smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC000851704147	969285707	/nfs/dbraw/zinc/28/57/07/969285707.db2.gz	SWZIGIUWAAKMJZ-XPUUQOCRSA-N	-2	0	393.278	0.065	20	5		GCBDRL
O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1ccc([N+](=O)[O-])cn1	ZINC001605970191	972975315	/nfs/dbraw/zinc/97/53/15/972975315.db2.gz	MKMWRGHEFYTBKP-WPRPVWTQSA-N	-2	0	390.274	0.726	20	5		GCBDRL
O=C([O-])[C@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC[C@@H]1C(=O)[O-]	ZINC000274979155	530868185	/nfs/dbraw/zinc/86/81/85/530868185.db2.gz	DAPBIBRUFFPKTN-YUMQZZPRSA-N	-2	0	376.318	0.530	20	5		GCBDRL
O=C([O-])[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@@H]1C(=O)[O-]	ZINC000274955432	530906325	/nfs/dbraw/zinc/90/63/25/530906325.db2.gz	AWEFVZGPAOSIDB-SFYZADRCSA-N	-2	0	376.318	0.530	20	5		GCBDRL
O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1C(=O)[O-]	ZINC000275170861	530906853	/nfs/dbraw/zinc/90/68/53/530906853.db2.gz	VKMLEQGOFMDBAR-BDAKNGLRSA-N	-2	0	376.318	0.530	20	5		GCBDRL
O=C([O-])C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)[O-]	ZINC000548531081	530878954	/nfs/dbraw/zinc/87/89/54/530878954.db2.gz	PKNQWNBUISNORP-SSDOTTSWSA-N	-2	0	397.159	0.564	20	5		GCBDRL
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](CC(=O)c2cccs2)C(=O)[O-])n1	ZINC000600656881	530931673	/nfs/dbraw/zinc/93/16/73/530931673.db2.gz	WOAFIGQHTFQPLK-SSDOTTSWSA-N	-2	0	388.383	0.394	20	5		GCBDRL
COC(=O)c1ccc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)c([N+](=O)[O-])c1	ZINC000737701873	599738798	/nfs/dbraw/zinc/73/87/98/599738798.db2.gz	JBYQITHBPDYHBF-UHFFFAOYSA-N	-2	0	384.326	0.463	20	5		GCBDRL
CC(C)(C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)n1cc([N+](=O)[O-])cn1	ZINC000736223302	599905130	/nfs/dbraw/zinc/90/51/30/599905130.db2.gz	IWHVRMCKJFATGO-UHFFFAOYSA-N	-2	0	396.381	0.871	20	5		GCBDRL
COC(=O)c1cc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc([N+](=O)[O-])c1	ZINC000831328616	600690414	/nfs/dbraw/zinc/69/04/14/600690414.db2.gz	WMQVXMXNGMGCHW-UHFFFAOYSA-N	-2	0	384.326	0.463	20	5		GCBDRL
CCn1cc(S(=O)(=O)[N-]c2nnc(CCCC(=O)[O-])s2)c([N+](=O)[O-])n1	ZINC000833683058	605052964	/nfs/dbraw/zinc/05/29/64/605052964.db2.gz	IGDONVOVLOCTMO-UHFFFAOYSA-N	-2	0	390.403	0.871	20	5		GCBDRL
CC(C)C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1)C(=O)[O-]	ZINC000824235653	608011019	/nfs/dbraw/zinc/01/10/19/608011019.db2.gz	JFZQAHQDLIRVQW-MRVPVSSYSA-N	-2	0	384.374	0.553	20	5		GCBDRL
O=C([O-])C1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CCCCC1	ZINC000826461150	608011682	/nfs/dbraw/zinc/01/16/82/608011682.db2.gz	HXXCYPJSCRAGMT-UHFFFAOYSA-N	-2	0	396.385	0.841	20	5		GCBDRL
CCc1nn(C)cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825762455	608295820	/nfs/dbraw/zinc/29/58/20/608295820.db2.gz	BXKITKVYNJCJQT-UHFFFAOYSA-N	-2	0	378.374	0.872	20	5		GCBDRL
CC(C)([N-]C(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000759404472	640548401	/nfs/dbraw/zinc/54/84/01/640548401.db2.gz	PYXQADOXKKCQFP-UHFFFAOYSA-N	-2	0	383.304	0.857	20	5		GCBDRL
COc1cc(S(=O)(=O)[N-]C(=O)CCCN(C)C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000832095620	642178687	/nfs/dbraw/zinc/17/86/87/642178687.db2.gz	ICAAFARCYCALJL-UHFFFAOYSA-N	-2	0	375.359	0.798	20	5		GCBDRL
CN(C)C(=O)Cn1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)n1	ZINC000471123304	1184210900	/nfs/dbraw/zinc/21/09/00/1184210900.db2.gz	FBEPFLYICIXKOT-UHFFFAOYSA-N	-2	0	397.369	0.379	20	5		GCBDRL
O=C([O-])[C@H]1CN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC[C@@H]1C(=O)[O-]	ZINC000275115147	1184520836	/nfs/dbraw/zinc/52/08/36/1184520836.db2.gz	NJWACDOXWIHQIY-RYUDHWBXSA-N	-2	0	386.382	0.574	20	5		GCBDRL
COc1c(F)cc(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])cc1[N+](=O)[O-]	ZINC000278574166	1186983013	/nfs/dbraw/zinc/98/30/13/1186983013.db2.gz	CRIRIRCLCYFERD-SECBINFHSA-N	-2	0	394.333	0.729	20	5		GCBDRL
CN(C)C(=O)Cn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cn1	ZINC000432177467	1189907208	/nfs/dbraw/zinc/90/72/08/1189907208.db2.gz	NBEBMPWFXJETEJ-UHFFFAOYSA-N	-2	0	397.369	0.379	20	5		GCBDRL
O=C(NCCO)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1[O-]	ZINC000436754766	1195034278	/nfs/dbraw/zinc/03/42/78/1195034278.db2.gz	JOUUXYXHXSNKRU-UHFFFAOYSA-N	-2	0	381.366	0.823	20	5		GCBDRL
O=C(Oc1cc([N+](=O)[O-])ccc1Br)[C@H](O)COP(=O)([O-])[O-]	ZINC001226586217	1195824834	/nfs/dbraw/zinc/82/48/34/1195824834.db2.gz	VJHAUJSWKVARPX-SSDOTTSWSA-N	-2	0	386.047	0.733	20	5		GCBDRL
O=C([O-])CN1CCCC[C@@H]([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1=O	ZINC001595097144	951828137	/nfs/dbraw/zinc/82/81/37/951828137.db2.gz	VPTRANKMUXZVLF-SNVBAGLBSA-N	-2	0	389.361	0.478	20	5		GCBDRL
Cn1cc(CN2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])c([N+](=O)[O-])n1	ZINC001574458609	961531754	/nfs/dbraw/zinc/53/17/54/961531754.db2.gz	VOTVFQPHCTXJOY-BDAKNGLRSA-N	-2	0	379.295	0.424	20	5		GCBDRL
O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)CC2)C1	ZINC000593920871	968493239	/nfs/dbraw/zinc/49/32/39/968493239.db2.gz	GVZWVCAMHJSICH-LLVKDONJSA-N	-2	0	377.353	0.838	20	5		GCBDRL
CC1CCN(c2ccc(C(=O)[N-]S(=O)(=O)CC(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC001594434607	999613926	/nfs/dbraw/zinc/61/39/26/999613926.db2.gz	ZWOHITVLJHCRCI-UHFFFAOYSA-N	-2	0	385.398	0.975	20	5		GCBDRL
Cc1sc(S(=O)(=O)N2CC[C@](CC(=O)[O-])(C(=O)[O-])C2)cc1[N+](=O)[O-]	ZINC000548575925	530883255	/nfs/dbraw/zinc/88/32/55/530883255.db2.gz	MKFVBNFKYPEOPK-GFCCVEGCSA-N	-2	0	378.384	0.905	20	5		GCBDRL
COC(=O)c1ccc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)c([N+](=O)[O-])c1	ZINC000737703480	600529884	/nfs/dbraw/zinc/52/98/84/600529884.db2.gz	XUHMRMHILFXDOI-UHFFFAOYSA-N	-2	0	384.326	0.463	20	5		GCBDRL
CN(CC(=O)[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000830676529	604731347	/nfs/dbraw/zinc/73/13/47/604731347.db2.gz	OHCFCEJRQHYZHC-UHFFFAOYSA-N	-2	0	396.175	0.772	20	5		GCBDRL
O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000776646529	641109478	/nfs/dbraw/zinc/10/94/78/641109478.db2.gz	XRXDPKLLCVPEBH-UHFFFAOYSA-N	-2	0	397.159	0.517	20	5		GCBDRL
O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC000776645600	641109571	/nfs/dbraw/zinc/10/95/71/641109571.db2.gz	OHJISJGSQZPXQE-UHFFFAOYSA-N	-2	0	397.159	0.517	20	5		GCBDRL
O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1	ZINC000776646528	641109579	/nfs/dbraw/zinc/10/95/79/641109579.db2.gz	XRASWOAIRYYSKU-UHFFFAOYSA-N	-2	0	397.159	0.517	20	5		GCBDRL
COc1cc(S(=O)(=O)[N-]C(=O)CCSCC(=O)[O-])ccc1[N+](=O)[O-]	ZINC000832097686	642179431	/nfs/dbraw/zinc/17/94/31/642179431.db2.gz	JDUXDZMSHNQIEM-UHFFFAOYSA-N	-2	0	378.384	0.616	20	5		GCBDRL
O=C([O-])[C@@H]1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C[C@@H]1C(=O)[O-]	ZINC000275115134	1184521094	/nfs/dbraw/zinc/52/10/94/1184521094.db2.gz	NJWACDOXWIHQIY-NEPJUHHUSA-N	-2	0	386.382	0.574	20	5		GCBDRL
COc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-]	ZINC000275129502	1184527640	/nfs/dbraw/zinc/52/76/40/1184527640.db2.gz	OYTMHIOPLODVGL-ZJUUUORDSA-N	-2	0	388.354	0.399	20	5		GCBDRL
Cc1cc(S(=O)(=O)N2CC[C@](CC(=O)[O-])(C(=O)[O-])C2)cc([N+](=O)[O-])c1F	ZINC000275142557	1184531389	/nfs/dbraw/zinc/53/13/89/1184531389.db2.gz	QLKPNXKKABYZSX-CQSZACIVSA-N	-2	0	390.345	0.982	20	5		GCBDRL
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@](CC(=O)[O-])(C(=O)[O-])C1	ZINC000275202510	1184550063	/nfs/dbraw/zinc/55/00/63/1184550063.db2.gz	YZPWNVKORPYJLM-AWEZNQCLSA-N	-2	0	388.354	0.544	20	5		GCBDRL
