CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OCN4C)CC1 ZINC000000537947 92/13/19/523921319 BPFYOAJNDMUVBL-UHFFFAOYSA-N 0 362.361 FC 0.508 2 Anodyne low FCAALN CN1COc2c(N3CC[NH+](C)CC3)c(F)cc3c(=O)c(C(=O)[O-])cn1c23 in-man CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OCN4C)CC1 ZINC000000537947 92/13/08/523921308 BPFYOAJNDMUVBL-UHFFFAOYSA-N -1 362.361 FC 0.508 0 Anodyne ref FCAARM CN1CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn4c3c2OCN4C)CC1 in-man N[C@H](C(=O)N[C@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]12)c1ccccc1 ZINC000001530581 35/74/30/210357430 QYIYFLOTGYLRGG-PKFCDNJMSA-N 0 367.814 FC 0.621 1 Anodyne mid FCAAMN [NH3+][C@H](C(=O)N[C@H]1C(=O)N2C(C(=O)[O-])=C(Cl)CS[C@H]12)c1ccccc1 N[C@H](C(=O)N[C@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]12)c1ccccc1 ZINC000001530581 35/74/21/210357421 QYIYFLOTGYLRGG-PKFCDNJMSA-N -1 367.814 FC 0.621 0 Anodyne ref FCAARM N[C@H](C(=O)N[C@H]1C(=O)N2C(C(=O)[O-])=C(Cl)CS[C@H]12)c1ccccc1 CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@@H]2SC1 ZINC000001530583 07/57/46/210075746 BOEGTKLJZSQCCD-ZETOZRRWSA-N 0 363.395 FC 0.151 1 Anodyne mid FCABMN CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@H]([NH3+])c3ccc(O)cc3)[C@@H]2SC1 world CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@@H]2SC1 ZINC000001530583 07/57/34/210075734 BOEGTKLJZSQCCD-ZETOZRRWSA-N -1 363.395 FC 0.151 0 Anodyne ref FCABRM CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@@H]2SC1 world CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@@H](N)c3ccc(O)cc3)[C@@H]2SC1 ZINC000001530584 47/01/21/487470121 BOEGTKLJZSQCCD-PGUXBMHVSA-N 0 363.395 FC 0.151 1 Anodyne mid FCAAMN CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@@H]([NH3+])c3ccc(O)cc3)[C@@H]2SC1 world CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@@H](N)c3ccc(O)cc3)[C@@H]2SC1 ZINC000001530584 47/01/20/487470120 BOEGTKLJZSQCCD-PGUXBMHVSA-N -1 363.395 FC 0.151 0 Anodyne ref FCAARM CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@@H](N)c3ccc(O)cc3)[C@@H]2SC1 world CC1(C)S[C@@H]2[C@@H](NC(=O)COc3ccccc3)C(=O)N2[C@@H]1C(=O)O ZINC000001530774 01/22/85/204012285 BPLBGHOLXOTWMN-OUCADQQQSA-N -1 350.396 FC 0.697 0 Anodyne ref FCAARM CC1(C)S[C@@H]2[C@@H](NC(=O)COc3ccccc3)C(=O)N2[C@@H]1C(=O)[O-] investigational CC(C)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@H]1C(=O)N(C)CCc2ccccc21 ZINC000001553254 47/00/61/487470061 PKXWXXPNHIWQHW-MAZHCROVSA-N 0 361.442 FC 0.38 0 Anodyne ref FCABRN CC(C)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@H]1C(=O)N(C)CCc2ccccc21 CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1F ZINC000003806413 47/23/99/487472399 GAGWJHPBXLXJQN-UORFTKCHSA-N 0 359.354 FC 0.76 2 Anodyne low FCAALN CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1F fda CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1F ZINC000003806413 47/23/93/487472393 GAGWJHPBXLXJQN-UORFTKCHSA-N -1 359.354 FC 0.76 0 Anodyne ref FCAARM CCCCCOC(=O)[N-]c1nc(=O)n([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1F fda N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]12)c1ccccc1 ZINC000003812869 47/27/08/487472708 QYIYFLOTGYLRGG-GPCCPHFNSA-N 0 367.814 FC 0.621 1 Anodyne mid FCAAMN [NH3+][C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(Cl)CS[C@H]12)c1ccccc1 