CN(C(=O)CSc1ccccc1C(=O)O)c1ccccc1	ZINC000000032128	64/35/40/545643540	CDDDZKZEJVHOND-UHFFFAOYSA-N	-1	301.367	DG	3.14	0	Anodyne	ref	DGAARM	CN(C(=O)CSc1ccccc1C(=O)[O-])c1ccccc1	 
COc1ccc(C=O)cc1Cn1nc(C)c(Br)c1C	ZINC000000035734	64/38/73/545643873	IDSBMSXHJNHBEO-UHFFFAOYSA-N	0	323.19	DG	3.132	0	Anodyne	ref	DGAARN	COc1ccc(C=O)cc1Cn1nc(C)c(Br)c1C	 
COc1ccc(C=O)cc1COc1ccc([N+](=O)[O-])c(C)c1	ZINC000000035761	67/36/77/180673677	JJHMHLVFWHXKEK-UHFFFAOYSA-N	0	301.298	DG	3.303	0	Bother	ref	DGBARN	COc1ccc(C=O)cc1COc1ccc([N+](=O)[O-])c(C)c1	 
COc1ccc(C=O)cc1COc1ccc(C)cc1[N+](=O)[O-]	ZINC000000035790	64/35/28/545643528	ANVVHXVNYURAKK-UHFFFAOYSA-N	0	301.298	DG	3.303	0	Bother	ref	DGBARN	COc1ccc(C=O)cc1COc1ccc(C)cc1[N+](=O)[O-]	 
O=C(O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1	ZINC000000037685	25/11/50/304251150	NOJPLFKBINIONR-MRXNPFEDSA-N	-1	313.378	DG	3.159	0	Anodyne	ref	DGAARM	O=C([O-])c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1	 
O=C(O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1	ZINC000000037686	11/48/38/431114838	NOJPLFKBINIONR-INIZCTEOSA-N	-1	313.378	DG	3.159	0	Anodyne	ref	DGAARM	O=C([O-])c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1	 
Cc1c(OCC(=O)O)ccc2c(-c3ccccc3)cc(=O)oc12	ZINC000000044206	11/47/61/431114761	WBGUFVKWKXBGGO-UHFFFAOYSA-N	-1	310.305	DG	3.232	0	Anodyne	ref	DGAARM	Cc1c(OCC(=O)[O-])ccc2c(-c3ccccc3)cc(=O)oc12	 
O=C(O)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12	ZINC000000047976	11/38/14/431113814	ICBSLSGMOTUPAX-UHFFFAOYSA-N	-1	307.305	DG	3.371	0	Anodyne	ref	DGAARM	O=C([O-])c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12	 
Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(=O)O)ccc12	ZINC000000052427	67/87/84/180678784	RDBWTPZPKRABOQ-UHFFFAOYSA-N	-1	324.332	DG	3.156	0	Anodyne	ref	DGAARM	Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(=O)[O-])ccc12	 
O=C(O)c1ccc([C@@H]2NCc3ccccc3-n3cccc32)cc1	ZINC000000056292	11/66/98/431116698	KSERTGUHLVIODL-SFHVURJKSA-N	-1	304.349	DG	3.368	1	Anodyne	mid	DGAAMM	O=C([O-])c1ccc([C@@H]2NCc3ccccc3-n3cccc32)cc1	 
O=C(O)c1ccc([C@@H]2NCc3ccccc3-n3cccc32)cc1	ZINC000000056292	11/66/83/431116683	KSERTGUHLVIODL-SFHVURJKSA-N	0	304.349	DG	3.368	0	Anodyne	ref	DGAARN	O=C([O-])c1ccc([C@@H]2[NH2+]Cc3ccccc3-n3cccc32)cc1	 
O=C(O)c1ccc([C@H]2NCc3ccccc3-n3cccc32)cc1	ZINC000000056293	99/05/25/295990525	KSERTGUHLVIODL-GOSISDBHSA-N	-1	304.349	DG	3.368	1	Anodyne	mid	DGAAMM	O=C([O-])c1ccc([C@H]2NCc3ccccc3-n3cccc32)cc1	 
