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]([NH3+])Cc1cccc([N+](=O)[O-])c1	83186251	537896123	/nfs/dbraw/zinc/89/61/23/537896123.db2.gz	XJJVTSKPPVGNGC-ZETCQYMHSA-N	1	0	180.207	1.485	10	5		ADBERO
O=[N+]([O-])c1ccc(C=C2C[NH2+]C2)cc1	675056788	538449063	/nfs/dbraw/zinc/44/90/63/538449063.db2.gz	WXTWIFJUPXEUTL-UHFFFAOYSA-N	1	0	190.202	1.581	10	5		ADBERO
O=[N+]([O-])c1ccccc1C=C1C[NH2+]C1	675056756	538449270	/nfs/dbraw/zinc/44/92/70/538449270.db2.gz	WQEOMIDTAXGLNY-UHFFFAOYSA-N	1	0	190.202	1.581	10	5		ADBERO
Cc1ccc(O)cc1[N+](C)(C)C	1844045	571788031	/nfs/dbraw/zinc/78/80/31/571788031.db2.gz	JSGBTKWCLLGUQI-UHFFFAOYSA-O	1	0	166.244	1.897	10	5		ADBERO
C[NH2+][C@@H](C[N+](=O)[O-])c1ccccc1	687728589	571909689	/nfs/dbraw/zinc/90/96/89/571909689.db2.gz	JPEZCWMLUXDZIW-VIFPVBQESA-N	1	0	180.207	1.224	10	5		ADBERO
CCc1ccc([C@H]([NH3+])C[N+](=O)[O-])cc1	687728501	571910312	/nfs/dbraw/zinc/91/03/12/571910312.db2.gz	QIAQEJFJKISGTQ-SNVBAGLBSA-N	1	0	194.234	1.526	10	5		ADBERO
O=[N+]([O-])c1ccccc1C1C[NH2+]C1	59969708	571998391	/nfs/dbraw/zinc/99/83/91/571998391.db2.gz	BIVJDIALLPNAMH-UHFFFAOYSA-N	1	0	178.191	1.282	10	5		ADBERO
C[C@H]([NH3+])c1ccc(N)c([N+](=O)[O-])c1	104575013	573023061	/nfs/dbraw/zinc/02/30/61/573023061.db2.gz	HUTONLFVUGCXAY-YFKPBYRVSA-N	1	0	181.195	1.197	10	5		ADBERO
O=[N+]([O-])CC[NH+]1CCC2(CC1)CC2	1119691036	757797485	/nfs/dbraw/zinc/79/74/85/757797485.db2.gz	FTVFUMURXNBUND-UHFFFAOYSA-N	1	0	184.239	1.139	10	5		ADBERO
C[NH2+][C@@H](C)c1cc(C)c([N+](=O)[O-])cn1	238323674	573234523	/nfs/dbraw/zinc/23/45/23/573234523.db2.gz	YUTMGOJATJCVBT-ZETCQYMHSA-N	1	0	195.222	1.579	10	5		ADBERO
CC[C@H]([NH3+])c1cccnc1[N+](=O)[O-]	211616173	573246745	/nfs/dbraw/zinc/24/67/45/573246745.db2.gz	CMESNAZPEUJTLD-ZETCQYMHSA-N	1	0	181.195	1.400	10	5		ADBERO
CC[NH2+][C@H](C[N+](=O)[O-])c1ccncc1	308522283	573246781	/nfs/dbraw/zinc/24/67/81/573246781.db2.gz	PHGLCEHMFNCHKS-SECBINFHSA-N	1	0	195.222	1.009	10	5		ADBERO
CC[C@H]([NH3+])c1ccc(N)cc1[N+](=O)[O-]	238316662	573249571	/nfs/dbraw/zinc/24/95/71/573249571.db2.gz	LCTTWMXFAKDIJW-QMMMGPOBSA-N	1	0	195.222	1.587	10	5		ADBERO
CC[C@H]([NH3+])c1cnc(C)c([N+](=O)[O-])c1	238319449	573258049	/nfs/dbraw/zinc/25/80/49/573258049.db2.gz	OSMUDIQTUVOTEJ-QMMMGPOBSA-N	1	0	195.222	1.708	10	5		ADBERO
C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1N	238330819	573275487	/nfs/dbraw/zinc/27/54/87/573275487.db2.gz	QJADLCBVAQKYLS-LURJTMIESA-N	1	0	195.222	1.457	10	5		ADBERO
C[NH2+][C@H](C)c1cc(N)cc([N+](=O)[O-])c1	238332469	573281309	/nfs/dbraw/zinc/28/13/09/573281309.db2.gz	XHVASVOEBAGEOM-ZCFIWIBFSA-N	1	0	195.222	1.457	10	5		ADBERO
O=[N+]([O-])c1cccnc1[C@H]1CC[NH2+]1	211634706	573290687	/nfs/dbraw/zinc/29/06/87/573290687.db2.gz	IZNKPHWNBBCBNO-ZCFIWIBFSA-N	1	0	179.179	1.024	10	5		ADBERO
NC(=[NH2+])Sc1ccccc1[N+](=O)[O-]	69763812	573346010	/nfs/dbraw/zinc/34/60/10/573346010.db2.gz	JFOKOWBKLMYDQO-UHFFFAOYSA-N	1	0	197.219	1.580	10	5		ADBERO
COc1c(CC[NH3+])cccc1[N+](=O)[O-]	238379036	573393589	/nfs/dbraw/zinc/39/35/89/573393589.db2.gz	XJEDPNYDKOXZAL-UHFFFAOYSA-N	1	0	196.206	1.105	10	5		ADBERO
CC(C)([NH3+])Cc1ccccc1[N+](=O)[O-]	83184679	573440663	/nfs/dbraw/zinc/44/06/63/573440663.db2.gz	GECNRZGYIBSYSC-UHFFFAOYSA-N	1	0	194.234	1.875	10	5		ADBERO
C[NH+](C)CCc1ccncc1[N+](=O)[O-]	113563630	572041428	/nfs/dbraw/zinc/04/14/28/572041428.db2.gz	YNIRIVWDUNBEBR-UHFFFAOYSA-N	1	0	195.222	1.094	10	5		ADBERO
C[C@H]([NH3+])c1ccc([N+](=O)[O-])cc1F	83592028	572396147	/nfs/dbraw/zinc/39/61/47/572396147.db2.gz	VKAYVJQAVUVAAU-YFKPBYRVSA-N	1	0	184.170	1.754	10	5		ADBERO
C[C@H]([NH3+])c1cc(N)cc([N+](=O)[O-])c1	238422614	573514053	/nfs/dbraw/zinc/51/40/53/573514053.db2.gz	KFIWRROPTCCKES-YFKPBYRVSA-N	1	0	181.195	1.197	10	5		ADBERO
C[C@@H]([NH3+])Cc1cc([N+](=O)[O-])ccc1F	238430361	573531515	/nfs/dbraw/zinc/53/15/15/573531515.db2.gz	OTDLGGSKAGOLCO-ZCFIWIBFSA-N	1	0	198.197	1.624	10	5		ADBERO
C[C@H]([NH3+])c1cccc([N+](=O)[O-])c1F	238431333	573536247	/nfs/dbraw/zinc/53/62/47/573536247.db2.gz	QLEJIFUMSMNSAE-YFKPBYRVSA-N	1	0	184.170	1.754	10	5		ADBERO
[NH3+]C1(Cc2ccccc2[N+](=O)[O-])CC1	78676266	573583626	/nfs/dbraw/zinc/58/36/26/573583626.db2.gz	KBHMVDQQISJPBE-UHFFFAOYSA-N	1	0	192.218	1.629	10	5		ADBERO
CC(C)(C)[C@H](O)CC[N+](C)(C)C	238179467	572968555	/nfs/dbraw/zinc/96/85/55/572968555.db2.gz	RDJSNTZJDKHQCU-SECBINFHSA-N	1	0	174.308	1.490	10	5		ADBERO
CC[C@@H]([NH3+])c1cc(N)cc([N+](=O)[O-])c1	238275716	573091222	/nfs/dbraw/zinc/09/12/22/573091222.db2.gz	KJTRBDAXBHRPDR-SECBINFHSA-N	1	0	195.222	1.587	10	5		ADBERO
C[C@H]1[NH2+]CCc2cc([N+](=O)[O-])ccc21	115031649	573150950	/nfs/dbraw/zinc/15/09/50/573150950.db2.gz	MGPSOBBPJVRASS-SSDOTTSWSA-N	1	0	192.218	1.802	10	5		ADBERO
CC(C)[NH2+]Cc1ccncc1[N+](=O)[O-]	308505558	573153097	/nfs/dbraw/zinc/15/30/97/573153097.db2.gz	INTPUNJWRNNVFN-UHFFFAOYSA-N	1	0	195.222	1.488	10	5		ADBERO
CC[C@H]([NH3+])c1cc(N)ccc1[N+](=O)[O-]	238313574	573211673	/nfs/dbraw/zinc/21/16/73/573211673.db2.gz	UHQGQUCIUYONKD-QMMMGPOBSA-N	1	0	195.222	1.587	10	5		ADBERO
C[NH2+][C@H](C)c1ccc([N+](=O)[O-])nc1	238334550	573290102	/nfs/dbraw/zinc/29/01/02/573290102.db2.gz	LMVFYOBIKANMIF-ZCFIWIBFSA-N	1	0	181.195	1.270	10	5		ADBERO
C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1N	238334506	573290130	/nfs/dbraw/zinc/29/01/30/573290130.db2.gz	QJADLCBVAQKYLS-ZCFIWIBFSA-N	1	0	195.222	1.457	10	5		ADBERO
C[C@H]([NH3+])c1ccc(CO)cc1[N+](=O)[O-]	238425829	573523681	/nfs/dbraw/zinc/52/36/81/573523681.db2.gz	MZVJLMXHWHVISS-LURJTMIESA-N	1	0	196.206	1.107	10	5		ADBERO
C[C@H](C[C@H]1CCC[NH2+]C1)[N+](=O)[O-]	257827493	573527300	/nfs/dbraw/zinc/52/73/00/573527300.db2.gz	HXRSGJHRQRAMED-HTQZYQBOSA-N	1	0	172.228	1.041	10	5		ADBERO
C[C@@H]([NH3+])Cc1ccc([N+](=O)[O-])c([O-])c1	238432787	573567781	/nfs/dbraw/zinc/56/77/81/573567781.db2.gz	QDERKLRUKKDKPA-ZCFIWIBFSA-N	1	0	196.206	1.190	10	5		ADBERO
C[C@@H](C[C@@H]1CCC[N@@H+]1C)[N+](=O)[O-]	257831153	573567181	/nfs/dbraw/zinc/56/71/81/573567181.db2.gz	JNTXQPSUGGOYQT-YUMQZZPRSA-N	1	0	172.228	1.136	10	5		ADBERO
C[C@H]1Cc2c(cccc2[N+](=O)[O-])C[NH2+]1	238458610	573655125	/nfs/dbraw/zinc/65/51/25/573655125.db2.gz	OOXGOXNTZXFWQQ-ZETCQYMHSA-N	1	0	192.218	1.629	10	5		ADBERO
C[C@H]1[NH2+]Cc2c1cccc2[N+](=O)[O-]	238479508	573690519	/nfs/dbraw/zinc/69/05/19/573690519.db2.gz	YBKYNUAJYLWGJQ-ZCFIWIBFSA-N	1	0	178.191	1.759	10	5		ADBERO
C[C@@]1(C[N+](C)(C)C)CCC[C@H]1O	238495893	573723669	/nfs/dbraw/zinc/72/36/69/573723669.db2.gz	DVYFQPASBBKJSJ-ZJUUUORDSA-N	1	0	172.292	1.244	10	5		ADBERO
C[C@@]1(C[N+](C)(C)C)CCC[C@@H]1O	238495871	573725061	/nfs/dbraw/zinc/72/50/61/573725061.db2.gz	DVYFQPASBBKJSJ-UWVGGRQHSA-N	1	0	172.292	1.244	10	5		ADBERO
CC(C)([NH3+])c1cc([N+](=O)[O-])ccc1F	75934472	573736668	/nfs/dbraw/zinc/73/66/68/573736668.db2.gz	LIOFOFBUSISZHE-UHFFFAOYSA-N	1	0	198.197	1.928	10	5		ADBERO
Cc1ccc([N+](=O)[O-])cc1C1([NH3+])CC1	238506089	573760402	/nfs/dbraw/zinc/76/04/02/573760402.db2.gz	YKPQHVXQGSUCAR-UHFFFAOYSA-N	1	0	192.218	1.851	10	5		ADBERO
Cc1ccc([N+](=O)[O-])c2c1[C@H]([NH3+])CC2	238505669	573760593	/nfs/dbraw/zinc/76/05/93/573760593.db2.gz	KRNIFUWMHURXCZ-MRVPVSSYSA-N	1	0	192.218	1.849	10	5		ADBERO
Cc1c([N+](=O)[O-])ccc2c1[C@H]([NH3+])CO2	238510731	573773060	/nfs/dbraw/zinc/77/30/60/573773060.db2.gz	DKPGAGJZEZZZLI-ZCFIWIBFSA-N	1	0	194.190	1.295	10	5		ADBERO
Cc1c([N+](=O)[O-])ccc2c1[C@@H]([NH3+])CO2	238510749	573773072	/nfs/dbraw/zinc/77/30/72/573773072.db2.gz	DKPGAGJZEZZZLI-LURJTMIESA-N	1	0	194.190	1.295	10	5		ADBERO
Cc1c([N+](=O)[O-])ccc2c1OC[C@@H]2[NH3+]	238510802	573774568	/nfs/dbraw/zinc/77/45/68/573774568.db2.gz	NTQKQBAZEUFIND-ZETCQYMHSA-N	1	0	194.190	1.295	10	5		ADBERO
Cc1c([N+](=O)[O-])cccc1C1([NH3+])CC1	238511144	573774787	/nfs/dbraw/zinc/77/47/87/573774787.db2.gz	DJIBYPICGCIPPO-UHFFFAOYSA-N	1	0	192.218	1.851	10	5		ADBERO
Cc1c([N+](=O)[O-])ccc2c1OC[C@H]2[NH3+]	238510835	573774882	/nfs/dbraw/zinc/77/48/82/573774882.db2.gz	NTQKQBAZEUFIND-SSDOTTSWSA-N	1	0	194.190	1.295	10	5		ADBERO
Cc1c([C@@H]2CC[NH2+]2)cccc1[N+](=O)[O-]	238511928	573776568	/nfs/dbraw/zinc/77/65/68/573776568.db2.gz	FPVLKRMALUQHGD-VIFPVBQESA-N	1	0	192.218	1.938	10	5		ADBERO
Cc1cccc([N+](=O)[O-])c1CC[NH3+]	238528127	573806022	/nfs/dbraw/zinc/80/60/22/573806022.db2.gz	FBPVLTOZZOQABO-UHFFFAOYSA-N	1	0	180.207	1.404	10	5		ADBERO
CC(C)([NH3+])c1cccc([N+](=O)[O-])c1N	238155345	573835088	/nfs/dbraw/zinc/83/50/88/573835088.db2.gz	SYWSLRVYYSKWEV-UHFFFAOYSA-N	1	0	195.222	1.371	10	5		ADBERO
CC(C)([NH3+])c1ccc(F)c([N+](=O)[O-])c1	238152937	573849361	/nfs/dbraw/zinc/84/93/61/573849361.db2.gz	BFYQBUSIIGSNAE-UHFFFAOYSA-N	1	0	198.197	1.928	10	5		ADBERO
C[C@H](C[NH3+])c1cc([N+](=O)[O-])ccc1O	258163053	573853116	/nfs/dbraw/zinc/85/31/16/573853116.db2.gz	VEQLECIKEJDQFR-ZCFIWIBFSA-N	1	0	196.206	1.363	10	5		ADBERO
Cc1cc([N+](=O)[O-])c(C)nc1C[NH3+]	238551716	573875115	/nfs/dbraw/zinc/87/51/15/573875115.db2.gz	FPNQBMCEXHLBAG-UHFFFAOYSA-N	1	0	181.195	1.065	10	5		ADBERO
Cc1cc([N+](=O)[O-])cc2c1[C@@H]([NH3+])CC2	238553129	573880651	/nfs/dbraw/zinc/88/06/51/573880651.db2.gz	JOCFTNDULYWANE-VIFPVBQESA-N	1	0	192.218	1.849	10	5		ADBERO
C[C@H](C[C@@H]1CCC[N@H+](C)C1)[N+](=O)[O-]	257910315	573953388	/nfs/dbraw/zinc/95/33/88/573953388.db2.gz	QGIHNQOBCKLKMP-BDAKNGLRSA-N	1	0	186.255	1.384	10	5		ADBERO
C[C@@H]([C@H]([NH3+])c1ccccc1)[N+](=O)[O-]	247962392	573967983	/nfs/dbraw/zinc/96/79/83/573967983.db2.gz	FVYYMDJGAAHLPZ-CBAPKCEASA-N	1	0	180.207	1.352	10	5		ADBERO
Cc1nc([C@@H]2CC[NH2+]2)ccc1[N+](=O)[O-]	104454005	573983701	/nfs/dbraw/zinc/98/37/01/573983701.db2.gz	YYJYXPUFEXPUBZ-ZETCQYMHSA-N	1	0	193.206	1.333	10	5		ADBERO
O=[N+]([O-])CC[N@@H+]1C[C@H]2CCCC[C@H]21	1195834110	761704479	/nfs/dbraw/zinc/70/44/79/761704479.db2.gz	KZPSUZRKUJTWRP-RKDXNWHRSA-N	1	0	184.239	1.138	10	5		ADBERO
C[C@H]1CCC(C)(C)[N@@H+]1CC[N+](=O)[O-]	930665066	673946011	/nfs/dbraw/zinc/94/60/11/673946011.db2.gz	DNQRCBUFTKXKHL-QMMMGPOBSA-N	1	0	186.255	1.526	10	5		ADBERO
C[C@@H]1CCC(C)(C)[N@@H+]1CC[N+](=O)[O-]	930665062	673946125	/nfs/dbraw/zinc/94/61/25/673946125.db2.gz	DNQRCBUFTKXKHL-MRVPVSSYSA-N	1	0	186.255	1.526	10	5		ADBERO
O=[N+]([O-])CC[NH2+][C@H]1CC2CCC1CC2	930566317	674053341	/nfs/dbraw/zinc/05/33/41/674053341.db2.gz	RWJZRHJDKAZJPI-RTBKNWGFSA-N	1	0	198.266	1.431	10	5		ADBERO
O=[N+]([O-])CC[NH2+][C@@H]1CC2CCC1CC2	930566318	674052803	/nfs/dbraw/zinc/05/28/03/674052803.db2.gz	RWJZRHJDKAZJPI-UDNWOFFPSA-N	1	0	198.266	1.431	10	5		ADBERO
CC[N@H+](CC[N+](=O)[O-])CC(C)(C)C	930532806	674053331	/nfs/dbraw/zinc/05/33/31/674053331.db2.gz	BTXFMAONQGBQGB-UHFFFAOYSA-N	1	0	188.271	1.631	10	5		ADBERO
O=[N+]([O-])CC[NH+]1CCC(C2CC2)CC1	930544099	674053397	/nfs/dbraw/zinc/05/33/97/674053397.db2.gz	BZIWMKDQAXTAHC-UHFFFAOYSA-N	1	0	198.266	1.385	10	5		ADBERO
CC(C)C1([NH2+]CC[N+](=O)[O-])CC1	930578612	674053799	/nfs/dbraw/zinc/05/37/99/674053799.db2.gz	MDLUVHFFFFLBJM-UHFFFAOYSA-N	1	0	172.228	1.041	10	5		ADBERO
O=[N+]([O-])CC[N@@H+]1C[C@H]2CCCC[C@H]2C1	930635663	674055211	/nfs/dbraw/zinc/05/52/11/674055211.db2.gz	CVXZHIHAQJZDIO-AOOOYVTPSA-N	1	0	198.266	1.385	10	5		ADBERO
O=[N+]([O-])CC[N@@H+]1CCCC2(CC2)C1	1262261158	1170127485	/nfs/dbraw/zinc/12/74/85/1170127485.db2.gz	GBJONOVOHSFXQR-UHFFFAOYSA-N	1	0	184.239	1.139	10	5		ADBERO
CC(C)[NH+](CC[N+](=O)[O-])C(C)C	1332713625	1170310492	/nfs/dbraw/zinc/31/04/92/1170310492.db2.gz	DMPXISKTMFXBJF-UHFFFAOYSA-N	1	0	174.244	1.382	10	5		ADBERO
C[N@H+](CC[N+](=O)[O-])C1(C)CCCC1	1341411952	1170435477	/nfs/dbraw/zinc/43/54/77/1170435477.db2.gz	RKDCRVXZPCVBBJ-UHFFFAOYSA-N	1	0	186.255	1.528	10	5		ADBERO
CC[C@H]1CC[N@H+](CC[N+](=O)[O-])[C@H]1C	1559769707	1170656052	/nfs/dbraw/zinc/65/60/52/1170656052.db2.gz	RRYYCWGCVTUGSM-IUCAKERBSA-N	1	0	186.255	1.384	10	5		ADBERO
CC[C@@H]1CC[N@H+](CC[N+](=O)[O-])[C@@H]1C	1559769708	1170657099	/nfs/dbraw/zinc/65/70/99/1170657099.db2.gz	RRYYCWGCVTUGSM-RKDXNWHRSA-N	1	0	186.255	1.384	10	5		ADBERO
CC[C@H]1CC[N@H+](CC[N+](=O)[O-])[C@@H]1C	1559769705	1170657215	/nfs/dbraw/zinc/65/72/15/1170657215.db2.gz	RRYYCWGCVTUGSM-BDAKNGLRSA-N	1	0	186.255	1.384	10	5		ADBERO
CC[C@@H]1CC[N@H+](CC[N+](=O)[O-])[C@H]1C	1559769706	1170658025	/nfs/dbraw/zinc/65/80/25/1170658025.db2.gz	RRYYCWGCVTUGSM-DTWKUNHWSA-N	1	0	186.255	1.384	10	5		ADBERO
CCC[C@H]1CCC[N@@H+]1CC[N+](=O)[O-]	1648535144	1170886421	/nfs/dbraw/zinc/88/64/21/1170886421.db2.gz	GYDPERCXHXVPHK-VIFPVBQESA-N	1	0	186.255	1.528	10	5		ADBERO
CCC[C@@H]1CCC[N@@H+]1CC[N+](=O)[O-]	1648535143	1170886492	/nfs/dbraw/zinc/88/64/92/1170886492.db2.gz	GYDPERCXHXVPHK-SECBINFHSA-N	1	0	186.255	1.528	10	5		ADBERO
CCC[NH2+]/C=C/C=C\[N+](=O)[O-]	213881424	571680244	/nfs/dbraw/zinc/68/02/44/571680244.db2.gz	DSZWQSKYSYJSNY-JOVCIAKGSA-N	1	0	156.185	1.290	10	5		ADBERO
Cc1cccc(OCC[NH3+])c1[N+](=O)[O-]	38081873	571712849	/nfs/dbraw/zinc/71/28/49/571712849.db2.gz	LKUIQPDJPDZDTI-UHFFFAOYSA-N	1	0	196.206	1.241	10	5		ADBERO
Cc1c(OCC[NH3+])cccc1[N+](=O)[O-]	38081540	571714614	/nfs/dbraw/zinc/71/46/14/571714614.db2.gz	JPFXFDJQNBGHRQ-UHFFFAOYSA-N	1	0	196.206	1.241	10	5		ADBERO
CC[C@@H]([NH3+])Cc1ccccc1[N+](=O)[O-]	38128146	571738637	/nfs/dbraw/zinc/73/86/37/571738637.db2.gz	YXGUMODSPMQVSV-SECBINFHSA-N	1	0	194.234	1.875	10	5		ADBERO
CC[C@H]([NH3+])Cc1ccccc1[N+](=O)[O-]	38128145	571739012	/nfs/dbraw/zinc/73/90/12/571739012.db2.gz	YXGUMODSPMQVSV-VIFPVBQESA-N	1	0	194.234	1.875	10	5		ADBERO
CC[C@H]([NH3+])Cc1ccc([N+](=O)[O-])cc1	38128893	571743499	/nfs/dbraw/zinc/74/34/99/571743499.db2.gz	CGZRQVGXDHRWAF-VIFPVBQESA-N	1	0	194.234	1.875	10	5		ADBERO
C[NH2+]C/C=C/c1ccc([N+](=O)[O-])s1	234348253	571771449	/nfs/dbraw/zinc/77/14/49/571771449.db2.gz	CVZMPUXSLLTJCG-NSCUHMNNSA-N	1	0	198.247	1.889	10	5		ADBERO
CCCCC[N+](C)(C)C	1627236	571776657	/nfs/dbraw/zinc/77/66/57/571776657.db2.gz	ACZOGADOAZWANS-UHFFFAOYSA-N	1	0	130.255	1.883	10	5		ADBERO
CSC[N+](C)(C)C	1682428	571780589	/nfs/dbraw/zinc/78/05/89/571780589.db2.gz	CQJCJDGKXWPTCN-UHFFFAOYSA-N	1	0	120.241	1.013	10	5		ADBERO
COc1ccc(O)cc1[N+](C)(C)C	1844074	571787503	/nfs/dbraw/zinc/78/75/03/571787503.db2.gz	BHXYNQDDNFWGOE-UHFFFAOYSA-O	1	0	182.243	1.598	10	5		ADBERO
Cc1cc(O)cc([N+](C)(C)C)c1	1844047	571787716	/nfs/dbraw/zinc/78/77/16/571787716.db2.gz	SKAJYBWQOLBZCJ-UHFFFAOYSA-O	1	0	166.244	1.897	10	5		ADBERO
Cc1c(C[C@H](C)[NH3+])cccc1[N+](=O)[O-]	83186272	571788023	/nfs/dbraw/zinc/78/80/23/571788023.db2.gz	GPWZMKIXBFINIC-ZETCQYMHSA-N	1	0	194.234	1.793	10	5		ADBERO
C=C(Br)[N+](C)(C)C	2018993	571788354	/nfs/dbraw/zinc/78/83/54/571788354.db2.gz	QQPYWMDWYCMHRH-UHFFFAOYSA-N	1	0	165.054	1.559	10	5		ADBERO
Cc1c(C[C@@H](C)[NH3+])cccc1[N+](=O)[O-]	83186269	571788972	/nfs/dbraw/zinc/78/89/72/571788972.db2.gz	GPWZMKIXBFINIC-SSDOTTSWSA-N	1	0	194.234	1.793	10	5		ADBERO
CC[N+](CC)(CC)CCF	2040623	571789588	/nfs/dbraw/zinc/78/95/88/571789588.db2.gz	NZKWQYFIWFYPNU-UHFFFAOYSA-N	1	0	148.245	1.832	10	5		ADBERO
CCC#CC[N+](C)(C)C	2038129	571789733	/nfs/dbraw/zinc/78/97/33/571789733.db2.gz	CLROAKXESZBFDG-UHFFFAOYSA-N	1	0	126.223	1.106	10	5		ADBERO
COc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2	140274141	571790281	/nfs/dbraw/zinc/79/02/81/571790281.db2.gz	VWMFFLFDDVUFIN-UHFFFAOYSA-N	1	0	194.190	1.207	10	5		ADBERO
CC(C)([NH3+])Cc1cccc([N+](=O)[O-])c1	83184626	571791473	/nfs/dbraw/zinc/79/14/73/571791473.db2.gz	KRJRRYZFUHLLRZ-UHFFFAOYSA-N	1	0	194.234	1.875	10	5		ADBERO
CC[C@@H]([NH3+])Cc1cccc([N+](=O)[O-])c1	83186497	571796030	/nfs/dbraw/zinc/79/60/30/571796030.db2.gz	XHTGMJYQZPJZIO-SECBINFHSA-N	1	0	194.234	1.875	10	5		ADBERO
CC[C@H]([NH3+])Cc1cccc([N+](=O)[O-])c1	83186494	571796076	/nfs/dbraw/zinc/79/60/76/571796076.db2.gz	XHTGMJYQZPJZIO-VIFPVBQESA-N	1	0	194.234	1.875	10	5		ADBERO
C[N+](C)(C)Cc1cccc(O)c1	3610525	571812918	/nfs/dbraw/zinc/81/29/18/571812918.db2.gz	CNKSWCLSTGWELB-UHFFFAOYSA-O	1	0	166.244	1.598	10	5		ADBERO
C[C@H]1O[C@H](C[N+](C)(C)C)CS1	3874572	571815850	/nfs/dbraw/zinc/81/58/50/571815850.db2.gz	NZAMMJKYTYHSHN-JGVFFNPUSA-N	1	0	176.305	1.171	10	5		ADBERO
C[NH2+][C@@H](C)Cc1cccc([N+](=O)[O-])c1	143649303	571841745	/nfs/dbraw/zinc/84/17/45/571841745.db2.gz	SCIVVOUJIXBPFV-QMMMGPOBSA-N	1	0	194.234	1.745	10	5		ADBERO
CCO[C@H](C)C[N+](C)(C)C	5650859	571843059	/nfs/dbraw/zinc/84/30/59/571843059.db2.gz	NTTQMSRKJUBUBR-MRVPVSSYSA-N	1	0	146.254	1.118	10	5		ADBERO
CCO[C@@H](C)C[N+](C)(C)C	5650826	571845607	/nfs/dbraw/zinc/84/56/07/571845607.db2.gz	NTTQMSRKJUBUBR-QMMMGPOBSA-N	1	0	146.254	1.118	10	5		ADBERO
CCCO[C@H](CC)C[N+](C)(C)C	5836091	571849567	/nfs/dbraw/zinc/84/95/67/571849567.db2.gz	MKXCZXSYODIEQI-SNVBAGLBSA-N	1	0	174.308	1.898	10	5		ADBERO
C=CC(=O)NCC[N+](CC)(CC)CC	2557983	571877435	/nfs/dbraw/zinc/87/74/35/571877435.db2.gz	BQXBBVMZXGOCPS-UHFFFAOYSA-O	1	0	199.318	1.165	10	5		ADBERO
NC1=[NH+][C@@H](CCC[N+](=O)[O-])CCCC1	687727645	571891416	/nfs/dbraw/zinc/89/14/16/571891416.db2.gz	RDBPDXRUDCDCEE-MRVPVSSYSA-N	1	0	199.254	1.553	10	5		ADBERO
CCCC[NH2+][C@@H](CCC)C[N+](=O)[O-]	687727616	571892647	/nfs/dbraw/zinc/89/26/47/571892647.db2.gz	AUCMELDHRVKWDG-VIFPVBQESA-N	1	0	188.271	1.822	10	5		ADBERO
CC1=C[C@@H]2C[C@@H]([N+](=O)[O-])CC[C@@H]2[NH2+]1	687727418	571891531	/nfs/dbraw/zinc/89/15/31/571891531.db2.gz	NXUJKBCGSBRJTE-VGMNWLOBSA-N	1	0	182.223	1.307	10	5		ADBERO
