smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@H+](C)C1	ZINC000042548262	178272783	/nfs/dbraw/zinc/27/27/83/178272783.db2.gz	NAEQPCFQXHCNHD-JTQLQIEISA-N	1	1	235.287	2.019	10	5		BEBEMO
O=[N+]([O-])c1cccc([C@@H]2CN3CCSC3=[NH+]2)c1	ZINC000000000547	188271724	/nfs/dbraw/zinc/27/17/24/188271724.db2.gz	RFAYUIIWPKWNKY-JTQLQIEISA-N	1	1	249.295	2.054	10	5	in-man	BEBEMO
CC[N@H+]1CCC[C@H](Nc2ccccc2[N+](=O)[O-])C1	ZINC000041066811	374104930	/nfs/dbraw/zinc/10/49/30/374104930.db2.gz	JAHIZHQCWWWIRH-NSHDSACASA-N	1	1	249.314	2.491	10	5		BEBEMO
CC[C@H](C)[N@@H+](C)Cc1ccc(N)c([N+](=O)[O-])c1	ZINC000050813005	171307441	/nfs/dbraw/zinc/30/74/41/171307441.db2.gz	AKCUHOFQJJMCHO-VIFPVBQESA-N	1	1	237.303	2.407	10	5		BEBEMO
Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@H+](C)C1	ZINC000042548259	178272341	/nfs/dbraw/zinc/27/23/41/178272341.db2.gz	NAEQPCFQXHCNHD-SNVBAGLBSA-N	1	1	235.287	2.019	10	5		BEBEMO
C[N@H+]1CCC[C@H]1CCNc1ccc([N+](=O)[O-])cc1	ZINC000143783954	374250069	/nfs/dbraw/zinc/25/00/69/374250069.db2.gz	NHLRAHZAVGJEGC-LBPRGKRZSA-N	1	1	249.314	2.491	10	5		BEBEMO
CC[N@@H+](C)CCNc1cc(F)ccc1[N+](=O)[O-]	ZINC000054127832	387347083	/nfs/dbraw/zinc/34/70/83/387347083.db2.gz	UPAXBRJWQYJCMZ-UHFFFAOYSA-N	1	1	241.266	2.098	10	5		BEBEMO
O=[N+]([O-])c1ccc([C@H]2CN3CCSC3=[NH+]2)cc1	ZINC000065748122	388678826	/nfs/dbraw/zinc/67/88/26/388678826.db2.gz	LPIVDKLFFJWWBT-SNVBAGLBSA-N	1	1	249.295	2.054	10	5	in-vitro	BEBEMO
C[N@H+]1CCc2ccc([N+](=O)[O-])c(Cl)c2CC1	ZINC000029060907	173171531	/nfs/dbraw/zinc/17/15/31/173171531.db2.gz	ROKNURNBPSXKMO-UHFFFAOYSA-N	1	1	240.690	2.279	10	5		BEBEMO
O=[N+]([O-])[C@]1(c2ccccc2)CC[C@@H]2CCC[N@H+]2C1	ZINC000114691994	368947683	/nfs/dbraw/zinc/94/76/83/368947683.db2.gz	DDXFLZNPVAJFQN-UONOGXRCSA-N	1	1	246.310	2.417	10	5		BEBEMO
CC[N@H+]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1	ZINC000040503226	373356582	/nfs/dbraw/zinc/35/65/82/373356582.db2.gz	WAZNWUKTMMMMRG-GFCCVEGCSA-N	1	1	249.314	2.491	10	5		BEBEMO
CC[N@H+]1CC[C@@H](Nc2ccccc2[N+](=O)[O-])C1	ZINC000328175188	170014308	/nfs/dbraw/zinc/01/43/08/170014308.db2.gz	KZXFJBUKLZXAQI-SNVBAGLBSA-N	1	1	235.287	2.101	10	5		BEBEMO
Cc1ccc(-c2cnc(C[NH3+])o2)cc1[N+](=O)[O-]	ZINC000075429857	178329341	/nfs/dbraw/zinc/32/93/41/178329341.db2.gz	QXOMPPZRQYHOJY-UHFFFAOYSA-N	1	1	233.227	2.017	10	5		BEBEMO
C[C@@H]1C[NH2+][C@H](c2ccc([N+](=O)[O-])s2)S1	ZINC000235374164	344897589	/nfs/dbraw/zinc/89/75/89/344897589.db2.gz	PFLUGDBTMBTDNL-XRGYYRRGSA-N	1	1	230.314	2.380	10	5		BEBEMO
CCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1NC	ZINC000050813197	169080570	/nfs/dbraw/zinc/08/05/70/169080570.db2.gz	UDOIAGGZKSZIHB-UHFFFAOYSA-N	1	1	237.303	2.478	10	5		BEBEMO
CC[N@H+]1CC[C@H](Nc2ccccc2[N+](=O)[O-])C1	ZINC000328175187	170022608	/nfs/dbraw/zinc/02/26/08/170022608.db2.gz	KZXFJBUKLZXAQI-JTQLQIEISA-N	1	1	235.287	2.101	10	5		BEBEMO
CC[NH2+]Cc1c[nH]c(-c2ccccc2[N+](=O)[O-])n1	ZINC000062821018	170124738	/nfs/dbraw/zinc/12/47/38/170124738.db2.gz	KNCFZHBGEYPTFB-UHFFFAOYSA-N	1	1	246.270	2.094	10	5		BEBEMO
O=[N+]([O-])c1ccc([C@H]2[NH2+]CCn3cccc32)cc1	ZINC000031889956	187230449	/nfs/dbraw/zinc/23/04/49/187230449.db2.gz	XPAXUVFKFLKILL-CYBMUJFWSA-N	1	1	243.266	2.089	10	5		BEBEMO
CNc1[nH]cc(-c2ccc([N+](=O)[O-])cc2)[nH+]1	ZINC000072112393	173487868	/nfs/dbraw/zinc/48/78/68/173487868.db2.gz	VZZJNIBYCNWFRI-UHFFFAOYSA-N	1	1	218.216	2.027	10	5		BEBEMO
C[N@@H+]1CC=C(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000027194744	344234266	/nfs/dbraw/zinc/23/42/66/344234266.db2.gz	QVJDJQCVBWSNHI-UHFFFAOYSA-N	1	1	218.256	2.314	10	5		BEBEMO
Cc1[nH+]cn(Cc2cc([N+](=O)[O-])ccc2N)c1C	ZINC000051928359	180287707	/nfs/dbraw/zinc/28/77/07/180287707.db2.gz	FVNDNXOYQUPPMC-UHFFFAOYSA-N	1	1	246.270	2.039	10	5		BEBEMO
CC[N@H+]1CC[C@@H](Nc2cc(C)ccc2[N+](=O)[O-])C1	ZINC000336885537	170014206	/nfs/dbraw/zinc/01/42/06/170014206.db2.gz	AVXREGHUXGVUCC-LLVKDONJSA-N	1	1	249.314	2.409	10	5		BEBEMO
Cc1cc(N[C@H]2CC[N@H+](C)C2)c([N+](=O)[O-])cc1C	ZINC000061989853	178190739	/nfs/dbraw/zinc/19/07/39/178190739.db2.gz	KGAOJEZZAKBTJV-NSHDSACASA-N	1	1	249.314	2.328	10	5		BEBEMO
[NH3+]Cc1ccc(CN2CCCCC2)cc1[N+](=O)[O-]	ZINC000165392568	343141597	/nfs/dbraw/zinc/14/15/97/343141597.db2.gz	JNMHWPHLNLWJJL-UHFFFAOYSA-N	1	1	249.314	2.039	10	5		BEBEMO
C[C@H]1C[NH2+][C@H](c2ccc([N+](=O)[O-])s2)S1	ZINC000235686753	345164333	/nfs/dbraw/zinc/16/43/33/345164333.db2.gz	PFLUGDBTMBTDNL-XNCJUZBTSA-N	1	1	230.314	2.380	10	5		BEBEMO
[NH3+][C@@H](c1ccc([N+](=O)[O-])o1)c1cccs1	ZINC000035379686	357210531	/nfs/dbraw/zinc/21/05/31/357210531.db2.gz	FAAISYSIKOEFLU-VIFPVBQESA-N	1	1	224.241	2.297	10	5		BEBEMO
CC[N@@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1	ZINC000126271997	384783465	/nfs/dbraw/zinc/78/34/65/384783465.db2.gz	IKEORTNLNMZILK-UHFFFAOYSA-N	1	1	208.261	2.355	10	5		BEBEMO
C[NH+](C)/C=C\c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000033363312	172351921	/nfs/dbraw/zinc/35/19/21/172351921.db2.gz	MHIRUPHZSNZDCI-WAYWQWQTSA-N	1	1	237.215	2.035	10	5		BEBEMO