O=C(O)c1ccc([C@H]2NCc3ccccc3-n3cccc32)cc1	ZINC000000056293	99/05/21/295990521	KSERTGUHLVIODL-GOSISDBHSA-N	0	304.349	DG	3.368	0	Anodyne	ref	DGAARN	O=C([O-])c1ccc([C@H]2[NH2+]Cc3ccccc3-n3cccc32)cc1	 
COC(=O)c1c(N)sc(C(=O)Nc2ccc(C)cc2C)c1C	ZINC000000068156	68/30/90/180683090	PNDBTKYGUJHZJB-UHFFFAOYSA-N	0	318.398	DG	3.294	0	Anodyne	ref	DGAARN	COC(=O)c1c(N)sc(C(=O)Nc2ccc(C)cc2C)c1C	 
CCOC(=O)c1c(N)sc(C(=O)Nc2ccccc2)c1C	ZINC000000075276	11/95/67/431119567	QQDPRGVPYOPPBA-UHFFFAOYSA-N	0	304.371	DG	3.068	0	Anodyne	ref	DGAARN	CCOC(=O)c1c(N)sc(C(=O)Nc2ccccc2)c1C	 
O=C(O)CSc1nnc(-c2ccccc2)n1-c1ccccc1	ZINC000000078329	11/85/00/431118500	AVUOMUDSGDOION-UHFFFAOYSA-N	-1	311.366	DG	3.111	0	Anodyne	ref	DGAARM	O=C([O-])CSc1nnc(-c2ccccc2)n1-c1ccccc1	 
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	 
O=C(CSc1ccccc1C(=O)O)Nc1ccccc1F	ZINC000000089061	12/19/31/431121931	XOTPQGNCZGARQA-UHFFFAOYSA-N	-1	305.33	DG	3.255	0	Anodyne	ref	DGAARM	O=C(CSc1ccccc1C(=O)[O-])Nc1ccccc1F	 
COc1ccc(Cl)cc1NCN1C(=O)c2ccccc2C1=O	ZINC000000102402	12/42/94/431124294	WWUNRGKZUKYVIG-UHFFFAOYSA-N	0	316.744	DG	3.014	0	Anodyne	ref	DGAARN	COc1ccc(Cl)cc1NCN1C(=O)c2ccccc2C1=O	 
Cc1ccc([C@@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1	ZINC000000105125	12/65/66/431126566	AATJFFJZXDUIAL-IRXDYDNUSA-N	0	306.365	DG	3.165	1	Anodyne	mid	DGAAMN	Cc1ccc([C@@H]2[NH2+][C@H](C(=O)[O-])Cc3c2[nH]c2ccccc32)cc1	 
Cc1ccc([C@@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1	ZINC000000105125	12/65/58/431126558	AATJFFJZXDUIAL-IRXDYDNUSA-N	-1	306.365	DG	3.165	0	Anodyne	ref	DGAARM	Cc1ccc([C@@H]2N[C@H](C(=O)[O-])Cc3c2[nH]c2ccccc32)cc1	 
Cc1ccc([C@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1	ZINC000000105127	12/46/69/431124669	AATJFFJZXDUIAL-DLBZAZTESA-N	0	306.365	DG	3.165	1	Anodyne	mid	DGAAMN	Cc1ccc([C@H]2[NH2+][C@H](C(=O)[O-])Cc3c2[nH]c2ccccc32)cc1	 
Cc1ccc([C@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1	ZINC000000105127	12/46/53/431124653	AATJFFJZXDUIAL-DLBZAZTESA-N	-1	306.365	DG	3.165	0	Anodyne	ref	DGAARM	Cc1ccc([C@H]2N[C@H](C(=O)[O-])Cc3c2[nH]c2ccccc32)cc1	 
Cc1ccc([C@@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1	ZINC000000105130	23/20/34/292232034	AATJFFJZXDUIAL-SJORKVTESA-N	0	306.365	DG	3.165	1	Anodyne	mid	DGAAMN	Cc1ccc([C@@H]2[NH2+][C@@H](C(=O)[O-])Cc3c2[nH]c2ccccc32)cc1	 
Cc1ccc([C@@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1	ZINC000000105130	23/20/29/292232029	AATJFFJZXDUIAL-SJORKVTESA-N	-1	306.365	DG	3.165	0	Anodyne	ref	DGAARM	Cc1ccc([C@@H]2N[C@@H](C(=O)[O-])Cc3c2[nH]c2ccccc32)cc1	 
