COc1ccc(C(=O)c2ccc(C)cc2)c(O)c1	ZINC000000000500	06/60/77/175066077	MJVGBKJNTFCUJM-UHFFFAOYSA-N	0	242.274	BF	2.94	1	Anodyne	mid	BFAAMN	COc1ccc(C(=O)c2ccc(C)cc2)c(O)c1	world
COc1ccc(C(=O)c2ccc(C)cc2)c(O)c1	ZINC000000000500	06/60/76/175066076	MJVGBKJNTFCUJM-UHFFFAOYSA-N	-1	242.274	BF	2.94	0	Anodyne	ref	BFAARM	COc1ccc(C(=O)c2ccc(C)cc2)c([O-])c1	world
Cc1ccc2c(c1)c1c3n2CCN[C@H]3CCC1	ZINC000000000641	61/40/59/359614059	IWVRVEIKCBFZNF-ZDUSSCGKSA-N	0	226.323	BF	2.93	3	Anodyne	high	BFAAHN	Cc1ccc2c(c1)c1c3n2CCN[C@H]3CCC1	world
Cc1ccc2c(c1)c1c3n2CCN[C@H]3CCC1	ZINC000000000641	61/40/55/359614055	IWVRVEIKCBFZNF-ZDUSSCGKSA-N	1	226.323	BF	2.93	0	Anodyne	ref	BFAARO	Cc1ccc2c(c1)c1c3n2CC[NH2+][C@H]3CCC1	world
CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)O	ZINC000000035735	67/06/59/342670659	LLMLSUSAKZVFOA-NJGYIYPDSA-N	-1	209.072	BF	2.662	0	Anodyne	ref	BFAARM	CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)[O-]	in-vitro
O=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000000035743	86/56/66/182865666	DXUACWQWQDJZMY-UHFFFAOYSA-N	0	217.18	BF	2.667	0	Bother	ref	BFBARN	O=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1	 
O=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000000035744	33/70/08/384337008	QBYRUURYXPVDAK-UHFFFAOYSA-N	0	217.18	BF	2.667	0	Bother	ref	BFBARN	O=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1	 
CCOC(=O)c1cc2ccccc2nc1C	ZINC000000036674	29/40/45/170294045	DUBPJEDOCJXVKG-UHFFFAOYSA-N	0	215.252	BF	2.72	0	Anodyne	ref	BFAARN	CCOC(=O)c1cc2ccccc2nc1C	 
Nc1cccc(NC(=O)c2cccs2)c1	ZINC000000038192	67/07/43/342670743	XXGXTGNFZPKBNN-UHFFFAOYSA-N	0	218.281	BF	2.583	0	Anodyne	ref	BFAARN	Nc1cccc(NC(=O)c2cccs2)c1	 
O[C@@H](c1ccccc1)c1nc2ccccc2[nH]1	ZINC000000043866	18/60/87/183186087	JEAWPIKEEQZLJQ-ZDUSSCGKSA-N	0	224.263	BF	2.645	0	Anodyne	ref	BFAARN	O[C@@H](c1ccccc1)c1nc2ccccc2[nH]1	 
O[C@H](c1ccccc1)c1nc2ccccc2[nH]1	ZINC000000043867	22/97/75/183229775	JEAWPIKEEQZLJQ-CYBMUJFWSA-N	0	224.263	BF	2.645	0	Anodyne	ref	BFAARN	O[C@H](c1ccccc1)c1nc2ccccc2[nH]1	 