C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1	ZINC000039110208	173048346	/nfs/dbraw/zinc/04/83/46/173048346.db2.gz	UUUUSXUSFHOGFQ-NSHDSACASA-N	1	1	220.272	2.404	10	5		BEBEMO
C[C@H]1CCC[N@@H+]1CC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000037911669	177109186	/nfs/dbraw/zinc/10/91/86/177109186.db2.gz	JEYJAWUNGQANHW-JTQLQIEISA-N	1	1	248.282	2.262	10	5		BEBEMO
C[C@H]1CCC[N@H+]1CC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000037911669	177109189	/nfs/dbraw/zinc/10/91/89/177109189.db2.gz	JEYJAWUNGQANHW-JTQLQIEISA-N	1	1	248.282	2.262	10	5		BEBEMO
C[C@@H]1C[NH2+][C@@H](c2ccc([N+](=O)[O-])s2)S1	ZINC000235357018	344893924	/nfs/dbraw/zinc/89/39/24/344893924.db2.gz	PFLUGDBTMBTDNL-SVGQVSJJSA-N	1	1	230.314	2.380	10	5		BEBEMO
CC[N@@H+](C)CCNc1sccc1[N+](=O)[O-]	ZINC000301935127	388714991	/nfs/dbraw/zinc/71/49/91/388714991.db2.gz	OZKNOLYBOZAOIU-UHFFFAOYSA-N	1	1	229.305	2.020	10	5		BEBEMO
CC(C)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2)C1	ZINC000044572637	167024419	/nfs/dbraw/zinc/02/44/19/167024419.db2.gz	SMQPPTBLCDIZDQ-LBPRGKRZSA-N	1	1	249.314	2.489	10	5		BEBEMO
C[NH+](C)/C=C\c1cc(Cl)ncc1[N+](=O)[O-]	ZINC000035239604	172352722	/nfs/dbraw/zinc/35/27/22/172352722.db2.gz	ZKXSBZKRONWVMK-ARJAWSKDSA-N	1	1	227.651	2.176	10	5		BEBEMO
C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1	ZINC000039110209	173022834	/nfs/dbraw/zinc/02/28/34/173022834.db2.gz	UUUUSXUSFHOGFQ-LLVKDONJSA-N	1	1	220.272	2.404	10	5		BEBEMO
C[C@@H]([NH2+]Cc1cn[nH]c1)c1ccccc1[N+](=O)[O-]	ZINC000038005533	175904273	/nfs/dbraw/zinc/90/42/73/175904273.db2.gz	SBEMJZJCJAUYFG-SECBINFHSA-N	1	1	246.270	2.169	10	5		BEBEMO
C[C@H]1C[C@H]1C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1N	ZINC000104412218	177379242	/nfs/dbraw/zinc/37/92/42/177379242.db2.gz	AXZSESKITPVNCQ-UWVGGRQHSA-N	1	1	249.314	2.265	10	5		BEBEMO
CC(C)[N@H+]1CC[C@@H](Nc2ccccc2[N+](=O)[O-])C1	ZINC000044572647	188123869	/nfs/dbraw/zinc/12/38/69/188123869.db2.gz	WDTNMMNMYKUPGF-LLVKDONJSA-N	1	1	249.314	2.489	10	5		BEBEMO
NC(=[NH2+])c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000000001818	181194038	/nfs/dbraw/zinc/19/40/38/181194038.db2.gz	FYUZOMGBPKUZNJ-UHFFFAOYSA-N	1	1	231.211	2.139	10	5	in-man	BEBEMO
[NH3+][C@H](c1ccc([N+](=O)[O-])o1)c1cccs1	ZINC000035379685	357210333	/nfs/dbraw/zinc/21/03/33/357210333.db2.gz	FAAISYSIKOEFLU-SECBINFHSA-N	1	1	224.241	2.297	10	5		BEBEMO
