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
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
O=C(C[C@@]1(O)C(=O)Nc2ccccc21)c1ccc2c(c1)OCCO2	ZINC000000052263	79/57/55/440795755	XXUMSPRRHBNRSR-SFHVURJKSA-N	0	325.32	ED	1.87	0	Anodyne	ref	EDAARN	O=C(C[C@@]1(O)C(=O)Nc2ccccc21)c1ccc2c(c1)OCCO2	 
N[C@@H](Cc1cc(Br)c(O)c(Br)c1)C(=O)O	ZINC000000057299	39/30/53/209393053	COESHZUDRKCEPA-ZETCQYMHSA-N	0	338.983	ED	1.872	2	Anodyne	low	EDAALN	[NH3+][C@@H](Cc1cc(Br)c(O)c(Br)c1)C(=O)[O-]	in-man
N[C@@H](Cc1cc(Br)c(O)c(Br)c1)C(=O)O	ZINC000000057299	39/30/51/209393051	COESHZUDRKCEPA-ZETCQYMHSA-N	0	338.983	ED	1.872	0	Anodyne	ref	EDAARN	[NH3+][C@@H](Cc1cc(Br)c([O-])c(Br)c1)C(=O)[O-]	in-man
N[C@H](Cc1cc(Br)c(O)c(Br)c1)C(=O)O	ZINC000000057300	39/31/74/209393174	COESHZUDRKCEPA-SSDOTTSWSA-N	0	338.983	ED	1.872	0	Anodyne	ref	EDAARN	[NH3+][C@H](Cc1cc(Br)c([O-])c(Br)c1)C(=O)[O-]	in-vitro
N[C@H](Cc1cc(Br)c(O)c(Br)c1)C(=O)O	ZINC000000057300	39/31/76/209393176	COESHZUDRKCEPA-SSDOTTSWSA-N	0	338.983	ED	1.872	2	Anodyne	low	EDAALN	[NH3+][C@H](Cc1cc(Br)c(O)c(Br)c1)C(=O)[O-]	in-vitro
O=C(O)[C@@H](NS(=O)(=O)c1cccc2nsnc12)c1ccccc1	ZINC000000086070	79/67/03/440796703	DIKJBLCQBZUCRC-LBPRGKRZSA-N	-1	349.393	ED	1.796	0	Anodyne	ref	EDAARM	O=C([O-])[C@@H](NS(=O)(=O)c1cccc2nsnc12)c1ccccc1	 
O=C(O)[C@H](NS(=O)(=O)c1cccc2nsnc12)c1ccccc1	ZINC000000086072	79/70/96/440797096	DIKJBLCQBZUCRC-GFCCVEGCSA-N	-1	349.393	ED	1.796	0	Anodyne	ref	EDAARM	O=C([O-])[C@H](NS(=O)(=O)c1cccc2nsnc12)c1ccccc1	 
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	 
COC(=O)[C@H](Cc1ccc(O)c(OC)c1)NC(=O)c1ccccc1	ZINC000000122421	80/08/15/440800815	BHQKUUBRJPSPKC-AWEZNQCLSA-N	0	329.352	ED	1.915	0	Anodyne	ref	EDAARN	COC(=O)[C@H](Cc1ccc(O)c(OC)c1)NC(=O)c1ccccc1	 
COC(=O)[C@@H](Cc1ccc(O)c(OC)c1)NC(=O)c1ccccc1	ZINC000000122425	80/09/05/440800905	BHQKUUBRJPSPKC-CQSZACIVSA-N	0	329.352	ED	1.915	0	Anodyne	ref	EDAARN	COC(=O)[C@@H](Cc1ccc(O)c(OC)c1)NC(=O)c1ccccc1	 
O=C(O)CCCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000000147561	80/23/61/440802361	JDVOPBJMLWWIRN-UHFFFAOYSA-N	0	334.372	ED	1.314	2	Anodyne	low	EDAALN	O=C([O-])CCCC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1	 
O=C(O)CCCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000000147561	80/23/49/440802349	JDVOPBJMLWWIRN-UHFFFAOYSA-N	-1	334.372	ED	1.314	0	Anodyne	ref	EDAARM	O=C([O-])CCCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1	 
