smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+]	ZINC000592477184	377838315	/nfs/dbraw/zinc/83/83/15/377838315.db2.gz	SDOSQEGUCANOJM-BXUZGUMPSA-N	2	2	349.391	-0.186	20	5		EBBDLP
C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+]	ZINC000592477184	377838322	/nfs/dbraw/zinc/83/83/22/377838322.db2.gz	SDOSQEGUCANOJM-BXUZGUMPSA-N	2	2	349.391	-0.186	20	5		EBBDLP
Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CC[NH3+])C[C@H](O)CO	ZINC000595901777	378034803	/nfs/dbraw/zinc/03/48/03/378034803.db2.gz	ISIAUXMRJQNGFX-ZDUSSCGKSA-N	2	2	340.380	-0.154	20	5		EBBDLP
Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CC[NH3+])C[C@H](O)CO	ZINC000595901777	378034806	/nfs/dbraw/zinc/03/48/06/378034806.db2.gz	ISIAUXMRJQNGFX-ZDUSSCGKSA-N	2	2	340.380	-0.154	20	5		EBBDLP
NC(=O)c1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c([N+](=O)[O-])c1	ZINC000581321525	381070394	/nfs/dbraw/zinc/07/03/94/381070394.db2.gz	OBTOLYVWOOBWCP-VXGBXAGGSA-N	2	2	333.348	-0.563	20	5		EBBDLP
NC(=O)c1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c([N+](=O)[O-])c1	ZINC000581321525	381070408	/nfs/dbraw/zinc/07/04/08/381070408.db2.gz	OBTOLYVWOOBWCP-VXGBXAGGSA-N	2	2	333.348	-0.563	20	5		EBBDLP
COC(=O)[C@H]1C[N@H+](C)CCN1c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1	ZINC001157781338	831593201	/nfs/dbraw/zinc/59/32/01/831593201.db2.gz	SECRABBAOJZUQU-LLVKDONJSA-N	2	2	336.352	-0.635	20	5		EBBDLP
COC(=O)[C@H]1C[N@@H+](C)CCN1c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1	ZINC001157781338	831593204	/nfs/dbraw/zinc/59/32/04/831593204.db2.gz	SECRABBAOJZUQU-LLVKDONJSA-N	2	2	336.352	-0.635	20	5		EBBDLP
C[C@@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[NH+]1CCOCC1	ZINC000591743617	377754816	/nfs/dbraw/zinc/75/48/16/377754816.db2.gz	PVOBOSRBYSBBDK-JSGCOSHPSA-N	2	2	327.385	-0.290	20	5		EBBDLP
C[C@@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[NH+]1CCOCC1	ZINC000591743616	377755272	/nfs/dbraw/zinc/75/52/72/377755272.db2.gz	PVOBOSRBYSBBDK-GXTWGEPZSA-N	2	2	327.385	-0.290	20	5		EBBDLP
C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCn2cc([N+](=O)[O-])cn2)C[C@H](C)O1	ZINC000516965829	419089945	/nfs/dbraw/zinc/08/99/45/419089945.db2.gz	NUYDAOHYSXILPZ-MBNYWOFBSA-N	2	2	327.385	-0.149	20	5		EBBDLP
C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCn2cc([N+](=O)[O-])cn2)C[C@H](C)O1	ZINC000516965829	419089949	/nfs/dbraw/zinc/08/99/49/419089949.db2.gz	NUYDAOHYSXILPZ-MBNYWOFBSA-N	2	2	327.385	-0.149	20	5		EBBDLP
Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1	ZINC001023158774	729623078	/nfs/dbraw/zinc/62/30/78/729623078.db2.gz	GRKUTGLAHKWVRO-PHIMTYICSA-N	2	2	333.352	-0.038	20	5		EBBDLP
CC(=O)Nc1nc(C)c([N+](=O)[O-])c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1	ZINC001158209200	831639881	/nfs/dbraw/zinc/63/98/81/831639881.db2.gz	KSKZSQAOCHRRQO-SECBINFHSA-N	2	2	335.324	-0.301	20	5		EBBDLP
[NH3+]CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@H](O)CO	ZINC000595901151	378034711	/nfs/dbraw/zinc/03/47/11/378034711.db2.gz	BPAGTTDPCVGKKS-ZDUSSCGKSA-N	2	2	326.353	-0.463	20	5		EBBDLP
[NH3+]CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@H](O)CO	ZINC000595901151	378034715	/nfs/dbraw/zinc/03/47/15/378034715.db2.gz	BPAGTTDPCVGKKS-ZDUSSCGKSA-N	2	2	326.353	-0.463	20	5		EBBDLP
Cc1cc(C(=O)NCC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])ccc1[N+](=O)[O-]	ZINC000570716387	378513346	/nfs/dbraw/zinc/51/33/46/378513346.db2.gz	IOABPXQEGIXJDP-ZDUSSCGKSA-N	2	2	349.391	-0.266	20	5		EBBDLP
Cc1cc(C(=O)NCC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])ccc1[N+](=O)[O-]	ZINC000570716387	378513359	/nfs/dbraw/zinc/51/33/59/378513359.db2.gz	IOABPXQEGIXJDP-ZDUSSCGKSA-N	2	2	349.391	-0.266	20	5		EBBDLP
C[N@@H+]1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1	ZINC000571796547	378557843	/nfs/dbraw/zinc/55/78/43/378557843.db2.gz	BBLNRSIUWVFOPA-CQSZACIVSA-N	2	2	349.391	-0.184	20	5		EBBDLP
C[N@H+]1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1	ZINC000571796547	378557852	/nfs/dbraw/zinc/55/78/52/378557852.db2.gz	BBLNRSIUWVFOPA-CQSZACIVSA-N	2	2	349.391	-0.184	20	5		EBBDLP
O=C(N1CC[NH2+]CC1)N1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1	ZINC000600714485	379658693	/nfs/dbraw/zinc/65/86/93/379658693.db2.gz	SMAPVCZURWJMLP-UHFFFAOYSA-N	2	2	337.384	-0.566	20	5		EBBDLP
Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)CC[NH+]1CCOCC1	ZINC001135350445	829953105	/nfs/dbraw/zinc/95/31/05/829953105.db2.gz	YDXPXGPXIGPGKJ-UHFFFAOYSA-N	2	2	340.384	-0.744	20	5		EBBDLP
C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cn3cnc([N+](=O)[O-])n3)C2)CC1	ZINC001322765122	839254838	/nfs/dbraw/zinc/25/48/38/839254838.db2.gz	AJVJYOWTYWKRAF-NSHDSACASA-N	2	2	337.384	-0.529	20	5		EBBDLP
C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cn3cnc([N+](=O)[O-])n3)C2)CC1	ZINC001322765122	839254848	/nfs/dbraw/zinc/25/48/48/839254848.db2.gz	AJVJYOWTYWKRAF-NSHDSACASA-N	2	2	337.384	-0.529	20	5		EBBDLP
O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1	ZINC001118566356	826960771	/nfs/dbraw/zinc/96/07/71/826960771.db2.gz	JNDUBTFJTUOCPQ-GJZGRUSLSA-N	2	2	339.396	-0.317	20	5		EBBDLP
O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)c1	ZINC001118566356	826960773	/nfs/dbraw/zinc/96/07/73/826960773.db2.gz	JNDUBTFJTUOCPQ-GJZGRUSLSA-N	2	2	339.396	-0.317	20	5		EBBDLP
[NH3+]C[C@@]1(Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C[NH+]2CCC1CC2	ZINC001160518013	831860212	/nfs/dbraw/zinc/86/02/12/831860212.db2.gz	UDWOVRVZDPJRAC-OAHLLOKOSA-N	3	2	333.396	-0.093	20	5		EBBDLP
O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC([NH+]3CCOCC3)CC2)c1	ZINC000599473996	378248533	/nfs/dbraw/zinc/24/85/33/378248533.db2.gz	DPIYWVYKSDIKIR-HNNXBMFYSA-N	2	2	339.396	-0.051	20	5		EBBDLP
Cn1cc[nH+]c1N1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000266965575	154360285	/nfs/dbraw/zinc/36/02/85/154360285.db2.gz	XXXIZHVEZXBTRU-ZDUSSCGKSA-N	2	2	335.368	-0.292	20	5		EBBDLP
O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H]2CCC[N@H+]2CCCO)c1	ZINC000516467998	272887269	/nfs/dbraw/zinc/88/72/69/272887269.db2.gz	MIHMDBLTQSZGII-GXTWGEPZSA-N	2	2	327.385	-0.411	20	5		EBBDLP
O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H]2CCC[N@@H+]2CCCO)c1	ZINC000516467998	272887271	/nfs/dbraw/zinc/88/72/71/272887271.db2.gz	MIHMDBLTQSZGII-GXTWGEPZSA-N	2	2	327.385	-0.411	20	5		EBBDLP
O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1	ZINC001118566357	826960525	/nfs/dbraw/zinc/96/05/25/826960525.db2.gz	JNDUBTFJTUOCPQ-HUUCEWRRSA-N	2	2	339.396	-0.317	20	5		EBBDLP
O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1	ZINC001118566357	826960534	/nfs/dbraw/zinc/96/05/34/826960534.db2.gz	JNDUBTFJTUOCPQ-HUUCEWRRSA-N	2	2	339.396	-0.317	20	5		EBBDLP
COc1nc(NC(=[NH2+])N2CC[NH+](C)CC2)nc(OC)c1[N+](=O)[O-]	ZINC001157915923	831607256	/nfs/dbraw/zinc/60/72/56/831607256.db2.gz	ZXZSQYXFVWQRLU-UHFFFAOYSA-N	2	2	325.329	-0.004	20	5		EBBDLP
[NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncnc(N2CCOCC2)c1[N+](=O)[O-]	ZINC001169072167	832446565	/nfs/dbraw/zinc/44/65/65/832446565.db2.gz	JUAUUYFALQYLNF-SNVBAGLBSA-N	2	2	349.351	-0.731	20	5		EBBDLP
Cn1cnc([N+](=O)[O-])c1C[NH2+]C/C=C/CNC(=O)Cn1cc[nH+]c1	ZINC001483100770	1126332901	/nfs/dbraw/zinc/33/29/01/1126332901.db2.gz	NUDHYGASNZLCSN-NSCUHMNNSA-N	2	2	333.352	-0.013	20	5		EBBDLP
C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1	ZINC000593902070	377920244	/nfs/dbraw/zinc/92/02/44/377920244.db2.gz	NCWSGDPWWUIBLT-ZDUSSCGKSA-N	2	2	336.396	-0.083	20	5		EBBDLP
O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)c1	ZINC000573967432	379171934	/nfs/dbraw/zinc/17/19/34/379171934.db2.gz	WWCQEGWALROPNY-JSGCOSHPSA-N	2	2	327.385	-0.411	20	5		EBBDLP
O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)c1	ZINC000573967432	379171947	/nfs/dbraw/zinc/17/19/47/379171947.db2.gz	WWCQEGWALROPNY-JSGCOSHPSA-N	2	2	327.385	-0.411	20	5		EBBDLP
COCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000582176238	381504498	/nfs/dbraw/zinc/50/44/98/381504498.db2.gz	JKVNVXSJKKUJMD-GXTWGEPZSA-N	2	2	327.385	-0.147	20	5		EBBDLP
COCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000582176238	381504510	/nfs/dbraw/zinc/50/45/10/381504510.db2.gz	JKVNVXSJKKUJMD-GXTWGEPZSA-N	2	2	327.385	-0.147	20	5		EBBDLP
C[N@@H+]1CCO[C@@H](CNc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C1	ZINC001155193336	831390230	/nfs/dbraw/zinc/39/02/30/831390230.db2.gz	DZILSFTYMYKEDG-NSHDSACASA-N	2	2	337.384	-0.463	20	5		EBBDLP
