CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@H](O)c1ccccc1)C2 ZINC000000000367 87/93/00/355879300 ZTVIKZXZYLEVOL-IZGVIRRGSA-N 1 275.348 CD 1.888 1 Anodyne mid CDAAMO C[N@H+]1[C@H]2CC[C@@H]1CC(OC(=O)[C@H](O)c1ccccc1)C2 in-vitro CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@H](O)c1ccccc1)C2 ZINC000000000367 87/92/95/355879295 ZTVIKZXZYLEVOL-IZGVIRRGSA-N 1 275.348 CD 1.888 0 Anodyne ref CDAARO C[N@@H+]1[C@H]2CC[C@@H]1CC(OC(=O)[C@H](O)c1ccccc1)C2 in-vitro CCN(CC)S(=O)(=O)c1ccc(C(=O)O)cc1 ZINC000000001380 87/99/05/355879905 UACOQEQOBAQRDQ-UHFFFAOYSA-N -1 257.311 CD 1.415 0 Anodyne ref CDAARM CCN(CC)S(=O)(=O)c1ccc(C(=O)[O-])cc1 in-man CC(=O)SCCC(=O)N1[C@H](C)CCC[C@@H]1C(=O)O ZINC000000006582 22/28/79/278222879 JHFOAISYWJRTIM-PSASIEDQSA-N -1 273.354 CD 1.51 0 Anodyne ref CDAARM CC(=O)SCCC(=O)N1[C@H](C)CCC[C@@H]1C(=O)[O-] in-vitro CCOC(=O)c1sc(N)c(C(=O)OCC)c1C ZINC000000035834 88/01/84/355880184 DGVXLHAJVRRLGV-UHFFFAOYSA-N 0 257.311 CD 1.992 0 Anodyne ref CDAARN CCOC(=O)c1sc(N)c(C(=O)OCC)c1C CCc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1 ZINC000000049138 88/09/61/355880961 SVYBEBLNQGDRHF-UHFFFAOYSA-N 0 284.366 CD 1.484 2 Anodyne low CDAALN CCc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1 in-man CCc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1 ZINC000000049138 88/09/55/355880955 SVYBEBLNQGDRHF-UHFFFAOYSA-N -1 284.366 CD 1.484 0 Anodyne ref CDAARM CCc1nnc([N-]S(=O)(=O)c2ccc(N)cc2)s1 in-man Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1 ZINC000000089763 36/36/56/301363656 JLKIGFTWXXRPMT-UHFFFAOYSA-N 0 253.283 CD 1.366 2 Anodyne low CDAALN Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1 fda Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1 ZINC000000089763 36/36/49/301363649 JLKIGFTWXXRPMT-UHFFFAOYSA-N -1 253.283 CD 1.366 0 Anodyne ref CDAARM Cc1cc([N-]S(=O)(=O)c2ccc(N)cc2)no1 fda COc1ccc(C(=O)O)cc1I ZINC000000096394 09/89/52/295098952 HNJSYSWRPCCSQI-UHFFFAOYSA-N -1 278.045 CD 1.998 0 Anodyne ref CDAARM COc1ccc(C(=O)[O-])cc1I Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000000142735 55/19/84/169551984 TWDXGFYTZRHHCF-UHFFFAOYSA-N 