O=C(c1ccc([N+](=O)[O-])cc1)c1cccs1	ZINC000000043880	06/07/66/344060766	XUGHSFUXJPGCLO-UHFFFAOYSA-N	0	233.248	BF	2.887	0	Bother	ref	BFBARN	O=C(c1ccc([N+](=O)[O-])cc1)c1cccs1	 
O=C1CCCc2c1[nH]c1ccc(F)cc21	ZINC000000050815	67/12/35/342671235	KXRCTKTUQDTGQN-UHFFFAOYSA-N	0	203.216	BF	2.826	0	Anodyne	ref	BFAARN	O=C1CCCc2c1[nH]c1ccc(F)cc21	 
CCOc1ccc(CC#N)cc1OCC	ZINC000000052616	54/04/70/170540470	OBDKFHFLERWBBI-UHFFFAOYSA-N	0	205.257	BF	2.55	0	Mild	ref	BFEARN	CCOc1ccc(CC#N)cc1OCC	 
CCOC(=O)c1cc2cc(OC)ccc2nc1C	ZINC000000053127	29/39/15/170293915	DOOZEQYEQPQCGX-UHFFFAOYSA-N	0	245.278	BF	2.729	0	Anodyne	ref	BFAARN	CCOC(=O)c1cc2cc(OC)ccc2nc1C	 
CC(=O)Nc1c(C(C)=O)oc2ccccc12	ZINC000000054786	67/15/43/342671543	KNEXUVWFSJOVDU-UHFFFAOYSA-N	0	217.224	BF	2.594	0	Anodyne	ref	BFAARN	CC(=O)Nc1c(C(C)=O)oc2ccccc12	 
CC(=O)Nc1ccc(Cc2ccncc2)cc1	ZINC000000055175	82/15/53/383821553	PJZVXHILLZKMEX-UHFFFAOYSA-N	0	226.279	BF	2.631	0	Anodyne	ref	BFAARN	CC(=O)Nc1ccc(Cc2ccncc2)cc1	 
Nc1ccc(CCc2ccc(N)cc2)cc1	ZINC000000056505	67/20/09/342672009	UHNUHZHQLCGZDA-UHFFFAOYSA-N	0	212.296	BF	2.636	0	Clean	ref	BFCARN	Nc1ccc(CCc2ccc(N)cc2)cc1	 
COC(=O)COc1ccc(Cl)cc1Cl	ZINC000000057288	61/44/28/173614428	HWIGZMADSFQMOI-UHFFFAOYSA-N	0	235.066	BF	2.545	0	Anodyne	ref	BFAARN	COC(=O)COc1ccc(Cl)cc1Cl	in-vitro
O=[N+]([O-])c1cc2cccnc2c2ncccc12	ZINC000000057716	92/55/98/182925598	PDDBTWXLNJNICS-UHFFFAOYSA-N	0	225.207	BF	2.691	0	Bother	ref	BFBARN	O=[N+]([O-])c1cc2cccnc2c2ncccc12	 
COc1ccc2nc(Cl)c(C=O)cc2c1	ZINC000000058230	22/89/23/175228923	TZQOMBXDCIPJKW-UHFFFAOYSA-N	0	221.643	BF	2.709	0	Anodyne	ref	BFAARN	COc1ccc2nc(Cl)c(C=O)cc2c1	 
COc1cc([N+](=O)[O-])ccc1-c1ccc(C=O)o1	ZINC000000058458	01/75/51/175017551	BEHUPCUZFVRRTD-UHFFFAOYSA-N	0	247.206	BF	2.676	0	Bother	ref	BFBARN	COc1cc([N+](=O)[O-])ccc1-c1ccc(C=O)o1	 
CC(=O)C1=C(NC(=O)c2ccccc2)CCCC1	ZINC000000059850	67/21/18/342672118	PPZVJUASUWWBBD-UHFFFAOYSA-N	0	243.306	BF	2.834	0	Mild	ref	BFEARN	CC(=O)C1=C(NC(=O)c2ccccc2)CCCC1	 
NC(=O)c1c(Cl)nsc1-c1ccccc1	ZINC000000067756	28/60/92/181286092	RCHYXCIEWHPBJW-UHFFFAOYSA-N	0	238.699	BF	2.562	0	Anodyne	ref	BFAARN	NC(=O)c1c(Cl)nsc1-c1ccccc1	 
