CCOC(=O)c1c(N)sc(C(=O)N(CC)CC)c1C ZINC000000032145 11/87/58/361118758 CQFLXLZREFAIKV-UHFFFAOYSA-N 0 284.381 CE 2.297 0 Anodyne ref CEAARN CCOC(=O)c1c(N)sc(C(=O)N(CC)CC)c1C O[C@H](c1nc2ccccc2[nH]1)[C@H](O)c1nc2ccccc2[nH]1 ZINC000000035511 11/91/92/361119192 ALWIRKFXMNFYBB-KBPBESRZSA-N 0 294.314 CE 2.206 0 Anodyne ref CEAARN O[C@H](c1nc2ccccc2[nH]1)[C@H](O)c1nc2ccccc2[nH]1 O[C@@H](c1nc2ccccc2[nH]1)[C@@H](O)c1nc2ccccc2[nH]1 ZINC000000035512 11/91/60/361119160 ALWIRKFXMNFYBB-ZIAGYGMSSA-N 0 294.314 CE 2.206 0 Anodyne ref CEAARN O[C@@H](c1nc2ccccc2[nH]1)[C@@H](O)c1nc2ccccc2[nH]1 COc1ccc(C=O)cc1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000000035780 11/85/67/361118567 LGQORZMQGBSBIF-UHFFFAOYSA-N 0 289.291 CE 2.278 0 Bother ref CEBARN COc1ccc(C=O)cc1Cn1nc(C)c([N+](=O)[O-])c1C Cc1ccc(OCC(=O)O)c(-n2nc3ccccc3n2)c1 ZINC000000038345 51/33/05/169513305 GXUSNSHJHHHTQR-UHFFFAOYSA-N -1 283.287 CE 2.192 0 Anodyne ref CEAARM Cc1ccc(OCC(=O)[O-])c(-n2nc3ccccc3n2)c1 Cc1ccc(S(=O)(=O)Nc2ccc(N)cc2)cc1 ZINC000000056832 84/06/74/278840674 XKDFMOOUKPSLEM-UHFFFAOYSA-N -1 262.334 CE 2.378 3 Clean high CECAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N)cc2)cc1 Cc1ccc(S(=O)(=O)Nc2ccc(N)cc2)cc1 ZINC000000056832 84/06/73/278840673 XKDFMOOUKPSLEM-UHFFFAOYSA-N 0 262.334 CE 2.378 0 Clean ref CECARN Cc1ccc(S(=O)(=O)Nc2ccc(N)cc2)cc1 O=C(O)c1cc2cc(Br)ccc2oc1=O ZINC000000067689 22/92/47/304229247 XFQHPAXNKDYMOX-UHFFFAOYSA-N -1 269.05 CE 2.254 0 Anodyne ref CEAARM O=C([O-])c1cc2cc(Br)ccc2oc1=O COc1ccc(C=O)cc1CN1CCSCC1 ZINC000000096565 12/76/11/361127611 JYURGPQYEDOSEU-UHFFFAOYSA-N 1 251.351 CE 2.056 2 Anodyne low CEAALO COc1ccc(C=O)cc1C[NH+]1CCSCC1 COc1ccc(C=O)cc1CN1CCSCC1 ZINC000000096565 12/76/03/361127603 JYURGPQYEDOSEU-UHFFFAOYSA-N 0 251.351 CE 2.056 0 Anodyne ref CEAARN COc1ccc(C=O)cc1CN1CCSCC1 O=C(O)[C@H]1CC(=O)N(c2ccc(OC(F)(F)F)cc2)C1 ZINC000000112576 13/04/84/361130484 XEGOMPWWQGMOQJ-ZETCQYMHSA-N -1 289.209 CE 2.023 0 Anodyne ref CEAARM O=C([O-])[C@H]1CC(=O)N(c2ccc(OC(F)(F)F)cc2)C1 O=C(O)[C@@H]1CC(=O)N(c2ccc(OC(F)(F)F)cc2)C1 ZINC000000112579 13/00/28/361130028 XEGOMPWWQGMOQJ-SSDOTTSWSA-N -1 289.209 CE 2.023 0 Anodyne ref CEAARM O=C([O-])[C@@H]1CC(=O)N(c2ccc(OC(F)(F)F)cc2)C1 Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 ZINC000000143129 