CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc2c(c1)OCO2 ZINC000000026593 62/14/73/263621473 CIUUDCOYHBMQHM-MRXNPFEDSA-N 0 338.363 EF 2.866 0 Reactive ref EFGARN CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc2c(c1)OCO2 COC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1 ZINC000000028536 31/69/15/471316915 FKJKSILMIHNWTP-UHFFFAOYSA-N 0 340.404 EF 2.959 0 Anodyne ref EFAARN COC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1 Cc1[nH]c2ccc([N+](=O)[O-])cc2c1CCN1C(=O)OC(C)(C)[C@]1(C)O ZINC000000032651 31/79/72/471317972 PQWKJLYHYFPUPI-KRWDZBQOSA-N 0 347.371 EF 2.866 0 Bother ref EFBARN Cc1[nH]c2ccc([N+](=O)[O-])cc2c1CCN1C(=O)OC(C)(C)[C@]1(C)O COc1cc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)ccc1O ZINC000000035464 31/89/96/471318996 BKVIERAQXDUEEP-UDWIEESQSA-N 0 337.379 EF 2.949 0 Mild ref EFEARN COc1cc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)ccc1O COc1ccc(CCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000000036543 31/82/09/471318209 KDOHTODTTGVPNS-UHFFFAOYSA-N 0 330.34 EF 2.585 0 Bother ref EFBARN COc1ccc(CCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC COc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)cc1 ZINC000000037946 55/46/21/208554621 IUJUDKHYWKXAIY-KRWDZBQOSA-N -1 338.363 EF 2.602 0 Anodyne ref EFAARM COc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 in-vitro biogenic COc1ccc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)cc1 ZINC000000037947 31/86/79/471318679 IUJUDKHYWKXAIY-QGZVFWFLSA-N -1 338.363 EF 2.602 0 Anodyne ref EFAARM COc1ccc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 in-vitro biogenic CCOC(=O)c1ccc(NC(=O)COc2ccc(OC)cc2)cc1 ZINC000000039137 31/88/27/471318827 WUHJYRYFGDVMSR-UHFFFAOYSA-N 0 329.352 EF 2.889 0 Anodyne ref EFAARN CCOC(=O)c1ccc(NC(=O)COc2ccc(OC)cc2)cc1 COc1ccc([C@@H]2NCCc3cc(OC)c(OC)cc32)cc1OC ZINC000000053693 31/86/45/471318645 GFMUOHMXSGNQTF-IBGZPJMESA-N 0 329.396 EF 2.956 1 Anodyne mid EFAAMN COc1ccc([C@@H]2NCCc3cc(OC)c(OC)cc32)cc1OC COc1ccc([C@@H]2NCCc3cc(OC)c(OC)cc32)cc1OC ZINC000000053693 31/86/35/471318635 GFMUOHMXSGNQTF-IBGZPJMESA-N 1 329.396 EF 2.956 0 Anodyne ref EFAARO COc1ccc([C@@H]2[NH2+]CCc3cc(OC)c(OC)cc32)cc1OC COc1ccc([C@H]2NCCc3cc(OC)c(OC)cc32)cc1OC ZINC000000053694 93/61/63/277936163 GFMUOHMXSGNQTF-LJQANCHMSA-N 0 329.396 EF 2.956 1 Anodyne mid EFAAMN COc1ccc([C@H]2NCCc3cc(OC)c(OC)cc32)cc1OC COc1ccc([C@H]2NCCc3cc(OC)c(OC)cc32)cc1OC ZINC000000053694 93/61/61/277936161 GFMUOHMXSGNQTF-LJQANCHMSA-N 1 329.396 EF 2.956 0 Anodyne ref EFAARO