CC1CCN(S(=O)(=O)c2ccc(NN=C3C(=O)NC(=O)NC3=O)cc2)CC1 ZINC000001087137 29/98/08/209299808 MQJINIUZVLQVCC-UHFFFAOYSA-N 0 393.425 GC 0.241 2 Mild low GCEALN CC1CCN(S(=O)(=O)c2ccc(NN=C3C(=O)NC(=O)NC3=O)cc2)CC1 CC1CCN(S(=O)(=O)c2ccc(NN=C3C(=O)NC(=O)NC3=O)cc2)CC1 ZINC000001087137 29/98/03/209299803 MQJINIUZVLQVCC-UHFFFAOYSA-N -1 393.425 GC 0.241 0 Mild ref GCEARM CC1CCN(S(=O)(=O)c2ccc(NN=C3C(=O)[N-]C(=O)NC3=O)cc2)CC1 O=C1NC(=O)C(=NNc2ccc(S(=O)(=O)N3CCCCCC3)cc2)C(=O)N1 ZINC000001087138 30/02/40/209300240 VDHSXWZZOCFJML-UHFFFAOYSA-N 0 393.425 GC 0.385 2 Mild low GCEALN O=C1NC(=O)C(=NNc2ccc(S(=O)(=O)N3CCCCCC3)cc2)C(=O)N1 O=C1NC(=O)C(=NNc2ccc(S(=O)(=O)N3CCCCCC3)cc2)C(=O)N1 ZINC000001087138 30/02/34/209300234 VDHSXWZZOCFJML-UHFFFAOYSA-N -1 393.425 GC 0.385 0 Mild ref GCEARM O=C1[N-]C(=O)C(=NNc2ccc(S(=O)(=O)N3CCCCCC3)cc2)C(=O)N1 CCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)/C=C/c1cccs1 ZINC000002701564 11/70/60/530117060 UXOBUCYAVMGLPP-FYJFLYSWSA-N 0 381.479 GC 0.916 0 Anodyne ref GCAARN CCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)/C=C/c1cccs1 CCOC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)/C=C/c1cccs1 ZINC000002701567 37/76/55/209377655 UXOBUCYAVMGLPP-BTDICHCPSA-N 0 381.479 GC 0.916 0 Anodyne ref GCAARN CCOC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)/C=C/c1cccs1 COc1ccc(C(=O)NC(=S)NCCO)cc1I ZINC000002886141 11/68/72/530116872 QLVSAYGVPHKQCE-UHFFFAOYSA-N 0 380.207 GC 0.896 0 Anodyne ref GCAARN COc1ccc(C(=O)NC(=S)NCCO)cc1I CCOC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1ccccc1OC ZINC000004291481 36/57/91/570365791 DOCHAYVUPFVIDX-GFCCVEGCSA-N 0 379.438 GC 0.464 0 Anodyne ref GCAARN CCOC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1ccccc1OC CCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1ccccc1OC ZINC000004291482 03/65/04/204036504 DOCHAYVUPFVIDX-LBPRGKRZSA-N 0 379.438 GC 0.464 0 Anodyne ref GCAARN CCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1ccccc1OC CC(C)OC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc(F)cc1 ZINC000004839882 41/04/43/570410443 OCSKZRQMCMLXBP-CYBMUJFWSA-N 0 381.429 GC 0.983 0 Anodyne ref GCAARN CC(C)OC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc(F)cc1 CC(C)OC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc(F)cc1 ZINC000004839883 08/05/76/204080576 OCSKZRQMCMLXBP-ZDUSSCGKSA-N 0 381.429 GC 0.983 0 Anodyne ref GCAARN CC(C)OC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc(F)cc1 CC(C)OC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)Cc1ccccc1 ZINC000004855282 41/27/92/570412792 WGUZRLQBPJBRMH-CQSZACIVSA-N 0 377.466 GC 0.772 0 Anodyne ref GCAARN CC(C)OC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)Cc1ccccc1 