smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1ccn(C2CCN(CCCO[C@H]3CCCCO3)CC2)n1	ZINC000225773260	242029078	/nfs/dbraw/zinc/02/90/78/242029078.db2.gz	POAGPTKIDVYZMR-INIZCTEOSA-N	0	3	338.408	2.362	40	5		EEBBHN
O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@@H](O)c3ccccc3)C2)nc1	ZINC000195531739	464073644	/nfs/dbraw/zinc/07/36/44/464073644.db2.gz	QVCPVRBCIUJWAL-GDBMZVCRSA-N	0	3	328.372	2.210	40	5		EEBBHN
O=C1c2cccc3cc([N+](=O)[O-])cc(c32)C(=O)N1CCN1CCCC1	ZINC000004217305	462628682	/nfs/dbraw/zinc/62/86/82/462628682.db2.gz	GBOQUHPYCRYKGV-UHFFFAOYSA-N	0	3	339.351	2.440	40	5	in-man	EEBBHN
C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000096441442	463267033	/nfs/dbraw/zinc/26/70/33/463267033.db2.gz	ULWPEEADTYOXOE-IFIJOSMWSA-N	0	3	348.378	2.169	40	5		EEBBHN
C[C@H]1CCCN(CCNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1	ZINC000058008410	463534688	/nfs/dbraw/zinc/53/46/88/463534688.db2.gz	LZOQQDDDZKYOIM-AWEZNQCLSA-N	0	3	344.415	2.398	40	5		EEBBHN
C[C@H]1C[C@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)CN1C1CC1	ZINC000096485366	463283731	/nfs/dbraw/zinc/28/37/31/463283731.db2.gz	FSFFLIYVPKEYQK-JSGCOSHPSA-N	0	3	332.404	2.062	40	5		EEBBHN
C[C@H]1C[C@@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)CN1C1CC1	ZINC000096485368	463283971	/nfs/dbraw/zinc/28/39/71/463283971.db2.gz	FSFFLIYVPKEYQK-GXTWGEPZSA-N	0	3	332.404	2.062	40	5		EEBBHN
CCOc1cc(C=Cc2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OC	ZINC000409344591	466686839	/nfs/dbraw/zinc/68/68/39/466686839.db2.gz	HGXXIRBUXYFWQF-ALCCZGGFSA-N	0	3	333.300	2.374	40	5		EEBBHN
N[C@@H](c1nc(COc2cccc([N+](=O)[O-])c2)n[nH]1)c1ccccc1	ZINC000095533457	463106796	/nfs/dbraw/zinc/10/67/96/463106796.db2.gz	NALBAOGRXWKQFN-OAHLLOKOSA-N	0	3	325.328	2.340	40	5		EEBBHN
COc1ccc([C@@H](N)c2nc(Cc3ccc([N+](=O)[O-])cc3)n[nH]2)cc1	ZINC000095533725	463107633	/nfs/dbraw/zinc/10/76/33/463107633.db2.gz	VDTWBXVSDBAFEH-MRXNPFEDSA-N	0	3	339.355	2.360	40	5		EEBBHN
COc1ccc([C@@H](N)c2n[nH]c(Cc3ccc([N+](=O)[O-])cc3)n2)cc1	ZINC000095533725	463107636	/nfs/dbraw/zinc/10/76/36/463107636.db2.gz	VDTWBXVSDBAFEH-MRXNPFEDSA-N	0	3	339.355	2.360	40	5		EEBBHN
COc1ccc([C@@H](N)c2nnc(Cc3ccc([N+](=O)[O-])cc3)[nH]2)cc1	ZINC000095533725	463107643	/nfs/dbraw/zinc/10/76/43/463107643.db2.gz	VDTWBXVSDBAFEH-MRXNPFEDSA-N	0	3	339.355	2.360	40	5		EEBBHN
