C[N+]1(C)CCC[C@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1 ZINC000000000449 31/71/85/471317185 GKNPSSNBBWDAGH-IBGZPJMESA-N 1 340.443 EF 2.705 0 Bother ref EFBARO C[N+]1(C)CCC[C@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1 fda S=C(NCCc1ccccn1)Nc1ccc(Br)cn1 ZINC000000005722 54/90/12/208549012 HOCFDYZWQYGULA-UHFFFAOYSA-N 0 337.246 EF 2.768 0 Anodyne ref EFAARN S=C(NCCc1ccccn1)Nc1ccc(Br)cn1 in-man Cc1cccc(Nc2ccncc2S(=O)(=O)/N=C(\O)NC(C)C)c1 ZINC000000005823 31/73/51/471317351 NGBFQHCMQULJNZ-UHFFFAOYSA-N 0 348.428 EF 2.734 1 Mild mid EFEAMN Cc1cccc(Nc2cc[nH+]cc2S(=O)([O-])=NC(=O)NC(C)C)c1 fda Cc1cccc(Nc2ccncc2S(=O)(=O)/N=C(\O)NC(C)C)c1 ZINC000000005823 31/73/46/471317346 NGBFQHCMQULJNZ-UHFFFAOYSA-N -1 348.428 EF 2.734 1 Mild mid EFEAMM Cc1cccc(Nc2ccncc2S(=O)([O-])=NC(=O)NC(C)C)c1 fda Cc1cccc(Nc2ccncc2S(=O)(=O)/N=C(\O)NC(C)C)c1 ZINC000000005823 31/73/43/471317343 NGBFQHCMQULJNZ-UHFFFAOYSA-N -1 348.428 EF 2.734 1 Mild mid EFEAMM Cc1cccc(Nc2ccncc2S(=O)(=O)N=C([O-])NC(C)C)c1 fda Cc1cccc(Nc2ccncc2S(=O)(=O)/N=C(\O)NC(C)C)c1 ZINC000000005823 31/73/35/471317335 NGBFQHCMQULJNZ-UHFFFAOYSA-N -1 348.428 EF 2.734 0 Mild ref EFEARM Cc1cccc(Nc2ccncc2S(=O)(=O)[N-]C(=O)NC(C)C)c1 fda Nc1nc2c(cnn2CCc2ccccc2)c2nc(-c3ccco3)nn12 ZINC000000006170 31/69/53/471316953 UTLPKQYUXOEJIL-UHFFFAOYSA-N 0 345.366 EF 2.559 0 Anodyne ref EFAARN Nc1nc2c(cnn2CCc2ccccc2)c2nc(-c3ccco3)nn12 investigational COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O)c(OC)c3o2)cc1 ZINC000000898952 37/68/23/471376823 KRFBMPVGAYGGJE-UHFFFAOYSA-N 0 344.319 EF 2.897 2 Anodyne low EFAALN COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O)c(OC)c3o2)cc1 in-vitro biogenic COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O)c(OC)c3o2)cc1 ZINC000000898952 37/68/09/471376809 KRFBMPVGAYGGJE-UHFFFAOYSA-N -1 344.319 EF 2.897 0 Anodyne ref EFAARM COc1ccc(-c2cc(=O)c3c(O)c(OC)c([O-])c(OC)c3o2)cc1 in-vitro biogenic C[C@@]12CCC(=O)C=C1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@@]2(O)C(=O)CO ZINC000001235035 38/39/40/471383940 WHBHBVVOGNECLV-QWLXMNPYSA-N 0 346.467 EF 2.811 0 Anodyne ref EFAARN C[C@@]12CCC(=O)C=C1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@@]2(O)C(=O)CO investigational N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 ZINC000001530775 39/16/45/471391645 XDRYMKDFEDOLFX-UHFFFAOYSA-N 2 340.427 EF 2.883 0 Anodyne ref EFAARP NC(=[NH2+])c1ccc(OCCCCCOc2ccc(C(N)=[NH2+])cc2)cc1 fda biogenic CC[N+](C)(CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000001718373 39/62/53/471396253 HDAMOICMOAXFLJ-UHFFFAOYSA-N 1 342.459 EF 2.952 0 Bother ref EFBARO CC[N+](C)(CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1 in-man CCN(CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000001734034 39/65/18/471396518 IVQOFBKHQCTVQV-UHFFFAOYSA-N 