13/51/13/361135113 XKBHHJLZPOQOFS-UHFFFAOYSA-N 0 274.345 CE 2.02 0 Anodyne ref CEAARN Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 COc1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1 ZINC000000143547 13/49/45/361134945 PKCILPHWDZXVQT-UHFFFAOYSA-N -1 278.333 CE 2.078 3 Anodyne high CEAAHM COc1ccc([N-]S(=O)(=O)c2ccc(N)cc2)cc1 COc1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1 ZINC000000143547 13/49/41/361134941 PKCILPHWDZXVQT-UHFFFAOYSA-N 0 278.333 CE 2.078 0 Anodyne ref CEAARN COc1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1 O=C(O)[C@H](Cc1ccccc1)N1Cc2ccccc2C1=O ZINC000000170228 17/15/14/304171514 FZEBPJBRDFXKIH-HNNXBMFYSA-N -1 281.311 CE 2.338 0 Anodyne ref CEAARM O=C([O-])[C@H](Cc1ccccc1)N1Cc2ccccc2C1=O O=C(O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000000170425 13/98/41/361139841 FGLQAKJRFPNIJT-UHFFFAOYSA-N -1 267.712 CE 2.277 0 Anodyne ref CEAARM O=C([O-])C1CCN(C(=O)c2ccc(Cl)cc2)CC1 Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000000182607 14/14/30/361141430 QYVUQEQLEFFAOW-UHFFFAOYSA-N -1 266.297 CE 2.209 3 Anodyne high CEAAHM Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000000182607 14/14/24/361141424 QYVUQEQLEFFAOW-UHFFFAOYSA-N 0 266.297 CE 2.209 0 Anodyne ref CEAARN Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 O=C(O)CCC(=O)Nc1ccc(Br)cc1 ZINC000000187921 14/27/78/361142778 MJQBQVIGARYLLU-UHFFFAOYSA-N -1 272.098 CE 2.252 0 Anodyne ref CEAARM O=C([O-])CCC(=O)Nc1ccc(Br)cc1 Cc1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1 ZINC000000265634 15/46/23/361154623 QXIZWXNTAVXJNC-UHFFFAOYSA-N -1 262.334 CE 2.378 3 Anodyne high CEAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(N)cc2)cc1 in-vivo Cc1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1 ZINC000000265634 15/46/14/361154614 QXIZWXNTAVXJNC-UHFFFAOYSA-N 0 262.334 CE 2.378 0 Anodyne ref CEAARN Cc1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1 in-vivo CCOC(=O)C[C@H](N)c1ccc(OC(C)C)cc1 ZINC000000266151 15/37/73/361153773 QDNYKOJFKVMHBU-ZDUSSCGKSA-N 0 251.326 CE 2.427 3 Anodyne high CEAAHN CCOC(=O)C[C@H](N)c1ccc(OC(C)C)cc1 CCOC(=O)C[C@H](N)c1ccc(OC(C)C)cc1 ZINC000000266151 15/37/67/361153767 QDNYKOJFKVMHBU-ZDUSSCGKSA-N 1 251.326 CE 2.427 0 Anodyne ref CEAARO CCOC(=O)C[C@H]([NH3+])c1ccc(OC(C)C)cc1 