CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3	ZINC000000009073	50/76/03/371507603	VMWNQDUVQKEIOC-CYBMUJFWSA-N	0	267.328	CF	2.85	1	Clean	mid	CFCAMN	CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3	fda biogenic
CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3	ZINC000000009073	50/76/00/371507600	VMWNQDUVQKEIOC-CYBMUJFWSA-N	1	267.328	CF	2.85	1	Clean	mid	CFCAMO	C[N@H+]1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3	fda biogenic
CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3	ZINC000000009073	50/75/95/371507595	VMWNQDUVQKEIOC-CYBMUJFWSA-N	1	267.328	CF	2.85	0	Clean	ref	CFCARO	C[N@@H+]1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3	fda biogenic
CN(C)C[C@H](c1ccc(O)cc1)C1(O)CCCCC1	ZINC000000009342	44/61/85/393446185	KYYIDSXMWOZKMP-OAHLLOKOSA-N	0	263.381	CF	2.733	3	Anodyne	high	CFAAHN	CN(C)C[C@H](c1ccc(O)cc1)C1(O)CCCCC1	fda
CN(C)C[C@H](c1ccc(O)cc1)C1(O)CCCCC1	ZINC000000009342	44/61/73/393446173	KYYIDSXMWOZKMP-OAHLLOKOSA-N	1	263.381	CF	2.733	0	Anodyne	ref	CFAARO	C[NH+](C)C[C@H](c1ccc(O)cc1)C1(O)CCCCC1	fda
Nc1c(Br)cc(Br)cc1C=O	ZINC000000057067	34/41/62/295344162	RCPAZWISSAVDEA-UHFFFAOYSA-N	0	278.931	CF	2.606	0	Anodyne	ref	CFAARN	Nc1c(Br)cc(Br)cc1C=O	in-vitro
O=C(O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O	ZINC000000403496	27/42/51/304274251	ISPVACVJFUIDPD-UHFFFAOYSA-N	-1	281.67	CF	2.827	0	Anodyne	ref	CFAARM	O=C([O-])c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O	in-vitro
CNC[C@H](c1ccc(OC)cc1)C1(O)CCCCC1	ZINC000002525884	28/29/03/277282903	MKAFOJAJJMUXLW-OAHLLOKOSA-N	1	263.381	CF	2.693	0	Anodyne	ref	CFAARO	C[NH2+]C[C@H](c1ccc(OC)cc1)C1(O)CCCCC1	world endogenous
CN(C)C[C@@H](c1ccc(O)cc1)C1(O)CCCCC1	ZINC000002525885	45/42/16/393454216	KYYIDSXMWOZKMP-HNNXBMFYSA-N	0	263.381	CF	2.733	3	Anodyne	high	CFAAHN	CN(C)C[C@@H](c1ccc(O)cc1)C1(O)CCCCC1	fda
CN(C)C[C@@H](c1ccc(O)cc1)C1(O)CCCCC1	ZINC000002525885	45/42/04/393454204	KYYIDSXMWOZKMP-HNNXBMFYSA-N	1	263.381	CF	2.733	0	Anodyne	ref	CFAARO	C[NH+](C)C[C@@H](c1ccc(O)cc1)C1(O)CCCCC1	fda
CCCCCCNC(=N)N/C(N)=N\c1ccc(Cl)cc1	ZINC000005782449	46/27/15/393462715	SVTOENGNWAMDOJ-UHFFFAOYSA-N	1	295.818	CF	2.98	3	Mild	high	CFEBHO	CCCCCCNC(=[NH2+])NC(=N)Nc1ccc(Cl)cc1	in-vitro
CCCCCCNC(=N)N/C(N)=N\c1ccc(Cl)cc1	ZINC000005782449	46/27/02/393462702	SVTOENGNWAMDOJ-UHFFFAOYSA-N	2	295.818	CF	2.98	0	Mild	ref	CFEBRP	CCCCCCNC(=[NH2+])NC(=[NH2+])Nc1ccc(Cl)cc1	in-vitro
Cc1ccccc1-n1c(CF)nc2ccc(N)cc2c1=O	ZINC000013831145	62/45/57/292624557	VDOSWXIDETXFET-UHFFFAOYSA-N	0	283.306	CF	2.746	0	Anodyne	ref	CFAARN	Cc1ccccc1-n1c(CF)nc2ccc(N)cc2c1=O	in-man
CCCSc1ccc2[nH]/c(=N/C(=O)OC)[nH]c2c1	ZINC000017146904	12/91/66/372129166	HXHWSAZORRCQMX-UHFFFAOYSA-N	0	265.338	CF	2.665	1	Anodyne	mid	CFAAMN	CCCSc1ccc2nc(NC(=O)OC)[nH]c2c1	fda
CCCSc1ccc2[nH]/c(=N/C(=O)OC)[nH]c2c1	ZINC000017146904	12/91/54/372129154	HXHWSAZORRCQMX-UHFFFAOYSA-N	0	265.338	CF	2.665	0	Anodyne	ref	CFAARN	CCCSc1ccc2[nH]c(NC(=O)OC)nc2c1	fda
c1ccc(C(c2ccccc2)N2CCNCC2)cc1	ZINC000019230112	15/12/28/372151228	NWVNXDKZIQLBNM-UHFFFAOYSA-N	1	252.361	CF	2.681	0	Anodyne	ref	CFAARO	c1ccc(C(c2ccccc2)N2CC[NH2+]CC2)cc1	in-vitro
CNC[C@@H](c1ccc(OC)cc1)C1(O)CCCCC1	ZINC000021981408	27/49/38/277274938	MKAFOJAJJMUXLW-HNNXBMFYSA-N	1	263.381	CF	2.693	0	Anodyne	ref	CFAARO	C[NH2+]C[C@@H](c1ccc(OC)cc1)C1(O)CCCCC1	world endogenous
CCC1=C(C)CN(C(=O)NCCc2ccccc2)C1=O	ZINC000022058889	35/16/51/171351651	VAQWDIFLYGGQLK-UHFFFAOYSA-N	0	272.348	CF	2.507	0	Anodyne	ref	CFAARN	CCC1=C(C)CN(C(=O)NCCc2ccccc2)C1=O	in-vitro
CCOC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc21	ZINC000067665148	78/16/58/175781658	ZXHMVDVCMQIUCB-CYBMUJFWSA-N	0	283.327	CF	2.77	0	Anodyne	ref	CFABRN	CCOC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc21	in-vitro
CCOC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc21	ZINC000067665150	78/16/56/175781656	ZXHMVDVCMQIUCB-ZDUSSCGKSA-N	0	283.327	CF	2.77	0	Anodyne	ref	CFABRN	CCOC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc21	in-vitro
C/C(O)=C(/C#N)C(=O)Nc1ccc(C(F)(F)F)cc1	ZINC000100054543	88/11/53/264881153	UTNUDOFZCWSZMS-JXMROGBWSA-N	-1	270.21	CF	2.999	3	Reactive	high	CFGAHM	CC([O-])=C(C#N)C(=O)Nc1ccc(C(F)(F)F)cc1	world
C/C(O)=C(/C#N)C(=O)Nc1ccc(C(F)(F)F)cc1	ZINC000100054543	88/11/40/264881140	UTNUDOFZCWSZMS-JXMROGBWSA-N	0	270.21	CF	2.999	0	Reactive	ref	CFGARN	CC(=O)C(C#N)C(=O)Nc1ccc(C(F)(F)F)cc1	world