0 327.424 EF 2.808 3 Anodyne high EFAAHN CCN(CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1 investigational CCN(CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000001734034 39/65/06/471396506 IVQOFBKHQCTVQV-UHFFFAOYSA-N 0 327.424 EF 2.808 0 Anodyne ref EFAARN CC[NH+](CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1 investigational CC(C)n1cnc2c(NCc3ccccc3)nc(NCCCO)nc21 ZINC000002002752 39/98/77/471399877 OPQGFIAVPSXOBO-UHFFFAOYSA-N 0 340.431 EF 2.814 0 Anodyne ref EFAARN CC(C)n1cnc2c(NCc3ccccc3)nc(NCCCO)nc21 in-vivo Nc1c(CC(=O)O)cccc1C(=O)c1ccc(Br)cc1 ZINC000002570817 41/10/83/471411083 ZBPLOVFIXSTCRZ-UHFFFAOYSA-N -1 334.169 EF 2.889 0 Anodyne ref EFAARM Nc1c(CC(=O)[O-])cccc1C(=O)c1ccc(Br)cc1 fda C[N+]1(C)CCC[C@@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1 ZINC000003813083 07/71/50/210077150 GKNPSSNBBWDAGH-LJQANCHMSA-N 1 340.443 EF 2.705 0 Bother ref EFBARO C[N+]1(C)CCC[C@@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1 fda C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO ZINC000003860956 17/74/20/280177420 WHBHBVVOGNECLV-OBQKJFGGSA-N 0 346.467 EF 2.811 0 Mild ref EFEARN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO in-man endogenous O=c1oc2ccccc2c(O)c1Cc1c(O)c2ccccc2oc1=O ZINC000003869855 81/97/24/304819724 DOBMPNYZJYQDGZ-UHFFFAOYSA-N -2 336.299 EF 2.901 0 Anodyne ref EFAARL O=c1oc2ccccc2c([O-])c1Cc1c([O-])c2ccccc2oc1=O world O=C(CCCCCN1C(=O)c2cccc3cccc(c23)C1=O)NO ZINC000003873638 08/21/76/210082176 JTDYUFSDZATMKU-UHFFFAOYSA-N -1 326.352 EF 2.502 3 Mild high EFEAHM O=C(CCCCCN1C(=O)c2cccc3cccc(c23)C1=O)N[O-] investigational O=C(CCCCCN1C(=O)c2cccc3cccc(c23)C1=O)NO ZINC000003873638 08/21/74/210082174 JTDYUFSDZATMKU-UHFFFAOYSA-N 0 326.352 EF 2.502 0 Mild ref EFEARN O=C(CCCCCN1C(=O)c2cccc3cccc(c23)C1=O)NO investigational Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1 ZINC000003963016 45/75/68/471457568 TUVCWJQQGGETHL-UHFFFAOYSA-N 0 348.362 EF 2.98 0 Anodyne ref EFAARN Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1 in-vitro COc1ccc2nc([S@](=O)Cc3ncc(C)c(OC)c3C)[nH]c2c1 ZINC000004693574 24/97/19/210249719 SUBDBMMJDZJVOS-DEOSSOPVSA-N 0 345.424 EF 2.9 1 Anodyne mid EFAAMN COc1ccc2nc([S@](=O)Cc3ncc(C)c(OC)c3C)[nH]c2c1 fda biogenic COc1ccc2nc([S@](=O)Cc3ncc(C)c(OC)c3C)[nH]c2c1 ZINC000004693574 24/97/15/210249715 SUBDBMMJDZJVOS-DEOSSOPVSA-N 0 345.424 EF 2.9 0 Anodyne ref EFAARN COc1ccc2[nH]c([S@](=O)Cc3ncc(C)c(OC)c3C)nc2c1 fda biogenic COc1ccc2nc([S@@](=O)Cc3ncc(C)c(OC)c3C)[nH]c2c1 ZINC000004693575 24/94/51/210249451 SUBDBMMJDZJVOS-XMMPIXPASA-N 0 345.424 EF 2.9 1 Anodyne mid EFAAMN COc1ccc2nc([S@@](=O)Cc3ncc(C)c(OC)c3C)[nH]c2c1 fda COc1ccc2nc([S@@](=O)Cc3ncc(C)c(OC)c3C)[nH]c2c1 ZINC000004693575 24/94/47/210249447 SUBDBMMJDZJVOS-XMMPIXPASA-N 0 345.424 EF 2.9 0 Anodyne