C[NH2+]C[C@H](C[N+](=O)[O-])c1ccccc1	687727612	571892213	/nfs/dbraw/zinc/89/22/13/571892213.db2.gz	YWIGOLJFNRDXIC-SNVBAGLBSA-N	1	0	194.234	1.266	10	5		ADBERO
CC[C@](C)(C[NH2+]C(C)C)[N+](=O)[O-]	687727419	571892354	/nfs/dbraw/zinc/89/23/54/571892354.db2.gz	POYKWRRJFOYELC-MRVPVSSYSA-N	1	0	174.244	1.430	10	5		ADBERO
NC1=[NH+][C@H](CCC[N+](=O)[O-])CCCC1	687727646	571892691	/nfs/dbraw/zinc/89/26/91/571892691.db2.gz	RDBPDXRUDCDCEE-QMMMGPOBSA-N	1	0	199.254	1.553	10	5		ADBERO
CC1=C[C@@H]2C[C@H]([N+](=O)[O-])CC[C@@H]2[NH2+]1	687727415	571892726	/nfs/dbraw/zinc/89/27/26/571892726.db2.gz	NXUJKBCGSBRJTE-HLTSFMKQSA-N	1	0	182.223	1.307	10	5		ADBERO
CC1=C[C@@H]2C[C@H]([N+](=O)[O-])CC[C@H]2[NH2+]1	687727417	571893087	/nfs/dbraw/zinc/89/30/87/571893087.db2.gz	NXUJKBCGSBRJTE-IWSPIJDZSA-N	1	0	182.223	1.307	10	5		ADBERO
CC[C@@](C)(C[NH2+]C(C)C)[N+](=O)[O-]	687727420	571893090	/nfs/dbraw/zinc/89/30/90/571893090.db2.gz	POYKWRRJFOYELC-QMMMGPOBSA-N	1	0	174.244	1.430	10	5		ADBERO
CC[C@H](C)[NH2+]CC(C)(C)[N+](=O)[O-]	687727425	571893222	/nfs/dbraw/zinc/89/32/22/571893222.db2.gz	SFJPYAFIXPCBPC-ZETCQYMHSA-N	1	0	174.244	1.430	10	5		ADBERO
CC1=C[C@@H]2C[C@@H]([N+](=O)[O-])CC[C@H]2[NH2+]1	687727416	571893288	/nfs/dbraw/zinc/89/32/88/571893288.db2.gz	NXUJKBCGSBRJTE-HRDYMLBCSA-N	1	0	182.223	1.307	10	5		ADBERO
C[NH2+]C[C@@H](C[N+](=O)[O-])c1ccccc1	687727611	571893473	/nfs/dbraw/zinc/89/34/73/571893473.db2.gz	YWIGOLJFNRDXIC-JTQLQIEISA-N	1	0	194.234	1.266	10	5		ADBERO
CC[C@@H](C)[NH2+]CC(C)(C)[N+](=O)[O-]	687727424	571893640	/nfs/dbraw/zinc/89/36/40/571893640.db2.gz	SFJPYAFIXPCBPC-SSDOTTSWSA-N	1	0	174.244	1.430	10	5		ADBERO
CCCC[NH2+][C@H](CCC)C[N+](=O)[O-]	687727615	571893702	/nfs/dbraw/zinc/89/37/02/571893702.db2.gz	AUCMELDHRVKWDG-SECBINFHSA-N	1	0	188.271	1.822	10	5		ADBERO
CNC(=[NH2+])c1cccc(C)c1[N+](=O)[O-]	687727482	571895728	/nfs/dbraw/zinc/89/57/28/571895728.db2.gz	UXJSCWSDAALJKM-UHFFFAOYSA-N	1	0	193.206	1.448	10	5		ADBERO
CCCC[NH2+]C(C)(C)C[N+](=O)[O-]	687727343	571896821	/nfs/dbraw/zinc/89/68/21/571896821.db2.gz	OUTHWEMARNMDMT-UHFFFAOYSA-N	1	0	174.244	1.431	10	5		ADBERO
CNc1ccc(CC[NH3+])cc1[N+](=O)[O-]	687727730	571896998	/nfs/dbraw/zinc/89/69/98/571896998.db2.gz	KXRGFSITPVPYBD-UHFFFAOYSA-N	1	0	195.222	1.138	10	5		ADBERO
NC(=[NH2+])/C=C\c1ccc([N+](=O)[O-])o1	687727842	571897936	/nfs/dbraw/zinc/89/79/36/571897936.db2.gz	OMQACBGSFCTZRK-IWQZZHSRSA-N	1	0	181.151	1.137	10	5		ADBERO
NC(=[NH2+])/C=C/c1ccc([N+](=O)[O-])o1	687727841	571898721	/nfs/dbraw/zinc/89/87/21/571898721.db2.gz	OMQACBGSFCTZRK-HNQUOIGGSA-N	1	0	181.151	1.137	10	5		ADBERO
CCc1cccc([N+](=O)[O-])c1C[NH3+]	687727973	571899076	/nfs/dbraw/zinc/89/90/76/571899076.db2.gz	LEQSSLFHWJOJRT-UHFFFAOYSA-N	1	0	180.207	1.616	10	5		ADBERO
O=[N+]([O-])c1cnc2c(c1)C[NH2+]CCC2	687728246	571900876	/nfs/dbraw/zinc/90/08/76/571900876.db2.gz	XJROIMMKEZPWSR-UHFFFAOYSA-N	1	0	193.206	1.026	10	5		ADBERO
CNc1cc(C[NH3+])ccc1[N+](=O)[O-]	687728232	571902214	/nfs/dbraw/zinc/90/22/14/571902214.db2.gz	QAFLHNJUVHETTB-UHFFFAOYSA-N	1	0	181.195	1.095	10	5		ADBERO
O=[N+]([O-])CC[NH2+]C1CCCCC1	687728021	571903569	/nfs/dbraw/zinc/90/35/69/571903569.db2.gz	HJLATHXWBGLLDP-UHFFFAOYSA-N	1	0	172.228	1.185	10	5		ADBERO
NC=CNc1cccc([N+](=O)[O-])c1	687728048	571902988	/nfs/dbraw/zinc/90/29/88/571902988.db2.gz	WUQDVPIWGLYTMM-SNAWJCMRSA-N	1	0	179.179	1.437	10	5		ADBERO
CNc1cc(C[NH3+])cc([N+](=O)[O-])c1	687728774	571903656	/nfs/dbraw/zinc/90/36/56/571903656.db2.gz	QGFQYCCGQIJPAF-UHFFFAOYSA-N	1	0	181.195	1.095	10	5		ADBERO
Cc1c([N+](=O)[O-])cc2nc[nH]c2c1N	687728125	571903913	/nfs/dbraw/zinc/90/39/13/571903913.db2.gz	MZGBMQBSGYIFHF-UHFFFAOYSA-N	1	0	192.178	1.362	10	5		ADBERO
NC=CNc1cccc([N+](=O)[O-])c1	687728047	571904117	/nfs/dbraw/zinc/90/41/17/571904117.db2.gz	WUQDVPIWGLYTMM-PLNGDYQASA-N	1	0	179.179	1.437	10	5		ADBERO
Cc1ccc([C@H]([NH3+])C[N+](=O)[O-])c(C)c1	687728485	571905227	/nfs/dbraw/zinc/90/52/27/571905227.db2.gz	GVRQFUPQQFFLJP-SNVBAGLBSA-N	1	0	194.234	1.580	10	5		ADBERO
CC1=NCC(C)(C)NC(C)=C1[N+](=O)[O-]	687728050	571904575	/nfs/dbraw/zinc/90/45/75/571904575.db2.gz	XYPGTQCIKYIIBL-UHFFFAOYSA-N	1	0	197.238	1.337	10	5		ADBERO
Cc1ccccc1[C@H]([NH3+])C[N+](=O)[O-]	687728433	571905141	/nfs/dbraw/zinc/90/51/41/571905141.db2.gz	BYMNFFRYRHUEDK-SECBINFHSA-N	1	0	180.207	1.272	10	5		ADBERO
Cc1ccccc1[C@@H]([NH3+])C[N+](=O)[O-]	687728434	571905868	/nfs/dbraw/zinc/90/58/68/571905868.db2.gz	BYMNFFRYRHUEDK-VIFPVBQESA-N	1	0	180.207	1.272	10	5		ADBERO
Cc1ccc([C@@H]([NH3+])C[N+](=O)[O-])c(C)c1	687728484	571906320	/nfs/dbraw/zinc/90/63/20/571906320.db2.gz	GVRQFUPQQFFLJP-JTQLQIEISA-N	1	0	194.234	1.580	10	5		ADBERO
C[C@@H]1[NH2+]CCc2sc([N+](=O)[O-])cc21	687728596	571908396	/nfs/dbraw/zinc/90/83/96/571908396.db2.gz	LYUBXIUKZKCILR-YFKPBYRVSA-N	1	0	198.247	1.863	10	5		ADBERO
C[NH2+][C@H](C[N+](=O)[O-])c1ccccc1	687728588	571908504	/nfs/dbraw/zinc/90/85/04/571908504.db2.gz	JPEZCWMLUXDZIW-SECBINFHSA-N	1	0	180.207	1.224	10	5		ADBERO
CCc1ccc([C@@H]([NH3+])C[N+](=O)[O-])cc1	687728500	571909478	/nfs/dbraw/zinc/90/94/78/571909478.db2.gz	QIAQEJFJKISGTQ-JTQLQIEISA-N	1	0	194.234	1.526	10	5		ADBERO
[NH3+]CCCC1([N+](=O)[O-])CCCCC1	687808373	571923660	/nfs/dbraw/zinc/92/36/60/571923660.db2.gz	XCFRDCIRGXMYAY-UHFFFAOYSA-N	1	0	186.255	1.705	10	5		ADBERO
Cc1cccc(NC(N)=[NH2+])c1[N+](=O)[O-]	687808532	571929511	/nfs/dbraw/zinc/92/95/11/571929511.db2.gz	UTMVYAYHPPMRKU-UHFFFAOYSA-N	1	0	194.194	1.209	10	5		ADBERO
C[C@H]([NH3+])c1ccc([N+](=O)[O-])s1	83160285	571951828	/nfs/dbraw/zinc/95/18/28/571951828.db2.gz	XOSMIGFJAYIXQK-BYPYZUCNSA-N	1	0	172.209	1.676	10	5		ADBERO
C[N+](C)(C)CCc1ccccn1	13208805	571977658	/nfs/dbraw/zinc/97/76/58/571977658.db2.gz	WSFZJURPOCUILI-UHFFFAOYSA-N	1	0	165.260	1.330	10	5		ADBERO
C[N+](C)(C)CCc1ccccc1O	139876056	571977728	/nfs/dbraw/zinc/97/77/28/571977728.db2.gz	WQDXDHQYGWMGGC-UHFFFAOYSA-O	1	0	180.271	1.641	10	5		ADBERO
C[C@@H]1[NH2+]CCc2cccc([N+](=O)[O-])c21	59896006	571996416	/nfs/dbraw/zinc/99/64/16/571996416.db2.gz	PNTNJYJHAZKNBL-ZETCQYMHSA-N	1	0	192.218	1.802	10	5		ADBERO
C[C@H]1[NH2+]CCc2cccc([N+](=O)[O-])c21	59896005	571996944	/nfs/dbraw/zinc/99/69/44/571996944.db2.gz	PNTNJYJHAZKNBL-SSDOTTSWSA-N	1	0	192.218	1.802	10	5		ADBERO
[NH3+]C/C=C\c1cccc([N+](=O)[O-])c1	4530136	572002417	/nfs/dbraw/zinc/00/24/17/572002417.db2.gz	SVBBYRHKASOCNI-RQOWECAXSA-N	1	0	178.191	1.567	10	5		ADBERO
O=[N+]([O-])c1ccc(C[NH2+]C2CC2)s1	134776717	572015697	/nfs/dbraw/zinc/01/56/97/572015697.db2.gz	QCPQPSYWWBOCJK-UHFFFAOYSA-N	1	0	198.247	1.908	10	5		ADBERO
[NH3+]CCCNc1cccc([N+](=O)[O-])c1	35367401	572021011	/nfs/dbraw/zinc/02/10/11/572021011.db2.gz	PHEVYOJJTVPBBU-UHFFFAOYSA-N	1	0	195.222	1.356	10	5		ADBERO
CCOc1ccc([N+](=O)[O-])cc1C[NH3+]	35414516	572025560	/nfs/dbraw/zinc/02/55/60/572025560.db2.gz	MQYIIDMBKQZVEL-UHFFFAOYSA-N	1	0	196.206	1.452	10	5		ADBERO
[NH3+]CC/C=C/c1ccccc1[N+](=O)[O-]	69050556	572028674	/nfs/dbraw/zinc/02/86/74/572028674.db2.gz	CWSDVESZPHQKRU-ZZXKWVIFSA-N	1	0	192.218	1.957	10	5		ADBERO
C[N+]1(C)CCc2cc(O)ccc2C1	33641898	572028663	/nfs/dbraw/zinc/02/86/63/572028663.db2.gz	XEZYYRQTFMWDIV-UHFFFAOYSA-O	1	0	178.255	1.525	10	5		ADBERO
O=[N+]([O-])c1ccc(C[NH2+]CC2CC2)o1	37187277	572106296	/nfs/dbraw/zinc/10/62/96/572106296.db2.gz	VUUABBFHCHJCLE-UHFFFAOYSA-N	1	0	196.206	1.687	10	5		ADBERO
C[NH2+]CCCc1cccc([N+](=O)[O-])c1	71506737	572142604	/nfs/dbraw/zinc/14/26/04/572142604.db2.gz	QMBDIOJMNILBRP-UHFFFAOYSA-N	1	0	194.234	1.747	10	5		ADBERO
CCC[C@@H]([NH3+])[C@H](CC)[N+](=O)[O-]	238226003	572383915	/nfs/dbraw/zinc/38/39/15/572383915.db2.gz	ZQNIJNMAHULERT-RQJHMYQMSA-N	1	0	160.217	1.169	10	5		ADBERO
CCC[C@@H]([NH3+])[C@@H](CC)[N+](=O)[O-]	238225170	572389242	/nfs/dbraw/zinc/38/92/42/572389242.db2.gz	ZQNIJNMAHULERT-RNFRBKRXSA-N	1	0	160.217	1.169	10	5		ADBERO
CCCOC(=O)C1=CCC[N+](C)(C)C1	238227092	572393990	/nfs/dbraw/zinc/39/39/90/572393990.db2.gz	SBLFBQMHHDAWGF-UHFFFAOYSA-N	1	0	198.286	1.346	10	5		ADBERO
C[C@H]([NH3+])c1ccc([N+](=O)[O-])c(F)c1	83592089	572395154	/nfs/dbraw/zinc/39/51/54/572395154.db2.gz	FXNZZUOSBKMZPL-YFKPBYRVSA-N	1	0	184.170	1.754	10	5		ADBERO
C[C@H]([NH3+])c1ccc(F)cc1[N+](=O)[O-]	83591713	572394852	/nfs/dbraw/zinc/39/48/52/572394852.db2.gz	BAGOOCKJXFEZRA-YFKPBYRVSA-N	1	0	184.170	1.754	10	5		ADBERO
Cc1ccc([N+](=O)[O-])c([C@H](C)[NH3+])c1	83591261	572394922	/nfs/dbraw/zinc/39/49/22/572394922.db2.gz	YGIDXOBZVCTSHF-ZETCQYMHSA-N	1	0	180.207	1.923	10	5		ADBERO
C[C@@H]([NH3+])c1c(F)cccc1[N+](=O)[O-]	83592102	572394964	/nfs/dbraw/zinc/39/49/64/572394964.db2.gz	PPXQYJKAYKRWHJ-RXMQYKEDSA-N	1	0	184.170	1.754	10	5		ADBERO
Cc1ccc([N+](=O)[O-])c([C@@H](C)[NH3+])c1	83591260	572396049	/nfs/dbraw/zinc/39/60/49/572396049.db2.gz	YGIDXOBZVCTSHF-SSDOTTSWSA-N	1	0	180.207	1.923	10	5		ADBERO
Cc1cccc([C@H](C)[NH3+])c1[N+](=O)[O-]	83591257	572396286	/nfs/dbraw/zinc/39/62/86/572396286.db2.gz	NZAMPOWYHNXGOD-ZETCQYMHSA-N	1	0	180.207	1.923	10	5		ADBERO
C[C@@H]([NH3+])c1ccc(F)cc1[N+](=O)[O-]	83591716	572396827	/nfs/dbraw/zinc/39/68/27/572396827.db2.gz	BAGOOCKJXFEZRA-RXMQYKEDSA-N	1	0	184.170	1.754	10	5		ADBERO
C[C@H]([NH3+])/C=C/c1cccc([N+](=O)[O-])c1	83592230	572396902	/nfs/dbraw/zinc/39/69/02/572396902.db2.gz	YJBMQHCSSQSXPC-GJIOHYHPSA-N	1	0	192.218	1.955	10	5		ADBERO
Cc1c([C@H](C)[NH3+])cccc1[N+](=O)[O-]	83591225	572397055	/nfs/dbraw/zinc/39/70/55/572397055.db2.gz	FHMQWVFXCUXEKN-ZETCQYMHSA-N	1	0	180.207	1.923	10	5		ADBERO
C[C@H]([NH3+])c1ccc([N+](=O)[O-])cn1	83591505	572397141	/nfs/dbraw/zinc/39/71/41/572397141.db2.gz	NOZCGCIJCPPPMK-YFKPBYRVSA-N	1	0	167.168	1.010	10	5		ADBERO
C[C@H]([NH3+])c1c(F)cccc1[N+](=O)[O-]	83592100	572397472	/nfs/dbraw/zinc/39/74/72/572397472.db2.gz	PPXQYJKAYKRWHJ-YFKPBYRVSA-N	1	0	184.170	1.754	10	5		ADBERO
C[C@@H]([NH3+])c1ccc([N+](=O)[O-])cn1	83591507	572397743	/nfs/dbraw/zinc/39/77/43/572397743.db2.gz	NOZCGCIJCPPPMK-RXMQYKEDSA-N	1	0	167.168	1.010	10	5		ADBERO
Cc1c([C@@H](C)[NH3+])cccc1[N+](=O)[O-]	83591222	572397785	/nfs/dbraw/zinc/39/77/85/572397785.db2.gz	FHMQWVFXCUXEKN-SSDOTTSWSA-N	1	0	180.207	1.923	10	5		ADBERO
C[C@H]([NH3+])c1cc([N+](=O)[O-])ccc1F	83592921	572397979	/nfs/dbraw/zinc/39/79/79/572397979.db2.gz	FJBXCHOQOVGGFP-YFKPBYRVSA-N	1	0	184.170	1.754	10	5		ADBERO
C[C@H]([NH3+])c1cc(O)cc([N+](=O)[O-])c1	83592998	572400103	/nfs/dbraw/zinc/40/01/03/572400103.db2.gz	VVSCWAZTIUUCIZ-YFKPBYRVSA-N	1	0	182.179	1.320	10	5		ADBERO
C[C@H]([NH3+])c1cc(F)cc([N+](=O)[O-])c1	83593078	572401257	/nfs/dbraw/zinc/40/12/57/572401257.db2.gz	NHAFUFZLISNQJI-YFKPBYRVSA-N	1	0	184.170	1.754	10	5		ADBERO
CCC[C@H]([NH3+])[C@H](CC)[N+](=O)[O-]	238240548	572441126	/nfs/dbraw/zinc/44/11/26/572441126.db2.gz	ZQNIJNMAHULERT-BQBZGAKWSA-N	1	0	160.217	1.169	10	5		ADBERO
CCC[C@H]([NH3+])[C@@H](CC)[N+](=O)[O-]	238239880	572441476	/nfs/dbraw/zinc/44/14/76/572441476.db2.gz	ZQNIJNMAHULERT-NKWVEPMBSA-N	1	0	160.217	1.169	10	5		ADBERO
CCOc1c(C[NH3+])cccc1[N+](=O)[O-]	238255761	572462518	/nfs/dbraw/zinc/46/25/18/572462518.db2.gz	HKNDZLPSZUCOJO-UHFFFAOYSA-N	1	0	196.206	1.452	10	5		ADBERO
Cc1cccc([N+](=O)[O-])c1OCC[NH3+]	135079401	572467475	/nfs/dbraw/zinc/46/74/75/572467475.db2.gz	COYNPHIEHLGYLH-UHFFFAOYSA-N	1	0	196.206	1.241	10	5		ADBERO
CCc1ccc([N+](=O)[O-])c(CC[NH3+])c1	238278302	572510567	/nfs/dbraw/zinc/51/05/67/572510567.db2.gz	LPHUKMKWZONIOJ-UHFFFAOYSA-N	1	0	194.234	1.658	10	5		ADBERO
CCc1ccc([N+](=O)[O-])cc1CC[NH3+]	238278619	572510585	/nfs/dbraw/zinc/51/05/85/572510585.db2.gz	RRGLSBYDHKXCKS-UHFFFAOYSA-N	1	0	194.234	1.658	10	5		ADBERO
CCc1c(CC[NH3+])cccc1[N+](=O)[O-]	238293356	572533314	/nfs/dbraw/zinc/53/33/14/572533314.db2.gz	BQFUIBUCJISHLR-UHFFFAOYSA-N	1	0	194.234	1.658	10	5		ADBERO
CCc1cccc(CC[NH3+])c1[N+](=O)[O-]	238299319	572542687	/nfs/dbraw/zinc/54/26/87/572542687.db2.gz	ZMTIXKFFNUSSHM-UHFFFAOYSA-N	1	0	194.234	1.658	10	5		ADBERO
CCc1cccc([N+](=O)[O-])c1CC[NH3+]	238301243	572544136	/nfs/dbraw/zinc/54/41/36/572544136.db2.gz	MDOGOEIMKXFBBE-UHFFFAOYSA-N	1	0	194.234	1.658	10	5		ADBERO
C[C@H](C[N+](=O)[O-])[NH2+]C1CCCC1	308060320	572547347	/nfs/dbraw/zinc/54/73/47/572547347.db2.gz	WCOSSNSYXHJMSM-SSDOTTSWSA-N	1	0	172.228	1.184	10	5		ADBERO
C[C@@H](C[N+](=O)[O-])[NH2+]C1CCCC1	308060324	572549100	/nfs/dbraw/zinc/54/91/00/572549100.db2.gz	WCOSSNSYXHJMSM-ZETCQYMHSA-N	1	0	172.228	1.184	10	5		ADBERO
Cc1ccc([N+](=O)[O-])c(OCC[NH3+])c1	38080729	572553972	/nfs/dbraw/zinc/55/39/72/572553972.db2.gz	NVOFVIKJPLYLSI-UHFFFAOYSA-N	1	0	196.206	1.241	10	5		ADBERO
Cc1cc(OCC[NH3+])ccc1[N+](=O)[O-]	38080877	572554962	/nfs/dbraw/zinc/55/49/62/572554962.db2.gz	ZNBFLBFQDJKOOO-UHFFFAOYSA-N	1	0	196.206	1.241	10	5		ADBERO
C1CCC[N+]2(CC1)CCC2	584906063	572571175	/nfs/dbraw/zinc/57/11/75/572571175.db2.gz	PFKCJYCLZIALEJ-UHFFFAOYSA-N	1	0	140.250	1.781	10	5		ADBERO
CC(C)[C@H](C)[N@H+](C)CC[N+](=O)[O-]	308069258	572577978	/nfs/dbraw/zinc/57/79/78/572577978.db2.gz	ARCRFKXAQJCUCQ-QMMMGPOBSA-N	1	0	174.244	1.239	10	5		ADBERO
CC(C)[C@@H](C)[N@H+](C)CC[N+](=O)[O-]	308069251	572579810	/nfs/dbraw/zinc/57/98/10/572579810.db2.gz	ARCRFKXAQJCUCQ-MRVPVSSYSA-N	1	0	174.244	1.239	10	5		ADBERO
CCc1ccc(CC[NH3+])c([N+](=O)[O-])c1	238361211	572614501	/nfs/dbraw/zinc/61/45/01/572614501.db2.gz	VNLNFKZXMNQTOD-UHFFFAOYSA-N	1	0	194.234	1.658	10	5		ADBERO
C[C@@H](C[NH3+])Oc1ccc([N+](=O)[O-])cc1	126199668	572624035	/nfs/dbraw/zinc/62/40/35/572624035.db2.gz	NNVDEAPBLALKNE-ZETCQYMHSA-N	1	0	196.206	1.321	10	5		ADBERO
C[C@H](C[NH3+])Oc1ccc([N+](=O)[O-])cc1	126199902	572624219	/nfs/dbraw/zinc/62/42/19/572624219.db2.gz	NNVDEAPBLALKNE-SSDOTTSWSA-N	1	0	196.206	1.321	10	5		ADBERO
COc1cccc([N+](=O)[O-])c1CC[NH3+]	238377206	572639507	/nfs/dbraw/zinc/63/95/07/572639507.db2.gz	BZCYEOJLJJZVSL-UHFFFAOYSA-N	1	0	196.206	1.105	10	5		ADBERO
Cc1cccc(C[NH3+])c1[N+](=O)[O-]	83339818	572669080	/nfs/dbraw/zinc/66/90/80/572669080.db2.gz	YGCAMKBRKQURNO-UHFFFAOYSA-N	1	0	166.180	1.362	10	5		ADBERO
[NH3+]Cc1ccc(/C=C\[N+](=O)[O-])cc1	308106228	572734089	/nfs/dbraw/zinc/73/40/89/572734089.db2.gz	OEMQGJNOAPBAOS-WAYWQWQTSA-N	1	0	178.191	1.393	10	5		ADBERO
CC[C@@H](C)[NH2+][C@H](C)C[N+](=O)[O-]	307902919	572746377	/nfs/dbraw/zinc/74/63/77/572746377.db2.gz	OZHRDAGGJPFCIE-RNFRBKRXSA-N	1	0	160.217	1.040	10	5		ADBERO
CC[C@@H](C)[NH2+][C@@H](C)C[N+](=O)[O-]	307902920	572746491	/nfs/dbraw/zinc/74/64/91/572746491.db2.gz	OZHRDAGGJPFCIE-RQJHMYQMSA-N	1	0	160.217	1.040	10	5		ADBERO
CC[C@H](C)[NH2+][C@@H](C)C[N+](=O)[O-]	307902917	572746814	/nfs/dbraw/zinc/74/68/14/572746814.db2.gz	OZHRDAGGJPFCIE-BQBZGAKWSA-N	1	0	160.217	1.040	10	5		ADBERO
CC[C@H](C)[NH2+][C@H](C)C[N+](=O)[O-]	307902918	572746820	/nfs/dbraw/zinc/74/68/20/572746820.db2.gz	OZHRDAGGJPFCIE-NKWVEPMBSA-N	1	0	160.217	1.040	10	5		ADBERO
[NH3+]C/C=C\c1ccc([N+](=O)[O-])s1	307931199	572773288	/nfs/dbraw/zinc/77/32/88/572773288.db2.gz	CVDSDKYNXJHBPO-UPHRSURJSA-N	1	0	184.220	1.628	10	5		ADBERO
C[C@H]([NH3+])Cc1ccc(F)c([N+](=O)[O-])c1	71424356	572778414	/nfs/dbraw/zinc/77/84/14/572778414.db2.gz	QPOSHJDPZABZHA-LURJTMIESA-N	1	0	198.197	1.624	10	5		ADBERO
O=[N+]([O-])c1cccc2c1C[NH2+]CCN2	117918536	572798219	/nfs/dbraw/zinc/79/82/19/572798219.db2.gz	GAJMJPHXVMNRDW-UHFFFAOYSA-N	1	0	193.206	1.110	10	5		ADBERO
Cc1cc(CC[NH3+])cc(C)c1[N+](=O)[O-]	214769756	572798584	/nfs/dbraw/zinc/79/85/84/572798584.db2.gz	LXMRJFIFSSHWKH-UHFFFAOYSA-N	1	0	194.234	1.713	10	5		ADBERO
C=Cc1cc(CC[NH3+])ccc1[N+](=O)[O-]	238573010	572824367	/nfs/dbraw/zinc/82/43/67/572824367.db2.gz	DBDSNCXRCCWZQM-UHFFFAOYSA-N	1	0	192.218	1.739	10	5		ADBERO
C=Cc1cccc(CC[NH3+])c1[N+](=O)[O-]	238574175	572825782	/nfs/dbraw/zinc/82/57/82/572825782.db2.gz	GFOILNIXGHTYSD-UHFFFAOYSA-N	1	0	192.218	1.739	10	5		ADBERO
C=Cc1c(CC[NH3+])cccc1[N+](=O)[O-]	238574697	572826517	/nfs/dbraw/zinc/82/65/17/572826517.db2.gz	UGMMKLFSBJCPSW-UHFFFAOYSA-N	1	0	192.218	1.739	10	5		ADBERO
C=Cc1ccc(CC[NH3+])cc1[N+](=O)[O-]	238571921	572827654	/nfs/dbraw/zinc/82/76/54/572827654.db2.gz	ANBHFLADSFLXHM-UHFFFAOYSA-N	1	0	192.218	1.739	10	5		ADBERO
C=Cc1cc(CC[NH3+])cc([N+](=O)[O-])c1	238569004	572828181	/nfs/dbraw/zinc/82/81/81/572828181.db2.gz	OUNHVOLGTSHHAX-UHFFFAOYSA-N	1	0	192.218	1.739	10	5		ADBERO
C=Cc1ccc([N+](=O)[O-])c(CC[NH3+])c1	238569090	572828898	/nfs/dbraw/zinc/82/88/98/572828898.db2.gz	NKXFYYLOKLQKMM-UHFFFAOYSA-N	1	0	192.218	1.739	10	5		ADBERO
C=Cc1cccc([N+](=O)[O-])c1CC[NH3+]	238566256	572829717	/nfs/dbraw/zinc/82/97/17/572829717.db2.gz	USBNFUOFSWMQID-UHFFFAOYSA-N	1	0	192.218	1.739	10	5		ADBERO
C=Cc1ccc([N+](=O)[O-])cc1CC[NH3+]	238570593	572829821	/nfs/dbraw/zinc/82/98/21/572829821.db2.gz	GNMXKRPUCAEBOQ-UHFFFAOYSA-N	1	0	192.218	1.739	10	5		ADBERO
C=Cc1ccc(CC[NH3+])c([N+](=O)[O-])c1	238572013	572830251	/nfs/dbraw/zinc/83/02/51/572830251.db2.gz	XTRUIWACNDFXNL-UHFFFAOYSA-N	1	0	192.218	1.739	10	5		ADBERO
[NH3+]CCCCc1cccc([N+](=O)[O-])c1	71506738	572840449	/nfs/dbraw/zinc/84/04/49/572840449.db2.gz	LYNZZPZHNIKBTN-UHFFFAOYSA-N	1	0	194.234	1.876	10	5		ADBERO
[NH3+]CCC(=O)c1ccc([N+](=O)[O-])cc1	75484334	572848959	/nfs/dbraw/zinc/84/89/59/572848959.db2.gz	QYADIMIFBDWPRN-UHFFFAOYSA-N	1	0	194.190	1.126	10	5		ADBERO
[NH3+]CCC(=O)c1cccc([N+](=O)[O-])c1	75484336	572849623	/nfs/dbraw/zinc/84/96/23/572849623.db2.gz	GTWCXCGQKJSZBY-UHFFFAOYSA-N	1	0	194.190	1.126	10	5		ADBERO
