CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21	ZINC000000001894	34/99/43/523349943	FHFYDNQZQSQIAI-UHFFFAOYSA-N	0	333.363	ED	1.611	2	Anodyne	low	EDAALN	CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CC[NH+](C)CC3)cc21	world
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21	ZINC000000001894	34/99/21/523349921	FHFYDNQZQSQIAI-UHFFFAOYSA-N	-1	333.363	ED	1.611	0	Anodyne	ref	EDAARM	CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C)CC3)cc21	world
O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O	ZINC000000020220	79/36/86/440793686	MYSWGUAQZAJSOK-UHFFFAOYSA-N	-1	331.347	ED	1.583	3	Anodyne	high	EDAAHM	O=C([O-])c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O	fda
O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O	ZINC000000020220	79/36/74/440793674	MYSWGUAQZAJSOK-UHFFFAOYSA-N	0	331.347	ED	1.583	0	Anodyne	ref	EDAARN	O=C([O-])c1cn(C2CC2)c2cc(N3CC[NH2+]CC3)c(F)cc2c1=O	fda
CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@H]1c1ccccc1	ZINC000000028218	89/09/53/285890953	VDLSNXQRYWSHGB-RCJHGTSTSA-N	0	348.395	ED	1.853	0	Anodyne	ref	EDAARN	CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@H]1c1ccccc1	 
NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl	ZINC000000035804	79/39/57/440793957	ZZUFCTLCJUWOSV-UHFFFAOYSA-N	-1	330.749	ED	1.891	0	Anodyne	ref	EDAARM	NS(=O)(=O)c1cc(C(=O)[O-])c(NCc2ccco2)cc1Cl	fda
CC1(C)CC(NC(=O)c2ccc(-n3cnnn3)cc2)CC(C)(C)N1	ZINC000000036884	79/45/85/440794585	FTWJRTKHBAMAOL-UHFFFAOYSA-N	1	328.42	ED	1.701	0	Anodyne	ref	EDAARO	CC1(C)CC(NC(=O)c2ccc(-n3cnnn3)cc2)CC(C)(C)[NH2+]1	 
Cc1ccc(CN2CCCn3c2nc2c3c(=O)[nH]c(=O)n2C)cc1	ZINC000000044024	38/63/77/209386377	CJMWDQTUADELLW-UHFFFAOYSA-N	0	325.372	ED	1.142	0	Anodyne	ref	EDAARN	Cc1ccc(CN2CCCn3c2nc2c3c(=O)[nH]c(=O)n2C)cc1	 
Cc1ccc2nsnc2c1S(=O)(=O)N1CCC[C@H]1C(=O)O	ZINC000000045654	93/27/15/301932715	FLVYASFZHYHDKT-VIFPVBQESA-N	-1	327.387	ED	1.237	0	Anodyne	ref	EDAARM	Cc1ccc2nsnc2c1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	 
Cc1ccc2nsnc2c1S(=O)(=O)N1CCC[C@@H]1C(=O)O	ZINC000000045656	38/78/84/209387884	FLVYASFZHYHDKT-SECBINFHSA-N	-1	327.387	ED	1.237	0	Anodyne	ref	EDAARM	Cc1ccc2nsnc2c1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	 
Nc1nonc1-n1nnc(C(=O)N2CCCCC2)c1-c1ccccc1	ZINC000000051803	39/07/15/209390715	MTDIDDQOSSALOK-UHFFFAOYSA-N	0	339.359	ED	1.526	0	Anodyne	ref	EDAARN	Nc1nonc1-n1nnc(C(=O)N2CCCCC2)c1-c1ccccc1	 
Nc1nonc1-n1nnc(C(=O)N2CCCC2)c1-c1ccccc1	ZINC000000067546	42/85/53/201428553	WHGASVZQTJYVSG-UHFFFAOYSA-N	0	325.332	ED	1.135	0	Anodyne	ref	EDAARN	Nc1nonc1-n1nnc(C(=O)N2CCCC2)c1-c1ccccc1	 