0 254.355 CD 1.88 0 Anodyne ref CDAARN Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000000246428 89/82/48/355898248 FHCOBXPSQPZHOU-UHFFFAOYSA-N 0 254.355 CD 1.834 0 Anodyne ref CDAARN Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 CC(=O)SCCC(=O)N1[C@@H](C)CCC[C@H]1C(=O)O ZINC000000287110 22/28/88/278222888 JHFOAISYWJRTIM-WPRPVWTQSA-N -1 273.354 CD 1.51 0 Anodyne ref CDAARM CC(=O)SCCC(=O)N1[C@@H](C)CCC[C@H]1C(=O)[O-] in-vitro CC1CCN(S(=O)(=O)c2ccc(N)cc2)CC1 ZINC000000287921 90/08/62/355900862 NTUKRLPMKLQAAE-UHFFFAOYSA-N 0 254.355 CD 1.689 0 Anodyne ref CDAARN CC1CCN(S(=O)(=O)c2ccc(N)cc2)CC1 Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 ZINC000000359035 90/58/69/355905869 BYWZPUPRVIECEC-UHFFFAOYSA-N 0 276.361 CD 1.79 0 Anodyne ref CDAARN Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 in-vitro Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1 ZINC000000556245 91/56/00/355915600 ZHKXBELKPQXYEH-UHFFFAOYSA-N 0 262.334 CD 1.747 0 Anodyne ref CDAARN Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1 C=CCOc1ccccc1OC[C@H](O)CNC(C)C ZINC000001542924 46/25/85/361462585 CEMAWMOMDPGJMB-CYBMUJFWSA-N 1 265.353 CD 1.989 0 Mild ref CDEARO C=CCOc1ccccc1OC[C@H](O)C[NH2+]C(C)C world CCOC(=O)[C@@H](c1ccccc1)[C@@H]1N[C@H](C(=O)O)CS1 ZINC000001593124 94/13/29/355941329 XDBMTQVSHNQIFU-SDDRHHMPSA-N 0 295.36 CD 1.449 2 Anodyne low CDAALN CCOC(=O)[C@@H](c1ccccc1)[C@@H]1[NH2+][C@H](C(=O)[O-])CS1 CCOC(=O)[C@@H](c1ccccc1)[C@@H]1N[C@H](C(=O)O)CS1 ZINC000001593124 94/13/27/355941327 XDBMTQVSHNQIFU-SDDRHHMPSA-N -1 295.36 CD 1.449 0 Anodyne ref CDAARM CCOC(=O)[C@@H](c1ccccc1)[C@@H]1N[C@H](C(=O)[O-])CS1 O=C(O)C[C@@H]1C(=O)NCCN1Cc1cccc2ccccc12 ZINC000001926532 95/55/31/355955531 STFMMAZDBQEUDU-OAHLLOKOSA-N 0 298.342 CD 1.615 1 Anodyne mid CDAAMN O=C([O-])C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc2ccccc12 O=C(O)C[C@@H]1C(=O)NCCN1Cc1cccc2ccccc12 ZINC000001926532 95/55/27/355955527 STFMMAZDBQEUDU-OAHLLOKOSA-N 0 298.342 CD 1.615 1 Anodyne mid CDAAMN O=C([O-])C[C@@H]1C(=O)NCC[N@H+]1Cc1cccc2ccccc12 O=C(O)C[C@@H]1C(=O)NCCN1Cc1cccc2ccccc12 ZINC000001926532 95/55/21/355955521 