N=C(C[NH3+])Cc1ccc([N+](=O)[O-])cc1	238600675	572861760	/nfs/dbraw/zinc/86/17/60/572861760.db2.gz	VALAZGNGZAECEZ-UHFFFAOYSA-N	1	0	193.206	1.116	10	5		ADBERO
C[NH2+]C/C(C)=C/c1ccc([N+](=O)[O-])o1	86228556	572895250	/nfs/dbraw/zinc/89/52/50/572895250.db2.gz	RMTVIMZESNUXOP-FNORWQNLSA-N	1	0	196.206	1.811	10	5		ADBERO
NC(=[NH2+])Cc1ccc([N+](=O)[O-])cc1F	75932131	572916778	/nfs/dbraw/zinc/91/67/78/572916778.db2.gz	IUTGBCINCWCXIF-UHFFFAOYSA-N	1	0	197.169	1.212	10	5		ADBERO
C[C@H](C[NH3+])c1cccc([N+](=O)[O-])c1	83964207	572918187	/nfs/dbraw/zinc/91/81/87/572918187.db2.gz	UTHKVMHBSSKKHR-SSDOTTSWSA-N	1	0	180.207	1.657	10	5		ADBERO
C[C@@H](C[NH3+])c1cccc([N+](=O)[O-])c1	83964206	572918460	/nfs/dbraw/zinc/91/84/60/572918460.db2.gz	UTHKVMHBSSKKHR-ZETCQYMHSA-N	1	0	180.207	1.657	10	5		ADBERO
C[N+](C)(C)c1ccc(O)c(C=O)c1	141155205	572927784	/nfs/dbraw/zinc/92/77/84/572927784.db2.gz	XBNQNGKEGAFEPG-UHFFFAOYSA-O	1	0	180.227	1.401	10	5		ADBERO
CC(=O)SCC[N+]1(C)CCCC1	308207346	572944440	/nfs/dbraw/zinc/94/44/40/572944440.db2.gz	ZZQDACMDFFQFCV-UHFFFAOYSA-N	1	0	188.316	1.507	10	5		ADBERO
C[C@@H]1Cc2ccc([N+](=O)[O-])cc2C[NH2+]1	13687080	572951887	/nfs/dbraw/zinc/95/18/87/572951887.db2.gz	OTVSEAHLIUCIKT-SSDOTTSWSA-N	1	0	192.218	1.629	10	5	in-vivo	ADBERO
C[C@H]1Cc2ccc([N+](=O)[O-])cc2C[NH2+]1	13687084	572952730	/nfs/dbraw/zinc/95/27/30/572952730.db2.gz	OTVSEAHLIUCIKT-ZETCQYMHSA-N	1	0	192.218	1.629	10	5	in-vivo	ADBERO
C[C@@H]([NH3+])c1cc([N+](=O)[O-])ccc1N	104576349	573026626	/nfs/dbraw/zinc/02/66/26/573026626.db2.gz	QVGKAOYBVIOCLU-RXMQYKEDSA-N	1	0	181.195	1.197	10	5		ADBERO
C[N+](C)(C)CCOBr	85471694	573036155	/nfs/dbraw/zinc/03/61/55/573036155.db2.gz	KYXKWUNMQHUBPW-UHFFFAOYSA-N	1	0	183.069	1.019	10	5		ADBERO
COCC[N+](C)(C)C1CCCC1	308247993	573044245	/nfs/dbraw/zinc/04/42/45/573044245.db2.gz	YOTMCDJLILUUCJ-UHFFFAOYSA-N	1	0	172.292	1.652	10	5		ADBERO
C[C@H](CC1CC[NH2+]CC1)[N+](=O)[O-]	257934535	573046303	/nfs/dbraw/zinc/04/63/03/573046303.db2.gz	UBDOOAOVKMIBGB-SSDOTTSWSA-N	1	0	172.228	1.041	10	5		ADBERO
C[C@@H](CC1CC[NH2+]CC1)[N+](=O)[O-]	257934536	573047201	/nfs/dbraw/zinc/04/72/01/573047201.db2.gz	UBDOOAOVKMIBGB-ZETCQYMHSA-N	1	0	172.228	1.041	10	5		ADBERO
CC[C@@H]([NH3+])c1cc([N+](=O)[O-])ccn1	238275109	573093203	/nfs/dbraw/zinc/09/32/03/573093203.db2.gz	YATJKKXRGMYHRF-SSDOTTSWSA-N	1	0	181.195	1.400	10	5		ADBERO
CCC[NH2+]Cc1ccncc1[N+](=O)[O-]	308501582	573097017	/nfs/dbraw/zinc/09/70/17/573097017.db2.gz	GVXJHJQUGNQNST-UHFFFAOYSA-N	1	0	195.222	1.489	10	5		ADBERO
CC[C@@H]([NH3+])c1ccc(N)cc1[N+](=O)[O-]	238280346	573107150	/nfs/dbraw/zinc/10/71/50/573107150.db2.gz	LCTTWMXFAKDIJW-MRVPVSSYSA-N	1	0	195.222	1.587	10	5		ADBERO
CC[C@@H]([NH3+])c1cnc(C)c([N+](=O)[O-])c1	238285204	573111996	/nfs/dbraw/zinc/11/19/96/573111996.db2.gz	OSMUDIQTUVOTEJ-MRVPVSSYSA-N	1	0	195.222	1.708	10	5		ADBERO
CCOc1cc(C[NH3+])ccc1[N+](=O)[O-]	50516052	573163234	/nfs/dbraw/zinc/16/32/34/573163234.db2.gz	KJCFSDQSIMQRTI-UHFFFAOYSA-N	1	0	196.206	1.452	10	5		ADBERO
C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1	50516847	573163443	/nfs/dbraw/zinc/16/34/43/573163443.db2.gz	RSKJAAWNULRSLF-UHFFFAOYSA-N	1	0	196.206	1.323	10	5		ADBERO
C[C@@H](F)OCC[N+](C)(C)C	115341356	573178806	/nfs/dbraw/zinc/17/88/06/573178806.db2.gz	BAZSDADOYJFFNO-ZETCQYMHSA-N	1	0	150.217	1.025	10	5		ADBERO
C[C@H](F)OCC[N+](C)(C)C	115341358	573180393	/nfs/dbraw/zinc/18/03/93/573180393.db2.gz	BAZSDADOYJFFNO-SSDOTTSWSA-N	1	0	150.217	1.025	10	5		ADBERO
C[NH2+]CCc1ccc([N+](=O)[O-])cc1F	308514882	573189791	/nfs/dbraw/zinc/18/97/91/573189791.db2.gz	UQOVVGJCVVSCHE-UHFFFAOYSA-N	1	0	198.197	1.496	10	5		ADBERO
CC[C@H]([NH3+])c1cc([N+](=O)[O-])cnc1C	238313285	573209923	/nfs/dbraw/zinc/20/99/23/573209923.db2.gz	BNYGLOSJMBUJNP-VIFPVBQESA-N	1	0	195.222	1.708	10	5		ADBERO
CC[C@H]([NH3+])c1ccc(O)cc1[N+](=O)[O-]	238317006	573249080	/nfs/dbraw/zinc/24/90/80/573249080.db2.gz	SSPAAEGMAFWVIV-QMMMGPOBSA-N	1	0	196.206	1.710	10	5		ADBERO
C[NH2+][C@@H](C)c1cc(N)cc([N+](=O)[O-])c1	238327766	573266173	/nfs/dbraw/zinc/26/61/73/573266173.db2.gz	XHVASVOEBAGEOM-LURJTMIESA-N	1	0	195.222	1.457	10	5		ADBERO
C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccn1	238327587	573266326	/nfs/dbraw/zinc/26/63/26/573266326.db2.gz	PAAKNHIKYFWYTA-LURJTMIESA-N	1	0	181.195	1.270	10	5		ADBERO
C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccn1	238332381	573282336	/nfs/dbraw/zinc/28/23/36/573282336.db2.gz	PAAKNHIKYFWYTA-ZCFIWIBFSA-N	1	0	181.195	1.270	10	5		ADBERO
C[NH2+][C@H](C)c1cc([N+](=O)[O-])cnc1C	238332388	573282364	/nfs/dbraw/zinc/28/23/64/573282364.db2.gz	IPFTYZQCRKBAJD-ZCFIWIBFSA-N	1	0	195.222	1.579	10	5		ADBERO
C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cn1	238334541	573286019	/nfs/dbraw/zinc/28/60/19/573286019.db2.gz	KMOXABMXEBJUKC-ZCFIWIBFSA-N	1	0	181.195	1.270	10	5		ADBERO
C[NH2+][C@@H](C)c1ncc(C)cc1[N+](=O)[O-]	238336566	573300229	/nfs/dbraw/zinc/30/02/29/573300229.db2.gz	GEXDRPAXQCGDGO-ZETCQYMHSA-N	1	0	195.222	1.579	10	5		ADBERO
C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1N	238336546	573300788	/nfs/dbraw/zinc/30/07/88/573300788.db2.gz	MDPCVFKTALDDSJ-ZCFIWIBFSA-N	1	0	195.222	1.457	10	5		ADBERO
[NH3+]C/C=C/c1ccc([N+](=O)[O-])s1	236183860	573353750	/nfs/dbraw/zinc/35/37/50/573353750.db2.gz	CVDSDKYNXJHBPO-OWOJBTEDSA-N	1	0	184.220	1.628	10	5		ADBERO
CC[N@H+](C)Cc1ccc([N+](=O)[O-])o1	308367673	573364823	/nfs/dbraw/zinc/36/48/23/573364823.db2.gz	OTMCGJUUGVMXFN-UHFFFAOYSA-N	1	0	184.195	1.640	10	5		ADBERO
COc1cccc([N+](=O)[O-])c1[C@H](C)[NH3+]	238377409	573387823	/nfs/dbraw/zinc/38/78/23/573387823.db2.gz	MAMHNAWSIMVDKW-LURJTMIESA-N	1	0	196.206	1.623	10	5		ADBERO
[NH3+]C[C@H]1C[C@@H]1c1ccc([N+](=O)[O-])s1	236210808	573408890	/nfs/dbraw/zinc/40/88/90/573408890.db2.gz	PVLRGKAEGOHSGB-RITPCOANSA-N	1	0	198.247	1.719	10	5		ADBERO
[NH3+]CCSc1cccc([N+](=O)[O-])c1	313513879	573422929	/nfs/dbraw/zinc/42/29/29/573422929.db2.gz	FVJTZHUFEZKGIM-UHFFFAOYSA-N	1	0	198.247	1.646	10	5		ADBERO
C[C@@H]1[NH2+]Cc2ccc([N+](=O)[O-])cc21	238396236	573437605	/nfs/dbraw/zinc/43/76/05/573437605.db2.gz	WNNTVVVWZCZTBO-LURJTMIESA-N	1	0	178.191	1.759	10	5		ADBERO
C[C@@H]1[NH2+]Cc2cccc([N+](=O)[O-])c21	238396459	573437934	/nfs/dbraw/zinc/43/79/34/573437934.db2.gz	VVCCMMHPGAEERU-LURJTMIESA-N	1	0	178.191	1.759	10	5		ADBERO
C[C@@H]1[NH2+]Cc2cc([N+](=O)[O-])ccc21	238396039	573438686	/nfs/dbraw/zinc/43/86/86/573438686.db2.gz	ZAFDWXBWXZUYQH-LURJTMIESA-N	1	0	178.191	1.759	10	5		ADBERO
C[C@H]([NH3+])c1cc(N)ccc1[N+](=O)[O-]	238422695	573511665	/nfs/dbraw/zinc/51/16/65/573511665.db2.gz	RWFJRDVVGNRNIH-YFKPBYRVSA-N	1	0	181.195	1.197	10	5		ADBERO
Cc1ncc([N+](=O)[O-])cc1[C@@H](C)[NH3+]	238424406	573517250	/nfs/dbraw/zinc/51/72/50/573517250.db2.gz	RLNKLNLDCZKPFN-RXMQYKEDSA-N	1	0	181.195	1.318	10	5		ADBERO
C[C@H](C[C@@H]1CCC[NH2+]C1)[N+](=O)[O-]	257827496	573527971	/nfs/dbraw/zinc/52/79/71/573527971.db2.gz	HXRSGJHRQRAMED-SFYZADRCSA-N	1	0	172.228	1.041	10	5		ADBERO
C[C@@H]([NH3+])Cc1c(F)cccc1[N+](=O)[O-]	238427659	573529138	/nfs/dbraw/zinc/52/91/38/573529138.db2.gz	OHBDHLNHDZFHNE-ZCFIWIBFSA-N	1	0	198.197	1.624	10	5		ADBERO
C[C@@H](C[C@H]1CCC[NH2+]C1)[N+](=O)[O-]	257827495	573529434	/nfs/dbraw/zinc/52/94/34/573529434.db2.gz	HXRSGJHRQRAMED-JGVFFNPUSA-N	1	0	172.228	1.041	10	5		ADBERO
C[C@@H](C[C@@H]1CCC[NH2+]C1)[N+](=O)[O-]	257827497	573529581	/nfs/dbraw/zinc/52/95/81/573529581.db2.gz	HXRSGJHRQRAMED-YUMQZZPRSA-N	1	0	172.228	1.041	10	5		ADBERO
C[C@H]([NH3+])Cc1cc([N+](=O)[O-])ccc1N	238429997	573530325	/nfs/dbraw/zinc/53/03/25/573530325.db2.gz	FOTJWHYLBCBSEU-LURJTMIESA-N	1	0	195.222	1.067	10	5		ADBERO
C[C@@H]([NH3+])Cc1cc([N+](=O)[O-])ccc1N	238430388	573533653	/nfs/dbraw/zinc/53/36/53/573533653.db2.gz	FOTJWHYLBCBSEU-ZCFIWIBFSA-N	1	0	195.222	1.067	10	5		ADBERO
C[C@H]([NH3+])Cc1cc([N+](=O)[O-])ccc1F	238429955	573533753	/nfs/dbraw/zinc/53/37/53/573533753.db2.gz	OTDLGGSKAGOLCO-LURJTMIESA-N	1	0	198.197	1.624	10	5		ADBERO
COc1c([C@H](C)[NH3+])cccc1[N+](=O)[O-]	224252856	573539167	/nfs/dbraw/zinc/53/91/67/573539167.db2.gz	PWTRKMKDIUTARF-LURJTMIESA-N	1	0	196.206	1.623	10	5		ADBERO
Cc1ncc([C@H](C)[NH3+])cc1[N+](=O)[O-]	238434942	573543087	/nfs/dbraw/zinc/54/30/87/573543087.db2.gz	ONQLHYZORFMLLI-YFKPBYRVSA-N	1	0	181.195	1.318	10	5		ADBERO
Cc1ncc(C[C@@H](C)[NH3+])cc1[N+](=O)[O-]	238435884	573548987	/nfs/dbraw/zinc/54/89/87/573548987.db2.gz	VHEFYHKCDHOLJM-ZCFIWIBFSA-N	1	0	195.222	1.188	10	5		ADBERO
C[C@H](C[C@H]1CCC[N@@H+]1C)[N+](=O)[O-]	257831148	573564305	/nfs/dbraw/zinc/56/43/05/573564305.db2.gz	JNTXQPSUGGOYQT-HTQZYQBOSA-N	1	0	172.228	1.136	10	5		ADBERO
C[C@H](C[C@@H]1CCC[N@@H+]1C)[N+](=O)[O-]	257831151	573564715	/nfs/dbraw/zinc/56/47/15/573564715.db2.gz	JNTXQPSUGGOYQT-SFYZADRCSA-N	1	0	172.228	1.136	10	5		ADBERO
C[C@@H](C[C@H]1CCC[N@@H+]1C)[N+](=O)[O-]	257831150	573566924	/nfs/dbraw/zinc/56/69/24/573566924.db2.gz	JNTXQPSUGGOYQT-JGVFFNPUSA-N	1	0	172.228	1.136	10	5		ADBERO
[NH3+]C1(Cc2cccc([N+](=O)[O-])c2)CC1	78676271	573582295	/nfs/dbraw/zinc/58/22/95/573582295.db2.gz	BDVHHYQODSIJEU-UHFFFAOYSA-N	1	0	192.218	1.629	10	5		ADBERO
[NH3+]C1(Cc2ccc([N+](=O)[O-])cc2)CC1	78676275	573583548	/nfs/dbraw/zinc/58/35/48/573583548.db2.gz	CKZSNJWXZFPYGY-UHFFFAOYSA-N	1	0	192.218	1.629	10	5		ADBERO
C[C@H](CC1CC[NH+](C)CC1)[N+](=O)[O-]	257837070	573609659	/nfs/dbraw/zinc/60/96/59/573609659.db2.gz	LGMNCBULTRQOFY-MRVPVSSYSA-N	1	0	186.255	1.384	10	5		ADBERO
Cc1ccc(CC[NH3+])c([N+](=O)[O-])c1	238467047	573669771	/nfs/dbraw/zinc/66/97/71/573669771.db2.gz	VFMWXTIQQGTKEG-UHFFFAOYSA-N	1	0	180.207	1.404	10	5		ADBERO
C[C@@H]1Cc2c(cccc2[N+](=O)[O-])C[NH2+]1	238468648	573675003	/nfs/dbraw/zinc/67/50/03/573675003.db2.gz	OOXGOXNTZXFWQQ-SSDOTTSWSA-N	1	0	192.218	1.629	10	5		ADBERO
C[N+](C)(C)[C@@H](CO)C1CCCC1	238485479	573688210	/nfs/dbraw/zinc/68/82/10/573688210.db2.gz	BCDDNFVQNJLGMT-JTQLQIEISA-N	1	0	172.292	1.244	10	5		ADBERO
Cc1ccc(C2C[NH2+]C2)c([N+](=O)[O-])c1	238479349	573689544	/nfs/dbraw/zinc/68/95/44/573689544.db2.gz	HZXXJGXLIXAVHF-UHFFFAOYSA-N	1	0	192.218	1.590	10	5		ADBERO
Cc1ccc(C2C[NH2+]C2)cc1[N+](=O)[O-]	238479624	573688625	/nfs/dbraw/zinc/68/86/25/573688625.db2.gz	SKHDVKUZICMAAG-UHFFFAOYSA-N	1	0	192.218	1.590	10	5		ADBERO
C[C@H]([NH3+])/C=C\c1ccccc1[N+](=O)[O-]	308416810	573689021	/nfs/dbraw/zinc/68/90/21/573689021.db2.gz	OVLJLDCGMKQACD-UAPHAKCISA-N	1	0	192.218	1.955	10	5		ADBERO
C[C@@H]([NH3+])/C=C\c1ccccc1[N+](=O)[O-]	308416807	573689860	/nfs/dbraw/zinc/68/98/60/573689860.db2.gz	OVLJLDCGMKQACD-NFXKFNAJSA-N	1	0	192.218	1.955	10	5		ADBERO
C[C@]1(C[N+](C)(C)C)CCC[C@@H]1O	238482084	573699586	/nfs/dbraw/zinc/69/95/86/573699586.db2.gz	DVYFQPASBBKJSJ-VHSXEESVSA-N	1	0	172.292	1.244	10	5		ADBERO
C[C@]1(C[N+](C)(C)C)CCC[C@H]1O	238482100	573699841	/nfs/dbraw/zinc/69/98/41/573699841.db2.gz	DVYFQPASBBKJSJ-NXEZZACHSA-N	1	0	172.292	1.244	10	5		ADBERO
C[C@H]1Cc2cccc([N+](=O)[O-])c2C[NH2+]1	238484126	573704699	/nfs/dbraw/zinc/70/46/99/573704699.db2.gz	SNGKIKDSGAHNEY-ZETCQYMHSA-N	1	0	192.218	1.629	10	5		ADBERO
Cc1ccc2c(c1[N+](=O)[O-])[C@@H]([NH3+])CC2	238493415	573715644	/nfs/dbraw/zinc/71/56/44/573715644.db2.gz	XTFYBDVQFRNKRW-QMMMGPOBSA-N	1	0	192.218	1.849	10	5		ADBERO
Cc1ccc([N+](C)(C)CCO)cc1	238494255	573718152	/nfs/dbraw/zinc/71/81/52/573718152.db2.gz	GXHMAHCPRNTNST-UHFFFAOYSA-N	1	0	180.271	1.554	10	5		ADBERO
C[N+](C)(C)[C@H](CO)C1CCCC1	238485829	573726360	/nfs/dbraw/zinc/72/63/60/573726360.db2.gz	BCDDNFVQNJLGMT-SNVBAGLBSA-N	1	0	172.292	1.244	10	5		ADBERO
Cc1cc2c(cc1[N+](=O)[O-])CC[C@@H]2[NH3+]	238488473	573729389	/nfs/dbraw/zinc/72/93/89/573729389.db2.gz	VTKHQXCAEUOYBI-VIFPVBQESA-N	1	0	192.218	1.849	10	5		ADBERO
Cc1cc2c(cc1[N+](=O)[O-])OC[C@@H]2[NH3+]	238488625	573730117	/nfs/dbraw/zinc/73/01/17/573730117.db2.gz	NDCWCESHIOOKFQ-ZETCQYMHSA-N	1	0	194.190	1.295	10	5		ADBERO
Cc1cc2c(cc1[N+](=O)[O-])CC[C@H]2[NH3+]	238489649	573733019	/nfs/dbraw/zinc/73/30/19/573733019.db2.gz	VTKHQXCAEUOYBI-SECBINFHSA-N	1	0	192.218	1.849	10	5		ADBERO
C[N+]1(C)Cc2ccccc2[C@@H]1O	238489407	573733532	/nfs/dbraw/zinc/73/35/32/573733532.db2.gz	CYMAWIVLJCYEBI-JTQLQIEISA-N	1	0	164.228	1.268	10	5		ADBERO
Cc1ccc2c(c1[N+](=O)[O-])[C@H]([NH3+])CO2	238501253	573743738	/nfs/dbraw/zinc/74/37/38/573743738.db2.gz	JKUDJSOWJGXURW-ZCFIWIBFSA-N	1	0	194.190	1.295	10	5		ADBERO
Cc1ccc([N+](=O)[O-])c(CC[NH3+])c1	238504828	573753200	/nfs/dbraw/zinc/75/32/00/573753200.db2.gz	KFCIRMUGPXVSJM-UHFFFAOYSA-N	1	0	180.207	1.404	10	5		ADBERO
Cc1ccc([N+](=O)[O-])c2c1[C@@H]([NH3+])CC2	238505684	573758422	/nfs/dbraw/zinc/75/84/22/573758422.db2.gz	KRNIFUWMHURXCZ-QMMMGPOBSA-N	1	0	192.218	1.849	10	5		ADBERO
Cc1cccc([C@@H]2CC[NH2+]2)c1[N+](=O)[O-]	238508211	573764647	/nfs/dbraw/zinc/76/46/47/573764647.db2.gz	VXJXKSXCUDVSHU-VIFPVBQESA-N	1	0	192.218	1.938	10	5		ADBERO
Cc1c([N+](=O)[O-])ccc2c1[C@@H]([NH3+])CC2	238510642	573771979	/nfs/dbraw/zinc/77/19/79/573771979.db2.gz	XLFLACONAUTRKA-QMMMGPOBSA-N	1	0	192.218	1.849	10	5		ADBERO
Cc1c([C@H]2CC[NH2+]2)cccc1[N+](=O)[O-]	238513055	573780611	/nfs/dbraw/zinc/78/06/11/573780611.db2.gz	FPVLKRMALUQHGD-SECBINFHSA-N	1	0	192.218	1.938	10	5		ADBERO
CCC[N@@+]1(C)CCC=C(C(=O)OC)C1	308738159	573782936	/nfs/dbraw/zinc/78/29/36/573782936.db2.gz	PLVPJEPMGRKLHG-LBPRGKRZSA-N	1	0	198.286	1.346	10	5		ADBERO
CCC[N@+]1(C)CCC=C(C(=O)OC)C1	308738158	573785299	/nfs/dbraw/zinc/78/52/99/573785299.db2.gz	PLVPJEPMGRKLHG-GFCCVEGCSA-N	1	0	198.286	1.346	10	5		ADBERO
Cc1cccc([C@H]2CC[NH2+]2)c1[N+](=O)[O-]	238517192	573788348	/nfs/dbraw/zinc/78/83/48/573788348.db2.gz	VXJXKSXCUDVSHU-SECBINFHSA-N	1	0	192.218	1.938	10	5		ADBERO
Cc1ncc([C@@H]2CC[NH2+]2)cc1[N+](=O)[O-]	238517440	573791007	/nfs/dbraw/zinc/79/10/07/573791007.db2.gz	NETLXXAMHHNXRO-QMMMGPOBSA-N	1	0	193.206	1.333	10	5		ADBERO
C[C@@H](C[NH3+])c1cc([N+](=O)[O-])ccc1O	258163051	573853963	/nfs/dbraw/zinc/85/39/63/573853963.db2.gz	VEQLECIKEJDQFR-LURJTMIESA-N	1	0	196.206	1.363	10	5		ADBERO
CC(C)([NH3+])c1ccc(N)c([N+](=O)[O-])c1	238153776	573855841	/nfs/dbraw/zinc/85/58/41/573855841.db2.gz	TVXQIJCUVAPZIN-UHFFFAOYSA-N	1	0	195.222	1.371	10	5		ADBERO
Cc1cccc(C2C[NH2+]C2)c1[N+](=O)[O-]	238547949	573863600	/nfs/dbraw/zinc/86/36/00/573863600.db2.gz	UMCUKDBFWGUAPM-UHFFFAOYSA-N	1	0	192.218	1.590	10	5		ADBERO
C[C@@H]([NH3+])/C=C\c1cccc([N+](=O)[O-])c1	308458750	573870224	/nfs/dbraw/zinc/87/02/24/573870224.db2.gz	YJBMQHCSSQSXPC-RPSMYOMKSA-N	1	0	192.218	1.955	10	5		ADBERO
O=[N+]([O-])c1cc(F)ccc1C1C[NH2+]C1	238556054	573881807	/nfs/dbraw/zinc/88/18/07/573881807.db2.gz	DIAUGKHHKGCWNY-UHFFFAOYSA-N	1	0	196.181	1.421	10	5		ADBERO
[NH3+]C/C=C\c1cc([N+](=O)[O-])ccc1F	308464479	573927334	/nfs/dbraw/zinc/92/73/34/573927334.db2.gz	YSQUNLHOEBHEBH-UPHRSURJSA-N	1	0	196.181	1.706	10	5		ADBERO
C[C@H](C[C@H]1CCC[N@H+](C)C1)[N+](=O)[O-]	257910325	573952789	/nfs/dbraw/zinc/95/27/89/573952789.db2.gz	QGIHNQOBCKLKMP-RKDXNWHRSA-N	1	0	186.255	1.384	10	5		ADBERO
C[C@@H](C[C@H]1CCC[N@H+](C)C1)[N+](=O)[O-]	257910319	573952938	/nfs/dbraw/zinc/95/29/38/573952938.db2.gz	QGIHNQOBCKLKMP-DTWKUNHWSA-N	1	0	186.255	1.384	10	5		ADBERO
C[C@H]([C@H]([NH3+])c1ccccc1)[N+](=O)[O-]	247962390	573964833	/nfs/dbraw/zinc/96/48/33/573964833.db2.gz	FVYYMDJGAAHLPZ-APPZFPTMSA-N	1	0	180.207	1.352	10	5		ADBERO
C[C@@H]([C@@H]([NH3+])c1ccccc1)[N+](=O)[O-]	247962394	573966915	/nfs/dbraw/zinc/96/69/15/573966915.db2.gz	FVYYMDJGAAHLPZ-IONNQARKSA-N	1	0	180.207	1.352	10	5		ADBERO
C[C@H]([C@@H]([NH3+])c1ccccc1)[N+](=O)[O-]	247962395	573966608	/nfs/dbraw/zinc/96/66/08/573966608.db2.gz	FVYYMDJGAAHLPZ-VXNVDRBHSA-N	1	0	180.207	1.352	10	5		ADBERO
C[NH2+]C1(c2ccc([N+](=O)[O-])cc2)CC1	104453261	573982000	/nfs/dbraw/zinc/98/20/00/573982000.db2.gz	IAULAUHGVNAGMB-UHFFFAOYSA-N	1	0	192.218	1.803	10	5		ADBERO
O=[N+]([O-])c1ncccc1[C@@H]1CC[NH2+]1	104450649	573982597	/nfs/dbraw/zinc/98/25/97/573982597.db2.gz	MFLLZVSRMBBQCQ-ZETCQYMHSA-N	1	0	179.179	1.024	10	5		ADBERO
CC[C@H]([NH3+])c1ncc(C)cc1[N+](=O)[O-]	104482348	573999943	/nfs/dbraw/zinc/99/99/43/573999943.db2.gz	NKFXQTDBKYOVJF-ZETCQYMHSA-N	1	0	195.222	1.708	10	5		ADBERO
CC[C@H]([NH3+])c1cc(C)c([N+](=O)[O-])cn1	104482355	574001691	/nfs/dbraw/zinc/00/16/91/574001691.db2.gz	GGHSTEINYVRIGO-ZETCQYMHSA-N	1	0	195.222	1.708	10	5		ADBERO
C=Cc1cc([N+](=O)[O-])ccc1CC[NH3+]	238573056	574003666	/nfs/dbraw/zinc/00/36/66/574003666.db2.gz	SUYNODXOWYIZMD-UHFFFAOYSA-N	1	0	192.218	1.739	10	5		ADBERO
C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-]	84683145	574024192	/nfs/dbraw/zinc/02/41/92/574024192.db2.gz	DLWGMYCDVLVWEG-GQCTYLIASA-N	1	0	192.218	1.827	10	5		ADBERO
CCCCCC[NH2+]CC[N+](=O)[O-]	899855065	582563982	/nfs/dbraw/zinc/56/39/82/582563982.db2.gz	BAANPTVYKDWURJ-UHFFFAOYSA-N	1	0	174.244	1.433	10	5		ADBERO
CC[C@@H](C)CC[NH2+]CC[N+](=O)[O-]	899890751	582564277	/nfs/dbraw/zinc/56/42/77/582564277.db2.gz	HYUXTOGHJUUHQH-MRVPVSSYSA-N	1	0	174.244	1.289	10	5		ADBERO
CC(C)(C)CC[NH2+]CC[N+](=O)[O-]	899869171	582564639	/nfs/dbraw/zinc/56/46/39/582564639.db2.gz	BLBRIHBDBOITEE-UHFFFAOYSA-N	1	0	174.244	1.289	10	5		ADBERO
CC[C@H](C)CC[NH2+]CC[N+](=O)[O-]	899890752	582564929	/nfs/dbraw/zinc/56/49/29/582564929.db2.gz	HYUXTOGHJUUHQH-QMMMGPOBSA-N	1	0	174.244	1.289	10	5		ADBERO