Cc1c([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])c(C)c1[N+](=O)[O-]	ZINC000277225432	1186299254	/nfs/dbraw/zinc/29/92/54/1186299254.db2.gz	IOEMSXSJGQLPFK-ZETCQYMHSA-N	-2	0	391.314	0.326	20	5		GCBDRL
CCn1cc(S(=O)(=O)NCCc2ccc(CC(=O)[O-])cc2)c([N+](=O)[O-])n1	ZINC000614346441	1193834466	/nfs/dbraw/zinc/83/44/66/1193834466.db2.gz	XUTQPIFSGGHIOF-UHFFFAOYSA-N	-2	0	382.398	0.959	20	5		GCBDRL
Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC000852957712	955889389	/nfs/dbraw/zinc/88/93/89/955889389.db2.gz	SLTPKVWIDZAWHJ-WPRPVWTQSA-N	-2	0	392.290	0.670	20	5		GCBDRL
O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1	ZINC000852957875	969301695	/nfs/dbraw/zinc/30/16/95/969301695.db2.gz	XWBAYJQTJNQEAR-IONNQARKSA-N	-2	0	378.263	0.659	20	5		GCBDRL
O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1	ZINC000852957873	969302088	/nfs/dbraw/zinc/30/20/88/969302088.db2.gz	XWBAYJQTJNQEAR-APPZFPTMSA-N	-2	0	378.263	0.659	20	5		GCBDRL
C[C@@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000600665872	975005117	/nfs/dbraw/zinc/00/51/17/975005117.db2.gz	ZHTNJIOHGFXCKA-ZYHUDNBSSA-N	-2	0	382.398	0.939	20	5		GCBDRL
C[C@@H]1SC[C@@H](C(=O)NCCC(=O)[O-])N1C(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC001594657089	986914635	/nfs/dbraw/zinc/91/46/35/986914635.db2.gz	HAPHULONMMVJRY-KWQFWETISA-N	-2	0	383.382	0.795	20	5		GCBDRL
C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cc(Br)cc([N+](=O)[O-])c1	ZINC001589492312	987063109	/nfs/dbraw/zinc/06/31/09/987063109.db2.gz	SIQMCLSBVBVZBA-YFKPBYRVSA-N	-2	0	381.160	0.890	20	5		GCBDRL
COc1cccc(C[C@@H]([N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])C(=O)[O-])c1	ZINC001599671249	994816224	/nfs/dbraw/zinc/81/62/24/994816224.db2.gz	DCHHKFXEEZEEFF-GFCCVEGCSA-N	-2	0	381.366	0.973	20	5		GCBDRL
Cc1nc([C@@H](C)[N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])sc1C(=O)[O-]	ZINC000600665453	530931273	/nfs/dbraw/zinc/93/12/73/530931273.db2.gz	RNXRRIYKLDXYSG-ZCFIWIBFSA-N	-2	0	375.388	0.831	20	5		GCBDRL
COc1c(F)cc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1[N+](=O)[O-]	ZINC000277213641	530913121	/nfs/dbraw/zinc/91/31/21/530913121.db2.gz	GYYZPGJJVZTNKY-QMMMGPOBSA-N	-2	0	380.306	0.339	20	5		GCBDRL
CCOC(=O)CC[C@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000278123048	530915764	/nfs/dbraw/zinc/91/57/64/530915764.db2.gz	LYMAENWUQAKJGP-VIFPVBQESA-N	-2	0	378.334	0.809	20	5		GCBDRL
Nc1cc(Cl)c(S(=O)(=O)[N-]C(=O)CSCC(=O)[O-])cc1[N+](=O)[O-]	ZINC000819130613	596959360	/nfs/dbraw/zinc/95/93/60/596959360.db2.gz	MECYPBVSNHRZDD-UHFFFAOYSA-N	-2	0	383.791	0.453	20	5		GCBDRL
CC(C)(C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)n1cc([N+](=O)[O-])cn1	ZINC000736223778	599905011	/nfs/dbraw/zinc/90/50/11/599905011.db2.gz	OKTOCVQJECIEMO-UHFFFAOYSA-N	-2	0	382.354	0.730	20	5		GCBDRL
COc1cc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c([N+](=O)[O-])cc1OC	ZINC000737849695	600464211	/nfs/dbraw/zinc/46/42/11/600464211.db2.gz	TZNFRJWAXNSYCD-UHFFFAOYSA-N	-2	0	376.343	0.536	20	5		GCBDRL
O=C([O-])c1ccc(-c2nnn(CC(=O)[N-]C(=O)c3cccc([N+](=O)[O-])c3)n2)cc1	ZINC000739369958	600990410	/nfs/dbraw/zinc/99/04/10/600990410.db2.gz	VHQIFJGAMRIGLE-UHFFFAOYSA-N	-2	0	396.319	0.903	20	5		GCBDRL
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nn(C)cc1-c1nn[nH]n1	ZINC000826272019	608267868	/nfs/dbraw/zinc/26/78/68/608267868.db2.gz	REMKZTAECXSCNH-UHFFFAOYSA-N	-2	0	380.346	0.323	20	5		GCBDRL
O=C([O-])C[C@@H](NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000776444750	641096237	/nfs/dbraw/zinc/09/62/37/641096237.db2.gz	OODDJNHOBTVPBF-ZCFIWIBFSA-N	-2	0	397.159	0.564	20	5		GCBDRL
CCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)COCC(=O)[O-]	ZINC000863962882	641256387	/nfs/dbraw/zinc/25/63/87/641256387.db2.gz	AVTPEIKTRLMTRG-UHFFFAOYSA-N	-2	0	375.359	0.323	20	5		GCBDRL
CC(C)([N-]C(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000847894889	642524548	/nfs/dbraw/zinc/52/45/48/642524548.db2.gz	QMMTYRJGSWKVQJ-UHFFFAOYSA-N	-2	0	384.292	0.252	20	5		GCBDRL
COc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-]	ZINC000275129498	1184527744	/nfs/dbraw/zinc/52/77/44/1184527744.db2.gz	OYTMHIOPLODVGL-NXEZZACHSA-N	-2	0	388.354	0.399	20	5		GCBDRL
COc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-]	ZINC000275129499	1184528001	/nfs/dbraw/zinc/52/80/01/1184528001.db2.gz	OYTMHIOPLODVGL-UWVGGRQHSA-N	-2	0	388.354	0.399	20	5		GCBDRL
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C1	ZINC000275159402	1184537069	/nfs/dbraw/zinc/53/70/69/1184537069.db2.gz	SYABGFMOEHTAGX-ZJUUUORDSA-N	-2	0	388.354	0.399	20	5		GCBDRL
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@](CC(=O)[O-])(C(=O)[O-])C1	ZINC000275202514	1184550091	/nfs/dbraw/zinc/55/00/91/1184550091.db2.gz	YZPWNVKORPYJLM-CQSZACIVSA-N	-2	0	388.354	0.544	20	5		GCBDRL
Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC000851704144	969286664	/nfs/dbraw/zinc/28/66/64/969286664.db2.gz	SWZIGIUWAAKMJZ-HTRCEHHLSA-N	-2	0	393.278	0.065	20	5		GCBDRL
Cc1noc(CN2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])c1[N+](=O)[O-]	ZINC001605449937	973534339	/nfs/dbraw/zinc/53/43/39/973534339.db2.gz	PTOIJAIQCUNDCQ-XVKPBYJWSA-N	-2	0	380.279	0.987	20	5		GCBDRL
Cc1noc(CN2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])c1[N+](=O)[O-]	ZINC001605449935	973534894	/nfs/dbraw/zinc/53/48/94/973534894.db2.gz	PTOIJAIQCUNDCQ-OIBJUYFYSA-N	-2	0	380.279	0.987	20	5		GCBDRL
CCc1ccc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)cc1[N+](=O)[O-]	ZINC000830232347	979015328	/nfs/dbraw/zinc/01/53/28/979015328.db2.gz	PNGMKTZVKWWTPR-UHFFFAOYSA-N	-2	0	385.398	0.928	20	5		GCBDRL
C[C@@H]1SC[C@H](C(=O)NCCC(=O)[O-])N1C(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC001594658759	986932945	/nfs/dbraw/zinc/93/29/45/986932945.db2.gz	QBKNVQHQXKUQKV-QPUJVOFHSA-N	-2	0	383.382	0.795	20	5		GCBDRL
C[C@@H]1SC[C@@H](C(=O)NCCC(=O)[O-])N1C(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC001594658760	986932979	/nfs/dbraw/zinc/93/29/79/986932979.db2.gz	QBKNVQHQXKUQKV-UFBFGSQYSA-N	-2	0	383.382	0.795	20	5		GCBDRL
C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC001589491510	987058951	/nfs/dbraw/zinc/05/89/51/987058951.db2.gz	KRDHBXOXEOLPSG-YFKPBYRVSA-N	-2	0	381.160	0.890	20	5		GCBDRL
O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000614366792	530309608	/nfs/dbraw/zinc/30/96/08/530309608.db2.gz	BGNWKSRKSUDRSW-UHFFFAOYSA-N	-2	0	397.159	0.517	20	5		GCBDRL
O=C([O-])c1ccc(S(=O)(=O)NCC2CCS(=O)(=O)CC2)c([N+](=O)[O-])c1	ZINC000580203001	530323537	/nfs/dbraw/zinc/32/35/37/530323537.db2.gz	YAESXYVRRQCGEX-UHFFFAOYSA-N	-2	0	392.411	0.396	20	5		GCBDRL
CCS(=O)(=O)C[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000572770452	530521352	/nfs/dbraw/zinc/52/13/52/530521352.db2.gz	UNKAHBGMIBMGCV-MRVPVSSYSA-N	-2	0	380.400	0.395	20	5		GCBDRL
Cc1nc(CCC[N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])sc1C(=O)[O-]	ZINC000600653080	530931278	/nfs/dbraw/zinc/93/12/78/530931278.db2.gz	ZZKCQFDWHGFHHC-UHFFFAOYSA-N	-2	0	389.415	0.703	20	5		GCBDRL
CCOc1cc([N+](=O)[O-])c(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cc1OC	ZINC000737194485	600461243	/nfs/dbraw/zinc/46/12/43/600461243.db2.gz	OIJHHLFCDNSNAM-UHFFFAOYSA-N	-2	0	390.370	0.927	20	5		GCBDRL
O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1	ZINC000739692138	600465919	/nfs/dbraw/zinc/46/59/19/600465919.db2.gz	MQRJYEWRHWKGFE-UHFFFAOYSA-N	-2	0	383.342	0.100	20	5		GCBDRL
Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000822491911	607154306	/nfs/dbraw/zinc/15/43/06/607154306.db2.gz	JKTLRIOJCDDTKW-UHFFFAOYSA-N	-2	0	378.374	0.926	20	5		GCBDRL
CC(C)(CCC(=O)[O-])NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000824152938	608011210	/nfs/dbraw/zinc/01/12/10/608011210.db2.gz	UYHUANSOGYQUBV-UHFFFAOYSA-N	-2	0	384.374	0.697	20	5		GCBDRL
O=C([O-])C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)C(=O)[O-]	ZINC000776442922	641096221	/nfs/dbraw/zinc/09/62/21/641096221.db2.gz	ALORYJOLZVSGER-ZETCQYMHSA-N	-2	0	397.159	0.564	20	5		GCBDRL
O=C([O-])C[C@H](NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000776445426	641096759	/nfs/dbraw/zinc/09/67/59/641096759.db2.gz	VSNHFSNREOXTTK-ZETCQYMHSA-N	-2	0	397.159	0.564	20	5		GCBDRL
O=C([O-])CC[C@@H](NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000837285703	642268506	/nfs/dbraw/zinc/26/85/06/642268506.db2.gz	XZASOIQFZJQQMY-SSDOTTSWSA-N	-2	0	384.725	0.984	20	5		GCBDRL
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C1	ZINC000275100446	1184507633	/nfs/dbraw/zinc/50/76/33/1184507633.db2.gz	LMIKESAWYHYCSX-UWVGGRQHSA-N	-2	0	388.354	0.399	20	5		GCBDRL
COc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC000275155542	1184533093	/nfs/dbraw/zinc/53/30/93/1184533093.db2.gz	SHAIHCBBZHAINE-NXEZZACHSA-N	-2	0	388.354	0.399	20	5		GCBDRL
Cn1cc(C[C@@H](C[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C(=O)[O-])cn1	ZINC000547887782	1184733957	/nfs/dbraw/zinc/73/39/57/1184733957.db2.gz	YLPIQTWQPLRLHR-JTQLQIEISA-N	-2	0	386.361	0.689	20	5		GCBDRL
O=C(Oc1ccc(Br)cc1[N+](=O)[O-])[C@H](O)COP(=O)([O-])[O-]	ZINC001225662436	1194452438	/nfs/dbraw/zinc/45/24/38/1194452438.db2.gz	TUYMSVJLTXTURT-SSDOTTSWSA-N	-2	0	386.047	0.733	20	5		GCBDRL
CC[C@H](C)[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1)C(=O)[O-]	ZINC000825679839	947290252	/nfs/dbraw/zinc/29/02/52/947290252.db2.gz	JNYIBLGJECLWAH-CPCISQLKSA-N	-2	0	384.374	0.553	20	5		GCBDRL
O=C([O-])CN1CCCC[C@H]([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1=O	ZINC001595097143	951827687	/nfs/dbraw/zinc/82/76/87/951827687.db2.gz	VPTRANKMUXZVLF-JTQLQIEISA-N	-2	0	389.361	0.478	20	5		GCBDRL
O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1	ZINC000852958356	969303001	/nfs/dbraw/zinc/30/30/01/969303001.db2.gz	JYGLYRMSGJGKJQ-MUWHJKNJSA-N	-2	0	378.263	0.659	20	5		GCBDRL
O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1ccc([N+](=O)[O-])cn1	ZINC001605970189	972975468	/nfs/dbraw/zinc/97/54/68/972975468.db2.gz	MKMWRGHEFYTBKP-SCZZXKLOSA-N	-2	0	390.274	0.726	20	5		GCBDRL
O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1ccc([N+](=O)[O-])cn1	ZINC001605970188	972975589	/nfs/dbraw/zinc/97/55/89/972975589.db2.gz	MKMWRGHEFYTBKP-PSASIEDQSA-N	-2	0	390.274	0.726	20	5		GCBDRL
Cc1noc(CN2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])c1[N+](=O)[O-]	ZINC001605449934	973534472	/nfs/dbraw/zinc/53/44/72/973534472.db2.gz	PTOIJAIQCUNDCQ-GMSGAONNSA-N	-2	0	380.279	0.987	20	5		GCBDRL
O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1	ZINC000739696379	978650044	/nfs/dbraw/zinc/65/00/44/978650044.db2.gz	RZBYUZKTNYZDJC-UHFFFAOYSA-N	-2	0	383.342	0.100	20	5		GCBDRL
C[C@H]1SC[C@H](C(=O)NCCC(=O)[O-])N1C(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC001594658758	986933112	/nfs/dbraw/zinc/93/31/12/986933112.db2.gz	QBKNVQHQXKUQKV-PRHODGIISA-N	-2	0	383.382	0.795	20	5		GCBDRL
O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000577719672	530118596	/nfs/dbraw/zinc/11/85/96/530118596.db2.gz	DNAKWQXCVOSFCY-UHFFFAOYSA-N	-2	0	386.260	0.774	20	5		GCBDRL
O=C([O-])C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000560896538	530184055	/nfs/dbraw/zinc/18/40/55/530184055.db2.gz	GKLCTXOBIBUFLG-ZCFIWIBFSA-N	-2	0	386.260	0.820	20	5		GCBDRL
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-]	ZINC000278625144	530234733	/nfs/dbraw/zinc/23/47/33/530234733.db2.gz	HQRZWHIJMCCEPX-SECBINFHSA-N	-2	0	376.343	0.590	20	5		GCBDRL
O=C([O-])C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1	ZINC000275099259	530848062	/nfs/dbraw/zinc/84/80/62/530848062.db2.gz	LKBRMSAEQBKFPZ-ZDUSSCGKSA-N	-2	0	376.318	0.674	20	5		GCBDRL
COc1ccc(S(=O)(=O)[N-]C(=O)CCCN(C)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000738061706	599912397	/nfs/dbraw/zinc/91/23/97/599912397.db2.gz	GPYGYNVRCIHOAK-UHFFFAOYSA-N	-2	0	375.359	0.798	20	5		GCBDRL
COc1cc(OCC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])ccc1[N+](=O)[O-]	ZINC000737902937	600461150	/nfs/dbraw/zinc/46/11/50/600461150.db2.gz	QPFYLFNGMLTEPT-UHFFFAOYSA-N	-2	0	376.343	0.293	20	5		GCBDRL
COC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])cn1	ZINC000737631885	600529775	/nfs/dbraw/zinc/52/97/75/600529775.db2.gz	WESOUTHCPMPQTO-UHFFFAOYSA-N	-2	0	384.326	0.463	20	5		GCBDRL
O=C([O-])COc1cccc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])nc2)c1	ZINC000833259339	601144008	/nfs/dbraw/zinc/14/40/08/601144008.db2.gz	DLMMOFCAPGQYGL-UHFFFAOYSA-N	-2	0	381.322	0.572	20	5		GCBDRL
O=C([O-])NCC(=O)[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1	ZINC000833279452	604731500	/nfs/dbraw/zinc/73/15/00/604731500.db2.gz	IADFKRJCHJFQHT-UHFFFAOYSA-N	-2	0	382.148	0.430	20	5		GCBDRL
CC(C)C[C@H](NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000833492716	605210411	/nfs/dbraw/zinc/21/04/11/605210411.db2.gz	QCDUTYYGSHSEPW-JTQLQIEISA-N	-2	0	391.377	0.628	20	5		GCBDRL
NC(=O)c1sccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000822890165	607003454	/nfs/dbraw/zinc/00/34/54/607003454.db2.gz	NODDYZABGYXDTE-UHFFFAOYSA-N	-2	0	395.382	0.736	20	5		GCBDRL
Cn1cc(-c2nn[nH]n2)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)n1	ZINC000822622920	607156019	/nfs/dbraw/zinc/15/60/19/607156019.db2.gz	KHGDCOISHRDNHH-UHFFFAOYSA-N	-2	0	394.329	0.007	20	5		GCBDRL
O=C([O-])C[C@@H](CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000837290147	642269552	/nfs/dbraw/zinc/26/95/52/642269552.db2.gz	PKCFLHPPSILARA-YFKPBYRVSA-N	-2	0	384.725	0.841	20	5		GCBDRL
CN(C)C(=O)Cn1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cn1	ZINC000471126072	1184216829	/nfs/dbraw/zinc/21/68/29/1184216829.db2.gz	VQTCSBCROPIEOG-UHFFFAOYSA-N	-2	0	397.369	0.379	20	5		GCBDRL
COc1ccc(S(=O)(=O)N2CC[C@@](CC(=O)[O-])(C(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC000275101316	1184509624	/nfs/dbraw/zinc/50/96/24/1184509624.db2.gz	LPZBQPYLQKBDGN-AWEZNQCLSA-N	-2	0	388.354	0.544	20	5		GCBDRL
NC(=O)C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000571392943	530507280	/nfs/dbraw/zinc/50/72/80/530507280.db2.gz	NNHVEEVGQQKJCR-ZCFIWIBFSA-N	-2	0	386.169	0.509	20	5		GCBDRL
O=C([O-])[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC[C@@H]1C(=O)[O-]	ZINC000275170865	530906996	/nfs/dbraw/zinc/90/69/96/530906996.db2.gz	VKMLEQGOFMDBAR-IUCAKERBSA-N	-2	0	376.318	0.530	20	5		GCBDRL
CCO[C@@H]1C[C@]([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])(C(=O)[O-])C1(C)C	ZINC000600653829	530931341	/nfs/dbraw/zinc/93/13/41/530931341.db2.gz	OMPDNEHUXTVCNR-RNCFNFMXSA-N	-2	0	376.391	0.265	20	5		GCBDRL
CCO[C@H]1C[C@]([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])(C(=O)[O-])C1(C)C	ZINC000600653831	530931354	/nfs/dbraw/zinc/93/13/54/530931354.db2.gz	OMPDNEHUXTVCNR-ZANVPECISA-N	-2	0	376.391	0.265	20	5		GCBDRL
O=C([O-])[C@H]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@H]1C(=O)[O-]	ZINC000274955428	531023107	/nfs/dbraw/zinc/02/31/07/531023107.db2.gz	AWEFVZGPAOSIDB-JGVFFNPUSA-N	-2	0	376.318	0.530	20	5		GCBDRL