ref EFAARN COc1ccc2[nH]c([S@@](=O)Cc3ncc(C)c(OC)c3C)nc2c1 fda C[C@@]12CCC(=O)C=C1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(O)C(=O)CO ZINC000005273724 49/79/08/471497908 WHBHBVVOGNECLV-GQENOEBFSA-N 0 346.467 EF 2.811 0 Anodyne ref EFAARN C[C@@]12CCC(=O)C=C1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(O)C(=O)CO investigational COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)cc1OC ZINC000006018691 52/96/12/471529612 DRRWBCNQOKKKOL-UHFFFAOYSA-N -2 344.319 EF 2.897 3 Anodyne high EFAAHL COc1ccc(-c2cc(=O)c3c([O-])c(OC)c([O-])cc3o2)cc1OC in-man endogenous COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)cc1OC ZINC000006018691 52/96/08/471529608 DRRWBCNQOKKKOL-UHFFFAOYSA-N 0 344.319 EF 2.897 1 Anodyne mid EFAAMN COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)cc1OC in-man endogenous COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)cc1OC ZINC000006018691 52/96/05/471529605 DRRWBCNQOKKKOL-UHFFFAOYSA-N -1 344.319 EF 2.897 0 Anodyne ref EFAARM COc1ccc(-c2cc(=O)c3c(O)c(OC)c([O-])cc3o2)cc1OC in-man endogenous C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2[C@@H](O)C[C@@]2(C)[C@H](C(=O)CO)CC[C@H]12 ZINC000008580676 69/60/03/471696003 OMFXVFTZEKFJBZ-QWVKJRFASA-N 0 346.467 EF 2.667 0 Anodyne ref EFAARN C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2[C@@H](O)C[C@@]2(C)[C@H](C(=O)CO)CC[C@H]12 O=C1NC(=S)S/C1=C\c1ccc(I)cc1 ZINC000013382070 28/12/79/280281279 LIRUBCDZKKWCPS-YVMONPNESA-N -1 347.202 EF 2.78 1 Clean mid EFCBMM O=C1[N-]C(=S)S/C1=C\c1ccc(I)cc1 O=C1NC(=S)S/C1=C\c1ccc(I)cc1 ZINC000013382070 28/12/70/280281270 LIRUBCDZKKWCPS-YVMONPNESA-N 0 347.202 EF 2.78 0 Clean ref EFCBRN O=C1NC(=S)S/C1=C\c1ccc(I)cc1 C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO ZINC000013513592 87/55/35/300875535 OMFXVFTZEKFJBZ-HJTSIMOOSA-N 0 346.467 EF 2.667 0 Mild ref EFEARN C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO investigational endogenous Cc1c(-c2ccc3c(c2)CN(C2CC2)C3=O)nnn1-c1cccnc1F ZINC000013983188 84/63/75/471846375 XZBFQWRAIYRPPZ-UHFFFAOYSA-N 0 349.369 EF 2.895 0 Anodyne ref EFAARN Cc1c(-c2ccc3c(c2)CN(C2CC2)C3=O)nnn1-c1cccnc1F in-vitro COc1cc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)ccc1O ZINC000014779854 87/82/88/471878288 GLAAQZFBFGEBPS-UHFFFAOYSA-N -2 330.292 EF 2.594 3 Anodyne high EFAAHL COc1cc(-c2cc(=O)c3c([O-])c(OC)c([O-])cc3o2)ccc1O in-vitro biogenic COc1cc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)ccc1O ZINC000014779854 87/82/82/471878282 GLAAQZFBFGEBPS-UHFFFAOYSA-N 0 330.292 EF 2.594 1 Anodyne mid EFAAMN COc1cc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)ccc1O in-vitro biogenic COc1cc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)ccc1O ZINC000014779854 87/82/78/471878278 GLAAQZFBFGEBPS-UHFFFAOYSA-N -1 330.292 EF 2.594 