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
C[C@H](C(=O)O)c1ccc(C[C@H]2CCCC2=O)cc1	ZINC000000000435	58/60/43/176586043	YMBXTVYHTMGZDW-GXFFZTMASA-N	-1	246.306	BF	2.786	0	Anodyne	ref	BFAARM	C[C@H](C(=O)[O-])c1ccc(C[C@H]2CCCC2=O)cc1	world
Cc1cccc(C)c1NC(=O)[C@H]1CCCCN1C	ZINC000000000456	04/25/73/179042573	INWLQCZOYSRPNW-CYBMUJFWSA-N	1	246.354	BF	2.726	1	Anodyne	mid	BFAAMO	Cc1cccc(C)c1NC(=O)[C@H]1CCCC[N@@H+]1C	fda
Cc1cccc(C)c1NC(=O)[C@H]1CCCCN1C	ZINC000000000456	04/25/72/179042572	INWLQCZOYSRPNW-CYBMUJFWSA-N	1	246.354	BF	2.726	1	Anodyne	mid	BFAAMO	Cc1cccc(C)c1NC(=O)[C@H]1CCCC[N@H+]1C	fda
Cc1cccc(C)c1NC(=O)[C@H]1CCCCN1C	ZINC000000000456	04/25/69/179042569	INWLQCZOYSRPNW-CYBMUJFWSA-N	0	246.354	BF	2.726	0	Anodyne	ref	BFAARN	Cc1cccc(C)c1NC(=O)[C@H]1CCCCN1C	fda
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
CNC(=O)Oc1cccc2ccccc12	ZINC000000001090	29/33/43/173293343	CVXBEEMKQHEXEN-UHFFFAOYSA-N	0	201.225	BF	2.558	0	Anodyne	ref	BFAARN	CNC(=O)Oc1cccc2ccccc12	in-man
CC(C)(Oc1ccc(Cl)cc1)C(=O)O	ZINC000000001187	81/80/40/383818040	TXCGAZHTZHNUAI-UHFFFAOYSA-N	-1	214.648	BF	2.582	0	Anodyne	ref	BFAARM	CC(C)(Oc1ccc(Cl)cc1)C(=O)[O-]	world
CCOC(=O)c1cncn1[C@H](C)c1ccccc1	ZINC000000001408	30/31/92/170303192	NPUKDXXFDDZOKR-LLVKDONJSA-N	0	244.294	BF	2.669	0	Anodyne	ref	BFAARN	CCOC(=O)c1cncn1[C@H](C)c1ccccc1	fda
CC(C)(C(=O)c1cccnc1)c1cccnc1	ZINC000000001728	66/94/66/342669466	FJLBFSROUSIWMA-UHFFFAOYSA-N	0	226.279	BF	2.637	0	Anodyne	ref	BFAARN	CC(C)(C(=O)c1cccnc1)c1cccnc1	fda
Oc1ccc(OCc2ccccc2)cc1	ZINC000000001748	27/74/92/183277492	VYQNWZOUAUKGHI-UHFFFAOYSA-N	0	200.237	BF	2.971	0	Anodyne	ref	BFAARN	Oc1ccc(OCc2ccccc2)cc1	world
Cc1ccsc1/C=C/C1=NCCCN1C	ZINC000000001750	66/93/84/342669384	NVEPPWDVLBMNMB-SNAWJCMRSA-N	1	220.341	BF	2.804	0	Anodyne	ref	BFAARO	Cc1ccsc1/C=C/C1=[NH+]CCCN1C	world
CCN(CC)CCc1nc(-c2ccccc2)no1	ZINC000000001874	66/93/34/342669334	IDCHQQSVJAAUQQ-UHFFFAOYSA-N	0	245.326	BF	2.621	3	Anodyne	high	BFAAHN	CCN(CC)CCc1nc(-c2ccccc2)no1	world
CCN(CC)CCc1nc(-c2ccccc2)no1	ZINC000000001874	66/93/31/342669331	IDCHQQSVJAAUQQ-UHFFFAOYSA-N	1	245.326	BF	2.621	0	Anodyne	ref	BFAARO	CC[NH+](CC)CCc1nc(-c2ccccc2)no1	world