COc1cc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)ccc1[N+](=O)[O-]	ZINC000737849647	599797767	/nfs/dbraw/zinc/79/77/67/599797767.db2.gz	SAAJHJLDNDKDOC-UHFFFAOYSA-N	-2	0	387.370	0.375	20	5		GCBDRL
O=C([O-])CCCS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000739692523	600463030	/nfs/dbraw/zinc/46/30/30/600463030.db2.gz	QUWFPDWHWUSPBR-UHFFFAOYSA-N	-2	0	387.370	0.026	20	5		GCBDRL
Cn1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2NCCO)cc1C(=O)[O-]	ZINC000501999740	600810723	/nfs/dbraw/zinc/81/07/23/600810723.db2.gz	HRKJJITWMJAQHL-UHFFFAOYSA-N	-2	0	384.370	0.837	20	5		GCBDRL
O=C([O-])[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1	ZINC000833179056	604731428	/nfs/dbraw/zinc/73/14/28/604731428.db2.gz	LMGQKTGUASGUSX-RQJHMYQMSA-N	-2	0	393.171	0.883	20	5		GCBDRL
CC(C)C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1)C(=O)[O-]	ZINC000824235655	608011086	/nfs/dbraw/zinc/01/10/86/608011086.db2.gz	JFZQAHQDLIRVQW-QMMMGPOBSA-N	-2	0	384.374	0.553	20	5		GCBDRL
CC(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1Cl	ZINC000863955168	641253436	/nfs/dbraw/zinc/25/34/36/641253436.db2.gz	BUUCOEFMFKCOPU-JTQLQIEISA-N	-2	0	379.778	0.992	20	5		GCBDRL
COc1ccc(S(=O)(=O)N2CC[C@@](CC(=O)[O-])(C(=O)[O-])C2)cc1[N+](=O)[O-]	ZINC000274968615	1184442575	/nfs/dbraw/zinc/44/25/75/1184442575.db2.gz	CBGMZGOGKDRGAV-AWEZNQCLSA-N	-2	0	388.354	0.544	20	5		GCBDRL
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C1	ZINC000275100452	1184508781	/nfs/dbraw/zinc/50/87/81/1184508781.db2.gz	LMIKESAWYHYCSX-VHSXEESVSA-N	-2	0	388.354	0.399	20	5		GCBDRL
CNC(=O)c1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C(=O)[O-])cn1C	ZINC000548225506	1185898152	/nfs/dbraw/zinc/89/81/52/1185898152.db2.gz	NOHPJNZXPHTSFL-UHFFFAOYSA-N	-2	0	382.354	0.792	20	5		GCBDRL
Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC000852957710	955888466	/nfs/dbraw/zinc/88/84/66/955888466.db2.gz	SLTPKVWIDZAWHJ-SCZZXKLOSA-N	-2	0	392.290	0.670	20	5		GCBDRL
O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1	ZINC000852958354	969302928	/nfs/dbraw/zinc/30/29/28/969302928.db2.gz	JYGLYRMSGJGKJQ-HZGVNTEJSA-N	-2	0	378.263	0.659	20	5		GCBDRL
C[C@@H]1SC[C@H](C(=O)NCCC(=O)[O-])N1C(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC001594657085	986915080	/nfs/dbraw/zinc/91/50/80/986915080.db2.gz	HAPHULONMMVJRY-GZMMTYOYSA-N	-2	0	383.382	0.795	20	5		GCBDRL
CCn1ncn([N-]C(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])c1=O	ZINC001597967684	990008341	/nfs/dbraw/zinc/00/83/41/990008341.db2.gz	ANLHTXWWDJKMGT-UHFFFAOYSA-N	-2	0	381.370	0.924	20	5		GCBDRL
O=C([O-])C[C@H](NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000614313083	530309724	/nfs/dbraw/zinc/30/97/24/530309724.db2.gz	QGHXOJJUFDJLSA-LURJTMIESA-N	-2	0	397.159	0.564	20	5		GCBDRL
O=C([O-])C[C@@H](NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000614313084	530309772	/nfs/dbraw/zinc/30/97/72/530309772.db2.gz	QGHXOJJUFDJLSA-ZCFIWIBFSA-N	-2	0	397.159	0.564	20	5		GCBDRL
O=C([O-])C[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1	ZINC000275099257	530852676	/nfs/dbraw/zinc/85/26/76/530852676.db2.gz	LKBRMSAEQBKFPZ-CYBMUJFWSA-N	-2	0	376.318	0.674	20	5		GCBDRL
O=C([O-])C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)[O-]	ZINC000274910103	530905411	/nfs/dbraw/zinc/90/54/11/530905411.db2.gz	KLYHWBJJFUUMHO-ZETCQYMHSA-N	-2	0	386.260	0.820	20	5		GCBDRL
CC(C)=CCSC[C@@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000600656033	530931312	/nfs/dbraw/zinc/93/13/12/530931312.db2.gz	VLNVHWMSEGYLDX-SECBINFHSA-N	-2	0	378.432	0.759	20	5		GCBDRL
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-]	ZINC000278803524	530916687	/nfs/dbraw/zinc/91/66/87/530916687.db2.gz	WISYDEPFYKCTDQ-SECBINFHSA-N	-2	0	376.343	0.590	20	5		GCBDRL
O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000739696185	600463065	/nfs/dbraw/zinc/46/30/65/600463065.db2.gz	JLOGBHMDIPJUHK-UHFFFAOYSA-N	-2	0	382.354	0.705	20	5		GCBDRL
Cc1c(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])nnn1-c1cccc([N+](=O)[O-])c1	ZINC000738260510	600465646	/nfs/dbraw/zinc/46/56/46/600465646.db2.gz	NVHHDMOILVUSHI-UHFFFAOYSA-N	-2	0	397.369	0.408	20	5		GCBDRL
C[C@@H](NC(=O)c1ccc(NCCCc2n[nH]c(=O)[n-]2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000827702928	601446047	/nfs/dbraw/zinc/44/60/47/601446047.db2.gz	DKXHUHWOWJVAJN-MRVPVSSYSA-N	-2	0	378.345	0.666	20	5		GCBDRL
Cn1cc(-c2nn[nH]n2)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1	ZINC000822622904	606709770	/nfs/dbraw/zinc/70/97/70/606709770.db2.gz	JVTDRSPKIILTAQ-UHFFFAOYSA-N	-2	0	394.329	0.007	20	5		GCBDRL
O=C([O-])C[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C1	ZINC000826461195	608011409	/nfs/dbraw/zinc/01/14/09/608011409.db2.gz	KGPZCFNMVPIFRQ-VIFPVBQESA-N	-2	0	396.385	0.650	20	5		GCBDRL
Cn1ncc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)c1C(=O)[O-]	ZINC000826366442	608396106	/nfs/dbraw/zinc/39/61/06/608396106.db2.gz	IEIXLBRKPOFXJW-UHFFFAOYSA-N	-3	0	394.329	0.007	20	5		GCBDRL
CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825067035	608473120	/nfs/dbraw/zinc/47/31/20/608473120.db2.gz	GNEGSBPBALOFGD-QMMMGPOBSA-N	-2	0	384.374	0.649	20	5		GCBDRL
COc1cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)ccc1[N+](=O)[O-]	ZINC000274952317	1184441683	/nfs/dbraw/zinc/44/16/83/1184441683.db2.gz	ANFNBEQUYNNINU-ZJUUUORDSA-N	-2	0	388.354	0.399	20	5		GCBDRL
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C1	ZINC000275100439	1184506747	/nfs/dbraw/zinc/50/67/47/1184506747.db2.gz	LMIKESAWYHYCSX-NXEZZACHSA-N	-2	0	388.354	0.399	20	5		GCBDRL
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C1	ZINC000275154661	1184533399	/nfs/dbraw/zinc/53/33/99/1184533399.db2.gz	SDXCGLSRZPQNFQ-NEPJUHHUSA-N	-2	0	386.382	0.953	20	5		GCBDRL
Cn1cc(C[C@H](C[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C(=O)[O-])cn1	ZINC000547887783	1184734109	/nfs/dbraw/zinc/73/41/09/1184734109.db2.gz	YLPIQTWQPLRLHR-SNVBAGLBSA-N	-2	0	386.361	0.689	20	5		GCBDRL
O=C(c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1[O-])N1CC(O)C1	ZINC000436851523	1195042412	/nfs/dbraw/zinc/04/24/12/1195042412.db2.gz	LZRBOKJPQQVCDH-UHFFFAOYSA-N	-2	0	393.377	0.918	20	5		GCBDRL
Cn1ncc([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1C(=O)[O-]	ZINC000536991288	1197587629	/nfs/dbraw/zinc/58/76/29/1197587629.db2.gz	IBXQHHZHBDAOIE-UHFFFAOYSA-N	-2	0	384.326	0.599	20	5		GCBDRL
O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)CC2)C1	ZINC000593920872	968493430	/nfs/dbraw/zinc/49/34/30/968493430.db2.gz	GVZWVCAMHJSICH-NSHDSACASA-N	-2	0	377.353	0.838	20	5		GCBDRL
O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1	ZINC000852958357	969303215	/nfs/dbraw/zinc/30/32/15/969303215.db2.gz	JYGLYRMSGJGKJQ-RCOVLWMOSA-N	-2	0	378.263	0.659	20	5		GCBDRL
COc1cccc(C[C@H]([N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])C(=O)[O-])c1	ZINC001599671250	994816725	/nfs/dbraw/zinc/81/67/25/994816725.db2.gz	DCHHKFXEEZEEFF-LBPRGKRZSA-N	-2	0	381.366	0.973	20	5		GCBDRL
C[C@@H]1CCCN(c2ccc(C(=O)[N-]S(=O)(=O)CC(=O)[O-])cc2[N+](=O)[O-])C1	ZINC001594389517	999475946	/nfs/dbraw/zinc/47/59/46/999475946.db2.gz	QQBAZPVKGLOEFO-SNVBAGLBSA-N	-2	0	385.398	0.975	20	5		GCBDRL
CCCc1[nH]nc(C(=O)[N-]c2nnc([N-]S(C)(=O)=O)s2)c1[N+](=O)[O-]	ZINC000265676943	530122207	/nfs/dbraw/zinc/12/22/07/530122207.db2.gz	UTIFGCSCFZANCS-UHFFFAOYSA-N	-2	0	375.392	0.746	20	5		GCBDRL
O=C([O-])[C@@H]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H]1C(=O)[O-]	ZINC000274979149	530869701	/nfs/dbraw/zinc/86/97/01/530869701.db2.gz	DAPBIBRUFFPKTN-HTQZYQBOSA-N	-2	0	376.318	0.530	20	5		GCBDRL
