O=C(O)Cc1nn(Cc2ccc(Br)cc2F)c(=O)c2ccccc12	ZINC000000538211	16/39/41/212163941	LKBFFDOJUKLQNY-UHFFFAOYSA-N	-1	391.196	GF	2.974	0	Anodyne	ref	GFAARM	O=C([O-])Cc1nn(Cc2ccc(Br)cc2F)c(=O)c2ccccc12	investigational
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
O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc(Cl)cc1	ZINC000001024901	34/24/13/206342413	JFUIMTGOQCQTPF-UHFFFAOYSA-N	0	392.786	GF	2.958	0	Anodyne	ref	GFAARN	O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc(Cl)cc1	in-vivo
O=C(/C=C/c1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO	ZINC000001494627	33/09/45/209330945	BWDQBBCUWLSASG-MDZDMXLPSA-N	1	379.46	GF	2.724	1	Mild	mid	GFEAMO	O=C(/C=C/c1ccc(C[N@@H+](CCO)CCc2c[nH]c3ccccc23)cc1)NO	investigational
O=C(/C=C/c1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO	ZINC000001494627	33/09/38/209330938	BWDQBBCUWLSASG-MDZDMXLPSA-N	1	379.46	GF	2.724	0	Mild	ref	GFEARO	O=C(/C=C/c1ccc(C[N@H+](CCO)CCc2c[nH]c3ccccc23)cc1)NO	investigational
CN(C)C(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1	ZINC000001544567	33/27/33/209332733	HINJNZFCMLSBCI-PKOBYXMFSA-N	0	399.878	GF	2.611	0	Anodyne	ref	GFAARN	CN(C)C(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1	in-vitro
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
C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)CF	ZINC000001547017	24/86/98/212248698	ASXVEBPEZMSPHB-YJBOKZPZSA-N	0	386.423	GF	2.567	0	Anodyne	ref	GFAARN	C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)CF	in-vitro
Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1	ZINC000001996784	26/19/74/212261974	PBAPPPCECJKMCM-IBGZPJMESA-N	1	396.516	GF	2.772	0	Anodyne	ref	GFAARO	Nc1nc(CC(=O)Nc2ccc(CC[NH2+]C[C@H](O)c3ccccc3)cc2)cs1	fda
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
C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)CF	ZINC000002584033	29/15/49/570291549	ASXVEBPEZMSPHB-QAPCUYQASA-N	0	386.423	GF	2.567	0	Anodyne	ref	GFAARN	C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)CF	in-vitro
COc1ccc(C(=O)N2CCN(c3ccc4c(c3)CCC(=O)N4)CC2)cc1OC	ZINC000003781942	19/37/08/136193708	ZVNYJIZDIRKMBF-UHFFFAOYSA-N	0	395.459	GF	2.551	0	Clean	ref	GFCARN	COc1ccc(C(=O)N2CCN(c3ccc4c(c3)CCC(=O)N4)CC2)cc1OC	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
CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	ZINC000003816310	70/10/31/570701031	PIQCTGMSNWUMAF-UHFFFAOYSA-N	0	392.438	GF	2.545	3	Anodyne	high	GFAAHN	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	investigational
CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	ZINC000003816310	70/10/29/570701029	PIQCTGMSNWUMAF-UHFFFAOYSA-N	0	392.438	GF	2.545	1	Anodyne	mid	GFAAMN	CN1CCN(c2ccc3[nH]c(-c4c(N)c5c(F)cccc5[nH]c4=O)nc3c2)CC1	investigational
CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	ZINC000003816310	70/10/27/570701027	PIQCTGMSNWUMAF-UHFFFAOYSA-N	1	392.438	GF	2.545	1	Anodyne	mid	GFAAMO	C[NH+]1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	investigational
CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	ZINC000003816310	70/10/22/570701022	PIQCTGMSNWUMAF-UHFFFAOYSA-N	1	392.438	GF	2.545	0	Anodyne	ref	GFAARO	C[NH+]1CCN(c2ccc3[nH]c(-c4c(N)c5c(F)cccc5[nH]c4=O)nc3c2)CC1	investigational
NCCc1cn(S(=O)(=O)c2c(Cl)nc3sccn23)c2ccccc12	ZINC000003816551	02/00/50/204020050	RYBOXBBYCVOYNO-UHFFFAOYSA-N	1	380.882	GF	2.742	0	Anodyne	ref	GFAARO	[NH3+]CCc1cn(S(=O)(=O)c2c(Cl)nc3sccn23)c2ccccc12	in-vitro
COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC	ZINC000003817793	35/11/67/570351167	JWQOJVOKBAAAAR-UHFFFAOYSA-N	1	390.403	GF	2.651	2	Anodyne	low	GFAALO	COc1ccc(-c2cc3[nH+]ccn3c(Nc3ncccc3C(N)=O)n2)cc1OC	in-vitro
COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC	ZINC000003817793	35/11/65/570351165	JWQOJVOKBAAAAR-UHFFFAOYSA-N	0	390.403	GF	2.651	0	Anodyne	ref	GFAARN	COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC	in-vitro
Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc32)nc2cccc(C)c2c1=O	ZINC000003841590	35/11/81/570351181	GNWHRHGTIBRNSM-UHFFFAOYSA-N	0	397.442	GF	2.773	0	Anodyne	ref	GFAARN	Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc32)nc2cccc(C)c2c1=O	in-vitro
C[C@H]1CN(c2c(F)c(F)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@@H](C)N1	ZINC000003882891	02/17/24/204021724	QIPQASLPWJVQMH-DTORHVGOSA-N	-1	395.381	GF	2.639	3	Anodyne	high	GFAAHM	C[C@H]1CN(c2c(F)c(F)c3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)C[C@@H](C)N1	world
C[C@H]1CN(c2c(F)c(F)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@@H](C)N1	ZINC000003882891	02/17/21/204021721	QIPQASLPWJVQMH-DTORHVGOSA-N	0	395.381	GF	2.639	0	Anodyne	ref	GFAARN	C[C@H]1CN(c2c(F)c(F)c3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)C[C@@H](C)[NH2+]1	world
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
COc1ccnc(C[S@@](=O)[C@@H]2Nc3ccc(OC(F)F)cc3N2)c1OC	ZINC000005115805	13/94/02/209139402	MTYWFNZUFLIARL-DXPJPUQTSA-N	0	385.392	GF	2.77	0	Anodyne	ref	GFABRN	COc1ccnc(C[S@@](=O)[C@@H]2Nc3ccc(OC(F)F)cc3N2)c1OC	in-vitro
COc1ccnc(C[S@](=O)[C@@H]2Nc3ccc(OC(F)F)cc3N2)c1OC	ZINC000005115811	20/07/09/560200709	MTYWFNZUFLIARL-AKJBCIBTSA-N	0	385.392	GF	2.77	0	Anodyne	ref	GFABRN	COc1ccnc(C[S@](=O)[C@@H]2Nc3ccc(OC(F)F)cc3N2)c1OC	in-vitro
C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)CF	ZINC000006020029	16/11/33/204161133	ASXVEBPEZMSPHB-MAUKXSAKSA-N	0	386.423	GF	2.567	0	Anodyne	ref	GFAARN	C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)CF	 
C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)CF	ZINC000006032442	46/43/59/570464359	ASXVEBPEZMSPHB-CRAIPNDOSA-N	0	386.423	GF	2.567	0	Anodyne	ref	GFAARN	C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)CF	 
C[C@@H]1CN(c2c(F)c(F)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@@H](C)N1	ZINC000006625674	66/23/34/209662334	QIPQASLPWJVQMH-RKDXNWHRSA-N	-1	395.381	GF	2.639	3	Anodyne	high	GFAAHM	C[C@@H]1CN(c2c(F)c(F)c3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)C[C@@H](C)N1	 
