O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O ZINC000000020220 79/36/86/440793686 MYSWGUAQZAJSOK-UHFFFAOYSA-N -1 331.347 ED 1.583 3 Anodyne high EDAAHM O=C([O-])c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O fda O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O ZINC000000020220 79/36/74/440793674 MYSWGUAQZAJSOK-UHFFFAOYSA-N 0 331.347 ED 1.583 0 Anodyne ref EDAARN O=C([O-])c1cn(C2CC2)c2cc(N3CC[NH2+]CC3)c(F)cc2c1=O fda COc1ccccc1OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000000038398 55/49/91/208554991 WLBNEIJZWUQUDQ-UHFFFAOYSA-N 0 336.369 ED 1.36 0 Anodyne ref EDAARN COc1ccccc1OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OC(C)=O ZINC000000038893 62/15/95/263621595 HEOJFRLBIHWAIQ-OAHLLOKOSA-N 0 340.339 ED 1.87 0 Reactive ref EDGARN COc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)ccc1OC(C)=O CC(=O)NS(=O)(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000000045845 38/76/48/209387648 DRNHASYHHVRKJL-UHFFFAOYSA-N -1 344.348 ED 1.312 0 Anodyne ref EDAARM CC(=O)[N-]S(=O)(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccco1 ZINC000000060879 79/53/91/440795391 LCBIHDXSZBHWBZ-UHFFFAOYSA-N 0 336.369 ED 1.553 0 Anodyne ref EDAARN O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccco1 O=C(O)/C=C/C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000000086986 79/80/79/440798079 DZZZAXJHZCYLIH-CMDGGOBGSA-N -1 338.385 ED 1.44 0 Anodyne ref EDAARM O=C([O-])/C=C/C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 COC(=O)CCC(=O)Nc1ccccc1NC(=O)CCC(=O)OC ZINC000000125233 80/03/74/440800374 IMARDJFXLIKLGR-UHFFFAOYSA-N 0 336.344 ED 1.47 0 Anodyne ref EDAARN COC(=O)CCC(=O)Nc1ccccc1NC(=O)CCC(=O)OC COC(=O)CCC(=O)Nc1ccc(NC(=O)CCC(=O)OC)cc1 ZINC000000125247 79/98/45/440799845 WDYFJXPDEBVEQL-UHFFFAOYSA-N 0 336.344 ED 1.47 0 Anodyne ref EDAARN COC(=O)CCC(=O)Nc1ccc(NC(=O)CCC(=O)OC)cc1 CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(N)=O)cc1 ZINC000000134183 20/32/95/278203295 XJLMRTQLQMWDON-UHFFFAOYSA-N -1 333.369 ED 1.545 0 Anodyne ref EDAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C(N)=O)cc1 O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(F)(F)F ZINC000000136794 43/87/50/201438750 MFJPGKXTZFQMRQ-UHFFFAOYSA-N 0 338.307 ED 1.208 0 Anodyne ref EDAARN O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(F)(F)F CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)cc1 ZINC000000142088 80/23/97/440802397 PAVMVENJENUYQI-UHFFFAOYSA-N -1 333.369 ED 1.545 1 Anodyne mid EDAAMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)cc1 CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)cc1 ZINC000000142088 80/23/86/440802386 PAVMVENJENUYQI-UHFFFAOYSA-N 0 333.369 ED 1.545 0 Anodyne ref EDAARN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)cc1 CN(C)S(=O)(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000000327661 81/48/39/440814839 SWRCJLVANWFUEG-UHFFFAOYSA-N 0 330.365 ED 1.738 0 Anodyne ref EDAARN CN(C)S(=O)(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 COC(=O)CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000000357496 81/58/80/440815880 ZKLCFCPRFDXQOG-UHFFFAOYSA-N 0 340.401 ED 1.363 0 Anodyne ref EDAARN COC(=O)CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 O=C(O)CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000000357497 81/67/68/440816768 GABORMWVLIOEOP-UHFFFAOYSA-N -1 326.374 ED 1.274 0 Anodyne ref EDAARM O=C([O-])CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 CC1CCN(S(=O)(=O)c2ccc(NN=C(C#N)C#N)cc2)CC1 ZINC000000358142 54/83/32/209548332 SLUANMNWRBTJSU-UHFFFAOYSA-N 0 331.401 ED 1.922 0 Mild ref EDEARN CC1CCN(S(=O)(=O)c2ccc(NN=C(C#N)C#N)cc2)CC1 aggregator CCN(CC)S(=O)(=O)c1ccc(NN=C(C(C)=O)C(C)=O)cc1 ZINC000000358202 81/66/64/440816664 XTGBTGLTNKSGOH-UHFFFAOYSA-N 0 339.417 ED 1.663 0 Mild ref EDEARN CCN(CC)S(=O)(=O)c1ccc(NN=C(C(C)=O)C(C)=O)cc1 CC(=O)/C(=N/Nc1ccc(I)cc1)C(N)=O ZINC000000358211 81/56/03/440815603 DQRWWOHYKZJYDV-ZROIWOOFSA-N 0 331.113 ED 1.133 0 Mild ref EDEARN CC(=O)C(=NNc1ccc(I)cc1)C(N)=O NS(=O)(=O)c1ccc(NC(=S)NC(=O)C2CCCCC2)cc1 ZINC000000358931 81/57/32/440815732 JULGDQCQOZORRV-UHFFFAOYSA-N 0 341.458 ED 1.727 0 Anodyne ref EDAARN NS(=O)(=O)c1ccc(NC(=S)NC(=O)C2CCCCC2)cc1 Cc1cccc(C)c1OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000000359140 81/63/22/440816322 QFXHMVLGKPWPAA-UHFFFAOYSA-N 0 334.397 ED 1.968 0 Anodyne ref EDAARN Cc1cccc(C)c1OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 COc1ccc(C(=O)N2CCOCC2)cc1I ZINC000000372880 81/72/60/440817260 UPAMCRDXTGZNRM-UHFFFAOYSA-N 0 347.152 ED 1.772 0 Anodyne ref EDAARN COc1ccc(C(=O)N2CCOCC2)cc1I Cc1cc(C)cc(OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 ZINC000000516382 48/11/21/201481121 ZLVUDXYQROGYKX-UHFFFAOYSA-N 0 334.397 ED 1.968 0 Anodyne ref EDAARN Cc1cc(C)cc(OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 CN(C)S(=O)(=O)c1ccc(NC(=O)COc2ccccc2)cc1 ZINC000000556215 83/09/35/440830935 HDBRHCMEQBZFFB-UHFFFAOYSA-N 0 334.397 ED 1.954 0 Anodyne ref EDAARN CN(C)S(=O)(=O)c1ccc(NC(=O)COc2ccccc2)cc1 COc1ccc(C(=O)ON2C(=O)CCC2=O)cc1Br ZINC000000615332 68/03/50/209680350 RSXHPVXXWGCYNV-UHFFFAOYSA-N 0 328.118 