STFMMAZDBQEUDU-OAHLLOKOSA-N -1 298.342 CD 1.615 0 Anodyne ref CDAARM O=C([O-])C[C@@H]1C(=O)NCCN1Cc1cccc2ccccc12 O=C(O)C[C@H]1C(=O)NCCN1Cc1cccc2ccccc12 ZINC000001926534 95/52/00/355955200 STFMMAZDBQEUDU-HNNXBMFYSA-N 0 298.342 CD 1.615 1 Anodyne mid CDAAMN O=C([O-])C[C@H]1C(=O)NCC[N@@H+]1Cc1cccc2ccccc12 O=C(O)C[C@H]1C(=O)NCCN1Cc1cccc2ccccc12 ZINC000001926534 95/51/97/355955197 STFMMAZDBQEUDU-HNNXBMFYSA-N 0 298.342 CD 1.615 1 Anodyne mid CDAAMN O=C([O-])C[C@H]1C(=O)NCC[N@H+]1Cc1cccc2ccccc12 O=C(O)C[C@H]1C(=O)NCCN1Cc1cccc2ccccc12 ZINC000001926534 95/51/94/355955194 STFMMAZDBQEUDU-HNNXBMFYSA-N -1 298.342 CD 1.615 0 Anodyne ref CDAARM O=C([O-])C[C@H]1C(=O)NCCN1Cc1cccc2ccccc12 O=C(O)C[C@@H]1C(=O)NCCN1Cc1ccccc1Cl ZINC000001926669 07/46/94/304074694 SPWNROYGRVIXKP-LLVKDONJSA-N -1 282.727 CD 1.115 0 Anodyne ref CDAARM O=C([O-])C[C@@H]1C(=O)NCCN1Cc1ccccc1Cl O=C(O)C[C@H]1C(=O)NCCN1Cc1ccccc1Cl ZINC000001926671 08/23/37/304082337 SPWNROYGRVIXKP-NSHDSACASA-N -1 282.727 CD 1.115 0 Anodyne ref CDAARM O=C([O-])C[C@H]1C(=O)NCCN1Cc1ccccc1Cl CCN(CC)CCNC(=O)c1ccc(NC(C)=O)cc1 ZINC000001999404 95/73/43/355957343 KEECCEWTUVWFCV-UHFFFAOYSA-N 1 277.368 CD 1.717 0 Anodyne ref CDAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(C)=O)cc1 in-man endogenous C=CCOc1ccccc1OC[C@@H](O)CNC(C)C ZINC000001999544 76/64/04/169766404 CEMAWMOMDPGJMB-ZDUSSCGKSA-N 1 265.353 CD 1.989 0 Mild ref CDEARO C=CCOc1ccccc1OC[C@@H](O)C[NH2+]C(C)C world Nc1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000002487602 79/47/90/169794790 GDZYTNDTKOAWSN-UHFFFAOYSA-N 0 252.295 CD 1.34 0 Anodyne ref CDAARN Nc1ccc(S(=O)(=O)NCc2ccco2)cc1 C=CCN(CC=C)S(=O)(=O)c1ccc(N)cc1 ZINC000002716166 87/23/10/358872310 AXARZLMYPYOPDX-UHFFFAOYSA-N 0 252.339 CD 1.632 0 Mild ref CDEARN C=CCN(CC=C)S(=O)(=O)c1ccc(N)cc1 Cc1ccc(S(=O)(=O)OC[C@H]2CCCO2)cc1 ZINC000003051368 99/28/74/355992874 FDMKROMOVVBUIJ-LLVKDONJSA-N 0 256.323 CD 1.879 0 Mild ref CDEARN Cc1ccc(S(=O)(=O)OC[C@H]2CCCO2)cc1 Cc1ccc(S(=O)(=O)OC[C@@H]2CCCO2)cc1 ZINC000003051370 99/28/64/355992864 FDMKROMOVVBUIJ-NSHDSACASA-N 0 256.323 CD 1.879 0 Mild ref CDEARN Cc1ccc(S(=O)(=O)OC[C@@H]2CCCO2)cc1 CC(=O)SCCC(=O)N1[C@@H](C)CCC[C@@H]1C(=O)O