CCOC(=O)C1=C(N)Oc2ccccc2[C@H]1[C@@H](C#N)C(=O)OCC	ZINC000000075891	79/59/82/440795982	WTICPMGJMIXVNO-YPMHNXCESA-N	0	330.34	ED	1.599	2	Mild	low	EDEALN	CCOC(=O)C1=C(N)Oc2ccccc2[C@H]1C(C#N)C(=O)OCC	 
CCOC(=O)C1=C(N)Oc2ccccc2[C@@H]1[C@@H](C#N)C(=O)OCC	ZINC000000075894	79/53/83/440795383	WTICPMGJMIXVNO-DGCLKSJQSA-N	0	330.34	ED	1.599	2	Mild	low	EDEALN	CCOC(=O)C1=C(N)Oc2ccccc2[C@@H]1C(C#N)C(=O)OCC	 
CCOC(=O)C1=C(N)Oc2ccccc2[C@H]1[C@H](C#N)C(=O)OCC	ZINC000000075897	40/29/96/209402996	WTICPMGJMIXVNO-AAEUAGOBSA-N	0	330.34	ED	1.599	2	Mild	low	EDEALN	CCOC(=O)C1=C(N)Oc2ccccc2[C@H]1C(C#N)C(=O)OCC	 
CCOC(=O)C1=C(N)Oc2ccccc2[C@@H]1[C@H](C#N)C(=O)OCC	ZINC000000075901	79/50/62/440795062	WTICPMGJMIXVNO-WCQYABFASA-N	0	330.34	ED	1.599	2	Mild	low	EDEALN	CCOC(=O)C1=C(N)Oc2ccccc2[C@@H]1C(C#N)C(=O)OCC	 
COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)O)cc1	ZINC000000090596	19/77/05/295197705	SSLDMNORZOIZGF-INIZCTEOSA-N	-1	347.392	ED	1.895	0	Anodyne	ref	EDAARM	COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])cc1	 
COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)O)cc1	ZINC000000090601	79/79/18/440797918	SSLDMNORZOIZGF-MRXNPFEDSA-N	-1	347.392	ED	1.895	0	Anodyne	ref	EDAARM	COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])cc1	 
CCOC(=O)c1nnn(-c2nonc2N)c1CNc1ccccc1	ZINC000000098271	79/91/71/440799171	UKCWKQLRNHELHF-UHFFFAOYSA-N	0	329.32	ED	1.021	0	Anodyne	ref	EDAARN	CCOC(=O)c1nnn(-c2nonc2N)c1CNc1ccccc1	 
O=C(O)[C@H]1CC(=O)N(c2ccc(I)cc2)C1	ZINC000000105495	79/93/93/440799393	DADZYTUNVAXREA-ZETCQYMHSA-N	-1	331.109	ED	1.729	0	Anodyne	ref	EDAARM	O=C([O-])[C@H]1CC(=O)N(c2ccc(I)cc2)C1	 
O=C(O)[C@@H]1CC(=O)N(c2ccc(I)cc2)C1	ZINC000000105497	79/86/86/440798686	DADZYTUNVAXREA-SSDOTTSWSA-N	-1	331.109	ED	1.729	0	Anodyne	ref	EDAARM	O=C([O-])[C@@H]1CC(=O)N(c2ccc(I)cc2)C1	 
O=C(O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)s1	ZINC000000105546	42/31/40/209423140	BPZROJBFWUPMAB-LURJTMIESA-N	-1	340.22	ED	1.748	0	Anodyne	ref	EDAARM	O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)s1	 
O=C(O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)s1	ZINC000000105551	18/80/17/304188017	BPZROJBFWUPMAB-ZCFIWIBFSA-N	-1	340.22	ED	1.748	0	Anodyne	ref	EDAARM	O=C([O-])[C@H]1CCCN1S(=O)(=O)c1ccc(Br)s1	 
Nc1cc(N)nc(SCc2ccc(C(=O)N3CCOCC3)cc2)n1	ZINC000000115798	80/09/83/440800983	LHLCNGUGZPNJLP-UHFFFAOYSA-N	0	345.428	ED	1.406	1	Anodyne	mid	EDABMN	Nc1cc(N)nc(SCc2ccc(C(=O)N3CCOCC3)cc2)n1	 
Nc1cc(N)nc(SCc2ccc(C(=O)N3CCOCC3)cc2)n1	ZINC000000115798	80/09/74/440800974	LHLCNGUGZPNJLP-UHFFFAOYSA-N	1	345.428	ED	1.406	0	Anodyne	ref	EDABRO	Nc1cc(N)[nH+]c(SCc2ccc(C(=O)N3CCOCC3)cc2)n1	 
