C[C@H](CCc1ccccc1)NC[C@@H](O)c1ccc(O)c(C(N)=O)c1	ZINC000000000416	54/01/16/462540116	SGUAFYQXFOLMHL-FZKQIMNGSA-N	0	328.412	EE	2.135	3	Anodyne	high	EEAAHN	C[C@H](CCc1ccccc1)[NH2+]C[C@@H](O)c1ccc([O-])c(C(N)=O)c1	fda
C[C@H](CCc1ccccc1)NC[C@@H](O)c1ccc(O)c(C(N)=O)c1	ZINC000000000416	54/01/13/462540113	SGUAFYQXFOLMHL-FZKQIMNGSA-N	1	328.412	EE	2.135	0	Anodyne	ref	EEAARO	C[C@H](CCc1ccccc1)[NH2+]C[C@@H](O)c1ccc(O)c(C(N)=O)c1	fda
COc1ccc(C[C@H](C)NC[C@@H](O)c2ccc(O)c(NC=O)c2)cc1	ZINC000000000856	53/99/00/462539900	BPZSYCZIITTYBL-ORAYPTAESA-N	0	344.411	EE	2.223	3	Anodyne	high	EEAAHN	COc1ccc(C[C@H](C)[NH2+]C[C@@H](O)c2ccc([O-])c(NC=O)c2)cc1	fda
COc1ccc(C[C@H](C)NC[C@@H](O)c2ccc(O)c(NC=O)c2)cc1	ZINC000000000856	53/98/97/462539897	BPZSYCZIITTYBL-ORAYPTAESA-N	1	344.411	EE	2.223	0	Anodyne	ref	EEAARO	COc1ccc(C[C@H](C)[NH2+]C[C@@H](O)c2ccc(O)c(NC=O)c2)cc1	fda
C[C@H](CCc1ccccc1)NC[C@H](O)c1ccc(O)c(C(N)=O)c1	ZINC000000004319	54/03/51/462540351	SGUAFYQXFOLMHL-ACJLOTCBSA-N	0	328.412	EE	2.135	3	Anodyne	high	EEAAHN	C[C@H](CCc1ccccc1)[NH2+]C[C@H](O)c1ccc([O-])c(C(N)=O)c1	fda
C[C@H](CCc1ccccc1)NC[C@H](O)c1ccc(O)c(C(N)=O)c1	ZINC000000004319	54/03/46/462540346	SGUAFYQXFOLMHL-ACJLOTCBSA-N	1	328.412	EE	2.135	0	Anodyne	ref	EEAARO	C[C@H](CCc1ccccc1)[NH2+]C[C@H](O)c1ccc(O)c(C(N)=O)c1	fda
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
O=C(O)[C@H](Cc1c[nH]c2ccccc12)N1C(=O)c2ccccc2C1=O	ZINC000000084613	54/15/03/462541503	HPTXLHAHLXOAKV-INIZCTEOSA-N	-1	334.331	EE	2.46	0	Anodyne	ref	EEAARM	O=C([O-])[C@H](Cc1c[nH]c2ccccc12)N1C(=O)c2ccccc2C1=O	in-vivo
O=C(O)[C@@H](Cc1c[nH]c2ccccc12)N1C(=O)c2ccccc2C1=O	ZINC000000084617	09/41/64/304094164	HPTXLHAHLXOAKV-MRXNPFEDSA-N	-1	334.331	EE	2.46	0	Anodyne	ref	EEAARM	O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)N1C(=O)c2ccccc2C1=O	in-vivo
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
C[C@@H](CCc1ccccc1)NC[C@H](O)c1ccc(O)c(C(N)=O)c1	ZINC000000403010	55/94/62/462559462	SGUAFYQXFOLMHL-UGSOOPFHSA-N	0	328.412	EE	2.135	3	Anodyne	high	EEAAHN	C[C@@H](CCc1ccccc1)[NH2+]C[C@H](O)c1ccc([O-])c(C(N)=O)c1	fda
C[C@@H](CCc1ccccc1)NC[C@H](O)c1ccc(O)c(C(N)=O)c1	ZINC000000403010	55/94/58/462559458	SGUAFYQXFOLMHL-UGSOOPFHSA-N	1	328.412	EE	2.135	0	Anodyne	ref	EEAARO	C[C@@H](CCc1ccccc1)[NH2+]C[C@H](O)c1ccc(O)c(C(N)=O)c1	fda