O=[N+]([O-])c1ccn(C2CCN(CCCO[C@@H]3CCCCO3)CC2)n1	ZINC000225773240	242029199	/nfs/dbraw/zinc/02/91/99/242029199.db2.gz	POAGPTKIDVYZMR-MRXNPFEDSA-N	0	3	338.408	2.362	40	5		EEBBHN
O=C(Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1)c1ccccc1F	ZINC000020154221	463026167	/nfs/dbraw/zinc/02/61/67/463026167.db2.gz	JFOIULSOIHAXGY-UHFFFAOYSA-N	0	3	344.346	2.396	40	5		EEBBHN
C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000195531478	464072387	/nfs/dbraw/zinc/07/23/87/464072387.db2.gz	ULWPEEADTYOXOE-HACGYAERSA-N	0	3	348.378	2.169	40	5		EEBBHN
CN(C)CCNc1nc(Cl)nc(Nc2cccc([N+](=O)[O-])c2)n1	ZINC000199799222	257844337	/nfs/dbraw/zinc/84/43/37/257844337.db2.gz	YPNKLNXAIVTGSU-UHFFFAOYSA-N	0	3	337.771	2.150	40	5		EEBBHN
O=[N+]([O-])c1ccc(N[C@H]2CCN(C[C@@H](O)c3ccccc3)C2)nc1	ZINC000096443419	463268312	/nfs/dbraw/zinc/26/83/12/463268312.db2.gz	QVCPVRBCIUJWAL-GOEBONIOSA-N	0	3	328.372	2.210	40	5		EEBBHN
C[C@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C)C1	ZINC000063749542	462669244	/nfs/dbraw/zinc/66/92/44/462669244.db2.gz	UEHVLSZLDABFDD-ZIAGYGMSSA-N	0	3	335.404	2.210	40	5		EEBBHN
N[C@@H](c1n[nH]c(Cc2ccc([N+](=O)[O-])cc2)n1)c1ccc(F)cc1	ZINC000095533316	463106694	/nfs/dbraw/zinc/10/66/94/463106694.db2.gz	GARURNDAUFPKEL-OAHLLOKOSA-N	0	3	327.319	2.491	40	5		EEBBHN
N[C@@H](c1nnc(Cc2ccc([N+](=O)[O-])cc2)[nH]1)c1ccc(F)cc1	ZINC000095533316	463106698	/nfs/dbraw/zinc/10/66/98/463106698.db2.gz	GARURNDAUFPKEL-OAHLLOKOSA-N	0	3	327.319	2.491	40	5		EEBBHN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCN1CCCCC1	ZINC000010279971	211160107	/nfs/dbraw/zinc/16/01/07/211160107.db2.gz	STINEUQJCZCRID-UHFFFAOYSA-N	0	3	341.433	2.058	40	5		EEBBHN
C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000195531477	464072178	/nfs/dbraw/zinc/07/21/78/464072178.db2.gz	ULWPEEADTYOXOE-SUYBPPKGSA-N	0	3	348.378	2.169	40	5		EEBBHN
Cc1nc2ccc(NCCN(C)C)c3c2n1c1ccc(O)cc1c3=O	ZINC000005116458	462646084	/nfs/dbraw/zinc/64/60/84/462646084.db2.gz	RWGHRNQPAMSGPF-UHFFFAOYSA-N	0	3	336.395	2.426	40	5	in-vivo	EEBBHN
N=C(Nc1ccc([N+](=O)[O-])cn1)N1CCN(c2ccc(F)cc2)CC1	ZINC000225238798	464154359	/nfs/dbraw/zinc/15/43/59/464154359.db2.gz	VDNOZFJXGOBJEW-UHFFFAOYSA-N	0	3	344.350	2.298	40	5		EEBBHN
C[C@H]1CN(Cc2ccccc2)CCCN1c1c([N+](=O)[O-])ncn1C	ZINC000077236644	462957934	/nfs/dbraw/zinc/95/79/34/462957934.db2.gz	ULMYBOVGMSPKTO-AWEZNQCLSA-N	0	3	329.404	2.429	40	5		EEBBHN