Nc1nnc(SCc2ccc(C(=O)N3CCOCC3)cc2)s1	ZINC000000115818	80/06/79/440800679	ZVEQYLRZGVCBKJ-UHFFFAOYSA-N	0	336.442	ED	1.885	0	Anodyne	ref	EDABRN	Nc1nnc(SCc2ccc(C(=O)N3CCOCC3)cc2)s1	 
CCOC(=O)c1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1	ZINC000000120351	43/42/58/209434258	BWZWKASVSQRWHM-UHFFFAOYSA-N	0	330.749	ED	1.874	0	Anodyne	ref	EDAARN	CCOC(=O)c1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1	 
O=C(O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl	ZINC000000122628	80/00/97/440800097	WMSHTRGJCJVTQA-UHFFFAOYSA-N	-1	340.184	ED	1.713	0	Anodyne	ref	EDAARM	O=C([O-])c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl	 
O=C(O)CCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000000134130	80/21/95/440802195	TXKJRBUZNKEHNZ-UHFFFAOYSA-N	-1	340.401	ED	1.664	0	Anodyne	ref	EDAARM	O=C([O-])CCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	 
Nc1nc(Cn2c(=O)oc3ccccc32)nc(N2CCCCC2)n1	ZINC000000139970	64/53/23/135645323	OZJTUYMXBBALBS-UHFFFAOYSA-N	0	326.36	ED	1.4	0	Anodyne	ref	EDAARN	Nc1nc(Cn2c(=O)oc3ccccc32)nc(N2CCCCC2)n1	 
Cn1c(=O)c2c(nc(Br)n2Cc2ccccc2)n(C)c1=O	ZINC000000162410	80/38/41/440803841	ZFIXVNHJYVUKFY-UHFFFAOYSA-N	0	349.188	ED	1.244	0	Anodyne	ref	EDAARN	Cn1c(=O)c2c(nc(Br)n2Cc2ccccc2)n(C)c1=O	 
O=c1c(Cl)c(N2CCNCC2)cnn1-c1cccc(Cl)c1	ZINC000000167943	80/38/32/440803832	HRFUXANQSXGEEG-UHFFFAOYSA-N	0	325.199	ED	1.949	3	Anodyne	high	EDAAHN	O=c1c(Cl)c(N2CCNCC2)cnn1-c1cccc(Cl)c1	 
O=c1c(Cl)c(N2CCNCC2)cnn1-c1cccc(Cl)c1	ZINC000000167943	80/38/21/440803821	HRFUXANQSXGEEG-UHFFFAOYSA-N	1	325.199	ED	1.949	0	Anodyne	ref	EDAARO	O=c1c(Cl)c(N2CC[NH2+]CC2)cnn1-c1cccc(Cl)c1	 
O=C(O)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1	ZINC000000169243	80/32/31/440803231	VMVQMTHMVVRANM-UHFFFAOYSA-N	-1	348.218	ED	1.934	0	Anodyne	ref	EDAARM	O=C([O-])C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1	 
CCOC(=O)C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000000183004	95/55/61/485955561	XWOSUDTUEZKYSX-UHFFFAOYSA-N	0	342.373	ED	1.559	0	Bother	ref	EDBARN	CCOC(=O)C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	 
Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1	ZINC000000213235	80/67/87/440806787	IPQNENJJWDNXJO-UHFFFAOYSA-N	0	325.415	ED	1.413	0	Anodyne	ref	EDAARN	Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1	 
O=C(O)CCCC1OC(CCCC(=O)O)OC(CCCC(=O)O)O1	ZINC000000236564	04/59/46/304045946	JSIBAPWGMKZTGC-UHFFFAOYSA-N	-3	348.348	ED	1.793	0	Anodyne	ref	EDAARL	O=C([O-])CCCC1OC(CCCC(=O)[O-])OC(CCCC(=O)[O-])O1	 
O=C(O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1	ZINC000000253101	81/00/63/440810063	ORZCOQODYMJAIP-JTQLQIEISA-N	-1	334.191	ED	1.687	0	Anodyne	ref	EDAARM	O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1	 