C[C@H]([NH2+]CC[N+](=O)[O-])C1CCC1	905185420	582643933	/nfs/dbraw/zinc/64/39/33/582643933.db2.gz	AZPVWVVVYQTVEG-ZETCQYMHSA-N	1	0	172.228	1.041	10	5		ADBERO
CCC[C@H](CC)[NH2+]CC[N+](=O)[O-]	905069712	582642283	/nfs/dbraw/zinc/64/22/83/582642283.db2.gz	GHNYVSRKAOAXHT-QMMMGPOBSA-N	1	0	174.244	1.431	10	5		ADBERO
CCC[C@@H](CC)[NH2+]CC[N+](=O)[O-]	905069706	582642317	/nfs/dbraw/zinc/64/23/17/582642317.db2.gz	GHNYVSRKAOAXHT-MRVPVSSYSA-N	1	0	174.244	1.431	10	5		ADBERO
CC(C)C[C@H](C)[NH2+]CC[N+](=O)[O-]	905179016	582643863	/nfs/dbraw/zinc/64/38/63/582643863.db2.gz	GCYJIJWJNDXLHC-QMMMGPOBSA-N	1	0	174.244	1.287	10	5		ADBERO
C[C@@H]([NH2+]CC[N+](=O)[O-])C1CCC1	905185417	582643870	/nfs/dbraw/zinc/64/38/70/582643870.db2.gz	AZPVWVVVYQTVEG-SSDOTTSWSA-N	1	0	172.228	1.041	10	5		ADBERO
CC(C)C[C@@H](C)[NH2+]CC[N+](=O)[O-]	905179015	582643940	/nfs/dbraw/zinc/64/39/40/582643940.db2.gz	GCYJIJWJNDXLHC-MRVPVSSYSA-N	1	0	174.244	1.287	10	5		ADBERO
CC1(CC[NH2+]CC[N+](=O)[O-])CC1	905241332	582645903	/nfs/dbraw/zinc/64/59/03/582645903.db2.gz	DFHQYZHSSAOSGS-UHFFFAOYSA-N	1	0	172.228	1.043	10	5		ADBERO
C[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1	6036824	1188766565	/nfs/dbraw/zinc/76/65/65/1188766565.db2.gz	FMYSLOHXMJLTRT-MRVPVSSYSA-N	1	0	194.234	1.745	10	5		ADBERO
O=[N+]([O-])CC[NH+]1C2CCCC1CCC2	929717443	698180339	/nfs/dbraw/zinc/18/03/39/698180339.db2.gz	GSDNHGKUGRLQSL-UHFFFAOYSA-N	1	0	198.266	1.670	10	5		ADBERO
C[C@@H]1CC[C@H](C[N+](C)(C)C)[C@H]1O	6031002	343011561	/nfs/dbraw/zinc/01/15/61/343011561.db2.gz	GYLNYMAKTYJKEZ-BBBLOLIVSA-N	1	0	172.292	1.100	10	5		ADBERO
C[C@H]([NH3+])C(=O)c1cccc([N+](=O)[O-])c1	38136783	343185702	/nfs/dbraw/zinc/18/57/02/343185702.db2.gz	RZYLDRCWOXRVNJ-LURJTMIESA-N	1	0	194.190	1.125	10	5		ADBERO
CNC(=[NH2+])c1cc([N+](=O)[O-])ccc1C	62994450	343394964	/nfs/dbraw/zinc/39/49/64/343394964.db2.gz	CANCXNZDFPPPRY-UHFFFAOYSA-N	1	0	193.206	1.448	10	5		ADBERO
[NH3+]C/C=C/c1ccc([N+](=O)[O-])o1	69050185	343424847	/nfs/dbraw/zinc/42/48/47/343424847.db2.gz	UOLCQGFLIQGKRH-OWOJBTEDSA-N	1	0	168.152	1.160	10	5		ADBERO
C1CC23CCC[N+]2(C1)CCC3	2504682	166086278	/nfs/dbraw/zinc/08/62/78/166086278.db2.gz	HKNFEDWZNQUTOB-UHFFFAOYSA-N	1	0	152.261	1.923	10	5		ADBERO
C1CCC[N+]2(CC1)CCOCC2	5725564	166091993	/nfs/dbraw/zinc/09/19/93/166091993.db2.gz	FZBVVOPIGYAKDX-UHFFFAOYSA-N	1	0	170.276	1.407	10	5		ADBERO
C1CC[N+]2(CC1)CCSCC2	38648294	166093109	/nfs/dbraw/zinc/09/31/09/166093109.db2.gz	ULVUXVQMMWHBFT-UHFFFAOYSA-N	1	0	172.317	1.734	10	5		ADBERO
C=C[N@+]1(C)C=CN=C1	255965693	166222061	/nfs/dbraw/zinc/22/20/61/166222061.db2.gz	BVCPHGJYVNRFRP-MRVPVSSYSA-N	1	0	109.152	1.090	10	5		ADBERO
C=C[N@@+]1(C)C=CN=C1	255965694	166222078	/nfs/dbraw/zinc/22/20/78/166222078.db2.gz	BVCPHGJYVNRFRP-QMMMGPOBSA-N	1	0	109.152	1.090	10	5		ADBERO
CC(=O)C1CC[N+](C)(C)CC1	26834782	166237054	/nfs/dbraw/zinc/23/70/54/166237054.db2.gz	UPYWRUXFXVFTBL-UHFFFAOYSA-N	1	0	156.249	1.062	10	5		ADBERO
CC(=O)CCC[N+](C)(C)C	2509990	166242552	/nfs/dbraw/zinc/24/25/52/166242552.db2.gz	UKCYTFTWLWVZSO-UHFFFAOYSA-N	1	0	144.238	1.062	10	5	in-vivo	ADBERO
CC(=O)CC[N+]1(C)CCCCC1	5383012	166244300	/nfs/dbraw/zinc/24/43/00/166244300.db2.gz	HEPMSJNGGBSGOT-UHFFFAOYSA-N	1	0	170.276	1.596	10	5		ADBERO
CC(=O)SCC[N+](C)(C)C(C)C	1881709	166296676	/nfs/dbraw/zinc/29/66/76/166296676.db2.gz	LFQWWYVJQTZWJA-UHFFFAOYSA-N	1	0	190.332	1.751	10	5		ADBERO
CC(C)(C[NH+]1CCCCC1)[N+](=O)[O-]	3631595	166396441	/nfs/dbraw/zinc/39/64/41/166396441.db2.gz	KWULWMUTIBFSHV-UHFFFAOYSA-N	1	0	186.255	1.528	10	5		ADBERO
CC(C)([NH3+])c1ccc([N+](=O)[O-])cc1F	75934468	166404750	/nfs/dbraw/zinc/40/47/50/166404750.db2.gz	ZAZUEBWEJLPSSR-UHFFFAOYSA-N	1	0	198.197	1.928	10	5		ADBERO
Cc1c[nH+]c(NN(C)C)cc1[N+](=O)[O-]	133725078	343925644	/nfs/dbraw/zinc/92/56/44/343925644.db2.gz	IOSBPDANFQMHCR-UHFFFAOYSA-N	1	0	196.210	1.187	10	5		ADBERO
CC1(C)OCO/C1=C/C[N+](C)(C)C	33286875	166697096	/nfs/dbraw/zinc/69/70/96/166697096.db2.gz	JMNCBOFOJQYSBA-RMKNXTFCSA-N	1	0	186.275	1.359	10	5		ADBERO
CC[NH2+]CCc1ccccc1[N+](=O)[O-]	1666792	167269336	/nfs/dbraw/zinc/26/93/36/167269336.db2.gz	BWGMJPBITDWZLS-UHFFFAOYSA-N	1	0	194.234	1.747	10	5		ADBERO
CC[NH2+]Cc1ccc([N+](=O)[O-])s1	83228563	167273876	/nfs/dbraw/zinc/27/38/76/167273876.db2.gz	WRLIIZCJOATPMU-UHFFFAOYSA-N	1	0	186.236	1.766	10	5		ADBERO
CC[NH2+]Cc1cc(F)ccc1[N+](=O)[O-]	35307925	167275210	/nfs/dbraw/zinc/27/52/10/167275210.db2.gz	NCSRWEOEZLYJON-UHFFFAOYSA-N	1	0	198.197	1.843	10	5		ADBERO
CC[NH2+]Cc1ccc([N+](=O)[O-])o1	37184573	167275756	/nfs/dbraw/zinc/27/57/56/167275756.db2.gz	JECXXUHORNJBFI-UHFFFAOYSA-N	1	0	170.168	1.297	10	5		ADBERO
CC[NH2+]Cc1csc([N+](=O)[O-])c1	37472302	167279047	/nfs/dbraw/zinc/27/90/47/167279047.db2.gz	FOPKSTNUMJRNFU-UHFFFAOYSA-N	1	0	186.236	1.766	10	5		ADBERO
CC[C@@H]([NH3+])Cc1ccc([N+](=O)[O-])cc1	38128894	167523342	/nfs/dbraw/zinc/52/33/42/167523342.db2.gz	CGZRQVGXDHRWAF-SECBINFHSA-N	1	0	194.234	1.875	10	5		ADBERO
C[NH2+]CCOc1ccc([N+](=O)[O-])cc1	19776823	167997090	/nfs/dbraw/zinc/99/70/90/167997090.db2.gz	SQWNEHIJLURBNR-UHFFFAOYSA-N	1	0	196.206	1.193	10	5		ADBERO
C[NH2+]CCc1cccc([N+](=O)[O-])c1C	53301941	168001708	/nfs/dbraw/zinc/00/17/08/168001708.db2.gz	BCOSUGLUIFEVKS-UHFFFAOYSA-N	1	0	194.234	1.665	10	5		ADBERO
C[NH2+]C[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])o1	54588703	168009186	/nfs/dbraw/zinc/00/91/86/168009186.db2.gz	IPQIEXKKFJKRFV-NKWVEPMBSA-N	1	0	196.206	1.511	10	5		ADBERO
C[NH2+]C[C@@H]1C[C@@H]1c1ccc([N+](=O)[O-])o1	54588699	168009545	/nfs/dbraw/zinc/00/95/45/168009545.db2.gz	IPQIEXKKFJKRFV-BQBZGAKWSA-N	1	0	196.206	1.511	10	5		ADBERO
C[NH2+]C[C@H]1C[C@@H]1c1ccc([N+](=O)[O-])o1	54588701	168014167	/nfs/dbraw/zinc/01/41/67/168014167.db2.gz	IPQIEXKKFJKRFV-RQJHMYQMSA-N	1	0	196.206	1.511	10	5		ADBERO
C[NH2+]C[C@H]1C[C@H]1c1ccc([N+](=O)[O-])o1	54588705	168014956	/nfs/dbraw/zinc/01/49/56/168014956.db2.gz	IPQIEXKKFJKRFV-RNFRBKRXSA-N	1	0	196.206	1.511	10	5		ADBERO
C[NH2+]Cc1cc([N+](=O)[O-])ccc1C	83340470	168015237	/nfs/dbraw/zinc/01/52/37/168015237.db2.gz	FREQONAFCYATQR-UHFFFAOYSA-N	1	0	180.207	1.623	10	5		ADBERO
C[NH2+]Cc1cc([N+](=O)[O-])ccc1F	83340882	168015339	/nfs/dbraw/zinc/01/53/39/168015339.db2.gz	ZOGRZPOYWXATAS-UHFFFAOYSA-N	1	0	184.170	1.453	10	5		ADBERO
C[NH2+]Cc1cc(F)ccc1[N+](=O)[O-]	35307920	168015479	/nfs/dbraw/zinc/01/54/79/168015479.db2.gz	HDPUZXUQRCTHCN-UHFFFAOYSA-N	1	0	184.170	1.453	10	5		ADBERO
C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC	34936534	168016989	/nfs/dbraw/zinc/01/69/89/168016989.db2.gz	VAJJOOCTYZKXHF-UHFFFAOYSA-N	1	0	196.206	1.323	10	5		ADBERO
C[NH2+]Cc1ccc(F)cc1[N+](=O)[O-]	83340884	168017965	/nfs/dbraw/zinc/01/79/65/168017965.db2.gz	AKWNKBSIGUZNMU-UHFFFAOYSA-N	1	0	184.170	1.453	10	5		ADBERO
C[NH2+]Cc1ccc(F)c([N+](=O)[O-])c1	83340883	168019074	/nfs/dbraw/zinc/01/90/74/168019074.db2.gz	CLVJIECLTRQRNS-UHFFFAOYSA-N	1	0	184.170	1.453	10	5		ADBERO
C[NH2+]Cc1cccc([N+](=O)[O-])c1C	35648572	168020151	/nfs/dbraw/zinc/02/01/51/168020151.db2.gz	OSLWUZVHZRNDCQ-UHFFFAOYSA-N	1	0	180.207	1.623	10	5		ADBERO
C[NH2+]Cc1csc([N+](=O)[O-])c1	37472297	168022596	/nfs/dbraw/zinc/02/25/96/168022596.db2.gz	QTHSLNRXXDEFGB-UHFFFAOYSA-N	1	0	172.209	1.376	10	5		ADBERO
C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-]	6021072	168031846	/nfs/dbraw/zinc/03/18/46/168031846.db2.gz	GPGIHKMMXVEDQK-QMMMGPOBSA-N	1	0	194.234	1.745	10	5		ADBERO
C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1	37176694	168034260	/nfs/dbraw/zinc/03/42/60/168034260.db2.gz	BYDOKFIMMMYWJA-ZETCQYMHSA-N	1	0	180.207	1.875	10	5		ADBERO
C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-]	20525874	168035622	/nfs/dbraw/zinc/03/56/22/168035622.db2.gz	HWHZKZFKKUSEQJ-ZETCQYMHSA-N	1	0	180.207	1.875	10	5		ADBERO
C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-]	6036876	168050607	/nfs/dbraw/zinc/05/06/07/168050607.db2.gz	GPGIHKMMXVEDQK-MRVPVSSYSA-N	1	0	194.234	1.745	10	5		ADBERO
C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-]	20525875	168051463	/nfs/dbraw/zinc/05/14/63/168051463.db2.gz	HWHZKZFKKUSEQJ-SSDOTTSWSA-N	1	0	180.207	1.875	10	5		ADBERO
C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1	37176696	168051541	/nfs/dbraw/zinc/05/15/41/168051541.db2.gz	BYDOKFIMMMYWJA-SSDOTTSWSA-N	1	0	180.207	1.875	10	5		ADBERO
COc1cc(CC[NH3+])cc([N+](=O)[O-])c1	88042880	168234756	/nfs/dbraw/zinc/23/47/56/168234756.db2.gz	BPFVMKKYZHTTDU-UHFFFAOYSA-N	1	0	196.206	1.105	10	5		ADBERO
COc1cc([C@@H](C)[NH3+])ccc1[N+](=O)[O-]	83591762	168238679	/nfs/dbraw/zinc/23/86/79/168238679.db2.gz	NLVHRLMOWWTCQZ-ZCFIWIBFSA-N	1	0	196.206	1.623	10	5		ADBERO
COc1cc([C@H](C)[NH3+])ccc1[N+](=O)[O-]	83591758	168239054	/nfs/dbraw/zinc/23/90/54/168239054.db2.gz	NLVHRLMOWWTCQZ-LURJTMIESA-N	1	0	196.206	1.623	10	5		ADBERO
COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH3+]	83159684	168241559	/nfs/dbraw/zinc/24/15/59/168241559.db2.gz	SEBUOEGYAHOLOM-ZCFIWIBFSA-N	1	0	196.206	1.623	10	5		ADBERO
COc1ccc(CC[NH3+])cc1[N+](=O)[O-]	14492581	168248569	/nfs/dbraw/zinc/24/85/69/168248569.db2.gz	VVURPGSRPLBVFO-UHFFFAOYSA-N	1	0	196.206	1.105	10	5		ADBERO
COc1ccc([C@@H](C)[NH3+])cc1[N+](=O)[O-]	3705695	168256793	/nfs/dbraw/zinc/25/67/93/168256793.db2.gz	RKBYKKHHYOGSRL-ZCFIWIBFSA-N	1	0	196.206	1.623	10	5		ADBERO
COc1ccc([C@H](C)[NH3+])cc1[N+](=O)[O-]	3705694	168259221	/nfs/dbraw/zinc/25/92/21/168259221.db2.gz	RKBYKKHHYOGSRL-LURJTMIESA-N	1	0	196.206	1.623	10	5		ADBERO
COc1ccc([N+](=O)[O-])cc1CC[NH3+]	53301873	168260339	/nfs/dbraw/zinc/26/03/39/168260339.db2.gz	NHQMBFNTJVHFKE-UHFFFAOYSA-N	1	0	196.206	1.105	10	5		ADBERO
COc1ccc([N+](=O)[O-])c([C@H](C)[NH3+])c1	83591956	168260526	/nfs/dbraw/zinc/26/05/26/168260526.db2.gz	AIPCYHZMTVMQQW-LURJTMIESA-N	1	0	196.206	1.623	10	5		ADBERO
COc1ccc([N+](=O)[O-])c(C[NH3+])c1	83340666	168260775	/nfs/dbraw/zinc/26/07/75/168260775.db2.gz	DZJKVKCPWQBJSU-UHFFFAOYSA-N	1	0	182.179	1.062	10	5		ADBERO
COc1ccc([N+](=O)[O-])c([C@@H](C)[NH3+])c1	83591957	168260857	/nfs/dbraw/zinc/26/08/57/168260857.db2.gz	AIPCYHZMTVMQQW-ZCFIWIBFSA-N	1	0	196.206	1.623	10	5		ADBERO
COc1cccc(C[N+](C)(C)C)c1	1720775	168269023	/nfs/dbraw/zinc/26/90/23/168269023.db2.gz	VFHNTJUHDNGDMG-UHFFFAOYSA-N	1	0	180.271	1.901	10	5		ADBERO
C[C@@H]([NH3+])/C=C/c1ccc([N+](=O)[O-])cc1	83592637	168356183	/nfs/dbraw/zinc/35/61/83/168356183.db2.gz	CRWUHVQZKMUWBB-UFUPEUMYSA-N	1	0	192.218	1.955	10	5		ADBERO
C[C@@H]([NH3+])/C=C/c1cccc([N+](=O)[O-])c1	83592231	168359477	/nfs/dbraw/zinc/35/94/77/168359477.db2.gz	YJBMQHCSSQSXPC-HQZHTGGTSA-N	1	0	192.218	1.955	10	5		ADBERO
C[C@@H]([NH3+])C(=O)c1cccc([N+](=O)[O-])c1	38136784	168359646	/nfs/dbraw/zinc/35/96/46/168359646.db2.gz	RZYLDRCWOXRVNJ-ZCFIWIBFSA-N	1	0	194.190	1.125	10	5		ADBERO
C[C@@H]([NH3+])Cc1ccc([N+](=O)[O-])cc1	3635661	168364054	/nfs/dbraw/zinc/36/40/54/168364054.db2.gz	CQVVPZKXDRZYBM-SSDOTTSWSA-N	1	0	180.207	1.485	10	5		ADBERO
C[C@@H]([NH3+])Cc1cccc([N+](=O)[O-])c1	83186254	168364476	/nfs/dbraw/zinc/36/44/76/168364476.db2.gz	XJJVTSKPPVGNGC-SSDOTTSWSA-N	1	0	180.207	1.485	10	5		ADBERO
C[C@@H]([NH3+])Cc1ccc(F)cc1[N+](=O)[O-]	63024761	168364665	/nfs/dbraw/zinc/36/46/65/168364665.db2.gz	XDJWSDWUNJLVKC-ZCFIWIBFSA-N	1	0	198.197	1.624	10	5		ADBERO
C[C@@H]([NH3+])Cc1ccc(F)c([N+](=O)[O-])c1	71424357	168364993	/nfs/dbraw/zinc/36/49/93/168364993.db2.gz	QPOSHJDPZABZHA-ZCFIWIBFSA-N	1	0	198.197	1.624	10	5		ADBERO
C[C@@H]([NH3+])Cc1ccccc1[N+](=O)[O-]	19844372	168365123	/nfs/dbraw/zinc/36/51/23/168365123.db2.gz	PKTFLTXJYCKUIF-SSDOTTSWSA-N	1	0	180.207	1.485	10	5		ADBERO
C[C@@H]([NH3+])c1cc([N+](=O)[O-])ccc1F	83592924	168369358	/nfs/dbraw/zinc/36/93/58/168369358.db2.gz	FJBXCHOQOVGGFP-RXMQYKEDSA-N	1	0	184.170	1.754	10	5		ADBERO
C[C@@H]([NH3+])c1ccc([N+](=O)[O-])s1	83160286	168369510	/nfs/dbraw/zinc/36/95/10/168369510.db2.gz	XOSMIGFJAYIXQK-SCSAIBSYSA-N	1	0	172.209	1.676	10	5		ADBERO
C[C@@H]([NH3+])c1cc(F)cc([N+](=O)[O-])c1	83593080	168369526	/nfs/dbraw/zinc/36/95/26/168369526.db2.gz	NHAFUFZLISNQJI-RXMQYKEDSA-N	1	0	184.170	1.754	10	5		ADBERO
C[C@@H]([NH3+])c1ccc([N+](=O)[O-])cc1F	83592031	168370261	/nfs/dbraw/zinc/37/02/61/168370261.db2.gz	VKAYVJQAVUVAAU-RXMQYKEDSA-N	1	0	184.170	1.754	10	5		ADBERO
C[C@@H]([NH3+])c1cc(O)cc([N+](=O)[O-])c1	83593002	168370830	/nfs/dbraw/zinc/37/08/30/168370830.db2.gz	VVSCWAZTIUUCIZ-RXMQYKEDSA-N	1	0	182.179	1.320	10	5		ADBERO
C[C@@H]([NH3+])c1ccc([N+](=O)[O-])c(F)c1	83592092	168370937	/nfs/dbraw/zinc/37/09/37/168370937.db2.gz	FXNZZUOSBKMZPL-RXMQYKEDSA-N	1	0	184.170	1.754	10	5		ADBERO
C[C@@H]([NH3+])c1cc(F)ccc1[N+](=O)[O-]	83592919	168370996	/nfs/dbraw/zinc/37/09/96/168370996.db2.gz	WVIAECLQLAKVIL-RXMQYKEDSA-N	1	0	184.170	1.754	10	5		ADBERO
C[C@@H]([NH3+])c1ccc(F)c([N+](=O)[O-])c1	75416870	168371043	/nfs/dbraw/zinc/37/10/43/168371043.db2.gz	JIYHZAWZKXXOQJ-RXMQYKEDSA-N	1	0	184.170	1.754	10	5		ADBERO
C[C@@H]([NH3+])c1ccncc1[N+](=O)[O-]	299890296	168372629	/nfs/dbraw/zinc/37/26/29/168372629.db2.gz	XIWJOYFSQPVCHT-RXMQYKEDSA-N	1	0	167.168	1.010	10	5		ADBERO
C[C@@H]([C@@H](O)c1ccccc1)[N+](C)(C)C	388601	168405112	/nfs/dbraw/zinc/40/51/12/168405112.db2.gz	QKAWKVWXRHHPJG-CMPLNLGQSA-N	1	0	194.298	1.815	10	5		ADBERO
C[C@@H]1O[C@@H](C[N+](C)(C)C)C[C@@H]1F	13726461	168489690	/nfs/dbraw/zinc/48/96/90/168489690.db2.gz	RFMUQKVCQUKGBN-YIZRAAEISA-N	1	0	176.255	1.208	10	5		ADBERO
C[C@H]([NH3+])Cc1ccc(F)cc1[N+](=O)[O-]	63024760	168551159	/nfs/dbraw/zinc/55/11/59/168551159.db2.gz	XDJWSDWUNJLVKC-LURJTMIESA-N	1	0	198.197	1.624	10	5		ADBERO
C[C@H]1CCC[C@@H](C)[N@+]1(C)CCCO	255969363	168609878	/nfs/dbraw/zinc/60/98/78/168609878.db2.gz	DJXYPTWSJYRDPB-GDNZZTSVSA-N	1	0	186.319	1.776	10	5		ADBERO
C[C@H]1CCC[C@H](C)[N+]1(C)CCCO	33638001	168610741	/nfs/dbraw/zinc/61/07/41/168610741.db2.gz	DJXYPTWSJYRDPB-QWRGUYRKSA-N	1	0	186.319	1.776	10	5		ADBERO
C[N+](C)(C)CCCCN1CCCC1=O	2040359	168692540	/nfs/dbraw/zinc/69/25/40/168692540.db2.gz	UNIZDQGPDQBPKR-UHFFFAOYSA-N	1	0	199.318	1.095	10	5		ADBERO
C[N@@+]12CCCC[C@@H]1[C@@H](CO)CCC2	245298178	168693709	/nfs/dbraw/zinc/69/37/09/168693709.db2.gz	YAUVTYWHVQNESX-UTUOFQBUSA-N	1	0	184.303	1.388	10	5	biogenic	ADBERO
C[N@@+]12CCCC[C@H]1[C@@H](CO)CCC2	245298180	168693852	/nfs/dbraw/zinc/69/38/52/168693852.db2.gz	YAUVTYWHVQNESX-WOPDTQHZSA-N	1	0	184.303	1.388	10	5	biogenic	ADBERO
C[N@+]12CCCC[C@@H]1[C@@H](CCO)CCC2	253393371	168693970	/nfs/dbraw/zinc/69/39/70/168693970.db2.gz	GCMCDBVXBVNWAL-JHJVBQTASA-N	1	0	198.330	1.778	10	5	biogenic	ADBERO
C[n+]1cccc([C@H]2CCC[N@@+]2(C)[O-])c1	255972103	168695718	/nfs/dbraw/zinc/69/57/18/168695718.db2.gz	FNKVTZJGGWWGAI-DGCLKSJQSA-N	1	0	194.278	1.182	10	5		ADBERO
Cc1cc([C@H](C)[NH3+])ccc1[N+](=O)[O-]	83591230	168781350	/nfs/dbraw/zinc/78/13/50/168781350.db2.gz	OBPDIGWGFVAAID-ZETCQYMHSA-N	1	0	180.207	1.923	10	5		ADBERO
Cc1cc([N+](=O)[O-])ccc1NC(N)=[NH2+]	21986932	168784396	/nfs/dbraw/zinc/78/43/96/168784396.db2.gz	STXXMCQQEVOHHE-UHFFFAOYSA-N	1	0	194.194	1.209	10	5	in-vitro	ADBERO
Cc1ccc(NCC[NH3+])c([N+](=O)[O-])c1	37401008	168826365	/nfs/dbraw/zinc/82/63/65/168826365.db2.gz	OCOFEPGFSXSQMK-UHFFFAOYSA-N	1	0	195.222	1.274	10	5		ADBERO
Cc1ccc(OCC[NH3+])c([N+](=O)[O-])c1	41045818	168830802	/nfs/dbraw/zinc/83/08/02/168830802.db2.gz	WIJQQZYPFDHUST-UHFFFAOYSA-N	1	0	196.206	1.241	10	5		ADBERO
Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH3+]	19969209	168845270	/nfs/dbraw/zinc/84/52/70/168845270.db2.gz	VDXFFWBAGCRBPN-SSDOTTSWSA-N	1	0	180.207	1.923	10	5		ADBERO
Cc1ccc([N+](=O)[O-])cc1OCC[NH3+]	38081705	168845288	/nfs/dbraw/zinc/84/52/88/168845288.db2.gz	LYATZKVRKOKVRZ-UHFFFAOYSA-N	1	0	196.206	1.241	10	5		ADBERO
Cc1ccc([N+](=O)[O-])cc1NCC[NH3+]	53734354	168845460	/nfs/dbraw/zinc/84/54/60/168845460.db2.gz	QARMJJLSVGGUMK-UHFFFAOYSA-N	1	0	195.222	1.274	10	5		ADBERO
Cc1cccc([C@@H](C)[NH3+])c1[N+](=O)[O-]	83591255	168873531	/nfs/dbraw/zinc/87/35/31/168873531.db2.gz	NZAMPOWYHNXGOD-SSDOTTSWSA-N	1	0	180.207	1.923	10	5		ADBERO
Cc1cccc([N+](C)(C)C)n1	15781186	168876692	/nfs/dbraw/zinc/87/66/92/168876692.db2.gz	ORIVBJAQXXMOIS-UHFFFAOYSA-N	1	0	151.233	1.587	10	5		ADBERO
Cc1sc([N+](=O)[O-])c(C)[n+]1C	5378464	169014553	/nfs/dbraw/zinc/01/45/53/169014553.db2.gz	IYQKZRJBNHJWLP-UHFFFAOYSA-N	1	0	173.217	1.098	10	5		ADBERO
Cc1s[n+](C)c(C)c1[N+](=O)[O-]	5378238	169015069	/nfs/dbraw/zinc/01/50/69/169015069.db2.gz	UDWDWCMVUJRTPP-UHFFFAOYSA-N	1	0	173.217	1.098	10	5		ADBERO
Cc1sc(C)[n+](C)c1[N+](=O)[O-]	5378053	169015449	/nfs/dbraw/zinc/01/54/49/169015449.db2.gz	XURUWMVCIBOVDY-UHFFFAOYSA-N	1	0	173.217	1.098	10	5		ADBERO
F[N+]12CCC(CC1)CC2	2534452	169080445	/nfs/dbraw/zinc/08/04/45/169080445.db2.gz	PTTMEAWWCLKJAD-UHFFFAOYSA-N	1	0	130.186	1.501	10	5		ADBERO
NC(=[NH2+])Cc1cc([N+](=O)[O-])ccc1F	75932133	169137359	/nfs/dbraw/zinc/13/73/59/169137359.db2.gz	UNZHFHSULDMQCJ-UHFFFAOYSA-N	1	0	197.169	1.212	10	5		ADBERO
[NH3+]C/C=C/c1ccccc1[N+](=O)[O-]	69049714	169169104	/nfs/dbraw/zinc/16/91/04/169169104.db2.gz	GSWGDDFGSAFPKT-HWKANZROSA-N	1	0	178.191	1.567	10	5		ADBERO
[NH3+]C/C=C/c1ccc([N+](=O)[O-])cc1	39322722	169169484	/nfs/dbraw/zinc/16/94/84/169169484.db2.gz	MJVNGMGZJDQUKM-OWOJBTEDSA-N	1	0	178.191	1.567	10	5		ADBERO
[NH3+]CCCc1ccccc1[N+](=O)[O-]	35321574	169185879	/nfs/dbraw/zinc/18/58/79/169185879.db2.gz	BCZABYQPAJJQAI-UHFFFAOYSA-N	1	0	180.207	1.486	10	5		ADBERO
