Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1	ZINC000000167279	30/75/26/368307526	ISCOPRCGERKPKL-UHFFFAOYSA-N	0	254.211	CG	3.475	0	Clean	ref	CGCARN	Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1	 
COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000000168471	30/73/37/368307337	AYTAXIQGKJKPFT-UHFFFAOYSA-N	0	257.245	CG	3.048	0	Bother	ref	CGBARN	COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1	 
O=C(O)c1cccnc1SCc1ccc(F)cc1	ZINC000000415197	36/09/97/368360997	NKKMJXDCMFNXOS-UHFFFAOYSA-N	-1	263.293	CG	3.211	0	Anodyne	ref	CGAARM	O=C([O-])c1cccnc1SCc1ccc(F)cc1	 
CC(=O)c1ccc(N2Cc3ccccc3C2=O)cc1	ZINC000000494178	37/89/43/368378943	GPQDDMWXQCKJCQ-UHFFFAOYSA-N	0	251.285	CG	3.05	0	Anodyne	ref	CGAARN	CC(=O)c1ccc(N2Cc3ccccc3C2=O)cc1	 
O=C(O)c1cc(-c2ccccc2)nn1-c1ccccc1	ZINC000000732360	39/36/80/368393680	QRARAAONIFSAIX-UHFFFAOYSA-N	-1	264.284	CG	3.238	0	Anodyne	ref	CGAARM	O=C([O-])c1cc(-c2ccccc2)nn1-c1ccccc1	 
O=S(=O)(/C=C/c1ccccc1)c1ccc(F)cc1	ZINC000001725446	43/56/25/368435625	CTOFVADTPVXQBQ-ZHACJKMWSA-N	0	262.305	CG	3.27	0	Anodyne	ref	CGABRN	O=S(=O)(/C=C/c1ccccc1)c1ccc(F)cc1	 
O=C(O)[C@@H]1CCC[C@H]1C(=O)c1ccc(Br)cc1	ZINC000002574452	46/69/98/368466998	BVTWSRUFFHBCHO-GHMZBOCLSA-N	-1	297.148	CG	3.133	0	Anodyne	ref	CGAARM	O=C([O-])[C@@H]1CCC[C@H]1C(=O)c1ccc(Br)cc1	 
CCOC(=O)c1[nH]c2ccccc2c1Br	ZINC000002597193	46/91/15/368469115	DRJWEOYWZOGNQU-UHFFFAOYSA-N	0	268.11	CG	3.107	0	Anodyne	ref	CGAARN	CCOC(=O)c1[nH]c2ccccc2c1Br	 
CCOC(=O)c1c(NC(C)=O)sc2ccccc12	ZINC000003124039	44/32/33/276443233	DXSZZVLIKNFFIF-UHFFFAOYSA-N	0	263.318	CG	3.036	0	Anodyne	ref	CGAARN	CCOC(=O)c1c(NC(C)=O)sc2ccccc12	 
CC(C)n1ncc2c(C(=O)O)cc(-c3ccccc3)nc21	ZINC000003415995	79/67/12/280796712	FVWHXCPGGVRTCS-UHFFFAOYSA-N	-1	281.315	CG	3.377	0	Anodyne	ref	CGAARM	CC(C)n1ncc2c(C(=O)[O-])cc(-c3ccccc3)nc21	 
CC(C)n1ncc2c(C(=O)O)cc(-c3cccs3)nc21	ZINC000003882667	92/00/30/169920030	YFJWBRWVCCDXGH-UHFFFAOYSA-N	-1	287.344	CG	3.439	0	Anodyne	ref	CGAARM	CC(C)n1ncc2c(C(=O)[O-])cc(-c3cccs3)nc21	 