Cc1ccc(S(=O)(=O)NN[C@@H](c2ccccc2)C(C)[N+](=O)[O-])cc1	ZINC000001715503	462586370	/nfs/dbraw/zinc/58/63/70/462586370.db2.gz	MAYREBQJXUNLBK-XJKSGUPXSA-N	0	3	349.412	2.184	40	5		EEBBHN
CN(C)CCNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1	ZINC000096499974	463289993	/nfs/dbraw/zinc/28/99/93/463289993.db2.gz	ROKMRYKFZBGPPH-UHFFFAOYSA-N	0	3	331.170	2.040	40	5		EEBBHN
Cc1ccc(S(=O)(=O)NN[C@H](c2ccccc2)C(C)[N+](=O)[O-])cc1	ZINC000001715504	462586060	/nfs/dbraw/zinc/58/60/60/462586060.db2.gz	MAYREBQJXUNLBK-BBRMVZONSA-N	0	3	349.412	2.184	40	5		EEBBHN
Cc1ccc(S(=O)(=O)NN[C@H](c2ccccc2)C(C)[N+](=O)[O-])cc1	ZINC000001715502	462586986	/nfs/dbraw/zinc/58/69/86/462586986.db2.gz	MAYREBQJXUNLBK-CJNGLKHVSA-N	0	3	349.412	2.184	40	5		EEBBHN
O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)NCc2cc(Cl)cs2)cc1	ZINC000193107737	465027031	/nfs/dbraw/zinc/02/70/31/465027031.db2.gz	YRKXCHDDDAOYFF-KBPBESRZSA-N	0	3	342.804	2.494	40	5		EEBBHN
O=[N+]([O-])c1cccc(S(=O)(=O)NCCCN2CCCCCC2)c1	ZINC000010111255	211148570	/nfs/dbraw/zinc/14/85/70/211148570.db2.gz	PEBDSHLWULDRGN-UHFFFAOYSA-N	0	3	341.433	2.139	40	5		EEBBHN
Cc1cnc(N(C)C2CCN(CCn3cccn3)CC2)c([N+](=O)[O-])c1	ZINC000242140837	243009276	/nfs/dbraw/zinc/00/92/76/243009276.db2.gz	WPQPAORTCPOPBB-UHFFFAOYSA-N	0	3	344.419	2.096	40	5		EEBBHN
C[C@@H]1C[C@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)CN1C1CC1	ZINC000096485365	463283821	/nfs/dbraw/zinc/28/38/21/463283821.db2.gz	FSFFLIYVPKEYQK-OCCSQVGLSA-N	0	3	332.404	2.062	40	5		EEBBHN
C[C@@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)N1CCC[C@H](C)C1	ZINC000058158690	463545483	/nfs/dbraw/zinc/54/54/83/463545483.db2.gz	UEHVLSZLDABFDD-KBPBESRZSA-N	0	3	335.404	2.210	40	5		EEBBHN
COc1cccc([C@@H](N)c2n[nH]c(Cc3ccc([N+](=O)[O-])cc3)n2)c1	ZINC000095533583	463107238	/nfs/dbraw/zinc/10/72/38/463107238.db2.gz	CWJKFZLCCZZEKL-MRXNPFEDSA-N	0	3	339.355	2.360	40	5		EEBBHN
COc1cccc([C@@H](N)c2nnc(Cc3ccc([N+](=O)[O-])cc3)[nH]2)c1	ZINC000095533583	463107243	/nfs/dbraw/zinc/10/72/43/463107243.db2.gz	CWJKFZLCCZZEKL-MRXNPFEDSA-N	0	3	339.355	2.360	40	5		EEBBHN
O=C(Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1)c1cccs1	ZINC000020154202	463025588	/nfs/dbraw/zinc/02/55/88/463025588.db2.gz	KAYFUJFZTGUIHO-UHFFFAOYSA-N	0	3	332.385	2.318	40	5		EEBBHN
N[C@H](c1n[nH]c(Cc2ccc([N+](=O)[O-])cc2)n1)c1ccc(F)cc1	ZINC000095533317	463107726	/nfs/dbraw/zinc/10/77/26/463107726.db2.gz	GARURNDAUFPKEL-HNNXBMFYSA-N	0	3	327.319	2.491	40	5		EEBBHN