Cc1ccc([C@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1	ZINC000000105133	86/24/93/278862493	AATJFFJZXDUIAL-IAGOWNOFSA-N	0	306.365	DG	3.165	1	Anodyne	mid	DGAAMN	Cc1ccc([C@H]2[NH2+][C@@H](C(=O)[O-])Cc3c2[nH]c2ccccc32)cc1	 
Cc1ccc([C@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1	ZINC000000105133	86/24/92/278862492	AATJFFJZXDUIAL-IAGOWNOFSA-N	-1	306.365	DG	3.165	0	Anodyne	ref	DGAARM	Cc1ccc([C@H]2N[C@@H](C(=O)[O-])Cc3c2[nH]c2ccccc32)cc1	 
COC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1cccs1	ZINC000000110210	12/51/32/431125132	SLZGKILOTAGHIY-UHFFFAOYSA-N	0	305.355	DG	3.0	0	Anodyne	ref	DGAARN	COC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1cccs1	 
CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1N	ZINC000000118226	12/78/76/431127876	OZWGHIQPWZHYPG-UHFFFAOYSA-N	0	307.371	DG	3.191	0	Anodyne	ref	DGAARN	CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1N	 
COC(=O)c1c(C)oc2cc3c(C(=O)OC)c(C)oc3cc12	ZINC000000122313	14/82/59/277148259	BBHYQYNYQCHBGP-UHFFFAOYSA-N	0	302.282	DG	3.369	0	Anodyne	ref	DGAARN	COC(=O)c1c(C)oc2cc3c(C(=O)OC)c(C)oc3cc12	 
C[C@H](Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)O	ZINC000000123810	12/87/79/431128779	RJPJBRVAOGKWOD-NSHDSACASA-N	-1	310.305	DG	3.312	0	Anodyne	ref	DGAARM	C[C@H](Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)[O-]	 
C[C@@H](Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)O	ZINC000000123812	70/06/30/180700630	RJPJBRVAOGKWOD-LLVKDONJSA-N	-1	310.305	DG	3.312	0	Anodyne	ref	DGAARM	C[C@@H](Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)[O-]	 
O=C(O)c1c2c(nc3ccccc13)CCN(Cc1ccccc1)C2	ZINC000000125838	13/10/72/431131072	WWVSDQYFRSUJAZ-UHFFFAOYSA-N	0	318.376	DG	3.491	2	Anodyne	low	DGAALN	O=C([O-])c1c2c(nc3ccccc13)CC[N@H+](Cc1ccccc1)C2	 
O=C(O)c1c2c(nc3ccccc13)CCN(Cc1ccccc1)C2	ZINC000000125838	13/10/64/431131064	WWVSDQYFRSUJAZ-UHFFFAOYSA-N	0	318.376	DG	3.491	2	Anodyne	low	DGAALN	O=C([O-])c1c2c(nc3ccccc13)CC[N@@H+](Cc1ccccc1)C2	 
O=C(O)c1c2c(nc3ccccc13)CCN(Cc1ccccc1)C2	ZINC000000125838	13/10/55/431131055	WWVSDQYFRSUJAZ-UHFFFAOYSA-N	-1	318.376	DG	3.491	0	Anodyne	ref	DGAARM	O=C([O-])c1c2c(nc3ccccc13)CCN(Cc1ccccc1)C2	 
COc1ccc(NC(=O)c2c(N)sc3c2CCCC3)cc1	ZINC000000127328	13/07/62/431130762	ZVCHKLYMJWMDHO-UHFFFAOYSA-N	0	302.399	DG	3.47	0	Anodyne	ref	DGAARN	COc1ccc(NC(=O)c2c(N)sc3c2CCCC3)cc1	 
CCc1cccc(CC)c1N1C(=O)c2ccc(C(=O)O)cc2C1=O	ZINC000000150009	13/48/27/431134827	GTYJWAXDSFDPFA-UHFFFAOYSA-N	-1	323.348	DG	3.31	0	Anodyne	ref	DGAARM	CCc1cccc(CC)c1N1C(=O)c2ccc(C(=O)[O-])cc2C1=O	 
