NC(=O)COc1ccc(/C=N/NC(N)=S)cc1	ZINC000000564316	30/16/59/351301659	KBSCJUZOUXOAKM-WLRTZDKTSA-N	0	252.299	CB	-0.282	0	Mild	ref	CBEARN	NC(=O)COc1ccc(/C=N/NC(N)=S)cc1	 
NC(=O)COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1	ZINC000004676919	32/01/50/351320150	SKSULFQVPJDVPC-UHFFFAOYSA-N	0	289.247	CB	-0.7	1	Clean	mid	CBCAMN	NC(=O)COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1	 
NC(=O)COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1	ZINC000004676919	32/01/42/351320142	SKSULFQVPJDVPC-UHFFFAOYSA-N	-1	289.247	CB	-0.7	0	Clean	ref	CBCARM	NC(=O)COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1	 
NC(=O)COc1ccc(/C=C2\NC(=O)NC2=O)cc1	ZINC000015012698	34/00/92/351340092	TZSYKHSPQWADBE-UITAMQMPSA-N	0	261.237	CB	-0.269	1	Anodyne	mid	CBAAMN	NC(=O)COc1ccc(/C=C2\NC(=O)NC2=O)cc1	 
NC(=O)COc1ccc(/C=C2\NC(=O)NC2=O)cc1	ZINC000015012698	34/00/84/351340084	TZSYKHSPQWADBE-UITAMQMPSA-N	-1	261.237	CB	-0.269	0	Anodyne	ref	CBAARM	NC(=O)COc1ccc(/C=C2\NC(=O)[N-]C2=O)cc1	 
COc1cc(/C=C2\NC(=O)NC2=O)ccc1OCC(N)=O	ZINC000015012705	34/05/19/351340519	MNVDJJMJHWDWJV-YWEYNIOJSA-N	0	291.263	CB	-0.26	1	Anodyne	mid	CBAAMN	COc1cc(/C=C2\NC(=O)NC2=O)ccc1OCC(N)=O	 
COc1cc(/C=C2\NC(=O)NC2=O)ccc1OCC(N)=O	ZINC000015012705	34/05/13/351340513	MNVDJJMJHWDWJV-YWEYNIOJSA-N	-1	291.263	CB	-0.26	0	Anodyne	ref	CBAARM	COc1cc(/C=C2\NC(=O)[N-]C2=O)ccc1OCC(N)=O	 
Cn1c(CN2CCOCC2)nnc1SCC(N)=O	ZINC000019799301	35/23/44/351352344	JEYUFFOOEKZEHR-UHFFFAOYSA-N	0	271.346	CB	-0.775	0	Anodyne	ref	CBAARN	Cn1c(CN2CCOCC2)nnc1SCC(N)=O	 
O=C(NCCO)c1nn(-c2ccccc2)nc1CO	ZINC000020869297	27/72/09/171277209	YTHNIGWVZOZYMI-UHFFFAOYSA-N	0	262.269	CB	-0.518	0	Anodyne	ref	CBAARN	O=C(NCCO)c1nn(-c2ccccc2)nc1CO	 
O=C(NCCO)c1nn(-c2ccc(F)cc2)nc1CO	ZINC000020869355	27/71/67/171277167	KRNJKULWSJVDBC-UHFFFAOYSA-N	0	280.259	CB	-0.379	0	Anodyne	ref	CBAARN	O=C(NCCO)c1nn(-c2ccc(F)cc2)nc1CO	 
CCc1nnc(NC=C2C(=O)NC(=S)NC2=O)s1	ZINC000023114576	35/77/03/351357703	CQHBVHQLPLJVOP-UHFFFAOYSA-N	-1	283.338	CB	-0.073	1	Clean	mid	CBCAMM	CCc1nnc(NC=C2C(=O)[N-]C(=S)NC2=O)s1	 
CCc1nnc(NC=C2C(=O)NC(=S)NC2=O)s1	ZINC000023114576	35/76/97/351357697	CQHBVHQLPLJVOP-UHFFFAOYSA-N	0	283.338	CB	-0.073	0	Clean	ref	CBCARN	CCc1nnc(NC=C2C(=O)NC(=S)NC2=O)s1	 
CSC1=NC(=O)C2=c3ccccc3=N[C@@H](C)N2N1	ZINC000196348031	12/68/78/582126878	BUNOHVHKXCJDDH-SSDOTTSWSA-N	0	260.322	CB	-0.16	0	Anodyne	ref	CBABRN	CSC1=NC(=O)C2=c3ccccc3=N[C@@H](C)N2N1	 
CSC1=NC(=O)C2=c3ccccc3=N[C@H](C)N2N1	ZINC000196348040	12/68/16/582126816	BUNOHVHKXCJDDH-ZETCQYMHSA-N	0	260.322	CB	-0.16	0	Anodyne	ref	CBABRN	CSC1=NC(=O)C2=c3ccccc3=N[C@H](C)N2N1