COc1ccc(/C=C/C(=O)Nc2ccc(NC(C)=O)cc2)cc1	ZINC000000028341	11/20/74/431112074	NJZQPGSNWQZNIH-LFYBBSHMSA-N	0	310.353	DG	3.306	0	Anodyne	ref	DGAARN	COc1ccc(/C=C/C(=O)Nc2ccc(NC(C)=O)cc2)cc1	in-vitro biogenic
O=S(=O)(Nc1ccccc1Br)c1ccccc1	ZINC000000032086	67/23/91/180672391	LBMJQGDIAXELFQ-UHFFFAOYSA-N	0	312.188	DG	3.25	0	Anodyne	ref	DGAARN	O=S(=O)(Nc1ccccc1Br)c1ccccc1	 
Cc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1	ZINC000000035678	64/36/68/545643668	WLJRTUWMOKECEF-UHFFFAOYSA-N	0	314.41	DG	3.287	0	Anodyne	ref	DGAARN	Cc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1	 
Cc1cccc(N2CCN(C(=O)c3cccs3)CC2)c1C	ZINC000000035698	42/58/02/134425802	WULYFCVBBFMVAM-UHFFFAOYSA-N	0	300.427	DG	3.327	0	Anodyne	ref	DGAARN	Cc1cccc(N2CCN(C(=O)c3cccs3)CC2)c1C	 
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cccs1	ZINC000000036184	75/71/25/263757125	DWRDVOZZROOHRX-CYBMUJFWSA-N	0	300.383	DG	3.199	0	Reactive	ref	DGGARN	CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cccs1	 
COc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ccccc1	ZINC000000037614	11/45/03/431114503	DXQNMBKWJDBULV-UHFFFAOYSA-N	0	300.314	DG	3.175	0	Bother	ref	DGBARN	COc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ccccc1	 
Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1C	ZINC000000038368	11/40/76/431114076	JUZIWZVWYCSLQJ-UHFFFAOYSA-N	0	300.314	DG	3.229	0	Bother	ref	DGBARN	Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1C	 
CCOC(=O)c1ccc(NC(=O)COc2ccccc2C)cc1	ZINC000000038380	67/48/78/180674878	VQARBLIRPFYOMY-UHFFFAOYSA-N	0	313.353	DG	3.189	0	Anodyne	ref	DGAARN	CCOC(=O)c1ccc(NC(=O)COc2ccccc2C)cc1	 
COc1ccc(C(=O)N2CCC(C)CC2)cc1Br	ZINC000000038385	67/50/50/180675050	QVUNHCMSRZKJMO-UHFFFAOYSA-N	0	312.207	DG	3.33	0	Anodyne	ref	DGAARN	COc1ccc(C(=O)N2CCC(C)CC2)cc1Br	 
NC(=O)c1c(NC(=O)C2CCCCC2)sc2c1CCCC2	ZINC000000038517	67/50/20/180675020	IZMYWEXQNFYSRZ-UHFFFAOYSA-N	0	306.431	DG	3.245	0	Anodyne	ref	DGAARN	NC(=O)c1c(NC(=O)C2CCCCC2)sc2c1CCCC2	 
Cc1ccc(C)c(OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)c1	ZINC000000038596	11/44/75/431114475	UVAIUHOBLGRLOX-UHFFFAOYSA-N	0	318.304	DG	3.368	0	Bother	ref	DGBARN	Cc1ccc(C)c(OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)c1	 
CCc1ccc(OC(=O)COc2ccc([N+](=O)[O-])cc2)cc1	ZINC000000038631	11/34/39/431113439	APBMVTCBXHZSBJ-UHFFFAOYSA-N	0	301.298	DG	3.142	0	Bother	ref	DGBARN	CCc1ccc(OC(=O)COc2ccc([N+](=O)[O-])cc2)cc1	 