C[N@H+]1CCO[C@@H](CNc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C1	ZINC001155193336	831390238	/nfs/dbraw/zinc/39/02/38/831390238.db2.gz	DZILSFTYMYKEDG-NSHDSACASA-N	2	2	337.384	-0.463	20	5		EBBDLP
CC(C)[NH2+]C1(CO)CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000584728774	381204992	/nfs/dbraw/zinc/20/49/92/381204992.db2.gz	WBPQFVXXEXIMJF-AWEZNQCLSA-N	2	2	341.412	-0.023	20	5		EBBDLP
COCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000582176240	381503846	/nfs/dbraw/zinc/50/38/46/381503846.db2.gz	JKVNVXSJKKUJMD-OCCSQVGLSA-N	2	2	327.385	-0.147	20	5		EBBDLP
COCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000582176240	381503855	/nfs/dbraw/zinc/50/38/55/381503855.db2.gz	JKVNVXSJKKUJMD-OCCSQVGLSA-N	2	2	327.385	-0.147	20	5		EBBDLP
COCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000582176241	381505026	/nfs/dbraw/zinc/50/50/26/381505026.db2.gz	JKVNVXSJKKUJMD-TZMCWYRMSA-N	2	2	327.385	-0.147	20	5		EBBDLP
COCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000582176241	381505035	/nfs/dbraw/zinc/50/50/35/381505035.db2.gz	JKVNVXSJKKUJMD-TZMCWYRMSA-N	2	2	327.385	-0.147	20	5		EBBDLP
C[NH+](C)/C=C/c1cc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)ncc1[N+](=O)[O-]	ZINC001162446163	832045310	/nfs/dbraw/zinc/04/53/10/832045310.db2.gz	HDUBCJPZIMNEQX-UCLKDPGMSA-N	2	2	334.384	-0.981	20	5		EBBDLP
O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H]2CCC[N@H+]2CCCO)c1	ZINC000516468001	419089907	/nfs/dbraw/zinc/08/99/07/419089907.db2.gz	MIHMDBLTQSZGII-TZMCWYRMSA-N	2	2	327.385	-0.411	20	5		EBBDLP
O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H]2CCC[N@@H+]2CCCO)c1	ZINC000516468001	419089910	/nfs/dbraw/zinc/08/99/10/419089910.db2.gz	MIHMDBLTQSZGII-TZMCWYRMSA-N	2	2	327.385	-0.411	20	5		EBBDLP
Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1	ZINC001026146303	730125431	/nfs/dbraw/zinc/12/54/31/730125431.db2.gz	OQVGNFSFADZVEE-JYAVWHMHSA-N	2	2	348.407	-0.030	20	5		EBBDLP
Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1	ZINC001026146303	730125436	/nfs/dbraw/zinc/12/54/36/730125436.db2.gz	OQVGNFSFADZVEE-JYAVWHMHSA-N	2	2	348.407	-0.030	20	5		EBBDLP
C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1C[N@H+](C)CCN1C	ZINC001353316899	832422094	/nfs/dbraw/zinc/42/20/94/832422094.db2.gz	RHHXCZVLUXIBHG-YUTCNCBUSA-N	2	2	326.401	-0.624	20	5		EBBDLP
C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1C[N@@H+](C)CCN1C	ZINC001353316899	832422098	/nfs/dbraw/zinc/42/20/98/832422098.db2.gz	RHHXCZVLUXIBHG-YUTCNCBUSA-N	2	2	326.401	-0.624	20	5		EBBDLP
O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H]2CCCC[N@H+]2CCO)c1	ZINC000573967434	379172102	/nfs/dbraw/zinc/17/21/02/379172102.db2.gz	WWCQEGWALROPNY-TZMCWYRMSA-N	2	2	327.385	-0.411	20	5		EBBDLP
O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)c1	ZINC000573967434	379172111	/nfs/dbraw/zinc/17/21/11/379172111.db2.gz	WWCQEGWALROPNY-TZMCWYRMSA-N	2	2	327.385	-0.411	20	5		EBBDLP
O=C(N1CC[NH2+]CC1)N1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1	ZINC000600714382	379658138	/nfs/dbraw/zinc/65/81/38/379658138.db2.gz	QTKFHLAZIYBFMO-UHFFFAOYSA-N	2	2	337.384	-0.566	20	5		EBBDLP
NC(=O)c1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c([N+](=O)[O-])c1	ZINC000581321523	381070987	/nfs/dbraw/zinc/07/09/87/381070987.db2.gz	OBTOLYVWOOBWCP-NWDGAFQWSA-N	2	2	333.348	-0.563	20	5		EBBDLP
NC(=O)c1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c([N+](=O)[O-])c1	ZINC000581321523	381070998	/nfs/dbraw/zinc/07/09/98/381070998.db2.gz	OBTOLYVWOOBWCP-NWDGAFQWSA-N	2	2	333.348	-0.563	20	5		EBBDLP
O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H]2CCC[N@H+]2CCCO)c1	ZINC000516467999	419090691	/nfs/dbraw/zinc/09/06/91/419090691.db2.gz	MIHMDBLTQSZGII-JSGCOSHPSA-N	2	2	327.385	-0.411	20	5		EBBDLP
O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H]2CCC[N@@H+]2CCCO)c1	ZINC000516467999	419090697	/nfs/dbraw/zinc/09/06/97/419090697.db2.gz	MIHMDBLTQSZGII-JSGCOSHPSA-N	2	2	327.385	-0.411	20	5		EBBDLP
Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)CCc1c[nH+]cn1C	ZINC001149552937	830693998	/nfs/dbraw/zinc/69/39/98/830693998.db2.gz	BNWZIXUCVIUWEK-UHFFFAOYSA-N	2	2	335.368	-0.100	20	5		EBBDLP