N[C@H](c1nnc(Cc2ccc([N+](=O)[O-])cc2)[nH]1)c1ccc(F)cc1	ZINC000095533317	463107731	/nfs/dbraw/zinc/10/77/31/463107731.db2.gz	GARURNDAUFPKEL-HNNXBMFYSA-N	0	3	327.319	2.491	40	5		EEBBHN
COc1cccc([C@H](N)c2n[nH]c(Cc3ccc([N+](=O)[O-])cc3)n2)c1	ZINC000095533582	463106365	/nfs/dbraw/zinc/10/63/65/463106365.db2.gz	CWJKFZLCCZZEKL-INIZCTEOSA-N	0	3	339.355	2.360	40	5		EEBBHN
COc1cccc([C@H](N)c2nnc(Cc3ccc([N+](=O)[O-])cc3)[nH]2)c1	ZINC000095533582	463106371	/nfs/dbraw/zinc/10/63/71/463106371.db2.gz	CWJKFZLCCZZEKL-INIZCTEOSA-N	0	3	339.355	2.360	40	5		EEBBHN
O=[N+]([O-])c1ccc([C@@H](O)[C@H](CO)NCc2cc(Cl)cs2)cc1	ZINC000193107750	465027056	/nfs/dbraw/zinc/02/70/56/465027056.db2.gz	YRKXCHDDDAOYFF-UONOGXRCSA-N	0	3	342.804	2.494	40	5		EEBBHN
N=C(Nc1ncccc1[N+](=O)[O-])N1CCN(Cc2ccccc2)CC1	ZINC000225244349	464155988	/nfs/dbraw/zinc/15/59/88/464155988.db2.gz	WDOSBZPBVWXELW-UHFFFAOYSA-N	0	3	340.387	2.154	40	5		EEBBHN
N[C@H](c1nc(COc2ccc([N+](=O)[O-])cc2)n[nH]1)c1ccccc1	ZINC000095533434	463107313	/nfs/dbraw/zinc/10/73/13/463107313.db2.gz	OIELFWNPVZZVEG-HNNXBMFYSA-N	0	3	325.328	2.340	40	5		EEBBHN
N=C(Nc1ccc([N+](=O)[O-])cn1)N1CCN(c2ccccc2F)CC1	ZINC000225239536	464154191	/nfs/dbraw/zinc/15/41/91/464154191.db2.gz	HDSCVRSCOFJMMH-UHFFFAOYSA-N	0	3	344.350	2.298	40	5		EEBBHN
N=C(Nc1ccc([N+](=O)[O-])cn1)N1CCN(c2ccccc2)CC1	ZINC000225238625	464154638	/nfs/dbraw/zinc/15/46/38/464154638.db2.gz	YFGLORWLJWPVMR-UHFFFAOYSA-N	0	3	326.360	2.159	40	5		EEBBHN
Cc1ccc(S(=O)(=O)NN[C@@H](c2ccccc2)C(C)[N+](=O)[O-])cc1	ZINC000001715501	462586698	/nfs/dbraw/zinc/58/66/98/462586698.db2.gz	MAYREBQJXUNLBK-CZUORRHYSA-N	0	3	349.412	2.184	40	5		EEBBHN
Cc1ccc(NCC[NH2+]CCO)c2c(=O)c3cc([O-])ccc3sc12	ZINC000005392838	462657558	/nfs/dbraw/zinc/65/75/58/462657558.db2.gz	AQHRVZGMXJGTGP-UHFFFAOYSA-N	0	3	344.436	2.423	40	5		EEBBHN
CCN1CCN(C[C@H](C)CNc2ccc([N+](=O)[O-])cc2C(C)=O)CC1	ZINC000225817811	535718472	/nfs/dbraw/zinc/71/84/72/535718472.db2.gz	BIEZIHGXOJYDOB-CQSZACIVSA-N	0	3	348.447	2.483	40	5		EEBBHN
O=[N+]([O-])c1cnn(CCNC2(c3ccc(F)cc3)CCOCC2)c1	ZINC000096445717	463271192	/nfs/dbraw/zinc/27/11/92/463271192.db2.gz	NKUVINBKJJGSBZ-UHFFFAOYSA-N	0	3	334.351	2.226	40	5		EEBBHN
Cc1cc(N(C)C2CCN(CCn3cccn3)CC2)ncc1[N+](=O)[O-]	ZINC000241911202	243004760	/nfs/dbraw/zinc/00/47/60/243004760.db2.gz	UAMXMDNJOUBCPG-UHFFFAOYSA-N	0	3	344.419	2.096	40	5		EEBBHN