[NH3+]CCNc1cc(F)cc([N+](=O)[O-])c1	37870880	169189308	/nfs/dbraw/zinc/18/93/08/169189308.db2.gz	JALKITNRLILTJP-UHFFFAOYSA-N	1	0	199.185	1.105	10	5		ADBERO
[NH3+]CCNc1ccc(F)cc1[N+](=O)[O-]	21949046	169189387	/nfs/dbraw/zinc/18/93/87/169189387.db2.gz	LKPLGJLYNDRYNO-UHFFFAOYSA-N	1	0	199.185	1.105	10	5		ADBERO
[NH3+]CCNc1cccc(F)c1[N+](=O)[O-]	37419711	169189975	/nfs/dbraw/zinc/18/99/75/169189975.db2.gz	RZMULTRWCKRYDB-UHFFFAOYSA-N	1	0	199.185	1.105	10	5		ADBERO
[NH3+]CCNc1ccc([N+](=O)[O-])cc1F	20474707	169190438	/nfs/dbraw/zinc/19/04/38/169190438.db2.gz	VIDRSUKWTYXHPU-UHFFFAOYSA-N	1	0	199.185	1.105	10	5		ADBERO
[NH3+]CCNc1cc(F)ccc1[N+](=O)[O-]	52118910	169190521	/nfs/dbraw/zinc/19/05/21/169190521.db2.gz	SSZFJASBBBPWIW-UHFFFAOYSA-N	1	0	199.185	1.105	10	5		ADBERO
[NH3+]CCOCc1cccc([N+](=O)[O-])c1	51864362	169192102	/nfs/dbraw/zinc/19/21/02/169192102.db2.gz	GSVCEXVZAVDSGA-UHFFFAOYSA-N	1	0	196.206	1.070	10	5		ADBERO
[NH3+]CCOCc1ccccc1[N+](=O)[O-]	51864474	169192169	/nfs/dbraw/zinc/19/21/69/169192169.db2.gz	VQRWOQCPWWGIGI-UHFFFAOYSA-N	1	0	196.206	1.070	10	5		ADBERO
[NH3+]CCOCc1ccc([N+](=O)[O-])cc1	51864367	169192422	/nfs/dbraw/zinc/19/24/22/169192422.db2.gz	JJYDJEOHJCHSED-UHFFFAOYSA-N	1	0	196.206	1.070	10	5		ADBERO
[NH3+]CCSc1ccccc1[N+](=O)[O-]	35185172	169193606	/nfs/dbraw/zinc/19/36/06/169193606.db2.gz	LEZXIZCQXLRWJB-UHFFFAOYSA-N	1	0	198.247	1.646	10	5		ADBERO
[NH3+]CCc1cc(F)ccc1[N+](=O)[O-]	53301875	169196078	/nfs/dbraw/zinc/19/60/78/169196078.db2.gz	MFTSVJMWDDEPJX-UHFFFAOYSA-N	1	0	184.170	1.235	10	5		ADBERO
[NH3+]CCc1cc(F)cc([N+](=O)[O-])c1	95764767	169196388	/nfs/dbraw/zinc/19/63/88/169196388.db2.gz	LMBIPJQJJCABBZ-UHFFFAOYSA-N	1	0	184.170	1.235	10	5		ADBERO
[NH3+]CCc1ccc(F)c([N+](=O)[O-])c1	36438262	169197533	/nfs/dbraw/zinc/19/75/33/169197533.db2.gz	GNHDJKUXDHPDEX-UHFFFAOYSA-N	1	0	184.170	1.235	10	5		ADBERO
[NH3+]CCc1ccc([N+](=O)[O-])s1	21951039	169197640	/nfs/dbraw/zinc/19/76/40/169197640.db2.gz	UFHRIVHCKJIQKH-UHFFFAOYSA-N	1	0	172.209	1.158	10	5		ADBERO
[NH3+]CCc1ccc([N+](=O)[O-])c(F)c1	44250031	169198248	/nfs/dbraw/zinc/19/82/48/169198248.db2.gz	WIHIFKUCMARNNC-UHFFFAOYSA-N	1	0	184.170	1.235	10	5		ADBERO
[NH3+]CCc1ccsc1[N+](=O)[O-]	82400211	169199296	/nfs/dbraw/zinc/19/92/96/169199296.db2.gz	HJAGNOLOFNCALA-UHFFFAOYSA-N	1	0	172.209	1.158	10	5		ADBERO
[NH3+]C[C@@H]1C[C@@H]1c1csc([N+](=O)[O-])c1	54587077	169210430	/nfs/dbraw/zinc/21/04/30/169210430.db2.gz	YXFQWYOKEGUSHG-FSPLSTOPSA-N	1	0	198.247	1.719	10	5		ADBERO
[NH3+]C[C@@H]1C[C@H]1c1ccccc1[N+](=O)[O-]	54561905	169210437	/nfs/dbraw/zinc/21/04/37/169210437.db2.gz	XLZIYNIEBCNIOE-IONNQARKSA-N	1	0	192.218	1.657	10	5		ADBERO
[NH3+]C[C@@H]1C[C@H]1c1csc([N+](=O)[O-])c1	54587074	169210501	/nfs/dbraw/zinc/21/05/01/169210501.db2.gz	YXFQWYOKEGUSHG-CAHLUQPWSA-N	1	0	198.247	1.719	10	5		ADBERO
[NH3+]C[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1	54561891	169210532	/nfs/dbraw/zinc/21/05/32/169210532.db2.gz	HSIOIBBUTRPUBO-WPRPVWTQSA-N	1	0	192.218	1.657	10	5		ADBERO
[NH3+]C[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1	54561883	169210552	/nfs/dbraw/zinc/21/05/52/169210552.db2.gz	AMEWEADWEINTCF-WPRPVWTQSA-N	1	0	192.218	1.657	10	5		ADBERO
[NH3+]C[C@@H]1C[C@@H]1c1ccc([N+](=O)[O-])o1	54586869	169210585	/nfs/dbraw/zinc/21/05/85/169210585.db2.gz	TVYCVRQLWRQBKZ-WDSKDSINSA-N	1	0	182.179	1.250	10	5		ADBERO
[NH3+]C[C@@H]1C[C@@H]1c1ccccc1[N+](=O)[O-]	54561907	169210704	/nfs/dbraw/zinc/21/07/04/169210704.db2.gz	XLZIYNIEBCNIOE-CBAPKCEASA-N	1	0	192.218	1.657	10	5		ADBERO
[NH3+]C[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])o1	54586867	169210726	/nfs/dbraw/zinc/21/07/26/169210726.db2.gz	TVYCVRQLWRQBKZ-NTSWFWBYSA-N	1	0	182.179	1.250	10	5		ADBERO
[NH3+]C[C@@H]1Cc2cccc([N+](=O)[O-])c2C1	95077519	169210760	/nfs/dbraw/zinc/21/07/60/169210760.db2.gz	PRBPTKJMEMDFEM-SSDOTTSWSA-N	1	0	192.218	1.268	10	5		ADBERO
[NH3+]C[C@@H]1C[C@@H]1c1ccc([N+](=O)[O-])cc1	54561893	169210793	/nfs/dbraw/zinc/21/07/93/169210793.db2.gz	HSIOIBBUTRPUBO-WCBMZHEXSA-N	1	0	192.218	1.657	10	5		ADBERO
[NH3+]C[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1	54561885	169210895	/nfs/dbraw/zinc/21/08/95/169210895.db2.gz	AMEWEADWEINTCF-WCBMZHEXSA-N	1	0	192.218	1.657	10	5		ADBERO
[NH3+]Cc1c[nH]c2cc([N+](=O)[O-])ccc12	82636565	169218343	/nfs/dbraw/zinc/21/83/43/169218343.db2.gz	IIUNORGPLJQTKG-UHFFFAOYSA-N	1	0	191.190	1.535	10	5		ADBERO
[NH3+]Cc1c(F)cc([N+](=O)[O-])cc1F	216072787	169218444	/nfs/dbraw/zinc/21/84/44/169218444.db2.gz	DRIUWHDHODBOJZ-UHFFFAOYSA-N	1	0	188.133	1.332	10	5		ADBERO
[NH3+]Cc1c(F)ccc([N+](=O)[O-])c1F	44236524	169218669	/nfs/dbraw/zinc/21/86/69/169218669.db2.gz	VLEUEFCTNFGIGG-UHFFFAOYSA-N	1	0	188.133	1.332	10	5		ADBERO
[NH3+]Cc1c[nH]c2ccc([N+](=O)[O-])cc12	82636566	169219124	/nfs/dbraw/zinc/21/91/24/169219124.db2.gz	XCLDULUBQOTJLG-UHFFFAOYSA-N	1	0	191.190	1.535	10	5		ADBERO
[NH3+]Cc1cc(F)c([N+](=O)[O-])cc1F	83341335	169220045	/nfs/dbraw/zinc/22/00/45/169220045.db2.gz	SZRKZQDHAHHVKD-UHFFFAOYSA-N	1	0	188.133	1.332	10	5		ADBERO
[NH3+]Cc1cc2cc([N+](=O)[O-])ccc2o1	68591751	169220049	/nfs/dbraw/zinc/22/00/49/169220049.db2.gz	QTUOOFZAKSGAQH-UHFFFAOYSA-N	1	0	192.174	1.800	10	5		ADBERO
[NH3+]Cc1cc(Cl)cc([N+](=O)[O-])n1	95766747	169220385	/nfs/dbraw/zinc/22/03/85/169220385.db2.gz	SEIZQOAZGGEXHJ-UHFFFAOYSA-N	1	0	187.586	1.102	10	5		ADBERO
[NH3+]Cc1cc(Cl)cc([N+](=O)[O-])c1	82635953	169220409	/nfs/dbraw/zinc/22/04/09/169220409.db2.gz	IEGKBYAFMYXIQZ-UHFFFAOYSA-N	1	0	186.598	1.707	10	5		ADBERO
[NH3+]Cc1cc2c([N+](=O)[O-])cccc2o1	82890597	169220492	/nfs/dbraw/zinc/22/04/92/169220492.db2.gz	HRIMMEPRRLKGAM-UHFFFAOYSA-N	1	0	192.174	1.800	10	5		ADBERO
[NH3+]Cc1cc(F)cc([N+](=O)[O-])c1	82633485	169220524	/nfs/dbraw/zinc/22/05/24/169220524.db2.gz	ZHKBWORXSLHAJJ-UHFFFAOYSA-N	1	0	170.143	1.193	10	5		ADBERO
[NH3+]Cc1cc([N+](=O)[O-])cc(Cl)n1	95766585	169220677	/nfs/dbraw/zinc/22/06/77/169220677.db2.gz	KVHAOHCMMTXVEQ-UHFFFAOYSA-N	1	0	187.586	1.102	10	5		ADBERO
[NH3+]Cc1cc(Cl)nc([N+](=O)[O-])c1	95766903	169220996	/nfs/dbraw/zinc/22/09/96/169220996.db2.gz	ZUEIUQMPQXFTCV-UHFFFAOYSA-N	1	0	187.586	1.102	10	5		ADBERO
[NH3+]Cc1cccc(Cl)c1[N+](=O)[O-]	83341238	169224565	/nfs/dbraw/zinc/22/45/65/169224565.db2.gz	IQPCFFSRDQPOIU-UHFFFAOYSA-N	1	0	186.598	1.707	10	5		ADBERO
[NH3+]Cc1cccc([N+](=O)[O-])c1Cl	83341239	169224603	/nfs/dbraw/zinc/22/46/03/169224603.db2.gz	FEQILELFQOASSW-UHFFFAOYSA-N	1	0	186.598	1.707	10	5		ADBERO
[NH3+]Cc1nc(Cl)ccc1[N+](=O)[O-]	71244613	169228299	/nfs/dbraw/zinc/22/82/99/169228299.db2.gz	LRJSSKCLCRESQQ-UHFFFAOYSA-N	1	0	187.586	1.102	10	5		ADBERO
[NH3+]Cc1csc([N+](=O)[O-])c1	37403987	169228358	/nfs/dbraw/zinc/22/83/58/169228358.db2.gz	USVXNAIIFNGSGF-UHFFFAOYSA-N	1	0	158.182	1.115	10	5		ADBERO
[NH3+]Cc1nccc(Cl)c1[N+](=O)[O-]	38540146	169230846	/nfs/dbraw/zinc/23/08/46/169230846.db2.gz	AUGKDDADBFQPNU-UHFFFAOYSA-N	1	0	187.586	1.102	10	5		ADBERO
[NH3+][C@@H]1CCOc2c1cccc2[N+](=O)[O-]	16082975	169254562	/nfs/dbraw/zinc/25/45/62/169254562.db2.gz	BKDAWEVAXYDQDO-SSDOTTSWSA-N	1	0	194.190	1.377	10	5		ADBERO
[NH3+][C@@H]1CCc2cc([N+](=O)[O-])ccc2C1	8699660	169257416	/nfs/dbraw/zinc/25/74/16/169257416.db2.gz	NRHVIVNOSFECBW-SECBINFHSA-N	1	0	192.218	1.411	10	5		ADBERO
[NH3+][C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1	37381528	169257871	/nfs/dbraw/zinc/25/78/71/169257871.db2.gz	FGGNZQAIWREEHT-RKDXNWHRSA-N	1	0	178.191	1.409	10	5		ADBERO
[NH3+][C@@H]1C[C@@H]1c1ccccc1[N+](=O)[O-]	37381554	169257977	/nfs/dbraw/zinc/25/79/77/169257977.db2.gz	XLJUTKNNMIBCGO-HTQZYQBOSA-N	1	0	178.191	1.409	10	5		ADBERO
[NH3+][C@@H]1C[C@@H]1c1csc([N+](=O)[O-])c1	37472398	169258243	/nfs/dbraw/zinc/25/82/43/169258243.db2.gz	OUNNDSWSTOYNQJ-PHDIDXHHSA-N	1	0	184.220	1.471	10	5		ADBERO
[NH3+][C@@H]1C[C@@H]1c1ccc([N+](=O)[O-])cc1	37381536	169258414	/nfs/dbraw/zinc/25/84/14/169258414.db2.gz	YTAGFMUMBRBWAV-RKDXNWHRSA-N	1	0	178.191	1.409	10	5		ADBERO
[NH3+][C@@H]1C[C@@H]1c1ccc([N+](=O)[O-])o1	37381607	169258577	/nfs/dbraw/zinc/25/85/77/169258577.db2.gz	SUQUWNYMHYLXFU-CRCLSJGQSA-N	1	0	168.152	1.002	10	5		ADBERO
[NH3+][C@@H]1C[C@@H]1Nc1cccc([N+](=O)[O-])c1	36267576	169258830	/nfs/dbraw/zinc/25/88/30/169258830.db2.gz	PINXPDNOVJSXNQ-BDAKNGLRSA-N	1	0	193.206	1.106	10	5		ADBERO
[NH3+][C@@H]1C[C@@H]1Nc1ccc([N+](=O)[O-])cc1	36267917	169258845	/nfs/dbraw/zinc/25/88/45/169258845.db2.gz	BAISOUPGNDTLFD-BDAKNGLRSA-N	1	0	193.206	1.106	10	5		ADBERO
[NH3+][C@@H]1C[C@@H]1Nc1ccccc1[N+](=O)[O-]	36267984	169258932	/nfs/dbraw/zinc/25/89/32/169258932.db2.gz	YGGUHNGBPVBNFA-SVRRBLITSA-N	1	0	193.206	1.106	10	5		ADBERO
[NH3+][C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1	6092553	169259283	/nfs/dbraw/zinc/25/92/83/169259283.db2.gz	FGGNZQAIWREEHT-DTWKUNHWSA-N	1	0	178.191	1.409	10	5		ADBERO
[NH3+][C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1	6093224	169259940	/nfs/dbraw/zinc/25/99/40/169259940.db2.gz	YTAGFMUMBRBWAV-DTWKUNHWSA-N	1	0	178.191	1.409	10	5		ADBERO
[NH3+][C@@H]1C[C@H]1Nc1cccc([N+](=O)[O-])c1	36267575	169259942	/nfs/dbraw/zinc/25/99/42/169259942.db2.gz	PINXPDNOVJSXNQ-RKDXNWHRSA-N	1	0	193.206	1.106	10	5		ADBERO
[NH3+][C@@H]1C[C@H]1Nc1ccccc1[N+](=O)[O-]	36267983	169259961	/nfs/dbraw/zinc/25/99/61/169259961.db2.gz	YGGUHNGBPVBNFA-HTRCEHHLSA-N	1	0	193.206	1.106	10	5		ADBERO
[NH3+][C@@H]1C[C@H]1Nc1ccc([N+](=O)[O-])cc1	36267916	169260062	/nfs/dbraw/zinc/26/00/62/169260062.db2.gz	BAISOUPGNDTLFD-RKDXNWHRSA-N	1	0	193.206	1.106	10	5		ADBERO
[NH3+][C@@H]1C[C@H]1c1ccccc1[N+](=O)[O-]	37381552	169260144	/nfs/dbraw/zinc/26/01/44/169260144.db2.gz	XLJUTKNNMIBCGO-JGVFFNPUSA-N	1	0	178.191	1.409	10	5		ADBERO
[NH3+][C@@H]1C[C@H]1c1ccc([N+](=O)[O-])o1	37381605	169260177	/nfs/dbraw/zinc/26/01/77/169260177.db2.gz	SUQUWNYMHYLXFU-RFZPGFLSSA-N	1	0	168.152	1.002	10	5		ADBERO
[NH3+][C@@H]1C[C@H]1c1csc([N+](=O)[O-])c1	37472397	169260202	/nfs/dbraw/zinc/26/02/02/169260202.db2.gz	OUNNDSWSTOYNQJ-NTSWFWBYSA-N	1	0	184.220	1.471	10	5		ADBERO
[NH3+][C@H]1CCc2cc([N+](=O)[O-])ccc2C1	8699659	169275639	/nfs/dbraw/zinc/27/56/39/169275639.db2.gz	NRHVIVNOSFECBW-VIFPVBQESA-N	1	0	192.218	1.411	10	5		ADBERO
[NH3+][C@H]1CCOc2c1cccc2[N+](=O)[O-]	16082976	169275997	/nfs/dbraw/zinc/27/59/97/169275997.db2.gz	BKDAWEVAXYDQDO-ZETCQYMHSA-N	1	0	194.190	1.377	10	5		ADBERO
[NH3+][C@H]1C[C@@H]1c1ccc([N+](=O)[O-])o1	37381602	169277912	/nfs/dbraw/zinc/27/79/12/169277912.db2.gz	SUQUWNYMHYLXFU-WHFBIAKZSA-N	1	0	168.152	1.002	10	5		ADBERO
[NH3+][C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1	37381526	169278080	/nfs/dbraw/zinc/27/80/80/169278080.db2.gz	FGGNZQAIWREEHT-BDAKNGLRSA-N	1	0	178.191	1.409	10	5		ADBERO
[NH3+][C@H]1C[C@@H]1Nc1ccc([N+](=O)[O-])cc1	36267914	169278088	/nfs/dbraw/zinc/27/80/88/169278088.db2.gz	BAISOUPGNDTLFD-IUCAKERBSA-N	1	0	193.206	1.106	10	5		ADBERO
[NH3+][C@H]1C[C@@H]1Nc1cccc([N+](=O)[O-])c1	36267574	169278090	/nfs/dbraw/zinc/27/80/90/169278090.db2.gz	PINXPDNOVJSXNQ-IUCAKERBSA-N	1	0	193.206	1.106	10	5		ADBERO
[NH3+][C@H]1C[C@@H]1Nc1ccccc1[N+](=O)[O-]	36267982	169278153	/nfs/dbraw/zinc/27/81/53/169278153.db2.gz	YGGUHNGBPVBNFA-XPUUQOCRSA-N	1	0	193.206	1.106	10	5		ADBERO
[NH3+][C@H]1C[C@@H]1c1ccc([N+](=O)[O-])cc1	37381533	169278562	/nfs/dbraw/zinc/27/85/62/169278562.db2.gz	YTAGFMUMBRBWAV-BDAKNGLRSA-N	1	0	178.191	1.409	10	5		ADBERO
[NH3+][C@H]1C[C@@H]1c1csc([N+](=O)[O-])c1	37472396	169278675	/nfs/dbraw/zinc/27/86/75/169278675.db2.gz	OUNNDSWSTOYNQJ-RITPCOANSA-N	1	0	184.220	1.471	10	5		ADBERO
[NH3+][C@H]1C[C@H]1Nc1cccc([N+](=O)[O-])c1	36267573	169279175	/nfs/dbraw/zinc/27/91/75/169279175.db2.gz	PINXPDNOVJSXNQ-DTWKUNHWSA-N	1	0	193.206	1.106	10	5		ADBERO
[NH3+][C@H]1C[C@H]1Nc1ccc([N+](=O)[O-])cc1	36267912	169279241	/nfs/dbraw/zinc/27/92/41/169279241.db2.gz	BAISOUPGNDTLFD-DTWKUNHWSA-N	1	0	193.206	1.106	10	5		ADBERO
[NH3+][C@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1	37381531	169279265	/nfs/dbraw/zinc/27/92/65/169279265.db2.gz	YTAGFMUMBRBWAV-IUCAKERBSA-N	1	0	178.191	1.409	10	5		ADBERO
[NH3+][C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1	37381524	169279330	/nfs/dbraw/zinc/27/93/30/169279330.db2.gz	FGGNZQAIWREEHT-IUCAKERBSA-N	1	0	178.191	1.409	10	5		ADBERO
[NH3+][C@H]1C[C@H]1c1ccc([N+](=O)[O-])o1	37381599	169279481	/nfs/dbraw/zinc/27/94/81/169279481.db2.gz	SUQUWNYMHYLXFU-UHNVWZDZSA-N	1	0	168.152	1.002	10	5		ADBERO
[NH3+][C@H]1C[C@H]1c1ccccc1[N+](=O)[O-]	37381547	169279555	/nfs/dbraw/zinc/27/95/55/169279555.db2.gz	XLJUTKNNMIBCGO-YUMQZZPRSA-N	1	0	178.191	1.409	10	5		ADBERO
[NH3+][C@H]1C[C@H]1c1csc([N+](=O)[O-])c1	37472395	169279747	/nfs/dbraw/zinc/27/97/47/169279747.db2.gz	OUNNDSWSTOYNQJ-WDSKDSINSA-N	1	0	184.220	1.471	10	5		ADBERO
[NH3+][C@H]1C[C@H]1Nc1ccccc1[N+](=O)[O-]	36267981	169279848	/nfs/dbraw/zinc/27/98/48/169279848.db2.gz	YGGUHNGBPVBNFA-POYBYMJQSA-N	1	0	193.206	1.106	10	5		ADBERO
[NH3+]C[C@H]1C[C@H]1c1csc([N+](=O)[O-])c1	54587070	169217033	/nfs/dbraw/zinc/21/70/33/169217033.db2.gz	YXFQWYOKEGUSHG-IYSWYEEDSA-N	1	0	198.247	1.719	10	5		ADBERO
[NH3+]C[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1	54561881	169217037	/nfs/dbraw/zinc/21/70/37/169217037.db2.gz	AMEWEADWEINTCF-PSASIEDQSA-N	1	0	192.218	1.657	10	5		ADBERO
[NH3+]C[C@H]1C[C@@H]1c1ccc([N+](=O)[O-])cc1	54561889	169217082	/nfs/dbraw/zinc/21/70/82/169217082.db2.gz	HSIOIBBUTRPUBO-PSASIEDQSA-N	1	0	192.218	1.657	10	5		ADBERO
[NH3+]C[C@H]1C[C@H]1c1ccc([N+](=O)[O-])o1	54586863	169217287	/nfs/dbraw/zinc/21/72/87/169217287.db2.gz	TVYCVRQLWRQBKZ-PHDIDXHHSA-N	1	0	182.179	1.250	10	5		ADBERO
[NH3+]C[C@H]1C[C@H]1c1ccccc1[N+](=O)[O-]	54561902	169217473	/nfs/dbraw/zinc/21/74/73/169217473.db2.gz	XLZIYNIEBCNIOE-VXNVDRBHSA-N	1	0	192.218	1.657	10	5		ADBERO
[NH3+]C[C@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1	54561887	169217601	/nfs/dbraw/zinc/21/76/01/169217601.db2.gz	HSIOIBBUTRPUBO-SCZZXKLOSA-N	1	0	192.218	1.657	10	5		ADBERO
[NH3+]C[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1	54561879	169217604	/nfs/dbraw/zinc/21/76/04/169217604.db2.gz	AMEWEADWEINTCF-SCZZXKLOSA-N	1	0	192.218	1.657	10	5		ADBERO
[NH3+]C[C@H]1C[C@@H]1c1ccc([N+](=O)[O-])o1	54586865	169217784	/nfs/dbraw/zinc/21/77/84/169217784.db2.gz	TVYCVRQLWRQBKZ-RITPCOANSA-N	1	0	182.179	1.250	10	5		ADBERO
[NH3+]C[C@H]1C[C@@H]1c1csc([N+](=O)[O-])c1	54587071	169217808	/nfs/dbraw/zinc/21/78/08/169217808.db2.gz	YXFQWYOKEGUSHG-VDTYLAMSSA-N	1	0	198.247	1.719	10	5		ADBERO
[NH3+]C[C@H]1C[C@@H]1c1ccccc1[N+](=O)[O-]	54561904	169217815	/nfs/dbraw/zinc/21/78/15/169217815.db2.gz	XLZIYNIEBCNIOE-APPZFPTMSA-N	1	0	192.218	1.657	10	5		ADBERO
[NH3+]C[C@H]1Cc2cccc([N+](=O)[O-])c2C1	95077520	169218076	/nfs/dbraw/zinc/21/80/76/169218076.db2.gz	PRBPTKJMEMDFEM-ZETCQYMHSA-N	1	0	192.218	1.268	10	5		ADBERO
O=[N+]([O-])c1cccc([C@H]2CC[NH2+]2)c1	44257295	169413869	/nfs/dbraw/zinc/41/38/69/169413869.db2.gz	FIMIIFSYTYIHKY-SECBINFHSA-N	1	0	178.191	1.629	10	5		ADBERO
C#[N+]c1ccc([N+](=O)[O-])cn1	100059978	169468416	/nfs/dbraw/zinc/46/84/16/169468416.db2.gz	OMQADSPXBPQOFD-UHFFFAOYSA-N	1	0	149.109	1.541	10	5		ADBERO
C[N+](C)(C)c1ccccc1O	1765069	171002941	/nfs/dbraw/zinc/00/29/41/171002941.db2.gz	VDAMZFHTCKFXBJ-UHFFFAOYSA-O	1	0	152.217	1.589	10	5		ADBERO
CC(=O)Nc1cccc([N+](C)(C)C)c1	2034142	171004399	/nfs/dbraw/zinc/00/43/99/171004399.db2.gz	BJTGKIAXWCJQOU-UHFFFAOYSA-O	1	0	193.270	1.842	10	5		ADBERO
C[N+](C)(C)c1ccc(CO)cc1	2580644	171008008	/nfs/dbraw/zinc/00/80/08/171008008.db2.gz	HEYZVWCNZJYENN-UHFFFAOYSA-N	1	0	166.244	1.376	10	5	in-vitro	ADBERO
CC(C)OC(=O)C1=CCC[N+](C)(C)C1	3635716	171009142	/nfs/dbraw/zinc/00/91/42/171009142.db2.gz	DWAFIAHUJOFVTM-UHFFFAOYSA-N	1	0	198.286	1.345	10	5		ADBERO
CN1CC(C)(C)CC[N+]1(C)C	5303113	171016704	/nfs/dbraw/zinc/01/67/04/171016704.db2.gz	VQJJHBCICAQMRP-UHFFFAOYSA-N	1	0	157.281	1.340	10	5		ADBERO
C[N+](C)(C)c1ccc(O)cc1	5764673	171018330	/nfs/dbraw/zinc/01/83/30/171018330.db2.gz	FXKOEYONRSTWCP-UHFFFAOYSA-O	1	0	152.217	1.589	10	5		ADBERO
C[N+]12CCC(CC1)CC2	6068323	171018972	/nfs/dbraw/zinc/01/89/72/171018972.db2.gz	MFQQHFRKVCFEBQ-UHFFFAOYSA-N	1	0	126.223	1.247	10	5		ADBERO
N#[N+]c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	6092171	171019955	/nfs/dbraw/zinc/01/99/55/171019955.db2.gz	DDIRMYDKDGJBIQ-UHFFFAOYSA-N	1	0	195.114	1.988	10	5		ADBERO
C[N+](C)(C)c1cccc([N+](=O)[O-])c1	13605072	171028200	/nfs/dbraw/zinc/02/82/00/171028200.db2.gz	XWUIDCOCPBPGFY-UHFFFAOYSA-N	1	0	181.215	1.792	10	5	in-vivo	ADBERO
C[N+](C)(CCO)CCc1ccccc1	27109450	171045933	/nfs/dbraw/zinc/04/59/33/171045933.db2.gz	MZULFSKTWRQZCY-UHFFFAOYSA-N	1	0	194.298	1.298	10	5		ADBERO
C[N+](C)(CCO)c1ccccc1	26835266	171045949	/nfs/dbraw/zinc/04/59/49/171045949.db2.gz	SFZRJTZNUXMEGD-UHFFFAOYSA-N	1	0	166.244	1.246	10	5		ADBERO
C[N+]1(Cc2ccccc2)CCOCC1	38615443	171048972	/nfs/dbraw/zinc/04/89/72/171048972.db2.gz	FIOMFSLEKCFWBG-UHFFFAOYSA-N	1	0	192.282	1.663	10	5		ADBERO
C[N+]1(C)CCc2ccccc21	38438771	171069288	/nfs/dbraw/zinc/06/92/88/171069288.db2.gz	SKVALMVTNGPJSH-UHFFFAOYSA-N	1	0	148.229	1.810	10	5		ADBERO
CN(C)C(=[NH2+])c1ccc([N+](=O)[O-])cc1	39223063	171077636	/nfs/dbraw/zinc/07/76/36/171077636.db2.gz	WUYAIUBNESKSSY-UHFFFAOYSA-N	1	0	193.206	1.482	10	5		ADBERO