C[C@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[NH+]1CCOCC1	ZINC000591743619	377755457	/nfs/dbraw/zinc/75/54/57/377755457.db2.gz	PVOBOSRBYSBBDK-TZMCWYRMSA-N	2	2	327.385	-0.290	20	5		EBBDLP
C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+]	ZINC000592477187	377838608	/nfs/dbraw/zinc/83/86/08/377838608.db2.gz	SDOSQEGUCANOJM-RISCZKNCSA-N	2	2	349.391	-0.186	20	5		EBBDLP
C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+]	ZINC000592477187	377838612	/nfs/dbraw/zinc/83/86/12/377838612.db2.gz	SDOSQEGUCANOJM-RISCZKNCSA-N	2	2	349.391	-0.186	20	5		EBBDLP
NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000600756244	379658410	/nfs/dbraw/zinc/65/84/10/379658410.db2.gz	USJDFKLENUDIHL-STQMWFEESA-N	2	2	340.384	-0.918	20	5		EBBDLP
NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000600756244	379658418	/nfs/dbraw/zinc/65/84/18/379658418.db2.gz	USJDFKLENUDIHL-STQMWFEESA-N	2	2	340.384	-0.918	20	5		EBBDLP
O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)c1	ZINC000438726093	265259176	/nfs/dbraw/zinc/25/91/76/265259176.db2.gz	RQBSPKMJGGHDSM-CYBMUJFWSA-N	2	2	335.368	-0.307	20	5		EBBDLP
CCOC(=O)[C@H]([NH3+])CNc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-]	ZINC001161944933	832005271	/nfs/dbraw/zinc/00/52/71/832005271.db2.gz	AYZOMYOWPJRBBT-SECBINFHSA-N	2	2	339.356	-0.903	20	5		EBBDLP
[NH3+]CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H](O)CO	ZINC000595903661	378036100	/nfs/dbraw/zinc/03/61/00/378036100.db2.gz	ZKVHYPHCPTUBOC-NSHDSACASA-N	2	2	326.353	-0.463	20	5		EBBDLP
[NH3+]CC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H](O)CO	ZINC000595903661	378036103	/nfs/dbraw/zinc/03/61/03/378036103.db2.gz	ZKVHYPHCPTUBOC-NSHDSACASA-N	2	2	326.353	-0.463	20	5		EBBDLP
CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000353844077	379701426	/nfs/dbraw/zinc/70/14/26/379701426.db2.gz	SVEZQBXRRFYODJ-UHFFFAOYSA-N	2	2	339.400	-0.329	20	5		EBBDLP
CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000353844077	379701435	/nfs/dbraw/zinc/70/14/35/379701435.db2.gz	SVEZQBXRRFYODJ-UHFFFAOYSA-N	2	2	339.400	-0.329	20	5		EBBDLP
O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1	ZINC000247493976	154187187	/nfs/dbraw/zinc/18/71/87/154187187.db2.gz	LDIYITGURVULKG-ZFWWWQNUSA-N	2	2	339.396	-0.194	20	5		EBBDLP
O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1	ZINC000247493976	154187190	/nfs/dbraw/zinc/18/71/90/154187190.db2.gz	LDIYITGURVULKG-ZFWWWQNUSA-N	2	2	339.396	-0.194	20	5		EBBDLP
C[NH+](C)/C=C/c1cc(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)ncc1[N+](=O)[O-]	ZINC001162446160	832044686	/nfs/dbraw/zinc/04/46/86/832044686.db2.gz	HDUBCJPZIMNEQX-FOSLFWNOSA-N	2	2	334.384	-0.981	20	5		EBBDLP
[NH3+]CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C[C@H](O)CO	ZINC000852753931	584215501	/nfs/dbraw/zinc/21/55/01/584215501.db2.gz	WDEWRUKHYRKERH-NSHDSACASA-N	2	2	344.343	-0.324	20	5		EBBDLP
[NH3+]CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C[C@H](O)CO	ZINC000852753931	584215504	/nfs/dbraw/zinc/21/55/04/584215504.db2.gz	WDEWRUKHYRKERH-NSHDSACASA-N	2	2	344.343	-0.324	20	5		EBBDLP
C[NH+](C)/C=C/c1cc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)ncc1[N+](=O)[O-]	ZINC001162446161	832044783	/nfs/dbraw/zinc/04/47/83/832044783.db2.gz	HDUBCJPZIMNEQX-FYJZFVKYSA-N	2	2	334.384	-0.981	20	5		EBBDLP
C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1C[N@H+](C)CCN1C	ZINC001353316898	832422226	/nfs/dbraw/zinc/42/22/26/832422226.db2.gz	RHHXCZVLUXIBHG-UBHSHLNASA-N	2	2	326.401	-0.624	20	5		EBBDLP
C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1C[N@@H+](C)CCN1C	ZINC001353316898	832422229	/nfs/dbraw/zinc/42/22/29/832422229.db2.gz	RHHXCZVLUXIBHG-UBHSHLNASA-N	2	2	326.401	-0.624	20	5		EBBDLP
C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC[NH+](CCO)CC1	ZINC000438718148	265259304	/nfs/dbraw/zinc/25/93/04/265259304.db2.gz	WOLTUCLAMSTNJE-CQSZACIVSA-N	2	2	327.385	-0.459	20	5		EBBDLP
C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC[NH+](CCO)CC1	ZINC000438718148	265259307	/nfs/dbraw/zinc/25/93/07/265259307.db2.gz	WOLTUCLAMSTNJE-CQSZACIVSA-N	2	2	327.385	-0.459	20	5		EBBDLP
C[N@@H+]1CCO[C@H](CNc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C1	ZINC001155193334	831390433	/nfs/dbraw/zinc/39/04/33/831390433.db2.gz	DZILSFTYMYKEDG-LLVKDONJSA-N	2	2	337.384	-0.463	20	5		EBBDLP