O=C(O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1	ZINC000000253107	80/99/70/440809970	ORZCOQODYMJAIP-SNVBAGLBSA-N	-1	334.191	ED	1.687	0	Anodyne	ref	EDAARM	O=C([O-])[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1	 
O=C(c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000000268103	81/11/29/440811129	JHNBMXVLJXBHCM-UHFFFAOYSA-N	0	330.409	ED	1.833	0	Anodyne	ref	EDAARN	O=C(c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)CC1	 
COc1ccc(OC)c(S(=O)(=O)Nc2ccccc2C(N)=O)c1	ZINC000000270163	81/13/58/440811358	KFZFTRGGBJAAMW-UHFFFAOYSA-N	-1	336.369	ED	1.603	0	Anodyne	ref	EDAARM	COc1ccc(OC)c(S(=O)(=O)[N-]c2ccccc2C(N)=O)c1	 
CCOC(=O)c1nnn(-c2nonc2N)c1CN(C(C)C)C(C)C	ZINC000000333205	81/64/96/440816496	YZJORFMJJRHQHC-UHFFFAOYSA-N	1	337.384	ED	1.028	1	Anodyne	mid	EDAAMO	CCOC(=O)c1nnn(-c2nonc2N)c1C[NH+](C(C)C)C(C)C	 
CCOC(=O)c1nnn(-c2nonc2N)c1CN(C(C)C)C(C)C	ZINC000000333205	81/64/84/440816484	YZJORFMJJRHQHC-UHFFFAOYSA-N	0	337.384	ED	1.028	0	Anodyne	ref	EDAARN	CCOC(=O)c1nnn(-c2nonc2N)c1CN(C(C)C)C(C)C	 
CCOc1cc(C=O)cc(I)c1OCC(N)=O	ZINC000000370808	81/66/43/440816643	SRCIHEPKFXMMAI-UHFFFAOYSA-N	0	349.124	ED	1.367	0	Anodyne	ref	EDAARN	CCOc1cc(C=O)cc(I)c1OCC(N)=O	 
Cc1cn([C@H]2C=C[C@@H](COC(=O)c3ccccc3)O2)c(=O)[nH]c1=O	ZINC000000389024	81/92/05/440819205	BKZQWZPYZIYYAQ-UONOGXRCSA-N	0	328.324	ED	1.156	0	Anodyne	ref	EDAARN	Cc1cn([C@H]2C=C[C@@H](COC(=O)c3ccccc3)O2)c(=O)[nH]c1=O	 
O=C(ON1C(=O)CCC1=O)[C@@H]1CCCN1C(=O)OCc1ccccc1	ZINC000000392033	43/32/26/526433226	BDNYCEKWUBRCBJ-ZDUSSCGKSA-N	0	346.339	ED	1.395	0	Mild	ref	EDEARN	O=C(ON1C(=O)CCC1=O)[C@@H]1CCCN1C(=O)OCc1ccccc1	 
COc1ccc(N2CCCCn3c2nc2c3c(=O)[nH]c(=O)n2C)cc1	ZINC000000501000	90/88/96/277908896	ZTNIYCDRVPTXFP-UHFFFAOYSA-N	0	341.371	ED	1.364	0	Anodyne	ref	EDAARN	COc1ccc(N2CCCCn3c2nc2c3c(=O)[nH]c(=O)n2C)cc1	 
Cc1ccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)[nH]c(=O)n2C)cc1C	ZINC000000540449	88/28/04/280882804	VOUGOJOGDHGGMU-SNVBAGLBSA-N	0	339.399	ED	1.828	0	Anodyne	ref	EDAARN	Cc1ccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)[nH]c(=O)n2C)cc1C	 
Cc1ccc(N2C[C@H](C)Cn3c2nc2c3c(=O)[nH]c(=O)n2C)cc1C	ZINC000000540450	88/38/59/280883859	VOUGOJOGDHGGMU-JTQLQIEISA-N	0	339.399	ED	1.828	0	Anodyne	ref	EDAARN	Cc1ccc(N2C[C@H](C)Cn3c2nc2c3c(=O)[nH]c(=O)n2C)cc1C	 
COc1ccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)[nH]c(=O)n2C)cc1	ZINC000000540621	82/98/16/440829816	WLPHFAWNPAPAMW-SNVBAGLBSA-N	0	341.371	ED	1.22	0	Anodyne	ref	EDAARN	COc1ccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)[nH]c(=O)n2C)cc1	 