ED 1.678 0 Mild ref EDEARN COc1ccc(C(=O)ON2C(=O)CCC2=O)cc1Br CC(=O)NC(=S)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000001003768 83/61/05/440836105 ZEZTZRDRZAHMQV-UHFFFAOYSA-N 0 341.458 ED 1.694 0 Anodyne ref EDAARN CC(=O)NC(=S)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 CCN(CC)S(=O)(=O)c1ccc(NC(=S)NC(C)=O)cc1 ZINC000001003770 83/60/30/440836030 KRNRKCAGWSUYLC-UHFFFAOYSA-N 0 329.447 ED 1.55 0 Anodyne ref EDAARN CCN(CC)S(=O)(=O)c1ccc(NC(=S)NC(C)=O)cc1 CC(=O)NC(=S)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1 ZINC000001003775 07/81/83/278078183 KASCBSVSQUVELH-UHFFFAOYSA-N 0 329.447 ED 1.596 0 Anodyne ref EDAARN CC(=O)NC(=S)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1 NS(=O)(=O)c1ccc(NC(=S)NC(=O)C2CCCC2)cc1 ZINC000001077882 83/87/58/440838758 FMPFZKLEPMVDPB-UHFFFAOYSA-N 0 327.431 ED 1.337 0 Anodyne ref EDAARN NS(=O)(=O)c1ccc(NC(=S)NC(=O)C2CCCC2)cc1 COc1ccc(C(=O)NCCNC(=O)c2ccc(OC)cc2)cc1 ZINC000001794693 85/36/97/440853697 ZHKVXXFLBDLGAL-UHFFFAOYSA-N 0 328.368 ED 1.864 0 Anodyne ref EDAARN COc1ccc(C(=O)NCCNC(=O)c2ccc(OC)cc2)cc1 C[C@@H](CNC(=O)COc1ccccc1)NC(=O)COc1ccccc1 ZINC000002132218 85/74/00/440857400 BUZXEZWMHUXRMH-HNNXBMFYSA-N 0 342.395 ED 1.765 0 Anodyne ref EDAARN C[C@@H](CNC(=O)COc1ccccc1)NC(=O)COc1ccccc1 C[C@H](CNC(=O)COc1ccccc1)NC(=O)COc1ccccc1 ZINC000002132220 85/75/99/440857599 BUZXEZWMHUXRMH-OAHLLOKOSA-N 0 342.395 ED 1.765 0 Anodyne ref EDAARN C[C@H](CNC(=O)COc1ccccc1)NC(=O)COc1ccccc1 CCOC(=O)CCC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000002136092 85/75/20/440857520 HXDCWXMAGZNMCU-UHFFFAOYSA-N 0 328.39 ED 1.219 0 Anodyne ref EDAARN CCOC(=O)CCC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 CN(C)S(=O)(=O)c1ccc(NC(=S)NC(=O)C2CCC2)cc1 ZINC000002136378 85/70/73/440857073 PVQNUWLXIZMTEN-UHFFFAOYSA-N 0 341.458 ED 1.55 0 Anodyne ref EDAARN CN(C)S(=O)(=O)c1ccc(NC(=S)NC(=O)C2CCC2)cc1 CC(C)CC(=O)NC(=S)Nc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000002136509 82/45/67/209824567 QTTKEVSMGLWJHO-UHFFFAOYSA-N 0 343.474 ED 1.796 0 Anodyne ref EDAARN CC(C)CC(=O)NC(=S)Nc1ccc(S(=O)(=O)N(C)C)cc1 C/C(O)=N/S(=O)(=O)c1ccc(NC(=S)NC(=O)C(C)C)cc1 ZINC000002137073 85/76/64/440857664 GLIPFPRONPHDSR-UHFFFAOYSA-N -1 343.43 ED 1.821 0 Mild ref EDEARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=S)NC(=O)C(C)C)cc1 CC(C)C(=O)NC(=S)Nc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000002137087 52/54/45/201525445 PCXXAMYWMMRVLR-UHFFFAOYSA-N 0 329.447 ED 1.406 0 Anodyne ref EDAARN CC(C)C(=O)NC(=S)Nc1ccc(S(=O)(=O)N(C)C)cc1 CCOC(=O)/C=C/C(=O)NC(=S)Nc1cc(OC)ccc1OC