COc1ccc([C@H]2[NH2+]CCc3cc(OC)c(OC)cc32)cc1OC CCOC(=O)c1cnn(-c2ccc(OC(F)(F)Cl)cc2)c1N ZINC000000054293 39/18/55/209391855 MYARUKRSKKDEHE-UHFFFAOYSA-N 0 331.706 EF 2.799 0 Anodyne ref EFAARN CCOC(=O)c1cnn(-c2ccc(OC(F)(F)Cl)cc2)c1N O=C(N[C@H](c1ccccc1)n1nnc2ccccc21)c1cccnc1 ZINC000000057037 39/31/11/209393111 BABUDAQOHSIBJR-SFHVURJKSA-N 0 329.363 EF 2.803 0 Anodyne ref EFAARN O=C(N[C@H](c1ccccc1)n1nnc2ccccc21)c1cccnc1 O=C(N[C@@H](c1ccccc1)n1nnc2ccccc21)c1cccnc1 ZINC000000057038 39/34/92/209393492 BABUDAQOHSIBJR-GOSISDBHSA-N 0 329.363 EF 2.803 0 Anodyne ref EFAARN O=C(N[C@@H](c1ccccc1)n1nnc2ccccc21)c1cccnc1 COc1ccc(CCNC(=O)c2ccccc2[N+](=O)[O-])cc1OC ZINC000000068233 39/87/01/209398701 YWFDPMZSVPNYHJ-UHFFFAOYSA-N 0 330.34 EF 2.585 0 Bother ref EFBARN COc1ccc(CCNC(=O)c2ccccc2[N+](=O)[O-])cc1OC COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1OC ZINC000000070990 62/23/89/263622389 CSSXJVCMPZLGJK-INIZCTEOSA-N 0 326.352 EF 2.519 0 Reactive ref EFGARN COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1OC CC(=O)C1=C(O)C(=O)N(CCC(=O)O)[C@H]1c1ccc(C(C)C)cc1 ZINC000000074457 40/30/25/209403025 YNYIRYJQVBFYET-INIZCTEOSA-N -1 331.368 EF 2.569 0 Mild ref EFEARM CC(=O)C1=C(O)C(=O)N(CCC(=O)[O-])[C@H]1c1ccc(C(C)C)cc1 CC(=O)C1=C(O)C(=O)N(CCC(=O)O)[C@@H]1c1ccc(C(C)C)cc1 ZINC000000074467 31/97/92/471319792 YNYIRYJQVBFYET-MRXNPFEDSA-N -1 331.368 EF 2.569 0 Mild ref EFEARM CC(=O)C1=C(O)C(=O)N(CCC(=O)[O-])[C@@H]1c1ccc(C(C)C)cc1 Nc1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)s1 ZINC000000075735 31/98/69/471319869 ORUWSBQDTXQOHD-UHFFFAOYSA-N 0 334.348 EF 2.87 0 Anodyne ref EFAARN Nc1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)s1 CCOc1ccccc1NC(=O)C[C@@H]1Nc2ccccc2NC1=O ZINC000000077659 43/08/04/201430804 KJDGWDOKFNAOLF-HNNXBMFYSA-N 0 325.368 EF 2.847 0 Anodyne ref EFAARN CCOc1ccccc1NC(=O)C[C@@H]1Nc2ccccc2NC1=O aggregator CCOc1ccccc1NC(=O)C[C@H]1Nc2ccccc2NC1=O ZINC000000077663 40/42/55/209404255 KJDGWDOKFNAOLF-OAHLLOKOSA-N 0 325.368 EF 2.847 0 Anodyne ref EFAARN CCOc1ccccc1NC(=O)C[C@H]1Nc2ccccc2NC1=O aggregator COc1ccc(CCNS(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000000087365 32/17/84/471321784 UOGKETJBQQAPPZ-UHFFFAOYSA-N 0 335.425 EF 2.533 0 Anodyne ref EFAARN COc1ccc(CCNS(=O)(=O)c2ccc(C)cc2)cc1OC O=C(O)c1ccccc1S[C@H]1CC(=O)N(c2ccccc2)C1=O ZINC000000099222 32/33/73/471323373 POYASDCQBXPHNL-AWEZNQCLSA-N -1 327.361 EF 2.809 0 Anodyne ref EFAARM O=C([O-])c1ccccc1S[C@H]1CC(=O)N(c2ccccc2)C1=O Cc1cccc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Br)c1C ZINC000000113849 32/49/63/471324963 