COC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCC2	ZINC000000038692	11/51/34/431115134	VXJGXSSIZRLTRV-UHFFFAOYSA-N	0	301.367	DG	3.276	0	Anodyne	ref	DGAARN	COC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCC2	 
N#Cc1c(NC(=O)c2ccccc2C(=O)O)sc2c1CCC2	ZINC000000038730	11/41/30/431114130	HSUBIVXNBSPEOR-UHFFFAOYSA-N	-1	312.35	DG	3.059	0	Mild	ref	DGEARM	N#Cc1c(NC(=O)c2ccccc2C(=O)[O-])sc2c1CCC2	 
COC(=O)c1c(NC(=O)c2ccc(F)cc2)sc2c1CCC2	ZINC000000038745	11/34/03/431113403	BUKYOILTFAFNBL-UHFFFAOYSA-N	0	319.357	DG	3.415	0	Anodyne	ref	DGAARN	COC(=O)c1c(NC(=O)c2ccc(F)cc2)sc2c1CCC2	 
CCC(=O)Nc1sc(Cc2ccccc2)c(C)c1C(N)=O	ZINC000000038752	11/50/88/431115088	QZJMFFIMBRWTJT-UHFFFAOYSA-N	0	302.399	DG	3.095	0	Anodyne	ref	DGAARN	CCC(=O)Nc1sc(Cc2ccccc2)c(C)c1C(N)=O	 
Cc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000000038772	00/30/86/270003086	GJKJZOUBSZMRDZ-INIZCTEOSA-N	0	308.381	DG	3.446	0	Reactive	ref	DGGARN	Cc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1	 
NC(=O)c1c(NC(=O)c2cccs2)sc2c1CCCC2	ZINC000000038784	11/46/78/431114678	ZIWHMPMDSJQNGV-UHFFFAOYSA-N	0	306.412	DG	3.04	0	Anodyne	ref	DGAARN	NC(=O)c1c(NC(=O)c2cccs2)sc2c1CCCC2	 
Cc1n[nH]c2c1[C@H](c1ccc3ccccc3c1)C(C#N)=C(N)O2	ZINC000000038826	78/50/31/263785031	AYCZAKJQRAVLNQ-MRXNPFEDSA-N	0	302.337	DG	3.09	0	Reactive	ref	DGGARN	Cc1[nH]nc2c1[C@H](c1ccc3ccccc3c1)C(C#N)=C(N)O2	 
Cc1n[nH]c2c1[C@@H](c1ccc3ccccc3c1)C(C#N)=C(N)O2	ZINC000000038827	78/48/06/263784806	AYCZAKJQRAVLNQ-INIZCTEOSA-N	0	302.337	DG	3.09	0	Reactive	ref	DGGARN	Cc1[nH]nc2c1[C@@H](c1ccc3ccccc3c1)C(C#N)=C(N)O2	 
O=C(COc1ccc(Cl)cc1)Nc1cc([N+](=O)[O-])ccc1F	ZINC000000038836	67/47/95/180674795	VFVRWIQOJJIHEH-UHFFFAOYSA-N	0	324.695	DG	3.405	0	Bother	ref	DGBARN	O=C(COc1ccc(Cl)cc1)Nc1cc([N+](=O)[O-])ccc1F	 
Cc1cccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)c1	ZINC000000038873	11/48/17/431114817	QPXFRASVUOCLKD-UHFFFAOYSA-N	0	304.277	DG	3.06	0	Bother	ref	DGBARN	Cc1cccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)c1	 
Cc1cccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2C)c1	ZINC000000038886	11/53/16/431115316	FXZMZMVBPSLAEQ-UHFFFAOYSA-N	0	300.314	DG	3.229	0	Bother	ref	DGBARN	Cc1cccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2C)c1	 
Cc1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1	ZINC000000038888	67/47/87/180674787	OTMOUJIZCCZRQW-UHFFFAOYSA-N	0	300.314	DG	3.229	0	Bother	ref	DGBARN	Cc1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1	 
Cc1ccccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1C	ZINC000000038892	11/37/84/431113784	UYEBZHOSCJOHCT-UHFFFAOYSA-N	0	300.314	DG	3.229	0	Bother	ref	DGBARN	Cc1ccccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1C	 
Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccccc1C	ZINC000000038897	11/34/71/431113471	XYYIWOSMNNYQNJ-UHFFFAOYSA-N	0	300.314	DG	3.229	0	Bother	ref	DGBARN	Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccccc1C	 
Cc1cccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1	ZINC000000038913	11/34/82/431113482	AEHCPJOJOCNRGJ-UHFFFAOYSA-N	0	300.314	DG	3.229	0	Bother	ref	DGBARN	Cc1cccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1	 
CC(=O)c1ccc(NC(=S)NC(=O)c2cccc(C)c2)cc1	ZINC000000038922	11/50/15/431115015	TYCCCPUONNGUGR-UHFFFAOYSA-N	0	312.394	DG	3.324	0	Anodyne	ref	DGAARN	CC(=O)c1ccc(NC(=S)NC(=O)c2cccc(C)c2)cc1	 
O=C(Nc1ccccc1)N1CCN(C(=O)Nc2ccccc2)CC1	ZINC000000039351	11/46/52/431114652	ONUDVYZRNCZADU-UHFFFAOYSA-N	0	324.384	DG	3.068	0	Anodyne	ref	DGAARN	O=C(Nc1ccccc1)N1CCN(C(=O)Nc2ccccc2)CC1	 
Cc1ccccc1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2	ZINC000000044764	92/11/57/269921157	QRSPRYZQNBWNDS-INIZCTEOSA-N	0	308.381	DG	3.446	0	Reactive	ref	DGGARN	Cc1ccccc1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2	 
O=C1c2ccccc2C(=O)N1c1ccc(OC(F)(F)F)cc1	ZINC000000045861	11/34/91/431113491	SPIFAQZETZNUOR-UHFFFAOYSA-N	0	307.227	DG	3.386	0	Anodyne	ref	DGAARN	O=C1c2ccccc2C(=O)N1c1ccc(OC(F)(F)F)cc1	 
Cc1sc(NC(=S)Nc2ccccc2)c(C(N)=O)c1C	ZINC000000045879	67/68/53/180676853	HIIOVTJNHAUNAQ-UHFFFAOYSA-N	0	305.428	DG	3.273	0	Anodyne	ref	DGAARN	Cc1sc(NC(=S)Nc2ccccc2)c(C(N)=O)c1C	 
COc1ccc(NC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1	ZINC000000045973	11/46/44/431114644	XEUJCUUVWDOVQY-VZUCSPMQSA-N	0	313.353	DG	3.364	0	Anodyne	ref	DGAARN	COc1ccc(NC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1	in-vitro biogenic
CSc1ccc(/C=N/c2cccc3c(O)n[nH]c(=O)c23)cc1	ZINC000000047495	11/50/07/431115007	GQOXIGMPMSRGPP-RQZCQDPDSA-N	0	311.366	DG	3.101	2	Mild	low	DGEALN	CSc1ccc(C=Nc2cccc3c(=O)[nH][nH]c(=O)c23)cc1	 
CSc1ccc(/C=N/c2cccc3c(O)n[nH]c(=O)c23)cc1	ZINC000000047495	11/50/03/431115003	GQOXIGMPMSRGPP-RQZCQDPDSA-N	-1	311.366	DG	3.101	0	Mild	ref	DGEARM	CSc1ccc(C=Nc2cccc3c(=O)[nH][n-]c(=O)c23)cc1	 
NC(=O)c1cccc(/N=C/c2cc(Br)ccc2O)c1	ZINC000000047882	11/35/73/431113573	DPBKWTLAKLQDHY-CAOOACKPSA-N	-1	319.158	DG	3.004	3	Mild	high	DGEAHM	NC(=O)c1cccc(/N=C/c2cc(Br)ccc2[O-])c1	 
NC(=O)c1cccc(/N=C/c2cc(Br)ccc2O)c1	ZINC000000047882	11/35/63/431113563	DPBKWTLAKLQDHY-CAOOACKPSA-N	0	319.158	DG	3.004	0	Mild	ref	DGEARN	NC(=O)c1cccc(/N=C/c2cc(Br)ccc2O)c1	 