COc1ccc(S(=O)(=O)N[C@@H](CC(=O)O)c2ccco2)cc1	ZINC000000216278	48/96/93/209489693	MVCWLUONTCAJRL-LBPRGKRZSA-N	-1	325.342	ED	1.782	0	Anodyne	ref	EDAARM	COc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])c2ccco2)cc1	 
COc1ccc(S(=O)(=O)N[C@H](CC(=O)O)c2ccco2)cc1	ZINC000000216280	44/87/96/201448796	MVCWLUONTCAJRL-GFCCVEGCSA-N	-1	325.342	ED	1.782	0	Anodyne	ref	EDAARM	COc1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])c2ccco2)cc1	 
Cc1ccc(S(=O)(=O)N2CCC(C(=O)O)CC2)c2nsnc12	ZINC000000224930	80/96/22/440809622	QCMQUASFJQXFDL-UHFFFAOYSA-N	-1	341.414	ED	1.485	0	Anodyne	ref	EDAARM	Cc1ccc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)c2nsnc12	 
COc1cc([C@@H]2CC(=O)c3cnc(N)nc3C2)cc(OC)c1OC	ZINC000000257715	81/09/69/440810969	ZLYAMGJUYQSAMU-VIFPVBQESA-N	0	329.356	ED	1.997	0	Anodyne	ref	EDAARN	COc1cc([C@@H]2CC(=O)c3cnc(N)nc3C2)cc(OC)c1OC	 
COc1cc([C@H]2CC(=O)c3cnc(N)nc3C2)cc(OC)c1OC	ZINC000000257720	38/81/00/277388100	ZLYAMGJUYQSAMU-SECBINFHSA-N	0	329.356	ED	1.997	0	Anodyne	ref	EDAARN	COc1cc([C@H]2CC(=O)c3cnc(N)nc3C2)cc(OC)c1OC	 
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(C(=O)O)CC2)cc1	ZINC000000287764	81/23/00/440812300	ZIGSKXXFCYUAMO-UHFFFAOYSA-N	-1	326.374	ED	1.13	0	Anodyne	ref	EDAARM	CC(=O)Nc1ccc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)cc1	 
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCC(C(=O)O)CC1	ZINC000000546776	83/00/40/440830040	RDAQBVAZAMAEFV-LBPRGKRZSA-N	-1	326.393	ED	1.709	0	Anodyne	ref	EDAARM	CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCC(C(=O)[O-])CC1	 
O=C(O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1	ZINC000000555122	83/15/09/440831509	ADFPMRGHMHJFMZ-UHFFFAOYSA-N	-1	349.364	ED	1.738	0	Anodyne	ref	EDAARM	O=C([O-])CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1	 
COC(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O	ZINC000000582477	83/12/35/440831235	SORXHNXDMLYVJF-UHFFFAOYSA-N	0	336.207	ED	1.697	0	Anodyne	ref	EDAARN	COC(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O	 
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)O	ZINC000001576107	84/87/57/440848757	CWMXJBNCYBDNTJ-JSGCOSHPSA-N	-1	336.388	ED	1.917	0	Anodyne	ref	EDAARM	CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)[O-]	 
Nc1c(Br)cc(S(N)(=O)=O)cc1Br	ZINC000002146706	34/43/65/295344365	DLXJPWSYRLLYSV-UHFFFAOYSA-N	0	330.001	ED	1.441	0	Anodyne	ref	EDAARN	Nc1c(Br)cc(S(N)(=O)=O)cc1Br	in-vivo
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=S(=O)(O)c1ccc2c(c1)Cc1cc(S(=O)(=O)O)ccc1-2	ZINC000002507827	86/45/98/440864598	WBJRJWHBYUAEQD-UHFFFAOYSA-N	-2	326.351	ED	1.751	0	Anodyne	ref	EDAARL	O=S(=O)([O-])c1ccc2c(c1)Cc1cc(S(=O)(=O)[O-])ccc1-2	 
