O=C(c1ccccc1)[C@@H](O)c1ccccc1	ZINC000000000076	67/69/29/182676929	ISAOCJYIOMOJEB-ZDUSSCGKSA-N	0	212.248	BF	2.603	0	Anodyne	ref	BFAARN	O=C(c1ccccc1)[C@@H](O)c1ccccc1	in-man endogenous
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
C[C@@H](c1cc2ccccc2s1)N(O)C(N)=O	ZINC000000000850	01/28/99/176012899	MWLSOWXNZPKENC-ZETCQYMHSA-N	-1	236.296	BF	2.732	3	Anodyne	high	BFAAHM	C[C@@H](c1cc2ccccc2s1)N([O-])C(N)=O	fda
C[C@@H](c1cc2ccccc2s1)N(O)C(N)=O	ZINC000000000850	01/28/96/176012896	MWLSOWXNZPKENC-ZETCQYMHSA-N	0	236.296	BF	2.732	0	Anodyne	ref	BFAARN	C[C@@H](c1cc2ccccc2s1)N(O)C(N)=O	fda
COc1ccc2cccc(CCNC(C)=O)c2c1	ZINC000000005608	22/60/30/175226030	YJYPHIXNFHFHND-UHFFFAOYSA-N	0	243.306	BF	2.527	0	Anodyne	ref	BFAARN	COc1ccc2cccc(CCNC(C)=O)c2c1	world
Nc1nc2ccc(OC(F)(F)F)cc2s1	ZINC000000006481	66/97/70/342669770	FTALBRSUTCGOEG-UHFFFAOYSA-N	0	234.202	BF	2.777	0	Anodyne	ref	BFAARN	Nc1nc2ccc(OC(F)(F)F)cc2s1	fda
Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1	ZINC000000006787	26/54/60/183265460	LUKBXSAWLPMMSZ-OWOJBTEDSA-N	0	228.247	BF	2.974	0	Anodyne	ref	BFAARN	Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1	world endogenous
Cc1ccc(C)n1-c1cccc(C(=O)O)c1	ZINC000000029114	67/00/12/342670012	NJPUZFUOUGTNOV-UHFFFAOYSA-N	-1	215.252	BF	2.792	0	Clean	ref	BFCARM	Cc1ccc(C)n1-c1cccc(C(=O)[O-])c1	in-vivo
Cc1cc(C)nc(Nc2ccccc2C(=O)O)n1	ZINC000000032530	94/68/51/177946851	ZVKKVDGNHFQSNX-UHFFFAOYSA-N	-1	243.266	BF	2.535	0	Anodyne	ref	BFAARM	Cc1cc(C)nc(Nc2ccccc2C(=O)[O-])n1	 
CC(C)(C)c1cc(C(=O)O)nn1-c1ccccc1	ZINC000000032855	67/02/99/342670299	CBLDQVQVGAYZED-UHFFFAOYSA-N	-1	244.294	BF	2.868	0	Anodyne	ref	BFAARM	CC(C)(C)c1cc(C(=O)[O-])nn1-c1ccccc1	 
O=C(O)c1ccc(N2Cc3ccccc3C2)cc1	ZINC000000033845	56/86/18/182568618	YLWWJMYNWJSUNG-UHFFFAOYSA-N	-1	239.274	BF	2.905	0	Anodyne	ref	BFAARM	O=C([O-])c1ccc(N2Cc3ccccc3C2)cc1	 
O=C(O)C(c1ccccc1)c1ccccc1	ZINC000000034687	42/06/29/387420629	PYHXGXCGESYPCW-UHFFFAOYSA-N	-1	212.248	BF	2.903	0	Anodyne	ref	BFAARM	O=C([O-])C(c1ccccc1)c1ccccc1	in-vivo
O=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000000035742	33/58/98/384335898	RTSOJVJDKNKNFU-UHFFFAOYSA-N	0	217.18	BF	2.667	0	Bother	ref	BFBARN	O=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1	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)c1ccc(-c2ccc(C=O)o2)cc1	ZINC000000035746	29/45/30/170294530	UWLKFGFYBKJASW-UHFFFAOYSA-N	0	244.246	BF	2.936	0	Anodyne	ref	BFAARN	CCOC(=O)c1ccc(-c2ccc(C=O)o2)cc1	 