fda N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]12)c1ccccc1 ZINC000003812869 47/26/96/487472696 QYIYFLOTGYLRGG-GPCCPHFNSA-N -1 367.814 FC 0.621 0 Anodyne ref FCAARM N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(Cl)CS[C@H]12)c1ccccc1 fda CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O ZINC000003830215 22/94/81/210229481 LSQZJLSUYDQPKJ-NJBDSQKTSA-N 0 365.411 FC 0.024 1 Anodyne mid FCAAMN CC1(C)S[C@@H]2[C@H](NC(=O)[C@H]([NH3+])c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)[O-] fda endogenous CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O ZINC000003830215 22/94/74/210229474 LSQZJLSUYDQPKJ-NJBDSQKTSA-N -1 365.411 FC 0.024 0 Anodyne ref FCAARM CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)[O-] fda endogenous CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@@H]1C(=O)O ZINC000003830216 41/19/71/574411971 LSQZJLSUYDQPKJ-ZHSDAYTOSA-N 0 365.411 FC 0.024 1 Anodyne mid FCAAMN CC1(C)S[C@@H]2[C@H](NC(=O)[C@H]([NH3+])c3ccc(O)cc3)C(=O)N2[C@@H]1C(=O)[O-] in-man endogenous CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@@H]1C(=O)O ZINC000003830216 41/19/69/574411969 LSQZJLSUYDQPKJ-ZHSDAYTOSA-N -1 365.411 FC 0.024 0 Anodyne ref FCAARM CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@@H]1C(=O)[O-] in-man endogenous N[C@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]12)c1ccccc1 ZINC000003830390 11/13/63/204111363 QYIYFLOTGYLRGG-IMSIIYSGSA-N 0 367.814 FC 0.621 1 Anodyne mid FCAAMN [NH3+][C@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(Cl)CS[C@H]12)c1ccccc1 world N[C@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]12)c1ccccc1 ZINC000003830390 11/13/61/204111361 QYIYFLOTGYLRGG-IMSIIYSGSA-N -1 367.814 FC 0.621 0 Anodyne ref FCAARM N[C@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(Cl)CS[C@H]12)c1ccccc1 world CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@H]2SC1 ZINC000003830391 47/23/84/487472384 BOEGTKLJZSQCCD-UEKVPHQBSA-N 0 363.395 FC 0.151 1 Anodyne mid FCAAMN CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@H]([NH3+])c3ccc(O)cc3)[C@H]2SC1 fda CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@H]2SC1 ZINC000003830391 47/23/76/487472376 BOEGTKLJZSQCCD-UEKVPHQBSA-N -1 363.395 FC 0.151 0 Anodyne ref FCAARM CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@H]2SC1 fda CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@H]2SC1 ZINC000003830393 07/95/10/210079510 BOEGTKLJZSQCCD-JRPNMDOOSA-N 0 363.395 FC 0.151 1 Anodyne mid FCABMN CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@H]([NH3+])c3ccc(O)cc3)[C@H]2SC1 world CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@H]2SC1 ZINC000003830393 07/95/06/210079506 BOEGTKLJZSQCCD-JRPNMDOOSA-N -1 363.395 FC 0.151 0 Anodyne ref FCABRM CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@H]2SC1 world CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=O)O ZINC000003831282 47/17/45/487471745 BPLBGHOLXOTWMN-MBNYWOFBSA-N -1 350.396 FC 0.697 0 Anodyne ref FCAARM CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=O)[O-] fda CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@@H]1C(=O)O ZINC000003831283 47/17/12/487471712 BPLBGHOLXOTWMN-YRGRVCCFSA-N -1 350.396 FC 0.697 0 Anodyne ref FCAARM CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@@H]1C(=O)[O-] investigational CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O ZINC000003978046 41/21/19/574412119 LSQZJLSUYDQPKJ-BBGACYKPSA-N 0 365.411 FC 0.024 1 Anodyne mid FCAAMN CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H]([NH3+])c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)[O-] in-man endogenous CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O ZINC000003978046 41/21/18/574412118 LSQZJLSUYDQPKJ-BBGACYKPSA-N -1 365.411 FC 0.024 0 Anodyne ref FCAARM CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)[O-] in-man endogenous CC(C)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@@H]1C(=O)N(C)CCc2ccccc21 ZINC000003989041 47/36/15/487473615 PKXWXXPNHIWQHW-RCBQFDQVSA-N 0 361.442 FC 0.38 0 Anodyne ref FCAARN CC(C)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@@H]1C(=O)N(C)CCc2ccccc21 investigational CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](N)c3ccc(O)cc3)C(=O)N2[C@@H]1C(=O)O ZINC000004042226 11/80/27/204118027 LSQZJLSUYDQPKJ-ICUOPCATSA-N 0 365.411 FC 0.024 1 Anodyne mid FCAAMN CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H]([NH3+])c3ccc(O)cc3)C(=O)N2[C@@H]1C(=O)[O-] in-man endogenous CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](N)c3ccc(O)cc3)C(=O)N2[C@@H]1C(=O)O ZINC000004042226 11/80/21/204118021 LSQZJLSUYDQPKJ-ICUOPCATSA-N -1 365.411 FC 0.024 0 Anodyne ref FCAARM CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](N)c3ccc(O)cc3)C(=O)N2[C@@H]1C(=O)[O-] in-man endogenous N[C@H](C(=O)N[C@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@@H]12)c1ccccc1 ZINC000004536411 14/48/64/204144864 QYIYFLOTGYLRGG-BHDSKKPTSA-N 0 367.814 FC 0.621 1 Anodyne mid FCAAMN [NH3+][C@H](C(=O)N[C@H]1C(=O)N2C(C(=O)[O-])=C(Cl)CS[C@@H]12)c1ccccc1 N[C@H](C(=O)N[C@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@@H]12)c1ccccc1 ZINC000004536411 14/48/62/204144862 QYIYFLOTGYLRGG-BHDSKKPTSA-N -1 367.814 FC 0.621 0 Anodyne ref FCAARM N[C@H](C(=O)N[C@H]1C(=O)N2C(C(=O)[O-])=C(Cl)CS[C@@H]12)c1ccccc1 N[C@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@@H]12)c1ccccc1 ZINC000007996893 51/13/42/487511342 QYIYFLOTGYLRGG-RBZYPMLTSA-N 0 367.814 FC 0.621 1 Anodyne mid FCAAMN [NH3+][C@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(Cl)CS[C@@H]12)c1ccccc1 in-vitro N[C@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@@H]12)c1ccccc1 ZINC000007996893 51/13/33/487511333 QYIYFLOTGYLRGG-RBZYPMLTSA-N -1 367.814 FC 0.621 0 Anodyne ref FCAARM N[C@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(Cl)CS[C@@H]12)c1ccccc1 in-vitro CC1(C)S[C@@H]2[C@@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=O)O ZINC000009302321 52/54/00/487525400 BPLBGHOLXOTWMN-SGMGOOAPSA-N -1 350.396 FC 0.697 0 Anodyne ref FCAARM CC1(C)S[C@@H]2[C@@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=O)[O-] investigational CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@@H](N)c3ccc(O)cc3)[C@H]2SC1 ZINC000011592639 92/30/34/219923034 BOEGTKLJZSQCCD-ZIBATOQPSA-N 0 363.395 FC 0.151 1 Anodyne mid FCABMN CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@@H]([NH3+])c3ccc(O)cc3)[C@H]2SC1 world CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@@H](N)c3ccc(O)cc3)[C@H]2SC1 ZINC000011592639 92/30/29/219923029 