O=C([O-])[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@H]1C(=O)[O-]	ZINC000274955425	530906081	/nfs/dbraw/zinc/90/60/81/530906081.db2.gz	AWEFVZGPAOSIDB-HTQZYQBOSA-N	-2	0	376.318	0.530	20	5		GCBDRL
O=C([O-])C[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1	ZINC000275192458	530906779	/nfs/dbraw/zinc/90/67/79/530906779.db2.gz	XZIOCAQCVFCRJG-CYBMUJFWSA-N	-2	0	376.318	0.674	20	5		GCBDRL
O=C([O-])C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1	ZINC000275192459	530906875	/nfs/dbraw/zinc/90/68/75/530906875.db2.gz	XZIOCAQCVFCRJG-ZDUSSCGKSA-N	-2	0	376.318	0.674	20	5		GCBDRL
CCO[C@@H]1C[C@@]([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])(C(=O)[O-])C1(C)C	ZINC000600653828	530931388	/nfs/dbraw/zinc/93/13/88/530931388.db2.gz	OMPDNEHUXTVCNR-NOZJJQNGSA-N	-2	0	376.391	0.265	20	5		GCBDRL
COc1cc(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000278700615	530916920	/nfs/dbraw/zinc/91/69/20/530916920.db2.gz	NIPSFHBNKNKVOL-SECBINFHSA-N	-2	0	376.343	0.590	20	5		GCBDRL
COc1ccc(S(=O)(=O)[N-]C(=O)[C@H](NC(=O)[O-])C(C)C)c([N+](=O)[O-])c1	ZINC000738062174	599883916	/nfs/dbraw/zinc/88/39/16/599883916.db2.gz	RKSSLEOCTOCAPC-LLVKDONJSA-N	-2	0	375.359	0.701	20	5		GCBDRL
COC(=O)Cn1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cn1	ZINC000831192642	600690659	/nfs/dbraw/zinc/69/06/59/600690659.db2.gz	QGVHDLCNWDHZRW-UHFFFAOYSA-N	-2	0	384.326	0.463	20	5		GCBDRL
Nc1cc(Cl)c(S(=O)(=O)[N-]C(=O)CCSCC(=O)[O-])cc1[N+](=O)[O-]	ZINC000833090435	601599196	/nfs/dbraw/zinc/59/91/96/601599196.db2.gz	LBTBEKRIVYCOPV-UHFFFAOYSA-N	-2	0	397.818	0.843	20	5		GCBDRL
CCn1cc(S(=O)(=O)[N-]c2ccc(C(=O)NCC(=O)[O-])cc2)c([N+](=O)[O-])n1	ZINC000830424506	604665771	/nfs/dbraw/zinc/66/57/71/604665771.db2.gz	VNZIJODDBGOOFJ-UHFFFAOYSA-N	-2	0	397.369	0.426	20	5		GCBDRL
O=C([O-])C1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CCCC1	ZINC000826461439	608010847	/nfs/dbraw/zinc/01/08/47/608010847.db2.gz	VERFFNDMFJTSDS-UHFFFAOYSA-N	-2	0	382.358	0.451	20	5		GCBDRL
O=C([O-])C[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C1	ZINC000826461194	608011433	/nfs/dbraw/zinc/01/14/33/608011433.db2.gz	KGPZCFNMVPIFRQ-SECBINFHSA-N	-2	0	396.385	0.650	20	5		GCBDRL
CC(C)([N-]C(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1	ZINC000759495050	640549944	/nfs/dbraw/zinc/54/99/44/640549944.db2.gz	JBAKBZOHPVCDCV-UHFFFAOYSA-N	-2	0	389.333	0.918	20	5		GCBDRL
O=C([O-])C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)C(=O)[O-]	ZINC000776442920	641096351	/nfs/dbraw/zinc/09/63/51/641096351.db2.gz	ALORYJOLZVSGER-SSDOTTSWSA-N	-2	0	397.159	0.564	20	5		GCBDRL
Nc1cc(Cl)c(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C2CC2)cc1[N+](=O)[O-]	ZINC000863955577	641253404	/nfs/dbraw/zinc/25/34/04/641253404.db2.gz	QJYZRQYMMKESQY-JTQLQIEISA-N	-2	0	377.762	0.746	20	5		GCBDRL
CC(C)([N-]C(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-]	ZINC000851328418	642716906	/nfs/dbraw/zinc/71/69/06/642716906.db2.gz	GXZGXLMABUCSQU-UHFFFAOYSA-N	-2	0	384.292	0.252	20	5		GCBDRL
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@](CC(=O)[O-])(C(=O)[O-])C1	ZINC000275081617	1184501071	/nfs/dbraw/zinc/50/10/71/1184501071.db2.gz	IUVGKPMCTVSEMN-AWEZNQCLSA-N	-2	0	388.354	0.544	20	5		GCBDRL
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C1	ZINC000275154663	1184533246	/nfs/dbraw/zinc/53/32/46/1184533246.db2.gz	SDXCGLSRZPQNFQ-RYUDHWBXSA-N	-2	0	386.382	0.953	20	5		GCBDRL
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C1	ZINC000275159395	1184536833	/nfs/dbraw/zinc/53/68/33/1184536833.db2.gz	SYABGFMOEHTAGX-NXEZZACHSA-N	-2	0	388.354	0.399	20	5		GCBDRL
Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC000851704146	969286650	/nfs/dbraw/zinc/28/66/50/969286650.db2.gz	SWZIGIUWAAKMJZ-SVRRBLITSA-N	-2	0	393.278	0.065	20	5		GCBDRL
C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC001589491509	987059244	/nfs/dbraw/zinc/05/92/44/987059244.db2.gz	KRDHBXOXEOLPSG-RXMQYKEDSA-N	-2	0	381.160	0.890	20	5		GCBDRL
O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC000274943638	530906012	/nfs/dbraw/zinc/90/60/12/530906012.db2.gz	GTOHMJYFMYQCFP-UHFFFAOYSA-N	-2	0	386.260	0.774	20	5		GCBDRL
Cc1sc(S(=O)(=O)N2CC[C@@](CC(=O)[O-])(C(=O)[O-])C2)cc1[N+](=O)[O-]	ZINC000548575926	530883545	/nfs/dbraw/zinc/88/35/45/530883545.db2.gz	MKFVBNFKYPEOPK-LBPRGKRZSA-N	-2	0	378.384	0.905	20	5		GCBDRL
COc1c(F)cc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])cc1[N+](=O)[O-]	ZINC000276871532	530912134	/nfs/dbraw/zinc/91/21/34/530912134.db2.gz	CVWIEDCPFZARJZ-LURJTMIESA-N	-2	0	380.306	0.196	20	5		GCBDRL
COc1ccc(S(=O)(=O)[N-]C(=O)CCSCC(=O)[O-])c([N+](=O)[O-])c1	ZINC000738061610	599797151	/nfs/dbraw/zinc/79/71/51/599797151.db2.gz	CBDMIMNHLKZXMT-UHFFFAOYSA-N	-2	0	378.384	0.616	20	5		GCBDRL
Cn1cc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000739023147	600460742	/nfs/dbraw/zinc/46/07/42/600460742.db2.gz	OSNQUTYRYFZEAW-UHFFFAOYSA-N	-2	0	396.381	0.920	20	5		GCBDRL
O=C([O-])C1([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCS(=O)(=O)CC1	ZINC000833175535	601808513	/nfs/dbraw/zinc/80/85/13/601808513.db2.gz	GJSUXJYDLIEZNW-UHFFFAOYSA-N	-2	0	396.374	0.044	20	5		GCBDRL
O=C([O-])NCCC(=O)[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1	ZINC000833280002	604731417	/nfs/dbraw/zinc/73/14/17/604731417.db2.gz	SEQWMXIEWKATST-UHFFFAOYSA-N	-2	0	396.175	0.820	20	5		GCBDRL
COc1cc(S(=O)(=O)[N-]C(=O)[C@H](NC(=O)[O-])C(C)C)ccc1[N+](=O)[O-]	ZINC000829216981	604738453	/nfs/dbraw/zinc/73/84/53/604738453.db2.gz	GVGSFOUXHYNBGF-LLVKDONJSA-N	-2	0	375.359	0.701	20	5		GCBDRL
O=C([O-])C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CC1	ZINC000826461545	608010965	/nfs/dbraw/zinc/01/09/65/608010965.db2.gz	ZBWRJGBBEHXNIJ-UHFFFAOYSA-N	-2	0	382.358	0.260	20	5		GCBDRL
CC(C)([N-]C(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1	ZINC000759559463	640553332	/nfs/dbraw/zinc/55/33/32/640553332.db2.gz	QNNNOZRWYXQGFR-UHFFFAOYSA-N	-2	0	384.292	0.252	20	5		GCBDRL
Cc1cc(S(=O)(=O)N2CC[C@@](CC(=O)[O-])(C(=O)[O-])C2)cc([N+](=O)[O-])c1F	ZINC000275142555	1184531767	/nfs/dbraw/zinc/53/17/67/1184531767.db2.gz	QLKPNXKKABYZSX-AWEZNQCLSA-N	-2	0	390.345	0.982	20	5		GCBDRL
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C1	ZINC000275159398	1184536710	/nfs/dbraw/zinc/53/67/10/1184536710.db2.gz	SYABGFMOEHTAGX-UWVGGRQHSA-N	-2	0	388.354	0.399	20	5		GCBDRL
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cnn(CC(=O)N(C)C)c1	ZINC000508211223	1195906592	/nfs/dbraw/zinc/90/65/92/1195906592.db2.gz	JQNMIUIUZQNGMN-UHFFFAOYSA-N	-2	0	383.386	0.694	20	5		GCBDRL
Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC000852957709	955889423	/nfs/dbraw/zinc/88/94/23/955889423.db2.gz	SLTPKVWIDZAWHJ-PSASIEDQSA-N	-2	0	392.290	0.670	20	5		GCBDRL
Cn1cc(CN2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])c([N+](=O)[O-])n1	ZINC001574458614	961531882	/nfs/dbraw/zinc/53/18/82/961531882.db2.gz	VOTVFQPHCTXJOY-DTWKUNHWSA-N	-2	0	379.295	0.424	20	5		GCBDRL
O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1	ZINC000852958355	969302842	/nfs/dbraw/zinc/30/28/42/969302842.db2.gz	JYGLYRMSGJGKJQ-IMTBSYHQSA-N	-2	0	378.263	0.659	20	5		GCBDRL
Cc1noc(CN2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])c1[N+](=O)[O-]	ZINC001605449936	973534982	/nfs/dbraw/zinc/53/49/82/973534982.db2.gz	PTOIJAIQCUNDCQ-XCBNKYQSSA-N	-2	0	380.279	0.987	20	5		GCBDRL
C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cc(Br)cc([N+](=O)[O-])c1	ZINC001589492311	987062372	/nfs/dbraw/zinc/06/23/72/987062372.db2.gz	SIQMCLSBVBVZBA-RXMQYKEDSA-N	-2	0	381.160	0.890	20	5		GCBDRL