O=C(O)C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1	ZINC000002590682	53/59/09/201535909	NNOFFXJMRVMQBP-UHFFFAOYSA-N	-1	327.387	ED	1.177	0	Anodyne	ref	EDAARM	O=C([O-])C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1	 
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CC#N)cc2)nc(C)n1	ZINC000002736520	87/32/38/440873238	YPVZHNQNYHHUSY-UHFFFAOYSA-N	0	345.384	ED	1.746	2	Mild	low	EDEALN	Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CC#N)cc2)nc(C)n1	 
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CC#N)cc2)nc(C)n1	ZINC000002736520	87/32/24/440873224	YPVZHNQNYHHUSY-UHFFFAOYSA-N	-1	345.384	ED	1.746	0	Mild	ref	EDEARM	Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)CC#N)cc2)nc(C)n1	 
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CC#N)cc2)n1	ZINC000002748784	87/38/45/440873845	SVNNOIOVSCNOFU-UHFFFAOYSA-N	0	331.357	ED	1.438	1	Mild	mid	EDEAMN	Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CC#N)cc2)n1	 
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CC#N)cc2)n1	ZINC000002748784	87/38/35/440873835	SVNNOIOVSCNOFU-UHFFFAOYSA-N	-1	331.357	ED	1.438	0	Mild	ref	EDEARM	Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)CC#N)cc2)n1	 
Cc1noc(NS(=O)(=O)c2ccc(NC(=O)CC#N)cc2)c1C	ZINC000002773043	87/55/87/440875587	OJRYIUWXXBRFTC-UHFFFAOYSA-N	-1	334.357	ED	1.944	0	Mild	ref	EDEARM	Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)CC#N)cc2)c1C	 
Nc1nnc(SCCN2C(=O)c3ccccc3S2(=O)=O)s1	ZINC000002867172	88/14/42/440881442	RRAQYQKAKRAPDM-UHFFFAOYSA-N	0	342.427	ED	1.057	0	Anodyne	ref	EDAARN	Nc1nnc(SCCN2C(=O)c3ccccc3S2(=O)=O)s1	 
O=C(O)[C@H]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O	ZINC000002944673	88/44/09/440884409	BNZGFUBHIKEAGN-QPSCCSFWSA-N	-1	344.411	ED	1.685	0	Anodyne	ref	EDAARM	O=C([O-])[C@H]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O	 
Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)O)c12	ZINC000003356936	01/70/23/210017023	GENJQCQDMUDBOT-SNVBAGLBSA-N	-1	335.385	ED	1.675	0	Anodyne	ref	EDAARM	Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)[O-])c12	 
N#Cc1ccccc1OCC(=O)N1CCN(C(=O)c2ccco2)CC1	ZINC000003445449	04/20/67/210042067	KXXFVYNEQORFJM-UHFFFAOYSA-N	0	339.351	ED	1.515	0	Mild	ref	EDEARN	N#Cc1ccccc1OCC(=O)N1CCN(C(=O)c2ccco2)CC1	 
CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1	ZINC000003457872	04/50/10/210045010	XNCZUJCDBHKBLN-NSHDSACASA-N	-1	340.401	ED	1.155	0	Anodyne	ref	EDAARM	CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1	 
CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1	ZINC000003457874	89/98/43/440899843	XNCZUJCDBHKBLN-LLVKDONJSA-N	-1	340.401	ED	1.155	0	Anodyne	ref	EDAARM	CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1	 
O=C(C[C@]1(O)C(=O)Nc2ccccc21)c1ccc2c(c1)OCCO2	ZINC000003852735	90/67/25/440906725	XXUMSPRRHBNRSR-GOSISDBHSA-N	0	325.32	ED	1.87	0	Anodyne	ref	EDAARN	O=C(C[C@]1(O)C(=O)Nc2ccccc21)c1ccc2c(c1)OCCO2	 
Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)O)c12	ZINC000004205061	14/52/37/210145237	GENJQCQDMUDBOT-JTQLQIEISA-N	-1	335.385	ED	1.675	0	Anodyne	ref	EDAARM	Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)[O-])c12	 
CCOC(=O)C1=C(N)Oc2[nH]nc(C)c2[C@@H]1c1ccc(OC)cc1	ZINC000004237603	14/83/48/210148348	LHMYJBUEMRJYKU-ZDUSSCGKSA-N	0	329.356	ED	1.984	0	Anodyne	ref	EDAARN	CCOC(=O)C1=C(N)Oc2n[nH]c(C)c2[C@@H]1c1ccc(OC)cc1	 
CCOC(=O)C1=C(N)Oc2[nH]nc(C)c2[C@H]1c1ccc(OC)cc1	ZINC000004237604	14/87/33/210148733	LHMYJBUEMRJYKU-CYBMUJFWSA-N	0	329.356	ED	1.984	0	Anodyne	ref	EDAARN	CCOC(=O)C1=C(N)Oc2n[nH]c(C)c2[C@H]1c1ccc(OC)cc1	 
Nc1cccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3)CC2)c1	ZINC000004622987	23/43/71/210234371	PMVVUXONAJAJGJ-UHFFFAOYSA-N	0	345.424	ED	1.415	0	Anodyne	ref	EDAARN	Nc1cccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3)CC2)c1	 
CC(=O)Nc1ccc(S(=O)(=O)N[C@H](CC(=O)O)C(C)C)cc1	ZINC000004668556	60/93/46/201609346	CKLUUQAWEMUVLF-CYBMUJFWSA-N	-1	328.39	ED	1.423	0	Anodyne	ref	EDAARM	CC(=O)Nc1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)cc1	 
CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CC(=O)O)C(C)C)cc1	ZINC000004668558	24/14/77/210241477	CKLUUQAWEMUVLF-ZDUSSCGKSA-N	-1	328.39	ED	1.423	0	Anodyne	ref	EDAARM	CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)cc1	 
O=C(O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	ZINC000004851577	30/01/39/210300139	LWAFTNVIURUPIL-UHFFFAOYSA-N	-1	336.325	ED	1.875	0	Bother	ref	EDBARM	O=C([O-])CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	 
COc1ccccc1N1CCN(S(=O)(=O)c2ccc(N)cc2)CC1	ZINC000004943322	66/81/21/135668121	ZQFGWAHRMWVHAQ-UHFFFAOYSA-N	0	347.44	ED	1.788	0	Anodyne	ref	EDAARN	COc1ccccc1N1CCN(S(=O)(=O)c2ccc(N)cc2)CC1	 
O=C(O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	ZINC000005103028	39/01/11/210390111	ALETTZCGJDGEAG-UHFFFAOYSA-N	-1	336.325	ED	1.875	0	Bother	ref	EDBARM	O=C([O-])CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	 