O=C(Nc1ccccc1)c1ccccc1O	ZINC000000002057	37/81/92/182378192	WKEDVNSFRWHDNR-UHFFFAOYSA-N	-1	213.236	BF	2.645	1	Anodyne	mid	BFAAMM	O=C(Nc1ccccc1)c1ccccc1[O-]	in-man
O=C(Nc1ccccc1)c1ccccc1O	ZINC000000002057	37/81/89/182378189	WKEDVNSFRWHDNR-UHFFFAOYSA-N	0	213.236	BF	2.645	0	Anodyne	ref	BFAARN	O=C(Nc1ccccc1)c1ccccc1O	in-man
O=C(O)Cc1ccc(-c2ccccc2)cc1	ZINC000000002318	81/80/22/383818022	QRZAKQDHEVVFRX-UHFFFAOYSA-N	-1	212.248	BF	2.981	0	Anodyne	ref	BFAARM	O=C([O-])Cc1ccc(-c2ccccc2)cc1	world
Clc1ccc([C@]23CNC[C@H]2C3)cc1Cl	ZINC000000003189	66/95/68/342669568	BSMNRYCSBFHEMQ-KCJUWKMLSA-N	1	228.122	BF	2.854	0	Anodyne	ref	BFAARO	Clc1ccc([C@]23C[NH2+]C[C@H]2C3)cc1Cl	investigational
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
CN1CCC(c2c[nH]c3ccc(O)cc23)CC1	ZINC000000007339	99/99/86/172999986	WKNFADCGOAHBPG-UHFFFAOYSA-N	1	230.311	BF	2.683	0	Anodyne	ref	BFAARO	C[NH+]1CCC(c2c[nH]c3ccc(O)cc23)CC1	in-vitro
Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1	ZINC000000014036	26/09/16/183260916	CDRPUGZCRXZLFL-OWOJBTEDSA-N	0	244.246	BF	2.679	0	Clean	ref	BFCARN	Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1	in-man endogenous
CC(C)(C)NC[C@@H](O)c1ccccc1Cl	ZINC000000020236	08/37/50/491083750	YREYLAVBNPACJM-LLVKDONJSA-N	1	227.735	BF	2.762	0	Anodyne	ref	BFAARO	CC(C)(C)[NH2+]C[C@@H](O)c1ccccc1Cl	world
CCN(CC)CC(=O)Nc1c(C)cccc1C	ZINC000000020237	08/37/31/491083731	NNJVILVZKWQKPM-UHFFFAOYSA-N	0	234.343	BF	2.584	1	Anodyne	mid	BFAAMN	CCN(CC)CC(=O)Nc1c(C)cccc1C	fda
CCN(CC)CC(=O)Nc1c(C)cccc1C	ZINC000000020237	08/37/29/491083729	NNJVILVZKWQKPM-UHFFFAOYSA-N	1	234.343	BF	2.584	0	Anodyne	ref	BFAARO	CC[NH+](CC)CC(=O)Nc1c(C)cccc1C	fda
S=C(NNc1ccccc1)NC1CCCCC1	ZINC000000037281	31/13/84/183311384	DCFLHKOWKJTAAZ-UHFFFAOYSA-N	0	249.383	BF	2.81	0	Anodyne	ref	BFAARN	S=C(NNc1ccccc1)NC1CCCCC1	 
C/C=C/C(=O)N(CC)c1ccccc1C	ZINC000000056427	09/91/55/188099155	DNTGGZPQPQTDQF-XBXARRHUSA-N	0	203.285	BF	2.924	0	Anodyne	ref	BFAARN	C/C=C/C(=O)N(CC)c1ccccc1C	fda
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)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
CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	ZINC000000057464	67/21/46/342672146	WKSAUQYGYAYLPV-UHFFFAOYSA-N	0	248.717	BF	2.524	1	Anodyne	mid	BFAAMN	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	fda
CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	ZINC000000057464	67/21/45/342672145	WKSAUQYGYAYLPV-UHFFFAOYSA-N	1	248.717	BF	2.524	0	Anodyne	ref	BFAARO	CCc1[nH+]c(N)nc(N)c1-c1ccc(Cl)cc1	fda
CC(C)(C)NC[C@H](O)c1ccccc1Cl	ZINC000000057521	63/41/97/166634197	YREYLAVBNPACJM-NSHDSACASA-N	1	227.735	BF	2.762	0	Anodyne	ref	BFAARO	CC(C)(C)[NH2+]C[C@H](O)c1ccccc1Cl	world
COc1c2ccoc2cc2oc(=O)ccc12	ZINC000000057731	04/46/03/363044603	BGEBZHIAGXMEMV-UHFFFAOYSA-N	0	216.192	BF	2.548	0	Anodyne	ref	BFAARN	COc1c2ccoc2cc2oc(=O)ccc12	world endogenous
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=C1C(=Cc2cccnc2)C(=O)c2ccccc21	ZINC000000076034	67/31/29/342673129	OMHZFEWYVFWVLI-UHFFFAOYSA-N	0	235.242	BF	2.544	0	Mild	ref	BFEARN	O=C1C(=Cc2cccnc2)C(=O)c2ccccc21	in-vitro
NC(=O)[C@H]1CCCc2c1[nH]c1ccc(Cl)cc21	ZINC000000093985	28/22/33/181282233	FUZYTVDVLBBXDL-VIFPVBQESA-N	0	248.713	BF	2.727	0	Anodyne	ref	BFAARN	NC(=O)[C@H]1CCCc2c1[nH]c1ccc(Cl)cc21	investigational
NC(=O)[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21	ZINC000000093989	27/02/80/181270280	FUZYTVDVLBBXDL-SECBINFHSA-N	0	248.713	BF	2.727	0	Anodyne	ref	BFAARN	NC(=O)[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21	investigational
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
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
Cc1cccc(C)c1NC(=O)[C@@H]1CCCCN1C	ZINC000000154964	04/22/92/179042292	INWLQCZOYSRPNW-ZDUSSCGKSA-N	1	246.354	BF	2.726	1	Anodyne	mid	BFAAMO	Cc1cccc(C)c1NC(=O)[C@@H]1CCCC[N@@H+]1C	fda
Cc1cccc(C)c1NC(=O)[C@@H]1CCCCN1C	ZINC000000154964	04/22/89/179042289	INWLQCZOYSRPNW-ZDUSSCGKSA-N	1	246.354	BF	2.726	1	Anodyne	mid	BFAAMO	Cc1cccc(C)c1NC(=O)[C@@H]1CCCC[N@H+]1C	fda
Cc1cccc(C)c1NC(=O)[C@@H]1CCCCN1C	ZINC000000154964	04/22/86/179042286	INWLQCZOYSRPNW-ZDUSSCGKSA-N	0	246.354	BF	2.726	0	Anodyne	ref	BFAARN	Cc1cccc(C)c1NC(=O)[C@@H]1CCCCN1C	fda
O=C(c1ccccc1)[C@H](O)c1ccccc1	ZINC000000236100	68/08/86/342680886	ISAOCJYIOMOJEB-CYBMUJFWSA-N	0	212.248	BF	2.603	0	Anodyne	ref	BFAARN	O=C(c1ccccc1)[C@H](O)c1ccccc1	in-man endogenous