O=[N+]([O-])c1ccc(-c2cn3ccccc3n2)cc1	ZINC000000072635	92/64/49/182926449	SNBCSKCONKUZBA-UHFFFAOYSA-N	0	239.234	BF	2.91	0	Bother	ref	BFBARN	O=[N+]([O-])c1ccc(-c2cn3ccccc3n2)cc1	 
Nc1ccc(-c2cn3ccccc3n2)cc1	ZINC000000072649	67/27/15/342672715	FPCHINCJTRAFAK-UHFFFAOYSA-N	0	209.252	BF	2.584	0	Anodyne	ref	BFAARN	Nc1ccc(-c2cn3ccccc3n2)cc1	 
c1ccc2[nH]c(-c3cscn3)nc2c1	ZINC000000073711	82/38/08/383823808	WJCNZQLZVWNLKY-UHFFFAOYSA-N	0	201.254	BF	2.686	0	Anodyne	ref	BFAARN	c1ccc2[nH]c(-c3cscn3)nc2c1	world endogenous
O=[N+]([O-])c1ccc2[nH]c3c(c2c1)CCCC3	ZINC000000075850	20/10/99/344201099	IROFVXNXPDWNEU-UHFFFAOYSA-N	0	216.24	BF	2.955	0	Bother	ref	BFBARN	O=[N+]([O-])c1ccc2[nH]c3c(c2c1)CCCC3	 
CCOC(=O)c1c(N)sc2ccccc12	ZINC000000078114	28/92/78/170289278	XNASJEQIJMDBQN-UHFFFAOYSA-N	0	221.281	BF	2.66	0	Anodyne	ref	BFAARN	CCOC(=O)c1c(N)sc2ccccc12	 
Nc1ccc(Br)c2cccnc12	ZINC000000078236	67/29/52/342672952	GEABITRRZOHARP-UHFFFAOYSA-N	0	223.073	BF	2.58	0	Anodyne	ref	BFAARN	Nc1ccc(Br)c2cccnc12	 
O=C(O)c1ccc(NC(=O)c2ccccc2)cc1	ZINC000000078349	07/66/39/358076639	UZKKMWJMAJGMPF-UHFFFAOYSA-N	-1	241.246	BF	2.637	0	Anodyne	ref	BFAARM	O=C([O-])c1ccc(NC(=O)c2ccccc2)cc1	 
Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000000080338	24/51/19/344245119	BOFVBIYTBGDQGY-UHFFFAOYSA-N	0	214.224	BF	2.844	0	Bother	ref	BFBARN	Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1	 
O/N=C1\CCCc2[nH]c3ccccc3c21	ZINC000000083540	82/50/88/383825088	MYJLWCZBXSLDMA-SDNWHVSQSA-N	0	200.241	BF	2.683	0	Mild	ref	BFEARN	O/N=C1\CCCc2[nH]c3ccccc3c21	 
Cc1c(O)ccc2c3c(c(=O)oc12)CCCC3	ZINC000000083600	67/34/01/342673401	OLCPVIMTGKFYJC-UHFFFAOYSA-N	-1	230.263	BF	2.686	3	Anodyne	high	BFAAHM	Cc1c([O-])ccc2c3c(c(=O)oc12)CCCC3	 
Cc1c(O)ccc2c3c(c(=O)oc12)CCCC3	ZINC000000083600	67/33/97/342673397	OLCPVIMTGKFYJC-UHFFFAOYSA-N	0	230.263	BF	2.686	0	Anodyne	ref	BFAARN	Cc1c(O)ccc2c3c(c(=O)oc12)CCCC3	 
Cc1ccc(C)n1-c1ccc(C(=O)O)cc1	ZINC000000083790	50/93/33/178509333	WNZAIUIEXCYTCY-UHFFFAOYSA-N	-1	215.252	BF	2.792	0	Clean	ref	BFCARM	Cc1ccc(C)n1-c1ccc(C(=O)[O-])cc1	 