ZINC000002551749 86/59/27/209865927 ZRMBNHGGHAUBIJ-BQYQJAHWSA-N 0 338.385 ED 1.636 0 Anodyne ref EDAARN CCOC(=O)/C=C/C(=O)NC(=S)Nc1cc(OC)ccc1OC COC(=O)CCC(=O)NC(=S)Nc1sc(C)c(C)c1C(N)=O ZINC000002697828 89/14/64/209891464 NKNMHYWYHRTWCN-UHFFFAOYSA-N 0 343.43 ED 1.23 0 Anodyne ref EDAARN COC(=O)CCC(=O)NC(=S)Nc1sc(C)c(C)c1C(N)=O aggregator O=C(COc1ccccc1)NCCCNC(=O)COc1ccccc1 ZINC000002766346 98/37/61/526983761 DQFPCCUJWIFMHS-UHFFFAOYSA-N 0 342.395 ED 1.767 0 Anodyne ref EDAARN O=C(COc1ccccc1)NCCCNC(=O)COc1ccccc1 CCC(=O)NC(=S)Nc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000002868835 88/14/64/440881464 XMKOXEQKVLSADN-UHFFFAOYSA-N 0 329.447 ED 1.596 0 Anodyne ref EDAARN CCC(=O)NC(=S)Nc1ccc(S(=O)(=O)NC(C)C)cc1 CCOC(=O)CCC(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000002872266 88/11/97/440881197 KYJYPFQNMVBKLW-UHFFFAOYSA-N 0 342.417 ED 1.655 0 Anodyne ref EDAARN CCOC(=O)CCC(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 COc1ccc(C(=O)NC(=S)NCCO)cc1Br ZINC000002884313 55/04/08/201550408 MOZZCSKTILCGTM-UHFFFAOYSA-N 0 333.207 ED 1.054 0 Anodyne ref EDAARN COc1ccc(C(=O)NC(=S)NCCO)cc1Br O=C1CN(C(=S)NC(=O)c2ccc(-c3ccccc3)cc2)CCN1 ZINC000002885254 93/59/06/209935906 UAIYHGNARPTUOW-UHFFFAOYSA-N 0 339.42 ED 1.8 0 Anodyne ref EDAARN O=C1CN(C(=S)NC(=O)c2ccc(-c3ccccc3)cc2)CCN1 NS(=O)(=O)c1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000004016546 10/00/21/210100021 DQMLAVPFXMUMLA-UHFFFAOYSA-N 0 338.301 ED 1.894 0 Bother ref EDBARN NS(=O)(=O)c1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 O=C1N=C(O)/C(=N\Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)C(=O)N1 ZINC000004309432 91/55/54/440915554 AYKVLGUBGQXNLM-UHFFFAOYSA-N -2 346.086 ED 1.876 1 Mild mid EDEAML O=C1[N-]C(=O)C(=N[N-]c2c(Cl)cc([N+](=O)[O-])cc2Cl)C(=O)N1 O=C1N=C(O)/C(=N\Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)C(=O)N1 ZINC000004309432 91/55/49/440915549 AYKVLGUBGQXNLM-UHFFFAOYSA-N -2 346.086 ED 1.876 1 Mild mid EDEAML O=C1[N-]C(=O)/C(=N/[N-]c2c(Cl)cc([N+](=O)[O-])cc2Cl)C(=O)N1 O=C1N=C(O)/C(=N\Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)C(=O)N1 ZINC000004309432 91/55/41/440915541 AYKVLGUBGQXNLM-UHFFFAOYSA-N -2 346.086 ED 1.876 1 Mild mid EDEAML O=C1[N-]C(=O)/C(=N\[N-]c2c(Cl)cc([N+](=O)[O-])cc2Cl)C(=O)N1 O=C1N=C(O)/C(=N\Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)C(=O)N1 ZINC000004309432 91/55/32/440915532 AYKVLGUBGQXNLM-UHFFFAOYSA-N -1 346.086 ED 1.876 0 Mild ref EDEARM O=C1NC(=O)C(=N[N-]c2c(Cl)cc([N+](=O)[O-])cc2Cl)C(=O)N1 O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1 