O=C(Nc1cc2cc[nH]c2cn1)c1ccccc1	ZINC000000289948	35/13/68/182351368	HWJRIFZDXJKJJN-UHFFFAOYSA-N	0	237.262	BF	2.815	0	Anodyne	ref	BFAARN	O=C(Nc1cc2cc[nH]c2cn1)c1ccccc1	in-vitro
O=C(Nc1cccc(Cl)c1)c1ccccn1	ZINC000000362766	36/85/96/182368596	SUYUTNCKIOLMAJ-UHFFFAOYSA-N	0	232.67	BF	2.987	0	Anodyne	ref	BFAARN	O=C(Nc1cccc(Cl)c1)c1ccccn1	in-vitro
Oc1ccc([C@@H]2COc3cc(O)ccc3C2)cc1	ZINC000000388660	41/09/95/574410995	ADFCQWZHKCXPAJ-LBPRGKRZSA-N	0	242.274	BF	2.817	0	Anodyne	ref	BFAARN	Oc1ccc([C@@H]2COc3cc(O)ccc3C2)cc1	in-vitro endogenous
Oc1ccc([C@H]2COc3cc(O)ccc3C2)cc1	ZINC000000388661	27/78/29/183277829	ADFCQWZHKCXPAJ-GFCCVEGCSA-N	0	242.274	BF	2.817	0	Anodyne	ref	BFAARN	Oc1ccc([C@H]2COc3cc(O)ccc3C2)cc1	investigational endogenous
C[C@H](c1cc2ccccc2s1)N(O)C(N)=O	ZINC000000896731	03/17/79/177031779	MWLSOWXNZPKENC-SSDOTTSWSA-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	ZINC000000896731	03/17/77/177031777	MWLSOWXNZPKENC-SSDOTTSWSA-N	0	236.296	BF	2.732	0	Anodyne	ref	BFAARN	C[C@H](c1cc2ccccc2s1)N(O)C(N)=O	fda
Oc1ccc(CCc2cc(O)cc(O)c2)cc1	ZINC000000899123	26/89/80/183268980	HITJFUSPLYBJPE-UHFFFAOYSA-N	0	230.263	BF	2.589	0	Anodyne	ref	BFAARN	Oc1ccc(CCc2cc(O)cc(O)c2)cc1	biogenic in-vivo
CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O	ZINC000001531790	90/32/31/383903231	QZPQTZZNNJUOLS-UHFFFAOYSA-N	0	242.274	BF	2.752	0	Mild	ref	BFEARN	CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O	investigational biogenic
O=C(O)CCCC[C@H]1CCSS1	ZINC000001532729	12/51/47/560125147	AGBQKNBQESQNJD-ZETCQYMHSA-N	-1	206.332	BF	2.785	0	Reactive	ref	BFGARM	O=C([O-])CCCC[C@H]1CCSS1	world biogenic
O=C(O)CCCC[C@@H]1CCSS1	ZINC000001544807	75/39/95/275753995	AGBQKNBQESQNJD-SSDOTTSWSA-N	-1	206.332	BF	2.785	0	Reactive	ref	BFGARM	O=C([O-])CCCC[C@@H]1CCSS1	world endogenous
OC1c2ccccc2CCc2ccccc21	ZINC000001760835	03/21/46/183032146	POAVRNPUPPJLKZ-UHFFFAOYSA-N	0	210.276	BF	2.867	0	Anodyne	ref	BFAARN	OC1c2ccccc2CCc2ccccc21	in-vitro
C[C@@H](C(=O)O)c1ccc(C[C@H]2CCCC2=O)cc1	ZINC000001846128	62/65/45/175626545	YMBXTVYHTMGZDW-ZWNOBZJWSA-N	-1	246.306	BF	2.786	0	Anodyne	ref	BFAARM	C[C@@H](C(=O)[O-])c1ccc(C[C@H]2CCCC2=O)cc1	world
