smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H](C)c1cccc([N+](=O)[O-])c1	ZINC000247193049	432211944	/nfs/dbraw/zinc/21/19/44/432211944.db2.gz	WQJBPLXMJGRTAZ-CXAGYDPISA-N	2	2	314.389	3.325	10	5		DGBELP
Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H](C)c1cccc([N+](=O)[O-])c1	ZINC000247193049	432211946	/nfs/dbraw/zinc/21/19/46/432211946.db2.gz	WQJBPLXMJGRTAZ-CXAGYDPISA-N	2	2	314.389	3.325	10	5		DGBELP
CC[C@H]([NH2+][C@@H]1C[N@@H+](C(C)C)C[C@@H]1C)c1cccc([N+](=O)[O-])c1	ZINC000090918471	431897374	/nfs/dbraw/zinc/89/73/74/431897374.db2.gz	NHSLSPWJJUZHFI-RRQGHBQHSA-N	2	2	305.422	3.364	10	5		DGBELP
CC[C@H]([NH2+][C@@H]1C[N@H+](C(C)C)C[C@@H]1C)c1cccc([N+](=O)[O-])c1	ZINC000090918471	431897376	/nfs/dbraw/zinc/89/73/76/431897376.db2.gz	NHSLSPWJJUZHFI-RRQGHBQHSA-N	2	2	305.422	3.364	10	5		DGBELP
CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1	ZINC000105896466	194162268	/nfs/dbraw/zinc/16/22/68/194162268.db2.gz	KEIYHVHDXWHPOD-INIZCTEOSA-N	2	2	314.389	3.191	10	5		DGBELP
CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1	ZINC000105896466	194162269	/nfs/dbraw/zinc/16/22/69/194162269.db2.gz	KEIYHVHDXWHPOD-INIZCTEOSA-N	2	2	314.389	3.191	10	5		DGBELP
C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(n2cc[nH+]c2)CC1	ZINC000109796586	194286353	/nfs/dbraw/zinc/28/63/53/194286353.db2.gz	AZKQGLYXYAAEHG-ZDUSSCGKSA-N	2	2	300.362	3.189	10	5		DGBELP
C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C	ZINC000594967877	401212479	/nfs/dbraw/zinc/21/24/79/401212479.db2.gz	WWBOMVNYBDACHC-OOXMNIKJSA-N	2	2	317.433	3.461	10	5		DGBELP
C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C	ZINC000594967877	401212487	/nfs/dbraw/zinc/21/24/87/401212487.db2.gz	WWBOMVNYBDACHC-OOXMNIKJSA-N	2	2	317.433	3.461	10	5		DGBELP
C[C@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1cccc([N+](=O)[O-])c1	ZINC000173315116	432271764	/nfs/dbraw/zinc/27/17/64/432271764.db2.gz	MSKXVUCKBCZSLO-ZDUSSCGKSA-N	2	2	323.356	3.026	10	5		DGBELP
CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1	ZINC000081570646	192293218	/nfs/dbraw/zinc/29/32/18/192293218.db2.gz	AGSXWFUKOVNWOP-GJZGRUSLSA-N	2	2	305.422	3.320	10	5		DGBELP
CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1	ZINC000081570646	192293220	/nfs/dbraw/zinc/29/32/20/192293220.db2.gz	AGSXWFUKOVNWOP-GJZGRUSLSA-N	2	2	305.422	3.320	10	5		DGBELP
CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1	ZINC000081570646	192293223	/nfs/dbraw/zinc/29/32/23/192293223.db2.gz	AGSXWFUKOVNWOP-GJZGRUSLSA-N	2	2	305.422	3.320	10	5		DGBELP
CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1	ZINC000081570646	192293226	/nfs/dbraw/zinc/29/32/26/192293226.db2.gz	AGSXWFUKOVNWOP-GJZGRUSLSA-N	2	2	305.422	3.320	10	5		DGBELP
CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1	ZINC000105896668	194162712	/nfs/dbraw/zinc/16/27/12/194162712.db2.gz	NLLNXUACUUHBIW-OAHLLOKOSA-N	2	2	314.389	3.191	10	5		DGBELP
CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1	ZINC000105896668	194162714	/nfs/dbraw/zinc/16/27/14/194162714.db2.gz	NLLNXUACUUHBIW-OAHLLOKOSA-N	2	2	314.389	3.191	10	5		DGBELP
C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([NH2+]CC2CC2)CC1	ZINC000262307123	432480955	/nfs/dbraw/zinc/48/09/55/432480955.db2.gz	PHPOHDZSJAUNGP-ZDUSSCGKSA-N	2	2	303.406	3.120	10	5		DGBELP
CCC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1	ZINC000245412263	432827647	/nfs/dbraw/zinc/82/76/47/432827647.db2.gz	AGSXWFUKOVNWOP-HUUCEWRRSA-N	2	2	305.422	3.320	10	5		DGBELP
CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1	ZINC000245412263	432827650	/nfs/dbraw/zinc/82/76/50/432827650.db2.gz	AGSXWFUKOVNWOP-HUUCEWRRSA-N	2	2	305.422	3.320	10	5		DGBELP
CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1	ZINC000245412263	432827652	/nfs/dbraw/zinc/82/76/52/432827652.db2.gz	AGSXWFUKOVNWOP-HUUCEWRRSA-N	2	2	305.422	3.320	10	5		DGBELP
CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1	ZINC000245412263	432827655	/nfs/dbraw/zinc/82/76/55/432827655.db2.gz	AGSXWFUKOVNWOP-HUUCEWRRSA-N	2	2	305.422	3.320	10	5		DGBELP
O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cs1	ZINC000134880360	432087645	/nfs/dbraw/zinc/08/76/45/432087645.db2.gz	CGSGRTWAFHLXHU-HIFRSBDPSA-N	2	2	321.446	3.105	10	5		DGBELP
O=[N+]([O-])c1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cs1	ZINC000134880360	432087647	/nfs/dbraw/zinc/08/76/47/432087647.db2.gz	CGSGRTWAFHLXHU-HIFRSBDPSA-N	2	2	321.446	3.105	10	5		DGBELP
O=[N+]([O-])c1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cs1	ZINC000134880360	432087649	/nfs/dbraw/zinc/08/76/49/432087649.db2.gz	CGSGRTWAFHLXHU-HIFRSBDPSA-N	2	2	321.446	3.105	10	5		DGBELP
O=[N+]([O-])c1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cs1	ZINC000134880360	432087650	/nfs/dbraw/zinc/08/76/50/432087650.db2.gz	CGSGRTWAFHLXHU-HIFRSBDPSA-N	2	2	321.446	3.105	10	5		DGBELP
CC(C)c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1[N+](=O)[O-]	ZINC000261669397	278036421	/nfs/dbraw/zinc/03/64/21/278036421.db2.gz	IWXBIZQISMJTCH-MRXNPFEDSA-N	2	2	305.422	3.277	10	5		DGBELP
CC(C)c1ccc(C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1[N+](=O)[O-]	ZINC000261669397	278036422	/nfs/dbraw/zinc/03/64/22/278036422.db2.gz	IWXBIZQISMJTCH-MRXNPFEDSA-N	2	2	305.422	3.277	10	5		DGBELP