GMZBMDOUZLUAMY-UHFFFAOYSA-N -1 339.149 EF 2.95 3 Bother high EFBAHM Cc1cccc(NC(=O)c2[n-]nc([N+](=O)[O-])c2Br)c1C Cc1cccc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Br)c1C ZINC000000113849 32/49/60/471324960 GMZBMDOUZLUAMY-UHFFFAOYSA-N -1 339.149 EF 2.95 3 Bother high EFBAHM Cc1cccc(NC(=O)c2n[n-]c([N+](=O)[O-])c2Br)c1C Cc1cccc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Br)c1C ZINC000000113849 32/49/54/471324954 GMZBMDOUZLUAMY-UHFFFAOYSA-N 0 339.149 EF 2.95 0 Bother ref EFBARN Cc1cccc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Br)c1C NC(=O)c1c(NC(=O)C(=S)Nc2ccccc2)sc2c1CCC2 ZINC000000115990 36/25/76/283362576 MDQIZLDTXOMSKC-UHFFFAOYSA-N 0 345.449 EF 2.714 0 Anodyne ref EFAARN NC(=O)c1c(NC(=O)C(=S)Nc2ccccc2)sc2c1CCC2 Cc1cc(N2CCOCC2)nc(S[C@@H](C(=O)O)c2ccccc2)n1 ZINC000000128042 32/62/71/471326271 RHRSBTVNCCOGDJ-OAHLLOKOSA-N 0 345.424 EF 2.54 2 Anodyne low EFAALN Cc1cc(N2CCOCC2)nc(S[C@@H](C(=O)[O-])c2ccccc2)[nH+]1 Cc1cc(N2CCOCC2)nc(S[C@@H](C(=O)O)c2ccccc2)n1 ZINC000000128042 32/62/66/471326266 RHRSBTVNCCOGDJ-OAHLLOKOSA-N -1 345.424 EF 2.54 0 Anodyne ref EFAARM Cc1cc(N2CCOCC2)nc(S[C@@H](C(=O)[O-])c2ccccc2)n1 COc1cc2c(cc1O)C[C@H]1c3c(cc(O)c(OC)c3-2)CCN1C ZINC000000135449 10/25/40/274102540 LZJRNLRASBVRRX-ZDUSSCGKSA-N 1 327.38 EF 2.867 1 Anodyne mid EFAAMO COc1cc2c(cc1O)C[C@H]1c3c(cc(O)c(OC)c3-2)CC[N@@H+]1C in-man endogenous COc1cc2c(cc1O)C[C@H]1c3c(cc(O)c(OC)c3-2)CCN1C ZINC000000135449 10/25/38/274102538 LZJRNLRASBVRRX-ZDUSSCGKSA-N 1 327.38 EF 2.867 1 Anodyne mid EFAAMO COc1cc2c(cc1O)C[C@H]1c3c(cc(O)c(OC)c3-2)CC[N@H+]1C in-man endogenous COc1cc2c(cc1O)C[C@H]1c3c(cc(O)c(OC)c3-2)CCN1C ZINC000000135449 10/25/32/274102532 LZJRNLRASBVRRX-ZDUSSCGKSA-N 0 327.38 EF 2.867 0 Anodyne ref EFAARN COc1cc2c(cc1O)C[C@H]1c3c(cc(O)c(OC)c3-2)CCN1C in-man endogenous COc1cc2c(cc1O)C[C@@H]1c3c(cc(O)c(OC)c3-2)CCN1C ZINC000000135453 32/68/69/471326869 LZJRNLRASBVRRX-CYBMUJFWSA-N 1 327.38 EF 2.867 1 Anodyne mid EFAAMO COc1cc2c(cc1O)C[C@@H]1c3c(cc(O)c(OC)c3-2)CC[N@@H+]1C in-man endogenous COc1cc2c(cc1O)C[C@@H]1c3c(cc(O)c(OC)c3-2)CCN1C ZINC000000135453 32/68/65/471326865 LZJRNLRASBVRRX-CYBMUJFWSA-N 1 327.38 EF 2.867 1 Anodyne mid EFAAMO COc1cc2c(cc1O)C[C@@H]1c3c(cc(O)c(OC)c3-2)CC[N@H+]1C in-man endogenous COc1cc2c(cc1O)C[C@@H]1c3c(cc(O)c(OC)c3-2)CCN1C ZINC000000135453 32/68/49/471326849 LZJRNLRASBVRRX-CYBMUJFWSA-N 0 327.38 EF 2.867 0 Anodyne ref EFAARN COc1cc2c(cc1O)C[C@@H]1c3c(cc(O)c(OC)c3-2)CCN1C in-man endogenous COc1cc(Br)c(Br)cc1OCC(=O)O ZINC000000142144 43/97/10/201439710 