C[C@H](c1ncncc1F)[C@@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000000000842	54/02/35/462540235	BCEHBSKCWLPMDN-HWPZZCPQSA-N	0	349.316	EE	2.177	0	Anodyne	ref	EEAARN	C[C@H](c1ncncc1F)[C@@](O)(Cn1cncn1)c1ccc(F)cc1F	in-vitro
C[C@H](c1ccncn1)[C@@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000000011647	54/92/99/208549299	ZVQLILUCRUIFNH-BZNIZROVSA-N	0	331.326	EE	2.038	0	Anodyne	ref	EEABRN	C[C@H](c1ccncn1)[C@@](O)(Cn1cncn1)c1ccc(F)cc1F	in-vitro
C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000000014864	16/16/87/287161687	BCEHBSKCWLPMDN-MGPLVRAMSA-N	0	349.316	EE	2.177	0	Anodyne	ref	EEAARN	C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F	fda
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	ZINC000000105309	54/24/80/462542480	VSJKWCGYPAHWDS-FQEVSTJZSA-N	0	348.358	EE	2.08	0	Anodyne	ref	EEAARN	CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	biogenic in-vivo
CCCC(=O)Nc1ccc(OC[C@@H](O)CNC(C)C)c(C(C)=O)c1	ZINC000000156792	54/44/19/462544419	GOEMGAFJFRBGGG-HNNXBMFYSA-N	1	336.432	EE	2.365	0	Anodyne	ref	EEAARO	CCCC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]C(C)C)c(C(C)=O)c1	fda
CCCc1nn(C)c(C(N)=O)c1NC(=O)c1ccccc1OCC	ZINC000000384752	55/82/14/462558214	UAFIHVRUICMADE-UHFFFAOYSA-N	0	330.388	EE	2.123	0	Anodyne	ref	EEAARN	CCCc1nn(C)c(C(N)=O)c1NC(=O)c1ccccc1OCC	in-vitro
CCCC(=O)Nc1ccc(OC[C@H](O)CNC(C)C)c(C(C)=O)c1	ZINC000000968255	57/43/91/462574391	GOEMGAFJFRBGGG-OAHLLOKOSA-N	1	336.432	EE	2.365	0	Anodyne	ref	EEAARO	CCCC(=O)Nc1ccc(OC[C@H](O)C[NH2+]C(C)C)c(C(C)=O)c1	fda
CC(C)NC[C@H](O)COc1ccc(COCCOC(C)C)cc1	ZINC000001530569	58/35/50/462583550	VHYCDWMUTMEGQY-KRWDZBQOSA-N	1	325.449	EE	2.366	0	Anodyne	ref	EEAARO	CC(C)[NH2+]C[C@H](O)COc1ccc(COCCOC(C)C)cc1	fda
CC(C)NC[C@@H](O)COc1ccc(COCCOC(C)C)cc1	ZINC000001530570	58/35/12/462583512	VHYCDWMUTMEGQY-QGZVFWFLSA-N	1	325.449	EE	2.366	0	Anodyne	ref	EEAARO	CC(C)[NH2+]C[C@@H](O)COc1ccc(COCCOC(C)C)cc1	fda
CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1	ZINC000003812908	07/73/31/210077331	SMTZFNFIKUPEJC-UHFFFAOYSA-N	0	348.443	EE	2.121	3	Anodyne	high	EEAAHN	CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1	world
CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1	ZINC000003812908	07/73/25/210077325	SMTZFNFIKUPEJC-UHFFFAOYSA-N	1	348.443	EE	2.121	0	Anodyne	ref	EEAARO	CC(=O)OCC(=O)NCCCOc1cccc(C[NH+]2CCCCC2)c1	world
CC(C)NC[C@H](O)COc1ccc(C(=O)OCCOC(C)C)cc1	ZINC000008306498	92/97/81/210929781	DUPZZHDDPRYPMB-INIZCTEOSA-N	1	339.432	EE	2.006	0	Anodyne	ref	EEAARO	CC(C)[NH2+]C[C@H](O)COc1ccc(C(=O)OCCOC(C)C)cc1	in-vitro
CC(C)NC[C@@H](O)COc1ccc(C(=O)OCCOC(C)C)cc1	ZINC000008306499	92/92/43/210929243	DUPZZHDDPRYPMB-MRXNPFEDSA-N	1	339.432	EE	2.006	0	Anodyne	ref	EEAARO	CC(C)[NH2+]C[C@@H](O)COc1ccc(C(=O)OCCOC(C)C)cc1	in-vitro