[NH3+]C/C=C/c1cccc([N+](=O)[O-])c1	69049783	171106171	/nfs/dbraw/zinc/10/61/71/171106171.db2.gz	SVBBYRHKASOCNI-DUXPYHPUSA-N	1	0	178.191	1.567	10	5		ADBERO
[NH3+]C1(c2cc([N+](=O)[O-])ccc2F)CC1	75934172	171116473	/nfs/dbraw/zinc/11/64/73/171116473.db2.gz	JHQFUKVTHJQEPX-UHFFFAOYSA-N	1	0	196.181	1.682	10	5		ADBERO
[NH3+]C1(c2ccc([N+](=O)[O-])cc2F)CC1	75934166	171116606	/nfs/dbraw/zinc/11/66/06/171116606.db2.gz	IXYDKMHTUXOVMB-UHFFFAOYSA-N	1	0	196.181	1.682	10	5		ADBERO
[NH3+]C1(c2cccc([N+](=O)[O-])c2)CCC1	95763497	171139193	/nfs/dbraw/zinc/13/91/93/171139193.db2.gz	AHUPVYQFZZQKLN-UHFFFAOYSA-N	1	0	192.218	1.933	10	5		ADBERO
CCNc1ccc(C[NH3+])cc1[N+](=O)[O-]	82530896	171172807	/nfs/dbraw/zinc/17/28/07/171172807.db2.gz	HHXSNEGPJGSUDX-UHFFFAOYSA-N	1	0	195.222	1.485	10	5		ADBERO
C[N+]1(C)C[C@@H]2CCC[C@H](C1)C2=O	214086251	171180293	/nfs/dbraw/zinc/18/02/93/171180293.db2.gz	IWPBJJZMIYNCCR-DTORHVGOSA-N	1	0	168.260	1.062	10	5		ADBERO
[NH3+]C/C=C\c1ccccc1[N+](=O)[O-]	168587441	171212992	/nfs/dbraw/zinc/21/29/92/171212992.db2.gz	GSWGDDFGSAFPKT-HYXAFXHYSA-N	1	0	178.191	1.567	10	5		ADBERO
C[N+](C)(C)c1ccc(C=O)o1	45952237	171218450	/nfs/dbraw/zinc/21/84/50/171218450.db2.gz	LGNCGGFTZYRDDF-UHFFFAOYSA-N	1	0	154.189	1.289	10	5		ADBERO
CC(=O)OCC1CC[N+](C)(C)CC1	33754401	171225699	/nfs/dbraw/zinc/22/56/99/171225699.db2.gz	HUXVCNRIXLFHST-UHFFFAOYSA-N	1	0	186.275	1.036	10	5		ADBERO
C[N+]1([C@H]2CCCOC2)CCCCC1	33853351	171225958	/nfs/dbraw/zinc/22/59/58/171225958.db2.gz	ZRQPPWTWYBUVRM-NSHDSACASA-N	1	0	184.303	1.796	10	5		ADBERO
C[N+]1([C@@H]2CCCOC2)CCCCC1	33853349	171226375	/nfs/dbraw/zinc/22/63/75/171226375.db2.gz	ZRQPPWTWYBUVRM-LLVKDONJSA-N	1	0	184.303	1.796	10	5		ADBERO
[NH3+]CCc1cccc([N+](=O)[O-])c1F	230279053	344630385	/nfs/dbraw/zinc/63/03/85/344630385.db2.gz	JQENEGDEHAENAN-UHFFFAOYSA-N	1	0	184.170	1.235	10	5		ADBERO
[NH3+][C@H]1C[C@@H]1c1ccc([N+](=O)[O-])s1	236318317	344781498	/nfs/dbraw/zinc/78/14/98/344781498.db2.gz	PEKLWGAFUWFHIA-WHFBIAKZSA-N	1	0	184.220	1.471	10	5		ADBERO
COc1cccc([N+](=O)[O-])c1C[NH3+]	238377227	344803895	/nfs/dbraw/zinc/80/38/95/344803895.db2.gz	BXJIUHXXYSRNLU-UHFFFAOYSA-N	1	0	182.179	1.062	10	5		ADBERO
Cc1cccc(C2([NH3+])CC2)c1[N+](=O)[O-]	238546835	344812147	/nfs/dbraw/zinc/81/21/47/344812147.db2.gz	ZQSPSVXVMLVMTF-UHFFFAOYSA-N	1	0	192.218	1.851	10	5		ADBERO
[NH3+]C1(c2ccc(F)cc2[N+](=O)[O-])CC1	238566034	344813277	/nfs/dbraw/zinc/81/32/77/344813277.db2.gz	NNUMINZNKYRSCN-UHFFFAOYSA-N	1	0	196.181	1.682	10	5		ADBERO
CC[N@@+]12CCCC[C@H]1[C@H](CO)CCC2	245311028	344826470	/nfs/dbraw/zinc/82/64/70/344826470.db2.gz	LRRPUHCKSUVOBQ-AVGNSLFASA-N	1	0	198.330	1.778	10	5		ADBERO
Cc1ccc(F)c([N+](=O)[O-])c1C[NH3+]	306913741	345695917	/nfs/dbraw/zinc/69/59/17/345695917.db2.gz	PWFCVZKAXJXGSA-UHFFFAOYSA-N	1	0	184.170	1.501	10	5		ADBERO
Cc1cc(C[NH3+])c(C)c([N+](=O)[O-])c1	306977112	345730070	/nfs/dbraw/zinc/73/00/70/345730070.db2.gz	GFBKPLZGKSXXQC-UHFFFAOYSA-N	1	0	180.207	1.670	10	5		ADBERO
Cc1cc([N+](=O)[O-])c(F)cc1C[NH3+]	307034664	345768492	/nfs/dbraw/zinc/76/84/92/345768492.db2.gz	VURHXPNICSJTSM-UHFFFAOYSA-N	1	0	184.170	1.501	10	5		ADBERO
Cc1cccc([N+](=O)[O-])c1C1([NH3+])CC1	307110457	345815828	/nfs/dbraw/zinc/81/58/28/345815828.db2.gz	NQBUXHSHRPHOIR-UHFFFAOYSA-N	1	0	192.218	1.851	10	5		ADBERO
C[N+](C)(C)Cc1ccc(O)cc1	59586779	290739195	/nfs/dbraw/zinc/73/91/95/290739195.db2.gz	DRCGIMLIHAOUCP-UHFFFAOYSA-O	1	0	166.244	1.598	10	5	biogenic,in-vitro	ADBERO
C[N+]12CCN(CC1)c1ccccc12	236759	325595107	/nfs/dbraw/zinc/59/51/07/325595107.db2.gz	JYNABBWFIOVMBD-UHFFFAOYSA-N	1	0	175.255	1.457	10	5		ADBERO
C[N+](C)(C)c1cccc(N)c1	403610	342938597	/nfs/dbraw/zinc/93/85/97/342938597.db2.gz	LMLUMAXYHUEBJH-UHFFFAOYSA-N	1	0	151.233	1.466	10	5		ADBERO
C[N+](C)(C)CCOc1ccccc1	1446433	342945731	/nfs/dbraw/zinc/94/57/31/342945731.db2.gz	VCXBSHBJVUIQHJ-UHFFFAOYSA-N	1	0	180.271	1.772	10	5		ADBERO
CCCCC(=O)OCC[N+](C)(C)C	1569575	342948083	/nfs/dbraw/zinc/94/80/83/342948083.db2.gz	NDWNNGOMAATBHL-UHFFFAOYSA-N	1	0	188.291	1.426	10	5		ADBERO
C[N+](C)(C)c1cccc(C=O)c1	1998825	342965925	/nfs/dbraw/zinc/96/59/25/342965925.db2.gz	TYMMFOGNDQOMPE-UHFFFAOYSA-N	1	0	164.228	1.696	10	5		ADBERO
C[N+](C)(C)Cc1ccc(CO)cc1	2509803	342973050	/nfs/dbraw/zinc/97/30/50/342973050.db2.gz	NBTRMTNSTRKWLZ-UHFFFAOYSA-N	1	0	180.271	1.385	10	5	in-vitro	ADBERO
CCC(=O)S[C@@H](C)C[N+](C)(C)C	2509991	342973072	/nfs/dbraw/zinc/97/30/72/342973072.db2.gz	OEZLDQCKRRAYHM-QMMMGPOBSA-N	1	0	190.332	1.751	10	5		ADBERO
C[N+](C)(C)c1ccc([N+](=O)[O-])cc1	5764676	343007993	/nfs/dbraw/zinc/00/79/93/343007993.db2.gz	TVNCBHOGHRNADZ-UHFFFAOYSA-N	1	0	181.215	1.792	10	5		ADBERO
C[C@@H]1CCC[N+]1(C)C	14984407	343040689	/nfs/dbraw/zinc/04/06/89/343040689.db2.gz	BAJXCBJYFBUTCH-SSDOTTSWSA-N	1	0	114.212	1.245	10	5		ADBERO
C[C@H]1CCC[N+]1(C)C	14984409	343040725	/nfs/dbraw/zinc/04/07/25/343040725.db2.gz	BAJXCBJYFBUTCH-ZETCQYMHSA-N	1	0	114.212	1.245	10	5		ADBERO
CCC(=O)S[C@H](C)C[N+](C)(C)C	20232638	343069988	/nfs/dbraw/zinc/06/99/88/343069988.db2.gz	OEZLDQCKRRAYHM-MRVPVSSYSA-N	1	0	190.332	1.751	10	5		ADBERO
CC(C)(C)[N+](C)(C)C	34239033	343114685	/nfs/dbraw/zinc/11/46/85/343114685.db2.gz	SPJZSTLXABSXII-UHFFFAOYSA-N	1	0	116.228	1.491	10	5		ADBERO
Cc1cc(NCC[NH3+])ccc1[N+](=O)[O-]	35277215	343130906	/nfs/dbraw/zinc/13/09/06/343130906.db2.gz	VRJSROQYFAFCRT-UHFFFAOYSA-N	1	0	195.222	1.274	10	5		ADBERO
[NH3+][C@H]1C[C@@H]1c1ccccc1[N+](=O)[O-]	37381549	343167311	/nfs/dbraw/zinc/16/73/11/343167311.db2.gz	XLJUTKNNMIBCGO-SFYZADRCSA-N	1	0	178.191	1.409	10	5		ADBERO
C1CC[N+]2(CC1)CCOCC2	39253476	343208522	/nfs/dbraw/zinc/20/85/22/343208522.db2.gz	PPHZMBKDKDECCX-UHFFFAOYSA-N	1	0	156.249	1.017	10	5		ADBERO
CC1CC[N+](C)(C)CC1	39350539	343211080	/nfs/dbraw/zinc/21/10/80/343211080.db2.gz	QGPZDPSAJMSGES-UHFFFAOYSA-N	1	0	128.239	1.493	10	5		ADBERO
Cc1cccc([N+](=O)[O-])c1C[NH3+]	44236420	343262686	/nfs/dbraw/zinc/26/26/86/343262686.db2.gz	BZMAOPCPKFKZNH-UHFFFAOYSA-N	1	0	166.180	1.362	10	5		ADBERO
C[NH+](C)Cc1cc([N+](=O)[O-])ccc1N	50792922	343285905	/nfs/dbraw/zinc/28/59/05/343285905.db2.gz	GTCWCVIVKTWXEF-UHFFFAOYSA-N	1	0	195.222	1.239	10	5		ADBERO
CC[N+](CC)(CC)C[C@H]1CO1	59300117	343343821	/nfs/dbraw/zinc/34/38/21/343343821.db2.gz	UDDGCPMRVYLGCU-VIFPVBQESA-N	1	0	158.265	1.262	10	5		ADBERO
CC[N+](CC)(CC)C[C@@H]1CO1	59300116	343343824	/nfs/dbraw/zinc/34/38/24/343343824.db2.gz	UDDGCPMRVYLGCU-SECBINFHSA-N	1	0	158.265	1.262	10	5		ADBERO
Cc1c(NCC[NH3+])cccc1[N+](=O)[O-]	62723630	343378854	/nfs/dbraw/zinc/37/88/54/343378854.db2.gz	CULWZIFMMCWFMU-UHFFFAOYSA-N	1	0	195.222	1.274	10	5		ADBERO
CNC(=[NH2+])c1ccccc1[N+](=O)[O-]	62994532	343395320	/nfs/dbraw/zinc/39/53/20/343395320.db2.gz	XMQZDADGKAXGAY-UHFFFAOYSA-N	1	0	179.179	1.140	10	5		ADBERO
CCNC(=[NH2+])c1ccccc1[N+](=O)[O-]	62994607	343395329	/nfs/dbraw/zinc/39/53/29/343395329.db2.gz	TXAQZJTWDCMSTI-UHFFFAOYSA-N	1	0	193.206	1.530	10	5		ADBERO
C[C@H]([NH3+])Cc1ccc([N+](=O)[O-])cc1F	63024766	343397362	/nfs/dbraw/zinc/39/73/62/343397362.db2.gz	WBMONTHRIHXDMK-LURJTMIESA-N	1	0	198.197	1.624	10	5		ADBERO
C[C@@H]([NH3+])Cc1ccc([N+](=O)[O-])cc1F	63024767	343397380	/nfs/dbraw/zinc/39/73/80/343397380.db2.gz	WBMONTHRIHXDMK-ZCFIWIBFSA-N	1	0	198.197	1.624	10	5		ADBERO
CN(C)c1ccc([N+](C)(C)C)cc1	67732095	343410905	/nfs/dbraw/zinc/41/09/05/343410905.db2.gz	AOUOBLWOQDZLSF-UHFFFAOYSA-N	1	0	179.287	1.949	10	5		ADBERO
Cc1cc(C[NH+](C)C)ccc1[N+](=O)[O-]	71257114	343551860	/nfs/dbraw/zinc/55/18/60/343551860.db2.gz	PLFZZZHFLFMZOZ-UHFFFAOYSA-N	1	0	194.234	1.965	10	5		ADBERO
O=[N+]([O-])c1ccc(C[NH+]2CCC2)cc1	79427793	343588736	/nfs/dbraw/zinc/58/87/36/343588736.db2.gz	LNPHQJHJCPPYNQ-UHFFFAOYSA-N	1	0	192.218	1.801	10	5		ADBERO
C[C@H](C[NH3+])Nc1ccccc1[N+](=O)[O-]	82584564	343606747	/nfs/dbraw/zinc/60/67/47/343606747.db2.gz	YCOFIVHWDUYWPF-SSDOTTSWSA-N	1	0	195.222	1.354	10	5		ADBERO
C[C@@H]([NH3+])CNc1ccccc1[N+](=O)[O-]	82575303	343606843	/nfs/dbraw/zinc/60/68/43/343606843.db2.gz	XQCHVQYHXSMZAI-SSDOTTSWSA-N	1	0	195.222	1.354	10	5		ADBERO
C[C@H]([NH3+])CNc1ccccc1[N+](=O)[O-]	82575300	343606878	/nfs/dbraw/zinc/60/68/78/343606878.db2.gz	XQCHVQYHXSMZAI-ZETCQYMHSA-N	1	0	195.222	1.354	10	5		ADBERO
Cc1ccc([N+](=O)[O-])c(NCC[NH3+])c1	87150558	343657887	/nfs/dbraw/zinc/65/78/87/343657887.db2.gz	OIBXLUOOVYXLKX-UHFFFAOYSA-N	1	0	195.222	1.274	10	5		ADBERO
CC[N+](C#N)(CC)CC	114038020	343761684	/nfs/dbraw/zinc/76/16/84/343761684.db2.gz	ZDVOVXJBWWKMSA-UHFFFAOYSA-N	1	0	127.211	1.344	10	5		ADBERO
Cc1cccc([N+](=O)[O-])c1NCC[NH3+]	125690329	343791403	/nfs/dbraw/zinc/79/14/03/343791403.db2.gz	YJLGBTZBMOVMCT-UHFFFAOYSA-N	1	0	195.222	1.274	10	5		ADBERO
Cc1cc(NN(C)C)[nH+]cc1[N+](=O)[O-]	148183927	344050028	/nfs/dbraw/zinc/05/00/28/344050028.db2.gz	AGDBPCXFIZETDJ-UHFFFAOYSA-N	1	0	196.210	1.187	10	5		ADBERO
Cc1[nH+]c(NN(C)C)ccc1[N+](=O)[O-]	148211188	344050539	/nfs/dbraw/zinc/05/05/39/344050539.db2.gz	DZDQAAUNCYSAIW-UHFFFAOYSA-N	1	0	196.210	1.187	10	5		ADBERO
Cc1c[nH]c(=NN(C)C)c([N+](=O)[O-])c1	148203120	344050929	/nfs/dbraw/zinc/05/09/29/344050929.db2.gz	DVKQWDSSSKDDRY-UHFFFAOYSA-N	1	0	196.210	1.187	10	5		ADBERO
C[NH2+]Cc1cc(F)cc([N+](=O)[O-])c1	159848196	344153021	/nfs/dbraw/zinc/15/30/21/344153021.db2.gz	YEDMWYHBLFYBGU-UHFFFAOYSA-N	1	0	184.170	1.453	10	5		ADBERO
C[C@@H]([NH3+])Cc1cc(F)cc([N+](=O)[O-])c1	159874156	344153473	/nfs/dbraw/zinc/15/34/73/344153473.db2.gz	QBRZZNVTFSHLFM-ZCFIWIBFSA-N	1	0	198.197	1.624	10	5		ADBERO
C[C@H]([NH3+])Cc1cc(F)cc([N+](=O)[O-])c1	159874028	344153523	/nfs/dbraw/zinc/15/35/23/344153523.db2.gz	QBRZZNVTFSHLFM-LURJTMIESA-N	1	0	198.197	1.624	10	5		ADBERO
CNc1ccc(C[NH2+]C)cc1[N+](=O)[O-]	163865710	344231670	/nfs/dbraw/zinc/23/16/70/344231670.db2.gz	SNSPCOZOEAQBBQ-UHFFFAOYSA-N	1	0	195.222	1.356	10	5		ADBERO
[NH3+]Cc1ccc([N+](=O)[O-])c(F)c1F	218155188	344410268	/nfs/dbraw/zinc/41/02/68/344410268.db2.gz	NAZVHVOKFPLCTP-UHFFFAOYSA-N	1	0	188.133	1.332	10	5		ADBERO
CC[N+](C)(C)c1ccncc1	225920101	344489425	/nfs/dbraw/zinc/48/94/25/344489425.db2.gz	ROSRZIOSDVGDDZ-UHFFFAOYSA-N	1	0	151.233	1.668	10	5		ADBERO
Cc1cnc(C[NH3+])c(C)c1[N+](=O)[O-]	232240865	344673374	/nfs/dbraw/zinc/67/33/74/344673374.db2.gz	IVJHRJBYQKSBDY-UHFFFAOYSA-N	1	0	181.195	1.065	10	5		ADBERO
Cc1cccc(NCC[NH3+])c1[N+](=O)[O-]	235785466	344766481	/nfs/dbraw/zinc/76/64/81/344766481.db2.gz	RBOHVWINCIZRFK-UHFFFAOYSA-N	1	0	195.222	1.274	10	5		ADBERO
[NH3+]C/C=C/c1cc([N+](=O)[O-])ccc1F	236183049	344776737	/nfs/dbraw/zinc/77/67/37/344776737.db2.gz	YSQUNLHOEBHEBH-OWOJBTEDSA-N	1	0	196.181	1.706	10	5		ADBERO
[NH3+][C@@H]1C[C@@H]1c1ccc([N+](=O)[O-])s1	236305754	344780483	/nfs/dbraw/zinc/78/04/83/344780483.db2.gz	PEKLWGAFUWFHIA-CRCLSJGQSA-N	1	0	184.220	1.471	10	5		ADBERO
[NH3+][C@@H]1C[C@H]1c1ccc([N+](=O)[O-])s1	236308003	344780726	/nfs/dbraw/zinc/78/07/26/344780726.db2.gz	PEKLWGAFUWFHIA-RFZPGFLSSA-N	1	0	184.220	1.471	10	5		ADBERO
[NH3+][C@H]1C[C@H]1c1ccc([N+](=O)[O-])s1	236320359	344781456	/nfs/dbraw/zinc/78/14/56/344781456.db2.gz	PEKLWGAFUWFHIA-UHNVWZDZSA-N	1	0	184.220	1.471	10	5		ADBERO
CC(C)([NH3+])c1cc(F)ccc1[N+](=O)[O-]	238150438	344794006	/nfs/dbraw/zinc/79/40/06/344794006.db2.gz	PCODCDDERZJNPC-UHFFFAOYSA-N	1	0	198.197	1.928	10	5		ADBERO
CC(C)([NH3+])c1ccc(F)cc1[N+](=O)[O-]	238153202	344794044	/nfs/dbraw/zinc/79/40/44/344794044.db2.gz	UUTAFQCSWQXBOG-UHFFFAOYSA-N	1	0	198.197	1.928	10	5		ADBERO
COc1c(C[NH3+])cccc1[N+](=O)[O-]	238382688	344804289	/nfs/dbraw/zinc/80/42/89/344804289.db2.gz	NMRHHIRYVNKGOF-UHFFFAOYSA-N	1	0	182.179	1.062	10	5		ADBERO
Cc1ccc(C2([NH3+])CC2)c([N+](=O)[O-])c1	238474976	344808406	/nfs/dbraw/zinc/80/84/06/344808406.db2.gz	IHJOTYIZGOVPNT-UHFFFAOYSA-N	1	0	192.218	1.851	10	5		ADBERO
Cc1ccc([C@@H]([NH3+])CF)cc1[N+](=O)[O-]	238478753	344808488	/nfs/dbraw/zinc/80/84/88/344808488.db2.gz	ICKXJKKCNAHEQG-QMMMGPOBSA-N	1	0	198.197	1.873	10	5		ADBERO
Cc1ccc([C@H]([NH3+])CF)cc1[N+](=O)[O-]	238488888	344808861	/nfs/dbraw/zinc/80/88/61/344808861.db2.gz	ICKXJKKCNAHEQG-MRVPVSSYSA-N	1	0	198.197	1.873	10	5		ADBERO
Cc1ccc([N+](=O)[O-])c(C)c1C[NH3+]	238504748	344809780	/nfs/dbraw/zinc/80/97/80/344809780.db2.gz	DLZDZTKJSKEZFV-UHFFFAOYSA-N	1	0	180.207	1.670	10	5		ADBERO
Cc1cc([N+](=O)[O-])ccc1C1([NH3+])CC1	238553642	344812478	/nfs/dbraw/zinc/81/24/78/344812478.db2.gz	AVLJSCKHPLNDIR-UHFFFAOYSA-N	1	0	192.218	1.851	10	5		ADBERO
[NH3+]C1(c2cc(F)ccc2[N+](=O)[O-])CC1	238562285	344812788	/nfs/dbraw/zinc/81/27/88/344812788.db2.gz	KIHSHBLOKPLORJ-UHFFFAOYSA-N	1	0	196.181	1.682	10	5		ADBERO
[NH3+]CCc1ccc([N+](=O)[O-])cc1F	238573076	344813992	/nfs/dbraw/zinc/81/39/92/344813992.db2.gz	DNLJGCROTRVNQZ-UHFFFAOYSA-N	1	0	184.170	1.235	10	5		ADBERO
C[N@+]12CCCC[C@H]1[C@@H](CO)CCC2	245298175	344826427	/nfs/dbraw/zinc/82/64/27/344826427.db2.gz	YAUVTYWHVQNESX-GRYCIOLGSA-N	1	0	184.303	1.388	10	5	biogenic	ADBERO
C[N@+]12CCCC[C@@H]1[C@@H](CO)CCC2	245298177	344826435	/nfs/dbraw/zinc/82/64/35/344826435.db2.gz	YAUVTYWHVQNESX-IJLUTSLNSA-N	1	0	184.303	1.388	10	5	biogenic	ADBERO
C[N@+]12CCCC[C@H]1[C@@H](CCO)CCC2	253393370	344933711	/nfs/dbraw/zinc/93/37/11/344933711.db2.gz	GCMCDBVXBVNWAL-FRRDWIJNSA-N	1	0	198.330	1.778	10	5	biogenic	ADBERO
C[N@@+]12CCCC[C@H]1[C@@H](CCO)CCC2	253393369	344933930	/nfs/dbraw/zinc/93/39/30/344933930.db2.gz	GCMCDBVXBVNWAL-AGIUHOORSA-N	1	0	198.330	1.778	10	5		ADBERO
C[N@@+]12CCCC[C@@H]1[C@@H](CCO)CCC2	253393372	344934104	/nfs/dbraw/zinc/93/41/04/344934104.db2.gz	GCMCDBVXBVNWAL-UPJWGTAASA-N	1	0	198.330	1.778	10	5		ADBERO
[NH3+]C1(c2c(F)cccc2[N+](=O)[O-])CC1	306159835	345050119	/nfs/dbraw/zinc/05/01/19/345050119.db2.gz	FESOWOVOAWSRBO-UHFFFAOYSA-N	1	0	196.181	1.682	10	5		ADBERO
CC(C)([NH3+])c1ccncc1[N+](=O)[O-]	306160467	345051025	/nfs/dbraw/zinc/05/10/25/345051025.db2.gz	MLANAQVRYZXLMY-UHFFFAOYSA-N	1	0	181.195	1.184	10	5		ADBERO
Cc1cnc(C(C)(C)[NH3+])cc1[N+](=O)[O-]	306205779	345094943	/nfs/dbraw/zinc/09/49/43/345094943.db2.gz	OXUMVIUSLKGXGP-UHFFFAOYSA-N	1	0	195.222	1.492	10	5		ADBERO
Cc1cc([N+](=O)[O-])cnc1C(C)(C)[NH3+]	306220592	345113654	/nfs/dbraw/zinc/11/36/54/345113654.db2.gz	HYCDMKARWNAZGB-UHFFFAOYSA-N	1	0	195.222	1.492	10	5		ADBERO
Cc1cc(C(C)(C)[NH3+])ncc1[N+](=O)[O-]	306232839	345126560	/nfs/dbraw/zinc/12/65/60/345126560.db2.gz	CQZKCGILBVKXAS-UHFFFAOYSA-N	1	0	195.222	1.492	10	5		ADBERO
[NH3+]C1(c2ncccc2[N+](=O)[O-])CCC1	306238893	345131577	/nfs/dbraw/zinc/13/15/77/345131577.db2.gz	PTUPHNDTGYETFY-UHFFFAOYSA-N	1	0	193.206	1.328	10	5		ADBERO
Cc1cnc(C2([NH3+])CC2)c([N+](=O)[O-])c1	306244747	345136380	/nfs/dbraw/zinc/13/63/80/345136380.db2.gz	PPQKFQJVINQQBT-UHFFFAOYSA-N	1	0	193.206	1.246	10	5		ADBERO
CC[C@@](C)([NH3+])c1cc([N+](=O)[O-])ccn1	306249843	345141332	/nfs/dbraw/zinc/14/13/32/345141332.db2.gz	RGRBFSHUOPBVJJ-SECBINFHSA-N	1	0	195.222	1.574	10	5		ADBERO
CC[C@](C)([NH3+])c1cc([N+](=O)[O-])ccn1	306249844	345141561	/nfs/dbraw/zinc/14/15/61/345141561.db2.gz	RGRBFSHUOPBVJJ-VIFPVBQESA-N	1	0	195.222	1.574	10	5		ADBERO
[NH3+]CCNc1c(F)cccc1[N+](=O)[O-]	306252366	345144351	/nfs/dbraw/zinc/14/43/51/345144351.db2.gz	VEANLXFCFJPPOR-UHFFFAOYSA-N	1	0	199.185	1.105	10	5		ADBERO
Cc1ccc([N+](=O)[O-])c(C2([NH3+])CC2)c1	306311711	345190869	/nfs/dbraw/zinc/19/08/69/345190869.db2.gz	JZAAZROACFOZPW-UHFFFAOYSA-N	1	0	192.218	1.851	10	5		ADBERO
[NH3+]Cc1c(F)ccc(F)c1[N+](=O)[O-]	306515625	345386422	/nfs/dbraw/zinc/38/64/22/345386422.db2.gz	DVRURQPNXHFCOP-UHFFFAOYSA-N	1	0	188.133	1.332	10	5		ADBERO
[NH3+]Cc1ccc(F)c([N+](=O)[O-])c1F	306523840	345395993	/nfs/dbraw/zinc/39/59/93/345395993.db2.gz	VKOGYPWTRZKNRN-UHFFFAOYSA-N	1	0	188.133	1.332	10	5		ADBERO
Cc1cc([N+](=O)[O-])c(C[NH3+])cc1F	306561256	345437222	/nfs/dbraw/zinc/43/72/22/345437222.db2.gz	SNMRLYVPLUPUKC-UHFFFAOYSA-N	1	0	184.170	1.501	10	5		ADBERO
Cc1cc(C[NH3+])c([N+](=O)[O-])cc1C	306613978	345487562	/nfs/dbraw/zinc/48/75/62/345487562.db2.gz	ABHKLUKBFDAFDB-UHFFFAOYSA-N	1	0	180.207	1.670	10	5		ADBERO
Cc1cc(F)cc([N+](=O)[O-])c1C[NH3+]	306637671	345506126	/nfs/dbraw/zinc/50/61/26/345506126.db2.gz	FTZCDQBBTAPNMJ-UHFFFAOYSA-N	1	0	184.170	1.501	10	5		ADBERO
Cc1cc(C)c(C[NH3+])c([N+](=O)[O-])c1	306717357	345569521	/nfs/dbraw/zinc/56/95/21/345569521.db2.gz	HOGXSLWOYNJGEZ-UHFFFAOYSA-N	1	0	180.207	1.670	10	5		ADBERO
Cc1cc(C)c([N+](=O)[O-])c(C[NH3+])c1	306785749	345613334	/nfs/dbraw/zinc/61/33/34/345613334.db2.gz	OJRGZOKSAMCPRH-UHFFFAOYSA-N	1	0	180.207	1.670	10	5		ADBERO
Cc1ccc(C[NH3+])c([N+](=O)[O-])c1C	306788934	345615525	/nfs/dbraw/zinc/61/55/25/345615525.db2.gz	SHHSZRUQHILWTA-UHFFFAOYSA-N	1	0	180.207	1.670	10	5		ADBERO
Cc1ccc(C[NH3+])c(F)c1[N+](=O)[O-]	306878450	345674925	/nfs/dbraw/zinc/67/49/25/345674925.db2.gz	FJZZGGAENRQQJC-UHFFFAOYSA-N	1	0	184.170	1.501	10	5		ADBERO
[NH3+]Cc1ccc(F)c(F)c1[N+](=O)[O-]	306901279	345691568	/nfs/dbraw/zinc/69/15/68/345691568.db2.gz	NOWVFCJFYNCZCB-UHFFFAOYSA-N	1	0	188.133	1.332	10	5		ADBERO
Cc1ccc([N+](=O)[O-])c(F)c1C[NH3+]	306906501	345694365	/nfs/dbraw/zinc/69/43/65/345694365.db2.gz	ZLVRHWCACYYAPS-UHFFFAOYSA-N	1	0	184.170	1.501	10	5		ADBERO
Cc1c(C[NH3+])ccc([N+](=O)[O-])c1F	306916241	345696933	/nfs/dbraw/zinc/69/69/33/345696933.db2.gz	WWNSKFXRKVXZLD-UHFFFAOYSA-N	1	0	184.170	1.501	10	5		ADBERO
[NH3+]C1(c2ccsc2[N+](=O)[O-])CC1	306995896	345741166	/nfs/dbraw/zinc/74/11/66/345741166.db2.gz	RHKLAUVTLHKNHQ-UHFFFAOYSA-N	1	0	184.220	1.604	10	5		ADBERO