RUHTXCNDIRSPCB-UHFFFAOYSA-N -1 339.967 EF 2.684 0 Anodyne ref EFAARM COc1cc(Br)c(Br)cc1OCC(=O)[O-] O=c1c(Br)c(Br)cnn1-c1ccccc1 ZINC000000147973 20/55/84/285205584 NQJXEMRMTOSSBQ-UHFFFAOYSA-N 0 329.979 EF 2.758 0 Anodyne ref EFAARN O=c1c(Br)c(Br)cnn1-c1ccccc1 O=C(O)CN1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O ZINC000000151448 06/71/64/304067164 FHIZSYJTTDFYKS-UHFFFAOYSA-N -1 342.949 EF 2.981 0 Anodyne ref EFAARM O=C([O-])CN1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O CC(C)NC(=O)N1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O ZINC000000154980 32/89/94/471328994 ONUFESLQCSAYKA-UHFFFAOYSA-N 0 330.171 EF 2.88 0 Anodyne ref EFAARN CC(C)NC(=O)N1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O in-man endogenous O=C(O)c1cc(Br)cc(I)c1 ZINC000000156377 22/11/45/304221145 MKJBJYCBKXPQSY-UHFFFAOYSA-N -1 326.915 EF 2.752 0 Anodyne ref EFAARM O=C([O-])c1cc(Br)cc(I)c1 CCOC(=O)c1ccc(NC(=O)COc2ccccc2OC)cc1 ZINC000000190624 33/25/01/471332501 AHNAYKOKHDHSNQ-UHFFFAOYSA-N 0 329.352 EF 2.889 0 Anodyne ref EFAARN CCOC(=O)c1ccc(NC(=O)COc2ccccc2OC)cc1 CCOc1ccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000000191061 33/22/85/471332285 UZJDFQZICYJVPS-UHFFFAOYSA-N -1 334.397 EF 2.845 3 Anodyne high EFAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 CCOc1ccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000000191061 33/22/74/471332274 UZJDFQZICYJVPS-UHFFFAOYSA-N 0 334.397 EF 2.845 0 Anodyne ref EFAARN CCOc1ccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 COc1ccc([C@@H](CC(=O)O)NC(=O)c2ccc(F)cc2)cc1OC ZINC000000203391 33/48/02/471334802 ACTVIHDNOUGKEQ-CQSZACIVSA-N -1 347.342 EF 2.789 0 Anodyne ref EFAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(F)cc2)cc1OC COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccc(F)cc2)cc1OC ZINC000000203403 48/19/78/209481978 BAZGVEVIVJMDHK-AWEZNQCLSA-N -1 347.342 EF 2.789 0 Anodyne ref EFAARM COc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)cc1OC COc1ccc(C(=O)N[C@H](CC(=O)O)c2ccc(F)cc2)cc1OC ZINC000000203406 48/22/98/209482298 BAZGVEVIVJMDHK-CQSZACIVSA-N -1 347.342 EF 2.789 0 Anodyne ref EFAARM COc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)cc1OC CCN(CC)S(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl ZINC000000246283 34/01/51/471340151 PJAZEADZNVJRAL-UHFFFAOYSA-N -1 326.201 EF 2.722 0 Anodyne ref EFAARM CCN(CC)S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl O=C(O)c1cc(S(=O)(=O)N2CCCCC2)c(Cl)cc1Cl ZINC000000246285 34/00/25/471340025 WMSIRTDPQHCVPS-UHFFFAOYSA-N -1 338.212 EF 2.866 0 Anodyne