C[C@H](C(=O)O)c1ccc(C[C@@H]2CCCC2=O)cc1	ZINC000001846129	71/28/32/342712832	YMBXTVYHTMGZDW-GWCFXTLKSA-N	-1	246.306	BF	2.786	0	Anodyne	ref	BFAARM	C[C@H](C(=O)[O-])c1ccc(C[C@@H]2CCCC2=O)cc1	world
C[C@@H](C(=O)O)c1ccc(C[C@@H]2CCCC2=O)cc1	ZINC000001846130	71/29/01/342712901	YMBXTVYHTMGZDW-MFKMUULPSA-N	-1	246.306	BF	2.786	0	Anodyne	ref	BFAARM	C[C@@H](C(=O)[O-])c1ccc(C[C@@H]2CCCC2=O)cc1	world
C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1	ZINC000002041380	94/57/17/383945717	XSBSKEQEUFOSDD-UHFFFAOYSA-N	2	240.435	BF	2.638	0	Bother	ref	BFBARP	C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1	world
CCCCC[C@@H]1C(=O)CC[C@@H]1CC(=O)OC	ZINC000002077814	71/57/67/342715767	KVWWIYGFBYDJQC-MNOVXSKESA-N	0	226.316	BF	2.725	0	Anodyne	ref	BFAARN	CCCCC[C@@H]1C(=O)CC[C@@H]1CC(=O)OC	in-vitro biogenic
CCCCC[C@H]1C(=O)CC[C@@H]1CC(=O)OC	ZINC000002077816	74/58/40/168745840	KVWWIYGFBYDJQC-GHMZBOCLSA-N	0	226.316	BF	2.725	0	Anodyne	ref	BFAARN	CCCCC[C@H]1C(=O)CC[C@@H]1CC(=O)OC	in-man endogenous
CCCCC[C@@H]1C(=O)CC[C@H]1CC(=O)OC	ZINC000002077817	63/50/03/359635003	KVWWIYGFBYDJQC-QWRGUYRKSA-N	0	226.316	BF	2.725	0	Anodyne	ref	BFAARN	CCCCC[C@@H]1C(=O)CC[C@H]1CC(=O)OC	in-vitro
CCCCC[C@H]1C(=O)CC[C@H]1CC(=O)OC	ZINC000002077819	63/51/68/359635168	KVWWIYGFBYDJQC-WDEREUQCSA-N	0	226.316	BF	2.725	0	Anodyne	ref	BFAARN	CCCCC[C@H]1C(=O)CC[C@H]1CC(=O)OC	in-vitro
COc1ccc2cc([C@@H](C)O)ccc2c1	ZINC000002382886	22/50/37/175225037	OUVJWFRUESFCCY-SECBINFHSA-N	0	202.253	BF	2.902	0	Anodyne	ref	BFAARN	COc1ccc2cc([C@@H](C)O)ccc2c1	in-vitro
COc1c2occc2cc2ccc(=O)oc12	ZINC000002548959	72/38/58/342723858	QXKHYNVANLEOEG-UHFFFAOYSA-N	0	216.192	BF	2.548	0	Anodyne	ref	BFAARN	COc1c2occc2cc2ccc(=O)oc12	fda biogenic
COc1ccc2[nH]cc(C3=CCNCC3)c2c1	ZINC000002568243	20/20/54/175202054	KRVMLPUDAOWOGN-UHFFFAOYSA-N	1	228.295	BF	2.553	0	Anodyne	ref	BFAARO	COc1ccc2[nH]cc(C3=CC[NH2+]CC3)c2c1	investigational
Nc1ccc2cc3ccc(N)cc3nc2c1	ZINC000003775644	73/76/13/342737613	WDVSHHCDHLJJJR-UHFFFAOYSA-N	0	209.252	BF	2.552	3	Bother	high	BFBAHN	Nc1ccc2cc3ccc(N)cc3nc2c1	fda
Nc1ccc2cc3ccc(N)cc3nc2c1	ZINC000003775644	73/76/12/342737612	WDVSHHCDHLJJJR-UHFFFAOYSA-N	1	209.252	BF	2.552	0	Bother	ref	BFBARO	Nc1ccc2cc3ccc(N)cc3[nH+]c2c1	fda