CCOC(=O)c1c(N)sc(C(=O)Nc2ccccc2C)c1C	ZINC000000151064	13/44/30/431134430	PGVIRPTYJZFNOW-UHFFFAOYSA-N	0	318.398	DG	3.376	0	Anodyne	ref	DGAARN	CCOC(=O)c1c(N)sc(C(=O)Nc2ccccc2C)c1C	 
COC(=O)c1cccc(Cn2nc(C)c(Br)c2C)c1	ZINC000000161233	13/64/36/431136436	GDHNOIBECCYEGN-UHFFFAOYSA-N	0	323.19	DG	3.097	0	Anodyne	ref	DGAARN	COC(=O)c1cccc(Cn2nc(C)c(Br)c2C)c1	 
Cc1nn(Cc2cccc(C(=O)O)c2)c(C)c1Br	ZINC000000161235	13/73/97/431137397	HSTGVTRSHDNWHK-UHFFFAOYSA-N	-1	309.163	DG	3.009	0	Anodyne	ref	DGAARM	Cc1nn(Cc2cccc(C(=O)[O-])c2)c(C)c1Br	 
O=C(O)COc1ccc(-c2cc(C(=O)O)c3ccccc3n2)cc1	ZINC000000205019	14/45/74/431144574	GVKSRDFEYZANBX-UHFFFAOYSA-N	-2	323.304	DG	3.063	0	Anodyne	ref	DGAARL	O=C([O-])COc1ccc(-c2cc(C(=O)[O-])c3ccccc3n2)cc1	 
COC(=O)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1	ZINC000000206677	14/50/81/431145081	LBMPDECEGMPFNZ-UHFFFAOYSA-N	0	321.258	DG	3.202	0	Anodyne	ref	DGAARN	COC(=O)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1	 
O=C(O)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1	ZINC000000209772	22/97/28/304229728	CVWQXSRDDMGZQX-UHFFFAOYSA-N	-1	313.26	DG	3.175	0	Anodyne	ref	DGAARM	O=C([O-])c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1	 
O=C(O)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1	ZINC000000224886	22/98/91/304229891	ATBJQBRIAPZDIC-UHFFFAOYSA-N	-1	307.231	DG	3.113	0	Anodyne	ref	DGAARM	O=C([O-])c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1	 
O=C(O)c1cnn2c(C(F)(F)F)cc(-c3cccs3)nc12	ZINC000000224893	28/02/09/304280209	BQRJQAACCPRZPK-UHFFFAOYSA-N	-1	313.26	DG	3.175	0	Anodyne	ref	DGAARM	O=C([O-])c1cnn2c(C(F)(F)F)cc(-c3cccs3)nc12	 
O=C(O)CCC(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1	ZINC000000246361	15/39/16/431153916	ARVPDCQNTCJVSU-UHFFFAOYSA-N	-1	309.325	DG	3.033	0	Anodyne	ref	DGAARM	O=C([O-])CCC(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1	 
C[C@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)C(=O)O	ZINC000000248669	56/74/11/299567411	UDRXBMZEWXEFGZ-QMMMGPOBSA-N	-1	322.744	DG	3.177	0	Anodyne	ref	DGAARM	C[C@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)C(=O)[O-]	 
C[C@@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)C(=O)O	ZINC000000248676	20/82/31/296208231	UDRXBMZEWXEFGZ-MRVPVSSYSA-N	-1	322.744	DG	3.177	0	Anodyne	ref	DGAARM	C[C@@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)C(=O)[O-]	 
CC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1	ZINC000000258755	15/78/25/431157825	SUAJRSJQVUOCRV-UHFFFAOYSA-N	0	308.131	DG	3.497	0	Anodyne	ref	DGAARN	CC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1	 