COc1ccc(N2C[C@H](C)Cn3c2nc2c3c(=O)[nH]c(=O)n2C)cc1	ZINC000000540622	90/95/31/277909531	WLPHFAWNPAPAMW-JTQLQIEISA-N	0	341.371	ED	1.22	0	Anodyne	ref	EDAARN	COc1ccc(N2C[C@H](C)Cn3c2nc2c3c(=O)[nH]c(=O)n2C)cc1	 
COC(=O)C[C@@H]1C(=O)N[C@H]2CCCC[C@H]2N1C(=O)c1ccccc1	ZINC000000542378	11/50/32/291115032	DZQVQYBGOTZLGS-RRFJBIMHSA-N	0	330.384	ED	1.501	0	Anodyne	ref	EDAARN	COC(=O)C[C@@H]1C(=O)N[C@H]2CCCC[C@H]2N1C(=O)c1ccccc1	 
COC(=O)C[C@H]1C(=O)NCCN1C(=O)Nc1ccc(Cl)cc1	ZINC000000545054	65/75/40/209657540	XUXBVIGLPFKZAL-NSHDSACASA-N	0	325.752	ED	1.235	0	Anodyne	ref	EDAARN	COC(=O)C[C@H]1C(=O)NCCN1C(=O)Nc1ccc(Cl)cc1	 
COC(=O)C[C@@H]1C(=O)NCCN1C(=O)Nc1ccc(Cl)cc1	ZINC000000545055	32/50/08/277325008	XUXBVIGLPFKZAL-LLVKDONJSA-N	0	325.752	ED	1.235	0	Anodyne	ref	EDAARN	COC(=O)C[C@@H]1C(=O)NCCN1C(=O)Nc1ccc(Cl)cc1	 
CN(C)c1ccc(CN2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)O)[C@H]4C2=O)cc1	ZINC000000813601	68/92/83/209689283	WBLRWQFVVHCCLM-LDDOYCOJSA-N	-1	328.368	ED	1.119	0	Clean	ref	EDCARM	CN(C)c1ccc(CN2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)[O-])[C@H]4C2=O)cc1	 
COc1ccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1OC	ZINC000000966836	83/62/57/440836257	YRODMNNSVWBMBR-IZZDOVSWSA-N	-1	339.394	ED	1.99	0	Clean	ref	EDCARM	COc1ccc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc1OC	 
O=C(O)CCN1C(=O)/C(=C2/C(=O)Nc3ccccc32)SC1=S	ZINC000000966847	05/23/12/304052312	UBVBLRHBLCKTGA-KHPPLWFESA-N	-1	334.378	ED	1.685	0	Clean	ref	EDCARM	O=C([O-])CCN1C(=O)/C(=C2/C(=O)Nc3ccccc32)SC1=S	 
COC(=O)c1ccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1	ZINC000000966889	83/58/51/440835851	ULZBFHOWBIGMEH-UXBLZVDNSA-N	-1	337.378	ED	1.759	0	Clean	ref	EDCARM	COC(=O)c1ccc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc1	 
CCOc1cc(C#N)cc(I)c1OCC(N)=O	ZINC000001002169	83/61/48/440836148	NQTHEZNBMMPBRI-UHFFFAOYSA-N	0	346.124	ED	1.426	0	Mild	ref	EDEARN	CCOc1cc(C#N)cc(I)c1OCC(N)=O	 
COC(=O)C1=C(C)N=C2SCC(=O)N2[C@@H]1c1ccc(O)c(OC)c1	ZINC000001007310	83/54/61/440835461	JNDGTZBMZLLHRG-CQSZACIVSA-N	0	348.38	ED	1.834	0	Anodyne	ref	EDAARN	COC(=O)C1=C(C)N=C2SCC(=O)N2[C@@H]1c1ccc(O)c(OC)c1	 
COC(=O)C1=C(C)N=C2SCC(=O)N2[C@H]1c1ccc(O)c(OC)c1	ZINC000001007311	83/60/15/440836015	JNDGTZBMZLLHRG-AWEZNQCLSA-N	0	348.38	ED	1.834	0	Anodyne	ref	EDAARN	COC(=O)C1=C(C)N=C2SCC(=O)N2[C@H]1c1ccc(O)c(OC)c1	 
COC(=O)C[C@H]1C(=O)N[C@@H]2CCCC[C@@H]2N1C(=O)c1ccccc1	ZINC000001110448	15/60/16/291156016	DZQVQYBGOTZLGS-ILXRZTDVSA-N	0	330.384	ED	1.501	0	Anodyne	ref	EDAARN	COC(=O)C[C@H]1C(=O)N[C@@H]2CCCC[C@@H]2N1C(=O)c1ccccc1	 
