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
Cc1ccccc1N1CCN(CCc2nnc3n2CCCC3)CC1	ZINC000000001246	22/38/02/525223802	RFWZESUMWJKKRN-UHFFFAOYSA-N	0	325.46	EE	2.288	1	Anodyne	mid	EEAAMN	Cc1ccccc1N1CCN(CCc2nnc3n2CCCC3)CC1	world
Cc1ccccc1N1CCN(CCc2nnc3n2CCCC3)CC1	ZINC000000001246	22/37/83/525223783	RFWZESUMWJKKRN-UHFFFAOYSA-N	1	325.46	EE	2.288	0	Anodyne	ref	EEAARO	Cc1ccccc1N1CC[NH+](CCc2nnc3n2CCCC3)CC1	world
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
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
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
COc1ccc(C[C@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1	ZINC000000897256	57/43/56/462574356	BPZSYCZIITTYBL-DJJJIMSYSA-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	ZINC000000897256	57/43/44/462574344	BPZSYCZIITTYBL-DJJJIMSYSA-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
COc1ccc(C[C@@H](C)NC[C@@H](O)c2ccc(O)c(NC=O)c2)cc1	ZINC000000897258	13/75/21/295137521	BPZSYCZIITTYBL-BFUOFWGJSA-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	ZINC000000897258	13/75/15/295137515	BPZSYCZIITTYBL-BFUOFWGJSA-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
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
COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(O)c4[C@]2(CCN3C)CC1=O	ZINC000001280591	27/76/89/295277689	INYYVPJSBIVGPH-QHRIQVFBSA-N	0	329.396	EE	2.018	3	Mild	high	EEEAHN	COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(O)c4[C@]2(CCN3C)CC1=O	in-vitro biogenic
COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(O)c4[C@]2(CCN3C)CC1=O	ZINC000001280591	27/76/88/295277688	INYYVPJSBIVGPH-QHRIQVFBSA-N	1	329.396	EE	2.018	1	Mild	mid	EEEAMO	COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(O)c4[C@]2(CC[N@H+]3C)CC1=O	in-vitro biogenic
COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(O)c4[C@]2(CCN3C)CC1=O	ZINC000001280591	27/76/86/295277686	INYYVPJSBIVGPH-QHRIQVFBSA-N	1	329.396	EE	2.018	0	Mild	ref	EEEARO	COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(O)c4[C@]2(CC[N@@H+]3C)CC1=O	in-vitro biogenic
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
CCCN(CCC)C(=O)[C@@H](CCC(=O)O)NC(=O)c1ccccc1	ZINC000002033840	58/92/41/462589241	DGMKFQYCZXERLX-OAHLLOKOSA-N	-1	334.416	EE	2.298	0	Anodyne	ref	EEAARM	CCCN(CCC)C(=O)[C@@H](CCC(=O)[O-])NC(=O)c1ccccc1	in-man
CCCN(CCC)C(=O)[C@H](CCC(=O)O)NC(=O)c1ccccc1	ZINC000002033841	58/93/58/462589358	DGMKFQYCZXERLX-HNNXBMFYSA-N	-1	334.416	EE	2.298	0	Anodyne	ref	EEAARM	CCCN(CCC)C(=O)[C@H](CCC(=O)[O-])NC(=O)c1ccccc1	in-man
CC(C)(C)OC(=O)N[C@@H](CCC(=O)O)C(=O)OCc1ccccc1	ZINC000002539202	04/98/79/258049879	CVZUKWBYQQYBTF-ZDUSSCGKSA-N	-1	337.372	EE	2.488	0	Anodyne	ref	EEAARM	CC(C)(C)OC(=O)N[C@@H](CCC(=O)[O-])C(=O)OCc1ccccc1	 
COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1	ZINC000002599970	87/12/80/209871280	BPZSYCZIITTYBL-YJYMSZOUSA-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	ZINC000002599970	87/12/76/209871276	BPZSYCZIITTYBL-YJYMSZOUSA-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
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
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
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
COC(=O)C1=C(C)NC(C)=C(C(=O)O)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000019314834	01/46/00/212014600	JPXPPUOCSLMCHK-AWEZNQCLSA-N	-1	332.312	EE	2.087	0	Bother	ref	EEBARM	COC(=O)C1=C(C)NC(C)=C(C(=O)[O-])[C@@H]1c1cccc([N+](=O)[O-])c1	in-vitro
COC(=O)C1=C(C)NC(C)=C(C(=O)O)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000019314837	01/40/77/212014077	JPXPPUOCSLMCHK-CQSZACIVSA-N	-1	332.312	EE	2.087	0	Bother	ref	EEBARM	COC(=O)C1=C(C)NC(C)=C(C(=O)[O-])[C@H]1c1cccc([N+](=O)[O-])c1	in-vitro
COc1nc([Si](C)(C)C)cc(I)c1C=O	ZINC000195925813	41/76/87/568417687	NQKIFRSZGVLWSK-UHFFFAOYSA-N	0	335.217	EE	2.052	0	Anodyne	ref	EEABRN	COc1nc([Si](C)(C)C)cc(I)c1C=O