Cc1cc(C)n(/N=C/c2cc(Cl)cc(Cl)c2O)c(=O)c1	ZINC000000054691	11/65/63/431116563	WNOSYZDWVAPALN-REZTVBANSA-N	0	311.168	DG	3.36	2	Mild	low	DGEALN	Cc1cc(C)n(/N=C/c2cc(Cl)cc(Cl)c2O)c(=O)c1	 
Cc1cc(C)n(/N=C/c2cc(Cl)cc(Cl)c2O)c(=O)c1	ZINC000000054691	11/65/58/431116558	WNOSYZDWVAPALN-REZTVBANSA-N	-1	311.168	DG	3.36	0	Mild	ref	DGEARM	Cc1cc(C)n(/N=C/c2cc(Cl)cc(Cl)c2[O-])c(=O)c1	 
NC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1	ZINC000000060372	11/73/16/431117316	WGFZYYUOMVKNKL-UHFFFAOYSA-N	0	309.152	DG	3.345	0	Anodyne	ref	DGAARN	NC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1	 
Cc1cccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)c1	ZINC000000061432	11/68/52/431116852	LXLCGFMIVAOCIO-UHFFFAOYSA-N	0	314.41	DG	3.287	0	Anodyne	ref	DGAARN	Cc1cccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)c1	 
Cc1cccc(NC(=S)N/N=C/c2ccccc2[N+](=O)[O-])c1	ZINC000000065997	11/79/22/431117922	LYWKWNWIGLGLJA-MHWRWJLKSA-N	0	314.37	DG	3.224	0	Mild	ref	DGEARN	Cc1cccc(NC(=S)N/N=C/c2ccccc2[N+](=O)[O-])c1	 
Cc1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1	ZINC000000069006	11/96/65/431119665	ZEJOACDOSQXHOQ-UHFFFAOYSA-N	0	304.277	DG	3.06	0	Bother	ref	DGBARN	Cc1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1	 
CC(C)(C)c1ccc(C(=O)NC(=S)NCc2ccco2)cc1	ZINC000000069375	68/28/10/180682810	PIQPPZIADQBYNC-UHFFFAOYSA-N	0	316.426	DG	3.382	0	Anodyne	ref	DGAARN	CC(C)(C)c1ccc(C(=O)NC(=S)NCc2ccco2)cc1	 
CCCC(=O)Nc1sc(Cc2ccccc2)c(C)c1C(N)=O	ZINC000000070344	68/35/48/180683548	ZVQSCNBRYZYGMI-UHFFFAOYSA-N	0	316.426	DG	3.485	0	Anodyne	ref	DGAARN	CCCC(=O)Nc1sc(Cc2ccccc2)c(C)c1C(N)=O	 
CCc1ccc(OC(=O)c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000000070792	11/88/86/431118886	LRARDEUIPWUDOG-UHFFFAOYSA-N	0	316.353	DG	3.494	0	Anodyne	ref	DGAARN	CCc1ccc(OC(=O)c2cc(OC)c(OC)c(OC)c2)cc1	 
CCOc1ccc(CC(=O)NCc2ccccc2)cc1OCC	ZINC000000072340	12/01/30/431120130	SQAFTVHFKKDJMK-UHFFFAOYSA-N	0	313.397	DG	3.343	0	Anodyne	ref	DGAARN	CCOc1ccc(CC(=O)NCc2ccccc2)cc1OCC	 
CCN(CC)c1ccc(/C=N/n2c(C)cc(C)c(C#N)c2=O)cc1	ZINC000000075992	11/90/19/431119019	KKMVHURNNSEUOF-FYJGNVAPSA-N	0	322.412	DG	3.065	0	Mild	ref	DGEARN	CCN(CC)c1ccc(/C=N/n2c(C)cc(C)c(C#N)c2=O)cc1	 
O=C(/C=C/c1cccs1)NC(=S)N1CCc2ccccc21	ZINC000000079170	12/04/03/431120403	NRZNOSPUMBAXIF-BQYQJAHWSA-N	0	314.435	DG	3.225	0	Anodyne	ref	DGAARN	O=C(/C=C/c1cccs1)NC(=S)N1CCc2ccccc21	 
N#Cc1c(N2C(=O)c3ccccc3C2=O)sc2c1CCCC2	ZINC000000082037	08/23/95/283082395	XWGXYAWQMGAWEV-UHFFFAOYSA-N	0	308.362	DG	3.299	0	Mild	ref	DGEARN	N#Cc1c(N2C(=O)c3ccccc3C2=O)sc2c1CCCC2	 