Cc1nn(-c2ccccc2)c(Cl)c1C=O	ZINC000000035783	33/11/78/180331178	DKZPJLZXLKAMDO-UHFFFAOYSA-N	0	220.659	BF	2.647	0	Anodyne	ref	BFAARN	Cc1nn(-c2ccccc2)c(Cl)c1C=O	 
COc1cc(C=O)ccc1OCC(C)C	ZINC000000035840	97/70/74/174977074	AIAGRBSXKXJZFB-UHFFFAOYSA-N	0	208.257	BF	2.543	0	Anodyne	ref	BFAARN	COc1cc(C=O)ccc1OCC(C)C	 
Oc1ccc(-c2nc3ccccc3[nH]2)cc1	ZINC000000038453	26/63/68/183266368	REOGMBVECOGANJ-UHFFFAOYSA-N	0	210.236	BF	2.936	0	Anodyne	ref	BFAARN	Oc1ccc(-c2nc3ccccc3[nH]2)cc1	 
O=C(O)c1ccc(COc2ccccc2)o1	ZINC000000043875	67/13/58/342671358	KPSLIMYRDNBEGK-UHFFFAOYSA-N	-1	218.208	BF	2.557	0	Anodyne	ref	BFAARM	O=C([O-])c1ccc(COc2ccccc2)o1	 
CC(=O)CC(=O)Nc1ccccc1C(F)(F)F	ZINC000000050085	81/98/86/383819886	VATRWWPJWVCZTA-UHFFFAOYSA-N	0	245.2	BF	2.623	0	Anodyne	ref	BFAARN	CC(=O)CC(=O)Nc1ccccc1C(F)(F)F	 
CCOC(=O)c1c(C)n(C)c2ccc(OC)cc12	ZINC000000050482	28/83/65/170288365	VWUZPMIHHYWEQB-UHFFFAOYSA-N	0	247.294	BF	2.672	0	Anodyne	ref	BFAARN	CCOC(=O)c1c(C)n(C)c2ccc(OC)cc12	 
COc1ccc(CNc2ccccn2)cc1	ZINC000000050499	67/12/06/342671206	SMJGJENXFSWIMQ-UHFFFAOYSA-N	1	214.268	BF	2.702	2	Anodyne	low	BFAALO	COc1ccc(CNc2cccc[nH+]2)cc1	 
COc1ccc(CNc2ccccn2)cc1	ZINC000000050499	67/12/05/342671205	SMJGJENXFSWIMQ-UHFFFAOYSA-N	0	214.268	BF	2.702	0	Anodyne	ref	BFAARN	COc1ccc(CNc2ccccn2)cc1	 
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	 
CC1(C)C[C@@H](NCc2ccccc2)CCO1	ZINC000000051287	67/11/88/342671188	MSWLMOCCTHCSBL-ZDUSSCGKSA-N	1	219.328	BF	2.734	0	Anodyne	ref	BFAARO	CC1(C)C[C@@H]([NH2+]Cc2ccccc2)CCO1	 
CC1(C)C[C@H](NCc2ccccc2)CCO1	ZINC000000051288	99/19/44/167991944	MSWLMOCCTHCSBL-CYBMUJFWSA-N	1	219.328	BF	2.734	0	Anodyne	ref	BFAARO	CC1(C)C[C@H]([NH2+]Cc2ccccc2)CCO1	 
CCOC(=O)c1cc2cc(Cl)ccc2[nH]1	ZINC000000056441	29/37/06/170293706	LWKIFKYHCJAIAB-UHFFFAOYSA-N	0	223.659	BF	2.998	0	Anodyne	ref	BFAARN	CCOC(=O)c1cc2cc(Cl)ccc2[nH]1	 
C/C=C/c1cc(OC)c(OC)cc1OC	ZINC000000056550	24/45/60/187244560	RKFAZBXYICVSKP-AATRIKPKSA-N	0	208.257	BF	2.746	0	Anodyne	ref	BFAARN	C/C=C/c1cc(OC)c(OC)cc1OC	in-man endogenous
