smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CN(C)c1ccc(CNC(=O)COCCO)cc1F 188814878 JOYLTXSXCBPMIX-UHFFFAOYSA-N 270.304 0.517 10 10 CCCE Cc1nn(C)cc1[C@H](NCCCN=[N+]=[N-])C(N)=O 128215508 RMTZKSRUKKPJTQ-VIFPVBQESA-N 251.294 0.545 10 10 CCCE CS(=O)(=O)CS(=O)(=O)Nc1ccc(O)cc1Cl 130145103 ZRCJFWOQVXYGRE-UHFFFAOYSA-N 299.757 0.789 10 10 CCCE CCNC(=O)CNCc1cc2c(cc1O)OCO2 42879783 RRNSJDGNXRZJDL-UHFFFAOYSA-N 252.270 0.347 10 10 CCCE C[C@H](c1cc(F)ccc1O)N1CCNC[C@@H]1C(=O)N(C)C 94621981 XVVWUWRGAZLKMW-ZWNOBZJWSA-N 295.358 0.954 10 10 CCCE C[C@@H]1CN(C(=O)c2ccc(O)c(O)c2)C[C@H]1C(=O)O 235357457 VSLPDKAKMJISHP-VXNVDRBHSA-N 265.265 0.891 10 10 CCCE CNC(=O)c1ccc(NCCOc2ccc(N)cc2)nn1 95013039 KEYAHLPWBQBWNX-UHFFFAOYSA-N 287.323 0.909 10 10 CCCE CSc1nc2ncn(CC(=O)C(C)=O)c(=O)c2s1 289638630 MZADAVJONDYIIN-UHFFFAOYSA-N 283.334 0.733 10 10 CCCE CC(=O)C(=O)COC(=O)c1ccc(-n2cccn2)nc1 808500336 YMEPPXAWMHNDRE-UHFFFAOYSA-N 273.248 0.582 10 10 CCCE C[C@H](N[C@@H]1CCN(CC(=O)O)C1)c1c(O)cccc1O 2169331160 LIKPKDNYTCXVDP-VHSXEESVSA-N 280.324 0.907 10 10 CCCE COc1cccc(O)c1CN1CCOCCC12CNC2 2167624253 LSWXDOFHQMAVCA-UHFFFAOYSA-N 278.352 0.965 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)[C@@H]1[C@H]2CC[C@H]1NC2 2163763687 CDDVLGSREHEUBY-MISXGVKJSA-N 276.336 0.755 10 10 CCCE CCOc1ccc(O)c(CN2CCC(CO)(CO)C2)c1 827482320 WGIZAFRBIIQFCT-UHFFFAOYSA-N 281.352 0.968 10 10 CCCE C[C@H](NS(C)(=O)=O)C(=O)NCc1c(O)cccc1F 928706247 TTXXVBIGHGMPTE-ZETCQYMHSA-N 290.316 0.085 10 10 CCCE C[C@@H](Cc1ccc(N)cc1)N1CCN(CCO)CC1 71426023 JJVBTAAURSCQHH-ZDUSSCGKSA-N 263.385 0.810 10 10 CCCE C[C@]1(CO)C[C@H](O)CN1CC(=O)Nc1ccc(N)cc1 698157756 LGZKCZQDGQZCTP-GXTWGEPZSA-N 279.340 0.025 10 10 CCCE CN(C)c1ccc(CN[C@@H]2CCn3nnnc3C2)cc1 1875654802 RUNOYXOKJARXDO-GFCCVEGCSA-N 272.356 0.844 10 10 CCCE COC(=O)[C@H](N)CCNC(=O)Nc1ccc(N)cc1 1876171651 OBRNFADHZRPWAD-SNVBAGLBSA-N 266.301 0.281 10 10 CCCE CC(=O)C(=O)COC(=O)[C@H](O)[C@H](C)c1ccccc1F 870078037 ZNMGOHQRUKVFCM-AMIZOPFISA-N 282.267 0.991 10 10 CCCE O=C(CCn1cnccc1=O)N1Cc2cccc(O)c2C1 871204407 DLOLNIAZODOFDW-UHFFFAOYSA-N 285.303 0.881 10 10 CCCE C[C@H]1CNC[C@H](C)N1S(=O)(=O)Cc1ccc(N)cc1 1876531238 LNIDQIRINHHPTJ-QWRGUYRKSA-N 283.397 0.781 10 10 CCCE CNCc1nnc([C@H](N)c2cc(F)ccc2O)o1 83391300 OFWLHFKSRQBJCJ-SNVBAGLBSA-N 252.249 0.682 10 10 CCCE O=C(O)[C@H](O)C[C@H]1NCCc2cc(O)c(O)cc21 83724686 HLKWEBZKJPPCEZ-LDYMZIIASA-N 253.254 0.120 10 10 CCCE Oc1cc2c(cc1O)[C@@H]([C@@H]1C[C@@H](O)CN1)NCC2 83724037 TZOVDTVGOYKKRH-DVYJOKAKSA-N 250.298 0.007 10 10 CCCE NC(=O)NC1(C(=O)N2Cc3cccc(O)c3C2)CC1 1329603804 ZMLWBXSUQBRUAW-UHFFFAOYSA-N 261.281 0.435 10 10 CCCE NC(=O)C1CCC(NC(=O)c2cccc(O)c2O)CC1 716661647 ORGHODLWHYTJOV-UHFFFAOYSA-N 278.308 0.872 10 10 CCCE O=C1CC[C@H](C(=O)NCc2cccc(O)c2O)CN1 1348046036 HFIXHMGYBJYTES-VIFPVBQESA-N 264.281 0.240 10 10 CCCE CN(C)c1ccc([C@H](O)[C@]2(N)CCS(=O)(=O)C2)cc1 2115546023 FBLYEZDGYDWQEH-STQMWFEESA-N 284.381 0.302 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3CC(F)(CO)C3)c(Cl)cc21 2116283434 XIWFFARELXMSCA-SNVBAGLBSA-N 285.706 0.813 10 10 CCCE Nc1ccc(OCCC(=O)N2CC(F)(CO)C2)cc1 2116281140 LGSKCXKUYZSEIF-UHFFFAOYSA-N 268.288 0.581 10 10 CCCE CCN[C@H]1CC[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 2116677807 RYYHNLZLBRXDOG-QWRGUYRKSA-N 264.325 0.897 10 10 CCCE CN1CCN(c2ccc3c(c2)OCCO3)[C@H](CN)C1 216988208 PIFGRPQGHLLPOE-GFCCVEGCSA-N 263.341 0.537 10 10 CCCE C[C@]1(CO)C[C@@H](O)CN1C(=O)/C=C\c1ccc(O)c(O)c1 1453741799 GRNFKRCEKKWQBE-WXKYGPJESA-N 293.319 0.455 10 10 CCCE Nc1ccc(CS(=O)(=O)NC[C@@H]2[C@H]3CCO[C@@H]23)cc1 2119923641 IFUZFTRWUIZCOA-JHJVBQTASA-N 282.365 0.723 10 10 CCCE COC[C@H]1CCCN1NC(=O)Cc1ccc(O)c(O)c1 1557563869 ZISGWVMQLCEOCC-LLVKDONJSA-N 280.324 0.782 10 10 CCCE CN1C[C@H](CCNC(=O)Cc2ccc(O)c(O)c2)CC1=O 1558399197 TUWXPQRXLIQVCX-LLVKDONJSA-N 292.335 0.625 10 10 CCCE COCCN1C[C@@H](C(=O)N(C)CCCN=[N+]=[N-])CC1=O 1912196155 TUEDDTJRORVAFM-JTQLQIEISA-N 283.332 0.640 10 10 CCCE [N-]=[N+]=NCC1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 1912159994 PFRQBGZVAIRQMO-NXEZZACHSA-N 274.346 0.167 10 10 CCCE Cn1nnc(C(=O)N2CC(N=[N+]=[N-])C2)c1C(F)F 1912204293 AAPHDYFCSGYSNU-UHFFFAOYSA-N 257.204 0.887 10 10 CCCE COC[C@]1(CO)CCN(C(=O)c2ccc(C)c(O)c2O)C1 1640897278 ZNPVANGTXWWGJC-OAHLLOKOSA-N 295.335 0.877 10 10 CCCE CN1CCC[C@@H](C(=O)NCc2c(O)cccc2O)C1=O 1645363346 RKOUNDVCBLMWHY-VIFPVBQESA-N 278.308 0.582 10 10 CCCE O=C(/C=C/c1ccc(O)c(O)c1)NCc1nc(CO)n[nH]1 1641942002 ZUJJMPXYGSJXSU-DUXPYHPUSA-N 290.279 0.038 10 10 CCCE NCCNc1ccc(N)c2c1C(=O)c1ccncc1C2=O 1848436184 VLSXAGWBUIPTAT-UHFFFAOYSA-N 282.303 0.810 10 10 CCCE C[C@@H]1CN(C[C@@H](O)CO)c2cc3c(cc2N1)OCCO3 251929410 YPNRFRIDMUEYPN-NXEZZACHSA-N 280.324 0.431 10 10 CCCE CC(C)NC(=O)CN1CCN(c2ccc(N)cc2)CC1 19978033 WOEUHIXEDPSBSW-UHFFFAOYSA-N 276.384 0.915 10 10 CCCE N[C@H]1CCC12CN(C(=O)c1cc(O)c(O)c(O)c1)C2 2132399801 IDZFERCQMQSCPW-JTQLQIEISA-N 264.281 0.367 10 10 CCCE C[C@@H](CC(N)=S)N(C)C(=O)c1cc(O)c(O)c(O)c1 2132399698 HSCNGAYMASFFLU-LURJTMIESA-N 284.337 0.940 10 10 CCCE C[C@@]1(CO)CCN(C(=O)c2cc(O)c(O)c(O)c2)C1 2132348675 QIZOGTBBVDLHIA-CYBMUJFWSA-N 267.281 0.648 10 10 CCCE NC(=O)NCC1CN(c2c(F)cc(CO)cc2F)C1 2130743599 TXUKIYMADQMGKH-UHFFFAOYSA-N 271.267 0.562 10 10 CCCE O[C@H](CNCc1ccc2c(c1)CCO2)Cn1cccn1 818997047 QKBSTMDPHWHJQQ-CQSZACIVSA-N 273.336 0.969 10 10 CCCE C[C@H](C(=O)NC(N)=O)N1CCc2cc(CN)ccc21 2133391480 NEIRZEDFQJCZKS-MRVPVSSYSA-N 262.313 0.091 10 10 CCCE Nc1ccc(-n2nnc(C(=O)N3CCCC3)n2)cc1 1857879048 SLSNONKHUPQEDB-UHFFFAOYSA-N 258.285 0.481 10 10 CCCE CC1(C)CN(C(=O)Cc2ccc(O)c(O)c2)CCN1 1149327882 FKJOZMAWWPNKHO-UHFFFAOYSA-N 264.325 0.851 10 10 CCCE COc1cc(N2C[C@H](CO)[C@@H](CO)C2)ccc1CO 2139683664 ZJGYRTSCQIDAGB-VXGBXAGGSA-N 267.325 0.225 10 10 CCCE Cc1cccc(CNC(=O)[C@]2(C)CNCCO2)c1O 2139743724 NYFHQZGFTZMNOB-AWEZNQCLSA-N 264.325 0.695 10 10 CCCE COc1cc(N2CC[C@H](NC(N)=O)C2)ccc1CO 2139701440 VENZLZYSLMZLRM-JTQLQIEISA-N 265.313 0.435 10 10 CCCE O=C(C1CC1)N1CC(NCc2ccc(O)cc2O)C1 1926325557 UJQPOCYYUYEIFC-UHFFFAOYSA-N 262.309 0.808 10 10 CCCE COC[C@H](O)CCNC(=O)COc1ccc(N)cc1 230109018 IBOXGDAJTKVCNT-LLVKDONJSA-N 268.313 0.161 10 10 CCCE Cn1nccc1CCNS(=O)(=O)Cc1ccc(N)cc1 230768281 AWLSVPUAGKZBTN-UHFFFAOYSA-N 294.380 0.664 10 10 CCCE CO[C@@]1(CNC(=O)c2ccc(O)c(O)c2)CCOC1 231221635 ROBOSQHRKIHCKH-CYBMUJFWSA-N 267.281 0.633 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CSCN1 1968739750 VZPARXDJHYDUPM-VIFPVBQESA-N 268.338 0.419 10 10 CCCE CS[C@@H](C)[C@H](N)C(=O)NCCc1ccc(O)c(O)c1 2142098048 MXCIEQVMPUSLIR-UFBFGSQYSA-N 284.381 0.835 10 10 CCCE OCC(CO)(CO)NCc1ccc(N2CCCC2)cc1 236498229 UEDFJASZLBOCIL-UHFFFAOYSA-N 280.368 0.092 10 10 CCCE Cc1nsc(NC(=O)[C@@H](N)Cc2ccc(O)c(O)c2)n1 129007193 YFTRTKYZPZFLEX-QMMMGPOBSA-N 294.336 0.766 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1CC[C@@H]2C[C@H]21 2144545595 DTNMOWAASYCODX-WISYIIOYSA-N 276.336 0.882 10 10 CCCE O=[N+]([O-])c1cc(CN2CCNCC2)c(O)cc1F 258519427 YYGMVFLGBHFZKF-UHFFFAOYSA-N 255.249 0.845 10 10 CCCE [N-]=[N+]=N[C@@H]1CCCN(S(=O)(=O)C2CC(=O)C2)C1 2005392475 GIYBXEYOTVTYGD-SSDOTTSWSA-N 258.303 0.822 10 10 CCCE COc1ccc(N2C[C@H]3C[C@@]2(CO)CO3)c([N+](=O)[O-])c1 2151003089 GQLXQPXPNDMXDC-ZWNOBZJWSA-N 280.280 0.943 10 10 CCCE CC(=O)N[C@H]1CCCN(C(=O)Cc2ccc(N)cc2)C1 37815211 YCYYFROXJHGJGZ-AWEZNQCLSA-N 275.352 0.938 10 10 CCCE [N-]=[N+]=N[C@H]1CCCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 2155556486 DFJZRWVRCSTQKU-YUMQZZPRSA-N 280.288 0.276 10 10 CCCE CN(C)C[C@H]1CCN1C[C@H](O)COc1ccc(N)cc1 2160881693 GZRKRNMWRZLZBO-KGLIPLIRSA-N 279.384 0.644 10 10 CCCE C[C@H](NC[C@H]1COC[C@H]1O)c1c(O)cccc1O 2036566859 CJYAHVGQFROYTP-HOTUBEGUSA-N 253.298 0.756 10 10 CCCE C[C@H]1CN(C(=O)c2cccc(O)c2O)[C@H]1C(=O)O 2038182116 UUSNQTYGNQUOQM-IMTBSYHQSA-N 251.238 0.643 10 10 CCCE C[C@H](O)c1ccc(N2CC[C@@H]3C(=O)NC(=O)[C@H]3C2)cc1 2158789426 LMYGJNANRNSJRZ-XDTLVQLUSA-N 274.320 0.839 10 10 CCCE COCCOCCN(C)c1ccc2c(c1)NC(=O)[C@H]2N 313325664 KLWLNOUZPOGPGH-ZDUSSCGKSA-N 279.340 0.738 10 10 CCCE CN1CCOC[C@@H]1CNCc1cccc(O)c1O 700144507 TWJXNIMSULAAPD-NSHDSACASA-N 252.314 0.518 10 10 CCCE COc1ccc(O)c([C@H](C)N2CCNC[C@@H]2C(=O)O)c1 88658362 INLIGXXUERLCLS-JOYOIKCWSA-N 280.324 0.820 10 10 CCCE Nc1ccc(OCc2cn([C@H]3COC[C@@H]3O)nn2)cc1 2179341852 UKLMXYFPJVNEMS-STQMWFEESA-N 276.296 0.372 10 10 CCCE Nc1ccc(CC(=O)N2C[C@@H]3C[C@@H](C(=O)O)[C@@H]3C2)cc1 2174315786 KOJYNQRXQHYEEZ-CYZMBNFOSA-N 274.320 0.990 10 10 CCCE [N-]=[N+]=NCC1CCN(C(=O)[C@@H]2[C@@H]3CS(=O)(=O)C[C@@H]32)CC1 2174576003 JIYBGPBIKZBFIR-JGPRNRPPSA-N 298.368 0.826 10 10 CCCE CCN(C(=O)C1[C@H]2CS(=O)(=O)C[C@H]12)c1ccc(N)cc1 2174575502 GMHNUNXQXRYBEG-RYUDHWBXSA-N 294.376 0.912 10 10 CCCE CO[C@H]1CS(=O)(=O)C[C@H]1N(C)c1ccc(CN)cc1C 711284890 KJGMQAAFQVKEKA-KGLIPLIRSA-N 298.408 0.702 10 10 CCCE CCNCc1ccc(N2CCN(C)[C@H](CO)C2)cc1 687612270 LOYBGZPBTWIMFO-HNNXBMFYSA-N 263.385 0.909 10 10 CCCE CN(C[C@H](O)CN1CCOCC1)c1ccc(CN)cc1 380759946 XJAZQBKMEPUBPD-HNNXBMFYSA-N 279.384 0.275 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CCC[C@H]2CNCC[C@H]21 714978291 GAJSHIOJSLEGGB-GXSJLCMTSA-N 277.324 0.707 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CCC[C@H]2CNCC[C@@H]21 714978301 GAJSHIOJSLEGGB-ONGXEEELSA-N 277.324 0.707 10 10 CCCE CO[C@H]1CS(=O)(=O)C[C@H]1N(C)c1ccc([C@@H](C)N)cc1 696862014 VAUGUXZIUIMKBD-HONMWMINSA-N 298.408 0.955 10 10 CCCE C[C@@H](NC(=O)Cc1ccc(N)cc1)c1cn(C)nn1 720523518 OZENBFXONLHLHJ-SECBINFHSA-N 259.313 0.817 10 10 CCCE NCCN1CCC[C@H](NC(=O)c2ccc(O)c(O)c2)C1 394948841 GNZZXVQDKSQGIO-NSHDSACASA-N 279.340 0.251 10 10 CCCE Nc1ccc(NC(=O)CN2[C@H]3CC[C@H]2C(=O)NC3)cc1 2172388740 FSZGMNRBNLLMPR-RYUDHWBXSA-N 274.324 0.170 10 10 CCCE Nc1ccc(OCC(=O)N2CCC3(CC2)CNC3)cc1 2191713731 GYMKZZHCYRDWIM-UHFFFAOYSA-N 275.352 0.860 10 10 CCCE Nc1ccc(CCC(=O)N[C@]2(CO)CCCNC2)cc1 2191897435 ONYTVVXQVPKNNI-OAHLLOKOSA-N 277.368 0.432 10 10 CCCE NC(=O)N1C[C@H]2C[C@H]1CN2C(=O)Nc1ccc(N)cc1 2192285298 CVIQDJJAKZGVTG-WDEREUQCSA-N 275.312 0.638 10 10 CCCE COC(=O)[C@@H](NCCN=[N+]=[N-])[C@H]1C[C@H]2CC[C@H]1O2 2049160520 VQFXAUNMKBAEKO-RGOKHQFPSA-N 254.290 0.995 10 10 CCCE C[C@@]1(C(=O)N2CCC[C@H]2CN=[N+]=[N-])CNC(=O)C1 2052278754 DUEGIVNGLVPCPI-KWQFWETISA-N 251.290 0.814 10 10 CCCE C[C@@H](c1ccccc1O)N(C)C(=O)C(=O)NCC(N)=S 2192594175 NZRNSZSLWRKPLI-QMMMGPOBSA-N 295.364 0.314 10 10 CCCE Cn1cnc(Cl)c1[C@@H](NCCCN=[N+]=[N-])C(N)=O 2054892332 KRVBRGRGYYIZIG-ZCFIWIBFSA-N 271.712 0.890 10 10 CCCE COc1cccc(O)c1CNCC1(S(N)(=O)=O)CC1 2104441362 ZPECDHCZEBNGGZ-UHFFFAOYSA-N 286.353 0.312 10 10 CCCE CN1CCc2cc(CNCC[C@@H](O)CO)ccc21 2061852433 JUCUFZHNYIQXSR-CYBMUJFWSA-N 250.342 0.512 10 10 CCCE O=C1NCCN(c2ccc(CO)cc2[N+](=O)[O-])C12CC2 2188545058 IMFWTOJZGZBNAU-UHFFFAOYSA-N 277.280 0.556 10 10 CCCE O=C(NC[C@@H](CO)C1CCC1)c1cc(O)c(O)c(O)c1 2188867633 DNTOXRYRNNLTAB-JTQLQIEISA-N 281.308 0.942 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@H]2OCCO[C@@H]2C1 2188927526 FONRXEIQHGPHNZ-GHMZBOCLSA-N 281.264 0.043 10 10 CCCE O=C(NC[C@H]1C[C@H](CO)CO1)c1ccc(O)c(O)c1 2101331876 OBLQLSIGRBDXIX-PSASIEDQSA-N 267.281 0.225 10 10 CCCE CS(=O)(=O)[C@H]1COC[C@@H]1Nc1c(N)cccc1F 2086310214 PFRWDLWLTYZBIK-UWVGGRQHSA-N 274.317 0.632 10 10 CCCE C[C@@H](O)c1ccc(N2C[C@H](N(C)C)[C@H](O)C2)c(F)c1 2089923934 RTSVPFZWFSSNKQ-BIGNPOOSSA-N 268.332 0.990 10 10 CCCE Nc1cc2c(cc1N1C[C@H]3C(CO)[C@@H]3C1)OCCO2 2090738094 AEXHXJHWVCQUCH-RKDXNWHRSA-N 262.309 0.715 10 10 CCCE N[C@H]1C=C[C@H](C(=O)NCCc2ccc(O)c(O)c2)C1 2091746716 GNYZECNVTFBEFE-QWRGUYRKSA-N 262.309 0.660 10 10 CCCE CNCC[C@@H](C)NC(=O)c1cc(OC)nc(OC)c1 2111831382 AVWXFBJNZQYIKQ-SECBINFHSA-N 267.329 0.827 10 10 CCCE COC[C@@H](N)CC(=O)NCCc1ccc(O)c(O)c1 2092797979 XPQBLZMXRGLIAU-JTQLQIEISA-N 268.313 0.120 10 10 CCCE NC[C@@H]1CC[S@@](=O)(=NC(=O)c2cccc(O)c2O)C1 2098331743 WEWDGKIUEYWLHF-RLBGWGEZSA-N 284.337 0.685 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CC[C@]2(C[C@@H](O)CO2)C1 2201754500 KGKMRAAONDQNSF-YGRLFVJLSA-N 279.292 0.464 10 10 CCCE COc1cccc(CN2CC[C@H](N)[C@@H](CO)C2)c1O 2122389227 CSXHYPMOCVZMLU-NEPJUHHUSA-N 266.341 0.542 10 10 CCCE COc1ccc(N2C[C@@H](O)[C@H](CO)C2)cc1OC 2219640180 DFDZDHMOUQFSLD-GXSJLCMTSA-N 253.298 0.493 10 10 CCCE COC[C@@H]1[C@@H](O)[C@H](O)CN1c1ccc(OC)cc1C=O 2235986970 OHVODEAHSHLTQJ-MGPQQGTHSA-N 281.308 0.065 10 10 CCCE COc1ccc(N2C[C@@]3(CO)C[C@]3(CO)C2)c(CN)c1 2235973869 UZITZVYMMXZBFB-HUUCEWRRSA-N 278.352 0.335 10 10 CCCE COc1ccc(N2CCOC[C@@H]2[C@@H](O)CO)c(C)c1 2226748464 NONSDKVZUYEIBI-KGLIPLIRSA-N 267.325 0.562 10 10 CCCE Nc1ccc(CCN2C[C@H]3C[C@H](O)[C@@H](O)C[C@H]3C2)cc1 2236973284 NCQCGYWBUIDJEE-XRGAULLZSA-N 276.380 0.875 10 10 CCCE COc1ccc(N2CCn3nncc3C2)c(CN)c1 2227674450 WFUVWWVMBQJNJZ-UHFFFAOYSA-N 259.313 0.766 10 10 CCCE COC(=O)N[C@@H](C)CNCc1ccc(O)c(O)c1 2261469163 JUMNOAKCQYGBJS-QMMMGPOBSA-N 254.286 0.932 10 10 CCCE Cc1cc(N2C[C@@H]3OC[C@@H](CO)O[C@@H]3C2)ccc1CN 2279776958 YRZOQKXKUVROJZ-QLFBSQMISA-N 278.352 0.419 10 10 CCCE COc1cc(C)c(N2CC3(C2)OC[C@H](O)[C@H]3O)c(C)c1 2285070733 SRJDOKACAQHRSF-GXTWGEPZSA-N 279.336 0.623 10 10 CCCE NCc1ccc(N2CC(O)(C(F)(F)CO)C2)c(F)c1F 2288476343 DJBGKZPRBINMHL-UHFFFAOYSA-N 294.248 0.602 10 10 CCCE O=C(N[C@H]1C[C@@]2(C(=O)O)C[C@@H]12)c1cc(O)nc(O)c1 2329365035 WLPRBEWQLFOAKC-WSFZALMZSA-N 264.237 0.086 10 10 CCCE N[C@@H]1C[C@H]2C[C@@H]1CN(C(=O)c1cccc(O)c1O)C2 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CC[C@@H]1C(=O)NC(=O)CN1c1ccc([C@@H](C)NC)c(O)c1 93671967 GPKFLOOQJCJESG-BXKDBHETSA-N 291.351 0.914 10 10 CCCE CCOc1cc(CNC)ccc1N1CCN(CCO)CC1 211887713 OJJLGXBOHIRSQR-UHFFFAOYSA-N 293.411 0.919 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1[C@H](CO)C[C@H]2CCC[C@@H]21 2164649106 RPBBKCIIJFOABC-MIMYLULJSA-N 278.308 0.868 10 10 CCCE CN(C(=O)CN1CCN(C=O)CC1)c1ccc(N)cc1 2162930652 FYVSMSVIVRRSCY-UHFFFAOYSA-N 276.340 0.006 10 10 CCCE C[C@H](O)[C@@H](N)CNC(=O)/C=C\c1ccc(N(C)C)cc1 706104654 ZLHOASXBBUYMFL-SGJSMBNBSA-N 277.368 0.590 10 10 CCCE Nc1ccc(CS(=O)(=O)NCCC2(CO)CC2)cc1 395786964 ASXNFLMOGAWXJV-UHFFFAOYSA-N 284.381 0.851 10 10 CCCE Nc1ccc(CC(=O)NCC2(S(N)(=O)=O)CCC2)cc1 721524959 USDJCVRAMCZKJF-UHFFFAOYSA-N 297.380 0.139 10 10 CCCE O=C(/C=C\c1ccc(O)c(O)c1)NCC(=O)NCC1CC1 588407309 RVODWDAQHVQREV-XQRVVYSFSA-N 290.319 0.753 10 10 CCCE Nc1ccc(CN2C[C@H]3CCO[C@@]3(C(=O)O)C2)cc1 1891831157 NZNGCHCILTWRCS-RISCZKNCSA-N 262.309 0.944 10 10 CCCE COc1ccc(N2CC[C@@H](N[C@@H]3CNCCOC3)C2)cc1 925711909 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O=C(CN1C[C@@H]2C[C@H]2[C@H]1CO)c1ccc(O)c(O)c1 1905554751 DXXFOTZVNFWVHV-HBNTYKKESA-N 263.293 0.593 10 10 CCCE CC[C@H]1CC(=O)CN1C(=O)c1cc(O)c(O)c(O)c1 2132411083 SATXZRQARIWCBT-QMMMGPOBSA-N 265.265 0.997 10 10 CCCE NCC1(F)CC(NC(=O)c2cc(O)c(O)c(O)c2)C1 2132407312 OITMCPTZOOWQNO-UHFFFAOYSA-N 270.260 0.363 10 10 CCCE C[C@H](NC(=O)C=Cc1ccc(N(C)C)cc1)[C@@H](O)CO 1911970692 BXOJQUNHHMZYFP-FZMZJTMJSA-N 278.352 0.624 10 10 CCCE [N-]=[N+]=NC1CN(CC(=O)Nc2sccc2C(N)=O)C1 1912155154 KDMIUFNDMGWZDI-UHFFFAOYSA-N 280.313 0.780 10 10 CCCE Cc1cc(CS(=O)(=O)N2CC(N=[N+]=[N-])C2)no1 1912173200 ZXLLENXRFJWAQI-UHFFFAOYSA-N 257.275 0.807 10 10 CCCE COc1ccc(CNC(=O)c2cc(C=O)n(C)n2)c(O)c1 1448378429 DDWLSFADVMRHTH-UHFFFAOYSA-N 289.291 0.877 10 10 CCCE CCOC(=O)CC(C)(C)CC(=O)C(=O)CCNC(N)=O 1297562338 HWZJTCCPDIAYPA-UHFFFAOYSA-N 286.328 0.553 10 10 CCCE CN(CC1(CO)CC1)c1ccc2c(c1)NC(=O)[C@@H]2O 1915531141 IXKIGJGJCAPCEV-GFCCVEGCSA-N 262.309 0.881 10 10 CCCE Cc1noc(C2CN(C(=O)Cc3ccc(O)c(O)c3)C2)n1 1623359688 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C[S@@](=O)CCOC(=O)c1ccn(-c2ccc(N)cc2)n1 400663517 ZAOPPKQUBBVKAJ-HXUWFJFHSA-N 293.348 0.990 10 10 CCCE O=C(N[C@H]1CCNC12CCCC2)c1cc(O)nc(O)c1 401422084 MTJQQRSVZHGYEN-JTQLQIEISA-N 277.324 0.897 10 10 CCCE NC[C@@H](NC(=O)c1cccc(O)c1O)C(F)(F)F 401775303 MIQONXVADQRCAF-SSDOTTSWSA-N 264.203 0.717 10 10 CCCE COc1ccc(N2CC[C@H]3C(=O)NC(=O)[C@H]3C2)c(N)c1 2158789042 HISGEBRPQZYMHM-ZJUUUORDSA-N 275.308 0.376 10 10 CCCE CNCc1ccc(N2CCC[C@](O)(C(N)=O)C2)c(F)c1 312676590 OIRYAVNIRISJFN-CQSZACIVSA-N 281.331 0.362 10 10 CCCE COc1cc(N(C)C(CO)CO)c([N+](=O)[O-])cc1OC 313275538 BVGUPUOGSZBLAN-UHFFFAOYSA-N 286.284 0.401 10 10 CCCE Nc1ccc(CCC(=O)N2C[C@@H](O)[C@H](CO)C2)cc1 316311946 BAXPXPCVSOGIBO-WCQYABFASA-N 264.325 0.013 10 10 CCCE CN(C[C@@H](N)C1CC1)C(=O)c1ccc(O)c(O)c1 690128941 IKORTLSFXNKJKL-SNVBAGLBSA-N 250.298 0.907 10 10 CCCE CN(C)c1ccc(CNS(=O)(=O)CCN)cc1 722230281 KFLXPHUEGPSVAE-UHFFFAOYSA-N 257.359 0.131 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1C[C@@H]2C[C@H](C[C@H]2O)C1 2163568518 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CCCE COC(=O)[C@@H](O)CN1CCc2cc(OC)c(OC)cc21 2195427526 GCIRCVGMNYTXMP-NSHDSACASA-N 281.308 0.600 10 10 CCCE CNC(=O)C(C)(C)CNC(=O)c1cc(O)c(O)c(O)c1 2188868659 VBBGSNJSXANRPV-UHFFFAOYSA-N 282.296 0.305 10 10 CCCE NCc1ccc(NC(=O)c2cc(O)c(O)c(O)c2)nc1 2188926914 BUIVLQDXLZLUHR-UHFFFAOYSA-N 275.264 0.909 10 10 CCCE CCCN1C[C@H](O)[C@@H](N2CCc3cc(CN)ccc32)C1 2189919051 XYTRDPJKNJUVCY-HOTGVXAUSA-N 275.396 0.963 10 10 CCCE Cc1cccc(O)c1[C@@H](NCCN(C)C)C(N)=O 2042604538 CUQBIVYTSMHUKO-GFCCVEGCSA-N 251.330 0.378 10 10 CCCE NCc1ccc(N2CC[C@H](OCCO)C2)c(F)c1 2046760782 KCKUJMVEADHVDY-NSHDSACASA-N 254.305 0.872 10 10 CCCE [N-]=[N+]=NCCCCN1CCN2C(=O)NC(=O)[C@@H]2C1 2051557643 ZHDSLJKLAIIJIV-QMMMGPOBSA-N 252.278 0.313 10 10 CCCE NC(=O)NCC1CN(c2ccc(CO)cc2Cl)C1 2067125665 QOTXIKBKXCATDP-UHFFFAOYSA-N 269.732 0.937 10 10 CCCE CN(C[C@@H]1CNCCO1)C(=O)COc1ccc(N)cc1 2191713402 CJWVCTDGEDYRRW-ZDUSSCGKSA-N 279.340 0.094 10 10 CCCE CC1(C)CN[C@H](CNC(=O)Cc2ccc(N)cc2)CO1 2194714609 OKYSPBZQOCTCHC-CYBMUJFWSA-N 277.368 0.695 10 10 CCCE C[C@H](NC(=O)[C@@H]1COC[C@@H]1N)c1ccccc1O 2072488449 AHJKNJCHOGHRBL-GDPRMGEGSA-N 250.298 0.543 10 10 CCCE C[C@H](c1ccc(F)cc1O)N(CCO)CC(=O)O 2081029335 APOLEFGGKCHWBY-MRVPVSSYSA-N 257.261 0.971 10 10 CCCE COC[C@@](O)(CO)CN[C@@H](C)c1ccc(C)cc1O 2102399212 LJJRPAMRNAHVQV-FZMZJTMJSA-N 269.341 0.721 10 10 CCCE Nc1ccc(CC(=O)NC[C@@H]2CCC(=O)NC2)cc1 2103041023 JTXNCBKXCGEWMK-LLVKDONJSA-N 261.325 0.454 10 10 CCCE CC1(C)[C@@H](NC(=O)c2ccc(O)c(O)c2)[C@H]1C(=O)O 2104626814 YXAVTJUMIZDJGF-UWVGGRQHSA-N 265.265 0.937 10 10 CCCE c1nnn(CCNCc2ccc3c(c2)CCCO3)n1 2087531113 SQQLGGUOHGGKEF-UHFFFAOYSA-N 259.313 0.788 10 10 CCCE CCOC(=O)c1cccc(N)c1N[C@@H]1COC[C@H]1O 2108739902 QJBYKOLAOQJURZ-GHMZBOCLSA-N 266.297 0.617 10 10 CCCE N[C@H]1CCOC[C@@H]1CC(=O)NCc1ccccc1O 2088971043 RDJWSCQOULPFDX-RYUDHWBXSA-N 264.325 0.762 10 10 CCCE NC(=O)c1cccc(N)c1N[C@@H]1CC[C@H](C(N)=O)C1 2089990777 OWFYCYRKKXXUTB-JGVFFNPUSA-N 262.313 0.434 10 10 CCCE Nc1ccc(OCCNC(=O)Cn2cnnc2)cc1 2090282530 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COc1ccc(N2CC(=O)N(C)[C@H](C)C2)c(CN)c1 2227678746 ZORKBPAGOZHNTO-SNVBAGLBSA-N 263.341 0.821 10 10 CCCE CN(C)c1ccc(OC[C@@H](NC2CC2)C(N)=O)cc1 2229368775 DPGGSQQBOMYVLC-CYBMUJFWSA-N 263.341 0.737 10 10 CCCE Nc1ccc(O)c(CN2CC[C@@H](O)[C@H](O)CC2)c1 2256975326 DESJELSPVGXWQI-CHWSQXEVSA-N 252.314 0.292 10 10 CCCE COc1cc(C)c(N2CC(O)(C(N)=O)C2)c(C)c1 2257415291 KCIPTDOCRKJHKO-UHFFFAOYSA-N 250.298 0.348 10 10 CCCE CNC(=O)NC(=O)[C@@H](C)N(C)c1ccc(OC)cc1 2264362060 JYIBSLYGAALWDF-SECBINFHSA-N 265.313 0.976 10 10 CCCE Cc1cc(N2CC[C@](O)(C(N)=O)C2)ccc1[C@H](C)N 2269665629 IUHQZDHLPALFNY-IINYFYTJSA-N 263.341 0.441 10 10 CCCE COc1ccc(CN2C[C@@H](C)OC3(CNC3)C2)c(O)c1 2288476298 CLABSOLNXNLELW-LLVKDONJSA-N 278.352 0.964 10 10 CCCE C[C@H](N)c1ccc(N2C[C@@H]3C[C@H]2[C@H](O)[C@H]3O)c(F)c1 2329329163 RUGMTPBIQKQIKQ-YYCCRBMRSA-N 266.316 0.776 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@H]2C[C@H]2[C@@H]1CO 2332563728 UDSCTANKDYIFLX-HLTSFMKQSA-N 265.265 0.256 10 10 CCCE CN1CC(COCC(=O)N(C)c2ccc(N)cc2)C1 2335349342 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CCCE O=C(Cc1cc(O)nc(O)n1)NCc1ccccc1O 701135452 AYFWRKORPCCFOR-UHFFFAOYSA-N 275.264 0.452 10 10 CCCE O=C(N[C@@]12CCC[C@H]1CNC2)c1ccc(O)c(O)c1 711289854 BDBVYYOTOMLNQY-IINYFYTJSA-N 262.309 0.970 10 10 CCCE COCCNC(=O)CN1CCC[C@H](CN=[N+]=[N-])C1 1912158711 ZAOQXRRJGYIUPL-SNVBAGLBSA-N 255.322 0.771 10 10 CCCE CC(C)(O)CONC(=O)c1c(F)ccc(O)c1O 1183358937 JPRJTEOQWFGXIG-UHFFFAOYSA-N 259.233 0.669 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCN1CC(=O)NCCCC(=O)O 2123014973 IWGAJWXZEKIGDP-VIFPVBQESA-N 269.305 0.742 10 10 CCCE C[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1)c1ccccc1O 1348777578 VKEILDORCGALIB-JQWIXIFHSA-N 291.351 0.438 10 10 CCCE C[C@@H]1C(=O)NC(=O)CN1c1ccc2c(c1)CC[C@H]2O 2128316345 DIAUCMRAARHDCJ-PRHODGIISA-N 260.293 0.518 10 10 CCCE CN(c1ccc2c(c1)CC[C@H]2O)[C@@H]1CC(=O)NC1=O 2128319570 UUHMUZFSJZWJHS-VXGBXAGGSA-N 260.293 0.518 10 10 CCCE CCCN[C@H](C)CNC(=O)c1cc(O)c(O)c(O)c1 2132403995 OINBSCQVNQKMLN-MRVPVSSYSA-N 268.313 0.921 10 10 CCCE CS(=O)(=O)c1ccc(O)c([C@H](N)CC(=O)O)c1 213299323 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COc1ccc(O)c(CNc2nc[nH]c2C(N)=O)c1 106277633 MKFRGPCQZBZKMQ-UHFFFAOYSA-N 262.269 0.835 10 10 CCCE C[C@H]1CN(c2ccc3c(c2)OCO3)C[C@@H](CO)N1C 251616254 HGRBAHSDRXQXSM-JQWIXIFHSA-N 264.325 0.917 10 10 CCCE CN(C)c1ccc([C@@H](C(N)=S)N2CCNCC2)cc1 19935629 SPQUWYPYOJXDCG-ZDUSSCGKSA-N 278.425 0.985 10 10 CCCE Cc1cccc(CNC(=O)[C@H]2COCC[C@@H]2N)c1O 2139751394 RZNLGHYIOXMTLK-RYUDHWBXSA-N 264.325 0.681 10 10 CCCE COCCN(CCC(N)=S)C(=O)c1cccc(O)c1O 126156695 IVOQXLFEONHOIF-UHFFFAOYSA-N 298.364 0.863 10 10 CCCE C[C@@H]1CCCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1C(=O)O 235391177 BSEIWPBLNVBRCQ-HQJQHLMTSA-N 280.280 0.818 10 10 CCCE Nc1ccc(NC(=O)N2CCN[C@@H](CCO)C2)cc1 1876160884 BHWGIUVUTDCIQL-LBPRGKRZSA-N 264.329 0.457 10 10 CCCE Nc1ncccc1S(=O)(=O)NCc1ccccc1O 1876471316 LVRQNYKHNCCSIM-UHFFFAOYSA-N 279.321 0.848 10 10 CCCE C[C@H]1CCCN(C(=O)c2cc(O)nc(O)c2)[C@H]1C(=O)O 235617491 BSEIWPBLNVBRCQ-WRWORJQWSA-N 280.280 0.818 10 10 CCCE CN(C)c1ccc(CN2CCN(CCN)CC2)cc1 1964644310 ZNQNILVTIMMJCB-UHFFFAOYSA-N 262.401 0.829 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@H]2CC[C@@H](C1)N2 1970927774 KLYLUVULFCVPHM-NEPJUHHUSA-N 276.336 0.993 10 10 CCCE CNCC[S@](C)(=O)=NC(=O)Cc1ccc(N)cc1 1973691492 VBWOLWWJPGRJIL-SFHVURJKSA-N 269.370 0.655 10 10 CCCE C[S@](=O)C1CN(C(=O)c2cccc(O)c2O)C1 2004523252 PNHHQMZCLJMQIA-KRWDZBQOSA-N 255.295 0.301 10 10 CCCE COc1cccc(CN[C@@H]2C[C@H]3C[C@H]2[C@@H](O)[C@@H]3O)c1O 1974121781 JMTILFLSCBTPLT-KAILVDNBSA-N 279.336 0.621 10 10 CCCE O=C(NC[C@@H]1CCCCNC1=O)c1ccc(O)c(O)c1 2144022779 GJPGVBSHBDVWEX-JTQLQIEISA-N 278.308 0.744 10 10 CCCE COCCNCc1ccc(N2CC[C@@H]2C(N)=O)cc1C 2145603111 FCELQDWOGDLALK-CQSZACIVSA-N 277.368 0.795 10 10 CCCE CN(C)c1ccc(C=CC(=O)N[C@@H]2CONC2=O)cc1 2148977971 PNIUSXCIGSOJEG-GFCCVEGCSA-N 275.308 0.312 10 10 CCCE Nc1ccc(OCC(=O)OC[C@H]2CCCC(=O)N2)cc1 2145917118 DOBSAZZBOUTVAT-LLVKDONJSA-N 278.308 0.860 10 10 CCCE C[C@@H]1CN(C(=O)[C@@H](N)Cc2ccc(O)c(O)c2)CCO1 40457873 IEBCIESJYAPWFX-KOLCDFICSA-N 280.324 0.215 10 10 CCCE O=C1Nc2cc(N3CC(N4CCCC4)C3)ccc2[C@H]1O 700489791 WEOIXZJHMYLGBW-CQSZACIVSA-N 273.336 0.957 10 10 CCCE O=C(CNCc1ccc(F)cc1O)N1CCOCC1 293555400 HLQPYDMMAXVDHK-UHFFFAOYSA-N 268.288 0.480 10 10 CCCE C[C@@H](C(=O)Nc1ccc(N)cc1)N1CC(OCCO)C1 2152288425 BXVROXBJJMYRRR-JTQLQIEISA-N 279.340 0.289 10 10 CCCE CN1CCOC[C@@H]1C(=O)N1CCC[C@H]1CN=[N+]=[N-] 2038242240 BBUJSDAFPJHYOS-VHSXEESVSA-N 253.306 0.618 10 10 CCCE CN(CCCN=[N+]=[N-])C(=O)[C@@H]1CO[C@H]2COC[C@H]12 2040334391 NBPICKYNFJKAOS-BBBLOLIVSA-N 254.290 0.807 10 10 CCCE NCc1ccc(N2C[C@H](O)[C@@H]3COC[C@H]32)c(Cl)c1 2040596977 BSHCXSXMIOEQOX-WQAKAFBOSA-N 268.744 0.995 10 10 CCCE COc1ccc(N2CCN(C[C@](C)(N)CO)CC2)cc1 70339721 FMKPOEYAYUYECY-HNNXBMFYSA-N 279.384 0.527 10 10 CCCE C[C@H]1CN(C)C[C@H](CNCc2ccc(O)cc2O)O1 700332225 OBDRJDYMEROTLN-GWCFXTLKSA-N 266.341 0.907 10 10 CCCE COc1cc(N)c(N(CCO)CCN(C)C)cc1OC 2155579031 XPBLYIPPEHTFOK-UHFFFAOYSA-N 283.372 0.646 10 10 CCCE CC[C@H]1NC(=O)CN(Cc2ccc(N(C)C)cc2)C1=O 2160462089 CNUGPTYDVDXELI-CYBMUJFWSA-N 275.352 0.990 10 10 CCCE O=C(O)[C@@H]1CO[C@@H]2CN(Cc3ccc(O)c(O)c3)C[C@@H]21 2160859919 RWJNXXVBLHUZNE-GIPNMCIBSA-N 279.292 0.629 10 10 CCCE O=S(=O)(Nc1ccc(O)c(F)c1)[C@@H]1CCNC1 687253218 MXUWBBKQWBYUQB-MRVPVSSYSA-N 260.290 0.635 10 10 CCCE COC[C@H]1CN(CC(=O)Nc2ccc(N)cc2)CCO1 705850072 GHBYCRLIWWIHLY-CYBMUJFWSA-N 279.340 0.555 10 10 CCCE COc1ccc(CNC2COCCOC2)c(O)c1 381337061 JNXJVMRRAAXQBJ-UHFFFAOYSA-N 253.298 0.906 10 10 CCCE CN[C@H](C)c1ccc(N2C[C@H](O)C[C@@]2(C)CO)cc1O 698146797 JDCMLDGROSCEES-HCKVZZMMSA-N 280.368 0.995 10 10 CCCE CC[C@H](O)[C@@H](C)NS(=O)(=O)Cc1ccc(N)cc1 387342651 FJHBCVSVZCZYHN-SKDRFNHKSA-N 272.370 0.848 10 10 CCCE C[C@@H](N)c1ccc(N2CC[C@@H](C(CO)CO)C2)cc1O 2170675089 YRUJOVATFXRFEV-GHMZBOCLSA-N 280.368 0.839 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N3CC(N(C)C)C3)cc21 394452660 MLZDHKUUCCEMQG-ZDUSSCGKSA-N 260.341 0.413 10 10 CCCE CN(CC(=O)Nc1ccc(N)cc1)Cc1cnn(C)n1 2172413922 BXVKXOPASYKVPY-UHFFFAOYSA-N 274.328 0.468 10 10 CCCE CN1CCN(c2ccc3c(c2)NC(=O)[C@@H]3O)[C@@H]2CC[C@@H]21 2168386300 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CCCE CCOc1cccc(CN[C@@H]2C[C@H](O)C[C@H]2O)c1O 2108797669 QFQVEEAMZUYYHV-QJPTWQEYSA-N 267.325 0.765 10 10 CCCE Oc1ccc(CN[C@@H]2C[C@H]3C[C@H]2[C@H](O)[C@@H]3O)cc1O 2110104969 GBAMWRFQKPXFCB-BEDWUZKKSA-N 265.309 0.318 10 10 CCCE O=C1CN(C(=O)c2cccc(O)c2O)[C@@H]2CC[C@@H]2N1 2112063724 YLKOZXPBHCYWDM-DTWKUNHWSA-N 262.265 0.201 10 10 CCCE O=C(O)[C@@H]1C[C@@H](F)CN1C(=O)c1cccc(O)c1O 2095589078 NVXXNRFNJNNWCW-SVRRBLITSA-N 269.228 0.735 10 10 CCCE Cc1cc(N2C[C@@H]3OC[C@H](CO)[C@@H]3C2)ccc1CN 2121595496 WRAXLOMEBWCSGQ-QEJZJMRPSA-N 262.353 0.897 10 10 CCCE CCS(=O)(=O)CNC(=O)Oc1ccc(N)cc1 2213410580 FOOSOQPDYXDMAH-UHFFFAOYSA-N 258.299 0.749 10 10 CCCE O=C(N[C@@H]1CNC[C@@H](F)C1)c1cccc(O)c1O 2219138249 HZTTXEYCGFHZAD-YUMQZZPRSA-N 254.261 0.528 10 10 CCCE COC[C@H](N)[C@@H](CO)Oc1ccc(N(C)C)cc1 2221883028 LWUAPEFHHNRQNO-QWHCGFSZSA-N 254.330 0.466 10 10 CCCE O=C1Nc2cc(N3C[C@@H](O)C[C@@H](F)C3)c(F)cc2[C@@H]1O 2234661452 XAFFAOCHMBYEEV-LTMDPNIMSA-N 284.262 0.720 10 10 CCCE CN1CCN(c2ccc3c(c2)OCCCO3)C[C@H]1CO 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10 10 CCCE Cn1cnnc1[C@@H](O)c1ccc(N2CCNCC2)cc1 2286068603 PYLMFXIMLAHRRG-ZDUSSCGKSA-N 273.340 0.306 10 10 CCCE Nc1ccc(NC(=O)NCC(F)(F)C2(O)CNC2)cc1 2288530128 ZIWYXCAMWXJMQQ-UHFFFAOYSA-N 286.282 0.360 10 10 CCCE O=S(=O)(CCF)N1CCc2cc(O)c(O)cc2C1 2318621272 FBADXGILLDEVHL-UHFFFAOYSA-N 275.301 0.755 10 10 CCCE O=C1Nc2cc(N3C[C@H]4C[C@@H](O)[C@H]4C3)ccc2[C@H]1O 2333483412 FQAROWRNJJWZPL-CHULRUDVSA-N 260.293 0.489 10 10 CCCE N[C@@H]1CCCc2cc(N3CC([C@@H](O)CO)C3)ccc21 2336772776 ZXINVDFWSQTYQU-CABCVRRESA-N 262.353 0.812 10 10 CCCE O=C1NCCC[C@@H]1N1CCc2cc(O)c(O)cc2C1 2341216193 IKQZKLSRMXUSHL-NSHDSACASA-N 262.309 0.735 10 10 CCCE CS(=O)(=O)[C@H]1CC[C@@H]1NC(=O)Cc1ccc(N)cc1 2342715235 PDBHLLCGPLYCIO-RYUDHWBXSA-N 282.365 0.503 10 10 CCCE C[C@@](CN)(C(=O)O)N1CCc2cc(O)c(O)cc2C1 2350704979 GOSDFKSLBMKCAN-CYBMUJFWSA-N 266.297 0.258 10 10 CCCE COc1cc(CN(C)CCO)ccc1N1CCNCC1 212638613 UNCDIHIKQVIVOF-UHFFFAOYSA-N 279.384 0.529 10 10 CCCE CCNC(=O)[C@@H]1COCCN1C(=O)c1cccc(O)c1O 126518734 APACRFCPIDOKJT-JTQLQIEISA-N 294.307 0.075 10 10 CCCE O=C1NCCCC[C@H]1NCc1ccc(O)c(O)c1 36976866 WZBDOSXVKWIMIO-SNVBAGLBSA-N 250.298 0.856 10 10 CCCE COc1ccc(CN2CC[C@H](C(N)=O)C2)c(O)c1 157214172 ZMYFRPBNUPNPKS-JTQLQIEISA-N 250.298 0.708 10 10 CCCE CN(C)C(=O)CS(=O)(=O)Cc1ccc(N)cc1 379750539 KVNAQFLGVWFGFV-UHFFFAOYSA-N 256.327 0.272 10 10 CCCE CCOC(=O)[C@@]1(NCCN=[N+]=[N-])CCCS(=O)(=O)C1 90257443 YEQBVRZPJQLMSK-SNVBAGLBSA-N 290.345 0.397 10 10 CCCE C[C@H](NC(=O)COc1ccc(N)cc1)c1nnc[nH]1 230415103 BYJMFKRWKKQTHB-QMMMGPOBSA-N 261.285 0.643 10 10 CCCE CN(C)CCN[C@H](C(=O)O)c1cc(F)ccc1O 234244299 AKAXHFRYYYFTJO-NSHDSACASA-N 256.277 0.808 10 10 CCCE CN(C)c1ccc(CN2CC[C@H](NC(N)=O)C2)cc1 271384555 RXWXSNWKBUALQY-LBPRGKRZSA-N 262.357 0.995 10 10 CCCE CNCc1ccc(N2CCN3C(=O)NC[C@@H]3C2)c(C)c1 91754484 OYKDLBBZABNDKG-CYBMUJFWSA-N 274.368 0.928 10 10 CCCE COC[C@@H](O)CNCc1ccc(N2CCN(C)CC2)cc1 801733092 UAENOOCJPSWAHM-INIZCTEOSA-N 293.411 0.535 10 10 CCCE CC[C@@H](O)CN(C)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 2162893940 SGQUTBXLZYFTAN-MNOVXSKESA-N 282.340 0.197 10 10 CCCE CN[C@@H](c1ccc(N(C)C)cc1)[C@H](O)c1cnn(C)n1 2163144276 LWLWQRSBLPMLQN-UONOGXRCSA-N 275.356 0.875 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@@H]3C[C@H]2CO3)cc1 718350442 DPKTXTFPLHCJKE-RYUDHWBXSA-N 268.338 0.572 10 10 CCCE CNC(=O)CC1CN(c2ccc3c(c2)NC(=O)[C@H]3N)C1 723162923 BQZDOHUWQRTRCL-ZDUSSCGKSA-N 274.324 0.211 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N3CC(NC(C)=O)C3)ccc21 723181940 JBIITECQAMIHCZ-CYBMUJFWSA-N 274.324 0.224 10 10 CCCE CN(C)c1ccc(CNS(=O)(=O)C[C@H]2CCCN2)cc1 722233056 VKXMKDUJADAZLV-CYBMUJFWSA-N 297.424 0.924 10 10 CCCE C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC(=O)N1 824909881 QNXDDPAXKHEYRE-ZDUSSCGKSA-N 289.379 0.844 10 10 CCCE CC(C)NS(=O)(=O)N1Cc2cccc(O)c2C1 867691292 VBTKCHYSXWAROJ-UHFFFAOYSA-N 256.327 0.951 10 10 CCCE CC[C@@H](C(=O)NCc1cccc(O)c1O)C(=O)OC 1123888372 HZXNWLCYIVZZSD-VIFPVBQESA-N 267.281 0.913 10 10 CCCE C[C@H](CN1CCNCC1)[C@@H](O)c1ccc(O)c(O)c1O 71452038 OMTAPFZEPUCZLD-BXKDBHETSA-N 282.340 0.378 10 10 CCCE COc1cc(NS(=O)(=O)c2cnc[nH]2)ccc1O 797820200 LBPUUJJGKXKNBJ-UHFFFAOYSA-N 269.282 0.925 10 10 CCCE COc1ccc(O)c(CN[C@@H]2CCOC[C@@H]2O)c1 706722311 FHQFFEIHLOZZJX-YPMHNXCESA-N 253.298 0.640 10 10 CCCE C[C@H](NCCc1nnnn1C)c1cc(F)ccc1O 756677423 QHSUGYADRGIKLS-QMMMGPOBSA-N 265.292 0.948 10 10 CCCE CN[C@H](C)c1ccc(N2CCN(C)C[C@H]2CO)cc1O 699488180 VEXOQIAIAXZXOI-YPMHNXCESA-N 279.384 0.785 10 10 CCCE CNCc1ccc(N2CCN3C(=O)NC[C@H]3C2)c(F)c1 91754483 QREBIYNPVJWMPU-NSHDSACASA-N 278.331 0.759 10 10 CCCE Nc1ccc(OCC(=O)NCCC(=O)NC2CC2)cc1 92985998 FTHGZRVSEDHUAW-UHFFFAOYSA-N 277.324 0.433 10 10 CCCE O=C(O)C[C@@H]1CN(Cc2cc(F)ccc2O)C[C@@H]1O 2117732302 PVTOWKVLJBOLDK-SKDRFNHKSA-N 269.272 0.799 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3CC=C[C@H]3CO)cc21 2119816430 SWVZFZHYKYSFCV-GXFFZTMASA-N 259.309 0.400 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H]2C[C@H]2[C@@H]1CO 1905738946 UDSCTANKDYIFLX-YIZRAAEISA-N 265.265 0.256 10 10 CCCE COc1cc(N)c(N2CCN(C(C)=O)CC2)cc1OC 213460652 PDIUTAWSYHLXFO-UHFFFAOYSA-N 279.340 0.955 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCN1S(=O)(=O)N1CCC[C@H](O)C1 1912178874 PXCRBONJVMBOOD-UWVGGRQHSA-N 289.361 0.463 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3CCC4(COC4)C3)cc21 1915838545 HRUQAOBFCMUQBX-CYBMUJFWSA-N 273.336 0.890 10 10 CCCE COCCOCCN(C)C(=O)Cc1ccc(O)c(O)c1 1468626922 GCIJOCUMBUGCQY-UHFFFAOYSA-N 283.324 0.762 10 10 CCCE COCCn1cc(C(=O)NCc2cc(O)ccc2O)nn1 1558175247 JSZFUEOPTKUBHM-UHFFFAOYSA-N 292.295 0.266 10 10 CCCE Cn1ncc(C(=O)NCc2ccc(O)cc2O)c1N 1626838317 WLHOOMXXFOFOBX-UHFFFAOYSA-N 262.269 0.344 10 10 CCCE CCC[C@@H](O)[C@H](CO)NC(=O)Cc1ccc(O)c(O)c1 1626167770 WFPGYCPEWDDTOA-WDEREUQCSA-N 283.324 0.278 10 10 CCCE C[C@@H](CC(N)=O)C(=O)NCCc1ccc(O)c(O)c1 1566369330 AMOVAIVTMNOQEA-QMMMGPOBSA-N 266.297 0.268 10 10 CCCE O=C(NCc1ccccc1O)[C@@H]1CCc2nnc(O)n2C1 1566373760 CYFXJLDPZWKRMN-SNVBAGLBSA-N 288.307 0.568 10 10 CCCE Cn1c(C(=O)NCc2cc(O)ccc2O)cnc1O 1651225811 ZFGPDBLYCGGOEG-UHFFFAOYSA-N 263.253 0.467 10 10 CCCE Cc1ccc(O)c([C@H](C)NCCOCC(N)=O)c1 230041474 IKIBLCRXBKXRQK-JTQLQIEISA-N 252.314 0.853 10 10 CCCE CC(=O)c1ccc(NC(=O)C[C@H]2C(=O)NN(C)C2=O)cc1 169996157 FGHCZPXUJVOIMX-NSHDSACASA-N 289.291 0.337 10 10 CCCE C[C@H](CNC(=O)Cc1ccc(N)cc1)[S@@](C)=O 164998141 FZLCLNXWAUYZIA-XLFHBGCDSA-N 254.355 0.695 10 10 CCCE COC(=O)c1ncn(C[C@H](O)COc2ccc(N)cc2)n1 167330550 SVXUKNXFWWZREH-JTQLQIEISA-N 292.295 0.087 10 10 CCCE CC(C)C1(O)CN(C(=O)c2ccc(O)c(O)c2)C1 232530383 FPALGRINWPQTCM-UHFFFAOYSA-N 251.282 0.941 10 10 CCCE CNCc1ccc(N(CCO)C2COC2)cc1OC 2139690647 ZATMCQAVHZKYRO-UHFFFAOYSA-N 266.341 0.612 10 10 CCCE COc1cc(N(C)[C@H]2CCS(=O)(=O)C2)ccc1CN 2139696869 NIGKLJAANSRKTP-LBPRGKRZSA-N 284.381 0.777 10 10 CCCE Cn1nccc1S(=O)(=O)Nc1ccc(O)cc1C(=O)O 124128654 KMELJBNFPCBLDN-UHFFFAOYSA-N 297.292 0.625 10 10 CCCE CO[C@@H](C(=O)NCc1ccc(N)cc1)[C@@H]1CCOC1 850711923 SZKZZMPRFVONGP-DGCLKSJQSA-N 264.325 0.937 10 10 CCCE Nc1ccc(N2C[C@H]3CCS(=O)(=O)[C@H]3C2)cc1 1941412361 PXOPXAGABCRRCK-SKDRFNHKSA-N 252.339 0.892 10 10 CCCE Nc1ccc(CCC(=O)N[C@H]2COCC[C@@H]2N)cc1 1876448244 CARIXNTWJTZBGF-STQMWFEESA-N 263.341 0.434 10 10 CCCE C[C@@H](N)[C@H]1CCCN1C(=O)c1cc(O)c(O)c(O)c1 1879188441 TVWHOLUOBZWKAE-VXNVDRBHSA-N 266.297 0.755 10 10 CCCE CN[C@@H](C)c1cc(F)c(N2C[C@H](O)[C@H](O)C2)c(F)c1 1880928184 PKLJCRWOVBTXDU-CQFDHEJISA-N 272.295 0.787 10 10 CCCE Cn1nncc1NC(=O)/C=C/c1ccc(O)c(O)c1 1179683427 RKWBWFHRNVCWDF-HWKANZROSA-N 260.253 0.878 10 10 CCCE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)NCCN=[N+]=[N-] 1883272715 YTSRHAVMIFYSRZ-MRVPVSSYSA-N 287.320 0.689 10 10 CCCE Nc1ccc(OCC(=O)O[C@H]2CCS(=O)(=O)C2)cc1 41093772 SKYPBFJGHLKELN-NSHDSACASA-N 285.321 0.378 10 10 CCCE COCCN1CC[C@@H](NCCc2ccc(O)c(O)c2)C1 2148014907 FFBRASPHZZVIAN-CYBMUJFWSA-N 280.368 0.951 10 10 CCCE CN[C@@H](c1ncnn1C)[C@@H](O)c1ccc(N(C)C)cc1 2148457242 FITJJJWZKOYLOX-OLZOCXBDSA-N 275.356 0.875 10 10 CCCE NC(=O)[C@H]1C[C@@H](N)CN(Cc2cc(F)cc(F)c2O)C1 2151022109 PPPJJPIPNMLACI-WCBMZHEXSA-N 285.294 0.305 10 10 CCCE Nc1cc2c(cc1N1C[C@H](O)C(F)(F)C1)CCC(=O)N2 2152098921 TVJVUJFBZFXEAO-NSHDSACASA-N 283.278 0.970 10 10 CCCE Nc1ccc(OC[C@H](O)CN2CCCC[C@@H]2CO)cc1 48857141 DYPNOODSOJCVNK-ZIAGYGMSSA-N 280.368 0.855 10 10 CCCE C[C@@H]1[C@@H](CC(=O)O)CCN1C(=O)c1cc(O)nc(O)c1 2153489023 CQQYFTGYXFZSFV-HTQZYQBOSA-N 280.280 0.818 10 10 CCCE Nc1ccc(-n2ccc(C(=O)NCC3COC3)n2)cc1 2154128288 FVLFTWXUHOPJHR-UHFFFAOYSA-N 272.308 0.831 10 10 CCCE CN[C@@H](c1ccccc1O)C1(O)COCCOC1 2031155307 VYFMYGRDMUDWBW-LBPRGKRZSA-N 253.298 0.431 10 10 CCCE CC1(C)C[C@@H](O)CN1C[C@@H](O)COc1ccc(N)cc1 2154832588 SCTRTRPQAUNOOJ-CHWSQXEVSA-N 280.368 0.854 10 10 CCCE OCC[C@H](CO)NCc1cccc(Br)c1O 309555183 HIWCWBKJRYEPRQ-SECBINFHSA-N 290.157 0.988 10 10 CCCE CN(C)c1ccc(CNC(=O)[C@@H](F)C2CNC2)cc1 311553932 JGKKIDJYSYYSIL-ZDUSSCGKSA-N 265.332 0.926 10 10 CCCE Oc1ccc(CN2CC[C@H](N3CCNCC3)C2)cc1O 312307081 YHNGGJDJZQHDOY-ZDUSSCGKSA-N 277.368 0.577 10 10 CCCE O=C(CN1CCC[C@](O)(CO)C1)c1ccc(O)c(O)c1 313684941 RUGBTWFGJNRYSJ-CQSZACIVSA-N 281.308 0.100 10 10 CCCE C[C@@H]1CCNC(=O)[C@@H]1CNC(=O)Cc1ccc(N)cc1 2159267519 PVVVKPKRZMIXFY-ZWNOBZJWSA-N 275.352 0.700 10 10 CCCE CCN(c1ccc([C@@H](C)N)c(O)c1)[C@H]1CC(=O)NC1=O 2171192983 OPQWBULYKLZGLP-KCJUWKMLSA-N 277.324 0.653 10 10 CCCE