O=C([O-])C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)[O-]	ZINC000274910101	530905545	/nfs/dbraw/zinc/90/55/45/530905545.db2.gz	KLYHWBJJFUUMHO-SSDOTTSWSA-N	-2	0	386.260	0.820	20	5		GCBDRL
CN(C)C(=O)Cn1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])cn1	ZINC000737350021	600099262	/nfs/dbraw/zinc/09/92/62/600099262.db2.gz	PERJAOVYVHFFRG-UHFFFAOYSA-N	-2	0	397.369	0.379	20	5		GCBDRL
CCOc1cc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c([N+](=O)[O-])cc1OC	ZINC000737185240	600466435	/nfs/dbraw/zinc/46/64/35/600466435.db2.gz	GFOXUEVHMFJEOD-UHFFFAOYSA-N	-2	0	390.370	0.927	20	5		GCBDRL
O=C([O-])C[C@H](NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000776444749	641096252	/nfs/dbraw/zinc/09/62/52/641096252.db2.gz	OODDJNHOBTVPBF-LURJTMIESA-N	-2	0	397.159	0.564	20	5		GCBDRL
O=C([O-])C[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)[O-]	ZINC000776443221	641096272	/nfs/dbraw/zinc/09/62/72/641096272.db2.gz	DQJMYMRAFIVJLQ-ZETCQYMHSA-N	-2	0	397.159	0.564	20	5		GCBDRL
O=C([O-])COCC(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000863963153	641256501	/nfs/dbraw/zinc/25/65/01/641256501.db2.gz	MGVQAOLLMMDKTB-UHFFFAOYSA-N	-2	0	386.260	0.520	20	5		GCBDRL
O=C([O-])[C@@H]1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C[C@H]1C(=O)[O-]	ZINC000275115154	1184520810	/nfs/dbraw/zinc/52/08/10/1184520810.db2.gz	NJWACDOXWIHQIY-VXGBXAGGSA-N	-2	0	386.382	0.574	20	5		GCBDRL
COc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC000275155544	1184534262	/nfs/dbraw/zinc/53/42/62/1184534262.db2.gz	SHAIHCBBZHAINE-VHSXEESVSA-N	-2	0	388.354	0.399	20	5		GCBDRL
Cc1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)cc([N+](=O)[O-])c1F	ZINC000275193641	1184546806	/nfs/dbraw/zinc/54/68/06/1184546806.db2.gz	YBXRCMXHKXQZKY-UWVGGRQHSA-N	-2	0	390.345	0.838	20	5		GCBDRL
Cc1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)cc([N+](=O)[O-])c1F	ZINC000275193643	1184547489	/nfs/dbraw/zinc/54/74/89/1184547489.db2.gz	YBXRCMXHKXQZKY-VHSXEESVSA-N	-2	0	390.345	0.838	20	5		GCBDRL
Cc1c([N+](=O)[O-])cc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])c(C)c1[N+](=O)[O-]	ZINC000277225428	1186299091	/nfs/dbraw/zinc/29/90/91/1186299091.db2.gz	IOEMSXSJGQLPFK-SSDOTTSWSA-N	-2	0	391.314	0.326	20	5		GCBDRL
CN(C)C(=O)Cn1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1	ZINC000432185887	1189910613	/nfs/dbraw/zinc/91/06/13/1189910613.db2.gz	JDGUHJRWLUMKJT-UHFFFAOYSA-N	-2	0	397.369	0.379	20	5		GCBDRL
COc1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)ccc1[N+](=O)[O-]	ZINC000274952315	1197471483	/nfs/dbraw/zinc/47/14/83/1197471483.db2.gz	ANFNBEQUYNNINU-VHSXEESVSA-N	-2	0	388.354	0.399	20	5		GCBDRL
O=C([O-])c1cc([N+](=O)[O-])c(=O)n(CC2=Nc3ccccc3S(=O)(=O)[N-]2)c1	ZINC000740089953	978668113	/nfs/dbraw/zinc/66/81/13/978668113.db2.gz	PKLXMXSXIQXKKU-UHFFFAOYSA-N	-2	0	378.322	0.477	20	5		GCBDRL
O=C([O-])C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1	ZINC000275171956	530907094	/nfs/dbraw/zinc/90/70/94/530907094.db2.gz	VLXHGUAOGXWWKN-ZDUSSCGKSA-N	-2	0	376.318	0.674	20	5		GCBDRL
COc1ccc(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])cc1[N+](=O)[O-]	ZINC000278822040	530916773	/nfs/dbraw/zinc/91/67/73/530916773.db2.gz	XWMVUUGSLDOUDG-SECBINFHSA-N	-2	0	376.343	0.590	20	5		GCBDRL
O=C([O-])CNC(=O)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000548198746	531087343	/nfs/dbraw/zinc/08/73/43/531087343.db2.gz	HIEGYNKTAYODMQ-UHFFFAOYSA-N	-2	0	386.169	0.381	20	5		GCBDRL
O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1	ZINC000739453545	600023085	/nfs/dbraw/zinc/02/30/85/600023085.db2.gz	KNJOQJJQKZMSBP-UHFFFAOYSA-N	-2	0	375.334	0.505	20	5		GCBDRL
O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1	ZINC000739696121	600462045	/nfs/dbraw/zinc/46/20/45/600462045.db2.gz	CXVOENLIAOLCJR-UHFFFAOYSA-N	-2	0	382.354	0.705	20	5		GCBDRL
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc(-c3nn[nH]n3)ccc2O)ccc1[O-]	ZINC000823635222	606338312	/nfs/dbraw/zinc/33/83/12/606338312.db2.gz	UHFDZSIWJKVKQL-UHFFFAOYSA-N	-2	0	378.326	0.987	20	5		GCBDRL
CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825067031	608473385	/nfs/dbraw/zinc/47/33/85/608473385.db2.gz	GNEGSBPBALOFGD-MRVPVSSYSA-N	-2	0	384.374	0.649	20	5		GCBDRL
O=C([O-])C[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)[O-]	ZINC000776443220	641096367	/nfs/dbraw/zinc/09/63/67/641096367.db2.gz	DQJMYMRAFIVJLQ-SSDOTTSWSA-N	-2	0	397.159	0.564	20	5		GCBDRL
Cc1cc(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])cc([N+](=O)[O-])c1F	ZINC000776584613	641104304	/nfs/dbraw/zinc/10/43/04/641104304.db2.gz	KOWONNACSMHOTL-ZDUSSCGKSA-N	-2	0	378.334	0.886	20	5		GCBDRL
Nc1cc(Cl)c(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCC2)cc1[N+](=O)[O-]	ZINC000863955170	641253343	/nfs/dbraw/zinc/25/33/43/641253343.db2.gz	BWDHYEIRAYDQHG-UHFFFAOYSA-N	-2	0	377.762	0.890	20	5		GCBDRL
Nc1cc(Cl)c(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C2CC2)cc1[N+](=O)[O-]	ZINC000863955578	641253366	/nfs/dbraw/zinc/25/33/66/641253366.db2.gz	QJYZRQYMMKESQY-SNVBAGLBSA-N	-2	0	377.762	0.746	20	5		GCBDRL
O=C([O-])CC1(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)CCOCC1	ZINC000863955112	641253481	/nfs/dbraw/zinc/25/34/81/641253481.db2.gz	ZVKDUQVVABFYIO-UHFFFAOYSA-N	-2	0	378.384	0.733	20	5		GCBDRL
COc1cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)ccc1[N+](=O)[O-]	ZINC000274952311	1184437354	/nfs/dbraw/zinc/43/73/54/1184437354.db2.gz	ANFNBEQUYNNINU-NXEZZACHSA-N	-2	0	388.354	0.399	20	5		GCBDRL
COc1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)ccc1[N+](=O)[O-]	ZINC000274952313	1184437713	/nfs/dbraw/zinc/43/77/13/1184437713.db2.gz	ANFNBEQUYNNINU-UWVGGRQHSA-N	-2	0	388.354	0.399	20	5		GCBDRL
O=C([O-])C[C@]1(C(=O)[O-])CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1	ZINC000274988422	1184448875	/nfs/dbraw/zinc/44/88/75/1184448875.db2.gz	DUQJYRMOEUUXMN-OAHLLOKOSA-N	-2	0	386.382	0.719	20	5		GCBDRL
COc1ccc(S(=O)(=O)N2CC[C@](CC(=O)[O-])(C(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC000275101318	1184509417	/nfs/dbraw/zinc/50/94/17/1184509417.db2.gz	LPZBQPYLQKBDGN-CQSZACIVSA-N	-2	0	388.354	0.544	20	5		GCBDRL
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C1	ZINC000275154662	1184533632	/nfs/dbraw/zinc/53/36/32/1184533632.db2.gz	SDXCGLSRZPQNFQ-NWDGAFQWSA-N	-2	0	386.382	0.953	20	5		GCBDRL
Cc1cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)cc([N+](=O)[O-])c1F	ZINC000275193645	1184547219	/nfs/dbraw/zinc/54/72/19/1184547219.db2.gz	YBXRCMXHKXQZKY-ZJUUUORDSA-N	-2	0	390.345	0.838	20	5		GCBDRL
Cn1cc(CN2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])c([N+](=O)[O-])n1	ZINC001574458617	961532724	/nfs/dbraw/zinc/53/27/24/961532724.db2.gz	VOTVFQPHCTXJOY-RKDXNWHRSA-N	-2	0	379.295	0.424	20	5		GCBDRL
Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC000851704145	969285925	/nfs/dbraw/zinc/28/59/25/969285925.db2.gz	SWZIGIUWAAKMJZ-POYBYMJQSA-N	-2	0	393.278	0.065	20	5		GCBDRL
O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1	ZINC000852957874	969301949	/nfs/dbraw/zinc/30/19/49/969301949.db2.gz	XWBAYJQTJNQEAR-CBAPKCEASA-N	-2	0	378.263	0.659	20	5		GCBDRL
O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1	ZINC000852957876	969302144	/nfs/dbraw/zinc/30/21/44/969302144.db2.gz	XWBAYJQTJNQEAR-VXNVDRBHSA-N	-2	0	378.263	0.659	20	5		GCBDRL
O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1ccc([N+](=O)[O-])cn1	ZINC001605970190	972976304	/nfs/dbraw/zinc/97/63/04/972976304.db2.gz	MKMWRGHEFYTBKP-WCBMZHEXSA-N	-2	0	390.274	0.726	20	5		GCBDRL