Cc1ccc(F)c(C[NH3+])c1[N+](=O)[O-]	307029704	345765563	/nfs/dbraw/zinc/76/55/63/345765563.db2.gz	OPPNYEHJTROXNG-UHFFFAOYSA-N	1	0	184.170	1.501	10	5		ADBERO
Cc1cc([N+](=O)[O-])cc(F)c1C[NH3+]	307035391	345768722	/nfs/dbraw/zinc/76/87/22/345768722.db2.gz	WWQAZQTZANONMY-UHFFFAOYSA-N	1	0	184.170	1.501	10	5		ADBERO
Cc1cc([N+](=O)[O-])cc(C)c1C[NH3+]	307050869	345779339	/nfs/dbraw/zinc/77/93/39/345779339.db2.gz	MCEMIERIHIRFOO-UHFFFAOYSA-N	1	0	180.207	1.670	10	5		ADBERO
Cc1cc(C[NH3+])c([N+](=O)[O-])cc1F	307062288	345787191	/nfs/dbraw/zinc/78/71/91/345787191.db2.gz	NKUVRJVDIUYYGS-UHFFFAOYSA-N	1	0	184.170	1.501	10	5		ADBERO
Cc1c(C[NH3+])ccc(F)c1[N+](=O)[O-]	307062833	345787621	/nfs/dbraw/zinc/78/76/21/345787621.db2.gz	ORHPAQDDPUDZEF-UHFFFAOYSA-N	1	0	184.170	1.501	10	5		ADBERO
[NH3+]C1(c2ccsc2[N+](=O)[O-])CCC1	307082594	345800223	/nfs/dbraw/zinc/80/02/23/345800223.db2.gz	URVNZZCEEBXYQX-UHFFFAOYSA-N	1	0	198.247	1.994	10	5		ADBERO
CC(C)([NH3+])c1ccc([N+](=O)[O-])cn1	307089103	345803679	/nfs/dbraw/zinc/80/36/79/345803679.db2.gz	NZLGBVOYNHSJMO-UHFFFAOYSA-N	1	0	181.195	1.184	10	5		ADBERO
Cc1c([N+](=O)[O-])ccc(F)c1C[NH3+]	307112098	345816120	/nfs/dbraw/zinc/81/61/20/345816120.db2.gz	PHENXPFGYGUECD-UHFFFAOYSA-N	1	0	184.170	1.501	10	5		ADBERO
Cc1cc(C[NH3+])cc([N+](=O)[O-])c1F	307112508	345817068	/nfs/dbraw/zinc/81/70/68/345817068.db2.gz	QCBHJFTWSMNIFH-UHFFFAOYSA-N	1	0	184.170	1.501	10	5		ADBERO
CC(C)([NH3+])c1cc([N+](=O)[O-])ccn1	307120561	345820701	/nfs/dbraw/zinc/82/07/01/345820701.db2.gz	HWJLLTFCAHVQOZ-UHFFFAOYSA-N	1	0	181.195	1.184	10	5		ADBERO
Cc1cc(F)c(C[NH3+])cc1[N+](=O)[O-]	307120638	345820926	/nfs/dbraw/zinc/82/09/26/345820926.db2.gz	JAAZMSFYMOSFHC-UHFFFAOYSA-N	1	0	184.170	1.501	10	5		ADBERO
Cc1ccc(C)c([N+](=O)[O-])c1C[NH3+]	307128909	345826664	/nfs/dbraw/zinc/82/66/64/345826664.db2.gz	POCWUTVLTLDCGL-UHFFFAOYSA-N	1	0	180.207	1.670	10	5		ADBERO
CC(C)([NH3+])c1ccc([N+](=O)[O-])nc1	307172739	345864088	/nfs/dbraw/zinc/86/40/88/345864088.db2.gz	NJWQIHDHNOIWPG-UHFFFAOYSA-N	1	0	181.195	1.184	10	5		ADBERO
Cc1c([N+](=O)[O-])ccc(C[NH3+])c1F	307184227	345873050	/nfs/dbraw/zinc/87/30/50/345873050.db2.gz	DYGWFMMLCAOQLY-UHFFFAOYSA-N	1	0	184.170	1.501	10	5		ADBERO
[NH3+]C1(c2ccc([N+](=O)[O-])cn2)CCC1	307186605	345874506	/nfs/dbraw/zinc/87/45/06/345874506.db2.gz	MPAUPJRZXZNKOZ-UHFFFAOYSA-N	1	0	193.206	1.328	10	5		ADBERO
Cc1cc(F)c(C[NH3+])c([N+](=O)[O-])c1	307191269	345877230	/nfs/dbraw/zinc/87/72/30/345877230.db2.gz	ZGAZJQBLHXOUAV-UHFFFAOYSA-N	1	0	184.170	1.501	10	5		ADBERO
Cc1cc(C[NH3+])c(F)c([N+](=O)[O-])c1	307303555	345957349	/nfs/dbraw/zinc/95/73/49/345957349.db2.gz	PMSWMTIDKOWYGR-UHFFFAOYSA-N	1	0	184.170	1.501	10	5		ADBERO
Cc1cc(F)c([N+](=O)[O-])c(C[NH3+])c1	307307885	345960423	/nfs/dbraw/zinc/96/04/23/345960423.db2.gz	WBHORNKGQRJMRA-UHFFFAOYSA-N	1	0	184.170	1.501	10	5		ADBERO
Cc1c(F)cc([N+](=O)[O-])cc1C[NH3+]	307307841	345960462	/nfs/dbraw/zinc/96/04/62/345960462.db2.gz	NJPXZALGVUXVHC-UHFFFAOYSA-N	1	0	184.170	1.501	10	5		ADBERO
Cc1cc([N+](=O)[O-])c(C)cc1C[NH3+]	307307199	345960680	/nfs/dbraw/zinc/96/06/80/345960680.db2.gz	LKDAMVHXSPMPRT-UHFFFAOYSA-N	1	0	180.207	1.670	10	5		ADBERO
Cc1cc(C[NH3+])c(F)cc1[N+](=O)[O-]	307315028	345965525	/nfs/dbraw/zinc/96/55/25/345965525.db2.gz	WQBAGKQCXQBSAW-UHFFFAOYSA-N	1	0	184.170	1.501	10	5		ADBERO
Cc1ccc(C[NH3+])c([N+](=O)[O-])c1F	307434769	346038710	/nfs/dbraw/zinc/03/87/10/346038710.db2.gz	PFEIDUVEMDKYGQ-UHFFFAOYSA-N	1	0	184.170	1.501	10	5		ADBERO
Cc1cc(C2([NH3+])CC2)ncc1[N+](=O)[O-]	307546533	346104376	/nfs/dbraw/zinc/10/43/76/346104376.db2.gz	ZRWHPZNANOGTSR-UHFFFAOYSA-N	1	0	193.206	1.246	10	5		ADBERO
CC(C)([NH3+])c1ccsc1[N+](=O)[O-]	307605436	346142325	/nfs/dbraw/zinc/14/23/25/346142325.db2.gz	YMSKFHGYVBFWCB-UHFFFAOYSA-N	1	0	186.236	1.850	10	5		ADBERO
Cc1c(F)ccc(C[NH3+])c1[N+](=O)[O-]	307642858	346164299	/nfs/dbraw/zinc/16/42/99/346164299.db2.gz	NHXYYNHJLPALGU-UHFFFAOYSA-N	1	0	184.170	1.501	10	5		ADBERO
Cc1c(F)ccc([N+](=O)[O-])c1C[NH3+]	307665743	346172173	/nfs/dbraw/zinc/17/21/73/346172173.db2.gz	BSXQNPGNDIQAGA-UHFFFAOYSA-N	1	0	184.170	1.501	10	5		ADBERO
Cc1cc(F)cc(C[NH3+])c1[N+](=O)[O-]	307671864	346175571	/nfs/dbraw/zinc/17/55/71/346175571.db2.gz	VFJMHGLBLGENCH-UHFFFAOYSA-N	1	0	184.170	1.501	10	5		ADBERO
O=[N+]([O-])c1sccc1NC1C[NH2+]C1	307723237	346203669	/nfs/dbraw/zinc/20/36/69/346203669.db2.gz	UNPRCJRUYILMPM-UHFFFAOYSA-N	1	0	199.235	1.040	10	5		ADBERO
Cc1cc(C2([NH3+])CC2)ccc1[N+](=O)[O-]	307743798	346214721	/nfs/dbraw/zinc/21/47/21/346214721.db2.gz	MYSINMVFBVEKBA-UHFFFAOYSA-N	1	0	192.218	1.851	10	5		ADBERO
Cc1cc(F)c([N+](=O)[O-])cc1C[NH3+]	307753408	346222351	/nfs/dbraw/zinc/22/23/51/346222351.db2.gz	VQYCXDQGRPVKKN-UHFFFAOYSA-N	1	0	184.170	1.501	10	5		ADBERO
O=[N+]([O-])c1cccc(C[C@H]2CC[NH2+]2)c1	584591708	346719175	/nfs/dbraw/zinc/71/91/75/346719175.db2.gz	FYNFPCPIDSSJDU-SECBINFHSA-N	1	0	192.218	1.499	10	5		ADBERO
O=[N+]([O-])c1cccc(C[C@@H]2CC[NH2+]2)c1	584591710	346719196	/nfs/dbraw/zinc/71/91/96/346719196.db2.gz	FYNFPCPIDSSJDU-VIFPVBQESA-N	1	0	192.218	1.499	10	5		ADBERO
O=[N+]([O-])c1ccc(C[C@H]2CC[NH2+]2)cc1	584591618	346719395	/nfs/dbraw/zinc/71/93/95/346719395.db2.gz	APQPMWPZVYYFBR-SECBINFHSA-N	1	0	192.218	1.499	10	5		ADBERO
O=[N+]([O-])c1ccccc1C[C@@H]1CC[NH2+]1	584591815	346719456	/nfs/dbraw/zinc/71/94/56/346719456.db2.gz	NNBFLZVXYWDTJJ-VIFPVBQESA-N	1	0	192.218	1.499	10	5		ADBERO
O=[N+]([O-])c1ccccc1C[C@H]1CC[NH2+]1	584591814	346719481	/nfs/dbraw/zinc/71/94/81/346719481.db2.gz	NNBFLZVXYWDTJJ-SECBINFHSA-N	1	0	192.218	1.499	10	5		ADBERO
O=[N+]([O-])c1ccc(C[C@@H]2CC[NH2+]2)cc1	584591622	346719485	/nfs/dbraw/zinc/71/94/85/346719485.db2.gz	APQPMWPZVYYFBR-VIFPVBQESA-N	1	0	192.218	1.499	10	5		ADBERO
COC(=O)CC[C@H](C)[N+](C)(C)C	584638526	346738289	/nfs/dbraw/zinc/73/82/89/346738289.db2.gz	HTDGVVQCHKUMCH-QMMMGPOBSA-N	1	0	174.264	1.034	10	5		ADBERO
COC(=O)CC[C@@H](C)[N+](C)(C)C	584638522	346738577	/nfs/dbraw/zinc/73/85/77/346738577.db2.gz	HTDGVVQCHKUMCH-MRVPVSSYSA-N	1	0	174.264	1.034	10	5		ADBERO
C[N@@+]1(C2CCCC2=O)C=CN=C1	584644213	346739719	/nfs/dbraw/zinc/73/97/19/346739719.db2.gz	TZEUQWXKGIFCOZ-LLVKDONJSA-O	1	0	165.216	1.900	10	5		ADBERO
C[N@+]1(C2CCCC2=O)C=CN=C1	584644214	346740082	/nfs/dbraw/zinc/74/00/82/346740082.db2.gz	TZEUQWXKGIFCOZ-NSHDSACASA-O	1	0	165.216	1.900	10	5		ADBERO
CC[N@+]1(c2ccccn2)C=CN=C1	584645318	346740470	/nfs/dbraw/zinc/74/04/70/346740470.db2.gz	COSTWKCYKUDQBP-ZDUSSCGKSA-N	1	0	174.227	1.922	10	5		ADBERO
CC[N@@+]1(c2ccccn2)C=CN=C1	584645317	346740626	/nfs/dbraw/zinc/74/06/26/346740626.db2.gz	COSTWKCYKUDQBP-CYBMUJFWSA-N	1	0	174.227	1.922	10	5		ADBERO
O=[N+]([O-])[C@H]1C[NH2+]C[C@@H]1c1ccccc1	584648910	346742054	/nfs/dbraw/zinc/74/20/54/346742054.db2.gz	XWYURMIHBITIGG-ZJUUUORDSA-N	1	0	192.218	1.019	10	5		ADBERO
C[N@+]1(c2ccncc2)C=CN=C1	584660973	346746333	/nfs/dbraw/zinc/74/63/33/346746333.db2.gz	YHIROLBSDBTMLD-LBPRGKRZSA-N	1	0	160.200	1.532	10	5		ADBERO
C[N@@+]1(c2ccncc2)C=CN=C1	584660960	346746370	/nfs/dbraw/zinc/74/63/70/346746370.db2.gz	YHIROLBSDBTMLD-GFCCVEGCSA-N	1	0	160.200	1.532	10	5		ADBERO
O=[N+]([O-])c1cccc([C@@H]2CC[NH2+]2)c1	44257291	351537438	/nfs/dbraw/zinc/53/74/38/351537438.db2.gz	FIMIIFSYTYIHKY-VIFPVBQESA-N	1	0	178.191	1.629	10	5		ADBERO
O=[N+]([O-])c1ccc([C@@H]2CC[NH2+]2)cc1	44257555	351537555	/nfs/dbraw/zinc/53/75/55/351537555.db2.gz	KKEBPERIZQARCN-VIFPVBQESA-N	1	0	178.191	1.629	10	5		ADBERO
O=[N+]([O-])c1ccc([C@H]2CC[NH2+]2)cc1	44257559	351537596	/nfs/dbraw/zinc/53/75/96/351537596.db2.gz	KKEBPERIZQARCN-SECBINFHSA-N	1	0	178.191	1.629	10	5		ADBERO
O=[N+]([O-])c1ccccc1[C@H]1CC[NH2+]1	44257423	351537644	/nfs/dbraw/zinc/53/76/44/351537644.db2.gz	SXDHZDWQVSISGO-MRVPVSSYSA-N	1	0	178.191	1.629	10	5		ADBERO
O=[N+]([O-])c1ccccc1[C@@H]1CC[NH2+]1	44257419	351537833	/nfs/dbraw/zinc/53/78/33/351537833.db2.gz	SXDHZDWQVSISGO-QMMMGPOBSA-N	1	0	178.191	1.629	10	5		ADBERO
O=[N+]([O-])c1ccccc1[C@H]1CC[NH2+]C1	71506065	351611778	/nfs/dbraw/zinc/61/17/78/351611778.db2.gz	PCJGXIRZPSIJGH-QMMMGPOBSA-N	1	0	192.218	1.672	10	5		ADBERO
O=[N+]([O-])c1ccccc1[C@@H]1CC[NH2+]C1	71506064	351611816	/nfs/dbraw/zinc/61/18/16/351611816.db2.gz	PCJGXIRZPSIJGH-MRVPVSSYSA-N	1	0	192.218	1.672	10	5		ADBERO
[NH3+]CCNc1ccc([N+](=O)[O-])c(F)c1	259562868	351876959	/nfs/dbraw/zinc/87/69/59/351876959.db2.gz	XGNFJMDQWKYADA-UHFFFAOYSA-N	1	0	199.185	1.105	10	5		ADBERO
CC(C)([NH3+])c1ncccc1[N+](=O)[O-]	259989275	351882531	/nfs/dbraw/zinc/88/25/31/351882531.db2.gz	JFJBGKHITXENDW-UHFFFAOYSA-N	1	0	181.195	1.184	10	5		ADBERO
C[C@H]([NH3+])c1ccncc1[N+](=O)[O-]	299890297	351893355	/nfs/dbraw/zinc/89/33/55/351893355.db2.gz	XIWJOYFSQPVCHT-YFKPBYRVSA-N	1	0	167.168	1.010	10	5		ADBERO
Cc1ccc([N+](=O)[O-])c(C[NH3+])c1F	307649758	352029510	/nfs/dbraw/zinc/02/95/10/352029510.db2.gz	ITMWPGOJXWZCCP-UHFFFAOYSA-N	1	0	184.170	1.501	10	5		ADBERO
[NH3+][C@@H](CCF)c1cccc([N+](=O)[O-])c1	575437997	352202868	/nfs/dbraw/zinc/20/28/68/352202868.db2.gz	BIYRIWZEZDYWDP-VIFPVBQESA-N	1	0	198.197	1.954	10	5		ADBERO
[NH3+][C@H](CCF)c1ccc([N+](=O)[O-])cc1	575438735	352203092	/nfs/dbraw/zinc/20/30/92/352203092.db2.gz	FUNZNUFYTVJISU-SECBINFHSA-N	1	0	198.197	1.954	10	5		ADBERO
[NH3+][C@@H](CCF)c1ccc([N+](=O)[O-])cc1	575438146	352203429	/nfs/dbraw/zinc/20/34/29/352203429.db2.gz	FUNZNUFYTVJISU-VIFPVBQESA-N	1	0	198.197	1.954	10	5		ADBERO
[NH3+][C@H](CCF)c1cccc([N+](=O)[O-])c1	575438712	352203554	/nfs/dbraw/zinc/20/35/54/352203554.db2.gz	BIYRIWZEZDYWDP-SECBINFHSA-N	1	0	198.197	1.954	10	5		ADBERO
[NH3+][C@H](CCF)c1ccccc1[N+](=O)[O-]	575439195	352204141	/nfs/dbraw/zinc/20/41/41/352204141.db2.gz	XTFLFAJRKKMLFZ-MRVPVSSYSA-N	1	0	198.197	1.954	10	5		ADBERO
[NH3+][C@@H](CCF)c1ccccc1[N+](=O)[O-]	575439897	352204150	/nfs/dbraw/zinc/20/41/50/352204150.db2.gz	XTFLFAJRKKMLFZ-QMMMGPOBSA-N	1	0	198.197	1.954	10	5		ADBERO
CCc1cc(C)c(C[NH3+])cc1[N+](=O)[O-]	575725943	352903493	/nfs/dbraw/zinc/90/34/93/352903493.db2.gz	JCFPHPSZONDEQT-UHFFFAOYSA-N	1	0	194.234	1.924	10	5		ADBERO
CCc1cc(C[NH3+])cc(C)c1[N+](=O)[O-]	575725768	352903551	/nfs/dbraw/zinc/90/35/51/352903551.db2.gz	GWWMHXXSVVSUOQ-UHFFFAOYSA-N	1	0	194.234	1.924	10	5		ADBERO
CCc1cc(C)c(C[NH3+])c([N+](=O)[O-])c1	575725129	352903555	/nfs/dbraw/zinc/90/35/55/352903555.db2.gz	AMAXABFRNCUIEQ-UHFFFAOYSA-N	1	0	194.234	1.924	10	5		ADBERO
CCc1c(C)cc([N+](=O)[O-])cc1C[NH3+]	575726311	352904437	/nfs/dbraw/zinc/90/44/37/352904437.db2.gz	OMTPUTBVILZNHE-UHFFFAOYSA-N	1	0	194.234	1.924	10	5		ADBERO
CCc1cc(C[NH3+])c([N+](=O)[O-])cc1C	575725473	352903657	/nfs/dbraw/zinc/90/36/57/352903657.db2.gz	GAMKRHUXFJDXBJ-UHFFFAOYSA-N	1	0	194.234	1.924	10	5		ADBERO
CCc1cc(C)c([N+](=O)[O-])cc1C[NH3+]	575725347	352903744	/nfs/dbraw/zinc/90/37/44/352903744.db2.gz	CSWXCZXGEUWIMS-UHFFFAOYSA-N	1	0	194.234	1.924	10	5		ADBERO
CCc1cc([N+](=O)[O-])c(C[NH3+])cc1C	575725809	352903767	/nfs/dbraw/zinc/90/37/67/352903767.db2.gz	HDRFFLQFIXVTAI-UHFFFAOYSA-N	1	0	194.234	1.924	10	5		ADBERO
CCc1cc([N+](=O)[O-])cc(C[NH3+])c1C	575726409	352904357	/nfs/dbraw/zinc/90/43/57/352904357.db2.gz	PQLQPSGMCZLPTG-UHFFFAOYSA-N	1	0	194.234	1.924	10	5		ADBERO
CCc1cc(C)c([N+](=O)[O-])c(C[NH3+])c1	575726257	352904375	/nfs/dbraw/zinc/90/43/75/352904375.db2.gz	OBGWIVHRGABTBJ-UHFFFAOYSA-N	1	0	194.234	1.924	10	5		ADBERO
CCc1c(C[NH3+])cc(C)cc1[N+](=O)[O-]	575726405	352904389	/nfs/dbraw/zinc/90/43/89/352904389.db2.gz	PPYHDXUTPYPXFH-UHFFFAOYSA-N	1	0	194.234	1.924	10	5		ADBERO
CCc1c([N+](=O)[O-])ccc(C)c1C[NH3+]	575726695	352904397	/nfs/dbraw/zinc/90/43/97/352904397.db2.gz	RXOWUGKLXRHXTI-UHFFFAOYSA-N	1	0	194.234	1.924	10	5		ADBERO
CCc1cc([N+](=O)[O-])c(C)cc1C[NH3+]	575726322	352904410	/nfs/dbraw/zinc/90/44/10/352904410.db2.gz	OQOIOIKEJXQVIW-UHFFFAOYSA-N	1	0	194.234	1.924	10	5		ADBERO
CCc1cc([N+](=O)[O-])cc(C)c1C[NH3+]	575726669	352904419	/nfs/dbraw/zinc/90/44/19/352904419.db2.gz	RNMQTZKGTLYFJH-UHFFFAOYSA-N	1	0	194.234	1.924	10	5		ADBERO
CCc1cc(C)cc(C[NH3+])c1[N+](=O)[O-]	575726347	352904420	/nfs/dbraw/zinc/90/44/20/352904420.db2.gz	OXDHASPWKBDVIC-UHFFFAOYSA-N	1	0	194.234	1.924	10	5		ADBERO
CCc1cc(C[NH3+])c(C)c([N+](=O)[O-])c1	575726987	352904440	/nfs/dbraw/zinc/90/44/40/352904440.db2.gz	VSORYTWBZKEBIQ-UHFFFAOYSA-N	1	0	194.234	1.924	10	5		ADBERO
CCc1cc(C)cc([N+](=O)[O-])c1C[NH3+]	575726832	352904586	/nfs/dbraw/zinc/90/45/86/352904586.db2.gz	UGKFHKFSMQZYJD-UHFFFAOYSA-N	1	0	194.234	1.924	10	5		ADBERO
CCc1cc(C[NH3+])c(C)cc1[N+](=O)[O-]	575727334	352905263	/nfs/dbraw/zinc/90/52/63/352905263.db2.gz	YLIBUXDPZRVPCT-UHFFFAOYSA-N	1	0	194.234	1.924	10	5		ADBERO
CC[N@+]12CCCC[C@H]1[C@H](CO)CCC2	245311029	371734441	/nfs/dbraw/zinc/73/44/41/371734441.db2.gz	LRRPUHCKSUVOBQ-RWMBFGLXSA-N	1	0	198.330	1.778	10	5		ADBERO
C[N@+]12C=CC=CC1=NC=C2	584646837	371842743	/nfs/dbraw/zinc/84/27/43/371842743.db2.gz	PICUZUKVCLYHAN-SNVBAGLBSA-N	1	0	133.174	1.400	10	5		ADBERO
C[N@@+]12C=CC=CC1=NC=C2	584646835	371842776	/nfs/dbraw/zinc/84/27/76/371842776.db2.gz	PICUZUKVCLYHAN-JTQLQIEISA-N	1	0	133.174	1.400	10	5		ADBERO
CCOc1cc([N+](=O)[O-])ccc1C[NH3+]	104462252	409453670	/nfs/dbraw/zinc/45/36/70/409453670.db2.gz	WQXQPRQTPKIAKZ-UHFFFAOYSA-N	1	0	196.206	1.452	10	5		ADBERO
C[N+]1(C/C=C2\COCO2)CCCCC1	123396	717087625	/nfs/dbraw/zinc/08/76/25/717087625.db2.gz	LPHROUXYPKOWDO-VZUCSPMQSA-N	1	0	198.286	1.505	10	5		ADBERO
C[C@H]([C@@H](O)c1ccccc1)[N+](C)(C)C	388602	717087676	/nfs/dbraw/zinc/08/76/76/717087676.db2.gz	QKAWKVWXRHHPJG-ZYHUDNBSSA-N	1	0	194.298	1.815	10	5		ADBERO
C[C@H]([C@H](O)c1ccccc1)[N+](C)(C)C	388600	717087820	/nfs/dbraw/zinc/08/78/20/717087820.db2.gz	QKAWKVWXRHHPJG-PWSUYJOCSA-N	1	0	194.298	1.815	10	5		ADBERO
CC[N+](C)(CC)C/C=C1\COCO1	123390	717087865	/nfs/dbraw/zinc/08/78/65/717087865.db2.gz	ITCMOJQNSVORFJ-UXBLZVDNSA-N	1	0	186.275	1.361	10	5		ADBERO
C[N+]1(C)CCOC12CCCCC2	259314	717087884	/nfs/dbraw/zinc/08/78/84/717087884.db2.gz	BJUSSEDIQXLOJU-UHFFFAOYSA-N	1	0	170.276	1.753	10	5		ADBERO
COc1ccc(C[N+](C)(C)C)cc1	1720774	717089049	/nfs/dbraw/zinc/08/90/49/717089049.db2.gz	PAOVXVXDFOSSSJ-UHFFFAOYSA-N	1	0	180.271	1.901	10	5		ADBERO
C[N+](C)(C)C[C@H](O)c1ccccc1	1702140	717089423	/nfs/dbraw/zinc/08/94/23/717089423.db2.gz	NEBSSMOYBRAKPC-NSHDSACASA-N	1	0	180.271	1.426	10	5		ADBERO
CCOCC[N+](CC)(CC)CC	1681603	717089448	/nfs/dbraw/zinc/08/94/48/717089448.db2.gz	DZEYMIQHGFNVAY-UHFFFAOYSA-N	1	0	174.308	1.899	10	5		ADBERO
COc1cc(O)cc([N+](C)(C)C)c1	1844075	717089843	/nfs/dbraw/zinc/08/98/43/717089843.db2.gz	JBLZYPJQGKFOEM-UHFFFAOYSA-O	1	0	182.243	1.598	10	5		ADBERO
C[N+](C)(C)c1cc(O)cc(O)c1	1844246	717090157	/nfs/dbraw/zinc/09/01/57/717090157.db2.gz	HJWRQHXNBQGKAN-UHFFFAOYSA-O	1	0	168.216	1.295	10	5		ADBERO
CC[N+]1(CC)CCCO1	2012081	717092998	/nfs/dbraw/zinc/09/29/98/717092998.db2.gz	SEQLZNYVJNXHTM-UHFFFAOYSA-N	1	0	130.211	1.178	10	5		ADBERO
C[N+](C)(C)CCc1cccc(O)c1	2014521	717093023	/nfs/dbraw/zinc/09/30/23/717093023.db2.gz	VLDBEZDOSUKOBS-UHFFFAOYSA-O	1	0	180.271	1.641	10	5		ADBERO
CC(C)C(=O)OC[C@@H](C)[N+](C)(C)C	2506612	717094623	/nfs/dbraw/zinc/09/46/23/717094623.db2.gz	OWDAZDGVUVYJRL-SECBINFHSA-N	1	0	188.291	1.280	10	5		ADBERO
CCC(=O)O[C@@H](C)C[N+](C)(C)C	2562316	717095493	/nfs/dbraw/zinc/09/54/93/717095493.db2.gz	OBMCRVFKESVZLE-QMMMGPOBSA-N	1	0	174.264	1.034	10	5		ADBERO
C[C@@H]1O[C@H](C[N+](C)(C)C)CS1	2539812	717095580	/nfs/dbraw/zinc/09/55/80/717095580.db2.gz	NZAMMJKYTYHSHN-HTQZYQBOSA-N	1	0	176.305	1.171	10	5		ADBERO
CC(=O)OCCCC[N+](C)(C)C	3639169	717097187	/nfs/dbraw/zinc/09/71/87/717097187.db2.gz	KPCQQHZZNHMZEO-UHFFFAOYSA-N	1	0	174.264	1.036	10	5		ADBERO
CC[N+](CC)(CC)CCCO	3649851	717097264	/nfs/dbraw/zinc/09/72/64/717097264.db2.gz	NQISDOIAJWWPGA-UHFFFAOYSA-N	1	0	160.281	1.245	10	5		ADBERO
C[C@@H]1O[C@@H](C[N+](C)(C)C)CS1	3874573	717097658	/nfs/dbraw/zinc/09/76/58/717097658.db2.gz	NZAMMJKYTYHSHN-SFYZADRCSA-N	1	0	176.305	1.171	10	5		ADBERO
OC1C[C@@H]2CC[C@H](C1)[N+]21CCCC1	5134051	717098432	/nfs/dbraw/zinc/09/84/32/717098432.db2.gz	MXMOCKPTNSGRFA-ZACCUICWSA-N	1	0	182.287	1.283	10	5		ADBERO
CC1=CCC[N+](C)(C)C1	5306055	717099126	/nfs/dbraw/zinc/09/91/26/717099126.db2.gz	LQDVZYHKXORRJN-UHFFFAOYSA-N	1	0	126.223	1.413	10	5		ADBERO
CC[N+]1(CC)CCN(C(C)(C)C)CC1	5285496	717099214	/nfs/dbraw/zinc/09/92/14/717099214.db2.gz	SUGSUOYKRYOJIY-UHFFFAOYSA-N	1	0	199.362	1.957	10	5		ADBERO
CN1CCC(C)(C)C[N+]1(C)C	5303103	717099268	/nfs/dbraw/zinc/09/92/68/717099268.db2.gz	ARPZEMLDCKNSIN-UHFFFAOYSA-N	1	0	157.281	1.340	10	5		ADBERO
CC1=CCC[N+]2(CCOCC2)C1	5306061	717099483	/nfs/dbraw/zinc/09/94/83/717099483.db2.gz	WERZXOKVNNKEEY-UHFFFAOYSA-N	1	0	168.260	1.183	10	5		ADBERO
CCCCO[C@H](C)C[N+](C)(C)C	5821535	717102833	/nfs/dbraw/zinc/10/28/33/717102833.db2.gz	QMSNHLKIEAGWCR-SNVBAGLBSA-N	1	0	174.308	1.898	10	5		ADBERO
CCCCO[C@@H](C)C[N+](C)(C)C	5821516	717102878	/nfs/dbraw/zinc/10/28/78/717102878.db2.gz	QMSNHLKIEAGWCR-JTQLQIEISA-N	1	0	174.308	1.898	10	5		ADBERO
CCCO[C@@H](CC)C[N+](C)(C)C	5836041	717102955	/nfs/dbraw/zinc/10/29/55/717102955.db2.gz	MKXCZXSYODIEQI-JTQLQIEISA-N	1	0	174.308	1.898	10	5		ADBERO
C[N+](C)(C)C[C@@H](O)c1ccccc1	6068157	717103522	/nfs/dbraw/zinc/10/35/22/717103522.db2.gz	NEBSSMOYBRAKPC-LLVKDONJSA-N	1	0	180.271	1.426	10	5		ADBERO