ZINC000003882554 22/29/33/278222933 JHFOAISYWJRTIM-WCBMZHEXSA-N -1 273.354 CD 1.51 0 Anodyne ref CDAARM CC(=O)SCCC(=O)N1[C@@H](C)CCC[C@@H]1C(=O)[O-] in-vitro CC(=O)SCCC(=O)N1[C@H](C(=O)O)CCC[C@H]1C ZINC000003882555 22/29/24/278222924 JHFOAISYWJRTIM-SCZZXKLOSA-N -1 273.354 CD 1.51 0 Anodyne ref CDAARM CC(=O)SCCC(=O)N1[C@H](C(=O)[O-])CCC[C@H]1C in-vitro O=C(O)CCC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000004187930 02/07/81/356020781 RQMKBOIGAVXXMQ-UHFFFAOYSA-N -1 290.363 CD 1.632 3 Anodyne high CDAAHM O=C([O-])CCC(=O)NC1CCN(Cc2ccccc2)CC1 O=C(O)CCC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000004187930 02/07/70/356020770 RQMKBOIGAVXXMQ-UHFFFAOYSA-N 0 290.363 CD 1.632 0 Anodyne ref CDAARN O=C([O-])CCC(=O)NC1CC[NH+](Cc2ccccc2)CC1 COC(=O)c1c(NC(=O)CCC(=O)O)sc2c1CCC2 ZINC000004298548 02/65/14/356026514 QHJPFVCKBIQIHJ-UHFFFAOYSA-N -1 297.332 CD 1.827 0 Clean ref CDCARM COC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1CCC2 CCOC(=O)[C@H](c1ccccc1)[C@@H]1N[C@H](C(=O)O)CS1 ZINC000004661034 03/95/30/356039530 XDBMTQVSHNQIFU-QJPTWQEYSA-N 0 295.36 CD 1.449 2 Anodyne low CDAALN CCOC(=O)[C@H](c1ccccc1)[C@@H]1[NH2+][C@H](C(=O)[O-])CS1 CCOC(=O)[C@H](c1ccccc1)[C@@H]1N[C@H](C(=O)O)CS1 ZINC000004661034 03/95/25/356039525 XDBMTQVSHNQIFU-QJPTWQEYSA-N -1 295.36 CD 1.449 0 Anodyne ref CDAARM CCOC(=O)[C@H](c1ccccc1)[C@@H]1N[C@H](C(=O)[O-])CS1 CCOC(=O)[C@@H](c1ccccc1)[C@H]1N[C@H](C(=O)O)CS1 ZINC000004661036 99/49/89/169994989 XDBMTQVSHNQIFU-SRVKXCTJSA-N 0 295.36 CD 1.449 2 Anodyne low CDAALN CCOC(=O)[C@@H](c1ccccc1)[C@H]1[NH2+][C@H](C(=O)[O-])CS1 CCOC(=O)[C@@H](c1ccccc1)[C@H]1N[C@H](C(=O)O)CS1 ZINC000004661036 99/49/87/169994987 XDBMTQVSHNQIFU-SRVKXCTJSA-N -1 295.36 CD 1.449 0 Anodyne ref CDAARM CCOC(=O)[C@@H](c1ccccc1)[C@H]1N[C@H](C(=O)[O-])CS1 CCOC(=O)[C@H](c1ccccc1)[C@H]1N[C@H](C(=O)O)CS1 ZINC000004661039 99/48/44/169994844 XDBMTQVSHNQIFU-TUAOUCFPSA-N 0 295.36 CD 1.449 2 Anodyne low CDAALN CCOC(=O)[C@H](c1ccccc1)[C@H]1[NH2+][C@H](C(=O)[O-])CS1 CCOC(=O)[C@H](c1ccccc1)[C@H]1N[C@H](C(=O)O)CS1 ZINC000004661039 99/48/40/169994840 XDBMTQVSHNQIFU-TUAOUCFPSA-N -1 295.36 