COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000000621853	12/60/54/560126054	IAKHMKGGTNLKSZ-INIZCTEOSA-N	0	399.443	GF	2.872	0	Anodyne	ref	GFAARN	COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=O)CC2	fda biogenic
COc1cc2c(c(OC)c1OC)-c1ccc(O)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000002040495	92/50/34/203925034	PRGILOMAMBLWNG-HNNXBMFYSA-N	0	385.416	GF	2.569	0	Anodyne	ref	GFAARN	COc1cc2c(c(OC)c1OC)-c1ccc(O)c(=O)cc1[C@@H](NC(C)=O)CC2	in-vitro biogenic
C[C@H]1CN(c2c(F)c(F)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@@H](C)N1	ZINC000003882891	02/17/24/204021724	QIPQASLPWJVQMH-DTORHVGOSA-N	-1	395.381	GF	2.639	3	Anodyne	high	GFAAHM	C[C@H]1CN(c2c(F)c(F)c3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)C[C@@H](C)N1	world
C[C@H]1CN(c2c(F)c(F)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@@H](C)N1	ZINC000003882891	02/17/21/204021721	QIPQASLPWJVQMH-DTORHVGOSA-N	0	395.381	GF	2.639	0	Anodyne	ref	GFAARN	C[C@H]1CN(c2c(F)c(F)c3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)C[C@@H](C)[NH2+]1	world
O=C(O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Cl)cc1	ZINC000003886295	66/92/95/220669295	IEFVFKOHASQYES-INIZCTEOSA-N	-1	378.837	GF	2.796	0	Anodyne	ref	GFAARM	O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Cl)cc1	 
C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O	ZINC000003982471	72/22/08/290722208	SHIBSTMRCDJXLN-KCZCNTNESA-N	0	390.52	GF	2.575	0	Anodyne	ref	GFAARN	C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O	world biogenic
C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@H]2C[C@@H](O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O	ZINC000003982473	19/30/42/560193042	SHIBSTMRCDJXLN-GGIHJJFESA-N	0	390.52	GF	2.575	0	Anodyne	ref	GFAARN	C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@H]2C[C@@H](O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O	in-vitro
CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2)CC1	ZINC000004099034	35/74/08/570357408	NOCJXYPHIIZEHN-UHFFFAOYSA-N	0	399.397	GF	2.719	2	Anodyne	low	GFAALN	C[NH+]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3-c2ccc(F)cc2)CC1	in-man
CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2)CC1	ZINC000004099034	35/74/03/570357403	NOCJXYPHIIZEHN-UHFFFAOYSA-N	-1	399.397	GF	2.719	0	Anodyne	ref	GFAARM	CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3-c2ccc(F)cc2)CC1	in-man
COc1ccc(/C=C2\Oc3cc(OCC(=O)O)ccc3C2=O)c(OC)c1OC	ZINC000012890034	23/58/72/209235872	XTQQTKSKFOECKX-PXNMLYILSA-N	-1	386.356	GF	2.792	0	Mild	ref	GFEARM	COc1ccc(/C=C2\Oc3cc(OCC(=O)[O-])ccc3C2=O)c(OC)c1OC	 
COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(OCC(=O)O)ccc2C1=O	ZINC000012890073	72/66/00/570726600	UVINHYZXXRBXIF-WSVATBPTSA-N	-1	386.356	GF	2.792	0	Mild	ref	GFEARM	COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(OCC(=O)[O-])ccc2C1=O	 
COc1cc(/C=C2\Oc3cc(OCC(=O)O)ccc3C2=O)cc(OC)c1OC	ZINC000012890159	29/50/43/206295043	BLCUCBSJNHGPDF-UUASQNMZSA-N	-1	386.356	GF	2.792	0	Mild	ref	GFEARM	COc1cc(/C=C2\Oc3cc(OCC(=O)[O-])ccc3C2=O)cc(OC)c1OC	 
OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1	ZINC000019632628	14/42/27/207144227	URKOMYMAXPYINW-UHFFFAOYSA-N	1	383.517	GF	2.856	1	Anodyne	mid	GFAAMO	OCCOCC[NH+]1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1	fda
OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1	ZINC000019632628	14/42/25/207144225	URKOMYMAXPYINW-UHFFFAOYSA-N	0	383.517	GF	2.856	0	Anodyne	ref	GFAARN	OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1	fda
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCCC(=O)O)[C@H]21	ZINC000216627139	74/54/80/211745480	ZVMXAIYIRBWSAF-IBGZPJMESA-N	-1	396.399	GF	2.683	0	Unstable	ref	GFIARM	COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCCC(=O)[O-])[C@H]21	 
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCCC(=O)O)[C@@H]21	ZINC000216627183	74/45/34/211744534	ZVMXAIYIRBWSAF-LJQANCHMSA-N	-1	396.399	GF	2.683	0	Unstable	ref	GFIARM	COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCCC(=O)[O-])[C@@H]21