O=C(O)[C@H]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O	ZINC000005179684	18/14/01/304181401	BNZGFUBHIKEAGN-BARDWOONSA-N	-1	344.411	ED	1.685	0	Anodyne	ref	EDAARM	O=C([O-])[C@H]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O	 
COC(=O)c1ccc(NC(=O)COC(=O)c2ccc(N)cc2)cc1	ZINC000006121317	98/15/83/440981583	HEQMJPXIKYLJPE-UHFFFAOYSA-N	0	328.324	ED	1.851	0	Anodyne	ref	EDAARN	COC(=O)c1ccc(NC(=O)COC(=O)c2ccc(N)cc2)cc1	 
COc1ccc(S(=O)(=O)N2C[C@H](C(=O)O)Oc3ccccc32)cc1	ZINC000006244695	67/39/57/135673957	ACAPZECJCFKXPX-OAHLLOKOSA-N	-1	349.364	ED	1.736	0	Anodyne	ref	EDAARM	COc1ccc(S(=O)(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)cc1	 
COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)O)Oc3ccccc32)cc1	ZINC000006244696	49/65/54/485496554	ACAPZECJCFKXPX-HNNXBMFYSA-N	-1	349.364	ED	1.736	0	Anodyne	ref	EDAARM	COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)cc1	 
COc1ccc(N2CCN(/C(N)=N/c3nc(C)cc(C)n3)CC2)cc1	ZINC000006275800	98/55/76/440985576	IVICWFHCELNJGY-UHFFFAOYSA-N	0	340.431	ED	1.87	1	Mild	mid	EDEAMN	COc1ccc(N2CCN(C(=N)Nc3nc(C)cc(C)n3)CC2)cc1	 
COc1ccc(N2CCN(/C(N)=N/c3nc(C)cc(C)n3)CC2)cc1	ZINC000006275800	98/55/65/440985565	IVICWFHCELNJGY-UHFFFAOYSA-N	1	340.431	ED	1.87	0	Mild	ref	EDEARO	COc1ccc(N2CCN(C(=[NH2+])Nc3nc(C)cc(C)n3)CC2)cc1	 
Cn1c(=O)n(C)c2cc(C(=O)Cn3c(=O)oc4ccccc43)ccc21	ZINC000006669925	67/50/76/210675076	JCOUNEAIAILSBR-UHFFFAOYSA-N	0	337.335	ED	1.668	0	Anodyne	ref	EDAARN	Cn1c(=O)n(C)c2cc(C(=O)Cn3c(=O)oc4ccccc43)ccc21	 
Cc1cc(C)cc(N(CC(=O)O)S(=O)(=O)c2c(C)n[nH]c2C)c1	ZINC000006948319	02/69/59/441026959	SIAOFIAFIQUTBX-UHFFFAOYSA-N	-1	337.401	ED	1.923	0	Anodyne	ref	EDAARM	Cc1cc(C)cc(N(CC(=O)[O-])S(=O)(=O)c2c(C)n[nH]c2C)c1	 
COc1ccc(S(=O)(=O)Nc2nc(CC(=O)O)cs2)cc1	ZINC000008733390	09/95/21/441099521	ONNNPCGCFUVJDJ-UHFFFAOYSA-N	-1	328.371	ED	1.58	1	Anodyne	mid	EDAAMM	COc1ccc(S(=O)(=O)Nc2nc(CC(=O)[O-])cs2)cc1	 
COc1ccc(S(=O)(=O)Nc2nc(CC(=O)O)cs2)cc1	ZINC000008733390	09/95/17/441099517	ONNNPCGCFUVJDJ-UHFFFAOYSA-N	-2	328.371	ED	1.58	0	Anodyne	ref	EDAARL	COc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)[O-])cs2)cc1	 
CC(=O)N1CCC2(CC1)CC(=O)c1ccc(OCC(=O)O)cc1O2	ZINC000008764778	98/42/97/277984297	XKRPWUYLQYOWEL-UHFFFAOYSA-N	-1	333.34	ED	1.496	0	Anodyne	ref	EDAARM	CC(=O)N1CCC2(CC1)CC(=O)c1ccc(OCC(=O)[O-])cc1O2	 
O=C(O)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1	ZINC000012388979	84/39/21/201843921	NVQOILBUNBCKGP-LBPRGKRZSA-N	-1	334.347	ED	1.502	0	Anodyne	ref	EDAARM	O=C([O-])C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1	 
