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
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
O=C(O)c1cn(C2CC2)c2c(F)c(N3C[C@@H]4CCCN[C@@H]4C3)c(F)cc2c1=O	ZINC000005932777	20/37/77/560203777	WEXQOLCYKFJAJZ-ZUZCIYMTSA-N	0	389.402	GF	2.501	0	Anodyne	ref	GFAARN	O=C([O-])c1cn(C2CC2)c2c(F)c(N3C[C@@H]4CCC[NH2+][C@@H]4C3)c(F)cc2c1=O	in-vitro
COc1ccnc(CS(=O)(=O)c2nc3cc(OC(F)F)ccc3[nH]2)c1OC	ZINC000006278461	20/54/75/560205475	FCJYMBZQIJDMMM-UHFFFAOYSA-N	0	399.375	GF	2.55	2	Anodyne	low	GFAALN	COc1ccnc(CS(=O)(=O)c2nc3cc(OC(F)F)ccc3[nH]2)c1OC	in-vitro
COc1ccnc(CS(=O)(=O)c2nc3cc(OC(F)F)ccc3[nH]2)c1OC	ZINC000006278461	20/54/74/560205474	FCJYMBZQIJDMMM-UHFFFAOYSA-N	-1	399.375	GF	2.55	1	Anodyne	mid	GFAAMM	COc1ccnc(CS(=O)(=O)c2nc3cc(OC(F)F)ccc3[n-]2)c1OC	in-vitro
COc1ccnc(CS(=O)(=O)c2nc3cc(OC(F)F)ccc3[nH]2)c1OC	ZINC000006278461	20/54/73/560205473	FCJYMBZQIJDMMM-UHFFFAOYSA-N	-1	399.375	GF	2.55	0	Anodyne	ref	GFAARM	COc1ccnc(CS(=O)(=O)c2nc3ccc(OC(F)F)cc3[n-]2)c1OC	in-vitro
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
OCCOCCN1CCN(C2=Nc3ccc(O)cc3Sc3ccccc32)CC1	ZINC000022061171	30/40/10/570304010	VEGVCHRFYPFJFO-UHFFFAOYSA-N	-1	399.516	GF	2.562	3	Anodyne	high	GFAAHM	[O-]c1ccc2c(c1)Sc1ccccc1C(N1CCN(CCOCCO)CC1)=N2	in-vitro
OCCOCCN1CCN(C2=Nc3ccc(O)cc3Sc3ccccc32)CC1	ZINC000022061171	30/40/06/570304006	VEGVCHRFYPFJFO-UHFFFAOYSA-N	1	399.516	GF	2.562	1	Anodyne	mid	GFAAMO	OCCOCC[NH+]1CCN(C2=Nc3ccc(O)cc3Sc3ccccc32)CC1	in-vitro
OCCOCCN1CCN(C2=Nc3ccc(O)cc3Sc3ccccc32)CC1	ZINC000022061171	30/40/04/570304004	VEGVCHRFYPFJFO-UHFFFAOYSA-N	0	399.516	GF	2.562	0	Anodyne	ref	GFAARN	OCCOCCN1CCN(C2=Nc3ccc(O)cc3Sc3ccccc32)CC1	in-vitro
C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCO)cc23)c1	ZINC000022065493	25/19/42/206251942	KOQIAZNBAWFSQM-UHFFFAOYSA-N	0	379.416	GF	2.751	0	Mild	ref	GFEARN	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCO)cc23)c1	in-vitro