BOEGTKLJZSQCCD-ZIBATOQPSA-N -1 363.395 FC 0.151 0 Anodyne ref FCABRM CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@@H](N)c3ccc(O)cc3)[C@H]2SC1 world CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](O)[C@@H]2O)cc1F ZINC000011616162 54/54/02/487545402 GAGWJHPBXLXJQN-GMTLJSCSSA-N 0 359.354 FC 0.76 2 Anodyne low FCAALN CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](O)[C@@H]2O)cc1F in-vitro CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](O)[C@@H]2O)cc1F ZINC000011616162 54/53/85/487545385 GAGWJHPBXLXJQN-GMTLJSCSSA-N -1 359.354 FC 0.76 0 Anodyne ref FCAARM CCCCCOC(=O)[N-]c1nc(=O)n([C@@H]2O[C@H](C)[C@@H](O)[C@@H]2O)cc1F in-vitro C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2O ZINC000012661785 40/62/34/207406234 SDHTXBWLVGWJFT-XKCURVIJSA-N 0 364.438 FC 0.376 0 Mild ref FCEARN C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2O in-vitro biogenic CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@H](O)[C@@H]2O)cc1F ZINC000019615653 69/66/03/204696603 GAGWJHPBXLXJQN-HFHAKLMTSA-N 0 359.354 FC 0.76 2 Anodyne low FCAALN CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@H](O)[C@@H]2O)cc1F in-vitro CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@H](O)[C@@H]2O)cc1F ZINC000019615653 69/65/99/204696599 GAGWJHPBXLXJQN-HFHAKLMTSA-N -1 359.354 FC 0.76 0 Anodyne ref FCAARM CCCCCOC(=O)[N-]c1nc(=O)n([C@@H]2O[C@H](C)[C@H](O)[C@@H]2O)cc1F in-vitro CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@H](O)[C@H]2O)cc1F ZINC000019615657 28/13/52/220281352 GAGWJHPBXLXJQN-IHXVIFPJSA-N 0 359.354 FC 0.76 2 Anodyne low FCAALN CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@H](O)[C@H]2O)cc1F CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@H](O)[C@H]2O)cc1F ZINC000019615657 28/13/46/220281346 GAGWJHPBXLXJQN-IHXVIFPJSA-N -1 359.354 FC 0.76 0 Anodyne ref FCAARM CCCCCOC(=O)[N-]c1nc(=O)n([C@@H]2O[C@H](C)[C@H](O)[C@H]2O)cc1F Cn1c(=O)cc(N2CCC[C@H](N)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC000034505195 78/78/70/570787870 IWYJYHUNXVAVAA-HNNXBMFYSA-N 1 357.389 FC 0.534 0 Anodyne ref FCAARO Cn1c(=O)cc(N2CCC[C@H]([NH3+])C2)n(Cc2cc(F)ccc2C#N)c1=O in-vitro Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC000034505198 77/06/03/570770603 IWYJYHUNXVAVAA-OAHLLOKOSA-N 1 357.389 FC 0.534 0 Mild ref FCEARO Cn1c(=O)cc(N2CCC[C@@H]([NH3+])C2)n(Cc2cc(F)ccc2C#N)c1=O in-man CC(C)[C@@H](O)C(=O)N[C@@H](C)C(=O)N[C@@H]1C(=O)N(C)CCc2ccccc21 ZINC000045673147 94/83/12/487948312 PKXWXXPNHIWQHW-VBNZEHGJSA-N 0 361.442 FC 0.38 0 Anodyne ref FCABRN CC(C)[C@@H](O)C(=O)N[C@@H](C)C(=O)N[C@@H]1C(=O)N(C)CCc2ccccc21 in-vitro CC(C)[C@@H](O)C(=O)N[C@@H](C)C(=O)N[C@H]1C(=O)N(C)CCc2ccccc21 ZINC000051951644 03/66/85/221036685 PKXWXXPNHIWQHW-APHBMKBZSA-N 0 361.442 FC 0.38 0 Anodyne ref FCABRN CC(C)[C@@H](O)C(=O)N[C@@H](C)C(=O)N[C@H]1C(=O)N(C)CCc2ccccc21 CCn1c(N)c(C(=O)NC)c(=O)c2ccc(C#C[C@@](C)(O)COC)nc21 ZINC000089630340 23/67/38/210236738 PFMPOBVAYMTUOX-GOSISDBHSA-N 0 358.398 FC 0.107 0 Mild ref FCEARN CCn1c(N)c(C(=O)NC)c(=O)c2ccc(C#C[C@@](C)(O)COC)nc21 in-vivo CCn1c(N)c(C(=O)NC)c(=O)c2ccc(C#C[C@](C)(O)COC)nc21 ZINC000096168465 49/03/11/488490311 PFMPOBVAYMTUOX-SFHVURJKSA-N 0 358.398 FC 0.107 0 Mild ref FCEARN CCn1c(N)c(C(=O)NC)c(=O)c2ccc(C#C[C@](C)(O)COC)nc21 in-vitro