C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC([NH+](C)C)CC1	ZINC000470182218	533406864	/nfs/dbraw/zinc/40/68/64/533406864.db2.gz	KABZFLBUPCBIGN-SDNWHVSQSA-N	2	2	303.406	3.024	10	5		DGBELP
C[C@@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1cccc([N+](=O)[O-])c1	ZINC000173315131	432271640	/nfs/dbraw/zinc/27/16/40/432271640.db2.gz	MSKXVUCKBCZSLO-CYBMUJFWSA-N	2	2	323.356	3.026	10	5		DGBELP
CC[C@H]([NH2+][C@H]1C[N@@H+](C(C)C)C[C@@H]1C)c1cccc([N+](=O)[O-])c1	ZINC000090918472	431897566	/nfs/dbraw/zinc/89/75/66/431897566.db2.gz	NHSLSPWJJUZHFI-JQFCIGGWSA-N	2	2	305.422	3.364	10	5		DGBELP
CC[C@H]([NH2+][C@H]1C[N@H+](C(C)C)C[C@@H]1C)c1cccc([N+](=O)[O-])c1	ZINC000090918472	431897568	/nfs/dbraw/zinc/89/75/68/431897568.db2.gz	NHSLSPWJJUZHFI-JQFCIGGWSA-N	2	2	305.422	3.364	10	5		DGBELP
C[C@H]1C[C@@H]([NH+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1C	ZINC000154016543	432463833	/nfs/dbraw/zinc/46/38/33/432463833.db2.gz	ATSNPRRHYOXJGS-AAEUAGOBSA-N	2	2	311.813	3.163	10	5		DGBELP
C[C@H]1C[C@@H]([NH+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@H+]1C	ZINC000154016543	432463836	/nfs/dbraw/zinc/46/38/36/432463836.db2.gz	ATSNPRRHYOXJGS-AAEUAGOBSA-N	2	2	311.813	3.163	10	5		DGBELP
C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[NH+]1C	ZINC000154016543	432463837	/nfs/dbraw/zinc/46/38/37/432463837.db2.gz	ATSNPRRHYOXJGS-AAEUAGOBSA-N	2	2	311.813	3.163	10	5		DGBELP
C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[NH+]1C	ZINC000154016543	432463839	/nfs/dbraw/zinc/46/38/39/432463839.db2.gz	ATSNPRRHYOXJGS-AAEUAGOBSA-N	2	2	311.813	3.163	10	5		DGBELP
Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C	ZINC000178323301	432720584	/nfs/dbraw/zinc/72/05/84/432720584.db2.gz	AOIOQJLQIDMPOY-INIZCTEOSA-N	2	2	314.389	3.073	10	5		DGBELP
Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1C	ZINC000178323301	432720589	/nfs/dbraw/zinc/72/05/89/432720589.db2.gz	AOIOQJLQIDMPOY-INIZCTEOSA-N	2	2	314.389	3.073	10	5		DGBELP
CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1	ZINC000105896454	194162419	/nfs/dbraw/zinc/16/24/19/194162419.db2.gz	KDDNDPHHZIJRFO-MRXNPFEDSA-N	2	2	314.389	3.191	10	5		DGBELP
CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1	ZINC000105896454	194162422	/nfs/dbraw/zinc/16/24/22/194162422.db2.gz	KDDNDPHHZIJRFO-MRXNPFEDSA-N	2	2	314.389	3.191	10	5		DGBELP
C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C	ZINC000594967876	401212621	/nfs/dbraw/zinc/21/26/21/401212621.db2.gz	WWBOMVNYBDACHC-IDKBZEPQSA-N	2	2	317.433	3.461	10	5		DGBELP
C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C	ZINC000594967876	401212629	/nfs/dbraw/zinc/21/26/29/401212629.db2.gz	WWBOMVNYBDACHC-IDKBZEPQSA-N	2	2	317.433	3.461	10	5		DGBELP
Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)c1cccc([N+](=O)[O-])c1	ZINC000247193075	432211498	/nfs/dbraw/zinc/21/14/98/432211498.db2.gz	WQJBPLXMJGRTAZ-DYVFJYSZSA-N	2	2	314.389	3.325	10	5		DGBELP
Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C)c1cccc([N+](=O)[O-])c1	ZINC000247193075	432211499	/nfs/dbraw/zinc/21/14/99/432211499.db2.gz	WQJBPLXMJGRTAZ-DYVFJYSZSA-N	2	2	314.389	3.325	10	5		DGBELP
C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1C	ZINC000154016457	432464361	/nfs/dbraw/zinc/46/43/61/432464361.db2.gz	ATSNPRRHYOXJGS-YPMHNXCESA-N	2	2	311.813	3.163	10	5		DGBELP
C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@H+]1C	ZINC000154016457	432464364	/nfs/dbraw/zinc/46/43/64/432464364.db2.gz	ATSNPRRHYOXJGS-YPMHNXCESA-N	2	2	311.813	3.163	10	5		DGBELP
C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[NH+]1C	ZINC000154016457	432464366	/nfs/dbraw/zinc/46/43/66/432464366.db2.gz	ATSNPRRHYOXJGS-YPMHNXCESA-N	2	2	311.813	3.163	10	5		DGBELP
C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[NH+]1C	ZINC000154016457	432464370	/nfs/dbraw/zinc/46/43/70/432464370.db2.gz	ATSNPRRHYOXJGS-YPMHNXCESA-N	2	2	311.813	3.163	10	5		DGBELP
CC1=CC[N@H+](CC[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])CC1	ZINC000545865279	314271443	/nfs/dbraw/zinc/27/14/43/314271443.db2.gz	QJOKCLUZAGBDJF-MRXNPFEDSA-N	2	2	317.433	3.158	10	5		DGBELP
CC1=CC[N@@H+](CC[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])CC1	ZINC000545865279	314271446	/nfs/dbraw/zinc/27/14/46/314271446.db2.gz	QJOKCLUZAGBDJF-MRXNPFEDSA-N	2	2	317.433	3.158	10	5		DGBELP
C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1	ZINC000072718968	191221893	/nfs/dbraw/zinc/22/18/93/191221893.db2.gz	SPVGFGAPGALVRZ-JKSUJKDBSA-N	2	2	317.433	3.464	10	5		DGBELP
C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1	ZINC000072718968	191221896	/nfs/dbraw/zinc/22/18/96/191221896.db2.gz	SPVGFGAPGALVRZ-JKSUJKDBSA-N	2	2	317.433	3.464	10	5		DGBELP
Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1	ZINC000180124464	199120627	/nfs/dbraw/zinc/12/06/27/199120627.db2.gz	MMXDQGIUVROZHV-MRXNPFEDSA-N	2	2	314.389	3.073	10	5		DGBELP
Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc(C)c([N+](=O)[O-])c1	ZINC000180124464	199120629	/nfs/dbraw/zinc/12/06/29/199120629.db2.gz	MMXDQGIUVROZHV-MRXNPFEDSA-N	2	2	314.389	3.073	10	5		DGBELP
O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cs1	ZINC000246423666	432129120	/nfs/dbraw/zinc/12/91/20/432129120.db2.gz	CGSGRTWAFHLXHU-ZFWWWQNUSA-N	2	2	321.446	3.105	10	5		DGBELP