CD 1.449 0 Anodyne ref CDAARM CCOC(=O)[C@H](c1ccccc1)[C@H]1N[C@H](C(=O)[O-])CS1 COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC ZINC000006627681 65/37/66/543653766 IEDVJHCEMCRBQM-UHFFFAOYSA-N 1 290.323 CD 1.258 1 Anodyne mid CDAAMO COc1cc(Cc2c[nH+]c(N)nc2N)cc(OC)c1OC fda aggregator COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC ZINC000006627681 65/37/61/543653761 IEDVJHCEMCRBQM-UHFFFAOYSA-N 0 290.323 CD 1.258 0 Anodyne ref CDAARN COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC fda aggregator CC(C)C(=O)Nc1ccc(NC(=O)/C=C/C(=O)O)cc1 ZINC000009230403 36/74/84/170367484 NBAILBXIPAATKE-BQYQJAHWSA-N -1 276.292 CD 1.86 0 Anodyne ref CDAARM CC(C)C(=O)Nc1ccc(NC(=O)/C=C/C(=O)[O-])cc1 CC(C)C(=O)Nc1cccc(NC(=O)/C=C/C(=O)O)c1 ZINC000009231670 36/76/09/170367609 WZQOWDIGATYPRQ-VOTSOKGWSA-N -1 276.292 CD 1.86 0 Anodyne ref CDAARM CC(C)C(=O)Nc1cccc(NC(=O)/C=C/C(=O)[O-])c1 COCCOc1cccc(NC(=O)CCC(=O)O)c1 ZINC000010154960 39/90/20/170399020 PPTCXRAGQNJUDO-UHFFFAOYSA-N -1 267.281 CD 1.515 0 Anodyne ref CDAARM COCCOc1cccc(NC(=O)CCC(=O)[O-])c1 CCN(CC)C(=O)c1cccc(NC(=O)CCC(=O)O)c1 ZINC000012138834 28/84/90/356288490 IYTWZFZXENEIDE-UHFFFAOYSA-N -1 292.335 CD 1.972 0 Anodyne ref CDAARM CCN(CC)C(=O)c1cccc(NC(=O)CCC(=O)[O-])c1 CC[C@@H](C)NC(=O)c1cccc(NC(=O)/C=C/C(=O)O)c1 ZINC000012138853 28/77/97/356287797 NRFLSOCEGGWWGU-QROSGCPLSA-N -1 290.319 CD 1.794 0 Anodyne ref CDAARM CC[C@@H](C)NC(=O)c1cccc(NC(=O)/C=C/C(=O)[O-])c1 CC[C@H](C)NC(=O)c1cccc(NC(=O)/C=C/C(=O)O)c1 ZINC000012138854 28/78/69/356287869 NRFLSOCEGGWWGU-JARNTUPDSA-N -1 290.319 CD 1.794 0 Anodyne ref CDAARM CC[C@H](C)NC(=O)c1cccc(NC(=O)/C=C/C(=O)[O-])c1 CCCNC(=O)c1ccc(NC(=O)CCC(=O)O)cc1 ZINC000012138855 28/84/54/356288454 ZNDZPTPLOKEAGO-UHFFFAOYSA-N -1 278.308 CD 1.63 0 Anodyne ref CDAARM CCCNC(=O)c1ccc(NC(=O)CCC(=O)[O-])cc1 CC(C)(C)NC(=O)c1ccc(NC(=O)/C=C/C(=O)O)cc1 ZINC000012138865 28/84/70/356288470 MTSHPRGXXATLPV-CMDGGOBGSA-N -1 290.319 CD 1.794 0 Anodyne ref CDAARM CC(C)(C)NC(=O)c1ccc(NC(=O)/C=C/C(=O)[O-])cc1 CCCCNC(=O)c1ccc(NC(=O)/C=C/C(=O)O)cc1 ZINC000012138870 28/84/47/356288447 HLDINYNCGCPLJC-CMDGGOBGSA-N -1 290.319 CD 1.796 