CC(=O)c1ccc(CCOc2ccc(C[C@H]3SC(=O)NC3=O)cc2)nc1	ZINC000001482946	26/45/55/506264555	JMLKLMFMQRAJNI-QGZVFWFLSA-N	0	370.43	FF	2.8	2	Anodyne	low	FFAALN	CC(=O)c1ccc(CCOc2ccc(C[C@H]3SC(=O)NC3=O)cc2)nc1	in-vitro
CC(=O)c1ccc(CCOc2ccc(C[C@H]3SC(=O)NC3=O)cc2)nc1	ZINC000001482946	26/45/50/506264550	JMLKLMFMQRAJNI-QGZVFWFLSA-N	-1	370.43	FF	2.8	0	Anodyne	ref	FFAARM	CC(=O)c1ccc(CCOc2ccc(C[C@H]3SC(=O)[N-]C3=O)cc2)nc1	in-vitro
C[C@@H](O)c1ccc(CCOc2ccc(C[C@H]3SC(=O)NC3=O)cc2)nc1	ZINC000001482947	26/41/31/506264131	OXVFDZYQLGRLCD-SJKOYZFVSA-N	0	372.446	FF	2.651	2	Anodyne	low	FFAALN	C[C@@H](O)c1ccc(CCOc2ccc(C[C@H]3SC(=O)NC3=O)cc2)nc1	in-vitro
C[C@@H](O)c1ccc(CCOc2ccc(C[C@H]3SC(=O)NC3=O)cc2)nc1	ZINC000001482947	26/41/26/506264126	OXVFDZYQLGRLCD-SJKOYZFVSA-N	-1	372.446	FF	2.651	0	Anodyne	ref	FFAARM	C[C@@H](O)c1ccc(CCOc2ccc(C[C@H]3SC(=O)[N-]C3=O)cc2)nc1	in-vitro
COCCCOc1ccnc(C[S@](=O)c2nc3ccccc3[nH]2)c1C	ZINC000001530935	35/87/28/210358728	YREYEVIYCVEVJK-RUZDIDTESA-N	0	359.451	FF	2.989	0	Anodyne	ref	FFAARN	COCCCOc1ccnc(C[S@](=O)c2nc3ccccc3[nH]2)c1C	fda
COc1ccc([C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2O)cc1	ZINC000003599462	34/65/23/506346523	NZHUXMZTSSZXSB-MOPGFXCFSA-N	0	372.49	FF	2.798	3	Anodyne	high	FFAAHN	COc1ccc([C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2O)cc1	in-man endogenous
COc1ccc([C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2O)cc1	ZINC000003599462	34/65/09/506346509	NZHUXMZTSSZXSB-MOPGFXCFSA-N	1	372.49	FF	2.798	0	Anodyne	ref	FFAARO	COc1ccc([C@@H]2Sc3ccccc3N(CC[NH+](C)C)C(=O)[C@@H]2O)cc1	in-man endogenous
CC(=O)c1ccc(CCOc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)nc1	ZINC000003784663	34/96/10/506349610	JMLKLMFMQRAJNI-KRWDZBQOSA-N	0	370.43	FF	2.8	2	Anodyne	low	FFAALN	CC(=O)c1ccc(CCOc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)nc1	in-vitro
CC(=O)c1ccc(CCOc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)nc1	ZINC000003784663	34/95/99/506349599	JMLKLMFMQRAJNI-KRWDZBQOSA-N	-1	370.43	FF	2.8	0	Anodyne	ref	FFAARM	CC(=O)c1ccc(CCOc2ccc(C[C@@H]3SC(=O)[N-]C3=O)cc2)nc1	in-vitro
C[C@@H](O)c1ccc(CCOc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)nc1	ZINC000003784667	34/97/82/506349782	OXVFDZYQLGRLCD-PXAZEXFGSA-N	0	372.446	FF	2.651	2	Anodyne	low	FFAALN	C[C@@H](O)c1ccc(CCOc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)nc1	in-vitro