O=[N+]([O-])c1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cs1	ZINC000246423666	432129122	/nfs/dbraw/zinc/12/91/22/432129122.db2.gz	CGSGRTWAFHLXHU-ZFWWWQNUSA-N	2	2	321.446	3.105	10	5		DGBELP
O=[N+]([O-])c1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cs1	ZINC000246423666	432129125	/nfs/dbraw/zinc/12/91/25/432129125.db2.gz	CGSGRTWAFHLXHU-ZFWWWQNUSA-N	2	2	321.446	3.105	10	5		DGBELP
O=[N+]([O-])c1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cs1	ZINC000246423666	432129126	/nfs/dbraw/zinc/12/91/26/432129126.db2.gz	CGSGRTWAFHLXHU-ZFWWWQNUSA-N	2	2	321.446	3.105	10	5		DGBELP
C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1	ZINC000246198187	432105485	/nfs/dbraw/zinc/10/54/85/432105485.db2.gz	NELZBYLQLQKFTR-CABCVRRESA-N	2	2	303.406	3.074	10	5		DGBELP
C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1	ZINC000246198187	432105489	/nfs/dbraw/zinc/10/54/89/432105489.db2.gz	NELZBYLQLQKFTR-CABCVRRESA-N	2	2	303.406	3.074	10	5		DGBELP
C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(n2cc[nH+]c2)CC1	ZINC000109796589	194286890	/nfs/dbraw/zinc/28/68/90/194286890.db2.gz	AZKQGLYXYAAEHG-CYBMUJFWSA-N	2	2	300.362	3.189	10	5		DGBELP
O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)c(Cl)c1	ZINC000185224079	432479642	/nfs/dbraw/zinc/47/96/42/432479642.db2.gz	JZCYBORSZCLQKZ-AWEZNQCLSA-N	2	2	320.780	3.109	10	5		DGBELP
O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)c(Cl)c1	ZINC000185224079	432479645	/nfs/dbraw/zinc/47/96/45/432479645.db2.gz	JZCYBORSZCLQKZ-AWEZNQCLSA-N	2	2	320.780	3.109	10	5		DGBELP
C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[N@H+]1CC=C(C)CC1	ZINC000468623189	435128310	/nfs/dbraw/zinc/12/83/10/435128310.db2.gz	XSUWUSCXRLNYMJ-VBKFSLOCSA-N	2	2	315.417	3.240	10	5		DGBELP
C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[N@@H+]1CC=C(C)CC1	ZINC000468623189	435128316	/nfs/dbraw/zinc/12/83/16/435128316.db2.gz	XSUWUSCXRLNYMJ-VBKFSLOCSA-N	2	2	315.417	3.240	10	5		DGBELP
C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1	ZINC000150836517	432195325	/nfs/dbraw/zinc/19/53/25/432195325.db2.gz	NELZBYLQLQKFTR-HUUCEWRRSA-N	2	2	303.406	3.074	10	5		DGBELP
C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1	ZINC000150836517	432195328	/nfs/dbraw/zinc/19/53/28/432195328.db2.gz	NELZBYLQLQKFTR-HUUCEWRRSA-N	2	2	303.406	3.074	10	5		DGBELP
C[C@H]1C[C@H]([NH+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C	ZINC000123396892	431864370	/nfs/dbraw/zinc/86/43/70/431864370.db2.gz	YXWUNAVUZAUUJP-SMDDNHRTSA-N	2	2	311.813	3.163	10	5		DGBELP
C[C@H]1C[C@H]([NH+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C	ZINC000123396892	431864372	/nfs/dbraw/zinc/86/43/72/431864372.db2.gz	YXWUNAVUZAUUJP-SMDDNHRTSA-N	2	2	311.813	3.163	10	5		DGBELP
C[C@H]1C[C@H]([N@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])CC[NH+]1C	ZINC000123396892	431864373	/nfs/dbraw/zinc/86/43/73/431864373.db2.gz	YXWUNAVUZAUUJP-SMDDNHRTSA-N	2	2	311.813	3.163	10	5		DGBELP
C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])CC[NH+]1C	ZINC000123396892	431864375	/nfs/dbraw/zinc/86/43/75/431864375.db2.gz	YXWUNAVUZAUUJP-SMDDNHRTSA-N	2	2	311.813	3.163	10	5		DGBELP
C[C@@H]1C[C@H]([NH+](C)C/C=C\c2ccccc2[N+](=O)[O-])CC[N@@H+]1C	ZINC000255162974	432407915	/nfs/dbraw/zinc/40/79/15/432407915.db2.gz	FMDWXMXQVFURNA-CSVMTYNTSA-N	2	2	303.406	3.023	10	5		DGBELP
C[C@@H]1C[C@H]([NH+](C)C/C=C\c2ccccc2[N+](=O)[O-])CC[N@H+]1C	ZINC000255162974	432407919	/nfs/dbraw/zinc/40/79/19/432407919.db2.gz	FMDWXMXQVFURNA-CSVMTYNTSA-N	2	2	303.406	3.023	10	5		DGBELP
C[C@@H]1C[C@H]([N@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])CC[NH+]1C	ZINC000255162974	432407923	/nfs/dbraw/zinc/40/79/23/432407923.db2.gz	FMDWXMXQVFURNA-CSVMTYNTSA-N	2	2	303.406	3.023	10	5		DGBELP
C[C@@H]1C[C@H]([N@@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])CC[NH+]1C	ZINC000255162974	432407927	/nfs/dbraw/zinc/40/79/27/432407927.db2.gz	FMDWXMXQVFURNA-CSVMTYNTSA-N	2	2	303.406	3.023	10	5		DGBELP
C[C@@H]1C[C@@H]([NH+](C)C/C=C\c2ccccc2[N+](=O)[O-])CC[N@@H+]1C	ZINC000255162972	432408209	/nfs/dbraw/zinc/40/82/09/432408209.db2.gz	FMDWXMXQVFURNA-CSVGXABCSA-N	2	2	303.406	3.023	10	5		DGBELP
C[C@@H]1C[C@@H]([NH+](C)C/C=C\c2ccccc2[N+](=O)[O-])CC[N@H+]1C	ZINC000255162972	432408212	/nfs/dbraw/zinc/40/82/12/432408212.db2.gz	FMDWXMXQVFURNA-CSVGXABCSA-N	2	2	303.406	3.023	10	5		DGBELP
C[C@@H]1C[C@@H]([N@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])CC[NH+]1C	ZINC000255162972	432408216	/nfs/dbraw/zinc/40/82/16/432408216.db2.gz	FMDWXMXQVFURNA-CSVGXABCSA-N	2	2	303.406	3.023	10	5		DGBELP
C[C@@H]1C[C@@H]([N@@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])CC[NH+]1C	ZINC000255162972	432408220	/nfs/dbraw/zinc/40/82/20/432408220.db2.gz	FMDWXMXQVFURNA-CSVGXABCSA-N	2	2	303.406	3.023	10	5		DGBELP
C[C@H]1C[C@H]([NH+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1C	ZINC000154016335	432464700	/nfs/dbraw/zinc/46/47/00/432464700.db2.gz	ATSNPRRHYOXJGS-WCQYABFASA-N	2	2	311.813	3.163	10	5		DGBELP
C[C@H]1C[C@H]([NH+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@H+]1C	ZINC000154016335	432464703	/nfs/dbraw/zinc/46/47/03/432464703.db2.gz	ATSNPRRHYOXJGS-WCQYABFASA-N	2	2	311.813	3.163	10	5		DGBELP