C[C@@H]1CN(c2c(F)c(F)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@@H](C)N1	ZINC000006625674	66/23/29/209662329	QIPQASLPWJVQMH-RKDXNWHRSA-N	0	395.381	GF	2.639	0	Anodyne	ref	GFAARN	C[C@@H]1CN(c2c(F)c(F)c3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)C[C@@H](C)[NH2+]1	 
C[C@H]1CN(c2c(F)c(F)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@H](C)N1	ZINC000006625891	48/53/79/570485379	QIPQASLPWJVQMH-IUCAKERBSA-N	-1	395.381	GF	2.639	3	Anodyne	high	GFAAHM	C[C@H]1CN(c2c(F)c(F)c3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)C[C@H](C)N1	 
C[C@H]1CN(c2c(F)c(F)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@H](C)N1	ZINC000006625891	48/53/74/570485374	QIPQASLPWJVQMH-IUCAKERBSA-N	0	395.381	GF	2.639	0	Anodyne	ref	GFAARN	C[C@H]1CN(c2c(F)c(F)c3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)C[C@H](C)[NH2+]1	 
COc1ccccc1C(=O)Nc1cc2c(cc1N1CCCC1)n(C)c(=O)n2C	ZINC000006794685	67/82/89/206678289	QCIJLRJBZDBVDB-UHFFFAOYSA-N	0	380.448	GF	2.738	0	Anodyne	ref	GFAARN	COc1ccccc1C(=O)Nc1cc2c(cc1N1CCCC1)n(C)c(=O)n2C	in-vitro
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
COc1ccnc(C[S@@](=O)[C@H]2Nc3ccc(OC(F)F)cc3N2)c1OC	ZINC000013282270	16/51/01/209165101	MTYWFNZUFLIARL-QMTYFTJSSA-N	0	385.392	GF	2.77	0	Anodyne	ref	GFABRN	COc1ccnc(C[S@@](=O)[C@H]2Nc3ccc(OC(F)F)cc3N2)c1OC	in-vitro
COc1ccnc(C[S@](=O)[C@H]2Nc3ccc(OC(F)F)cc3N2)c1OC	ZINC000013282271	24/68/36/206246836	MTYWFNZUFLIARL-YHAMSUFESA-N	0	385.392	GF	2.77	0	Anodyne	ref	GFABRN	COc1ccnc(C[S@](=O)[C@H]2Nc3ccc(OC(F)F)cc3N2)c1OC	in-vitro
CN(C)C(=O)[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1	ZINC000013780526	78/98/64/570789864	HINJNZFCMLSBCI-MJGOQNOKSA-N	0	399.878	GF	2.611	0	Anodyne	ref	GFABRN	CN(C)C(=O)[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1	 
CN(C)C(=O)[C@H](O)[C@@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1	ZINC000013780527	22/04/01/560220401	HINJNZFCMLSBCI-IEBWSBKVSA-N	0	399.878	GF	2.611	0	Anodyne	ref	GFABRN	CN(C)C(=O)[C@H](O)[C@@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1	in-vitro
CN(C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1	ZINC000013780528	78/98/76/570789876	HINJNZFCMLSBCI-HKUYNNGSSA-N	0	399.878	GF	2.611	0	Anodyne	ref	GFABRN	CN(C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1	 
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
O=C(COc1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000019632822	27/73/71/210277371	BFUJHVVEMMWLHC-UHFFFAOYSA-N	1	388.851	GF	2.792	2	Anodyne	low	GFAALO	O=C(COc1ccc(Cl)cc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1	world
O=C(COc1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000019632822	27/73/64/210277364	BFUJHVVEMMWLHC-UHFFFAOYSA-N	0	388.851	GF	2.792	0	Anodyne	ref	GFAARN	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	world
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