CC(C)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1	ZINC000044572639	384344709	/nfs/dbraw/zinc/34/47/09/384344709.db2.gz	SMQPPTBLCDIZDQ-GFCCVEGCSA-N	1	1	249.314	2.489	10	5		BEBEMO
CC(=O)c1ccc(-n2cc[nH+]c2C)c([N+](=O)[O-])c1	ZINC000019871218	386790231	/nfs/dbraw/zinc/79/02/31/386790231.db2.gz	VQVGAGOIUVQKOJ-UHFFFAOYSA-N	1	1	245.238	2.292	10	5		BEBEMO
CC[N@H+]1CC[C@@H](Nc2ccc(C)cc2[N+](=O)[O-])C1	ZINC000328191710	170014605	/nfs/dbraw/zinc/01/46/05/170014605.db2.gz	PPBWJSMVNNLXKZ-LLVKDONJSA-N	1	1	249.314	2.409	10	5		BEBEMO
C[C@@H]1C[C@@H]1C[N@@H+](C)Cc1ccc(N)c([N+](=O)[O-])c1	ZINC000104413788	176391388	/nfs/dbraw/zinc/39/13/88/176391388.db2.gz	FDYGUTHIVHXYAW-MWLCHTKSSA-N	1	1	249.314	2.265	10	5		BEBEMO
CC[N@H+]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2)C1	ZINC000040503225	350369772	/nfs/dbraw/zinc/36/97/72/350369772.db2.gz	WAZNWUKTMMMMRG-LBPRGKRZSA-N	1	1	249.314	2.491	10	5		BEBEMO
CCc1[nH+]ccn1-c1cccc(F)c1[N+](=O)[O-]	ZINC000054269768	188127349	/nfs/dbraw/zinc/12/73/49/188127349.db2.gz	FWFDXNJECJOKHD-UHFFFAOYSA-N	1	1	235.218	2.482	10	5		BEBEMO
C[N@H+](Cc1csc([N+](=O)[O-])c1)CC1CC1	ZINC000054223474	359688083	/nfs/dbraw/zinc/68/80/83/359688083.db2.gz	AJPVRKFEKKLSNE-UHFFFAOYSA-N	1	1	226.301	2.498	10	5		BEBEMO
O=[N+]([O-])[C@@]1(c2ccccc2)CC[C@@H]2CCC[N@H+]2C1	ZINC000114691996	368947441	/nfs/dbraw/zinc/94/74/41/368947441.db2.gz	DDXFLZNPVAJFQN-KBPBESRZSA-N	1	1	246.310	2.417	10	5		BEBEMO
C[N@H+](Cc1csc([N+](=O)[O-])c1)C1CC1	ZINC000054174649	388020510	/nfs/dbraw/zinc/02/05/10/388020510.db2.gz	VKMRSFHWOJRQLJ-UHFFFAOYSA-N	1	1	212.274	2.251	10	5		BEBEMO
C[N@@H+](Cc1csc([N+](=O)[O-])c1)C1CC1	ZINC000054174649	388020517	/nfs/dbraw/zinc/02/05/17/388020517.db2.gz	VKMRSFHWOJRQLJ-UHFFFAOYSA-N	1	1	212.274	2.251	10	5		BEBEMO
CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1	ZINC000328455385	170013661	/nfs/dbraw/zinc/01/36/61/170013661.db2.gz	FEKCXEOBXBCTQF-LLVKDONJSA-N	1	1	235.287	2.101	10	5		BEBEMO
C[C@H]1CCC[N@H+]1Cc1ccc(N)c([N+](=O)[O-])c1	ZINC000050791645	177109990	/nfs/dbraw/zinc/10/99/90/177109990.db2.gz	YHAWMLRBHFLBRO-VIFPVBQESA-N	1	1	235.287	2.161	10	5		BEBEMO
C[C@H]1C[C@@H]1C[N@@H+](C)Cc1ccc(N)c([N+](=O)[O-])c1	ZINC000104413791	177342523	/nfs/dbraw/zinc/34/25/23/177342523.db2.gz	FDYGUTHIVHXYAW-GXSJLCMTSA-N	1	1	249.314	2.265	10	5		BEBEMO
CC[C@H]1Cc2ccc([N+](=O)[O-])cc2C[N@H+]1C	ZINC000039102194	344847309	/nfs/dbraw/zinc/84/73/09/344847309.db2.gz	GGWNUJMLWVRXCM-NSHDSACASA-N	1	1	220.272	2.361	10	5		BEBEMO