N[C@H]1C[C@](F)(CNC(=O)c2cc(O)nc(O)c2)C1 2043101452 XGHUVIYOTREOHK-DGFRNANFSA-N 255.249 0.052 10 10 CCCE N=C(CCCCNC(=O)c1cc(O)c(O)c(O)c1)NO 2188917840 ZYJGQQBCVSGCJA-UHFFFAOYSA-N 283.284 0.660 10 10 CCCE Cc1sc(CN)nc1C(=O)C(=O)C[C@H]1C[C@H](N)C1 2049783074 QQFIMJNTDNVCSS-ZKCHVHJHSA-N 267.354 0.789 10 10 CCCE CN(c1ccc(CN)cc1Cl)[C@@H]1CC(=O)NC1=O 2051509739 VIPYJWBMAZVYJZ-SNVBAGLBSA-N 267.716 0.650 10 10 CCCE O=S1(=O)C[C@H]2C(CNCc3ccccc3O)[C@@H]2C1 2054242422 ATXVGYDDFDRLNF-RYUDHWBXSA-N 267.350 0.772 10 10 CCCE NC[C@H]1CN(C(=O)c2cccc(O)c2O)C[C@@H]1F 2057004212 AMDUTONPMXPDPC-CBAPKCEASA-N 254.261 0.467 10 10 CCCE CN(C(=O)C1=C[C@H](O)[C@@H](N)C1)c1ncccc1F 2067764442 ANBRTSFCNUOXCN-UWVGGRQHSA-N 251.261 0.202 10 10 CCCE NC(=O)CN(Cc1ccc(N)cc1)C[C@@H]1C[C@H]1F 2068084069 QYOCFXUZXHDVAP-CMPLNLGQSA-N 251.305 0.914 10 10 CCCE NCc1cc(F)c(N2CC[C@H](O)[C@H](O)C2)c(F)c1 2068376222 HHHGKGVEUWJYMH-WDEREUQCSA-N 258.268 0.355 10 10 CCCE C[C@H]1NCC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2068619337 YICDBOSMOUEXLG-SVRRBLITSA-N 252.270 0.284 10 10 CCCE COc1cc(N(C)CCS(C)(=O)=O)ccc1CN 2084006172 TWTGJKPDKPPOEK-UHFFFAOYSA-N 272.370 0.635 10 10 CCCE CN1CCc2cc([C@@](C)(O)C3CS(=O)(=O)C3)ccc21 2106796042 MYDVUBFHYDNIQQ-CQSZACIVSA-N 281.377 0.931 10 10 CCCE NC[C@@H](F)C1CC(NC(=O)c2cc(O)c(O)c(O)c2)C1 2199126386 FWVPMOXZNCYCLJ-KPIFQKDSSA-N 284.287 0.609 10 10 CCCE NCc1ccc(N2CC[C@@H](OCC(N)=O)C2)cc1Cl 2089132388 BLTMBRNUDBLLPI-LLVKDONJSA-N 283.759 0.879 10 10 CCCE COc1ccc(N2CC(C)(C(N)=O)C2)c(CO)c1 2220428079 LBHYHXSOPJPENF-UHFFFAOYSA-N 250.298 0.499 10 10 CCCE CO[C@@H]1[C@H](OC)CN(Cc2cc(N)ccc2O)[C@@H]1CO 2233349877 ATVKFXXSBUSURD-BNOWGMLFSA-N 282.340 0.181 10 10 CCCE COc1cc(N2CC[C@H](O)[C@H](O)C2)cc(OC)c1OC 2235136229 PVQJSUCJDVPLDL-WDEREUQCSA-N 283.324 0.644 10 10 CCCE NC(=O)[C@@]1(O)CCN(c2ccc3c(c2)OCCCO3)C1 2235128754 GOJPXCLCXGLFQW-CQSZACIVSA-N 278.308 0.274 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H](O)C[C@@H](F)C1 2226308317 ZOQBUSYSQQUWJQ-SFYZADRCSA-N 271.244 0.348 10 10 CCCE CNCc1ccc(N2C[C@@H](CO)C[C@H](CO)C2)c(F)c1 2236633680 RDMHQIGJMWYZIT-STQMWFEESA-N 282.359 0.972 10 10 CCCE CC(C)[C@@](N)(COc1ccc(N(C)C)cc1)C(N)=O 2229372063 DIRQNHBHWUTPIP-AWEZNQCLSA-N 265.357 0.970 10 10 CCCE Nc1ccc(CS(=O)(=O)NCC2(O)CSC2)cc1 2255970479 VUYBSZFVXCMUGN-UHFFFAOYSA-N 288.394 0.166 10 10 CCCE CNC(=O)CCSc1ncc(C(=N)NO)s1 2246272522 DXLKPUHFXFICGI-UHFFFAOYSA-N 260.344 0.675 10 10 CCCE NCc1cc(F)c(N2CC[C@H]2[C@H](O)CO)cc1Cl 2258336842 ONGMFODVMUOZHX-CMPLNLGQSA-N 274.723 0.870 10 10 CCCE Nc1ccc(OCC(=O)N2C[C@H]3COC[C@H]2C3)cc1 2271333316 BAXLEHWCHAXUML-CMPLNLGQSA-N 262.309 0.895 10 10 CCCE COc1cc(OC)c(N2C[C@H](N)[C@@H](OC)C2)cc1OC 2289377985 JFIXHLCKVSZSCU-XPTSAGLGSA-N 282.340 0.875 10 10 CCCE CC[C@H](CO)NC(=O)C=Cc1ccc(O)c(O)c1 2307990320 KBPLMFKRFSSYOH-SNVBAGLBSA-N 251.282 0.998 10 10 CCCE [N-]=[N+]=NCCNC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)O 2312334043 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CN[C@](C)(CN(C)c1ccc(OC)cc1)C(N)=O 49972055 DLWXFRPJVXVZDX-CYBMUJFWSA-N 251.330 0.595 10 10 CCCE COC1CC(NS(=O)(=O)Cc2ccc(N)cc2)C1 234709224 UKFMWJCNCOWKQS-UHFFFAOYSA-N 270.354 0.866 10 10 CCCE COCCNCc1ccc(N2CC(=O)NC(=O)C2)c(F)c1 97269796 YUYHJWLAPQLQOL-UHFFFAOYSA-N 295.314 0.025 10 10 CCCE CC(=O)C(=O)COC(=O)Cc1ccc(Cl)cn1 808548224 CASBCTRXUBETAQ-UHFFFAOYSA-N 255.657 0.979 10 10 CCCE CN1CCc2cc([C@H](O)[C@]34CNC[C@H]3COC4)ccc21 2163077384 VCHHTIIRRRSTHR-BPUTZDHNSA-N 274.364 0.948 10 10 CCCE Oc1ccc(CNC[C@@H]2C[C@@H]3OCC[C@@H]3O2)c(O)c1O 2163196819 ARZFSRBFAHCKOR-DLOVCJGASA-N 281.308 0.839 10 10 CCCE CS(=O)(=O)[C@H]1C[C@H](NC(=O)Nc2ccc(N)cc2)C1 714245229 GJMBNIFXICPMCG-XYPYZODXSA-N 283.353 0.966 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3CCS[C@H](CO)C3)ccc21 720040627 PTGJLARYPKSJGF-JOYOIKCWSA-N 279.365 0.553 10 10 CCCE CN1CC[C@@H](OCC(=O)N(C)c2ccc(N)cc2)C1 1893457701 GYNOFKFLXVPTII-CYBMUJFWSA-N 263.341 0.952 10 10 CCCE C[C@@H](C(=O)Nc1ccc(N)cc1)N1CCOCCO1 1899653228 ASCQNZNUZLCGRJ-JTQLQIEISA-N 265.313 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CC[C@@]1(NC(=O)c2cc(O)c(O)c(O)c2)CCNC1 2132400903 PZSUTPONKWEKGH-CYBMUJFWSA-N 266.297 0.675 10 10 CCCE COc1ccc(N2[C@H]3CC[C@H]2[C@@H](O)[C@H](O)C3)c(N)c1 2133920698 SBTOIIGLBHFUOE-VGSLSFOHSA-N 264.325 0.740 10 10 CCCE CC1(C(N)=O)CN(c2cc3c(cc2F)[C@H](O)C(=O)N3)C1 1914223148 JHKLEHJMXUOIKJ-JTQLQIEISA-N 279.271 0.123 10 10 CCCE [N-]=[N+]=NC1CCN(S(=O)(=O)c2cnc[nH]2)CC1 1912168929 GRCAFLJQKNDJRW-UHFFFAOYSA-N 256.291 0.873 10 10 CCCE [N-]=[N+]=N[C@H]1CCN(C(=O)[C@@H]2CCCCS2(=O)=O)C1 1912192606 HZTKIYKJVSCDGZ-IUCAKERBSA-N 272.330 0.865 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3CC4(CCOC4)C3)ccc21 1915827113 YWYGVUTXTJACCC-GFCCVEGCSA-N 259.309 0.865 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N=S1(=O)CCOCC1 1472275276 JPUSMQTVHMKHKP-UHFFFAOYSA-N 285.321 0.665 10 10 CCCE COc1ccc2c(c1)S(=O)(=O)C[C@@H](C(=O)O)N2C 215730741 BXCKCTXAQFHPSN-VIFPVBQESA-N 271.294 0.372 10 10 CCCE COC(=O)[C@@]1(NC(=O)c2cccc(O)c2O)CCSC1 1610983067 WOWMIYFDTSLMNK-CYBMUJFWSA-N 297.332 0.876 10 10 CCCE CNC(=O)C[C@H](C)NC(=O)Cc1ccc(O)c(O)c1 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COC(=O)c1cccc(N)c1N[C@@H]1COCC[C@H]1N 1876469101 XTTGTLGYGXZUPF-MWLCHTKSSA-N 265.313 0.584 10 10 CCCE CON([C@@H]1CCNC1)S(=O)(=O)Cc1ccc(N)cc1 1876538099 FGYJDLFFQXTCHU-GFCCVEGCSA-N 285.369 0.324 10 10 CCCE C[C@H](NC(=O)C[C@@H]1CNC[C@H]1O)c1ccccc1O 1877588740 XNSREYULVVJRBM-OPQQBVKSSA-N 264.325 0.540 10 10 CCCE Nc1ccc(O)c(CN2CC[C@@H](OCCCO)C2)c1 2142079560 OKUNDLUJMCXAEX-CYBMUJFWSA-N 266.341 0.948 10 10 CCCE COC(=O)CCS(=O)(=O)N[C@@H](C)c1ccccc1O 1188406805 UWTALAHGMDXEOU-VIFPVBQESA-N 287.337 0.936 10 10 CCCE Nc1ccc(OC[C@H](O)CN2CCCC[C@H]2CO)cc1 249978999 DYPNOODSOJCVNK-UONOGXRCSA-N 280.368 0.855 10 10 CCCE N[C@@H](CO)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1 250044106 ZQGRIYYHQRMEQT-JQWIXIFHSA-N 264.325 0.604 10 10 CCCE C[C@H]1C[C@]1(CNC(=O)Cc1ccc(O)c(O)c1)C(=O)O 2157423301 XRWDCHQTHDXWPE-RMLUDKJBSA-N 279.292 0.867 10 10 CCCE O=C(Nc1ccc(O)cc1C(=O)O)c1ccc(O)nn1 48847099 BYYXZIWLTGVQCI-UHFFFAOYSA-N 275.220 0.838 10 10 CCCE COc1ccc(N(C)C[C@@H](O)Cn2cc(N)cn2)cc1 49968452 VOLYIFNOQRKKEE-CYBMUJFWSA-N 276.340 0.971 10 10 CCCE Nc1ccc(OC[C@H](O)CN2CC(CF)C2)cc1 2041173952 LNQDHSBCYVMPKJ-GFCCVEGCSA-N 254.305 0.910 10 10 CCCE Nc1ccc(OCCCN2C[C@H](O)[C@H]3COC[C@@H]32)cc1 2158412282 VRKZGYGVQKIENC-KKUMJFAQSA-N 278.352 0.729 10 10 CCCE CN1CCC[C@H](Nc2c(N)cccc2C(N)=O)C1=O 705954610 QYGCNZUFOQPYQY-JTQLQIEISA-N 262.313 0.400 10 10 CCCE C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)Cc1ccc(N)cc1 711771005 GDVLOMZFZQFRKH-JOYOIKCWSA-N 282.365 0.361 10 10 CCCE CN(CCCCO)c1ccc2c(c1)N(C)C(=O)[C@H]2N 385295423 ZCSQROUXGYYZCI-ZDUSSCGKSA-N 263.341 0.872 10 10 CCCE Cn1nnnc1CNCc1c(O)cccc1Cl 389333666 SVANSDHYNIYBRJ-UHFFFAOYSA-N 253.693 0.859 10 10 CCCE CO[C@@H]1COCC[C@H]1NCc1cccc(O)c1O 394087028 XDINSZVHFLIBNQ-ZYHUDNBSSA-N 253.298 0.991 10 10 CCCE Nc1ccc(OCCNC(=O)[C@H]2CC[C@@H]2C(=O)O)cc1 397497380 PFDLQHJNQOXKSU-RYUDHWBXSA-N 278.308 0.875 10 10 CCCE CN1CCc2cc([C@H](NN)c3cnn(C)c3N)ccc21 2163138185 KRDQVHRNVARPRF-ZDUSSCGKSA-N 272.356 0.547 10 10 CCCE CN(Cc1ccccc1O)C(=O)C[C@@]1(O)CCOC1 2062728190 XWWNSLJBHMBWNA-AWEZNQCLSA-N 265.309 0.892 10 10 CCCE O=C(Nc1ccc(O)c(O)c1)[C@H]1CCN2CCOC[C@H]12 2065011155 RCPPRHLEKPKLQG-WDEREUQCSA-N 278.308 0.757 10 10 CCCE CN1C(=O)[C@H](O)c2ccc(N3C[C@H]4C[C@H]3C[C@H]4O)cc21 2172054831 BUFLJLLBCVELFW-ZLBRTTDGSA-N 274.320 0.656 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3CCO[C@@H](CCO)C3)ccc21 2172871580 NREOLIDUAUWURV-GXFFZTMASA-N 277.324 0.226 10 10 CCCE O=C(c1cccc(O)c1O)N1Cc2cc(O)nnc2C1 2168686209 KFTHULYXGXIVBN-UHFFFAOYSA-N 273.248 0.749 10 10 CCCE Nc1ccc(NC(=O)CN2CC3(CC(CO)C3)C2)cc1 2186551615 OYRGRMCLFFDARA-UHFFFAOYSA-N 275.352 0.912 10 10 CCCE CN(c1cc2c(cc1N)OCC(=O)N2)[C@H]1[C@@H]2CNC[C@@H]21 2191566598 PLKSGTDTWVWXDW-ATTMTXSRSA-N 274.324 0.254 10 10 CCCE COc1cc(N)c(N2C[C@H](OC)C[C@H]2CN)cc1OC 2191605224 DCMGGMLOJBIMEA-VHSXEESVSA-N 281.356 0.838 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@H]3[C@@H](N)CC[C@H]3C2)cc1 2191775036 XLIZQHRIFHAUFG-YUTCNCBUSA-N 295.408 0.768 10 10 CCCE C[C@H]1CNC(=O)CN1c1ccc2c(c1)N(C)C(=O)[C@@H]2O 2181166851 DMIBVZZOODRWEP-ISVAXAHUSA-N 275.308 0.021 10 10 CCCE Nc1ccc(CS(=O)(=O)NC[C@@H]2C[C@H]2N)cc1 1909615474 FSZKILOADFRXHN-GXSJLCMTSA-N 255.343 0.035 10 10 CCCE CCn1cc(CNC(=O)c2cc(O)c(O)c(O)c2)nn1 2188867470 BBADPVXWHBEHLZ-UHFFFAOYSA-N 278.268 0.345 10 10 CCCE C[C@H]1CC[C@@H](C(=O)O)N1C(=O)c1cc(O)c(O)c(O)c1 2188867946 JOGOXZXKRYCRNA-XPUUQOCRSA-N 281.264 0.881 10 10 CCCE COc1cccc(O)c1CNCCNS(C)(=O)=O 2042571408 RAGUZFCOAAWPHY-UHFFFAOYSA-N 274.342 0.040 10 10 CCCE NC1CC(F)(CNC(=O)c2ccc(O)c(O)c2)C1 2043089549 CMKDNBQXKLPHHY-UHFFFAOYSA-N 254.261 0.657 10 10 CCCE O=C(NCc1ccccc1O)[C@H]1CCNC[C@H]1F 2046082725 VYOODZIYASYLSM-WDEREUQCSA-N 252.289 0.956 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1[C@H]2CC[C@@H]1C[C@H](CO)C2 2184586080 UURVNDIOVDCDLX-GUDFOSOFSA-N 278.308 0.868 10 10 CCCE Cc1cccc(O)c1CN[C@H]1[C@H]2CS(=O)(=O)C[C@H]21 2054273444 QOVFRUDIFSJZTM-PTEHBNRSSA-N 267.350 0.833 10 10 CCCE COc1ccc(CN2C[C@@H](O)C[C@@H]2CN)c(O)c1 2067388598 GMDXCKVXNGBYCT-MNOVXSKESA-N 252.314 0.295 10 10 CCCE C[C@@H](C[S@@](C)=O)NC(=O)c1cc(O)c(O)c(O)c1 2068577729 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COc1ccc(O)c([C@H](C)NCC(CO)CO)c1 2059269569 LRNKKTHIXKKMKA-VIFPVBQESA-N 255.314 0.652 10 10 CCCE CO[C@@H]1CCC[C@H]([C@H](NCCN=[N+]=[N-])C(N)=O)C1 2062754145 QXETUPSVFXCIPD-AEJSXWLSSA-N 255.322 0.945 10 10 CCCE Nc1ccc(OCCC(=O)N[C@@H]2C[C@@H]3NCC[C@H]32)cc1 2191669570 CZNBQKQIAIVYFZ-HZSPNIEDSA-N 275.352 0.904 10 10 CCCE C[C@H](NC(=O)[C@H]1COC[C@H]1N)c1ccccc1O 2072488450 AHJKNJCHOGHRBL-INTQDDNPSA-N 250.298 0.543 10 10 CCCE CS(=O)(=O)[C@@H]1CNC[C@H]1Nc1c(N)cccc1F 2072526629 QIERLGNLAWHCKS-NXEZZACHSA-N 273.333 0.205 10 10 CCCE Nc1ccc(CCCN2CCC2(CO)CO)cc1 2073914883 QIAMZRAWQZWTMW-UHFFFAOYSA-N 250.342 0.631 10 10 CCCE Cc1cccc(O)c1CN1C[C@H](O)C[C@H]1C(=O)O 2080554034 JSPRTGNPKUKJKG-KOLCDFICSA-N 251.282 0.720 10 10 CCCE COc1ccc(CNC[C@H]2C[C@H](CO)CO2)c(O)c1 2101331390 KGFCYYIFPIXHTE-ZWNOBZJWSA-N 267.325 0.888 10 10 CCCE Oc1cc(F)ccc1CN1CCO[C@H]2CNC[C@@H]21 2084066261 OMNOZNJTTIQWNU-AAEUAGOBSA-N 252.289 0.704 10 10 CCCE Nc1ccc(CS(=O)(=O)N(C2CC2)C2COC2)cc1 2105055972 KPBVERIPPRUQGU-UHFFFAOYSA-N 282.365 0.962 10 10 CCCE CN(C(=O)[C@H]1OCC[C@H]1C(=O)O)c1ccc(N)cc1 2106427346 BUPJACIYAFWNCI-MNOVXSKESA-N 264.281 0.721 10 10 CCCE CC1(C)C[C@@]1(NC(=O)c1cc(O)nc(O)c1)C(=O)O 2109655830 VDTPJWGODJFVSV-GFCCVEGCSA-N 266.253 0.476 10 10 CCCE C[S@@](=O)CC1CN(c2ccc3c(c2)NC(=O)[C@@H]3N)C1 2110349848 XNIMJVDMAOJSJW-CWTRNNRKSA-N 279.365 0.453 10 10 CCCE COc1ccc(N(CCCN)C[C@H]2CC(=O)N2)cc1 2092751313 JGIFTMXLVYQMJT-LLVKDONJSA-N 263.341 0.739 10 10 CCCE COC[C@@H](N[C@@H](C)c1ccc(OC)cc1O)C(N)=O 2096067876 YQKXDQOXVNRSQF-GZMMTYOYSA-N 268.313 0.552 10 10 CCCE NCC[C@@H]1CC[C@@H](NC(=O)c2cc(O)nc(O)c2)C1 2098510505 NQOJIZBFIVBQGP-WCBMZHEXSA-N 265.313 0.740 10 10 CCCE NCc1ccc(N2CC[C@@H](C(CO)CO)C2)cc1F 2114234893 BWVLPUIONKWZEI-LLVKDONJSA-N 268.332 0.712 10 10 CCCE COc1cc(N(C)CCN(C)C2COC2)ccc1CN 2204559904 VSHBYNLWOMOMEX-UHFFFAOYSA-N 279.384 0.921 10 10 CCCE CN(C)C[C@H]1COC[C@H]1NC(=O)Nc1ccc(N)cc1 2206378328 MVTHLVKDEKSMMK-GXFFZTMASA-N 278.356 0.967 10 10 CCCE C[C@@H]1C[C@]1(F)CNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 2206305476 IJBZNHDQNGAEQP-YACGNSKGSA-N 282.315 0.832 10 10 CCCE CCC[C@@H](N)CNC(=O)COc1ccc(N)cc1 2218564975 LFANKMRZFGGMAI-LLVKDONJSA-N 251.330 0.891 10 10 CCCE [N-]=[N+]=N[C@@H]1CCC[C@@H]1NC(=O)CN1CCCC1=O 2218745282 PJOMMNWWZROLBD-DTWKUNHWSA-N 251.290 0.956 10 10 CCCE O[C@H]1[C@H]2C[C@@H]([C@H]1O)N(c1ccc3c(c1)OCCCO3)C2 2235127008 NLUYZJPDOVUMOL-LHAJWOIZSA-N 277.320 0.778 10 10 CCCE COc1ccc(N2C[C@H](N(C)C)[C@H](O)C2)cc1OC 2226808283 VALFBPUMISNXON-NWDGAFQWSA-N 266.341 0.815 10 10 CCCE COc1ccc(N2CCC[C@@](O)(C(N)=O)C2)cc1C 2226878061 ZHSMIQGYGXQZRL-AWEZNQCLSA-N 264.325 0.820 10 10 CCCE NCc1ccc(N2C[C@H]3C[C@@H](O)[C@@H](O)C[C@H]3C2)c(F)c1 2236980451 QOLLHYNPERHADN-HGSJOUDDSA-N 280.343 0.852 10 10 CCCE COc1ccc(N2CC(N3CCOC3=O)C2)c(N)c1 2227400416 KEDSUHFOXFQYHW-UHFFFAOYSA-N 263.297 0.918 10 10 CCCE Cc1cc(N2CCN(CCO)C(=O)C2)ccc1[C@@H](C)N 2285134004 XEIOIGCRIKOFQL-GFCCVEGCSA-N 277.368 0.656 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)[C@@H]1C[C@@H]2CC[C@H]1N2 2296635109 FJMMCNFUDJMBEY-QJPTWQEYSA-N 276.336 0.897 10 10 CCCE COc1ccc(N2C[C@@H](O)[C@H](OC)C2)c(C=O)c1 2312416732 AIIFBRBQZSKMQM-CHWSQXEVSA-N 251.282 0.704 10 10 CCCE Cc1ccc(O)c(CN2C[C@H]3CS(=O)(=O)[C@@H]3C2)c1 2314962542 IDJSWJYNMDKRHB-WCQYABFASA-N 267.350 0.929 10 10 CCCE CSc1cc(N2CC[C@H](O)[C@H](O)C2)ccc1CN 2328547429 FKFSXXGEHYGIKZ-NWDGAFQWSA-N 268.382 0.799 10 10 CCCE NC[C@@H]1C[C@H]1CC(=O)NCCc1ccc(O)c(O)c1 2335760445 VWDONUGFGRWLKW-QWRGUYRKSA-N 264.325 0.741 10 10 CCCE NCc1ccc(N2C[C@H]3CS(=O)(=O)[C@H]3C2)c(F)c1F 2336554246 RCWFTDDZHVXVLC-WPRPVWTQSA-N 288.319 0.657 10 10 CCCE Oc1ccc(CNCc2nnn3c2CCC3)cc1O 2338999179 JHRMRZAEZBNMIF-UHFFFAOYSA-N 260.297 0.925 10 10 CCCE C[C@@H](F)[C@H](N)C(=O)N1CCc2cc(O)c(O)cc2C1 2341156974 YLIOYLPTMPCIBV-KRTXAFLBSA-N 268.288 0.668 10 10 CCCE CCn1cc(S(=O)(=O)NCCN=[N+]=[N-])nc1C 50266218 AUTNTCJRBOSKLY-UHFFFAOYSA-N 258.307 0.800 10 10 CCCE COc1cc(Cl)cc([C@@H]2NC(=O)[C@@H]3COCCN32)c1O 183632861 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COCC(=O)NCc1cc(NC(=O)COC)ccc1O 923126585 RYTFMVOITXPTJY-UHFFFAOYSA-N 282.296 0.240 10 10 CCCE CN(C)c1ccc(/C=C/C(=O)N[C@@H]2CCNC2=O)cc1 699036533 PPQZUOVLCWVVQT-OQHXTRMZSA-N 273.336 0.771 10 10 CCCE CC(=O)C(=O)COC(=O)c1c[nH]nc1[C@@H]1CCCO1 869900064 YTQHQJXSQPSARY-JTQLQIEISA-N 266.253 0.576 10 10 CCCE Nc1ccc(NC(=O)NC[C@@H]2C[C@H](O)CCO2)cc1 1876149293 LZTKLVPVERVACF-NEPJUHHUSA-N 265.313 0.930 10 10 CCCE Nc1cc2c(cc1N1C[C@H]3C[C@]3(N)C1)NC(=O)CO2 1876218291 UNJOOCMUEVJKAX-UHLUBPPHSA-N 260.297 0.137 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CCC(F)(F)C2=O)cc1 1876400788 DZRXQKCAQNRNLE-UHFFFAOYSA-N 290.291 0.966 10 10 CCCE O=C(NCc1c(O)cccc1O)C1CN([C@@H]2CCOC2)C1 1156886293 XTZVTMGPLGQDNH-LLVKDONJSA-N 292.335 0.435 10 10 CCCE O=C(/C=C/c1ccc(O)c(O)c1)NCc1cnc(O)[nH]1 1160387549 VYRGKKYEPMYZAN-DUXPYHPUSA-N 275.264 0.856 10 10 CCCE C[C@H](O)[C@H](NCc1ccc(N2CCNCC2)cc1)C(=O)O 84846390 WQXCUFYRIWEDSI-FZMZJTMJSA-N 293.367 0.020 10 10 CCCE CN(C)c1ccc(-c2nccn2C[C@H](O)CO)cc1 82736870 ZJAARYOILAZCLK-ZDUSSCGKSA-N 261.325 0.969 10 10 CCCE CNCCCNC(=O)[C@H](N)c1cc(C)ccc1O 83385201 VMRWVCMHOZDADQ-GFCCVEGCSA-N 251.330 0.426 10 10 CCCE COc1ccc(CNCCN2CCNCC2)c(O)c1 83482284 PZBFFMFTSANKSC-UHFFFAOYSA-N 265.357 0.396 10 10 CCCE CNCc1ccc(N2CC[C@H](NC(N)=O)C2)c(F)c1 690804592 LBWSUKPMOATFFA-JTQLQIEISA-N 266.320 0.792 10 10 CCCE Nc1ccc(CC(=O)N2CCS[C@@H](C(=O)O)C2)cc1 699241987 OTHWQFKPPAPXAW-LLVKDONJSA-N 280.349 0.840 10 10 CCCE Nc1ccc(CNc2cc3n[nH]c(=O)n3cn2)cc1 90645009 NFNIJKVMIBKJSL-UHFFFAOYSA-N 256.269 0.612 10 10 CCCE CNC(=O)[C@H](C)N(C)C(=O)Nc1ccc(N)cc1 1916787311 HFAIBSBPOZNNRE-QMMMGPOBSA-N 250.302 0.867 10 10 CCCE CNC(=O)[C@@H](C)N(C)CCC(=O)Nc1ccc(N)cc1 1916816869 VREJPFZYKVZFNQ-SNVBAGLBSA-N 278.356 0.664 10 10 CCCE Nc1ccc(OC[C@H](O)CN2CC(F)(CO)C2)cc1 2116282942 OJDWJRFMHPXJPW-LLVKDONJSA-N 270.304 0.025 10 10 CCCE O=C1N[C@H]2CN(C(=O)c3cccc(O)c3O)C[C@@H]2O1 2120407957 WPDLEMSWVBPIOO-CBAPKCEASA-N 264.237 0.031 10 10 CCCE Nc1ccc(OC[C@@H](O)CS(=O)(=O)CC2CC2)cc1 2121637687 PEGRFIWIISUAPW-GFCCVEGCSA-N 285.365 0.833 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN([C@@H]2CS(=O)(=O)C[C@H]2O)C1 1912158871 AFHXALORNHARSW-OPRDCNLKSA-N 274.346 0.167 10 10 CCCE Cn1nnc(C(=O)N2CCCC[C@@H](CN=[N+]=[N-])C2)n1 1912172194 CNYZVSYBEYXYHR-QMMMGPOBSA-N 264.293 0.763 10 10 CCCE C[C@H](c1ccccc1O)N(C)C(=O)[C@@]1(O)CCNC1 2126915931 DFCWCVOYZONYON-QMTHXVAHSA-N 264.325 0.636 10 10 CCCE CN(c1cc2c(cc1N)OCC(=O)N2)C1(CO)CC1 2128178766 YQCRTCPZCLJJSK-UHFFFAOYSA-N 263.297 0.561 10 10 CCCE CC(C)C[C@@H](NC(=O)c1cc(O)nc(O)c1)C(=O)O 19509191 CKHIRDMYRGRDRZ-MRVPVSSYSA-N 268.269 0.722 10 10 CCCE Nc1ccc(CC(=O)Nc2n[nH]c(CCCO)n2)cc1 1865956701 FRQVIMQWFSQUJK-UHFFFAOYSA-N 275.312 0.493 10 10 CCCE CN1CC[C@H](Nc2c(N)cccc2C(=O)O)CC1=O 2131970746 BHZRWJHKJYUOMK-QMMMGPOBSA-N 263.297 1.000 10 10 CCCE C[C@H]1CN(C)C[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2132402814 FMKJZPYNFDSVMD-CBAPKCEASA-N 266.297 0.483 10 10 CCCE COc1ccc(O)c(CN2CCN[C@H]3COC[C@H]32)c1 2132560710 RNDNDYMVYJYRPR-QWHCGFSZSA-N 264.325 0.573 10 10 CCCE Nc1ccc(OCCCN(CCO)C2COC2)cc1 1915544645 DOLAACZJJJPERB-UHFFFAOYSA-N 266.341 0.731 10 10 CCCE COc1cc(N(C)CC(N)=O)ccc1C=CC(=O)O 2139698901 OHUHQDLKKAAEEN-UHFFFAOYSA-N 264.281 0.715 10 10 CCCE C[C@@H]1CCN(C(=O)c2cccc(O)c2O)C[C@H]1O 230257704 XTSDHCKPJDFYDY-LDYMZIIASA-N 251.282 0.941 10 10 CCCE O=C1C[C@@H](CNCc2cc3c(cc2O)OCO3)CCN1 1969109002 BNMVYAZRFHLVSH-VIFPVBQESA-N 278.308 0.737 10 10 CCCE NC[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1 1969130891 BWBPPQWEOONGLP-JTQLQIEISA-N 250.298 0.448 10 10 CCCE CN(C[C@H]1COCCO1)C(=O)COc1ccc(N)cc1 2143685188 HBDAFRMIXVGOJM-ZDUSSCGKSA-N 280.324 0.521 10 10 CCCE CN[C@@H]1CCOC[C@H]1NC(=O)Cc1ccc(O)c(O)c1 2144029783 XNWFBRRRUFCFHN-GHMZBOCLSA-N 280.324 0.133 10 10 CCCE Nc1ccc(NC(=O)CCN2C[C@@H]3C[C@@H](O)[C@H]3C2)cc1 2151391457 HBRMBLMNCJEDFH-LEWSCRJBSA-N 275.352 0.910 10 10 CCCE CNC(=O)NC(=O)[C@H](C)N(C)c1ccc(CN)cc1 34653890 FKMIIDNTYSWMQV-VIFPVBQESA-N 264.329 0.426 10 10 CCCE Nc1ccc(CN2CCOC[C@@H]2C(=O)NC2CC2)cc1 159404437 WTLSGKROCVVGQK-CQSZACIVSA-N 275.352 0.748 10 10 CCCE 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10 CCCE CCN(C)C(=O)[C@@H](C)NC(=O)c1ccc(O)c(O)c1 233447137 AGVULBSYRPOTKO-MRVPVSSYSA-N 266.297 0.694 10 10 CCCE Nc1ccc(NC(=O)CCN2C[C@@H]3C[C@H](O)[C@H]3C2)cc1 2151391455 HBRMBLMNCJEDFH-BPNCWPANSA-N 275.352 0.910 10 10 CCCE NC[C@@H]1CCc2nnc(-c3ccc(O)c(O)c3)n2C1 236191808 RQHYWHISEJBFQL-QMMMGPOBSA-N 260.297 0.877 10 10 CCCE CN(C)Cc1cc(C[C@@](C)(O)C(=O)O)ccc1O 1952456380 FDGUELQSUSRKRG-CYBMUJFWSA-N 253.298 0.832 10 10 CCCE CN(C)Cc1cc([C@H]2CNCC(=O)N2C)ccc1O 1952501125 FURYUBSYJKZCFB-GFCCVEGCSA-N 263.341 0.557 10 10 CCCE CCOC(=O)[C@@H](N)C(C)(C)c1ccc(O)c(O)c1O 1952599247 BFMVDPTZDPDSOG-LLVKDONJSA-N 269.297 0.971 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3CCC[C@@H]3CO)cc21 155746853 FWPFOAZEBVYPMP-ZWNOBZJWSA-N 261.325 0.624 10 10 CCCE NCCc1cccc2c1ccn2C[C@@H]1CCS(=O)(=O)N1 2146176727 XKGSXUDXWDYEEC-LBPRGKRZSA-N 293.392 0.834 10 10 CCCE C[C@@H]1CCN(c2ccc3c(c2)NC(=O)[C@H]3O)[C@@H]1C(N)=O 2146453453 WBCZRUBXKIZLHH-MKCWBWRRSA-N 275.308 0.372 10 10 CCCE O=S1(=O)C[C@@H]2C(NCc3ccccc3O)[C@H]2C1 2006191504 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O=C(O)[C@@H]1[C@H]2C[C@H]1N(C(=O)c1ccc(O)c(O)c1)C2 400184164 BZBIJFNAERYKCN-VAOFZXAKSA-N 263.249 0.643 10 10 CCCE COC(=O)NCCNC(=O)Nc1ccc(N)cc1 308436984 XCQPXTMDNCNVAQ-UHFFFAOYSA-N 252.274 0.746 10 10 CCCE COc1ccc(N(C)C[C@@H](O)CN)c([N+](=O)[O-])c1 310804626 HOBVKUBHHBACJA-QMMMGPOBSA-N 255.274 0.359 10 10 CCCE Nc1ccc(N2CCN(C[C@H]3CCC(=O)N3)CC2)cc1 312232709 HXGBYIAHUWBIKJ-CYBMUJFWSA-N 274.368 0.669 10 10 CCCE CC[C@H](N)c1ccc(N2CCC[C@@](O)(C(N)=O)C2)cc1 312762408 KTUIEGJZDDRETL-ZFWWWQNUSA-N 277.368 0.913 10 10 CCCE C[C@H](N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O)c1ccc(F)cc1O 2177946349 YEYCTOCRZPJEKU-WXMORRPASA-N 285.315 0.285 10 10 CCCE CN(C)c1ccc([C@H](N)c2nnc3n2CCOC3)cc1 701517780 FFTFQHIEWBHASE-ZDUSSCGKSA-N 273.340 0.922 10 10 CCCE COc1ccc(CN[C@@H]2C[C@H](CO)[C@H](O)[C@H]2O)cc1C 2177944269 LCKBZIUUMDQSNN-UXOAXIEHSA-N 281.352 0.196 10 10 CCCE O=C1NC(=O)[C@@]2(CCN(Cc3cc(Cl)ccc3O)C2)N1 372837631 MXGIPTRRDKNEPZ-ZDUSSCGKSA-N 295.726 0.830 10 10 CCCE NCCOCCc1nc(-c2ccc(O)c(O)c2)no1 381385170 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N[C@H]1C[C@](F)(CNC(=O)c2cccc(O)c2O)C1 2043101413 WZDASZUTDXWSGI-OGXFKERWSA-N 254.261 0.657 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)[C@@H]2CC23CCNCC3)C1 2049783906 CJASTACPAIDCRE-DCAQKATOSA-N 250.342 0.642 10 10 CCCE CC[C@@H](O)[C@H](C)NC(=O)c1cc(O)c(O)c(O)c1 2068579533 XZFYTLLFVQYDKN-POYBYMJQSA-N 255.270 0.693 10 10 CCCE C[C@@H](N)CCCNC(=O)c1cc(O)c(O)c(O)c1 2068621290 NHXAWQOVVLRJPF-SSDOTTSWSA-N 254.286 0.661 10 10 CCCE CO[C@H]1C[C@@H](CO)N(C(=O)c2cc(O)c(O)c(O)c2)C1 2188868232 NSJMRRFLOBWGGR-IUCAKERBSA-N 283.280 0.025 10 10 CCCE Nc1ccc(CN2CCOC[C@@H]2CC(=O)O)cc1 2076884783 ADAOCFLBMBRZRC-LBPRGKRZSA-N 250.298 0.944 10 10 CCCE CCn1nncc1[C@H](O)[C@H](NC)c1ccccc1O 2100281202 WKGKQLPOLQRTBE-OLZOCXBDSA-N 262.313 0.998 10 10 CCCE O=S(=O)(Nc1ccc(O)cc1)N1CCC[C@@H](CO)C1 2101593645 PTXCZVCNBPQWKR-SNVBAGLBSA-N 286.353 0.753 10 10 CCCE CN(C)C1(C)CN(c2ccc3c(c2)NC(=O)[C@H]3N)C1 2104374608 LQOZETCGZCJHBY-LBPRGKRZSA-N 260.341 0.779 10 10 CCCE COCCN[C@@H](C(=O)OC)c1c(O)cccc1OC 2104437766 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CCCE Cc1cc(N2CCC2(CO)CO)ccc1[C@H](C)O 2257479978 MYGSKFGAYYGZMS-NSHDSACASA-N 251.326 0.982 10 10 CCCE CN(CC(F)(F)C(=O)O)C(=O)c1cccc(O)c1O 2277965610 MOHKUMVSRDHFMI-UHFFFAOYSA-N 275.207 0.890 10 10 CCCE CC[C@@H](C)[C@H](NC(=O)c1cccc(O)c1O)C(N)=O 2278752296 NNCXTJGSHKHGDD-XCBNKYQSSA-N 266.297 0.728 10 10 CCCE Nc1ccc(CCCN2C[C@@H]3C[C@H]2[C@H](O)[C@H]3O)cc1 2329333013 QKOIUNDSDODJBH-MXAVVETBSA-N 262.353 0.627 10 10 CCCE N=c1[nH]c(N)c(Cl)c(=NCCc2ccc(N)cc2)[nH]1 2337723382 DKQUINBUSRXPGB-UHFFFAOYSA-N 278.747 0.783 10 10 CCCE COC(=O)CC(=O)N1CCc2cc(O)c(O)cc2C1 2341194653 WPMCRDCXFLHDIJ-UHFFFAOYSA-N 265.265 0.546 10 10 CCCE CS(=O)(=O)[C@@H]1CC[C@@H]1NC(=O)Cc1ccc(N)cc1 2342715234 PDBHLLCGPLYCIO-NWDGAFQWSA-N 282.365 0.503 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3CCC[C@H](C(N)=O)C3)ccc21 36193496 GGBGSTVAAIFBNT-ZANVPECISA-N 288.351 0.601 10 10 CCCE COc1ccc(O)c(CNC(=O)[C@H]2C[C@H](OC)CN2)c1 189261122 GMQYASZEJOCDDC-NWDGAFQWSA-N 280.324 0.394 10 10 CCCE C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1)[C@@H]1CCCO1 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1597425129 KKFRFCVBJLUWCC-RKDXNWHRSA-N 299.348 0.793 10 10 CCCE Cc1ccc(O)c(CNCC2CS(=O)(=O)C2)c1 701903510 KUJGCXABBUOSQG-UHFFFAOYSA-N 255.339 0.835 10 10 CCCE CN1CC[C@@](O)(CNCc2cccc(O)c2O)C1 702571564 ABAYXDBDMAXMBW-CYBMUJFWSA-N 252.314 0.254 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CCC[C@@H]1c1nn[nH]n1 720638298 UXPWONBAXWNNGD-MRVPVSSYSA-N 275.268 0.588 10 10 CCCE CN(Cc1ncnn1C)C(=O)COc1ccc(N)cc1 707355702 ZCOXGEXQFRQYRO-UHFFFAOYSA-N 275.312 0.435 10 10 CCCE C[C@H](CS(C)(=O)=O)N(C)c1ccc2c(c1)NC(=O)[C@H]2O 708469166 LYCXFSJAQRXPNH-PELKAZGASA-N 298.364 0.541 10 10 CCCE CN1CC(CN(C)C(=O)c2ccc(O)c(O)c2)C1 822038101 ZVZIFZZLGFTFMX-UHFFFAOYSA-N 250.298 0.731 10 10 CCCE CN(CCCS(C)(=O)=O)C(=O)c1cccc(O)c1O 694160917 XKGRCKUFJMDLEX-UHFFFAOYSA-N 287.337 0.605 10 10 CCCE CC[C@H]1C(=O)NC(=O)CN1c1ccc(CNC)cc1F 97320319 RWLCYDIWQHTARH-NSHDSACASA-N 279.315 0.787 10 10 CCCE CN1C(=O)CS/C1=C/C(=O)NCc1cc(O)ccc1O 1303225224 CGUIYMGGRFCVCI-WLRTZDKTSA-N 294.332 0.761 10 10 CCCE C[C@@H](Cn1cncn1)NC(=O)c1c(F)ccc(O)c1O 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CCCE OC[C@@H]1CN(c2ccc(OC(F)F)cc2)C[C@H](O)[C@H]1O 2295854238 CWOWVJCRCCKPAD-UWJYBYFXSA-N 289.278 0.438 10 10 CCCE CN(C)c1ccc(CNC(=O)CN[C@@H]2CCOC2)cc1 2288215067 YJELSRPGJGCZJS-CYBMUJFWSA-N 277.368 0.747 10 10 CCCE NCc1cc(F)c(N2CC3(CNC(=O)CO3)C2)c(F)c1 2289734181 AANGBBQCQXRTOA-UHFFFAOYSA-N 283.278 0.129 10 10 CCCE CP(C)(=O)C[C@@H](N)C(=O)NCc1ccccc1O 2313911469 ONISFZOGUIZAAE-SNVBAGLBSA-N 270.269 0.958 10 10 CCCE Cc1cccc(CN2C[C@H]3CS(=O)(=O)[C@H]3C2)c1O 2314965727 VPUXPTIQKHPLKH-RYUDHWBXSA-N 267.350 0.929 10 10 CCCE C[C@@H](O)c1ccc(N2C[C@@H]3C[C@H]2[C@H](O)[C@H]3O)c(F)c1 2329323861 JZQWLPFGRLUBRV-QLHATJFASA-N 267.300 0.809 10 10 CCCE NCC12CC(C1)[C@@H](C(=O)C(=O)C[C@H]1C[C@H](N)C1)CO2 2342767944 MYMYDGSMDYKFOH-YHSCYLDLSA-N 266.341 0.006 10 10 CCCE CN1C(=O)NC(=O)/C(=C\c2nc3ccccc3[nH]2)C1=O 502363 ZAYRTXNZWGSVSF-VOTSOKGWSA-N 270.248 0.655 10 10 CCCE C[C@H]1CN(C(=O)[C@@H](N)Cc2ccc(O)c(O)c2)CCN1C 110740226 OTSFIIUHMATMIB-JQWIXIFHSA-N 293.367 0.130 10 10 CCCE 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COC(=O)CC[C@@H](N)C(=O)NCc1ccccc1O 828015736 LFKIECSTPHIQJE-SNVBAGLBSA-N 266.297 0.289 10 10 CCCE O=C1N=C(N2CCOCC2)S/C1=C/c1cc[nH]c(=O)c1 901441676 CYUJDCCZUADSAY-JXMROGBWSA-N 291.332 0.677 10 10 CCCE COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)CN)C2)cc1 851664242 UWHARTIGDXLTFU-RYUDHWBXSA-N 292.383 0.920 10 10 CCCE COc1cc(O)c(CNC[C@H]2COCCN2C)cc1OC 862507575 ICCKXYQGEZABTK-LBPRGKRZSA-N 296.367 0.830 10 10 CCCE O=C1C[C@H](C(=O)N2Cc3cccc(O)c3C2)CCN1 871203418 LNGCIYFTPCBRKA-SECBINFHSA-N 260.293 0.761 10 10 CCCE CCOc1cccc(CN[C@@H](CCC(N)=O)C(=O)O)c1O 75436143 UCASWFLEWRFHAQ-JTQLQIEISA-N 296.323 0.599 10 10 CCCE COc1cc(N)c(N2C[C@H](O)C[C@@H]2CN)cc1OC 1876547835 ARVYNWXOLMNPNJ-RKDXNWHRSA-N 267.329 0.184 10 10 CCCE C[C@@H](O)c1cc(F)c(N2CC(CO)(CO)C2)c(F)c1 1880479662 PBMSBXFASVMOQI-MRVPVSSYSA-N 273.279 0.809 10 10 CCCE CC(C)(CO)c1nnc([C@H](N)c2cc(O)ccc2O)o1 83588897 KXOBFUNMEGVGSZ-SNVBAGLBSA-N 279.296 0.799 10 10 CCCE C[C@H](NCc1ccc(N2CCNCC2)cc1F)C(=O)O 84846851 LWOMHNYGRHZTCA-JTQLQIEISA-N 281.331 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[N-]=[N+]=NC[C@H]1CCN(S(=O)(=O)N2CCOCC2)C1 1912172781 HHQYWWJGKIXKKY-SECBINFHSA-N 275.334 0.196 10 10 CCCE CCO[C@@H]1CS(=O)(=O)C[C@H]1N1CC(N=[N+]=[N-])C1 1912206443 JYDZPYNMZBIMRC-RKDXNWHRSA-N 260.319 0.183 10 10 CCCE CNC[C@H]1CN(c2ccc3c(c2)OCO3)CCN1C 216988118 JBILHLRLNLEUKR-LBPRGKRZSA-N 263.341 0.755 10 10 CCCE Cc1nc[nH]c1CC(=O)NCc1ccc(O)cc1O 1643104366 VWXUNGKDYMVUCL-UHFFFAOYSA-N 261.281 0.988 10 10 CCCE C[C@H](O)c1ccc(N2C[C@@H]3C[C@H](C2)[C@H](O)[C@@H]3O)cc1 2126152843 KJSVHLAIHWRAEX-LOISDPQCSA-N 263.337 0.918 10 10 CCCE CCOc1cccc(CNCCC(CO)CO)c1O 2127920162 DLTDEEXDCZQCJP-UHFFFAOYSA-N 269.341 0.871 10 10 CCCE O=C(NCC[C@H]1CCCN1)c1cccc(O)c1O 166673091 KJSZFAYVWIWRBX-SECBINFHSA-N 250.298 0.970 10 10 CCCE C[C@H]1CO[C@H](CO)CN1Cc1cc(N)ccc1O 167855393 LFSVOFPTDKOPOU-CABZTGNLSA-N 252.314 0.556 10 10 CCCE C[C@H](CN(C)C(=O)c1cc(O)c(O)c(O)c1)C(N)=S 2132402652 ZUCJFTDDGMXOQB-ZCFIWIBFSA-N 284.337 0.798 10 10 CCCE C[C@@]1(O)CCN(c2ccc3c(c2)CC[C@H]3O)C[C@H]1O 1893332351 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CN1C(=O)[C@@H](N)c2ccc(N3CC(C)(C)[C@@H]3CO)cc21 2148959482 YUHJRESHBZBQGW-STQMWFEESA-N 275.352 0.870 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CCC[C@H]1CNC1CC1 2145843961 QGSSAEIFIOQOCX-NSHDSACASA-N 277.324 0.849 10 10 CCCE COC(=O)c1ccc(CN2CCNCC2)c(O)c1 260848657 UDUCWTIXBBJLAA-UHFFFAOYSA-N 250.298 0.584 10 10 CCCE CCNC(=O)NC(=O)[C@@H](C)N(C)Cc1ccc(N)cc1 35360553 VWYDLHAWZKBRKF-SNVBAGLBSA-N 278.356 0.935 10 10 CCCE O=C1CCC[C@@H]2CN(C(=O)c3cc(O)nc(O)c3)C[C@@H]12 2149381662 GABBHIPLMPPVOA-PSASIEDQSA-N 276.292 0.934 10 10 CCCE Nc1cc2c(cc1N1C[C@H](O)C3(CC3)C1)NC(=O)CO2 2149754908 QTLXYIUQUYNRHI-LBPRGKRZSA-N 275.308 0.561 10 10 CCCE CNC(=O)NC(=O)[C@@H](C)OC(=O)Cc1ccc(N)cc1 41098596 IGIKOKYUIBDOPV-MRVPVSSYSA-N 279.296 0.199 10 10 CCCE CCOC(=O)CNC(=O)NCCOc1ccc(N)cc1 2157005877 NDWZDACKYITXAU-UHFFFAOYSA-N 281.312 0.510 10 10 CCCE C[C@H](NC(=O)N1CC[C@H](N=[N+]=[N-])C1)S(C)(=O)=O 2024078602 AUZBJWFRENDARD-RQJHMYQMSA-N 261.307 0.471 10 10 CCCE Cc1c[nH]c(C(N)=O)nc1=NCCc1ccc(N)cc1 2157381369 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Cc1cccc(CNCC(=O)N2CCOCC2)c1O 388658261 OLZKGSYUSUXYNU-UHFFFAOYSA-N 264.325 0.649 10 10 CCCE C[C@@H]1CN(C(=O)[C@@H]2CNc3ccccc3N2)CC(=O)N1 395687783 DPSHXJSHBVHXFJ-SKDRFNHKSA-N 274.324 0.240 10 10 CCCE COc1cccc(CNC[C@@H]2Cc3nncn3C2)c1O 2167743107 YOADNPZJMOASEK-JTQLQIEISA-N 274.324 0.954 10 10 CCCE NC[C@@H]1CO[C@H]2CN(C(=O)c3ccc(O)c(O)c3)C[C@H]12 2178099683 WXUINAWKRIEGQD-BREBYQMCSA-N 278.308 0.144 10 10 CCCE Nc1ccc(OCCN2CCN3CCOC[C@H]3C2)cc1 2185885693 SMZFBYJTDQYKCT-CQSZACIVSA-N 277.368 0.664 10 10 CCCE COC(=O)c1cccc(N)c1N[C@H]1CNCC[C@H]1CO 2191736066 CLOOYLRUPWDMBE-CABZTGNLSA-N 279.340 0.438 10 10 CCCE COC(=O)c1cccc(N)c1N[C@@H]1CO[C@H]2CNC[C@@H]12 2191739586 YMIIITNGIYSJOU-WCQGTBRESA-N 277.324 0.454 10 10 CCCE NCC[C@@H]1CN(c2cc3c(cc2N)OCCO3)CCO1 2191896857 HTEUZHLUJRLVDH-SNVBAGLBSA-N 279.340 0.594 10 10 CCCE C[C@@H](NCc1cccc(O)c1O)[C@@H]1COCCO1 2041950099 CRSKAULGEZLXHZ-SKDRFNHKSA-N 253.298 0.991 10 10 CCCE CN1CCc2cc([C@](C)(N)CS(C)(=O)=O)ccc21 2050952015 KIDWUDDFUUTUAV-CYBMUJFWSA-N 268.382 0.897 10 10 CCCE NC(=O)[C@@H]1OCC[C@H]1NCc1cccc(F)c1O 2053781264 WDOLIWRXGVATIC-MWLCHTKSSA-N 254.261 0.264 10 10 CCCE [N-]=[N+]=NCC1(CNC(=O)CCSCC(N)=O)CC1 2054032012 QDXIHHHLGVEJRK-UHFFFAOYSA-N 271.346 0.802 10 10 CCCE CS(=O)(=O)[C@@H]1CCN(c2ccc(CO)cc2F)C1 2059356546 MGGSVFTWODAKRZ-SNVBAGLBSA-N 273.329 0.941 10 10 CCCE CN(C)c1ccc(CNC(=O)C2=C[C@H](O)[C@@H](N)C2)cc1 2188023542 VEPIBJIQTBEZOU-KBPBESRZSA-N 275.352 0.387 10 10 CCCE COc1ccc(O)c([C@H](C)NCC[C@H](O)CO)c1 2061854659 LHAJOVBFEZDIGP-UWVGGRQHSA-N 255.314 0.795 10 10 CCCE COC(=O)[C@H](C)CS(=O)(=O)N1CC[C@H](N=[N+]=[N-])C1 2063720302 HKDZMBQMXWIRIY-SFYZADRCSA-N 276.318 0.510 10 10 CCCE CN(Cc1cccnn1)C(=O)c1cc(O)c(O)c(O)c1 2188873870 AWJAIWFDPCOJEX-UHFFFAOYSA-N 275.264 0.866 10 10 CCCE COC(=O)[C@@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)C1 2188867482 BGXZTOGWESJBRG-SSDOTTSWSA-N 281.264 0.439 10 10 CCCE C[C@@H]1C[C@@H](CO)CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2188868853 XZRLKUBXABAAHT-RKDXNWHRSA-N 281.308 0.894 10 10 CCCE C[C@H](O)c1ccc(N2CC[C@@H](O)[C@@H](O)C2)c(F)c1 2068405260 FCTKKCSIUOIHTC-CKLFPEKLSA-N 255.289 0.811 10 10 CCCE CS(=O)(=O)[C@@H]1CNC[C@@H]1Nc1c(N)cccc1F 2072526631 QIERLGNLAWHCKS-VHSXEESVSA-N 273.333 0.205 10 10 CCCE Oc1ccc(CCNC[C@H]2CNCCO2)cc1O 2080283579 NCRLFLBZNDZAKP-NSHDSACASA-N 252.314 0.218 10 10 CCCE COc1ccc(O)c([C@@H](C)N2C[C@H](O)C[C@@H]2C(=O)O)c1 2200879713 WEYKAXCZKVKKLM-KBVBSXBZSA-N 281.308 0.982 10 10 CCCE CN1CCc2cc(CN3C[C@H](O)C[C@H]3C(=O)O)ccc21 2200877174 UCPWPFJKCXUHBP-OCCSQVGLSA-N 276.336 0.699 10 10 CCCE Nc1ccc(OCCCN2CC[C@@H](O)C[C@H]2CO)cc1 2200827542 FVCUTTQYSNSXAE-UONOGXRCSA-N 280.368 0.855 10 10 CCCE COCC1(O)CN(c2ccc(CN)c(OC)c2)C1 2084016517 LXKLJZMNAKKKMY-UHFFFAOYSA-N 252.314 0.351 10 10 CCCE CN(CCCS(N)(=O)=O)Cc1ccc(N(C)C)cc1 2087048658 XLTAXXLMURUMJE-UHFFFAOYSA-N 285.413 0.863 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1C[C@H](CO)C2(CC2)C1 2087797272 HHVFDMKBHOGLCO-SNVBAGLBSA-N 263.293 0.942 10 10 CCCE CS(=O)(=O)C1([C@@H](NCCCN=[N+]=[N-])C(=O)O)CCC1 2110410540 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2336886295 BAHWXJAKWQZLIE-CABCVRRESA-N 263.337 0.846 10 10 CCCE COC(=O)NC1CN(C(=O)Nc2ccc(N)cc2)C1 2351835778 FOSFNHDAZSHRHH-UHFFFAOYSA-N 264.285 0.841 10 10 CCCE O=C1Nc2cc(N3CC[C@H]4[C@@H](O)C[C@H]43)c(F)cc2[C@H]1O 2355695699 UZGWCDAAAQOYCK-GDQJLZBOSA-N 278.283 0.771 10 10 CCCE N[C@H]1CCc2cc(N3CC[C@@H]4C[C@H]3[C@@H](O)[C@H]4O)ccc21 2357588648 BTKLXMNNEBZPCA-RLPSOPLKSA-N 274.364 0.953 10 10 CCCE CNC(=O)CN(C)C(=O)c1ccn(-c2ccc(N)cc2)n1 35427939 FQBXPUDEJQKGBB-UHFFFAOYSA-N 287.323 0.273 10 10 CCCE CN(Cc1cn[nH]c1)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 70230183 YAAXOWSVCWBZCR-NSHDSACASA-N 290.323 0.349 10 10 CCCE CCOc1cccc(CN2CCN(CC(=O)O)CC2)c1O 86731355 OREUEFZSIILCRI-UHFFFAOYSA-N 294.351 0.993 10 10 CCCE N[C@H](c1ccc(Br)cc1O)[C@H](O)CO 713720041 FSYANAWZXIFPRI-RKDXNWHRSA-N 262.103 0.508 10 10 CCCE CNC(=O)C1CN(c2cc3c(cc2Cl)[C@H](N)C(=O)N3)C1 723157637 DWSBKGCLAOZMJE-NSHDSACASA-N 294.742 0.474 10 10 CCCE NS(=O)(=O)C1(CNCc2cccc(O)c2O)CCC1 721525942 XQGQHOPOBOBAIL-UHFFFAOYSA-N 286.353 0.399 10 10 CCCE CCON(C)C(=O)CNC(=O)c1cc(O)cs1 846662010 PJXVSSRTHRHGLP-UHFFFAOYSA-N 258.299 0.593 10 10 CCCE COc1ccc(O)c([C@@H](C)NC(=O)COC2(C)CNC2)c1 843489214 JBDIDGYVBFBKPR-SNVBAGLBSA-N 294.351 0.957 10 10 CCCE COc1cc([C@@H]2CNC(=O)[C@H]2C(=O)O)cc(O)c1O 1951857270 CLQPGBGOUDGDKW-RCOVLWMOSA-N 267.237 0.021 10 10 CCCE Nc1ccc(CCC(=O)N2C[C@H](O)C[C@@H]2CO)cc1 698168709 OQKBYCVCSQMWOI-CHWSQXEVSA-N 264.325 0.156 10 10 CCCE Nc1cc2c(cc1N1CCS(=O)CC1)OCCO2 49692513 BLPPXFIBHIQSPG-UHFFFAOYSA-N 268.338 0.609 10 10 CCCE NC(=O)[C@H]1CCCN1CC(=O)c1ccc(O)c(O)c1 50133187 LDZXKVOTQYXIMY-SECBINFHSA-N 264.281 0.230 10 10 CCCE N[C@@H](COCc1ccccc1)C(=O)C(=O)C[C@H]1C[C@H](N)C1 1956667288 CTFRUZYXFFSODM-IHRRRGAJSA-N 290.363 0.796 10 10 CCCE CC(C)(CNC(=O)c1cc(O)c(O)c(O)c1)OCCN 2188922665 IMKZQTPSMMRASM-UHFFFAOYSA-N 284.312 0.287 10 10 CCCE CC[C@@H](CO)NCc1ccc(N2CCNCC2)cc1 84846384 IAXSCLPKQVVLJL-AWEZNQCLSA-N 263.385 0.957 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3CCC[C@@H]3C(N)=O)ccc21 703050060 FYCJOBSNDLTNFQ-NEPJUHHUSA-N 274.324 0.353 10 10 CCCE CS(=O)(=O)NC1CN(c2ccc(CO)cc2Cl)C1 703003790 RSGKWGDJEJTIHY-UHFFFAOYSA-N 290.772 0.570 10 10 CCCE C[C@H](NC[C@H](O)CN(C)C)c1ccc(O)cc1O 717359681 MHWFHUINVCGAPN-ONGXEEELSA-N 254.330 0.671 10 10 CCCE CCN(Cc1ccc(N(C)C)cc1)C(=O)C1(O)COC1 1142410263 HPZGFLHDNSICIN-UHFFFAOYSA-N 278.352 0.862 10 10 CCCE COC(=O)NS(=O)(=O)N1CCC[C@@H]1CN=[N+]=[N-] 692805424 DINMPBPQDBGNAK-ZCFIWIBFSA-N 263.279 0.362 10 10 CCCE COc1cc(N)c(N2C[C@H](CO)OC[C@H]2C)cc1OC 214218809 CYARNOXZMJJGQX-NXEZZACHSA-N 282.340 0.872 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3CCOC[C@H]3CF)ccc21 2126208628 SZCWSNHKLXHHRP-BXKDBHETSA-N 265.288 0.813 10 10 CCCE Nc1ccc(NC(=O)CN2CC(O)(C(F)F)C2)cc1 2115489117 XZFRQMKTQOVWBU-UHFFFAOYSA-N 271.267 0.519 10 10 CCCE CCNC(=O)NC(=O)[C@H](C)N1CCC[C@@H]1CN=[N+]=[N-] 2123013536 AEEPEMCKFRDUFB-DTWKUNHWSA-N 268.321 0.995 10 10 CCCE CN[C@@H](C)c1ccc(N2C[C@@H](O)C[C@H](O)C2)cc1O 2126909340 MXLRSDQEWHMFGL-DLOVCJGASA-N 266.341 0.605 10 10 CCCE N[C@@H]1CCCc2cc(N3C[C@@H](O)[C@H](CO)C3)ccc21 2128275792 WSEBHHFBICQWGU-NILFDRSVSA-N 262.353 0.812 10 10 CCCE CSc1ncc(CNS(=O)(=O)C[C@@H](C)CO)s1 2248614833 ZFHPVJZFMBMBTC-ZETCQYMHSA-N 296.439 0.913 10 10 CCCE CS(=O)(=O)NCC(=O)N1CCC[C@@H](CN=[N+]=[N-])C1 1912190985 LVWVIIBMUBBIQJ-QMMMGPOBSA-N 275.334 0.085 10 10 CCCE Nc1nnn(CC(=O)NCc2c(O)ccc3ccccc23)n1 1456307808 FGEYJZIYVRTEHS-UHFFFAOYSA-N 298.306 0.431 10 10 CCCE NC[C@]1(F)CCN(C(=O)c2ccc(O)c(O)c2)C1 1917101458 VGXHXOVIMNSOQH-GFCCVEGCSA-N 254.261 0.611 10 10 CCCE C[C@@H](CN1CCOCC1)NC(=O)Cc1ccc(O)c(O)c1 1624578540 QLVIEZLBACQJRD-NSHDSACASA-N 294.351 0.477 10 10 CCCE CCN1CCCN(C(=O)Cc2ccc(O)c(O)c2)CC1=O 1556216305 RBQGEIQPIJOQBQ-UHFFFAOYSA-N 292.335 0.721 10 10 CCCE O=C(NCc1ccc(O)cc1O)[C@@H](O)c1cccnc1 1626837627 AVWDZNPXRBKVRZ-ZDUSSCGKSA-N 274.276 0.843 10 