O=C(O)c1cc(-c2cccs2)nn1-c1ccccc1	ZINC000003886068	01/34/10/260013410	JLKPYSTVZVLINY-UHFFFAOYSA-N	-1	270.313	CG	3.299	0	Anodyne	ref	CGAARM	O=C([O-])c1cc(-c2cccs2)nn1-c1ccccc1	 
O=[N+]([O-])c1ccc(-c2cc(C(F)(F)F)[nH]n2)cc1	ZINC000004137086	53/25/97/368532597	KYOCIIJIVXLVDR-UHFFFAOYSA-N	0	257.171	CG	3.004	1	Bother	mid	CGBAMN	O=[N+]([O-])c1ccc(-c2cc(C(F)(F)F)n[nH]2)cc1	 
O=[N+]([O-])c1ccc(-c2cc(C(F)(F)F)[nH]n2)cc1	ZINC000004137086	53/25/92/368532592	KYOCIIJIVXLVDR-UHFFFAOYSA-N	0	257.171	CG	3.004	0	Bother	ref	CGBARN	O=[N+]([O-])c1ccc(-c2cc(C(F)(F)F)[nH]n2)cc1	 
COc1ccc(C)cc1-n1nc(C(C)(C)C)cc1N	ZINC000004243163	53/76/71/368537671	VVCPDNSTSYUNLP-UHFFFAOYSA-N	0	259.353	CG	3.069	0	Anodyne	ref	CGABRN	COc1ccc(C)cc1-n1nc(C(C)(C)C)cc1N	 
CCOC(=O)c1oc2c(c1C)-c1nc(C)sc1CC2	ZINC000005205303	30/46/50/276304650	CLOKTMIOVDKGCA-UHFFFAOYSA-N	0	277.345	CG	3.295	0	Anodyne	ref	CGAARN	CCOC(=O)c1oc2c(c1C)-c1nc(C)sc1CC2	 
O=C(OCc1ccccc1)N1CCc2ccccc21	ZINC000006701706	22/94/74/170229474	NWNPYJBRVCYRMG-UHFFFAOYSA-N	0	253.301	CG	3.386	0	Anodyne	ref	CGAARN	O=C(OCc1ccccc1)N1CCc2ccccc21	 
O=C(O)c1c(C(F)(F)F)cc(Cl)nc1Cl	ZINC000008764122	21/72/14/304217214	PZBCYMXYIZQNFE-UHFFFAOYSA-N	-1	259.998	CG	3.105	0	Anodyne	ref	CGAARM	O=C([O-])c1c(C(F)(F)F)cc(Cl)nc1Cl	 
COC(=O)c1ccccc1Sc1ccc(C=O)cc1	ZINC000008764134	87/48/42/344874842	DMPXTIXGQZELEN-UHFFFAOYSA-N	0	272.325	CG	3.437	0	Anodyne	ref	CGABRN	COC(=O)c1ccccc1Sc1ccc(C=O)cc1	 
Cc1ccc(C)n1-c1ccc(Br)cn1	ZINC000008764194	60/36/66/397603666	QWMFKVNJIYNWII-UHFFFAOYSA-N	0	251.127	CG	3.252	0	Clean	ref	CGCARN	Cc1ccc(C)n1-c1ccc(Br)cn1	 
CC(C)c1cc(C(=O)O)nn1-c1nc2ccccc2s1	ZINC000011802079	58/39/17/280583917	SVGSOLSFCRDEHF-UHFFFAOYSA-N	-1	287.344	CG	3.304	0	Anodyne	ref	CGAARM	CC(C)c1cc(C(=O)[O-])nn1-c1nc2ccccc2s1	 
Nc1ccc(Oc2ccnc(C(F)(F)F)c2)cc1	ZINC000011919374	45/87/42/170458742	HCMGGNYWVPXPBC-UHFFFAOYSA-N	0	254.211	CG	3.475	0	Clean	ref	CGCBRN	Nc1ccc(Oc2ccnc(C(F)(F)F)c2)cc1	 
CC(C)(C)c1cc(N)n(-c2cc(F)cc(F)c2)n1	ZINC000011919423	60/01/27/368600127	OSSKEBRAVLCNIU-UHFFFAOYSA-N	0	251.28	CG	3.03	0	Anodyne	ref	CGABRN	CC(C)(C)c1cc(N)n(-c2cc(F)cc(F)c2)n1	 