O=C(O)c1c(F)cccc1C(F)(F)F	ZINC000000056713	67/18/64/342671864	LNARMXLVVGHCRP-UHFFFAOYSA-N	-1	208.11	BF	2.543	0	Anodyne	ref	BFAARM	O=C([O-])c1c(F)cccc1C(F)(F)F	 
O=C(O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000000056965	56/07/76/182560776	FXZTYDPWMQBTDH-UHFFFAOYSA-N	-1	233.179	BF	2.553	0	Bother	ref	BFBARM	O=C([O-])c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	 
CCN(CC)c1ccc2c(C)cc(=O)oc2c1	ZINC000000057145	82/16/55/383821655	AFYCEAFSNDLKSX-UHFFFAOYSA-N	0	231.295	BF	2.948	0	Anodyne	ref	BFAARN	CCN(CC)c1ccc2c(C)cc(=O)oc2c1	in-vitro
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=C(O)CCCc1c[nH]c2ccccc12	ZINC000000057378	44/14/78/182441478	JTEDVYBZBROSJT-UHFFFAOYSA-N	-1	203.241	BF	2.575	0	Anodyne	ref	BFAARM	O=C([O-])CCCc1c[nH]c2ccccc12	in-man endogenous
O=c1cc(C(F)(F)F)c2ccc(O)cc2o1	ZINC000000057916	67/21/51/342672151	CCKWMCUOHJAVOL-UHFFFAOYSA-N	-1	230.141	BF	2.517	1	Anodyne	mid	BFAAMM	O=c1cc(C(F)(F)F)c2ccc([O-])cc2o1	 
O=c1cc(C(F)(F)F)c2ccc(O)cc2o1	ZINC000000057916	67/21/50/342672150	CCKWMCUOHJAVOL-UHFFFAOYSA-N	0	230.141	BF	2.517	0	Anodyne	ref	BFAARN	O=c1cc(C(F)(F)F)c2ccc(O)cc2o1	 
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(C)c1nc2ccccc2n1CCC(=O)O	ZINC000000065286	67/23/19/342672319	BFFRQVUJZBVVHX-UHFFFAOYSA-N	0	232.283	BF	2.634	2	Anodyne	low	BFAALN	CC(C)c1[nH+]c2ccccc2n1CCC(=O)[O-]	 
CC(C)c1nc2ccccc2n1CCC(=O)O	ZINC000000065286	67/23/16/342672316	BFFRQVUJZBVVHX-UHFFFAOYSA-N	-1	232.283	BF	2.634	0	Anodyne	ref	BFAARM	CC(C)c1nc2ccccc2n1CCC(=O)[O-]	 
OC(COc1ccccc1)COc1ccccc1	ZINC000000066296	82/22/20/383822220	NKCVHIPHZCIEFC-UHFFFAOYSA-N	0	244.29	BF	2.505	0	Anodyne	ref	BFAARN	OC(COc1ccccc1)COc1ccccc1	 
Nc1ccc(Br)c2cccnc12	ZINC000000078236	67/29/52/342672952	GEABITRRZOHARP-UHFFFAOYSA-N	0	223.073	BF	2.58	0	Anodyne	ref	BFAARN	Nc1ccc(Br)c2cccnc12	 
Nc1ccc(C(=O)OC2CCCCC2)cc1	ZINC000000080710	67/32/75/342673275	OVZZSSYVRJEJQF-UHFFFAOYSA-N	0	219.284	BF	2.758	0	Anodyne	ref	BFAARN	Nc1ccc(C(=O)OC2CCCCC2)cc1	 
COc1ccc([C@H](C#N)C(C)C)cc1OC	ZINC000000082538	24/46/55/187244655	NFXAXMOAVPLEBH-LLVKDONJSA-N	0	219.284	BF	2.967	0	Mild	ref	BFEARN	COc1ccc([C@H](C#N)C(C)C)cc1OC	 
COc1ccc([C@@H](C#N)C(C)C)cc1OC	ZINC000000082541	27/24/91/188272491	NFXAXMOAVPLEBH-NSHDSACASA-N	0	219.284	BF	2.967	0	Mild	ref	BFEARN	COc1ccc([C@@H](C#N)C(C)C)cc1OC	 
