CC(=O)Nc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1	ZINC000000046995	95/00/00/435950000	JMXVNPSYSCNIJL-UHFFFAOYSA-N	0	325.39	EC	0.531	0	Anodyne	ref	ECAARN	CC(=O)Nc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1	 
CC[C@H]1C(=O)NCCN1C(=S)NC(=O)c1ccccc1[N+](=O)[O-]	ZINC000000082291	40/81/76/209408176	FDYYLUKIFCVSRP-JTQLQIEISA-N	0	336.373	EC	0.82	0	Bother	ref	ECBARN	CC[C@H]1C(=O)NCCN1C(=S)NC(=O)c1ccccc1[N+](=O)[O-]	 
CC[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1ccccc1[N+](=O)[O-]	ZINC000000082295	94/87/96/435948796	FDYYLUKIFCVSRP-SNVBAGLBSA-N	0	336.373	EC	0.82	0	Bother	ref	ECBARN	CC[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1ccccc1[N+](=O)[O-]	 
O=C(O)/C=C/C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000000134207	94/97/61/435949761	FCZQPDJNVDOUNL-AATRIKPKSA-N	-1	340.357	EC	0.287	0	Anodyne	ref	ECAARM	O=C([O-])/C=C/C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	 
Nc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1	ZINC000000143548	94/97/85/435949785	GCQZFVAHUZIDRP-UHFFFAOYSA-N	-1	327.387	EC	0.717	3	Anodyne	high	ECAAHM	Nc1ccc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)cc2)cc1	 
Nc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1	ZINC000000143548	94/97/74/435949774	GCQZFVAHUZIDRP-UHFFFAOYSA-N	0	327.387	EC	0.717	0	Anodyne	ref	ECAARN	Nc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1	 
Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(F)cc2)n(C)c1=O	ZINC000000263569	50/99/08/209509908	NWZJCZGEOSARQH-UHFFFAOYSA-N	0	331.307	EC	0.211	0	Anodyne	ref	ECAARN	Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(F)cc2)n(C)c1=O	 
Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(F)cc2F)n(C)c1=O	ZINC000000263687	95/35/51/435953551	WDEHPLMHKQYELU-UHFFFAOYSA-N	0	349.297	EC	0.351	0	Anodyne	ref	ECAARN	Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(F)cc2F)n(C)c1=O	 
CC(=O)NC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000000615330	95/44/51/435954451	CJMADAJQMPNXQR-UHFFFAOYSA-N	0	343.43	EC	0.54	0	Anodyne	ref	ECAARN	CC(=O)NC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	 
CC(C)C(=O)NC(=S)Nc1ccc(S(=O)(=O)N=C(N)N)cc1	ZINC000002137072	96/54/78/435965478	VWYIGWVDFLOUJQ-UHFFFAOYSA-N	0	343.434	EC	0.118	0	Mild	ref	ECEARN	CC(C)C(=O)NC(=S)Nc1ccc(S(=O)(=O)N=C(N)N)cc1	 
COC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1cccs1	ZINC000002887758	93/77/32/209937732	XIVICEUXWUMOST-QMMMGPOBSA-N	0	341.414	EC	0.126	0	Anodyne	ref	ECAARN	COC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1cccs1	 
COC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1cccs1	ZINC000002887760	93/81/17/209938117	XIVICEUXWUMOST-MRVPVSSYSA-N	0	341.414	EC	0.126	0	Anodyne	ref	ECAARN	COC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1cccs1	 
