C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23	ZINC000000538273	74/62/94/524746294	GSDSWSVVBLHKDQ-JTQLQIEISA-N	0	361.373	FD	1.544	2	Anodyne	low	FDAALN	C[C@H]1COc2c(N3CC[NH+](C)CC3)c(F)cc3c(=O)c(C(=O)[O-])cn1c23	fda
C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23	ZINC000000538273	74/62/74/524746274	GSDSWSVVBLHKDQ-JTQLQIEISA-N	-1	361.373	FD	1.544	0	Anodyne	ref	FDAARM	C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)[O-])cn1c23	fda
CCN1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC	ZINC000000601255	21/66/89/518216689	NTJOBXMMWNYJFB-GFCCVEGCSA-N	1	369.487	FD	1.285	1	Anodyne	mid	FDAAMO	CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC	world
CCN1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC	ZINC000000601255	21/66/84/518216684	NTJOBXMMWNYJFB-GFCCVEGCSA-N	1	369.487	FD	1.285	1	Anodyne	mid	FDAAMO	CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC	world
CCN1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC	ZINC000000601255	21/66/74/518216674	NTJOBXMMWNYJFB-GFCCVEGCSA-N	0	369.487	FD	1.285	0	Anodyne	ref	FDAARN	CCN1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC	world
CC[C@@H](C)c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1	ZINC000000851778	22/14/31/518221431	ZUTUWJYMCADJHD-GFCCVEGCSA-N	0	369.425	FD	1.586	0	Anodyne	ref	FDAARN	CC[C@@H](C)c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1	in-vitro
CC[C@H](C)c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1	ZINC000000851779	28/08/77/210280877	ZUTUWJYMCADJHD-LBPRGKRZSA-N	0	369.425	FD	1.586	0	Anodyne	ref	FDAARN	CC[C@H](C)c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1	in-vitro
CC(C)c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1	ZINC000000898145	33/75/09/219337509	HEQDZPHDVAOBLN-UHFFFAOYSA-N	0	355.398	FD	1.196	0	Anodyne	ref	FDAARN	CC(C)c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1	in-vivo
O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O	ZINC000000899870	22/37/58/518223758	DOUMFZQKYFQNTF-WUTVXBCWSA-N	-1	360.318	FD	1.761	0	Clean	ref	FDCARM	O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)[O-]	in-man aggregator endogenous
O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H](Cc1ccc(O)c(O)c1)C(=O)O	ZINC000000901160	33/78/99/219337899	DOUMFZQKYFQNTF-GIZXNFQBSA-N	-1	360.318	FD	1.761	0	Clean	ref	FDCARM	O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H](Cc1ccc(O)c(O)c1)C(=O)[O-]	aggregator in-vitro biogenic
Cc1ccc(S(=O)(=O)OCC(=O)Nc2ccc(C(=O)O)c(O)c2)cc1	ZINC000001621282	23/50/40/518235040	HWNUSGNZBAISFM-UHFFFAOYSA-N	-1	365.363	FD	1.743	0	Mild	ref	FDEARM	Cc1ccc(S(=O)(=O)OCC(=O)Nc2ccc(C(=O)[O-])c(O)c2)cc1	in-vitro