C[C@H]1C[C@H]([N@H+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[NH+]1C	ZINC000154016335	432464707	/nfs/dbraw/zinc/46/47/07/432464707.db2.gz	ATSNPRRHYOXJGS-WCQYABFASA-N	2	2	311.813	3.163	10	5		DGBELP
C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[NH+]1C	ZINC000154016335	432464710	/nfs/dbraw/zinc/46/47/10/432464710.db2.gz	ATSNPRRHYOXJGS-WCQYABFASA-N	2	2	311.813	3.163	10	5		DGBELP
C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C	ZINC000123397188	431863888	/nfs/dbraw/zinc/86/38/88/431863888.db2.gz	YXWUNAVUZAUUJP-RISCZKNCSA-N	2	2	311.813	3.163	10	5		DGBELP
C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C	ZINC000123397188	431863890	/nfs/dbraw/zinc/86/38/90/431863890.db2.gz	YXWUNAVUZAUUJP-RISCZKNCSA-N	2	2	311.813	3.163	10	5		DGBELP
C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])CC[NH+]1C	ZINC000123397188	431863895	/nfs/dbraw/zinc/86/38/95/431863895.db2.gz	YXWUNAVUZAUUJP-RISCZKNCSA-N	2	2	311.813	3.163	10	5		DGBELP
C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])CC[NH+]1C	ZINC000123397188	431863898	/nfs/dbraw/zinc/86/38/98/431863898.db2.gz	YXWUNAVUZAUUJP-RISCZKNCSA-N	2	2	311.813	3.163	10	5		DGBELP
CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1	ZINC000247689274	432246975	/nfs/dbraw/zinc/24/69/75/432246975.db2.gz	VOUJNAVICRUVEO-HUUCEWRRSA-N	2	2	305.422	3.320	10	5		DGBELP
CC[NH+](CC)C[C@H]1CC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1	ZINC000247689274	432246979	/nfs/dbraw/zinc/24/69/79/432246979.db2.gz	VOUJNAVICRUVEO-HUUCEWRRSA-N	2	2	305.422	3.320	10	5		DGBELP
CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1	ZINC000183372390	432286429	/nfs/dbraw/zinc/28/64/29/432286429.db2.gz	OZYZFKNPINPEJE-HNNXBMFYSA-N	2	2	305.422	3.067	10	5		DGBELP
CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1	ZINC000183372390	432286433	/nfs/dbraw/zinc/28/64/33/432286433.db2.gz	OZYZFKNPINPEJE-HNNXBMFYSA-N	2	2	305.422	3.067	10	5		DGBELP
C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1	ZINC000245455622	432833734	/nfs/dbraw/zinc/83/37/34/432833734.db2.gz	SPVGFGAPGALVRZ-HOTGVXAUSA-N	2	2	317.433	3.464	10	5		DGBELP
C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1	ZINC000245455622	432833737	/nfs/dbraw/zinc/83/37/37/432833737.db2.gz	SPVGFGAPGALVRZ-HOTGVXAUSA-N	2	2	317.433	3.464	10	5		DGBELP
C[C@@H]1C[C@@H]([NH+](C)C/C=C/c2ccccc2[N+](=O)[O-])CC[N@@H+]1C	ZINC000093643893	193281285	/nfs/dbraw/zinc/28/12/85/193281285.db2.gz	FMDWXMXQVFURNA-BIYNOUFRSA-N	2	2	303.406	3.023	10	5		DGBELP
C[C@@H]1C[C@@H]([NH+](C)C/C=C/c2ccccc2[N+](=O)[O-])CC[N@H+]1C	ZINC000093643893	193281287	/nfs/dbraw/zinc/28/12/87/193281287.db2.gz	FMDWXMXQVFURNA-BIYNOUFRSA-N	2	2	303.406	3.023	10	5		DGBELP
C[C@@H]1C[C@@H]([N@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])CC[NH+]1C	ZINC000093643893	193281289	/nfs/dbraw/zinc/28/12/89/193281289.db2.gz	FMDWXMXQVFURNA-BIYNOUFRSA-N	2	2	303.406	3.023	10	5		DGBELP
C[C@@H]1C[C@@H]([N@@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])CC[NH+]1C	ZINC000093643893	193281290	/nfs/dbraw/zinc/28/12/90/193281290.db2.gz	FMDWXMXQVFURNA-BIYNOUFRSA-N	2	2	303.406	3.023	10	5		DGBELP
C[C@@H]1C[C@H]([NH+](C)C/C=C/c2ccccc2[N+](=O)[O-])CC[N@@H+]1C	ZINC000093643891	193281743	/nfs/dbraw/zinc/28/17/43/193281743.db2.gz	FMDWXMXQVFURNA-UVMHCMFPSA-N	2	2	303.406	3.023	10	5		DGBELP
C[C@@H]1C[C@H]([NH+](C)C/C=C/c2ccccc2[N+](=O)[O-])CC[N@H+]1C	ZINC000093643891	193281744	/nfs/dbraw/zinc/28/17/44/193281744.db2.gz	FMDWXMXQVFURNA-UVMHCMFPSA-N	2	2	303.406	3.023	10	5		DGBELP
C[C@@H]1C[C@H]([N@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])CC[NH+]1C	ZINC000093643891	193281745	/nfs/dbraw/zinc/28/17/45/193281745.db2.gz	FMDWXMXQVFURNA-UVMHCMFPSA-N	2	2	303.406	3.023	10	5		DGBELP
C[C@@H]1C[C@H]([N@@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])CC[NH+]1C	ZINC000093643891	193281746	/nfs/dbraw/zinc/28/17/46/193281746.db2.gz	FMDWXMXQVFURNA-UVMHCMFPSA-N	2	2	303.406	3.023	10	5		DGBELP
CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1	ZINC000105896670	194162273	/nfs/dbraw/zinc/16/22/73/194162273.db2.gz	NLLNXUACUUHBIW-HNNXBMFYSA-N	2	2	314.389	3.191	10	5		DGBELP
CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1	ZINC000105896670	194162274	/nfs/dbraw/zinc/16/22/74/194162274.db2.gz	NLLNXUACUUHBIW-HNNXBMFYSA-N	2	2	314.389	3.191	10	5		DGBELP
CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1	ZINC000249041484	285048574	/nfs/dbraw/zinc/04/85/74/285048574.db2.gz	UUGOKBMTJSYXIL-YOEHRIQHSA-N	2	2	303.406	3.046	10	5		DGBELP
CC[N@H+]1CCC[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1	ZINC000249041484	285048576	/nfs/dbraw/zinc/04/85/76/285048576.db2.gz	UUGOKBMTJSYXIL-YOEHRIQHSA-N	2	2	303.406	3.046	10	5		DGBELP
CC[C@H]([NH2+][C@H]1C[N@@H+](C(C)C)C[C@H]1C)c1cccc([N+](=O)[O-])c1	ZINC000247076232	432200285	/nfs/dbraw/zinc/20/02/85/432200285.db2.gz	NHSLSPWJJUZHFI-COXVUDFISA-N	2	2	305.422	3.364	10	5		DGBELP
CC[C@H]([NH2+][C@H]1C[N@H+](C(C)C)C[C@H]1C)c1cccc([N+](=O)[O-])c1	ZINC000247076232	432200288	/nfs/dbraw/zinc/20/02/88/432200288.db2.gz	NHSLSPWJJUZHFI-COXVUDFISA-N	2	2	305.422	3.364	10	5		DGBELP
C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC[C@@H]1CCCC[NH+]1C	ZINC000072981245	191263917	/nfs/dbraw/zinc/26/39/17/191263917.db2.gz	MZODIGWTAHCBTL-HOCLYGCPSA-N	2	2	305.422	3.462	10	5		DGBELP