COC(=O)c1ccccc1NC(=O)COc1ccccc1Cl	ZINC000000094384	12/34/17/431123417	BCNLJHOMPOALFW-UHFFFAOYSA-N	0	319.744	DG	3.144	0	Anodyne	ref	DGAARN	COC(=O)c1ccccc1NC(=O)COc1ccccc1Cl	 
CCOC(=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000000103144	69/40/40/180694040	IJMKDLBBYDDPIY-UHFFFAOYSA-N	0	314.297	DG	3.024	0	Bother	ref	DGBARN	CCOC(=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1	 
CC(=O)N(C)c1ccc(NC(=O)/C=C/c2ccc(F)cc2)cc1	ZINC000000106251	12/62/61/431126261	GWWZNLLAUCDKJN-LFYBBSHMSA-N	0	312.344	DG	3.46	0	Anodyne	ref	DGAARN	CC(=O)N(C)c1ccc(NC(=O)/C=C/c2ccc(F)cc2)cc1	 
COc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccc(C)o1	ZINC000000106396	69/50/35/180695035	HAYCODFHXNYISB-SOFGYWHQSA-N	0	302.286	DG	3.157	0	Bother	ref	DGBARN	COc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccc(C)o1	 
COC(=O)c1ccccc1NC(=O)COc1cc(C)ccc1C	ZINC000000112168	12/77/21/431127721	GBXNTZBTYFPGFY-UHFFFAOYSA-N	0	313.353	DG	3.108	0	Anodyne	ref	DGAARN	COC(=O)c1ccccc1NC(=O)COc1cc(C)ccc1C	 
COC(=O)c1ccccc1NC(=O)Cc1ccc(Cl)cc1	ZINC000000116331	69/81/98/180698198	WGCOTTSEEDWSCX-UHFFFAOYSA-N	0	303.745	DG	3.308	0	Anodyne	ref	DGAARN	COC(=O)c1ccccc1NC(=O)Cc1ccc(Cl)cc1	 
Cc1cc(C)n(/N=C/c2ccc3ccccc3c2)c(=O)c1C#N	ZINC000000116546	12/73/29/431127329	BBNWZROEVRXJEH-CIAFOILYSA-N	0	301.349	DG	3.372	0	Mild	ref	DGEARN	Cc1cc(C)n(/N=C/c2ccc3ccccc3c2)c(=O)c1C#N	 
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1	ZINC000000121200	12/84/66/431128466	MJIHMTDNBRWRDM-UHFFFAOYSA-N	-1	324.789	DG	3.099	1	Anodyne	mid	DGAAMM	CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1	 
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1	ZINC000000121200	12/84/50/431128450	MJIHMTDNBRWRDM-UHFFFAOYSA-N	0	324.789	DG	3.099	0	Anodyne	ref	DGAARN	CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1	 
COC(=O)c1ccccc1NC(=O)COc1ccc(Cl)cc1	ZINC000000123686	70/05/55/180700555	AWXAWMBJMXVXBJ-UHFFFAOYSA-N	0	319.744	DG	3.144	0	Anodyne	ref	DGAARN	COC(=O)c1ccccc1NC(=O)COc1ccc(Cl)cc1	 
NC(=O)c1ccccc1/N=C/c1ccc(Br)s1	ZINC000000125313	70/09/89/180700989	OZEADOPONHLEDS-VIZOYTHASA-N	0	309.188	DG	3.36	0	Mild	ref	DGEARN	NC(=O)c1ccccc1/N=C/c1ccc(Br)s1	 
CC1(C)[C@@H](C(=O)N2CCc3ccccc32)CC[C@]1(C)C(=O)O	ZINC000000125507	13/06/04/431130604	HAUCCCPJLQSBIQ-FZKQIMNGSA-N	-1	301.386	DG	3.103	0	Anodyne	ref	DGAARM	CC1(C)[C@@H](C(=O)N2CCc3ccccc32)CC[C@]1(C)C(=O)[O-]	 