CCN1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC	ZINC000001846088	02/11/19/204021119	NTJOBXMMWNYJFB-LBPRGKRZSA-N	1	369.487	FD	1.285	1	Anodyne	mid	FDAAMO	CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC	world
CCN1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC	ZINC000001846088	02/11/15/204021115	NTJOBXMMWNYJFB-LBPRGKRZSA-N	1	369.487	FD	1.285	1	Anodyne	mid	FDAAMO	CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC	world
CCN1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC	ZINC000001846088	02/11/10/204021110	NTJOBXMMWNYJFB-LBPRGKRZSA-N	0	369.487	FD	1.285	0	Anodyne	ref	FDAARN	CCN1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC	world
COCC[n+]1c2c(n(Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O	ZINC000001908550	23/72/55/518237255	OTSOOHRUMBRSHZ-UHFFFAOYSA-N	1	363.397	FD	1.344	0	Clean	ref	FDCARO	COCCn1c2c([n+](Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O	in-man
O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O	ZINC000003649853	52/42/08/219524208	GPZFXSWMDFBRGS-UXONFWTHSA-N	-1	359.334	FD	1.334	0	Clean	ref	FDCARM	O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)[O-]	in-man endogenous
CCC[C@H](N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)C(=O)OCC	ZINC000003812867	28/02/43/518280243	IPVQLZZIHOAWMC-QXKUPLGCSA-N	-1	368.474	FD	1.941	0	Anodyne	ref	FDAARM	CCC[C@H](N[C@@H](C)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)C(=O)OCC	fda
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO	ZINC000003833821	28/04/39/518280439	OIGNJSKKLXVSLS-VWUMJDOOSA-N	0	360.45	FD	1.558	0	Mild	ref	FDEARN	C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO	fda
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2(C=O)[C@@H](C(=O)CO)CC[C@@H]12	ZINC000003833824	27/93/53/518279353	PQSUYGKTWSAVDQ-ZVIOFETBSA-N	0	360.45	FD	1.846	0	Mild	ref	FDEARN	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2(C=O)[C@@H](C(=O)CO)CC[C@@H]12	world endogenous
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO	ZINC000003875357	27/92/67/518279267	XOFYZVNMUHMLCC-ZPOLXVRWSA-N	0	358.434	FD	1.766	0	Mild	ref	FDEARN	C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO	fda
C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12	ZINC000003875560	27/92/22/518279222	VHRSUDSXCMQTMA-PJHHCJLFSA-N	0	374.477	FD	1.804	0	Mild	ref	FDEARN	C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12	fda biogenic
C[C@@H]1CC[C@@H]2[C@](C)(CC[C@H](O)[C@@]2(C)CO)[C@@]12CC[C@@](CO)(CCO)O2	ZINC000003881717	79/98/14/206799814	XYPPDQHBNJURHU-IPOQXWOTSA-N	0	356.503	FD	1.855	0	Anodyne	ref	FDAARN	C[C@@H]1CC[C@@H]2[C@](C)(CC[C@H](O)[C@@]2(C)CO)[C@@]12CC[C@@](CO)(CCO)O2	in-vitro