C[C@@H](c1ccncn1)[C@@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000013888552	24/38/11/296243811	ZVQLILUCRUIFNH-ZBEGNZNMSA-N	0	331.326	EE	2.038	0	Anodyne	ref	EEABRN	C[C@@H](c1ccncn1)[C@@](O)(Cn1cncn1)c1ccc(F)cc1F	in-vitro
C[C@@H](c1ccncn1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000013888553	24/39/03/296243903	ZVQLILUCRUIFNH-MEDUHNTESA-N	0	331.326	EE	2.038	0	Anodyne	ref	EEAARN	C[C@@H](c1ccncn1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F	in-vitro
C[C@H](c1ccncn1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000013888554	92/02/25/201920225	ZVQLILUCRUIFNH-BDJLRTHQSA-N	0	331.326	EE	2.038	0	Anodyne	ref	EEABRN	C[C@H](c1ccncn1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F	in-vitro
COc1ccc2nc([S@@](=O)Cc3[nH]cc(C)c(=O)c3C)[nH]c2c1	ZINC000022060966	27/40/11/212274011	VSOAYQZFYNZNKR-HSZRJFAPSA-N	0	331.397	EE	2.184	1	Anodyne	mid	EEAAMN	COc1ccc2nc([S@@](=O)Cc3[nH]cc(C)c(=O)c3C)[nH]c2c1	in-vitro
COc1ccc2nc([S@@](=O)Cc3[nH]cc(C)c(=O)c3C)[nH]c2c1	ZINC000022060966	27/40/09/212274009	VSOAYQZFYNZNKR-HSZRJFAPSA-N	0	331.397	EE	2.184	0	Anodyne	ref	EEAARN	COc1ccc2[nH]c([S@@](=O)Cc3[nH]cc(C)c(=O)c3C)nc2c1	in-vitro
COc1ccc2nc([S@](=O)Cc3[nH]cc(C)c(=O)c3C)[nH]c2c1	ZINC000022060969	27/39/69/212273969	VSOAYQZFYNZNKR-QHCPKHFHSA-N	0	331.397	EE	2.184	1	Anodyne	mid	EEAAMN	COc1ccc2nc([S@](=O)Cc3[nH]cc(C)c(=O)c3C)[nH]c2c1	in-vitro
COc1ccc2nc([S@](=O)Cc3[nH]cc(C)c(=O)c3C)[nH]c2c1	ZINC000022060969	27/39/66/212273966	VSOAYQZFYNZNKR-QHCPKHFHSA-N	0	331.397	EE	2.184	0	Anodyne	ref	EEAARN	COc1ccc2[nH]c([S@](=O)Cc3[nH]cc(C)c(=O)c3C)nc2c1	in-vitro
O=C(O)c1cn(C2CC2)c2cc(Cl)c(N3CCNCC3)cc2c1=O	ZINC000034529224	27/44/06/304274406	CMKOKYODRILRKU-UHFFFAOYSA-N	-1	347.802	EE	2.098	3	Anodyne	high	EEABHM	O=C([O-])c1cn(C2CC2)c2cc(Cl)c(N3CCNCC3)cc2c1=O	in-vitro
O=C(O)c1cn(C2CC2)c2cc(Cl)c(N3CCNCC3)cc2c1=O	ZINC000034529224	27/44/03/304274403	CMKOKYODRILRKU-UHFFFAOYSA-N	1	347.802	EE	2.098	2	Anodyne	low	EEABLO	O=C(O)c1cn(C2CC2)c2cc(Cl)c(N3CC[NH2+]CC3)cc2c1=O	in-vitro
O=C(O)c1cn(C2CC2)c2cc(Cl)c(N3CCNCC3)cc2c1=O	ZINC000034529224	27/43/99/304274399	CMKOKYODRILRKU-UHFFFAOYSA-N	0	347.802	EE	2.098	0	Anodyne	ref	EEABRN	O=C([O-])c1cn(C2CC2)c2cc(Cl)c(N3CC[NH2+]CC3)cc2c1=O	in-vitro
CCCOCCOCc1ccc(OC[C@H](O)CNC(C)C)cc1	ZINC000067664933	17/71/54/215177154	QQQJXQPOCNDBDS-QGZVFWFLSA-N	1	325.449	EE	2.367	0	Anodyne	ref	EEABRO	CCCOCCOCc1ccc(OC[C@H](O)C[NH2+]C(C)C)cc1	in-vitro
CCCOCCOCc1ccc(OC[C@@H](O)CNC(C)C)cc1	ZINC000067664935	03/47/07/463034707	QQQJXQPOCNDBDS-KRWDZBQOSA-N	1	325.449	EE	2.367	0	Anodyne	ref	EEABRO	CCCOCCOCc1ccc(OC[C@@H](O)C[NH2+]C(C)C)cc1	in-vitro