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
Nc1cc(C(F)(F)F)ccc1N1CCCC1	ZINC000000091115	68/01/84/181680184	HPDFKXPVMXSXGE-UHFFFAOYSA-N	0	230.233	BF	2.888	0	Anodyne	ref	BFAARN	Nc1cc(C(F)(F)F)ccc1N1CCCC1	 
Cc1noc(C)c1COc1ccc(C(=O)O)cc1	ZINC000000091803	82/30/31/383823031	FZZOXUGENAQGIJ-UHFFFAOYSA-N	-1	247.25	BF	2.569	0	Anodyne	ref	BFAARM	Cc1noc(C)c1COc1ccc(C(=O)[O-])cc1	 
CC(=O)c1ccc(Br)s1	ZINC000000096540	24/45/71/187244571	IGBZCOWXSCWSHO-UHFFFAOYSA-N	0	205.076	BF	2.713	0	Anodyne	ref	BFAARN	CC(=O)c1ccc(Br)s1	 
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
Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1	ZINC000000105284	82/69/87/383826987	NZRHOWNFGASHMN-UHFFFAOYSA-N	0	248.289	BF	2.788	0	Anodyne	ref	BFAARN	Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1	 
NCC[C@H](Cc1ccccc1)c1ccco1	ZINC000000105975	40/70/32/181407032	VXTXUDSXGALJHG-CYBMUJFWSA-N	1	215.296	BF	2.955	0	Anodyne	ref	BFAARO	[NH3+]CC[C@H](Cc1ccccc1)c1ccco1	 
NCC[C@@H](Cc1ccccc1)c1ccco1	ZINC000000105977	82/76/12/383827612	VXTXUDSXGALJHG-ZDUSSCGKSA-N	1	215.296	BF	2.955	0	Anodyne	ref	BFAARO	[NH3+]CC[C@@H](Cc1ccccc1)c1ccco1	 
O=C(O)COc1ccc(-c2ccccc2)cc1	ZINC000000116651	82/94/53/383829453	UEXMWDXKHUIBSJ-UHFFFAOYSA-N	-1	228.247	BF	2.817	0	Anodyne	ref	BFAARM	O=C([O-])COc1ccc(-c2ccccc2)cc1	 
COc1c2ccoc2cc2oc(C)cc(=O)c12	ZINC000000120179	93/66/82/174936682	NZVQLVGOZRELTG-UHFFFAOYSA-N	0	230.219	BF	2.856	0	Anodyne	ref	BFAARN	COc1c2ccoc2cc2oc(C)cc(=O)c12	in-vitro biogenic
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	 
Nc1ccc(-c2nc3ccccc3o2)c(O)c1	ZINC000000123059	67/57/93/342675793	KUANTGJTSYDEOS-UHFFFAOYSA-N	-1	226.235	BF	2.783	3	Anodyne	high	BFAAHM	Nc1ccc(-c2nc3ccccc3o2)c([O-])c1	 
Nc1ccc(-c2nc3ccccc3o2)c(O)c1	ZINC000000123059	67/57/92/342675792	KUANTGJTSYDEOS-UHFFFAOYSA-N	0	226.235	BF	2.783	0	Anodyne	ref	BFAARN	Nc1ccc(-c2nc3ccccc3o2)c(O)c1	 
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(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	 
Nc1ccc(Oc2ccc(C(=O)O)cc2)cc1	ZINC000000127654	67/59/48/342675948	DVFCGSZRLJQHJA-UHFFFAOYSA-N	-1	229.235	BF	2.759	0	Clean	ref	BFCARM	Nc1ccc(Oc2ccc(C(=O)[O-])cc2)cc1	 