Clc1ccc([C@@]23CNC[C@@H]2C3)cc1Cl	ZINC000003973106	74/01/98/342740198	BSMNRYCSBFHEMQ-GZMMTYOYSA-N	1	228.122	BF	2.854	0	Anodyne	ref	BFAARO	Clc1ccc([C@@]23C[NH2+]C[C@@H]2C3)cc1Cl	investigational
COc1ccc2cc([C@H](C)O)ccc2c1	ZINC000004071865	22/43/78/175224378	OUVJWFRUESFCCY-VIFPVBQESA-N	0	202.253	BF	2.902	0	Anodyne	ref	BFAARN	COc1ccc2cc([C@H](C)O)ccc2c1	in-vitro
CC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1	ZINC000004578619	41/12/23/187411223	MIHJCLQINRFOLX-UHFFFAOYSA-N	0	248.16	BF	2.572	0	Bother	ref	BFBARN	CC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1	in-vitro
C=C1C(=O)O[C@H]2[C@H]1CC/C(C)=C\CC[C@@]1(C)O[C@@H]21	ZINC000005125148	25/91/99/346259199	KTEXNACQROZXEV-QLIGOWBFSA-N	0	248.322	BF	2.762	0	Mild	ref	BFEBRN	C=C1C(=O)O[C@H]2[C@H]1CC/C(C)=C\CC[C@@]1(C)O[C@@H]21	in-vitro biogenic
CCC1(c2cnc[nH]2)Cc2ccccc2C1	ZINC000005424171	76/39/57/342763957	HSWPZIDYAHLZDD-UHFFFAOYSA-N	1	212.296	BF	2.856	2	Anodyne	low	BFAALO	CCC1(c2c[nH+]c[nH]2)Cc2ccccc2C1	in-man
CCC1(c2cnc[nH]2)Cc2ccccc2C1	ZINC000005424171	76/39/56/342763956	HSWPZIDYAHLZDD-UHFFFAOYSA-N	1	212.296	BF	2.856	2	Anodyne	low	BFAALO	CCC1(c2c[nH]c[nH+]2)Cc2ccccc2C1	in-man
CCC1(c2cnc[nH]2)Cc2ccccc2C1	ZINC000005424171	76/39/55/342763955	HSWPZIDYAHLZDD-UHFFFAOYSA-N	0	212.296	BF	2.856	0	Anodyne	ref	BFAARN	CCC1(c2c[nH]cn2)Cc2ccccc2C1	in-man
Nc1ccc(N=Nc2ccccc2)c(N)n1	ZINC000012358980	84/99/14/342849914	QPFYXYFORQJZEC-UHFFFAOYSA-N	1	213.244	BF	2.661	1	Anodyne	mid	BFAAMO	Nc1ccc(N=Nc2ccccc2)c(N)[nH+]1	in-vitro
Nc1ccc(N=Nc2ccccc2)c(N)n1	ZINC000012358980	84/99/12/342849912	QPFYXYFORQJZEC-UHFFFAOYSA-N	0	213.244	BF	2.661	0	Anodyne	ref	BFAARN	Nc1ccc(N=Nc2ccccc2)c(N)n1	in-vitro
CCc1ccc(/C=C2\SC(=S)NC2=O)cc1	ZINC000012406716	85/14/92/342851492	SVXDHPADAXBMFB-YFHOEESVSA-N	-1	249.36	BF	2.738	1	Clean	mid	BFCAMM	CCc1ccc(C=C2SC(=S)[N-]C2=O)cc1	in-vitro
CCc1ccc(/C=C2\SC(=S)NC2=O)cc1	ZINC000012406716	85/14/87/342851487	SVXDHPADAXBMFB-YFHOEESVSA-N	0	249.36	BF	2.738	0	Clean	ref	BFCARN	CCc1ccc(C=C2SC(=S)NC2=O)cc1	in-vitro
CCOC(=O)c1cncn1[C@@H](C)c1ccccc1	ZINC000017364045	30/39/12/170303912	NPUKDXXFDDZOKR-NSHDSACASA-N	0	244.294	BF	2.669	0	Anodyne	ref	BFAARN	CCOC(=O)c1cncn1[C@@H](C)c1ccccc1	world
