COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@H](NC(C)=O)CC2	ZINC000000607790	16/40/47/212164047	IAKHMKGGTNLKSZ-MRXNPFEDSA-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(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
CC(=O)SC[C@H](Cc1ccccc1)C(=O)NCC(=O)OCc1ccccc1	ZINC000001546843	33/17/64/209331764	ODUOJXZPIYUATO-IBGZPJMESA-N	0	385.485	GF	2.985	0	Anodyne	ref	GFAARN	CC(=O)SC[C@H](Cc1ccccc1)C(=O)NCC(=O)OCc1ccccc1	world
CC(=O)SC[C@@H](Cc1ccccc1)C(=O)NCC(=O)OCc1ccccc1	ZINC000001546844	24/91/36/212249136	ODUOJXZPIYUATO-LJQANCHMSA-N	0	385.485	GF	2.985	0	Anodyne	ref	GFAARN	CC(=O)SC[C@@H](Cc1ccccc1)C(=O)NCC(=O)OCc1ccccc1	world
CCN(CC)C(=O)Nc1ccc(OC[C@@H](O)CNC(C)(C)C)c(C(C)=O)c1	ZINC000002001884	26/22/91/212262291	JOATXPAWOHTVSZ-INIZCTEOSA-N	1	379.501	GF	2.891	0	Anodyne	ref	GFAARO	CCN(CC)C(=O)Nc1ccc(OC[C@@H](O)C[NH2+]C(C)(C)C)c(C(C)=O)c1	world
CCN(CC)C(=O)Nc1ccc(OC[C@H](O)CNC(C)(C)C)c(C(C)=O)c1	ZINC000003813069	35/09/85/570350985	JOATXPAWOHTVSZ-MRXNPFEDSA-N	1	379.501	GF	2.891	0	Anodyne	ref	GFAARO	CCN(CC)C(=O)Nc1ccc(OC[C@H](O)C[NH2+]C(C)(C)C)c(C(C)=O)c1	world
C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)[C@@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O	ZINC000004097937	42/11/34/570421134	ZRZNJUXESFHSIO-HXDNZQJBSA-N	0	378.509	GF	2.885	0	Mild	ref	GFEARN	C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)[C@@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O	in-man
COc1ccnc(C[S@](=O)c2nc3ccc(OC(F)F)cc3[nH]2)c1OC	ZINC000004099200	35/74/87/570357487	IQPSEEYGBUAQFF-AREMUKBSSA-N	0	383.376	GF	2.884	1	Anodyne	mid	GFAAMN	COc1ccnc(C[S@](=O)c2nc3ccc(OC(F)F)cc3[nH]2)c1OC	fda
COc1ccnc(C[S@](=O)c2nc3ccc(OC(F)F)cc3[nH]2)c1OC	ZINC000004099200	35/74/86/570357486	IQPSEEYGBUAQFF-AREMUKBSSA-N	0	383.376	GF	2.884	0	Anodyne	ref	GFAARN	COc1ccnc(C[S@](=O)c2nc3cc(OC(F)F)ccc3[nH]2)c1OC	fda
C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O	ZINC000004214166	22/81/31/206228131	ZRZNJUXESFHSIO-BKUNHTPHSA-N	0	378.509	GF	2.885	0	Mild	ref	GFEARN	C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O	in-man
COc1ccnc(C[S@@](=O)c2nc3ccc(OC(F)F)cc3[nH]2)c1OC	ZINC000004676424	39/25/88/570392588	IQPSEEYGBUAQFF-SANMLTNESA-N	0	383.376	GF	2.884	1	Anodyne	mid	GFAAMN	COc1ccnc(C[S@@](=O)c2nc3ccc(OC(F)F)cc3[nH]2)c1OC	fda
COc1ccnc(C[S@@](=O)c2nc3ccc(OC(F)F)cc3[nH]2)c1OC	ZINC000004676424	39/25/83/570392583	IQPSEEYGBUAQFF-SANMLTNESA-N	0	383.376	GF	2.884	0	Anodyne	ref	GFAARN	COc1ccnc(C[S@@](=O)c2nc3cc(OC(F)F)ccc3[nH]2)c1OC	fda
CCc1c2c(nc3ccccc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC	ZINC000005140293	20/09/28/560200928	MYQKIWCVEPUPIL-QFIPXVFZSA-N	0	376.412	GF	2.642	0	Anodyne	ref	GFAARN	CCc1c2c(nc3ccccc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC	in-vitro biogenic
C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OC(=O)CCC(=O)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4	ZINC000008214489	12/24/43/291122443	FIHJKUPKCHIPAT-NKHDUEHSSA-N	-1	384.425	GF	2.602	0	Reactive	ref	GFGARM	C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OC(=O)CCC(=O)[O-])O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4	world biogenic
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
C[C@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO	ZINC000021981448	24/45/66/207244566	GAKMQHDJQHZUTJ-VSZBBTLHSA-N	0	376.468	GF	2.637	0	Mild	ref	GFEBRN	C[C@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO	 
CN[C@@H]1CCCN(c2c(F)cc3c(c2OC)[C@H](C2CC2)C=C(C(=O)O)C3=O)C1	ZINC000021985891	36/55/15/536365515	OUNHCDCIRUTXPN-OLZOCXBDSA-N	0	388.439	GF	2.723	0	Mild	ref	GFEARN	C[NH2+][C@@H]1CCCN(c2c(F)cc3c(c2OC)[C@H](C2CC2)C=C(C(=O)[O-])C3=O)C1	 
CN[C@H]1CCCN(c2c(F)cc3c(c2OC)[C@H](C2CC2)C=C(C(=O)O)C3=O)C1	ZINC000021985892	41/48/44/536414844	OUNHCDCIRUTXPN-STQMWFEESA-N	0	388.439	GF	2.723	0	Mild	ref	GFEARN	C[NH2+][C@H]1CCCN(c2c(F)cc3c(c2OC)[C@H](C2CC2)C=C(C(=O)[O-])C3=O)C1	 
CN[C@@H]1CCCN(c2c(F)cc3c(c2OC)[C@@H](C2CC2)C=C(C(=O)O)C3=O)C1	ZINC000216142005	29/63/98/570296398	OUNHCDCIRUTXPN-CHWSQXEVSA-N	0	388.439	GF	2.723	0	Mild	ref	GFEARN	C[NH2+][C@@H]1CCCN(c2c(F)cc3c(c2OC)[C@@H](C2CC2)C=C(C(=O)[O-])C3=O)C1	 
CN[C@H]1CCCN(c2c(F)cc3c(c2OC)[C@@H](C2CC2)C=C(C(=O)O)C3=O)C1	ZINC000216142056	29/62/76/570296276	OUNHCDCIRUTXPN-QWHCGFSZSA-N	0	388.439	GF	2.723	0	Mild	ref	GFEARN	C[NH2+][C@H]1CCCN(c2c(F)cc3c(c2OC)[C@@H](C2CC2)C=C(C(=O)[O-])C3=O)C1