CCOC(=O)c1cc2cc(C)ccc2[nH]1	ZINC000000129029	29/39/87/170293987	KMVFKXFOPNKHEM-UHFFFAOYSA-N	0	203.241	BF	2.653	0	Anodyne	ref	BFAARN	CCOC(=O)c1cc2cc(C)ccc2[nH]1	 
Nc1nc2ccccc2n1Cc1ccccc1	ZINC000000132982	79/45/06/181794506	LXIDSOCBAAMGJX-UHFFFAOYSA-N	0	223.279	BF	2.667	1	Anodyne	mid	BFAAMN	Nc1nc2ccccc2n1Cc1ccccc1	 
Nc1nc2ccccc2n1Cc1ccccc1	ZINC000000132982	79/45/01/181794501	LXIDSOCBAAMGJX-UHFFFAOYSA-N	1	223.279	BF	2.667	0	Anodyne	ref	BFAARO	Nc1[nH+]c2ccccc2n1Cc1ccccc1	 
c1ccc2cc(OC[C@H]3CO3)ccc2c1	ZINC000000134031	45/77/27/183457727	BKYSFVJCBRHGMA-ZDUSSCGKSA-N	0	200.237	BF	2.617	0	Mild	ref	BFEARN	c1ccc2cc(OC[C@H]3CO3)ccc2c1	 
c1ccc2cc(OC[C@@H]3CO3)ccc2c1	ZINC000000134035	83/34/10/383833410	BKYSFVJCBRHGMA-CYBMUJFWSA-N	0	200.237	BF	2.617	0	Mild	ref	BFEARN	c1ccc2cc(OC[C@@H]3CO3)ccc2c1	 
O=C(Cc1ccccc1)c1ccc(O)cc1	ZINC000000134606	04/51/06/182045106	JBQTZLNCDIFCCO-UHFFFAOYSA-N	-1	212.248	BF	2.818	1	Anodyne	mid	BFAAMM	O=C(Cc1ccccc1)c1ccc([O-])cc1	 
O=C(Cc1ccccc1)c1ccc(O)cc1	ZINC000000134606	04/51/04/182045104	JBQTZLNCDIFCCO-UHFFFAOYSA-N	0	212.248	BF	2.818	0	Anodyne	ref	BFAARN	O=C(Cc1ccccc1)c1ccc(O)cc1	 
O=C1C(Cl)=C(Cl)C(=O)c2ccccc21	ZINC000000135323	71/26/10/182712610	SVPKNMBRVBMTLB-UHFFFAOYSA-N	0	227.046	BF	2.755	0	Mild	ref	BFEARN	O=C1C(Cl)=C(Cl)C(=O)c2ccccc21	in-vivo
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
O=C(O)c1ncc(Cl)c(Cl)c1Cl	ZINC000000139449	27/28/22/188272822	SKURPVMALGSJSE-UHFFFAOYSA-N	-1	226.446	BF	2.74	0	Anodyne	ref	BFAARM	O=C([O-])c1ncc(Cl)c(Cl)c1Cl	 
COc1ccccc1[C@@H](CCN)c1ccco1	ZINC000000141560	34/61/06/175346106	OTDIXAAZRDFVIV-GFCCVEGCSA-N	1	231.295	BF	2.769	0	Anodyne	ref	BFAARO	COc1ccccc1[C@@H](CC[NH3+])c1ccco1	 
COc1ccccc1[C@H](CCN)c1ccco1	ZINC000000141563	35/29/50/175352950	OTDIXAAZRDFVIV-LBPRGKRZSA-N	1	231.295	BF	2.769	0	Anodyne	ref	BFAARO	COc1ccccc1[C@H](CC[NH3+])c1ccco1	 
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	 
COc1cc(/C=C/C(=O)O)ccc1OC(C)C	ZINC000000147909	67/70/33/342677033	HCIFIHNJOLFAAX-FNORWQNLSA-N	-1	236.267	BF	2.58	0	Anodyne	ref	BFAARM	COc1cc(/C=C/C(=O)[O-])ccc1OC(C)C	 
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	 
Cc1cc(C)nc(Nc2ccc(C(=O)O)cc2)n1	ZINC000000150077	67/71/28/342677128	YVQYEHFOENIYSU-UHFFFAOYSA-N	-1	243.266	BF	2.535	0	Anodyne	ref	BFAARM	Cc1cc(C)nc(Nc2ccc(C(=O)[O-])cc2)n1	 