C[C@@H](O)c1ccc(CCOc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)nc1	ZINC000003784667	34/97/78/506349778	OXVFDZYQLGRLCD-PXAZEXFGSA-N	-1	372.446	FF	2.651	0	Anodyne	ref	FFAARM	C[C@@H](O)c1ccc(CCOc2ccc(C[C@@H]3SC(=O)[N-]C3=O)cc2)nc1	in-vitro
COCCCOc1ccnc(C[S@@](=O)c2nc3ccccc3[nH]2)c1C	ZINC000004618208	03/16/56/207031656	YREYEVIYCVEVJK-VWLOTQADSA-N	0	359.451	FF	2.989	0	Anodyne	ref	FFAARN	COCCCOc1ccnc(C[S@@](=O)c2nc3ccccc3[nH]2)c1C	fda
C[C@H](O)c1ccc(CCOc2ccc(C[C@H]3SC(=O)NC3=O)cc2)nc1	ZINC000006713959	49/93/71/506499371	OXVFDZYQLGRLCD-YVEFUNNKSA-N	0	372.446	FF	2.651	2	Anodyne	low	FFAALN	C[C@H](O)c1ccc(CCOc2ccc(C[C@H]3SC(=O)NC3=O)cc2)nc1	in-vitro
C[C@H](O)c1ccc(CCOc2ccc(C[C@H]3SC(=O)NC3=O)cc2)nc1	ZINC000006713959	49/93/63/506499363	OXVFDZYQLGRLCD-YVEFUNNKSA-N	-1	372.446	FF	2.651	0	Anodyne	ref	FFAARM	C[C@H](O)c1ccc(CCOc2ccc(C[C@H]3SC(=O)[N-]C3=O)cc2)nc1	in-vitro
C[C@H](O)c1ccc(CCOc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)nc1	ZINC000006713967	17/92/69/210179269	OXVFDZYQLGRLCD-SJCJKPOMSA-N	0	372.446	FF	2.651	2	Anodyne	low	FFAALN	C[C@H](O)c1ccc(CCOc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)nc1	in-vitro
C[C@H](O)c1ccc(CCOc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)nc1	ZINC000006713967	17/92/64/210179264	OXVFDZYQLGRLCD-SJCJKPOMSA-N	-1	372.446	FF	2.651	0	Anodyne	ref	FFAARM	C[C@H](O)c1ccc(CCOc2ccc(C[C@@H]3SC(=O)[N-]C3=O)cc2)nc1	in-vitro
COc1ccc2[nH]c(S(=O)(=O)Cc3ncc(C)c(OC)c3C)nc2c1	ZINC000013559434	94/53/13/506945313	IXEQEYRTSRFZEO-UHFFFAOYSA-N	0	361.423	FF	2.566	2	Anodyne	low	FFAALN	COc1ccc2[nH]c(S(=O)(=O)Cc3ncc(C)c(OC)c3C)nc2c1	world endogenous
COc1ccc2[nH]c(S(=O)(=O)Cc3ncc(C)c(OC)c3C)nc2c1	ZINC000013559434	94/53/08/506945308	IXEQEYRTSRFZEO-UHFFFAOYSA-N	-1	361.423	FF	2.566	1	Anodyne	mid	FFAAMM	COc1ccc2[n-]c(S(=O)(=O)Cc3ncc(C)c(OC)c3C)nc2c1	world endogenous
COc1ccc2[nH]c(S(=O)(=O)Cc3ncc(C)c(OC)c3C)nc2c1	ZINC000013559434	94/52/86/506945286	IXEQEYRTSRFZEO-UHFFFAOYSA-N	-1	361.423	FF	2.566	0	Anodyne	ref	FFAARM	COc1ccc2nc(S(=O)(=O)Cc3ncc(C)c(OC)c3C)[n-]c2c1	world endogenous
CCc1ccc(CCOc2ccc(C[C@@H]3SC(=N)NC3=O)cc2)nc1	ZINC000016696671	10/37/25/507103725	ABGJULHDDNEULW-KRWDZBQOSA-N	0	355.463	FF	2.974	1	Anodyne	mid	FFAAMN	CCc1ccc(CCOc2ccc(CC3SC(=N)NC3=O)cc2)nc1	in-vitro