10 CCCE CCOC(=O)NCCC(=O)NCc1ccc(O)cc1O 1630301820 JMJAQNCAXNLWAM-UHFFFAOYSA-N 282.296 0.850 10 10 CCCE CC(=O)N[C@H]1CCN(CCOc2ccc(N)cc2)C1 133774404 MBUVJFCXMPSQAE-ZDUSSCGKSA-N 263.341 0.858 10 10 CCCE C[C@@H](Oc1ccc(N)cc1)C(=O)N[C@H](CC(=O)O)C(=O)O 1860082777 UCFGLMUKXCSLKS-GMSGAONNSA-N 296.279 0.080 10 10 CCCE CN(C[C@H](N)CC(=O)O)c1ccc2c(c1)CCO2 258869321 HSKMMZLHWHQMAG-SNVBAGLBSA-N 250.298 0.860 10 10 CCCE COc1cc(N2CCC(CO)(CO)C2)ccc1CN 2139683087 QMXCWBZNSIOQHI-UHFFFAOYSA-N 266.341 0.335 10 10 CCCE Cc1ccc(CNCC2CN(CC(=O)O)C2)c(O)c1 2139773496 GCBOLVDLPJLKJO-UHFFFAOYSA-N 264.325 0.807 10 10 CCCE C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cccc(O)c1O 126330470 HKMLUMSEQQGRCE-DTWKUNHWSA-N 278.308 0.824 10 10 CCCE COc1ccc(N2CCC(N)(C(N)=O)CC2)cc1C 2141658459 AURMPONFIYECTR-UHFFFAOYSA-N 263.341 0.787 10 10 CCCE Nc1ccc(CS(=O)(=O)NCC[C@@H]2CCCN2)cc1 1876415615 KVUWNUZVJJHYPQ-ZDUSSCGKSA-N 283.397 0.830 10 10 CCCE C[C@@H](NC(=O)CO[C@H]1CCNC1)c1ccccc1O 1877584902 BSCNPRLJJFPLHX-MNOVXSKESA-N 264.325 0.948 10 10 CCCE C[C@H]1CN[C@@H](C(=O)N(C)Cc2ccccc2O)CN1 1877518158 RALJJUMFUIKJDM-CMPLNLGQSA-N 263.341 0.301 10 10 CCCE NC[C@]1(CNC(=O)c2cccc(O)c2O)CCCO1 1879599999 MFDHAIVENFDCOZ-ZDUSSCGKSA-N 266.297 0.336 10 10 CCCE NC(=O)c1cccc(N)c1N[C@@H]1CCN[C@H]1C1CC1 1886018239 CQCIVKCHUOBMPD-NEPJUHHUSA-N 260.341 0.920 10 10 CCCE NCc1ccc(N2CCC[C@@H](OCC(N)=O)C2)cc1F 2145380471 AJMAKBXQRVHQQY-GFCCVEGCSA-N 281.331 0.755 10 10 CCCE NCc1cc(F)c(N2C[C@]3(CO)C[C@]3(CO)C2)c(F)c1 2146320229 USPZAHSJGTVLLW-OKILXGFUSA-N 284.306 0.605 10 10 CCCE CO[C@@H]1COC[C@@H]1Oc1ccc(N2CCNCC2)cc1 2146752300 AKLUVHJWDXKVPC-CABCVRRESA-N 278.352 0.889 10 10 CCCE O=c1c2c(ccn1C[C@@H]1C[C@@H]3COC[C@@H]3O1)CCNC2 2150792532 DZYSJTNMYNRMCE-DYEKYZERSA-N 276.336 0.298 10 10 CCCE CN1CC2(C1)CN([C@H](CN)c1ccc(N(C)C)cc1)C2 2152280379 ZYJLIMMVQBLGIL-OAHLLOKOSA-N 274.412 1.000 10 10 CCCE CN1[C@@H](COCc2ccc(N)cc2)CCS1(=O)=O 2028303221 MJCYVDOGKIBFDE-GFCCVEGCSA-N 270.354 0.819 10 10 CCCE C[C@H]1CCN(c2ccc(CN)cc2F)[C@H]1C(N)=O 2029779582 ZEVHZAIKEPVHIJ-QPUJVOFHSA-N 251.305 0.985 10 10 CCCE CO[C@H](C(=O)[C@@H]1CCCC(=O)C1=O)[C@H]1CCOC1 2032908747 MEXZZXXPHNWXCR-RWEMILLDSA-N 254.282 0.545 10 10 CCCE COC1(OC)CN(c2ccc3c(c2)CNCCO3)C1 311936226 HDMHBWDFCWWDJB-UHFFFAOYSA-N 264.325 0.978 10 10 CCCE COC1(CO)CN(c2cc3c(cc2Cl)[C@H](O)C(=O)N3)C1 2157307351 GZLFJFFEOLKUFY-NSHDSACASA-N 298.726 0.523 10 10 CCCE CS(=O)(=O)CC1CN(c2ccc3c(c2)NC(=O)[C@H]3N)C1 2159436126 XRXYTBIISMTVLE-LBPRGKRZSA-N 295.364 0.119 10 10 CCCE O=[N+]([O-])c1cc(CO)ccc1N1C[C@H]2C[C@H]1[C@H](O)[C@@H]2O 2160702481 DDTPBFOLPDWNOC-NZBQSGDWSA-N 280.280 0.017 10 10 CCCE Nc1cc2c(cc1N1CC(n3ccnn3)C1)OCCO2 2170199245 OJTYRCVXHVMOSW-UHFFFAOYSA-N 273.296 0.693 10 10 CCCE C[C@]1(O)C[C@H]2C[C@H]1C[C@@H]2NC(=O)c1cc(O)nc(O)c1 2178190994 ZLEGXLVJMMVFDH-YCWTYVPXSA-N 278.308 0.772 10 10 CCCE CNC(=O)CN1CCN(c2ccc(CN)cc2)CC1 704366259 KQCRLUBNEXVDAY-UHFFFAOYSA-N 262.357 0.013 10 10 CCCE C[C@@H]1CN(c2ccc3c(c2)N(C)C(=O)[C@H]3O)C[C@@H]1CO 708582074 ZTZOWCPMCLEVFB-RULNRJAQSA-N 276.336 0.761 10 10 CCCE CNCc1ccc(N2C[C@@H]3C(=O)NC(=O)[C@H]3C2)c(F)c1 386762763 IKDRBUARIYARQC-UWVGGRQHSA-N 277.299 0.254 10 10 CCCE O=S(=O)(C[C@@H]1CNCCO1)Nc1ccc(O)cc1 722212172 BCHFRNSMPDKUQW-NSHDSACASA-N 272.326 0.122 10 10 CCCE Cc1cc(O)n2ncc(C(=O)N(C)[C@H](C)CCO)c2n1 2063421470 IUGPGOBVMVMQJK-SECBINFHSA-N 278.312 0.586 10 10 CCCE O=C(NCc1c(O)cccc1O)[C@H]1CCN2CCOC[C@H]12 2064216915 IHRVJWDUMRKMAW-CMPLNLGQSA-N 292.335 0.435 10 10 CCCE Cc1ccc(Cn2ncc(S(C)(=O)=O)c2N)c(O)c1 2070220551 WZZPESFPLRQXMW-UHFFFAOYSA-N 281.337 0.931 10 10 CCCE CN1CCCc2cc(CN3C[C@@H](N)C[C@H](O)C3)ccc21 2168136058 YPBMWABUWOAHFE-GJZGRUSLSA-N 275.396 0.963 10 10 CCCE C[C@H]1OCC[C@H]1CN(CC(N)=O)Cc1ccc(N)cc1 2177650665 DWQZGZNHEIHPOL-YPMHNXCESA-N 277.368 0.981 10 10 CCCE NC(=O)CN1CCN(Cc2c(O)cccc2F)CC1 1137839158 UDWJYHOPGKBRDJ-UHFFFAOYSA-N 267.304 0.134 10 10 CCCE CNC[C@H](O)CN(C)C(=O)CCOc1ccc(N)cc1 2191725113 YLVIPPBEWZNTMR-LBPRGKRZSA-N 281.356 0.076 10 10 CCCE N[C@@H]1COC[C@H]1Cc1nc(-c2ccc(O)c(O)c2)no1 2187954249 OPOZLXBEUSMDQN-RKDXNWHRSA-N 277.280 0.664 10 10 CCCE O=[N+]([O-])c1cc(CO)ccc1N1CCO[C@@H]2COC[C@@H]21 2192646291 DHFYNRHMRBHGMC-QWHCGFSZSA-N 280.280 0.691 10 10 CCCE CN=c1nc(OC)[nH]c(N(C)Cc2ccccc2O)n1 2192604271 IVAMDZHCIBLWFK-UHFFFAOYSA-N 275.312 0.686 10 10 CCCE Nc1ccc(CC(=O)N2C[C@@H]3C[C@H](C2)[C@H](O)[C@H]3O)cc1 2182525802 IGHKGDSPOBMHQS-JLUCKKNBSA-N 276.336 0.011 10 10 CCCE O=C1CC[C@@H]2CN(C(=O)c3cc(O)c(O)c(O)c3)C[C@@H]12 2188925488 URKNVNRJRNVWLG-VXNVDRBHSA-N 277.276 0.855 10 10 CCCE NCc1ccc(N2C[C@H]3COC[C@@H](C2)[C@H]3O)c(F)c1F 2189071357 KUMVRJPCVDEWCI-WDAIWFPHSA-N 284.306 0.867 10 10 CCCE C[C@@H](N)c1ccc(N2CC3(C2)OC[C@@H](O)[C@H]3O)c(F)c1 2183627232 OSXRMRGTOMZWIL-BZHVJNSISA-N 282.315 0.156 10 10 CCCE NC1CCN(S(=O)(=O)Nc2ccc(O)cc2)CC1 2042126870 NCWPTJDSOVRTDX-UHFFFAOYSA-N 271.342 0.472 10 10 CCCE CN(CCN=[N+]=[N-])C[C@@H](O)CN1CCCCC1=O 2050537387 DYHIUKWKTCYXKA-SNVBAGLBSA-N 255.322 0.602 10 10 CCCE CN[C@H]1CCc2cc(N3CC(OCC(N)=O)C3)ccc21 2184728665 AJAQFTCFTIKRTK-AWEZNQCLSA-N 275.352 0.584 10 10 CCCE N[C@H]1CCOC[C@H]1C(=O)NCc1ccccc1O 2055958577 VSDUQAHYLWYAOB-MNOVXSKESA-N 250.298 0.372 10 10 CCCE CNCCOCCNC(=O)Nc1ccc(N)cc1 2071566071 WEKOYROWSNJVHZ-UHFFFAOYSA-N 252.318 0.626 10 10 CCCE O=C(CN1C[C@@H]2CC[C@]2(CO)C1)c1ccc(O)c(O)c1 2198877811 MUIFCCQMYCANME-XHDPSFHLSA-N 277.320 0.985 10 10 CCCE NC[C@@H]1C[C@@H](CNC(=O)c2ccc(O)c(O)c2)CO1 2102872029 DSAZMSGXCZSLNW-WPRPVWTQSA-N 266.297 0.191 10 10 CCCE C[S@](=O)(=NC(=O)c1cc(O)nc(O)c1)[C@H]1CCNC1 2102807545 UCZNCKFJZCCYNO-WPCRTTGESA-N 285.325 0.093 10 10 CCCE CO[C@H]1CC(NCCCN=[N+]=[N-])(C(=O)O)C[C@@H]1OC 2109828688 VSKXKUBSLLLNKQ-IUCAKERBSA-N 272.305 0.924 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)[C@H]1[C@H]2CNC[C@H]21 2091764125 OSDBCPPOJPSZOF-DDFAGTSDSA-N 262.309 0.222 10 10 CCCE COc1ccc(N2CC[C@@H]3CS(=O)(=O)C[C@@H]32)c(N)c1 2094936921 HBZSAGXCQQHSEF-RNCFNFMXSA-N 282.365 0.901 10 10 CCCE O=[N+]([O-])c1ccc(N2C[C@H]3[C@H](O)C[C@H]3C2)cc1CO 2095046079 DDALMKRDJXBKEX-RLCGTCKNSA-N 264.281 0.904 10 10 CCCE O=[N+]([O-])c1ccc(N2CC(N3CCC3)C2)cc1CO 2095925863 MVVZFXQVHYQHNY-UHFFFAOYSA-N 263.297 0.981 10 10 CCCE C[C@@H](NC1CN(CC(=O)O)C1)c1ccc(O)cc1O 2113033572 PYGRSBLCARYBMN-MRVPVSSYSA-N 266.297 0.517 10 10 CCCE C[C@H](c1ccccc1O)N(C)C(=O)C1(CO)CNC1 2114514843 CEPBYNJVCAZXSJ-SNVBAGLBSA-N 264.325 0.494 10 10 CCCE C[C@@H](NC1CN(C2COC2)C1)c1ccc(O)cc1O 2114714330 SSLUJBRYCUQYPT-SECBINFHSA-N 264.325 0.831 10 10 CCCE COc1cc(N2CCOC[C@H]2CN(C)C)ccc1CO 2204541250 KFIZGFNOXGDUBH-CQSZACIVSA-N 280.368 0.954 10 10 CCCE Cc1cccc(CNC(=O)[C@@H]2CC[C@@H](C(=O)O)O2)c1O 2204609559 JZUXRXGYEPOTHS-QWRGUYRKSA-N 279.292 0.949 10 10 CCCE CN1CCc2cc(N3CCC[C@@](O)(C(N)=O)C3)ccc21 2235121570 KMOJLHHYJPYOEV-HNNXBMFYSA-N 275.352 0.496 10 10 CCCE COC[C@@H]1[C@H](O)[C@@H](O)CN1c1ccc(OC)c(C)c1 2226862846 YWYVSKJHUGKMPY-DYEKYZERSA-N 267.325 0.560 10 10 CCCE COc1ccc(N2CCN(CCO)C(=O)C2)cc1Cl 2226923996 DHBXFCHVZWXOLD-UHFFFAOYSA-N 284.743 0.990 10 10 CCCE COc1cc(OC)c(N2CCO[C@H](CN)C2)c(OC)c1 2287130893 MHIAPIRLCDHTJR-LLVKDONJSA-N 282.340 0.876 10 10 CCCE Cc1cc(CN)ccc1N1CC2(CNC(=O)CO2)C1 2274017303 DCPJCKYTMVKLDI-UHFFFAOYSA-N 261.325 0.159 10 10 CCCE CC1(C)C(=O)NC[C@@H]1NC(=O)c1ccc(O)c(O)c1 2266461742 RVWMSDBUYFNGAG-JTQLQIEISA-N 264.281 0.352 10 10 CCCE N[C@@H]1C[C@H]2C[C@H](C(=O)C(=O)C[C@H]3C[C@H](N)C3)C[C@@H]12 2311798903 ZYHKPLUJXDWOGY-KCUSNBPKSA-N 250.342 0.625 10 10 CCCE CSc1cc(N2CC(=O)NC(=O)C2)ccc1CN 2328549514 YTROFLDYUQBXPC-UHFFFAOYSA-N 265.338 0.330 10 10 CCCE COc1cccc(CN2C[C@@H]3[C@H](C2)CS3(=O)=O)c1O 2336554658 VNJZUDZNMGAVMA-ZYHUDNBSSA-N 283.349 0.630 10 10 CCCE CC(=O)N1CCCN(c2ccc3c(c2)NC(=O)[C@@H]3N)CC1 105459618 COFAPHLPXCFAHT-CQSZACIVSA-N 288.351 0.697 10 10 CCCE C[n+]1ccc(Cc2c([N+](=O)[O-])cnc3ncnn23)cc1 20101912 VZVZOGOVHQNNJH-UHFFFAOYSA-N 271.260 0.448 10 10 CCCE C[C@H]1C[C@H](N)CN(C(=O)c2cccc(O)c2O)C1 126710505 UJNQQOYTSGOWOX-IUCAKERBSA-N 250.298 0.907 10 10 CCCE C[C@H](N)[C@H]1CCN(C(=O)c2cccc(O)c2O)C1 126727981 JFQPLFRCWNLCHH-IUCAKERBSA-N 250.298 0.907 10 10 CCCE O=C(O)c1cc(O)ccc1NS(=O)(=O)c1cn[nH]c1 48847224 BMEGHSZWKBEEJL-UHFFFAOYSA-N 283.265 0.614 10 10 CCCE CN1C[C@@H](NCc2cccc(O)c2O)CCC1=O 84063111 OECDAZOSQWQDDQ-JTQLQIEISA-N 250.298 0.808 10 10 CCCE CN1CCC[C@](NCCCN=[N+]=[N-])(C(N)=O)CC1 90260314 XMSCKWSELMNQKM-LLVKDONJSA-N 254.338 0.616 10 10 CCCE N[C@](CO)(C(=O)O)c1c(O)cccc1Br 238590178 GFPXDIQPVODSQR-VIFPVBQESA-N 276.086 0.386 10 10 CCCE CCCS(=O)(=O)NC1CN(c2ccc(CNC)cc2)C1 2165568955 JRUHGMRWYHICAQ-UHFFFAOYSA-N 297.424 0.924 10 10 CCCE CC(=O)c1cc(F)cc(CN2CC[C@@H](O)[C@@H](CO)C2)c1O 396850719 KRWYKEYWDUWOJO-BXUZGUMPSA-N 297.326 0.909 10 10 CCCE O=C(NC[C@@H]1C[C@@H](C(=O)O)CO1)c1ccc(O)c(O)c1 713916190 AGLYJEIDXJLOAG-BDAKNGLRSA-N 281.264 0.317 10 10 CCCE Nc1ccc(CCC(=O)N2CC(CO)(CO)C2)cc1 721412105 FYKQTTJSRDCARK-UHFFFAOYSA-N 264.325 0.015 10 10 CCCE COC(=O)NCCC(=O)NCc1c(O)cccc1F 928712743 YRDDIDLFRVGATN-UHFFFAOYSA-N 270.260 0.894 10 10 CCCE O=S(=O)(NCc1c(O)cccc1F)N1CCC1 921452524 ROJPNPUUBCIMOF-UHFFFAOYSA-N 260.290 0.571 10 10 CCCE Cc1cc(N2CC(N3CCN(C)CC3)C2)ccc1CN 697953338 IENQUDBHUNYCHV-UHFFFAOYSA-N 274.412 0.890 10 10 CCCE CO[C@H]1CS(=O)(=O)C[C@@H]1N(C)c1ccc([C@H](C)O)cc1 696824613 RSSOHVPKHBQJHT-BPNCWPANSA-N 299.392 0.988 10 10 CCCE Oc1ccc2c(c1O)[C@@H]([C@@H]1CSCN1)NCC2 83724322 XBYFQQJZBBBULE-GZMMTYOYSA-N 252.339 0.947 10 10 CCCE CN(CC1CC(O)C1)S(=O)(=O)Cc1ccc(N)cc1 91459745 BDKSWJGEJWPLBX-UHFFFAOYSA-N 284.381 0.801 10 10 CCCE CS[C@@H](CO)[C@@H](C)NC(=O)Cc1ccc(O)c(O)c1 1636196853 JBWVZTRDMRUJIB-PELKAZGASA-N 285.365 0.869 10 10 CCCE C[C@@H]1CN(CC(=O)c2ccc(O)c(O)c2)CC[S@@]1=O 2115351306 DXFKTSGBNYJVHA-HOGDKLEQSA-N 283.349 0.733 10 10 CCCE Nc1[nH]nnc1-c1nc(-c2ccc(O)c(O)c2)no1 2117503956 UTHRJAXEJCVIML-UHFFFAOYSA-N 260.213 0.515 10 10 CCCE C[C@]1(NS(=O)(=O)Cc2ccc(N)cc2)CCC[C@H]1O 2126313651 MFDWPXDNUXLGTN-OLZOCXBDSA-N 284.381 0.992 10 10 CCCE Nc1ccc(NC(=O)CN2CC[C@@H]3[C@@H](O)C[C@@H]32)cc1 2121674116 VIQVTXWBPQRFPM-AVGNSLFASA-N 261.325 0.662 10 10 CCCE N[C@H]1CCCc2cc(N3CC[C@](O)(CO)C3)ccc21 2128271691 PCSRISANRMGTFT-LSDHHAIUSA-N 262.353 0.956 10 10 CCCE OC[C@@H]1CN(c2ccc3c(c2)CC[C@H]3O)C[C@H]1CO 2128320175 AXCVIEGWPIVKBU-SLEUVZQESA-N 263.337 0.703 10 10 CCCE CN(Cc1ncc[nH]1)C(=O)c1cc(O)c(O)c(O)c1 2132348714 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CCOc1nc(NC(=O)c2ccc(O)c(O)c2)n[nH]1 233801939 UPSMQJPHUXRNSE-UHFFFAOYSA-N 264.241 0.867 10 10 CCCE NCC1(CNC(=O)CCOc2ccc(N)cc2)CC1 1876508867 IHNATAMDZCWNBZ-UHFFFAOYSA-N 263.341 0.893 10 10 CCCE Nc1ccc(OCC(=O)N[C@@H]2CCCNCC2)cc1 1876518903 HRBAKNPXSPFYOS-GFCCVEGCSA-N 263.341 0.906 10 10 CCCE C[C@H]1CNC[C@@H]1CNC(=O)COc1ccc(N)cc1 1876522652 DBZJNEOECGOVGJ-WDEREUQCSA-N 263.341 0.619 10 10 CCCE OC[C@@H](C[C@H]1CCOC1)NCc1ccc(O)c(O)c1 1883200959 GHUAXMRYEQEJKI-VXGBXAGGSA-N 267.325 0.975 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3C[C@@H]4OCCO[C@@H]4C3)ccc21 2149761173 PPMVIQVEORTZMN-XQQFMLRXSA-N 275.308 0.243 10 10 CCCE C[C@H](NC(=O)Cc1ccc(N)cc1)[C@H]1CCS(=O)(=O)C1 2146107777 ISCLPZNTLDPXRI-JQWIXIFHSA-N 296.392 0.751 10 10 CCCE COC(=O)C[C@H](N)c1c(O)cccc1S(C)(=O)=O 260751665 RYILOCZHJJYMQX-ZETCQYMHSA-N 273.310 0.359 10 10 CCCE C[C@@H]1COCCN1C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 40460125 ADKZBFOLYZWLDS-KOLCDFICSA-N 280.324 0.215 10 10 CCCE Nc1ccc(NC(=O)CCN2CC(N3CCC3)C2)cc1 2152251951 SLKXIJMZLMERCM-UHFFFAOYSA-N 274.368 0.987 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN1C[C@H]1CCS(=O)(=O)N1 2009443134 NDULXWSPVRIGIW-RKDXNWHRSA-N 259.335 0.453 10 10 CCCE C[C@H](N)CS(=O)(=O)N[C@@H](C)c1ccccc1O 2017525880 WGDZLTJAUFNYTK-IUCAKERBSA-N 258.343 0.720 10 10 CCCE NCc1ccc(N2C[C@@H](CO)C[C@@H]2CO)cc1F 2029413926 KISCXBNCYWYLJV-JOYOIKCWSA-N 254.305 0.464 10 10 CCCE CN1C(=O)C[C@H](NCc2ccc(Cl)cc2O)C1=O 2029657025 MCXZAWYZPIVKNC-VIFPVBQESA-N 268.700 0.893 10 10 CCCE NCc1ccc(N2CCC([C@H](O)CO)CC2)cc1 2035040091 HFRPUWSCHRSFKW-CQSZACIVSA-N 250.342 0.715 10 10 CCCE Cc1cc(N2CCN3C[C@H](O)C[C@H]3C2)ccc1CN 405271604 SBHGJMNYUSOJPM-LSDHHAIUSA-N 261.369 0.709 10 10 CCCE COc1cc(Br)cc([C@@H]2NCC(=O)N2)c1O 309910300 MHRKYTJJGJFSQT-SNVBAGLBSA-N 287.113 0.881 10 10 CCCE CN1C[C@@H]2C[C@H](C1)CN2C(=O)COc1ccc(N)cc1 2160690888 OCEOXGLDICUSKZ-YPMHNXCESA-N 275.352 0.810 10 10 CCCE COc1cccc(O)c1CN1C[C@@H](N)C[C@@H](C(N)=O)C1 2160728073 GOEHFHRUZXHTMW-ZJUUUORDSA-N 279.340 0.035 10 10 CCCE CN(Cc1ccc(N)cc1)c1ccc2n[nH]c(=O)n2n1 90641287 UGXYVFZFYMCGOZ-UHFFFAOYSA-N 270.296 0.636 10 10 CCCE Cc1cc(N2CC[C@H](NS(C)(=O)=O)C2)ccc1CN 703003828 SFVIPPZCKSKIBH-LBPRGKRZSA-N 283.397 0.582 10 10 CCCE C[C@@H]1CN(C[C@@H](O)COc2ccc(N)cc2)C[C@H]1O 387844157 DXTNXDOSBQSEPR-MPKXVKKWSA-N 266.341 0.321 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N3CCO[C@H](CF)C3)cc21 2172040514 GCOMNPZNLGOCCF-MFKMUULPSA-N 279.315 0.838 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3CCC[C@H](O)CC3)ccc21 378701753 KCXGCZUOZXXPKL-GXFFZTMASA-N 261.325 0.990 10 10 CCCE NCc1ccc(N2C[C@@H](O)C[C@H]2CO)c(F)c1F 698183617 UOHQQGGLYPYTIU-IUCAKERBSA-N 258.268 0.355 10 10 CCCE C[C@]1(CO)C[C@H](O)CN1c1c(F)cc(CO)cc1F 698158752 WJGYHWZNKGYALR-TVQRCGJNSA-N 273.279 0.779 10 10 CCCE C[C@H](O)CN(CCO)C(=O)CCc1ccc(N)cc1 382267175 BDCSVBQYKXPMAG-NSHDSACASA-N 266.341 0.403 10 10 CCCE CN(Cc1cnn(C)n1)c1ccc(CO)cc1[N+](=O)[O-] 2172409635 WTYKICZHIJFUHK-UHFFFAOYSA-N 277.284 0.852 10 10 CCCE CCN1CC[C@H](NC(=O)c2ccc(O)c(O)c2)C1 389974410 ILDSUHFKAIEMOV-JTQLQIEISA-N 250.298 0.922 10 10 CCCE O=C(O)[C@@H]1CN(C(=O)c2cccc(O)c2O)CCS1 699257880 IQOWDFFDCGASNW-VIFPVBQESA-N 283.305 0.740 10 10 CCCE O=S(=O)(C[C@@H]1CCCNC1)NCc1ccccc1O 722213396 CLXFSZWOOBYLLU-LLVKDONJSA-N 284.381 0.811 10 10 CCCE Nc1ccc(NC(=O)NCCc2nc(=O)o[nH]2)cc1 392243470 BOJYLMLMSDYVNA-UHFFFAOYSA-N 263.257 0.309 10 10 CCCE COc1ccc(O)c(CNCCCc2nn[nH]n2)c1 392573607 GPUSVGBXCBWQFV-UHFFFAOYSA-N 263.301 0.636 10 10 CCCE CO[C@@H]1COC[C@H]1N(C)c1ccc2c(c1)NC(=O)[C@@H]2N 2177272919 YMZQOFFKYFMEBF-JHJVBQTASA-N 277.324 0.489 10 10 CCCE Oc1ccc(CNC[C@@H]2CN3CCN2CC3)c(O)c1 394774993 ZLFHFSYBNCYINS-GFCCVEGCSA-N 263.341 0.187 10 10 CCCE C[C@H](C(=O)Nc1ccc(N)cc1)[S@@](=O)CCC(N)=O 399448708 YWSYAMHFUGVMRX-YLVJLNSGSA-N 283.353 0.220 10 10 CCCE CC[C@@H](O)[C@H](C)NC(=O)c1cnn2c(O)cc(C)nc12 2062369162 RBEBAFPBVPVLDO-WCBMZHEXSA-N 278.312 0.633 10 10 CCCE CCN(CCN=[N+]=[N-])C(=O)COCCOCCOC 2337776007 BFXPKHVPSVJMRG-UHFFFAOYSA-N 274.321 0.825 10 10 CCCE CN(C(=O)COc1ccc(N)cc1)C1COCCOC1 2188059490 VNLOBOPWOMXICQ-UHFFFAOYSA-N 280.324 0.521 10 10 CCCE O=C(N[C@H]1CN2CCC1CC2)c1cc(O)c(O)c(O)c1 2188874697 JZLIARKPIGNWRE-JTQLQIEISA-N 278.308 0.627 10 10 CCCE Nc1ccc(NC(=O)CCN2C[C@@H]3C[C@@H]3[C@@H]2CO)cc1 2198994553 IUXNORIGUUOMEP-BPNCWPANSA-N 275.352 0.910 10 10 CCCE C[C@@H]1NCC[C@@H]1NS(=O)(=O)CCOc1ccc(N)cc1 2191705017 ZJMRYTUNLBTWKH-GWCFXTLKSA-N 299.396 0.317 10 10 CCCE C[C@H](F)[C@H](NC(=O)Cc1ccc(N)cc1)C(=O)O 2069679283 BJTYLTZDIZLXME-CPCISQLKSA-N 254.261 0.739 10 10 CCCE CO[C@@H]1CNC[C@H]1NC(=O)Nc1ccc(N)cc1 2071565923 VIQWTRCVQLJPNZ-GHMZBOCLSA-N 250.302 0.377 10 10 CCCE NC(=O)C1[C@H]2CN(c3ccc(CO)cc3Cl)C[C@H]12 2081419488 WHLHBDVAEQZUEO-IUCAKERBSA-N 266.728 1.000 10 10 CCCE CNCc1ccc(N(C)CCC(N)=O)cc1OC 2084016070 JQYLYKSYODSTMO-UHFFFAOYSA-N 251.330 0.726 10 10 CCCE CN(C)C[C@@H](N)[C@H](O)c1ccc2c(c1)CCCN2C 2106820276 INDBABIPCBDDEP-UKRRQHHQSA-N 263.385 0.991 10 10 CCCE O=C(c1cccc(O)c1O)N1CCC2(CC1)CNC2 2088830847 ZAINJQKEYCYRDA-UHFFFAOYSA-N 262.309 0.923 10 10 CCCE C[C@H](N)c1ccc(N2C[C@]3(CO)C[C@]3(CO)C2)cc1 2090114016 PJUAFPIDROFKQB-TUKIKUTGSA-N 262.353 0.887 10 10 CCCE CN(CC(CO)CO)c1ccc(CO)cc1[N+](=O)[O-] 2094027763 UYLPKBRTAMSWMR-UHFFFAOYSA-N 270.285 0.124 10 10 CCCE CN1CCO[C@@H]2CN(CCc3ccc(N)cc3)C[C@@H]21 2097695969 KHCQONBYQZDLNW-LSDHHAIUSA-N 261.369 0.826 10 10 CCCE CCn1nnnc1CNC(=O)c1cccc(O)c1O 2113087663 BFDWQJJXSSKXPF-UHFFFAOYSA-N 263.257 0.034 10 10 CCCE COc1cccc(CN2CC[C@](CO)(C(=O)O)C2)c1O 2201085173 DRHUUVVIAISART-AWEZNQCLSA-N 281.308 0.670 10 10 CCCE NC(=O)C1[C@@H]2CN(c3cc4c(cc3N)OCCO4)C[C@@H]12 2201285694 VGMHBPYIRWLPDN-HTQZYQBOSA-N 275.308 0.208 10 10 CCCE Cc1ccc(CN2CC(n3cc(CN)nn3)C2)c(O)c1 2204639450 LRHCSVOHVGPYRX-UHFFFAOYSA-N 273.340 0.808 10 10 CCCE Cc1cccc(CNC(=O)C[C@H]2CNCCOC2)c1O 2204620273 ANYZVNSVGCZBPV-LBPRGKRZSA-N 278.352 0.943 10 10 CCCE COc1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CF)c(C)c1 2219581980 PWNZLFMSDCGHAP-AGIUHOORSA-N 255.289 0.884 10 10 CCCE CO[C@H](CNC(=O)c1cc(O)c(O)c(O)c1)CSC 2225795005 KDYSRAOCXHGCNP-MRVPVSSYSA-N 287.337 0.911 10 10 CCCE C[C@]1(CO)C=CCN1c1cc2c(cc1F)[C@@H](O)C(=O)N2 2237168324 BMHYSEGEYCFXNL-TZMCWYRMSA-N 278.283 0.938 10 10 CCCE COc1ccc(N2CC(CS(C)(=O)=O)C2)c(CO)c1 2227711390 OUJLLUOKMRPNHI-UHFFFAOYSA-N 285.365 0.668 10 10 CCCE N[C@H]1[C@H]2C[C@@H](CN(Cc3cc(F)ccc3O)C2)[C@H]1CO 2239330564 QWDGRNIDQNTUIU-GVAXYQGFSA-N 280.343 0.919 10 10 CCCE Cc1cc(N2CC[C@@](O)(CO)C2)ccc1[C@H](C)N 2257463442 BHZOAWCYNICCKO-FZMZJTMJSA-N 250.342 0.948 10 10 CCCE C[C@H](N)c1ccc(N2CC[C@H]2[C@H](O)CO)c(F)c1 2258336520 DOHDOANFWPYDTF-AQUOVQTQSA-N 254.305 0.777 10 10 CCCE CC1(CS(=O)(=O)NCc2ccc(N)cc2)COC1 2259033202 RODLXIMUHSRNKK-UHFFFAOYSA-N 270.354 0.725 10 10 CCCE C[C@H](O)c1cc(F)c(N2CC[C@H]2[C@@H](O)CO)c(F)c1 2270681536 YBVKNUWYILXKKM-QILRFPOHSA-N 273.279 0.950 10 10 CCCE OC[C@@H]1[C@@H](O)[C@@H](O)CN1c1ccc(OC(F)F)cc1 2278527447 YOGLNONPPDXQQZ-OUAUKWLOSA-N 275.251 0.191 10 10 CCCE CNC[C@@]1(O)CCCN(C(=O)c2ccc(O)c(O)c2)C1 2286325723 KTGHUDBCHDZMEB-AWEZNQCLSA-N 280.324 0.284 10 10 CCCE CC[C@@]1(NC(=O)Cc2ccc(O)c(O)c2)CCNC1=O 2288921493 GDGKDYZQGUZDCR-CQSZACIVSA-N 278.308 0.425 10 10 CCCE CSc1ncc(CNS(=O)(=O)[C@H]2CC[C@H]2N)s1 2300766147 QFKMKCLCKMXKHM-SFYZADRCSA-N 293.439 0.774 10 10 CCCE CN(CCN1CCCC1)C(=O)c1cc(O)c(O)c(O)c1 1148583988 JRSPSCVKWVCVOV-UHFFFAOYSA-N 280.324 0.971 10 10 CCCE CNCc1ccc(N2CC([C@H](O)CO)C2)c(F)c1 2315166401 MLDKSLMDGGJVKS-CYBMUJFWSA-N 254.305 0.335 10 10 CCCE CN(C(=O)COC[C@H]1CCN1C)c1ccc(N)cc1 2335348050 CCPMPCAQZIXVBW-CYBMUJFWSA-N 263.341 0.952 10 10 CCCE CS(=O)(=O)CC(=O)N1CCc2cc(O)c(O)cc2C1 2341196680 HHCBGDZRFLCUCO-UHFFFAOYSA-N 285.321 0.027 10 10 CCCE CCN(C)S(=O)(=O)N1CCc2cc(O)c(O)cc2C1 2341215867 DWUIEVSSSBQISN-UHFFFAOYSA-N 286.353 0.652 10 10 CCCE CO[C@@H]1COCCN(C(=O)c2ccc(O)c(O)c2)C1 2351656430 PCDWFQZJTWYRSH-JTQLQIEISA-N 267.281 0.585 10 10 CCCE N[C@@H]1CCc2cc(N3C[C@@H]4C[C@H]3[C@@H](O)[C@H](O)C4)ccc21 2356171871 BBXIEPKDSQSDOR-DGRRYNSKSA-N 274.364 0.953 10 10 CCCE CC(C)N(CC(N)=O)CC(=O)c1ccc(O)c(O)c1 50147019 HARZEPKUGFDBOY-UHFFFAOYSA-N 266.297 0.476 10 10 CCCE CN(C)CCN(C)CC(=O)Nc1ccc(N)cc1 111129404 NDXKYAWYZXHUTK-UHFFFAOYSA-N 250.346 0.701 10 10 CCCE CNCCCN(C)CC(=O)c1ccc(O)c(O)c1 124707139 PLQLJNBDAJDEBY-UHFFFAOYSA-N 252.314 0.822 10 10 CCCE CS(=O)(=O)c1ccc(O)c([C@@H](N)CC(=O)O)c1 213299380 NJNSSNYMZGJYIK-QMMMGPOBSA-N 259.283 0.270 10 10 CCCE NCc1ccc(N2[C@H]3CC[C@H]2[C@H](O)[C@H](O)C3)c(F)c1 2133919230 JJLOIOFUFYEQAG-WTDIUWLJSA-N 266.316 0.747 10 10 CCCE C[C@@H](c1cc(O)ccc1O)N(C)CC(=O)N1CCNCC1 38030881 ZVFKCOPAMHYOLC-NSHDSACASA-N 293.367 0.522 10 10 CCCE Cc1cc([C@@H](C)O)ccc1N1CCOC[C@H]1C(N)=O 2232091391 GPPIJKYFVRIMSZ-MFKMUULPSA-N 264.325 0.739 10 10 CCCE CN(C)C(=O)CCCN(CC(N)=O)Cc1ccc(N)cc1 43453593 ZQUCJBXEFZUQOR-UHFFFAOYSA-N 292.383 0.425 10 10 CCCE COc1ccc(O)c(CN[C@@H](C)C(=O)N2CCOCC2)c1 228095651 ORABPDZBIHRKKP-NSHDSACASA-N 294.351 0.738 10 10 CCCE O=C(CN1CCC[C@@H](CO)C1)c1ccc(O)c(O)c1 49934107 WGRJOVHXJCYQLU-SNVBAGLBSA-N 265.309 0.985 10 10 CCCE CNC(=O)[C@@H]1CNCCN1Cc1ccc2c(c1)CCN2C 89082959 TXCUKIIVGBDQIF-HNNXBMFYSA-N 288.395 0.199 10 10 CCCE NCc1csc(CN2C(=O)CSC2=S)n1 83433129 NQUQQHIGMCXQOA-UHFFFAOYSA-N 259.381 0.962 10 10 CCCE COC(=O)c1cccc(N)c1N[C@H]1CCS(=O)(=O)C1 130019005 SQTWYMUBZGUYGH-QMMMGPOBSA-N 284.337 0.654 10 10 CCCE NCc1ccc(N2C[C@H](O)[C@@H](O)C2)c(Br)c1 236232815 DTGVFACZNWANIT-QWRGUYRKSA-N 287.157 0.450 10 10 CCCE C[C@H](c1ccc(O)cc1O)N1CCNC[C@H]1C(=O)N(C)C 251568105 UENQZJWUTTWING-MFKMUULPSA-N 293.367 0.521 10 10 CCCE Cc1nn(C)c(=O)c(C(=O)NCCCN=[N+]=[N-])c1C 701305516 IEFSGSPPKMEPNM-UHFFFAOYSA-N 264.289 0.827 10 10 CCCE COC[C@@](C)(O)C(=O)NCc1c(O)cccc1F 928704565 CCWLUSXCJYXSLX-GFCCVEGCSA-N 257.261 0.545 10 10 CCCE NCc1ccc2c(c1)OCCN2CC(=O)N1CCOCC1 74338224 VSYCOBYXZIWFAK-UHFFFAOYSA-N 291.351 0.203 10 10 CCCE Nc1ccc(OCC(=O)N2C[C@@H]3C[C@H](CN3)C2)cc1 1876443332 SALINVOOBKSTTL-PWSUYJOCSA-N 261.325 0.468 10 10 CCCE Cc1cc(O)ccc1NS(=O)(=O)c1cn(C)[nH]c1=N 1876472649 CCSSGQNHZKNBBJ-UHFFFAOYSA-N 282.325 0.647 10 10 CCCE Nc1ccc(NC(=O)N[C@@H]2CCOC[C@H]2CO)cc1 1878778060 LIAYXOGIOCTXRQ-BXKDBHETSA-N 265.313 0.788 10 10 CCCE C[C@H](O)[C@@H]1CCCN1C(=O)c1cc(O)c(O)c(O)c1 1879193230 SPRNBAGIBHMXCD-CBAPKCEASA-N 267.281 0.789 10 10 CCCE CN(CCN1CCNCC1)c1ccc2c(c1)OCO2 76362524 WXVHNGYZIYSFAR-UHFFFAOYSA-N 263.341 0.757 10 10 CCCE NC(=O)c1ncccc1C(=O)NCc1c(O)cccc1O 1304053475 LSRLSAIVGZQLGW-UHFFFAOYSA-N 287.275 0.522 10 10 CCCE COCCNC(=O)CN(C)c1ccc(CN)c(F)c1 135224484 BBJLQRGPWTZRSP-UHFFFAOYSA-N 269.320 0.483 10 10 CCCE CN(C)c1ccc(C=CC(=O)NCC[C@H](O)CO)cc1 1963325190 KUWPSFNRMKZOFU-AWEZNQCLSA-N 278.352 0.625 10 10 CCCE N[C@H](c1nnc(C2CNC2)o1)c1cccc(O)c1O 83452509 HJXUCSJBWNNXEQ-VIFPVBQESA-N 262.269 0.216 10 10 CCCE CC[C@@H]1C(=O)NC(=O)CN1c1ccc(CNC)cc1C 97320288 PUEJMANUAZSNQK-GFCCVEGCSA-N 275.352 0.956 10 10 CCCE Nc1ccc(NC(=O)CN2CC[C@](F)(CO)C2)cc1 1917065148 MPFQJHDOHGHLQI-CYBMUJFWSA-N 267.304 0.614 10 10 CCCE Nc1ccc(OC[C@H](O)CN2CCC23COC3)cc1 2115223730 WBCNOORGVWNVEA-GFCCVEGCSA-N 264.325 0.483 10 10 CCCE Cc1ccc(O)c([C@H](C)N[C@@H]2CCO[C@H]2C(N)=O)c1 2117462077 DQRITHWNVMSTFR-UFGOTCBOSA-N 264.325 0.994 10 10 CCCE Cc1cccc(O)c1CN1C[C@@H](O)[C@@H](CC(=O)O)C1 2117725904 WXSYUDOWMPKICV-GXFFZTMASA-N 265.309 0.968 10 10 CCCE COC[C@](C)(O)C(=O)NCc1c(O)cccc1O 1456235825 OOYAHOMBXSNFHT-LBPRGKRZSA-N 255.270 0.111 10 10 CCCE Nc1ccc(NC(=O)CCN2CC=C[C@@H]2CO)cc1 2119815671 MONGGOLENPJXPU-CYBMUJFWSA-N 261.325 0.830 10 10 CCCE C[C@H]1CO[C@@H](CO)CN1CCc1ccc(N)cc1 167858008 MRGPQDGXPFTJMT-SMDDNHRTSA-N 250.342 0.893 10 10 CCCE CO[C@@H]1COCC[C@@H]1N(C)C(=O)Cc1ccc(O)c(O)c1 1636779605 MOKYVTJHSDKWLD-SMDDNHRTSA-N 295.335 0.903 10 10 CCCE [N-]=[N+]=NC1CN(CCCN2CCCS2(=O)=O)C1 1912206754 HQKPDEGHJOJQAU-UHFFFAOYSA-N 259.335 0.407 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCCN([C@H]2CS(=O)(=O)C[C@@H]2O)C1 1912211466 XFGQVSYEFLBBRB-DCAQKATOSA-N 288.373 0.557 10 10 CCCE NCc1ccc(N2C[C@@H]3C[C@H](C2)[C@@H](O)[C@@H]3O)c(F)c1 2126149822 FAWKCLYSJDDVIO-RDBQEKCUSA-N 266.316 0.462 10 10 CCCE COC(=O)[C@@H](C)CS(=O)(=O)NCC1(CN=[N+]=[N-])CC1 2127234173 BFGBZDXZMQPNBP-QMMMGPOBSA-N 290.345 0.805 10 10 CCCE C[C@@H]1OCC[C@@]1(O)CNC(=O)Cc1ccc(O)c(O)c1 1556391441 KIGASSRKLHZMAL-LKFCYVNXSA-N 281.308 0.296 10 10 CCCE NC(=O)[C@@H](NC[C@@H]1CCCO1)c1ccccc1O 166109421 JECYDRCFJLJVJD-CABZTGNLSA-N 250.298 0.687 10 10 CCCE COc1ccc(O)c([C@@H](C)NC(=O)Cn2cn[nH]c2=O)c1 156402811 RLJMVTRZNUZRTE-MRVPVSSYSA-N 292.295 0.163 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC[C@@H](O)[C@H]1C1CC1 2130613514 YIYMHUPMTQGIDJ-BXKDBHETSA-N 264.281 0.478 10 10 CCCE CN(C)c1ccc(CNC(=O)N2CC(C(=O)O)C2)cc1 857097488 SIVVEFFRKCUGDK-UHFFFAOYSA-N 277.324 0.979 10 10 CCCE Cc1cc(CNC(=O)c2cc(O)c(O)c(O)c2)n[nH]1 1148589560 BWBMCSQWRFQOPN-UHFFFAOYSA-N 263.253 0.765 10 10 CCCE CC[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)OC 1148924630 TZIRLEFMLNFSJJ-SECBINFHSA-N 267.281 0.708 10 10 CCCE COc1cc(N(C)[C@H]2CCC(=O)NC2)ccc1CN 2139697394 UROWRQASKNTVAZ-LBPRGKRZSA-N 263.341 0.869 10 10 CCCE CNCc1ccc(N2CC[C@@H](C(N)=O)C2)cc1OC 2139699358 UONUGNVRRFXEJD-LLVKDONJSA-N 263.341 0.726 10 10 CCCE COC[C@H](CCO)NCc1ccc(O)c(O)c1O 226756846 PODQNBTVDICUOQ-VIFPVBQESA-N 257.286 0.290 10 10 CCCE C[C@@H]1CNCCN1C(=O)Cc1ccc(O)c(O)c1 1969080443 OOGLESCSJCFJMD-SECBINFHSA-N 250.298 0.461 10 10 CCCE C[C@@H]1CNC[C@H](CC(=O)NCc2ccccc2O)O1 1969154503 NRAHVXCYOBXJND-PWSUYJOCSA-N 264.325 0.775 10 10 CCCE CN(C[C@@H]1COCCO1)c1ccc2c(c1)NC(=O)[C@@H]2N 2143685456 HSVGNEMLDPEZBM-ZWNOBZJWSA-N 277.324 0.490 10 10 CCCE NCc1cc(F)c(N2C[C@@H](CCO)[C@@H](CO)C2)c(F)c1 2149899576 AUFCEKDTMWNDHF-GHMZBOCLSA-N 286.322 0.851 10 10 CCCE O=C(Nc1onc2c1CNCC2)c1cccc(O)c1O 2145438155 VFUFRAHDMRAIOE-UHFFFAOYSA-N 275.264 0.984 10 10 CCCE CN(CC(=O)NC[C@@H]1CCCO1)Cc1ccc(N)cc1 2148892730 YJBPIOQNYTVWGJ-AWEZNQCLSA-N 277.368 0.996 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CCNC(=O)C(F)(F)C1 2146747663 HQGPPZDGWXGRAO-UHFFFAOYSA-N 286.234 0.305 10 10 CCCE CCNC(=O)CN(CC)C(=O)COc1ccc(N)cc1 42270753 RBTVHGYQYKDFAM-UHFFFAOYSA-N 279.340 0.632 10 10 CCCE C[S@](=O)(=NC(=O)c1cccc(O)c1O)N1CCNCC1 2153865682 ZSQWDYDUZALDKC-FQEVSTJZSA-N 299.352 0.156 10 10 CCCE N[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)CC12CCC2 2154923090 PUXOWRAEFJTBKZ-JTQLQIEISA-N 277.324 0.836 10 10 CCCE Cc1cccc(CN2CCN(CC(N)=O)CC2)c1O 179638167 DCLCRIHOALDUEZ-UHFFFAOYSA-N 263.341 0.304 10 10 CCCE C[C@@H]1C[C@@H](CO)CN1c1cc2c(cc1N)OCC(=O)N2 2156547928 BFXIXGBCBNWXRO-RKDXNWHRSA-N 277.324 0.807 10 10 CCCE CN(C)[C@H]1CN(c2ccc(CN)cc2Cl)C[C@@H]1O 2029432399 FLEPYXIQELEPGC-STQMWFEESA-N 269.776 0.910 10 10 CCCE C[C@@H](CNCc1ccc(O)c(O)c1O)N1CCC1 2041319773 WOLRNKQIPHVALB-VIFPVBQESA-N 252.314 0.987 10 10 CCCE COCCS(=O)(=O)CCN(C)c1ccc(N)cc1 311028178 PNTSSXQOMLXHMT-UHFFFAOYSA-N 272.370 0.766 10 10 CCCE C[C@H](N)[C@@](O)(c1ccn(C)c(=O)c1)C(F)(F)F 314736982 BKTBWMXENNMFIC-IMTBSYHQSA-N 250.220 0.482 10 10 CCCE Cc1c(NS(=O)(=O)Cc2ccc(N)cc2)nnn1C 701875772 BGGCFKRNZAWGKH-UHFFFAOYSA-N 281.341 0.648 10 10 CCCE COc1ccc(O)c(CN(C)[C@@H]2COC[C@@H]2C(=O)O)c1 90427793 VETJGRXWAXIMAE-NWDGAFQWSA-N 281.308 0.932 10 10 CCCE NC(=O)c1ccc(NCc2cc(N)ccc2O)nn1 95013822 OLGXEKHDIRPZLU-UHFFFAOYSA-N 259.269 0.475 10 10 CCCE CN1C(=O)NCC12CN(c1c(F)cc(CN)cc1F)C2 2177688046 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PIXDWCDGDPCYRE-NSHDSACASA-N 280.324 0.736 10 10 CCCE Nc1ccc(CNCCOC(=O)N2CCOCC2)cc1 2179224678 RNNJFFKZVBCCHO-UHFFFAOYSA-N 279.340 0.827 10 10 CCCE Cc1nn2c(O)cc(CC(=O)O)nc2c1C(=O)O 2080935751 WTJUHSWJVYIJFF-UHFFFAOYSA-N 251.198 0.069 10 10 CCCE CN(Cc1cnccn1)C(=O)c1cc(O)c(O)c(O)c1 2188867447 AFWWEQFOHMVBMT-UHFFFAOYSA-N 275.264 0.866 10 10 CCCE CN1CC[C@@H](CNC(=O)c2cc(O)c(O)c(O)c2)C1=O 2194705177 VKSXCLJTAYLDDI-ZETCQYMHSA-N 280.280 0.012 10 10 CCCE NC[C@]12CN(C(=O)Nc3ccc(N)cc3)C[C@H]1CCO2 2191517309 UKKIHRZILCHPRO-YGRLFVJLSA-N 276.340 0.850 10 10 CCCE COC[C@@H](CF)NS(=O)(=O)Cc1ccc(N)cc1 2053072461 AWKNVETXOWOIRC-LLVKDONJSA-N 276.333 0.673 10 10 CCCE COC(=O)c1cccc(N)c1N[C@@H]1CCNC[C@H]1CO 2191694461 FNZDIFIWOLUBRT-JOYOIKCWSA-N 279.340 0.438 10 10 CCCE [N-]=[N+]=NCCN1CCC[C@@H]1C(=O)N1CCNCC1 2054257248 GNPRMOPWBAEOTI-SNVBAGLBSA-N 252.322 0.193 10 10 CCCE CO[C@@H]1COC[C@@H]1NCc1ccc(O)c(O)c1O 2057144988 GOIUGTWUZVAMCW-WCBMZHEXSA-N 255.270 0.307 10 10 CCCE O=C(NCc1ncco1)c1cc(O)c(O)c(O)c1 2068621427 OJBNEFPRPPLAAE-UHFFFAOYSA-N 250.210 0.721 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CCO[C@@H]4COC[C@H]43)ccc21 2192664754 PRSSYSAOEANBCZ-UPJWGTAASA-N 275.308 0.243 10 10 CCCE C[C@H](CCC(=N)NO)NC(=O)c1ccc(O)c(O)c1 2104361292 CCWMGZMGBWNXKU-SSDOTTSWSA-N 267.285 0.952 10 10 CCCE COc1cccc(O)c1CN[C@@H]1CCN(C(N)=O)C1 2104439907 RGRCSUVYBGBSDQ-SECBINFHSA-N 265.313 0.643 10 10 CCCE COc1cc2c(cc1OC)N([C@H]1COC[C@@H]1O)CC2 2087169125 RUEVQJAUSKWRQD-RYUDHWBXSA-N 265.309 0.826 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CCn2nccc2C1 2088490986 WQSZNMOXOKESLF-UHFFFAOYSA-N 259.265 0.950 10 10 CCCE OCc1cc(F)c(N2C[C@H](CO)C[C@@H]2CO)c(F)c1 2089863564 LDMHAJGTVNRSOC-NXEZZACHSA-N 273.279 0.637 10 10 CCCE COc1ccc(N2C[C@@H](N)C[C@@H](O)C2)c([N+](=O)[O-])c1 2111817309 IIJPQVYJLZYBRM-DTWKUNHWSA-N 267.285 0.502 10 10 CCCE Nc1ccc(CC(=O)OC[C@H]2CCS(=O)(=O)C2)cc1 2092347638 ZPBUETLYRMAVOZ-LLVKDONJSA-N 283.349 0.789 10 10 CCCE Nc1ccc(CNC2CCN(S(N)(=O)=O)CC2)cc1 2092529676 QDLQLENGVJCNKG-UHFFFAOYSA-N 284.385 0.026 10 10 CCCE CCn1ccnc1Cn1ccc2c(c1=O)CNCC2 2094403940 DSRVWSYHKSUVAA-UHFFFAOYSA-N 258.325 0.759 10 10 CCCE CCCNCc1ccc(N2C[C@H](O)[C@H](O)[C@H]2CO)cc1 2201032976 KKDDEFQUCPEMNN-QLFBSQMISA-N 280.368 0.089 10 10 CCCE Cc1cccc(CNC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3N2)c1O 2204610543 PGHKOWOYADQZNR-AVGNSLFASA-N 276.336 0.836 10 10 CCCE C[C@@H](Sc1ncc([N+](=O)[O-])s1)C(=O)NCC(=O)O 2223192671 GLWUFNJJJNRPOD-SCSAIBSYSA-N 291.310 0.733 10 10 CCCE O[C@@H]1C[C@H]2CC[C@@H]([C@H]1O)N2c1ccc2c(c1)OCCO2 2235109978 UTLWQTSALPCZMY-JDTTZNEISA-N 277.320 0.921 10 10 CCCE CN1CCN(Cc2c[nH]nc2CCN)c2cccnc21 2235311945 DDIDHBUYCDKGRL-UHFFFAOYSA-N 272.356 0.762 10 10 CCCE O[C@H]1[C@@H]2C[C@@H](CN(c3ccc4c(c3)CCO4)C2)[C@H]1O 2226753250 UCIQPNKDGXKUFI-AGCIHXOGSA-N 261.321 0.799 10 10 CCCE COc1ccc(N2C[C@@H](O)[C@H](O)C2(C)C)c(CO)c1 2227710030 ASUFMTGVDFTBNL-OLZOCXBDSA-N 267.325 0.508 10 10 CCCE NCc1ccc(N2C[C@H]3C[C@H](O)[C@H](O)C[C@H]3C2)cc1 2228694663 VVLXKSZWQPITSI-IKARSPCKSA-N 262.353 0.713 10 10 CCCE C[C@]1(CO)C=CCN1CC(=O)c1ccc(O)c(O)c1 2228872024 QGPBNFRUFWJEMY-CQSZACIVSA-N 263.293 0.903 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC[C@@]2(O)C[C@H]2C1 2254028307 FOFRYIOHEBTCIR-QPUJVOFHSA-N 250.254 0.090 10 10 CCCE Nc1ccc(OC[C@@H](O)CO[C@@H]2C=CCOC2)cc1 2270219569 BMPRXOGLNILEJN-TZMCWYRMSA-N 265.309 0.980 10 10 CCCE COc1ccc(N2CC(O)(CCO)C2)c(OC)c1C 2277993058 JVHLLUROYLXVMP-UHFFFAOYSA-N 267.325 0.946 10 10 CCCE CC[C@H](C)[C@H](Nc1c(N)cccc1C(N)=O)C(N)=O 2278845574 KDHZZBHZPBBKEN-XVKPBYJWSA-N 264.329 0.680 10 10 CCCE NCc1ccc(N2C[C@@H]3OCC[C@@]3(CO)C2)c(F)c1 2278949935 TWAQXBRDORDKSI-KBPBESRZSA-N 266.316 0.872 10 10 CCCE Nc1ccc(OCCN2CC[C@H](O)[C@H](O)CC2)cc1 2269143372 AHULONGFHVCVGC-OKILXGFUSA-N 266.341 0.465 10 10 CCCE OC[C@H]1CC[C@@H](CNCc2ccc(O)c(O)c2O)OC1 2279412866 ZVQNKIRRWDEJLM-KOLCDFICSA-N 283.324 0.681 10 10 CCCE CN[C@H]1CCN(C(=O)NCCc2ccc(O)c(O)c2)C1 2285530163 UVVXRYMPPBHXRO-NSHDSACASA-N 279.340 0.644 10 10 CCCE CC1(C)C(=O)NC[C@H]1NC(=O)c1cccc(O)c1O 1148225295 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10 10 CCCE Cc1cc(N2C[C@H](O)[C@@H](O)[C@H]2CF)ccc1[C@@H](C)N 2269664564 BUNFFGMYYDJJNS-QQUHWDOBSA-N 268.332 0.895 10 10 CCCE NCCOCCOCCC(=O)NCc1ccccc1O 2283444769 FTNJVOHPNLIMOE-UHFFFAOYSA-N 282.340 0.390 10 10 CCCE OC[C@H](O)[C@H]1COCCN1c1ccc(OC(F)F)cc1 2295977186 GMPHITRKKRKFQL-NEPJUHHUSA-N 289.278 0.846 10 10 CCCE C[C@H](O)c1ccc(N2CC[C@@H]2[C@H](O)CO)c([N+](=O)[O-])c1 2286208760 MLUWVGHFDUAWSU-RLCGTCKNSA-N 282.296 0.580 10 10 CCCE COCCN1C[C@@H](O)[C@H](N2CCC[C@@H](N=[N+]=[N-])C2)C1 2329034312 QLAIEUKTQNXNKD-IJLUTSLNSA-N 269.349 0.453 10 10 CCCE O=C(c1cccc(O)c1O)N1C[C@H]2C[C@@H](CO)[C@H]2C1 2330490540 OEPBTCUHJVBPGF-YWVKMMECSA-N 263.293 0.798 10 10 CCCE C[C@H](N)c1ccc(N2C[C@H]3C[C@H](O)[C@H](O)[C@@H]2C3)cc1O 2355336979 XEBONLPBMDZBOY-XBXBGQDHSA-N 278.352 0.732 10 10 CCCE CN(C)c1ccc(/C=C\C(=O)NOCC(=O)O)cc1 216420730 QXPDSFZEWUQDOV-YVMONPNESA-N 264.281 0.898 10 10 CCCE Oc1c(F)cccc1CNCCN1CCOCC1 83398823 FNUOSRKKLPUEOV-UHFFFAOYSA-N 254.305 0.953 10 10 CCCE CCNC(=O)[C@@H](C)OC(=O)Cc1ccc(N)cc1 41098626 MXNBIPHLJSHYSJ-SECBINFHSA-N 250.298 0.879 10 10 CCCE COCCNC(=O)[C@@H](C)NCc1cc2c(cc1O)OCO2 228985517 CEGJIAOLNFUDFQ-SECBINFHSA-N 296.323 0.362 10 10 CCCE COc1ccc(N2CCN(C(=O)CC3CNC3)CC2)cc1 81745778 DYYKURMIJUBOTF-UHFFFAOYSA-N 289.379 0.953 10 10 CCCE COC(=O)c1cccc(N)c1N[C@@H](C(N)=O)C(C)C 231060368 WIFPPUCPOJHEEC-SNVBAGLBSA-N 265.313 0.977 10 10 CCCE COC(=O)[C@@H](NCCN=[N+]=[N-])c1cnn(C)c1C 93651306 WJCBGAFLIKOIEJ-VIFPVBQESA-N 252.278 0.843 10 10 CCCE CN[C@H](C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 147626697 RSRBOSHRAXNKAQ-LLVKDONJSA-N 295.358 0.886 10 10 CCCE C[C@H](CC(=O)C=[N+]=N)N1C(=O)c2ccccc2C1=O 96307200 RDTOQRJQTZSCLZ-MRVPVSSYSA-N 258.257 0.940 10 10 CCCE CN1CCc2cc([C@H]3NC(=O)[C@@H]4COCCN43)ccc21 245791432 WDPKEUPKJYYUME-KBPBESRZSA-N 273.336 0.508 10 10 CCCE N[C@@H](CO)c1c(O)c(Br)cc2c1OCCO2 258405458 CCRSHSPQDYGLEB-LURJTMIESA-N 290.113 0.918 10 10 CCCE N[C@@H](C(=O)O)c1c(O)c(Br)cc2c1OCO2 258384142 ACUSAWLYSHBBFD-ZCFIWIBFSA-N 290.069 0.968 10 10 CCCE C[C@](O)(CO)[C@@H](N)c1ccc(Br)cc1O 713766148 ZSXNVHHORJGWPF-UWVGGRQHSA-N 276.130 0.898 10 10 CCCE CC1(OCC(=O)NCCc2ccc(N)cc2)CNC1 843341223 AKHOANIARHDRNX-UHFFFAOYSA-N 263.341 0.306 10 10 CCCE O=C(NCc1ccc(O)c(O)c1)C1(N2CCOCC2)CC1 866768529 CFTXXEWXYHEPCB-UHFFFAOYSA-N 292.335 0.579 10 10 CCCE COCC(O)(CNCc1cccc(C)c1O)COC 1875695269 MYXOQCOLLBCVCZ-UHFFFAOYSA-N 269.341 0.814 10 10 CCCE N=c1[nH]cc(CNC(=O)COc2ccc(N)cc2)s1 1876526259 YKGQIJSISYTLHD-UHFFFAOYSA-N 278.337 0.833 10 10 CCCE Nc1ccc(NC(=O)N2CC(CS(N)(=O)=O)C2)cc1 1880186497 GTXRZYFZPWGGFV-UHFFFAOYSA-N 284.341 0.021 10 10 CCCE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)NCCN=[N+]=[N-] 1885557108 KJEAMPJSMSBRKR-BDAKNGLRSA-N 299.331 0.783 10 10 CCCE Cc1cnc([C@@H]2NCCc3cc(O)c(O)cc32)c[n+]1[O-] 83724390 IOPLPVROXNXDQO-CQSZACIVSA-N 273.292 0.670 10 10 CCCE COc1cccc(CNC[C@@H]2CCC(=O)N2)c1O 79927244 PNUKGYQMDFSADS-JTQLQIEISA-N 250.298 0.769 10 10 CCCE COc1ccc(N(C)C[C@H](N)C2CS(=O)(=O)C2)cc1 1890720791 GNXFQAMQLBESIR-ZDUSSCGKSA-N 284.381 0.503 10 10 CCCE COc1ccc(N(C)C[C@@H]2CNCCS2(=O)=O)cc1 1892789164 UBTRXCRUTKLLFS-ZDUSSCGKSA-N 284.381 0.518 10 10 CCCE C[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2O)CCS1(=O)=O 1597425126 KKFRFCVBJLUWCC-BDAKNGLRSA-N 299.348 0.793 10 10 CCCE C[C@]1(O)CCN(C(=O)Cc2ccc(N)cc2)C[C@]1(C)O 2194602940 GARMGLSRWNFFSC-GJZGRUSLSA-N 278.352 0.546 10 10 CCCE COc1ccc(N2CC[C@@H]([C@@H](N)CO)C2)c(OC)c1 250379614 KRXOIYXEVRQOES-PWSUYJOCSA-N 266.341 0.850 10 10 CCCE O=[N+]([O-])c1ccc(N2CC3(COC3)C2)cc1CO 697078877 BAEXUKDBQMQOEO-UHFFFAOYSA-N 250.254 0.924 10 10 CCCE COc1cccc(CN2CCO[C@@H]3CNC[C@@H]32)c1O 686534809 RQVKRLHVXTZXLR-WCQYABFASA-N 264.325 0.573 10 10 CCCE Cc1ccc([C@H](C)N[C@H]2CS(=O)(=O)C[C@H]2O)c(O)c1 2121365649 WPJSRQQFMRNLGT-XHVZSJERSA-N 285.365 0.509 10 10 CCCE C[C@@H](NC(=O)Nc1ccc(N)cc1)c1nc(=O)o[nH]1 2121344590 HFEXQBVVSMDWEW-ZCFIWIBFSA-N 263.257 0.828 10 10 CCCE COCCN(C)C[C@@H](O)CN1CCC[C@H]1CN=[N+]=[N-] 2123020739 WRCLPEAWNJXPBS-NWDGAFQWSA-N 271.365 0.700 10 10 CCCE CCCN(CC(CO)(CO)CO)c1ccc(N)cc1 2123172281 PFFDINQVIMVCLP-UHFFFAOYSA-N 268.357 0.449 10 10 CCCE CC(=O)N1CCC(NC(=O)Cc2ccc(O)c(O)c2)CC1 1628764206 VFCVJNQYJWAMQT-UHFFFAOYSA-N 292.335 0.767 10 10 CCCE CC1(C)OCCO[C@@H]1[C@@H](NCCCN=[N+]=[N-])C(N)=O 1889141419 NCFBJXJKLOHWQP-RKDXNWHRSA-N 271.321 0.324 10 10 CCCE COC(=O)C[C@@H](C)C(=O)NCc1cc(O)ccc1O 1637126464 