ZINC000004309547 16/58/04/210165804 LCYNKPQPDFSZHO-UHFFFAOYSA-N 0 346.408 ED 1.96 0 Anodyne ref EDAARN O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1 COC(=O)CCC(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 ZINC000004488295 20/14/93/210201493 KZFVIIUXGIVARE-LBPRGKRZSA-N 0 334.372 ED 1.487 0 Anodyne ref EDAARN COC(=O)CCC(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 COC(=O)CCC(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 ZINC000004488296 60/25/40/201602540 KZFVIIUXGIVARE-GFCCVEGCSA-N 0 334.372 ED 1.487 0 Anodyne ref EDAARN COC(=O)CCC(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 COC(=O)/C(C#N)=N\Nc1ccc(I)cc1 ZINC000004656921 23/99/28/210239928 METSRAKGVHTKQH-ZROIWOOFSA-N 0 329.097 ED 1.756 0 Mild ref EDEARN COC(=O)C(C#N)=NNc1ccc(I)cc1 NS(=O)(=O)c1ccc(CNC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000004696162 25/06/73/210250673 ITMKYTFEDWQHSR-UHFFFAOYSA-N 0 338.816 ED 1.846 0 Anodyne ref EDAARN NS(=O)(=O)c1ccc(CNC(=O)Cc2ccc(Cl)cc2)cc1 COc1ccccc1OCC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000004811230 92/86/59/440928659 CECAOCWTABJIIM-UHFFFAOYSA-N 0 344.367 ED 1.652 0 Anodyne ref EDAARN COc1ccccc1OCC(=O)N1CCN(C(=O)c2ccco2)CC1 C=CCNS(=O)(=O)c1ccc(NC(=O)CCC(=O)OCC)cc1 ZINC000004815476 28/50/38/210285038 JGURXLTUEQUNOH-UHFFFAOYSA-N 0 340.401 ED 1.433 0 Mild ref EDEARN C=CCNS(=O)(=O)c1ccc(NC(=O)CCC(=O)OCC)cc1 CC(C)(C)OC(=O)N1CCNC(=O)[C@@H]1CC(=O)OC1CCCCC1 ZINC000004943968 33/49/42/210334942 RZKQNLWNAQNZMG-ZDUSSCGKSA-N 0 340.42 ED 1.988 0 Anodyne ref EDAARN CC(C)(C)OC(=O)N1CCNC(=O)[C@@H]1CC(=O)OC1CCCCC1 CC(C)(C)OC(=O)N1CCNC(=O)[C@H]1CC(=O)OC1CCCCC1 ZINC000004943969 33/48/05/210334805 RZKQNLWNAQNZMG-CYBMUJFWSA-N 0 340.42 ED 1.988 0 Anodyne ref EDAARN CC(C)(C)OC(=O)N1CCNC(=O)[C@H]1CC(=O)OC1CCCCC1 Cc1ccccc1OCC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000005061042 37/99/12/210379912 ZWCYBLPCXHVELF-UHFFFAOYSA-N 0 328.368 ED 1.951 0 Anodyne ref EDAARN Cc1ccccc1OCC(=O)N1CCN(C(=O)c2ccco2)CC1 COc1ccc(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000005917004 97/27/99/440972799 WETAEZHEJUPLKT-UHFFFAOYSA-N 0 334.397 ED 1.201 0 Anodyne ref EDAARN COc1ccc(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 NC(=O)c1ccc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000006276548 98/54/73/440985473 SDDFKLQSVHLSFM-UHFFFAOYSA-N 0 344.352 ED 1.82 0 Bother ref EDBARN NC(=O)c1ccc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 O=C1NC(=O)C(=NNc2ccc(Br)c(Cl)c2)C(=O)N1 ZINC000006453088 99/29/51/440992951 YLCZIUWSOUNVEZ-UHFFFAOYSA-N 