C[N+]1(C)CC[C@H](OC(=O)[C@](O)(c2ccccc2)C2CCCC2)C1 ZINC000000000346 68/73/65/401687365 ANGKOCUUWGHLCE-HKUYNNGSSA-N 1 318.437 DE 2.456 0 Bother ref DEBARO C[N+]1(C)CC[C@H](OC(=O)[C@](O)(c2ccccc2)C2CCCC2)C1 fda C[C@H](Cc1ccc(O)cc1)NC[C@@H](O)c1cc(O)cc(O)c1 ZINC000000020252 68/74/04/401687404 LSLYOANBFKQKPT-PIGZYNQJSA-N 1 303.358 DE 2.058 0 Anodyne ref DEAARO C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@@H](O)c1cc(O)cc(O)c1 world COC(=O)/N=c1\[nH]c2ccc(C(=O)c3cccs3)cc2[nH]1 ZINC000000056509 68/76/45/401687645 KYRVNWMVYQXFEU-UHFFFAOYSA-N 0 301.327 DE 2.456 0 Anodyne ref DEAARN COC(=O)Nc1nc2cc(C(=O)c3cccs3)ccc2[nH]1 in-man C[C@@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 ZINC000000057319 68/75/88/401687588 LSLYOANBFKQKPT-GTNSWQLSSA-N 1 303.358 DE 2.058 0 Anodyne ref DEAARO C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@H](O)c1cc(O)cc(O)c1 world C[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 ZINC000000057320 68/00/40/180680040 LSLYOANBFKQKPT-DIFFPNOSSA-N 1 303.358 DE 2.058 0 Anodyne ref DEAARO C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@H](O)c1cc(O)cc(O)c1 world C[C@@H](Cc1ccc(O)cc1)NC[C@@H](O)c1cc(O)cc(O)c1 ZINC000000057321 68/76/06/401687606 LSLYOANBFKQKPT-APPDUMDISA-N 1 303.358 DE 2.058 0 Anodyne ref DEAARO C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@@H](O)c1cc(O)cc(O)c1 world Nc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1 ZINC000000057490 68/75/85/401687585 QWCJHSGMANYXCW-UHFFFAOYSA-N 0 314.37 DE 2.255 1 Anodyne mid DEAAMN Nc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1 world Nc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1 ZINC000000057490 68/75/84/401687584 QWCJHSGMANYXCW-UHFFFAOYSA-N -1 314.37 DE 2.255 0 Anodyne ref DEAARM Nc1ccc(S(=O)(=O)[N-]c2ccnn2-c2ccccc2)cc1 world COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)[C@@H]1C=CO[C@H]1O2 ZINC000000402670 39/07/94/277390794 OQIQSTLJSLGHID-QPFGOUBPSA-N 0 312.277 DE 2.276 0 Anodyne ref DEAARN COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)[C@@H]1C=CO[C@H]1O2 in-man endogenous COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)[C@@H]1C=CO[C@@H]1O2 ZINC000000402671 25/20/70/286252070 OQIQSTLJSLGHID-WNWIJWBNSA-N 0 312.277 DE 2.276 0 Anodyne ref DEAARN COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)[C@@H]1C=CO[C@@H]1O2 in-man endogenous COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)[C@H]1C=CO[C@H]1O2 ZINC000000402672 25/21/89/286252189 OQIQSTLJSLGHID-RBHXEPJQSA-N 0 312.277 DE 2.276 0 Anodyne ref DEAARN COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)[C@H]1C=CO[C@H]1O2 in-man endogenous COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)[C@H]1C=CO[C@@H]1O2 ZINC000000402673 69/66/43/401696643 