CCOC(=O)/C=C/C(=O)Nc1ccc(S(=O)(=O)NC(C)=O)cc1	ZINC000002980586	97/22/03/435972203	KKTJDCVDFPLIMU-CMDGGOBGSA-N	-1	340.357	EC	0.569	0	Anodyne	ref	ECAARM	CCOC(=O)/C=C/C(=O)Nc1ccc(S(=O)(=O)[N-]C(C)=O)cc1	 
COC(=O)CCC(=O)Nc1ccc(S(=O)(=O)NC(C)=O)cc1	ZINC000003040327	96/98/59/435969859	OKBFJQRHQVWHNV-UHFFFAOYSA-N	-1	328.346	EC	0.403	0	Anodyne	ref	ECAARM	COC(=O)CCC(=O)Nc1ccc(S(=O)(=O)[N-]C(C)=O)cc1	 
Cc1ccc(NN=C2C(=O)NC(=O)NC2=O)cc1Br	ZINC000004309431	97/84/82/435978482	RVIKGIFTIXAYFE-UHFFFAOYSA-N	0	325.122	EC	0.891	2	Mild	low	ECEALN	Cc1ccc(NN=C2C(=O)NC(=O)NC2=O)cc1Br	 
Cc1ccc(NN=C2C(=O)NC(=O)NC2=O)cc1Br	ZINC000004309431	97/84/70/435978470	RVIKGIFTIXAYFE-UHFFFAOYSA-N	-1	325.122	EC	0.891	0	Mild	ref	ECEARM	Cc1ccc(NN=C2C(=O)[N-]C(=O)NC2=O)cc1Br	 
CC(C)(C)OC(=O)N1CCNC(=O)[C@@H]1CC(=O)OC[C@@H]1CCCO1	ZINC000004943964	33/47/59/210334759	IVPRTKUAVCJCST-RYUDHWBXSA-N	0	342.392	EC	0.834	0	Anodyne	ref	ECAARN	CC(C)(C)OC(=O)N1CCNC(=O)[C@@H]1CC(=O)OC[C@@H]1CCCO1	 
CC(C)(C)OC(=O)N1CCNC(=O)[C@H]1CC(=O)OC[C@@H]1CCCO1	ZINC000004943965	40/05/63/278400563	IVPRTKUAVCJCST-NWDGAFQWSA-N	0	342.392	EC	0.834	0	Anodyne	ref	ECAARN	CC(C)(C)OC(=O)N1CCNC(=O)[C@H]1CC(=O)OC[C@@H]1CCCO1	 
CC(C)(C)OC(=O)N1CCNC(=O)[C@@H]1CC(=O)OC[C@H]1CCCO1	ZINC000004943966	33/51/41/210335141	IVPRTKUAVCJCST-NEPJUHHUSA-N	0	342.392	EC	0.834	0	Anodyne	ref	ECAARN	CC(C)(C)OC(=O)N1CCNC(=O)[C@@H]1CC(=O)OC[C@H]1CCCO1	 
CC(C)(C)OC(=O)N1CCNC(=O)[C@H]1CC(=O)OC[C@H]1CCCO1	ZINC000004943967	33/46/28/210334628	IVPRTKUAVCJCST-VXGBXAGGSA-N	0	342.392	EC	0.834	0	Anodyne	ref	ECAARN	CC(C)(C)OC(=O)N1CCNC(=O)[C@H]1CC(=O)OC[C@H]1CCCO1	 
CC1(C)OC(=O)C(=CNc2ccc(S(N)(=O)=O)cc2)C(=O)O1	ZINC000010120826	15/00/13/211150013	WTMCMTFEJDQVAZ-UHFFFAOYSA-N	0	326.33	EC	0.466	1	Clean	mid	ECCAMN	CC1(C)OC(=O)C(=CNc2ccc(S(N)(=O)=O)cc2)C(=O)O1	 
CC1(C)OC(=O)C(=CNc2ccc(S(N)(=O)=O)cc2)C(=O)O1	ZINC000010120826	15/00/11/211150011	WTMCMTFEJDQVAZ-UHFFFAOYSA-N	0	326.33	EC	0.466	0	Clean	ref	ECCARN	CC1(C)OC(=O)C(C=Nc2ccc(S(N)(=O)=O)cc2)C(=O)O1	 
COc1cc([N+](=O)[O-])ccc1N/N=C1\C(=O)N(C(N)=S)N=C1C	ZINC000012275901	33/39/19/211333919	HHUGPGJPHMWJCQ-GDNBJRDFSA-N	0	336.333	EC	0.833	0	Mild	ref	ECEARN	COc1cc([N+](=O)[O-])ccc1NN=C1C(=O)N(C(N)=S)N=C1C	 
N#C/C(=N/Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C(N)=O	ZINC000012374500	35/82/48/211358248	MDCVYAWWDSJNGB-AQTBWJFISA-N	0	335.389	EC	0.638	0	Mild	ref	ECEARN	N#CC(=NNc1ccc(S(=O)(=O)N2CCCCC2)cc1)C(N)=O	 
COC(=O)/C(C#N)=N\Nc1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000012403973	05/01/39/436050139	RLPIXPBKJOCQKR-LGMDPLHJSA-N	-1	336.373	EC	0.936	3	Mild	high	ECEAHM	COC(=O)C(C#N)=N[N-]c1ccc(S(=O)(=O)N2CCCC2)cc1	 
COC(=O)/C(C#N)=N\Nc1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000012403973	05/01/26/436050126	RLPIXPBKJOCQKR-LGMDPLHJSA-N	0	336.373	EC	0.936	0	Mild	ref	ECEARN	COC(=O)C(C#N)=NNc1ccc(S(=O)(=O)N2CCCC2)cc1	 