ZMKYEIZQEYKQKS-MRVPVSSYSA-N 267.281 0.913 10 10 CCCE C[C@@H](O)[C@@H]1CCN1CC(=O)N(C)c1ccc(N)cc1 2125809735 YGQYINBXHNOOMR-MFKMUULPSA-N 263.341 0.687 10 10 CCCE CO[C@H]1C[C@](N)(C(=O)N(C)Cc2ccccc2O)C1 1966852059 ZLNVVBAQRUQECD-VDISTLRHSA-N 264.325 0.857 10 10 CCCE CO[C@H]1C[C@@H]1CN(CC(N)=O)Cc1ccc(N)cc1 2131633187 DJDQMYLTZGCMHK-YPMHNXCESA-N 263.341 0.591 10 10 CCCE CN1C[C@H]2C[C@H]1CN2S(=O)(=O)Cc1ccc(N)cc1 2131020148 NJTVGJGWZXAXDD-QWHCGFSZSA-N 281.381 0.487 10 10 CCCE N[C@@H]1CC(C(=O)N2CCOc3ccccc32)=C[C@@H]1O 2131474639 HNSZPFNPRXXITE-PWSUYJOCSA-N 260.293 0.430 10 10 CCCE CN1CCN(CC2=C[C@@H](O)[C@H](N)C2)c2cccnc21 2131473811 XLKPIAARRPBSKK-DGCLKSJQSA-N 260.341 0.356 10 10 CCCE COc1cc(N2C[C@H](N(C)C)[C@H](O)C2)ccc1CO 2139703344 XKSZTKCMUCDCJY-QWHCGFSZSA-N 266.341 0.299 10 10 CCCE C[C@H](N)c1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CO)c(Cl)c1 2136341157 YYDSYXFJIOFSNZ-GIMBAOAISA-N 286.759 0.262 10 10 CCCE O=C1CN(C(=O)c2ccc(O)c(O)c2)CCCN1 227025096 FJNVGDRMJMFPGJ-UHFFFAOYSA-N 250.254 0.060 10 10 CCCE N[C@@H]1C[C@@H]2C[C@@H](NC(=O)c3ccc(O)c(O)c3)C[C@@H]12 2137367572 FCYVLIJPNSPACT-LNFKQOIKSA-N 262.309 0.953 10 10 CCCE CCOc1cccc(CN2CC[C@](N)(C(=O)O)C2)c1O 229195722 VZGQYPGUDDKOIX-CQSZACIVSA-N 280.324 0.779 10 10 CCCE COc1ccc(N2CC[C@](N)(C(=O)O)C2)c([N+](=O)[O-])c1 229313646 RTSMQASKKVFEOO-GFCCVEGCSA-N 281.268 0.596 10 10 CCCE CCCNC(=O)CNC(=O)[C@H]1CNc2ccccc2N1 229877465 AUPVMMVEAZGEEM-GFCCVEGCSA-N 276.340 0.535 10 10 CCCE O=C(NC[C@@H]1[C@H]2CCNC[C@H]21)c1cccc(O)c1O 2138559515 FXNGHPFCEJDHCY-JMJZKYOTSA-N 262.309 0.683 10 10 CCCE CN[C@@H](c1cnnn1C)[C@@H](O)c1ccc(N(C)C)cc1 2148247405 XKKKDGSFDDYVLH-KBPBESRZSA-N 275.356 0.875 10 10 CCCE NC(=O)CO[C@H]1CCN(CCCc2ccc(N)cc2)C1 2145371887 PPPQUNXTIBIAFB-AWEZNQCLSA-N 277.368 0.778 10 10 CCCE COC(=O)C[C@H](N)c1ccc(S(C)(=O)=O)c(F)c1O 260503069 JKWHZEVVTUHBLD-ZETCQYMHSA-N 291.300 0.498 10 10 CCCE CN(CC(=O)Nc1ccc(N)cc1)CC(=O)NC1CC1 36797348 HBNQZNDEYUCZCC-UHFFFAOYSA-N 276.340 0.418 10 10 CCCE CN(CC(=O)N1CCNCC1)Cc1ccc(Cl)cc1O 2146322318 ZEVQPWDFYSUWDT-UHFFFAOYSA-N 297.786 0.909 10 10 CCCE C[C@H](N[C@@H]1CC(=O)NC1=O)c1cc(O)ccc1O 2034957456 LNRGNEKPSLBHLN-IMTBSYHQSA-N 250.254 0.164 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N3CC[C@@](C)(O)C3)cc21 300108719 NNIHNHXJQFXGEH-GXTWGEPZSA-N 261.325 0.624 10 10 CCCE COC[C@](O)(CO)CN[C@H](C)c1ccc(OC)cc1O 2158617994 HPWJYJNWPNAPQM-QMTHXVAHSA-N 285.340 0.421 10 10 CCCE CO[C@H]1C[C@H](CO)N(C(=O)Nc2ccc(N)cc2)C1 311688468 RXPDGIGFQHLTIY-NEPJUHHUSA-N 265.313 0.882 10 10 CCCE C[C@H]1[C@@H](Nc2c(N)cccc2C(=O)O)CCS1(=O)=O 311762266 WEXLMOKBDNECSO-XVKPBYJWSA-N 284.337 0.955 10 10 CCCE Cc1cccc(O)c1CNCCC[C@H]1NC(=O)NC1=O 2160792674 HETFXBIOLBUXHL-LLVKDONJSA-N 277.324 0.778 10 10 CCCE CC(C)[C@H](NC(N)=O)C(=O)Nc1ccc(N)cc1 700717079 ODVZMZGIWTZPCY-JTQLQIEISA-N 250.302 0.900 10 10 CCCE CCCOc1ccc(N2CCNC[C@@H]2C(=O)NC)cc1 2162637537 OYFRORVPPHCESS-CQSZACIVSA-N 277.368 1.000 10 10 CCCE CN(C)c1ccc([C@@H](N)[C@@]2(O)CCCS(=O)(=O)C2)cc1 2163133202 KQBMCCCFBZYILS-ZIAGYGMSSA-N 298.408 0.692 10 10 CCCE CN(C)c1ccc(N)c(OCCN2C(=O)CCC2=O)c1 692097011 ZSMANZFYWBEGEG-UHFFFAOYSA-N 277.324 0.863 10 10 CCCE NS(=O)(=O)C1(CNCc2cc(F)ccc2O)CC1 714016191 PFPFNJUXMXFXNN-UHFFFAOYSA-N 274.317 0.442 10 10 CCCE C[C@H](C(=O)O)N(C(=O)c1cc(O)nc(O)c1)C1CC1 383029198 IHYVOXNYFMUNGK-ZCFIWIBFSA-N 266.253 0.571 10 10 CCCE C[C@H]1[C@H](CO)CCN1CC(=O)Nc1ccc(N)cc1 385928343 ULMOGVSDROSVCD-QWRGUYRKSA-N 263.341 0.910 10 10 CCCE NC(=O)NCCCNC(=O)CCOc1ccc(N)cc1 2167859384 FHGIRKMJQGELNA-UHFFFAOYSA-N 280.328 0.212 10 10 CCCE COC(C)(C)[C@H](NC(=O)Cc1ccc(N)cc1)C(=O)O 2171066328 AHBFGMNUUHKIQZ-GFCCVEGCSA-N 280.324 0.806 10 10 CCCE O=C1CCN(c2ccc(CO)c([N+](=O)[O-])c2)CCCN1 2188578064 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10 10 CCCE CCN(Cc1ccc(N)cc1)C[C@H](O)C(=O)OC 385276615 IITZPUGSAYIXKO-LBPRGKRZSA-N 252.314 0.625 10 10 CCCE COc1ccc([C@@H](C)NC[C@](C)(O)CO)c(O)c1 90284375 KYUYREVXKFNSEJ-RNCFNFMXSA-N 255.314 0.795 10 10 CCCE CNCc1ccc(N2C[C@H]3C(=O)NC(=O)[C@@H]3C2)cc1C 386721415 AJXSQQHBNIWUOF-CHWSQXEVSA-N 273.336 0.423 10 10 CCCE CN(C)c1ccc(C2(N)CCN(S(C)(=O)=O)CC2)cc1 2163063522 QZZAVFAEAJOQAB-UHFFFAOYSA-N 297.424 0.962 10 10 CCCE CCN1CCc2cc([C@@H](NN)c3nnn(C)n3)ccc21 2163152251 QXLSBPGUTOBPOF-GFCCVEGCSA-N 273.344 0.145 10 10 CCCE CNC1(C(N)=O)CN([C@@H](C)c2cc(OC)ccc2O)C1 2165765506 OYMKWEPCVWOKIM-VIFPVBQESA-N 279.340 0.221 10 10 CCCE Nc1ccc(OC[C@@H](O)C[S@@](=O)C2CCOCC2)cc1 722440566 FXHDDPVURMWNNF-MPBGBICISA-N 299.392 0.936 10 10 CCCE CO[C@@H](C(=O)NCc1ccc(O)cc1O)[C@@H]1CCOC1 910943296 MGRJNRKZKNLNCC-ZWNOBZJWSA-N 281.308 0.766 10 10 CCCE CN1C[C@H](NC(=O)NCc2c(O)cccc2F)CC1=O 921342692 YUSAAIDMQQIZJL-MRVPVSSYSA-N 281.287 0.561 10 10 CCCE COCCOC(=O)CN1C[C@@H](C)Oc2cc(CN)ccc21 74337224 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Nc1ccc(CN2CCOCCS2(=O)=O)cc1 2017339993 JIRBKINKQQPJLZ-UHFFFAOYSA-N 256.327 0.431 10 10 CCCE NCCCCCS(=O)(=O)NCc1ccccc1O 2029299340 BFSJSTACYTZUJO-UHFFFAOYSA-N 272.370 0.941 10 10 CCCE Cc1cc(CO)ccc1N1C[C@H](O)[C@@H](N(C)C)C1 2029433017 HISOHOWOBKFHPZ-KBPBESRZSA-N 250.342 0.598 10 10 CCCE O=C(N[C@@H](CO)CC1CC1)c1ccc(O)c(O)c1 2029966838 MSLYWOSOBHDEHP-SNVBAGLBSA-N 251.282 0.989 10 10 CCCE O=C(NCC[C@@H](F)C(=O)O)c1cc(O)nc(O)c1 2040612697 KPDJKELJJIOSAQ-ZCFIWIBFSA-N 258.205 0.035 10 10 CCCE CCN(CCOCCO)c1ccc([N+](=O)[O-])c(CO)c1 312867780 YRDJAHJYFJCCDB-UHFFFAOYSA-N 284.312 0.922 10 10 CCCE C[S@@](=O)CC[S@](=O)CC(=O)Nc1ccc(N)cc1 320027373 UZJFFWSQLIJPBC-MSOLQXFVSA-N 288.394 0.335 10 10 CCCE C[C@H]1OCCN[C@@H]1C(=O)NCc1ccccc1O 328209965 IJOBTYXZDNAYME-SKDRFNHKSA-N 250.298 0.385 10 10 CCCE c1cc2c(cc1N1CC(N3CCNCC3)C1)OCCO2 2162635980 NSANXJAUFZWCRE-UHFFFAOYSA-N 275.352 0.552 10 10 CCCE CO[C@@H]1C[C@@H](CO)N(CCOc2ccc(N)cc2)C1 381787251 ZLMTURFVTJFSRT-GXTWGEPZSA-N 266.341 0.729 10 10 CCCE Nc1ccc(OCC(=O)OCO[C@@H]2CCOC2)cc1 382276672 CNOGBQXNHRIYEC-GFCCVEGCSA-N 267.281 0.954 10 10 CCCE CS(=O)(=O)C1CC(NC(=O)CCc2ccc(N)cc2)C1 716135562 DBVLHGOKFGVGEZ-UHFFFAOYSA-N 296.392 0.893 10 10 CCCE CN(C)[C@H]1[C@@H]2CN(C(=O)c3ccc(O)c(O)c3)C[C@@H]21 384780442 QATWUGCWHSPKPL-IWIIMEHWSA-N 262.309 0.730 10 10 CCCE C[C@@H]1CN(C(=O)COc2ccc(N)cc2)C[C@@H]1O 387531384 CFPQOIUWAJFMKM-SKDRFNHKSA-N 250.298 0.487 10 10 CCCE Nc1cc2c(cc1N1CCSC[C@@H]1CO)OCCO2 387903883 QOQLDQHPOIFRNC-VIFPVBQESA-N 282.365 0.954 10 10 CCCE C[C@H]1[C@H](O)CCCN1S(=O)(=O)Cc1ccc(N)cc1 395009213 KXZZJMYAEDJQAY-GXFFZTMASA-N 284.381 0.944 10 10 CCCE NCc1cc(F)c(N2CC[C@@H](O)[C@@H](CO)C2)c(F)c1 396942222 UDXXDAVKPLGWFM-BXKDBHETSA-N 272.295 0.603 10 10 CCCE CC1(C)CNC(=O)CN1c1ccc(CO)cc1[N+](=O)[O-] 2175723557 XWVZLYJTOHYYRX-UHFFFAOYSA-N 279.296 0.802 10 10 CCCE O=C(NC1CC1)c1ccnn1Cc1c(O)cc(O)cc1O 2069940340 SCSZBYZCXDQJSN-UHFFFAOYSA-N 289.291 0.940 10 10 CCCE Cc1cc(CN)ccc1N1CCN2C(=O)NC(=O)[C@H]2C1 2171305158 OCFUZKFHYJLCNH-GFCCVEGCSA-N 274.324 0.194 10 10 CCCE C[C@@H](O)c1ccc(N2CCNC(=O)[C@H]2C(N)=O)c(Cl)c1 2184132650 QVBWGBSPZJFBFG-RDDDGLTNSA-N 297.742 0.183 10 10 CCCE C[C@@H](O)c1ccc(N2CCNC(=O)[C@@H]2C(N)=O)cc1Cl 2184133821 XJQSWBLBESDMQZ-HQJQHLMTSA-N 297.742 0.183 10 10 CCCE OC[C@H](O)[C@H]1COCCN1c1ccc2c(c1)CC[C@@H]2O 2184730831 AETPYXUTAXJFRK-ILXRZTDVSA-N 279.336 0.225 10 10 CCCE COc1cc(N)c(N2C[C@H](O)CC23CNC3)cc1OC 2191459541 JMTWDSOIAOUKHY-SECBINFHSA-N 279.340 0.199 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@]23CCCNC[C@@H]2C3)cc1 2191693701 GIUSZQNQPXUAIL-JSGCOSHPSA-N 295.408 0.830 10 10 CCCE Nc1ccc(CCNS(=O)(=O)c2cncc(N)c2)cc1 2191641507 CRUUHXFNXLJPIZ-UHFFFAOYSA-N 292.364 0.767 10 10 CCCE CN(Cc1c(O)cccc1F)C[C@H]1CNCCO1 2042632676 JNZGWLQCCDMIKN-SNVBAGLBSA-N 254.305 0.952 10 10 CCCE NCc1cc(F)c(N2C[C@H](O)C[C@@H](O)C2)c(F)c1 2043129900 TVIDMBTYOQGULZ-RKDXNWHRSA-N 258.268 0.355 10 10 CCCE C[C@@](CO)(NCc1ccc(O)c(O)c1O)C(F)F 2043168040 GAUDIGVECOYFKT-NSHDSACASA-N 263.240 0.909 10 10 CCCE NCc1ccc2c(c1)CCCN2C[C@H](O)C(=O)O 2044392302 DPTRAOHNDIKHQF-LBPRGKRZSA-N 250.298 0.343 10 10 CCCE C[C@H](NC[C@@](C)(O)CCO)c1ccc(O)cc1O 2045304605 HGDHPSREKIKMKB-ZANVPECISA-N 255.314 0.882 10 10 CCCE CCS(=O)(=O)NC1CN(c2ccc(CN)cc2)C1 2046967364 PLFXTEOWSMUSKE-UHFFFAOYSA-N 269.370 0.273 10 10 CCCE CN1C[C@@H]2C[C@H]1CN2C[C@@H](O)COc1ccc(N)cc1 2187560207 PWSBABDUXSSXHL-MELADBBJSA-N 277.368 0.397 10 10 CCCE C[C@@H]1C[C@@]1(N)C(=O)NCCc1ccc(O)c(O)c1 2058270642 QVLCYYDXDLPDPH-OQPBUACISA-N 250.298 0.494 10 10 CCCE COc1cccc(CN2C[C@H](N)[C@@H](OC)C2)c1O 2058774245 CQZAERXILGGGLI-JQWIXIFHSA-N 252.314 0.559 10 10 CCCE CN(c1ccc2c(c1)CC[C@@H]2O)C1CS(=O)(=O)C1 2065080068 DSYQXIHPYPKYKF-ZDUSSCGKSA-N 267.350 0.899 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCOC[C@@H]1CO 2193220298 HHFBLZXWSPCFHV-QWRGUYRKSA-N 281.308 0.154 10 10 CCCE CO[C@H]1C[C@@H](CO)N(c2ccc(CO)c([N+](=O)[O-])c2)C1 2188576288 MRJHYVNRTQAQKC-RYUDHWBXSA-N 282.296 0.673 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CC(n2cnnc2)C1 2188922490 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N[C@H]1C[C@H](CC(=O)C(=O)C[C@]23CC[C@H]2CNC3)C1 2086351584 BUTBMCCBDZKOEN-RMIALFOJSA-N 250.342 0.642 10 10 CCCE Cn1cc(CCOC(=O)Cc2ccc(N)cc2)nn1 2108089809 BWVOCUQLQDPEMF-UHFFFAOYSA-N 260.297 0.726 10 10 CCCE Nc1ccc(C[C@@H](O)CS(=O)(=O)N2CCCC2)cc1 2089488413 BJSUJGXACGCPIE-CYBMUJFWSA-N 284.381 0.598 10 10 CCCE CN1CC2CC1(CNC(=O)c1ccc(O)c(O)c1)C2 2095749190 XLQWPGCCOWHWBS-UHFFFAOYSA-N 262.309 0.922 10 10 CCCE NCc1cnc(NC(=O)c2ccc(O)c(O)c2)cn1 2112938345 WULPHYNWFIMREK-UHFFFAOYSA-N 260.253 0.599 10 10 CCCE COc1cc(N2CC[C@H]3C[C@H]2[C@H](O)[C@H]3O)ccc1CO 2204554524 RPUYDFWDNCKVLP-HLHNXRDNSA-N 279.336 0.508 10 10 CCCE N=c1nnc(OC[C@H]2C[C@@H]2C2CCOCC2)n[nH]1 2219022116 UCQOFQOUCXHCHF-RKDXNWHRSA-N 251.290 0.121 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3C[C@@H](O)C[C@H](F)C3)ccc21 2234673000 JTCWHPRVWSLIHL-FWDPORAESA-N 279.315 0.808 10 10 CCCE [N-]=[N+]=N[C@@H]1CCC[C@@H]1NC(=O)[C@H]1Cc2nncn2C1 2225800500 QYZQVIYDHAHIHB-XHNCKOQMSA-N 261.289 0.798 10 10 CCCE COc1ccc(N2C[C@@H]3C(=O)NC(=O)[C@H]3C2)c(C=O)c1 2236002314 CMRFOSHRRLPEET-QWRGUYRKSA-N 274.276 0.217 10 10 CCCE Nc1ccc(CN2C[C@@H]3[C@H]4C[C@@H]([C@H](O)[C@@H]4O)[C@@H]3C2)cc1 2237071916 VINKMJIAVFSEEG-FWXGHANASA-N 274.364 0.688 10 10 CCCE Cc1nc(COC(=O)Cc2ccc(N)cc2)nn1C 2228243717 WBYRMTOIPHCXDD-UHFFFAOYSA-N 260.297 0.992 10 10 CCCE CSc1ncc(CNC(=O)[C@@]2(C)COC[C@@H]2N)s1 2256942915 NVHNSFBXMABTRK-KWQFWETISA-N 287.410 0.845 10 10 CCCE CSc1ncc(CNC(=O)[C@@H](N)CCN(C)C)s1 2257011595 JZLSKCBBBFTBIN-VIFPVBQESA-N 288.442 0.760 10 10 CCCE Cc1cc(N2CC[C@](O)(CO)C2)ccc1[C@H](C)O 2257475328 HDKQDFDYYHSTAZ-SMDDNHRTSA-N 251.326 0.982 10 10 CCCE O=C(N[C@@H]1C[C@@]12C[C@@H]2C(=O)O)c1ccc(O)c(O)c1 2268063977 VFJFBERYWVZZGE-XBURVNOZSA-N 263.249 0.691 10 10 CCCE Nc1ccc(OCCNC(=O)c2cc(=O)cc[nH]2)cc1 2285217352 TXMCZXXHSHYZPZ-UHFFFAOYSA-N 273.292 0.766 10 10 CCCE COC(=O)[C@@H](C)NC(=O)C=Cc1ccc(O)c(O)c1 2297748792 WFBBISJLIGYSGF-MRVPVSSYSA-N 265.265 0.789 10 10 CCCE C[C@H](N)c1ccc(N2C[C@@H]3[C@H](C2)CS3(=O)=O)cc1 2314780324 GBZCRVRRTGDKFG-UFGOTCBOSA-N 266.366 0.940 10 10 CCCE C[C@]1(N)CN(C(=O)c2cc(O)nc(O)c2)CC1(F)F 2336638884 UWQYPUGSYFSXBD-JTQLQIEISA-N 273.239 0.301 10 10 CCCE CN([C@H]1CNC[C@@H]1F)S(=O)(=O)Cc1ccc(N)cc1 2343635247 FMOXCKBKQOUQKK-RYUDHWBXSA-N 287.360 0.340 10 10 CCCE C[C@H]1C[C@@H](N)CN(C(=O)c2ccc(O)c(O)c2)C1 235724187 IGJUCAKDULHTGK-WCBMZHEXSA-N 250.298 0.907 10 10 CCCE O=C(O)[C@@H](O)c1c(Br)ccc(O)c1O 258546456 VWBZKKYNCMAYEH-ZETCQYMHSA-N 263.043 0.978 10 10 CCCE C[C@@H]1CN(C(=O)Cc2ccc(N)cc2)[C@H](C(=O)O)CO1 2165817270 CWLCBJONANLEDF-SKDRFNHKSA-N 278.308 0.512 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3CC([N+](=O)[O-])C3)c(Cl)cc21 1876151177 ZTXHLXFNHAPYQU-SNVBAGLBSA-N 282.687 0.757 10 10 CCCE CN(C1CCNCC1)S(=O)(=O)Cc1ccc(N)cc1 1876163543 AWCCSYKTTDNDQC-UHFFFAOYSA-N 283.397 0.782 10 10 CCCE C[C@H](C1CNC1)N(C)C(=O)COc1ccc(N)cc1 1876441180 YQJHVMSZGBYYOM-SNVBAGLBSA-N 263.341 0.714 10 10 CCCE CC[C@@]1(NS(=O)(=O)Cc2ccc(N)cc2)CCNC1 1876415271 GJFXCECJIOYLFU-CYBMUJFWSA-N 283.397 0.830 10 10 CCCE C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(N)=O 779492121 CLHKFSQPRBHVSG-YSCPKTQFSA-N 250.254 0.101 10 10 CCCE CCn1nc(C)c(CC(=O)OCC(=O)C(C)=O)c1C 795793632 PSDVFZWDQBTMGV-UHFFFAOYSA-N 266.297 0.764 10 10 CCCE C[C@H](c1ccc(O)cc1O)N1CCN(C)C[C@H]1CN 251550336 QJBAFJFQFLMJKH-GHMZBOCLSA-N 265.357 0.734 10 10 CCCE Cn1cc(CNC(=O)c2ccc(N=NC(N)=O)cc2)nn1 1164586794 BQUPUUBUWFKZJM-UHFFFAOYSA-N 287.283 0.908 10 10 CCCE Cc1cccc([C@@H](N)c2nnc([C@@H](O)C(=O)O)o2)c1O 83588006 RFUUGRUYEUZEIQ-VXNVDRBHSA-N 279.252 0.250 10 10 CCCE N[C@@H](c1ccc(O)c(O)c1)c1nnc([C@H]2CCCN2)o1 83547323 XLDUPGCNEDPGCC-KCJUWKMLSA-N 276.296 0.953 10 10 CCCE CN1C[C@H](NCc2ccc(O)cc2O)CCC1=O 84059822 FJDKFBNJQYNEKV-SNVBAGLBSA-N 250.298 0.808 10 10 CCCE C[C@@H](O)c1ccc(N2C[C@@H](CO)[C@@H](CO)C2)cc1 704450028 AFSUSGGPLYONTI-RTXFEEFZSA-N 251.326 0.777 10 10 CCCE C[C@@H]1CN(S(=O)(=O)Cc2ccc(N)cc2)C[C@H]1CO 709096697 AXLUCLQCSSWANF-PWSUYJOCSA-N 284.381 0.659 10 10 CCCE Cn1ccn(CCOc2ccc(N)cc2)c(=O)c1=O 61796505 XVSNGSYHRNAQAV-UHFFFAOYSA-N 261.281 0.208 10 10 CCCE O=C(NC[C@@H]1CCC2(CNC2)O1)c1ccc(O)c(O)c1 690699429 WPACMFPGHBAGCY-JTQLQIEISA-N 278.308 0.349 10 10 CCCE [N-]=[N+]=NCCCN[C@]1(C(N)=O)CO[C@@H](C2CC2)C1 691352470 CWYPXPYCSHCGCD-KOLCDFICSA-N 253.306 0.699 10 10 CCCE NC(=O)[C@H]1CN(Cc2c(O)cccc2Cl)C[C@@H]1C(N)=O 693454767 PVRZECIIHSBQLH-YUMQZZPRSA-N 297.742 0.064 10 10 CCCE [N-]=[N+]=NCCCN[C@]1(C(N)=O)CCCS(=O)(=O)CC1 694767279 NCWAOZWOHYJVKA-SNVBAGLBSA-N 289.361 0.099 10 10 CCCE Nc1ccc(CNC(=O)C[C@@H]2COCCO2)cc1 1916776754 XUQSWGWLDJCUHO-GFCCVEGCSA-N 250.298 0.691 10 10 CCCE COC(=O)[C@]1(NCCN=[N+]=[N-])C[C@H](OC)[C@H](OC)C1 2115895386 FXSFEFIJXOSZCQ-DOFRTFSJSA-N 272.305 0.622 10 10 CCCE CN(C)c1ccc(CNN(C)S(C)(=O)=O)cc1 2301550822 JKTVKYBFCKQFIV-UHFFFAOYSA-N 257.359 0.649 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1C[C@@H](F)[C@H](CO)C1 2120606416 OZOIIXFRMAKTSS-VHSXEESVSA-N 269.272 0.429 10 10 CCCE COc1cccc(CN[C@@H](C)c2nc(=O)o[nH]2)c1O 2121354112 RUDIZCJYXFEGRQ-ZETCQYMHSA-N 265.269 0.928 10 10 CCCE CC1(C)CNC[C@@H](CO)N1c1ccc2c(c1)OCO2 217092351 CDSBSZXMUNGPJH-NSHDSACASA-N 264.325 0.964 10 10 CCCE COCC[C@H]1COCCN1C(=O)Cc1ccc(O)c(O)c1 1556749368 FEHSUWBWKNPFJK-LBPRGKRZSA-N 295.335 0.904 10 10 CCCE CN(CCN=[N+]=[N-])C(=O)CCN1C(=O)CCC1=O 1912191224 ORPNJAIOVDQZBV-UHFFFAOYSA-N 253.262 0.294 10 10 CCCE CN(CCc1ncon1)C(=O)Cc1ccc(O)c(O)c1 1639240104 YLBVWJBJSKCQIZ-UHFFFAOYSA-N 277.280 0.724 10 10 CCCE COc1cn(CCc2ccc(N)cc2)c(=O)nc1O 1913078503 ZXCKSQYFVYMFEG-UHFFFAOYSA-N 261.281 0.782 10 10 CCCE CN(Cc1nc(=O)o[nH]1)C(=O)c1cccc(O)c1O 1643705165 ADTLKWCOVIDMBR-UHFFFAOYSA-N 265.225 0.046 10 10 CCCE CC[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@H]1O 1633381235 DVHZGNUANWRLBF-GXFFZTMASA-N 265.309 0.870 10 10 CCCE CCN=c1cc[nH]c(=NCCc2ccc(N)cc2)[nH]1 2125505693 SUSOUMRAGKGHSO-UHFFFAOYSA-N 257.341 0.989 10 10 CCCE Cc1cc(N2C[C@@H]3C[C@H](C2)[C@H](O)[C@@H]3O)ccc1CO 2126155678 JQEUUCQZEDNDFQ-IKARSPCKSA-N 263.337 0.665 10 10 CCCE Nc1ccc(NC(=O)CN2CCOC[C@H]2CF)cc1 2126206259 HOGUITRNNQYTKS-GFCCVEGCSA-N 267.304 0.878 10 10 CCCE CN(CN1CCNCC1)c1ccc2c(c1)OCCO2 259008982 ZZJWFCHUWKOEFJ-UHFFFAOYSA-N 263.341 0.757 10 10 CCCE CC(C)C[C@@H](CO)NC(=O)c1cc(O)c(O)c(O)c1 2132351593 YMIQVRZCPFKYHR-VIFPVBQESA-N 269.297 0.940 10 10 CCCE O=C(N[C@H](CCO)C1CC1)c1cc(O)c(O)c(O)c1 2132349089 YEZPGTOWQQZMLC-SECBINFHSA-N 267.281 0.694 10 10 CCCE O=C(N[C@@H]1CCN[C@@H]2C[C@H]21)c1cc(O)c(O)c(O)c1 2132407345 OUQPJZGFSWOHNZ-DJLDLDEBSA-N 264.281 0.284 10 10 CCCE Nc1ccc(O)c(CN2C[C@H]3COC[C@@H](C2)[C@H]3O)c1 2132547985 PKRGFEWJPLOSDQ-GNXNZQSNSA-N 264.325 0.414 10 10 CCCE COc1cccc(CN[C@H](C)C2CS(=O)(=O)C2)c1O 1967838919 GMPQBTLZVRRTKT-SECBINFHSA-N 285.365 0.924 10 10 CCCE Nc1ccc(CS(=O)(=O)N2Cc3nc[nH]c3C2)cc1 2140896197 UKWQLVUKDSEPHM-UHFFFAOYSA-N 278.337 0.838 10 10 CCCE CO[C@@H]1C[C@H](C(=O)O)N(Cc2ccc(O)cc2O)C1 2136353387 RQENMFZZMWZHQG-GHMZBOCLSA-N 267.281 0.772 10 10 CCCE O=C(NCC(=O)N1CCCC1)c1ccc(O)c(O)c1 226953285 ONVDUDXUKCUETA-UHFFFAOYSA-N 264.281 0.450 10 10 CCCE COc1cc(N2CC[C@H](O)C[C@H]2CO)ccc1CO 2139699922 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Nc1cc2c(cc1N1C[C@@H](CO)C[C@H]1CO)OCCO2 2146075143 AUTPWWOWLPULRS-UWVGGRQHSA-N 280.324 0.220 10 10 CCCE CCc1nnc(N(CC(N)=O)Cc2ccc(N)cc2)o1 2150259572 NKFYXVVGNBRWIK-UHFFFAOYSA-N 275.312 0.706 10 10 CCCE CCNC(=O)[C@@H](C)NC(=O)CCOc1ccc(N)cc1 40304623 WHZALBKRQXTTRY-SNVBAGLBSA-N 279.340 0.679 10 10 CCCE N[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)CC12CCC2 2154923091 PUXOWRAEFJTBKZ-SNVBAGLBSA-N 277.324 0.836 10 10 CCCE N=c1[nH]c(CNC(=O)c2ccc(O)c(O)c2)cs1 2029513530 VIWUVPYTQWGNPU-UHFFFAOYSA-N 265.294 0.897 10 10 CCCE C[C@@H](N[C@@H](CO)CCCO)c1ccc(O)cc1O 2029922266 KVAAXSRPULVCFB-NXEZZACHSA-N 255.314 0.882 10 10 CCCE CN1C[C@@H](O)[C@H](N2CCOc3cc(N(C)C)ccc32)C1 2156942852 GWPKLKLHAUMEDE-ZIAGYGMSSA-N 277.368 0.626 10 10 CCCE COC1(CO)CN(c2ccc([C@@H](C)O)cc2[N+](=O)[O-])C1 2157307236 FZTVLQRUGHRETD-SECBINFHSA-N 282.296 0.846 10 10 CCCE C[C@H](c1cc(O)ccc1O)N1CC[C@](N)(C(=O)O)C1 300291984 JXKJVFHKWBXLTB-AMIZOPFISA-N 266.297 0.647 10 10 CCCE CC1(CN)CC(NC(=O)c2cccc(O)c2O)C1 2041613397 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O=C(O)[C@H]1[C@H]2CN(C(=O)c3ccc(O)c(O)c3)C[C@H]21 2087845484 MZVAWWHGIPHPAI-AKZRSSKFSA-N 263.249 0.500 10 10 CCCE CO[C@@H]1COC[C@H]1CNC(=O)c1cccc(O)c1O 2097865151 FAYJJOPWXKNPKQ-LDYMZIIASA-N 267.281 0.489 10 10 CCCE CN1CCc2cc([C@@H](O)CN3CC(CN)C3)ccc21 2112987027 QSPLOFCSUPWTTK-HNNXBMFYSA-N 261.369 0.603 10 10 CCCE CCN(C(=O)c1ccc(O)c(O)c1)[C@@H]1CCNC1=O 2114758442 GDWKWMLOHJGHFB-SECBINFHSA-N 264.281 0.448 10 10 CCCE O=C(c1cccc(O)c1O)N1CC[C@@H](OCCCO)C1 2207051602 QHIGTVDVDTYRPK-SNVBAGLBSA-N 281.308 0.711 10 10 CCCE Nc1ccc(CS(=O)(=O)NCCC2(O)CC2)cc1 2219932046 MGDLEUQERCJQTM-UHFFFAOYSA-N 270.354 0.603 10 10 CCCE CN1C(=O)[C@@H](O)c2ccc(N3C[C@H](O)C[C@@H](F)C3)cc21 2234680329 YENXNKRSWHKXDV-JQEORGNBSA-N 280.299 0.606 10 10 CCCE [N-]=[N+]=N[C@@H]1CCC[C@H]1NC(=O)c1cnc(O)nc1O 2225800127 PTNSQUROYUOCBG-RNFRBKRXSA-N 264.245 0.849 10 10 CCCE COc1ccc(N2C[C@H](O)[C@@H](O)CC2(C)C)c(CN)c1 2235956705 ZCZAXYTVEODADQ-KBPBESRZSA-N 280.368 0.864 10 10 CCCE O=C(N[C@H]1CNC[C@@H](F)C1)c1cc(O)c(O)c(O)c1 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COc1ccc(O)c(CN2C[C@H]3CS(=O)(=O)[C@H]3C2)c1 2336549951 ZZYQZQZQDKXZOD-GWCFXTLKSA-N 283.349 0.630 10 10 CCCE C[C@@H](CO)S(=O)(=O)N1CCc2cc(O)c(O)cc2C1 2341200447 DEVVKLBQKTWSGL-QMMMGPOBSA-N 287.337 0.167 10 10 CCCE COC(=O)NC1CN(c2c(F)cc(CN)cc2F)C1 2351888674 KGIMRWLJFLTLNP-UHFFFAOYSA-N 271.267 0.968 10 10 CCCE Nc1ccc(OCCCN2C[C@@H](O)[C@@H]3COC[C@@H]32)cc1 2354369658 VRKZGYGVQKIENC-QLFBSQMISA-N 278.352 0.729 10 10 CCCE CN(C)c1ccc(CN2CC[C@@H](O)[C@H](CO)C2)cc1 1195213761 HUCYEXJBLBKBBF-DZGCQCFKSA-N 264.369 0.928 10 10 CCCE Nc1ccc(CC(=O)[C@@H]2CCCS2(=O)=O)cc1 1950635639 ODNXNZFPWPHMAL-LBPRGKRZSA-N 253.323 0.958 10 10 CCCE CC[C@H](NC(=O)c1cccc(O)c1O)C(N)=S 126145271 ANKJGBXHQOTTNR-ZETCQYMHSA-N 254.311 0.892 10 10 CCCE CNCc1ccc(N2CC[C@@H]3C[C@H]2[C@H](O)[C@H]3O)c(F)c1 2357592730 MQEIQJSVLFRMJY-KJEVXHAQSA-N 280.343 0.866 10 10 CCCE C[S@@](=O)CCNS(=O)(=O)Cc1ccc(N)cc1 157784873 XJUXUGOPVPDDTP-INIZCTEOSA-N 276.383 0.067 10 10 CCCE Nc1ccc(NC(=O)NCCCS(N)(=O)=O)cc1 45089913 DBGPOJFYTHTIQM-UHFFFAOYSA-N 272.330 0.069 10 10 CCCE CC[C@@H]1COCCN1C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 40461831 RPNSLFITNJFUJV-NEPJUHHUSA-N 294.351 0.605 10 10 CCCE COC(=O)CCS(=O)(=O)NCCc1ccc(N)cc1 49063139 FZBWOISHTKJDNN-UHFFFAOYSA-N 286.353 0.294 10 10 CCCE CN(C(=O)c1cc(O)nc(O)c1)[C@H]1CCNCC1(C)C 2162873150 PVRLKNDKKWFNJG-JTQLQIEISA-N 279.340 0.953 10 10 CCCE COc1cccc([S@](=O)CC(=O)OCC(=O)C(C)=O)c1 821352470 KFUCNZQHMXZVBT-HXUWFJFHSA-N 298.316 0.504 10 10 CCCE C[C@@H](CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1)NC(N)=O 847696570 RRFVKKFCKZASIC-BDAKNGLRSA-N 295.339 0.592 10 10 CCCE COC(=O)c1[nH]cnc1[C@@H](N)Cc1ccc(O)c(O)c1 1952069780 IUNXMAJBMGRWRY-QMMMGPOBSA-N 277.280 0.850 10 10 CCCE Oc1ccc(O)c(CNCCCN2CCOCC2)c1 83492302 IYVHYPIRGWHHHW-UHFFFAOYSA-N 266.341 0.910 10 10 CCCE COC(=O)[C@@H](CO)NCc1cc(Cl)ccc1O 83433230 UKWCGOUGDPZPSQ-SECBINFHSA-N 259.689 0.669 10 10 CCCE Nc1ccc(-n2ccnc2C[C@H]2COCCN2)cc1 76167449 HELAHCZZWDMJMC-LBPRGKRZSA-N 258.325 0.985 10 10 CCCE NC(=O)C1CC(NC(=O)CCOc2ccc(N)cc2)C1 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CON1CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1 2132413622 OPCZWZXUZDOZTG-UHFFFAOYSA-N 268.269 0.123 10 10 CCCE NCc1ccc2c(c1)CCN2C[C@@H]1C[C@@H](CO)CO1 2133392237 ZMDHMYMFWBMALJ-JSGCOSHPSA-N 262.353 0.905 10 10 CCCE CO[C@H]1CNCC[C@]1(NCCCN=[N+]=[N-])C(=O)O 1912198337 FOCVCKCKUXYMKN-WCBMZHEXSA-N 257.294 0.108 10 10 CCCE Cn1nc(O)cc1C(=O)NCCc1ccc(N)cc1 1913077060 DGVUJXFEGAJUAP-UHFFFAOYSA-N 260.297 0.680 10 10 CCCE CCOc1ccc(N2CC(=O)NC[C@@H]2C(=O)O)cc1 217061159 MFAWICCLWJPBBD-LLVKDONJSA-N 264.281 0.475 10 10 CCCE C[C@@H](CC(N)=O)C(=O)NCc1cc(O)ccc1O 1471661573 SZKYOHMFLFTNLW-ZETCQYMHSA-N 252.270 0.226 10 10 CCCE OC[C@H]1C[C@@H](O)CCN1c1ccc2c(c1)CC[C@H]2O 2136082046 OGHUTHKRBVTTTP-VNHYZAJKSA-N 263.337 0.988 10 10 CCCE COc1ccc(CN[C@@H](C)CNC(=O)CC(N)=O)cc1C 1714218226 QYVUPQQPPWVEGO-NSHDSACASA-N 293.367 0.473 10 10 CCCE CN(C)[C@H]1COC[C@H]1NCc1cc2c(cc1O)OCO2 1921992772 SSBKMQYTFASCHZ-MNOVXSKESA-N 280.324 0.540 10 10 CCCE CCOC(=O)C[C@H](O)C(=O)NCc1cccc(OC)c1O 1622773129 WYZRZOREAXWPKL-JTQLQIEISA-N 297.307 0.331 10 10 CCCE C[C@H](O)c1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)cc1Cl 2136290082 YKMHBRZWYKCFCV-VFFVRTRHSA-N 287.743 0.296 10 10 CCCE O=C(N[C@@H](CO)[C@H]1CCOC1)c1cc(O)cs1 1633016434 USLUBAJRULXBIC-CBAPKCEASA-N 257.311 0.581 10 10 CCCE O=C(CO[C@@H]1CCOC1)NCc1c(O)cccc1O 1639289841 YHNHDKDCQUWFHW-SECBINFHSA-N 267.281 0.520 10 10 CCCE CC(C)NC(=O)CCNC(=O)COc1ccc(N)cc1 228304564 TVAIJLPPXSAKBM-UHFFFAOYSA-N 279.340 0.679 10 10 CCCE N[C@H](C[C@@H]1CCCO1)C(=O)NCc1ccccc1O 1926565121 NNHOUTNAFUBXAG-NWDGAFQWSA-N 264.325 0.905 10 10 CCCE CC(=O)C(=O)[C@H](O)c1nn(C)cc1Br 1930534604 GYNFYQGPYJBMEO-MRVPVSSYSA-N 261.075 0.374 10 10 CCCE Nc1cc2c(cc1N(CCO)CC(F)F)NC(=O)CO2 231309004 CMTMSTARTMIZSX-UHFFFAOYSA-N 287.266 0.664 10 10 CCCE CO[C@H](CNC(=O)CCc1ccc(N)cc1)CC(=O)O 232127175 VJIKTYMNYYJRQI-LBPRGKRZSA-N 280.324 0.807 10 10 CCCE C[C@@H](C(=O)O)N1CC(NCc2ccc(F)cc2O)C1 2139774778 AETKSIXIMPWHKV-QMMMGPOBSA-N 268.288 0.778 10 10 CCCE Nc1ccc(N2C[C@@H]3[C@H](CCS3(=O)=O)C2)cc1 1941412358 PXOPXAGABCRRCK-BXKDBHETSA-N 252.339 0.892 10 10 CCCE C[C@H]1C[C@H](N)CN1c1cc2c(cc1N)OCC(=O)N2 1876389974 MGXGHWSSZHJRAT-YUMQZZPRSA-N 262.313 0.526 10 10 CCCE Nc1ccc(OCC(=O)N2CC[C@@H]3CNC[C@H]32)cc1 1876668430 ZAOOIIUXOVHMIL-ZWNOBZJWSA-N 261.325 0.468 10 10 CCCE O=C(N[C@H]1CCOC[C@@H]1CO)c1ccc(O)c(O)c1 1878695516 IMRJZYBNCNXGAE-UWVGGRQHSA-N 267.281 0.225 10 10 CCCE C[C@H](c1ccc(F)cc1O)N1CCNC[C@H]1C(=O)O 251439520 ASBXBKPMTDHUOW-KCJUWKMLSA-N 268.288 0.951 10 10 CCCE CN(C(=O)Cc1ccc(O)c(O)c1)[C@H](CN)C(F)(F)F 2144030636 QKZBSRJIQWARIY-SNVBAGLBSA-N 292.257 0.988 10 10 CCCE C[C@@H](O)[C@@H]1CCN(CC(=O)N(C)c2ccc(N)cc2)C1 167650233 QWOWYXLPYLCEKJ-VXGBXAGGSA-N 277.368 0.934 10 10 CCCE COC[C@@H](O)CN(C)c1ccc2c(c1)NC(=O)[C@@H]2N 42509565 VRKUFCZZEAYOCP-JOYOIKCWSA-N 265.313 0.082 10 10 CCCE CCOC(=O)[C@@]1(c2ccccc2O)COCC(=O)N1 261314558 ALCVJJAYHKZOGC-ZDUSSCGKSA-N 265.265 0.297 10 10 CCCE Cc1nsc(C(=O)C(=O)C[C@H]2C[C@H](N)C2)c1N 2003171841 BREYDDKSLZEAAU-LJGSYFOKSA-N 253.327 0.913 10 10 CCCE COCCN(CCO)c1cc2c(cc1N)NC(=O)CC2 164169013 FWYCSLWBKMSYCO-UHFFFAOYSA-N 279.340 0.599 10 10 CCCE O=C(O)/C=C\C(=O)NCCc1ccc(O)c(O)c1 39899352 NJCXNRIRQCQHDX-ARJAWSKDSA-N 251.238 0.397 10 10 CCCE CCCN(CC(=O)NC)C(=O)COc1ccc(N)cc1 40337676 DROBKFXWMIMZLY-UHFFFAOYSA-N 279.340 0.632 10 10 CCCE COCC[C@@]1(NC(=O)c2cccc(O)c2O)CCNC1 2157553076 FQTXCHXNXAMWTM-AWEZNQCLSA-N 280.324 0.596 10 10 CCCE COC[C@]1(OC)CCN(C(=O)c2cccc(O)c2O)C1 2151851662 MHPKPUWCMVDJMY-AWEZNQCLSA-N 281.308 0.975 10 10 CCCE Nc1ccc(OCCC(=O)NC[C@@H](O)CF)cc1 2032861074 XTHRTCFRUAJMOK-JTQLQIEISA-N 256.277 0.484 10 10 CCCE CC(C)(C)[C@@H](O)Cn1ccc2c(c1=O)CNCC2 2033378250 HUTOWXZOUTUOOI-LBPRGKRZSA-N 250.342 0.901 10 10 CCCE COc1ccc(O)c(CNC[C@H]2COC[C@H]2O)c1 2036567974 KPQMTRRNLZNRRH-GXFFZTMASA-N 253.298 0.498 10 10 CCCE Oc1cc2c(cc1CNCC[C@@]1(O)CCOC1)OCO2 404199369 KPHXCWXJTKQEPA-CQSZACIVSA-N 281.308 0.752 10 10 CCCE O=C1CCC(=O)N1CCNCc1cccc(F)c1O 405438161 NZOWXJAWCLNJSU-UHFFFAOYSA-N 266.272 0.770 10 10 CCCE Oc1cc2c(cc1CN[C@H]1CCOC[C@H]1O)OCO2 706730339 HRECPYMPOFHWEG-GXSJLCMTSA-N 267.281 0.360 10 10 CCCE CN(Cc1nnnn1C)c1ccc(CN)c(F)c1 707665341 OJCLKDULGJBNRZ-UHFFFAOYSA-N 250.281 0.444 10 10 CCCE COCC(COC)NC(=O)[C@@H]1CNc2ccccc2N1 388427781 LJLWSFKAITWPAV-ZDUSSCGKSA-N 279.340 0.670 10 10 CCCE CCN(c1ccc(CNC)c(C)c1)[C@H]1CC(=O)NC1=O 2171194151 ALYOEPJJWQDVAS-ZDUSSCGKSA-N 275.352 0.956 10 10 CCCE COc1cccc(CNC2CS(=O)(=O)C2)c1O 380105057 JMXSBISVVGUSKH-UHFFFAOYSA-N 257.311 0.287 10 10 CCCE Nc1ccc(OCCC(=O)O[C@@H]2CCNC2=O)cc1 691471007 GKGWKDFRJQVTHM-LLVKDONJSA-N 264.281 0.469 10 10 CCCE C[C@H]1[C@@H](NC(=O)c2ccc(O)c(O)c2)CCS1(=O)=O 381867223 MXHHHKYOBUZGNO-CBAPKCEASA-N 285.321 0.403 10 10 CCCE CO[C@H]1CS(=O)(=O)C[C@@H]1N(C)c1ccc(N)cc1 696812221 CMDNXJFLWIIXFM-RYUDHWBXSA-N 270.354 0.517 10 10 CCCE CCc1nc(CNC(=O)Cc2ccc(N)cc2)n[nH]1 392437650 SIAPWQJJJPFOOI-UHFFFAOYSA-N 259.313 0.808 10 10 CCCE Nc1ccc(OCCCN2CC[C@@H](O)[C@H](CO)C2)cc1 396799182 JGQZCANJTJSVCL-SWLSCSKDSA-N 280.368 0.713 10 10 CCCE CC[C@H](O)[C@H](C)NC(=O)c1cnn2c(O)cc(C)nc12 2062369163 RBEBAFPBVPVLDO-WPRPVWTQSA-N 278.312 0.633 10 10 CCCE CN1C(=O)O[C@@H]2CN(C(=O)c3ccc(O)c(O)c3)C[C@H]21 2176924520 QOLLDMUYIWHMQD-LDYMZIIASA-N 278.264 0.373 10 10 CCCE CN(C)c1ccc(CNC(=O)C[C@H]2CNC[C@@H]2O)cc1 2174332938 QTWDXGPOFUCLRT-JSGCOSHPSA-N 277.368 0.339 10 10 CCCE COc1ccc(CN2CC[C@@]3(CNC(=O)N3)C2)c(O)c1 2177680517 MXPYEZVDQSORGY-CQSZACIVSA-N 277.324 0.658 10 10 CCCE NC[C@@]12CN(C(=O)c3ccc(O)c(O)c3)C[C@H]1CCO2 2175181058 FZECWEJGOKHAEV-QMTHXVAHSA-N 278.308 0.288 10 10 CCCE [N-]=[N+]=N[C@@]1(C(=O)O)CCN(C(=O)C(F)(F)F)C1 2081101837 WVVCCJMGCPIKKG-LURJTMIESA-N 252.152 0.915 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3CC[C@H](C4(O)CC4)C3)ccc21 2187049229 UDLJNWDNZRDULP-TVQRCGJNSA-N 273.336 0.990 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@H]2C[C@@H]3CNC[C@@H]3C2)cc1 2191637773 LRLYRLAVABIWMW-DABQJJPHSA-N 295.408 0.686 10 10 CCCE CNC[C@H]1CN(C(=O)CCc2ccc(N)cc2)CCO1 2191706548 KPTKWWOOOGRBMB-AWEZNQCLSA-N 277.368 0.648 10 10 CCCE NC[C@@H]1CN(C(=O)CCc2ccc(N)cc2)CCCO1 2191723937 MHKHBHNELZTUCQ-CQSZACIVSA-N 277.368 0.778 10 10 CCCE C[C@@H](C(=O)NCc1c(O)cccc1O)[C@@H]1CCC(=O)N1 1597574164 JAPYIEBHVDWWBZ-SCZZXKLOSA-N 278.308 0.629 10 10 CCCE O=C(N[C@H]1C[C@@H](c2ncc[nH]2)C1)c1cc(O)nc(O)c1 2181519207 TYOZAGAHSRFXSV-OTSSQURYSA-N 274.280 0.892 10 10 CCCE O=C(N[C@@H]1CCNCC12CC2)c1cc(O)c(O)c(O)c1 2188919265 LQMZNIWRLUBNIJ-LLVKDONJSA-N 278.308 0.675 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1C[C@H]2NCC[C@@H]21 2098553908 DCAYHEBPSPAURC-HBNTYKKESA-N 262.309 0.507 10 10 CCCE COC[C@@](C)(CO)NCc1c(O)cccc1OC 2042578726 DIBXINJJPVFTAC-CYBMUJFWSA-N 255.314 0.888 10 10 CCCE NCC1(O)CCN(Cc2c(O)cccc2F)CC1 2042632532 HRXAGNFZQXKKJH-UHFFFAOYSA-N 254.305 0.817 10 10 CCCE NCC1(C(=O)C(=O)C[C@H]2C[C@H](N)C2)CC(F)(F)C1 2049784133 GUKXHILDAFLBSU-ZKCHVHJHSA-N 260.284 0.626 10 10 CCCE N[C@H](C(=O)C(=O)C[C@H]1C[C@H](N)C1)C1CC(F)(F)C1 2049785455 AWGKFDBWMNWPNN-HKPALBBZSA-N 260.284 0.625 10 10 CCCE NCc1ccc(N2C[C@H](O)[C@H]3COC[C@@H]32)c(F)c1F 2102190432 RYKGQLRGZQLRMD-LSJOCFKGSA-N 270.279 0.619 10 10 CCCE NC(=O)[C@]1(O)CCN(c2ccc3c(c2)CCC[C@@H]3N)C1 2184685334 WNRGUFUIKKDUHW-ZFWWWQNUSA-N 275.352 0.449 10 10 CCCE O=C1N[C@H]2CN(Cc3cc(F)ccc3O)C[C@H]2O1 2056807588 IYMLBQXLBVVEAO-GXSJLCMTSA-N 252.245 0.824 10 10 CCCE CN(C[C@@]1(O)CCOC1)c1ccc2c(c1)NC(=O)[C@H]2N 2185944766 QUQDCIDVWGRQLB-JSGCOSHPSA-N 277.324 0.226 10 10 CCCE CCCC1(NC(=O)c2cc(O)nc(O)c2)CNC1 2070573454 RNRFESZXQIGSTB-UHFFFAOYSA-N 251.286 0.365 10 10 CCCE C[C@]1(O)CCN(CCc2ccc(N)cc2)C[C@H]1O 2077293858 WFALFDJFCJBGLV-KGLIPLIRSA-N 250.342 0.629 10 10 CCCE O=C(NC[C@H]1C=CCN1)c1cc(O)c(O)c(O)c1 2078291150 FSLCAOKJVPXLPN-MRVPVSSYSA-N 250.254 0.061 10 10 CCCE COC[C@](O)(CO)CN[C@H](C)c1cc(O)ccc1O 2102398259 AZOVVHMDVADYPU-NOZJJQNGSA-N 271.313 0.118 10 10 CCCE COC[C@@](O)(CO)CN[C@H](C)c1cc(C)ccc1O 2102400520 ZFSYJKAFVPDRAX-RISCZKNCSA-N 269.341 0.721 10 10 CCCE Nc1ccc(CNC(=O)[C@@H]2OCC[C@H]2C(=O)O)cc1 2105960756 QZQVJGWRLDXKOV-GHMZBOCLSA-N 264.281 0.375 10 10 CCCE Oc1ccc(CNCCc2ncccn2)c(O)c1O 2106931147 IXFTYDOTEUFASO-UHFFFAOYSA-N 261.281 0.926 10 10 CCCE CN[C@H](C)[C@]1(C)CCN1C(=O)c1cc(O)nc(O)c1 2107297650 BGTMQFAJRGEGFM-OQPBUACISA-N 265.313 0.705 10 10 CCCE CN(Cc1ccc(N)cc1)C(=O)c1ncc[nH]c1=O 2110852353 QXJFZNPFQJINRW-UHFFFAOYSA-N 258.281 0.624 10 10 CCCE COc1cc(OC)c([C@@H](O)C(=O)C(C)=O)c(OC)c1 2090885204 UQKDBNDZFGLBBL-CYBMUJFWSA-N 268.265 0.904 10 10 CCCE C[C@H](NCCc1ccc(O)c(O)c1)C1CS(=O)(=O)C1 2091745516 YPJGBZXGRMIZFR-VIFPVBQESA-N 285.365 0.663 10 10 CCCE Cc1cn(CCNC(=O)c2ccc(O)c(O)c2)nn1 2094303198 QJPDABXUCIUMMO-UHFFFAOYSA-N 262.269 0.428 10 10 CCCE NCc1ccc(N2C[C@H]3C[C@@]2(CO)CO3)c(F)c1F 2094651222 LOPPPIHZIFUNPR-NOZJJQNGSA-N 270.279 0.764 10 10 CCCE NCc1ccc(N2CC[C@@H]3CS(=O)(=O)C[C@@H]32)cc1F 2094932384 ZTMJJNLHMGTUAM-MFKMUULPSA-N 284.356 0.908 10 10 CCCE COc1cccc(CN[C@@H]2CN(C)C[C@H]2OC)c1O 2095437251 XTBFKXDQIOQUPD-DGCLKSJQSA-N 266.341 0.819 10 10 CCCE NC[C@@]12CC[C@@](C(=O)C(=O)C[C@H]3C[C@H](N)C3)(CO1)C2 2112562756 PBWLUXLBEQAMPF-NUZBWSBOSA-N 266.341 0.150 10 10 CCCE NCc1ccc(N2CC[C@@H](C(CO)CO)C2)c(F)c1 2114248223 LPPQJGXDWOTKKC-LLVKDONJSA-N 268.332 0.712 10 10 CCCE COc1ccc(CN2CC[C@@H](O)C[C@H]2C(=O)O)c(O)c1 2201081274 FMTDJESDKPUSJX-PWSUYJOCSA-N 281.308 0.811 10 10 CCCE CNCc1ccc(N2CCN(C)[C@H](CO)C2)cc1OC 2204548203 JXENTAFRGRYNGL-AWEZNQCLSA-N 279.384 0.527 10 10 CCCE COc1ccc(N2CC(CO)(CO)C2)c(F)c1F 2219772038 WMDIZXISIHNXMK-UHFFFAOYSA-N 259.252 0.764 10 10 CCCE CO[C@@H]1[C@H](OC)CN(c2ccc([C@@H](C)N)cc2)[C@@H]1CO 2233353953 NNLNFZILBRWRPU-QZKOUSHUSA-N 280.368 0.917 10 10 CCCE COc1ccc(N2C[C@@H](CO)[C@H](CCO)C2)c(C=O)c1 2235988583 QMXLLOROJCZAAN-YPMHNXCESA-N 279.336 0.935 10 10 CCCE COc1ccc(N2CC(S(C)(=O)=O)C2)c(CCN)c1 2227688616 SKBHMDGVRJVFPD-UHFFFAOYSA-N 284.381 0.430 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC3(CCC(=O)N3)C2)cc1 2238036519 RFPVBWAASLPNBW-UHFFFAOYSA-N 295.364 0.063 10 10 CCCE C[C@@]1(O)[C@H]2C[C@@H]1CN(C(=O)c1cc(O)c(O)c(O)c1)C2 2286210692 GFXMCTNTCCVPRJ-QRJZZWFUSA-N 279.292 0.646 10 10 CCCE OCc1cc(F)c(N2CC[C@@H]2[C@@H](O)CO)c(F)c1 2258328647 DYYPZCBVGDOAFO-MNOVXSKESA-N 259.252 0.389 10 10 CCCE CC[C@H](C)[C@@H](NCc1ccc(O)c(O)c1O)C(N)=O 2278760942 WQMHIOACEUYWIV-OIBJUYFYSA-N 268.313 0.793 10 10 CCCE NC[C@@]12C[C@H]1CN(c1cc3c(cc1N)OCC(=O)N3)C2 2288265959 FJCMNWFXGUHEPB-RMLUDKJBSA-N 274.324 0.385 10 10 CCCE OC[C@@H]1CN(c2ccc3c(c2)CCCO3)C[C@H](O)[C@H]1O 2289331180 OOEQTOFHEGMFAG-WHOFXGATSA-N 279.336 0.162 10 10 CCCE O=C(NCCO[C@H]1CCCNC1)c1cccc(O)c1O 2290012735 UUZNOPLXQWTSBR-JTQLQIEISA-N 280.324 0.596 10 10 CCCE CN(Nc1nc(C(C)(C)C(=O)O)cs1)S(C)(=O)=O 2317459355 YOMXVKGTCABQBE-UHFFFAOYSA-N 293.370 0.724 10 10 CCCE Cc1ccc([C@@H](C)N[C@@H]2C[C@H](O)[C@@H](O)[C@H]2O)c(O)c1 2329651150 QMXFLMDQFDPOKZ-YWIKUWRNSA-N 267.325 0.206 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3C[C@@H]4C[C@@H](O)[C@H]3C4)ccc21 2330779313 JLADARDJPWPRJO-LFVLHPMWSA-N 259.309 0.598 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1[C@H]2CC[C@H](C2)[C@H]1CO 2330979329 YCZQYQYEAOSIQL-FKTZTGRPSA-N 264.281 0.478 10 10 CCCE Nc1cc2c(cc1N1C[C@H]3CC[C@@H]1[C@H]3N)OCCO2 2332131978 AXLPIMWVNWQYPF-PWZJLYFZSA-N 261.325 0.966 10 10 CCCE CN1CCCc2cc(N3CC([C@@H](O)CO)C3)ccc21 2336881940 KCPSHGLJXSTYAE-HNNXBMFYSA-N 262.353 0.858 10 10 CCCE CCN(CC(=O)NC)CC(=O)c1ccc(O)c(O)c1 50143116 KBVVYGCNAWNPKM-UHFFFAOYSA-N 266.297 0.348 10 10 CCCE NCc1ccc(N2CCC[C@H](C(N)=O)C2)c(F)c1 20469553 QBCHWARDPHKMBG-JTQLQIEISA-N 251.305 0.986 10 10 CCCE O=[N+]([O-])c1cc(N2C[C@@H]3C[C@H]2[C@@H](O)[C@@H]3O)ccc1CO 2356883810 WCJGIOIOCLVVDD-HWNAMQAFSA-N 280.280 0.017 10 10 CCCE CCN(CC)C(=O)CN(CC(N)=O)Cc1ccc(N)cc1 35366609 ABDIYKZWFHQYAF-UHFFFAOYSA-N 292.383 0.425 10 10 CCCE CC(C)[C@H](C)NC=C1C(=O)N(C)C(=O)N(C)C1=O 72680419 SCRCEDNSMMYRGB-QMMMGPOBSA-N 253.302 0.555 10 10 CCCE CO[C@@H]1COCC[C@@H]1NC(=O)COc1ccc(N)cc1 312319799 DIHCDXZOVOCZEX-QWHCGFSZSA-N 280.324 0.568 10 10 CCCE CN(Cc1ccccc1O)C(=O)C(C)(CO)CO 134496305 ITAAQOPPFDSQGR-UHFFFAOYSA-N 253.298 0.342 10 10 CCCE OCCN(Cc1ccccc1O)C[C@@H]1CCCN1 236501768 XMQGQSOSVFFREZ-ZDUSSCGKSA-N 250.342 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O=C(CCN1C(=O)CSC1=S)NC1CCNCC1 1865765948 QNLIMECJZXZGJO-UHFFFAOYSA-N 287.410 0.105 10 10 CCCE C[C@@H]1CN([C@H](C)C(N)=O)c2cc3c(cc2N1)OCO3 251922713 YBZBUXZNGISXRL-HTQZYQBOSA-N 263.297 0.910 10 10 CCCE CN(C)c1ccc([C@@H]2CN(CC(=O)O)C(=O)N2)cc1 258880598 SNFUHYHXIIYPJJ-NSHDSACASA-N 263.297 0.904 10 10 CCCE Nc1ccc(CC(=O)NC[C@@H]2C[C@@H]3NCC[C@H]32)cc1 2140731875 QVXCEIKWMNQRLL-UBHSHLNASA-N 259.353 0.926 10 10 CCCE Cc1ccc(O)c(CNCC(=O)N2CCCNCC2)c1 1857867933 JGKQCPJHUKFACD-UHFFFAOYSA-N 277.368 0.612 10 10 CCCE Nc1ccc(NC(=O)N[C@@H]2CO[C@@H]3CNC[C@H]23)cc1 1876164578 FRLNXQMAPCRJKM-IJLUTSLNSA-N 262.313 0.377 10 10 CCCE CN(C(=O)CCOc1ccc(N)cc1)[C@H]1CC[C@@H]1N 1876446362 IBFJFWAOUPOXSA-STQMWFEESA-N 263.341 0.986 10 10 CCCE Nc1cccc(C(=O)O)c1N[C@H]1CCNC[C@@H]1CO 1876463895 WMGAXQGHLKUXDJ-KCJUWKMLSA-N 265.313 0.349 10 10 CCCE CN[C@@H]1CCCN(S(=O)(=O)Cc2ccc(N)cc2)C1 1876526692 FGRPOSUSNBHDIF-CYBMUJFWSA-N 283.397 0.782 10 10 CCCE C[C@@H]1NCCN(S(=O)(=O)Cc2ccc(N)cc2)[C@@H]1C 1876531489 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O=C(N[C@@H]1CCC[C@H]1O)c1cc(O)c(O)c(O)c1 170190500 OBQNDVFKLGWTNL-HTQZYQBOSA-N 253.254 0.447 10 10 CCCE CCOC[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 44726991 NKNNWZFQHRMWRS-KOLCDFICSA-N 282.340 0.509 10 10 CCCE CS(=O)(=O)CCOCCOc1ccc(N)cc1 2015765891 HVAGNXKHBXWKAJ-UHFFFAOYSA-N 259.327 0.709 10 10 CCCE C[C@@H](c1ccccc1O)N(C)CCNS(C)(=O)=O 2026864073 NBTZXRNVSQZHIL-JTQLQIEISA-N 272.370 0.934 10 10 CCCE C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C1CNC1 2027475638 USKZSGCRRWZRQC-MRVPVSSYSA-N 250.298 0.364 10 10 CCCE C[C@H](c1cc(O)ccc1O)N1CCOC[C@@H]1CN 2035629166 OJOQFMWSAUJUCZ-ZJUUUORDSA-N 252.314 0.818 10 10 CCCE [N-]=[N+]=N[C@H]1CCCN(C(=O)[C@H]2CCC(=O)N2)CC1 2038002887 QLMVFYKWOSMBBG-DTWKUNHWSA-N 251.290 0.956 10 10 CCCE CN1CCOC[C@H]1C(=O)N1CCC[C@@H](N=[N+]=[N-])C1 2038243643 VMJUGBKOGJSMEL-ZJUUUORDSA-N 253.306 0.618 10 10 CCCE CC(C)[C@](C)(NCc1ccc(O)c(O)c1O)C(N)=O 311977229 LASOPCZAVCFKSG-ZDUSSCGKSA-N 268.313 0.793 10 10 CCCE CCN(C[C@@H](O)CN1CCOCC1)c1ccc(N)cc1 312326135 HACHWBJGJXSJOO-HNNXBMFYSA-N 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C[C@@H]1CN(C(=O)[C@H]2CNc3ccccc3N2)CC(=O)N1 395687773 DPSHXJSHBVHXFJ-BXKDBHETSA-N 274.324 0.240 10 10 CCCE COc1ccc(N2CCN3C(=O)[C@H](N)C[C@H]3C2)c(C)c1 2173419358 ZTVXKRKAYBPZCC-WCQYABFASA-N 275.352 0.752 10 10 CCCE Cc1cc(O)n2ncc(C(=O)N3CCOC[C@H]3C)c2n1 2062848702 AXRQRPSQJICCEP-SECBINFHSA-N 276.296 0.604 10 10 CCCE COc1cc(C(=O)N[C@H](CO)CC2CC2)cc(OC)n1 2166950730 ZWTKDXWVGHYZDW-NSHDSACASA-N 280.324 0.990 10 10 CCCE CN(Cc1ccc(N)cc1)S(=O)(=O)[C@H](C(=O)O)C1CC1 2167059119 FYUZOJQPLHINPF-LBPRGKRZSA-N 298.364 0.894 10 10 CCCE [N-]=[N+]=NCC1CCN(C(=O)[C@@H]2Cc3nncn3C2)CC1 2167732469 QMZSMWBHNZONOJ-SNVBAGLBSA-N 275.316 0.999 10 10 CCCE CC(C)S(=O)(=O)NCCc1ccc(O)c(O)c1 1252562056 VIHNYHUBBMQPKL-UHFFFAOYSA-N 259.327 0.968 10 10 CCCE COc1cc(N2C[C@H](O)C[C@@H]2CN)cc(OC)c1OC 2181955893 SWRPOLGKERSMGE-GHMZBOCLSA-N 282.340 0.611 10 10 CCCE N[C@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)[C@H]1C1CC1 2188914837 CXHTWAWKCCOJGP-CABZTGNLSA-N 278.308 0.755 10 10 CCCE C[C@@H](O)c1ccc(N2C[C@H]3COC[C@@H](C2)[C@H]3O)cc1O 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Nc1ccc(CS(=O)(=O)N2C[C@H](O)C3(CC3)C2)cc1 2093336404 QYNVHOFGRNQOLX-LBPRGKRZSA-N 282.365 0.555 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@@H]3C[C@@H](O)[C@H]3C2)cc1 2095038207 BIJGXNQCIHGJEM-WCFLWFBJSA-N 282.365 0.411 10 10 CCCE N[C@H]1CN(Cc2ccc(O)c(O)c2)[C@]2(CCOC2)C1 2098273528 YONXMPPXCZJEDL-BXUZGUMPSA-N 264.325 0.790 10 10 CCCE CC1(C)C[C@H](O)CN1S(=O)(=O)Cc1ccc(N)cc1 2098606606 ARYXLSIUUUHUEN-LBPRGKRZSA-N 284.381 0.944 10 10 CCCE COc1cc(N2CC[C@](O)(CN(C)C)C2)ccc1CN 2204547761 LKDWFIUBOMJPFK-HNNXBMFYSA-N 279.384 0.657 10 10 CCCE COc1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)cc1Cl 2219762900 RQPUNRQVWNKPTL-NHCYSSNCSA-N 273.716 0.251 10 10 CCCE Cn1nccc1S(=O)(=O)Nc1ccc(O)c(N)c1 2220564493 MEFPWYWMXPFHDA-UHFFFAOYSA-N 268.298 0.509 10 10 CCCE COc1ccc(N2C[C@H]3CCO[C@]3(CO)C2)c(N)c1 2231309926 UNJYYWXHJBKXNZ-YGRLFVJLSA-N 264.325 0.865 10 10 CCCE Nc1ccc(OCCC(=O)N[C@H]2CNC[C@H](F)C2)cc1 2234650565 LIJKNADBQJGJHA-ZYHUDNBSSA-N 281.331 0.854 10 10 CCCE COc1ccc(N(C)[C@@H]2CCS(=O)(=O)C2)c(CCN)c1 2235971550 CNADDBCAYQBLEU-GFCCVEGCSA-N 298.408 0.820 10 10 CCCE Cc1cc(CN)ccc1N1C[C@H]2COC[C@@]2(CO)C1 2226163068 HUNWDOPGMSDYCJ-ZFWWWQNUSA-N 262.353 0.899 10 10 CCCE Cc1cc(N2CC[C@H](O)[C@H](O)CC2)ccc1CO 2256963110 CMBFPNQIFIYTCD-OKILXGFUSA-N 251.326 0.809 10 10 CCCE CSc1ncc(CNC(=O)[C@H]2C[C@@](O)(CN)C2)s1 2257085201 GNHXGQLVVYOUFS-AGGWVSIMSA-N 287.410 0.581 10 10 CCCE CSc1ncc(CNC(=O)C2=NNC(=O)CC2)s1 2257116901 MVUGBELJEYNQIZ-UHFFFAOYSA-N 284.366 0.747 10 10 CCCE Cc1cc(N2CC[C@@H]2[C@H](O)CO)ccc1[C@H](C)O 2258343988 SEALQGJVCWFXNS-ZLKJLUDKSA-N 251.326 0.980 10 10 CCCE CSc1ncc(CN=c2cc(N)n3[nH]cnc3n2)s1 2269268549 WMKJHGSOPIDLOZ-UHFFFAOYSA-N 293.381 0.919 10 10 CCCE CC1(O)[C@H]2C[C@H]1CN(C(=O)Cc1ccc(O)c(O)c1)C2 2286199382 JFAJMBCLIIGZON-QWRGUYRKSA-N 277.320 0.870 10 10 CCCE NCc1nc(CNC(=O)c2cc(O)c(O)c(O)c2)cs1 2286742359 OUQPQAOPBTVTNP-UHFFFAOYSA-N 295.320 0.649 10 10 CCCE C[C@H]1CN(C(=O)c2ccc(O)c(O)c2)CC2(CNC2)O1 2288468599 GEIUBEAVLMFXNN-VIFPVBQESA-N 278.308 0.301 10 10 CCCE C[C@@H](N[C@@H]1CN(C)C[C@H]1O)c1cc(F)ccc1O 2296672012 HLDXMIGCJQAVNY-XTWCZFFVSA-N 254.305 0.857 10 10 CCCE C[P@@]1(=O)C[C@@H](O)[C@H](NCc2ccc(O)cc2O)C1 2310007596 ZMVCJNFPYRABJU-QAMHXRKUSA-N 271.253 0.923 10 10 CCCE Cc1c([C@@H](C)N)ccc(N2CC(O)(CO)C2)c1C 2318392102 RNMBTJNWWRSVQL-LLVKDONJSA-N 250.342 0.867 10 10 CCCE C[C@H](O)c1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)cc1Cl 2332916998 YKMHBRZWYKCFCV-LDICSKNTSA-N 287.743 0.296 10 10 CCCE COC[C@H]1[C@@H](O)[C@@H](O)CN1c1ccc(OC)cc1C 2333689922 XWWYUDKQASAIQL-MELADBBJSA-N 267.325 0.560 10 10 CCCE Nc1ccc(OCCN2C[C@H]3C[C@H](O)[C@@H](O)[C@@H]2C3)cc1 2355355151 TZYGRZGHWDBBGX-KJEVXHAQSA-N 278.352 0.464 10 10 CCCE O=C(N[C@H]1CCCC[C@H]1O)c1cc(O)nc(O)c1 51990591 GFDFXDOXMIGTPS-DTWKUNHWSA-N 252.270 0.526 10 10 CCCE CN1C(=O)[C@@H](O)c2ccc(N3CC[C@@H]4COC[C@H]43)cc21 2357548316 VMFKSNZCUVHKDO-FZQKWOKYSA-N 274.320 0.922 10 10 CCCE C[C@@H]1CN(c2cc3c(cc2N)OCC(=O)N3)C[C@@H]1N(C)C 123428264 BDPKQDVNVCEZHR-RNCFNFMXSA-N 290.367 0.986 10 10 CCCE COc1cccc(CN2CCN3CCOC[C@@H]3C2)c1O 368813203 DIAJYURIOYDGHO-ZDUSSCGKSA-N 278.352 0.917 10 10 CCCE CC(=O)C(=O)COC(=O)CCNC(=O)OCC(F)(F)F 808507269 GLZZGFKIESEKTF-UHFFFAOYSA-N 299.201 0.366 10 10 CCCE CC(=O)C(=O)COC(=O)C[C@@H](C)NC(=O)OC(C)(C)C 808521882 IACITCUVRLBTJJ-MRVPVSSYSA-N 287.312 0.991 10 10 CCCE CC(=O)C(=O)COC(=O)c1c(C)nn2c(C)cc(C)nc12 808506501 MKHYXCHRGUTUOI-UHFFFAOYSA-N 289.291 0.969 10 10 CCCE COC(=O)c1cccc(CC(=O)OCC(=O)C(C)=O)c1 808531674 WOBVDQQLTUYERC-UHFFFAOYSA-N 278.260 0.717 10 10 CCCE Nc1ccc(NC(=O)CN2C[C@@H]3C[C@H](C[C@@H]3O)C2)cc1 2163561868 FNCNDSBMJAXEFC-SUNKGSAMSA-N 275.352 0.910 10 10 CCCE CO[C@H]1CCOC[C@@H]1NC(=O)Cc1ccc(N)cc1 724863094 OUKRUJUNFNZIQL-STQMWFEESA-N 264.325 0.731 10 10 CCCE CC(=O)C(=O)COC(=O)Cn1nnnc1-c1ccsc1 829641510 GGDQHFUKEFWYPA-UHFFFAOYSA-N 294.292 0.103 10 10 CCCE CC(C)(O)[C@H](O)C(=O)N1Cc2cccc(O)c2C1 913726625 UBBCRCVLGMWMBV-LLVKDONJSA-N 251.282 0.366 10 10 CCCE O=S(=O)(NCc1c(O)cccc1F)NC1CC1 921452313 LFYLXHVYBJUSJT-UHFFFAOYSA-N 260.290 0.618 10 10 CCCE CNCC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 851640567 YFAJWUPJPNPJIA-LLVKDONJSA-N 263.341 0.610 10 10 CCCE CN1CCN(C2CN(c3ccc(CN)cc3F)C2)CC1 697955813 OEUYDXLDYIOVQV-UHFFFAOYSA-N 278.375 0.720 10 10 CCCE CNC(=O)NC[C@@H]1CN(C(=O)c2cc(O)cs2)CCO1 862638285 SJLKDRCKOBBLMB-SECBINFHSA-N 299.352 0.224 10 10 CCCE COC1(C)CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1118943767 WRVZKZKLZKUZPG-UHFFFAOYSA-N 290.319 0.482 10 10 CCCE CN(C)S(=O)(=O)N(C)CCCc1ccc(N)cc1 384946872 DWNLWWXZGRQNSB-UHFFFAOYSA-N 271.386 0.940 10 10 CCCE Oc1cc2c(c(O)c1O)CCN[C@@H]2c1cnccn1 75819536 AGKXXPGOVFQVLU-NSHDSACASA-N 259.265 0.829 10 10 CCCE CN(C)c1ccc(Cn2nc(C(N)=O)c3c2CCNC3)cc1 82813434 TYCDGDVLLSRQCY-UHFFFAOYSA-N 299.378 0.742 10 10 CCCE COC(CNCc1ccc(N2CCNCC2)cc1)OC 84846397 GFDQLCHCPLRQJO-UHFFFAOYSA-N 279.384 0.805 10 10 CCCE C[C@@H](CNS(=O)(=O)Cc1ccc(N)cc1)[S@](C)=O 165051993 PEXVTKXOPPPFFS-HUTHGQBESA-N 290.410 0.455 10 10 CCCE C[C@@H]1CNC[C@@H]1CNC(=O)c1ccc(O)c(O)c1 708571234 CTGKHURIVKSGEL-PSASIEDQSA-N 250.298 0.683 10 10 CCCE COC[C@@H](CCNC(=O)Cc1ccc(N)cc1)OC 694322560 FZMOWISNHJVCKL-CYBMUJFWSA-N 266.341 0.979 10 10 CCCE Nc1ccccc1NC1CCN(S(N)(=O)=O)CC1 698646317 KDPHWGASYGRHLV-UHFFFAOYSA-N 270.358 0.349 10 10 CCCE CN1CCN(Cc2cc(N)ccc2O)[C@@H](CO)C1 699451857 WTWMIFFSUILFIV-GFCCVEGCSA-N 251.330 0.083 10 10 CCCE CCCN1CC(=O)N(CCc2ccc(N)cc2)CC1=O 94469083 OSWJVHIRVQREIY-UHFFFAOYSA-N 275.352 0.892 10 10 CCCE COc1cccc(CNC(=O)NC[C@H]2CNC(=O)C2)c1O 1230096945 JNRSIOVDTITFSC-SECBINFHSA-N 293.323 0.336 10 10 CCCE O=C(O)C[C@H]1C(=O)NCCN1Cc1c(O)cccc1Cl 128831797 PKJSIMRBIWYCIK-JTQLQIEISA-N 298.726 0.821 10 10 CCCE NCc1cc(F)c(N2CC3(CNC(=O)N3)C2)c(F)c1 2121214520 RTQLPZLKQICNHP-UHFFFAOYSA-N 268.267 0.295 10 10 CCCE NCc1ccc(N2CC[C@@]3(CNC(=O)N3)C2)c(F)c1 2121212242 YPOGSAUMUPLBLS-CYBMUJFWSA-N 264.304 0.546 10 10 CCCE Nc1ccc(CCN2C[C@@H]3C[C@H](C2)[C@@H](O)[C@@H]3O)cc1 2126154578 VTTYHGXGKDIDTJ-AYRXBEOTSA-N 262.353 0.485 10 10 CCCE Cc1cccc(O)c1CNC1CN([C@H](C)C(=O)O)C1 2131773232 IKHNOIFNFSMRMG-SNVBAGLBSA-N 264.325 0.948 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N(C1CC1)C1COC1 2132413514 NRSOLIXLCKAWLF-UHFFFAOYSA-N 265.265 0.807 10 10 CCCE CC1(C(N)=S)CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2132407591 QFRJVLHFVPJJAB-UHFFFAOYSA-N 282.321 0.552 10 10 CCCE CC[C@@H](CO)NC(=O)CCN1C(=O)CSC1=S 1865764963 JJXSFQTWMUTWAJ-ZETCQYMHSA-N 276.383 0.124 10 10 CCCE CO[C@H]1CS(=O)(=O)C[C@@H]1N1CCC(N=[N+]=[N-])CC1 1912150885 ZSYWQTKUWRUBCJ-UWVGGRQHSA-N 274.346 0.573 10 10 CCCE CSCC[C@H](NC(N)=O)C(=O)N1CC[C@H](N=[N+]=[N-])C1 1912173180 ZPNZVUQKWFIIIQ-YUMQZZPRSA-N 286.361 0.688 10 10 CCCE COc1cc(N2C(=O)[C@H]3CC[C@@H](O3)C2=O)ccc1N 223122609 GTVVGRZCSNFZRQ-NXEZZACHSA-N 262.265 0.698 10 10 CCCE O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1CCCNC1=O 1542943360 ISRUJCBXUWLUCP-MALLOTDXSA-N 290.319 0.753 10 10 CCCE C[C@H](c1ccc(F)cc1O)N(CC(N)=O)CC(=O)O 2136343698 YALAYIARSSFFJE-SSDOTTSWSA-N 270.260 0.464 10 10 CCCE CCS(=O)(=O)N(C)CCNC(=O)Cc1ccc(N)cc1 1926388641 YLFRBIMHIQVJCE-UHFFFAOYSA-N 299.396 0.209 10 10 CCCE COc1cc(N2C[C@@H](OC)C[C@@H]2CO)ccc1CO 2139682371 GWJWEMSTHGHSNM-OLZOCXBDSA-N 267.325 0.774 10 10 CCCE COc1ccc(CN2CCN(CCO)CC2)c(O)c1 154560166 IPTVTSJLODPQDK-UHFFFAOYSA-N 266.341 0.511 10 10 CCCE Cc1ccc(CN2CCOC[C@@]2(CN)CO)c(O)c1 2139775321 JHEXYLMVGQOKJR-CQSZACIVSA-N 266.341 0.223 10 10 CCCE O=[N+]([O-])c1ccc(N2CCS(=O)(=O)CC2)cc1CO 236509057 QRKZUPDHNRKYQM-UHFFFAOYSA-N 286.309 0.322 10 10 CCCE CCOc1cccc(CNCC(=O)Nc2nc[nH]n2)c1O 1857856748 OGBKPMQBPHMZMW-UHFFFAOYSA-N 291.311 0.637 10 10 CCCE O=S1(=O)CC[C@@H]1CNCc1ccc(O)cc1O 1945531046 KMHFAQSJEAZUGO-SNVBAGLBSA-N 257.311 0.375 10 10 CCCE Nc1ccc(CC(=O)N2CCn3nncc3C2)cc1 1160832141 FWHPDVBONCNVGN-UHFFFAOYSA-N 257.297 0.445 10 10 CCCE Nc1cc2c(cc1N1C[C@@H]3C[C@H](C1)C3N)OCCO2 1876391385 POJFMPLITDHSJR-ZAXAGGATSA-N 261.325 0.823 10 10 CCCE Nc1ccc(CC(=O)N2CC[C@H](C3CNC3)C2)cc1 1876480638 SVHRNPYPRKLGFF-LBPRGKRZSA-N 259.353 0.879 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@H]2C[C@@H]3CNC[C@@H]32)cc1 1876453167 IEXZXVRBVVHNLR-KGYLQXTDSA-N 281.381 0.296 10 10 CCCE Nc1ccc(OCc2cn([C@H]3CCNC3=O)nn2)cc1 881293741 RLWPWHKGRWVLPG-LBPRGKRZSA-N 273.296 0.500 10 10 CCCE C[C@H](NC(=O)[C@@]1(CO)CCCN1)c1ccccc1O 1877587301 UCLKIKHBBCIMGN-HZMBPMFUSA-N 264.325 0.684 10 10 CCCE COc1ccc(O)c(CN[C@H]2CCOC[C@H]2CO)c1 1878773237 BSTRLKFXQAKKCS-YPMHNXCESA-N 267.325 0.888 10 10 CCCE N[C@H]1CCCN(c2nnc(-c3ccc(O)c(O)c3)[nH]2)C1 236326141 GBKSPETWEDYQJT-VIFPVBQESA-N 275.312 0.810 10 10 CCCE CCN=c1[nH]ccc(=NCCc2ccc(O)c(O)c2)[nH]1 2148010839 WQKXQUFMWAPUBK-UHFFFAOYSA-N 274.324 0.818 10 10 CCCE Nc1ccc(OCC(=O)O[C@H]2CCCCNC2=O)cc1 41093663 FQQZFWBHCFKZBY-LBPRGKRZSA-N 278.308 0.860 10 10 CCCE CCOC(=O)Cn1nnnc1-c1ccc(O)c(O)c1 259868318 SSXCAYFQIXXUQC-UHFFFAOYSA-N 264.241 0.314 10 10 CCCE COCCNC(=O)[C@@H](C)N(C)Cc1ccc(N)cc1 35360572 QFCOQIBVIMRWRD-LLVKDONJSA-N 265.357 0.852 10 10 CCCE C[C@H](N)c1ccc(N2C[C@@H](CO)[C@@H](CCO)C2)cc1O 2149912740 FSIZDLLFHLLVGX-SRVKXCTJSA-N 280.368 0.839 10 10 CCCE C[C@@]12C[C@H]1CN(C(=O)[C@@H](N)Cc1ccc(O)c(O)c1)C2 2152353613 PLQILVUOHGRONE-PGUXBMHVSA-N 276.336 0.836 10 10 CCCE Nc1ccc(OC[C@H](O)CN2CC[C@]3(CCO3)C2)cc1 2153330053 GAKZBKFTSFGFOS-HIFRSBDPSA-N 278.352 0.873 10 10 CCCE Nc1ccc(CS(=O)(=O)NC[C@H]2C[C@@H]2N)cc1 2016963471 FSZKILOADFRXHN-KOLCDFICSA-N 255.343 0.035 10 10 CCCE CNCc1ccc(N2CCN(S(C)(=O)=O)CC2)cc1 62085590 KVXDKAWNBIXSGC-UHFFFAOYSA-N 283.397 0.488 10 10 CCCE CC1(C)C[C@H](O)CN1C(=O)c1cc(O)nc(O)c1 2037343317 IWZAPRWXWWSFEO-QMMMGPOBSA-N 252.270 0.478 10 10 CCCE CO[C@@H]1COCC[C@@H]1NCc1ccc(O)c(O)c1O 311790981 ZUSUBIQGNPFDDV-GXSJLCMTSA-N 269.297 0.697 10 10 CCCE COc1cc(N)c(N2C[C@@H](O)[C@@H](CO)C2)cc1OC 316581042 VYPPQMYMKMWRRW-LDYMZIIASA-N 268.313 0.075 10 10 CCCE CCNC(=O)[C@H]1CNCCN1Cc1c(O)cccc1F 2160794624 RRECOBRIKRLVNX-GFCCVEGCSA-N 281.331 0.441 10 10 CCCE C[C@H]1CN(C(=O)c2cc(O)nc(O)c2)CCC1=O 701226580 VUVOYUOAMKDTDE-ZETCQYMHSA-N 250.254 0.544 10 10 CCCE CN1CC[C@H](N(C)C(=O)CCc2ccc(N)cc2)C1=O 708539729 DYJCJHVVBWFOFB-ZDUSSCGKSA-N 275.352 0.891 10 10 CCCE COCCN1C[C@H](O)[C@H](OCCc2ccc(N)cc2)C1 2176290678 PQOZMLYNMQILDO-LSDHHAIUSA-N 280.368 0.519 10 10 CCCE CCOC[C@@H](O)CNCc1cc2c(cc1O)OCO2 382443998 REBFLXGEVUAOHS-JTQLQIEISA-N 269.297 0.608 10 10 CCCE CO[C@@H]1CNC[C@@H]1S(=O)(=O)Nc1ccc(O)cc1 722212295 BVBSEMYOMIRQFA-MNOVXSKESA-N 272.326 0.121 10 10 CCCE COc1cccc(CN[C@]2(C)CCC(=O)NC2=O)c1O 2172846501 OGSTVMRZEXNEHW-CQSZACIVSA-N 278.308 0.686 10 10 CCCE O=C(NCc1c(O)cccc1O)[C@@H]1CCN2CCOC[C@@H]12 2064216917 IHRVJWDUMRKMAW-PWSUYJOCSA-N 292.335 0.435 10 10 CCCE Cc1cc(O)n2ncc(C(=O)N(C)[C@H](C)C(C)(C)O)c2n1 2064815999 LJQLITNTKUEXOF-SECBINFHSA-N 292.339 0.975 10 10 CCCE Nc1ccc(CC(=O)N2C[C@H](CC(=O)O)[C@@H](O)C2)cc1 2174347069 HCFUFXXZTYDCRU-JQWIXIFHSA-N 278.308 0.105 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@@H]3[C@H](CO)C[C@H]3C2)cc1 2174306112 DBJIZBFMNRRGEU-OBJOEFQTSA-N 296.392 0.659 10 10 CCCE C[C@@H]1CN(c2ccc(CO)c([N+](=O)[O-])c2)CC(=O)N1C 2188572959 YSMLJWBTGMWQLB-SECBINFHSA-N 279.296 0.754 10 10 CCCE CN1C(=O)[C@@H](O)c2ccc(N3C[C@@H]4[C@H](CO)[C@@H]4C3)cc21 2182047965 UCJQFXOSNYRTAC-OPDFLTKYSA-N 274.320 0.371 10 10 CCCE O=C(NC[C@]1(O)CCCOC1)c1cc(O)c(O)c(O)c1 2188868419 QVWAZNKCECNJMS-CYBMUJFWSA-N 283.280 0.075 10 10 CCCE Oc1cc(-c2nc(Cn3ccnn3)no2)cc(O)c1O 2188908650 DYFUHPUSUNQBRV-UHFFFAOYSA-N 275.224 0.493 10 10 CCCE CO[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)CC[C@@H]1O 2188910055 QZWZBGXJRIALGC-GZMMTYOYSA-N 283.280 0.025 10 10 CCCE CN(C(=O)c1cc(O)c(O)c(O)c1)[C@@H]1CCCNC1=O 2188923293 LSAWTKTXODBMCX-MRVPVSSYSA-N 280.280 0.154 10 10 CCCE CC[C@@H](N)c1ccc(N2CC3(C2)OC[C@H](O)[C@H]3O)cc1 2183627176 OMCQBKGKOAZWIK-HZSPNIEDSA-N 278.352 0.407 10 10 CCCE Nc1ccc(CC(=O)NC2CC(n3ccnn3)C2)cc1 2184085107 DAXSNCMWNLMHMI-UHFFFAOYSA-N 271.324 0.923 10 10 CCCE COc1ccc(N2C[C@H](N)[C@H]3COC[C@@H]32)c(F)c1 2044304935 MMFUBHBIOPQQOU-CDMKHQONSA-N 252.289 0.997 10 10 CCCE Nc1ccc(NC(=O)N[C@@H]2C[C@@H](O)C[C@H]2O)cc1 2046482061 FYEBWGUVSXNYPV-GMTAPVOTSA-N 251.286 0.275 10 10 CCCE CCS(=O)(=O)NC1CN(Cc2ccc(N)cc2)C1 2046965506 ONLNROOLHDEKTP-UHFFFAOYSA-N 269.370 0.392 10 10 CCCE NC(=O)NCCCNC(=O)Nc1ccc(N)cc1 2048896632 LYBRDWYBQFOZSJ-UHFFFAOYSA-N 251.290 0.449 10 10 CCCE NC(=O)[C@]1(O)CCCN(c2ccc3c(c2)CC[C@H]3N)C1 2184730629 XYWGZTGCHGMEQQ-HIFRSBDPSA-N 275.352 0.449 10 10 CCCE C[C@H](O)c1ccc(N2CC(=O)NC[C@H]2C)cc1O 2060843189 PXWPEHXUCIMLFJ-BDAKNGLRSA-N 250.298 0.770 10 10 CCCE O=C1Nc2cc(N3CCC3(CO)CO)c(Cl)cc2[C@H]1O 2194351128 CKYZWORWDWPMMH-LLVKDONJSA-N 298.726 0.259 10 10 CCCE Nc1cc2c(cc1N1CC[C@]3(CCN3)C1)NC(=O)CO2 2191566773 INGPDKZIKIQSBG-CQSZACIVSA-N 274.324 0.542 10 10 CCCE CO[C@@H]1C[C@@H]2C[C@](NCCN=[N+]=[N-])(C(N)=O)[C@H]2C1 2070328541 RIPSTFOSBUUGGS-SDNRWEOFSA-N 253.306 0.555 10 10 CCCE COc1cc(N)c(N(C)C[C@@H](O)CN)cc1OC 2071627301 OWCUWHIFRLVTSY-QMMMGPOBSA-N 255.318 0.042 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@@H]3C[C@@H]3C2=O)cc1 2071731270 VIZRDUZMPJGDHJ-ONGXEEELSA-N 266.322 0.577 10 10 CCCE Nc1ccc(CS(=O)(=O)NC[C@@H]2CCNC23CC3)cc1 2191792052 NPBCKNQNUSOLTH-LBPRGKRZSA-N 295.408 0.830 10 10 CCCE NCc1ncc(NC(=O)COc2ccc(N)cc2)cn1 2199644626 RYUAEFOMOCSRDB-UHFFFAOYSA-N 273.296 0.535 10 10 CCCE Cc1cccc(CNS(=O)(=O)C[C@@H](C)CO)c1O 2084061787 ZASLYOWDEZETMD-VIFPVBQESA-N 273.354 0.748 10 10 CCCE CC(C)(C)NS(=O)(=O)NCCc1ccc(O)c(O)c1 2091754224 TWBFUYGWJAWRNX-UHFFFAOYSA-N 288.369 0.863 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)[C@@H]2CNC[C@@H]2C(F)(F)F)C1 2112573201 JXNHDJMGCIISMG-BGZDPUMWSA-N 278.274 0.650 10 10 CCCE O=C1Nc2cc(N3C[C@@H]4CCO[C@@H]4C3)ccc2[C@H]1O 2115441683 XWQSFGWURGHHNB-ZEGGKSINSA-N 260.293 0.897 10 10 CCCE Nc1ccc(OC[C@@H](O)CN2C[C@H]3C[C@H]2[C@@H]3CO)cc1 2203127606 ADYAHTMDAYEIGW-BQPHKTIFSA-N 278.352 0.321 10 10 CCCE CNCc1ccc(N2CCC[C@H]2[C@@H](O)CO)cc1OC 2204542343 ZHIVSIIGGKUEAY-KBPBESRZSA-N 280.368 0.737 10 10 CCCE Nc1ccc(CCC(=O)N2C[C@H](O)[C@H](O)[C@@H]2CF)cc1 2205597983 BDHLDEZRTONLLU-SGMGOOAPSA-N 282.315 0.104 10 10 CCCE COc1ccc(O)c(CN2CCN(CCCN)CC2)c1 2234448551 BFBQNTFVUGXQBI-UHFFFAOYSA-N 279.384 0.867 10 10 CCCE O=C(N[C@H]1CNC[C@H](F)C1)c1cc(O)c(O)c(O)c1 2226272090 DSDNFXOMJRXVJM-HTQZYQBOSA-N 270.260 0.233 10 10 CCCE COC[C@@H]1[C@@H](O)[C@@H](O)CN1c1ccc(OC)cc1C 2226753579 XWWYUDKQASAIQL-HZSPNIEDSA-N 267.325 0.560 10 10 CCCE CN(C)c1ccc(OCC(=O)NC2CCNCC2)cc1 2237681255 XYULPWCMEJCLSB-UHFFFAOYSA-N 277.368 1.000 10 10 CCCE COc1ccc(N2C[C@@H](O)[C@@H](O)C2(C)C)c(C=O)c1 2227699834 RRCHSAWWYDXCAC-CHWSQXEVSA-N 265.309 0.828 10 10 CCCE NC(=O)[C@@H]1CNCCN1c1ccc(OC(F)F)cc1 2278472544 DMQROXYIMIWYHF-JTQLQIEISA-N 271.267 0.552 10 10 CCCE OC[C@@H]1CO[C@@H]2CN(c3ccc(OCF)cc3)C[C@@H]2O1 2295976409 ZCUDTYUJZALZQE-MCIONIFRSA-N 283.299 0.957 10 10 CCCE COc1ccc(N2CCOC3(CNC3)C2)c([N+](=O)[O-])c1 2288574670 AUTBEVYCKVRZIR-UHFFFAOYSA-N 279.296 0.782 10 10 CCCE COc1cc(OC)c(N(C)CC2(O)CNC2)cc1OC 2289371608 DOEYTFYLIXISNT-UHFFFAOYSA-N 282.340 0.483 10 10 CCCE C[C@H]1C(=O)NCCCN1C(=O)C=Cc1ccc(O)c(O)c1 2311330416 NPIRMSYIXIIJOW-JTQLQIEISA-N 290.319 0.848 10 10 CCCE Nc1ccc(NC[C@]2(O)CCCS(=O)(=O)C2)cc1 2319712604 KSNDPKSOGPVQJW-GFCCVEGCSA-N 270.354 0.620 10 10 CCCE OC[C@H]1[C@@H](O)[C@@H](O)CN1c1ccc(OC2CC2)cc1 2333689039 DIXQCUNZRPDTBB-MELADBBJSA-N 265.309 0.131 10 10 CCCE Cc1cccc(CN=c2cc(C(N)=O)cn[nH]2)c1O 2352141665 UDQIPVLKMVABJX-UHFFFAOYSA-N 258.281 0.624 10 10 CCCE CCNCc1ccc(OC)c(CN2C(=O)COCC2=O)c1 50125612 BSGKBDSMCNIBTQ-UHFFFAOYSA-N 292.335 0.690 10 10 CCCE COCCNC(=O)[C@H](C)NCc1cc2c(cc1O)OCO2 228985528 CEGJIAOLNFUDFQ-VIFPVBQESA-N 296.323 0.362 10 10 CCCE O=S1(=O)C[C@@H](O)[C@@H](Sc2nccs2)C1 40677099 PBMLWCFATKKFNO-RITPCOANSA-N 251.354 0.393 10 10 CCCE C[C@H](O)C[C@@H](C)NS(=O)(=O)Cc1ccc(N)cc1 228055842 IBEVDXOLZCBHHZ-ZJUUUORDSA-N 272.370 0.848 10 10 CCCE CC(C)(O)C(C)(C)NC(=O)c1cc(O)nc(O)c1 228874284 URQRMWYUVSKJCB-UHFFFAOYSA-N 254.286 0.772 10 10 CCCE CC(C)(CNC(=O)c1ccc(O)c(O)c1)C(=O)O 232516536 BKHPGQCGUNHEID-UHFFFAOYSA-N 253.254 0.938 10 10 CCCE C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2O)C[C@@H](CO)O1 249259244 HRMZGUHGGLDCOZ-CABZTGNLSA-N 282.296 0.882 10 10 CCCE CC(=O)C(=O)COC(=O)[C@@H](C)OC[C@H]1CCCO1 808509807 VUGYWIRYEFINDC-NXEZZACHSA-N 258.270 0.272 10 10 CCCE CN(C)c1ccc(CNS(=O)(=O)[C@@H](CO)C2CC2)cc1 2167068918 QHEKUOZENIRQAB-AWEZNQCLSA-N 298.408 0.943 10 10 CCCE NC(=O)CN(Cc1ccc(N)cc1)C(=O)c1cnsn1 2167116060 FWMZNFZHOBRRNN-UHFFFAOYSA-N 291.336 0.248 10 10 CCCE COc1ccc(O)c(CNC(=O)[C@H]2CCNC(=O)CC2)c1 815835184 MDHXVRCTIVCGSI-SNVBAGLBSA-N 292.335 0.933 10 10 CCCE COc1ccc(O)c(CNC(=O)[C@]2(C)C[C@@H](O)CN2C)c1 822304675 SRNZSXYQFLCODI-ABAIWWIYSA-N 294.351 0.472 10 10 CCCE O=C1C[C@H](CCNC(=O)NCc2ccccc2O)CN1 915525508 PRXQLOBIBLNNMM-JTQLQIEISA-N 277.324 0.718 10 10 CCCE CCN(CC(=O)NC)C(=O)Nc1ccc(N)cc1 42517015 KDGNQHYAEHHBEN-UHFFFAOYSA-N 250.302 0.869 10 10 CCCE O=C1CC[C@H](NC(=O)c2cc(O)cs2)CCN1 854938265 GZUAHHOXEYKNDC-ZETCQYMHSA-N 254.311 0.852 10 10 CCCE CCCn1nnnc1C[C@@H](O)Cc1ccc(N)cc1 698853614 SSKAQQAUHJERKP-LBPRGKRZSA-N 261.329 0.811 10 10 CCCE CCO[C@H]1CS(=O)(=O)C[C@H]1Oc1ccc(N)cc1 697087231 OLWITQRJGMCVSH-NWDGAFQWSA-N 271.338 0.850 10 10 CCCE CCOC(=O)C1(c2ccc(O)c(O)c2O)CCNCC1 1952146151 OLZTYKYEUARFSC-UHFFFAOYSA-N 281.308 0.988 10 10 CCCE CN(C)c1ccc(CNC(=O)[C@@H](O)c2cnn(C)c2)cc1 1135825342 PEFPYJKULCGLNR-AWEZNQCLSA-N 288.351 0.836 10 10 CCCE CN1CCc2cc(CNC(=O)COCC(=O)O)ccc21 169817435 XZRGECMNKZTTHA-UHFFFAOYSA-N 278.308 0.396 10 10 CCCE CN(C(=O)c1cc(O)nc(O)c1)[C@H](CO)C(C)(C)C 689281980 XXYXCIPDVILIQE-SECBINFHSA-N 268.313 0.972 10 10 CCCE O=C(NCc1cccc(O)c1O)c1cc(CO)on1 1153797554 BEWJZZHYLJPRQS-UHFFFAOYSA-N 264.237 0.508 10 10 CCCE O=C1c2ccccc2C(=O)C1(Cl)CS(=O)(=O)O 1088688139 OZWFARPHRWEWDW-UHFFFAOYSA-N 274.681 0.931 10 10 CCCE C[C@@H](NC(=O)[C@@H]1COCCN1)c1ccccc1O 877256347 STMQABGDFNVFBL-KOLCDFICSA-N 250.298 0.558 10 10 CCCE Cn1cnc(CCCNC(=O)Cc2ccc(N)cc2)n1 1326358363 JKISEFQLNFQRDT-UHFFFAOYSA-N 273.340 0.689 10 10 CCCE CN1CCc2cc(N3CC[C@H](N)[C@@H](CO)C3)ccc21 2122389107 CFYKLZMZEGZRJD-OCCSQVGLSA-N 261.369 0.825 10 10 CCCE C[C@H](O)c1ccc(N2CCC[C@@H]2[C@@H](O)CO)cc1O 2123173662 XMXDBLMBVNRHIO-BHYNMZESSA-N 267.325 0.768 10 10 CCCE NC(=O)COC1CN(c2ccc3c(c2)CC[C@@H]3N)C1 2128325181 PITFXFRVCWYEIX-ZDUSSCGKSA-N 261.325 0.323 10 10 CCCE COCCOCCNC(=O)c1cc(O)c(O)c(O)c1 2132348019 CEKZWAGFQPYKFR-UHFFFAOYSA-N 271.269 0.196 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@H]2COC[C@H]2C1 2132401606 AMPXZGAGXGSPSD-DTORHVGOSA-N 265.265 0.522 10 10 CCCE C[C@H](c1ccc(O)cc1O)N1CCN[C@@H]2COC[C@H]21 2132559973 OFBCEBCOZJVLKW-OASPWFOLSA-N 264.325 0.831 10 10 CCCE [N-]=[N+]=N[C@H]1CCN(C[C@@H](O)CN2CCOCC2)C1 1912153432 GSXPJBMZNFEORH-QWRGUYRKSA-N 255.322 0.064 10 10 CCCE NC(=O)N=Nc1ccc(C(=O)NCCCOCCO)cc1 1466317378 KTILDRFWGLDZKG-UHFFFAOYSA-N 294.311 0.978 10 10 CCCE O=C(c1c(F)ccc(O)c1O)N1CC[C@@H](O)[C@@H](CO)C1 1472579862 VHALBZDTKITXBX-VXNVDRBHSA-N 285.271 0.052 10 10 CCCE C[C@H](O)c1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CO)cc1Cl 2136290079 YKMHBRZWYKCFCV-GZFGJDTESA-N 287.743 0.296 10 10 CCCE CN(C)/C=C1/SC(=S)N(N2C(=O)CCC2=O)C1=O 1387681 ULNUIWZFNLDFRW-AATRIKPKSA-N 285.350 0.314 10 10 CCCE CO[C@H]1C[C@H](C(=O)O)N(C(=O)CCc2ccc(N)cc2)C1 158131768 KQZPUQXFHOJAMA-QWHCGFSZSA-N 292.335 0.902 10 10 CCCE Oc1ccc(-c2noc(C[C@@H]3COCCN3)n2)cc1O 236580374 UGZIIUQYANODTB-SECBINFHSA-N 277.280 0.679 10 10 CCCE CCOc1ccc(N2C[C@@H](C)NC(=O)[C@H]2CN)cc1 250625463 CZDMXGMAEDAMRQ-ZWNOBZJWSA-N 263.341 0.737 10 10 CCCE [N-]=[N+]=N[C@@H]1C=CC[C@H](C(=O)N2CCO[C@@H](C(=O)O)C2)C1 1887588095 NNUCNOOZSVCRNY-IVZWLZJFSA-N 280.284 0.944 10 10 CCCE C[C@H](NC(=O)C[C@H]1CNCCO1)c1ccccc1O 870988409 OSFMEPFKFRVBJO-QWRGUYRKSA-N 264.325 0.948 10 10 CCCE Nc1ccc(NC(=O)N2CC[C@H](CO)[C@@H](N)C2)cc1 1876162875 MJILELBHHJAEQA-SKDRFNHKSA-N 264.329 0.442 10 10 CCCE NC[C@H]1CCCN(C(=O)COc2ccc(N)cc2)C1 1876442883 JGEODBHGAVBSRB-LLVKDONJSA-N 263.341 0.845 10 10 CCCE Nc1ccc(CS(=O)(=O)NCCC2(N)CCC2)cc1 1876409979 ZXURPYLNIATGTG-UHFFFAOYSA-N 283.397 0.960 10 10 CCCE CO[C@@H]1CC(=O)N(S(=O)(=O)Cc2ccc(N)cc2)C1 1876534558 FTRHUGMILUXGGY-LLVKDONJSA-N 284.337 0.346 10 10 CCCE COC(=O)[C@@H](NCCN=[N+]=[N-])[C@H]1OCCOC1(C)C 1889139903 BTULSQKBXLZMDY-DTWKUNHWSA-N 272.305 0.622 10 10 CCCE O=C(O)C1(O)CN(Cc2cc(F)cc(F)c2O)C1 1968202106 MSDVMVZPTDFVHH-UHFFFAOYSA-N 259.208 0.302 10 10 CCCE C[C@@H]1C[C@H]1C(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 252456273 JNIMROGKOIGPHK-SZEHBUNVSA-N 279.292 0.866 10 10 CCCE CSCC[C@H](N)C(=O)NCCc1ccc(O)c(O)c1 147462166 FCVJLZZVWXRNCW-JTQLQIEISA-N 284.381 0.837 10 10 CCCE Nc1ccc(CNC(=O)[C@@H]2CCCCS2(=O)=O)cc1 167835422 JGVXLRSKHWBDKJ-LBPRGKRZSA-N 282.365 0.852 10 10 CCCE N[C@@H]1C[C@@H]2C[C@@]2(C(=O)NCCc2ccc(O)c(O)c2)C1 2148015984 MOFTYSKSKTVSNK-UEKVPHQBSA-N 276.336 0.884 10 10 CCCE COC(=O)[C@]1(O)CNc2ccc(N(C)C)cc2C1 260785666 PTHQIXIXQORFTC-CYBMUJFWSA-N 250.298 0.625 10 10 CCCE Cc1cc(N2CC[C@@H](N(C)S(C)(=O)=O)C2)ccc1CO 2146929282 YUNGVHQHCDKXTO-CQSZACIVSA-N 298.408 0.957 10 10 CCCE C[C@@H](CC(N)=O)N(C)C(=O)[C@H]1CNc2ccccc2N1 2151340855 ROUIJIXAKFBQJD-JOYOIKCWSA-N 276.340 0.615 10 10 CCCE C[C@@H](CC(N)=O)N(C)c1ccc2c(c1)N(C)C(=O)[C@@H]2O 2151340763 QNBMBMREVFWJAP-ISVAXAHUSA-N 277.324 0.397 10 10 CCCE OCc1ccc(N2CC[C@H](O)[C@H](O)C2)c(Cl)c1 2014979612 PWDMITBJSIDLRP-NWDGAFQWSA-N 257.717 0.764 10 10 CCCE C[C@H](N[C@@H]1CN(C)C[C@H]1O)c1ccc(O)cc1O 2029866735 KYTTXHVTNGGRIE-RLCGTCKNSA-N 252.314 0.423 10 10 CCCE Oc1ccc(CNCC[C@@]2(O)CCOC2)c(O)c1 404133319 AUNLARBUAVJJRX-CYBMUJFWSA-N 253.298 0.729 10 10 CCCE CNCc1ccc(N2C[C@H](OC)C[C@@H]2CO)cc1 311069867 CVWXPDRAXTVTBV-ZIAGYGMSSA-N 250.342 0.992 10 10 CCCE Nc1ccc(O)c(CN2[C@H]3CC[C@H]2[C@H](O)CC[C@H]3O)c1 2161391189 NLRAKLBPLQEGLW-DDHJSBNISA-N 278.352 0.823 10 10 CCCE C[C@@H]1CN(c2ccc3c(c2)NC(=O)[C@H]3N)C[C@@H]1CO 709226046 UBFDQKSNPNDDDJ-KKFJDGPESA-N 261.325 0.703 10 10 CCCE CC[S@](=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 385690521 OJFYTXGBCCJZKQ-ASCAZGACSA-N 273.310 0.367 10 10 CCCE C[C@H](NC[C@H](C)S(N)(=O)=O)c1c(O)cccc1O 398321661 HJFUGAOEMWKVJU-YUMQZZPRSA-N 274.342 0.425 10 10 CCCE O=C1Nc2cc(N3CCO[C@H](CCO)C3)ccc2[C@@H]1O 2172865858 CCOZJAIQVWUWOB-MFKMUULPSA-N 278.308 0.260 10 10 CCCE CCOC1(CO)CN(CC(=O)Nc2ccc(N)cc2)C1 2172991244 POCPZTGUSVTUEF-UHFFFAOYSA-N 279.340 0.291 10 10 CCCE CCC1(C(=O)NCc2c(O)cc(O)cc2O)COC1 2064705010 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COCc1ocnc1[C@H](NCCCN=[N+]=[N-])C(N)=O 2116254743 FSTGPYMJGHHDIL-VIFPVBQESA-N 268.277 0.637 10 10 CCCE CC[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)C(=O)O 1865876206 WZHOTHQUCWKUHB-ZCFIWIBFSA-N 255.226 0.396 10 10 CCCE CCCN(CC(=O)N(C)C)C(=O)Cc1ccc(O)c(O)c1 1291937302 WIWXXCHZGRLNGY-UHFFFAOYSA-N 294.351 0.967 10 10 CCCE COc1ccc(C(=O)NCc2ccc(O)cc2O)nn1 1469160300 QNRAIOJOGXHMHK-UHFFFAOYSA-N 275.264 0.826 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)[C@H]1[C@H]2OCC[C@@H]21 2119808793 HODZUIRDIMTYJY-WQAKAFBOSA-N 263.293 0.791 10 10 CCCE NC(=O)N1CC(CNCc2cc(F)ccc2O)C1 1875453222 DJOGTPREONLSCS-UHFFFAOYSA-N 253.277 0.631 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCN(C[C@@H](O)CN2CCOCC2)C1 1912162410 VQQVGRGVUBTKGX-RYUDHWBXSA-N 269.349 0.312 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN(Cc2nc(=N)[nH]c(=N)[nH]2)C1 1912173259 KJFWFLCQFSFBDS-SSDOTTSWSA-N 263.309 0.219 10 10 CCCE NC(=O)N=Nc1ccc(C(=O)NC[C@]2(O)CCOC2)cc1 1566467089 OSGCMFYEIGPHOY-CYBMUJFWSA-N 292.295 0.730 10 10 CCCE C[C@@H]1CO[C@H](CO)CN1C(=O)CCOc1ccc(N)cc1 166932986 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O=c1c2c(ccn1C[C@@H](O)c1cccnc1)CCNC2 2155665269 LEDSQNRJYCNDEL-CQSZACIVSA-N 271.320 0.623 10 10 CCCE Cn1cc(CN(CC(N)=O)Cc2ccc(N)cc2)cn1 50540186 UKPXKEHDOSTSFW-UHFFFAOYSA-N 273.340 0.490 10 10 CCCE CN[C@H](c1ccccc1O)C(O)(COC)COC 2031160392 OHFWTJYOZZEDPN-GFCCVEGCSA-N 255.314 0.677 10 10 CCCE O=C(NC[C@@H]1CO[C@H]2COC[C@H]12)c1cccc(O)c1O 2158066154 REWDEVZPUWOGRG-UISBYWKRSA-N 279.292 0.489 10 10 CCCE COc1cccc(O)c1CNCCN1CCC(O)CC1 2160727971 FCGHBSGKLXEDPA-UHFFFAOYSA-N 280.368 0.947 10 10 CCCE O=[N+]([O-])c1cc(CO)ccc1N1C[C@H]2C[C@H]1[C@H](O)[C@H]2O 2160702482 DDTPBFOLPDWNOC-YJRXYDGGSA-N 280.280 0.017 10 10 CCCE C[C@@]12CNC[C@H]1CN(C(=O)c1ccc(O)c(O)c1)C2 702125682 PGLPILJYBRBGAD-HZMBPMFUSA-N 262.309 0.779 10 10 CCCE CC(C)N(CC(N)=O)c1ccc2c(c1)NC(=O)[C@H]2N 704566800 AMNSPDWZTAYELE-LBPRGKRZSA-N 262.313 0.339 10 10 CCCE CN1CCCN(C(=O)c2cccc(O)c2O)CC1=O 364001851 UKRKRQPIAQSJPU-UHFFFAOYSA-N 264.281 0.402 10 10 CCCE C[C@H]1CN(C(=O)c2cc(O)nc(O)c2)C[C@H](C)C1O 688133087 FRXJFIDJOXDYIL-YUMQZZPRSA-N 266.297 0.582 10 10 CCCE Nc1ccc(NC(=O)CN(CCO)CC2CC2)cc1 688445928 XIEIDHMUEBSHES-UHFFFAOYSA-N 263.341 0.912 10 10 CCCE C[C@@H](c1cc(F)ccc1O)N1CCOC[C@]1(CN)CO 693978270 OJKKHLCSKNTADI-HZMBPMFUSA-N 284.331 0.614 10 10 CCCE O=C([C@H]1CNc2ccccc2N1)N1C[C@H]2COC[C@H]2C1 718233825 HXAFVNCKDDAAJD-UHIISALHSA-N 273.336 0.997 10 10 CCCE CO[C@@H]1C[C@H](CN)N(C(=O)c2cccc(O)c2O)C1 388994783 TUUXEKXCMQOXTL-RKDXNWHRSA-N 266.297 0.286 10 10 CCCE CC1(C)SC[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 393777541 OEGYPUBTNBLIJE-CABZTGNLSA-N 296.392 0.978 10 10 CCCE CCOc1cccc(CNC[C@@H](C)S(N)(=O)=O)c1O 398219436 BRRMRUIIRHQFKJ-SECBINFHSA-N 288.369 0.558 10 10 CCCE Nc1ccc(CCCN2C[C@@H](O)[C@@H](CC(=O)O)C2)cc1 2179711264 VPDCYERVXKWDLI-GXTWGEPZSA-N 278.352 0.969 10 10 CCCE O=C(NCCN1CCCNCC1)c1ccc(O)c(O)c1 2168293755 IXNJTMMZQMUUSN-UHFFFAOYSA-N 279.340 0.123 10 10 CCCE C[C@@H](NC(=O)Cn1cc(CN)nn1)c1ccccc1O 2192622467 NONLARFRGPXHMN-SECBINFHSA-N 275.312 0.320 10 10 CCCE COC(=O)[C@@H](CN[C@@H](C)c1ccccc1O)NC(C)=O 2192602036 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Cc1cc([C@H](C)N)ccc1N1CC([C@@H](O)CO)C1 2315146399 JANOEAPNJXHPAR-HZMBPMFUSA-N 250.342 0.804 10 10 CCCE COc1ccc(N2CC([C@@H](O)CO)C2)cc1OC 2315265714 YFVXSNQSOJUTFK-NSHDSACASA-N 253.298 0.493 10 10 CCCE C[C@H](CN1CCc2cc(O)c(O)cc2C1)C(N)=O 2318673712 RTAQVMDQOZUTQS-MRVPVSSYSA-N 250.298 0.577 10 10 CCCE OCCC1(O)CN(c2ccc(CO)c(C3CC3)c2)C1 2339165671 KXYFTWMUGKZWSO-UHFFFAOYSA-N 263.337 0.990 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1C[C@@H]2C[C@H]1CN2 2341065719 SWHLHACRDDXGJP-GARJFASQSA-N 262.309 0.507 10 10 CCCE CN(C(=O)CCc1ccc(N)cc1)[C@@H]1CNC[C@H]1F 2343633800 GNGYTMAHOZVOBJ-CHWSQXEVSA-N 265.332 0.970 10 10 CCCE O=C(N[C@H]1CC[C@@H]2C[C@]12CO)c1cc(O)c(O)c(O)c1 2356975340 RTUNUEZWUCJMTF-FDLBOYPASA-N 279.292 0.694 10 10 CCCE Cn1cc(S(=O)(=O)NCc2ccc(N)cc2)cn1 36288629 GXAYKPWBYVZAGT-UHFFFAOYSA-N 266.326 0.481 10 10 CCCE O=C(N[C@@H](C(=O)O)C1CC1)c1cccc(O)c1O 126018333 UTVQQXYKCJMJQZ-SECBINFHSA-N 251.238 0.691 10 10 CCCE COCC[S@](=O)[C@@H](C)C(=O)Nc1ccc(N)cc1 40970629 HYSLIGWTIDRBRW-NIVTXAMTSA-N 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10 10 CCCE NCc1ccc(N2CC3(C2)OC[C@H](O)[C@H]3O)cc1Cl 2127250278 ICJBPGDETGOJJV-NWDGAFQWSA-N 284.743 0.110 10 10 CCCE OC[C@H]1C[C@@H](CO)N(c2ccc3c(c2)CC[C@H]3O)C1 2128321527 LKGFKMDECCSZBT-VZJVUDMVSA-N 263.337 0.846 10 10 CCCE OC[C@H]1C[C@H](CO)N(c2ccc3c(c2)CC[C@@H]3O)C1 2128324884 LKGFKMDECCSZBT-ZBINZKHDSA-N 263.337 0.846 10 10 CCCE O=C(N[C@@H]1CC[C@@H]2C[C@@]21CO)c1ccc(O)c(O)c1 2132099394 CJFIKNIEZSCTPJ-GAJTVXKRSA-N 263.293 0.989 10 10 CCCE Nc1ccc(OCCS(=O)(=O)NCC=CCO)cc1 1911811925 OMYBBQIIQMCNPI-UHFFFAOYSA-N 286.353 0.116 10 10 CCCE CN(CCCN=[N+]=[N-])C(=O)[C@H]1CCS(=O)(=O)C1 1912178364 MRSPUZZHOASHCP-QMMMGPOBSA-N 260.319 0.580 10 10 CCCE CCOC(=O)NS(=O)(=O)N1CC[C@@H](N=[N+]=[N-])C1 1912191373 QYASLTLTGMEUSN-ZCFIWIBFSA-N 263.279 0.362 10 10 CCCE Cn1cnnc1CCNCc1cc2c(cc1O)OCO2 109422846 TVVHIYXMBVCTKO-UHFFFAOYSA-N 276.296 0.582 10 10 CCCE C[C@H](CC[S@](C)=O)NC(=O)Cc1ccc(O)c(O)c1 1544807997 PTKYXVZVAFFOGR-HOGDKLEQSA-N 285.365 0.914 10 10 CCCE CN(C)[C@H]1COC[C@@H]1CNCc1cccc(O)c1O 1924668258 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CNC(=O)[C@@H](C)N(CCCN)c1ccc(OC)cc1 37298619 PHSLWHXCDKXTIE-LLVKDONJSA-N 265.357 0.985 10 10 CCCE O=C(N[C@H]1COCC[C@H]1C(=O)O)c1cccc(O)c1O 2159036197 PBGIXJVNACLNAR-APPZFPTMSA-N 281.264 0.317 10 10 CCCE COc1ccc(O)c(CN2C[C@H](N)C[C@@H](C(N)=O)C2)c1 2151020142 AMQGHKSLFUIMTF-GHMZBOCLSA-N 279.340 0.035 10 10 CCCE O=C(O)[C@@H]1CSCCN(C(=O)c2cc(O)nc(O)c2)C1 2153613227 MFLWUFUTTBILIN-QMMMGPOBSA-N 298.320 0.383 10 10 CCCE CC(C)OCCN(CC(N)=O)Cc1ccc(N)cc1 49259860 SIEIBGBXFREBAB-UHFFFAOYSA-N 265.357 0.981 10 10 CCCE N[C@@H]1CCC[C@H]1CNC(=O)c1cc(O)nc(O)c1 2027287062 NUWRFSVCKSSAJB-IONNQARKSA-N 251.286 0.350 10 10 CCCE CN(c1ccc(N)cc1)S(=O)(=O)c1cnn(C)n1 2027811380 BOUGMHQNMKAECR-UHFFFAOYSA-N 267.314 0.222 10 10 CCCE CN(Cc1ccccc1O)C[C@@H](O)CN1CCCC1=O 305181028 BMKDGEYXQIZIRK-CYBMUJFWSA-N 278.352 0.807 10 10 CCCE CC[C@@H]1CN(C(=O)c2ccc(O)c(O)c2)C[C@H]1O 400472957 YKBMMGOFBYYKAZ-PRHODGIISA-N 251.282 0.941 10 10 CCCE Nc1ccc(OC[C@@H](O)CN(CCCO)C2CC2)cc1 404189896 DWLYZXAQFSKNRV-AWEZNQCLSA-N 280.368 0.855 10 10 CCCE [N-]=[N+]=NCCNC(=O)Cn1nnc(-c2ccco2)n1 701291996 SNCWCSZGCVBGPS-UHFFFAOYSA-N 262.233 0.360 10 10 CCCE Nc1ccc(NC(=O)N[C@@H]2CCOC[C@H]2O)cc1 707056026 BPEBPDZAWUDHID-GHMZBOCLSA-N 251.286 0.540 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@H]1OCC[C@@H]1CN 715400459 QUSPFQDGLKGLIK-MFKMUULPSA-N 264.325 0.714 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CCS[C@H](CO)C1 720035809 GJFRNQSVPFGFIG-QMMMGPOBSA-N 270.310 0.043 10 10 CCCE COC(=O)[C@](C)(NCCN=[N+]=[N-])[C@H]1CCCNC1 722088984 VRSJYNCCXNHBCS-GXSJLCMTSA-N 255.322 0.818 10 10 CCCE O=S(=O)(C[C@@H]1CCNC1)Nc1ccc(O)cc1 722212766 IKIYUDQKXIXSPJ-SECBINFHSA-N 256.327 0.743 10 10 CCCE C[C@H](N[C@@H]1CN(C)NC1=O)c1ccc(N(C)C)cc1 393924219 PFVMOMCEXQQNTA-GXFFZTMASA-N 262.357 0.748 10 10 CCCE CNC(=O)CCCNC(=O)c1cccc(O)c1O 398149749 YKHLDKTVPPFIME-UHFFFAOYSA-N 252.270 0.354 10 10 CCCE CNC(=O)[C@@H]1CCN(c2ccc(CN)cc2F)C1 398498724 WMPVHFDEIOLGIX-SNVBAGLBSA-N 251.305 0.857 10 10 CCCE CN(CC[S@@](C)=O)C(=O)COc1ccc(N)cc1 399006046 YSXCDKGUMIEFQV-GOSISDBHSA-N 270.354 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266.341 0.717 10 10 CCCE CN(C)c1ccc(CNC(=O)[C@@H](N)C2COC2)cc1 2104895395 ZIGBABKVFLANKY-ZDUSSCGKSA-N 263.341 0.343 10 10 CCCE O=C(c1cccc(O)c1O)N1C[C@@H]2C[C@H](C[C@@H]2O)C1 2107286576 RSEVTCIUWJXQRH-PTRXPTGYSA-N 263.293 0.941 10 10 CCCE CO[C@H]1C[C@](O)([C@H](N)c2ccccc2O)C[C@H]1OC 2109818823 XTOPDXUJVRGUNC-RQJABVFESA-N 267.325 0.947 10 10 CCCE O=C(NC[C@H]1CCCNCC1)c1cc(O)nc(O)c1 2090448454 RNOOOPCVPRABOE-VIFPVBQESA-N 265.313 0.612 10 10 CCCE CCN[C@@H](c1ccccc1O)[C@H](O)c1cnnn1C 2091861221 ZJTYYEUTDKFFIQ-QWHCGFSZSA-N 262.313 0.905 10 10 CCCE Nc1ccc(NC(=O)COC[C@H]2COCCO2)cc1 2097725142 AWCHTHYHRFCZEL-GFCCVEGCSA-N 266.297 0.639 10 10 CCCE NCc1ccc(N2CCN3C(=O)OC[C@@H]3C2)c(F)c1 2114271666 JZLROGUWGDQIST-JTQLQIEISA-N 265.288 0.925 10 10 CCCE N[C@@H]1[C@H](NC(=O)c2cccc(O)c2O)COC12CCC2 2206477242 IIWJQJDEXMUNAU-BXKDBHETSA-N 278.308 0.476 10 10 CCCE [N-]=[N+]=N[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCC(=O)NC1 2218742658 GZZBFSZTHFCXJX-IWSPIJDZSA-N 251.290 0.860 10 10 CCCE COc1ccc(N2CC[C@](O)(CO)C2)c(OC)c1 2219645176 MRCLKQWACGGLOH-CYBMUJFWSA-N 253.298 0.637 10 10 CCCE COC[C@@H]1[C@@H](O)[C@@H](O)CN1c1ccc2c(c1)COCC2 2235068755 FKQWJXZELJIUTH-QLFBSQMISA-N 279.336 0.316 10 10 CCCE COc1ccc(N2C[C@@H](CO)C[C@@H](CO)C2)c(CN)c1 2236630787 YAFLABJPHNAWCJ-TXEJJXNPSA-N 280.368 0.581 10 10 CCCE COc1ccc(N2CC3(C2)OC[C@@H](O)[C@@H]3O)c(F)c1 2226773395 COQULTIVFBQFBT-NEPJUHHUSA-N 269.272 0.145 10 10 CCCE COc1ccc(N2CC[C@H](O)[C@H](O)CC2)c([N+](=O)[O-])c1 2284565405 KQHYYEOVAGNHAS-BETUJISGSA-N 282.296 0.925 10 10 CCCE CSc1ncc(CNC(=O)CN[C@@H]2CCOC2)s1 2259886694 ZUAYUIDJAYTUQO-MRVPVSSYSA-N 287.410 0.860 10 10 CCCE COCCN(CCOc1ccc(N)cc1)C[C@H](C)O 2272518005 LEUMDDQKYGSVSO-LBPRGKRZSA-N 268.357 0.977 10 10 CCCE COc1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CO)c2c1CCC2 2284601247 ZGRPXEKLRCHMKJ-IPYPFGDCSA-N 279.336 0.087 10 10 CCCE COc1cc(N2C[C@H]3OCC[C@]3(CO)C2)ccc1CN 2296448130 HVTPMVTZOOWFJW-HUUCEWRRSA-N 278.352 0.742 10 10 CCCE CC[C@H]1[C@@H](O)CCN1C[C@@H](O)COc1ccc(N)cc1 2288934739 KBHGLRZJVUACGJ-SNPRPXQTSA-N 280.368 0.854 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3C[C@@H](O)[C@H](F)C3)ccc21 2308251499 VABWYPHRAIWSRM-FBIMIBRVSA-N 251.261 0.158 10 10 CCCE NCCOCCN1CCc2cc(O)c(O)cc2C1 2318673995 WFEMCYZQMKESLX-UHFFFAOYSA-N 252.314 0.431 10 10 CCCE O=C(N[C@H]1C[C@H](CO)[C@H]2C[C@@H]12)c1cccc(O)c1O 2329879574 ILYDWVQMZGIGBG-WKJUBOCMSA-N 263.293 0.845 10 10 CCCE N[C@H]1C[C@@H]2C[C@H](NC(=O)c3ccc(O)c(O)c3)C[C@H]12 2333022657 FCYVLIJPNSPACT-NAKRPEOUSA-N 262.309 0.953 10 10 CCCE [N-]=[N+]=N[C@H]1CCCN([C@@H]2CC(CO)(CO)C[C@H]2O)C1 2333299944 GOVKBXLCOFAWKJ-HBNTYKKESA-N 270.333 0.255 10 10 CCCE [N-]=[N+]=N[C@H]1CCC[C@H]1NC(=O)[C@@H]1CC[C@@H](C(=O)O)O1 2333612258 KIQSXJRHBAWTFD-XGEHTFHBSA-N 