C[C@@H]1O[C@@H](C[N+](C)(C)C)C[C@H]1F	13726452	717109323	/nfs/dbraw/zinc/10/93/23/717109323.db2.gz	RFMUQKVCQUKGBN-DJLDLDEBSA-N	1	0	176.255	1.208	10	5		ADBERO
C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1F	13605640	717109401	/nfs/dbraw/zinc/10/94/01/717109401.db2.gz	RFMUQKVCQUKGBN-XHNCKOQMSA-N	1	0	176.255	1.208	10	5		ADBERO
C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@@H]1F	13726456	717109627	/nfs/dbraw/zinc/10/96/27/717109627.db2.gz	RFMUQKVCQUKGBN-CIUDSAMLSA-N	1	0	176.255	1.208	10	5		ADBERO
CSCCC[N+](C)(C)C	14822652	717111285	/nfs/dbraw/zinc/11/12/85/717111285.db2.gz	JZDFUMNRDXPNDX-UHFFFAOYSA-N	1	0	148.295	1.446	10	5		ADBERO
COC(=O)c1cccc([N+](C)(C)C)c1	32815425	717121071	/nfs/dbraw/zinc/12/10/71/717121071.db2.gz	AQEZPAYMAZJUMX-UHFFFAOYSA-N	1	0	194.254	1.670	10	5		ADBERO
C[N+](C)(C)CCCCCCO	33640011	717121437	/nfs/dbraw/zinc/12/14/37/717121437.db2.gz	XVKNMMALUIFQRL-UHFFFAOYSA-N	1	0	160.281	1.245	10	5	in-vitro	ADBERO
C[C@@H]1CCC[C@@H](C)[N+]1(C)CCCO	33638002	717121500	/nfs/dbraw/zinc/12/15/00/717121500.db2.gz	DJXYPTWSJYRDPB-GHMZBOCLSA-N	1	0	186.319	1.776	10	5		ADBERO
CCOC(=O)C1CC[N+](C)(C)CC1	33986400	717123874	/nfs/dbraw/zinc/12/38/74/717123874.db2.gz	YSONIGHNSNARDJ-UHFFFAOYSA-N	1	0	186.275	1.036	10	5		ADBERO
C[N+](C)(C)Cc1cccc(N)c1	36488071	717125630	/nfs/dbraw/zinc/12/56/30/717125630.db2.gz	PFSIOFJZLTVJNN-UHFFFAOYSA-N	1	0	165.260	1.475	10	5		ADBERO
C[N+](C)(C)Cc1occc1C=O	59431929	717131440	/nfs/dbraw/zinc/13/14/40/717131440.db2.gz	DORQJBZBPOSYPY-UHFFFAOYSA-N	1	0	168.216	1.298	10	5		ADBERO
CCCC[C@@H](O)C[N+](C)(C)C	59870316	717131992	/nfs/dbraw/zinc/13/19/92/717131992.db2.gz	CEYRCSSIVJJQJS-SECBINFHSA-N	1	0	160.281	1.244	10	5		ADBERO
CCCC[C@H](O)C[N+](C)(C)C	59870312	717132039	/nfs/dbraw/zinc/13/20/39/717132039.db2.gz	CEYRCSSIVJJQJS-VIFPVBQESA-N	1	0	160.281	1.244	10	5		ADBERO
C[N+](C)(C)CCNc1ccccc1	78162176	717134855	/nfs/dbraw/zinc/13/48/55/717134855.db2.gz	BVFOVZMZPBNZOE-UHFFFAOYSA-N	1	0	179.287	1.805	10	5		ADBERO
CCOCC[N+](C)(C)CC	113206236	717149285	/nfs/dbraw/zinc/14/92/85/717149285.db2.gz	UKMXHMCFTYILJN-UHFFFAOYSA-N	1	0	146.254	1.119	10	5		ADBERO
C[N+]1(C)C=CC=C1	114348691	717149677	/nfs/dbraw/zinc/14/96/77/717149677.db2.gz	YPAILIDQWSZAAJ-UHFFFAOYSA-N	1	0	96.153	1.104	10	5	in-vitro	ADBERO
C1CC[N+]2(C1)CCC2	118026684	717150317	/nfs/dbraw/zinc/15/03/17/717150317.db2.gz	MDFCOVMXWLWCSF-UHFFFAOYSA-N	1	0	112.196	1.001	10	5		ADBERO
CC(C)C[C@H](CO)[N+](C)(C)C	137801364	717151194	/nfs/dbraw/zinc/15/11/94/717151194.db2.gz	PZCYNGBCYKVROL-SECBINFHSA-N	1	0	160.281	1.100	10	5		ADBERO
CC[N+]1(CC)CCC(=O)CC1	140140020	717151700	/nfs/dbraw/zinc/15/17/00/717151700.db2.gz	ALOCYTPTFUJXPB-UHFFFAOYSA-N	1	0	156.249	1.206	10	5		ADBERO
Cc1cc(O)ccc1[N+](C)(C)C	138235303	717151780	/nfs/dbraw/zinc/15/17/80/717151780.db2.gz	HKKSYDPAOWMBSD-UHFFFAOYSA-O	1	0	166.244	1.897	10	5		ADBERO
C1CC[N+]2(CC1)CC2	140038473	717151966	/nfs/dbraw/zinc/15/19/66/717151966.db2.gz	LYOPSKGJLIMOAT-UHFFFAOYSA-N	1	0	112.196	1.001	10	5		ADBERO
C[C@H]1C[C@H](C)C[N+](C)(C)C1	142680290	717152380	/nfs/dbraw/zinc/15/23/80/717152380.db2.gz	HGACHMQVWWZPCX-IUCAKERBSA-N	1	0	142.266	1.739	10	5		ADBERO
C[C@H]1C[C@@H](C)C[N+](C)(C)C1	142680081	717152549	/nfs/dbraw/zinc/15/25/49/717152549.db2.gz	HGACHMQVWWZPCX-DTORHVGOSA-N	1	0	142.266	1.739	10	5		ADBERO
CO[N+](C)(C)Cc1ccccc1	141706247	717152552	/nfs/dbraw/zinc/15/25/52/717152552.db2.gz	GQCQHKFBLQMFQT-UHFFFAOYSA-N	1	0	166.244	1.824	10	5		ADBERO
C[C@@H]1C[C@@H](C)C[N+](C)(C)C1	142680473	717152615	/nfs/dbraw/zinc/15/26/15/717152615.db2.gz	HGACHMQVWWZPCX-RKDXNWHRSA-N	1	0	142.266	1.739	10	5		ADBERO
CC[N+]1(C)C=CC=C1	143700536	717153064	/nfs/dbraw/zinc/15/30/64/717153064.db2.gz	UEBCXLVJWVEANI-UHFFFAOYSA-N	1	0	110.180	1.494	10	5		ADBERO
Cc1cccc(C[N+](C)(C)C)n1	169407011	717156479	/nfs/dbraw/zinc/15/64/79/717156479.db2.gz	VVVWERUXMGWFNJ-UHFFFAOYSA-N	1	0	165.260	1.596	10	5		ADBERO
C[N+](C)(C)Cc1ccccc1CO	205629403	717160169	/nfs/dbraw/zinc/16/01/69/717160169.db2.gz	KQHNSURMEGSEIS-UHFFFAOYSA-N	1	0	180.271	1.385	10	5		ADBERO
C[N+](C)(C)CCc1ccc([N+](=O)[O-])o1	238484628	717161914	/nfs/dbraw/zinc/16/19/14/717161914.db2.gz	QEYLGVOBGUTCCT-UHFFFAOYSA-N	1	0	199.230	1.437	10	5		ADBERO
C[N+](C)(C)C/C=C/Cl	238485212	717161911	/nfs/dbraw/zinc/16/19/11/717161911.db2.gz	VOOVKOCSVUCSHK-SNAWJCMRSA-N	1	0	134.630	1.445	10	5		ADBERO
C[n+]1cccc([C@H]2CCC[N@+]2(C)[O-])c1	255972104	717172214	/nfs/dbraw/zinc/17/22/14/717172214.db2.gz	FNKVTZJGGWWGAI-YPMHNXCESA-N	1	0	194.278	1.182	10	5		ADBERO
C[N+]1(C)CCc2c(N)cccc2C1	253185210	717165523	/nfs/dbraw/zinc/16/55/23/717165523.db2.gz	PFQHLJNHWJNLEP-UHFFFAOYSA-N	1	0	177.271	1.401	10	5		ADBERO
C[C@H]1CC[C@@H](C)[N@+]1(C)CCCO	255982999	717173312	/nfs/dbraw/zinc/17/33/12/717173312.db2.gz	KGUARBAFTYNROL-URLYPYJESA-N	1	0	172.292	1.386	10	5		ADBERO
C[C@H]1[NH2+]CCc2sc([N+](=O)[O-])cc21	687728595	571909770	/nfs/dbraw/zinc/90/97/70/571909770.db2.gz	LYUBXIUKZKCILR-RXMQYKEDSA-N	1	0	198.247	1.863	10	5		ADBERO
CC[C@H]([NH3+])c1cc(N)cc([N+](=O)[O-])c1	238313498	573209032	/nfs/dbraw/zinc/20/90/32/573209032.db2.gz	KJTRBDAXBHRPDR-VIFPVBQESA-N	1	0	195.222	1.587	10	5		ADBERO
CC[NH2+][C@@H](C[N+](=O)[O-])c1ccncc1	308522284	573247511	/nfs/dbraw/zinc/24/75/11/573247511.db2.gz	PHGLCEHMFNCHKS-VIFPVBQESA-N	1	0	195.222	1.009	10	5		ADBERO
O=[N+]([O-])c1ccc([C@@H]2CC[NH2+]C2)s1	74238022	573271186	/nfs/dbraw/zinc/27/11/86/573271186.db2.gz	LQONPWQXZIDRLN-ZCFIWIBFSA-N	1	0	198.247	1.733	10	5		ADBERO
O=[N+]([O-])c1ccc([C@H]2CC[NH2+]C2)s1	74238024	573274053	/nfs/dbraw/zinc/27/40/53/573274053.db2.gz	LQONPWQXZIDRLN-LURJTMIESA-N	1	0	198.247	1.733	10	5		ADBERO
C[NH2+][C@H](C)c1cc(C)c([N+](=O)[O-])cn1	238329940	573273722	/nfs/dbraw/zinc/27/37/22/573273722.db2.gz	YUTMGOJATJCVBT-SSDOTTSWSA-N	1	0	195.222	1.579	10	5		ADBERO
C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1	238335011	573276398	/nfs/dbraw/zinc/27/63/98/573276398.db2.gz	VPXFTPLIFNZZRY-ZCFIWIBFSA-N	1	0	195.222	1.457	10	5		ADBERO
C[NH2+][C@@H](C)c1ncc([N+](=O)[O-])cc1C	238336645	573295926	/nfs/dbraw/zinc/29/59/26/573295926.db2.gz	FXVRHXSAGPUSCU-ZETCQYMHSA-N	1	0	195.222	1.579	10	5		ADBERO
COc1cc([C@@H](C)[NH3+])cc([N+](=O)[O-])c1	238412657	573475779	/nfs/dbraw/zinc/47/57/79/573475779.db2.gz	OFBBFWNRABQCQH-ZCFIWIBFSA-N	1	0	196.206	1.623	10	5		ADBERO
C[C@@H]([NH3+])c1cc(N)cc([N+](=O)[O-])c1	238424702	573519223	/nfs/dbraw/zinc/51/92/23/573519223.db2.gz	KFIWRROPTCCKES-RXMQYKEDSA-N	1	0	181.195	1.197	10	5		ADBERO
C[C@H]([NH3+])c1cccc(F)c1[N+](=O)[O-]	238431171	573536988	/nfs/dbraw/zinc/53/69/88/573536988.db2.gz	ATMOHGQXVZCAGR-YFKPBYRVSA-N	1	0	184.170	1.754	10	5		ADBERO
CC[N@@+](C)(CCO)c1ccccc1	308632775	573594298	/nfs/dbraw/zinc/59/42/98/573594298.db2.gz	WDTQRJZGWDSOAB-LBPRGKRZSA-N	1	0	180.271	1.636	10	5		ADBERO
C[C@@H](CC1CC[NH+](C)CC1)[N+](=O)[O-]	257837072	573607046	/nfs/dbraw/zinc/60/70/46/573607046.db2.gz	LGMNCBULTRQOFY-QMMMGPOBSA-N	1	0	186.255	1.384	10	5		ADBERO
Cc1ccc(C2([NH3+])CC2)cc1[N+](=O)[O-]	238475153	573664203	/nfs/dbraw/zinc/66/42/03/573664203.db2.gz	KVQODXFLLKBWTA-UHFFFAOYSA-N	1	0	192.218	1.851	10	5		ADBERO
C[C@H]1[NH2+]CCc2ccc([N+](=O)[O-])cc21	75823676	573697779	/nfs/dbraw/zinc/69/77/79/573697779.db2.gz	OVLATSRXFDXXCU-SSDOTTSWSA-N	1	0	192.218	1.802	10	5		ADBERO
C[C@@H]1[NH2+]CCc2ccc([N+](=O)[O-])cc21	75823677	573698781	/nfs/dbraw/zinc/69/87/81/573698781.db2.gz	OVLATSRXFDXXCU-ZETCQYMHSA-N	1	0	192.218	1.802	10	5		ADBERO
C[N+]1(C)Cc2ccccc2[C@H]1O	238489424	573732544	/nfs/dbraw/zinc/73/25/44/573732544.db2.gz	CYMAWIVLJCYEBI-SNVBAGLBSA-N	1	0	164.228	1.268	10	5		ADBERO
CC(C)C[C@@H](CO)[N+](C)(C)C	144850726	573746571	/nfs/dbraw/zinc/74/65/71/573746571.db2.gz	PZCYNGBCYKVROL-VIFPVBQESA-N	1	0	160.281	1.100	10	5		ADBERO
Cc1cc([C@@H]2CC[NH2+]2)ccc1[N+](=O)[O-]	238509862	573769575	/nfs/dbraw/zinc/76/95/75/573769575.db2.gz	IRWZBVANGNLBBV-VIFPVBQESA-N	1	0	192.218	1.938	10	5		ADBERO
[NH3+]C1CC(c2cccc([N+](=O)[O-])c2)C1	87199467	573823342	/nfs/dbraw/zinc/82/33/42/573823342.db2.gz	VPBLNFDLXOFNJM-UHFFFAOYSA-N	1	0	192.218	1.800	10	5		ADBERO
Cc1cc([C@H]2CC[NH2+]2)ccc1[N+](=O)[O-]	238524509	573826253	/nfs/dbraw/zinc/82/62/53/573826253.db2.gz	IRWZBVANGNLBBV-SECBINFHSA-N	1	0	192.218	1.938	10	5		ADBERO
C[C@H]([NH3+])/C=C\c1cccc([N+](=O)[O-])c1	308458752	573866945	/nfs/dbraw/zinc/86/69/45/573866945.db2.gz	YJBMQHCSSQSXPC-SLGIHZDVSA-N	1	0	192.218	1.955	10	5		ADBERO
Cc1cc([N+](=O)[O-])ccc1[C@H]1CC[NH2+]1	238554475	573886067	/nfs/dbraw/zinc/88/60/67/573886067.db2.gz	QJTXHTGBROVBCU-SNVBAGLBSA-N	1	0	192.218	1.938	10	5		ADBERO
[NH3+][C@@H]1CC(=O)c2c1cccc2[N+](=O)[O-]	238562149	573890350	/nfs/dbraw/zinc/89/03/50/573890350.db2.gz	YIHJIXDAZJHLRS-ZCFIWIBFSA-N	1	0	192.174	1.181	10	5		ADBERO
CC[C@@H]([NH3+])c1cccc([N+](=O)[O-])c1N	104480199	574001128	/nfs/dbraw/zinc/00/11/28/574001128.db2.gz	IEEYADUSQCMHOJ-SSDOTTSWSA-N	1	0	195.222	1.587	10	5		ADBERO
CC[C@H]([NH3+])c1ccc([N+](=O)[O-])c(C)n1	104482971	574001600	/nfs/dbraw/zinc/00/16/00/574001600.db2.gz	KMKCMPYIMTVZNQ-ZETCQYMHSA-N	1	0	195.222	1.708	10	5		ADBERO
C[C@@H]1Oc2ccc([N+](=O)[O-])cc2[C@H]1[NH3+]	757175722	629722308	/nfs/dbraw/zinc/72/23/08/629722308.db2.gz	IXUJRGYBGJSNFC-CDUCUWFYSA-N	1	0	194.190	1.376	10	5		ADBERO
C[C@@H]1Oc2c(cccc2[N+](=O)[O-])[C@H]1[NH3+]	757175728	629722326	/nfs/dbraw/zinc/72/23/26/629722326.db2.gz	JKTUVEIAPYXKDD-XNCJUZBTSA-N	1	0	194.190	1.376	10	5		ADBERO
C[C@H]1Oc2ccc([N+](=O)[O-])cc2[C@H]1[NH3+]	757175721	629723354	/nfs/dbraw/zinc/72/33/54/629723354.db2.gz	IXUJRGYBGJSNFC-ANLVUFKYSA-N	1	0	194.190	1.376	10	5		ADBERO
C[C@@H]1Oc2c(cccc2[N+](=O)[O-])[C@@H]1[NH3+]	757175730	629724178	/nfs/dbraw/zinc/72/41/78/629724178.db2.gz	JKTUVEIAPYXKDD-YLWLKBPMSA-N	1	0	194.190	1.376	10	5		ADBERO
C[C@H]1Oc2c(cccc2[N+](=O)[O-])[C@H]1[NH3+]	757175729	629724544	/nfs/dbraw/zinc/72/45/44/629724544.db2.gz	JKTUVEIAPYXKDD-XRGYYRRGSA-N	1	0	194.190	1.376	10	5		ADBERO
C[C@H]1Oc2ccc([N+](=O)[O-])cc2[C@@H]1[NH3+]	757175723	629724599	/nfs/dbraw/zinc/72/45/99/629724599.db2.gz	IXUJRGYBGJSNFC-MLUIRONXSA-N	1	0	194.190	1.376	10	5		ADBERO
C[C@@H]1Oc2ccc([N+](=O)[O-])cc2[C@@H]1[NH3+]	757175724	629724867	/nfs/dbraw/zinc/72/48/67/629724867.db2.gz	IXUJRGYBGJSNFC-SSDLBLMSSA-N	1	0	194.190	1.376	10	5		ADBERO
C[C@H]1Oc2c(cccc2[N+](=O)[O-])[C@@H]1[NH3+]	757175727	629725686	/nfs/dbraw/zinc/72/56/86/629725686.db2.gz	JKTUVEIAPYXKDD-SVGQVSJJSA-N	1	0	194.190	1.376	10	5		ADBERO
CC(C)[C@H]1CC[N@H+](CC[N+](=O)[O-])C1	929821158	630771522	/nfs/dbraw/zinc/77/15/22/630771522.db2.gz	JBCUBFIVJUGGRU-VIFPVBQESA-N	1	0	186.255	1.241	10	5		ADBERO
CC(C)[C@@H]1CC[N@H+](CC[N+](=O)[O-])C1	929821157	630771755	/nfs/dbraw/zinc/77/17/55/630771755.db2.gz	JBCUBFIVJUGGRU-SECBINFHSA-N	1	0	186.255	1.241	10	5		ADBERO
CC[N@H+](CC[N+](=O)[O-])CC(C)C	929258670	630866444	/nfs/dbraw/zinc/86/64/44/630866444.db2.gz	ABBPPDXOSBQTGE-UHFFFAOYSA-N	1	0	174.244	1.241	10	5		ADBERO
C[C@@H](C[NH3+])Nc1ccccc1[N+](=O)[O-]	82584563	630874707	/nfs/dbraw/zinc/87/47/07/630874707.db2.gz	YCOFIVHWDUYWPF-ZETCQYMHSA-N	1	0	195.222	1.354	10	5		ADBERO
O=[N+]([O-])c1cccc(C[NH2+]CCF)c1	87775094	630877701	/nfs/dbraw/zinc/87/77/01/630877701.db2.gz	DMDBVUOYEWLBQV-UHFFFAOYSA-N	1	0	198.197	1.654	10	5		ADBERO
CCC[C@@H](C)[N@H+](C)CC[N+](=O)[O-]	929251957	631088035	/nfs/dbraw/zinc/08/80/35/631088035.db2.gz	HXPDWBIFBGTZSZ-MRVPVSSYSA-N	1	0	174.244	1.384	10	5		ADBERO
CCC[C@H](C)[N@H+](C)CC[N+](=O)[O-]	929251958	631090130	/nfs/dbraw/zinc/09/01/30/631090130.db2.gz	HXPDWBIFBGTZSZ-QMMMGPOBSA-N	1	0	174.244	1.384	10	5		ADBERO
CC(C)CC[N@H+](C)CC[N+](=O)[O-]	929292665	631088721	/nfs/dbraw/zinc/08/87/21/631088721.db2.gz	GTSQTOSWFIYJQH-UHFFFAOYSA-N	1	0	174.244	1.241	10	5		ADBERO
CCC1CC[NH+](CC[N+](=O)[O-])CC1	929296926	631089126	/nfs/dbraw/zinc/08/91/26/631089126.db2.gz	FVNUNCDULXGNDY-UHFFFAOYSA-N	1	0	186.255	1.385	10	5		ADBERO
CC[N@H+](CC[N+](=O)[O-])C1CCCC1	929275178	631090249	/nfs/dbraw/zinc/09/02/49/631090249.db2.gz	GGNPEHZXMIZACY-UHFFFAOYSA-N	1	0	186.255	1.528	10	5		ADBERO
CC[C@@H]1CCC[N@@H+]1CC[N+](=O)[O-]	929491217	631094565	/nfs/dbraw/zinc/09/45/65/631094565.db2.gz	FSLUXOQACQJRLV-MRVPVSSYSA-N	1	0	172.228	1.138	10	5		ADBERO
CC[C@H]1CCC[N@@H+]1CC[N+](=O)[O-]	929491218	631095303	/nfs/dbraw/zinc/09/53/03/631095303.db2.gz	FSLUXOQACQJRLV-QMMMGPOBSA-N	1	0	172.228	1.138	10	5		ADBERO
O=[N+]([O-])CC[N@@H+]1CCC[C@@H]1C1CC1	929509552	631096941	/nfs/dbraw/zinc/09/69/41/631096941.db2.gz	BCBZUUKJSGAHRK-SECBINFHSA-N	1	0	184.239	1.138	10	5		ADBERO
C[C@@H]1CCCCC[N@@H+]1CC[N+](=O)[O-]	929650629	631097178	/nfs/dbraw/zinc/09/71/78/631097178.db2.gz	NXIBEDMEUYHEPG-SECBINFHSA-N	1	0	186.255	1.528	10	5		ADBERO
C[C@H]1CCCCC[N@@H+]1CC[N+](=O)[O-]	929650630	631097393	/nfs/dbraw/zinc/09/73/93/631097393.db2.gz	NXIBEDMEUYHEPG-VIFPVBQESA-N	1	0	186.255	1.528	10	5		ADBERO
O=[N+]([O-])CC[N@@H+]1CCC[C@H]1C1CC1	929509554	631098174	/nfs/dbraw/zinc/09/81/74/631098174.db2.gz	BCBZUUKJSGAHRK-VIFPVBQESA-N	1	0	184.239	1.138	10	5		ADBERO
O=[N+]([O-])CC[N@@H+]1CCC2(CCCC2)C1	929747610	631099654	/nfs/dbraw/zinc/09/96/54/631099654.db2.gz	FDCDNUXBZPONAC-UHFFFAOYSA-N	1	0	198.266	1.529	10	5		ADBERO
C[C@H]1CC[C@@H](C)[N@H+](CC[N+](=O)[O-])C1	929756719	631100694	/nfs/dbraw/zinc/10/06/94/631100694.db2.gz	JHFUTDDIZZHJHA-DTWKUNHWSA-N	1	0	186.255	1.384	10	5		ADBERO
C[C@@H]1CC[C@@H](C)[N@H+](CC[N+](=O)[O-])C1	929756721	631100762	/nfs/dbraw/zinc/10/07/62/631100762.db2.gz	JHFUTDDIZZHJHA-RKDXNWHRSA-N	1	0	186.255	1.384	10	5		ADBERO
C[C@H]1CC[C@@H](C)C[N@H+]1CC[N+](=O)[O-]	929756718	631102097	/nfs/dbraw/zinc/10/20/97/631102097.db2.gz	JHFUTDDIZZHJHA-BDAKNGLRSA-N	1	0	186.255	1.384	10	5		ADBERO
C[C@H]1CC[C@H](C)[N@H+](CC[N+](=O)[O-])C1	929756720	631102141	/nfs/dbraw/zinc/10/21/41/631102141.db2.gz	JHFUTDDIZZHJHA-IUCAKERBSA-N	1	0	186.255	1.384	10	5		ADBERO
C[C@@H]1CC[C@@H](C)[NH+]1CC[N+](=O)[O-]	929827506	631103223	/nfs/dbraw/zinc/10/32/23/631103223.db2.gz	CKQIGZNZJPRKEN-HTQZYQBOSA-N	1	0	172.228	1.136	10	5		ADBERO
CC[C@@]1(C)CC[N@H+](CC[N+](=O)[O-])C1	929827213	631103305	/nfs/dbraw/zinc/10/33/05/631103305.db2.gz	AEYFNRBIXAFQKI-VIFPVBQESA-N	1	0	186.255	1.385	10	5		ADBERO
C[C@H]1CC[C@H](C)[NH+]1CC[N+](=O)[O-]	929827508	631103415	/nfs/dbraw/zinc/10/34/15/631103415.db2.gz	CKQIGZNZJPRKEN-YUMQZZPRSA-N	1	0	172.228	1.136	10	5		ADBERO
CC[C@]1(C)CC[N@H+](CC[N+](=O)[O-])C1	929827212	631103833	/nfs/dbraw/zinc/10/38/33/631103833.db2.gz	AEYFNRBIXAFQKI-SECBINFHSA-N	1	0	186.255	1.385	10	5		ADBERO
C[C@H]1CC[C@@H](C)[N@@H+]1CC[N+](=O)[O-]	929827507	631104031	/nfs/dbraw/zinc/10/40/31/631104031.db2.gz	CKQIGZNZJPRKEN-OCAPTIKFSA-N	1	0	172.228	1.136	10	5		ADBERO
CC(C)[N@H+](CC[N+](=O)[O-])CC1CC1	929877231	631104298	/nfs/dbraw/zinc/10/42/98/631104298.db2.gz	HRDBSBWDKHLTQF-UHFFFAOYSA-N	1	0	186.255	1.384	10	5		ADBERO
CC(C)[N@H+](CC[N+](=O)[O-])C1CCC1	929993503	631105667	/nfs/dbraw/zinc/10/56/67/631105667.db2.gz	DRFOHYQGZUCEFZ-UHFFFAOYSA-N	1	0	186.255	1.526	10	5		ADBERO
O=[N+]([O-])CC[NH+](CC1CC1)CC1CC1	929983428	631106157	/nfs/dbraw/zinc/10/61/57/631106157.db2.gz	BXGAQUKCMUAZTL-UHFFFAOYSA-N	1	0	198.266	1.385	10	5		ADBERO
CCC(CC)[N@H+](CC)CC[N+](=O)[O-]	930502227	631111071	/nfs/dbraw/zinc/11/10/71/631111071.db2.gz	HRASICNPKXPIHQ-UHFFFAOYSA-N	1	0	188.271	1.774	10	5		ADBERO
CC1=C(C)C[N@H+](CC[N+](=O)[O-])CC1	930298060	631112202	/nfs/dbraw/zinc/11/22/02/631112202.db2.gz	HXOGWLIDZJBJNG-UHFFFAOYSA-N	1	0	184.239	1.305	10	5		ADBERO
C[C@@H]([NH2+]CC[N+](=O)[O-])C1CCCC1	930661030	631113753	/nfs/dbraw/zinc/11/37/53/631113753.db2.gz	SKEGEDGKOGGZAI-MRVPVSSYSA-N	1	0	186.255	1.431	10	5		ADBERO
O=[N+]([O-])CC[N@@H+]1CCC12CCCC2	930846018	631116428	/nfs/dbraw/zinc/11/64/28/631116428.db2.gz	SJYFBHQBLJPUIB-UHFFFAOYSA-N	1	0	184.239	1.282	10	5		ADBERO
C[C@@H]([NH2+]CC[N+](=O)[O-])C(C)(C)C	930863346	631117027	/nfs/dbraw/zinc/11/70/27/631117027.db2.gz	PEOGYZYIDNQGEO-SSDOTTSWSA-N	1	0	174.244	1.287	10	5		ADBERO
CCC(C)(C)[C@H](C)[NH2+]CC[N+](=O)[O-]	930931301	631117372	/nfs/dbraw/zinc/11/73/72/631117372.db2.gz	UJEJNBARQOXHBH-QMMMGPOBSA-N	1	0	188.271	1.677	10	5		ADBERO
CCC(C)(C)[C@@H](C)[NH2+]CC[N+](=O)[O-]	930931300	631118836	/nfs/dbraw/zinc/11/88/36/631118836.db2.gz	UJEJNBARQOXHBH-MRVPVSSYSA-N	1	0	188.271	1.677	10	5		ADBERO
O=[N+]([O-])CC[N@@H+]1CCCC2(CC1)CC2	931335840	631121891	/nfs/dbraw/zinc/12/18/91/631121891.db2.gz	YIPFPUJAYNMZQY-UHFFFAOYSA-N	1	0	198.266	1.529	10	5		ADBERO
C[C@]12CCCC[C@H]1C[N@@H+]2CC[N+](=O)[O-]	931332863	631122505	/nfs/dbraw/zinc/12/25/05/631122505.db2.gz	SODILERQBYPQTR-UWVGGRQHSA-N	1	0	198.266	1.528	10	5		ADBERO
O=[N+]([O-])CC[NH2+]C1(C2CC2)CCC1	931763900	631127552	/nfs/dbraw/zinc/12/75/52/631127552.db2.gz	LMVUMUQPKGFCAF-UHFFFAOYSA-N	1	0	184.239	1.185	10	5		ADBERO
C[C@@H]1CC=CC[C@H]1[NH2+]CC[N+](=O)[O-]	934617951	631148050	/nfs/dbraw/zinc/14/80/50/631148050.db2.gz	QMNGGFLAEUZZCR-RKDXNWHRSA-N	1	0	184.239	1.207	10	5		ADBERO
C[C@H]([NH3+])Cc1ccc([N+](=O)[O-])cc1	3635659	1224161880	/nfs/dbraw/zinc/16/18/80/1224161880.db2.gz	CQVVPZKXDRZYBM-ZETCQYMHSA-N	1	0	180.207	1.485	10	5		ADBERO
C[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1	5763108	1224162621	/nfs/dbraw/zinc/16/26/21/1224162621.db2.gz	FMYSLOHXMJLTRT-QMMMGPOBSA-N	1	0	194.234	1.745	10	5		ADBERO