CCc1ccc(CCOc2ccc(C[C@@H]3SC(=N)NC3=O)cc2)nc1	ZINC000016696671	10/37/10/507103710	ABGJULHDDNEULW-KRWDZBQOSA-N	0	355.463	FF	2.974	0	Anodyne	ref	FFAARN	CCc1ccc(CCOc2ccc(C[C@@H]3SC(=N)NC3=O)cc2)nc1	in-vitro
CCc1ccc(CCOc2ccc(C[C@H]3SC(=N)NC3=O)cc2)nc1	ZINC000016696673	19/08/76/220190876	ABGJULHDDNEULW-QGZVFWFLSA-N	0	355.463	FF	2.974	1	Anodyne	mid	FFAAMN	CCc1ccc(CCOc2ccc(CC3SC(=N)NC3=O)cc2)nc1	in-vitro
CCc1ccc(CCOc2ccc(C[C@H]3SC(=N)NC3=O)cc2)nc1	ZINC000016696673	19/08/73/220190873	ABGJULHDDNEULW-QGZVFWFLSA-N	0	355.463	FF	2.974	0	Anodyne	ref	FFAARN	CCc1ccc(CCOc2ccc(C[C@H]3SC(=N)NC3=O)cc2)nc1	in-vitro
CCc1ccc([C@@H](O)COc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)nc1	ZINC000021981311	37/21/44/220372144	RMTFRGFLVHAYCI-IRXDYDNUSA-N	0	372.446	FF	2.651	2	Anodyne	low	FFAALN	CCc1ccc([C@@H](O)COc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)nc1	in-vitro
CCc1ccc([C@@H](O)COc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)nc1	ZINC000021981311	37/21/43/220372143	RMTFRGFLVHAYCI-IRXDYDNUSA-N	-1	372.446	FF	2.651	0	Anodyne	ref	FFAARM	CCc1ccc([C@@H](O)COc2ccc(C[C@@H]3SC(=O)[N-]C3=O)cc2)nc1	in-vitro
CCc1ccc([C@H](O)COc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)nc1	ZINC000021981313	37/23/22/220372322	RMTFRGFLVHAYCI-SJORKVTESA-N	0	372.446	FF	2.651	2	Anodyne	low	FFAALN	CCc1ccc([C@H](O)COc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)nc1	in-vitro
CCc1ccc([C@H](O)COc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)nc1	ZINC000021981313	37/23/19/220372319	RMTFRGFLVHAYCI-SJORKVTESA-N	-1	372.446	FF	2.651	0	Anodyne	ref	FFAARM	CCc1ccc([C@H](O)COc2ccc(C[C@@H]3SC(=O)[N-]C3=O)cc2)nc1	in-vitro
CCc1ccc([C@@H](O)COc2ccc(C[C@H]3SC(=O)NC3=O)cc2)nc1	ZINC000021981315	27/54/08/507275408	RMTFRGFLVHAYCI-DLBZAZTESA-N	0	372.446	FF	2.651	2	Anodyne	low	FFAALN	CCc1ccc([C@@H](O)COc2ccc(C[C@H]3SC(=O)NC3=O)cc2)nc1	in-vitro
CCc1ccc([C@@H](O)COc2ccc(C[C@H]3SC(=O)NC3=O)cc2)nc1	ZINC000021981315	27/53/93/507275393	RMTFRGFLVHAYCI-DLBZAZTESA-N	-1	372.446	FF	2.651	0	Anodyne	ref	FFAARM	CCc1ccc([C@@H](O)COc2ccc(C[C@H]3SC(=O)[N-]C3=O)cc2)nc1	in-vitro
CCc1ccc([C@H](O)COc2ccc(C[C@H]3SC(=O)NC3=O)cc2)nc1	ZINC000021981317	27/65/87/507276587	RMTFRGFLVHAYCI-IAGOWNOFSA-N	0	372.446	FF	2.651	2	Anodyne	low	FFAALN	CCc1ccc([C@H](O)COc2ccc(C[C@H]3SC(=O)NC3=O)cc2)nc1	in-vitro