COc1ccc(/C=N/N=C2/NC(=O)[C@@H](CC(=O)O)S2)cc1OC	ZINC000001187427	84/03/77/440840377	WUCUGRIUQCWWMK-LBMJDHPKSA-N	-1	337.357	ED	1.1	1	Mild	mid	EDEAMM	COc1ccc(/C=N/N=C2/NC(=O)C(CC(=O)[O-])S2)cc1OC	 
COc1ccc(/C=N/N=C2/NC(=O)[C@@H](CC(=O)O)S2)cc1OC	ZINC000001187427	84/03/68/440840368	WUCUGRIUQCWWMK-LBMJDHPKSA-N	-1	337.357	ED	1.1	0	Mild	ref	EDEARM	COc1ccc(/C=N/N=C2/NC(=O)[C@@H](CC(=O)[O-])S2)cc1OC	 
CCN1C(=O)/C(=C2\SC(=S)N(CC(=O)O)C2=O)c2ccccc21	ZINC000001220951	84/07/14/440840714	AACAAUQRMCLPLB-QXMHVHEDSA-N	-1	348.405	ED	1.709	0	Clean	ref	EDCARM	CCN1C(=O)/C(=C2\SC(=S)N(CC(=O)[O-])C2=O)c2ccccc21	 
Cn1c(=O)c2c([nH]c(=S)n2CCCc2ccccc2)n(C)c1=O	ZINC000001240300	83/99/43/440839943	PLTCWTBIDCZDDZ-UHFFFAOYSA-N	0	330.413	ED	1.729	0	Anodyne	ref	EDAARN	Cn1c(=O)c2c([nH]c(=S)n2CCCc2ccccc2)n(C)c1=O	 
CCc1ccc(N2CCCn3c2nc2c3c(=O)[nH]c(=O)n2C)cc1	ZINC000001275028	84/08/45/440840845	QMGUESXUEKDXPD-UHFFFAOYSA-N	0	325.372	ED	1.527	0	Anodyne	ref	EDAARN	CCc1ccc(N2CCCn3c2nc2c3c(=O)[nH]c(=O)n2C)cc1	 
COc1ccc(CN2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)O)[C@H]4C2=O)c(OC)c1	ZINC000001301222	84/02/93/440840293	WNWZAJDOAPWELA-OYUZRVEBSA-N	-1	345.351	ED	1.07	0	Anodyne	ref	EDAARM	COc1ccc(CN2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)[O-])[C@H]4C2=O)c(OC)c1	 
COC(=O)Cn1cnc2ccc(I)cc2c1=O	ZINC000001425392	84/47/32/440844732	BJPAODWEKFKLMH-UHFFFAOYSA-N	0	344.108	ED	1.174	0	Anodyne	ref	EDAARN	COC(=O)Cn1cnc2ccc(I)cc2c1=O	 
COC(=O)c1cc(-c2ccc(C)cc2)c2c(=O)n(C)c(=O)n(C)c2n1	ZINC000001425653	84/35/65/440843565	CAESUYOTKGKWCS-UHFFFAOYSA-N	0	339.351	ED	1.394	0	Anodyne	ref	EDAARN	COC(=O)c1cc(-c2ccc(C)cc2)c2c(=O)n(C)c(=O)n(C)c2n1	 
COC(=O)c1cc(-c2ccc(F)cc2)c2c(=O)n(C)c(=O)n(C)c2n1	ZINC000001425657	41/83/85/277418385	MNDJNVMLYLQJHI-UHFFFAOYSA-N	0	343.314	ED	1.225	0	Anodyne	ref	EDAARN	COC(=O)c1cc(-c2ccc(F)cc2)c2c(=O)n(C)c(=O)n(C)c2n1	 
COc1ccc(CCNS(=O)(=O)c2ccccc2N)cc1OC	ZINC000001426280	84/35/82/440843582	HRJBEDLJTMNTLL-UHFFFAOYSA-N	0	336.413	ED	1.807	0	Anodyne	ref	EDAARN	COc1ccc(CCNS(=O)(=O)c2ccccc2N)cc1OC	 
CCOC(=O)C1CCN(c2nc3ccccn3c(=O)c2C=O)CC1	ZINC000001450080	84/58/55/440845855	ITXXAIYRPLBBGI-UHFFFAOYSA-N	0	329.356	ED	1.286	0	Anodyne	ref	EDAARN	CCOC(=O)C1CCN(c2nc3ccccn3c(=O)c2C=O)CC1	 
CCN(CC)CCNC(=O)c1cc(S(C)(=O)=O)ccc1OC	ZINC000001542927	75/83/31/209758331	JTVPZMFULRWINT-UHFFFAOYSA-N	0	328.434	ED	1.17	1	Anodyne	mid	EDAAMN	CCN(CC)CCNC(=O)c1cc(S(C)(=O)=O)ccc1OC	world
CCN(CC)CCNC(=O)c1cc(S(C)(=O)=O)ccc1OC	ZINC000001542927	75/83/25/209758325	JTVPZMFULRWINT-UHFFFAOYSA-N	1	328.434	ED	1.17	0	Anodyne	ref	EDAARO	CC[NH+](CC)CCNC(=O)c1cc(S(C)(=O)=O)ccc1OC	world