ref EFAARM O=C([O-])c1cc(S(=O)(=O)N2CCCCC2)c(Cl)cc1Cl CCOc1cc(C=O)ccc1OCC(=O)Nc1ccccc1OC ZINC000000261779 45/46/87/201454687 IJDFHMWXNJOGEM-UHFFFAOYSA-N 0 329.352 EF 2.924 0 Anodyne ref EFAARN CCOc1cc(C=O)ccc1OCC(=O)Nc1ccccc1OC CCOc1ccc(NC(=O)COc2ccc(C=O)cc2OC)cc1 ZINC000000261808 34/17/98/471341798 ZZNKXGOOXACZPD-UHFFFAOYSA-N 0 329.352 EF 2.924 0 Anodyne ref EFAARN CCOc1ccc(NC(=O)COc2ccc(C=O)cc2OC)cc1 Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)O)c2ccc(F)cc2)cc1 ZINC000000278454 34/29/22/471342922 WOPSXEFXWDHPLJ-HNNXBMFYSA-N -1 337.372 EF 2.628 0 Anodyne ref EFAARM Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)cc1 Cc1ccc(S(=O)(=O)N[C@H](CC(=O)O)c2ccc(F)cc2)cc1 ZINC000000278458 45/56/81/201455681 WOPSXEFXWDHPLJ-OAHLLOKOSA-N -1 337.372 EF 2.628 0 Anodyne ref EFAARM Cc1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)cc1 C=CCn1c(S[C@H]2CCOC2=O)nc2sc(C)c(C)c2c1=O ZINC000000279913 34/30/07/471343007 UMXXHFUFIJPZSA-JTQLQIEISA-N 0 336.438 EF 2.668 0 Mild ref EFEARN C=CCn1c(S[C@H]2CCOC2=O)nc2sc(C)c(C)c2c1=O C=CCn1c(S[C@@H]2CCOC2=O)nc2sc(C)c(C)c2c1=O ZINC000000279915 34/26/69/471342669 UMXXHFUFIJPZSA-SNVBAGLBSA-N 0 336.438 EF 2.668 0 Mild ref EFEARN C=CCn1c(S[C@@H]2CCOC2=O)nc2sc(C)c(C)c2c1=O COc1ccc([C@H](CC(=O)O)N2C(=O)c3ccccc3C2=O)cc1 ZINC000000310308 34/55/90/471345590 XNBNLIGGWMBCAA-HNNXBMFYSA-N -1 325.32 EF 2.507 0 Anodyne ref EFAARM COc1ccc([C@H](CC(=O)[O-])N2C(=O)c3ccccc3C2=O)cc1 Cc1ccc(S(=O)(=O)N(Cc2ccccc2)C[C@H](C)C(=O)O)cc1 ZINC000000323624 46/07/70/201460770 KGGQQAQHEMCAKI-HNNXBMFYSA-N -1 347.436 EF 2.907 0 Anodyne ref EFAARM Cc1ccc(S(=O)(=O)N(Cc2ccccc2)C[C@H](C)C(=O)[O-])cc1 Nc1ccc(-c2ccc(S(=O)(=O)c3cccc(N)c3)cc2N)cc1 ZINC000000334973 34/96/84/295349684 QSVALUVLFXVSNI-UHFFFAOYSA-N 0 339.42 EF 2.933 0 Anodyne ref EFAARN Nc1ccc(-c2ccc(S(=O)(=O)c3cccc(N)c3)cc2N)cc1 CCOC(=O)COc1c(Br)cc(C=O)cc1OCC ZINC000000336066 34/84/37/471348437 YZGGSTPZPGACLT-UHFFFAOYSA-N 0 331.162 EF 2.602 0 Anodyne ref EFAARN CCOC(=O)COc1c(Br)cc(C=O)cc1OCC CCOC(=O)COc1cc(Br)c(C=O)cc1OCC ZINC000000336067 46/18/45/201461845 BIHWGCMPPPIAIG-UHFFFAOYSA-N 0 331.162 EF 2.602 0 Anodyne ref EFAARN CCOC(=O)COc1cc(Br)c(C=O)cc1OCC C=CCn1c(SCC(=O)O)nc2sc3c(c2c1=O)CCCC3 ZINC000000352252 35/10/12/471351012 FAUABQMXVULMHS-UHFFFAOYSA-N -1 336.438 EF 2.7 0 Mild ref EFEARM C=CCn1c(SCC(=O)[O-])nc2sc3c(c2c1=O)CCCC3 O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc3c(c2)OCO3)N1 ZINC000000352579 45/03/30/284450330 MDXJJOKTGDJRNN-RHSMWYFYSA-N -1 336.347 EF 2.585 3 Anodyne high EFAAHM