CC(C)OC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)Cc1ccccc1 ZINC000004855293 41/27/88/570412788 WGUZRLQBPJBRMH-AWEZNQCLSA-N 0 377.466 GC 0.772 0 Anodyne ref GCAARN CC(C)OC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)Cc1ccccc1 COc1ccc(C(=O)NC(=S)N2CCNC(=O)[C@H]2CC(=O)OC(C)C)cc1 ZINC000004867359 08/41/45/204084145 PBWXEARLSDEMHR-CQSZACIVSA-N 0 393.465 GC 0.852 0 Anodyne ref GCAARN COc1ccc(C(=O)NC(=S)N2CCNC(=O)[C@H]2CC(=O)OC(C)C)cc1 COc1ccc(C(=O)NC(=S)N2CCNC(=O)[C@@H]2CC(=O)OC(C)C)cc1 ZINC000004867361 08/50/85/204085085 PBWXEARLSDEMHR-AWEZNQCLSA-N 0 393.465 GC 0.852 0 Anodyne ref GCAARN COc1ccc(C(=O)NC(=S)N2CCNC(=O)[C@@H]2CC(=O)OC(C)C)cc1 CC(=O)NC(=S)N1CCNC(=O)[C@@H]1CC(=O)OCCOc1ccccc1 ZINC000005044040 42/55/27/570425527 QEFLAMIZQMCTDI-AWEZNQCLSA-N 0 379.438 GC 0.22 0 Anodyne ref GCAARN CC(=O)NC(=S)N1CCNC(=O)[C@@H]1CC(=O)OCCOc1ccccc1 CC(=O)NC(=S)N1CCNC(=O)[C@H]1CC(=O)OCCOc1ccccc1 ZINC000005044044 42/56/02/570425602 QEFLAMIZQMCTDI-CQSZACIVSA-N 0 379.438 GC 0.22 0 Anodyne ref GCAARN CC(=O)NC(=S)N1CCNC(=O)[C@H]1CC(=O)OCCOc1ccccc1 COC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)Cc1ccc(Cl)cc1 ZINC000005044077 11/96/29/530119629 BFCSYZIKYPOOCW-GFCCVEGCSA-N 0 383.857 GC 0.647 0 Anodyne ref GCAARN COC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)Cc1ccc(Cl)cc1 COC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)Cc1ccc(Cl)cc1 ZINC000005044078 11/96/68/530119668 BFCSYZIKYPOOCW-LBPRGKRZSA-N 0 383.857 GC 0.647 0 Anodyne ref GCAARN COC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)Cc1ccc(Cl)cc1 Cc1cc2c(cc1Br)=NC(=O)C=2NN1C(=O)c2ccccc2C1=O ZINC000005442546 86/90/05/220869005 NWSOXUBJWFHQCK-UHFFFAOYSA-N 0 384.189 GC 0.826 0 Anodyne ref GCAARN Cc1cc2c(cc1Br)=NC(=O)C=2NN1C(=O)c2ccccc2C1=O CCCOC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)Cc1ccccc1 ZINC000007262443 50/22/25/570502225 QHWNDKWEJCBXAL-CQSZACIVSA-N 0 377.466 GC 0.774 0 Anodyne ref GCAARN CCCOC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)Cc1ccccc1 CCCOC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc(F)cc1 ZINC000007262447 50/22/75/570502275 RYWLEJPCLGNMIS-CYBMUJFWSA-N 0 381.429 GC 0.984 0 Anodyne ref GCAARN CCCOC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc(F)cc1 CCCOC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc(OC)cc1 ZINC000007262448 23/71/66/204237166 LIMUKDHNJIMYET-CQSZACIVSA-N 0 393.465 GC 0.854 0 Anodyne ref GCAARN CCCOC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc(OC)cc1 CCCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)Cc1ccccc1 ZINC000007262456 50/22/14/570502214 QHWNDKWEJCBXAL-AWEZNQCLSA-N 0 377.466 GC 0.774 0 Anodyne ref GCAARN CCCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)Cc1ccccc1 CCCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc(F)cc1 ZINC000007262460 50/20/20/570502020 RYWLEJPCLGNMIS-ZDUSSCGKSA-N 0 381.429 GC 0.984 0 Anodyne ref GCAARN CCCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc(F)cc1 CCCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc(OC)cc1 ZINC000007262461 23/73/29/204237329 LIMUKDHNJIMYET-AWEZNQCLSA-N 0 393.465 GC 0.854 0 Anodyne ref GCAARN CCCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc(OC)cc1 CCN(CC)S(=O)(=O)c1ccc(N/N=C2\C(=O)N(C(N)=S)N=C2C)cc1 ZINC000008685955 53/74/32/570537432 JBZGAVNCUDCXAL-AQTBWJFISA-N -1 396.498 GC 0.947 0 Mild ref GCEARM CCN(CC)S(=O)(=O)c1ccc(N=Nc2c(C)[n-]n(C(N)=S)c2=O)cc1 O=C(O)CCCC(=O)N1CCNC(=O)[C@@H]1CC(=O)OCCc1ccccc1 ZINC000012137036 37/36/47/204373647 QYSWBUUPPFQFFZ-HNNXBMFYSA-N -1 376.409 GC 0.744 0 Anodyne ref GCAARM O=C([O-])CCCC(=O)N1CCNC(=O)[C@@H]1CC(=O)OCCc1ccccc1 O=C(O)CCCC(=O)N1CCNC(=O)[C@H]1CC(=O)OCCc1ccccc1 ZINC000012137037 37/37/56/204373756 QYSWBUUPPFQFFZ-OAHLLOKOSA-N -1 376.409 GC 0.744 0 Anodyne ref GCAARM O=C([O-])CCCC(=O)N1CCNC(=O)[C@H]1CC(=O)OCCc1ccccc1 O=C(O)CCCC(=O)N1CCNC(=O)[C@@H]1CC(=O)OCCOc1ccccc1 ZINC000012137199 37/42/83/204374283 NIZRZGBEEUPSAH-HNNXBMFYSA-N -1 392.408 GC 0.581 0 Anodyne ref GCAARM O=C([O-])CCCC(=O)N1CCNC(=O)[C@@H]1CC(=O)OCCOc1ccccc1 O=C(O)CCCC(=O)N1CCNC(=O)[C@H]1CC(=O)OCCOc1ccccc1 ZINC000012137200 86/10/00/206861000 NIZRZGBEEUPSAH-OAHLLOKOSA-N -1 392.408 GC 0.581 0 Anodyne ref GCAARM O=C([O-])CCCC(=O)N1CCNC(=O)[C@H]1CC(=O)OCCOc1ccccc1 CC1=NN(C(N)=S)C(=O)/C1=N\Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000012413009 65/65/77/570656577 UBIKEEUVXANHFK-AQTBWJFISA-N -1 394.482 GC 0.701 0 Mild ref GCEARM Cc1[n-]n(C(N)=S)c(=O)c1N=Nc1ccc(S(=O)(=O)N2CCCC2)cc1 CN1CCN(S(=O)(=O)c2ccc(NC(=S)NC(=O)C3CC3)cc2)CC1 ZINC000035877349 17/13/08/530171308 VFHZKZMFBISMLQ-UHFFFAOYSA-N 1 382.511 GC 0.846 2 Anodyne low GCAALO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=S)NC(=O)C3CC3)cc2)CC1 CN1CCN(S(=O)(=O)c2ccc(NC(=S)NC(=O)C3CC3)cc2)CC1 ZINC000035877349 17/13/00/530171300 VFHZKZMFBISMLQ-UHFFFAOYSA-N 0 382.511 GC 0.846 0 Anodyne ref GCAARN CN1CCN(S(=O)(=O)c2ccc(NC(=S)NC(=O)C3CC3)cc2)CC1 N=C(N)NCCC[C@H](NC(=O)c1ccc(-c2ccccc2)[nH]1)C(=O)NCCO ZINC000095951752 28/57/43/211285743 ICYVAINGGCXNEB-HNNXBMFYSA-N 1 386.456 GC 0.152 0 Anodyne ref GCABRO NC(=[NH2+])NCCC[C@H](NC(=O)c1ccc(-c2ccccc2)[nH]1)C(=O)NCCO N=C(N)NCCC[C@@H](NC(=O)c1ccc(-c2ccccc2)[nH]1)C(=O)NCCO ZINC000095951753 09/55/20/571095520 ICYVAINGGCXNEB-OAHLLOKOSA-N 1 386.456 GC 0.152 0 Anodyne ref GCABRO NC(=[NH2+])NCCC[C@@H](NC(=O)c1ccc(-c2ccccc2)[nH]1)C(=O)NCCO