C[N@H+]1CCO[C@H](CNc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C1	ZINC001155193334	831390440	/nfs/dbraw/zinc/39/04/40/831390440.db2.gz	DZILSFTYMYKEDG-LLVKDONJSA-N	2	2	337.384	-0.463	20	5		EBBDLP
C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+]	ZINC000592477185	377838459	/nfs/dbraw/zinc/83/84/59/377838459.db2.gz	SDOSQEGUCANOJM-FZMZJTMJSA-N	2	2	349.391	-0.186	20	5		EBBDLP
C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+]	ZINC000592477185	377838462	/nfs/dbraw/zinc/83/84/62/377838462.db2.gz	SDOSQEGUCANOJM-FZMZJTMJSA-N	2	2	349.391	-0.186	20	5		EBBDLP
Cc1c(NC(=O)CC[N@H+](CC[NH3+])C[C@@H](O)CO)cccc1[N+](=O)[O-]	ZINC000595901516	378034366	/nfs/dbraw/zinc/03/43/66/378034366.db2.gz	FDBBFLUDECNYPK-GFCCVEGCSA-N	2	2	340.380	-0.154	20	5		EBBDLP
Cc1c(NC(=O)CC[N@@H+](CC[NH3+])C[C@@H](O)CO)cccc1[N+](=O)[O-]	ZINC000595901516	378034370	/nfs/dbraw/zinc/03/43/70/378034370.db2.gz	FDBBFLUDECNYPK-GFCCVEGCSA-N	2	2	340.380	-0.154	20	5		EBBDLP
NC(=O)c1ccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c([N+](=O)[O-])c1	ZINC000581321524	381071494	/nfs/dbraw/zinc/07/14/94/381071494.db2.gz	OBTOLYVWOOBWCP-RYUDHWBXSA-N	2	2	333.348	-0.563	20	5		EBBDLP
NC(=O)c1ccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c([N+](=O)[O-])c1	ZINC000581321524	381071500	/nfs/dbraw/zinc/07/15/00/381071500.db2.gz	OBTOLYVWOOBWCP-RYUDHWBXSA-N	2	2	333.348	-0.563	20	5		EBBDLP
O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H]2CCC[N@H+]2CCCO)c1	ZINC000516468000	272887234	/nfs/dbraw/zinc/88/72/34/272887234.db2.gz	MIHMDBLTQSZGII-OCCSQVGLSA-N	2	2	327.385	-0.411	20	5		EBBDLP
O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H]2CCC[N@@H+]2CCCO)c1	ZINC000516468000	272887235	/nfs/dbraw/zinc/88/72/35/272887235.db2.gz	MIHMDBLTQSZGII-OCCSQVGLSA-N	2	2	327.385	-0.411	20	5		EBBDLP
C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1C[N@H+](C)CCN1C	ZINC001353316897	832422073	/nfs/dbraw/zinc/42/20/73/832422073.db2.gz	RHHXCZVLUXIBHG-IACUBPJLSA-N	2	2	326.401	-0.624	20	5		EBBDLP
C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1C[N@@H+](C)CCN1C	ZINC001353316897	832422077	/nfs/dbraw/zinc/42/20/77/832422077.db2.gz	RHHXCZVLUXIBHG-IACUBPJLSA-N	2	2	326.401	-0.624	20	5		EBBDLP
C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+]	ZINC000592477189	377838134	/nfs/dbraw/zinc/83/81/34/377838134.db2.gz	SDOSQEGUCANOJM-SMDDNHRTSA-N	2	2	349.391	-0.186	20	5		EBBDLP
C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+]	ZINC000592477189	377838143	/nfs/dbraw/zinc/83/81/43/377838143.db2.gz	SDOSQEGUCANOJM-SMDDNHRTSA-N	2	2	349.391	-0.186	20	5		EBBDLP
Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CC[NH3+])C[C@H](O)CO	ZINC000595902270	378035884	/nfs/dbraw/zinc/03/58/84/378035884.db2.gz	QJNQHGABXHCFGP-ZDUSSCGKSA-N	2	2	340.380	-0.154	20	5		EBBDLP
Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CC[NH3+])C[C@H](O)CO	ZINC000595902270	378035890	/nfs/dbraw/zinc/03/58/90/378035890.db2.gz	QJNQHGABXHCFGP-ZDUSSCGKSA-N	2	2	340.380	-0.154	20	5		EBBDLP
NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000600756233	379657936	/nfs/dbraw/zinc/65/79/36/379657936.db2.gz	USJDFKLENUDIHL-OLZOCXBDSA-N	2	2	340.384	-0.918	20	5		EBBDLP
NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000600756233	379657953	/nfs/dbraw/zinc/65/79/53/379657953.db2.gz	USJDFKLENUDIHL-OLZOCXBDSA-N	2	2	340.384	-0.918	20	5		EBBDLP
Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1	ZINC000354922151	379710657	/nfs/dbraw/zinc/71/06/57/379710657.db2.gz	QYLSHERTIRWEOJ-UHFFFAOYSA-N	2	2	339.396	-0.013	20	5		EBBDLP
C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC[NH+](CCO)CC1	ZINC000438718147	265259063	/nfs/dbraw/zinc/25/90/63/265259063.db2.gz	WOLTUCLAMSTNJE-AWEZNQCLSA-N	2	2	327.385	-0.459	20	5		EBBDLP
C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC[NH+](CCO)CC1	ZINC000438718147	265259065	/nfs/dbraw/zinc/25/90/65/265259065.db2.gz	WOLTUCLAMSTNJE-AWEZNQCLSA-N	2	2	327.385	-0.459	20	5		EBBDLP
Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)Cc1c[nH+]cn1C	ZINC001171238547	832553817	/nfs/dbraw/zinc/55/38/17/832553817.db2.gz	SJMAPZIFBCFLLQ-UHFFFAOYSA-N	2	2	335.368	-0.100	20	5		EBBDLP