O=C(O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1	ZINC000012388980	36/46/36/211364636	NVQOILBUNBCKGP-GFCCVEGCSA-N	-1	334.347	ED	1.502	0	Anodyne	ref	EDAARM	O=C([O-])C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1	 
Cc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)O)CC3)CC2=O)cc1	ZINC000012390071	36/66/65/211366665	BWLSAMFBQBFIIS-AWEZNQCLSA-N	-1	330.384	ED	1.671	0	Anodyne	ref	EDAARM	Cc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)[O-])CC3)CC2=O)cc1	 
Cc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)O)CC3)CC2=O)cc1	ZINC000012390072	36/62/46/211366246	BWLSAMFBQBFIIS-CQSZACIVSA-N	-1	330.384	ED	1.671	0	Anodyne	ref	EDAARM	Cc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)[O-])CC3)CC2=O)cc1	 
C/C(=C\C(C)=C(/C#N)C(=O)O)NCN1C(=O)c2ccccc2C1=O	ZINC000015108629	24/37/18/264243718	SHXODJATFBMBOT-MYUCQOFCSA-N	0	325.324	ED	1.658	2	Reactive	low	EDGALN	C/C(=C\C(C)=C(/C#N)C(=O)[O-])[NH2+]CN1C(=O)c2ccccc2C1=O	 
C/C(=C\C(C)=C(/C#N)C(=O)O)NCN1C(=O)c2ccccc2C1=O	ZINC000015108629	24/37/13/264243713	SHXODJATFBMBOT-MYUCQOFCSA-N	0	325.324	ED	1.658	0	Reactive	ref	EDGARN	C/C(=C\C(C)=C(/C#N)C(=O)[O-])NCN1C(=O)c2ccccc2C1=O	 
Nc1cc(S(=O)(=O)N2CCCC2)ccc1NCCCC(=O)O	ZINC000015775160	21/01/56/441210156	QHSWGLRUKKBDJD-UHFFFAOYSA-N	-1	327.406	ED	1.33	0	Anodyne	ref	EDAARM	Nc1cc(S(=O)(=O)N2CCCC2)ccc1NCCCC(=O)[O-]	 
COC(=O)c1sc(Cl)cc1S(=O)(=O)N1CCOCC1	ZINC000016189895	21/75/73/441217573	CPTHCUKGEGPZEP-UHFFFAOYSA-N	0	325.795	ED	1.209	0	Anodyne	ref	EDAARN	COC(=O)c1sc(Cl)cc1S(=O)(=O)N1CCOCC1	 
Cc1ccc(NC(=O)C(=O)NCCSc2nnc(N)s2)cc1	ZINC000017087054	23/66/92/441236692	ZAXNHCYZMLGLGH-UHFFFAOYSA-N	0	337.43	ED	1.276	0	Anodyne	ref	EDAARN	Cc1ccc(NC(=O)C(=O)NCCSc2nnc(N)s2)cc1	 
COc1ccc([C@@H]2N[C@@H](C(=O)O)CS2)cc1CN1CCOCC1	ZINC000019832336	07/29/56/212072956	NEDLGKFYBOEPHI-UKRRQHHQSA-N	0	338.429	ED	1.316	2	Anodyne	low	EDAALN	COc1ccc([C@@H]2[NH2+][C@@H](C(=O)[O-])CS2)cc1CN1CCOCC1	 
COc1ccc([C@@H]2N[C@@H](C(=O)O)CS2)cc1CN1CCOCC1	ZINC000019832336	07/29/55/212072955	NEDLGKFYBOEPHI-UKRRQHHQSA-N	-1	338.429	ED	1.316	0	Anodyne	ref	EDAARM	COc1ccc([C@@H]2N[C@@H](C(=O)[O-])CS2)cc1CN1CCOCC1	 
COc1ccc([C@H]2N[C@@H](C(=O)O)CS2)cc1CN1CCOCC1	ZINC000019832338	07/26/09/212072609	NEDLGKFYBOEPHI-HIFRSBDPSA-N	0	338.429	ED	1.316	2	Anodyne	low	EDAALN	COc1ccc([C@H]2[NH2+][C@@H](C(=O)[O-])CS2)cc1CN1CCOCC1	 
COc1ccc([C@H]2N[C@@H](C(=O)O)CS2)cc1CN1CCOCC1	ZINC000019832338	07/26/07/212072607	NEDLGKFYBOEPHI-HIFRSBDPSA-N	-1	338.429	ED	1.316	0	Anodyne	ref	EDAARM	COc1ccc([C@H]2N[C@@H](C(=O)[O-])CS2)cc1CN1CCOCC1	 
