N[C@@H](Cc1cc(F)cc(F)c1)C(=O)O	ZINC000000113771	67/50/95/342675095	QFGMPXZFCIHYIR-QMMMGPOBSA-N	0	201.172	BC	0.919	0	Anodyne	ref	BCAARN	[NH3+][C@@H](Cc1cc(F)cc(F)c1)C(=O)[O-]	in-vitro
COc1cc(C(N)=O)c([N+](=O)[O-])cc1OC	ZINC000000153557	56/89/52/344568952	KSBGGQRDBYVDSC-UHFFFAOYSA-N	0	226.188	BC	0.711	0	Bother	ref	BCBARN	COc1cc(C(N)=O)c([N+](=O)[O-])cc1OC	 
Cc1ccc([N+](=O)[O-])cc1S(N)(=O)=O	ZINC000003865903	93/35/48/178933548	CLXWMMGXFSZUNP-UHFFFAOYSA-N	0	216.218	BC	0.551	0	Bother	ref	BCBARN	Cc1ccc([N+](=O)[O-])cc1S(N)(=O)=O	 
CC(C)(C)OC(=O)N1CC(C(=O)O)C1	ZINC000004110308	74/25/49/342742549	NCADHSLPNSTDMJ-UHFFFAOYSA-N	-1	201.222	BC	0.938	0	Anodyne	ref	BCAARM	CC(C)(C)OC(=O)N1CC(C(=O)[O-])C1	 
C/C(=C\CNc1ncnc2[nH]cnc12)CO	ZINC000004492895	06/34/32/384063432	UZKQTCBAMSWPJD-FARCUNLSSA-N	0	219.248	BC	0.703	1	Anodyne	mid	BCAAMN	CC(=CCNc1ncnc2[nH]cnc12)CO	in-man endogenous
C/C(=C\CNc1ncnc2[nH]cnc12)CO	ZINC000004492895	06/34/19/384063419	UZKQTCBAMSWPJD-FARCUNLSSA-N	0	219.248	BC	0.703	0	Anodyne	ref	BCAARN	CC(=CCNc1ncnc2nc[nH]c12)CO	in-man endogenous
O=C(O)c1ncc(Br)cn1	ZINC000008698537	80/21/98/342802198	XGPTXUYKEDPXCO-UHFFFAOYSA-N	-1	202.995	BC	0.937	0	Anodyne	ref	BCAARM	O=C([O-])c1ncc(Br)cn1	 
O=c1cc(I)cc[nH]1	ZINC000012370900	85/04/27/342850427	POHJRJNCZQENQG-UHFFFAOYSA-N	0	220.997	BC	0.98	0	Anodyne	ref	BCAARN	O=c1cc(I)cc[nH]1	 
C/C(=C/CNc1ncnc2[nH]cnc12)CO	ZINC000013523718	86/73/47/342867347	UZKQTCBAMSWPJD-UQCOIBPSSA-N	0	219.248	BC	0.703	1	Anodyne	mid	BCAAMN	CC(=CCNc1ncnc2[nH]cnc12)CO	in-vitro biogenic
C/C(=C/CNc1ncnc2[nH]cnc12)CO	ZINC000013523718	86/73/42/342867342	UZKQTCBAMSWPJD-UQCOIBPSSA-N	0	219.248	BC	0.703	0	Anodyne	ref	BCAARN	CC(=CCNc1ncnc2nc[nH]c12)CO	in-vitro biogenic
COc1nc(Br)cnc1N	ZINC000016082601	30/67/45/259306745	QDFJJHGAODFQMN-UHFFFAOYSA-N	0	204.027	BC	0.83	0	Anodyne	ref	BCAARN	COc1nc(Br)cnc1N	in-vitro
COC(=O)c1cc([N+](=O)[O-])c(O)cc1O	ZINC000034638869	65/37/69/385653769	RTNOQYZDKMGQGE-UHFFFAOYSA-N	-2	213.145	BC	0.793	3	Bother	high	BCBAHL	COC(=O)c1cc([N+](=O)[O-])c([O-])cc1[O-]	 
COC(=O)c1cc([N+](=O)[O-])c(O)cc1O	ZINC000034638869	65/37/56/385653756	RTNOQYZDKMGQGE-UHFFFAOYSA-N	-1	213.145	BC	0.793	0	Bother	ref	BCBARM	COC(=O)c1cc([N+](=O)[O-])c([O-])cc1O	 
COc1ccc2c(=O)[nH]cnc2c1OC	ZINC000066347523	20/28/77/175202877	YXGGZHOUUBJDQO-UHFFFAOYSA-N	0	206.201	BC	0.94	0	Anodyne	ref	BCAARN	COc1ccc2c(=O)[nH]cnc2c1OC	 
Cn1nncc1I	ZINC000072267236	20/34/52/384203452	RRRKYKMVUDVTHC-UHFFFAOYSA-N	0	208.99	BC	0.42	0	Anodyne	ref	BCAARN	Cn1nncc1I	 
O=C(O)c1cncc(Br)n1	ZINC000084307856	85/86/77/384858677	HKGHXDMQMSAZSQ-UHFFFAOYSA-N	-1	202.995	BC	0.937	0	Anodyne	ref	BCAARM	O=C([O-])c1cncc(Br)n1	 
NC(=O)c1cc(F)c([N+](=O)[O-])c(F)c1	ZINC000095080235	28/98/40/181289840	UWRANGRDPHQGBQ-UHFFFAOYSA-N	0	202.116	BC	0.972	0	Bother	ref	BCBBRN	NC(=O)c1cc(F)c([N+](=O)[O-])c(F)c1	 
Cn1ccc(I)cc1=O	ZINC000095709545	91/68/16/384916816	YZJCNADFGXFEHX-UHFFFAOYSA-N	0	235.024	BC	0.99	0	Anodyne	ref	BCAARN	Cn1ccc(I)cc1=O