O=C([O-])[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc3c(c2)OCO3)N1 O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc3c(c2)OCO3)N1 ZINC000000352579 45/03/25/284450325 MDXJJOKTGDJRNN-RHSMWYFYSA-N 0 336.347 EF 2.585 0 Anodyne ref EFAARN O=C([O-])[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc3c(c2)OCO3)[NH2+]1 O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc3c(c2)OCO3)N1 ZINC000000352586 15/12/01/304151201 MDXJJOKTGDJRNN-WMLDXEAASA-N -1 336.347 EF 2.585 3 Anodyne high EFAAHM O=C([O-])[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc3c(c2)OCO3)N1 O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc3c(c2)OCO3)N1 ZINC000000352586 15/11/95/304151195 MDXJJOKTGDJRNN-WMLDXEAASA-N 0 336.347 EF 2.585 0 Anodyne ref EFAARN O=C([O-])[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc3c(c2)OCO3)[NH2+]1 O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc3c(c2)OCO3)N1 ZINC000000352587 07/23/49/280072349 MDXJJOKTGDJRNN-PBHICJAKSA-N -1 336.347 EF 2.585 3 Anodyne high EFAAHM O=C([O-])[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc3c(c2)OCO3)N1 O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc3c(c2)OCO3)N1 ZINC000000352587 07/23/46/280072346 MDXJJOKTGDJRNN-PBHICJAKSA-N 0 336.347 EF 2.585 0 Anodyne ref EFAARN O=C([O-])[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc3c(c2)OCO3)[NH2+]1 O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc3c(c2)OCO3)N1 ZINC000000352590 98/75/42/295987542 MDXJJOKTGDJRNN-YOEHRIQHSA-N -1 336.347 EF 2.585 3 Anodyne high EFAAHM O=C([O-])[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc3c(c2)OCO3)N1 O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc3c(c2)OCO3)N1 ZINC000000352590 98/75/40/295987540 MDXJJOKTGDJRNN-YOEHRIQHSA-N 0 336.347 EF 2.585 0 Anodyne ref EFAARN O=C([O-])[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc3c(c2)OCO3)[NH2+]1 CCOc1cc(/C=N/O)cc(I)c1OCC ZINC000000371073 35/18/21/471351821 NVZJOFOXXHQJRF-NTUHNPAUSA-N -1 335.141 EF 2.897 3 Mild high EFEAHM CCOc1cc(/C=N/[O-])cc(I)c1OCC CCOc1cc(/C=N/O)cc(I)c1OCC ZINC000000371073 35/18/14/471351814 NVZJOFOXXHQJRF-NTUHNPAUSA-N 0 335.141 EF 2.897 0 Mild ref EFEARN CCOc1cc(/C=N/O)cc(I)c1OCC Cn1cc(Br)c(C(=O)Oc2ccc(Cl)cc2C=O)n1 ZINC000000373460 35/18/66/471351866 CVLPSRJUKOCOEZ-UHFFFAOYSA-N 0 343.564 EF 2.868 0 Anodyne ref EFAARN Cn1cc(Br)c(C(=O)Oc2ccc(Cl)cc2C=O)n1 C=CCn1c(SCC(=O)OCC)nc2sc(C)c(C)c2c1=O ZINC000000380268 35/25/80/471352580 GIRCMTHCUBUQKG-UHFFFAOYSA-N 0 338.454 EF 2.916 0 Mild ref EFEARN C=CCn1c(SCC(=O)OCC)nc2sc(C)c(C)c2c1=O COC(=O)c1ccc(CSc2nnnn2Cc2ccccc2)cc1 