COCCCOc1ccnc(CS(=O)(=O)c2nc3ccccc3[nH]2)c1C	ZINC000022066265	30/39/20/570303920	KNYNPBSPFHFPML-UHFFFAOYSA-N	0	375.45	GF	2.656	2	Anodyne	low	GFAALN	COCCCOc1ccnc(CS(=O)(=O)c2nc3ccccc3[nH]2)c1C	in-vitro
COCCCOc1ccnc(CS(=O)(=O)c2nc3ccccc3[nH]2)c1C	ZINC000022066265	30/39/19/570303919	KNYNPBSPFHFPML-UHFFFAOYSA-N	-1	375.45	GF	2.656	0	Anodyne	ref	GFAARM	COCCCOc1ccnc(CS(=O)(=O)c2nc3ccccc3[n-]2)c1C	in-vitro
C#Cc1cccc(Nc2ncnc3cc(OCCO)c(OCCOC)cc23)c1	ZINC000034891972	36/70/06/518367006	MTLKTHNRZJKPRP-UHFFFAOYSA-N	0	379.416	GF	2.751	0	Mild	ref	GFEBRN	C#Cc1cccc(Nc2ncnc3cc(OCCO)c(OCCOC)cc23)c1	in-vitro
COc1ccc([C@@H]2Sc3ccccc3N(CCN)C(=O)[C@@H]2OC(C)=O)cc1	ZINC000065740213	13/58/48/222135848	ITPLTCJNLBCHHJ-MOPGFXCFSA-N	0	386.473	GF	2.766	3	Anodyne	high	GFAAHN	COc1ccc([C@@H]2Sc3ccccc3N(CCN)C(=O)[C@@H]2OC(C)=O)cc1	in-vitro
COc1ccc([C@@H]2Sc3ccccc3N(CCN)C(=O)[C@@H]2OC(C)=O)cc1	ZINC000065740213	13/58/43/222135843	ITPLTCJNLBCHHJ-MOPGFXCFSA-N	1	386.473	GF	2.766	0	Anodyne	ref	GFAARO	COc1ccc([C@@H]2Sc3ccccc3N(CC[NH3+])C(=O)[C@@H]2OC(C)=O)cc1	in-vitro
CCOC(=O)[C@H](CCc1ccccc1)N1C(=O)[C@H]2C[C@@H]3CCC[C@@H]3N2C(=O)[C@H]1C	ZINC000067665347	15/41/71/222154171	KOVMAAYRBJCASY-QDGKJQRMSA-N	0	398.503	GF	2.551	0	Anodyne	ref	GFABRN	CCOC(=O)[C@H](CCc1ccccc1)N1C(=O)[C@H]2C[C@@H]3CCC[C@@H]3N2C(=O)[C@H]1C	in-vitro
CCOC(=O)[C@H](CCc1ccccc1)N1C(=O)[C@H]2C[C@@H]3CCC[C@@H]3N2C(=O)[C@@H]1C	ZINC000067665348	25/16/93/205251693	KOVMAAYRBJCASY-ONSCTEFMSA-N	0	398.503	GF	2.551	0	Anodyne	ref	GFABRN	CCOC(=O)[C@H](CCc1ccccc1)N1C(=O)[C@H]2C[C@@H]3CCC[C@@H]3N2C(=O)[C@@H]1C	in-vitro
CCOC(=O)[C@H](CCc1ccccc1)N1C(=O)[C@@H]2C[C@@H]3CCC[C@@H]3N2C(=O)[C@H]1C	ZINC000067665350	15/35/88/222153588	KOVMAAYRBJCASY-HTDHLNIYSA-N	0	398.503	GF	2.551	0	Anodyne	ref	GFABRN	CCOC(=O)[C@H](CCc1ccccc1)N1C(=O)[C@@H]2C[C@@H]3CCC[C@@H]3N2C(=O)[C@H]1C	in-vitro
CCOC(=O)[C@H](CCc1ccccc1)N1C(=O)[C@@H]2C[C@@H]3CCC[C@@H]3N2C(=O)[C@@H]1C	ZINC000067665351	15/48/69/222154869	KOVMAAYRBJCASY-JBDAPHQKSA-N	0	398.503	GF	2.551	0	Anodyne	ref	GFABRN	CCOC(=O)[C@H](CCc1ccccc1)N1C(=O)[C@@H]2C[C@@H]3CCC[C@@H]3N2C(=O)[C@@H]1C	world