C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C/C=C1/C(=O)OC[C@H]1O	ZINC000003881797	28/01/74/518280174	BOJKULTULYSRAS-OTESTREVSA-N	0	350.455	FD	1.963	0	Mild	ref	FDEARN	C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C/C=C1/C(=O)OC[C@H]1O	investigational biogenic
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(O)ccc3nc2-1	ZINC000003979155	28/36/58/518283658	HAWSQZCWOQZXHI-FQEVSTJZSA-N	0	364.357	FD	1.785	0	Anodyne	ref	FDAARN	CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(O)ccc3nc2-1	investigational biogenic
CC(=O)Oc1ccc2c3c1O[C@H]1[C@@H](OC(C)=O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314	ZINC000004097183	00/16/44/207001644	GVGLGOZIDCSQPN-PVHGPHFFSA-N	1	369.417	FD	1.989	1	Anodyne	mid	FDAAMO	CC(=O)Oc1ccc2c3c1O[C@H]1[C@@H](OC(C)=O)C=C[C@H]4[C@@H](C2)[N@@H+](C)CC[C@]314	world
CC(=O)Oc1ccc2c3c1O[C@H]1[C@@H](OC(C)=O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314	ZINC000004097183	00/16/40/207001640	GVGLGOZIDCSQPN-PVHGPHFFSA-N	1	369.417	FD	1.989	0	Anodyne	ref	FDAARO	CC(=O)Oc1ccc2c3c1O[C@H]1[C@@H](OC(C)=O)C=C[C@H]4[C@@H](C2)[N@H+](C)CC[C@]314	world
CCOC(=O)c1ccc(N2NC(=O)/C(=C/c3ccc([N+](=O)[O-])o3)C2=O)cc1	ZINC000005009986	32/55/82/518325582	ARGIPZKQJGFSGQ-LCYFTJDESA-N	0	371.305	FD	1.826	2	Clean	low	FDCALN	CCOC(=O)c1ccc(N2NC(=O)/C(=C/c3ccc([N+](=O)[O-])o3)C2=O)cc1	in-vitro
CCOC(=O)c1ccc(N2NC(=O)/C(=C/c3ccc([N+](=O)[O-])o3)C2=O)cc1	ZINC000005009986	32/55/72/518325572	ARGIPZKQJGFSGQ-LCYFTJDESA-N	-1	371.305	FD	1.826	0	Clean	ref	FDCARM	CCOC(=O)c1ccc(N2[N-]C(=O)/C(=C/c3ccc([N+](=O)[O-])o3)C2=O)cc1	in-vitro
C[C@@H]1Cc2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)c(O)c2C(=O)O1	ZINC000005260598	33/82/41/518338241	DAEYIVCTQUFNTM-ABAIWWIYSA-N	-2	369.373	FD	1.919	3	Anodyne	high	FDAAHL	C[C@@H]1Cc2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])c([O-])c2C(=O)O1	in-man endogenous
C[C@@H]1Cc2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)c(O)c2C(=O)O1	ZINC000005260598	33/82/34/518338234	DAEYIVCTQUFNTM-ABAIWWIYSA-N	-1	369.373	FD	1.919	0	Anodyne	ref	FDAARM	C[C@@H]1Cc2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])c(O)c2C(=O)O1	in-man endogenous
CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@]12CO2	ZINC000005757732	35/39/90/518353990	AUGQEEXBDZWUJY-NMAPUUFXSA-N	0	366.41	FD	1.125	0	Mild	ref	FDEARN	CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@]12CO2	in-vitro
CO[C@H]1[C@@H](O)[C@]2(C)c3ccc4c(c3C(=O)c3occ(c32)[C@H]1O)CCC4=O	ZINC000005853703	22/67/18/204226718	JZAFRYPNQHUUMQ-HUYLIWGRSA-N	0	354.358	FD	1.682	0	Anodyne	ref	FDAARN	CO[C@H]1[C@@H](O)[C@]2(C)c3ccc4c(c3C(=O)c3occ(c32)[C@H]1O)CCC4=O	in-vitro
O=C1C[C@H](O)[C@@H]2c3c(ccc(O)c31)-c1ccc(O)c3c1[C@@]2(O)CCC3=O	ZINC000006092274	71/39/32/219713932	GJIALGLHOBXNAT-KPOBHBOGSA-N	0	352.342	FD	1.973	0	Anodyne	ref	FDAARN	O=C1C[C@H](O)[C@@H]2c3c(ccc(O)c31)-c1ccc(O)c3c1[C@@]2(O)CCC3=O	in-vitro biogenic