CCOC(=O)C[C@@H](N)c1ccc(OC(C)C)cc1 ZINC000000266156 15/42/86/361154286 QDNYKOJFKVMHBU-CYBMUJFWSA-N 0 251.326 CE 2.427 3 Anodyne high CEAAHN CCOC(=O)C[C@@H](N)c1ccc(OC(C)C)cc1 CCOC(=O)C[C@@H](N)c1ccc(OC(C)C)cc1 ZINC000000266156 15/42/82/361154282 QDNYKOJFKVMHBU-CYBMUJFWSA-N 1 251.326 CE 2.427 0 Anodyne ref CEAARO CCOC(=O)C[C@@H]([NH3+])c1ccc(OC(C)C)cc1 Cc1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1Cl ZINC000000266692 59/18/89/169591889 MYNNLWVFRWATKE-QMMMGPOBSA-N -1 253.685 CE 2.086 0 Anodyne ref CEAARM Cc1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1Cl Cc1ccc(N2C[C@H](C(=O)O)CC2=O)cc1Cl ZINC000000266694 15/43/14/361154314 MYNNLWVFRWATKE-MRVPVSSYSA-N -1 253.685 CE 2.086 0 Anodyne ref CEAARM Cc1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1Cl Cc1ccccc1CS(=O)(=O)Cc1ccc(C(=O)O)o1 ZINC000000266796 59/20/82/169592082 GFLWYIBVBBDEEL-UHFFFAOYSA-N -1 294.328 CE 2.401 0 Anodyne ref CEAARM Cc1ccccc1CS(=O)(=O)Cc1ccc(C(=O)[O-])o1 O=C(O)C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000000269417 59/29/87/169592987 WCERMHZIGNICHV-UHFFFAOYSA-N -1 267.712 CE 2.277 0 Anodyne ref CEAARM O=C([O-])C1CCN(C(=O)c2ccccc2Cl)CC1 CC(C)N(C(C)C)S(=O)(=O)c1ccc(N)cc1 ZINC000000280518 44/90/49/394449049 RMDNCKPIBCUTPK-UHFFFAOYSA-N 0 256.371 CE 2.076 0 Anodyne ref CEAARN CC(C)N(C(C)C)S(=O)(=O)c1ccc(N)cc1 CCOc1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1 ZINC000000286774 15/67/54/361156754 SBPXTHAKRLEODG-UHFFFAOYSA-N -1 292.36 CE 2.468 3 Anodyne high CEAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(N)cc2)cc1 CCOc1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1 ZINC000000286774 15/67/53/361156753 SBPXTHAKRLEODG-UHFFFAOYSA-N 0 292.36 CE 2.468 0 Anodyne ref CEAARN CCOc1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1 C=CCn1c(SCC(=O)O)nnc1-c1ccccc1 ZINC000000296771 15/81/01/361158101 GZZCGBONHJILEF-UHFFFAOYSA-N -1 275.333 CE 2.308 0 Mild ref CEEARM C=CCn1c(SCC(=O)[O-])nnc1-c1ccccc1 C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(N)cc1 ZINC000000308490 15/99/23/361159923 LOGKPRHLSMFTHZ-GHMZBOCLSA-N 0 268.382 CE 2.22 0 Anodyne ref CEAARN C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(N)cc1 C[C@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(N)cc1 ZINC000000308492 15/97/65/361159765 LOGKPRHLSMFTHZ-QWRGUYRKSA-N 