C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C	ZINC000072981245	191263919	/nfs/dbraw/zinc/26/39/19/191263919.db2.gz	MZODIGWTAHCBTL-HOCLYGCPSA-N	2	2	305.422	3.462	10	5		DGBELP
C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C	ZINC000072981245	191263921	/nfs/dbraw/zinc/26/39/21/191263921.db2.gz	MZODIGWTAHCBTL-HOCLYGCPSA-N	2	2	305.422	3.462	10	5		DGBELP
C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+](C)CC[C@@H]1CCCC[N@H+]1C	ZINC000072981245	191263922	/nfs/dbraw/zinc/26/39/22/191263922.db2.gz	MZODIGWTAHCBTL-HOCLYGCPSA-N	2	2	305.422	3.462	10	5		DGBELP
Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1	ZINC000180124483	199120444	/nfs/dbraw/zinc/12/04/44/199120444.db2.gz	MMXDQGIUVROZHV-INIZCTEOSA-N	2	2	314.389	3.073	10	5		DGBELP
Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc(C)c([N+](=O)[O-])c1	ZINC000180124483	199120446	/nfs/dbraw/zinc/12/04/46/199120446.db2.gz	MMXDQGIUVROZHV-INIZCTEOSA-N	2	2	314.389	3.073	10	5		DGBELP
Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C	ZINC000178323283	432720355	/nfs/dbraw/zinc/72/03/55/432720355.db2.gz	AOIOQJLQIDMPOY-MRXNPFEDSA-N	2	2	314.389	3.073	10	5		DGBELP
Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1C	ZINC000178323283	432720357	/nfs/dbraw/zinc/72/03/57/432720357.db2.gz	AOIOQJLQIDMPOY-MRXNPFEDSA-N	2	2	314.389	3.073	10	5		DGBELP
C[NH+]1CCC2(CCC[N@@H+]2Cc2cc([N+](=O)[O-])ccc2Cl)CC1	ZINC000375472338	433474539	/nfs/dbraw/zinc/47/45/39/433474539.db2.gz	KJKBFHAOXHGTKF-UHFFFAOYSA-N	2	2	323.824	3.308	10	5		DGBELP
C[NH+]1CCC2(CCC[N@H+]2Cc2cc([N+](=O)[O-])ccc2Cl)CC1	ZINC000375472338	433474549	/nfs/dbraw/zinc/47/45/49/433474549.db2.gz	KJKBFHAOXHGTKF-UHFFFAOYSA-N	2	2	323.824	3.308	10	5		DGBELP
CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1	ZINC000192717170	276178910	/nfs/dbraw/zinc/17/89/10/276178910.db2.gz	UUGOKBMTJSYXIL-WMLDXEAASA-N	2	2	303.406	3.046	10	5		DGBELP
CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1	ZINC000192717170	276178911	/nfs/dbraw/zinc/17/89/11/276178911.db2.gz	UUGOKBMTJSYXIL-WMLDXEAASA-N	2	2	303.406	3.046	10	5		DGBELP
Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C)c1cccc([N+](=O)[O-])c1	ZINC000178292159	432717304	/nfs/dbraw/zinc/71/73/04/432717304.db2.gz	WQJBPLXMJGRTAZ-GUYCJALGSA-N	2	2	314.389	3.325	10	5		DGBELP
Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)c1cccc([N+](=O)[O-])c1	ZINC000178292159	432717306	/nfs/dbraw/zinc/71/73/06/432717306.db2.gz	WQJBPLXMJGRTAZ-GUYCJALGSA-N	2	2	314.389	3.325	10	5		DGBELP
O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c(Cl)c1	ZINC000185224060	432479402	/nfs/dbraw/zinc/47/94/02/432479402.db2.gz	JZCYBORSZCLQKZ-CQSZACIVSA-N	2	2	320.780	3.109	10	5		DGBELP
O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c(Cl)c1	ZINC000185224060	432479408	/nfs/dbraw/zinc/47/94/08/432479408.db2.gz	JZCYBORSZCLQKZ-CQSZACIVSA-N	2	2	320.780	3.109	10	5		DGBELP
CC1=CC[N@H+](CC[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])CC1	ZINC000545865277	314271225	/nfs/dbraw/zinc/27/12/25/314271225.db2.gz	QJOKCLUZAGBDJF-INIZCTEOSA-N	2	2	317.433	3.158	10	5		DGBELP
CC1=CC[N@@H+](CC[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])CC1	ZINC000545865277	314271228	/nfs/dbraw/zinc/27/12/28/314271228.db2.gz	QJOKCLUZAGBDJF-INIZCTEOSA-N	2	2	317.433	3.158	10	5		DGBELP
C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC[C@@H]1CCCC[NH+]1C	ZINC000072981248	191264019	/nfs/dbraw/zinc/26/40/19/191264019.db2.gz	MZODIGWTAHCBTL-ZBFHGGJFSA-N	2	2	305.422	3.462	10	5		DGBELP
C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C	ZINC000072981248	191264022	/nfs/dbraw/zinc/26/40/22/191264022.db2.gz	MZODIGWTAHCBTL-ZBFHGGJFSA-N	2	2	305.422	3.462	10	5		DGBELP
C[C@H](c1cccc([N+](=O)[O-])c1)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C	ZINC000072981248	191264024	/nfs/dbraw/zinc/26/40/24/191264024.db2.gz	MZODIGWTAHCBTL-ZBFHGGJFSA-N	2	2	305.422	3.462	10	5		DGBELP
C[C@H](c1cccc([N+](=O)[O-])c1)[NH+](C)CC[C@@H]1CCCC[N@H+]1C	ZINC000072981248	191264026	/nfs/dbraw/zinc/26/40/26/191264026.db2.gz	MZODIGWTAHCBTL-ZBFHGGJFSA-N	2	2	305.422	3.462	10	5		DGBELP
O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cs1	ZINC000246423655	432128817	/nfs/dbraw/zinc/12/88/17/432128817.db2.gz	CGSGRTWAFHLXHU-DZGCQCFKSA-N	2	2	321.446	3.105	10	5		DGBELP
O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cs1	ZINC000246423655	432128821	/nfs/dbraw/zinc/12/88/21/432128821.db2.gz	CGSGRTWAFHLXHU-DZGCQCFKSA-N	2	2	321.446	3.105	10	5		DGBELP
O=[N+]([O-])c1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cs1	ZINC000246423655	432128826	/nfs/dbraw/zinc/12/88/26/432128826.db2.gz	CGSGRTWAFHLXHU-DZGCQCFKSA-N	2	2	321.446	3.105	10	5		DGBELP
O=[N+]([O-])c1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cs1	ZINC000246423655	432128828	/nfs/dbraw/zinc/12/88/28/432128828.db2.gz	CGSGRTWAFHLXHU-DZGCQCFKSA-N	2	2	321.446	3.105	10	5		DGBELP
C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1	ZINC000245455621	278310642	/nfs/dbraw/zinc/31/06/42/278310642.db2.gz	SPVGFGAPGALVRZ-CVEARBPZSA-N	2	2	317.433	3.464	10	5		DGBELP
C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1	ZINC000245455621	278310644	/nfs/dbraw/zinc/31/06/44/278310644.db2.gz	SPVGFGAPGALVRZ-CVEARBPZSA-N	2	2	317.433	3.464	10	5		DGBELP
Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C	ZINC000183385517	432288103	/nfs/dbraw/zinc/28/81/03/432288103.db2.gz	HRDIFMTZSLTKFP-KRWDZBQOSA-N	2	2	314.389	3.073	10	5		DGBELP
Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1C	ZINC000183385517	432288107	/nfs/dbraw/zinc/28/81/07/432288107.db2.gz	HRDIFMTZSLTKFP-KRWDZBQOSA-N	2	2	314.389	3.073	10	5		DGBELP
CC[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1	ZINC000249041482	285048714	/nfs/dbraw/zinc/04/87/14/285048714.db2.gz	UUGOKBMTJSYXIL-PBHICJAKSA-N	2	2	303.406	3.046	10	5		DGBELP
CC[N@H+]1CCC[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1	ZINC000249041482	285048716	/nfs/dbraw/zinc/04/87/16/285048716.db2.gz	UUGOKBMTJSYXIL-PBHICJAKSA-N	2	2	303.406	3.046	10	5		DGBELP
CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1	ZINC000076003536	279125256	/nfs/dbraw/zinc/12/52/56/279125256.db2.gz	VOUJNAVICRUVEO-GJZGRUSLSA-N	2	2	305.422	3.320	10	5		DGBELP
CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1	ZINC000076003536	279125259	/nfs/dbraw/zinc/12/52/59/279125259.db2.gz	VOUJNAVICRUVEO-GJZGRUSLSA-N	2	2	305.422	3.320	10	5		DGBELP
O=[N+]([O-])c1cccc(Cl)c1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1	ZINC000493339462	285153229	/nfs/dbraw/zinc/15/32/29/285153229.db2.gz	SYHVYJACMXQSTM-UHFFFAOYSA-N	2	2	320.780	3.351	10	5		DGBELP
C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C	ZINC000594969557	401214452	/nfs/dbraw/zinc/21/44/52/401214452.db2.gz	WWBOMVNYBDACHC-QXSWTLKVSA-N	2	2	317.433	3.461	10	5		DGBELP
C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C	ZINC000594969557	401214460	/nfs/dbraw/zinc/21/44/60/401214460.db2.gz	WWBOMVNYBDACHC-QXSWTLKVSA-N	2	2	317.433	3.461	10	5		DGBELP
CC[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1	ZINC000192717195	432404676	/nfs/dbraw/zinc/40/46/76/432404676.db2.gz	UUGOKBMTJSYXIL-RHSMWYFYSA-N	2	2	303.406	3.046	10	5		DGBELP
CC[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1	ZINC000192717195	432404678	/nfs/dbraw/zinc/40/46/78/432404678.db2.gz	UUGOKBMTJSYXIL-RHSMWYFYSA-N	2	2	303.406	3.046	10	5		DGBELP
C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1	ZINC000072718971	191220302	/nfs/dbraw/zinc/22/03/02/191220302.db2.gz	SPVGFGAPGALVRZ-HZPDHXFCSA-N	2	2	317.433	3.464	10	5		DGBELP
C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1	ZINC000072718971	191220307	/nfs/dbraw/zinc/22/03/07/191220307.db2.gz	SPVGFGAPGALVRZ-HZPDHXFCSA-N	2	2	317.433	3.464	10	5		DGBELP
CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1	ZINC000105896463	194161389	/nfs/dbraw/zinc/16/13/89/194161389.db2.gz	KEIYHVHDXWHPOD-MRXNPFEDSA-N	2	2	314.389	3.191	10	5		DGBELP
CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1	ZINC000105896463	194161391	/nfs/dbraw/zinc/16/13/91/194161391.db2.gz	KEIYHVHDXWHPOD-MRXNPFEDSA-N	2	2	314.389	3.191	10	5		DGBELP
CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1	ZINC000105896455	194162782	/nfs/dbraw/zinc/16/27/82/194162782.db2.gz	KDDNDPHHZIJRFO-INIZCTEOSA-N	2	2	314.389	3.191	10	5		DGBELP
CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1	ZINC000105896455	194162784	/nfs/dbraw/zinc/16/27/84/194162784.db2.gz	KDDNDPHHZIJRFO-INIZCTEOSA-N	2	2	314.389	3.191	10	5		DGBELP
C[C@@H]1C[C@H]([NH+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1C	ZINC000154016207	432465340	/nfs/dbraw/zinc/46/53/40/432465340.db2.gz	ATSNPRRHYOXJGS-DGCLKSJQSA-N	2	2	311.813	3.163	10	5		DGBELP
C[C@@H]1C[C@H]([NH+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@H+]1C	ZINC000154016207	432465345	/nfs/dbraw/zinc/46/53/45/432465345.db2.gz	ATSNPRRHYOXJGS-DGCLKSJQSA-N	2	2	311.813	3.163	10	5		DGBELP
C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[NH+]1C	ZINC000154016207	432465348	/nfs/dbraw/zinc/46/53/48/432465348.db2.gz	ATSNPRRHYOXJGS-DGCLKSJQSA-N	2	2	311.813	3.163	10	5		DGBELP
C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[NH+]1C	ZINC000154016207	432465353	/nfs/dbraw/zinc/46/53/53/432465353.db2.gz	ATSNPRRHYOXJGS-DGCLKSJQSA-N	2	2	311.813	3.163	10	5		DGBELP
C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C	ZINC000594969559	401214002	/nfs/dbraw/zinc/21/40/02/401214002.db2.gz	WWBOMVNYBDACHC-SHRNQRGKSA-N	2	2	317.433	3.461	10	5		DGBELP
C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C	ZINC000594969559	401214011	/nfs/dbraw/zinc/21/40/11/401214011.db2.gz	WWBOMVNYBDACHC-SHRNQRGKSA-N	2	2	317.433	3.461	10	5		DGBELP
C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[N@H+]1CC=C(C)CC1	ZINC000468623188	533408505	/nfs/dbraw/zinc/40/85/05/533408505.db2.gz	XSUWUSCXRLNYMJ-FOWTUZBSSA-N	2	2	315.417	3.240	10	5		DGBELP
C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[N@@H+]1CC=C(C)CC1	ZINC000468623188	533408510	/nfs/dbraw/zinc/40/85/10/533408510.db2.gz	XSUWUSCXRLNYMJ-FOWTUZBSSA-N	2	2	315.417	3.240	10	5		DGBELP
CC[C@H]([NH2+][C@@H]1C[N@@H+](C(C)C)C[C@H]1C)c1cccc([N+](=O)[O-])c1	ZINC000247076259	432200166	/nfs/dbraw/zinc/20/01/66/432200166.db2.gz	NHSLSPWJJUZHFI-XOKHGSTOSA-N	2	2	305.422	3.364	10	5		DGBELP
CC[C@H]([NH2+][C@@H]1C[N@H+](C(C)C)C[C@H]1C)c1cccc([N+](=O)[O-])c1	ZINC000247076259	432200170	/nfs/dbraw/zinc/20/01/70/432200170.db2.gz	NHSLSPWJJUZHFI-XOKHGSTOSA-N	2	2	305.422	3.364	10	5		DGBELP
CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1	ZINC000247688734	432247322	/nfs/dbraw/zinc/24/73/22/432247322.db2.gz	VOUJNAVICRUVEO-CABCVRRESA-N	2	2	305.422	3.320	10	5		DGBELP
CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1	ZINC000247688734	432247328	/nfs/dbraw/zinc/24/73/28/432247328.db2.gz	VOUJNAVICRUVEO-CABCVRRESA-N	2	2	305.422	3.320	10	5		DGBELP
O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC([NH+]2CCCC2)CC1	ZINC000127703352	431978225	/nfs/dbraw/zinc/97/82/25/431978225.db2.gz	VSPDXSFKZUYZQD-FNORWQNLSA-N	2	2	315.417	3.168	10	5		DGBELP
Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H](C)c1cccc([N+](=O)[O-])c1	ZINC000178292175	432716559	/nfs/dbraw/zinc/71/65/59/432716559.db2.gz	WQJBPLXMJGRTAZ-SUMWQHHRSA-N	2	2	314.389	3.325	10	5		DGBELP
Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H](C)c1cccc([N+](=O)[O-])c1	ZINC000178292175	432716561	/nfs/dbraw/zinc/71/65/61/432716561.db2.gz	WQJBPLXMJGRTAZ-SUMWQHHRSA-N	2	2	314.389	3.325	10	5		DGBELP
C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([NH+]2CCCC2)CC1	ZINC000067457244	432031372	/nfs/dbraw/zinc/03/13/72/432031372.db2.gz	WOXVENCIWASCNP-AWEZNQCLSA-N	2	2	303.406	3.216	10	5		DGBELP
CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1	ZINC000081570650	192293127	/nfs/dbraw/zinc/29/31/27/192293127.db2.gz	AGSXWFUKOVNWOP-LSDHHAIUSA-N	2	2	305.422	3.320	10	5		DGBELP
CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1	ZINC000081570650	192293128	/nfs/dbraw/zinc/29/31/28/192293128.db2.gz	AGSXWFUKOVNWOP-LSDHHAIUSA-N	2	2	305.422	3.320	10	5		DGBELP
CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1	ZINC000081570650	192293130	/nfs/dbraw/zinc/29/31/30/192293130.db2.gz	AGSXWFUKOVNWOP-LSDHHAIUSA-N	2	2	305.422	3.320	10	5		DGBELP
CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1	ZINC000081570650	192293131	/nfs/dbraw/zinc/29/31/31/192293131.db2.gz	AGSXWFUKOVNWOP-LSDHHAIUSA-N	2	2	305.422	3.320	10	5		DGBELP
C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC([NH+](C)C)CC1	ZINC000470182217	533383030	/nfs/dbraw/zinc/38/30/30/533383030.db2.gz	KABZFLBUPCBIGN-KAMYIIQDSA-N	2	2	303.406	3.024	10	5		DGBELP
CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1	ZINC000183372404	432286791	/nfs/dbraw/zinc/28/67/91/432286791.db2.gz	OZYZFKNPINPEJE-OAHLLOKOSA-N	2	2	305.422	3.067	10	5		DGBELP
CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1	ZINC000183372404	432286794	/nfs/dbraw/zinc/28/67/94/432286794.db2.gz	OZYZFKNPINPEJE-OAHLLOKOSA-N	2	2	305.422	3.067	10	5		DGBELP
C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC[C@H]1CCCC[NH+]1C	ZINC000248446509	432291771	/nfs/dbraw/zinc/29/17/71/432291771.db2.gz	MZODIGWTAHCBTL-GDBMZVCRSA-N	2	2	305.422	3.462	10	5		DGBELP
C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC[C@H]1CCCC[NH+]1C	ZINC000248446509	432291774	/nfs/dbraw/zinc/29/17/74/432291774.db2.gz	MZODIGWTAHCBTL-GDBMZVCRSA-N	2	2	305.422	3.462	10	5		DGBELP
C[C@H](c1cccc([N+](=O)[O-])c1)[NH+](C)CC[C@H]1CCCC[N@@H+]1C	ZINC000248446509	432291778	/nfs/dbraw/zinc/29/17/78/432291778.db2.gz	MZODIGWTAHCBTL-GDBMZVCRSA-N	2	2	305.422	3.462	10	5		DGBELP
C[C@H](c1cccc([N+](=O)[O-])c1)[NH+](C)CC[C@H]1CCCC[N@H+]1C	ZINC000248446509	432291782	/nfs/dbraw/zinc/29/17/82/432291782.db2.gz	MZODIGWTAHCBTL-GDBMZVCRSA-N	2	2	305.422	3.462	10	5		DGBELP
CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1	ZINC000245412262	432828303	/nfs/dbraw/zinc/82/83/03/432828303.db2.gz	AGSXWFUKOVNWOP-CABCVRRESA-N	2	2	305.422	3.320	10	5		DGBELP
CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1	ZINC000245412262	432828308	/nfs/dbraw/zinc/82/83/08/432828308.db2.gz	AGSXWFUKOVNWOP-CABCVRRESA-N	2	2	305.422	3.320	10	5		DGBELP
CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1	ZINC000245412262	432828310	/nfs/dbraw/zinc/82/83/10/432828310.db2.gz	AGSXWFUKOVNWOP-CABCVRRESA-N	2	2	305.422	3.320	10	5		DGBELP
CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1	ZINC000245412262	432828312	/nfs/dbraw/zinc/82/83/12/432828312.db2.gz	AGSXWFUKOVNWOP-CABCVRRESA-N	2	2	305.422	3.320	10	5		DGBELP
C[C@H]1C[C@@H]([NH+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C	ZINC000123397411	431863801	/nfs/dbraw/zinc/86/38/01/431863801.db2.gz	YXWUNAVUZAUUJP-FZMZJTMJSA-N	2	2	311.813	3.163	10	5		DGBELP
C[C@H]1C[C@@H]([NH+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C	ZINC000123397411	431863803	/nfs/dbraw/zinc/86/38/03/431863803.db2.gz	YXWUNAVUZAUUJP-FZMZJTMJSA-N	2	2	311.813	3.163	10	5		DGBELP
C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])CC[NH+]1C	ZINC000123397411	431863804	/nfs/dbraw/zinc/86/38/04/431863804.db2.gz	YXWUNAVUZAUUJP-FZMZJTMJSA-N	2	2	311.813	3.163	10	5		DGBELP
C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])CC[NH+]1C	ZINC000123397411	431863805	/nfs/dbraw/zinc/86/38/05/431863805.db2.gz	YXWUNAVUZAUUJP-FZMZJTMJSA-N	2	2	311.813	3.163	10	5		DGBELP
Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C	ZINC000183385494	432289046	/nfs/dbraw/zinc/28/90/46/432289046.db2.gz	HRDIFMTZSLTKFP-QGZVFWFLSA-N	2	2	314.389	3.073	10	5		DGBELP
Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1C	ZINC000183385494	432289049	/nfs/dbraw/zinc/28/90/49/432289049.db2.gz	HRDIFMTZSLTKFP-QGZVFWFLSA-N	2	2	314.389	3.073	10	5		DGBELP
C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([NH2+]CC2CC2)CC1	ZINC000262307122	432481391	/nfs/dbraw/zinc/48/13/91/432481391.db2.gz	PHPOHDZSJAUNGP-CYBMUJFWSA-N	2	2	303.406	3.120	10	5		DGBELP