0 Anodyne ref EFAARM COc1cc(-c2cc(=O)c3c(O)c(OC)c([O-])cc3o2)ccc1O in-vitro biogenic Nc1[nH]nc2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12 ZINC000028565323 22/93/69/472229369 XVECMUKVOMUNLE-UHFFFAOYSA-N 0 327.351 EF 2.917 0 Anodyne ref EFAARN Nc1nnc2[n-][nH+]c(-c3c(-c4ccccc4)nn4ccccc34)cc1-2 in-vivo Nc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1 ZINC000028707091 74/14/39/135741439 RQPKSOWRJPRYCN-UHFFFAOYSA-N 0 347.378 EF 2.857 0 Anodyne ref EFABRN Nc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1 COc1ccc2c(c1)N[C@H]([S@](=O)Cc1ncc(C)c(OC)c1C)N2 ZINC000031601210 20/66/65/202206665 KTTRNVVCHLQVQW-OSPHWJPCSA-N 0 347.44 EF 2.786 0 Anodyne ref EFAARN COc1ccc2c(c1)N[C@H]([S@](=O)Cc1ncc(C)c(OC)c1C)N2 in-vitro COc1ccc2c(c1)N[C@@H]([S@](=O)Cc1ncc(C)c(OC)c1C)N2 ZINC000031601212 20/73/28/202207328 KTTRNVVCHLQVQW-XDHUDOTRSA-N 0 347.44 EF 2.786 0 Anodyne ref EFAARN COc1ccc2c(c1)N[C@@H]([S@](=O)Cc1ncc(C)c(OC)c1C)N2 in-vitro OCCn1cc(-c2ccc3c(c2)CC/C3=N/O)c(-c2ccncc2)n1 ZINC000034640412 27/34/63/202273463 DEZZLWQELQORIU-PYCFMQQDSA-N -1 334.379 EF 2.729 3 Mild high EFEBHM [O-]/N=C1/CCc2cc(-c3cn(CCO)nc3-c3ccncc3)ccc21 OCCn1cc(-c2ccc3c(c2)CC/C3=N/O)c(-c2ccncc2)n1 ZINC000034640412 27/34/59/202273459 DEZZLWQELQORIU-PYCFMQQDSA-N 0 334.379 EF 2.729 0 Mild ref EFEBRN OCCn1cc(-c2ccc3c(c2)CC/C3=N/O)c(-c2ccncc2)n1 CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1 ZINC000034842823 99/14/12/471991412 BFDBKMOZYNOTPK-UHFFFAOYSA-N 1 345.399 EF 2.646 0 Anodyne ref EFAARO C[NH2+]Cc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1 investigational N#Cc1ccc2[nH]c(O)c(-c3ccc(CN4CCOCC4)cn3)c2c1 ZINC000038698888 02/08/13/472020813 BLTVBQXJFVRPFK-UHFFFAOYSA-N 1 334.379 EF 2.639 2 Mild low EFEALO N#Cc1ccc2c(c1)C(c1ccc(C[NH+]3CCOCC3)cn1)C(=O)N2 N#Cc1ccc2[nH]c(O)c(-c3ccc(CN4CCOCC4)cn3)c2c1 ZINC000038698888 02/08/06/472020806 BLTVBQXJFVRPFK-UHFFFAOYSA-N 0 334.379 EF 2.639 0 Mild ref EFEARN N#Cc1ccc2c(c1)C(c1ccc(CN3CCOCC3)cn1)C(=O)N2 O=C(c1ccc(/C=C/c2n[nH]c3ccccc23)cc1)N1CCNCC1 ZINC000043201999 20/95/49/472209549 YYLKKYCXAOBSRM-JXMROGBWSA-N 0 332.407 EF 2.779 1 Anodyne mid EFAAMN O=C(c1ccc(C=Cc2n[nH]c3ccccc23)cc1)N1CCNCC1 in-man O=C(c1ccc(/C=C/c2n[nH]c3ccccc23)cc1)N1CCNCC1 ZINC000043201999 20/95/40/472209540 YYLKKYCXAOBSRM-JXMROGBWSA-N 1 332.407 EF 2.779 0 Anodyne ref EFAARO O=C(c1ccc(C=Cc2n[nH]c3ccccc23)cc1)N1CC[NH2+]CC1 in-man O=C(c1cncc(Br)c1)N1CCC(N2CCCC2)CC1 ZINC000048551259 94/55/85/213945585 CQERVFFAOOUFEQ-UHFFFAOYSA-N 1 338.249 EF 2.545 0 Anodyne ref EFAARO O=C(c1cncc(Br)c1)N1CCC([NH+]2CCCC2)CC1 in-vitro CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1 ZINC000051951670 07/32/14/473073214 GOVYBPLHWIEHEJ-UHFFFAOYSA-N 1 335.407 EF 2.797 1 Mild mid EFEAMO C[N@H+]1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1 in-vitro CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1 ZINC000051951670 07/32/06/473073206 GOVYBPLHWIEHEJ-UHFFFAOYSA-N 1 335.407 EF 2.797 1 Mild mid EFEAMO C[N@@H+]1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1 in-vitro CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1 ZINC000051951670 07/31/91/473073191 GOVYBPLHWIEHEJ-UHFFFAOYSA-N 0 335.407 EF 2.797 0 Mild ref EFEARN CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1 in-vitro O=C(O)c1cnn(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1 ZINC000068199903 14/81/23/472148123 FXHHASJVTYRJHH-UHFFFAOYSA-N -1 346.652 EF 2.999 1 Anodyne mid EFAAMM O=C([O-])c1cnn(-c2nc3cc(Cl)c(OC(F)(F)F)cc3[nH]2)c1 in-vivo O=C(O)c1cnn(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1 ZINC000068199903 14/81/16/472148116 FXHHASJVTYRJHH-UHFFFAOYSA-N -1 346.652 EF 2.999 0 Anodyne ref EFAARM O=C([O-])c1cnn(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1 in-vivo C(#Cc1nc2ncccc2nc1OCCN1CCCC1)c1ccccc1 ZINC000072180432 06/65/88/216066588 MNYJJHBAEYKXEG-UHFFFAOYSA-N 0 344.418 EF 2.899 3 Mild high EFEAHN C(#Cc1nc2ncccc2nc1OCCN1CCCC1)c1ccccc1 C(#Cc1nc2ncccc2nc1OCCN1CCCC1)c1ccccc1 ZINC000072180432 06/65/85/216066585 MNYJJHBAEYKXEG-UHFFFAOYSA-N 1 344.418 EF 2.899 0 Mild ref EFEARO C(#Cc1nc2ncccc2nc1OCC[NH+]1CCCC1)c1ccccc1 Cn1c(=O)cc(C(=O)Nc2ccc3c(c2)OCCO3)c2ccccc21 ZINC000074715142 05/18/03/473051803 NXKBPGZQDHACPZ-UHFFFAOYSA-N 0 336.347 EF 2.562 0 Anodyne ref EFAARN Cn1c(=O)cc(C(=O)Nc2ccc3c(c2)OCCO3)c2ccccc21 in-vitro COc1cc2c(cc1OCCCN1CCCC1)N=C(N)C21CCC1 ZINC000095921314 22/46/53/473224653 BKCDJTRMYWSXMC-UHFFFAOYSA-N 1 329.444 EF 2.984 3 Anodyne high EFAAHO COc1cc2c(cc1OCCC[NH+]1CCCC1)NC(=N)C21CCC1 in-vitro COc1cc2c(cc1OCCCN1CCCC1)N=C(N)C21CCC1 ZINC000095921314 22/46/45/473224645 BKCDJTRMYWSXMC-UHFFFAOYSA-N 2 329.444 EF 2.984 0 Anodyne ref EFAARP COc1cc2c(cc1OCCC[NH+]1CCCC1)NC(=[NH2+])C21CCC1 in-vitro O=C1CCCC(=O)C1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000100014475 52/43/33/472524333 OUBCNLGXQFSTLU-UHFFFAOYSA-N -1 329.23 EF 2.735 0 Bother ref EFBARM O=C1CCCC(=O)C1=C([O-])c1ccc(C(F)(F)F)cc1[N+](=O)[O-] fda OCCn1cc(-c2ccc3c(c2)CC/C3=N\O)c(-c2ccncc2)n1 ZINC000100015335 08/83/34/219088334 DEZZLWQELQORIU-RELWKKBWSA-N -1 334.379 EF 2.729 3 Mild high EFEAHM [O-]/N=C1\CCc2cc(-c3cn(CCO)nc3-c3ccncc3)ccc21 in-vivo OCCn1cc(-c2ccc3c(c2)CC/C3=N\O)c(-c2ccncc2)n1 ZINC000100015335 08/83/30/219088330 DEZZLWQELQORIU-RELWKKBWSA-N 0 334.379 EF 2.729 0 Mild ref EFEARN OCCn1cc(-c2ccc3c(c2)CC/C3=N\O)c(-c2ccncc2)n1 in-vivo COc1cccc(-n2c(SCC(=O)O)nnc2-c2ccccn2)c1 ZINC000145616649 70/06/03/544700603 GBVQSAZHPCDBDY-UHFFFAOYSA-N -1 342.38 EF 2.515 0 Anodyne ref EFAARM COc1cccc(-n2c(SCC(=O)[O-])nnc2-c2ccccn2)c1 C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2C(=O)CO ZINC000245190540 