0 345.54 ED 1.236 2 Mild low EDEALN O=C1NC(=O)C(=NNc2ccc(Br)c(Cl)c2)C(=O)N1 O=C1NC(=O)C(=NNc2ccc(Br)c(Cl)c2)C(=O)N1 ZINC000006453088 99/29/45/440992945 YLCZIUWSOUNVEZ-UHFFFAOYSA-N -1 345.54 ED 1.236 0 Mild ref EDEARM O=C1[N-]C(=O)C(=NNc2ccc(Br)c(Cl)c2)C(=O)N1 CC(=O)NC(=S)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000006856963 02/02/23/441020223 BUSZBFMTWKKPPD-UHFFFAOYSA-N 0 327.431 ED 1.304 0 Anodyne ref EDAARN CC(=O)NC(=S)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 CC(C)C(=O)NC(=S)Nc1ccccc1C(=O)N1CCOCC1 ZINC000006858873 01/94/34/441019434 GNVVPUPREBGNCO-UHFFFAOYSA-N 0 335.429 ED 1.628 0 Anodyne ref EDAARN CC(C)C(=O)NC(=S)Nc1ccccc1C(=O)N1CCOCC1 COCCOC(=O)CCC(=O)NC(=S)Nc1ccccc1C#N ZINC000007498507 05/37/95/441053795 WCVQKVYSGPKWFX-UHFFFAOYSA-N -1 335.385 ED 1.341 3 Mild high EDEAHM COCCOC(=O)CCC(=O)NC(=S)[N-]c1ccccc1C#N COCCOC(=O)CCC(=O)NC(=S)Nc1ccccc1C#N ZINC000007498507 05/37/86/441053786 WCVQKVYSGPKWFX-UHFFFAOYSA-N 0 335.385 ED 1.341 0 Mild ref EDEARN COCCOC(=O)CCC(=O)NC(=S)Nc1ccccc1C#N COCCOC(=O)CCC(=O)NC(=S)Nc1cccc(O)c1 ZINC000007498595 05/42/88/441054288 AZUGYQNLLYFBCQ-UHFFFAOYSA-N 0 326.374 ED 1.175 0 Anodyne ref EDAARN COCCOC(=O)CCC(=O)NC(=S)Nc1cccc(O)c1 CCOC(=O)CCC(=O)Nc1ccccc1C(=O)N1CCOCC1 ZINC000008227823 08/68/76/441086876 QYWYCLIIRMEEQE-UHFFFAOYSA-N 0 334.372 ED 1.441 0 Anodyne ref EDAARN CCOC(=O)CCC(=O)Nc1ccccc1C(=O)N1CCOCC1 COCCNC(=O)c1ccc(OCCOC)c(Br)c1 ZINC000008722979 09/89/65/441098965 MBAMMLVKTZEWQR-UHFFFAOYSA-N 0 332.194 ED 1.85 0 Anodyne ref EDAARN COCCNC(=O)c1ccc(OCCOC)c(Br)c1 CCOC(=O)CC(=O)Nc1ccc(NC(=O)CC(=O)OCC)cc1 ZINC000009812618 12/40/65/211124065 QCJOKPRMOJSJHD-UHFFFAOYSA-N 0 336.344 ED 1.47 0 Anodyne ref EDAARN CCOC(=O)CC(=O)Nc1ccc(NC(=O)CC(=O)OCC)cc1 CN1CCN(C(=O)c2ccccc2NC(=O)CCCC(=O)O)CC1 ZINC000012137865 30/10/14/211301014 VSJCTCDZRPRIKI-UHFFFAOYSA-N 0 333.388 ED 1.268 2 Anodyne low EDAALN C[NH+]1CCN(C(=O)c2ccccc2NC(=O)CCCC(=O)[O-])CC1 CN1CCN(C(=O)c2ccccc2NC(=O)CCCC(=O)O)CC1 ZINC000012137865 30/10/10/211301010 VSJCTCDZRPRIKI-UHFFFAOYSA-N -1 333.388 ED 1.268 0 Anodyne ref EDAARM CN1CCN(C(=O)c2ccccc2NC(=O)CCCC(=O)[O-])CC1 CC(C)C(=O)NC(=S)Nc1cccc(C(=O)N2CCOCC2)c1 ZINC000012138728 30/37/75/211303775 VDPPELVNGIUFRG-UHFFFAOYSA-N 0 335.429 ED 1.628 0 Anodyne ref EDAARN CC(C)C(=O)NC(=S)Nc1cccc(C(=O)N2CCOCC2)c1 CCC(=O)NC(=S)Nc1ccc(C(=O)NC[C@@H]2CCCO2)cc1 ZINC000012138769 30/26/93/211302693 PFYUQLNOAUXFFC-ZDUSSCGKSA-N 0 335.429 ED 1.818 0 Anodyne ref EDAARN CCC(=O)NC(=S)Nc1ccc(C(=O)NC[C@@H]2CCCO2)cc1 CCC(=O)NC(=S)Nc1ccc(C(=O)NC[C@H]2CCCO2)cc1 ZINC000012138770 