OQIQSTLJSLGHID-CQLKUDPESA-N 0 312.277 DE 2.276 0 Anodyne ref DEAARN COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)[C@H]1C=CO[C@@H]1O2 in-man endogenous COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)[C@H]1CCO[C@H]1O2 ZINC000000402721 25/21/99/286252199 WWSYXEZEXMQWHT-RBHXEPJQSA-N 0 314.293 DE 2.153 0 Anodyne ref DEAARN COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)[C@H]1CCO[C@H]1O2 in-man endogenous O=S(=O)(c1cccc2c(Cl)cccc12)N1CCCNCC1 ZINC000000402771 69/66/15/401696615 OZSMSRIUUDGTEP-UHFFFAOYSA-N 0 324.833 DE 2.477 3 Anodyne high DEAAHN O=S(=O)(c1cccc2c(Cl)cccc12)N1CCCNCC1 in-vitro O=S(=O)(c1cccc2c(Cl)cccc12)N1CCCNCC1 ZINC000000402771 69/66/14/401696614 OZSMSRIUUDGTEP-UHFFFAOYSA-N 1 324.833 DE 2.477 0 Anodyne ref DEAARO O=S(=O)(c1cccc2c(Cl)cccc12)N1CCC[NH2+]CC1 in-vitro COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O ZINC000000517261 70/00/33/401700033 IZQSVPBOUDKVDZ-UHFFFAOYSA-N -2 316.265 DE 2.291 3 Anodyne high DEAAHL COc1cc(-c2oc3cc([O-])cc([O-])c3c(=O)c2O)ccc1O in-man metabolite COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O ZINC000000517261 70/00/30/401700030 IZQSVPBOUDKVDZ-UHFFFAOYSA-N 0 316.265 DE 2.291 2 Anodyne low DEAALN COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O in-man metabolite COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O ZINC000000517261 70/00/27/401700027 IZQSVPBOUDKVDZ-UHFFFAOYSA-N -1 316.265 DE 2.291 0 Anodyne ref DEAARM COc1cc(-c2oc3cc([O-])cc(O)c3c(=O)c2O)ccc1O in-man metabolite C[N+]1(C)CC[C@H](OC(=O)[C@@](O)(c2ccccc2)C2CCCC2)C1 ZINC000000896958 70/36/38/401703638 ANGKOCUUWGHLCE-PKOBYXMFSA-N 1 318.437 DE 2.456 0 Bother ref DEBARO C[N+]1(C)CC[C@H](OC(=O)[C@@](O)(c2ccccc2)C2CCCC2)C1 fda C[N+]1(C)CC[C@@H](OC(=O)[C@](O)(c2ccccc2)C2CCCC2)C1 ZINC000000896968 17/76/71/280177671 ANGKOCUUWGHLCE-MJGOQNOKSA-N 1 318.437 DE 2.456 0 Bother ref DEBARO C[N+]1(C)CC[C@@H](OC(=O)[C@](O)(c2ccccc2)C2CCCC2)C1 fda COc1cc(/C=C/C(=O)N2CCC=CC2=O)cc(OC)c1OC ZINC000000899053 70/36/89/401703689 VABYUUZNAVQNPG-BQYQJAHWSA-N 0 317.341 DE 2.041 0 Anodyne ref DEAARN COc1cc(/C=C/C(=O)N2CCC=CC2=O)cc(OC)c1OC in-man endogenous C[N+]1(C)CC[C@@H](OC(=O)[C@@](O)(c2ccccc2)C2CCCC2)C1 ZINC000000968301 70/32/97/401703297 ANGKOCUUWGHLCE-IEBWSBKVSA-N 1 318.437 DE 2.456 0 Bother ref DEBARO C[N+]1(C)CC[C@@H](OC(=O)[C@@](O)(c2ccccc2)C2CCCC2)C1 fda CC(C)NC[C@H](O)COc1ccc(CCOCC2CC2)cc1 ZINC000001530567 70/83/75/401708375 NWIUTZDMDHAVTP-KRWDZBQOSA-N 1 307.434 DE 2.393 0 Anodyne ref DEAARO CC(C)[NH2+]C[C@H](O)COc1ccc(CCOCC2CC2)cc1 fda CC(C)NC[C@@H](O)COc1ccc(CCOCC2CC2)cc1 ZINC000001530568 87/11/90/180871190 NWIUTZDMDHAVTP-QGZVFWFLSA-N 1 307.434 DE 2.393 0 Anodyne ref DEAARO CC(C)[NH2+]C[C@@H](O)COc1ccc(CCOCC2CC2)cc1 