O=C(c1ccc(Br)cc1)[C@H]1CCC[C@H]1C(=O)O	ZINC000011919438	11/75/95/304117595	BVTWSRUFFHBCHO-WDEREUQCSA-N	-1	297.148	CG	3.133	0	Anodyne	ref	CGABRM	O=C(c1ccc(Br)cc1)[C@H]1CCC[C@H]1C(=O)[O-]	 
O=C(O)[C@H]1CCC[C@@H]1C(=O)c1ccc(Br)cc1	ZINC000011919439	45/86/43/170458643	BVTWSRUFFHBCHO-QWRGUYRKSA-N	-1	297.148	CG	3.133	0	Anodyne	ref	CGABRM	O=C([O-])[C@H]1CCC[C@@H]1C(=O)c1ccc(Br)cc1	 
O=C(O)[C@H]1CCC[C@H]1C(=O)c1ccc(Br)cc1	ZINC000011919440	19/03/74/304190374	BVTWSRUFFHBCHO-MNOVXSKESA-N	-1	297.148	CG	3.133	0	Anodyne	ref	CGABRM	O=C([O-])[C@H]1CCC[C@H]1C(=O)c1ccc(Br)cc1	 
COc1c(OCc2ccccc2)ccc(C#N)c1[N+](=O)[O-]	ZINC000011919452	59/92/63/368599263	JIBYLEHMPLQLTB-UHFFFAOYSA-N	0	284.271	CG	3.054	0	Mild	ref	CGEBRN	COc1c(OCc2ccccc2)ccc(C#N)c1[N+](=O)[O-]	 
O=c1[nH]c(Nc2cccc(Cl)c2)nc2ccccc12	ZINC000011920661	59/97/97/368599797	OOHDYSCTHXJBCJ-UHFFFAOYSA-N	0	271.707	CG	3.32	0	Anodyne	ref	CGAARN	O=c1[nH]c(Nc2cccc(Cl)c2)nc2ccccc12	 
O=C(O)c1[nH]c2ccc(Br)cc2c1Cl	ZINC000019770078	21/60/89/304216089	ZRJFJUYTJUUOAI-UHFFFAOYSA-N	-1	274.501	CG	3.282	0	Anodyne	ref	CGAARM	O=C([O-])c1[nH]c2ccc(Br)cc2c1Cl	 
OCc1csc(-c2cccc(Br)c2)n1	ZINC000024014270	82/67/96/368826796	HXKGKOOGVICYBT-UHFFFAOYSA-N	0	270.151	CG	3.065	0	Anodyne	ref	CGAARN	OCc1csc(-c2cccc(Br)c2)n1	 
CC(C)(C)OC(=O)N[C@@]12CC[C@@](C)(C(=O)C1)C2(C)C	ZINC000026441617	44/16/05/278441605	JYADUEFJZHSMQH-GJZGRUSLSA-N	0	267.369	CG	3.049	0	Anodyne	ref	CGAARN	CC(C)(C)OC(=O)N[C@@]12CC[C@@](C)(C(=O)C1)C2(C)C	 
Cn1c(C(=O)O)c(Cl)c2cc(Br)ccc21	ZINC000026461627	90/07/56/302900756	GOEDPNDRUSDMEP-UHFFFAOYSA-N	-1	288.528	CG	3.292	0	Anodyne	ref	CGAARM	Cn1c(C(=O)[O-])c(Cl)c2cc(Br)ccc21	 
NC[C@H](c1ccccc1Cl)N1CCCCCC1	ZINC000038526552	14/67/19/369146719	ZWIQYOYNKDZSIM-CQSZACIVSA-N	0	252.789	CG	3.216	3	Anodyne	high	CGAAHN	NC[C@H](c1ccccc1Cl)N1CCCCCC1	 
NC[C@H](c1ccccc1Cl)N1CCCCCC1	ZINC000038526552	14/67/12/369146712	ZWIQYOYNKDZSIM-CQSZACIVSA-N	2	252.789	CG	3.216	2	Anodyne	low	CGAALP	[NH3+]C[C@H](c1ccccc1Cl)[NH+]1CCCCCC1	 
NC[C@H](c1ccccc1Cl)N1CCCCCC1	ZINC000038526552	14/67/06/369146706	ZWIQYOYNKDZSIM-CQSZACIVSA-N	1	252.789	CG	3.216	0	Anodyne	ref	CGAARO	[NH3+]C[C@H](c1ccccc1Cl)N1CCCCCC1	 