CC(C)(C)OC(=O)N[C@H](CCCCNC(=O)C(F)(F)F)C(=O)O	ZINC000001640316	84/95/59/440849559	DEIYNDIFGSDDCY-MRVPVSSYSA-N	-2	342.314	ED	1.813	1	Anodyne	mid	EDAAML	CC(C)(C)OC(=O)N[C@H](CCCC[N-]C(=O)C(F)(F)F)C(=O)[O-]	 
CC(C)(C)OC(=O)N[C@H](CCCCNC(=O)C(F)(F)F)C(=O)O	ZINC000001640316	84/95/47/440849547	DEIYNDIFGSDDCY-MRVPVSSYSA-N	-2	342.314	ED	1.813	0	Anodyne	ref	EDAARL	CC(C)(C)OC(=O)N[C@H](CCCCNC(=O)C(F)(F)F)C(=O)[O-]	 
Cc1sc2nc(SCCCC(=O)NCCO)nc(N)c2c1C	ZINC000001761155	85/18/28/440851828	GRWUUUUXKUXDGP-UHFFFAOYSA-N	0	340.474	ED	1.871	0	Anodyne	ref	EDAARN	Cc1sc2nc(SCCCC(=O)NCCO)nc(N)c2c1C	 
Nc1nc(SCC(=O)NCCO)nc2sc3c(c12)CCCC3	ZINC000001895671	80/39/11/209803911	PUSAIAKNQUSGOL-UHFFFAOYSA-N	0	338.458	ED	1.353	0	Anodyne	ref	EDAARN	Nc1nc(SCC(=O)NCCO)nc2sc3c(c12)CCCC3	 
CCCCCCn1c(Br)nc2c1c(=O)[nH]c(=O)n2C	ZINC000002027179	81/25/05/209812505	MJYKLJLQDSIZFD-UHFFFAOYSA-N	0	329.198	ED	1.766	0	Anodyne	ref	EDAARN	CCCCCCn1c(Br)nc2c1c(=O)[nH]c(=O)n2C	 
CC(C)(C)OC(=O)C(C)(C)O/N=C(\C(=O)O)c1csc(N)n1	ZINC000002149454	85/68/45/440856845	FNRZBOJFRDVEOG-PXNMLYILSA-N	-1	329.378	ED	1.651	0	Mild	ref	EDEARM	CC(C)(C)OC(=O)C(C)(C)O/N=C(\C(=O)[O-])c1csc(N)n1	in-vitro
O=C(O)CCCNS(=O)(=O)c1ccc(Br)s1	ZINC000002171060	04/94/90/258049490	HCNFPCOIVUHVEK-UHFFFAOYSA-N	-2	328.209	ED	1.654	3	Anodyne	high	EDAAHL	O=C([O-])CCC[N-]S(=O)(=O)c1ccc(Br)s1	 
O=C(O)CCCNS(=O)(=O)c1ccc(Br)s1	ZINC000002171060	04/94/89/258049489	HCNFPCOIVUHVEK-UHFFFAOYSA-N	-1	328.209	ED	1.654	0	Anodyne	ref	EDAARM	O=C([O-])CCCNS(=O)(=O)c1ccc(Br)s1	 
COc1cc(C2C(C#N)=C(N)SC(N)=C2C#N)cc(OC)c1OC	ZINC000002196999	90/96/73/264909673	BLTYMNUOXQGXAI-UHFFFAOYSA-N	0	344.396	ED	1.931	0	Reactive	ref	EDGARN	COc1cc(C2C(C#N)=C(N)SC(N)=C2C#N)cc(OC)c1OC	 
O=C(O)CCCCCNS(=O)(=O)c1cccc2nsnc12	ZINC000002208097	83/01/85/209830185	HMCHKCDZWRKSOA-UHFFFAOYSA-N	-1	329.403	ED	1.615	0	Anodyne	ref	EDAARM	O=C([O-])CCCCCNS(=O)(=O)c1cccc2nsnc12	 
CCOC(=O)N1CCN(c2nc3c(C)cccn3c(=O)c2C=O)CC1	ZINC000002224442	85/80/94/440858094	JVYZXMOXLMCYKS-UHFFFAOYSA-N	0	344.371	ED	1.094	0	Anodyne	ref	EDAARN	CCOC(=O)N1CCN(c2nc3c(C)cccn3c(=O)c2C=O)CC1	 
CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)C(F)(F)F)C(=O)O	ZINC000002384748	86/20/15/440862015	DEIYNDIFGSDDCY-QMMMGPOBSA-N	-2	342.314	ED	1.813	1	Anodyne	mid	EDAAML	CC(C)(C)OC(=O)N[C@@H](CCCC[N-]C(=O)C(F)(F)F)C(=O)[O-]	 
CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)C(F)(F)F)C(=O)O	ZINC000002384748	86/20/05/440862005	DEIYNDIFGSDDCY-QMMMGPOBSA-N	-1	342.314	ED	1.813	0	Anodyne	ref	EDAARM	CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)C(F)(F)F)C(=O)[O-]	 