0 Anodyne ref CDAARM CCCCNC(=O)c1ccc(NC(=O)/C=C/C(=O)[O-])cc1 CCCNC(=O)c1cccc(NC(=O)CCC(=O)O)c1 ZINC000012138871 47/08/68/170470868 KHAZBIWLSPQQFN-UHFFFAOYSA-N -1 278.308 CD 1.63 0 Anodyne ref CDAARM CCCNC(=O)c1cccc(NC(=O)CCC(=O)[O-])c1 CCN(CC)C(=O)c1ccc(NC(=O)CCC(=O)O)cc1 ZINC000012138872 47/09/31/170470931 RFMLKYMGAYQGBE-UHFFFAOYSA-N -1 292.335 CD 1.972 0 Anodyne ref CDAARM CCN(CC)C(=O)c1ccc(NC(=O)CCC(=O)[O-])cc1 CCN(CC)C(=O)c1ccc(NC(=O)/C=C/C(=O)O)cc1 ZINC000012138877 47/09/74/170470974 HBGCCSJGVXGWQH-MDZDMXLPSA-N -1 290.319 CD 1.748 0 Anodyne ref CDAARM CCN(CC)C(=O)c1ccc(NC(=O)/C=C/C(=O)[O-])cc1 CC(C)NC(=O)c1cccc(NC(=O)CCC(=O)O)c1 ZINC000012138884 28/79/10/356287910 ZNEMYADOXLRHOE-UHFFFAOYSA-N -1 278.308 CD 1.628 0 Anodyne ref CDAARM CC(C)NC(=O)c1cccc(NC(=O)CCC(=O)[O-])c1 O=C(O)/C=C/C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 ZINC000012403785 29/75/91/356297591 IGZFIIDMMGWAHE-BQYQJAHWSA-N -1 288.303 CD 1.502 0 Anodyne ref CDAARM O=C([O-])/C=C/C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 CCN(CC)C(=O)c1cccc(NC(=O)/C=C/C(=O)O)c1 ZINC000012403835 29/79/95/356297995 HVLVQGBGTPINPN-CMDGGOBGSA-N -1 290.319 CD 1.748 0 Anodyne ref CDAARM CCN(CC)C(=O)c1cccc(NC(=O)/C=C/C(=O)[O-])c1 CCC(=O)Nc1ccc(NC(=O)/C=C/C(=O)O)cc1 ZINC000012403837 29/78/87/356297887 YNVCXVONGMHDMV-BQYQJAHWSA-N -1 262.265 CD 1.614 0 Anodyne ref CDAARM CCC(=O)Nc1ccc(NC(=O)/C=C/C(=O)[O-])cc1 CN(C)C(=O)c1ccc(NC(=O)CCC(=O)O)cc1 ZINC000013625042 35/08/01/356350801 FIIPLDKJNZYJFV-UHFFFAOYSA-N -1 264.281 CD 1.192 0 Anodyne ref CDAARM CN(C)C(=O)c1ccc(NC(=O)CCC(=O)[O-])cc1 O=C(O)CCC(=O)Nc1cccc(C(=O)N2CCCC2)c1 ZINC000014559597 39/11/09/356391109 IHKPYRWTCJENLV-UHFFFAOYSA-N -1 290.319 CD 1.726 0 Anodyne ref CDAARM O=C([O-])CCC(=O)Nc1cccc(C(=O)N2CCCC2)c1 CCOC(=O)[C@H](c1ccccc1)[C@@H]1N[C@@H](C(=O)O)CS1 ZINC000017143116 45/59/24/356455924 XDBMTQVSHNQIFU-IJLUTSLNSA-N 0 295.36 CD 1.449 2 Anodyne low CDAALN CCOC(=O)[C@H](c1ccccc1)[C@@H]1[NH2+][C@@H](C(=O)[O-])CS1 CCOC(=O)[C@H](c1ccccc1)[C@@H]1N[C@@H](C(=O)O)CS1 ZINC000017143116 45/59/23/356455923 XDBMTQVSHNQIFU-IJLUTSLNSA-N -1 295.36 CD 1.449 0 Anodyne ref CDAARM