CC1(C)[C@@H](C(=O)N2CCc3ccccc32)CC[C@@]1(C)C(=O)O	ZINC000000125511	13/00/74/431130074	HAUCCCPJLQSBIQ-ACJLOTCBSA-N	-1	301.386	DG	3.103	0	Anodyne	ref	DGAARM	CC1(C)[C@@H](C(=O)N2CCc3ccccc32)CC[C@@]1(C)C(=O)[O-]	 
CC1(C)[C@H](C(=O)N2CCc3ccccc32)CC[C@]1(C)C(=O)O	ZINC000000125513	12/99/63/431129963	HAUCCCPJLQSBIQ-SCLBCKFNSA-N	-1	301.386	DG	3.103	0	Anodyne	ref	DGAARM	CC1(C)[C@H](C(=O)N2CCc3ccccc32)CC[C@]1(C)C(=O)[O-]	 
CC1(C)[C@H](C(=O)N2CCc3ccccc32)CC[C@@]1(C)C(=O)O	ZINC000000125515	46/48/33/281464833	HAUCCCPJLQSBIQ-UGSOOPFHSA-N	-1	301.386	DG	3.103	0	Anodyne	ref	DGAARM	CC1(C)[C@H](C(=O)N2CCc3ccccc32)CC[C@@]1(C)C(=O)[O-]	 
Cc1ccccc1C(=O)Nc1sc2c(c1C(N)=O)CCCC2	ZINC000000127333	13/14/65/431131465	GLMUPSMDHQHUED-UHFFFAOYSA-N	0	314.41	DG	3.287	0	Anodyne	ref	DGAARN	Cc1ccccc1C(=O)Nc1sc2c(c1C(N)=O)CCCC2	 
Cc1sc(NC(=O)/C=C/c2ccccc2)c(C(N)=O)c1C	ZINC000000134101	70/47/31/180704731	PEGVYFVTQHBMJJ-CMDGGOBGSA-N	0	300.383	DG	3.116	0	Anodyne	ref	DGAARN	Cc1sc(NC(=O)/C=C/c2ccccc2)c(C(N)=O)c1C	 
COc1cc(C(=O)NCCC2=CCCCC2)cc(OC)c1OC	ZINC000000142054	13/42/98/431134298	DBECRNOLHVXGLW-UHFFFAOYSA-N	0	319.401	DG	3.333	0	Anodyne	ref	DGAARN	COc1cc(C(=O)NCCC2=CCCCC2)cc(OC)c1OC	 
O=C(CCC(=O)Nc1ccc(F)cc1)Nc1ccc(F)cc1	ZINC000000142057	70/65/84/180706584	NXRDDEZZRFPHAD-UHFFFAOYSA-N	0	304.296	DG	3.322	0	Anodyne	ref	DGAARN	O=C(CCC(=O)Nc1ccc(F)cc1)Nc1ccc(F)cc1	 
Cc1ccc(OC(=O)CCC(=O)N2CCc3ccccc32)cc1	ZINC000000142069	13/42/40/431134240	PIWQHEJJIDVUPC-UHFFFAOYSA-N	0	309.365	DG	3.27	0	Anodyne	ref	DGAARN	Cc1ccc(OC(=O)CCC(=O)N2CCc3ccccc32)cc1	 
Cc1ccc(OC(=O)CCC(=O)Nc2cccc(C#N)c2)cc1	ZINC000000142160	64/45/21/545644521	ZXPKWZHUKYBYBG-UHFFFAOYSA-N	0	308.337	DG	3.191	0	Mild	ref	DGEARN	Cc1ccc(OC(=O)CCC(=O)Nc2cccc(C#N)c2)cc1	 
COc1cc(C(=O)Oc2ccccc2C)cc(OC)c1OC	ZINC000000142205	13/42/18/431134218	FAICQWUSVMNCPZ-UHFFFAOYSA-N	0	302.326	DG	3.24	0	Anodyne	ref	DGAARN	COc1cc(C(=O)Oc2ccccc2C)cc(OC)c1OC	 
COc1ccc(OC)c(NC(=O)COc2cccc(C)c2)c1	ZINC000000142266	13/48/06/431134806	GGYUETWMJWHECL-UHFFFAOYSA-N	0	301.342	DG	3.03	0	Anodyne	ref	DGAARN	COc1ccc(OC)c(NC(=O)COc2cccc(C)c2)c1	 
Cc1ccc(OCC(=O)n2nc(C)cc2C)c(Br)c1	ZINC000000142318	13/39/51/431133951	FIWKTLUWUAWDED-UHFFFAOYSA-N	0	323.19	DG	3.29	0	Anodyne	ref	DGAARN	Cc1ccc(OCC(=O)n2nc(C)cc2C)c(Br)c1	 
Cc1c(Cc2ccccc2)sc(NC(=O)C2CC2)c1C(N)=O	ZINC000000142577	70/68/03/180706803	CZUPYWVKOMSUAC-UHFFFAOYSA-N	0	314.41	DG	3.095	0	Anodyne	ref	DGAARN	Cc1c(Cc2ccccc2)sc(NC(=O)C2CC2)c1C(N)=O	 
COc1cc(C(=O)Oc2cccc(C)c2)cc(OC)c1OC	ZINC000000142581	13/37/47/431133747	RXUPDVHLMLILNJ-UHFFFAOYSA-N	0	302.326	DG	3.24	0	Anodyne	ref	DGAARN	COc1cc(C(=O)Oc2cccc(C)c2)cc(OC)c1OC	 