CC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1	ZINC000000259060	15/67/20/431156720	BOWDROOLLWUTRN-UHFFFAOYSA-N	0	308.131	DG	3.497	0	Anodyne	ref	DGAARN	CC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1	 
COc1ccc(OC)c(-n2c(C)nc3cc(C(=O)O)ccc32)c1	ZINC000000266851	15/63/95/431156395	IZSCIPWVUBIODT-UHFFFAOYSA-N	0	312.325	DG	3.049	2	Anodyne	low	DGAALN	COc1ccc(OC)c(-n2c(C)[nH+]c3cc(C(=O)[O-])ccc32)c1	 
COc1ccc(OC)c(-n2c(C)nc3cc(C(=O)O)ccc32)c1	ZINC000000266851	15/63/85/431156385	IZSCIPWVUBIODT-UHFFFAOYSA-N	-1	312.325	DG	3.049	0	Anodyne	ref	DGAARM	COc1ccc(OC)c(-n2c(C)nc3cc(C(=O)[O-])ccc32)c1	 
COC(=O)CSc1nc(C(C)(C)C)cc(C(F)(F)F)n1	ZINC000000268083	15/76/63/431157663	MHTYAVSXZWTVEI-UHFFFAOYSA-N	0	308.325	DG	3.058	0	Anodyne	ref	DGAARN	COC(=O)CSc1nc(C(C)(C)C)cc(C(F)(F)F)n1	 
O=C(O)c1cnn2c(C(F)(F)F)cc(-c3ccccc3)nc12	ZINC000000312548	16/54/49/431165449	ISTITOKMPPPWKZ-UHFFFAOYSA-N	-1	307.231	DG	3.113	0	Anodyne	ref	DGAARM	O=C([O-])c1cnn2c(C(F)(F)F)cc(-c3ccccc3)nc12	 
Cc1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1Cl	ZINC000000312935	12/87/41/292128741	CNBJIPBBZOKNFY-UHFFFAOYSA-N	-1	315.712	DG	3.147	0	Anodyne	ref	DGAARM	Cc1ccc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)cc1Cl	 
Nc1nnc(SCc2cccc(Br)c2)s1	ZINC000000314222	75/69/52/180756952	HKMGFYMDYNENPV-UHFFFAOYSA-N	0	302.222	DG	3.175	0	Anodyne	ref	DGAARN	Nc1nnc(SCc2cccc(Br)c2)s1	 
Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1	ZINC000000314605	16/52/91/431165291	CDCMAMVXGZBIAX-UHFFFAOYSA-N	-1	317.197	DG	3.376	3	Anodyne	high	DGAAHM	Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1	 
Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1	ZINC000000314605	16/52/83/431165283	CDCMAMVXGZBIAX-UHFFFAOYSA-N	0	317.197	DG	3.376	0	Anodyne	ref	DGAARN	Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1	 
CCOC(=O)c1ccccc1OCc1cc(C=O)ccc1OC	ZINC000000333628	16/81/77/431168177	AVWRGULRQRPSFQ-UHFFFAOYSA-N	0	314.337	DG	3.263	0	Anodyne	ref	DGAARN	CCOC(=O)c1ccccc1OCc1cc(C=O)ccc1OC	 
CN(C)c1ccc(/C=C2/N=C(S)N(c3ccccc3)C2=O)cc1	ZINC000000349416	16/73/37/431167337	ANHDDOVYDLLMCS-FOWTUZBSSA-N	0	323.421	DG	3.426	0	Clean	ref	DGCARN	CN(C)c1ccc(C=C2NC(=S)N(c3ccccc3)C2=O)cc1	 
Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1	ZINC000000360847	17/16/33/431171633	GSWJOTSSVXCCPW-UHFFFAOYSA-N	-1	317.197	DG	3.376	3	Anodyne	high	DGAAHM	Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1	 
Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1	ZINC000000360847	17/16/26/431171626	GSWJOTSSVXCCPW-UHFFFAOYSA-N	0	317.197	DG	3.376	0	Anodyne	ref	DGAARN	Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1	 