12/77/42/441127742 PFYUQLNOAUXFFC-CYBMUJFWSA-N 0 335.429 ED 1.818 0 Anodyne ref EDAARN CCC(=O)NC(=S)Nc1ccc(C(=O)NC[C@H]2CCCO2)cc1 COCCNC(=O)c1ccc(NC(=S)NC(=O)c2ccco2)cc1 ZINC000012138795 30/39/81/211303981 JKOKUDCUKNAPKG-UHFFFAOYSA-N 0 347.396 ED 1.783 0 Anodyne ref EDAARN COCCNC(=O)c1ccc(NC(=S)NC(=O)c2ccco2)cc1 COC(=O)c1cccc(C(=O)NC(=S)NCc2cccnc2)c1 ZINC000012138873 30/30/77/211303077 RLZMOOZDZXUGLA-UHFFFAOYSA-N 0 329.381 ED 1.673 0 Anodyne ref EDAARN COC(=O)c1cccc(C(=O)NC(=S)NCc2cccnc2)c1 N#C/C(=N/Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)C(N)=O ZINC000012374501 35/94/07/211359407 NQKSMLCFMJIEFC-RGEXLXHISA-N 0 349.416 ED 1.028 0 Mild ref EDEARN N#CC(=NNc1ccc(S(=O)(=O)N2CCCCCC2)cc1)C(N)=O NC(=S)N1N=C(c2ccccc2)/C(=N/Nc2nccs2)C1=O ZINC000012376588 35/99/58/211359958 QGLVJKKLGHQUPF-YBEGLDIGSA-N -1 330.398 ED 1.401 1 Mild mid EDEAMM NC(=S)n1[n-]c(-c2ccccc2)c(N=Nc2nccs2)c1=O NC(=S)N1N=C(c2ccccc2)/C(=N/Nc2nccs2)C1=O ZINC000012376588 35/99/53/211359953 QGLVJKKLGHQUPF-YBEGLDIGSA-N -1 330.398 ED 1.401 0 Mild ref EDEARM NC(=S)N1N=C(c2ccccc2)C(=N[N-]c2nccs2)C1=O O=C(O)CCCC(=O)Nc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000012403797 36/95/75/211369575 ZXLSDMNSUJZOMN-AWEZNQCLSA-N -1 334.372 ED 1.789 0 Anodyne ref EDAARM O=C([O-])CCCC(=O)Nc1cccc(C(=O)NC[C@@H]2CCCO2)c1 O=C(O)CCCC(=O)Nc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000012403798 36/93/83/211369383 ZXLSDMNSUJZOMN-CQSZACIVSA-N -1 334.372 ED 1.789 0 Anodyne ref EDAARM O=C([O-])CCCC(=O)Nc1cccc(C(=O)NC[C@H]2CCCO2)c1 COCCNC(=O)c1cccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)c1 ZINC000012403813 36/94/15/211369415 ZYDXPDMDBNDDGV-CABCVRRESA-N -1 348.399 ED 1.892 0 Anodyne ref EDAARM COCCNC(=O)c1cccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c1 COCCNC(=O)c1cccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)c1 ZINC000012403814 36/94/07/211369407 ZYDXPDMDBNDDGV-GJZGRUSLSA-N -1 348.399 ED 1.892 0 Anodyne ref EDAARM COCCNC(=O)c1cccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c1 COCCNC(=O)c1cccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)c1 ZINC000012403815 84/44/35/201844435 ZYDXPDMDBNDDGV-HUUCEWRRSA-N -1 348.399 ED 1.892 0 Anodyne ref EDAARM COCCNC(=O)c1cccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])c1 COCCNC(=O)c1cccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)c1 ZINC000012403816 36/90/56/211369056 ZYDXPDMDBNDDGV-LSDHHAIUSA-N -1 348.399 ED 1.892 0 Anodyne ref EDAARM COCCNC(=O)c1cccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c1 COc1ccc(/C=C(\NC(C)=O)C(=O)N2CCOCC2)cc1OC