0 268.382 CE 2.22 0 Anodyne ref CEAARN C[C@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(N)cc1 COc1ccc(-c2n[nH]c(=S)n2C)cc1OC ZINC000000314350 16/03/67/361160367 JLQMWNZTYYWAPS-UHFFFAOYSA-N -1 251.311 CE 2.162 1 Anodyne mid CEAAMM COc1ccc(-c2n[n-]c(=S)n2C)cc1OC COc1ccc(-c2n[nH]c(=S)n2C)cc1OC ZINC000000314350 16/03/60/361160360 JLQMWNZTYYWAPS-UHFFFAOYSA-N 0 251.311 CE 2.162 0 Anodyne ref CEAARN COc1ccc(-c2n[nH]c(=S)n2C)cc1OC O=c1c2ccccc2[nH]c(=S)n1C[C@H]1CCCO1 ZINC000000317111 60/68/97/169606897 XKGHQFJXVMZVCI-SECBINFHSA-N 0 262.334 CE 2.238 1 Anodyne mid CEAAMN O=c1c2ccccc2[nH]c(=S)n1C[C@H]1CCCO1 O=c1c2ccccc2[nH]c(=S)n1C[C@H]1CCCO1 ZINC000000317111 60/68/96/169606896 XKGHQFJXVMZVCI-SECBINFHSA-N -1 262.334 CE 2.238 0 Anodyne ref CEAARM O=c1c2ccccc2[n-]c(=S)n1C[C@H]1CCCO1 O=c1c2ccccc2[nH]c(=S)n1C[C@@H]1CCCO1 ZINC000000317112 16/11/11/361161111 XKGHQFJXVMZVCI-VIFPVBQESA-N 0 262.334 CE 2.238 1 Anodyne mid CEAAMN O=c1c2ccccc2[nH]c(=S)n1C[C@@H]1CCCO1 O=c1c2ccccc2[nH]c(=S)n1C[C@@H]1CCCO1 ZINC000000317112 16/11/06/361161106 XKGHQFJXVMZVCI-VIFPVBQESA-N -1 262.334 CE 2.238 0 Anodyne ref CEAARM O=c1c2ccccc2[n-]c(=S)n1C[C@@H]1CCCO1 Cc1ccc(C(=O)O)cc1I ZINC000000336287 16/26/98/361162698 LDDHMKANNXWUAK-UHFFFAOYSA-N -1 262.046 CE 2.298 0 Anodyne ref CEAARM Cc1ccc(C(=O)[O-])cc1I NC1=NN=C(c2ccc(Br)cc2)CS1 ZINC000000368475 16/63/42/361166342 SZGNSUIONWAXED-UHFFFAOYSA-N 0 270.155 CE 2.215 0 Anodyne ref CEAARN N=C1NN=C(c2ccc(Br)cc2)CS1 COc1ccccc1NS(=O)(=O)c1ccc(N)cc1 ZINC000000369224 16/61/46/361166146 XBXWZQQQBVBPAC-UHFFFAOYSA-N -1 278.333 CE 2.078 1 Anodyne mid CEAAMM COc1ccccc1[N-]S(=O)(=O)c1ccc(N)cc1 COc1ccccc1NS(=O)(=O)c1ccc(N)cc1 ZINC000000369224 16/61/40/361166140 XBXWZQQQBVBPAC-UHFFFAOYSA-N 0 278.333 CE 2.078 0 Anodyne ref CEAARN COc1ccccc1NS(=O)(=O)c1ccc(N)cc1 COc1ccc(C=O)cc1COc1ccccc1C(N)=O ZINC000000372221 62/15/37/169621537 DYJDDSMEJMUONA-UHFFFAOYSA-N 0 285.299 CE 2.186 0 Anodyne ref CEAARN COc1ccc(C=O)cc1COc1ccccc1C(N)=O Nc1ncc2c(n1)C[C@H](c1ccc(F)cc1)CC2=O ZINC000000378056 69/56/92/283695692 CWTONXLSVLUGHC-VIFPVBQESA-N 0 257.268 CE 2.111 0 Anodyne ref CEAARN Nc1ncc2c(n1)C[C@H](c1ccc(F)cc1)CC2=O Nc1ncc2c(n1)C[C@@H](c1ccc(F)cc1)CC2=O ZINC000000378058 71/00/00/279710000 CWTONXLSVLUGHC-SECBINFHSA-N 0 257.268 CE 2.111 0 Anodyne ref