C[C@@H](CCc1ccccc1)NC[C@@H](O)c1ccc(O)c(C(N)=O)c1	ZINC000000403011	55/92/85/462559285	SGUAFYQXFOLMHL-SCLBCKFNSA-N	0	328.412	EE	2.135	3	Anodyne	high	EEAAHN	C[C@@H](CCc1ccccc1)[NH2+]C[C@@H](O)c1ccc([O-])c(C(N)=O)c1	fda
C[C@@H](CCc1ccccc1)NC[C@@H](O)c1ccc(O)c(C(N)=O)c1	ZINC000000403011	55/92/78/462559278	SGUAFYQXFOLMHL-SCLBCKFNSA-N	1	328.412	EE	2.135	0	Anodyne	ref	EEAARO	C[C@@H](CCc1ccccc1)[NH2+]C[C@@H](O)c1ccc(O)c(C(N)=O)c1	fda
NCC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2ccccc2c1	ZINC000002571331	59/56/22/462595622	YABDXPBHLDPMOA-IBGZPJMESA-N	0	347.418	EE	2.465	1	Anodyne	mid	EEAAMN	NCC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2ccccc2c1	in-vitro
NCC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2ccccc2c1	ZINC000002571331	59/56/10/462595610	YABDXPBHLDPMOA-IBGZPJMESA-N	1	347.418	EE	2.465	0	Anodyne	ref	EEAARO	[NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2ccccc2c1	in-vitro
COc1ccc2[nH]c([S@](=O)Cc3ncc(C)c(OC)c3C)nc2n1	ZINC000003791775	62/49/44/462624944	ZBFDAUIVDSSISP-DEOSSOPVSA-N	-1	346.412	EE	2.295	3	Anodyne	high	EEAAHM	COc1ccc2nc([S@](=O)Cc3ncc(C)c(OC)c3C)[n-]c2n1	world
COc1ccc2[nH]c([S@](=O)Cc3ncc(C)c(OC)c3C)nc2n1	ZINC000003791775	62/49/33/462624933	ZBFDAUIVDSSISP-DEOSSOPVSA-N	0	346.412	EE	2.295	0	Anodyne	ref	EEAARN	COc1ccc2nc([S@](=O)Cc3ncc(C)c(OC)c3C)[nH]c2n1	world
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
N=C(N)c1ccc2cc(OC(=O)c3ccc(N=C(N)N)cc3)ccc2c1	ZINC000003874467	08/20/45/210082045	MQQNFDZXWVTQEH-UHFFFAOYSA-N	1	347.378	EE	2.248	1	Mild	mid	EEEAMO	N=C(N)Nc1ccc(C(=O)Oc2ccc3cc(C(N)=[NH2+])ccc3c2)cc1	world
N=C(N)c1ccc2cc(OC(=O)c3ccc(N=C(N)N)cc3)ccc2c1	ZINC000003874467	08/20/40/210082040	MQQNFDZXWVTQEH-UHFFFAOYSA-N	2	347.378	EE	2.248	0	Mild	ref	EEEARP	NC(=[NH2+])Nc1ccc(C(=O)Oc2ccc3cc(C(N)=[NH2+])ccc3c2)cc1	world
COc1ccc2[nH]c([S@@](=O)Cc3ncc(C)c(OC)c3C)nc2n1	ZINC000009060429	03/60/10/211036010	ZBFDAUIVDSSISP-XMMPIXPASA-N	-1	346.412	EE	2.295	3	Anodyne	high	EEAAHM	COc1ccc2nc([S@@](=O)Cc3ncc(C)c(OC)c3C)[n-]c2n1	world
COc1ccc2[nH]c([S@@](=O)Cc3ncc(C)c(OC)c3C)nc2n1	ZINC000009060429	03/60/05/211036005	ZBFDAUIVDSSISP-XMMPIXPASA-N	0	346.412	EE	2.295	0	Anodyne	ref	EEAARN	COc1ccc2nc([S@@](=O)Cc3ncc(C)c(OC)c3C)[nH]c2n1	world