O=c1oc2cc(O)ccc2c2ccccc12	ZINC000000086978	67/37/69/342673769	WXUQMTRHPNOXBV-UHFFFAOYSA-N	-1	212.204	BF	2.652	1	Bother	mid	BFBAMM	O=c1oc2cc([O-])ccc2c2ccccc12	in-man endogenous
O=c1oc2cc(O)ccc2c2ccccc12	ZINC000000086978	67/37/67/342673767	WXUQMTRHPNOXBV-UHFFFAOYSA-N	0	212.204	BF	2.652	0	Bother	ref	BFBARN	O=c1oc2cc(O)ccc2c2ccccc12	in-man endogenous
O=C(Nc1ccccc1C(=O)O)c1ccccc1	ZINC000000097718	37/77/91/182377791	WXVLIIDDWFGYCV-UHFFFAOYSA-N	-1	241.246	BF	2.637	0	Anodyne	ref	BFAARM	O=C(Nc1ccccc1C(=O)[O-])c1ccccc1	in-man endogenous
O=C(O)c1cccc(NC(=O)c2ccccc2)c1	ZINC000000098489	57/76/60/182577660	WXTOAZQBWHSIQN-UHFFFAOYSA-N	-1	241.246	BF	2.637	0	Anodyne	ref	BFAARM	O=C([O-])c1cccc(NC(=O)c2ccccc2)c1	 
Cc1ccc(-n2nc(C)c(C=O)c2Cl)cc1	ZINC000000106374	34/88/21/178348821	KQWYKJSWCFJJFS-UHFFFAOYSA-N	0	234.686	BF	2.955	0	Anodyne	ref	BFAARN	Cc1ccc(-n2nc(C)c(C=O)c2Cl)cc1	 
O=C(O)c1c2c(nc3ccc(F)cc13)CCCC2	ZINC000000111101	92/35/86/187923586	YIWXZCMEDNUVEH-UHFFFAOYSA-N	-1	245.253	BF	2.951	0	Anodyne	ref	BFAARM	O=C([O-])c1c2c(nc3ccc(F)cc13)CCCC2	 
Nc1ccc2c(c1)COc1ccccc1O2	ZINC000000111233	67/49/50/342674950	BBCNTUPSRJPPRA-UHFFFAOYSA-N	0	213.236	BF	2.954	0	Anodyne	ref	BFAARN	Nc1ccc2c(c1)COc1ccccc1O2	 
O=C(O)c1ccc2nc(-c3ccccc3)cn2c1	ZINC000000113944	33/25/73/386332573	FMKYTRJPDYJNNC-UHFFFAOYSA-N	-1	238.246	BF	2.7	0	Anodyne	ref	BFAARM	O=C([O-])c1ccc2nc(-c3ccccc3)cn2c1	 
O=C1c2ccccc2-c2ccc([N+](=O)[O-])cc21	ZINC000000120441	84/33/77/182843377	AJEAHBZZHSLIQP-UHFFFAOYSA-N	0	225.203	BF	2.806	0	Bother	ref	BFBARN	O=C1c2ccccc2-c2ccc([N+](=O)[O-])cc21	 
Cc1ccccc1NC(=O)c1ccccc1N	ZINC000000122619	30/29/78/179302978	UOXHTELQAYPDBQ-UHFFFAOYSA-N	0	226.279	BF	2.83	0	Anodyne	ref	BFAARN	Cc1ccccc1NC(=O)c1ccccc1N	 
Cc1nc(-c2ccccc2)sc1C(=O)O	ZINC000000122847	83/08/82/383830882	CRSMRBYEBHOYRM-UHFFFAOYSA-N	-1	219.265	BF	2.817	0	Anodyne	ref	BFAARM	Cc1nc(-c2ccccc2)sc1C(=O)[O-]	 
Nc1cccc(-c2nc3ccccc3[nH]2)c1	ZINC000000122913	67/57/36/342675736	JHTBOVFZNCAYFZ-UHFFFAOYSA-N	0	209.252	BF	2.812	0	Anodyne	ref	BFAARN	Nc1cccc(-c2nc3ccccc3[nH]2)c1	 
Nc1ccc(-c2nc3ccccc3[nH]2)cc1	ZINC000000122928	69/62/68/181696268	VQFBXSRZSUJGOF-UHFFFAOYSA-N	0	209.252	BF	2.812	0	Anodyne	ref	BFAARN	Nc1ccc(-c2nc3ccccc3[nH]2)cc1	 