fda NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1 ZINC000001752601 89/44/49/180894449 YJQZNWPYLCNRLP-UHFFFAOYSA-N 0 309.322 DE 2.117 0 Anodyne ref DEAARN NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1 in-vitro COc1cc(C[C@@H](C)N)c(OC)cc1I ZINC000002516053 71/46/81/401714681 BGMZUEKZENQUJY-SSDOTTSWSA-N 1 321.158 DE 2.198 0 Anodyne ref DEAARO COc1cc(C[C@@H](C)[NH3+])c(OC)cc1I in-vivo COc1cc(C[C@H](C)N)c(OC)cc1I ZINC000002530693 71/48/30/401714830 BGMZUEKZENQUJY-ZETCQYMHSA-N 1 321.158 DE 2.198 0 Anodyne ref DEAARO COc1cc(C[C@H](C)[NH3+])c(OC)cc1I in-vivo Cc1cc(C(=O)CN2C(=O)CCC2=O)c(C)n1Cc1ccccc1 ZINC000002650319 94/42/40/180944240 JRESCQKIRPOOEM-UHFFFAOYSA-N 0 324.38 DE 2.485 0 Anodyne ref DEAARN Cc1cc(C(=O)CN2C(=O)CCC2=O)c(C)n1Cc1ccccc1 in-vitro COc1ccc(S(=O)(=O)ON=C2C=C(C)C(=O)C(C)=C2)cc1 ZINC000002868042 96/51/52/180965152 VEWFTYOFWIXCIO-UHFFFAOYSA-N 0 321.354 DE 2.232 0 Mild ref DEEARN COc1ccc(S(=O)(=O)ON=C2C=C(C)C(=O)C(C)=C2)cc1 in-vitro N#CCC(=O)NNC(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000003161854 18/85/85/560188585 XKQJVBSDCOCZFV-UHFFFAOYSA-N 0 303.174 DE 2.225 0 Reactive ref DEGARN N#CCC(=O)NNC(=S)Nc1ccc(Cl)c(Cl)c1 in-vitro COc1ccc(CNC(=O)Nc2ncc([N+](=O)[O-])s2)cc1 ZINC000003818778 04/70/75/181047075 YAEMHJKFIIIULI-UHFFFAOYSA-N 0 308.319 DE 2.382 0 Bother ref DEBARN COc1ccc(CNC(=O)Nc2ncc([N+](=O)[O-])s2)cc1 in-vivo CCCc1c(OCCCCc2nn[nH]n2)ccc(C(C)=O)c1O ZINC000003873163 05/10/28/181051028 MWYHLEQJTQJHSS-UHFFFAOYSA-N -1 318.377 DE 2.462 3 Anodyne high DEAAHM CCCc1c(OCCCCc2nn[n-]n2)ccc(C(C)=O)c1O investigational CCCc1c(OCCCCc2nn[nH]n2)ccc(C(C)=O)c1O ZINC000003873163 05/10/27/181051027 MWYHLEQJTQJHSS-UHFFFAOYSA-N -1 318.377 DE 2.462 3 Anodyne high DEAAHM CCCc1c(OCCCCc2nnn[n-]2)ccc(C(C)=O)c1O investigational CCCc1c(OCCCCc2nn[nH]n2)ccc(C(C)=O)c1O ZINC000003873163 05/10/23/181051023 MWYHLEQJTQJHSS-UHFFFAOYSA-N 0 318.377 DE 2.462 0 Anodyne ref DEAARN CCCc1c(OCCCCc2nn[nH]n2)ccc(C(C)=O)c1O investigational COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1 ZINC000003875620 05/15/36/181051536 JGUZGNYPMHHYRK-UHFFFAOYSA-N 0 316.265 DE 2.291 2 Clean low DECALN COc1cc2oc(-c3ccc(O)c(O)c3)c(O)c(O)c-2c(=O)c1 aggregator in-vitro biogenic COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1 ZINC000003875620 05/15/33/181051533 JGUZGNYPMHHYRK-UHFFFAOYSA-N 0 316.265 DE 2.291 2 Clean low DECALN COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1 aggregator in-vitro biogenic COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1 ZINC000003875620 05/15/30/181051530 JGUZGNYPMHHYRK-UHFFFAOYSA-N -1 316.265 DE 2.291 1 Clean mid DECAMM COc1cc([O-])c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1 aggregator in-vitro biogenic COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1 ZINC000003875620 05/15/28/181051528 JGUZGNYPMHHYRK-UHFFFAOYSA-N 0 316.265 DE 2.291 0 Clean ref DECARN COc1cc2oc(-c3ccc(O)c(O)c3)c(O)c([O-])c-2c(=O)c1 aggregator in-vitro biogenic CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1 ZINC000003956788 05/95/36/181059536 YQNQNVDNTFHQSW-UHFFFAOYSA-N 0 307.287 DE 2.229 0 Bother ref DEBARN CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1 fda CCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCC(=O)O ZINC000005820101 28/69/18/181286918 UIZLUZTVNFGFMX-TUVASFSCSA-N -1 300.395 DE 2.139 0 Anodyne ref DEABRM CCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCC(=O)[O-] in-vitro COc1cc2c(c3oc(=O)c4c(c13)CC[C@@H]4O)[C@@H]1C=CO[C@@H]1O2 ZINC000006017751 73/05/99/401730599 WYIWLDSPNDMZIT-IRWWLHRVSA-N 0 314.293 DE 2.127 0 Anodyne ref DEAARN COc1cc2c(c3oc(=O)c4c(c13)CC[C@@H]4O)[C@@H]1C=CO[C@@H]1O2 in-vitro Cn1cc(C2=C(c3cccc(N)c3)C(=O)NC2=O)c2ccccc21 ZINC000013447860 79/98/42/401799842 RGTAEYDIDMGJLX-UHFFFAOYSA-N 0 317.348 DE 2.328 0 Anodyne ref DEAARN Cn1cc(C2=C(c3cccc(N)c3)C(=O)NC2=O)c2ccccc21 in-vitro CN(C)C(=O)n1nnnc1Cc1ccc(-c2ccccc2)cc1 ZINC000013813297 80/43/36/401804336 GZNIYOXWFCDBBJ-UHFFFAOYSA-N 0 307.357 DE 2.461 0 Anodyne ref DEAARN CN(C)C(=O)n1nnnc1Cc1ccc(-c2ccccc2)cc1 in-vivo COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc32)c1C ZINC000014974583 81/43/41/401814341 QULDDKSCVCJTPV-UHFFFAOYSA-N 1 318.768 DE 2.131 1 Anodyne mid DEAAMO COc1c(C)c[nH+]c(Cn2cnc3c(Cl)nc(N)nc32)c1C investigational COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc32)c1C ZINC000014974583 81/43/38/401814338 QULDDKSCVCJTPV-UHFFFAOYSA-N 0 318.768 DE 2.131 0 Anodyne ref DEAARN COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc32)c1C investigational O=C1c2ccc([N+](=O)[O-])cc2N=C2N(c3ccccc3)CC[C@]12O ZINC000022056924 30/71/72/182307172 VIMYHNYWFMRDKQ-KRWDZBQOSA-N 0 323.308 DE 2.462 0 Bother ref DEBARN O=C1c2ccc([N+](=O)[O-])cc2N=C2N(c3ccccc3)CC[C@]12O in-vitro O=C(NCCCCN1CCOCC1)c1cc2ccccc2o1 ZINC000027090735 84/40/17/401844017 KUJQEQAVMNFFAO-UHFFFAOYSA-N 0 302.374 DE 2.275 1 Anodyne mid DEAAMN O=C(NCCCCN1CCOCC1)c1cc2ccccc2o1 in-vitro O=C(NCCCCN1CCOCC1)c1cc2ccccc2o1 ZINC000027090735 84/40/12/401844012 KUJQEQAVMNFFAO-UHFFFAOYSA-N 1 302.374 DE 2.275 0 Anodyne ref DEAARO O=C(NCCCC[NH+]1CCOCC1)c1cc2ccccc2o1 in-vitro CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O ZINC000028572103 85/22/27/401852227 BXNMTOQRYBFHNZ-UHFFFAOYSA-N 0 314.389 DE 2.474 0 Anodyne ref DEAARN CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O investigational CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N1CCCC1 ZINC000029134970 55/34/45/182553445 DAZSWUUAFHBCGE-KRWDZBQOSA-N 