O=[N+]([O-])[C@]1(c2ccccc2)CC[C@H]2CCC[N@H+]2C1	ZINC000114691997	368948333	/nfs/dbraw/zinc/94/83/33/368948333.db2.gz	DDXFLZNPVAJFQN-ZIAGYGMSSA-N	1	1	246.310	2.417	10	5		BEBEMO
O=[N+]([O-])c1cccc([C@H]2CN3CCSC3=[NH+]2)c1	ZINC000004213983	372171100	/nfs/dbraw/zinc/17/11/00/372171100.db2.gz	RFAYUIIWPKWNKY-SNVBAGLBSA-N	1	1	249.295	2.054	10	5	in-man	BEBEMO
CC[N@H+]1CCC[C@@H](Nc2ccccc2[N+](=O)[O-])C1	ZINC000041066812	374102034	/nfs/dbraw/zinc/10/20/34/374102034.db2.gz	JAHIZHQCWWWIRH-LLVKDONJSA-N	1	1	249.314	2.491	10	5		BEBEMO
C[N@H+]1CCC[C@@H]1CCNc1ccc([N+](=O)[O-])cc1	ZINC000143783746	374250904	/nfs/dbraw/zinc/25/09/04/374250904.db2.gz	NHLRAHZAVGJEGC-GFCCVEGCSA-N	1	1	249.314	2.491	10	5		BEBEMO
CC[N@H+]1CC[C@H](Nc2cc(C)ccc2[N+](=O)[O-])C1	ZINC000336885715	170021719	/nfs/dbraw/zinc/02/17/19/170021719.db2.gz	AVXREGHUXGVUCC-NSHDSACASA-N	1	1	249.314	2.409	10	5		BEBEMO
CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(C)c2)C1	ZINC000328196158	170021907	/nfs/dbraw/zinc/02/19/07/170021907.db2.gz	QPKGTZPTVJQIKL-LBPRGKRZSA-N	1	1	249.314	2.409	10	5		BEBEMO
CC[NH2+]Cc1c[nH]c(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000062821023	170124396	/nfs/dbraw/zinc/12/43/96/170124396.db2.gz	ZMTPMVQKDQKISD-UHFFFAOYSA-N	1	1	246.270	2.094	10	5		BEBEMO
C[C@@H]1CCC[N@@H+]1CC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000037911668	176108214	/nfs/dbraw/zinc/10/82/14/176108214.db2.gz	JEYJAWUNGQANHW-SNVBAGLBSA-N	1	1	248.282	2.262	10	5		BEBEMO
C[C@@H]1CCC[N@H+]1CC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000037911668	176108216	/nfs/dbraw/zinc/10/82/16/176108216.db2.gz	JEYJAWUNGQANHW-SNVBAGLBSA-N	1	1	248.282	2.262	10	5		BEBEMO
C[C@H]1C[C@H]1C[N@@H+](C)Cc1ccc(N)c([N+](=O)[O-])c1	ZINC000104413800	177379203	/nfs/dbraw/zinc/37/92/03/177379203.db2.gz	FDYGUTHIVHXYAW-ONGXEEELSA-N	1	1	249.314	2.265	10	5		BEBEMO
O=[N+]([O-])c1ccc(F)c(C[NH+]2CCCC2)c1	ZINC000117772458	343016127	/nfs/dbraw/zinc/01/61/27/343016127.db2.gz	DSVQTJPQOBZVBI-UHFFFAOYSA-N	1	1	224.235	2.330	10	5		BEBEMO
[NH3+][C@@H](c1ccc([N+](=O)[O-])o1)c1ccccc1	ZINC000035379494	181633455	/nfs/dbraw/zinc/63/34/55/181633455.db2.gz	RETQJFWPOWSJDP-LLVKDONJSA-N	1	1	218.212	2.236	10	5		BEBEMO
CC(C)[N@H+]1CC[C@H](Nc2ccccc2[N+](=O)[O-])C1	ZINC000044572645	167026115	/nfs/dbraw/zinc/02/61/15/167026115.db2.gz	WDTNMMNMYKUPGF-NSHDSACASA-N	1	1	249.314	2.489	10	5		BEBEMO
CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C)c2)C1	ZINC000328196156	170014452	/nfs/dbraw/zinc/01/44/52/170014452.db2.gz	QPKGTZPTVJQIKL-GFCCVEGCSA-N	1	1	249.314	2.409	10	5		BEBEMO
C[C@H]1C[N@@H+](C)[C@@H](C)c2cc([N+](=O)[O-])[nH]c21	ZINC000027655854	177239583	/nfs/dbraw/zinc/23/95/83/177239583.db2.gz	LODCSLMIKARQSW-BQBZGAKWSA-N	1	1	209.249	2.033	10	5		BEBEMO
C[NH+](C)/C=C/c1ccc(F)cc1[N+](=O)[O-]	ZINC000039644324	343391623	/nfs/dbraw/zinc/39/16/23/343391623.db2.gz	HSUNOBHQLAOKKH-AATRIKPKSA-N	1	1	210.208	2.266	10	5		BEBEMO
O=[N+]([O-])[C@@]1(c2ccccc2)CC[C@H]2CCC[N@H+]2C1	ZINC000114691999	368947941	/nfs/dbraw/zinc/94/79/41/368947941.db2.gz	DDXFLZNPVAJFQN-KGLIPLIRSA-N	1	1	246.310	2.417	10	5		BEBEMO
O=[N+]([O-])c1ccc([C@@H]2CN3CCSC3=[NH+]2)cc1	ZINC000097975549	344039144	/nfs/dbraw/zinc/03/91/44/344039144.db2.gz	LPIVDKLFFJWWBT-JTQLQIEISA-N	1	1	249.295	2.054	10	5		BEBEMO
Cc1[nH+]cn(-c2ccc([N+](=O)[O-])cc2C=O)c1C	ZINC000051927221	180285175	/nfs/dbraw/zinc/28/51/75/180285175.db2.gz	DCNYOBRNJJLJMC-UHFFFAOYSA-N	1	1	245.238	2.210	10	5		BEBEMO
CC[N@H+]1CC[C@H](Nc2ccc(C)cc2[N+](=O)[O-])C1	ZINC000328191712	170022923	/nfs/dbraw/zinc/02/29/23/170022923.db2.gz	PPBWJSMVNNLXKZ-NSHDSACASA-N	1	1	249.314	2.409	10	5		BEBEMO
C[C@H]1C[C@@H]1C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1N	ZINC000104412212	177342052	/nfs/dbraw/zinc/34/20/52/177342052.db2.gz	AXZSESKITPVNCQ-VHSXEESVSA-N	1	1	249.314	2.265	10	5		BEBEMO
C[N@@H+]1CC=C(Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000116781113	368343129	/nfs/dbraw/zinc/34/31/29/368343129.db2.gz	BUFCNFXRGDNPBC-UHFFFAOYSA-N	1	1	232.283	2.399	10	5		BEBEMO
C[C@H]([NH2+]Cc1cn[nH]c1)c1ccccc1[N+](=O)[O-]	ZINC000038005532	387736613	/nfs/dbraw/zinc/73/66/13/387736613.db2.gz	SBEMJZJCJAUYFG-VIFPVBQESA-N	1	1	246.270	2.169	10	5		BEBEMO
CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2)C1	ZINC000328455390	170022350	/nfs/dbraw/zinc/02/23/50/170022350.db2.gz	FEKCXEOBXBCTQF-NSHDSACASA-N	1	1	235.287	2.101	10	5		BEBEMO
CC[C@@H]1Cc2ccc([N+](=O)[O-])cc2C[N@H+]1C	ZINC000039102193	171143327	/nfs/dbraw/zinc/14/33/27/171143327.db2.gz	GGWNUJMLWVRXCM-LLVKDONJSA-N	1	1	220.272	2.361	10	5		BEBEMO
C[C@@H]1CCC[N@H+]1Cc1ccc(N)c([N+](=O)[O-])c1	ZINC000050791644	176108473	/nfs/dbraw/zinc/10/84/73/176108473.db2.gz	YHAWMLRBHFLBRO-SECBINFHSA-N	1	1	235.287	2.161	10	5		BEBEMO
C[C@@H]1C[C@@H]1C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1N	ZINC000104412209	176391811	/nfs/dbraw/zinc/39/18/11/176391811.db2.gz	AXZSESKITPVNCQ-NXEZZACHSA-N	1	1	249.314	2.265	10	5		BEBEMO