CC(C)[C@]12O[C@H]1[C@@H]1O[C@@]13[C@@]1(C)CCC4=C(COC4=O)[C@@H]1C[C@@H]1O[C@@]13[C@@H]2O	ZINC000008234271	85/44/34/219854434	DFBIRQPKNDILPW-CIVMWXNOSA-N	0	360.406	FD	1.103	0	Anodyne	ref	FDAARN	CC(C)[C@]12O[C@H]1[C@@H]1O[C@@]13[C@@]1(C)CCC4=C(COC4=O)[C@@H]1C[C@@H]1O[C@@]13[C@@H]2O	investigational biogenic
Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1	ZINC000013129998	02/53/05/211025305	ZRVUJXDFFKFLMG-UHFFFAOYSA-N	-1	351.409	FD	1.951	0	Anodyne	ref	FDAARM	Cc1cnc(NC(=O)C2=C([O-])c3ccccc3S(=O)(=O)N2C)s1	fda
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO	ZINC000013540519	65/97/10/518659710	JYGXADMDTFJGBT-VWUMJDOOSA-N	0	362.466	FD	1.782	0	Mild	ref	FDEARN	C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO	fda aggregator
COc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\C[C@H](C)OC2=O	ZINC000014852066	13/35/85/220133585	NEQZWEXWOFPKOT-BYRRXHGESA-N	-1	362.378	FD	1.6	3	Mild	high	FDEAHM	COc1cc(O)c2c(c1)CC=CC([O-])=C(O)C(=O)CCC[C@H](C)OC2=O	investigational
COc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\C[C@H](C)OC2=O	ZINC000014852066	13/35/83/220133583	NEQZWEXWOFPKOT-BYRRXHGESA-N	-1	362.378	FD	1.6	3	Mild	high	FDEAHM	COc1cc(O)c2c(c1)CC=CC(=O)C(O)=C([O-])CCC[C@H](C)OC2=O	investigational
COc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\C[C@H](C)OC2=O	ZINC000014852066	13/35/77/220133577	NEQZWEXWOFPKOT-BYRRXHGESA-N	0	362.378	FD	1.6	0	Mild	ref	FDEARN	COc1cc(O)c2c(c1)CCCC(=O)C(=O)C(=O)CCC[C@H](C)OC2=O	investigational
COc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)[C@H](O)/C=C\C[C@H](C)OC2=O	ZINC000014852073	13/41/37/220134137	BPOLRDGTYHVUAY-NPVKFQDVSA-N	0	364.394	FD	1.392	0	Anodyne	ref	FDAARN	COc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)[C@H](O)/C=C\C[C@H](C)OC2=O	in-vitro
COc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)[C@H](O)/C=C\C[C@@H](C)OC2=O	ZINC000014852076	70/02/28/518700228	BPOLRDGTYHVUAY-LJVMJKJCSA-N	0	364.394	FD	1.392	0	Anodyne	ref	FDAARN	COc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)[C@H](O)/C=C\C[C@@H](C)OC2=O	in-vitro
COc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)[C@@H](O)/C=C\C[C@H](C)OC2=O	ZINC000014852079	69/97/86/518699786	BPOLRDGTYHVUAY-IGZJJKTASA-N	0	364.394	FD	1.392	0	Anodyne	ref	FDAARN	COc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)[C@@H](O)/C=C\C[C@H](C)OC2=O	in-vitro
COc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)[C@@H](O)/C=C\C[C@@H](C)OC2=O	ZINC000014852081	69/98/87/518699887	BPOLRDGTYHVUAY-QSSKBRLWSA-N	0	364.394	FD	1.392	0	Anodyne	ref	FDAARN	COc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)[C@@H](O)/C=C\C[C@@H](C)OC2=O	in-vitro