Nc1cccc(NC(=O)c2ccccc2)c1	ZINC000000123066	67/57/32/342675732	IRFCTHNJIWUUJZ-UHFFFAOYSA-N	0	212.252	BF	2.521	0	Anodyne	ref	BFAARN	Nc1cccc(NC(=O)c2ccccc2)c1	 
Nc1ccc(NC(=O)c2ccccc2)cc1	ZINC000000123070	67/56/74/342675674	GTTFJYUWPUKXJH-UHFFFAOYSA-N	0	212.252	BF	2.521	0	Clean	ref	BFCARN	Nc1ccc(NC(=O)c2ccccc2)cc1	in-vitro
Nc1ccc2nn(-c3ccc(Cl)cc3)nc2c1	ZINC000000123094	67/57/46/342675746	GEQWBCPSXJTWRI-UHFFFAOYSA-N	0	244.685	BF	2.656	0	Anodyne	ref	BFAARN	Nc1ccc2nn(-c3ccc(Cl)cc3)nc2c1	 
Nc1ccc(NC(=O)c2ccco2)c(Cl)c1	ZINC000000123105	67/57/42/342675742	XGIDNOGYXJDQFW-UHFFFAOYSA-N	0	236.658	BF	2.768	0	Anodyne	ref	BFAARN	Nc1ccc(NC(=O)c2ccco2)c(Cl)c1	 
Cc1ccccc1C(=O)Nc1cccc(N)c1	ZINC000000123112	25/25/73/179252573	FSBTYWBFOYSCQM-UHFFFAOYSA-N	0	226.279	BF	2.83	0	Anodyne	ref	BFAARN	Cc1ccccc1C(=O)Nc1cccc(N)c1	 
O=C(O)Cn1c(=S)sc2ccccc21	ZINC000000124109	83/14/01/383831401	GFQJZSIWWOBJKT-UHFFFAOYSA-N	-1	225.294	BF	2.517	0	Anodyne	ref	BFAARM	O=C([O-])Cn1c(=S)sc2ccccc21	 
COc1ccc(CNc2ccccc2N)cc1	ZINC000000124768	24/45/93/187244593	WLHZVTMHNONISE-UHFFFAOYSA-N	0	228.295	BF	2.889	0	Anodyne	ref	BFAARN	COc1ccc(CNc2ccccc2N)cc1	 
O=[N+]([O-])c1ccc2c(c1)OC1(CCCC1)O2	ZINC000000124785	55/44/94/344554494	ZCRQRXNOUOCURO-UHFFFAOYSA-N	0	221.212	BF	2.636	0	Bother	ref	BFBARN	O=[N+]([O-])c1ccc2c(c1)OC1(CCCC1)O2	 
Nc1ccc(O)c(-c2nc3ccccc3o2)c1	ZINC000000125049	67/57/21/342675721	JVPMCQUVQZEYKJ-UHFFFAOYSA-N	-1	226.235	BF	2.783	3	Anodyne	high	BFAAHM	Nc1ccc([O-])c(-c2nc3ccccc3o2)c1	 
Nc1ccc(O)c(-c2nc3ccccc3o2)c1	ZINC000000125049	67/57/20/342675720	JVPMCQUVQZEYKJ-UHFFFAOYSA-N	0	226.235	BF	2.783	0	Anodyne	ref	BFAARN	Nc1ccc(O)c(-c2nc3ccccc3o2)c1	 
CC(=O)CSc1nc2ccccc2s1	ZINC000000127565	09/84/24/188098424	YKOPAUBBWPNUKT-UHFFFAOYSA-N	0	223.322	BF	2.977	0	Anodyne	ref	BFAARN	CC(=O)CSc1nc2ccccc2s1	 
FC(F)(F)c1ccccc1-n1cnnc1S	ZINC000000127821	82/97/10/383829710	WIDPGOMVFKGRCT-UHFFFAOYSA-N	0	245.229	BF	2.575	0	Anodyne	ref	BFAARN	FC(F)(F)c1ccccc1N1CN=NC1=S	 
Nc1cccn2cc(-c3ccccc3)nc12	ZINC000000128611	09/86/88/188098688	FVIINQSYAIPCRO-UHFFFAOYSA-N	1	209.252	BF	2.584	2	Anodyne	low	BFAALO	Nc1cccn2cc(-c3ccccc3)[nH+]c12	 