CC(C)(C)[C@H]1CCc2c(sc(N3C(=O)C=CC3=O)c2C#N)C1	ZINC000000367172	25/90/58/277259058	ZLPOWERLRCXKMS-JTQLQIEISA-N	0	314.41	DG	3.2	0	Mild	ref	DGEARN	CC(C)(C)[C@H]1CCc2c(sc(N3C(=O)C=CC3=O)c2C#N)C1	 
CC(C)(C)[C@@H]1CCc2c(sc(N3C(=O)C=CC3=O)c2C#N)C1	ZINC000000367173	23/84/59/277238459	ZLPOWERLRCXKMS-SNVBAGLBSA-N	0	314.41	DG	3.2	0	Mild	ref	DGEARN	CC(C)(C)[C@@H]1CCc2c(sc(N3C(=O)C=CC3=O)c2C#N)C1	 
COc1ccc(C=O)cc1COc1cc(F)ccc1[N+](=O)[O-]	ZINC000000374063	77/00/65/180770065	QTKHWQMVCWMOBX-UHFFFAOYSA-N	0	305.261	DG	3.134	0	Bother	ref	DGBARN	COc1ccc(C=O)cc1COc1cc(F)ccc1[N+](=O)[O-]	 
O=C(c1sc2cc(Cl)ccc2c1Cl)N1CCNCC1	ZINC000000374513	24/67/34/280246734	RHULTVOKHWJTEB-UHFFFAOYSA-N	0	315.225	DG	3.254	1	Anodyne	mid	DGAAMN	O=C(c1sc2cc(Cl)ccc2c1Cl)N1CCNCC1	 
O=C(c1sc2cc(Cl)ccc2c1Cl)N1CCNCC1	ZINC000000374513	24/67/29/280246729	RHULTVOKHWJTEB-UHFFFAOYSA-N	1	315.225	DG	3.254	0	Anodyne	ref	DGAARO	O=C(c1sc2cc(Cl)ccc2c1Cl)N1CC[NH2+]CC1	 
C[C@H](Oc1ccc(Br)cc1Br)C(=O)O	ZINC000000393688	17/57/30/431175730	BNJNLGGUPKGAHB-YFKPBYRVSA-N	-1	323.968	DG	3.064	0	Anodyne	ref	DGAARM	C[C@H](Oc1ccc(Br)cc1Br)C(=O)[O-]	 
C[C@@H](Oc1ccc(Br)cc1Br)C(=O)O	ZINC000000393689	17/66/63/431176663	BNJNLGGUPKGAHB-RXMQYKEDSA-N	-1	323.968	DG	3.064	0	Anodyne	ref	DGAARM	C[C@@H](Oc1ccc(Br)cc1Br)C(=O)[O-]	 
Cc1cc(Cl)ccc1NCN1C(=O)c2ccccc2C1=O	ZINC000000410034	77/90/52/180779052	UYDZPXMPQGXBLR-UHFFFAOYSA-N	0	300.745	DG	3.314	0	Anodyne	ref	DGAARN	Cc1cc(Cl)ccc1NCN1C(=O)c2ccccc2C1=O	 
Cc1c(Cl)cccc1NCN1C(=O)c2ccccc2C1=O	ZINC000000410064	17/80/07/431178007	VZHGVYWTQCHMRL-UHFFFAOYSA-N	0	300.745	DG	3.314	0	Anodyne	ref	DGAARN	Cc1c(Cl)cccc1NCN1C(=O)c2ccccc2C1=O	 
COc1cccc(N2C[C@@H](c3nc4ccccc4[nH]3)CC2=O)c1	ZINC000000527348	19/53/10/431195310	LNMWKBHPTJLGRD-LBPRGKRZSA-N	0	307.353	DG	3.092	0	Anodyne	ref	DGAARN	COc1cccc(N2C[C@@H](c3nc4ccccc4[nH]3)CC2=O)c1	 
COc1cccc(N2C[C@H](c3nc4ccccc4[nH]3)CC2=O)c1	ZINC000000527349	19/49/32/431194932	LNMWKBHPTJLGRD-GFCCVEGCSA-N	0	307.353	DG	3.092	0	Anodyne	ref	DGAARN	COc1cccc(N2C[C@H](c3nc4ccccc4[nH]3)CC2=O)c1	 
CCN(CC)c1ccc(-n2nc3cc(C)c(N)cc3n2)c(C)c1	ZINC000000558600	20/29/98/431202998	SWIJHANPADYADT-UHFFFAOYSA-N	1	309.417	DG	3.466	2	Anodyne	low	DGAALO	CC[NH+](CC)c1ccc(-n2nc3cc(C)c(N)cc3n2)c(C)c1	 
CCN(CC)c1ccc(-n2nc3cc(C)c(N)cc3n2)c(C)c1	ZINC000000558600	20/29/84/431202984	SWIJHANPADYADT-UHFFFAOYSA-N	0	309.417	DG	3.466	0	Anodyne	ref	DGAARN	CCN(CC)c1ccc(-n2nc3cc(C)c(N)cc3n2)c(C)c1	 