COc1ccc([C@@H]2N[C@H](C(=O)O)CS2)cc1CN1CCOCC1	ZINC000019832340	02/19/11/202021911	NEDLGKFYBOEPHI-DZGCQCFKSA-N	0	338.429	ED	1.316	2	Anodyne	low	EDAALN	COc1ccc([C@@H]2[NH2+][C@H](C(=O)[O-])CS2)cc1CN1CCOCC1	 
COc1ccc([C@@H]2N[C@H](C(=O)O)CS2)cc1CN1CCOCC1	ZINC000019832340	02/19/08/202021908	NEDLGKFYBOEPHI-DZGCQCFKSA-N	-1	338.429	ED	1.316	0	Anodyne	ref	EDAARM	COc1ccc([C@@H]2N[C@H](C(=O)[O-])CS2)cc1CN1CCOCC1	 
COc1ccc([C@H]2N[C@H](C(=O)O)CS2)cc1CN1CCOCC1	ZINC000019832341	02/19/63/202021963	NEDLGKFYBOEPHI-ZFWWWQNUSA-N	0	338.429	ED	1.316	2	Anodyne	low	EDAALN	COc1ccc([C@H]2[NH2+][C@H](C(=O)[O-])CS2)cc1CN1CCOCC1	 
COc1ccc([C@H]2N[C@H](C(=O)O)CS2)cc1CN1CCOCC1	ZINC000019832341	02/19/59/202021959	NEDLGKFYBOEPHI-ZFWWWQNUSA-N	-1	338.429	ED	1.316	0	Anodyne	ref	EDAARM	COc1ccc([C@H]2N[C@H](C(=O)[O-])CS2)cc1CN1CCOCC1	 
COC(=O)[C@@H]1Cc2nc[nH]c2[C@@H](c2ccc(OC)c(OC)c2OC)N1	ZINC000020112670	19/82/69/284198269	ATQORWOXDFORGB-WCQYABFASA-N	1	347.371	ED	1.212	2	Anodyne	low	EDAALO	COC(=O)[C@@H]1Cc2[nH]c[nH+]c2[C@@H](c2ccc(OC)c(OC)c2OC)N1	 
COC(=O)[C@@H]1Cc2nc[nH]c2[C@@H](c2ccc(OC)c(OC)c2OC)N1	ZINC000020112670	19/82/68/284198268	ATQORWOXDFORGB-WCQYABFASA-N	0	347.371	ED	1.212	1	Anodyne	mid	EDAAMN	COC(=O)[C@@H]1Cc2nc[nH]c2[C@@H](c2ccc(OC)c(OC)c2OC)N1	 
COC(=O)[C@@H]1Cc2nc[nH]c2[C@@H](c2ccc(OC)c(OC)c2OC)N1	ZINC000020112670	19/82/67/284198267	ATQORWOXDFORGB-WCQYABFASA-N	0	347.371	ED	1.212	0	Anodyne	ref	EDAARN	COC(=O)[C@@H]1Cc2[nH]cnc2[C@@H](c2ccc(OC)c(OC)c2OC)N1	 
COC(=O)[C@H]1Cc2nc[nH]c2[C@@H](c2ccc(OC)c(OC)c2OC)N1	ZINC000020112672	10/28/21/212102821	ATQORWOXDFORGB-DGCLKSJQSA-N	1	347.371	ED	1.212	2	Anodyne	low	EDAALO	COC(=O)[C@H]1Cc2[nH]c[nH+]c2[C@@H](c2ccc(OC)c(OC)c2OC)N1	 
COC(=O)[C@H]1Cc2nc[nH]c2[C@@H](c2ccc(OC)c(OC)c2OC)N1	ZINC000020112672	10/28/20/212102820	ATQORWOXDFORGB-DGCLKSJQSA-N	0	347.371	ED	1.212	1	Anodyne	mid	EDAAMN	COC(=O)[C@H]1Cc2nc[nH]c2[C@@H](c2ccc(OC)c(OC)c2OC)N1	 
COC(=O)[C@H]1Cc2nc[nH]c2[C@@H](c2ccc(OC)c(OC)c2OC)N1	ZINC000020112672	10/28/17/212102817	ATQORWOXDFORGB-DGCLKSJQSA-N	0	347.371	ED	1.212	0	Anodyne	ref	EDAARN	COC(=O)[C@H]1Cc2[nH]cnc2[C@@H](c2ccc(OC)c(OC)c2OC)N1	 
COC(=O)[C@@H]1Cc2nc[nH]c2[C@H](c2ccc(OC)c(OC)c2OC)N1	ZINC000020112674	03/31/10/202033110	ATQORWOXDFORGB-AAEUAGOBSA-N	1	347.371	ED	1.212	2	Anodyne	low	EDAALO	COC(=O)[C@@H]1Cc2[nH]c[nH+]c2[C@H](c2ccc(OC)c(OC)c2OC)N1	 
COC(=O)[C@@H]1Cc2nc[nH]c2[C@H](c2ccc(OC)c(OC)c2OC)N1	ZINC000020112674	03/31/08/202033108	ATQORWOXDFORGB-AAEUAGOBSA-N	0	347.371	ED	1.212	1	Anodyne	mid	EDAAMN	COC(=O)[C@@H]1Cc2nc[nH]c2[C@H](c2ccc(OC)c(OC)c2OC)N1	 