CEAARN Nc1ncc2c(n1)C[C@@H](c1ccc(F)cc1)CC2=O CC[C@H]1CCCCN1S(=O)(=O)c1ccc(N)cc1 ZINC000000416487 05/93/62/281059362 OBMKBCJDJKVFFC-LBPRGKRZSA-N 0 268.382 CE 2.222 0 Anodyne ref CEAARN CC[C@H]1CCCCN1S(=O)(=O)c1ccc(N)cc1 CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(N)cc1 ZINC000000416488 01/61/19/287016119 OBMKBCJDJKVFFC-GFCCVEGCSA-N 0 268.382 CE 2.222 0 Anodyne ref CEAARN CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(N)cc1 O=C(O)C1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000000462587 17/73/25/361177325 VVWYNFSSQNAKLL-UHFFFAOYSA-N -1 267.712 CE 2.277 0 Anodyne ref CEAARM O=C([O-])C1CCN(C(=O)c2cccc(Cl)c2)CC1 Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 ZINC000000572310 18/77/57/361187757 OFHUMRFYQYBKIN-UHFFFAOYSA-N 0 288.372 CE 2.41 0 Anodyne ref CEAARN Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 O=C(O)CCC(=O)Nc1ccc(CN2CCCC2)cc1 ZINC000000795283 19/21/92/361192192 REBQICWMIKWUMS-UHFFFAOYSA-N 0 276.336 CE 2.086 0 Anodyne ref CEAARN O=C([O-])CCC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 O=C(O)CCC(=O)Nc1ccc(CN2CCCCC2)cc1 ZINC000000795284 19/22/62/361192262 GVFFRVXULOXBST-UHFFFAOYSA-N -1 290.363 CE 2.476 3 Anodyne high CEAAHM O=C([O-])CCC(=O)Nc1ccc(CN2CCCCC2)cc1 O=C(O)CCC(=O)Nc1ccc(CN2CCCCC2)cc1 ZINC000000795284 19/22/58/361192258 GVFFRVXULOXBST-UHFFFAOYSA-N 0 290.363 CE 2.476 0 Anodyne ref CEAARN O=C([O-])CCC(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 COc1ccc(C(=O)O)cc1Cn1nc(C)cc1C ZINC000000801659 19/22/40/361192240 WSSQRQOVLIJMOC-UHFFFAOYSA-N -1 260.293 CE 2.255 0 Anodyne ref CEAARM COc1ccc(C(=O)[O-])cc1Cn1nc(C)cc1C COc1ccc(Cl)cc1-c1nnc(S)n1C ZINC000001301987 19/96/20/361199620 VHILZAPMAFFGCD-UHFFFAOYSA-N 0 255.73 CE 2.433 0 Anodyne ref CEAARN COc1ccc(Cl)cc1C1N=NC(=S)N1C N#Cc1c(N)oc(-c2cccc([N+](=O)[O-])c2)c1C#N ZINC000001648005 07/86/11/283078611 MHJXVNVDXPLLRH-UHFFFAOYSA-N 0 254.205 CE 2.18 0 Mild ref CEEBRN N#Cc1c(N)oc(-c2cccc([N+](=O)[O-])c2)c1C#N Nc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000001655465 21/52/23/361215223 PBWWVSWTXKQMEN-UHFFFAOYSA-N 0 288.372 CE 2.016 0 Anodyne ref CEAARN Nc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 O=[N+]([O-])c1cc(I)cc([N+](=O)[O-])c1 ZINC000001668820 36/08/69/280360869 AISNAASNOWRWIR-UHFFFAOYSA-N 0 294.004 CE 