0 302.418 DE 2.382 0 Anodyne ref DEAARN CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N1CCCC1 in-vitro O=S(=O)(O)Oc1cc(O)cc(/C=C/c2ccc(O)cc2)c1 ZINC000035653092 90/02/62/401900262 DULQFFCIVGYOFH-OWOJBTEDSA-N -2 308.311 DE 2.45 3 Anodyne high DEAAHL O=S(=O)([O-])Oc1cc([O-])cc(/C=C/c2ccc(O)cc2)c1 in-man endogenous O=S(=O)(O)Oc1cc(O)cc(/C=C/c2ccc(O)cc2)c1 ZINC000035653092 90/02/59/401900259 DULQFFCIVGYOFH-OWOJBTEDSA-N -1 308.311 DE 2.45 0 Anodyne ref DEAARM O=S(=O)([O-])Oc1cc(O)cc(/C=C/c2ccc(O)cc2)c1 in-man endogenous O=C1c2ccc([N+](=O)[O-])cc2N=C2N(c3ccccc3)CC[C@@]12O ZINC000036377251 01/66/72/285016672 VIMYHNYWFMRDKQ-QGZVFWFLSA-N 0 323.308 DE 2.462 0 Bother ref DEBARN O=C1c2ccc([N+](=O)[O-])cc2N=C2N(c3ccccc3)CC[C@@]12O in-vitro O=C1C[C@H]2[C@H](C[C@@H](O)[C@@H]2CC[C@@H](O)CCc2ccccc2)O1 ZINC000038440322 67/57/27/331675727 CQVHXVLSHMRWEC-UTSKFRMZSA-N 0 304.386 DE 2.073 0 Anodyne ref DEAARN O=C1C[C@H]2[C@H](C[C@@H](O)[C@@H]2CC[C@@H](O)CCc2ccccc2)O1 Cc1cc(Cn2nnc3c(-c4ccco4)nc(N)nc32)ccc1N ZINC000040863182 14/46/34/183144634 HQSBCDPYXDGTCL-UHFFFAOYSA-N 0 321.344 DE 2.002 0 Anodyne ref DEAARN Cc1cc(Cn2nnc3c(-c4ccco4)nc(N)nc32)ccc1N investigational CCNCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O ZINC000040897136 14/73/37/183147337 FHJATBIERQTCTN-UHFFFAOYSA-N 0 313.405 DE 2.047 3 Anodyne high DEAAHN CCNCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O in-vitro CCNCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O ZINC000040897136 14/73/33/183147333 FHJATBIERQTCTN-UHFFFAOYSA-N 1 313.405 DE 2.047 0 Anodyne ref DEAARO CC[NH2+]Cc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O in-vitro CN(C)C(=O)n1nnc(Cc2ccc(-c3ccccc3)cc2)n1 ZINC000040938836 14/98/65/183149865 VBVLSXPOMAONNK-UHFFFAOYSA-N 0 307.357 DE 2.461 0 Anodyne ref DEABRN CN(C)C(=O)n1nnc(Cc2ccc(-c3ccccc3)cc2)n1 in-vitro CCCCCC(=O)CC[C@H]1[C@H](O)C[C@@H](O)[C@@H]1CCC(=O)O ZINC000043898832 38/89/33/183388933 UIZLUZTVNFGFMX-KBUPBQIOSA-N -1 300.395 DE 2.139 0 Anodyne ref DEABRM CCCCCC(=O)CC[C@H]1[C@H](O)C[C@@H](O)[C@@H]1CCC(=O)[O-] in-vitro C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O ZINC000053084692 05/08/36/402050836 NEMGRZFTLSKBAP-LBPRGKRZSA-N 0 302.349 DE 2.368 1 Anodyne mid DEAAMN C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O fda C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O ZINC000053084692 05/08/31/402050831 NEMGRZFTLSKBAP-LBPRGKRZSA-N 1 302.349 DE 2.368 0 Anodyne ref DEAARO C[C@H]([NH2+]Cc1ccc(OCc2cccc(F)c2)cc1)C(N)=O fda O=c1[nH][nH]c2nc(CN3Cc4ccccc4C3)nc3cccc1c32 ZINC000059277233 60/57/07/354605707 JLFSBHQQXIAQEC-UHFFFAOYSA-N 0 317.352 DE 2.315 0 Anodyne ref DEAARN O=c1[nH]nc2[nH]c(CN3Cc4ccccc4C3)nc3cccc1c32 in-vitro COc1ccc(OC)c2c1C(=O)C=C(SCCC(=O)O)C2=O