O=c1cccc2n1C[C@@H]1C[C@H]2CN(Cc2cccc([N+](=O)[O-])c2)C1	ZINC000019732669	212057889	/nfs/dbraw/zinc/05/78/89/212057889.db2.gz	RYTJWZVFNQIWKR-CABCVRRESA-N	0	3	325.368	2.376	40	5		EEBBHN
O=[N+]([O-])c1ccc(S(=O)(=O)NCCCN2CCCCCC2)cc1	ZINC000010111256	211148464	/nfs/dbraw/zinc/14/84/64/211148464.db2.gz	CWFJEDIRECSYEH-UHFFFAOYSA-N	0	3	341.433	2.139	40	5		EEBBHN
Cc1ccc(S(=O)(=O)NCCCN2CCCCC2)cc1[N+](=O)[O-]	ZINC000007709775	462746981	/nfs/dbraw/zinc/74/69/81/462746981.db2.gz	HESXDXCJAQLJOM-UHFFFAOYSA-N	0	3	341.433	2.058	40	5		EEBBHN
O=C(Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1)c1ccc(F)cc1	ZINC000020154238	463025374	/nfs/dbraw/zinc/02/53/74/463025374.db2.gz	CHMRUUQGPFPTTH-UHFFFAOYSA-N	0	3	344.346	2.396	40	5		EEBBHN
CC(C)(C)[C@H](N)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1	ZINC000160917217	463381545	/nfs/dbraw/zinc/38/15/45/463381545.db2.gz	ZILYBZUNPZEOGZ-OAHLLOKOSA-N	0	3	335.404	2.338	40	5		EEBBHN
O=[N+]([O-])c1ccc(N[C@H]2CCN(C[C@H](O)c3ccccc3)C2)nc1	ZINC000096443420	463268002	/nfs/dbraw/zinc/26/80/02/463268002.db2.gz	QVCPVRBCIUJWAL-HOCLYGCPSA-N	0	3	328.372	2.210	40	5		EEBBHN
O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)NCc2cc(Cl)cs2)cc1	ZINC000193107722	465027012	/nfs/dbraw/zinc/02/70/12/465027012.db2.gz	YRKXCHDDDAOYFF-ZIAGYGMSSA-N	0	3	342.804	2.494	40	5		EEBBHN
C[C@@H]1CN(Cc2ccccc2)CCCN1c1c([N+](=O)[O-])ncn1C	ZINC000077236643	462957689	/nfs/dbraw/zinc/95/76/89/462957689.db2.gz	ULMYBOVGMSPKTO-CQSZACIVSA-N	0	3	329.404	2.429	40	5		EEBBHN
Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(C2CCCC2)CC1	ZINC000191730835	464825545	/nfs/dbraw/zinc/82/55/45/464825545.db2.gz	MZSYLYBVJJRCMY-UHFFFAOYSA-N	0	3	332.404	2.268	40	5		EEBBHN
N[C@@H](c1nc(COc2ccc([N+](=O)[O-])cc2)n[nH]1)c1ccccc1	ZINC000095533435	463106278	/nfs/dbraw/zinc/10/62/78/463106278.db2.gz	OIELFWNPVZZVEG-OAHLLOKOSA-N	0	3	325.328	2.340	40	5		EEBBHN
O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)NCc2cc(Cl)cs2)cc1	ZINC000193107709	465027119	/nfs/dbraw/zinc/02/71/19/465027119.db2.gz	YRKXCHDDDAOYFF-KGLIPLIRSA-N	0	3	342.804	2.494	40	5		EEBBHN
CCN1CCN(C[C@@H](C)CNc2ccc([N+](=O)[O-])cc2C(C)=O)CC1	ZINC000225817827	535707146	/nfs/dbraw/zinc/70/71/46/535707146.db2.gz	BIEZIHGXOJYDOB-AWEZNQCLSA-N	0	3	348.447	2.483	40	5		EEBBHN
O=C(Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1)c1ccccc1	ZINC000020154212	463025312	/nfs/dbraw/zinc/02/53/12/463025312.db2.gz	BQURRDAQGYWFGD-UHFFFAOYSA-N	0	3	326.356	2.257	40	5		EEBBHN