Nc1cccn2cc(-c3ccccc3)nc12	ZINC000000128611	09/86/86/188098686	FVIINQSYAIPCRO-UHFFFAOYSA-N	0	209.252	BF	2.584	0	Anodyne	ref	BFAARN	Nc1cccn2cc(-c3ccccc3)nc12	 
COc1ccc2cc(C(=O)O)ccc2c1	ZINC000000128920	22/41/09/175224109	YZBILXXOZFORFE-UHFFFAOYSA-N	-1	202.209	BF	2.547	0	Anodyne	ref	BFAARM	COc1ccc2cc(C(=O)[O-])ccc2c1	in-vitro
Nc1nc(SCc2ccc(F)cc2)ns1	ZINC000000129527	78/84/66/181788466	RWBUWFIZVUABIP-UHFFFAOYSA-N	0	241.316	BF	2.552	0	Anodyne	ref	BFAARN	Nc1nc(SCc2ccc(F)cc2)ns1	 
O=C(O)c1cccc2c1-c1ccccc1C2	ZINC000000133563	67/62/27/342676227	WJNBLUOXTBTGMB-UHFFFAOYSA-N	-1	210.232	BF	2.956	0	Anodyne	ref	BFAARM	O=C([O-])c1cccc2c1-c1ccccc1C2	 
COc1ccc(C(=O)c2ccccc2)c(O)c1	ZINC000000136138	89/28/71/355892871	DXGLGDHPHMLXJC-UHFFFAOYSA-N	0	228.247	BF	2.632	1	Anodyne	mid	BFAAMN	COc1ccc(C(=O)c2ccccc2)c(O)c1	fda
COc1ccc(C(=O)c2ccccc2)c(O)c1	ZINC000000136138	89/28/67/355892867	DXGLGDHPHMLXJC-UHFFFAOYSA-N	-1	228.247	BF	2.632	0	Anodyne	ref	BFAARM	COc1ccc(C(=O)c2ccccc2)c([O-])c1	fda
CC(=O)c1ccc(N2CCCC2)c(F)c1	ZINC000000139742	46/21/76/166462176	GETWGIMLYQVKIA-UHFFFAOYSA-N	0	207.248	BF	2.629	0	Anodyne	ref	BFAARN	CC(=O)c1ccc(N2CCCC2)c(F)c1	 
COC(=O)c1ccc2c3c(cccc13)CC2	ZINC000000141349	89/11/11/173891111	SKSBXJMIJGEWBR-UHFFFAOYSA-N	0	212.248	BF	2.725	0	Anodyne	ref	BFAARN	COC(=O)c1ccc2c3c(cccc13)CC2	 
O=C(O)c1ccc2[nH]c3c(c2c1)CCCC3	ZINC000000141891	67/66/62/342676662	OWQQDAGRTDUORV-UHFFFAOYSA-N	-1	215.252	BF	2.745	0	Anodyne	ref	BFAARM	O=C([O-])c1ccc2[nH]c3c(c2c1)CCCC3	in-vitro biogenic
CN(C)/C=C/C(=O)c1ccc(Cl)cc1	ZINC000000142346	34/94/13/172349413	TWBABRJLWCBTBS-BQYQJAHWSA-N	0	209.676	BF	2.598	0	Mild	ref	BFEARN	CN(C)/C=C/C(=O)c1ccc(Cl)cc1	 
CN(C)/C=C/C(=O)c1cccc(Cl)c1	ZINC000000142438	35/08/49/172350849	LDBZHHVGVAIVBT-VOTSOKGWSA-N	0	209.676	BF	2.598	0	Mild	ref	BFEARN	CN(C)/C=C/C(=O)c1cccc(Cl)c1	 
O=c1onc(-c2ccccc2)c2ccccc12	ZINC000000144008	01/29/95/183012995	FUSZISDRVACNBS-UHFFFAOYSA-N	0	223.231	BF	2.855	0	Anodyne	ref	BFAARN	O=c1onc(-c2ccccc2)c2ccccc12	 