CCc1ccc([C@H](O)COc2ccc(C[C@H]3SC(=O)NC3=O)cc2)nc1	ZINC000021981317	27/65/82/507276582	RMTFRGFLVHAYCI-IAGOWNOFSA-N	-1	372.446	FF	2.651	0	Anodyne	ref	FFAARM	CCc1ccc([C@H](O)COc2ccc(C[C@H]3SC(=O)[N-]C3=O)cc2)nc1	in-vitro
CN(CCOc1ccc(/C=C2/SC(=O)NC2=O)cc1)c1ccccn1	ZINC000034230071	36/63/25/506366325	HCDYSWMAMRPMST-NTCAYCPXSA-N	1	355.419	FF	2.921	2	Anodyne	low	FFAALO	CN(CCOc1ccc(C=C2SC(=O)NC2=O)cc1)c1cccc[nH+]1	in-vitro
CN(CCOc1ccc(/C=C2/SC(=O)NC2=O)cc1)c1ccccn1	ZINC000034230071	36/63/24/506366324	HCDYSWMAMRPMST-NTCAYCPXSA-N	-1	355.419	FF	2.921	1	Anodyne	mid	FFAAMM	CN(CCOc1ccc(C=C2SC(=O)[N-]C2=O)cc1)c1ccccn1	in-vitro
CN(CCOc1ccc(/C=C2/SC(=O)NC2=O)cc1)c1ccccn1	ZINC000034230071	36/63/20/506366320	HCDYSWMAMRPMST-NTCAYCPXSA-N	0	355.419	FF	2.921	0	Anodyne	ref	FFAARN	CN(CCOc1ccc(C=C2SC(=O)NC2=O)cc1)c1ccccn1	in-vitro
COCCc1ccc(OCC(O)COc2ccc(CCOC)cc2)cc1	ZINC000065734885	35/39/24/506353924	JHRIEMFHIZBBOY-UHFFFAOYSA-N	0	360.45	FF	2.883	0	Anodyne	ref	FFAARN	COCCc1ccc(OCC(O)COc2ccc(CCOC)cc2)cc1	in-vitro
C=[S@](=O)(Cc1ncc(C)c(OC)c1C)c1nc2cc(OC)ccc2[nH]1	ZINC000067665261	26/75/98/221267598	VUKQIJPDVDAVRE-VWLOTQADSA-N	-1	359.451	FF	2.867	3	Anodyne	high	FFABHM	C=S(=O)(Cc1ncc(C)c(OC)c1C)c1nc2cc(OC)ccc2[n-]1	in-vitro
C=[S@](=O)(Cc1ncc(C)c(OC)c1C)c1nc2cc(OC)ccc2[nH]1	ZINC000067665261	26/75/95/221267595	VUKQIJPDVDAVRE-VWLOTQADSA-N	0	359.451	FF	2.867	1	Anodyne	mid	FFABMN	C=S(=O)(Cc1ncc(C)c(OC)c1C)c1nc2ccc(OC)cc2[nH]1	in-vitro
C=[S@](=O)(Cc1ncc(C)c(OC)c1C)c1nc2cc(OC)ccc2[nH]1	ZINC000067665261	26/75/90/221267590	VUKQIJPDVDAVRE-VWLOTQADSA-N	0	359.451	FF	2.867	0	Anodyne	ref	FFABRN	C=S(=O)(Cc1ncc(C)c(OC)c1C)c1nc2cc(OC)ccc2[nH]1	in-vitro
C=[S@@](=O)(Cc1ncc(C)c(OC)c1C)c1nc2cc(OC)ccc2[nH]1	ZINC000100071384	20/85/16/209208516	VUKQIJPDVDAVRE-RUZDIDTESA-N	0	359.451	FF	2.867	0	Anodyne	ref	FFABRN	C=S(=O)(Cc1ncc(C)c(OC)c1C)c1nc2cc(OC)ccc2[nH]1	in-vitro
C=[S@@](=O)(Cc1ncc(C)c(OC)c1C)c1nc2cc(OC)ccc2[nH]1	ZINC000100071384	20/85/25/209208525	VUKQIJPDVDAVRE-RUZDIDTESA-N	-1	359.451	FF	2.867	3	Anodyne	high	FFABHM	C=S(=O)(Cc1ncc(C)c(OC)c1C)c1nc2cc(OC)ccc2[n-]1	in-vitro
C=[S@@](=O)(Cc1ncc(C)c(OC)c1C)c1nc2cc(OC)ccc2[nH]1	ZINC000100071384	20/85/22/209208522	VUKQIJPDVDAVRE-RUZDIDTESA-N	0	359.451	FF	2.867	1	Anodyne	mid	FFABMN	C=S(=O)(Cc1ncc(C)c(OC)c1C)c1nc2ccc(OC)cc2[nH]1	in-vitro