C[C@@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000600665871	975005153	/nfs/dbraw/zinc/00/51/53/975005153.db2.gz	ZHTNJIOHGFXCKA-PWSUYJOCSA-N	-2	0	382.398	0.939	20	5		GCBDRL
C[C@H]1SC[C@@H](C(=O)NCCC(=O)[O-])N1C(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC001594658757	986933164	/nfs/dbraw/zinc/93/31/64/986933164.db2.gz	QBKNVQHQXKUQKV-PELKAZGASA-N	-2	0	383.382	0.795	20	5		GCBDRL
C[C@H]1CCCN(c2ccc(C(=O)[N-]S(=O)(=O)CC(=O)[O-])cc2[N+](=O)[O-])C1	ZINC001594389516	999475921	/nfs/dbraw/zinc/47/59/21/999475921.db2.gz	QQBAZPVKGLOEFO-JTQLQIEISA-N	-2	0	385.398	0.975	20	5		GCBDRL
CCS(=O)(=O)C[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000572770453	530521299	/nfs/dbraw/zinc/52/12/99/530521299.db2.gz	UNKAHBGMIBMGCV-QMMMGPOBSA-N	-2	0	380.400	0.395	20	5		GCBDRL
O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H]1C(=O)[O-]	ZINC000275170867	530907219	/nfs/dbraw/zinc/90/72/19/530907219.db2.gz	VKMLEQGOFMDBAR-RKDXNWHRSA-N	-2	0	376.318	0.530	20	5		GCBDRL
O=C([O-])[C@@H]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C[C@@H]1C(=O)[O-]	ZINC000274979153	530881387	/nfs/dbraw/zinc/88/13/87/530881387.db2.gz	DAPBIBRUFFPKTN-SFYZADRCSA-N	-2	0	376.318	0.530	20	5		GCBDRL
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](CC(=O)c2cccs2)C(=O)[O-])n1	ZINC000600656882	530931367	/nfs/dbraw/zinc/93/13/67/530931367.db2.gz	WOAFIGQHTFQPLK-ZETCQYMHSA-N	-2	0	388.383	0.394	20	5		GCBDRL
COC(=O)Cn1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])n1	ZINC000737631123	599738796	/nfs/dbraw/zinc/73/87/96/599738796.db2.gz	PXLJRGQFSHIYMG-UHFFFAOYSA-N	-2	0	384.326	0.463	20	5		GCBDRL
CC(C)(C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)n1cc([N+](=O)[O-])cn1	ZINC000736223724	599905084	/nfs/dbraw/zinc/90/50/84/599905084.db2.gz	KQRGSQKSDBNDCQ-UHFFFAOYSA-N	-2	0	388.383	0.791	20	5		GCBDRL
O=C([O-])Cn1cc([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cn1	ZINC000739911925	600530134	/nfs/dbraw/zinc/53/01/34/600530134.db2.gz	QRAYXFUHWLRJGA-UHFFFAOYSA-N	-2	0	384.326	0.448	20	5		GCBDRL
O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)CCn2cc([N+](=O)[O-])cn2)cc1	ZINC000739267577	600756852	/nfs/dbraw/zinc/75/68/52/600756852.db2.gz	HLFXLRUYMQLJTD-UHFFFAOYSA-N	-2	0	382.354	0.526	20	5		GCBDRL
O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)CCc2cccc([N+](=O)[O-])c2)CC1	ZINC000833102203	601598553	/nfs/dbraw/zinc/59/85/53/601598553.db2.gz	GFWHFRBIQVRXFZ-UHFFFAOYSA-N	-2	0	385.398	0.685	20	5		GCBDRL
O=C([O-])[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1	ZINC000833179053	604731420	/nfs/dbraw/zinc/73/14/20/604731420.db2.gz	LMGQKTGUASGUSX-BQBZGAKWSA-N	-2	0	393.171	0.883	20	5		GCBDRL
O=C([O-])CCCCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000826461479	608010716	/nfs/dbraw/zinc/01/07/16/608010716.db2.gz	WPMCZZWOCYRDEX-UHFFFAOYSA-N	-2	0	384.374	0.698	20	5		GCBDRL
CC(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1Cl	ZINC000863955169	641253374	/nfs/dbraw/zinc/25/33/74/641253374.db2.gz	BUUCOEFMFKCOPU-SNVBAGLBSA-N	-2	0	379.778	0.992	20	5		GCBDRL
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C1	ZINC000275154664	1184533308	/nfs/dbraw/zinc/53/33/08/1184533308.db2.gz	SDXCGLSRZPQNFQ-VXGBXAGGSA-N	-2	0	386.382	0.953	20	5		GCBDRL
CCc1nc(C[N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])ccc1C(=O)[O-]	ZINC000547897180	1184737605	/nfs/dbraw/zinc/73/76/05/1184737605.db2.gz	TZLHWWUAZZKSRM-UHFFFAOYSA-N	-2	0	383.386	0.945	20	5		GCBDRL
Cc1cc(C)n(C[C@@H]([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C(=O)[O-])n1	ZINC000548203734	1185881674	/nfs/dbraw/zinc/88/16/74/1185881674.db2.gz	VZRSDDWURWKNDN-LLVKDONJSA-N	-2	0	386.361	0.979	20	5		GCBDRL
CNC(=O)Cn1nc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)cc1C	ZINC000504280146	1194773948	/nfs/dbraw/zinc/77/39/48/1194773948.db2.gz	OWFHFZCFMNQBTF-UHFFFAOYSA-N	-2	0	383.386	0.661	20	5		GCBDRL
O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3[O-])CC2)C1	ZINC001574647312	962393088	/nfs/dbraw/zinc/39/30/88/962393088.db2.gz	MTCGFCRJTGDPIT-SNVBAGLBSA-N	-2	0	377.353	0.838	20	5		GCBDRL
O=[N+]([O-])c1ncccc1S(=O)(=O)NCCNS(=O)(=O)c1cccs1	ZINC000533467928	530900503	/nfs/dbraw/zinc/90/05/03/530900503.db2.gz	AIENHMKNLPBFKX-UHFFFAOYSA-N	-2	0	392.440	0.308	20	5		GCBDRL
COc1c(F)cc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])cc1[N+](=O)[O-]	ZINC000276871537	530911780	/nfs/dbraw/zinc/91/17/80/530911780.db2.gz	CVWIEDCPFZARJZ-ZCFIWIBFSA-N	-2	0	380.306	0.196	20	5		GCBDRL
CC(C)=CCSC[C@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000600656036	530931220	/nfs/dbraw/zinc/93/12/20/530931220.db2.gz	VLNVHWMSEGYLDX-VIFPVBQESA-N	-2	0	378.432	0.759	20	5		GCBDRL
Cc1nc([C@H](C)[N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])sc1C(=O)[O-]	ZINC000600665452	530931330	/nfs/dbraw/zinc/93/13/30/530931330.db2.gz	RNXRRIYKLDXYSG-LURJTMIESA-N	-2	0	375.388	0.831	20	5		GCBDRL
O=C([O-])C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)[O-]	ZINC000547880016	530988356	/nfs/dbraw/zinc/98/83/56/530988356.db2.gz	PKNQWNBUISNORP-ZETCQYMHSA-N	-2	0	397.159	0.564	20	5		GCBDRL
O=C([O-])Cn1ccc([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)n1	ZINC000739920935	599869021	/nfs/dbraw/zinc/86/90/21/599869021.db2.gz	XIMBTKILKPQZCH-UHFFFAOYSA-N	-2	0	384.326	0.448	20	5		GCBDRL
CC(C)(C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-])n1cc([N+](=O)[O-])cn1	ZINC000736224070	599905046	/nfs/dbraw/zinc/90/50/46/599905046.db2.gz	UOTWGJOLVKUFLA-UHFFFAOYSA-N	-2	0	388.383	0.791	20	5		GCBDRL
CNC(=O)c1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cn1C	ZINC000484541833	600690199	/nfs/dbraw/zinc/69/01/99/600690199.db2.gz	PPEMQYXWJYLBHU-UHFFFAOYSA-N	-2	0	382.354	0.792	20	5		GCBDRL
O=C([O-])[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1	ZINC000833179055	604731485	/nfs/dbraw/zinc/73/14/85/604731485.db2.gz	LMGQKTGUASGUSX-RNFRBKRXSA-N	-2	0	393.171	0.883	20	5		GCBDRL
O=C([O-])Cn1cc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])nn1	ZINC000776628560	641108366	/nfs/dbraw/zinc/10/83/66/641108366.db2.gz	VHIVSFJSAYSVHC-UHFFFAOYSA-N	-2	0	375.750	0.403	20	5		GCBDRL
O=C([O-])CC[C@H](NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000837285705	642268602	/nfs/dbraw/zinc/26/86/02/642268602.db2.gz	XZASOIQFZJQQMY-ZETCQYMHSA-N	-2	0	384.725	0.984	20	5		GCBDRL
COc1ccc(S(=O)(=O)N2CC[C@](CC(=O)[O-])(C(=O)[O-])C2)cc1[N+](=O)[O-]	ZINC000274968617	1184442628	/nfs/dbraw/zinc/44/26/28/1184442628.db2.gz	CBGMZGOGKDRGAV-CQSZACIVSA-N	-2	0	388.354	0.544	20	5		GCBDRL
O=C([O-])[C@H]1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C[C@H]1C(=O)[O-]	ZINC000275115140	1184520877	/nfs/dbraw/zinc/52/08/77/1184520877.db2.gz	NJWACDOXWIHQIY-NWDGAFQWSA-N	-2	0	386.382	0.574	20	5		GCBDRL
Cc1cc(C)n(C[C@H]([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C(=O)[O-])n1	ZINC000548203738	1185881212	/nfs/dbraw/zinc/88/12/12/1185881212.db2.gz	VZRSDDWURWKNDN-NSHDSACASA-N	-2	0	386.361	0.979	20	5		GCBDRL
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](Cc2cccc(F)c2)C(=O)[O-])n1	ZINC000600665036	975004452	/nfs/dbraw/zinc/00/44/52/975004452.db2.gz	LRTXIRDDJGONAK-JTQLQIEISA-N	-2	0	386.361	0.689	20	5		GCBDRL
CN(C)S(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-]	ZINC001598266866	991114468	/nfs/dbraw/zinc/11/44/68/991114468.db2.gz	HABMJMRJMAJADO-UHFFFAOYSA-N	-2	0	377.400	0.698	20	5		GCBDRL