ZINC000071789379 27/72/56/402277256 DIIRLGMLDOPLPV-UHFFFAOYSA-N -1 322.338 DE 2.175 0 Mild ref DEEARM COc1ccc(OC)c2c1C(=O)C=C(SCCC(=O)[O-])C2=O in-vitro O=C(O)CCCCC(=O)CC[C@H]1C(=O)C=C[C@@H]1CCC(=O)O ZINC000071789389 27/75/82/402277582 KPFBKANRLYZJQP-DGCLKSJQSA-N -2 310.346 DE 2.217 0 Mild ref DEEBRL O=C([O-])CCCCC(=O)CC[C@H]1C(=O)C=C[C@@H]1CCC(=O)[O-] in-vitro O=C(O)CCCCC(=O)CC[C@H]1C=CC(=O)[C@@H]1CCC(=O)O ZINC000071789391 27/75/74/402277574 HYPIFMOQVFWSBF-WCQYABFASA-N -2 310.346 DE 2.217 0 Mild ref DEEBRL O=C([O-])CCCCC(=O)CC[C@H]1C=CC(=O)[C@@H]1CCC(=O)[O-] in-vitro CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc21 ZINC000073069271 27/63/94/191276394 GYLDXIAOMVERTK-UHFFFAOYSA-N 1 309.333 DE 2.38 2 Anodyne low DEAALO CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)[nH+]cnc21 investigational CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc21 ZINC000073069271 27/63/91/191276391 GYLDXIAOMVERTK-UHFFFAOYSA-N 0 309.333 DE 2.38 0 Anodyne ref DEAARN CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc21 investigational O=C(/C=C/N1C[C@H]2C[C@@H]1CN2c1ccccn1)c1ccccc1O ZINC000096032872 04/72/77/402047277 INAICWLVUAKEPB-QSTFCLMHSA-N 0 321.38 DE 2.447 1 Mild mid DEEAMN O=C(/C=C/N1C[C@H]2C[C@@H]1CN2c1ccccn1)c1ccccc1O in-vitro O=C(/C=C/N1C[C@H]2C[C@@H]1CN2c1ccccn1)c1ccccc1O ZINC000096032872 04/72/72/402047272 INAICWLVUAKEPB-QSTFCLMHSA-N -1 321.38 DE 2.447 0 Mild ref DEEARM O=C(/C=C/N1C[C@H]2C[C@@H]1CN2c1ccccn1)c1ccccc1[O-] in-vitro CN1[C@H]2CCC[C@@H]1C[C@H](NC(=O)c1nn(C)c3ccccc13)C2 ZINC000100018854 13/93/82/402139382 MFWNKCLOYSRHCJ-BTTYYORXSA-N 0 312.417 DE 2.318 3 Anodyne high DEAAHN CN1[C@H]2CCC[C@@H]1C[C@H](NC(=O)c1nn(C)c3ccccc13)C2 fda CN1[C@H]2CCC[C@@H]1C[C@H](NC(=O)c1nn(C)c3ccccc13)C2 ZINC000100018854 13/93/81/402139381 MFWNKCLOYSRHCJ-BTTYYORXSA-N 1 312.417 DE 2.318 1 Anodyne mid DEAAMO Cn1nc(C(=O)N[C@@H]2C[C@@H]3CCC[C@H](C2)[N@H+]3C)c2ccccc21 fda CN1[C@H]2CCC[C@@H]1C[C@H](NC(=O)c1nn(C)c3ccccc13)C2 ZINC000100018854 13/93/80/402139380 MFWNKCLOYSRHCJ-BTTYYORXSA-N 1 312.417 DE 2.318 0 Anodyne ref DEAARO Cn1nc(C(=O)N[C@@H]2C[C@@H]3CCC[C@H](C2)[N@@H+]3C)c2ccccc21 fda CCCCCCCCCC(N)(P(=O)(O)O)P(=O)(O)O ZINC000100166436 13/98/95/402139895 TWYYYYAFACTHMV-UHFFFAOYSA-N -3 317.259 DE 2.095 0 Mild ref DEEBRL CCCCCCCCCC([NH3+])(P(=O)([O-])[O-])P(=O)([O-])[O-] in-vitro N#Cc1cccc(-c2c[nH]c3ncnc(N4CCOCC4)c23)c1 ZINC000210747484 27/83/38/402278338 BHTWDJBVZQBRKP-UHFFFAOYSA-N 1 305.341 DE 2.333 1 Mild mid DEEAMO N#Cc1cccc(-c2c[nH]c3nc[nH+]c(N4CCOCC4)c23)c1 in-vitro N#Cc1cccc(-c2c[nH]c3ncnc(N4CCOCC4)c23)c1 ZINC000210747484 27/83/33/402278333 BHTWDJBVZQBRKP-UHFFFAOYSA-N 0 305.341 DE 2.333 0 Mild ref DEEARN N#Cc1cccc(-c2c[nH]c3ncnc(N4CCOCC4)c23)c1 in-vitro