CCOC(=O)c1sc2ccccc2c1N	ZINC000000145157	31/06/87/170310687	XZSFZYVMRZLUOJ-UHFFFAOYSA-N	0	221.281	BF	2.66	0	Anodyne	ref	BFAARN	CCOC(=O)c1sc2ccccc2c1N	 
Cc1cc(C)nc(Nc2cccc(C(=O)O)c2)n1	ZINC000000150076	94/70/31/177947031	PYBQOOXFPKGJPP-UHFFFAOYSA-N	-1	243.266	BF	2.535	0	Anodyne	ref	BFAARM	Cc1cc(C)nc(Nc2cccc(C(=O)[O-])c2)n1	 
Cc1ccc(NC(=O)c2ccccc2N)cc1	ZINC000000150125	75/33/42/178753342	ULNAKLMMGXHGJQ-UHFFFAOYSA-N	0	226.279	BF	2.83	0	Anodyne	ref	BFAARN	Cc1ccc(NC(=O)c2ccccc2N)cc1	 
Nc1ccccc1C(=O)Nc1ccccc1	ZINC000000150129	75/29/47/181752947	FDPVTENMNDHFNK-UHFFFAOYSA-N	0	212.252	BF	2.521	0	Anodyne	ref	BFAARN	Nc1ccccc1C(=O)Nc1ccccc1	 
C[C@H](NC(=O)c1ccccc1N)c1ccccc1	ZINC000000150133	83/31/71/383833171	KBRHMOXICLSVTL-NSHDSACASA-N	0	240.306	BF	2.76	0	Anodyne	ref	BFAARN	C[C@H](NC(=O)c1ccccc1N)c1ccccc1	 
C[C@@H](NC(=O)c1ccccc1N)c1ccccc1	ZINC000000150134	85/06/70/175850670	KBRHMOXICLSVTL-LLVKDONJSA-N	0	240.306	BF	2.76	0	Anodyne	ref	BFAARN	C[C@@H](NC(=O)c1ccccc1N)c1ccccc1	 
Cc1cccc(CSc2nnc(N)s2)c1	ZINC000000151316	67/74/31/342677431	IGGNLNYRCDYOLB-UHFFFAOYSA-N	0	237.353	BF	2.721	0	Anodyne	ref	BFAARN	Cc1cccc(CSc2nnc(N)s2)c1	 
Nc1ccccc1C(=O)Nc1ccc(F)cc1	ZINC000000152528	67/73/43/342677343	CVDGBBCJEMBUAZ-UHFFFAOYSA-N	0	230.242	BF	2.66	0	Anodyne	ref	BFAARN	Nc1ccccc1C(=O)Nc1ccc(F)cc1	 
O=C(O)/C=C/c1c(F)cccc1Cl	ZINC000000152630	41/22/64/182412264	NDWALECYVLNBQG-SNAWJCMRSA-N	-1	200.596	BF	2.577	0	Anodyne	ref	BFAARM	O=C([O-])/C=C/c1c(F)cccc1Cl	 
Cc1cc(Br)cc(C)c1N	ZINC000000152830	67/74/80/342677480	QGLAYJCJLHNIGJ-UHFFFAOYSA-N	0	200.079	BF	2.648	0	Anodyne	ref	BFAARN	Cc1cc(Br)cc(C)c1N	 
Cc1cc(C=O)c(C)n1-c1ccc(C(=O)O)cc1	ZINC000000153442	95/03/08/177950308	GPYVXQQXXCPCGK-UHFFFAOYSA-N	-1	243.262	BF	2.605	0	Clean	ref	BFCARM	Cc1cc(C=O)c(C)n1-c1ccc(C(=O)[O-])cc1	 
O=C1CCCN1c1ccc(Br)cc1	ZINC000000155729	67/77/15/342677715	YINFEFUSAQRZGG-UHFFFAOYSA-N	0	240.1	BF	2.576	0	Anodyne	ref	BFAARN	O=C1CCCN1c1ccc(Br)cc1	 
COC(=O)c1cc(Cl)sc1Cl	ZINC000000156638	83/62/29/383836229	VCXPHMKCDRPIDG-UHFFFAOYSA-N	0	211.069	BF	2.842	0	Anodyne	ref	BFAARN	COC(=O)c1cc(Cl)sc1Cl	 