CCOc1ccc(CC(=O)Nc2nccs2)cc1OCC	ZINC000000142761	70/65/32/180706532	AVHZUYWXFGJADO-UHFFFAOYSA-N	0	306.387	DG	3.122	0	Anodyne	ref	DGAARN	CCOc1ccc(CC(=O)Nc2nccs2)cc1OCC	 
CCN(CC)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1	ZINC000000143066	13/40/81/431134081	GCAMMJGLUFZMCZ-UHFFFAOYSA-N	-1	312.369	DG	3.483	0	Anodyne	ref	DGAARM	CCN(CC)c1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1	 
N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccccc2)[C@@H]2CCCC=C12	ZINC000000143298	61/78/04/263617804	GLTPZAGLCSGAKP-NVXWUHKLSA-N	0	300.365	DG	3.28	0	Reactive	ref	DGGARN	N#CC1=C2CCCC[C@H]2[C@@H](c2ccccc2)C(C#N)(C#N)C1=N	 
NC(=O)c1c(NC(=O)Nc2ccccc2)sc2c1CCCC2	ZINC000000143445	13/47/25/431134725	HZYRBUCNWBHBKG-UHFFFAOYSA-N	0	315.398	DG	3.37	0	Anodyne	ref	DGAARN	NC(=O)c1c(NC(=O)Nc2ccccc2)sc2c1CCCC2	 
COc1ccc(NC(=O)CCC(=O)Oc2ccc(C)cc2)cc1	ZINC000000143496	70/68/29/180706829	QQSSONLJSUVONJ-UHFFFAOYSA-N	0	313.353	DG	3.328	0	Anodyne	ref	DGAARN	COc1ccc(NC(=O)CCC(=O)Oc2ccc(C)cc2)cc1	 
Cc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1	ZINC000000162861	13/70/12/431137012	WUDUFRBXYAYWEV-UHFFFAOYSA-N	0	308.425	DG	3.389	3	Anodyne	high	DGAAHN	Cc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1	 
Cc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1	ZINC000000162861	13/70/07/431137007	WUDUFRBXYAYWEV-UHFFFAOYSA-N	1	308.425	DG	3.389	0	Anodyne	ref	DGAARO	Cc1ccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1	 
CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)cc(C)c2)cc1	ZINC000000176835	13/89/55/431138955	BSFFQTHEJJHQHE-UHFFFAOYSA-N	-1	318.398	DG	3.063	1	Anodyne	mid	DGAAMM	CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1	 
CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)cc(C)c2)cc1	ZINC000000176835	13/89/43/431138943	BSFFQTHEJJHQHE-UHFFFAOYSA-N	0	318.398	DG	3.063	0	Anodyne	ref	DGAARN	CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)cc(C)c2)cc1	 
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1	ZINC000000190993	72/07/18/180720718	XTBWHDGXIYEPSS-UHFFFAOYSA-N	-1	318.398	DG	3.063	3	Anodyne	high	DGAAHM	CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1	 
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1	ZINC000000190993	72/07/16/180720716	XTBWHDGXIYEPSS-UHFFFAOYSA-N	0	318.398	DG	3.063	0	Anodyne	ref	DGAARN	CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1	 
Cc1cc(C)n(C(=O)COc2ccc(Br)cc2C)n1	ZINC000000194052	14/45/33/431144533	PYGZNXMGSSCNBQ-UHFFFAOYSA-N	0	323.19	DG	3.29	0	Anodyne	ref	DGAARN	Cc1cc(C)n(C(=O)COc2ccc(Br)cc2C)n1	 