ZINC000000382004 35/24/55/471352455 NAMALABKROWNOF-UHFFFAOYSA-N 0 340.408 EF 2.8 0 Anodyne ref EFAARN COC(=O)c1ccc(CSc2nnnn2Cc2ccccc2)cc1 CCOc1cc(C=O)ccc1OCC(=O)Nc1ccc(OC)cc1 ZINC000000411845 35/42/32/471354232 QQOOXXHWBJLDNH-UHFFFAOYSA-N 0 329.352 EF 2.924 0 Anodyne ref EFAARN CCOc1cc(C=O)ccc1OCC(=O)Nc1ccc(OC)cc1 COC(=O)c1sccc1NC(=O)c1cc2ccccc2oc1=O ZINC000000432945 35/99/42/471359942 QEZPWIIYPYZYGN-UHFFFAOYSA-N 0 329.333 EF 2.893 0 Anodyne ref EFAARN COC(=O)c1sccc1NC(=O)c1cc2ccccc2oc1=O CCOC(=O)c1ccc(NC(=O)COc2ccccc2C=O)cc1 ZINC000000465148 04/85/36/258048536 VMOUYSGHIVAMIW-UHFFFAOYSA-N 0 327.336 EF 2.693 0 Anodyne ref EFAARN CCOC(=O)c1ccc(NC(=O)COc2ccccc2C=O)cc1 O=Cc1cc(Br)ccc1OCC(=O)NCc1ccccc1 ZINC000000465785 04/84/50/258048450 KGNHHRKBXHLLJD-UHFFFAOYSA-N 0 348.196 EF 2.957 0 Anodyne ref EFAARN O=Cc1cc(Br)ccc1OCC(=O)NCc1ccccc1 CCOc1cc(C=O)ccc1OCC(=O)NCCc1ccccc1 ZINC000000465996 36/28/47/471362847 JTPCUYBKBMCLAV-UHFFFAOYSA-N 0 327.38 EF 2.636 0 Anodyne ref EFAARN CCOc1cc(C=O)ccc1OCC(=O)NCCc1ccccc1 COc1cc(/C=C/C(=O)O)ccc1OCC(=O)Nc1ccccc1 ZINC000000466149 61/80/97/209618097 XHVKTDRQOZEKGX-CSKARUKUSA-N -1 327.336 EF 2.811 0 Anodyne ref EFAARM COc1cc(/C=C/C(=O)[O-])ccc1OCC(=O)Nc1ccccc1 CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(N(CC)CC)cc1 ZINC000000466422 36/29/67/471362967 NXYJUQAFIYLINH-INIZCTEOSA-N 0 331.416 EF 2.724 1 Clean mid EFCAMN CCOC(=O)C1C(C)=NC(=O)N[C@H]1c1ccc(N(CC)CC)cc1 CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(N(CC)CC)cc1 ZINC000000466422 36/29/51/471362951 NXYJUQAFIYLINH-INIZCTEOSA-N 0 331.416 EF 2.724 0 Clean ref EFCARN CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(N(CC)CC)cc1 CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(N(CC)CC)cc1 ZINC000000466423 36/30/35/471363035 NXYJUQAFIYLINH-MRXNPFEDSA-N 0 331.416 EF 2.724 1 Clean mid EFCAMN CCOC(=O)C1C(C)=NC(=O)N[C@@H]1c1ccc(N(CC)CC)cc1 CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(N(CC)CC)cc1 ZINC000000466423 36/30/30/471363030 NXYJUQAFIYLINH-MRXNPFEDSA-N 0 331.416 EF 2.724 0 Clean ref EFCARN CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(N(CC)CC)cc1 O=C(COc1ccc(Br)cc1CO)Nc1ccccc1 ZINC000000612835 37/39/07/471373907 YJRDTKBLHCTIEQ-UHFFFAOYSA-N 0 336.185 EF 2.959 0 Anodyne ref EFAARN O=C(COc1ccc(Br)cc1CO)Nc1ccccc1 CCOc1cc(C=O)cc(Br)c1O[C@H](C)C(=O)OC ZINC000000612910 37/34/22/471373422 KESJREQXWPBFRJ-MRVPVSSYSA-N 0 331.162 EF 2.601 0 Anodyne ref EFAARN CCOc1cc(C=O)cc(Br)c1O[C@H](C)C(=O)OC CCOC(=O)[C@@H](C)Oc1c(Br)cc(C=O)cc1OC ZINC000000618704 68/23/81/209682381 