C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1	ZINC000593902069	377920887	/nfs/dbraw/zinc/92/08/87/377920887.db2.gz	NCWSGDPWWUIBLT-CYBMUJFWSA-N	2	2	336.396	-0.083	20	5		EBBDLP
Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CC[NH3+])C[C@@H](O)CO	ZINC000595901772	378034080	/nfs/dbraw/zinc/03/40/80/378034080.db2.gz	ISIAUXMRJQNGFX-CYBMUJFWSA-N	2	2	340.380	-0.154	20	5		EBBDLP
Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CC[NH3+])C[C@@H](O)CO	ZINC000595901772	378034084	/nfs/dbraw/zinc/03/40/84/378034084.db2.gz	ISIAUXMRJQNGFX-CYBMUJFWSA-N	2	2	340.380	-0.154	20	5		EBBDLP
NC(=O)c1ccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c([N+](=O)[O-])c1	ZINC000581321522	381071233	/nfs/dbraw/zinc/07/12/33/381071233.db2.gz	OBTOLYVWOOBWCP-NEPJUHHUSA-N	2	2	333.348	-0.563	20	5		EBBDLP
NC(=O)c1ccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c([N+](=O)[O-])c1	ZINC000581321522	381071239	/nfs/dbraw/zinc/07/12/39/381071239.db2.gz	OBTOLYVWOOBWCP-NEPJUHHUSA-N	2	2	333.348	-0.563	20	5		EBBDLP
O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1	ZINC001118566355	826960478	/nfs/dbraw/zinc/96/04/78/826960478.db2.gz	JNDUBTFJTUOCPQ-CABCVRRESA-N	2	2	339.396	-0.317	20	5		EBBDLP
O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1	ZINC001118566355	826960487	/nfs/dbraw/zinc/96/04/87/826960487.db2.gz	JNDUBTFJTUOCPQ-CABCVRRESA-N	2	2	339.396	-0.317	20	5		EBBDLP
C[NH+](C)/C=C/c1cc(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)ncc1[N+](=O)[O-]	ZINC001162446162	832045278	/nfs/dbraw/zinc/04/52/78/832045278.db2.gz	HDUBCJPZIMNEQX-SXAFYZFGSA-N	2	2	334.384	-0.981	20	5		EBBDLP
C[N@@H+]1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1	ZINC000571796546	378557189	/nfs/dbraw/zinc/55/71/89/378557189.db2.gz	BBLNRSIUWVFOPA-AWEZNQCLSA-N	2	2	349.391	-0.184	20	5		EBBDLP
C[N@H+]1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1	ZINC000571796546	378557200	/nfs/dbraw/zinc/55/72/00/378557200.db2.gz	BBLNRSIUWVFOPA-AWEZNQCLSA-N	2	2	349.391	-0.184	20	5		EBBDLP
Cn1cnc([N+](=O)[O-])c1C[NH2+]C/C=C\CNC(=O)Cn1cc[nH+]c1	ZINC001483100769	1126332907	/nfs/dbraw/zinc/33/29/07/1126332907.db2.gz	NUDHYGASNZLCSN-IHWYPQMZSA-N	2	2	333.352	-0.013	20	5		EBBDLP
O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)c1	ZINC000438726099	265258996	/nfs/dbraw/zinc/25/89/96/265258996.db2.gz	RQBSPKMJGGHDSM-ZDUSSCGKSA-N	2	2	335.368	-0.307	20	5		EBBDLP
Cc1c(NC(=O)CC[N@H+](CC[NH3+])C[C@H](O)CO)cccc1[N+](=O)[O-]	ZINC000595901517	378034301	/nfs/dbraw/zinc/03/43/01/378034301.db2.gz	FDBBFLUDECNYPK-LBPRGKRZSA-N	2	2	340.380	-0.154	20	5		EBBDLP
Cc1c(NC(=O)CC[N@@H+](CC[NH3+])C[C@H](O)CO)cccc1[N+](=O)[O-]	ZINC000595901517	378034305	/nfs/dbraw/zinc/03/43/05/378034305.db2.gz	FDBBFLUDECNYPK-LBPRGKRZSA-N	2	2	340.380	-0.154	20	5		EBBDLP
[NH3+]CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C[C@@H](O)CO	ZINC000852753929	584215661	/nfs/dbraw/zinc/21/56/61/584215661.db2.gz	WDEWRUKHYRKERH-LLVKDONJSA-N	2	2	344.343	-0.324	20	5		EBBDLP
[NH3+]CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C[C@@H](O)CO	ZINC000852753929	584215664	/nfs/dbraw/zinc/21/56/64/584215664.db2.gz	WDEWRUKHYRKERH-LLVKDONJSA-N	2	2	344.343	-0.324	20	5		EBBDLP
C[N@H+](CCCO)C1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000173754948	419106143	/nfs/dbraw/zinc/10/61/43/419106143.db2.gz	HBPDXISASNJSER-OAHLLOKOSA-N	2	2	341.412	-0.069	20	5		EBBDLP
C[N@@H+](CCCO)C1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000173754948	419106146	/nfs/dbraw/zinc/10/61/46/419106146.db2.gz	HBPDXISASNJSER-OAHLLOKOSA-N	2	2	341.412	-0.069	20	5		EBBDLP
C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cn3cnc([N+](=O)[O-])n3)C2)CC1	ZINC001322765121	839255476	/nfs/dbraw/zinc/25/54/76/839255476.db2.gz	AJVJYOWTYWKRAF-LLVKDONJSA-N	2	2	337.384	-0.529	20	5		EBBDLP
C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cn3cnc([N+](=O)[O-])n3)C2)CC1	ZINC001322765121	839255489	/nfs/dbraw/zinc/25/54/89/839255489.db2.gz	AJVJYOWTYWKRAF-LLVKDONJSA-N	2	2	337.384	-0.529	20	5		EBBDLP
C[C@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[NH+]1CCOCC1	ZINC000591743618	377754608	/nfs/dbraw/zinc/75/46/08/377754608.db2.gz	PVOBOSRBYSBBDK-OCCSQVGLSA-N	2	2	327.385	-0.290	20	5		EBBDLP
O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1	ZINC000173803238	154104744	/nfs/dbraw/zinc/10/47/44/154104744.db2.gz	LDIYITGURVULKG-HIFRSBDPSA-N	2	2	339.396	-0.194	20	5		EBBDLP