ZINC000012404097 36/90/70/211369070 VAMGJWIILGOHBQ-UVTDQMKNSA-N 0 334.372 ED 1.04 0 Anodyne ref EDAARN COc1ccc(/C=C(\NC(C)=O)C(=O)N2CCOCC2)cc1OC CCOC(=O)CCC(=O)Nc1ccc(C(=O)NC[C@@H]2CCCO2)cc1 ZINC000012404164 36/95/84/211369584 KCRGKYKDVFEYDU-HNNXBMFYSA-N 0 348.399 ED 1.877 0 Anodyne ref EDAARN CCOC(=O)CCC(=O)Nc1ccc(C(=O)NC[C@@H]2CCCO2)cc1 CCOC(=O)CCC(=O)Nc1ccc(C(=O)NC[C@H]2CCCO2)cc1 ZINC000012404165 36/88/11/211368811 KCRGKYKDVFEYDU-OAHLLOKOSA-N 0 348.399 ED 1.877 0 Anodyne ref EDAARN CCOC(=O)CCC(=O)Nc1ccc(C(=O)NC[C@H]2CCCO2)cc1 CCOC(=O)CCC(=O)Nc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000012404368 13/24/79/441132479 YNLVDNXDHUDUTG-HNNXBMFYSA-N 0 348.399 ED 1.877 0 Anodyne ref EDAARN CCOC(=O)CCC(=O)Nc1cccc(C(=O)NC[C@@H]2CCCO2)c1 CCOC(=O)CCC(=O)Nc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000012404369 36/93/78/211369378 YNLVDNXDHUDUTG-OAHLLOKOSA-N 0 348.399 ED 1.877 0 Anodyne ref EDAARN CCOC(=O)CCC(=O)Nc1cccc(C(=O)NC[C@H]2CCCO2)c1 O=C(NC[C@@H]1CCCO1)c1cccc(NC(=S)NC(=O)C2CC2)c1 ZINC000012404392 36/91/65/211369165 RVQQJTMVBFQZST-AWEZNQCLSA-N 0 347.44 ED 1.818 0 Anodyne ref EDAARN O=C(NC[C@@H]1CCCO1)c1cccc(NC(=S)NC(=O)C2CC2)c1 O=C(NC[C@H]1CCCO1)c1cccc(NC(=S)NC(=O)C2CC2)c1 ZINC000012404393 13/26/56/441132656 RVQQJTMVBFQZST-CQSZACIVSA-N 0 347.44 ED 1.818 0 Anodyne ref EDAARN O=C(NC[C@H]1CCCO1)c1cccc(NC(=S)NC(=O)C2CC2)c1 CCC(=O)NC(=S)Nc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000012404441 13/28/41/441132841 UDMSQGIHGRKWND-ZDUSSCGKSA-N 0 335.429 ED 1.818 0 Anodyne ref EDAARN CCC(=O)NC(=S)Nc1cccc(C(=O)NC[C@@H]2CCCO2)c1 CCC(=O)NC(=S)Nc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000012404442 36/91/68/211369168 UDMSQGIHGRKWND-CYBMUJFWSA-N 0 335.429 ED 1.818 0 Anodyne ref EDAARN CCC(=O)NC(=S)Nc1cccc(C(=O)NC[C@H]2CCCO2)c1 O=C(NC[C@@H]1CCCO1)c1ccc(NC(=S)NC(=O)C2CC2)cc1 ZINC000012405986 37/03/91/211370391 FLUFDLLDAKRWTB-AWEZNQCLSA-N 0 347.44 ED 1.818 0 Anodyne ref EDAARN O=C(NC[C@@H]1CCCO1)c1ccc(NC(=S)NC(=O)C2CC2)cc1 O=C(NC[C@H]1CCCO1)c1ccc(NC(=S)NC(=O)C2CC2)cc1 ZINC000012405987 13/24/39/441132439 FLUFDLLDAKRWTB-CQSZACIVSA-N 0 347.44 ED 1.818 0 Anodyne ref EDAARN O=C(NC[C@H]1CCCO1)c1ccc(NC(=S)NC(=O)C2CC2)cc1 O=C(NC(=S)Nc1ccc(C(=O)N2CCOCC2)cc1)C1CC1 ZINC000012406003 37/05/63/211370563 ALAKHWRKORUFJE-UHFFFAOYSA-N 0 333.413 ED 1.382 0 Anodyne ref EDAARN O=C(NC(=S)Nc1ccc(C(=O)N2CCOCC2)cc1)C1CC1 CC(C)C(=O)NC(=S)Nc1ccc(C(=O)N2CCOCC2)cc1 ZINC000012406009 33/23/96/277332396 YDBDZFKMYBJTEZ-UHFFFAOYSA-N 0 335.429 ED 1.628 0 Anodyne ref EDAARN CC(C)C(=O)NC(=S)Nc1ccc(C(=O)N2CCOCC2)cc1