COc1ccc(/C=C(\NC(C)=O)C(=O)N2CCN(C)CC2)cc1OC	ZINC000012404096	36/90/06/211369006	FMLCAJXWCWGGIK-PTNGSMBKSA-N	1	347.415	EC	0.955	1	Anodyne	mid	ECAAMO	COc1ccc(/C=C(\NC(C)=O)C(=O)N2CC[NH+](C)CC2)cc1OC	 
COc1ccc(/C=C(\NC(C)=O)C(=O)N2CCN(C)CC2)cc1OC	ZINC000012404096	36/90/01/211369001	FMLCAJXWCWGGIK-PTNGSMBKSA-N	0	347.415	EC	0.955	0	Anodyne	ref	ECAARN	COc1ccc(/C=C(\NC(C)=O)C(=O)N2CCN(C)CC2)cc1OC	 
CCOC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(OC)c(OC)c1	ZINC000055008594	26/38/26/214263826	LTDYDEIMJGYYLO-CYBMUJFWSA-N	0	336.388	EC	0.957	0	Anodyne	ref	ECAARN	CCOC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(OC)c(OC)c1	 
CCOC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(OC)c(OC)c1	ZINC000055008595	56/37/31/436563731	LTDYDEIMJGYYLO-ZDUSSCGKSA-N	0	336.388	EC	0.957	0	Anodyne	ref	ECAARN	CCOC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(OC)c(OC)c1	 
CCOC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(OC)cc1OC	ZINC000055421996	32/35/19/214323519	ILYQCDYWLJHIMH-CQSZACIVSA-N	0	336.388	EC	0.957	0	Anodyne	ref	ECAARN	CCOC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(OC)cc1OC	 
CCOC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(OC)cc1OC	ZINC000055422000	32/36/04/214323604	ILYQCDYWLJHIMH-AWEZNQCLSA-N	0	336.388	EC	0.957	0	Anodyne	ref	ECAARN	CCOC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(OC)cc1OC	 
CC1CCN(S(=O)(=O)c2ccc(N/N=C(/C#N)C(N)=O)cc2)CC1	ZINC000100008609	08/84/02/219088402	VEYZXKXNLRJVCK-RGEXLXHISA-N	0	349.416	EC	0.884	0	Mild	ref	ECEARN	CC1CCN(S(=O)(=O)c2ccc(NN=C(C#N)C(N)=O)cc2)CC1	 
CC(=O)N(C)c1ccc(N/N=C2/C(=O)N(C(N)=S)N=C2C)cc1	ZINC000100021916	08/85/30/219088530	ZXBKGTBZYDNZMS-SFQUDFHCSA-N	0	332.389	EC	0.899	2	Mild	low	ECEALN	CC(=O)N(C)c1ccc(NN=C2C(=O)N(C(N)=S)N=C2C)cc1	 
CC(=O)N(C)c1ccc(N/N=C2/C(=O)N(C(N)=S)N=C2C)cc1	ZINC000100021916	08/85/26/219088526	ZXBKGTBZYDNZMS-SFQUDFHCSA-N	-1	332.389	EC	0.899	0	Mild	ref	ECEARM	CC(=O)N(C)c1ccc(N=Nc2c(C)[n-]n(C(N)=S)c2=O)cc1	 
CN1CCN(C(=O)[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)CC1=O	ZINC000152865805	74/38/21/436743821	SUANYLHMBUGAED-MRXNPFEDSA-N	0	343.427	EC	0.768	0	Anodyne	ref	ECABRN	CN1CCN(C(=O)[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)CC1=O	 
CN1CCN(C(=O)[C@H]2CCCN(C(=O)Cc3ccccc3)C2)CC1=O	ZINC000152865919	74/36/73/436743673	SUANYLHMBUGAED-INIZCTEOSA-N	0	343.427	EC	0.768	0	Anodyne	ref	ECABRN	CN1CCN(C(=O)[C@H]2CCCN(C(=O)Cc3ccccc3)C2)CC1=O	 
CCOC(=O)[C@@H](C)N1C(=O)/C(=N\NC(N)=S)c2cc(C)ccc21	ZINC000536554703	53/87/71/439538771	OPTAMLFYVBKQNP-VGGUHSJCSA-N	0	334.401	EC	0.831	0	Mild	ref	ECEBRN	CCOC(=O)[C@@H](C)N1C(=O)/C(=N\NC(N)=S)c2cc(C)ccc21	 
CCOC(=O)[C@H](C)N1C(=O)/C(=N\NC(N)=S)c2cc(C)ccc21	ZINC000536554704	53/75/62/439537562	OPTAMLFYVBKQNP-XZCCHYJMSA-N	0	334.401	EC	0.831	0	Mild	ref	ECEBRN	CCOC(=O)[C@H](C)N1C(=O)/C(=N\NC(N)=S)c2cc(C)ccc21