O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1	ZINC000173803238	154104752	/nfs/dbraw/zinc/10/47/52/154104752.db2.gz	LDIYITGURVULKG-HIFRSBDPSA-N	2	2	339.396	-0.194	20	5		EBBDLP
CC(C)[NH2+]C1(CO)CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000584728775	381205142	/nfs/dbraw/zinc/20/51/42/381205142.db2.gz	WBPQFVXXEXIMJF-CQSZACIVSA-N	2	2	341.412	-0.023	20	5		EBBDLP
C[N@H+](CCCO)C1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000173754932	420952875	/nfs/dbraw/zinc/95/28/75/420952875.db2.gz	HBPDXISASNJSER-HNNXBMFYSA-N	2	2	341.412	-0.069	20	5		EBBDLP
C[N@@H+](CCCO)C1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000173754932	420952880	/nfs/dbraw/zinc/95/28/80/420952880.db2.gz	HBPDXISASNJSER-HNNXBMFYSA-N	2	2	341.412	-0.069	20	5		EBBDLP
[NH3+]CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H](O)CO	ZINC000595903659	378036113	/nfs/dbraw/zinc/03/61/13/378036113.db2.gz	ZKVHYPHCPTUBOC-LLVKDONJSA-N	2	2	326.353	-0.463	20	5		EBBDLP
[NH3+]CC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H](O)CO	ZINC000595903659	378036116	/nfs/dbraw/zinc/03/61/16/378036116.db2.gz	ZKVHYPHCPTUBOC-LLVKDONJSA-N	2	2	326.353	-0.463	20	5		EBBDLP
O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)c1	ZINC000573967428	379170859	/nfs/dbraw/zinc/17/08/59/379170859.db2.gz	WWCQEGWALROPNY-GXTWGEPZSA-N	2	2	327.385	-0.411	20	5		EBBDLP
O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)c1	ZINC000573967428	379170868	/nfs/dbraw/zinc/17/08/68/379170868.db2.gz	WWCQEGWALROPNY-GXTWGEPZSA-N	2	2	327.385	-0.411	20	5		EBBDLP
Cn1cc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)c([N+](=O)[O-])n1	ZINC000602796925	379679989	/nfs/dbraw/zinc/67/99/89/379679989.db2.gz	GMCXTTJAZAECBB-UHFFFAOYSA-N	2	2	339.396	-0.013	20	5		EBBDLP
C[NH+](C)CC(=O)N1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1	ZINC000090517100	379807921	/nfs/dbraw/zinc/80/79/21/379807921.db2.gz	JDTWQXJOCJIRGZ-UHFFFAOYSA-N	2	2	337.380	-0.538	20	5		EBBDLP
C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCn2cc([N+](=O)[O-])cn2)C[C@@H](C)O1	ZINC000516965831	419091328	/nfs/dbraw/zinc/09/13/28/419091328.db2.gz	NUYDAOHYSXILPZ-YRGRVCCFSA-N	2	2	327.385	-0.149	20	5		EBBDLP
COC(=O)[C@@H]1C[N@H+](C)CCN1c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1	ZINC001157781340	831593051	/nfs/dbraw/zinc/59/30/51/831593051.db2.gz	SECRABBAOJZUQU-NSHDSACASA-N	2	2	336.352	-0.635	20	5		EBBDLP
COC(=O)[C@@H]1C[N@@H+](C)CCN1c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1	ZINC001157781340	831593053	/nfs/dbraw/zinc/59/30/53/831593053.db2.gz	SECRABBAOJZUQU-NSHDSACASA-N	2	2	336.352	-0.635	20	5		EBBDLP
C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1C[N@H+](C)CCN1C	ZINC001353316896	832421967	/nfs/dbraw/zinc/42/19/67/832421967.db2.gz	RHHXCZVLUXIBHG-FPMFFAJLSA-N	2	2	326.401	-0.624	20	5		EBBDLP
C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1C[N@@H+](C)CCN1C	ZINC001353316896	832421971	/nfs/dbraw/zinc/42/19/71/832421971.db2.gz	RHHXCZVLUXIBHG-FPMFFAJLSA-N	2	2	326.401	-0.624	20	5		EBBDLP
Cc1cc(C(=O)NCC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])ccc1[N+](=O)[O-]	ZINC000570716386	378513788	/nfs/dbraw/zinc/51/37/88/378513788.db2.gz	IOABPXQEGIXJDP-CYBMUJFWSA-N	2	2	349.391	-0.266	20	5		EBBDLP
Cc1cc(C(=O)NCC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])ccc1[N+](=O)[O-]	ZINC000570716386	378513793	/nfs/dbraw/zinc/51/37/93/378513793.db2.gz	IOABPXQEGIXJDP-CYBMUJFWSA-N	2	2	349.391	-0.266	20	5		EBBDLP
Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1	ZINC001021126145	729284985	/nfs/dbraw/zinc/28/49/85/729284985.db2.gz	GRKUTGLAHKWVRO-XYPYZODXSA-N	2	2	333.352	-0.038	20	5		EBBDLP
[NH3+]CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@@H](O)CO	ZINC000595901150	378034393	/nfs/dbraw/zinc/03/43/93/378034393.db2.gz	BPAGTTDPCVGKKS-CYBMUJFWSA-N	2	2	326.353	-0.463	20	5		EBBDLP
[NH3+]CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@@H](O)CO	ZINC000595901150	378034397	/nfs/dbraw/zinc/03/43/97/378034397.db2.gz	BPAGTTDPCVGKKS-CYBMUJFWSA-N	2	2	326.353	-0.463	20	5		EBBDLP
C[NH+](C)CCC[N@H+](C)CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O	ZINC000597990559	378146059	/nfs/dbraw/zinc/14/60/59/378146059.db2.gz	YRRYPACYZHZHRB-UHFFFAOYSA-N	2	2	339.396	-0.244	20	5		EBBDLP