CCOC(=O)[C@H](c1ccccc1)[C@@H]1N[C@@H](C(=O)[O-])CS1 CCOC(=O)[C@H](c1ccccc1)[C@H]1N[C@@H](C(=O)O)CS1 ZINC000017143118 45/55/45/356455545 XDBMTQVSHNQIFU-UTUOFQBUSA-N 0 295.36 CD 1.449 2 Anodyne low CDAALN CCOC(=O)[C@H](c1ccccc1)[C@H]1[NH2+][C@@H](C(=O)[O-])CS1 CCOC(=O)[C@H](c1ccccc1)[C@H]1N[C@@H](C(=O)O)CS1 ZINC000017143118 45/55/39/356455539 XDBMTQVSHNQIFU-UTUOFQBUSA-N -1 295.36 CD 1.449 0 Anodyne ref CDAARM CCOC(=O)[C@H](c1ccccc1)[C@H]1N[C@@H](C(=O)[O-])CS1 Fc1ccc(C(N2CCOCC2)N2CCOCC2)cc1 ZINC000019326206 12/96/25/303129625 XPRMZPGIFMALGL-UHFFFAOYSA-N 0 280.343 CD 1.489 0 Anodyne ref CDAARN Fc1ccc(C(N2CCOCC2)N2CCOCC2)cc1 COc1ccc(CN2CCNCC2)c(OC)c1OC ZINC000019358638 48/24/30/356482430 UHWVSEOVJBQKBE-UHFFFAOYSA-N 1 266.341 CD 1.118 0 Anodyne ref CDAARO COc1ccc(CN2CC[NH2+]CC2)c(OC)c1OC world OCC[C@@H]1CNCCN1Cc1c[nH]c2ccccc12 ZINC000019368017 48/33/56/356483356 ILBFTINLKPCDMK-CYBMUJFWSA-N 1 259.353 CD 1.324 0 Anodyne ref CDAARO OCC[C@@H]1C[NH2+]CCN1Cc1c[nH]c2ccccc12 OCC[C@H]1CNCCN1Cc1c[nH]c2ccccc12 ZINC000019368018 77/76/14/170777614 ILBFTINLKPCDMK-ZDUSSCGKSA-N 1 259.353 CD 1.324 0 Anodyne ref CDAARO OCC[C@H]1C[NH2+]CCN1Cc1c[nH]c2ccccc12 Clc1ccc2nsnc2c1N=C1NCCN1 ZINC000019702309 52/56/18/282525618 XFYDIVBRZNQMJC-UHFFFAOYSA-N 0 253.718 CD 1.525 1 Mild mid CDEAMN Clc1ccc2nsnc2c1NC1=NCCN1 fda Clc1ccc2nsnc2c1N=C1NCCN1 ZINC000019702309 52/56/15/282525615 XFYDIVBRZNQMJC-UHFFFAOYSA-N 1 253.718 CD 1.525 0 Mild ref CDEARO Clc1ccc2nsnc2c1NC1=[NH+]CCN1 fda CCOc1ccc(CN2CCNC[C@@H]2CCO)cc1 ZINC000019860706 51/12/22/356511222 QIHCCUFYBADKBX-AWEZNQCLSA-N 1 264.369 CD 1.241 0 Anodyne ref CDAARO CCOc1ccc(CN2CC[NH2+]C[C@@H]2CCO)cc1 CCOc1ccc(CN2CCNC[C@H]2CCO)cc1 ZINC000019860708 51/10/98/356511098 QIHCCUFYBADKBX-CQSZACIVSA-N 1 264.369 CD 1.241 0 Anodyne ref CDAARO CCOc1ccc(CN2CC[NH2+]C[C@H]2CCO)cc1 Brc1c(N=C2NCCN2)ccc2nccnc12 ZINC000021303210 30/15/93/171301593 XYLJNLCSTIOKRM-UHFFFAOYSA-N 0 292.14 CD 1.573 3 Mild high CDEAHN Brc1c(NC2=NCCN2)ccc2nccnc12 fda Brc1c(N=C2NCCN2)ccc2nccnc12 ZINC000021303210 30/15/92/171301592 XYLJNLCSTIOKRM-UHFFFAOYSA-N 1 292.14 CD 1.573 0 Mild ref CDEARO Brc1c(NC2=[NH+]CCN2)ccc2nccnc12 fda