2.108 0 Bother ref CEBARN O=[N+]([O-])c1cc(I)cc([N+](=O)[O-])c1 CCOC(=O)c1sc(NC(=O)CCl)c(C#N)c1C ZINC000001964983 26/58/11/264265811 AOLJKGGEFGBGRY-UHFFFAOYSA-N 0 286.74 CE 2.282 0 Reactive ref CEGARN CCOC(=O)c1sc(NC(=O)CCl)c(C#N)c1C COc1ccc(-c2noc(CCCC(=O)O)n2)cc1OC ZINC000002204783 23/05/05/361230505 WYCWGRMUWVQULV-UHFFFAOYSA-N -1 292.291 CE 2.161 0 Anodyne ref CEAARM COc1ccc(-c2noc(CCCC(=O)[O-])n2)cc1OC COCCOC(=O)c1c(N)sc2c1CCCC2 ZINC000002379724 23/25/52/361232552 UIUDQLUISITCIL-UHFFFAOYSA-N 0 255.339 CE 2.012 0 Anodyne ref CEAARN COCCOC(=O)c1c(N)sc2c1CCCC2 CCCOC(=O)c1c(N)sc(C(=O)OCC)c1C ZINC000002388755 79/03/12/169790312 XETZILRZRLFFIY-UHFFFAOYSA-N 0 271.338 CE 2.382 0 Anodyne ref CEAARN CCCOC(=O)c1c(N)sc(C(=O)OCC)c1C CCOC(=O)c1sc(N)c(C(=O)OC(C)C)c1C ZINC000002388758 79/04/12/169790412 KXNVWYCVOIHAOB-UHFFFAOYSA-N 0 271.338 CE 2.381 0 Anodyne ref CEAARN CCOC(=O)c1sc(N)c(C(=O)OC(C)C)c1C N[C@H](C(=O)O)C12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2 ZINC000002470145 47/87/29/303478729 JKZHWZNAURVYFS-RORBGTHESA-N 0 288.185 CE 2.132 0 Anodyne ref CEAARN [NH3+][C@H](C(=O)[O-])C12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2 CC(C)OC(=O)c1cc(N)cc(C(=O)OC(C)C)c1 ZINC000002507048 79/70/45/169797045 NDKPWDCVTVYVOW-UHFFFAOYSA-N 0 265.309 CE 2.399 0 Anodyne ref CEAARN CC(C)OC(=O)c1cc(N)cc(C(=O)OC(C)C)c1 Cc1nn(Cc2ccccc2C(=O)O)c(C)c1[N+](=O)[O-] ZINC000002507803 23/69/01/361236901 JXVWZWVFPOLJOL-UHFFFAOYSA-N -1 275.264 CE 2.155 0 Bother ref CEBARM Cc1nn(Cc2ccccc2C(=O)[O-])c(C)c1[N+](=O)[O-] COc1cc(-c2n[nH]c(=S)n2C)cc(OC)c1OC ZINC000002518741 80/09/26/169800926 KZMMIESIWSAKOO-UHFFFAOYSA-N -1 281.337 CE 2.17 1 Anodyne mid CEAAMM COc1cc(-c2n[n-]c(=S)n2C)cc(OC)c1OC COc1cc(-c2n[nH]c(=S)n2C)cc(OC)c1OC ZINC000002518741 80/09/25/169800925 KZMMIESIWSAKOO-UHFFFAOYSA-N 0 281.337 CE 2.17 0 Anodyne ref CEAARN COc1cc(-c2n[nH]c(=S)n2C)cc(OC)c1OC CCn1c(S)nnc1COc1ccc(F)cc1 ZINC000002518743 23/76/37/361237637 HRROXJRZFCPWHY-UHFFFAOYSA-N 0 253.302 CE 2.305 0 Anodyne ref CEAARN CCN1C(=S)N=NC1COc1ccc(F)cc1 C=CCn1c(S)nnc1COc1ccc(F)cc1 ZINC000002518745 23/78/06/361237806 MBIRTPPVLYZFHM-UHFFFAOYSA-N 0 265.313 CE 2.471 0 Mild ref CEEARN C=CCN1C(=S)N=NC1COc1ccc(F)cc1 C[C@H](Oc1ccc(F)cc1)c1nnc(S)n1C ZINC000002532697 23/81/33/361238133 NZSMGJBFIRXGBF-ZETCQYMHSA-N 