CCCCC[C@H](O)/C=C/[C@H]1[C@@H](O)C[C@H](O)[C@@H]1C/C=C\CC(=O)O	ZINC000012495732	85/36/95/462853695	IDKLJIUIJUVJNR-KSJYGFEGSA-N	-1	326.433	EE	2.263	0	Anodyne	ref	EEABRM	CCCCC[C@H](O)/C=C/[C@H]1[C@@H](O)C[C@H](O)[C@@H]1C/C=C\CC(=O)[O-]	in-vitro
Nc1nc(OCc2cc(Br)cs2)c2nc[nH]c2n1	ZINC000013470184	89/36/59/462893659	JUJPKFNFCWJBCX-UHFFFAOYSA-N	0	326.179	EE	2.338	0	Anodyne	ref	EEAARN	Nc1nc(OCc2cc(Br)cs2)c2[nH]cnc2n1	investigational
CCCCC[C@@H](O)/C=C/[C@H]1[C@@H](O)C[C@H](O)[C@@H]1C/C=C\CC(=O)O	ZINC000027641297	56/98/52/212569852	IDKLJIUIJUVJNR-GJNZWNABSA-N	-1	326.433	EE	2.263	0	Anodyne	ref	EEABRM	CCCCC[C@@H](O)/C=C/[C@H]1[C@@H](O)C[C@H](O)[C@@H]1C/C=C\CC(=O)[O-]	in-vitro
CCCCC[C@@H](O)/C=C/[C@H]1OC(=O)C[C@@H](O)[C@@H]1C/C=C\CC(=O)O	ZINC000027642818	57/01/54/212570154	PJAAKFHMQLYVGV-LMFPKDEBSA-N	-1	340.416	EE	2.197	0	Anodyne	ref	EEABRM	CCCCC[C@@H](O)/C=C/[C@H]1OC(=O)C[C@@H](O)[C@@H]1C/C=C\CC(=O)[O-]	in-vitro
CCCCC[C@H](O)/C=C/[C@H]1OC(=O)C[C@@H](O)[C@@H]1C/C=C\CC(=O)O	ZINC000027642824	19/88/09/463198809	PJAAKFHMQLYVGV-FMHJVTBGSA-N	-1	340.416	EE	2.197	0	Anodyne	ref	EEABRM	CCCCC[C@H](O)/C=C/[C@H]1OC(=O)C[C@@H](O)[C@@H]1C/C=C\CC(=O)[O-]	in-vitro
CCCCC[C@H](O)/C=C/[C@H]1OC(=O)C[C@H](O)[C@@H]1C/C=C\CC(=O)O	ZINC000027642837	19/86/20/463198620	PJAAKFHMQLYVGV-YCEKRRLLSA-N	-1	340.416	EE	2.197	0	Anodyne	ref	EEABRM	CCCCC[C@H](O)/C=C/[C@H]1OC(=O)C[C@H](O)[C@@H]1C/C=C\CC(=O)[O-]	in-vitro
COC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C/c1ccc(O)cc1	ZINC000028388321	22/45/22/463224522	ATJBWQGWPYQIAR-KQPPXVQYSA-N	0	325.364	EE	2.306	0	Anodyne	ref	EEAARN	COC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C/c1ccc(O)cc1	in-vitro
CCOC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1	ZINC000029225159	18/28/70/202182870	BEZXGSZPWXRHIN-INIZCTEOSA-N	0	342.351	EE	2.499	0	Bother	ref	EEBARN	CCOC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1	in-vitro
CCCCC[C@H](O)/C=C/[C@@H]1[C@H](C/C=C\CC(=O)O)[C@@H](O)C[C@H]1O	ZINC000030728420	31/02/72/463310272	IDKLJIUIJUVJNR-JSEKUSAISA-N	-1	326.433	EE	2.263	0	Anodyne	ref	EEAARM	CCCCC[C@H](O)/C=C/[C@@H]1[C@H](C/C=C\CC(=O)[O-])[C@@H](O)C[C@H]1O	in-vitro