COc1ccc2c(c1OC)N=C(NC(=O)c1cccnc1)N1CCN=C21	ZINC000019862634	26/06/33/211260633	ZJAVHOMVDCMAMF-UHFFFAOYSA-N	0	351.366	FD	1.592	0	Anodyne	ref	FDAARN	COc1ccc2c(c1OC)N=C(NC(=O)c1cccnc1)N1CCN=C21	in-vitro
NC(=O)Nc1cc(-c2ccc(CN3CCOCC3)cc2)sc1C(N)=O	ZINC000034055196	59/11/93/519591193	MOWJKFWTFZWXHW-UHFFFAOYSA-N	1	360.439	FD	1.837	1	Anodyne	mid	FDAAMO	NC(=O)Nc1cc(-c2ccc(C[NH+]3CCOCC3)cc2)sc1C(N)=O	in-vitro
NC(=O)Nc1cc(-c2ccc(CN3CCOCC3)cc2)sc1C(N)=O	ZINC000034055196	59/11/72/519591172	MOWJKFWTFZWXHW-UHFFFAOYSA-N	0	360.439	FD	1.837	0	Anodyne	ref	FDAARN	NC(=O)Nc1cc(-c2ccc(CN3CCOCC3)cc2)sc1C(N)=O	in-vitro
O=C1Nc2ccccc2/C1=C1/Nc2ccccc2/C1=N\OCC[C@H](O)CO	ZINC000035052138	59/87/49/519598749	RKUMZEVCWKZXFV-BJVUTSRTSA-N	1	365.389	FD	1.939	1	Mild	mid	FDEAMO	O=C1Nc2ccccc2/C1=C1/Nc2ccccc2/C1=[NH+]\OCC[C@H](O)CO	in-vitro
O=C1Nc2ccccc2/C1=C1/Nc2ccccc2/C1=N\OCC[C@H](O)CO	ZINC000035052138	59/87/31/519598731	RKUMZEVCWKZXFV-BJVUTSRTSA-N	0	365.389	FD	1.939	0	Mild	ref	FDEARN	O=C1Nc2ccccc2/C1=C1/Nc2ccccc2/C1=N\OCC[C@H](O)CO	in-vitro
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(N)cccc3nc2-1	ZINC000037866089	84/18/10/220841810	FUXVKZWTXQUGMW-FQEVSTJZSA-N	0	363.373	FD	1.662	0	Anodyne	ref	FDAARN	CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(N)cccc3nc2-1	investigational biogenic
OCCn1cc(-c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)cn1	ZINC000043195316	30/25/75/208302575	PDMUGYOXRHVNMO-UHFFFAOYSA-N	0	372.392	FD	1.674	0	Anodyne	ref	FDAARN	OCCn1cc(-c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)cn1	investigational
O=C1Nc2ccccc2/C1=C1/Nc2ccccc2/C1=N\OCC[C@@H](O)CO	ZINC000044681972	11/00/82/205110082	RKUMZEVCWKZXFV-YOCZKUTFSA-N	1	365.389	FD	1.939	1	Mild	mid	FDEAMO	O=C1Nc2ccccc2/C1=C1/Nc2ccccc2/C1=[NH+]\OCC[C@@H](O)CO	in-vivo
O=C1Nc2ccccc2/C1=C1/Nc2ccccc2/C1=N\OCC[C@@H](O)CO	ZINC000044681972	11/00/80/205110080	RKUMZEVCWKZXFV-YOCZKUTFSA-N	0	365.389	FD	1.939	0	Mild	ref	FDEARN	O=C1Nc2ccccc2/C1=C1/Nc2ccccc2/C1=N\OCC[C@@H](O)CO	in-vivo
CC(C)(C)OC(=O)CN1C(=O)[C@@]2(CCNC2=O)c2cc(Cl)ccc21	ZINC000064859525	04/66/19/212046619	FXDFCQKNBUKFLH-KRWDZBQOSA-N	0	350.802	FD	1.786	0	Anodyne	ref	FDAARN	CC(C)(C)OC(=O)CN1C(=O)[C@@]2(CCNC2=O)c2cc(Cl)ccc21	in-vitro
CC(C)(C)OC(=O)CN1C(=O)[C@]2(CCNC2=O)c2cc(Cl)ccc21	ZINC000064859528	04/64/86/212046486	FXDFCQKNBUKFLH-QGZVFWFLSA-N	0	350.802	FD	1.786	0	Anodyne	ref	FDAARN	CC(C)(C)OC(=O)CN1C(=O)[C@]2(CCNC2=O)c2cc(Cl)ccc21	in-vitro
CCS(=O)(=O)N1CC(CC#N)(n2cc(-c3ncnc4[nH]ccc34)cn2)C1	ZINC000073069247	66/00/23/521660023	XUZMWHLSFXCVMG-UHFFFAOYSA-N	0	371.426	FD	1.096	0	Mild	ref	FDEARN	CCS(=O)(=O)N1CC(CC#N)(n2cc(-c3ncnc4[nH]ccc34)cn2)C1	investigational