O=C(O)c1ccc(OC2CCCC2)cc1	ZINC000000151503	67/74/23/342677423	NSTJDFGPPOXIAT-UHFFFAOYSA-N	-1	206.241	BF	2.706	0	Anodyne	ref	BFAARM	O=C([O-])c1ccc(OC2CCCC2)cc1	 
CC(C)Oc1ccc(/C=C/C(=O)O)cc1	ZINC000000152372	29/07/47/167290747	COFJCCOVYSOPKE-VMPITWQZSA-N	-1	206.241	BF	2.572	0	Anodyne	ref	BFAARM	CC(C)Oc1ccc(/C=C/C(=O)[O-])cc1	 
NNc1ncnc2scc(-c3ccccc3)c12	ZINC000000152446	67/73/70/342677370	HKYLLTSMUHTLBT-UHFFFAOYSA-N	0	242.307	BF	2.644	0	Anodyne	ref	BFAARN	NN=c1nc[nH]c2scc(-c3ccccc3)c12	 
O=C(O)c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000000155127	56/89/26/344568926	XUFDYUSOQQYQRL-UHFFFAOYSA-N	-1	233.179	BF	2.553	0	Bother	ref	BFBARM	O=C([O-])c1ccc(-c2ccccc2[N+](=O)[O-])o1	in-vivo
O=C(O)CCc1cccc2ccccc12	ZINC000000155621	61/82/51/359618251	PRLKVVMRQFFIOQ-UHFFFAOYSA-N	-1	200.237	BF	2.857	0	Anodyne	ref	BFAARM	O=C([O-])CCc1cccc2ccccc12	 
CC(=O)c1cc(Cl)cc(Cl)c1O	ZINC000000156199	83/62/53/383836253	CJFYGRLJDKWMDI-UHFFFAOYSA-N	0	205.04	BF	2.902	1	Anodyne	mid	BFAAMN	CC(=O)c1cc(Cl)cc(Cl)c1O	 
CC(=O)c1cc(Cl)cc(Cl)c1O	ZINC000000156199	83/62/45/383836245	CJFYGRLJDKWMDI-UHFFFAOYSA-N	-1	205.04	BF	2.902	0	Anodyne	ref	BFAARM	CC(=O)c1cc(Cl)cc(Cl)c1[O-]	 
O=C(O)c1ccc(-c2ccccc2F)o1	ZINC000000157137	67/79/00/342677900	GRMHOKHCKXBRIB-UHFFFAOYSA-N	-1	206.172	BF	2.784	0	Anodyne	ref	BFAARM	O=C([O-])c1ccc(-c2ccccc2F)o1	 
COc1ccc(C(=O)Nc2ccccc2)cc1N	ZINC000000157178	06/38/75/175063875	LHMQDVIHBXWNII-UHFFFAOYSA-N	0	242.278	BF	2.53	0	Anodyne	ref	BFAARN	COc1ccc(C(=O)Nc2ccccc2)cc1N	 
O=C(O)c1ccccc1C(=O)c1ccccc1	ZINC000000157193	58/11/42/182581142	FGTYTUFKXYPTML-UHFFFAOYSA-N	-1	226.231	BF	2.616	0	Anodyne	ref	BFAARM	O=C([O-])c1ccccc1C(=O)c1ccccc1	 
Nc1ccc(N2CCCCC2)c(Cl)c1	ZINC000000157383	31/28/36/132312836	NIGYLYWAEONQRX-UHFFFAOYSA-N	0	210.708	BF	2.913	0	Anodyne	ref	BFAARN	Nc1ccc(N2CCCCC2)c(Cl)c1	 
Nc1cc2nn(-c3ccccc3)nc2cc1Cl	ZINC000000157516	69/26/47/181692647	VQJOWEVCMNYOEK-UHFFFAOYSA-N	0	244.685	BF	2.656	0	Anodyne	ref	BFAARN	Nc1cc2nn(-c3ccccc3)nc2cc1Cl	 
O=C(O)c1ccc(Oc2ccccc2)nc1	ZINC000000158917	67/81/14/342678114	GFEUNYLQJDQNAN-UHFFFAOYSA-N	-1	215.208	BF	2.572	0	Anodyne	ref	BFAARM	O=C([O-])c1ccc(Oc2ccccc2)nc1	 
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