O=C(O)CC/C=C\C[C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)O	ZINC000033954130	42/52/83/463425283	XWRIIHRGMKHPHN-USRRKILKSA-N	-2	338.4	EE	2.443	0	Anodyne	ref	EEABRL	O=C([O-])CC/C=C\C[C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)[O-]	in-vitro
CCCCC[C@H](O)/C=C/[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1C/C=C\CC(=O)O	ZINC000043772232	65/59/62/463655962	IDKLJIUIJUVJNR-XBQNVODWSA-N	-1	326.433	EE	2.263	0	Anodyne	ref	EEABRM	CCCCC[C@H](O)/C=C/[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1C/C=C\CC(=O)[O-]	in-vitro
CCCCC[C@@H](O)/C=C/[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1C/C=C\CC(=O)O	ZINC000043772233	65/57/49/463655749	IDKLJIUIJUVJNR-YMKVIVOHSA-N	-1	326.433	EE	2.263	0	Anodyne	ref	EEABRM	CCCCC[C@@H](O)/C=C/[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1C/C=C\CC(=O)[O-]	in-vitro
CCCCC[C@H](O)/C=C/[C@H]1OC(=O)C[C@@H](O)[C@H]1C/C=C\CC(=O)O	ZINC000043772454	65/57/67/463655767	PJAAKFHMQLYVGV-WHLJGWSFSA-N	-1	340.416	EE	2.197	0	Anodyne	ref	EEABRM	CCCCC[C@H](O)/C=C/[C@H]1OC(=O)C[C@@H](O)[C@H]1C/C=C\CC(=O)[O-]	in-vitro
CCCCC[C@@H](O)/C=C/[C@H]1OC(=O)C[C@@H](O)[C@H]1C/C=C\CC(=O)O	ZINC000043772455	51/68/79/202516879	PJAAKFHMQLYVGV-MMUGWVHVSA-N	-1	340.416	EE	2.197	0	Anodyne	ref	EEABRM	CCCCC[C@@H](O)/C=C/[C@H]1OC(=O)C[C@@H](O)[C@H]1C/C=C\CC(=O)[O-]	in-vitro
O=C(O)CC/C=C\C[C@@H](O)/C=C/C=C\C=C\[C@@H](O)CCCC(=O)O	ZINC000043898711	66/16/42/463661642	XWRIIHRGMKHPHN-BGPKIDSZSA-N	-2	338.4	EE	2.443	0	Anodyne	ref	EEABRL	O=C([O-])CC/C=C\C[C@@H](O)/C=C/C=C\C=C\[C@@H](O)CCCC(=O)[O-]	in-vitro
COC(=O)c1cc(O)ccc1NC(=O)/C=C/c1ccc(O)c(O)c1	ZINC000045789157	61/81/51/462618151	IUZHCICFVDHVMC-XVNBXDOJSA-N	0	329.308	EE	2.242	0	Clean	ref	EECARN	COC(=O)c1cc(O)ccc1NC(=O)/C=C/c1ccc(O)c(O)c1	in-vitro
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-]	ZINC000085205448	64/08/72/463640872	HYIMSNHJOBLJNT-UHFFFAOYSA-N	0	346.339	EE	2.176	0	Bother	ref	EEBARN	COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-]	fda biogenic
COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2	ZINC000086003193	56/50/24/462565024	TXZPMHLMPKIUGK-UHFFFAOYSA-N	0	347.396	EE	2.473	1	Anodyne	mid	EEAAMN	COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2	in-vitro
COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2	ZINC000086003193	56/50/19/462565019	TXZPMHLMPKIUGK-UHFFFAOYSA-N	-1	347.396	EE	2.473	0	Anodyne	ref	EEAARM	COc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)CN(C)C(=O)N2	in-vitro
CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)N=c2[nH]cc[nH]2)c1	ZINC000095578298	10/88/07/463108807	MBAHGUNQNAJTLD-UHFFFAOYSA-N	0	334.807	EE	2.4	0	Anodyne	ref	EEAARN	CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)Nc2ncc[nH]2)c1	in-vitro
CCc1cc2c(N3CCN(c4nncs4)CC3)ncnc2s1	ZINC000095629674	10/91/17/463109117	QOGDOJHPYGQHKV-UHFFFAOYSA-N	0	332.458	EE	2.432	0	Anodyne	ref	EEAARN	CCc1cc2c(N3CCN(c4nncs4)CC3)ncnc2s1	in-vitro
CCCCC[C@H](O)/C=C/[C@H]1O[C@@H](O)C[C@H](O)[C@@H]1CCCCC(=O)O	ZINC000095644647	10/84/79/463108479	LGWCOUWMTAQMQT-AQMNGDFRSA-N	-1	344.448	EE	2.213	0	Anodyne	ref	EEABRM	CCCCC[C@H](O)/C=C/[C@H]1O[C@@H](O)C[C@H](O)[C@@H]1CCCCC(=O)[O-]	in-vitro
CCCCC[C@H](O)/C=C/[C@H]1O[C@H](O)C[C@H](O)[C@@H]1CCCCC(=O)O	ZINC000095644648	10/83/70/463108370	LGWCOUWMTAQMQT-DLCGWQFBSA-N	-1	344.448	EE	2.213	0	Anodyne	ref	EEABRM	CCCCC[C@H](O)/C=C/[C@H]1O[C@H](O)C[C@H](O)[C@@H]1CCCCC(=O)[O-]	in-vitro
CCCCCn1nc(C(=O)N[C@H](C(N)=O)C(C)C)c2ccccc21	ZINC000095705069	10/92/37/463109237	GIMHPAQOAAZSHS-HNNXBMFYSA-N	0	330.432	EE	2.466	0	Anodyne	ref	EEAARN	CCCCCn1nc(C(=O)N[C@H](C(N)=O)C(C)C)c2ccccc21	in-vitro
CC(C)[C@H](NC(=O)c1nn(CCCCCF)c2ccccc12)C(N)=O	ZINC000096024605	14/09/81/463140981	WCBYXIBEPFZUBG-HNNXBMFYSA-N	0	348.422	EE	2.416	0	Anodyne	ref	EEABRN	CC(C)[C@H](NC(=O)c1nn(CCCCCF)c2ccccc12)C(N)=O	in-vitro
CC(C)[C@H](NC(=O)c1nn(CCC[C@@H](C)F)c2ccccc12)C(N)=O	ZINC000096032847	14/30/17/463143017	KSBISSAWUAIQIT-DOMZBBRYSA-N	0	348.422	EE	2.414	0	Anodyne	ref	EEABRN	CC(C)[C@H](NC(=O)c1nn(CCC[C@@H](C)F)c2ccccc12)C(N)=O	in-vitro
CC(C)[C@@H](NC(=O)c1nn(CCC[C@@H](C)F)c2ccccc12)C(N)=O	ZINC000096032849	14/30/79/463143079	KSBISSAWUAIQIT-IUODEOHRSA-N	0	348.422	EE	2.414	0	Anodyne	ref	EEABRN	CC(C)[C@@H](NC(=O)c1nn(CCC[C@@H](C)F)c2ccccc12)C(N)=O	in-vitro
CC(C)[C@H](NC(=O)c1nn(CCC[C@H](C)F)c2ccccc12)C(N)=O	ZINC000096032851	14/26/76/463142676	KSBISSAWUAIQIT-WFASDCNBSA-N	0	348.422	EE	2.414	0	Anodyne	ref	EEABRN	CC(C)[C@H](NC(=O)c1nn(CCC[C@H](C)F)c2ccccc12)C(N)=O	in-vitro
CC(C)[C@@H](NC(=O)c1nn(CCC[C@H](C)F)c2ccccc12)C(N)=O	ZINC000096032853	14/28/77/463142877	KSBISSAWUAIQIT-SWLSCSKDSA-N	0	348.422	EE	2.414	0	Anodyne	ref	EEABRN	CC(C)[C@@H](NC(=O)c1nn(CCC[C@H](C)F)c2ccccc12)C(N)=O	in-vitro