O=C([O-])c1ccc([N+](=O)[O-])cc1NS(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1	ZINC000573688411	530525018	/nfs/dbraw/zinc/52/50/18/530525018.db2.gz	JSAOKCUNACLPRG-SECBINFHSA-N	-2	0	392.411	0.860	20	5		GCBDRL
O=C([O-])[C@@H](CCO)NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000274926051	530746443	/nfs/dbraw/zinc/74/64/43/530746443.db2.gz	NWKJNAXDDMJIBZ-SSDOTTSWSA-N	-2	0	383.176	0.471	20	5		GCBDRL
O=C([O-])[C@H]1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC[C@@H]1C(=O)[O-]	ZINC000274955434	530906585	/nfs/dbraw/zinc/90/65/85/530906585.db2.gz	AWEFVZGPAOSIDB-YUMQZZPRSA-N	-2	0	376.318	0.530	20	5		GCBDRL
Cc1nc(CC[N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])sc1C(=O)[O-]	ZINC000600651752	530931359	/nfs/dbraw/zinc/93/13/59/530931359.db2.gz	IUJQXJURTOPAEI-UHFFFAOYSA-N	-2	0	375.388	0.312	20	5		GCBDRL
O=C([O-])C[C@@H](NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000547874935	530988069	/nfs/dbraw/zinc/98/80/69/530988069.db2.gz	QOPADZUIRSAFHM-MRVPVSSYSA-N	-2	0	397.159	0.564	20	5		GCBDRL
O=C([O-])c1cn(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)nn1	ZINC000325143237	531086963	/nfs/dbraw/zinc/08/69/63/531086963.db2.gz	CZXLFWIVIWILFV-UHFFFAOYSA-N	-2	0	375.750	0.516	20	5		GCBDRL
O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1	ZINC000739690840	600461634	/nfs/dbraw/zinc/46/16/34/600461634.db2.gz	BWDHPYZIIWZWFG-UHFFFAOYSA-N	-2	0	382.354	0.705	20	5		GCBDRL
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)cc([N+](=O)[O-])c1	ZINC000833300785	600691311	/nfs/dbraw/zinc/69/13/11/600691311.db2.gz	KOIHPCBTSQZXPY-UHFFFAOYSA-N	-2	0	391.317	0.977	20	5		GCBDRL
O=C([O-])COc1ccc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])nc2)cc1	ZINC000833253554	601144114	/nfs/dbraw/zinc/14/41/14/601144114.db2.gz	JUNZOZVDDXBUJV-UHFFFAOYSA-N	-2	0	381.322	0.572	20	5		GCBDRL
COc1cc(S(=O)(=O)[N-]C(=O)[C@@H](NC(=O)[O-])C(C)C)ccc1[N+](=O)[O-]	ZINC000829216982	604738480	/nfs/dbraw/zinc/73/84/80/604738480.db2.gz	GVGSFOUXHYNBGF-NSHDSACASA-N	-2	0	375.359	0.701	20	5		GCBDRL
COCCn1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)cn1	ZINC000821695228	607154412	/nfs/dbraw/zinc/15/44/12/607154412.db2.gz	ONQMJVMBFAXFHG-UHFFFAOYSA-N	-2	0	394.373	0.419	20	5		GCBDRL
COCCn1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)n1	ZINC000821695104	607155324	/nfs/dbraw/zinc/15/53/24/607155324.db2.gz	JSTZUUXXFSUXPZ-UHFFFAOYSA-N	-2	0	394.373	0.419	20	5		GCBDRL
Cn1ncc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])c1C(=O)[O-]	ZINC000826366510	608396030	/nfs/dbraw/zinc/39/60/30/608396030.db2.gz	LRXQWLDXSBIPME-UHFFFAOYSA-N	-2	0	394.329	0.007	20	5		GCBDRL
O=C([O-])C[C@@H](NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000776445425	641096653	/nfs/dbraw/zinc/09/66/53/641096653.db2.gz	VSNHFSNREOXTTK-SSDOTTSWSA-N	-2	0	397.159	0.564	20	5		GCBDRL
O=C([O-])C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1	ZINC000274988419	1184448659	/nfs/dbraw/zinc/44/86/59/1184448659.db2.gz	DUQJYRMOEUUXMN-HNNXBMFYSA-N	-2	0	386.382	0.719	20	5		GCBDRL
COc1cc(S(=O)(=O)N2CC[C@@](CC(=O)[O-])(C(=O)[O-])C2)ccc1[N+](=O)[O-]	ZINC000275112891	1184518953	/nfs/dbraw/zinc/51/89/53/1184518953.db2.gz	NBKJTRQIQYSNEA-AWEZNQCLSA-N	-2	0	388.354	0.544	20	5		GCBDRL
COc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-]	ZINC000275129501	1184527793	/nfs/dbraw/zinc/52/77/93/1184527793.db2.gz	OYTMHIOPLODVGL-VHSXEESVSA-N	-2	0	388.354	0.399	20	5		GCBDRL
Cc1cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)cc([N+](=O)[O-])c1F	ZINC000275193639	1184547404	/nfs/dbraw/zinc/54/74/04/1184547404.db2.gz	YBXRCMXHKXQZKY-NXEZZACHSA-N	-2	0	390.345	0.838	20	5		GCBDRL
Cn1cc(CN2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])c([N+](=O)[O-])n1	ZINC001574458615	961533362	/nfs/dbraw/zinc/53/33/62/961533362.db2.gz	VOTVFQPHCTXJOY-IUCAKERBSA-N	-2	0	379.295	0.424	20	5		GCBDRL
O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3[O-])CC2)C1	ZINC001574647310	962393269	/nfs/dbraw/zinc/39/32/69/962393269.db2.gz	MTCGFCRJTGDPIT-JTQLQIEISA-N	-2	0	377.353	0.838	20	5		GCBDRL
C[C@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000600665870	975005433	/nfs/dbraw/zinc/00/54/33/975005433.db2.gz	ZHTNJIOHGFXCKA-JQWIXIFHSA-N	-2	0	382.398	0.939	20	5		GCBDRL
O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1	ZINC000739696247	978649812	/nfs/dbraw/zinc/64/98/12/978649812.db2.gz	NMWPXRRWZINDQS-UHFFFAOYSA-N	-2	0	382.354	0.705	20	5		GCBDRL
C[C@H]1SC[C@H](C(=O)NCCC(=O)[O-])N1C(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC001594657091	986914573	/nfs/dbraw/zinc/91/45/73/986914573.db2.gz	HAPHULONMMVJRY-LDYMZIIASA-N	-2	0	383.382	0.795	20	5		GCBDRL
O=C([O-])C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000515297377	530303285	/nfs/dbraw/zinc/30/32/85/530303285.db2.gz	GKLCTXOBIBUFLG-LURJTMIESA-N	-3	0	386.260	0.820	20	5		GCBDRL
CC(C)c1[nH]nc(C(=O)[N-]c2nnc([N-]S(C)(=O)=O)s2)c1[N+](=O)[O-]	ZINC000269467007	530747535	/nfs/dbraw/zinc/74/75/35/530747535.db2.gz	UAZCJFSDNTWAPH-UHFFFAOYSA-N	-2	0	375.392	0.917	20	5		GCBDRL
O=C([O-])[C@H]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H]1C(=O)[O-]	ZINC000274979151	530906335	/nfs/dbraw/zinc/90/63/35/530906335.db2.gz	DAPBIBRUFFPKTN-JGVFFNPUSA-N	-2	0	376.318	0.530	20	5		GCBDRL
O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000548535113	530880482	/nfs/dbraw/zinc/88/04/82/530880482.db2.gz	LPIQEGFHANKXCZ-UHFFFAOYSA-N	-2	0	397.159	0.517	20	5		GCBDRL
O=C([O-])C[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1	ZINC000275171955	530885453	/nfs/dbraw/zinc/88/54/53/530885453.db2.gz	VLXHGUAOGXWWKN-CYBMUJFWSA-N	-2	0	376.318	0.674	20	5		GCBDRL
CCO[C@H]1C[C@@]([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])(C(=O)[O-])C1(C)C	ZINC000600653830	530931662	/nfs/dbraw/zinc/93/16/62/530931662.db2.gz	OMPDNEHUXTVCNR-TVQRCGJNSA-N	-2	0	376.391	0.265	20	5		GCBDRL
COc1ccc(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])c([N+](=O)[O-])c1	ZINC000278591986	530916357	/nfs/dbraw/zinc/91/63/57/530916357.db2.gz	FFVIQGNTYPVWBS-SECBINFHSA-N	-2	0	376.343	0.590	20	5		GCBDRL
O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000547884937	530997753	/nfs/dbraw/zinc/99/77/53/530997753.db2.gz	QOUSYCXLEIDWTI-UHFFFAOYSA-N	-2	0	397.159	0.517	20	5		GCBDRL
O=C([O-])C[C@H](NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000548207976	531088278	/nfs/dbraw/zinc/08/82/78/531088278.db2.gz	QOPADZUIRSAFHM-QMMMGPOBSA-N	-2	0	397.159	0.564	20	5		GCBDRL
O=C([O-])NCCC(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC000833279970	601341629	/nfs/dbraw/zinc/34/16/29/601341629.db2.gz	IIALZZIIIJZKCJ-UHFFFAOYSA-N	-2	0	396.175	0.820	20	5		GCBDRL
C[C@H](NC(=O)c1ccc(NCCCc2n[nH]c(=O)[n-]2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000827702929	601446035	/nfs/dbraw/zinc/44/60/35/601446035.db2.gz	DKXHUHWOWJVAJN-QMMMGPOBSA-N	-2	0	378.345	0.666	20	5		GCBDRL
O=C([O-])c1nscc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1NCCO	ZINC000833345180	601833625	/nfs/dbraw/zinc/83/36/25/601833625.db2.gz	MXQLVJBKTVLGCK-UHFFFAOYSA-N	-2	0	388.383	0.955	20	5		GCBDRL
COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](NC(=O)[O-])C(C)C)c([N+](=O)[O-])c1	ZINC000738062175	604374004	/nfs/dbraw/zinc/37/40/04/604374004.db2.gz	RKSSLEOCTOCAPC-NSHDSACASA-N	-2	0	375.359	0.701	20	5		GCBDRL
CS(=O)(=O)CCn1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)n1	ZINC000741200884	640222639	/nfs/dbraw/zinc/22/26/39/640222639.db2.gz	JAXPJJZDUORIQX-UHFFFAOYSA-N	-2	0	390.399	0.342	20	5		GCBDRL
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