CC(=O)N/C(=C\c1ccccc1)C(=O)Nc1ccc(C)c(F)c1	ZINC000000238821	15/17/40/431151740	GAVBTERUSICGMZ-YVLHZVERSA-N	0	312.344	DG	3.25	0	Anodyne	ref	DGAARN	CC(=O)N/C(=C\c1ccccc1)C(=O)Nc1ccc(C)c(F)c1	 
COc1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2)cc1	ZINC000000249922	15/46/04/431154604	QPIPXTGNTAJAFO-UHFFFAOYSA-N	0	320.801	DG	3.475	0	Anodyne	ref	DGAARN	COc1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2)cc1	 
O=C(Nc1ccccc1)c1ccccc1NC(=O)C(F)(F)F	ZINC000000257187	15/60/89/431156089	YAUZEAQDMNGULO-UHFFFAOYSA-N	0	308.259	DG	3.44	0	Anodyne	ref	DGAARN	O=C(Nc1ccccc1)c1ccccc1NC(=O)C(F)(F)F	 
COc1ccc(NC(=O)[C@H]2CC[C@](C)(C(=O)O)C2(C)C)cc1	ZINC000000261209	15/70/00/431157000	QPYTVMVVJQQGBR-CXAGYDPISA-N	-1	305.374	DG	3.161	0	Anodyne	ref	DGAARM	COc1ccc(NC(=O)[C@H]2CC[C@](C)(C(=O)[O-])C2(C)C)cc1	 
COc1ccc(NC(=O)[C@H]2CC[C@@](C)(C(=O)O)C2(C)C)cc1	ZINC000000261212	15/74/09/431157409	QPYTVMVVJQQGBR-DYVFJYSZSA-N	-1	305.374	DG	3.161	0	Anodyne	ref	DGAARM	COc1ccc(NC(=O)[C@H]2CC[C@@](C)(C(=O)[O-])C2(C)C)cc1	 
COc1ccc(NC(=O)[C@@H]2CC[C@](C)(C(=O)O)C2(C)C)cc1	ZINC000000261215	74/12/88/180741288	QPYTVMVVJQQGBR-SUMWQHHRSA-N	-1	305.374	DG	3.161	0	Anodyne	ref	DGAARM	COc1ccc(NC(=O)[C@@H]2CC[C@](C)(C(=O)[O-])C2(C)C)cc1	 
COc1ccc(NC(=O)[C@@H]2CC[C@@](C)(C(=O)O)C2(C)C)cc1	ZINC000000261217	15/66/01/431156601	QPYTVMVVJQQGBR-GUYCJALGSA-N	-1	305.374	DG	3.161	0	Anodyne	ref	DGAARM	COc1ccc(NC(=O)[C@@H]2CC[C@@](C)(C(=O)[O-])C2(C)C)cc1	 
CCOC(=O)C1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1	ZINC000000265937	15/61/06/431156106	VTSSKTSPLOZICR-UHFFFAOYSA-N	0	317.429	DG	3.399	0	Anodyne	ref	DGAARN	CCOC(=O)C1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1	 
Cc1ccc(NC(=S)N/N=C/c2ccccc2[N+](=O)[O-])cc1	ZINC000000267312	15/61/89/431156189	FLCKCDBTHAPPQI-MHWRWJLKSA-N	0	314.37	DG	3.224	0	Mild	ref	DGEARN	Cc1ccc(NC(=S)N/N=C/c2ccccc2[N+](=O)[O-])cc1	 
CC(=O)c1ccc(NC(=S)NC(=O)/C=C/c2ccccc2)cc1	ZINC000000284308	74/72/29/180747229	GUEQNBQXPIJJTA-KPKJPENVSA-N	0	324.405	DG	3.416	0	Anodyne	ref	DGAARN	CC(=O)c1ccc(NC(=S)NC(=O)C=Cc2ccccc2)cc1	 
NC(=O)c1ccc(/N=C/c2ccc(Br)s2)cc1	ZINC000000288285	16/00/81/431160081	FJVRMIXZEQOKER-VIZOYTHASA-N	0	309.188	DG	3.36	0	Mild	ref	DGEARN	NC(=O)c1ccc(/N=C/c2ccc(Br)s2)cc1	 
NS(=O)(=O)c1ccc(/N=C/c2ccc3ccccc3c2)cc1	ZINC000000294306	75/02/71/180750271	TZBZWVWKSQXYNX-XDHOZWIPSA-N	0	310.378	DG	3.238	0	Mild	ref	DGEARN	NS(=O)(=O)c1ccc(/N=C/c2ccc3ccccc3c2)cc1