O=C(OCc1ccccc1)[C@@H](O)[C@H](O)C(=O)OCc1ccccc1	ZINC000002386959	53/11/50/201531150	LCKIPSGLXMCAOF-HOTGVXAUSA-N	0	330.336	ED	1.195	0	Anodyne	ref	EDAARN	O=C(OCc1ccccc1)[C@@H](O)[C@H](O)C(=O)OCc1ccccc1	 
CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2C=O)CC1	ZINC000002434887	86/35/94/440863594	DOJNKUXQJHJYPS-UHFFFAOYSA-N	0	343.383	ED	1.595	0	Anodyne	ref	EDAARN	CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2C=O)CC1	 
NC1=NN(c2ccc(Oc3ccccc3)c(S(=O)(=O)O)c2)C(=O)C1	ZINC000002504695	53/39/71/201533971	ZZSAILZSWKPTCT-UHFFFAOYSA-N	-1	347.352	ED	1.735	0	Anodyne	ref	EDAARM	Nc1cc(=O)n(-c2ccc(Oc3ccccc3)c(S(=O)(=O)[O-])c2)[nH]1	 
O=C(N[C@@H](CO)C(=O)O)OCC1c2ccccc2-c2ccccc21	ZINC000002510145	86/44/70/440864470	JZTKZVJMSCONAK-INIZCTEOSA-N	-1	327.336	ED	1.971	0	Anodyne	ref	EDAARM	O=C(N[C@@H](CO)C(=O)[O-])OCC1c2ccccc2-c2ccccc21	 
CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2cn(CC)nc2C)C1	ZINC000002537680	04/98/03/258049803	GZLWIYSTODOJPY-LBPRGKRZSA-N	0	329.422	ED	1.175	0	Anodyne	ref	EDAARN	CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2cn(CC)nc2C)C1	 
CCS(=O)(=O)c1nc(-c2cn(C)nc2C)cc(C(F)(F)F)n1	ZINC000002538146	04/99/81/258049981	AZKCWGSVTNCGGJ-UHFFFAOYSA-N	0	334.323	ED	1.998	0	Anodyne	ref	EDAARN	CCS(=O)(=O)c1nc(-c2cn(C)nc2C)cc(C(F)(F)F)n1	 
CCS(=O)(=O)c1nc(-c2cnn(C)c2C)cc(C(F)(F)F)n1	ZINC000002538147	04/98/65/258049865	NBHWIVRLASKSKR-UHFFFAOYSA-N	0	334.323	ED	1.998	0	Anodyne	ref	EDAARN	CCS(=O)(=O)c1nc(-c2cnn(C)c2C)cc(C(F)(F)F)n1	 
CCn1ccc(-c2nnc(SCC(=O)O)n2C[C@H]2CCCO2)n1	ZINC000002538208	04/99/02/258049902	MNJRTOWCIXKMJN-SNVBAGLBSA-N	-1	337.405	ED	1.517	0	Anodyne	ref	EDAARM	CCn1ccc(-c2nnc(SCC(=O)[O-])n2C[C@H]2CCCO2)n1	 
COc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)O)[C@H]4C2=O)c(OC)c1	ZINC000002552562	53/50/36/201535036	BUSCMEVMRSMUDE-LRCAOYNASA-N	-1	331.324	ED	1.075	0	Anodyne	ref	EDAARM	COc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)[O-])[C@H]4C2=O)c(OC)c1	 
COC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)O)cc1	ZINC000002552655	53/56/08/201535608	QICIVSKLAVRQMB-GFCCVEGCSA-N	-1	342.373	ED	1.493	0	Anodyne	ref	EDAARM	COC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])cc1	 
COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)O)C2)cc1	ZINC000002552658	86/65/69/209866569	XKLPMOKUMXKRIL-JTQLQIEISA-N	-1	342.373	ED	1.35	0	Anodyne	ref	EDAARM	COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)cc1	 
COc1ccc(CN2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)O)[C@H]4C2=O)c(OC)c1	ZINC000002553858	86/50/96/440865096	WNWZAJDOAPWELA-LJGDNWOOSA-N	-1	345.351	ED	1.07	0	Anodyne	ref	EDAARM	COc1ccc(CN2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)[O-])[C@H]4C2=O)c(OC)c1