0 253.302 CE 2.383 0 Anodyne ref CEAARN C[C@H](Oc1ccc(F)cc1)C1N=NC(=S)N1C Cn1c(S)nnc1COc1ccc(F)cc1Cl ZINC000002532698 80/39/04/169803904 WVEBJJXXPVDWJL-UHFFFAOYSA-N 0 273.72 CE 2.475 0 Anodyne ref CEAARN CN1C(=S)N=NC1COc1ccc(F)cc1Cl O=C(O)Cn1nc(C(F)F)c(Cl)c1C1CC1 ZINC000002534239 23/88/74/361238874 GZJACOLAIQWXKW-UHFFFAOYSA-N -1 250.632 CE 2.436 0 Anodyne ref CEAARM O=C([O-])Cn1nc(C(F)F)c(Cl)c1C1CC1 C=CCn1c(S)nnc1-c1cccc(N(C)C)c1 ZINC000002536731 23/96/16/361239616 CXOGJNUETYZCQU-UHFFFAOYSA-N 0 260.366 CE 2.486 0 Mild ref CEEARN C=CCN1C(=S)N=NC1c1cccc(N(C)C)c1 Cn1c(S)nnc1COc1ccc(F)c(Cl)c1 ZINC000002536734 23/90/20/361239020 HLDWJYHUIZOJFI-UHFFFAOYSA-N 0 273.72 CE 2.475 0 Anodyne ref CEAARN CN1C(=S)N=NC1COc1ccc(F)c(Cl)c1 COC(=O)c1ccccc1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000002536972 23/90/78/361239078 RINMAGDRXPTEJV-UHFFFAOYSA-N 0 289.291 CE 2.243 0 Bother ref CEBARN COC(=O)c1ccccc1Cn1nc(C)c([N+](=O)[O-])c1C O=C(O)c1ccnn1COc1ccccc1Cl ZINC000002537617 80/53/59/169805359 GGQJAHFALXYTLW-UHFFFAOYSA-N -1 252.657 CE 2.271 0 Anodyne ref CEAARM O=C([O-])c1ccnn1COc1ccccc1Cl O=C(O)c1ccnn1COc1ccc(Cl)cc1 ZINC000002537619 27/37/47/304273747 GYKLRPNBQKOMDP-UHFFFAOYSA-N -1 252.657 CE 2.271 0 Anodyne ref CEAARM O=C([O-])c1ccnn1COc1ccc(Cl)cc1 Cn1nccc1-c1cc(C(=O)O)c2ccccc2n1 ZINC000002537759 23/97/37/361239737 KROALECUONLWKQ-UHFFFAOYSA-N -1 253.261 CE 2.333 0 Anodyne ref CEAARM Cn1nccc1-c1cc(C(=O)[O-])c2ccccc2n1 Cc1nn(Cn2nc(C)c(Br)c2C)c(C)c1N ZINC000002538902 23/98/91/361239891 ZHQFPYOFDZTGEE-UHFFFAOYSA-N 0 298.188 CE 2.164 0 Anodyne ref CEAARN Cc1nn(Cn2nc(C)c(Br)c2C)c(C)c1N COc1cccc(-c2cc(C(F)F)nc(NN)n2)c1 ZINC000002554184 23/89/62/361238962 WIRAWWCIVRUBFU-UHFFFAOYSA-N -1 266.251 CE 2.375 3 Anodyne high CEAAHM COc1cccc(-c2cc(C(F)F)[n-]c(=NN)n2)c1 COc1cccc(-c2cc(C(F)F)nc(NN)n2)c1 ZINC000002554184 23/89/56/361238956 WIRAWWCIVRUBFU-UHFFFAOYSA-N -1 266.251 CE 2.375 3 Anodyne high CEAAHM COc1cccc(-c2cc(C(F)F)nc(=NN)[n-]2)c1 COc1cccc(-c2cc(C(F)F)nc(NN)n2)c1 ZINC000002554184 23/89/50/361238950 WIRAWWCIVRUBFU-UHFFFAOYSA-N 1 266.251 CE 2.375 2 Anodyne low CEAALO COc1cccc(-c2cc(C(F)F)nc(NN)[nH+]2)c1 COc1cccc(-c2cc(C(F)F)nc(NN)n2)c1 ZINC000002554184 23/89/35/361238935 WIRAWWCIVRUBFU-UHFFFAOYSA-N 0 266.251 CE 2.375 0 Anodyne ref CEAARN