CC(C)c1cccc(C(C)C)c1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O	ZINC000077312651	60/43/92/221604392	JZSJIASBMOIIKI-RUKPJNHUSA-N	-1	354.399	FD	1.204	0	Anodyne	ref	FDAARM	CC(C)c1cccc(C(C)C)c1O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O	world
CC(C)(C)NS(=O)(=O)c1cncc(-c2cc(F)c3nc(N)nn3c2)c1	ZINC000084708455	32/45/20/524324520	RXRZPHQBTHQXSV-UHFFFAOYSA-N	0	364.406	FD	1.589	0	Anodyne	ref	FDAARN	CC(C)(C)NS(=O)(=O)c1cncc(-c2cc(F)c3nc(N)nn3c2)c1	in-vitro
Cc1nc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc2n1C(C)C	ZINC000095644685	21/59/16/132215916	QYBGBLQCOOISAR-UHFFFAOYSA-N	0	354.418	FD	1.591	0	Anodyne	ref	FDAARN	Cc1nc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc2n1C(C)C	investigational
CC(C)[C@H](NC(=O)c1nn(CCCCC(=O)O)c2ccccc12)C(N)=O	ZINC000096024608	12/17/92/525121792	QNEBIXFSJOHXCK-HNNXBMFYSA-N	-1	360.414	FD	1.531	0	Anodyne	ref	FDABRM	CC(C)[C@H](NC(=O)c1nn(CCCCC(=O)[O-])c2ccccc12)C(N)=O	in-vitro
CC(C)[C@@H](NC(=O)c1nn(CCCCC(=O)O)c2ccccc12)C(N)=O	ZINC000096024610	12/33/66/525123366	QNEBIXFSJOHXCK-OAHLLOKOSA-N	-1	360.414	FD	1.531	0	Anodyne	ref	FDABRM	CC(C)[C@@H](NC(=O)c1nn(CCCCC(=O)[O-])c2ccccc12)C(N)=O	in-vitro
CC(C)(C)[C@H](NC(=O)c1nn(CCCCC(=O)O)c2ccccc12)C(N)=O	ZINC000096024637	12/20/21/525122021	IVHZMDPVHMCCKJ-MRXNPFEDSA-N	-1	374.441	FD	1.921	0	Anodyne	ref	FDABRM	CC(C)(C)[C@H](NC(=O)c1nn(CCCCC(=O)[O-])c2ccccc12)C(N)=O	in-vitro
CC(C)(C)[C@@H](NC(=O)c1nn(CCCCC(=O)O)c2ccccc12)C(N)=O	ZINC000096024639	12/23/60/525122360	IVHZMDPVHMCCKJ-INIZCTEOSA-N	-1	374.441	FD	1.921	0	Anodyne	ref	FDABRM	CC(C)(C)[C@@H](NC(=O)c1nn(CCCCC(=O)[O-])c2ccccc12)C(N)=O	in-vitro
CC(C)[C@H](NC(=O)c1nn(CCC[C@H](O)CF)c2ccccc12)C(N)=O	ZINC000096024641	12/28/56/525122856	IEYDKWLGOBQFKU-WFASDCNBSA-N	0	364.421	FD	1.387	0	Anodyne	ref	FDABRN	CC(C)[C@H](NC(=O)c1nn(CCC[C@H](O)CF)c2ccccc12)C(N)=O	in-vitro
CC(C)[C@@H](NC(=O)c1nn(CCC[C@H](O)CF)c2ccccc12)C(N)=O	ZINC000096024643	12/32/59/525123259	IEYDKWLGOBQFKU-SWLSCSKDSA-N	0	364.421	FD	1.387	0	Anodyne	ref	FDABRN	CC(C)[C@@H](NC(=O)c1nn(CCC[C@H](O)CF)c2ccccc12)C(N)=O	in-vitro
CC(C)[C@H](NC(=O)c1nn(CCC[C@@H](O)CF)c2ccccc12)C(N)=O	ZINC000096024645	12/25/03/525122503	IEYDKWLGOBQFKU-DOMZBBRYSA-N	0	364.421	FD	1.387	0	Anodyne	ref	FDABRN	CC(C)[C@H](NC(=O)c1nn(CCC[C@@H](O)CF)c2ccccc12)C(N)=O	in-vitro
CC(C)[C@@H](NC(=O)c1nn(CCC[C@@H](O)CF)c2ccccc12)C(N)=O	ZINC000096024647	12/34/90/525123490	IEYDKWLGOBQFKU-IUODEOHRSA-N	0	364.421	FD	1.387	0	Anodyne	ref	FDABRN	CC(C)[C@@H](NC(=O)c1nn(CCC[C@@H](O)CF)c2ccccc12)C(N)=O	in-vitro
C[C@H](O)CCCn1nc(C(=O)N[C@@H](C(N)=O)C(C)(C)C)c2ccccc21	ZINC000096024649	12/33/51/525123351	PLWUNCALBOFEBI-LRDDRELGSA-N	0	360.458	FD	1.827	0	Anodyne	ref	FDABRN	C[C@H](O)CCCn1nc(C(=O)N[C@@H](C(N)=O)C(C)(C)C)c2ccccc21	in-vitro