NC[C@@H](c1ccccc1Cl)N1CCCCCC1	ZINC000038526553	14/66/70/369146670	ZWIQYOYNKDZSIM-AWEZNQCLSA-N	0	252.789	CG	3.216	3	Anodyne	high	CGAAHN	NC[C@@H](c1ccccc1Cl)N1CCCCCC1	 
NC[C@@H](c1ccccc1Cl)N1CCCCCC1	ZINC000038526553	14/66/61/369146661	ZWIQYOYNKDZSIM-AWEZNQCLSA-N	2	252.789	CG	3.216	2	Anodyne	low	CGAALP	[NH3+]C[C@@H](c1ccccc1Cl)[NH+]1CCCCCC1	 
NC[C@@H](c1ccccc1Cl)N1CCCCCC1	ZINC000038526553	14/66/49/369146649	ZWIQYOYNKDZSIM-AWEZNQCLSA-N	1	252.789	CG	3.216	0	Anodyne	ref	CGAARO	[NH3+]C[C@@H](c1ccccc1Cl)N1CCCCCC1	 
Oc1ccc(-c2nc(COc3ccccc3)no2)cc1	ZINC000040165583	19/74/46/174197446	QUCFCMUHCWARLZ-UHFFFAOYSA-N	-1	268.272	CG	3.021	3	Anodyne	high	CGABHM	[O-]c1ccc(-c2nc(COc3ccccc3)no2)cc1	 
Oc1ccc(-c2nc(COc3ccccc3)no2)cc1	ZINC000040165583	19/74/44/174197444	QUCFCMUHCWARLZ-UHFFFAOYSA-N	0	268.272	CG	3.021	0	Anodyne	ref	CGABRN	Oc1ccc(-c2nc(COc3ccccc3)no2)cc1	 
Oc1cccc(-c2nc(COc3ccccc3)no2)c1	ZINC000040542130	61/10/13/397611013	QRNVMKMUAJBYGD-UHFFFAOYSA-N	0	268.272	CG	3.021	0	Anodyne	ref	CGABRN	Oc1cccc(-c2nc(COc3ccccc3)no2)c1	 
CC(C)COc1ccc(-c2cc(C(=O)O)no2)cc1	ZINC000041350453	18/24/47/369182447	BVTHBANGWIKQSO-UHFFFAOYSA-N	-1	261.277	CG	3.075	0	Anodyne	ref	CGABRM	CC(C)COc1ccc(-c2cc(C(=O)[O-])no2)cc1	 
C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000044018814	61/79/28/397617928	RQAKQKFPWMUVKB-NSHDSACASA-N	0	270.288	CG	3.337	0	Bother	ref	CGBBRN	C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1	 
C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000044018816	61/81/56/397618156	RQAKQKFPWMUVKB-LLVKDONJSA-N	0	270.288	CG	3.337	0	Bother	ref	CGBBRN	C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1	 
Nc1ccccc1N1CCC(C(=O)Nc2ccccc2)CC1	ZINC000044831523	01/74/57/345017457	VCMZGBOGTRZLSU-UHFFFAOYSA-N	0	295.386	CG	3.124	0	Anodyne	ref	CGABRN	Nc1ccccc1N1CCC(C(=O)Nc2ccccc2)CC1	 
Cc1c(C(=O)O)c(C(F)(F)F)nn1Cc1cccs1	ZINC000044831532	01/72/00/345017200	GLCZSMRZLYJXLC-UHFFFAOYSA-N	-1	290.266	CG	3.018	0	Anodyne	ref	CGABRM	Cc1c(C(=O)[O-])c(C(F)(F)F)nn1Cc1cccs1	 
CCOC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C	ZINC000044831539	01/71/80/345017180	LMGGRSOVDPRBAB-UHFFFAOYSA-N	0	298.264	CG	3.376	0	Anodyne	ref	CGABRN	CCOC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C	 