CCOc1cc(C=O)ccc1OC(=O)c1ccc(OC)cc1	ZINC000000565983	82/30/20/180823020	FQGORJNEAKEYOZ-UHFFFAOYSA-N	0	300.31	DG	3.126	0	Anodyne	ref	DGAARN	CCOc1cc(C=O)ccc1OC(=O)c1ccc(OC)cc1	 
CCOc1ccc(N2C[C@@H](c3nc4ccccc4[nH]3)CC2=O)cc1	ZINC000000572497	20/12/27/431201227	BGLBPUSDCYOTTO-ZDUSSCGKSA-N	0	321.38	DG	3.482	0	Anodyne	ref	DGAARN	CCOc1ccc(N2C[C@@H](c3nc4ccccc4[nH]3)CC2=O)cc1	 
CCOc1ccc(N2C[C@H](c3nc4ccccc4[nH]3)CC2=O)cc1	ZINC000000572498	20/23/20/431202320	BGLBPUSDCYOTTO-CYBMUJFWSA-N	0	321.38	DG	3.482	0	Anodyne	ref	DGAARN	CCOc1ccc(N2C[C@H](c3nc4ccccc4[nH]3)CC2=O)cc1	 
Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)O)ccc2C)c1	ZINC000000582598	20/52/82/431205282	SMTIQTUIIAWELP-UHFFFAOYSA-N	-2	319.382	DG	3.111	1	Anodyne	mid	DGAAML	Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1	 
Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)O)ccc2C)c1	ZINC000000582598	20/52/76/431205276	SMTIQTUIIAWELP-UHFFFAOYSA-N	-1	319.382	DG	3.111	0	Anodyne	ref	DGAARM	Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1	 
Cc1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2C)c(C)c1	ZINC000000582897	20/39/57/431203957	ULMLOIAVGOMPKR-UHFFFAOYSA-N	-2	319.382	DG	3.111	3	Anodyne	high	DGAAHL	Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c(C)c1	 
Cc1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2C)c(C)c1	ZINC000000582897	20/39/46/431203946	ULMLOIAVGOMPKR-UHFFFAOYSA-N	-1	319.382	DG	3.111	0	Anodyne	ref	DGAARM	Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)c(C)c1	 
CCOC(=O)c1cnn2c1N[C@@H](c1ccccc1)C[C@H]2C(F)F	ZINC000001069489	84/51/70/180845170	HZUMEWYPZWQXIZ-OLZOCXBDSA-N	0	321.327	DG	3.423	0	Anodyne	ref	DGAARN	CCOC(=O)c1cnn2c1N[C@@H](c1ccccc1)C[C@H]2C(F)F	 
CCOC(=O)c1cnn2c1N[C@@H](c1ccccc1)C[C@@H]2C(F)F	ZINC000001069490	97/35/57/285973557	HZUMEWYPZWQXIZ-CHWSQXEVSA-N	0	321.327	DG	3.423	0	Anodyne	ref	DGAARN	CCOC(=O)c1cnn2c1N[C@@H](c1ccccc1)C[C@@H]2C(F)F	 
CCOC(=O)c1cnn2c1N[C@H](c1ccccc1)C[C@H]2C(F)F	ZINC000001069491	21/39/33/431213933	HZUMEWYPZWQXIZ-STQMWFEESA-N	0	321.327	DG	3.423	0	Anodyne	ref	DGAARN	CCOC(=O)c1cnn2c1N[C@H](c1ccccc1)C[C@H]2C(F)F	 
CCOC(=O)c1cnn2c1N[C@H](c1ccccc1)C[C@@H]2C(F)F	ZINC000001069492	70/01/75/500700175	HZUMEWYPZWQXIZ-QWHCGFSZSA-N	0	321.327	DG	3.423	0	Anodyne	ref	DGAARN	CCOC(=O)c1cnn2c1N[C@H](c1ccccc1)C[C@@H]2C(F)F	 
O=C(O)COc1ccc2cc(-c3ccc(F)cc3)c(=O)oc2c1	ZINC000001236739	21/59/23/431215923	REOKQVGMRXJERQ-UHFFFAOYSA-N	-1	314.268	DG	3.063	0	Anodyne	ref	DGAARM	O=C([O-])COc1ccc2cc(-c3ccc(F)cc3)c(=O)oc2c1	 
O=C1c2ccccc2C(=O)N1Cc1c(O)ccc2ccccc12	ZINC000001441476	22/57/16/431225716	WJIQLOUOBRNIBE-UHFFFAOYSA-N	-1	303.317	DG	3.342	3	Clean	high	DGCAHM	O=C1c2ccccc2C(=O)N1Cc1c([O-])ccc2ccccc12	 