C[C@@H](O)CCCn1nc(C(=O)N[C@@H](C(N)=O)C(C)(C)C)c2ccccc21	ZINC000096024651	12/21/96/525122196	PLWUNCALBOFEBI-WBMJQRKESA-N	0	360.458	FD	1.827	0	Anodyne	ref	FDABRN	C[C@@H](O)CCCn1nc(C(=O)N[C@@H](C(N)=O)C(C)(C)C)c2ccccc21	in-vitro
C[C@H](O)CCCn1nc(C(=O)N[C@H](C(N)=O)C(C)(C)C)c2ccccc21	ZINC000096024652	12/19/30/525121930	PLWUNCALBOFEBI-BLLLJJGKSA-N	0	360.458	FD	1.827	0	Anodyne	ref	FDABRN	C[C@H](O)CCCn1nc(C(=O)N[C@H](C(N)=O)C(C)(C)C)c2ccccc21	in-vitro
C[C@@H](O)CCCn1nc(C(=O)N[C@H](C(N)=O)C(C)(C)C)c2ccccc21	ZINC000096024654	12/21/64/525122164	PLWUNCALBOFEBI-MLGOLLRUSA-N	0	360.458	FD	1.827	0	Anodyne	ref	FDABRN	C[C@@H](O)CCCn1nc(C(=O)N[C@H](C(N)=O)C(C)(C)C)c2ccccc21	in-vitro
CC(C)(C)[C@H](NC(=O)c1nn(CCCCCO)c2ccccc12)C(N)=O	ZINC000096032868	12/32/71/525123271	SATSPSXEJHKPRR-MRXNPFEDSA-N	0	360.458	FD	1.829	0	Anodyne	ref	FDABRN	CC(C)(C)[C@H](NC(=O)c1nn(CCCCCO)c2ccccc12)C(N)=O	in-vitro
CC(C)(C)[C@@H](NC(=O)c1nn(CCCCCO)c2ccccc12)C(N)=O	ZINC000096032870	12/24/25/525122425	SATSPSXEJHKPRR-INIZCTEOSA-N	0	360.458	FD	1.829	0	Anodyne	ref	FDABRN	CC(C)(C)[C@@H](NC(=O)c1nn(CCCCCO)c2ccccc12)C(N)=O	in-vitro
O=C(O)CNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O	ZINC000100073972	20/99/26/525209926	CAOSCCRYLYQBES-UHFFFAOYSA-N	-2	352.346	FD	1.57	0	Anodyne	ref	FDAARL	O=C([O-])CNC(=O)c1c([O-])c2ccccc2n(Cc2ccccc2)c1=O	in-vitro
Cc1cnc2c(C(=O)NCCO)cn(Cc3ncnc(N(C)C)c3C)c2c1	ZINC000169353747	62/42/30/525624230	BLNAAWXUNQHVNT-UHFFFAOYSA-N	0	368.441	FD	1.28	0	Anodyne	ref	FDAARN	Cc1cnc2c(C(=O)NCCO)cn(Cc3ncnc(N(C)C)c3C)c2c1	in-vitro
CC(C)[C@H](NC(=O)c1nn(CC2CCC(O)CC2)c2ccccc12)C(N)=O	ZINC000299817140	11/71/52/529117152	GAXQKKYBSIFRJX-KVULBXGLSA-N	0	372.469	FD	1.827	0	Anodyne	ref	FDABRN	CC(C)[C@H](NC(=O)c1nn(CC2CCC(O)CC2)c2ccccc12)C(N)=O	in-vitro
CC(C)[C@H](NC(=O)c1nn(C[C@@H]2CCC[C@@H](O)C2)c2ccccc12)C(N)=O	ZINC000299817174	11/75/18/529117518	JPYMZGZGKXHPPL-CPUCHLNUSA-N	0	372.469	FD	1.827	0	Anodyne	ref	FDABRN	CC(C)[C@H](NC(=O)c1nn(C[C@@H]2CCC[C@@H](O)C2)c2ccccc12)C(N)=O	in-vitro
CC(C)[C@H](NC(=O)c1nn(C[C@@H]2CCC[C@H](O)C2)c2ccccc12)C(N)=O	ZINC000299817175	04/28/18/210042818	JPYMZGZGKXHPPL-KEYYUXOJSA-N	0	372.469	FD	1.827	0	Anodyne	ref	FDABRN	CC(C)[C@H](NC(=O)c1nn(C[C@@H]2CCC[C@H](O)C2)c2ccccc12)C(N)=O	in-vitro
CC(C)[C@H](NC(=O)c1nn(C[C@H]2CCC[C@@H](O)C2)c2ccccc12)C(N)=O	ZINC000299817176	31/88/90/571318890	JPYMZGZGKXHPPL-VBQJREDUSA-N	0	372.469	FD	1.827	0	Anodyne	ref	FDABRN	CC(C)[C@H](NC(=O)c1nn(C[C@H]2CCC[C@@H](O)C2)c2ccccc12)C(N)=O	in-vitro
CC(C)[C@H](NC(=O)c1nn(C[C@H]2CCC[C@H](O)C2)c2ccccc12)C(N)=O	ZINC000299817177	77/80/12/203778012	JPYMZGZGKXHPPL-ZQIUZPCESA-N	0	372.469	FD	1.827	0	Anodyne	ref	FDABRN	CC(C)[C@H](NC(=O)c1nn(C[C@H]2CCC[C@H](O)C2)c2ccccc12)C(N)=O	in-vitro