CCOc1ccccc1CN1CCNC[C@@H]1CCO ZINC000038534367 14/47/24/174144724 YEGMTPFFDQKLQF-AWEZNQCLSA-N 1 264.369 CD 1.241 0 Anodyne ref CDAARO CCOc1ccccc1CN1CC[NH2+]C[C@@H]1CCO CCOc1ccccc1CN1CCNC[C@H]1CCO ZINC000038534369 14/48/54/174144854 YEGMTPFFDQKLQF-CQSZACIVSA-N 1 264.369 CD 1.241 0 Anodyne ref CDAARO CCOc1ccccc1CN1CC[NH2+]C[C@H]1CCO OCC[C@H]1CNCCN1CCc1c(F)cccc1Cl ZINC000066275280 56/10/75/357561075 MMEUVVAXXZVWNA-NSHDSACASA-N 1 286.778 CD 1.678 0 Anodyne ref CDAARO OCC[C@H]1C[NH2+]CCN1CCc1c(F)cccc1Cl OCC[C@@H]1CNCCN1CCc1c(F)cccc1Cl ZINC000066275281 75/63/05/175756305 MMEUVVAXXZVWNA-LLVKDONJSA-N 1 286.778 CD 1.678 0 Anodyne ref CDAARO OCC[C@@H]1C[NH2+]CCN1CCc1c(F)cccc1Cl O=C(O)COc1cccc2c(OCC(=O)O)cccc12 ZINC000098063837 81/10/82/358811082 HAMZDAPGNZNQHI-UHFFFAOYSA-N -2 276.244 CD 1.767 0 Anodyne ref CDAARL O=C([O-])COc1cccc2c(OCC(=O)[O-])cccc12 COc1ccc2c(c1)c1c3n2CCN(C)C3=NCC1 ZINC000100011469 74/66/59/391746659 GVXBHSBKKJRBMS-UHFFFAOYSA-N 0 255.321 CD 1.898 3 Anodyne high CDAAHN COc1ccc2c(c1)c1c3n2CCN(C)C3=NCC1 in-man COc1ccc2c(c1)c1c3n2CCN(C)C3=NCC1 ZINC000100011469 74/66/53/391746653 GVXBHSBKKJRBMS-UHFFFAOYSA-N 1 255.321 CD 1.898 0 Anodyne ref CDAARO COc1ccc2c(c1)c1c3n2CCN(C)C3=[NH+]CC1 in-man N#CCCN(C1=CC(=O)C=CC1=O)c1ccccc1 ZINC000100011642 81/71/82/358817182 SMESDIYEFMCACW-UHFFFAOYSA-N 0 252.273 CD 1.999 0 Mild ref CDEARN N#CCCN(C1=CC(=O)C=CC1=O)c1ccccc1 CCOC(=O)[C@H]1C(=O)CC(=O)C[C@H]1c1ccccc1 ZINC000100011708 44/56/90/390445690 BXVBHUOYUZLPLZ-GXTWGEPZSA-N 0 260.289 CD 1.881 0 Anodyne ref CDAARN CCOC(=O)[C@H]1C(=O)CC(=O)C[C@H]1c1ccccc1 CCOC(=O)[C@@H]1C(=O)CC(=O)C[C@H]1c1ccccc1 ZINC000100011711 81/75/61/358817561 BXVBHUOYUZLPLZ-JSGCOSHPSA-N 0 260.289 CD 1.881 0 Anodyne ref CDAARN CCOC(=O)[C@@H]1C(=O)CC(=O)C[C@H]1c1ccccc1 CCOC(=O)[C@H]1C(=O)CC(=O)C[C@@H]1c1ccccc1 ZINC000100011714 81/75/83/358817583 BXVBHUOYUZLPLZ-TZMCWYRMSA-N 0 260.289 CD 1.881 0 Anodyne ref CDAARN CCOC(=O)[C@H]1C(=O)CC(=O)C[C@@H]1c1ccccc1 CCOC(=O)[C@@H]1C(=O)CC(=O)C[C@@H]1c1ccccc1 ZINC000100011716 85/60/46/285856046 BXVBHUOYUZLPLZ-OCCSQVGLSA-N 0 260.289 CD 1.881 0 Anodyne ref CDAARN CCOC(=O)[C@@H]1C(=O)CC(=O)C[C@@H]1c1ccccc1