Cc1c(C(=O)O)c(C(F)(F)F)nn1C1CCCC1	ZINC000044831545	01/74/18/345017418	BUQZPMDRMJKUIP-UHFFFAOYSA-N	-1	262.231	CG	3.024	0	Anodyne	ref	CGABRM	Cc1c(C(=O)[O-])c(C(F)(F)F)nn1C1CCCC1	 
Cc1noc2nc(/C=C/c3ccccc3)cc(C(=O)O)c12	ZINC000064876001	66/28/78/369662878	UFMSJAYIQMZXSR-BQYQJAHWSA-N	-1	280.283	CG	3.4	0	Anodyne	ref	CGABRM	Cc1noc2nc(/C=C/c3ccccc3)cc(C(=O)[O-])c12	 
Cc1noc2nc(/C=C/c3cccs3)cc(C(=O)O)c12	ZINC000064876008	66/24/06/369662406	NOGKMEZDFFKQHW-SNAWJCMRSA-N	-1	286.312	CG	3.461	0	Anodyne	ref	CGABRM	Cc1noc2nc(/C=C/c3cccs3)cc(C(=O)[O-])c12	 
Cc1nn(C)c2nc(/C=C/c3ccccc3)cc(C(=O)O)c12	ZINC000064876011	68/25/64/527682564	XJZVQJLSRFWWGC-CMDGGOBGSA-N	-1	293.326	CG	3.145	0	Anodyne	ref	CGABRM	Cc1nn(C)c2nc(/C=C/c3ccccc3)cc(C(=O)[O-])c12	 
CC(C)(C)c1[nH]nc(C(F)(F)F)c1Br	ZINC000238115784	20/59/70/260205970	AJSUQONSUOXPKI-UHFFFAOYSA-N	0	271.08	CG	3.489	0	Anodyne	ref	CGABRN	CC(C)(C)c1[nH]nc(C(F)(F)F)c1Br	 
Oc1cc(O)c(-c2cc(F)ccc2F)c(Cl)n1	ZINC000585090210	72/47/81/346724781	MTPLJZQUUVDOTH-UHFFFAOYSA-N	-1	257.623	CG	3.091	3	Anodyne	high	CGABHM	O=c1cc([O-])[nH]c(Cl)c1-c1cc(F)ccc1F	 
Oc1cc(O)c(-c2cc(F)ccc2F)c(Cl)n1	ZINC000585090210	72/47/79/346724779	MTPLJZQUUVDOTH-UHFFFAOYSA-N	-1	257.623	CG	3.091	1	Anodyne	mid	CGABMM	O=c1cc([O-])c(-c2cc(F)ccc2F)c(Cl)[nH]1	 
Oc1cc(O)c(-c2cc(F)ccc2F)c(Cl)n1	ZINC000585090210	72/47/77/346724777	MTPLJZQUUVDOTH-UHFFFAOYSA-N	0	257.623	CG	3.091	0	Anodyne	ref	CGABRN	O=c1cc(O)c(-c2cc(F)ccc2F)c(Cl)[nH]1	 
Oc1cc(O)c(-c2ccc(F)c(F)c2)c(Cl)n1	ZINC000585090244	72/47/54/346724754	UGKZQOVLCOZIPX-UHFFFAOYSA-N	-1	257.623	CG	3.091	3	Anodyne	high	CGABHM	O=c1cc([O-])c(-c2ccc(F)c(F)c2)c(Cl)[nH]1	 
Oc1cc(O)c(-c2ccc(F)c(F)c2)c(Cl)n1	ZINC000585090244	72/47/52/346724752	UGKZQOVLCOZIPX-UHFFFAOYSA-N	-1	257.623	CG	3.091	3	Anodyne	high	CGABHM	O=c1cc([O-])[nH]c(Cl)c1-c1ccc(F)c(F)c1	 
Oc1cc(O)c(-c2ccc(F)c(F)c2)c(Cl)n1	ZINC000585090244	72/47/50/346724750	UGKZQOVLCOZIPX-UHFFFAOYSA-N	0	257.623	CG	3.091	0	Anodyne	ref	CGABRN	O=c1cc(O)c(-c2ccc(F)c(F)c2)c(Cl)[nH]1