O=c1cccc2n1C[C@H]1C[C@@H]2CN(Cc2ccc([N+](=O)[O-])cc2)C1	ZINC000033295955	463420379	/nfs/dbraw/zinc/42/03/79/463420379.db2.gz	GQXGWBNRGPDMNO-LSDHHAIUSA-N	0	3	325.368	2.376	40	5		EEBBHN
N=C(Nc1ccc([N+](=O)[O-])cn1)N1CCN(Cc2ccccc2)CC1	ZINC000225237474	464154402	/nfs/dbraw/zinc/15/44/02/464154402.db2.gz	ZUQJMDZGHHZHNV-UHFFFAOYSA-N	0	3	340.387	2.154	40	5		EEBBHN
C[C@@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C)C1	ZINC000058158687	463545510	/nfs/dbraw/zinc/54/55/10/463545510.db2.gz	UEHVLSZLDABFDD-KGLIPLIRSA-N	0	3	335.404	2.210	40	5		EEBBHN
COc1ccc([C@H](N)c2nc(Cc3ccc([N+](=O)[O-])cc3)n[nH]2)cc1	ZINC000095533724	463106440	/nfs/dbraw/zinc/10/64/40/463106440.db2.gz	VDTWBXVSDBAFEH-INIZCTEOSA-N	0	3	339.355	2.360	40	5		EEBBHN
COc1ccc([C@H](N)c2n[nH]c(Cc3ccc([N+](=O)[O-])cc3)n2)cc1	ZINC000095533724	463106446	/nfs/dbraw/zinc/10/64/46/463106446.db2.gz	VDTWBXVSDBAFEH-INIZCTEOSA-N	0	3	339.355	2.360	40	5		EEBBHN
COc1ccc([C@H](N)c2nnc(Cc3ccc([N+](=O)[O-])cc3)[nH]2)cc1	ZINC000095533724	463106451	/nfs/dbraw/zinc/10/64/51/463106451.db2.gz	VDTWBXVSDBAFEH-INIZCTEOSA-N	0	3	339.355	2.360	40	5		EEBBHN
C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000096441444	463266993	/nfs/dbraw/zinc/26/69/93/463266993.db2.gz	ULWPEEADTYOXOE-MRRJBJDNSA-N	0	3	348.378	2.169	40	5		EEBBHN
C[C@@H]1C[C@@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)CN1C1CC1	ZINC000096485367	463283868	/nfs/dbraw/zinc/28/38/68/463283868.db2.gz	FSFFLIYVPKEYQK-TZMCWYRMSA-N	0	3	332.404	2.062	40	5		EEBBHN
N[C@H](c1nc(COc2cccc([N+](=O)[O-])c2)n[nH]1)c1ccccc1	ZINC000095533456	463107588	/nfs/dbraw/zinc/10/75/88/463107588.db2.gz	NALBAOGRXWKQFN-HNNXBMFYSA-N	0	3	325.328	2.340	40	5		EEBBHN
O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@H](O)c3ccccc3)C2)nc1	ZINC000245339146	464470974	/nfs/dbraw/zinc/47/09/74/464470974.db2.gz	QVCPVRBCIUJWAL-ZBFHGGJFSA-N	0	3	328.372	2.210	40	5		EEBBHN
C[C@@H]1CCCN(CCNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1	ZINC000058008406	463535477	/nfs/dbraw/zinc/53/54/77/463535477.db2.gz	LZOQQDDDZKYOIM-CQSZACIVSA-N	0	3	344.415	2.398	40	5		EEBBHN
O=C(/C=C/c1ccco1)Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1	ZINC000020154371	463025902	/nfs/dbraw/zinc/02/59/02/463025902.db2.gz	ASSRAPGHXCTEQR-GQCTYLIASA-N	0	3	342.355	2.249	40	5		EEBBHN