268.273 0.966 10 10 CCCE CNCc1ccc(N2C[C@H]3CS(=O)(=O)[C@H]3C2)c(F)c1 2336472237 ZVWXWISRXFREFE-GWCFXTLKSA-N 284.356 0.778 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)[C@@H]2COC[C@@H]2C(=O)O)C1 2338347484 IGUYAWKWGXUUJS-YIZRAAEISA-N 268.273 0.492 10 10 CCCE CN(NCc1ccc(O)c(O)c1)S(=O)(=O)C1CCC1 2339769154 HCIUXTBDGZCVAQ-UHFFFAOYSA-N 286.353 0.917 10 10 CCCE O=C1CC[C@H](C(=O)NCc2cccc(O)c2O)O1 1349079998 WGOHIXPKGYJNFN-SECBINFHSA-N 251.238 0.420 10 10 CCCE C[C@@H](NCCS(N)(=O)=O)c1cc(O)ccc1O 36745290 NTJZOWAJHZICSG-SSDOTTSWSA-N 260.315 0.037 10 10 CCCE CN1CCC(OC(=O)[C@H](N)Cc2ccc(O)c(O)c2)CC1 41019179 QLQCMHABABZGOR-GFCCVEGCSA-N 294.351 0.605 10 10 CCCE C[C@@H](O)CCNC(=O)CCOc1ccc(N)cc1 85962327 ZVWXGTLFFWQPMC-SNVBAGLBSA-N 252.314 0.925 10 10 CCCE O=C(N[C@@H]1C=C[C@@H](C(=O)O)C1)c1cc(O)nc(O)c1 92177668 LPMCOEQRRMEUKG-HTRCEHHLSA-N 264.237 0.252 10 10 CCCE C[C@@H]1CN(C(=O)c2ccc(O)c(O)c2)C[C@@H](CN)O1 235357246 PLVAXBMMVAGSOH-PSASIEDQSA-N 266.297 0.286 10 10 CCCE N[C@H](CO)c1cc(C(=O)O)cc(Br)c1O 95717760 XEIZVXOJAAMKKG-SSDOTTSWSA-N 276.086 0.845 10 10 CCCE CC(=O)C(=O)COC(=O)Cc1ccc(C)c(O)c1 808533579 RLKRXIMZOXFCMC-UHFFFAOYSA-N 250.250 0.944 10 10 CCCE COc1nccc(Cn2ccc3c(c2=O)CNCC3)n1 2163845122 RZCWGHMNDJTNHZ-UHFFFAOYSA-N 272.308 0.341 10 10 CCCE C[C@H](N)c1ccc(N2CCN(CC(N)=O)CC2)cc1Cl 723181218 DTXARBLLMCADOM-JTQLQIEISA-N 296.802 0.967 10 10 CCCE COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2COC(=O)N2)c1 827304115 UAKGUFXUPPCLMY-XVKPBYJWSA-N 280.280 0.686 10 10 CCCE C[C@H](O)[C@@H]1CN(C(=O)c2cc(O)cs2)CCO1 854950322 ITYBBSJTXJWSMI-CBAPKCEASA-N 257.311 0.676 10 10 CCCE COc1ccc(N2CC[C@H](NC(=O)[C@H](C)O)C2)cc1 855228295 YUPGVHZBBHYQIH-QWRGUYRKSA-N 264.325 0.771 10 10 CCCE CCCS(=O)(=O)CC(=O)NCc1c(O)cccc1F 928711651 KPLWTINNHPPVGS-UHFFFAOYSA-N 289.328 0.972 10 10 CCCE CC(=O)C(=O)COC(=O)[C@@]1(C)COc2ccccc2O1 860182828 UARCZDITWYXLCB-CQSZACIVSA-N 278.260 0.918 10 10 CCCE O=C([C@@H]1CCc2nnnn2CC1)N1Cc2cccc(O)c2C1 871205928 OBBPDNWVGWINDG-SNVBAGLBSA-N 299.334 0.874 10 10 CCCE COCCCNC(=O)[C@@H](N)c1cccc(F)c1O 83414803 NZAHVRYJPSDVFR-JTQLQIEISA-N 256.277 0.684 10 10 CCCE COC(=O)[C@@H](O)CCNCc1cc(O)ccc1O 83408759 WKXLOQHCMIPMDK-NSHDSACASA-N 255.270 0.111 10 10 CCCE COc1ccc(O)c([C@@H](C(=O)O)N2C(=O)CCC2=O)c1 83587880 BVRSTLBTQQBWHD-LBPRGKRZSA-N 279.248 0.676 10 10 CCCE Oc1ccc2c(c1O)CCN[C@H]2[C@H]1C[C@@H](O)CN1 75794178 LJLCQBKYFNSLDS-NYRNMGCKSA-N 250.298 0.007 10 10 CCCE CC(=O)NCCNCc1ccc(N2CCC(O)CC2)cc1 76275587 WEHFFGVRDPLLSW-UHFFFAOYSA-N 291.395 0.873 10 10 CCCE O=C(NCc1ccc(O)c(O)c1)[C@@H](O)c1ccccn1 1137443315 LBACBMNGVQDHCJ-ZDUSSCGKSA-N 274.276 0.843 10 10 CCCE COc1ccc(CNC[C@@H]2CCO[C@@H]2C(=O)O)c(O)c1 716177216 VJUDELDAZKAWGD-GWCFXTLKSA-N 281.308 0.980 10 10 CCCE CC[C@H]1NCC[C@H]1NC(=O)c1cc(O)nc(O)c1 704608656 MXAZTADYWHWWPV-RKDXNWHRSA-N 251.286 0.363 10 10 CCCE C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)COc1ccc(N)cc1 711652486 DLEOWZXPMCCBSB-JOYOIKCWSA-N 298.364 0.197 10 10 CCCE Nc1ccc(CCC(=O)N2CCn3cnnc3C2)cc1 81133840 KCXKBLOBOOQDMB-UHFFFAOYSA-N 271.324 0.835 10 10 CCCE O=C(O)CS(=O)(=O)Nc1ccc(O)cc1Cl 693912271 DTIWJTNDVMVGSK-UHFFFAOYSA-N 265.674 0.872 10 10 CCCE COC[C@@H](CCNC(=O)COc1ccc(N)cc1)OC 694341576 COCWQIHDWIWJDJ-CYBMUJFWSA-N 282.340 0.815 10 10 CCCE O=C(NCc1c(O)cccc1O)c1cnn(CCO)c1 1178916837 CTWKIUPKBROOCG-UHFFFAOYSA-N 277.280 0.217 10 10 CCCE C[C@@H](CN(CC(N)=O)Cc1ccc(N)cc1)N(C)C 2121118911 XNYVDQLRYDBBMG-NSHDSACASA-N 264.373 0.506 10 10 CCCE C[C@H](c1cc(O)ccc1O)N1CC[C@H](CO)[C@@H](N)C1 2122333561 FUQXXSDAJRSXNG-BREBYQMCSA-N 266.341 0.800 10 10 CCCE CN1CCCc2cc(CNCC(CO)CO)ccc21 2123222397 HRXYNAQHLQWHGC-UHFFFAOYSA-N 264.369 0.759 10 10 CCCE Nc1ccc(NC(=O)N2CCC[C@@H]2[C@H](O)CO)cc1 2123221034 VEJRWMFYYCKOSG-VXGBXAGGSA-N 265.313 0.618 10 10 CCCE C[C@H](N[C@@H]1[C@H]2CS(=O)(=O)C[C@H]21)c1cc(O)ccc1O 2118008377 BRCRLLLMRXYQMA-UVRHIYEWSA-N 283.349 0.791 10 10 CCCE COc1ccc(N(C)C[C@@H]2NCC[C@H](O)[C@H]2O)cc1 2127628546 CPPFMAVCBWLDND-IHRRRGAJSA-N 266.341 0.215 10 10 CCCE COc1ccc(N(C)C[C@@H]2NCC[C@@H](O)[C@H]2O)cc1 2127628550 CPPFMAVCBWLDND-MJBXVCDLSA-N 266.341 0.215 10 10 CCCE CCN=c1nncc(N(C)Cc2ccc(N)cc2)[nH]1 2127974546 UMZVPJQKTDOWLE-UHFFFAOYSA-N 258.329 0.944 10 10 CCCE CN(C)c1ccc(CNc2cn[nH]c(=NN)c2)cc1 2131120382 FGPMJYRRRNAEEU-UHFFFAOYSA-N 258.329 0.862 10 10 CCCE CN1CCO[C@H](C(=O)N2CCC[C@@H](CN=[N+]=[N-])C2)C1 2131265901 JBZLSVMYWIEMLH-QWRGUYRKSA-N 267.333 0.866 10 10 CCCE CC(C)[C@H](CNC(=O)c1cc(O)c(O)c(O)c1)ON 2132409173 CIIBPWKCZVEELK-JTQLQIEISA-N 270.285 0.448 10 10 CCCE O=C(N[C@H]1C[C@@H]([C@@H](F)CO)C1)c1cccc(O)c1O 1906453604 PUMUWLKJUURNRW-XKSSXDPKSA-N 269.272 0.937 10 10 CCCE CN[C@H](c1ccccc1O)[C@H](O)c1nc(C)n(C)n1 2134183642 HQIIUQBHEBUIJG-NEPJUHHUSA-N 262.313 0.823 10 10 CCCE CO[C@@H]1CS(=O)(=O)C[C@@H]1N1CC[C@H](CN=[N+]=[N-])C1 1912146697 DHZONUCEGTUISU-KXUCPTDWSA-N 274.346 0.431 10 10 CCCE CC(C)([C@H]1CCCO1)[C@@H](NCCN=[N+]=[N-])C(N)=O 1912187172 IGRXYODBYKTXSY-BDAKNGLRSA-N 255.322 0.945 10 10 CCCE C[C@H]1CN(c2ccc3c(c2)OCO3)C[C@H](O)CN1 214571880 LNMNPHKNUWNKLS-GXSJLCMTSA-N 250.298 0.574 10 10 CCCE Cc1ccc(C(=O)N2CCO[C@@H]([C@H](C)O)C2)c(O)c1O 1468940836 WPSOZJGJIPFAIW-GXSJLCMTSA-N 281.308 0.628 10 10 CCCE NCc1cc(F)c(N(CCCO)CCCO)c(F)c1 1922157200 TUYMLUXNIQAKNA-UHFFFAOYSA-N 274.311 0.995 10 10 CCCE Nc1ccc(OCCS(=O)(=O)Nc2cccnn2)cc1 227881307 VXDDDYWKUAKJBX-UHFFFAOYSA-N 294.336 0.880 10 10 CCCE COc1ccc(O)c([C@@H](C)NC(=O)c2nnn(C)n2)c1 1630366221 MGOMCBCHMJBFRF-SSDOTTSWSA-N 277.284 0.415 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@H]3[C@H](O)CC[C@H]3C2)cc1 228006407 CKZODAFOVBHPGU-IACUBPJLSA-N 296.392 0.801 10 10 CCCE NC(=O)NC1(C(=O)NCc2c(O)cccc2F)CC1 1652297888 AGLKUAWVJPBZOJ-UHFFFAOYSA-N 267.260 0.348 10 10 CCCE COc1cc(N2CCCNC(=O)CC2)ccc1CN 2139704728 PXALQERQNAZPNT-UHFFFAOYSA-N 263.341 0.870 10 10 CCCE COc1cc(N2CC[C@@H](NC(C)=O)C2)ccc1CO 2139704669 PCXOJTSYTJEMTJ-GFCCVEGCSA-N 264.325 0.902 10 10 CCCE Cc1cccc(CNC(=O)[C@H]2COC[C@H](C)N2)c1O 2139742782 FOIWOACGIRZVCO-CMPLNLGQSA-N 264.325 0.694 10 10 CCCE COC(=O)[C@]1(NCCN=[N+]=[N-])CCN(C)[C@@H](C)C1 156574132 LXYKSJCMGQQKRD-ONGXEEELSA-N 255.322 0.912 10 10 CCCE C[C@H]1CN(C)[C@@H](CO)CN1c1ccc2c(c1)OCO2 251724900 QBGNNUKJJNDXBI-CMPLNLGQSA-N 264.325 0.917 10 10 CCCE CN(C)C[C@@H]1COC[C@H]1NCc1ccc(O)cc1O 2141453621 QSXOCNAKEHKOFO-DGCLKSJQSA-N 266.341 0.764 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCc1ccoc1 126106430 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CC1(CNC(=O)c2cc(O)c(O)c(O)c2)OCCO1 1988124189 RZXFDCFMBGTMQG-UHFFFAOYSA-N 269.253 0.296 10 10 CCCE CN1CCC(NCc2ccc(O)cc2O)(C(N)=O)CC1 2154489380 SYHKEAQFOXSEPA-UHFFFAOYSA-N 279.340 0.137 10 10 CCCE CN(C)S(=O)(=O)CCNCc1ccc(F)cc1O 294010990 UHJOGGUWWCNRTP-UHFFFAOYSA-N 276.333 0.512 10 10 CCCE Oc1ccc(CCN[C@@H]2CNCCOC2)cc1O 2034724668 BVBABBPTEPACDE-LLVKDONJSA-N 252.314 0.218 10 10 CCCE COC[C@](O)(CO)CN[C@H](C)c1ccccc1O 2040784246 YZGXKQUWQLGBJY-ZWNOBZJWSA-N 255.314 0.413 10 10 CCCE NCc1ccc(N2CCC(O)(C(N)=O)CC2)c(Cl)c1 311619952 LQUPUUFXYHSWKB-UHFFFAOYSA-N 283.759 0.615 10 10 CCCE O=C(NC1COCCOC1)[C@H]1CNc2ccccc2N1 313529991 MUPCIMJLHNZLCK-CYBMUJFWSA-N 277.324 0.424 10 10 CCCE CNCc1ccc(N2C[C@H](O)[C@@H](CO)C2)c(Cl)c1 316280221 HTRSGUNPAWNXIU-MFKMUULPSA-N 270.760 0.849 10 10 CCCE NC(=O)[C@@H]1CCCN1c1ccc2c(c1)NC(=O)[C@@H]2N 701653780 CAVUVFWFIPVJJD-WDEREUQCSA-N 260.297 0.093 10 10 CCCE CC[C@H](NS(=O)(=O)Cc1ccc(N)cc1)C(=O)NC 697823311 HNVMCLUWIKFWOQ-NSHDSACASA-N 285.369 0.213 10 10 CCCE C[C@@H]1C[S@](=O)CCN1c1cc2c(cc1N)OCC(=O)N2 2171970514 YQAJDXDXNVWUPV-ZPWHCFADSA-N 295.364 0.557 10 10 CCCE CCNCc1ccc(N2C[C@H](O)C[C@H]2CO)c(F)c1 698177503 CDDTXQGQBLULRU-NWDGAFQWSA-N 268.332 0.867 10 10 CCCE C[C@@H]1C[S@](=O)CCN1C[C@@H](O)COc1ccc(N)cc1 2171966520 WBKRHPLHTFIWFY-JNHSQIPHSA-N 298.408 0.461 10 10 CCCE COc1ccc(CN[C@@H]2CS(=O)(=O)C[C@H]2C)c(O)c1 711654507 MMWJHPVDQPAPJB-BXKDBHETSA-N 285.365 0.924 10 10 CCCE COc1ccc(CN[C@H]2CS(=O)(=O)C[C@@H]2C)c(O)c1 711654508 MMWJHPVDQPAPJB-CABZTGNLSA-N 285.365 0.924 10 10 CCCE C[S@@](=O)C1(CNC(=O)Cc2ccc(N)cc2)CC1 380143781 PBBUFXSSVUQXDN-GOSISDBHSA-N 266.366 0.839 10 10 CCCE C[C@@H](c1c(O)cccc1O)N1CC(O)([C@@H](F)C(=O)O)C1 2172288923 GHXUWGMYNAFLPU-CPCISQLKSA-N 285.271 0.628 10 10 CCCE Cc1cc(CN)ccc1N1CCC(O)(C(N)=O)CC1 389187367 MWPMAMZLFKSTKE-UHFFFAOYSA-N 263.341 0.270 10 10 CCCE CNC(=O)CCN(C)c1ccc([C@H](C)N)c(O)c1 723188963 IQNGYPXNDURJQB-VIFPVBQESA-N 251.330 0.984 10 10 CCCE CN1CCc2cc([C@H](CN)N3CC(N(C)C)C3)ccc21 394425864 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CNCc1ccc(N2C[C@H](N(C)C)[C@H](O)C2)c(F)c1 2089921041 YICJISLTPXOAIH-UONOGXRCSA-N 267.348 0.656 10 10 CCCE CN(C)C(=O)OC1CN(Cc2cc(N)ccc2O)C1 2090308579 POWOUJNYDHPQFC-UHFFFAOYSA-N 265.313 0.857 10 10 CCCE O=C(N[C@@]12CCC[C@@H](CNC1)C2)c1cc(O)nc(O)c1 2203615436 KYNZAMMLYRGSOC-YMTOWFKASA-N 277.324 0.755 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1C[C@H]2NCC[C@@H]12 2205653092 ZLHDWTMZZPEQNL-SDDRHHMPSA-N 276.336 0.755 10 10 CCCE CC[C@H]1C[C@]1(NC(=O)c1cc(O)c(O)c(O)c1)C(=O)O 2206249117 IKSCCWPKWOIEKB-WPPNPWJKSA-N 281.264 0.787 10 10 CCCE COC(=O)c1cccc(N)c1N[C@@H]1CCC[C@H](O)[C@H]1O 2232501114 VRTDOJBEOXAYFP-MDZLAQPJSA-N 280.324 0.742 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3C[C@H](O)C[C@@H](F)C3)cc21 2234668571 GSLOVOWPAYFQNU-ZDSQKVDBSA-N 279.315 0.572 10 10 CCCE COc1cc(N2C[C@@H](O)C[C@H](O)C2)cc(OC)c1OC 2235136333 QDSRGWFZRHBGEM-QWRGUYRKSA-N 283.324 0.644 10 10 CCCE COc1ccc(N2C[C@H]3C[C@H](O)[C@@H](O)[C@H]2C3)c(CN)c1 2235964880 ARGDKMWXRLHPOP-FHOOGIDHSA-N 278.352 0.474 10 10 CCCE C[C@H](N)c1ccc(N2C[C@@H](CO)C[C@H](CO)C2)cc1O 2236636661 ONRJRRCJDRMRLW-SRVKXCTJSA-N 280.368 0.839 10 10 CCCE COc1ccc(N2CC[C@](O)(CO)[C@H](O)C2)cc1C 2226861705 SRKZJNUVFAFYNF-KGLIPLIRSA-N 267.325 0.298 10 10 CCCE COC[C@@](C)(CO)N(C)c1ccc(OC)cc1CN 2227671996 DKENWRCVBVQWOH-CQSZACIVSA-N 268.357 0.988 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NCCc1c[nH]nc1O 2240435168 XKJRPGXZQDDQOI-UHFFFAOYSA-N 277.280 0.428 10 10 CCCE Cn1cc(N)c(CNC(=O)c2cc(O)c(O)c(O)c2)n1 2240641641 CPQJBRHWLDARBX-UHFFFAOYSA-N 278.268 0.049 10 10 CCCE COC[C@@H]1[C@@H](O)[C@@H](O)CN1c1ccc([C@H](C)O)c(C)c1 2285148147 AGRZTGRKTGFQAP-OADPDTJPSA-N 281.352 0.605 10 10 CCCE NCc1cc(F)c(N2CC[C@@H]2[C@H](O)CO)cc1Cl 2258336845 ONGMFODVMUOZHX-ZYHUDNBSSA-N 274.723 0.870 10 10 CCCE CNC[C@H](C)S(=O)(=O)NCc1cnc(SC)s1 2248702531 SKUOREKWKUZBOV-ZETCQYMHSA-N 295.455 0.892 10 10 CCCE Cc1cc(O)cc(C)c1NS(=O)(=O)C[C@@H](N)C(=O)O 2270508206 KRJHWMIEDIUUFC-SECBINFHSA-N 288.325 0.163 10 10 CCCE COc1ccc(N2CCC[C@@H]3CNC(=O)[C@H]32)c(N)c1 2264553336 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Nc1ccc(OC[C@H](O)CN2C[C@@H]3C[C@@H](O)[C@H]2C3)cc1 2355626474 WVJYGJNSLKCICH-QMGNLALYSA-N 278.352 0.464 10 10 CCCE COc1ccc(O)c(CN(C[C@H](C)O)[C@@H](C)CO)c1 191214703 JCUZDDOIUXQEKG-QWRGUYRKSA-N 269.341 0.964 10 10 CCCE CC(C)CN(CC(N)=O)c1cc2c(cc1N)OCC(=O)N2 42691433 BYRYDYYCPRIMPN-UHFFFAOYSA-N 292.339 0.547 10 10 CCCE CC(=O)C(=O)COC(=O)c1ccc2c(c1)CCN2C 808538925 LEZNJXISLQHODZ-UHFFFAOYSA-N 261.277 0.994 10 10 CCCE CC[C@@H](C(=O)OCC(=O)C(C)=O)N1CCCC1=O 808523484 GMDNZGNVEQQPNO-VIFPVBQESA-N 255.270 0.089 10 10 CCCE CSc1ncc(CNC(=O)C2(N)COC2)s1 2243773001 IIJFIHDVWHHLCV-UHFFFAOYSA-N 259.356 0.209 10 10 CCCE CN[C@@H](C)c1ccc(N2CC[C@H](NC(N)=O)C2)cc1O 723173381 ILTDSDMJTKITEB-UWVGGRQHSA-N 278.356 0.920 10 10 CCCE C[C@@H](NC[C@@H](O)CS(C)(=O)=O)c1ccc(F)cc1O 927026063 POHTUDMUXYLJAV-PSASIEDQSA-N 291.344 0.587 10 10 CCCE COC(=O)c1ccc(O)c([C@H](C)N[C@H]2CCNC2=O)c1 850483354 YEYDVNIRUIAEOI-KWQFWETISA-N 278.308 0.718 10 10 CCCE O=C(NC[C@@]1(OCCO)CCOC1)c1cc(O)cs1 855407106 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CCN(CC)c1ccc([C@@H](N)[C@H](O)C(=O)O)cc1 1952113137 YZYIOEPUJQMFNT-NEPJUHHUSA-N 252.314 0.978 10 10 CCCE CC(=O)C(=O)[C@@H](O)[C@H]1COCCN1C(=O)OC(C)(C)C 1954092525 FVJQMLDZMQPZFV-KOLCDFICSA-N 287.312 0.141 10 10 CCCE CCN(C(=O)c1ccc(O)c(O)c1)[C@H]1CCS(=O)(=O)C1 243293696 LETHQCIYYWFJFG-JTQLQIEISA-N 299.348 0.747 10 10 CCCE O=C(CCN1CCNCC1)c1ccc(O)c(O)c1O 71452016 OXVJHFUUODAMTJ-UHFFFAOYSA-N 266.297 0.281 10 10 CCCE CCOC(=O)c1cnn2c(O)c(CCC(=O)O)c(C)nc12 71475409 AOHBGWBDFQSHMP-UHFFFAOYSA-N 293.279 0.937 10 10 CCCE CCOc1cc(N2CCOCC2)ccc1[C@@H](N)CO 72199415 BOEXITBVSBYSFM-ZDUSSCGKSA-N 266.341 0.914 10 10 CCCE COc1ccc(N2CC(=O)NC(=O)[C@H]2C)cc1OC 74414985 XFYTWTNCEOUIGH-MRVPVSSYSA-N 264.281 0.555 10 10 CCCE COC(=O)NC(=O)CN1CCCc2cc(CN)ccc21 700795673 WGRMVWHDUGRCGJ-UHFFFAOYSA-N 277.324 0.781 10 10 CCCE O=C(NC[C@H]1C[C@@H]1C(=O)O)c1ccc(O)c(O)c1 715299501 ZECSHAKNVMAOMR-SFYZADRCSA-N 251.238 0.548 10 10 CCCE CC[C@@H](C(=O)OC)N(CC(N)=O)Cc1ccc(N)cc1 695047093 DISUMWMCSRRGBG-LBPRGKRZSA-N 279.340 0.508 10 10 CCCE CCN1CCO[C@@H](C(=O)NCc2cc(O)ccc2O)C1 1153884253 AGRYJJOGKBEXQF-CYBMUJFWSA-N 280.324 0.435 10 10 CCCE O=C(c1cccc(O)c1O)N1CC(F)(F)C[C@H]1CO 781329524 DHBKORPAMQGGBE-ZETCQYMHSA-N 273.235 0.940 10 10 CCCE Nc1ccc(NC(=O)CN2CC=CC[C@H]2CO)cc1 2119807144 LWCPHXPHHLIVRJ-ZDUSSCGKSA-N 261.325 0.830 10 10 CCCE NCc1ccc(N2C[C@H]3NC(=O)O[C@@H]3C2)c(F)c1F 2120410228 NAGDANTYGJWFDT-VXNVDRBHSA-N 269.251 0.721 10 10 CCCE O=C1Nc2cc(N3C[C@H](F)[C@@H](CO)C3)ccc2[C@H]1O 2120608782 JFEPUQKOPXWTJF-INNHCVQGSA-N 266.272 0.439 10 10 CCCE CN(c1cc2c(cc1F)[C@H](O)C(=O)N2)[C@H]1C[C@H](O)C1 2122887194 CUJMBTQPSDFTGR-WSFZALMZSA-N 266.272 0.771 10 10 CCCE NC(=O)[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)c(O)c1 2117476231 UNKVDYRAGROJQP-RKDXNWHRSA-N 264.281 0.482 10 10 CCCE C[C@H](NCCc1nnnn1C)c1c(O)cccc1O 2119295947 OXKNHCZZAQRPOU-QMMMGPOBSA-N 263.301 0.515 10 10 CCCE COc1ccc(N2C[C@H](O)[C@@H](O)CC2(C)C)c(N)c1 2132139117 XZUUTNBRAVOXIO-STQMWFEESA-N 266.341 0.988 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CC(N2CCC2)C1 2132405960 DGNAOLGRIZFEOK-UHFFFAOYSA-N 264.281 0.334 10 10 CCCE C[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)[C@@H](C(N)=O)C1 1448077827 JGOVEOPKSWUIDW-MWLCHTKSSA-N 292.335 0.753 10 10 CCCE COc1ccc(CN2C[C@H](O)C[C@@H]2C(=O)O)c(O)c1 2136093566 OPZYSTCBYJGZLO-MWLCHTKSSA-N 267.281 0.421 10 10 CCCE O=C(N[C@@H]1CCC[C@H]1CO)c1ccc(O)c(O)c1 227039558 UCEPJFWRBWPPLX-VHSXEESVSA-N 251.282 0.989 10 10 CCCE C[C@H](N)c1ccc2c(c1)CCN2CC(=O)N1CCOCC1 162124608 YJROOVJXUADVQH-LBPRGKRZSA-N 289.379 0.928 10 10 CCCE COC(=O)CS(=O)(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-] 2213589944 ITMOGIBXBNHGRQ-RNFRBKRXSA-N 262.291 0.310 10 10 CCCE O=C(O)[C@@H](F)C1(O)CN(Cc2ccccc2O)C1 1875538414 KPRHGKXZKCUDED-SNVBAGLBSA-N 255.245 0.362 10 10 CCCE Nc1ccc(OCC(=O)N2C[C@H]3COCC[C@H]32)cc1 1878798124 HGYLADPFYACHFW-GXFFZTMASA-N 262.309 0.895 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H]1CCCSC1 136405751 GFJUBTNYXYJZEI-QWRGUYRKSA-N 296.392 0.979 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@@H]2CCN[C@@H]2C1 2144024559 MSVCUUVXYOAYBD-NWDGAFQWSA-N 276.336 0.851 10 10 CCCE C[C@@H]1CC[C@@H](NC(=O)Cc2ccc(O)c(O)c2)CN1 1972223641 SWVRXJVFSPMHPZ-MWLCHTKSSA-N 264.325 0.897 10 10 CCCE CCS(=O)(=O)C[C@@](C)(NCCN=[N+]=[N-])C(=O)O 2003975806 WQFLNMIDJVITPC-MRVPVSSYSA-N 264.307 0.164 10 10 CCCE CN(C)[S@@](C)(=O)=NC(=O)c1ccc(O)c(O)c1 2002252956 GDKJMMNPJUCUST-KRWDZBQOSA-N 258.299 0.812 10 10 CCCE COc1ccc(N2CCOCC2)cc1[C@H](N)CO 258754300 VRBBJHRKNSAPSM-GFCCVEGCSA-N 252.314 0.524 10 10 CCCE CCOC(=O)[C@]1(c2ccc(O)c(O)c2)[C@H]2CNC[C@H]21 259788502 MVQPDEASWTWOFJ-MSRIBSCDSA-N 263.293 0.748 10 10 CCCE O=[N+]([O-])c1ccc(N2C[C@@H]3OCCO[C@@H]3C2)cc1CO 2149762791 UIKXHKSPVRRXHJ-BETUJISGSA-N 280.280 0.691 10 10 CCCE Nc1ccc(OCC(=O)N2C[C@H](O)[C@H](C3CC3)C2)cc1 2146833143 MSRNYVQNWSVMSE-KBPBESRZSA-N 276.336 0.877 10 10 CCCE CCC(=O)NCCCNC(=O)COc1ccc(N)cc1 2158718654 PIDSOTZCZVJMCZ-UHFFFAOYSA-N 279.340 0.680 10 10 CCCE C[S@@](=O)(=Nc1ccc(N)cc1)N1CCNCC1 2016910026 NOLCXTWFQYVKNX-QGZVFWFLSA-N 254.359 0.818 10 10 CCCE CC(=O)C(=O)CSc1nnnn1Cc1ccccc1 288292864 BNAAWWYURPXVMJ-UHFFFAOYSA-N 276.321 0.972 10 10 CCCE C[C@H](N[C@H]1CN(C)C[C@H]1O)c1cc(O)ccc1O 2029868673 ZMSCOGVGGLDKGS-LJUAHTATSA-N 252.314 0.423 10 10 CCCE CS(=O)(=O)N1CC[C@@H](Nc2ccc(N)cc2)C1 400239246 WHKRGLONLVPDPM-LLVKDONJSA-N 255.343 0.715 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@@H](N)c1ccnn1C 402922721 ZFSSMBBGTYRELG-ZDUSSCGKSA-N 274.324 0.784 10 10 CCCE C[C@H]1[C@@H](NC(=O)Nc2ccc(N)cc2)CCS1(=O)=O 312088133 OLWHGGGOWNYKHG-KWQFWETISA-N 283.353 0.966 10 10 CCCE COc1cc2c(cc1OC)N([C@@H]1CN(C)C[C@@H]1O)CC2 2156944575 XBKOKEDTLKAPJR-OLZOCXBDSA-N 278.352 0.741 10 10 CCCE COCCNCc1ccc(N(C)CCOCCO)cc1 312749300 KPBHRHYDSYNIQT-UHFFFAOYSA-N 282.384 0.868 10 10 CCCE [N-]=[N+]=NCCNC(=O)c1ccc(-n2cnnn2)cc1 701286188 HYFBJOBTAHCSFO-UHFFFAOYSA-N 258.245 0.702 10 10 CCCE C[C@H](N)c1ccc(N2CCN(CCCO)CC2)cc1O 2169931523 DWYMNIXHPUGNFJ-LBPRGKRZSA-N 279.384 0.916 10 10 CCCE CS(=O)(=O)N[C@@H]1CCN(CCc2ccc(N)cc2)C1 702984339 LHVPLMDIMHPUIJ-CYBMUJFWSA-N 283.397 0.435 10 10 CCCE Nc1ccc(CCC(=O)N2CCn3ncnc3C2)cc1 2170409846 KICMBAZPHTUFOS-UHFFFAOYSA-N 271.324 0.835 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3CC[C@H]4C[C@@]4(O)C3)cc21 2171024363 FYTBZPDLJGFHOI-JBCWJZNQSA-N 273.336 0.624 10 10 CCCE CN(CCC(N)=O)c1cc2c(cc1N)NC(=O)CC2 381977051 XBEMAKFVJWLIQH-UHFFFAOYSA-N 262.313 0.465 10 10 CCCE COC[C@H](C)S(=O)(=O)Nc1ccc(O)c(C(=O)O)c1 399671650 DVIYTUQUTLSKAE-ZETCQYMHSA-N 289.309 0.867 10 10 CCCE CO[C@H]1CS(=O)(=O)C[C@H]1Nc1c(C)cccc1N 829264128 OSEBUDCRLRTPGW-MNOVXSKESA-N 270.354 0.801 10 10 CCCE Nc1ccc(CCC(=O)N2CCO[C@H](CCO)C2)cc1 2172865954 CXVBSTFTEGBBPC-CQSZACIVSA-N 278.352 0.811 10 10 CCCE N[C@H]1C[C@@H]2CN(Cc3c(O)cccc3F)CCN2C1=O 2173419525 BZOWTYFWUYVTMM-SKDRFNHKSA-N 279.315 0.275 10 10 CCCE CN(C[C@H]1[C@@H]2COC[C@@H]21)C(=O)COc1ccc(N)cc1 2174699970 WPRPNFNHNMNOON-ZSOGYDGISA-N 276.336 0.998 10 10 CCCE Nc1ccc(CS(=O)(=O)NCC2(N)CCOCC2)cc1 2191642478 MOECRZLBKHVGJO-UHFFFAOYSA-N 299.396 0.196 10 10 CCCE Nc1ccc(OCCS(=O)(=O)N2C[C@@H]3C[C@@]3(N)C2)cc1 2191781581 ORGKGACFVQZVCV-GXFFZTMASA-N 297.380 0.010 10 10 CCCE CNC[C@H](O)CN(C)c1cc2c(cc1N)NC(=O)CC2 2191894585 VCKQGIJIBJVLKM-JTQLQIEISA-N 278.356 0.170 10 10 CCCE C[C@H](NC(=O)C1[C@@H]2CS(=O)(=O)C[C@@H]12)c1ccccc1O 2192618751 ZHCUQZAVYKCSNV-JMJZKYOTSA-N 295.360 0.860 10 10 CCCE Nc1cc2c(cc1N1C[C@@H]3[C@H](CO)[C@@H]3C1)CCC(=O)N2 2182050012 AIPKBODVXBBRAI-JGPRNRPPSA-N 273.336 0.828 10 10 CCCE CC1(C)C[C@H](O)[C@H](O)CN1C(=O)c1cccc(O)c1O 2188682415 YKLMACFYXPSOIX-WDEREUQCSA-N 281.308 0.444 10 10 CCCE N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)c(O)c(O)c1 2188923459 LEODZFINVINJOJ-ILWJIGKKSA-N 278.308 0.898 10 10 CCCE C[C@@H](O)CN(Cc1cc(N)ccc1O)C[C@@H](C)O 2041728815 LUEDGDBNKYUEQX-NXEZZACHSA-N 254.330 0.538 10 10 CCCE COC(=O)[C@H](NCCCO)c1c(C)cccc1O 2042606820 DEGHAVJFOGRZSE-GFCCVEGCSA-N 253.298 0.887 10 10 CCCE N[C@H]1CCc2cc(N3C[C@H]4C(=O)NC(=O)[C@@H]4C3)ccc21 2184738128 PUUPVUWBRUTYJZ-UPJWGTAASA-N 271.320 0.341 10 10 CCCE [N-]=[N+]=NCCCN1CC(N2CCN(C=O)CC2)C1 2054258755 SVUPDQPWBDCGJK-UHFFFAOYSA-N 252.322 0.145 10 10 CCCE O=C(N[C@@H]1C[C@H]1C(=O)O)c1cc(O)c(O)c(O)c1 2068568309 WHXLUEWWNOHWKN-PHDIDXHHSA-N 253.210 0.006 10 10 CCCE Oc1ccc(CN[C@@H]2CO[C@H]3COC[C@@H]23)c(O)c1O 2101876454 GHQOWOXBRUXLNH-NGZCFLSTSA-N 267.281 0.307 10 10 CCCE Cc1ccc(CN2CCC(O)(CN)CC2)c(O)c1 2084075713 QUDWSJAOKNGOLA-UHFFFAOYSA-N 250.342 0.986 10 10 CCCE NCc1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CF)c(Cl)c1 2084798628 PFXFDIXJBHXIOW-WOPDTQHZSA-N 274.723 0.679 10 10 CCCE C[C@H](CNC(=O)c1cccc(O)c1O)[C@@H](F)C(=O)O 2105540109 KHGZUMHSWVTAEL-HZGVNTEJSA-N 271.244 0.886 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CC[C@@H](CO)C1 2090016081 ZLFWFNFHOICGJF-GHMZBOCLSA-N 265.309 0.918 10 10 CCCE CN(C)c1ccc([C@@H](O)C(=O)c2cn(C)nn2)cc1 2090854041 IDDSNMVFHHMFIO-GFCCVEGCSA-N 260.297 0.797 10 10 CCCE Cc1ccc(O)c(CN2CCO[C@@H]3[C@@H](C(=O)O)[C@@H]32)c1 2092841193 ALCLFAFUFJRGTH-RWMBFGLXSA-N 263.293 0.984 10 10 CCCE COc1ccc([C@@H](C)N[C@H]2CC(=O)NC2=O)c(O)c1 2096085140 ZWAFWKIAWSMFNE-XCBNKYQSSA-N 264.281 0.467 10 10 CCCE NC[C@@H]1COCCN(C(=O)c2ccc(O)c(O)c2)C1 2098206791 FHOULCOJQMDZBJ-VIFPVBQESA-N 266.297 0.145 10 10 CCCE C[C@@H]([C@@H](C)NC(=O)c1ccc(O)c(O)c1)S(C)(=O)=O 2114223964 MCOCMRRVZXXZMF-SFYZADRCSA-N 287.337 0.649 10 10 CCCE COc1cc(N2CCN3C(=O)OC[C@H]3C2)ccc1CN 2204556909 JPNVVOLDORXWQO-GFCCVEGCSA-N 277.324 0.795 10 10 CCCE Cc1ccc(CN2CC[C@@](O)(C(=O)O)[C@@H](O)C2)c(O)c1 2204630031 RFUUDGMOCWYQAY-JSGCOSHPSA-N 281.308 0.083 10 10 CCCE CS[C@H]1CNC[C@@H]1NC(=O)CCOc1ccc(N)cc1 2205589482 LMWVEUCXINCYQG-STQMWFEESA-N 295.408 0.857 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@@H]3C[C@H](C2)[C@@H]3O)cc1 2270704516 ZRMBVGCTIYPORY-PJXYFTJBSA-N 282.365 0.411 10 10 CCCE Cn1cnc(S(=O)(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])c1 2218741825 OQCHCZCLAPLSGA-SFYZADRCSA-N 270.318 0.930 10 10 CCCE CN(CCN=[N+]=[N-])C(=O)[C@@H]1[C@H](C(=O)O)[C@H]2C=C[C@H]1O2 2225791328 CNSQPFIYWYBOSH-LURQLKTLSA-N 266.257 0.409 10 10 CCCE O=C1NCCCC[C@H]1Cn1ccc2c(c1=O)CNCC2 2236658124 DJJXBXJLGJCPEI-LBPRGKRZSA-N 275.352 0.410 10 10 CCCE OC[C@@H]1C[C@@H](CO)CN(c2ccc3c(c2)OCCO3)C1 2236626836 DNRQYYSZCSBXFN-VXGBXAGGSA-N 279.336 0.885 10 10 CCCE C[C@H](N)c1ccc(N2CCN3C(=O)COC[C@H]3C2)cc1 2236941646 NEHSAFXLZIKPSH-SMDDNHRTSA-N 275.352 0.754 10 10 CCCE COc1ccc(N2C[C@H](N)C[C@@H](O)C2)c(OC)c1C 2278034883 RRQMBVHTRLDCEL-GHMZBOCLSA-N 266.341 0.911 10 10 CCCE CC1(C)NC(=O)O[C@H]1Cn1ccc2c(c1=O)CNCC2 2239285247 IDNAWCLUFHANSN-NSHDSACASA-N 277.324 0.381 10 10 CCCE COCCNCC(=O)NCc1cnc(SC)s1 2248649243 CJRQFHOIBRUENQ-UHFFFAOYSA-N 275.399 0.717 10 10 CCCE CSc1ncc(CNC(=O)[C@H]2OCC[C@@H]2N)s1 2248608694 IZYGXRGTIWGJTC-YUMQZZPRSA-N 273.383 0.597 10 10 CCCE O=[N+]([O-])c1cc(CO)ccc1N1CC[C@@H]1[C@@H](O)CO 2270701648 QOHMPRRBWZXVEO-PWSUYJOCSA-N 268.269 0.019 10 10 CCCE Nc1ccc(CC(=O)N[C@H]2CCNCC2(F)F)cc1 2264442568 OWDJQXPVFFABEM-NSHDSACASA-N 269.295 0.925 10 10 CCCE COc1cccc(CN2CC[C@H]3C(=O)NC[C@H]3C2)c1O 365666198 YSJCNUUWFMUTIS-NWDGAFQWSA-N 276.336 0.969 10 10 CCCE CN(Cc1ncccn1)C(=O)c1cc(O)c(O)c(O)c1 1148581684 RLDUYMBHKKDVTO-UHFFFAOYSA-N 275.264 0.866 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)[C@@]23C[C@H]4CC[C@H](N4)[C@@H]2C3)C1 2330093890 ZOVKKZBDDHODSL-ULMDSJEQSA-N 262.353 0.783 10 10 CCCE [N-]=[N+]=N[C@H]1CCC[C@H]1NS(=O)(=O)N1CCC[C@H](O)C1 2333612221 JGMIIUZHWQZDMW-LPEHRKFASA-N 289.361 0.509 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)[C@H]2C[C@@H]3CC[C@H]2CNC3)C1 2333632516 VGFJKLWTCHGAGS-VLJOUNFMSA-N 264.369 0.888 10 10 CCCE CN1C(=O)[C@@H](O)c2ccc(N3C[C@@H]4C[C@H](O)[C@H]3C4)cc21 2355624575 SMIMDGQFVDFAPU-ISTUKMMPSA-N 274.320 0.656 10 10 CCCE Nc1ccc(OCCC(=O)NC[C@H]2NC[C@@H]3C[C@H]23)cc1 2357564358 GEGRXHJLRALKDE-LEWSCRJBSA-N 275.352 0.762 10 10 CCCE CN1CC[C@H](CNC(=O)[C@@H](N)Cc2ccc(O)c(O)c2)C1 40464034 URFNZCUSZHKDGA-NEPJUHHUSA-N 293.367 0.036 10 10 CCCE N[C@@H](CCO)c1nc(-c2ccc(O)c(O)c2)no1 236287814 UROQNFPROZZPNE-ZETCQYMHSA-N 251.242 0.530 10 10 CCCE O=C1N[C@@]2(C(=O)NCc3ccccc3O)C[C@H]3C[C@H]1[C@H]2C3 845833168 IJOMIMKUCBPRJM-AEPCNGEQSA-N 286.331 0.923 10 10 CCCE C[C@H](NCc1cccc(Br)c1O)[C@H](O)CO 698981037 YGPZHPODWARLDG-OIBJUYFYSA-N 290.157 0.986 10 10 CCCE C[C@@]1(CO)C[C@H](O)CN1c1ccc(CN)c(F)c1 698194767 ASLFZKCYYGGAPZ-AAEUAGOBSA-N 254.305 0.606 10 10 CCCE COc1cccc(O)c1CN1CC(O)(c2ncnn2C)C1 895620330 CEBJXKPGDZEGJQ-UHFFFAOYSA-N 290.323 0.233 10 10 CCCE COC(=O)[C@@]1(O)CCN(Cc2ccccc2O)C1 895706187 DZGOHRPZUIBVFA-CYBMUJFWSA-N 251.282 0.502 10 10 CCCE COc1ccc(N2CC(=O)N([C@H](C)C(=O)O)C(=O)C2)cc1 74415973 SEIGATZYGUGDGW-SECBINFHSA-N 292.291 0.344 10 10 CCCE C[C@@H](NCc1ccc(N2CCNCC2)cc1)C(=O)O 84846333 QFPLNEIAJINGFD-LLVKDONJSA-N 263.341 0.659 10 10 CCCE CC[C@H](N)c1ccc(N2CC(O)(C(=O)OC)C2)cc1 714420021 IPBKLLDPSATACE-LBPRGKRZSA-N 264.325 0.821 10 10 CCCE Nc1ccc(NC(=O)CCN2C[C@@H](O)C[C@H]2CO)cc1 698117712 VPGCWVNKCKAULU-STQMWFEESA-N 279.340 0.025 10 10 CCCE NCc1cc(F)c(N2CCOC[C@H]2C(N)=O)cc1Cl 2120882026 SATRRTWDQMQJMB-NSHDSACASA-N 287.722 0.628 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3CCO[C@H]4C[C@@H]43)cc21 2115155842 LYTQYGYMRSEKMD-RWMBFGLXSA-N 259.309 0.640 10 10 CCCE OCc1ccc(N2CC(O)(CO)C2)cc1C(F)(F)F 2115309995 OYWSLYWJLXEWCB-UHFFFAOYSA-N 277.242 0.741 10 10 CCCE [N-]=[N+]=N[C@H]1CCC[C@H]1NS(=O)(=O)c1nc[nH]n1 2213582160 FITJSYAAZTYLSS-NTSWFWBYSA-N 257.279 0.314 10 10 CCCE CN[C@@H]1CC[C@H]1CNC(=O)c1cc(O)c(O)c(O)c1 2132405798 BSLSUELRLOTLAP-IONNQARKSA-N 266.297 0.531 10 10 CCCE Cc1[nH][nH]c(=NC(=O)c2cc(O)c(O)c(O)c2)c1N 2132411672 XEHSWZHKGRFOJS-UHFFFAOYSA-N 264.241 0.091 10 10 CCCE O=[N+]([O-])c1cc(N2CCOC[C@H](O)C2)ccc1CO 2132053887 NINHAMYKFOXDNW-LLVKDONJSA-N 268.269 0.285 10 10 CCCE Cn1cc(S(=O)(=O)NCCCCN=[N+]=[N-])nn1 1912199947 ZQNQZGNGPUUTGB-UHFFFAOYSA-N 259.295 0.184 10 10 CCCE COc1cc(N)c(N(C)CC(=O)N(C)C)cc1OC 213443011 OAAWSEJJLIDOCN-UHFFFAOYSA-N 267.329 0.810 10 10 CCCE Cc1cc(CN)ccc1N1[C@H]2CC[C@H]1[C@H](O)[C@@H](O)C2 2133918937 HOEAKTCQWCKCSN-MXAVVETBSA-N 262.353 0.917 10 10 CCCE CS(=O)(=O)N1CC[C@H](N2CCC(N=[N+]=[N-])CC2)C1 1912194101 SKEHZVRMLVBECV-JTQLQIEISA-N 273.362 0.795 10 10 CCCE NC(=O)C1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1440473619 YPIYVTSEABOHJU-UHFFFAOYSA-N 278.308 0.364 10 10 CCCE Nc1ccc(OCC(=O)N2CC3(CCOC3)C2)cc1 1915354614 RPDRSVOMRCPFJS-UHFFFAOYSA-N 262.309 0.897 10 10 CCCE C[C@H](N)c1ccc(N2CC[C@@H](O)C[C@@H]2CO)cc1O 2136087366 DFFCFGYKKBBCNB-MVWJERBFSA-N 266.341 0.734 10 10 CCCE CN[C@H]1CN(C(C)=O)C[C@H]1c1ccc(O)c(O)c1 1614804764 CBGMSCJJAPSCSU-QWRGUYRKSA-N 250.298 0.632 10 10 CCCE CCCc1c(C(=O)[C@H]2CCC(=O)C2=O)nnn1CC 1923547699 CDWRKHHCUYODBF-QMMMGPOBSA-N 263.297 0.981 10 10 CCCE O=C(NCc1c(O)cccc1O)c1nc2ncccn2n1 1597574690 QGMTUMLEXRJHPH-UHFFFAOYSA-N 285.263 0.466 10 10 CCCE CS(=O)(=O)N[C@H]1CCN(Cc2ccc(F)cc2O)C1 2139790457 NWDMUUAEXQGJPH-NSHDSACASA-N 288.344 0.655 10 10 CCCE CNCc1ccc(N2CCOC[C@@H]2CO)cc1C 168326018 UHZPQTWYXAQLKE-AWEZNQCLSA-N 250.342 0.912 10 10 CCCE Nc1ccc(NC(=O)CN2C(=O)CCNC2=O)cc1 2141532208 ANHZSTXONJFYSO-UHFFFAOYSA-N 262.269 0.149 10 10 CCCE Cn1ncnc1NC(=O)CCOc1ccc(N)cc1 126995401 FLQAVNHUIJUTFF-UHFFFAOYSA-N 261.285 0.805 10 10 CCCE C[C@@H](N)c1ccc(N(C)C2CS(=O)(=O)C2)cc1 1946851804 MLHZTDWISUWPCM-SECBINFHSA-N 254.355 0.940 10 10 CCCE O=C(N[C@H]1CCCCC[C@H]1O)c1cc(O)nc(O)c1 135924864 FLZITAGASOLBNX-VHSXEESVSA-N 266.297 0.916 10 10 CCCE CON(C)C1CN(c2cc3c(cc2Cl)[C@@H](N)C(=O)N3)C1 2144643944 MQVVPNUZPYJINW-GFCCVEGCSA-N 296.758 0.974 10 10 CCCE CNC(=O)CN1CCN(Cc2ccc(F)cc2O)CC1 1968442966 CLOWGEMKCGZDFZ-UHFFFAOYSA-N 281.331 0.395 10 10 CCCE Oc1cccc(F)c1CN[C@@H]1C[C@H]2C[C@H]1[C@H](O)[C@@H]2O 1974159461 YMNKJMKVJGDACJ-IMWABMGISA-N 267.300 0.751 10 10 CCCE C[C@H](N)c1ccc(N2C[C@]3(CO)C[C@@]3(CO)C2)cc1O 2146305605 HSUMRQHHIIIKAP-LKTVYLICSA-N 278.352 0.593 10 10 CCCE OCc1ccc(N2CC[C@H](O)[C@H](O)C2)cc1Cl 2014981832 WFKBBIKYRFMJJH-NWDGAFQWSA-N 257.717 0.764 10 10 CCCE COC(=O)CCS(=O)(=O)N(C)Cc1ccc(N)cc1 49063098 VYGWEPGDSHSQBS-UHFFFAOYSA-N 286.353 0.594 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC[C@@H](N)C2)cc1 2016896613 PBPIXVNZEUNXEA-LLVKDONJSA-N 255.343 0.132 10 10 CCCE C[C@@H](N)CS(=O)(=O)N[C@H](C)c1ccccc1O 2017525881 WGDZLTJAUFNYTK-RKDXNWHRSA-N 258.343 0.720 10 10 CCCE CN1CCN(C)[C@H](C(=O)N2CCC(CN=[N+]=[N-])CC2)C1 2155740366 KXGSBIRNFISMMH-LBPRGKRZSA-N 280.376 0.781 10 10 CCCE CO[C@H](CCN)C(=O)N(C)Cc1ccccc1O 401316138 YYRBDTJDELSEHZ-GFCCVEGCSA-N 252.314 0.714 10 10 CCCE CN(C)c1ccc([C@H](O)c2nnc3n2CCOC3)cc1 701561327 YZNKXHXHLSRNCI-ZDUSSCGKSA-N 274.324 0.956 10 10 CCCE C[C@H]1OCCN2C(=O)N(c3ccc(N)cc3)C(=O)[C@@H]12 328153654 SZTNKIFRVILEAB-LDYMZIIASA-N 261.281 0.825 10 10 CCCE NCc1ccc(N2CCN3C(=O)NC(=O)[C@H]3C2)c(F)c1 2171304231 CXQPYBMZIMQMQB-LLVKDONJSA-N 278.287 0.025 10 10 CCCE CN(CCN(C)S(C)(=O)=O)Cc1ccc(N)cc1 706593551 ARTUMKOSQXBPAJ-UHFFFAOYSA-N 271.386 0.592 10 10 CCCE C[C@H](NCc1nnc(O)n1C)c1cc(O)ccc1O 709358589 XRJLROLQXTZPPN-ZETCQYMHSA-N 264.285 0.783 10 10 CCCE CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](O)C(C)(C)N 2176968357 AKOQIIIQBNEJAT-CYBMUJFWSA-N 279.384 0.809 10 10 CCCE O=C(N[C@@]1(C(=O)O)CCCNC1)c1ccc(O)c(O)c1 711778899 DFHGEMQDZORRAC-ZDUSSCGKSA-N 280.280 0.034 10 10 CCCE O=C(N[C@H](CC(F)(F)F)C(=O)O)c1cc(O)nc(O)c1 380053779 CYEPETDBKLGYBE-RXMQYKEDSA-N 294.185 0.628 10 10 CCCE CNC(=O)CN(CC(=O)NC)Cc1c(O)cccc1Cl 720536370 UVWYAFKOMCNVTC-UHFFFAOYSA-N 299.758 0.340 10 10 CCCE COCCOCCN(C)CC(=O)c1ccc(O)c(O)c1 383733439 BXQLFKNTRVOZAC-UHFFFAOYSA-N 283.324 0.875 10 10 CCCE COc1ccc(O)c([C@H](C)N[C@@H]2CONC2=O)c1 393740988 BTODNBSPJROSSD-OIBJUYFYSA-N 252.270 0.481 10 10 CCCE NCc1ccc(N2C[C@H]3C[C@@H](O)[C@H](O)[C@H]2C3)c(F)c1F 2173317040 ILNNMFYYDJFZBZ-FRJWGUMJSA-N 284.306 0.744 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@@H]3C[C@@H](CO)[C@@H]3C2)cc1 2174306115 DBJIZBFMNRRGEU-SGMGOOAPSA-N 296.392 0.659 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CC(=O)N[C@@H]4CC[C@@H]43)ccc21 2168350816 KEZBIEXQCWDXPA-CDMKHQONSA-N 272.308 0.106 10 10 CCCE CN(Cc1ncn(C)n1)c1ccc([N+](=O)[O-])c(CO)c1 2178352559 LRKGOUHNIUZMEC-UHFFFAOYSA-N 277.284 0.852 10 10 CCCE CNS(=O)(=O)CCCN1CCCc2cc(CN)ccc21 2169656411 KGJJAGVQBJOZFM-UHFFFAOYSA-N 297.424 0.837 10 10 CCCE C[C@H](O)CN1CCN(c2ccc(CN)c(F)c2F)CC1 2170220877 KXVIFCYOSYXDEK-JTQLQIEISA-N 285.338 0.926 10 10 CCCE COC(=O)C1(CN(C)Cc2ccccc2O)CN(C)C1 2192594109 NKHNODUNMYUTKK-UHFFFAOYSA-N 278.352 0.929 10 10 CCCE O=C(NC1C[C@@H]2CC[C@H](C1)N2)c1cc(O)c(O)c(O)c1 2188912126 HWUIRDKSPORPID-ULKQDVFKSA-N 278.308 0.816 10 10 CCCE COc1cccc(O)c1CN[C@@H]1CCOC[C@H]1O 2042572633 XWBMMIRPOUCHND-ZYHUDNBSSA-N 253.298 0.640 10 10 CCCE Nc1ccc(CCCN2C[C@@H](O)C[C@H](O)C2)cc1 2043185100 ROHPMKVYMNMFIS-KBPBESRZSA-N 250.342 0.629 10 10 CCCE CN[C@@H](C)[C@@H]1CCN1C(=O)c1cc(O)nc(O)c1 2045171140 RATVBBXFCFHNSP-CBAPKCEASA-N 251.286 0.315 10 10 CCCE C[C@]1(O)CCN(CC(=O)c2ccc(O)c(O)c2)C[C@H]1O 2197964607 FIWMGDLIEDPRID-KGLIPLIRSA-N 281.308 0.098 10 10 CCCE CNC(=O)NC(=O)[C@H](C)N1CCC[C@H]1CN=[N+]=[N-] 2059054228 URYRZZKLAVJEHA-YUMQZZPRSA-N 254.294 0.605 10 10 CCCE C[C@H](N)c1n[nH]c(NC(=O)C2=S=Nc3ccccc32)n1 2186671327 WTZASSOQPVFZTA-LURJTMIESA-N 288.336 0.895 10 10 CCCE CNCCOCCN(C)c1cc(OC)c(OC)cc1N 2191610283 AIDGWNUNOGFWNU-UHFFFAOYSA-N 283.372 0.958 10 10 CCCE COc1cc(N)c(N(C)[C@@]2(CN)CCOC2)cc1OC 2191617498 ZSKMKYJDFYNDNT-CQSZACIVSA-N 281.356 0.840 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC[C@@H]3CCN[C@@H]3C2)cc1 2191775429 CDCJZTQIFKDOSK-GXTWGEPZSA-N 295.408 0.782 10 10 CCCE Nc1ccc(OCC(=O)N[C@@]23CCC[C@H]2CNC3)cc1 2191752928 YHPYOCGTODXNRS-XHDPSFHLSA-N 275.352 0.906 10 10 CCCE Oc1ccc(CN[C@H]2COCC2(F)F)c(O)c1O 2067442204 RPIGTLLTQDKIJO-QMMMGPOBSA-N 261.224 0.927 10 10 CCCE C[C@@H]1C[C@@]1(CNC(=O)c1cc(O)nc(O)c1)C(=O)O 2101181656 MMDBUMDDNGCZAW-INWYIAFRSA-N 266.253 0.333 10 10 CCCE C[C@]1(O)CN(c2ccc(CO)cc2F)CC[C@H]1O 2081768361 XCQBJQONVVADEI-OLZOCXBDSA-N 255.289 0.640 10 10 CCCE NC(=O)C[C@@H](N)c1nc(-c2ccc(O)c(O)c2)no1 2102821846 RQEHOMFCWPZOBE-ZCFIWIBFSA-N 264.241 0.023 10 10 CCCE COC[C@H](OC)[C@H](NN)c1ccc2c(c1)CCN2C 2106869596 INKKHWLULINEDD-UONOGXRCSA-N 265.357 0.845 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCCCNC1 2087730348 XPGQLRQHCDULMU-LLVKDONJSA-N 264.325 0.899 10 10 CCCE Nc1ccc(OCCN2CC[C@H](OCCO)C2)cc1 2109130402 LBDSAMIDLXTGTJ-AWEZNQCLSA-N 266.341 0.731 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3CC([C@@H](F)CO)C3)ccc21 2110595166 NWYMZVMWLBPMOF-CMPLNLGQSA-N 265.288 0.405 10 10 CCCE CNC(=O)OC1CN(C(=O)c2ccc(O)c(O)c2)C1 2090745223 PZVSVVQTDXYDGJ-UHFFFAOYSA-N 266.253 0.278 10 10 CCCE COCCNCc1ccc(N2C[C@H](F)[C@H](O)C2)cc1 2092827346 UYCGDALBGRAODZ-UONOGXRCSA-N 268.332 0.942 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CCNCC(F)(F)C1 2093136813 FDOLCEVZOOTNSA-UHFFFAOYSA-N 272.251 0.779 10 10 CCCE Nc1ccc(OCCNS(=O)(=O)c2cn[nH]c2)cc1 38079602 GMUJPQYHSZBYFK-UHFFFAOYSA-N 282.325 0.349 10 10 CCCE COc1ccc([C@H](C)N[C@@H]2CC(=O)NC2=O)c(O)c1 2096085139 ZWAFWKIAWSMFNE-OIBJUYFYSA-N 264.281 0.467 10 10 CCCE CCN(C)C1CN(S(=O)(=O)Cc2ccc(N)cc2)C1 2113148923 AMWHWJQFEWNFOM-UHFFFAOYSA-N 283.397 0.735 10 10 CCCE CN1CCN(C(=O)c2cccc(O)c2O)[C@H](CCN)C1 2202848941 NUHCSRIPODNEDY-SNVBAGLBSA-N 279.340 0.203 10 10 CCCE COc1cc(N2CC(C(=O)NC3CC3)C2)ccc1CO 2204536208 LVVRIALBSCEZRB-UHFFFAOYSA-N 276.336 0.902 10 10 CCCE Oc1ccc(CN[C@@H]2CCC[C@H](O)[C@H]2O)c(O)c1O 2224343838 XQWQYXXJTAFOBB-PTRXPTGYSA-N 269.297 0.167 10 10 CCCE COc1ccc(N2CCOC[C@@H]2CN(C)C)c(CO)c1 2236003052 PLMDBRRYBSCKFE-ZDUSSCGKSA-N 280.368 0.954 10 10 CCCE O[C@H]1CCN(c2ccc3c(c2)OC(F)(F)O3)C[C@@H]1O 2226703266 XARSRIRBJXDWKJ-IUCAKERBSA-N 273.235 0.940 10 10 CCCE COc1ccc(N2CC(CC(N)=O)C2)c(C(=O)O)c1 2227669317 AMQMKWLMKZQRAM-UHFFFAOYSA-N 264.281 0.705 10 10 CCCE C[C@H](O)c1ccc(N2C[C@@H]3OC[C@H](CO)O[C@H]3C2)cc1 2279761109 OGHCVNHHKUFLAD-HJPIBITLSA-N 279.336 0.705 10 10 CCCE CO[C@H]1CNC[C@@H]1C(=O)NCc1cnc(SC)s1 2256948645 NNCGWTQGDXZZSQ-IUCAKERBSA-N 287.410 0.716 10 10 CCCE COC(=O)[C@@]1(NCCCN=[N+]=[N-])C[C@H]2CO[C@H]1C2 2258384397 XKKHFLSCOLDFCA-ATZCPNFKSA-N 254.290 0.997 10 10 CCCE CSc1ncc(CNC(=O)[C@]23C[C@](CN)(CO2)C3)s1 2269087918 NREAQTXXPAZQMY-TXEJJXNPSA-N 299.421 0.989 10 10 CCCE Cc1cc(N2CC3(CNC(=O)N3)C2)ccc1[C@H](C)N 2269665671 JJFSEILFLMTXTF-JTQLQIEISA-N 260.341 0.886 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N3CCC[S@](=O)CC3)ccc21 322064642 VXLBTRNKCZFRLD-XCLFUZPHSA-N 293.392 0.858 10 10 CCCE Cc1cc(N2CC3(C2)OC[C@@H](O)[C@H]3O)ccc1[C@H](C)O 2285160818 ODOUCYJBNFGUQO-ZLKJLUDKSA-N 279.336 0.359 10 10 CCCE Cc1cc(N2CC([C@@H](O)CO)C2)ccc1[C@@H](C)O 2315276343 NDPCADYKKNXTGT-YGRLFVJLSA-N 251.326 0.838 10 10 CCCE COCC1(O)CC(C(=O)N2CC[C@H](N=[N+]=[N-])C2)C1 2320763378 XRLNHPZNWNIINT-YUCVTWSNSA-N 254.290 0.685 10 10 CCCE N[C@@H]1C[C@@H]2C[C@H]1C[C@H]2NC(=O)c1cccc(O)c1O 2329593104 PAHFXZREEMZARI-OINDSLJFSA-N 262.309 0.953 10 10 CCCE COc1ccc(N2C[C@@H]3C[C@H]2[C@@H](O)[C@@H]3O)c(CO)c1 2333717957 FAUYVPSEJRFSJM-VGSLSFOHSA-N 265.309 0.118 10 10 CCCE Cc1cnc(C)c([C@@](C)(NCCN=[N+]=[N-])C(N)=O)n1 2336576292 CBDKUEVYWOZEEX-LLVKDONJSA-N 263.305 0.694 10 10 CCCE COc1ccc(N2C[C@@H]3C[C@H]2[C@@H](O)[C@H]3O)c([N+](=O)[O-])c1 2354485883 SGYFTYNQUXANDZ-GIMBAOAISA-N 280.280 0.534 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3[C@H]4CC[C@H](C4)[C@@H]3CO)ccc21 2355770859 UJNGRNHAZBJBFZ-GHSKTYPESA-N 273.336 0.988 10 10 CCCE Nc1ccc(NC(=O)N2[C@H]3CC[C@@H]2C[C@H](O)[C@H]3O)cc1 2357052642 LYXSDMSGVFEQQQ-VOAKCMCISA-N 277.324 0.759 10 10 CCCE