CCC[C@H](F)Cn1nc(C(=O)N[C@H](C(N)=O)C(C)C)c2ccccc21	ZINC000097758827	36/31/50/463363150	VKIBZLGSWZHFJD-WFASDCNBSA-N	0	348.422	EE	2.414	0	Anodyne	ref	EEABRN	CCC[C@H](F)Cn1nc(C(=O)N[C@H](C(N)=O)C(C)C)c2ccccc21	in-vitro
CCC[C@@H](F)Cn1nc(C(=O)N[C@H](C(N)=O)C(C)C)c2ccccc21	ZINC000097758828	36/20/22/463362022	VKIBZLGSWZHFJD-DOMZBBRYSA-N	0	348.422	EE	2.414	0	Anodyne	ref	EEABRN	CCC[C@@H](F)Cn1nc(C(=O)N[C@H](C(N)=O)C(C)C)c2ccccc21	in-vitro
CCC[C@H](F)Cn1nc(C(=O)N[C@@H](C(N)=O)C(C)C)c2ccccc21	ZINC000097758829	36/31/09/463363109	VKIBZLGSWZHFJD-SWLSCSKDSA-N	0	348.422	EE	2.414	0	Anodyne	ref	EEABRN	CCC[C@H](F)Cn1nc(C(=O)N[C@@H](C(N)=O)C(C)C)c2ccccc21	in-vitro
CCC[C@@H](F)Cn1nc(C(=O)N[C@@H](C(N)=O)C(C)C)c2ccccc21	ZINC000097758830	36/26/15/463362615	VKIBZLGSWZHFJD-IUODEOHRSA-N	0	348.422	EE	2.414	0	Anodyne	ref	EEABRN	CCC[C@@H](F)Cn1nc(C(=O)N[C@@H](C(N)=O)C(C)C)c2ccccc21	in-vitro
CC[C@@H](N)CNc1ccnc(-c2cc(-c3cnn(C)c3)ccc2O)n1	ZINC000100285217	09/62/08/219096208	SCJXQZZYGYLKJG-CQSZACIVSA-N	1	338.415	EE	2.399	1	Anodyne	mid	EEAAMO	CC[C@@H]([NH3+])CNc1ccnc(-c2cc(-c3cnn(C)c3)ccc2O)n1	in-vitro
CC[C@@H](N)CNc1ccnc(-c2cc(-c3cnn(C)c3)ccc2O)n1	ZINC000100285217	09/62/05/219096205	SCJXQZZYGYLKJG-CQSZACIVSA-N	1	338.415	EE	2.399	0	Anodyne	ref	EEAARO	CC[C@@H]([NH3+])CNc1ccnc(-c2cc(-c3cnn(C)c3)ccc2[O-])n1	in-vitro
CC[C@@H](F)CCn1nc(C(=O)N[C@H](C(N)=O)C(C)C)c2ccccc21	ZINC000299817299	88/83/23/465888323	SNFDFYWXKBFWTO-DOMZBBRYSA-N	0	348.422	EE	2.414	0	Anodyne	ref	EEABRN	CC[C@@H](F)CCn1nc(C(=O)N[C@H](C(N)=O)C(C)C)c2ccccc21	in-vitro
CC[C@@H](F)CCn1nc(C(=O)N[C@@H](C(N)=O)C(C)C)c2ccccc21	ZINC000299817300	88/81/67/465888167	SNFDFYWXKBFWTO-IUODEOHRSA-N	0	348.422	EE	2.414	0	Anodyne	ref	EEABRN	CC[C@@H](F)CCn1nc(C(=O)N[C@@H](C(N)=O)C(C)C)c2ccccc21	in-vitro
CC[C@H](F)CCn1nc(C(=O)N[C@@H](C(N)=O)C(C)C)c2ccccc21	ZINC000299817301	88/82/68/465888268	SNFDFYWXKBFWTO-SWLSCSKDSA-N	0	348.422	EE	2.414	0	Anodyne	ref	EEABRN	CC[C@H](F)CCn1nc(C(=O)N[C@@H](C(N)=O)C(C)C)c2ccccc21	in-vitro
CC[C@H](F)CCn1nc(C(=O)N[C@H](C(N)=O)C(C)C)c2ccccc21	ZINC000299817302	88/76/99/465887699	SNFDFYWXKBFWTO-WFASDCNBSA-N	0	348.422	EE	2.414	0	Anodyne	ref	EEABRN	CC[C@H](F)CCn1nc(C(=O)N[C@H](C(N)=O)C(C)C)c2ccccc21	in-vitro