COc1ccc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc1OC	ZINC000000537874	22/46/68/506224668	QQQIECGTIMUVDS-UHFFFAOYSA-N	0	358.438	FF	2.574	3	Anodyne	high	FFAAHN	COc1ccc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc1OC	world
COc1ccc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc1OC	ZINC000000537874	22/46/61/506224661	QQQIECGTIMUVDS-UHFFFAOYSA-N	1	358.438	FF	2.574	0	Anodyne	ref	FFAARO	COc1ccc(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)cc1OC	world
Cc1cccc(C)c1NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1O	ZINC000000538538	30/53/63/219305363	MTZBBNMLMNBNJL-UHFFFAOYSA-N	0	354.815	FF	2.562	2	Anodyne	low	FFAALN	Cc1cccc(C)c1NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1O	world
Cc1cccc(C)c1NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1O	ZINC000000538538	30/53/60/219305360	MTZBBNMLMNBNJL-UHFFFAOYSA-N	-1	354.815	FF	2.562	0	Anodyne	ref	FFAARM	Cc1cccc(C)c1NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1[O-]	world
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
c1ccc2c(c1)OCCOCCOc1ccccc1OCCOCCO2	ZINC000003861212	34/97/48/506349748	YSSSPARMOAYJTE-UHFFFAOYSA-N	0	360.406	FF	2.949	0	Anodyne	ref	FFAARN	c1ccc2c(c1)OCCOCCOc1ccccc1OCCOCCO2	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
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
CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1C=O	ZINC000022016632	33/57/19/211335719	WOCOTUDOVSLFOB-UHFFFAOYSA-N	0	351.403	FF	2.614	0	Anodyne	ref	FFAARN	CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1C=O	in-vitro
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000084403367	27/75/40/508277540	PVHUJELLJLJGLN-INIZCTEOSA-N	0	360.366	FF	2.566	0	Bother	ref	FFBARN	CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@@H]1c1cccc([N+](=O)[O-])c1	world
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000100001908	23/15/70/222231570	PVHUJELLJLJGLN-MRXNPFEDSA-N	0	360.366	FF	2.566	0	Bother	ref	FFBARN	CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@H]1c1cccc([N+](=O)[O-])c1	world
CS(=O)(=O)Nc1cc2occ(NC=O)c(=O)c2cc1Oc1ccccc1	ZINC000100018451	23/81/37/508238137	ANMATWQYLIFGOK-UHFFFAOYSA-N	0	374.374	FF	2.525	1	Anodyne	mid	FFAAMN	CS(=O)(=O)Nc1cc2occ(NC=O)c(=O)c2cc1Oc1ccccc1	investigational
CS(=O)(=O)Nc1cc2occ(NC=O)c(=O)c2cc1Oc1ccccc1	ZINC000100018451	23/81/36/508238136	ANMATWQYLIFGOK-UHFFFAOYSA-N	-1	374.374	FF	2.525	0	Anodyne	ref	FFAARM	CS(=O)(=O)[N-]c1cc2occ(NC=O)c(=O)c2cc1Oc1ccccc1	investigational