C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1	ZINC000261993397	432467690	/nfs/dbraw/zinc/46/76/90/432467690.db2.gz	PESLXTMHTFABNM-JEBQAFNWSA-N	2	2	311.385	3.083	10	5		DGBELP
C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1	ZINC000261993397	432467692	/nfs/dbraw/zinc/46/76/92/432467692.db2.gz	PESLXTMHTFABNM-JEBQAFNWSA-N	2	2	311.385	3.083	10	5		DGBELP
C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1	ZINC000261993395	432467797	/nfs/dbraw/zinc/46/77/97/432467797.db2.gz	PESLXTMHTFABNM-DOPJRALCSA-N	2	2	311.385	3.083	10	5		DGBELP
C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1	ZINC000261993395	432467799	/nfs/dbraw/zinc/46/77/99/432467799.db2.gz	PESLXTMHTFABNM-DOPJRALCSA-N	2	2	311.385	3.083	10	5		DGBELP
C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([NH+]2CCCC2)CC1	ZINC000067457246	432031489	/nfs/dbraw/zinc/03/14/89/432031489.db2.gz	WOXVENCIWASCNP-CQSZACIVSA-N	2	2	303.406	3.216	10	5		DGBELP
C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1	ZINC000150836486	432194556	/nfs/dbraw/zinc/19/45/56/432194556.db2.gz	NELZBYLQLQKFTR-LSDHHAIUSA-N	2	2	303.406	3.074	10	5		DGBELP
C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1	ZINC000150836486	432194560	/nfs/dbraw/zinc/19/45/60/432194560.db2.gz	NELZBYLQLQKFTR-LSDHHAIUSA-N	2	2	303.406	3.074	10	5		DGBELP
CC(C)c1ccc(C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1[N+](=O)[O-]	ZINC000261669393	278036451	/nfs/dbraw/zinc/03/64/51/278036451.db2.gz	IWXBIZQISMJTCH-INIZCTEOSA-N	2	2	305.422	3.277	10	5		DGBELP
CC(C)c1ccc(C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1[N+](=O)[O-]	ZINC000261669393	278036453	/nfs/dbraw/zinc/03/64/53/278036453.db2.gz	IWXBIZQISMJTCH-INIZCTEOSA-N	2	2	305.422	3.277	10	5		DGBELP
CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1	ZINC000076003538	431514363	/nfs/dbraw/zinc/51/43/63/431514363.db2.gz	VOUJNAVICRUVEO-LSDHHAIUSA-N	2	2	305.422	3.320	10	5		DGBELP
CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1	ZINC000076003538	431514370	/nfs/dbraw/zinc/51/43/70/431514370.db2.gz	VOUJNAVICRUVEO-LSDHHAIUSA-N	2	2	305.422	3.320	10	5		DGBELP
C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1	ZINC000246198194	432105923	/nfs/dbraw/zinc/10/59/23/432105923.db2.gz	NELZBYLQLQKFTR-GJZGRUSLSA-N	2	2	303.406	3.074	10	5		DGBELP
C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1	ZINC000246198194	432105926	/nfs/dbraw/zinc/10/59/26/432105926.db2.gz	NELZBYLQLQKFTR-GJZGRUSLSA-N	2	2	303.406	3.074	10	5		DGBELP
C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC[C@H]1CCCC[NH+]1C	ZINC000248446512	432292040	/nfs/dbraw/zinc/29/20/40/432292040.db2.gz	MZODIGWTAHCBTL-GOEBONIOSA-N	2	2	305.422	3.462	10	5		DGBELP
C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC[C@H]1CCCC[NH+]1C	ZINC000248446512	432292042	/nfs/dbraw/zinc/29/20/42/432292042.db2.gz	MZODIGWTAHCBTL-GOEBONIOSA-N	2	2	305.422	3.462	10	5		DGBELP
C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+](C)CC[C@H]1CCCC[N@@H+]1C	ZINC000248446512	432292045	/nfs/dbraw/zinc/29/20/45/432292045.db2.gz	MZODIGWTAHCBTL-GOEBONIOSA-N	2	2	305.422	3.462	10	5		DGBELP
C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+](C)CC[C@H]1CCCC[N@H+]1C	ZINC000248446512	432292049	/nfs/dbraw/zinc/29/20/49/432292049.db2.gz	MZODIGWTAHCBTL-GOEBONIOSA-N	2	2	305.422	3.462	10	5		DGBELP
O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cs1	ZINC000134880337	432087906	/nfs/dbraw/zinc/08/79/06/432087906.db2.gz	CGSGRTWAFHLXHU-UKRRQHHQSA-N	2	2	321.446	3.105	10	5		DGBELP
O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cs1	ZINC000134880337	432087909	/nfs/dbraw/zinc/08/79/09/432087909.db2.gz	CGSGRTWAFHLXHU-UKRRQHHQSA-N	2	2	321.446	3.105	10	5		DGBELP
O=[N+]([O-])c1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cs1	ZINC000134880337	432087910	/nfs/dbraw/zinc/08/79/10/432087910.db2.gz	CGSGRTWAFHLXHU-UKRRQHHQSA-N	2	2	321.446	3.105	10	5		DGBELP
O=[N+]([O-])c1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cs1	ZINC000134880337	432087912	/nfs/dbraw/zinc/08/79/12/432087912.db2.gz	CGSGRTWAFHLXHU-UKRRQHHQSA-N	2	2	321.446	3.105	10	5		DGBELP
C[C@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1	ZINC000151532040	432253650	/nfs/dbraw/zinc/25/36/50/432253650.db2.gz	IVWLYWMUHZAKQD-ZDUSSCGKSA-N	2	2	323.356	3.026	10	5		DGBELP
C[C@@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1	ZINC000151532102	432255029	/nfs/dbraw/zinc/25/50/29/432255029.db2.gz	IVWLYWMUHZAKQD-CYBMUJFWSA-N	2	2	323.356	3.026	10	5		DGBELP
C[C@@H]1C[C@H]([NH+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C	ZINC000123396680	431863909	/nfs/dbraw/zinc/86/39/09/431863909.db2.gz	YXWUNAVUZAUUJP-BXUZGUMPSA-N	2	2	311.813	3.163	10	5		DGBELP
C[C@@H]1C[C@H]([NH+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C	ZINC000123396680	431863911	/nfs/dbraw/zinc/86/39/11/431863911.db2.gz	YXWUNAVUZAUUJP-BXUZGUMPSA-N	2	2	311.813	3.163	10	5		DGBELP
C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])CC[NH+]1C	ZINC000123396680	431863914	/nfs/dbraw/zinc/86/39/14/431863914.db2.gz	YXWUNAVUZAUUJP-BXUZGUMPSA-N	2	2	311.813	3.163	10	5		DGBELP
C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])CC[NH+]1C	ZINC000123396680	431863917	/nfs/dbraw/zinc/86/39/17/431863917.db2.gz	YXWUNAVUZAUUJP-BXUZGUMPSA-N	2	2	311.813	3.163	10	5		DGBELP