Cc1cn2cc(C(=O)N(C)CCO)cc(N[C@@H]3CCOc4cccc(C)c43)c2n1	ZINC000034893072	54/68/78/570546878	YBHKBMJREUZHOV-QGZVFWFLSA-N	1	394.475	GF	2.951	2	Anodyne	low	GFAALO	Cc1cn2cc(C(=O)N(C)CCO)cc(N[C@@H]3CCOc4cccc(C)c43)c2[nH+]1	in-vitro
Cc1cn2cc(C(=O)N(C)CCO)cc(N[C@@H]3CCOc4cccc(C)c43)c2n1	ZINC000034893072	54/68/71/570546871	YBHKBMJREUZHOV-QGZVFWFLSA-N	0	394.475	GF	2.951	0	Anodyne	ref	GFAARN	Cc1cn2cc(C(=O)N(C)CCO)cc(N[C@@H]3CCOc4cccc(C)c43)c2n1	in-vitro
Cc1cn2cc(C(=O)N(C)CCO)cc(N[C@H]3CCOc4cccc(C)c43)c2n1	ZINC000034893073	80/73/75/570807375	YBHKBMJREUZHOV-KRWDZBQOSA-N	1	394.475	GF	2.951	2	Anodyne	low	GFAALO	Cc1cn2cc(C(=O)N(C)CCO)cc(N[C@H]3CCOc4cccc(C)c43)c2[nH+]1	 
Cc1cn2cc(C(=O)N(C)CCO)cc(N[C@H]3CCOc4cccc(C)c43)c2n1	ZINC000034893073	80/73/71/570807371	YBHKBMJREUZHOV-KRWDZBQOSA-N	0	394.475	GF	2.951	0	Anodyne	ref	GFAARN	Cc1cn2cc(C(=O)N(C)CCO)cc(N[C@H]3CCOc4cccc(C)c43)c2n1	 
CC(=O)[C@]1(O)CC[C@@H]2[C@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@]21C	ZINC000043757608	57/43/14/570574314	FAOZLTXFLGPHNG-UWIGYTGGSA-N	0	376.468	GF	2.923	0	Anodyne	ref	GFAARN	CC(=O)[C@]1(O)CC[C@@H]2[C@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@]21C	investigational
Nc1nc(CC(=O)Nc2ccc(CCNC[C@@H](O)c3ccccc3)cc2)cs1	ZINC000044136504	09/60/85/209096085	PBAPPPCECJKMCM-LJQANCHMSA-N	1	396.516	GF	2.772	0	Anodyne	ref	GFAARO	Nc1nc(CC(=O)Nc2ccc(CC[NH2+]C[C@@H](O)c3ccccc3)cc2)cs1	in-vitro
Cc1ccccc1-n1c(Cn2ncc3c(N)ncnc32)nc2cccc(C)c2c1=O	ZINC000051768817	00/70/90/222007090	KQDBVHKNIYROHU-UHFFFAOYSA-N	1	397.442	GF	2.773	2	Anodyne	low	GFAALO	Cc1ccccc1-n1c(Cn2ncc3c(N)[nH+]cnc32)nc2cccc(C)c2c1=O	in-vitro
Cc1ccccc1-n1c(Cn2ncc3c(N)ncnc32)nc2cccc(C)c2c1=O	ZINC000051768817	00/70/84/222007084	KQDBVHKNIYROHU-UHFFFAOYSA-N	0	397.442	GF	2.773	0	Anodyne	ref	GFAARN	Cc1ccccc1-n1c(Cn2ncc3c(N)ncnc32)nc2cccc(C)c2c1=O	in-vitro
COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1	ZINC000053064442	67/36/76/570673676	AYYCFGDXLUPJAQ-UHFFFAOYSA-N	1	385.508	GF	2.527	1	Anodyne	mid	GFAAMO	COc1ccccc1N1CC[NH+](CCN2C(=O)CC3(CCCC3)CC2=O)CC1	in-vivo
COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1	ZINC000053064442	67/36/74/570673674	AYYCFGDXLUPJAQ-UHFFFAOYSA-N	0	385.508	GF	2.527	0	Anodyne	ref	GFAARN	COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1	in-vivo
COc1cccc(-c2cc(F)ccc2[C@H]2Cc3nc(N)nc(C)c3C(=O)N2)n1	ZINC000060329723	74/10/11/570741011	WSMQUUGTQYPVPD-OAHLLOKOSA-N	0	379.395	GF	2.604	0	Anodyne	ref	GFAARN	COc1cccc(-c2cc(F)ccc2[C@H]2Cc3nc(N)nc(C)c3C(=O)N2)n1	in-vitro
C[C@@H]1[C@H](OC(=O)CCC(=O)O)O[C@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]1[C@@]24OO3	ZINC000064608163	49/70/99/570497099	FIHJKUPKCHIPAT-VYZICLRESA-N	-1	384.425	GF	2.602	0	Anodyne	ref	GFAARM	C[C@@H]1[C@H](OC(=O)CCC(=O)[O-])O[C@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]1[C@@]24OO3	 
NC1=N[C@@]2(c3cc(NC(=O)c4ccc(F)cn4)ccc3F)COC[C@H]2CS1	ZINC000070466423	93/05/61/207930561	NIDRNVHMMDAAIK-YPMLDQLKSA-N	0	390.415	GF	2.515	3	Anodyne	high	GFAAHN	N=C1N[C@@]2(c3cc(NC(=O)c4ccc(F)cn4)ccc3F)COC[C@H]2CS1	investigational