57/10/70/474571070 OMFXVFTZEKFJBZ-DGONOLKGSA-N 0 346.467 EF 2.667 0 Mild ref EFEARN C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2C(=O)CO C[C@]12C[C@@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2C(=O)CO ZINC000245190541 87/53/35/300875335 OMFXVFTZEKFJBZ-DYYHUOPESA-N 0 346.467 EF 2.667 0 Mild ref EFEARN C[C@]12C[C@@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2C(=O)CO C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]2(O)C(=O)CO ZINC000245380320 57/48/95/474574895 WHBHBVVOGNECLV-ISDIOFJSSA-N 0 346.467 EF 2.811 0 Mild ref EFEBRN C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]2(O)C(=O)CO investigational CC(C)[N@+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)[C@@H](CO)c1ccccc1)C2 ZINC000250576018 31/11/29/535311129 OEXHQOGQTVQTAT-FIRLOTFOSA-N 1 332.464 EF 2.854 0 Bother ref EFBARO CC(C)[N@+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)[C@@H](CO)c1ccccc1)C2 in-vitro CC(C)[N@+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)[C@H](CO)c1ccccc1)C2 ZINC000250576027 63/32/64/474633264 OEXHQOGQTVQTAT-HZVKZAKPSA-N 1 332.464 EF 2.854 0 Bother ref EFBARO CC(C)[N@+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)[C@H](CO)c1ccccc1)C2 in-vitro CC(C)[N@+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2 ZINC000253476025 76/16/08/474761608 OEXHQOGQTVQTAT-CWVBCOCOSA-N 1 332.464 EF 2.854 0 Bother ref EFBARO CC(C)[N@+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2 fda CC(C)[N@@+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@@H](CO)c1ccccc1)C2 ZINC000253476026 31/12/41/535311241 OEXHQOGQTVQTAT-KKKDIUQISA-N 1 332.464 EF 2.854 0 Bother ref EFBARO CC(C)[N@@+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@@H](CO)c1ccccc1)C2 in-man CC(C)[N@+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@@H](CO)c1ccccc1)C2 ZINC000253476027 76/17/21/474761721 OEXHQOGQTVQTAT-KWLWEVDOSA-N 1 332.464 EF 2.854 0 Bother ref EFBARO CC(C)[N@+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@@H](CO)c1ccccc1)C2 fda CC(C)[N@@+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2 ZINC000253476028 76/19/61/474761961 OEXHQOGQTVQTAT-WVXKDWSHSA-N 1 332.464 EF 2.854 0 Bother ref EFBARO CC(C)[N@@+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2 in-man C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2[C@H](O)C[C@@]2(C)[C@H](C(=O)CO)CC[C@H]12 ZINC000253537545 76/29/46/474762946 OMFXVFTZEKFJBZ-DNWZOHJTSA-N 0 346.467 EF 2.667 0 Mild ref EFEARN C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2[C@H](O)C[C@@]2(C)[C@H](C(=O)CO)CC[C@H]12 C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(O)C(=O)CO ZINC000253616884 77/20/69/474772069 WHBHBVVOGNECLV-VLWQACTDSA-N 0 346.467 EF 2.811 0 Mild ref EFEBRN C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(O)C(=O)CO investigational