COc1cccc(-c2cc(C(F)F)nc(NN)n2)c1 COc1ccccc1-c1cc(C(F)(F)F)nc(NN)n1 ZINC000002554321 24/09/33/361240933 NZBFWZXOQZMNAX-UHFFFAOYSA-N -1 284.241 CE 2.457 3 Anodyne high CEAAHM COc1ccccc1-c1cc(C(F)(F)F)nc(=NN)[n-]1 COc1ccccc1-c1cc(C(F)(F)F)nc(NN)n1 ZINC000002554321 24/09/31/361240931 NZBFWZXOQZMNAX-UHFFFAOYSA-N -1 284.241 CE 2.457 3 Anodyne high CEAAHM COc1ccccc1-c1cc(C(F)(F)F)[n-]c(=NN)n1 COc1ccccc1-c1cc(C(F)(F)F)nc(NN)n1 ZINC000002554321 24/09/25/361240925 NZBFWZXOQZMNAX-UHFFFAOYSA-N 0 284.241 CE 2.457 0 Anodyne ref CEAARN COc1ccccc1-c1cc(C(F)(F)F)nc(NN)n1 CC(C)(Oc1ccc([N+](=O)[O-])cc1Cl)C(=O)O ZINC000002557829 24/06/40/361240640 ZLDJFKWZIPCOEU-UHFFFAOYSA-N -1 259.645 CE 2.49 0 Bother ref CEBARM CC(C)(Oc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] Nc1sc2c(c1C(=O)NC1CCCC1)CCC2 ZINC000002558483 24/06/55/361240655 OPYOBZVFWWOIGZ-UHFFFAOYSA-N 0 250.367 CE 2.491 0 Anodyne ref CEAARN Nc1sc2c(c1C(=O)NC1CCCC1)CCC2 C[C@H]1CCc2c(sc(N)c2C(=O)NC2CC2)C1 ZINC000002558491 24/10/68/361241068 NVRAAFPOYFVRQW-ZETCQYMHSA-N 0 250.367 CE 2.347 0 Anodyne ref CEAARN C[C@H]1CCc2c(sc(N)c2C(=O)NC2CC2)C1 Cc1sc(N)c(C(=O)NCc2cccnc2)c1C ZINC000002558506 24/02/26/361240226 JNHBYTTXAPPECX-UHFFFAOYSA-N 0 261.35 CE 2.272 0 Anodyne ref CEAARN Cc1sc(N)c(C(=O)NCc2cccnc2)c1C Nc1sc2c(c1C(=O)NCc1ccco1)CCC2 ZINC000002558526 24/10/23/361241023 ALWDDPDOEZWIJS-UHFFFAOYSA-N 0 262.334 CE 2.342 0 Anodyne ref CEAARN Nc1sc2c(c1C(=O)NCc1ccco1)CCC2 Cc1ccccc1NS(=O)(=O)c1ccc(N)cc1 ZINC000002565469 24/07/10/361240710 VNBAGPGLMFYJKB-UHFFFAOYSA-N -1 262.334 CE 2.378 3 Anodyne high CEAAHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(N)cc1 Cc1ccccc1NS(=O)(=O)c1ccc(N)cc1 ZINC000002565469 24/07/05/361240705 VNBAGPGLMFYJKB-UHFFFAOYSA-N 0 262.334 CE 2.378 0 Anodyne ref CEAARN Cc1ccccc1NS(=O)(=O)c1ccc(N)cc1 Sc1nnc(-c2ccco2)n1C[C@@H]1CCCO1 ZINC000002569161 24/14/57/361241457 DVWAHELSLKTAOD-QMMMGPOBSA-N 0 251.311 CE 2.006 0 Anodyne ref CEAARN S=C1N=NC(c2ccco2)N1C[C@@H]1CCCO1 Cn1c(S)nnc1-c1ccc(Br)o1 ZINC000002569164 24/11/67/361241167 PETGUNMIFOCGMU-UHFFFAOYSA-N 0 260.116 CE 2.126 0 Anodyne ref CEAARN CN1C(=S)N=NC1c1ccc(Br)o1 Cc1occc1-c1nnc(S)n1C[C@@H]1CCCO1 ZINC000002569170 24/12/99/361241299 OLEAGVBFSWLDGW-VIFPVBQESA-N 0 265.338 CE 2.314 0 Anodyne ref CEAARN Cc1occc1C1N=NC(=S)N1C[C@@H]1CCCO1