NC1=N[C@@]2(c3cc(NC(=O)c4ccc(F)cn4)ccc3F)COC[C@H]2CS1	ZINC000070466423	93/05/53/207930553	NIDRNVHMMDAAIK-YPMLDQLKSA-N	1	390.415	GF	2.515	0	Anodyne	ref	GFAARO	[NH2+]=C1N[C@@]2(c3cc(NC(=O)c4ccc(F)cn4)ccc3F)COC[C@H]2CS1	investigational
N#Cc1ccc(-c2c(-c3ncn[nH]3)sc(N3CCOCC3)c2C#N)c(F)c1	ZINC000084619044	31/75/59/222317559	MUENOTXSRZEFJV-UHFFFAOYSA-N	0	380.408	GF	2.919	1	Mild	mid	GFEAMN	N#Cc1ccc(-c2c(-c3nc[nH]n3)sc(N3CCOCC3)c2C#N)c(F)c1	in-vivo
N#Cc1ccc(-c2c(-c3ncn[nH]3)sc(N3CCOCC3)c2C#N)c(F)c1	ZINC000084619044	31/75/55/222317555	MUENOTXSRZEFJV-UHFFFAOYSA-N	0	380.408	GF	2.919	0	Mild	ref	GFEARN	N#Cc1ccc(-c2c(-c3nnc[nH]3)sc(N3CCOCC3)c2C#N)c(F)c1	in-vivo
COC1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1	ZINC000095616578	35/89/57/222358957	HYNBNUYQTQIHJK-UHFFFAOYSA-N	0	395.434	GF	2.904	0	Anodyne	ref	GFAARN	COC1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1	in-vitro
C[C@@H](Cn1ccc(-c2ccc(C#N)c(Cl)c2)n1)NC(=O)c1cc([C@@H](C)O)n[nH]1	ZINC000117196038	67/45/69/570674569	BLIJXOOIHRSQRB-NWDGAFQWSA-N	0	398.854	GF	2.67	0	Anodyne	ref	GFAARN	C[C@@H](Cn1ccc(-c2ccc(C#N)c(Cl)c2)n1)NC(=O)c1cc([C@@H](C)O)n[nH]1	investigational
C[C@@H](Cn1ccc(-c2ccc(C#N)c(Cl)c2)n1)NC(=O)c1cc([C@H](C)O)n[nH]1	ZINC000117196041	67/45/20/570674520	BLIJXOOIHRSQRB-RYUDHWBXSA-N	0	398.854	GF	2.67	0	Anodyne	ref	GFAARN	C[C@@H](Cn1ccc(-c2ccc(C#N)c(Cl)c2)n1)NC(=O)c1cc([C@H](C)O)n[nH]1	investigational
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C	ZINC000118912517	46/52/40/208465240	FAOZLTXFLGPHNG-KNAQIMQKSA-N	0	376.468	GF	2.923	0	Mild	ref	GFEARN	CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C	fda
CC(=O)[C@]1(O)CC[C@@H]2[C@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@H](O)C[C@@]21C	ZINC000254010478	99/20/92/570992092	FAOZLTXFLGPHNG-FKVAMYESSA-N	0	376.468	GF	2.923	0	Mild	ref	GFEBRN	CC(=O)[C@]1(O)CC[C@@H]2[C@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@H](O)C[C@@]21C	investigational
CC(=O)[C@]1(O)CC[C@@H]2[C@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@H](O)C[C@]21C	ZINC000254010483	99/21/49/570992149	FAOZLTXFLGPHNG-GCOVYAQFSA-N	0	376.468	GF	2.923	0	Mild	ref	GFEBRN	CC(=O)[C@]1(O)CC[C@@H]2[C@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@H](O)C[C@]21C	investigational
CC(=O)[C@]1(O)CC[C@@H]2[C@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@@]21C	ZINC000254010487	99/20/43/570992043	FAOZLTXFLGPHNG-YJYMKECSSA-N	0	376.468	GF	2.923	0	Mild	ref	GFEBRN	CC(=O)[C@]1(O)CC[C@@H]2[C@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@@]21C	investigational
Nc1csc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)n1	ZINC000263583845	08/29/64/209082964	BZSURCHRZIYBHU-SFHVURJKSA-N	1	396.516	GF	2.772	0	Anodyne	ref	GFABRO	Nc1csc(CC(=O)Nc2ccc(CC[NH2+]C[C@H](O)c3ccccc3)cc2)n1	 
Nc1csc(CC(=O)Nc2ccc(CCNC[C@@H](O)c3ccccc3)cc2)n1	ZINC000521205716	43/99/31/570439931	BZSURCHRZIYBHU-GOSISDBHSA-N	1	396.516	GF	2.772	0	Anodyne	ref	GFABRO	Nc1csc(CC(=O)Nc2ccc(CC[NH2+]C[C@@H](O)c3ccccc3)cc2)n1