C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O	ZINC000597990559	378146064	/nfs/dbraw/zinc/14/60/64/378146064.db2.gz	YRRYPACYZHZHRB-UHFFFAOYSA-N	2	2	339.396	-0.244	20	5		EBBDLP
O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC([NH+]3CCOCC3)CC2)c1	ZINC000599473997	378248337	/nfs/dbraw/zinc/24/83/37/378248337.db2.gz	DPIYWVYKSDIKIR-OAHLLOKOSA-N	2	2	339.396	-0.051	20	5		EBBDLP
O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1	ZINC000173803223	154104896	/nfs/dbraw/zinc/10/48/96/154104896.db2.gz	LDIYITGURVULKG-UKRRQHHQSA-N	2	2	339.396	-0.194	20	5		EBBDLP
O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1	ZINC000173803223	154104899	/nfs/dbraw/zinc/10/48/99/154104899.db2.gz	LDIYITGURVULKG-UKRRQHHQSA-N	2	2	339.396	-0.194	20	5		EBBDLP
O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1	ZINC000247493969	154185860	/nfs/dbraw/zinc/18/58/60/154185860.db2.gz	LDIYITGURVULKG-DZGCQCFKSA-N	2	2	339.396	-0.194	20	5		EBBDLP
O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1	ZINC000247493969	154185864	/nfs/dbraw/zinc/18/58/64/154185864.db2.gz	LDIYITGURVULKG-DZGCQCFKSA-N	2	2	339.396	-0.194	20	5		EBBDLP
Cn1cc[nH+]c1N1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000266965572	154360392	/nfs/dbraw/zinc/36/03/92/154360392.db2.gz	XXXIZHVEZXBTRU-CYBMUJFWSA-N	2	2	335.368	-0.292	20	5		EBBDLP
C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCn2cc([N+](=O)[O-])cn2)C[C@@H](C)O1	ZINC000516965828	272889216	/nfs/dbraw/zinc/88/92/16/272889216.db2.gz	NUYDAOHYSXILPZ-BZPMIXESSA-N	2	2	327.385	-0.149	20	5		EBBDLP
Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CC[NH3+])C[C@@H](O)CO	ZINC000595902269	378035564	/nfs/dbraw/zinc/03/55/64/378035564.db2.gz	QJNQHGABXHCFGP-CYBMUJFWSA-N	2	2	340.380	-0.154	20	5		EBBDLP
Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CC[NH3+])C[C@@H](O)CO	ZINC000595902269	378035570	/nfs/dbraw/zinc/03/55/70/378035570.db2.gz	QJNQHGABXHCFGP-CYBMUJFWSA-N	2	2	340.380	-0.154	20	5		EBBDLP
O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H]2CCCC[N@H+]2CCO)c1	ZINC000573967433	379172219	/nfs/dbraw/zinc/17/22/19/379172219.db2.gz	WWCQEGWALROPNY-OCCSQVGLSA-N	2	2	327.385	-0.411	20	5		EBBDLP
O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)c1	ZINC000573967433	379172227	/nfs/dbraw/zinc/17/22/27/379172227.db2.gz	WWCQEGWALROPNY-OCCSQVGLSA-N	2	2	327.385	-0.411	20	5		EBBDLP
C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCn2cc([N+](=O)[O-])cn2)C[C@H](C)O1	ZINC000516965830	419090051	/nfs/dbraw/zinc/09/00/51/419090051.db2.gz	NUYDAOHYSXILPZ-SCRDCRAPSA-N	2	2	327.385	-0.149	20	5		EBBDLP
C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCn2cc([N+](=O)[O-])cn2)C[C@H](C)O1	ZINC000516965830	419090055	/nfs/dbraw/zinc/09/00/55/419090055.db2.gz	NUYDAOHYSXILPZ-SCRDCRAPSA-N	2	2	327.385	-0.149	20	5		EBBDLP
O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1	ZINC001118566358	826960802	/nfs/dbraw/zinc/96/08/02/826960802.db2.gz	JNDUBTFJTUOCPQ-LSDHHAIUSA-N	2	2	339.396	-0.317	20	5		EBBDLP
O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)c1	ZINC001118566358	826960803	/nfs/dbraw/zinc/96/08/03/826960803.db2.gz	JNDUBTFJTUOCPQ-LSDHHAIUSA-N	2	2	339.396	-0.317	20	5		EBBDLP
C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(=O)N1CC[NH+](C)CC1	ZINC000602989406	379682497	/nfs/dbraw/zinc/68/24/97/379682497.db2.gz	OBJHWNQHIPZVET-UHFFFAOYSA-N	2	2	337.380	-0.538	20	5		EBBDLP
C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(=O)N1CC[NH+](C)CC1	ZINC000602989406	379682509	/nfs/dbraw/zinc/68/25/09/379682509.db2.gz	OBJHWNQHIPZVET-UHFFFAOYSA-N	2	2	337.380	-0.538	20	5		EBBDLP
COCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000582176239	381504535	/nfs/dbraw/zinc/50/45/35/381504535.db2.gz	JKVNVXSJKKUJMD-JSGCOSHPSA-N	2	2	327.385	-0.147	20	5		EBBDLP
COCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000582176239	381504542	/nfs/dbraw/zinc/50/45/42/381504542.db2.gz	JKVNVXSJKKUJMD-JSGCOSHPSA-N	2	2	327.385	-0.147	20	5		EBBDLP
[NH3+]C[C@]1(Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C[NH+]2CCC1CC2	ZINC001160518011	831859999	/nfs/dbraw/zinc/85/99/99/831859999.db2.gz	UDWOVRVZDPJRAC-HNNXBMFYSA-N	3	2	333.396	-0.093	20	5		EBBDLP