O=C(c1cccc(O)c1O)N1CC[C@@H]2C[C@H]1[C@@H](O)[C@@H]2O 2357593155 SEDZIXKFYKLHMQ-DKRZYWPISA-N 279.292 0.054 10 10 CCCE CN(C)CCCNC(=O)Nc1cc(O)c(O)c(O)c1 217278814 CPCMKMAHUWCHAY-UHFFFAOYSA-N 269.301 0.877 10 10 CCCE Cc1ccc(O)c([C@@H](C)NCCNS(C)(=O)=O)c1 35628959 QFVGKTVZTDXKRP-SNVBAGLBSA-N 272.370 0.900 10 10 CCCE CN[C@H]1COC[C@H]1C(=O)NCc1ccccc1O 228423596 WFOZWPFOKWPAQI-MNOVXSKESA-N 250.298 0.243 10 10 CCCE C[C@H](O)C[C@H](C)NS(=O)(=O)Cc1ccc(N)cc1 228055868 IBEVDXOLZCBHHZ-UWVGGRQHSA-N 272.370 0.848 10 10 CCCE CN(C)c1ccc([C@@H](Cc2cn(C)nn2)NN)cc1 234249348 HXMNUEXXAKMCCK-CYBMUJFWSA-N 260.345 0.628 10 10 CCCE CN[C@@H](C)c1ccc2c(c1)CCN2C[C@H](O)CO 162144972 OCPCGRCWPMURHC-GWCFXTLKSA-N 250.342 0.683 10 10 CCCE Nc1ccc(CCNS(=O)(=O)[C@H]2C[C@@H](C(=O)O)C2)cc1 2162467275 HHNOJNKFJKARNW-KLPPZKSPSA-N 298.364 0.594 10 10 CCCE NC[C@@]1(CO)COCCN1c1ccc2c(c1)CCCO2 2162668650 ACLJUIHMAVBXDX-OAHLLOKOSA-N 278.352 0.538 10 10 CCCE O=S1(=O)CCNC[C@@H]1CCNCc1ccccc1O 903967206 ANMAHHZMGROYIM-LBPRGKRZSA-N 284.381 0.259 10 10 CCCE Nc1ccc(CC(=O)N2CC[C@@H](Cn3ccnn3)C2)cc1 852844360 SXULHKNRQLQBDO-CYBMUJFWSA-N 285.351 0.952 10 10 CCCE CN(Cc1ccc(N(C)C)cc1)C(=O)C1=NO[C@@H](CN)C1 852882522 KFBNMZYDJRZQRG-CYBMUJFWSA-N 290.367 0.815 10 10 CCCE NC[C@H]1CN(C(=O)c2cc(O)nc(O)c2)CC12CCC2 693696606 MWUKXFHVGXZLJA-JTQLQIEISA-N 277.324 0.694 10 10 CCCE O=C1OC[C@H]2CN(Cc3cc4c(cc3O)OC[C@H]4O)C[C@@H]12 863338916 XFZJHYQIUTUGQO-IRUJWGPZSA-N 291.303 0.423 10 10 CCCE C[C@H](NC(=O)C1(CN)CC(O)C1)c1ccccc1O 1357993648 PUHYXIBTTLOEFF-IPWFMCSPSA-N 264.325 0.669 10 10 CCCE CS(=O)(=O)CCS(=O)(=O)Nc1ccc(O)cc1 63143282 IKUGOUZRKRYIHO-UHFFFAOYSA-N 279.339 0.179 10 10 CCCE COc1ccc(N2CCC(O)(CN)CC2)cc1OC 71598510 YWXGMPDCDHSPRR-UHFFFAOYSA-N 266.341 0.994 10 10 CCCE COc1ccc(N(CCC(=O)O)CC(=O)O)cc1[N+](=O)[O-] 71716688 CERMRBBAOAFRFU-UHFFFAOYSA-N 298.251 0.969 10 10 CCCE Nc1ccc(OCC(=O)NC[C@]2(O)CCSC2)cc1 702224671 UJRDLBLTJPLHNG-CYBMUJFWSA-N 282.365 0.632 10 10 CCCE CC[C@@H]1NCC[C@H]1NC(=O)c1cccc(O)c1O 704604507 ADLAMMBFAAOYNW-VHSXEESVSA-N 250.298 0.968 10 10 CCCE C[C@@H](NCc1cc(Br)ccc1O)[C@@H](O)CO 705187183 VPWOIIXRSFHVDI-HQJQHLMTSA-N 290.157 0.986 10 10 CCCE C[C@@H]1CN(C(=O)c2cccc(O)c2O)CCN1CCO 790943397 KTAPDURPEVUVHF-SNVBAGLBSA-N 280.324 0.236 10 10 CCCE O=C1CC[C@@H]2[C@@H]1[C@@H]2C(=O)NCc1c(O)cccc1O 1156885469 FWNHTEFIQXXZAH-HYJLZEBJSA-N 261.277 0.939 10 10 CCCE CCN[C@H](C)c1ccc(N2CC(=O)NC(=O)C2)cc1O 93671950 BHYQPWIJEJYWBB-SECBINFHSA-N 277.324 0.526 10 10 CCCE O=C(CN1C[C@H]2C[C@H]1C[C@@H]2O)c1ccc(O)c(O)c1 2115417566 IVESMJDQLWGSNI-SCVCMEIPSA-N 263.293 0.736 10 10 CCCE C[C@]1(NCc2cccc(F)c2O)CCC(=O)NC1=O 2116210002 YYUNKYJKDNMIHO-ZDUSSCGKSA-N 266.272 0.816 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC[C@]2(C1)C[C@@H](O)C2 2125973276 PYQAVLQANLQHRT-SWZMTVOYSA-N 264.281 0.480 10 10 CCCE C[C@H](N[C@H]1CCO[C@@H]1C(N)=O)c1c(O)cccc1O 2117463182 ODRXDLUKBODISK-UBJUHAIHSA-N 266.297 0.391 10 10 CCCE Nc1ccc(O)c(CN2C[C@@H]3C[C@H](C2)[C@H](O)[C@H]3O)c1 2126162238 QKMRUXZLQBMWOO-DJBIQUGXSA-N 264.325 0.148 10 10 CCCE O=C(N[C@@H](CO)CC(F)F)c1c(F)ccc(O)c1O 1183174963 BCBASSLZLZVQHA-RXMQYKEDSA-N 279.214 0.983 10 10 CCCE N[C@H]1CCc2cc(N3C[C@@H](CO)[C@H](CO)C3)ccc21 2128326155 CGNKCWAFNAAXSB-HUBLWGQQSA-N 262.353 0.670 10 10 CCCE N[C@H]1CCc2cc(N3CCN(CCO)CC3)ccc21 2128319370 SFTNSABBPQBWJW-HNNXBMFYSA-N 261.369 0.747 10 10 CCCE CC(=O)NCCN(C)C(=O)c1cc(O)c(O)c(O)c1 2132348130 FICRJIZNEHIBDO-UHFFFAOYSA-N 268.269 0.012 10 10 CCCE C[C@@H]1OC[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)[C@H]1C 2132349169 ZRWQRLGYWYFPAI-ACLDMZEESA-N 267.281 0.957 10 10 CCCE CN(C(=O)c1cc(O)c(O)c(O)c1)C1(C(N)=S)CC1 2132401301 STZGOEUWOLUEJF-UHFFFAOYSA-N 282.321 0.694 10 10 CCCE CN[C@@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)[C@@H]1C 2132406925 LLPVQNLPBARDHA-VXNVDRBHSA-N 266.297 0.626 10 10 CCCE N[C@@H]1CC[C@@H](C(=O)O)N(Cc2c(O)cccc2F)C1 2132280606 JXSDOMMPIMLZSR-KCJUWKMLSA-N 268.288 0.908 10 10 CCCE C[C@H](N)[C@@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)C1 2132412600 FRNLOJVMFGQOAD-JGVFFNPUSA-N 266.297 0.613 10 10 CCCE COc1cccc(O)c1CN1CCN[C@@H]2COC[C@H]21 2132567164 GZJHLHOUMZPIOE-VXGBXAGGSA-N 264.325 0.573 10 10 CCCE CS(=O)(=O)N1CC[C@@H](N2CC[C@@H](N=[N+]=[N-])C2)C1 1912172073 QYEVUALTVCGVNX-RKDXNWHRSA-N 259.335 0.405 10 10 CCCE [N-]=[N+]=N[C@H]1CCN(C(=O)[C@H]2CCCS(=O)(=O)C2)C1 1912173104 YXDDVVPLHIJQTA-IUCAKERBSA-N 272.330 0.722 10 10 CCCE CO[C@@H]1CS(=O)(=O)C[C@@H]1N1CCC(CN=[N+]=[N-])CC1 1912173356 LRIMLAKIFCEVCE-WDEREUQCSA-N 288.373 0.821 10 10 CCCE CC(C)N(Cc1ccc(N)cc1)S(=O)(=O)N1CC(O)C1 1914168264 VUKRIAGXENFETM-UHFFFAOYSA-N 299.396 0.401 10 10 CCCE O=C(NC[C@@]12CC[C@H]1CNC2)c1cccc(O)c1O 2136066906 RFVJTRYNJPEUBJ-XPTSAGLGSA-N 262.309 0.827 10 10 CCCE O=C(c1cccc(O)c1O)N1CC[C@@H](O)C[C@H]1CO 2136056986 DOKZHEZLYNINRC-DTWKUNHWSA-N 267.281 0.056 10 10 CCCE C[C@@H](NCc1ccc(O)c(O)c1O)c1nncn1C 226754378 HIKMCJFUOXQRCE-SSDOTTSWSA-N 264.285 0.783 10 10 CCCE CC1(C)CN(CC(=O)Nc2ccc(N)cc2)C[C@H](CO)O1 162932880 UGHNLFATKHJYAI-CYBMUJFWSA-N 293.367 0.679 10 10 CCCE COc1cc(N2C[C@H](O)[C@H](O)C2(C)C)ccc1CN 2139684693 BEKAFXWSCVYEAZ-AAEUAGOBSA-N 266.341 0.474 10 10 CCCE CNCc1ccc(N2C[C@H](O)C[C@@H]2CO)cc1OC 2139683848 BOTKTAHNDJQQOP-CHWSQXEVSA-N 266.341 0.347 10 10 CCCE Cc1ccc(CN2CC[C@]3(CNC(=O)N3)C2)c(O)c1 2139784064 DQCVWXYCORFBRC-AWEZNQCLSA-N 261.325 0.958 10 10 CCCE Cc1cccc(CNS(=O)(=O)C[C@@H]2CCNC2)c1O 2139762949 DELOBPJCTDSQTN-LLVKDONJSA-N 284.381 0.730 10 10 CCCE C[C@@H](NCc1ccc(O)c(O)c1O)C(=O)NC1CC1 235201717 OJBXBDWKHHKYSB-SSDOTTSWSA-N 266.297 0.560 10 10 CCCE C[C@H](N)C[S@@](C)(=O)=NC(=O)COc1ccc(N)cc1 1876440994 AUUBRUBAXOHKHW-ZRNGKTOUSA-N 285.369 0.619 10 10 CCCE NC[C@@H]1CCCCN1C(=O)COc1ccc(N)cc1 1876451437 OCIMNBBCVFYVER-LBPRGKRZSA-N 263.341 0.987 10 10 CCCE CNCc1ccc(N2C[C@H]3C[C@H]2CN3C(N)=O)cc1 1877076783 SOQGWPJPSJPZCV-QWHCGFSZSA-N 260.341 0.748 10 10 CCCE CN(CC(=O)N(C)CCCN)Cc1ccccc1O 1877532929 MJBGPLCNCPSVOT-UHFFFAOYSA-N 265.357 0.631 10 10 CCCE CN[C@@H](C)c1ccc(N2CCC2(CO)CO)cc1O 1879987781 XFEGNBGVHBTYGD-JTQLQIEISA-N 266.341 0.606 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CC([C@H]2CCNC2)C1 1886877057 SXCAPTAJBGPQRY-JTQLQIEISA-N 262.309 0.779 10 10 CCCE C[C@@H](c1ccccc1O)N1CCNC(=O)[C@H]1CC(=O)O 251537103 NXWJPZDVIOIJBB-GXSJLCMTSA-N 278.308 0.728 10 10 CCCE C[C@H](CS(=O)(=O)N(C)C)NCc1cc(F)ccc1O 1967713131 JVEHDXDZIVLZQC-SECBINFHSA-N 290.360 0.901 10 10 CCCE N[C@@H]1CCCCN(C(=O)Cc2ccc(O)c(O)c2)C1 1971377699 GFMJFWZVQMNYPC-LLVKDONJSA-N 264.325 0.980 10 10 CCCE COC1CC(NC(=O)c2ccc(O)c(O)c2)(C(=O)O)C1 2151211779 OAGDJGPDONHMFC-UHFFFAOYSA-N 281.264 0.460 10 10 CCCE CS(=O)(=O)CNC(=O)N1CCC[C@H](N=[N+]=[N-])C1 2024084179 MLQCDZLCGSZPAU-ZETCQYMHSA-N 261.307 0.473 10 10 CCCE CN(C)C(=O)CCN1CCN(c2ccc(N)cc2)CC1 57994639 GLHCFFNKJPNMON-UHFFFAOYSA-N 276.384 0.869 10 10 CCCE COCCNC(=O)CNCc1ccc(Cl)cc1O 2029640384 ALBFQLPPHSFVCC-UHFFFAOYSA-N 272.732 0.898 10 10 CCCE C[C@H](C(=O)NCCc1ccc(O)c(O)c1)C(N)=S 2031078951 NYONJJHJDCNNRA-ZETCQYMHSA-N 268.338 0.679 10 10 CCCE O=C1Nc2cc(N3CC[C@H]3CO)c(F)cc2[C@H]1O 2031680989 QFIZOCBYYBCZIW-UPONEAKYSA-N 252.245 0.382 10 10 CCCE COC[C@@](C)(N)CC(=O)NCc1ccccc1O 2040256052 HQUVJANUAJBYEZ-ZDUSSCGKSA-N 252.314 0.762 10 10 CCCE C[C@@H]1C[C@H](O)CN(S(=O)(=O)Cc2ccc(N)cc2)C1 401472745 JENCYBKGUJZEPD-MFKMUULPSA-N 284.381 0.801 10 10 CCCE Nc1ccc(OCC(=O)NCC[C@@]2(O)CCOC2)cc1 404178107 UZSBARLRKHOFHH-CQSZACIVSA-N 280.324 0.305 10 10 CCCE C[C@H](c1c(O)cccc1O)N1CC(O)([C@H](F)C(=O)O)C1 2172288925 GHXUWGMYNAFLPU-RDDDGLTNSA-N 285.271 0.628 10 10 CCCE O=C(CN1[C@H]2CC[C@H]1C(=O)NC2)c1ccc(O)c(O)c1 2172387157 NCCWRQLSFAIHHH-UWVGGRQHSA-N 276.292 0.243 10 10 CCCE COC[C@@H]1CN(Cc2cc(N)ccc2O)CCO1 705841320 XXSFQDVLFWKDOT-LBPRGKRZSA-N 252.314 0.822 10 10 CCCE COCCNC(=O)N1CCN(c2ccc(N)cc2)CC1 2173095953 IHNXQNUQHGINQP-UHFFFAOYSA-N 278.356 0.747 10 10 CCCE [N-]=[N+]=N[C@H]1CCCN(C(=O)[C@@H]2CCCC(=O)N2)C1 709675921 QNCDKMCBMVTNFC-IUCAKERBSA-N 251.290 0.956 10 10 CCCE C[C@H]1CS(=O)(=O)C[C@@H]1NCc1ccc(O)cc1O 711657163 XCBWGFKIPQGKCI-KWQFWETISA-N 271.338 0.621 10 10 CCCE CN(C)C1[C@@H]2CN(C(=O)c3cccc(O)c3O)C[C@@H]12 384721214 IHEUVCZBHUOBHT-NXEZZACHSA-N 262.309 0.730 10 10 CCCE CCN[C@H]1CCOC[C@@H]1NC(=O)c1ccc(O)c(O)c1 717161825 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C[C@H]1CN(C(=O)c2cccc(O)c2O)CC[C@H]1N 126710048 FMJIRJWPPBYORO-WCBMZHEXSA-N 250.298 0.907 10 10 CCCE O=C1N[C@@H](c2cc(F)ccc2O)N2CCOC[C@H]12 180269536 QLZJFNYKTOZGEX-MWLCHTKSSA-N 252.245 0.361 10 10 CCCE Nc1ccc(OCCNC(=O)[C@@H]2CCCO2)cc1 32105137 WAHHQARQXQJTKI-LBPRGKRZSA-N 250.298 0.943 10 10 CCCE C[C@@H]1CO[C@H](CO)CN1C[C@@H](O)COc1ccc(N)cc1 221074836 CVHGDXICAXCGJP-KYOSRNDESA-N 296.367 0.090 10 10 CCCE CCN[C@@H](CN(C)c1ccc(OC)cc1)C(N)=O 49971972 SAFDTSSJZOUTKT-LBPRGKRZSA-N 251.330 0.595 10 10 CCCE C[C@H](CS(C)(=O)=O)NCc1ccc(O)c(O)c1 83972431 WVUQBGZSBKFOBF-MRVPVSSYSA-N 259.327 0.621 10 10 CCCE O=[N+]([O-])c1ccc(N2CC[C@@H](CO)C2)cc1CO 236507265 ZBOJWAKHSLYHOF-SECBINFHSA-N 252.270 0.906 10 10 CCCE COc1cc(C(=O)N[C@H]2CNCCSC2)cc(OC)n1 2166941710 ZWQPCHBRZFUDRO-JTQLQIEISA-N 297.380 0.534 10 10 CCCE COC[C@@H](O)CNC(=O)/C=C\c1ccc(O)c(O)c1 802223213 NFVAZPDSPPWBLF-ATPLWMGHSA-N 267.281 0.235 10 10 CCCE CC(C)(C)[C@@H](O)C[C@@H](CO)NC(=O)c1cccc(O)c1O 803567612 RZNXOBYJQBMKLE-CABZTGNLSA-N 297.351 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NC(=O)c1coc(CNC(=O)c2cccc(O)c2O)n1 1557449976 LPAPNAAOUQAGQA-UHFFFAOYSA-N 277.236 0.115 10 10 CCCE COc1ccc(N2CC(=O)N[C@@H](C)C2)cc1C(=O)O 84630763 BSZYDUNWCGIDRS-QMMMGPOBSA-N 264.281 0.718 10 10 CCCE CN1CCN(Cc2ccc(O)cc2O)C[C@H]1C(=O)O 686100251 HLDOODJTNOUTRD-NSHDSACASA-N 266.297 0.298 10 10 CCCE CCc1cccc(CN[C@H]2CCC(=O)NC2=O)c1O 691522495 LWSTUQKCRRWNJJ-NSHDSACASA-N 262.309 0.849 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC1CC(F)(F)C1 697447965 UAUADFBXPXGKMO-VIFPVBQESA-N 286.278 0.882 10 10 CCCE C[C@@H](NCc1ccc2c(c1)CCCN2C)[C@H](O)CO 698979942 VZHQRUPZEJBMQT-IAQYHMDHSA-N 264.369 0.900 10 10 CCCE COCCN1C(=O)N=C(N)[C@H]1c1ccc(O)c(O)c1 94514984 QELFLYPTKZHRGA-SNVBAGLBSA-N 265.269 0.578 10 10 CCCE CN(C)C[C@@H]1C[C@H](O)CN1Cc1cc(N)ccc1O 97245250 SYELKXQSRLCFEX-STQMWFEESA-N 265.357 0.471 10 10 CCCE O=C(CCCn1cncn1)NCc1c(O)cccc1O 1156885563 JQLPKAFBVUWMTP-UHFFFAOYSA-N 276.296 0.786 10 10 CCCE NCc1cc(F)c(N2CCC[C@H]2[C@@H](O)CO)c(F)c1 2123236148 AZFYBUKGPJPSTO-RYUDHWBXSA-N 272.295 0.746 10 10 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CN[C@H](C)c1ccc(N2C[C@H](O)[C@H](O)[C@H]2CF)cc1 2140662314 LEERSPXPQCQOJM-WBMYTEFPSA-N 268.332 0.847 10 10 CCCE C[C@@H](c1c(O)cccc1O)N1CCN2C(=O)NC[C@@H]2C1 235497319 BGEVMMIXIIMHAS-VHSXEESVSA-N 277.324 0.868 10 10 CCCE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1C(=O)NCCN=[N+]=[N-] 1885562116 AUJDWPNGDUOWAU-BDAKNGLRSA-N 299.331 0.953 10 10 CCCE COc1ccc(O)c(CNCCN2CCOC2=O)c1 1963437813 SYBHJBNAJOMMJF-UHFFFAOYSA-N 266.297 0.943 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)[C@H]1CCCCN1 1968738647 CINLFPMDSHROQE-LLVKDONJSA-N 264.325 0.899 10 10 CCCE C[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CC[C@@H]1N 1969610863 URSXSJPLDFBIQX-ONGXEEELSA-N 264.325 0.836 10 10 CCCE CO[C@@H](C)[C@H](NC(=O)CCc1ccc(N)cc1)C(=O)O 2143995916 SKEMRTNTABIXGO-ZANVPECISA-N 280.324 0.806 10 10 CCCE Nc1ccc(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@@H]3C2)cc1 2144164430 HZNDSQSHKZCKOI-RYUDHWBXSA-N 294.376 0.314 10 10 CCCE Cn1cc(S(=O)(=O)Nc2ccc(O)cc2C(=O)O)nn1 2144431495 CKSLODAGAIQGBF-UHFFFAOYSA-N 298.280 0.020 10 10 CCCE Nc1cc2c(cc1N1CC[C@@H](O)[C@@H](F)C1)NC(=O)CO2 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CN1CCCC12CN(CC(=O)Nc1ccc(N)cc1)C2 2186532666 QYWFLLAVEYHINQ-UHFFFAOYSA-N 274.368 0.987 10 10 CCCE C[C@H](NC(=O)c1cc(O)c(O)c(O)c1)C(C)(C)O 2068575417 CKPFCRDQVRRIKR-LURJTMIESA-N 255.270 0.693 10 10 CCCE COCCNC[C@H](C)NCc1ccc(O)c(O)c1 2068612846 OWHDYFHUUMKNLI-JTQLQIEISA-N 254.330 0.812 10 10 CCCE Nc1ccc(NC(=O)NC2([C@@H](O)CO)CC2)cc1 2071558374 LTWHBWYZERZMCG-JTQLQIEISA-N 251.286 0.276 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@H]2CNC3(CCC3)C2)cc1 2191620058 DYLQRCCSZQVLRT-CYBMUJFWSA-N 295.408 0.973 10 10 CCCE C[C@H]1CNC[C@@H](C)[C@@H]1NS(=O)(=O)Cc1ccc(N)cc1 2191642950 ZJWQVXAUICAKEK-YABSGUDNSA-N 297.424 0.932 10 10 CCCE COCC(CNC(=O)COc1ccc(N)cc1)COC 2199395990 OTLVBXYBPGLMGH-UHFFFAOYSA-N 282.340 0.673 10 10 CCCE Nc1ccc(NC(=O)N2CC[C@H]3C[C@H]2[C@H](O)[C@@H]3O)cc1 2199522852 OSFZWUDDMFTQBK-KNDHEWATSA-N 277.324 0.617 10 10 CCCE COc1cc(N(C)C2CS(=O)(=O)C2)ccc1CO 2084004164 IBOVUCGGJAOFAO-UHFFFAOYSA-N 271.338 0.421 10 10 CCCE CN(C[C@H]1COCCN1)C(=O)c1ccc(O)c(O)c1 2104236349 FISFTSWPQLPETL-JTQLQIEISA-N 266.297 0.158 10 10 CCCE CS(=O)(=O)[C@H]1CCC[C@@](NCCN=[N+]=[N-])(C(N)=O)C1 2104527102 BKKOENUOBOMPMZ-WPRPVWTQSA-N 289.361 0.098 10 10 CCCE COC1(C(N)=O)CN(c2ccc([C@@H](C)O)c(O)c2)C1 2104898811 QYFPAIYJUYOBIE-MRVPVSSYSA-N 266.297 0.136 10 10 CCCE COCC[S@](=O)CCNCc1cccc(O)c1O 2085936468 MQVMNDMMUBABMC-GOSISDBHSA-N 273.354 0.583 10 10 CCCE OCC[C@@H]1CN(c2ccc3c(c2)COCC3)CCN1 2106387457 BKOUSMWEIVVHPG-CQSZACIVSA-N 262.353 0.920 10 10 CCCE CCN1CCc2cc([C@@H](NN)c3cnn[nH]3)ccc21 2106852243 CYHXPRHLHDSJDW-CYBMUJFWSA-N 258.329 0.740 10 10 CCCE Nc1ccc(CCNC(=O)c2nccnc2O)cc1 2110854004 DFQLNEYPGXWMSO-UHFFFAOYSA-N 258.281 0.737 10 10 CCCE N=c1[nH]c(=NCCc2ccc(O)c(O)c2)[nH]cc1F 2091756364 RMZYIWPOWXFTCY-UHFFFAOYSA-N 264.260 0.516 10 10 CCCE NC1[C@H]2CC[C@H]1CN(C(=O)c1ccc(O)c(O)c1)C2 2099325191 SICJJAWMWAGDMC-UWVGGRQHSA-N 262.309 0.907 10 10 CCCE COc1ccc(N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1C 2206573432 ZZVNZKPHVOQNMF-OLZOCXBDSA-N 275.352 0.752 10 10 CCCE CCS(=O)(=O)CNC(=O)N1CC[C@@H](CN=[N+]=[N-])C1 2218515761 ZIYVHJCFYUTXDS-QMMMGPOBSA-N 275.334 0.720 10 10 CCCE COc1ccc(N(C)C(C)(C)C(N)=O)c(CO)c1 2220426125 CYVLATBRHHMJQJ-UHFFFAOYSA-N 252.314 0.888 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CC(CCCO)C1 2230540835 JLLCCYVUDHEEIC-UHFFFAOYSA-N 267.281 0.648 10 10 CCCE Nc1ccc(OCC(=O)N[C@@H]2CCC[C@H](O)[C@H]2O)cc1 2232558122 ZHIUVOSRLOLRAX-DYEKYZERSA-N 280.324 0.038 10 10 CCCE COc1ccc(N2C[C@@H]3CN[C@H](CO)[C@@H]3C2)c(OC)c1 2235555082 RXLVCHHCBUTWSV-CYZMBNFOSA-N 278.352 0.720 10 10 CCCE [N-]=[N+]=N[C@@H]1CCC[C@H]1NC(=O)[C@H]1CN2CCN1CC2 2225796490 XRLJDAGHHQWYQC-GMTAPVOTSA-N 264.333 0.334 10 10 CCCE COc1ccc(N2C[C@]3(CO)C[C@]3(CO)C2)c(C=O)c1 2235982057 CGXXVMSZYGRPEY-GASCZTMLSA-N 277.320 0.689 10 10 CCCE CC[C@H]1C(=O)NCCN1c1ccc(OC)cc1CN 2227672807 KHDIMXNEUZUEED-LBPRGKRZSA-N 263.341 0.869 10 10 CCCE COc1ccc(N2C[C@H](O)C[C@@H](OC)C2)c(CO)c1 2227711890 UJPODCBBKHGCOK-DGCLKSJQSA-N 267.325 0.774 10 10 CCCE O=c1c2c(ccn1C[C@@H]1[C@@H]3CCOC[C@@H]31)CCNC2 2228425336 SFVABTHIFKHJOA-YUTCNCBUSA-N 260.337 0.777 10 10 CCCE CCC(CO)(CO)C(=O)NCc1cnc(SC)s1 2256941139 FDDIQPHCLJWNAA-UHFFFAOYSA-N 290.410 0.862 10 10 CCCE COC(=O)NC[C@@H](C)NCc1cccc(O)c1O 2258236156 HGLSHWQZPJAYFY-MRVPVSSYSA-N 254.286 0.932 10 10 CCCE COc1cc(OC)c(N2C[C@@H](O)C[C@H]2CO)cc1OC 2289334939 ZZMJQMICOGMBHV-UWVGGRQHSA-N 283.324 0.644 10 10 CCCE CO[C@H](CO)CNC(=O)CCc1ccc(N)cc1 2263476816 MKFGHQJHBRPCSI-LBPRGKRZSA-N 252.314 0.325 10 10 CCCE Cc1cc(N2C[C@H](O)[C@@H](O)[C@@H](CO)C2)ccc1[C@@H](C)N 2289405322 NPJSHSOFDMPNIJ-FIXIBIHLSA-N 280.368 0.165 10 10 CCCE O=C1NC(=O)N(c2ccccc2)C(=O)C1=CNCCCO 2297314451 QFMJWGWHWSOMPX-UHFFFAOYSA-N 289.291 0.125 10 10 CCCE CC(C)[C@](C)(NC(=O)c1cc(O)c(O)c(O)c1)C(N)=O 1148590184 YGLATXNVVIJCTI-ZDUSSCGKSA-N 282.296 0.433 10 10 CCCE CSc1cc(N2CC[C@H]2[C@H](O)CO)ccc1CN 2328543002 IMWHGOBBNGVHEW-NWDGAFQWSA-N 268.382 0.799 10 10 CCCE N[C@H]1[C@@H]2CC[C@H]1N(C(=O)Cc1ccc(O)c(O)c1)C2 2331528420 NDYBPZZXGHOODW-RULNRJAQSA-N 262.309 0.588 10 10 CCCE COc1ccc(CN2C[C@@H]3[C@H](C2)CS3(=O)=O)c(O)c1 2336553314 IRXMAASJDFSKQC-ZWNOBZJWSA-N 283.349 0.630 10 10 CCCE Oc1cccc(F)c1CNC[C@@H]1C[C@@H]2C[C@H]1[C@H](O)[C@H]2O 2355454908 RLTQOUVMILTRRO-NEVCATMESA-N 281.327 0.999 10 10 CCCE C[C@H](Cc1ccc(O)c(O)c1)C(=O)N1CC[C@H](N)C1 170042078 STEBWFMHLYFLDZ-KOLCDFICSA-N 264.325 0.836 10 10 CCCE O=C1NC(=S)S/C1=C1/SC(=S)NC1=O 308527168 POSRQXPTOZIDKS-OWOJBTEDSA-N 262.362 0.494 10 10 CCCE CCOC(=O)CS(=O)(=O)NCCCCN=[N+]=[N-] 231733659 WRUGIRCXHZGUMX-UHFFFAOYSA-N 264.307 0.559 10 10 CCCE CNC[C@H]1CN(Cc2ccc(O)c(O)c2)CCO1 125146877 FNLUUWUTFIZQMO-NSHDSACASA-N 252.314 0.518 10 10 CCCE O=C1CC[C@H](NC(=O)Cc2ccc(O)c(O)c2)CN1 1963608384 FGMXHKRBOKEDGF-VIFPVBQESA-N 264.281 0.035 10 10 CCCE CCNC(=O)CCNS(=O)(=O)Cc1ccc(N)cc1 228309323 WIJDWJBNIDUBCQ-UHFFFAOYSA-N 285.369 0.214 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@H]1COC[C@@H]1N 90382884 CHIXNSBSBITSIA-QWRGUYRKSA-N 250.298 0.324 10 10 CCCE CCOc1cccc([C@@H]2NC(=O)[C@@H]3COCCN32)c1O 93884992 UHMFZSNBFUMQDN-GXFFZTMASA-N 278.308 0.620 10 10 CCCE Cc1ccc(C(=O)N[C@@H](C)Cn2cncn2)c(O)c1O 271317713 WQCQUNGWWDFAPW-VIFPVBQESA-N 276.296 0.816 10 10 CCCE CCNC(=O)[C@@H]1CNCCN1c1ccc(OCC)cc1 2162647903 SODHOJMMKZZFAY-AWEZNQCLSA-N 277.368 1.000 10 10 CCCE CCN1CCc2cc([C@@H](NN)c3cn(C)nn3)ccc21 2163156273 OITSXOONZQDPSK-CQSZACIVSA-N 272.356 0.750 10 10 CCCE CN[C@H](C)c1ccc(N2CC(O)(C(=O)OC)C2)cc1O 714425133 CAYBQAAMPXLNJP-SECBINFHSA-N 280.324 0.397 10 10 CCCE CCOC(=O)C(=O)[C@H](N)c1cc([N+](=O)[O-])cc(OC)c1O 725421053 UQONWUYMYNBPBT-SECBINFHSA-N 298.251 0.441 10 10 CCCE CC(=O)C(=O)COC(=O)[C@H]1COc2ccc(O)cc2O1 829408340 ANDUXJMWMFDSAR-GFCCVEGCSA-N 280.232 0.233 10 10 CCCE Oc1cccc(CNCCCN2CCOCC2)c1O 41116633 HOUCJXWGOFBRJT-UHFFFAOYSA-N 266.341 0.910 10 10 CCCE CCOc1cccc([C@@H]2NCCN(C)C2=O)c1O 1951970293 OGKZPBVQACNRMY-NSHDSACASA-N 250.298 0.894 10 10 CCCE Cc1cc(N(C)C)ccc1CN1C[C@@H](O)C[C@@H](O)C1 840920111 BRLPBTZUZIBHRP-GASCZTMLSA-N 264.369 0.989 10 10 CCCE CC(C)S(=O)(=O)CC(=O)NCc1c(O)cccc1F 928711899 LQIDXSHXBOJTRZ-UHFFFAOYSA-N 289.328 0.971 10 10 CCCE CN1CCN(C(=O)NCCc2ccc(N)cc2)CCC1=O 851664533 DPFWMQZKUBBCOH-UHFFFAOYSA-N 290.367 0.685 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@@H](N)c1cnn(C)c1 131446660 XVQUMFRVVMLDRW-ZDUSSCGKSA-N 274.324 0.784 10 10 CCCE O=C1CCC[C@H](C(=O)N2Cc3cccc(O)c3C2)N1 871204506 DUKLEKVCRFVNNH-LLVKDONJSA-N 260.293 0.903 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1C[C@H](O)C2(CC2)C1 1556305609 XNXDKOLCMWODJI-LBPRGKRZSA-N 263.293 0.624 10 10 CCCE C[C@@H](CNS(=O)(=O)Cc1ccc(N)cc1)[S@@](C)=O 165052250 PEXVTKXOPPPFFS-XYZCENFISA-N 290.410 0.455 10 10 CCCE Nc1ccc(CC(=O)N[C@H]2CCO[C@@H]2C(=O)O)cc1 703168492 ZRRGWROPFKGHMX-JQWIXIFHSA-N 264.281 0.170 10 10 CCCE COc1ccc([C@@H](C)N[C@@H]2CCC(=O)NC2=O)c(O)c1 89751426 JIGMFWOYEGPKPU-LDYMZIIASA-N 278.308 0.857 10 10 CCCE O=C(Nc1ncc(C(=O)O)o1)c1cc(O)nc(O)c1 2116227557 UOBARSOXTGVIBZ-UHFFFAOYSA-N 265.181 0.431 10 10 CCCE CCCN(CCO)C(=O)C(=O)N1Cc2cccc(O)c2C1 1329393738 ZWCYRJPPLAFCMK-UHFFFAOYSA-N 292.335 0.465 10 10 CCCE O=C1Nc2cc(N3CC4(CC[C@@H]4O)C3)ccc2[C@@H]1O 2123106561 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0.475 10 10 CCCE CC(C)[C@@H](NC(N)=O)C(=O)N1CC[C@@H](N=[N+]=[N-])C1 1912160465 WNBYSYJXOAQNAU-HTQZYQBOSA-N 254.294 0.591 10 10 CCCE COc1ccc(CN[C@@H]2CC(=O)N(C)C2=O)cc1C 115261196 JBZRKPPOPMMFSV-LLVKDONJSA-N 262.309 0.851 10 10 CCCE CN1C(=O)NC(=O)C(=CNCc2ccccc2)C1=O 1923853548 CGLRTUZGYZETMK-UHFFFAOYSA-N 259.265 0.368 10 10 CCCE CN1CCN(c2ccc(CN)c(F)c2)[C@@H](CCO)C1 2138082168 JWZLICGCQTYVJX-ZDUSSCGKSA-N 267.348 0.787 10 10 CCCE C[C@@H]1CO[C@H](CO)CN1Cc1cc(N)ccc1O 167855279 LFSVOFPTDKOPOU-SKDRFNHKSA-N 252.314 0.556 10 10 CCCE COc1ccc(N2CCC[C@@H]3C(=O)NC[C@@H]32)c(N)c1 232277549 QEXJFPMQMHFTPK-GWCFXTLKSA-N 261.325 0.992 10 10 CCCE CO[C@H]1CN(C(=O)Cc2ccc(N)cc2)C[C@H]1OC 234999736 RYCZQHQOKIJIMF-BETUJISGSA-N 264.325 0.684 10 10 CCCE Nc1cc2c(cc1N1C[C@@H]3C[C@H]1CN3)NC(=O)CO2 1876550974 MHPUCUAQZBMQJX-YUMQZZPRSA-N 260.297 0.150 10 10 CCCE Nc1ccc(CCC(=O)NC2(CCO)CNC2)cc1 1876522627 CVBCILNQEZKTNE-UHFFFAOYSA-N 263.341 0.042 10 10 CCCE C[C@H]1CN(c2ccc([N+](=O)[O-])c(CO)c2)C[C@@H](CO)O1 235666799 KTPHBKYLPNWHFK-CABZTGNLSA-N 282.296 0.673 10 10 CCCE Nc1ccc(CCC(=O)N2CCC2(CO)CO)cc1 1879995415 HBZYHGHKPGXFTD-UHFFFAOYSA-N 264.325 0.157 10 10 CCCE CN1C(=O)[C@H](O)c2ccc(N(C)C3(C)COC3)cc21 2143192668 FUZUQDRPBNCATH-GFCCVEGCSA-N 262.309 0.922 10 10 CCCE O=C(N[C@H]1CCN[C@H]1C1CC1)c1cccc(O)c1O 1885865654 KUGXDLDYEDSHDY-JQWIXIFHSA-N 262.309 0.968 10 10 CCCE C[C@H](CS(=O)(=O)N(C)C)NCc1ccc(N)cc1 1967979313 XGGCQODEPMOJBF-SNVBAGLBSA-N 271.386 0.638 10 10 CCCE C[C@H]1CN(C(=O)Cc2ccc(N)cc2)C[C@H](CCO)O1 1972577599 MQYJJNJINOVCFK-FZMZJTMJSA-N 278.352 0.810 10 10 CCCE NNc1ncc(F)c(=NCCc2ccc(O)c(O)c2)[nH]1 2148017945 AAXKEIXZTBXCFU-UHFFFAOYSA-N 279.275 0.389 10 10 CCCE CC(C)NC(=O)NCCNCc1ccc(O)c(O)c1O 2148842958 KHEGVJGOWXULSA-UHFFFAOYSA-N 283.328 0.601 10 10 CCCE Nc1cc2c(cc1N1CC3(CC(O)C3)C1)NC(=O)CO2 2146323063 HXSXHNVNNMMCEK-UHFFFAOYSA-N 275.308 0.561 10 10 CCCE COc1cccc(O)c1[C@@H](C(N)=O)N1CCCNCC1 2160725967 XXGBRBOPTIBDIN-ZDUSSCGKSA-N 279.340 0.223 10 10 CCCE O=C(c1cccc(O)c1O)N1CC[C@H]2OCCO[C@H]2C1 2151770042 HRQLQQSKZPZTMW-NEPJUHHUSA-N 279.292 0.728 10 10 CCCE COC[C@@]1(O)CCCN(C(=O)c2ccc(O)c(O)c2)C1 2151837187 HBEULFMBPOZACI-CQSZACIVSA-N 281.308 0.711 10 10 CCCE COc1cccc(CNCC(=O)NCC(F)F)c1O 280185009 CNBRPGIMFHHTBQ-UHFFFAOYSA-N 274.267 0.872 10 10 CCCE CC(C)N(Cc1ccc(N)cc1)[C@H]1CS(=O)(=O)C[C@H]1O 2155607305 CEXLCYAEWFQTCT-UONOGXRCSA-N 298.408 0.637 10 10 CCCE OC[C@H]1COC[C@H]1NCc1ccc(F)c(F)c1O 2029842036 VGAHMABKTPTVQE-WCBMZHEXSA-N 259.252 0.767 10 10 CCCE O=C(N[C@@H](CCO)C1CC1)c1ccc(O)c(O)c1 2029976337 BMQKXPLJASVGLH-JTQLQIEISA-N 251.282 0.989 10 10 CCCE CCN[C@H](C)CN(C)C(=O)c1cc(O)nc(O)c1 2032009994 AVHNMUYQLJUQSM-MRVPVSSYSA-N 253.302 0.563 10 10 CCCE CNC(=O)[C@H]1CNCCN1[C@H](C)c1c(O)cccc1O 300440381 HSDASPORWWBXGY-NXEZZACHSA-N 279.340 0.179 10 10 CCCE CCN(CCCCO)C(=O)c1cc(O)nc(O)c1 2041185737 SMSSGMWPJOSFAD-UHFFFAOYSA-N 254.286 0.727 10 10 CCCE CC1(CN)CC(NC(=O)c2ccc(O)c(O)c2)C1 2041613428 JSZYBYGOBXMWDG-UHFFFAOYSA-N 250.298 0.955 10 10 CCCE CN(CC(=O)NC(=O)c1ccc[nH]1)c1ccc(N)cc1 702123316 ATDITOMSWXACMF-UHFFFAOYSA-N 272.308 0.990 10 10 CCCE CS(=O)(=O)NC1CCN(c2ccc(CN)cc2)CC1 702988956 STLXOWJYNMULPC-UHFFFAOYSA-N 283.397 0.663 10 10 CCCE C[C@H](N)c1ccc(N2CCN(C)[C@@H](CO)C2)cc1O 687618276 GUVCDBDJJUVGBQ-CMPLNLGQSA-N 265.357 0.525 10 10 CCCE C[C@@H](O)CCCN(CC(N)=O)Cc1ccc(N)cc1 382073219 ZZNWASNVNMSVHK-LLVKDONJSA-N 265.357 0.717 10 10 CCCE Nc1ccc(OCC(=O)N2CCOC[C@@H]2CCO)cc1 694959159 NMPVDAKYRICVSK-LBPRGKRZSA-N 280.324 0.257 10 10 CCCE C[C@@H]1NCC[C@@H](C)[C@@H]1NC(=O)c1cc(O)nc(O)c1 389195910 PYRIKIYURSXBOK-LWINAJNOSA-N 265.313 0.609 10 10 CCCE Oc1cc(CCNCc2cc3c(cc2O)OCO3)[nH]n1 391388671 FVLWMDQINFUAMG-UHFFFAOYSA-N 277.280 0.882 10 10 CCCE Nc1ccc(CC(=O)OCC2CS(=O)(=O)C2)cc1 722810918 SNADHCRCHCOQNI-UHFFFAOYSA-N 269.322 0.399 10 10 CCCE NC(=O)[C@@H]1CCC[C@@H]1NCc1cc2c(cc1O)OCO2 2174101898 BFGWYFWKOKAZPF-ZJUUUORDSA-N 278.308 0.865 10 10 CCCE CC[C@@H]1CN(CC(=O)N(C)c2ccc(N)cc2)C[C@@H]1O 399886006 HOLUGOPBMSTJHT-RISCZKNCSA-N 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COC(=O)[C@@H](NCCN=[N+]=[N-])c1cn2c(n1)COCC2 2166155138 KMIHKHFNMVZIGQ-JTQLQIEISA-N 280.288 0.527 10 10 CCCE CCN1CC[C@H](NC(=O)NCc2ccccc2O)C1=O 801798377 VSGKAHSGTRUFDQ-NSHDSACASA-N 277.324 0.812 10 10 CCCE CCN1CCc2cc([C@@H](NN)[C@@H]3COCCO3)ccc21 2163157168 ZEDIDJQGHWIKPO-LSDHHAIUSA-N 277.368 0.989 10 10 CCCE C[C@@]1(O)CCN(c2c(F)cc(CO)cc2F)C[C@H]1O 1893332863 VFPXNSKGIPWMNF-DGCLKSJQSA-N 273.279 0.779 10 10 CCCE Nc1ccc(CNS(=O)(=O)CCC(=O)O)cc1 42536534 ZIMJJVSWCUZOOS-UHFFFAOYSA-N 258.299 0.163 10 10 CCCE C[C@H](CS(C)(=O)=O)C(=O)NCc1c(O)cccc1F 928705856 OFDVXOKVAZREGE-MRVPVSSYSA-N 289.328 0.828 10 10 CCCE CCOC(=O)[C@@H](N)[C@H](OC)c1cc(O)c(O)c(OC)c1 1952536525 UXGFNRZYLWRQBQ-CMPLNLGQSA-N 285.296 0.684 10 10 CCCE C[C@H](O)[C@H](O)CNCc1ccc(N2CCOCC2)c(F)c1 865739891 XIDWNSYGTYCBNC-XHDPSFHLSA-N 298.358 0.494 10 10 CCCE N[C@@H](c1ccc(O)c(O)c1)c1nnc(-c2cc[nH]n2)o1 83536933 XZEYBZMINNIFLL-JTQLQIEISA-N 273.252 0.919 10 10 CCCE N[C@@H](c1nnc(-c2nc[nH]n2)o1)c1ccc(O)cc1O 83539910 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COc1cc(N2CCNC(=O)C[C@H]2C)ccc1CN 2139685481 FZVJOYVALJAKQX-SNVBAGLBSA-N 263.341 0.869 10 10 CCCE C[C@@H]1CO[C@@H](CO)CN1C(=O)CCOc1ccc(N)cc1 166933189 ZNTARTVEXHOCIJ-BXUZGUMPSA-N 294.351 0.646 10 10 CCCE C[C@@H]1CN(c2ccc3c(c2)OCO3)[C@@H](CO)C(=O)N1 251643882 JJBKHAZLEIQKFU-SCZZXKLOSA-N 264.281 0.101 10 10 CCCE CC1(OCC(=O)O)CN(C(=O)c2ccc(O)c(O)c2)C1 232808429 XBSKYAAUYGMCCU-UHFFFAOYSA-N 281.264 0.414 10 10 CCCE [N-]=[N+]=NC1CCN([C@@H]2CC(CO)(CO)C[C@@H]2O)CC1 2141454105 UOESAECIPMUAIB-MNOVXSKESA-N 270.333 0.255 10 10 CCCE Cc1nn(C)c(NC(=O)c2cccc(O)c2O)c1N 125974932 WGDMNIVLSVJYAN-UHFFFAOYSA-N 262.269 0.974 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CCO[C@H]2COCC[C@H]21 2143791257 WKWFGXNAHGXVFB-MFKMUULPSA-N 279.292 0.728 10 10 CCCE Nc1ccc(OCCC(=O)N2C[C@@H]3C[C@H](C2)N3)cc1 1876419595 HYWKGACUNVOFKL-TXEJJXNPSA-N 261.325 0.610 10 10 CCCE Nc1ccc(-n2ccc(C(=O)N3CC(N)C3)n2)cc1 1876457338 UXEGSGFZXVOSBU-UHFFFAOYSA-N 257.297 0.238 10 10 CCCE C[C@@H](N)c1cc(F)c(N2CC[C@@](O)(CO)C2)c(F)c1 1880923123 DRKFAXCGBAPICE-OQPBUACISA-N 272.295 0.918 10 10 CCCE CO[C@H]1[C@H](OC(C)=O)O[C@@H](C)[C@H](N=[N+]=[N-])[C@@H]1OC(C)=O 1775955078 ODLASXVOYXIJIR-DGAXWNTBSA-N 287.272 0.920 10 10 CCCE in-vitro O=C(N[C@H]1CN2CCC1CC2)c1ccc(O)c(O)c1 236585342 SJHJFGNIJRMNGR-NSHDSACASA-N 262.309 0.922 10 10 CCCE CO[C@H](CCNC(=O)Cc1ccc(O)c(O)c1)C(=O)O 2144017429 AQUDTEKBCABMIR-LLVKDONJSA-N 283.280 0.246 10 10 CCCE CC[C@@H](O)[C@@H](C)NC(=O)Cc1ccc(O)c(O)c1 1963185859 KMGSIKMTWMJLBN-PSASIEDQSA-N 253.298 0.916 10 10 CCCE CNCC[S@@](C)(=O)=NC(=O)Cc1ccc(N)cc1 1973691491 VBWOLWWJPGRJIL-GOSISDBHSA-N 269.370 0.655 10 10 CCCE Nc1ccc(CS(=O)(=O)NC[C@@H]2[C@@H]3CCOC[C@H]32)cc1 2150044757 FBIFYJMWNRFROC-BFHYXJOUSA-N 296.392 0.971 10 10 CCCE Nc1ccc(OCCN2C[C@]3(CO)C[C@]3(CO)C2)cc1 2146313680 LWFBJOOYSRVYNN-GASCZTMLSA-N 278.352 0.324 10 10 CCCE CN(CCO)C(=O)c1ccn(-c2ccc(N)cc2)n1 35427881 OAMCHTVHJKWGEV-UHFFFAOYSA-N 260.297 0.519 10 10 CCCE CC[C@@H](COC)OC(=O)[C@H](N)Cc1ccc(O)c(O)c1 2150930146 MDDSXDGJSNGMDQ-WDEREUQCSA-N 283.324 0.936 10 10 CCCE CS(=O)(=O)CC1CN(Cc2ccc(N)cc2)C1 1997186341 AFAZLOSCTMRQKK-UHFFFAOYSA-N 254.355 0.745 10 10 CCCE C[C@H](C(=O)O)C1CN(C(=O)Cc2ccc(N)cc2)C1 165332744 QVQGJVUDGGDQSS-VIFPVBQESA-N 262.309 0.990 10 10 CCCE Nc1ccc(CN2C(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2=O)cc1 2153253625 DFCYUOITPFBIBF-MPZDIEGVSA-N 272.304 0.931 10 10 CCCE C[C@@H]1C[C@H](CO)CN1C(=O)c1ccc(O)c(O)c1 2038880040 LLNBYNWCIFREMJ-BDAKNGLRSA-N 251.282 0.941 10 10 CCCE N[C@H](CNC(=O)c1cccc(O)c1O)C(F)(F)F 2029879225 YSCZNMJZLGHIOS-SSDOTTSWSA-N 264.203 0.717 10 10 CCCE CSC[C@H](NC(=O)c1ccc(O)c(O)c1)C(=O)O 2040041033 CAZXVIMAXUXAGS-ZETCQYMHSA-N 271.294 0.644 10 10 CCCE CNC(=O)C(C)(C)NC(=O)Nc1ccc(N)cc1 313214706 XHAMWRKQRFYUPZ-UHFFFAOYSA-N 250.302 0.915 10 10 CCCE C[C@@H]1CN(C)C[C@H](CNCc2ccc(O)cc2O)O1 700332227 OBDRJDYMEROTLN-MFKMUULPSA-N 266.341 0.907 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@H]2C[C@H]3C[C@H]2C[C@@H]3O)cc1 2160696348 LNBORYCXUDLDQI-UNJBNNCHSA-N 296.392 0.848 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@@H]1CO[C@H]2CNC[C@H]12 2160915321 UFEBAEZZMNVSRZ-BZPMIXESSA-N 276.336 0.585 10 10 CCCE NCc1ccc(N2C[C@@H](CO)[C@@H](CO)C2)c(Cl)c1 704699538 QOKPBNKGKHRYHL-PHIMTYICSA-N 270.760 0.836 10 10 CCCE C[C@H](CNC(=O)[C@@H]1CNc2ccccc2N1)S(C)(=O)=O 704907601 PBPRQUQDAKPYHA-SKDRFNHKSA-N 297.380 0.442 10 10 CCCE C[C@@H]1CN(c2ccc(CN)cc2)CCS1(=O)=O 707119346 WIGNZYXNTONYPG-SNVBAGLBSA-N 254.355 0.769 10 10 CCCE COCC(COC)S(=O)(=O)N1CCC[C@H](N=[N+]=[N-])C1 688550802 CEOYDCWSGBKZSY-VIFPVBQESA-N 292.361 0.752 10 10 CCCE O=C(N[C@]1(C(=O)O)CCCNC1)c1ccc(O)c(O)c1 711778898 DFHGEMQDZORRAC-CYBMUJFWSA-N 280.280 0.034 10 10 CCCE CO[C@H]1C[C@@H](CN)N(C(=O)c2ccc(O)c(O)c2)C1 381783944 YRNLULTWYURWNY-UWVGGRQHSA-N 266.297 0.286 10 10 CCCE C[C@H](NS(=O)(=O)Cc1ccc(N)cc1)[C@@H](C)O 386991035 FTAQSDICZQEZHL-DTWKUNHWSA-N 258.343 0.458 10 10 CCCE C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1)C(F)F 390068261 FNBRORAJKGBGEM-XPUUQOCRSA-N 274.267 0.737 10 10 CCCE CCS(=O)(=O)NCCN[C@@H](C)c1cc(O)ccc1O 390096515 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NC(=O)CN1CCN(c2ccc3c(c2)CC[C@@H]3O)CC1 2184740249 RAJMJLWIWRMVRI-AWEZNQCLSA-N 275.352 0.274 10 10 CCCE CCCNC1CN(C(=O)c2ccc(O)c(O)c2)C1 2052756504 FYQLIDTWOFEQJJ-UHFFFAOYSA-N 250.298 0.922 10 10 CCCE COCCCNC(=O)NCc1cc(N)ccc1O 2052899090 NZGCAENAWCMRMZ-UHFFFAOYSA-N 253.302 0.810 10 10 CCCE Nc1ccc(OCCS(=O)(=O)N2CCC(N)CC2)cc1 2191516333 GBJALYJBICVQTN-UHFFFAOYSA-N 299.396 0.401 10 10 CCCE Nc1ccc(NC(=O)N2C[C@H](N)CC[C@@H]2C(=O)O)cc1 2191536814 PZAOYCPGTLHBIZ-MWLCHTKSSA-N 278.312 0.677 10 10 CCCE Nc1ccc(CCC(=O)NCC[C@@H](O)CO)cc1 2061830406 SEYCNUYVGLXKJQ-GFCCVEGCSA-N 252.314 0.061 10 10 CCCE CO[C@@H]1C[C@@H](NCc2ccc(O)cc2O)C[C@@H]1O 2067190448 GLUKCFQCMADVAR-TVYUQYBPSA-N 253.298 0.726 10 10 CCCE CCC1(NC(=O)c2cc(O)c(O)c(O)c2)CNC1 2068623111 DADIBHXSWZBLET-UHFFFAOYSA-N 252.270 0.285 10 10 CCCE Oc1ccc(CN2CCN[C@@H]3COC[C@H]32)cc1O 2068830861 KLIYFCAYDKVTDF-GHMZBOCLSA-N 250.298 0.270 10 10 CCCE CC(C)(CN)NC(=O)CCOc1ccc(N)cc1 2071720959 KGCUKMISOOFYPS-UHFFFAOYSA-N 251.330 0.891 10 10 CCCE OCC(O)(CO)c1ccc(N2CCCCC2)cc1 2079009693 KFPWFPLFAXNWOS-UHFFFAOYSA-N 251.326 0.849 10 10 CCCE O=C(NC[C@]1(F)CCCNC1)c1cc(O)nc(O)c1 2101315528 WIXAAPAILRZAFD-LBPRGKRZSA-N 269.276 0.314 10 10 CCCE O=S(=O)(NCCNCc1ccc(O)c(O)c1)C(F)F 2103307572 OLHOEHIVGZKYQV-UHFFFAOYSA-N 296.295 0.329 10 10 CCCE COc1cc(N(C)[C@@H]2COC[C@@H]2O)ccc1CO 2084014790 XAGMWWPZDXKWCG-NEPJUHHUSA-N 253.298 0.383 10 10 CCCE CCS(=O)(=O)NCCNCc1c(O)cccc1OC 2104437854 KIZALTWRALKSQD-UHFFFAOYSA-N 288.369 0.430 10 10 CCCE NCc1ccc(N2C[C@H]3C[C@H]2[C@@H](O)[C@@H]3O)c(F)c1F 2104414944 NFVRGRSWGDDNCG-SEBFSPHVSA-N 270.279 0.354 10 10 CCCE Nc1ccc(OCC(=O)N[C@@H]2C[C@@H]3COC[C@H]32)cc1 2087577836 IDHKDDMEWSXRCV-OASPWFOLSA-N 262.309 0.799 10 10 CCCE Nc1ccc(CCC(=O)N2CC([C@H](F)CO)C2)cc1 2110595076 NKXMQGDDUOYWLF-CYBMUJFWSA-N 266.316 0.990 10 10 CCCE NC[C@H]1CC[S@@](=O)(=NC(=O)c2cc(O)nc(O)c2)C1 2098328960 FPCFSRKIUAOBGK-XJZHNMMOSA-N 285.325 0.080 10 10 CCCE CN(CCOc1ccc(N)cc1)CCn1cncn1 2113768226 BYNOGNNTVHFNAT-UHFFFAOYSA-N 261.329 0.871 10 10 CCCE COc1cc(N2CCN3C(=O)NC[C@@H]3C2)ccc1CN 2204554701 SUCYRYLKYNKGMA-GFCCVEGCSA-N 276.340 0.368 10 10 CCCE O[C@H]1CN(c2ccc(CNC3CCC3)cc2)C[C@H]1O 2231456066 FOOGMCHQCIEQNX-GASCZTMLSA-N 262.353 0.871 10 10 CCCE Cc1cc([C@H](C)N)ccc1N1C[C@H](O)[C@H](O)[C@H]1CF 2232026929 FVIIMJNUDJBVRY-GSVCSZOMSA-N 268.332 0.895 10 10 CCCE Cc1cc([C@@H](C)N)ccc1N1CCOC[C@@H]1C(N)=O 2232010583 BCACGJWPZXVOLO-ZWNOBZJWSA-N 263.341 0.705 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CC[C@H]2[C@H](C[C@H]2O)C1 2224583126 GHPPSVHZHNHRPB-JFGNBEQYSA-N 263.293 0.941 10 10 CCCE COc1ccc(N2CC(=O)N[C@@H]3CC[C@@H]32)c(C(=O)O)c1 2235954463 CGRQOCLOTIUBNV-PWSUYJOCSA-N 276.292 0.861 10 10 CCCE OCc1ccc(N2C[C@H]3C[C@H](O)[C@@H](O)C[C@H]3C2)c(F)c1 2236993199 AZQBYPIHZTWCAE-JLUCKKNBSA-N 281.327 0.886 10 10 CCCE COC[C@@H]1[C@@H](O)[C@@H](O)CN1c1ccc([C@H](C)O)cc1C 2240842102 OVDHQQSJBRTPKZ-OADPDTJPSA-N 281.352 0.605 10 10 CCCE N=C(N)c1cnc(Sc2nc(O)cc(O)n2)s1 2253258546 REIJQSCEZBEHCB-UHFFFAOYSA-N 269.311 0.780 10 10 CCCE CN(C)S(=O)(=O)[C@@H]1CCCN(CCN=[N+]=[N-])C1 2246463915 XTNHFDWNUXJNBO-SECBINFHSA-N 261.351 0.653 10 10 CCCE CCOC[C@@H](N)C(=O)NCc1cnc(SC)s1 2248594815 ZIVTTWIEFBTCCW-MRVPVSSYSA-N 275.399 0.845 10 10 CCCE CO[C@@H](CN)CC(=O)NCc1cnc(SC)s1 2248650926 KDPFRZJPAICIOF-SSDOTTSWSA-N 275.399 0.845 10 10 CCCE OC[C@@H]1CN(c2ccc3c(c2)CCC3)C[C@H](O)[C@H]1O 2273675575 WIJSVZCDRIDJOS-QEJZJMRPSA-N 263.337 0.326 10 10 CCCE CSc1ncc(CN=c2[nH]c(=N)nc3[nH][nH]cc2-3)s1 2269308792 ARVKTZDLUZCNLT-UHFFFAOYSA-N 293.381 0.929 10 10 CCCE CN[C@H](C)c1ccc(N2CC[C@H](O)[C@H](O)CC2)cc1O 2284537240 MOQPMGOLYRIKHJ-HONMWMINSA-N 280.368 0.995 10 10 CCCE COc1ccc(N2C[C@H](O)[C@H](O)[C@H](CO)C2)c(C)c1C 2289362916 QIGNRVWTWNWZGW-CORIIIEPSA-N 281.352 0.462 10 10 CCCE C[C@@H](N[C@@H]1C[C@H](O)C[C@H]1O)c1c(O)cccc1O 2309044381 XDOHDGGRHAIGCC-JXVAYASWSA-N 253.298 0.633 10 10 CCCE CN1CCN(C(=O)N2CC[C@@H](N=[N+]=[N-])C2)CC1=O 2320592600 OOGZZFKLPJHKJS-MRVPVSSYSA-N 252.278 0.265 10 10 CCCE CN(CC1(O)CC1)c1ccc2c(c1)N(C)C(=O)[C@@H]2O 2340252198 PLYUNWJBDCWLDC-GFCCVEGCSA-N 262.309 0.658 10 10 CCCE OC[C@H](O)CCCN1CCc2cc(O)c(O)cc2C1 2341191400 BFJOURLFNPIOJF-GFCCVEGCSA-N 267.325 0.589 10 10 CCCE COCCS(=O)(=O)N1CCc2cc(O)c(O)cc2C1 2341215682 BNMCJIZKPVGCIX-UHFFFAOYSA-N 287.337 0.432 10 10 CCCE COC[C@](CN)(C(=O)O)N(C)c1ccc(OC)cc1 2348556822 DZCULLBEXVOFCE-CYBMUJFWSA-N 268.313 0.560 10 10 CCCE Cn1ccc(-c2nc(=N)[nH]c3cnn(C)c23)cc1=O 2352884869 HIBCOPJYSJZERB-UHFFFAOYSA-N 256.269 0.142 10 10 CCCE NCc1cc(F)c(N2[C@H]3CC[C@@H]2C[C@@H](O)[C@@H]3O)c(F)c1 2357055525 WHBFXFJUWZHEIF-MPNPMHGUSA-N 284.306 0.886 10 10 CCCE NC[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)COc1ccc(N)cc1 2357174425 FADLMQUBFXJTRQ-SUHUHFCYSA-N 275.352 0.986 10 10 CCCE CCN1CCO[C@H](COC(=O)COc2ccc(N)cc2)C1 92060885 RLHXBWNJTVXHGB-AWEZNQCLSA-N 294.351 0.912 10 10 CCCE CCOC(=O)[C@H]1CNCCN1[C@H](C)c1cc(O)ccc1O 250674140 OJMNEVCKCBMHCB-ZWNOBZJWSA-N 294.351 0.996 10 10 CCCE Cc1ccc(C(=O)N2CCN3CCOC[C@H]3C2)c(O)c1O 371869618 JBDDQEWLDKIFJL-LLVKDONJSA-N 292.335 0.563 10 10 CCCE CCn1nnc(CNCc2ccc3c(c2)CCO3)n1 1893034421 NOZOORZLRUEFJL-UHFFFAOYSA-N 259.313 0.918 10 10 CCCE CN1C(=O)C(=Cc2cn(C)nc2Cl)C(=O)N(C)C1=O 856720807 SOKZYXDJLFQRNR-UHFFFAOYSA-N 282.687 0.507 10 10 CCCE Cc1ccc(C(=O)N[C@@H]2CCNC(=O)CC2)c(O)c1O 854955865 CIHCBZVGMILIDE-VIFPVBQESA-N 278.308 0.805 10 10 CCCE COc1cccc(CNC[C@]2(OCCO)CCOC2)c1O 850357970 DFXHBWBZEJTHKH-OAHLLOKOSA-N 297.351 0.658 10 10 CCCE CC(=O)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)CC1=O 1952685203 ADBSVHOZWVPUFV-SECBINFHSA-N 269.297 0.971 10 10 CCCE CN1CCC2(CC1)NC(=O)N(Cc1ccc(N)cc1)C2=O 57848800 YHTMLTGVKVOHDN-UHFFFAOYSA-N 288.351 0.785 10 10 CCCE N[C@H](Cc1ccc(O)c(O)c1)c1nn2cnnc2s1 132753166 DXPGIOHFYOKNHV-SSDOTTSWSA-N 277.309 0.840 10 10 CCCE CN(C)CCCNC(=O)[C@H](N)c1cccc(O)c1O 83495177 ZFBUBMFUAFRLRN-LLVKDONJSA-N 267.329 0.166 10 10 CCCE COC(=O)[C@]1(O)CCN(Cc2cccc(C)c2O)C1 895703316 KZZCQVNJMCJIEL-AWEZNQCLSA-N 265.309 0.810 10 10 CCCE COCCOC[C@@H]1NCCc2c1cc(O)c(O)c2O 75819628 HCSSKVMCFVFBLC-JTQLQIEISA-N 269.297 0.653 10 10 CCCE C[C@H](CO)CN(C)c1cc2c(cc1F)[C@@H](O)C(=O)N2 688700242 POWQZNTYGUCSOH-JVXZTZIISA-N 268.288 0.876 10 10 CCCE