Cc1ccc(-n2nc3cc(C)c(N)cc3n2)cc1	ZINC000000156786	34/87/04/178348704	WPWFGODZYVRBTJ-UHFFFAOYSA-N	0	238.294	BF	2.62	0	Anodyne	ref	BFAARN	Cc1ccc(-n2nc3cc(C)c(N)cc3n2)cc1	 
Brc1cncc2ccccc12	ZINC000000157206	10/63/72/166106372	SCRBSGZBTHKAHU-UHFFFAOYSA-N	0	208.058	BF	2.997	0	Anodyne	ref	BFAARN	Brc1cncc2ccccc12	in-vitro
O=C(O)C12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2	ZINC000000157278	40/74/19/187407419	GMOBHRQSNDDZAD-JZVMUCMXSA-N	-1	214.692	BF	2.649	0	Anodyne	ref	BFAARM	O=C([O-])C12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2	 
C[C@H](Br)C(=O)c1ccccc1	ZINC000000157478	17/74/69/560177469	WPDWOCRJBPXJFM-ZETCQYMHSA-N	0	213.074	BF	2.653	0	Reactive	ref	BFGARN	C[C@H](Br)C(=O)c1ccccc1	in-vitro
C[C@@H](Br)C(=O)c1ccccc1	ZINC000000157479	17/74/93/560177493	WPDWOCRJBPXJFM-SSDOTTSWSA-N	0	213.074	BF	2.653	0	Reactive	ref	BFGARN	C[C@@H](Br)C(=O)c1ccccc1	in-vitro
Nc1ccc(NC(=O)c2cccs2)cc1	ZINC000000157515	67/81/23/342678123	JAANUULEQHTUGY-UHFFFAOYSA-N	0	218.281	BF	2.583	0	Clean	ref	BFCARN	Nc1ccc(NC(=O)c2cccs2)cc1	 
Cc1nc(-c2ccccc2)sc1C=O	ZINC000000159072	83/56/85/383835685	QRPSQJOXOZJEHJ-UHFFFAOYSA-N	0	203.266	BF	2.931	0	Anodyne	ref	BFAARN	Cc1nc(-c2ccccc2)sc1C=O	 
S=c1[nH]nc2sc3ccccc3n12	ZINC000000160118	31/45/26/183314526	QTXZICUYCJDYLP-UHFFFAOYSA-N	-1	207.283	BF	2.607	1	Anodyne	mid	BFAAMM	S=c1[n-]nc2sc3ccccc3n12	 
S=c1[nH]nc2sc3ccccc3n12	ZINC000000160118	31/45/21/183314521	QTXZICUYCJDYLP-UHFFFAOYSA-N	0	207.283	BF	2.607	0	Anodyne	ref	BFAARN	S=c1[nH]nc2sc3ccccc3n12	 
ClCc1nccn1Cc1ccccc1	ZINC000000161482	17/76/01/560177601	VDIVGSUHQVOULM-UHFFFAOYSA-N	1	206.676	BF	2.67	2	Reactive	low	BFGALO	ClCc1[nH+]ccn1Cc1ccccc1	in-vitro
ClCc1nccn1Cc1ccccc1	ZINC000000161482	17/75/99/560177599	VDIVGSUHQVOULM-UHFFFAOYSA-N	0	206.676	BF	2.67	0	Reactive	ref	BFGARN	ClCc1nccn1Cc1ccccc1	in-vitro
O=C(O)c1cc2cc([N+](=O)[O-])ccc2s1	ZINC000000161939	56/05/25/182560525	ZGSMHACHDULBBY-UHFFFAOYSA-N	-1	223.209	BF	2.508	0	Bother	ref	BFBARM	O=C([O-])c1cc2cc([N+](=O)[O-])ccc2s1	 
O=C(O)/C=C/c1ccc(Br)cc1	ZINC000000164560	83/96/54/383839654	CPDDDTNAMBSPRN-ZZXKWVIFSA-N	-1	227.057	BF	2.547	0	Anodyne	ref	BFAARM	O=C([O-])/C=C/c1ccc(Br)cc1	in-vitro