O=C1c2ccccc2C(=O)N1Cc1c(O)ccc2ccccc12	ZINC000001441476	22/57/04/431225704	WJIQLOUOBRNIBE-UHFFFAOYSA-N	-1	303.317	DG	3.342	0	Clean	ref	DGCARM	O=C1c2ccccc2C(=O)N1Cc1c(O)ccc2ccccc12	 
O=C(c1cccc(Br)c1)c1ccc2c(c1)OCCO2	ZINC000001443530	22/94/32/431229432	JVBPEABCTRIHPL-UHFFFAOYSA-N	0	319.154	DG	3.451	0	Anodyne	ref	DGAARN	O=C(c1cccc(Br)c1)c1ccc2c(c1)OCCO2	 
COc1ccc2nc(-c3ccc4c(c3)OCO4)cc(C(=O)O)c2c1	ZINC000001459147	86/78/62/180867862	ZUDVFDNJNAOVQK-UHFFFAOYSA-N	-1	323.304	DG	3.337	0	Anodyne	ref	DGAARM	COc1ccc2nc(-c3ccc4c(c3)OCO4)cc(C(=O)[O-])c2c1	 
CCOc1ccc(Nc2cc([N+](=O)[O-])ccc2C(=O)O)cc1	ZINC000001635586	23/31/41/431233141	DBRBTLBVIHPZLM-UHFFFAOYSA-N	-1	302.286	DG	3.435	0	Bother	ref	DGBARM	CCOc1ccc(Nc2cc([N+](=O)[O-])ccc2C(=O)[O-])cc1	 
CN(C)CCCOc1nn(Cc2ccccc2)c2ccccc12	ZINC000002020083	24/21/90/431242190	CNBGNNVCVSKAQZ-UHFFFAOYSA-N	1	309.413	DG	3.415	0	Anodyne	ref	DGAARO	C[NH+](C)CCCOc1nn(Cc2ccccc2)c2ccccc12	world
CCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(C)cc1)C2=O	ZINC000002029110	90/65/87/180906587	IVCCHSASNFDWCQ-UHFFFAOYSA-N	0	323.348	DG	3.362	0	Anodyne	ref	DGAARN	CCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(C)cc1)C2=O	 
O[C@@]12CCCC[C@H]1[C@@H](c1ccc(Br)cc1)NCC2	ZINC000002087639	24/54/19/431245419	VQLPEFMVRAUFFW-RRFJBIMHSA-N	0	310.235	DG	3.405	3	Anodyne	high	DGAAHN	O[C@@]12CCCC[C@H]1[C@@H](c1ccc(Br)cc1)NCC2	 
O[C@@]12CCCC[C@H]1[C@@H](c1ccc(Br)cc1)NCC2	ZINC000002087639	24/54/08/431245408	VQLPEFMVRAUFFW-RRFJBIMHSA-N	1	310.235	DG	3.405	0	Anodyne	ref	DGAARO	O[C@@]12CCCC[C@H]1[C@@H](c1ccc(Br)cc1)[NH2+]CC2	 
CCCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)O)ccc12	ZINC000002147842	24/65/96/431246596	ZVRGYRUCBJTRFP-NSHDSACASA-N	-1	304.342	DG	3.296	0	Anodyne	ref	DGAARM	CCCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)[O-])ccc12	 
CCCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)O)ccc12	ZINC000002147845	24/39/96/431243996	ZVRGYRUCBJTRFP-LLVKDONJSA-N	-1	304.342	DG	3.296	0	Anodyne	ref	DGAARM	CCCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)[O-])ccc12	 
Cc1cc(C(F)(F)F)nc(SCc2ccc(C(=O)O)o2)n1	ZINC000002236681	91/61/94/180916194	NQTKTDJZTAKSLU-UHFFFAOYSA-N	-1	318.276	DG	3.387	0	Anodyne	ref	DGAARM	Cc1cc(C(F)(F)F)nc(SCc2ccc(C(=O)[O-])o2)n1	 
CCCCc1cc(=O)oc2cc(C)cc(O[C@@H](C)C(=O)O)c12	ZINC000002378283	25/18/75/431251875	CQMKXRSRPTYYJJ-NSHDSACASA-N	-1	304.342	DG	3.296	0	Anodyne	ref	DGAARM	CCCCc1cc(=O)oc2cc(C)cc(O[C@@H](C)C(=O)[O-])c12