CC(C)Cn1cnc2c(N)nc3ccccc3c21	ZINC000019632912	25/27/40/187252740	DOUYETYNHWVLEO-UHFFFAOYSA-N	0	240.31	BF	2.823	0	Anodyne	ref	BFAARN	CC(C)Cn1cnc2c(N)nc3ccccc3c21	fda
Nc1ccc(/N=N/c2ccccc2)c(N)n1	ZINC000095483532	37/76/07/384377607	QPFYXYFORQJZEC-FOCLMDBBSA-N	1	213.244	BF	2.661	1	Clean	mid	BFCAMO	Nc1ccc(/N=N/c2ccccc2)c(N)[nH+]1	world aggregator
Nc1ccc(/N=N/c2ccccc2)c(N)n1	ZINC000095483532	37/75/98/384377598	QPFYXYFORQJZEC-FOCLMDBBSA-N	0	213.244	BF	2.661	0	Clean	ref	BFCARN	Nc1ccc(/N=N/c2ccccc2)c(N)n1	world aggregator
O=C1c2ccccc2-c2[nH]nc3cccc1c23	ZINC000096298875	45/04/44/384450444	ACPOUJIDANTYHO-UHFFFAOYSA-N	0	220.231	BF	2.774	1	Anodyne	mid	BFAAMN	O=C1c2ccccc2-c2[nH]nc3cccc1c23	world
O=C1c2ccccc2-c2[nH]nc3cccc1c23	ZINC000096298875	45/04/35/384450435	ACPOUJIDANTYHO-UHFFFAOYSA-N	0	220.231	BF	2.774	0	Anodyne	ref	BFAARN	O=C1c2ccccc2-c2n[nH]c3cccc1c23	world
O=C(O)/C(S)=C/c1c[nH]c2ccc(F)cc12	ZINC000100026540	61/08/23/384610823	HWMQHECFXSVZGN-KMKOMSMNSA-N	-1	237.255	BF	2.662	0	Anodyne	ref	BFAARM	O=C([O-])C(=S)Cc1c[nH]c2ccc(F)cc12	 
O/N=C1\c2ccccc2-c2nc3ccccc3nc21	ZINC000100561477	47/11/09/387471109	SZHHSFHOIDCNLD-NBVRZTHBSA-N	-1	247.257	BF	2.837	3	Mild	high	BFEAHM	[O-]/N=C1\c2ccccc2-c2nc3ccccc3nc21	 
O/N=C1\c2ccccc2-c2nc3ccccc3nc21	ZINC000100561477	47/10/97/387471097	SZHHSFHOIDCNLD-NBVRZTHBSA-N	0	247.257	BF	2.837	0	Mild	ref	BFEARN	O/N=C1\c2ccccc2-c2nc3ccccc3nc21	 
N[C@@H]1C[C@H]1c1ccc(-c2cccc(O)c2)cc1	ZINC000103229022	60/11/05/181601105	DSOJSZXQRJGBCW-LSDHHAIUSA-N	1	225.291	BF	2.874	0	Anodyne	ref	BFABRO	[NH3+][C@@H]1C[C@H]1c1ccc(-c2cccc(O)c2)cc1	 
N[C@@H]1C[C@@H]1c1ccc(-c2cccc(O)c2)cc1	ZINC000114026924	54/02/98/370540298	DSOJSZXQRJGBCW-HUUCEWRRSA-N	1	225.291	BF	2.874	0	Anodyne	ref	BFABRO	[NH3+][C@@H]1C[C@@H]1c1ccc(-c2cccc(O)c2)cc1	 
N[C@H]1C[C@@H]1c1ccc(-c2cccc(O)c2)cc1	ZINC000114026926	02/07/63/384020763	DSOJSZXQRJGBCW-CABCVRRESA-N	1	225.291	BF	2.874	0	Anodyne	ref	BFAARO	[NH3+][C@H]1C[C@@H]1c1ccc(-c2cccc(O)c2)cc1	in-vitro
N[C@H]1C[C@H]1c1ccc(-c2cccc(O)c2)cc1	ZINC000114026929	83/89/96/342838996	DSOJSZXQRJGBCW-GJZGRUSLSA-N	1	225.291	BF	2.874	0	Anodyne	ref	BFABRO	[NH3+][C@H]1C[C@H]1c1ccc(-c2cccc(O)c2)cc1