DYMZKHNCCPUNSE-MRVPVSSYSA-N 0 331.162 EF 2.601 0 Anodyne ref EFAARN CCOC(=O)[C@@H](C)Oc1c(Br)cc(C=O)cc1OC CCOC(=O)[C@H](C)Oc1c(Br)cc(C=O)cc1OC ZINC000000618705 37/49/49/471374949 DYMZKHNCCPUNSE-QMMMGPOBSA-N 0 331.162 EF 2.601 0 Anodyne ref EFAARN CCOC(=O)[C@H](C)Oc1c(Br)cc(C=O)cc1OC CCOC(=O)[C@@H](C)Oc1cc(Br)c(C=O)cc1OC ZINC000000619392 49/15/66/201491566 QZFNJVATOUTMIP-MRVPVSSYSA-N 0 331.162 EF 2.601 0 Anodyne ref EFAARN CCOC(=O)[C@@H](C)Oc1cc(Br)c(C=O)cc1OC CCOC(=O)[C@H](C)Oc1cc(Br)c(C=O)cc1OC ZINC000000619394 37/47/76/471374776 QZFNJVATOUTMIP-QMMMGPOBSA-N 0 331.162 EF 2.601 0 Anodyne ref EFAARN CCOC(=O)[C@H](C)Oc1cc(Br)c(C=O)cc1OC COc1ccccc1/C=C1/SC(=S)N(CCCC(=O)O)C1=O ZINC000000966899 69/58/31/209695831 BTCMQQGKQFZTRR-FMIVXFBMSA-N -1 337.422 EF 2.761 0 Clean ref EFCARM COc1ccccc1/C=C1/SC(=S)N(CCCC(=O)[O-])C1=O O=C(O)CN1C(=O)/C(=C\c2c(F)cccc2Cl)SC1=S ZINC000000966922 37/90/27/471379027 DOMOTUMTOUMEGU-RUDMXATFSA-N -1 331.777 EF 2.765 0 Clean ref EFCBRM O=C([O-])CN1C(=O)/C(=C\c2c(F)cccc2Cl)SC1=S O=C(O)CCCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S ZINC000000966975 04/85/84/304048584 IZMJTWCXUUYGLB-FLIBITNWSA-N -1 325.386 EF 2.892 0 Clean ref EFCARM O=C([O-])CCCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S CCOc1ccccc1/C=C1/SC(=S)N(CCC(=O)O)C1=O ZINC000000967006 37/82/37/471378237 QVFVUVSYXYZIFQ-FMIVXFBMSA-N -1 337.422 EF 2.761 0 Clean ref EFCARM CCOc1ccccc1/C=C1/SC(=S)N(CCC(=O)[O-])C1=O CCOC(=O)COc1cc(Br)c(/C=N/O)cc1OCC ZINC000001019128 38/02/77/471380277 LSVAUJYCAJTDSE-VIZOYTHASA-N -1 346.177 EF 2.598 1 Mild mid EFEAMM CCOC(=O)COc1cc(Br)c(/C=N/[O-])cc1OCC CCOC(=O)COc1cc(Br)c(/C=N/O)cc1OCC ZINC000001019128 38/02/68/471380268 LSVAUJYCAJTDSE-VIZOYTHASA-N 0 346.177 EF 2.598 0 Mild ref EFEARN CCOC(=O)COc1cc(Br)c(/C=N/O)cc1OCC COc1cc(NS(=O)(=O)c2ccccc2)c(Cl)c(C(=O)O)c1 ZINC000001058448 38/03/53/471380353 YMKALKHYINCOAY-UHFFFAOYSA-N -2 341.772 EF 2.848 3 Anodyne high EFAAHL COc1cc([N-]S(=O)(=O)c2ccccc2)c(Cl)c(C(=O)[O-])c1 COc1cc(NS(=O)(=O)c2ccccc2)c(Cl)c(C(=O)O)c1 ZINC000001058448 38/03/45/471380345 YMKALKHYINCOAY-UHFFFAOYSA-N -1 341.772 EF 2.848 0 Anodyne ref EFAARM COc1cc(NS(=O)(=O)c2ccccc2)c(Cl)c(C(=O)[O-])c1 COc1cc2c(=O)n(-c3ccccc3)c(S)nc2c(OC)c1OC ZINC000001106067 24/99/96/286249996 PLLQTIFRFOMLOJ-UHFFFAOYSA-N 0 344.392 EF 2.7 0 Anodyne ref EFAARN COc1cc2c(=O)n(-c3ccccc3)c(=S)[nH]c2c(OC)c1OC CCOc1ccc(N2C(=O)CS[C@]23C(=O)Nc2ccccc23)cc1 ZINC000001198688 56/31/38/286563138 LQJSLCGBPXERQR-GOSISDBHSA-N 0 340.404 EF 2.97 0 Anodyne ref EFAARN CCOc1ccc(N2C(=O)CS[C@]23C(=O)Nc2ccccc23)cc1