COC(=O)[C@@H]1Cc2nc[nH]c2[C@H](c2ccc(OC)c(OC)c2OC)N1	ZINC000020112674	03/31/04/202033104	ATQORWOXDFORGB-AAEUAGOBSA-N	0	347.371	ED	1.212	0	Anodyne	ref	EDAARN	COC(=O)[C@@H]1Cc2[nH]cnc2[C@H](c2ccc(OC)c(OC)c2OC)N1	 
COC(=O)[C@H]1Cc2nc[nH]c2[C@H](c2ccc(OC)c(OC)c2OC)N1	ZINC000020112676	10/26/94/212102694	ATQORWOXDFORGB-YPMHNXCESA-N	1	347.371	ED	1.212	2	Anodyne	low	EDAALO	COC(=O)[C@H]1Cc2[nH]c[nH+]c2[C@H](c2ccc(OC)c(OC)c2OC)N1	 
COC(=O)[C@H]1Cc2nc[nH]c2[C@H](c2ccc(OC)c(OC)c2OC)N1	ZINC000020112676	10/26/92/212102692	ATQORWOXDFORGB-YPMHNXCESA-N	0	347.371	ED	1.212	1	Anodyne	mid	EDAAMN	COC(=O)[C@H]1Cc2nc[nH]c2[C@H](c2ccc(OC)c(OC)c2OC)N1	 
COC(=O)[C@H]1Cc2nc[nH]c2[C@H](c2ccc(OC)c(OC)c2OC)N1	ZINC000020112676	10/26/88/212102688	ATQORWOXDFORGB-YPMHNXCESA-N	0	347.371	ED	1.212	0	Anodyne	ref	EDAARN	COC(=O)[C@H]1Cc2[nH]cnc2[C@H](c2ccc(OC)c(OC)c2OC)N1	 
COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)C(=O)O	ZINC000020199443	11/11/74/212111174	JIFKNXTVIMDMJX-UHFFFAOYSA-N	-1	344.323	ED	1.979	0	Anodyne	ref	EDAARM	COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)C(=O)[O-]	 
Nc1nnc(CCNC(=O)c2cccc(Br)c2)s1	ZINC000020201407	11/10/43/212111043	GKUWPXFDYSIXOR-UHFFFAOYSA-N	0	327.207	ED	1.855	0	Anodyne	ref	EDAARN	Nc1nnc(CCNC(=O)c2cccc(Br)c2)s1	 
CC(C)(C)NS(=O)(=O)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1	ZINC000020204080	26/33/12/441263312	NDGGVNFDLVXYJO-JTQLQIEISA-N	-1	340.401	ED	1.201	0	Anodyne	ref	EDAARM	CC(C)(C)NS(=O)(=O)c1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1	 
CC(C)(C)NS(=O)(=O)c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1	ZINC000020204083	26/30/79/441263079	NDGGVNFDLVXYJO-SNVBAGLBSA-N	-1	340.401	ED	1.201	0	Anodyne	ref	EDAARM	CC(C)(C)NS(=O)(=O)c1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1	 
CCCCCCNS(=O)(=O)c1ccc(NC(=O)C(=O)O)cc1	ZINC000020582413	14/96/63/212149663	PKHYXGWNQGIAIW-UHFFFAOYSA-N	-1	328.39	ED	1.568	0	Anodyne	ref	EDAARM	CCCCCCNS(=O)(=O)c1ccc(NC(=O)C(=O)[O-])cc1	 
Nc1cc(S(=O)(=O)N2CCCCC2)ccc1NCCC(=O)O	ZINC000021155368	49/40/23/303494023	OHNRRDKSWZOMHI-UHFFFAOYSA-N	-1	327.406	ED	1.33	0	Anodyne	ref	EDAARM	Nc1cc(S(=O)(=O)N2CCCCC2)ccc1NCCC(=O)[O-]	 
CCN(CC)S(=O)(=O)c1ccc2c(c1)nnn2CCCC(=O)O	ZINC000021155673	06/17/14/202061714	WLGHDDVTXVNQQG-UHFFFAOYSA-N	-1	340.405	ED	1.327	0	Anodyne	ref	EDAARM	CCN(CC)S(=O)(=O)c1ccc2c(c1)nnn2CCCC(=O)[O-]	 
O=C(O)c1ccc2c(c1)C(=O)N(c1ccc(Cn3cncn3)cc1)C2=O	ZINC000030822676	71/10/51/212711051	BBPPSPHYBYRHJK-UHFFFAOYSA-N	-1	348.318	ED	1.825	0	Anodyne	ref	EDAARM	O=C([O-])c1ccc2c(c1)C(=O)N(c1ccc(Cn3cncn3)cc1)C2=O