C[C@@H](CO)CNS(=O)(=O)CCOc1ccc(N)cc1 86626234 IFNWQLSDMNPEQU-SNVBAGLBSA-N 288.369 0.195 10 10 CCCE O=C(O)C[C@H](NC(=O)c1cc(O)nc(O)c1)C(F)(F)F 698772104 IBJQOYZGAIHUBX-YFKPBYRVSA-N 294.185 0.628 10 10 CCCE Nc1ccc(N2C(=O)N[C@@H]3CCOC[C@H]3C2=O)cc1 2119534855 RUHXWCSAZNOIHY-GHMZBOCLSA-N 261.281 0.730 10 10 CCCE CC(C)(O)[C@@H](NC(=O)c1cccc(O)c1O)C(=O)O 2131483929 PDBHNMRGNUJHLP-VIFPVBQESA-N 269.253 0.052 10 10 CCCE O=[N+]([O-])c1cc(CO)ccc1N1CC[C@H](O)[C@H](O)C1 2132178845 VDVKGTFLEBBAMZ-NWDGAFQWSA-N 268.269 0.019 10 10 CCCE C[C@H](O)C[C@H](C)CNC(=O)c1cc(O)c(O)c(O)c1 2132348487 MMWSRCAZIHOTMO-YUMQZZPRSA-N 269.297 0.940 10 10 CCCE COC(=O)[C@@H](C)S(=O)(=O)N1CCC(CN=[N+]=[N-])CC1 1912210679 MMWGHQZARWLRLX-MRVPVSSYSA-N 290.345 0.900 10 10 CCCE C[C@H](O)[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)C1CC1 2132402868 FXWORAQPYPWGMA-UPONEAKYSA-N 267.281 0.693 10 10 CCCE O=C(N[C@@H]1[C@H]2CCOC[C@@H]21)c1cc(O)c(O)c(O)c1 2132417887 GICOHSNOGXFFOY-DKCNOQQISA-N 265.265 0.568 10 10 CCCE CC(C)[C@@H](N)[C@@H](C)NC(=O)c1cc(O)c(O)c(O)c1 2132403233 IMGJBNXJTUGZNO-RDDDGLTNSA-N 268.313 0.905 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3C[C@@H]4C[C@H]4[C@@H]3CO)ccc21 1905554405 BQOCDGXBYOSXOK-SLTJONPZSA-N 259.309 0.456 10 10 CCCE C[C@H](C(=O)NC(N)=O)N1CCCC[C@H](CN=[N+]=[N-])C1 1912198616 IXQGWFUVIPAVHI-RKDXNWHRSA-N 268.321 0.982 10 10 CCCE [N-]=[N+]=N[C@@H]1CCN(CC(=O)NCCCC(=O)O)C1 1912193390 NWCIWYRNILSHMM-MRVPVSSYSA-N 255.278 0.352 10 10 CCCE COc1ccc(N2CCNC(=O)[C@H]2CCO)cc1 214566537 NRBURWSEXIYUTQ-GFCCVEGCSA-N 250.298 0.382 10 10 CCCE COc1cc2c(cc1OC)N(C)[C@@H](CN)CN2C 214995946 UEHUMJKJTIDXSL-VIFPVBQESA-N 251.330 0.917 10 10 CCCE CN1CCO[C@@H](CNC(=O)c2ccc(O)c(O)c2)C1 226985796 APJODXJKHSWHMY-JTQLQIEISA-N 266.297 0.158 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC[C@@H]2CC[C@H]21 1924057197 OWYOBUCKEYZDBW-SDDRHHMPSA-N 276.336 0.979 10 10 CCCE O=C(NCc1cc(O)ccc1O)c1cnc2n1CCOC2 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CC1(C)C[C@@H](N)C[C@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)O1 1880083645 ULLWHHHEILDEIY-QFOLPQNPSA-N 268.357 0.537 10 10 CCCE C[C@@H](c1ccccc1O)N(C)S(=O)(=O)CC1CNC1 1880173223 YYFUOHSBMPDHAK-JTQLQIEISA-N 284.381 0.934 10 10 CCCE O=C(N[C@]12CCOC[C@H]1C2)c1cc(O)c(O)c(O)c1 1880170798 BZTFFDSFKAEURY-OQPBUACISA-N 265.265 0.712 10 10 CCCE C[C@@H](O)c1cc(F)c(N2C[C@@H](CO)[C@@H](O)C2)c(F)c1 1880482876 SSTCFMDOMSPQQG-FDOIEUKUSA-N 273.279 0.808 10 10 CCCE COC(=O)[C@@H](C)CS(=O)(=O)NCCCN=[N+]=[N-] 1963988427 SIYREOIFLZUOSU-ZETCQYMHSA-N 264.307 0.415 10 10 CCCE Nc1ccc(CS(=O)(=O)NCc2cc(=O)cc[nH]2)cc1 2144610586 DASWPUZBDJXLGB-UHFFFAOYSA-N 293.348 0.577 10 10 CCCE Nc1ccc(CC(=O)N[C@@H]2C[C@H]3C[C@H]2[C@H](O)[C@@H]3O)cc1 1974157772 ONUVGCGTFFKMAK-SYZWTGEBSA-N 276.336 0.058 10 10 CCCE COc1cc(C(=O)O)cc([C@@H](N)CC(=O)O)c1O 258379702 LRYPZDBAMACNAM-ZETCQYMHSA-N 255.226 0.574 10 10 CCCE CN[C@H](c1cnn(C)n1)[C@H](O)c1ccc(N(C)C)cc1 2148357279 FSFQAFYYZROQRY-ZIAGYGMSSA-N 275.356 0.875 10 10 CCCE Nc1ccc(OCCC(=O)N[C@H]2COC[C@@H]2CO)cc1 2146498290 LCJAATJAKIVRJI-GWCFXTLKSA-N 280.324 0.161 10 10 CCCE Nc1ccc(CC(=O)N[C@@H]2CCc3nncn3C2)cc1 2159984000 IYVHHRJOGMLKOU-GFCCVEGCSA-N 271.324 0.534 10 10 CCCE NCc1ccc(N2C[C@@H]3OCCO[C@H]3C2)cc1F 2032410048 BWYWLTAPJSXMSA-STQMWFEESA-N 252.289 0.888 10 10 CCCE Nc1ccc(NC(=O)CCCN2CCNS2(=O)=O)cc1 308379792 MSHFOFACKZMUEZ-UHFFFAOYSA-N 298.368 0.138 10 10 CCCE C[C@H](N)c1ccc(N2CCN3C[C@@H](O)C[C@@H]3C2)cc1 405320455 RFFUEQWOFQHDET-GLQYFDAESA-N 261.369 0.962 10 10 CCCE COc1cccc(O)c1CN1C[C@H]2CS(=O)(=O)C[C@@H]2C1 2160737126 VPHQICXPGDRJAD-QWRGUYRKSA-N 297.376 0.877 10 10 CCCE CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](N)C1COC1 2161176005 IWRNXWRJQFHTNT-AWEZNQCLSA-N 277.368 0.685 10 10 CCCE O=C(N[C@H]1CCO[C@@H]1C(=O)O)c1cccc(O)c1O 702963070 LFZVIKOWZFVQGE-XVKPBYJWSA-N 267.237 0.070 10 10 CCCE NCc1cc(F)c(N2C[C@H](CO)[C@@H](CO)C2)c(F)c1 704701694 HVEKSKBPUAYQAU-NXEZZACHSA-N 272.295 0.461 10 10 CCCE Cn1cnnc1COC(=O)CCOc1ccc(N)cc1 708361356 BXNIDYPIPZMMAS-UHFFFAOYSA-N 276.296 0.910 10 10 CCCE CN(C)C[C@H](O)COC(=O)COc1ccc(N)cc1 388409039 HGZSQYPDPFNCMP-NSHDSACASA-N 268.313 0.113 10 10 CCCE COC1(C)CN(C(=O)COc2ccc(N)cc2)C1 382970596 ILFXJPIGWSANIV-UHFFFAOYSA-N 250.298 0.895 10 10 CCCE O=S(=O)(C[C@H]1CNCCO1)Nc1ccc(O)cc1 722212171 BCHFRNSMPDKUQW-LLVKDONJSA-N 272.326 0.122 10 10 CCCE CN1C[C@H](NCc2cc(Cl)ccc2O)C(=O)N1 393901625 MWSLAMNVCRMFJK-VIFPVBQESA-N 255.705 0.480 10 10 CCCE C[C@@H](O)[C@@H](C)NS(=O)(=O)CCOc1ccc(N)cc1 395773006 RLDDUNWQQPXUCE-NXEZZACHSA-N 288.369 0.336 10 10 CCCE C[C@]1(NC(=O)Cc2ccc(N)cc2)CCC(=O)NC1=O 2172845319 CWGUILGIWSFIMO-AWEZNQCLSA-N 275.308 0.123 10 10 CCCE N[C@H]1CCOC[C@@H]1C(=O)NCCc1ccc(O)c(O)c1 2176118318 QWZMUXKNCYXVJG-QWRGUYRKSA-N 280.324 0.120 10 10 CCCE NCCO[C@@H]1CCCN(C(=O)c2cccc(O)c2O)C1 2170217253 YYXGZSDHOGALFZ-SNVBAGLBSA-N 280.324 0.678 10 10 CCCE C[C@@H](C(=O)O)N1CC(N[C@H](C)c2c(O)cccc2O)C1 2188305627 WZUZUSPKBXBHIV-BDAKNGLRSA-N 280.324 0.906 10 10 CCCE C[C@@]12CN(C(=O)c3cc(O)c(O)c(O)c3)C[C@@]1(CO)C2 2188868467 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COC(=O)c1cccc(N)c1N[C@H]1COC[C@H]1CO 2108746812 NCQAMHMABPFGDI-KCJUWKMLSA-N 266.297 0.475 10 10 CCCE CO[C@H]1C[C@@H](O)CN(C(=O)c2cccc(O)c2O)C1 2109027228 HQKXIYJXHUUDDO-BDAKNGLRSA-N 267.281 0.320 10 10 CCCE CCCOc1ccc(N2CC(NC)(C(N)=O)C2)cc1 2109481418 NDYYNFKGMFZWAA-UHFFFAOYSA-N 263.341 0.739 10 10 CCCE NCc1ccc(N2CCOC[C@@H]2[C@H](O)CO)c(Cl)c1 2090135868 KUYLSZHDMBMITP-CHWSQXEVSA-N 286.759 0.357 10 10 CCCE COc1cc(C(=O)N[C@H](C)C[C@@H](C)O)cc(OC)n1 2110633864 DMSPDKMDZKJUHT-RKDXNWHRSA-N 268.313 0.988 10 10 CCCE O=C(NC[C@H]1COCCCO1)c1cccc(O)c1O 2097715323 WQLJUAGUBIDZCH-VIFPVBQESA-N 267.281 0.633 10 10 CCCE C[C@@H](N)c1ccc(N2CCOC[C@H](CO)C2)cc1O 2098206371 CEYDZKSPHWGHQB-MNOVXSKESA-N 266.341 0.857 10 10 CCCE Nc1ccc(OCCN2CCn3ncnc3C2)cc1 2114034730 QEDNXJGEKKUZFN-UHFFFAOYSA-N 259.313 0.755 10 10 CCCE COC(=O)[C@@](C)(NCCCN=[N+]=[N-])[C@H](C)S(C)(=O)=O 2114219488 JPEASJYXHFVYRM-WPRPVWTQSA-N 292.361 0.641 10 10 CCCE Nc1ccc(OCCCN2CC[C@H](O)C[C@H]2CO)cc1 2200827540 FVCUTTQYSNSXAE-KBPBESRZSA-N 280.368 0.855 10 10 CCCE Cc1cccc(CNS(=O)(=O)C[C@@H]2CNC[C@H]2C)c1O 2204626474 VPCLYURFWROSIY-YPMHNXCESA-N 298.408 0.976 10 10 CCCE COc1ccc(N2CC([C@@H](F)CO)C2)c(CN)c1 2220416738 DMNILRWXXNAHJF-LBPRGKRZSA-N 254.305 0.921 10 10 CCCE CC[C@H](O)c1ccc(N2C[C@H](O)[C@H](O)[C@@H]2COC)cc1 2233878578 HWTJAMMBXBRANN-ZQDZILKHSA-N 281.352 0.687 10 10 CCCE COc1cc(N2CC(CO)(CO)C2)cc(OC)c1OC 2235131476 LDWOYOGUEHOWLI-UHFFFAOYSA-N 283.324 0.503 10 10 CCCE COc1ccc(N2CC[C@H]2[C@@H](O)CO)c(C=O)c1 2258326909 UCRAFGGBLWCDRX-STQMWFEESA-N 251.282 0.440 10 10 CCCE CSc1ncc(CNC(=O)C[C@@H](N)C(=O)O)s1 2248601414 MILRGIWUSLQPRK-ZCFIWIBFSA-N 275.355 0.283 10 10 CCCE C[C@H](CF)N(C)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 2270254223 QTANQBSGKYRWOX-SCZZXKLOSA-N 270.304 0.784 10 10 CCCE O=C(O)[C@@]12CO[C@@H](C1)[C@H](NCc1ccc(O)cc1O)C2 2280797830 DASOWOVWVIQVSB-SCDSUCTJSA-N 279.292 0.820 10 10 CCCE CN(CC(F)(F)C(=O)O)C(=O)c1cc(O)c(O)c(O)c1 2295290270 SDKGCDQBJPTAHZ-UHFFFAOYSA-N 291.206 0.595 10 10 CCCE Nc1ccc(CC(=O)N2C[C@@H]3OCC[C@]3(CO)C2)cc1 2296432361 AXPULOSGLIOBAE-DZGCQCFKSA-N 276.336 0.421 10 10 CCCE CCS(=O)(=O)N1CCN(CCc2ccc(N)cc2)CC1 19680503 YGUGEZKJELKNAD-UHFFFAOYSA-N 297.424 0.779 10 10 CCCE CN(Cc1ccccc1O)[C@@]1(C(=O)O)CCNC1 2321798391 SITYJVFXNVGJNX-ZDUSSCGKSA-N 250.298 0.641 10 10 CCCE NC(=O)c1cccc(N)c1N[C@H]1C[C@H](CO)[C@@H]2C[C@H]12 2329874677 CATUAEAUGFOYNC-NKIYYHGXSA-N 261.325 0.797 10 10 CCCE O=C(c1cccc(O)c1O)N1C[C@H]2C[C@H](CO)[C@H]2C1 2330490539 OEPBTCUHJVBPGF-KKZNHRDASA-N 263.293 0.798 10 10 CCCE Cc1cc(CN)ccc1N1CC[C@@H]2C[C@H]1[C@H](O)[C@H]2O 2332599293 OSVSYWQNRDBBFN-UNQGMJICSA-N 262.353 0.774 10 10 CCCE O=C(O)[C@H]1[C@@H]2CC[C@@H]2CN1C(=O)c1cc(O)nc(O)c1 2354240220 QXNXVEUQLLQYKI-AZTOOPQRSA-N 278.264 0.428 10 10 CCCE Nc1ccc(OCC(=O)N[C@H]2C[C@H](CO)[C@@H]3C[C@H]23)cc1 2354928812 UBJJVTAQMQZPHH-HYNSBDGHSA-N 276.336 0.781 10 10 CCCE Oc1ccc(CNC[C@@H]2C[C@@H]3C[C@H]2[C@H](O)[C@@H]3O)c(O)c1 2355458653 AQOZUCUTAPGYOY-CFEZUGBKSA-N 279.336 0.565 10 10 CCCE CCN1CCN(C(=O)c2cc(O)nc(O)c2)CC1 170223433 VNMUDUDOCHBGIT-UHFFFAOYSA-N 251.286 0.271 10 10 CCCE O=C1Nc2cc(N3C[C@H]4C[C@H]4[C@H]3CO)c(F)cc2[C@H]1O 2357563779 YARPBWDLQGRUSG-DANUVHOZSA-N 278.283 0.628 10 10 CCCE CC1(C)[C@@H](N)C[C@@H]1NC(=O)c1cccc(O)c1O 130610308 WXJMVBJFNGATSG-UWVGGRQHSA-N 250.298 0.953 10 10 CCCE COc1ccc(N2CCN(C[C@H](N)CO)CC2)cc1 85215934 PRRNIEATVKUFKY-LBPRGKRZSA-N 265.357 0.137 10 10 CCCE O=C1CC[C@H](NCc2cc(F)ccc2O)C(=O)N1 236561080 GRHKGDHDSIOOLO-VIFPVBQESA-N 252.245 0.426 10 10 CCCE C[C@@H](O)[C@@H](N)c1nc(-c2ccc(O)c(O)c2)no1 235225976 HYKBEQUBMYKQQM-MLUIRONXSA-N 251.242 0.528 10 10 CCCE CCOCCCC(=O)N(CC(N)=O)Cc1ccc(N)cc1 95033830 GTDGBAIRYJTHGF-UHFFFAOYSA-N 293.367 0.899 10 10 CCCE CN(C)c1ccc(CNC(=O)CC(N)=O)cc1F 265792817 ISAACODJKYCFGR-UHFFFAOYSA-N 253.277 0.383 10 10 CCCE COc1c(C(=O)OCC(=O)C(C)=O)cccc1[N+](=O)[O-] 808546942 DUFVOEMPBOHUJB-UHFFFAOYSA-N 281.220 0.918 10 10 CCCE CCCC(=O)N1CCCC[C@H]1C(=O)OCC(=O)C(C)=O 808507176 BVGZFTAJJDBQSW-NSHDSACASA-N 283.324 0.869 10 10 CCCE CN(c1cc2c(cc1Cl)[C@@H](N)C(=O)N2)[C@@H]1COC[C@H]1O 709474961 DWQJRXXDOYKZKW-IJLUTSLNSA-N 297.742 0.488 10 10 CCCE NC(=O)C1CN(c2cc3c(cc2Cl)[C@@H](N)C(=O)N3)C1 723167357 ODVCOIXCBSMFJE-SNVBAGLBSA-N 280.715 0.213 10 10 CCCE COc1ccc(N(C)CCN(C)C(=O)CC(N)=O)cc1 846447080 QHHCRDSFLYOOMR-UHFFFAOYSA-N 279.340 0.465 10 10 CCCE CN(C(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(N)cc1 1893237591 QEZRIWNTTCBXPS-SNVBAGLBSA-N 283.353 0.602 10 10 CCCE COC(=O)[C@@]1(c2ccc(O)c(CN(C)C)c2)C[C@@H]1N 1952905601 GIUNTBIWBWRNQM-GXTWGEPZSA-N 264.325 0.596 10 10 CCCE CCO[C@H]1CS(=O)(=O)C[C@@H]1N(C)c1ccc(N)cc1 697076559 SVTRBZRXYDUUHP-STQMWFEESA-N 284.381 0.907 10 10 CCCE CC(=O)C(=O)COc1cnn(C)c1C(F)(F)F 1118480096 UARVPUDELRNBSV-UHFFFAOYSA-N 250.176 0.976 10 10 CCCE CCN(CC)CCNC(=O)[C@H](N)c1ccccc1O 83482333 DEZKPVIMKNOABD-CYBMUJFWSA-N 265.357 0.850 10 10 CCCE CS(=O)(=O)C1CC(NCc2ccc(O)c(O)c2)C1 715272040 AYFOWJPVBVKMHT-UHFFFAOYSA-N 271.338 0.763 10 10 CCCE Nc1ccc(CC(=O)N[C@H]2COC[C@@H]2C(=O)O)cc1 90366360 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C[C@H](N)c1cc(F)c(N2CCOC[C@@H]2C(N)=O)c(F)c1 2194700761 WDDWTWBYFRWFHH-WRWORJQWSA-N 285.294 0.675 10 10 CCCE CCNC(=O)[C@@H]1CNCCN1c1ccc(OC)cc1N 2191548635 ZAFWMVAOGVBMQJ-ZDUSSCGKSA-N 278.356 0.192 10 10 CCCE COc1cc(N)c(N2CCN[C@@H](CCO)C2)cc1OC 2191571096 BOESUPXQPBRQQT-JTQLQIEISA-N 281.356 0.447 10 10 CCCE Nc1ccc(OCCC(=O)N[C@@H]2C[C@H]3NCC[C@H]32)cc1 2191669574 CZNBQKQIAIVYFZ-MGPQQGTHSA-N 275.352 0.904 10 10 CCCE Nc1ccc(CCC(=O)N2CCN[C@@H]3COC[C@H]32)cc1 2191897770 FTPZEMZYHNSHFI-ZIAGYGMSSA-N 275.352 0.401 10 10 CCCE Nc1ccc(OCC(=O)NCC2(F)CNC2)cc1 2071732180 XFPOEGRKHGPORG-UHFFFAOYSA-N 253.277 0.075 10 10 CCCE COCC1(COC(=O)COc2ccc(N)cc2)COC1 2199419838 JWODMUTYCAGTHN-UHFFFAOYSA-N 281.308 0.854 10 10 CCCE Nc1cncc(CNC(=O)Cc2ccc(O)c(O)c2)c1 2201641819 JFGOQZSPMRIYSP-UHFFFAOYSA-N 273.292 0.934 10 10 CCCE NC(=O)C1[C@@H]2CN(c3ccc(CO)cc3F)C[C@@H]12 2081418748 OPSSCALXLSSPTI-RKDXNWHRSA-N 250.273 0.486 10 10 CCCE COC[C@@](O)(CO)CNCc1ccc(F)c(F)c1O 2102403141 ZJJMRHXBSRYRNA-LBPRGKRZSA-N 277.267 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O=C(N[C@H](Cc1ccc(O)c(O)c1)C(=O)O)C(F)F 236445838 VXJHQZDWUKEQHE-ZCFIWIBFSA-N 275.207 0.475 10 10 CCCE CNC(=O)[C@@H]1CNCCN1[C@H](C)c1cc(OC)ccc1O 251703499 OHKRHKDYDHSLGR-MFKMUULPSA-N 293.367 0.482 10 10 CCCE CNC(=O)[C@H]1CCCN1c1ccc2c(c1)NC(=O)[C@H]2N 723185018 FYANGOGMNGMEBH-NEPJUHHUSA-N 274.324 0.353 10 10 CCCE O=C(NC[C@H]1C[C@@H]2COC[C@@H]2O1)c1cccc(O)c1O 724564241 RORZPOXLGRVIFC-LNLATYFQSA-N 279.292 0.632 10 10 CCCE CN(C)Cc1cc(CC[C@H](O)C(=O)O)ccc1O 1951987735 NPKZSTMBCKTVCX-LBPRGKRZSA-N 253.298 0.832 10 10 CCCE COC(=O)[C@@H](C)S(=O)(=O)NCc1ccc(N)cc1 42536821 IZZSWNVHHWXOAY-MRVPVSSYSA-N 272.326 0.250 10 10 CCCE COc1ccc(N2CCC(NC[C@H](O)[C@H](C)O)CC2)cc1 865739367 VDCWPDJKISILNC-LRDDRELGSA-N 294.395 0.995 10 10 CCCE Cc1ccc(O)c([C@@H](N)c2nnc(CC(=O)O)o2)c1 83458166 XLZRBEMPFQZDQA-LLVKDONJSA-N 263.253 0.759 10 10 CCCE CN(CCC(=O)O)c1ccc2c(c1)N(C)C(=O)CO2 71673247 ZLKMRIJJCNUWCC-UHFFFAOYSA-N 264.281 0.953 10 10 CCCE Oc1cc2c(c(O)c1O)CCN[C@H]2c1cnccn1 75819540 AGKXXPGOVFQVLU-LLVKDONJSA-N 259.265 0.829 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CCS(=O)CC3)ccc21 103386289 YLPXTEUKRFNGBX-NSHDSACASA-N 265.338 0.207 10 10 CCCE CN(C)c1ccc(CNC(=O)[C@@H]2CNCCOC2)cc1 700527303 IXMIRVAPSLZUAU-CYBMUJFWSA-N 277.368 0.605 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)Cn1nc(O)ccc1=O 701264414 UTFMUYJYMIVCPK-QMMMGPOBSA-N 278.272 0.250 10 10 CCCE Nc1ccc(NC(=O)CS(=O)(=O)[C@@H]2CCOC2)cc1 703092996 ORHODCYAHLBILM-LLVKDONJSA-N 284.337 0.411 10 10 CCCE Cc1ncc(S(=O)(=O)NCCc2ccc(N)cc2)[nH]1 70418418 LRYXGFZBVSDVLV-UHFFFAOYSA-N 280.353 0.821 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CCC[C@@H](NCCO)C1 708560740 PWEQQDDUZNZUFL-LLVKDONJSA-N 280.324 0.284 10 10 CCCE O=C(N[C@H](CO)c1ccccn1)c1cccc(O)c1O 1141419844 JXHDRNIELQVJFF-LLVKDONJSA-N 274.276 0.956 10 10 CCCE CN(C)c1ccc(CNC(=O)[C@]2(C)COC[C@@H]2N)cc1 90598327 YNPNJRUODHZLHE-DZGCQCFKSA-N 277.368 0.733 10 10 CCCE NCc1ccc(N2C[C@@H]3C[C@H](C2)[C@@H](O)[C@@H]3O)cc1Cl 2126162438 SIFVDEVCGSYEBZ-RDBQEKCUSA-N 282.771 0.977 10 10 CCCE O=C1N[C@H]2CN(c3c(F)cc(CO)cc3F)C[C@H]2O1 2120414400 ATWOQRPSQZZLPO-VHSXEESVSA-N 270.235 0.754 10 10 CCCE NC(=O)[C@@H]1COCCN1c1ccc2c(c1)CC[C@H]2O 2128325467 SVGHOXXHANFYGF-QWHCGFSZSA-N 262.309 0.357 10 10 CCCE COc1ccc(CN2CCN[C@H]3COC[C@H]32)c(O)c1 2132558441 FTUVJZBLXWHJGD-QWHCGFSZSA-N 264.325 0.573 10 10 CCCE CCN(C)C(=O)CNC(=O)c1cc(O)c(O)c(O)c1 2132350745 QARPMLOGHKKIHT-UHFFFAOYSA-N 268.269 0.012 10 10 CCCE Nc1ccc(OCCn2cc(F)c(=O)[nH]c2=O)cc1 104154096 PYFVWMLAEXELBX-UHFFFAOYSA-N 265.244 0.337 10 10 CCCE COC(=O)[C@@H](NCCN=[N+]=[N-])c1cnc(C)nc1 1912173333 LIJNBUXVLXSOKE-VIFPVBQESA-N 250.262 0.899 10 10 CCCE COC(=O)[C@@]1(NCCN=[N+]=[N-])CCO[C@@]12CCOC2 1912147112 WIKDCBPODHKFGN-MNOVXSKESA-N 270.289 0.378 10 10 CCCE CCCNC(=O)NC(=O)CN1CCC[C@@H](N=[N+]=[N-])C1 1912184086 CAVQTYQVNLMUHA-SECBINFHSA-N 268.321 0.997 10 10 CCCE [N-]=[N+]=NCCN[C@@]1(C(=O)O)CCOC12CCOCC2 1912208297 SEOVGJIGWKJJHB-LLVKDONJSA-N 270.289 0.679 10 10 CCCE C[C@@H](O)c1ccc(N2CC(CO)(CO)C2)c([N+](=O)[O-])c1 1914980296 SKYODURNJULEKA-SECBINFHSA-N 282.296 0.439 10 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0.328 10 10 CCCE Oc1ccc(-c2noc([C@H]3COCCN3)n2)cc1O 236581813 VRYNNVNBHAKRCS-MRVPVSSYSA-N 263.253 0.809 10 10 CCCE COC(=O)NCCCNC(=O)Cc1ccc(N)cc1 1875637347 LZPQUVMBUUPHOI-UHFFFAOYSA-N 265.313 0.674 10 10 CCCE COc1cc(N)c(N2C[C@@H]3CNC[C@@H]3C2)cc1OC 1876307627 SRKJBIULDVNGEQ-AOOOYVTPSA-N 263.341 0.942 10 10 CCCE Nc1ccc(CCC(=O)N2C[C@H]3CNC[C@@H]3C2)cc1 1876456841 QPZTWWGFZLEFND-CHWSQXEVSA-N 259.353 0.879 10 10 CCCE Nc1ccc(CCC(=O)NCCC2(O)CNC2)cc1 1876522019 VRENMZRZSWYGPJ-UHFFFAOYSA-N 263.341 0.042 10 10 CCCE NC(=O)Cn1cc(NCc2ccc(O)c(O)c2O)cn1 236178894 WXYHAAUYGYGQAG-UHFFFAOYSA-N 278.268 0.097 10 10 CCCE COc1cccc(O)c1CN1C[C@H](N)C[C@@H](O)C1 1971888207 GFRPWULOHYBQTB-NXEZZACHSA-N 252.314 0.295 10 10 CCCE CCNCc1ccc(N2CCOC[C@@H]2[C@@H](O)CO)cc1 2146334653 PISBALCBRXSLPT-CABCVRRESA-N 280.368 0.355 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC[C@@H]2CC[C@@]21C(=O)O 2146651427 VVLWITFFPGHYSE-SDBXPKJASA-N 278.264 0.572 10 10 CCCE Nc1ccc(N2CCN(S(=O)(=O)N3CCC3)CC2)cc1 2149333122 ZOWRDWTWIHZULW-UHFFFAOYSA-N 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266.297 0.380 10 10 CCCE COCCn1cnnc1[C@@H](N)Cc1ccc(O)c(O)c1 54525980 KDFFROXRNPBIBA-JTQLQIEISA-N 278.312 0.578 10 10 CCCE CN(C(=O)c1ccc(=O)n(C)n1)c1ccc(N)cc1 702077532 RGTJNRSNGFRRPQ-UHFFFAOYSA-N 258.281 0.639 10 10 CCCE CC(C)(C(=O)NCc1cc(N)ccc1O)S(C)(=O)=O 70127373 NXZYDALKYSAWRF-UHFFFAOYSA-N 286.353 0.414 10 10 CCCE O=C(O)C[C@@H](CNC(=O)c1cc(O)nc(O)c1)C1CC1 690447180 XFGCSYJGLRHKBN-VIFPVBQESA-N 280.280 0.724 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1C[C@@H]2C[C@H]1C[S@@]2=O 1144645105 JPEPXBABSUNTQK-GJPGNPISSA-N 281.333 0.372 10 10 CCCE O=C(NCc1ccccc1O)c1ccc2nn[nH]c2n1 1150536084 JGGZBMFGEPOYGY-UHFFFAOYSA-N 269.264 0.989 10 10 CCCE CC(=O)N[C@@H]1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 1162409793 BHCWFGZQACZTSQ-KTLBGCOUSA-N 290.319 0.848 10 10 CCCE CC[C@H](N)c1ccc(N2CC3(CNC(=O)N3)C2)cc1 2121208551 HYUBICJLLGKICM-LBPRGKRZSA-N 260.341 0.968 10 10 CCCE Cc1cc(N2C[C@@H]3OC[C@@H](CO)[C@@H]3C2)ccc1CO 2121592597 MWFZDJJGXLSUBB-SNPRPXQTSA-N 263.337 0.931 10 10 CCCE NC(=O)[C@H]1OCC[C@H]1Nc1c(N)cccc1C(=O)O 2117473959 VODARACXBKRUCE-SCZZXKLOSA-N 265.269 0.022 10 10 CCCE [N-]=[N+]=NCCCN1CCC[C@H]1C(=O)N1CCNCC1 2117999306 LMPCWNOPTXQOGW-NSHDSACASA-N 266.349 0.583 10 10 CCCE Cc1nnc(O)n(CCCc2ccc(N)cc2)c1=O 2118557073 JJEBVIZVRHYUTB-UHFFFAOYSA-N 260.297 0.867 10 10 CCCE Nc1ccc(OCCN2C[C@@H]3NC(=O)O[C@@H]3C2)cc1 2120415277 HAMBHHDWHOSLLX-NWDGAFQWSA-N 263.297 0.440 10 10 CCCE NC(=O)[C@@]1(O)CCN(c2ccc3c(c2)CC[C@@H]3N)C1 2128325483 TUCMFEAIWOIWNY-GXTWGEPZSA-N 261.325 0.059 10 10 CCCE O=C(NCCN1CCCC1)c1cc(O)c(O)c(O)c1 2132349291 BEDUOZNCRSZRDS-UHFFFAOYSA-N 266.297 0.629 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)CN2CCOCC2)C1 1912161621 LLJRIDVNWFEYKR-JTQLQIEISA-N 253.306 0.477 10 10 CCCE CN(C(=O)c1cc(O)nc(O)c1)C1C[C@@H]2CC[C@H](C1)N2 103986946 NEWKXGZVEJFJDQ-ZACCUICWSA-N 277.324 0.848 10 10 CCCE [N-]=[N+]=NC[C@H]1CCN(C(=O)c2cn3cnnc3cn2)C1 1912177463 FGACUHCXXIOUIS-MRVPVSSYSA-N 272.272 0.897 10 10 CCCE CNC(=O)NC(=O)[C@@H](C)N1CCC[C@H](N=[N+]=[N-])C1 1912144911 YLDHZCQURHCRLJ-SFYZADRCSA-N 254.294 0.605 10 10 CCCE [N-]=[N+]=NCCC(=O)N1CCC2(CC1)NC(=O)CS2 1857658284 CJOHBXDXBIBLKA-UHFFFAOYSA-N 269.330 0.869 10 10 CCCE COc1ccc(N(C)[C@@H](CN)[C@@H]2COCCO2)cc1 2134793697 PXRRPDTZXGXTBQ-KBPBESRZSA-N 266.341 0.874 10 10 CCCE COc1ccc2c(c1)NC(=O)C[C@H]1C[S@](=O)CCN21 218049528 FSXMSRVVGCMRTQ-ZRNGKTOUSA-N 280.349 0.975 10 10 CCCE O=C(NCc1cc(O)ccc1O)c1ccc2nn[nH]c2n1 1455357927 XMSPIOSEUTWZOZ-UHFFFAOYSA-N 285.263 0.694 10 10 CCCE O=C(N[C@H]1CC[C@H](O)[C@H](O)CC1)c1cc(O)cs1 1529018755 SPIYZHUUEIBWTB-SLGCYQGISA-N 271.338 0.848 10 10 CCCE CON1CCN(c2ccc([N+](=O)[O-])c(CO)c2)CC1 1915554429 RJGIFSCGENDICU-UHFFFAOYSA-N 267.285 0.771 10 10 CCCE CC[C@@H](O)c1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CO)cc1 2136282277 AAAJWXPJCBSTJJ-MQYQWHSLSA-N 267.325 0.033 10 10 CCCE CCCNC(=O)CCNCc1ccc(O)c(O)c1O 226751899 GBRKABMICUSSAM-UHFFFAOYSA-N 268.313 0.809 10 10 CCCE Cn1ccnc1CCNC(=O)c1ccc(O)c(O)c1 227023208 YSQJVKWEQNEEEI-UHFFFAOYSA-N 261.281 0.804 10 10 CCCE COC(=O)c1cnn(CC(=O)NCc2ccccc2O)c1 1636057432 CKDKNIXRXQAKMK-UHFFFAOYSA-N 289.291 0.692 10 10 CCCE O=C(NCc1ccccc1O)c1cn(C(F)(F)CO)nn1 1636057709 IPGPHTKUMACTOV-UHFFFAOYSA-N 298.249 0.455 10 10 CCCE Nc1nnc(CC(=O)NCc2cccc(O)c2O)s1 1651176027 XHVUNXNNGNJXLB-UHFFFAOYSA-N 280.309 0.390 10 10 CCCE COc1ccc(=O)n(CCOc2ccc(N)cc2)n1 134499156 YCCWDIXLSOQIIW-UHFFFAOYSA-N 261.281 0.913 10 10 CCCE CC(C)NC(=O)NS(=O)(=O)Cc1ccc(N)cc1 158794856 ACOJPHNWJSWOMD-UHFFFAOYSA-N 271.342 0.806 10 10 CCCE COc1cc(N2CCC[C@H]2[C@H](O)CO)ccc1CO 2139704359 KKYNUGQDPUTOII-QWHCGFSZSA-N 267.325 0.510 10 10 CCCE COc1ccc(N(C)[C@@H](CO)CCO)c(OC)c1 258860797 ZVTOOECRGZQOLJ-SNVBAGLBSA-N 255.314 0.883 10 10 CCCE CN1CCCN(c2ccc3c(c2)OCO3)C[C@H]1CN 250402104 SVGDHYHZIVWNHP-GFCCVEGCSA-N 263.341 0.885 10 10 CCCE COc1ccc(N2C[C@H](C)NC[C@@H]2CO)cc1OC 251539433 BIXHJMUVPDUALV-CMPLNLGQSA-N 266.341 0.863 10 10 CCCE CC(C)CNC(=O)CCNC(=O)c1cccc(O)c1O 126536083 CUXHRVPTZOSJBZ-UHFFFAOYSA-N 280.324 0.990 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]2OCC[C@@H]2N1 2143571797 GSJVVUAEOKVCSY-SGMGOOAPSA-N 276.336 0.870 10 10 CCCE Oc1c(F)cc(F)cc1CN[C@H]1CCn2nnnc2C1 1875665970 FYJREXNKYBVBDP-VIFPVBQESA-N 281.266 0.762 10 10 CCCE COC(=O)[C@@H](CN)N1CCCc2cc(CN)ccc21 1963398959 JOGNBOKYGJXHRC-CYBMUJFWSA-N 263.341 0.398 10 10 CCCE CC[C@@H](c1ccccc1O)N1CCNC[C@H]1C(=O)NC 251167670 BEKZGRAHFQMIDL-STQMWFEESA-N 277.368 0.863 10 10 CCCE CN1CC[C@H](CNC(=O)Cc2ccc(N)cc2)C1=O 1967097798 AGOJKKDFFIPYHK-LLVKDONJSA-N 261.325 0.406 10 10 CCCE N[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)C1CCC1 1972115520 SKYJPJPVORQMPL-NSHDSACASA-N 264.325 0.884 10 10 CCCE Cc1cccc(O)c1CN[C@@H]1C[C@H]2C[C@H]1[C@H](O)[C@@H]2O 1974164760 YFMSLJIPLIVJAH-KVOBGNBSSA-N 263.337 0.920 10 10 CCCE CS(=O)(=O)N[C@@H]1CCN(Cc2cccc(F)c2O)C1 272282873 MYVNYHMKVDLCNV-SNVBAGLBSA-N 288.344 0.655 10 10 CCCE NCc1nc(C(=O)NCCc2ccc(O)c(O)c2)co1 2153503712 CYHBBEGEWRIYMN-UHFFFAOYSA-N 277.280 0.517 10 10 CCCE Nc1ccc(CS(=O)(=O)NCCN2C[C@H]3C[C@H]3C2)cc1 2155818471 LIOHMUQOBZEZGK-BETUJISGSA-N 295.408 0.640 10 10 CCCE Cc1ccc(CNCCCS(N)(=O)=O)c(O)c1 2024816695 QIIHOCJKBAPYED-UHFFFAOYSA-N 258.343 0.469 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CCC[C@H](C2OCCO2)C1 2029137944 MGERRCICUYLZHJ-VIFPVBQESA-N 294.307 0.718 10 10 CCCE C[C@H](N)c1ccc(N2C[C@@H](CO)C[C@H]2CO)cc1 2029369230 KNNFBDUKEGESBF-MJVIPROJSA-N 250.342 0.886 10 10 CCCE C[C@H](N[C@H]1COC[C@H]1CO)c1ccc(O)cc1O 2029844336 MFDWXRJYRVFWAI-SBMIAAHKSA-N 253.298 0.756 10 10 CCCE C[C@@H](O)c1ccc(N(C)CC(CO)CO)c(F)c1 2033029322 GFXVZORXFWBDCH-SECBINFHSA-N 257.305 0.916 10 10 CCCE COc1ccc(O)c(CNC[C@H]2COC[C@@H]2O)c1 2036567973 KPQMTRRNLZNRRH-GWCFXTLKSA-N 253.298 0.498 10 10 CCCE Nc1ccc(NC(=O)N2CC[C@H]3C(=O)NC[C@H]3C2)cc1 2157179962 QGWHUHCZQDZJHU-JOYOIKCWSA-N 274.324 0.869 10 10 CCCE CN[C@H](CO)CN1CCN(c2ccc(OC)cc2)CC1 70339712 UNZLQHJWZJLDKN-ZDUSSCGKSA-N 279.384 0.398 10 10 CCCE Nc1ccc(CC(=O)N2CCN3C[C@H](O)C[C@H]3C2)cc1 405330442 WNJBYFRDTFLIFB-UONOGXRCSA-N 275.352 0.089 10 10 CCCE CO[C@H]1COCC[C@H]1Nc1c(N)cccc1C(N)=O 312081581 LXLHYOXFPWBFOO-MNOVXSKESA-N 265.313 0.584 10 10 CCCE COc1cc(N)c(N2CCC(O)(CO)CC2)cc1OC 313645377 MEKHTXOUNIRXTM-UHFFFAOYSA-N 282.340 0.610 10 10 CCCE CN[C@H](C)c1ccc(N2C[C@@H](CO)[C@@H](O)C2)c(F)c1 316267658 BHHHMAWPEJHDMF-PUYPPJJSSA-N 268.332 0.896 10 10 CCCE CN(C)C[C@H]1CCN1c1ccc2c(c1)N(C)C(=O)[C@H]2N 2160883753 XJJGNEMURFYWKK-RISCZKNCSA-N 274.368 0.803 10 10 CCCE CN1CCN(C2CN(c3ccc(CO)cc3F)C2)CC1 700523650 WOHNRFKBHNZGLW-UHFFFAOYSA-N 279.359 0.754 10 10 CCCE COc1ccc(N2CCC[C@@H](NS(C)(=O)=O)C2)c(N)c1 702993564 LMMDXQGUAZRYKJ-SNVBAGLBSA-N 299.396 0.795 10 10 CCCE CC(=O)c1ccc(O)c(CN2CC(NS(C)(=O)=O)C2)c1 703158586 ZXJBJKULPIGHFA-UHFFFAOYSA-N 298.364 0.328 10 10 CCCE NC(=O)Cn1cc(NCc2ccc(F)c(F)c2O)cn1 703340019 HMOZFTYWBMPVSU-UHFFFAOYSA-N 282.250 0.964 10 10 CCCE NC(=O)[C@@H]1CCN(Cc2ccc(F)c(F)c2O)C1 703556013 NIABJYQLSWVMGK-MRVPVSSYSA-N 256.252 0.978 10 10 CCCE CCOc1cccc(CN2CCO[C@H]3CNC[C@@H]32)c1O 686536231 QCOJJGBKJHCYPT-JSGCOSHPSA-N 278.352 0.964 10 10 CCCE CCNC(=O)NCCNC(=O)COc1ccc(N)cc1 381239563 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CO[C@@H]1C[C@H]1NC(=O)c1ccn(-c2ccc(N)cc2)n1 2188214673 HURZCEYLOIQLEO-CHWSQXEVSA-N 272.308 0.972 10 10 CCCE Nc1ccc(OCC(=O)N2CCNC(=O)C23CC3)cc1 2188553352 LIIMEWOKIXKCHG-UHFFFAOYSA-N 275.308 0.139 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC(O)(c2ccsc2)C1 2193362123 CVHUVCIYZQWBHK-UHFFFAOYSA-N 292.316 0.898 10 10 CCCE C[C@H](O)[C@@H]1CCCN1C[C@H](O)COc1ccc(N)cc1 2193586673 NZMSWJGSRHULMK-WHOFXGATSA-N 280.368 0.854 10 10 CCCE CC[C@@H](N)c1ccc(N2CC3(C2)OC[C@@H](O)[C@H]3O)cc1 2183627180 OMCQBKGKOAZWIK-MGPQQGTHSA-N 278.352 0.407 10 10 CCCE CCn1nnc([C@H](NC)c2ccc3c(c2)CCN3C)n1 2197841349 RFALYFFIKNPNIB-CYBMUJFWSA-N 272.356 0.994 10 10 CCCE O=C1NC[C@@H]2CN(c3ccc4c(c3)CC[C@H]4O)CCN12 2184729637 LPOVEAFJYSGANU-TZMCWYRMSA-N 273.336 0.880 10 10 CCCE Nc1ccc(OCCC(=O)NCC2[C@H]3CNC[C@H]23)cc1 2191750150 SPOFNJLLKFNGNL-STQMWFEESA-N 275.352 0.619 10 10 CCCE CCOC(=O)Cc1cnc(NN(C)S(C)(=O)=O)s1 2317459379 YYVJWKPRKPYFNC-UHFFFAOYSA-N 293.370 0.467 10 10 CCCE C[C@@H](CCN)N(C)C(=O)COc1ccc(N)cc1 2071691579 HNLFOEWZRNDGHP-JTQLQIEISA-N 251.330 0.843 10 10 CCCE C[C@H](O)[C@H](NC(=O)c1cc(O)c(O)c(O)c1)C(F)(F)F 2195318863 BJNOBHZGEVXHKV-IGJIYHIXSA-N 295.213 0.845 10 10 CCCE NCc1cc(F)c(N2CC(OCC(N)=O)C2)c(F)c1 2089132320 APWCXRXVSKAIHI-UHFFFAOYSA-N 271.267 0.114 10 10 CCCE C[C@@H]1CCN(C(=O)c2ccc(O)c(O)c2)[C@H]1C(N)=O 2090254668 WZQSPEKNISCULM-RDDDGLTNSA-N 264.281 0.434 10 10 CCCE CO[C@@H]1CN(c2ccc3c(c2)NC(=O)[C@H]3O)C[C@@H]1F 2090290754 IVEFTLFYARGOLF-WCQGTBRESA-N 266.272 0.845 10 10 CCCE C[C@@H]1C[C@H]1N(CCO)C(=O)COc1ccc(N)cc1 2110787682 UNCNZVAJNNJVPI-ZWNOBZJWSA-N 264.325 0.877 10 10 CCCE Nc1ccc(OCCN2CC(=O)N[C@@H]3CC[C@H]32)cc1 2112061095 JIWYEQMFTNVOFE-CHWSQXEVSA-N 261.325 0.610 10 10 CCCE NCc1ccc(N2C[C@@H](CCO)[C@@H](CO)C2)c(F)c1 2093494883 BUXNKGZGGUTVDR-VXGBXAGGSA-N 268.332 0.712 10 10 CCCE Nc1ccc(NC(=O)N2C[C@H]3C[C@@]2(CO)CO3)cc1 2094655195 FPIPDOBRNMYNIF-DGCLKSJQSA-N 263.297 0.636 10 10 CCCE Nc1ccc(CCC(=O)NC2CC(O)(CO)C2)cc1 2269155582 HCOQPTLOJRTCLO-UHFFFAOYSA-N 264.325 0.203 10 10 CCCE CN(Cc1ccccc1O)[C@H]1CC(CO)(CO)C[C@@H]1O 2206363588 YSKQUIOFAOJZOW-JSGCOSHPSA-N 281.352 0.318 10 10 CCCE CC(C)(C)OC(=O)N1CC[C@@H]1COc1nnc(=N)[nH]n1 2209173874 ZJEMFMTZIJXYBK-SSDOTTSWSA-N 282.304 0.067 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CC[C@@H]4[C@@H](O)C[C@@H]4C3)ccc21 2232880854 PNIPLBHYTOYRTA-WNIABHAQSA-N 273.336 0.846 10 10 CCCE CNCc1cc(OC)ccc1N1CCN(C)C[C@H]1CO 2235961522 YYTIXZFORYYQQW-ZDUSSCGKSA-N 279.384 0.527 10 10 CCCE CCN1CCc2cc(N3CC(CO)(CO)C3)ccc21 2226656047 NGRQHMCAKCUNNH-UHFFFAOYSA-N 262.353 0.860 10 10 CCCE COc1ccc(N2CC(CS(C)(=O)=O)C2)c(CN)c1 2227675717 LDVZPFFSFHRAKR-UHFFFAOYSA-N 284.381 0.635 10 10 CCCE O=c1c2c(ccn1C[C@]13CCOC[C@@H]1C3)CCNC2 2228659417 NTWOHLQTRLZGOB-SWLSCSKDSA-N 260.337 0.921 10 10 CCCE Cc1cc(N2CC[C@](O)(CO)[C@H](O)C2)ccc1[C@H](C)O 2285154944 ZBFBEFQUQKFZPU-GLQYFDAESA-N 281.352 0.343 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NCC1(O)CSC1 2256021354 HUJBYDCELUZNEU-UHFFFAOYSA-N 269.322 0.234 10 10 CCCE COc1ccc(CN[C@@H]2C[C@@H](O)[C@@H]2OC)c(O)c1 2258674383 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O=C(N[C@]1(C(=O)O)CCOC1)c1ccc(O)c(O)c1 236434796 CMJFHRFZQIRHDX-GFCCVEGCSA-N 267.237 0.071 10 10 CCCE CN(C)c1ccc([C@@H]2NC(=O)[C@H]3COCCN32)cc1 93883254 VAGGWXBBFWEUSA-CHWSQXEVSA-N 261.325 0.582 10 10 CCCE C[C@H](Cn1cncn1)NC(=O)c1cccc(O)c1O 274955491 IKQGECWTMFXTRU-MRVPVSSYSA-N 262.269 0.508 10 10 CCCE COc1cc(C(=O)N[C@H]2CNC(C)(C)C2)cc(OC)n1 2166942002 FCMMIVONMIFZLF-SNVBAGLBSA-N 279.340 0.969 10 10 CCCE CC(=O)C(=O)COC(=O)CC[C@@H]1CCCCN1C 808550368 JXGHJFBQQAOUHF-NSHDSACASA-N 255.314 0.952 10 10 CCCE CC(=O)NCc1ccc(C(=O)OCC(=O)C(C)=O)s1 808508542 HKVPCPKCBKNDJQ-UHFFFAOYSA-N 283.305 0.699 10 10 CCCE CC1(C)C(=O)NC(=O)CN1c1c(F)cc(CN)cc1F 97316054 YYFRYDPQENWBBM-UHFFFAOYSA-N 283.278 0.665 10 10 CCCE O=S(=O)(Nc1ccc(O)cc1Cl)C1CNC1 722255410 LIMQHHRCTYNCTP-UHFFFAOYSA-N 262.718 0.759 10 10 CCCE O=C1CN[C@H](c2c(O)cccc2Br)CN1 1952004857 FGHQJAVQMODNNY-ZETCQYMHSA-N 271.114 0.915 10 10 CCCE CN1CCO[C@@H](C(=O)NCc2c(O)cccc2F)C1=O 928711308 MWUVPDOAUSRCAU-NSHDSACASA-N 282.271 0.005 10 10 CCCE COc1ccc(O)c(CN[C@@H]2CCCNC2=O)c1 50394656 KWEFMDKZACWDRW-LLVKDONJSA-N 250.298 0.769 10 10 CCCE COc1ccc(CN2CCO[C@@H]([C@H](C)N)C2)c(O)c1 132538710 UNCMIWTXDNBHSU-IINYFYTJSA-N 266.341 0.949 10 10 CCCE COC(=O)[C@@]1(O)CCN(Cc2c(C)cccc2O)C1 895702547 QGNYSQXSNIZORF-CQSZACIVSA-N 265.309 0.810 10 10 CCCE CCOC[C@H](O)CNC(=O)Cc1ccc(N)cc1 386484671 WRUNBEGSKYLBSG-GFCCVEGCSA-N 252.314 0.325 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N(CC(N)=O)C(C)C)ccc21 705735947 BNGCOPHBYPEHKK-CYBMUJFWSA-N 276.340 0.599 10 10 CCCE C[C@H](N[C@@H](CO)CN(C)C)c1c(O)cccc1O 716702739 AUUAVPOIENPRHW-VHSXEESVSA-N 254.330 0.671 10 10 CCCE OCc1cc(F)c(N2C[C@@H](O)C[C@H]2CO)c(F)c1 698129773 NCKBROQOEQWVQV-IUCAKERBSA-N 259.252 0.389 10 10 CCCE CC[C@@H]1C(=O)NC(=O)CN1Cc1cc(N)ccc1O 97318114 SKYPRNDKZBYGAJ-SNVBAGLBSA-N 263.297 0.211 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)[C@H]1CNC[C@H]1F 2120662398 BZQKZGWLLMHASF-VHSXEESVSA-N 268.288 0.314 10 10 CCCE C[C@H](N)c1ccc(N2CC[C@]3(CNC(=O)N3)C2)cc1 2121209747 VBTAEGYXIAFMFY-HZMBPMFUSA-N 260.341 0.968 10 10 CCCE CN1CCN(C)[C@H](C(=O)N2CCC[C@H]2CN=[N+]=[N-])C1 2123020645 QDXMJINTFFXJDN-QWRGUYRKSA-N 266.349 0.534 10 10 CCCE CC[C@H]1CN(C(=O)c2cc(O)nc(O)c2)CC[C@@H]1O 2123488512 KPFRVYAMSLFWTJ-WPRPVWTQSA-N 266.297 0.726 10 10 CCCE C[C@@H](CO)CS(=O)(=O)Nc1ccc(O)cc1[N+](=O)[O-] 2127142884 SEKZICYYHRLKLF-ZETCQYMHSA-N 290.297 0.671 10 10 CCCE Nc1ccc(NC(=O)C(=O)N2C[C@H]3C[C@@H](O)C[C@H]2C3)cc1 1330564981 UHRRIFGDTJYDLB-OASPWFOLSA-N 289.335 0.579 10 10 CCCE N[C@H]1CCc2cc(N3CC4(CNC(=O)N4)C3)ccc21 2128323194 SIMMBASOPFOHAH-LBPRGKRZSA-N 258.325 0.504 10 10 CCCE CCN[C@@H]1CCc2cc(N3C[C@H](O)[C@@H](O)C3)ccc21 2128300268 YDRVAEHXQPBSHX-ILXRZTDVSA-N 262.353 0.825 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N3CCN(C)CC3)ccc21 102452262 AHGQLUUQDIMJAR-CYBMUJFWSA-N 260.341 0.651 10 10 CCCE Nc1ccc(CN2CC[C@H]3OCC(=O)N[C@@H]3C2)cc1 2129055362 IMXVUGMDTGADFV-CHWSQXEVSA-N 261.325 0.358 10 10 CCCE Nc1ccc(Cn2c(C(=O)O)cc(O)cc2=O)cc1 2132743225 CUUSGXBTDWANDY-UHFFFAOYSA-N 260.249 0.883 10 10 CCCE Nc1ccc(CS(=O)(=O)NC[C@@H]2NC[C@@H]3C[C@@H]32)cc1 1905946478 IIQDFWCOPVXSFH-DRZSPHRISA-N 281.381 0.296 10 10 CCCE CCn1nncc1S(=O)(=O)N1CCC[C@@H]1CN=[N+]=[N-] 1912162495 WSLBRTIHIQEFBV-MRVPVSSYSA-N 285.333 0.761 10 10 CCCE CCCNC(=O)CN(C)C(=O)CN1CC[C@@H](N=[N+]=[N-])C1 1912197827 YYWXNWJGZAFYDF-SNVBAGLBSA-N 282.348 0.356 10 10 CCCE [N-]=[N+]=NCC1CCN(C(=O)Cn2cccnc2=O)CC1 1912190145 ZQIWZUFJFWUHLK-UHFFFAOYSA-N 276.300 0.792 10 10 CCCE CN1C[C@@H](C(=O)N2CC[C@H](CN=[N+]=[N-])C2)CC1=O 1912148939 ZTOVDYQNYZTEDX-BDAKNGLRSA-N 251.290 0.624 10 10 CCCE CC[C@@H](C)[C@H](NC(N)=O)C(=O)N(C)CCN=[N+]=[N-] 1912165281 IVKDSKCUJPSDLP-SFYZADRCSA-N 256.310 0.838 10 10 CCCE Nc1ccc(CCNS(=O)(=O)N2CCC(O)CC2)cc1 1914161035 NNRZVBVDQWXHEC-UHFFFAOYSA-N 299.396 0.102 10 10 CCCE CSc1ncc(CNS(=O)(=O)N(C)CCN)s1 2248609111 JJOMMVWRARSPEW-UHFFFAOYSA-N 296.443 0.090 10 10 CCCE O=C(N[C@H]1CC[C@H](O)CC1)c1cc(O)c(O)c(O)c1 1865875843 KAOZZCGFMQZFSE-KYZUINATSA-N 267.281 0.837 10 10 CCCE C[C@@H]1CCN(S(=O)(=O)Cc2ccc(N)cc2)[C@@H]1CO 226896999 ACXLIELIVXLERI-ZWNOBZJWSA-N 284.381 0.801 10 10 CCCE NC1(C(=O)O)CCN(c2ccc3c(c2)OCO3)CC1 259221934 GWGHRNOLXFFCTG-UHFFFAOYSA-N 264.281 0.798 10 10 CCCE NC(=O)c1cc(C(=O)NCc2c(O)cccc2O)c[nH]1 1635843117 GSEHPCFYFZBOKM-UHFFFAOYSA-N 275.264 0.455 10 10 CCCE CCn1nncc1C(=O)NCc1cccc(O)c1O 1643812540 KFEAIHYRDJWTTN-UHFFFAOYSA-N 262.269 0.639 10 10 CCCE COc1cc(N2CC(N3CC(F)C3)C2)ccc1CN 2139704597 OAJLFORUHLHECG-UHFFFAOYSA-N 265.332 0.996 10 10 CCCE CC(C)CNC(=O)[C@H](C)NC(=O)c1cccc(O)c1O 126532510 KGSPSFKYDGEPCP-VIFPVBQESA-N 280.324 0.988 10 10 CCCE Nc1ccc(CNC(=O)[C@@H]2CCS2(=O)=O)cc1 1945533126 PTJNAPYOLAEGRK-JTQLQIEISA-N 254.311 0.072 10 10 CCCE CN[C@@H]1CCN(c2cc3c(cc2N)OCC(=O)N3)C1 1876302032 BUFGQEATTCBZIO-MRVPVSSYSA-N 262.313 0.398 10 10 CCCE C[C@@H]1COCCN1c1cc2c(cc1N)OCC(=O)N2 35774219 KSZPBHCCBKYFCV-MRVPVSSYSA-N 263.297 0.825 10 10 CCCE C[C@@H](O)c1cc(F)c(N2CC(O)(C(N)=O)C2)c(F)c1 1880481639 HNJMGRHSONHGHJ-ZCFIWIBFSA-N 272.251 0.055 10 10 CCCE CN(C)c1ccc2c(c1)OCCN2C[C@@H]1CC(=O)N1 1884676173 BELGHTAIIUVRDD-JTQLQIEISA-N 261.325 0.840 10 10 CCCE Nc1ccc(CN2C[C@H]3C[C@H]2CS3(=O)=O)cc1 250264786 WIAWJELVXBBNSQ-NWDGAFQWSA-N 252.339 0.640 10 10 CCCE CN(C)c1ccc(CNC(=O)[C@]2(N)CCCOC2)cc1 1968438817 OXEMSTWWOXCREE-HNNXBMFYSA-N 277.368 0.877 10 10 CCCE CO[C@H](Cn1ccc2c(c1=O)CNCC2)[C@@H]1CCOC1 2150794720 BIFSURXGLZUGRK-TZMCWYRMSA-N 278.352 0.546 10 10 CCCE C[C@@H]1[C@@H]2CNC[C@H]2CN1C(=O)c1cccc(O)c1O 253087716 DLJORNOCNLEUEN-YWVKMMECSA-N 262.309 0.778 10 10 CCCE C[C@H](C(=O)NC(N)=O)N(Cc1ccc(N)cc1)C1CC1 35366122 LKRBKAGONFZCSP-SECBINFHSA-N 276.340 0.817 10 10 CCCE CO[C@H]1CNCC[C@H]1NC(=O)Cc1ccc(O)c(O)c1 2146724748 LUCRAAJARRVZNN-MFKMUULPSA-N 280.324 0.133 10 10 CCCE CCN1CCN(c2ccc3c(c2)NC(=O)[C@H]3N)CC1 36194195 RHGWIDPGGCGIKC-ZDUSSCGKSA-N 260.341 0.780 10 10 CCCE C[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 40468891 YRIYIYMBSPJUNW-KOLCDFICSA-N 264.325 0.979 10 10 CCCE COc1ccc(N2CCOC[C@H]2C(=O)N(C)C)c(N)c1 2155016269 DAXNVJPVASXQGW-ZDUSSCGKSA-N 279.340 0.571 10 10 CCCE COc1ccc(N2CCN(CCN)CC2)c([N+](=O)[O-])c1 2156996163 HPNKDRFFSCNJIV-UHFFFAOYSA-N 280.328 0.684 10 10 CCCE Nc1ccc(CCC(=O)NCCc2nnn[nH]2)cc1 311364943 JKOMXQNMOJDNEA-UHFFFAOYSA-N 260.301 0.073 10 10 CCCE O=C(NCCN1CCC(O)CC1)c1ccc(O)c(O)c1 321465142 SHYXDLGJLNTFPS-UHFFFAOYSA-N 280.324 0.284 10 10 CCCE Oc1ccc(CNCCN2CCC(O)CC2)c(O)c1O 321537606 KFXMUDYYIKJFPI-UHFFFAOYSA-N 282.340 0.350 10 10 CCCE CN1CCC[C@@H](NCc2ccc(O)c(O)c2)C1=O 704388285 SZJDJERDAOPGDA-SNVBAGLBSA-N 250.298 0.808 10 10 CCCE OCc1ccc(N2CCn3c(CO)nnc3C2)c(F)c1 2171799194 ZRHHEIAESQZZNY-UHFFFAOYSA-N 278.287 0.422 10 10 CCCE CN(C)C(=O)OCCNCc1ccc(O)cc1O 689034356 VYXVODGNFUMOJI-UHFFFAOYSA-N 254.286 0.886 10 10 CCCE CN(CC(C)(CO)CO)c1ccc2c(c1)NC(=O)[C@H]2N 689680039 TZNLEFKVUFJELJ-LBPRGKRZSA-N 279.340 0.066 10 10 CCCE CN[C@]1(C(=O)NCc2ccc(N(C)C)cc2)CCOC1 380859035 VIFAKKUBZUCIIJ-OAHLLOKOSA-N 277.368 0.747 10 10 CCCE C[C@@H]1[C@@H](CO)CCN1C(=O)c1cc(O)nc(O)c1 385865875 IFSFBWBRKIOQHD-HTQZYQBOSA-N 252.270 0.336 10 10 CCCE CC(=O)C(=O)COC(=O)CNC(=O)OCc1ccccc1 808508546 HXJQVGRFTNVBGD-UHFFFAOYSA-N 293.275 0.614 10 10 CCCE C[C@]1(NC(=O)c2ccc(O)c(O)c2)CCC(=O)NC1=O 2172844181 SXODLTFRBXMGCE-ZDUSSCGKSA-N 278.264 0.023 10 10 CCCE N=C(C[C@@H]1CCN(C(=O)c2cccc(O)c2O)C1)NO 397627868 SRKLJHCWTROOOV-QMMMGPOBSA-N 279.296 0.906 10 10 CCCE C[C@@H](C[S@](C)=O)N(C)CC(=O)c1ccc(O)c(O)c1 399902314 KZFQSRKGWIMKMJ-UGZDLDLSSA-N 285.365 0.979 10 10 CCCE CO[C@H](C)CN(C)C(=O)c1cnn2c(O)cc(C)nc12 2063606293 PFZKWZMFNUKQJB-SECBINFHSA-N 278.312 0.850 10 10 CCCE CN(C)CCCOC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 2175877133 QZTFULUEDUYUSZ-NSHDSACASA-N 282.340 0.463 10 10 CCCE O=C1NCC[C@@H]1CNC(=O)[C@H]1CNc2ccccc2N1 2196742738 ANOBVTVZJZRIII-BXKDBHETSA-N 274.324 0.145 10 10 CCCE CC(=O)N[C@H]1CCN(c2ccc(CO)c([N+](=O)[O-])c2)C1 2188571758 JMCNFKXSAPUEOC-NSHDSACASA-N 279.296 0.802 10 10 CCCE COc1cc(N2C[C@@H](N)[C@H](OC)C2)cc(OC)c1OC 2181947131 UEKNBUZFLDWXPU-ZWNOBZJWSA-N 282.340 0.875 10 10 CCCE O=C(O)[C@@H]1C[C@@H](F)CN1C(=O)c1cc(O)c(O)c(O)c1 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CN(C)c1ccc([C@@H](O)[C@@H](N)c2cnnn2C)cc1 2091914583 WVJGGFVCKOZCLX-QWHCGFSZSA-N 261.329 0.615 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1C[C@@H]2OCCO[C@@H]2C1 2093350539 CQDLQWGLPMWDDC-TXEJJXNPSA-N 265.265 0.338 10 10 CCCE CN[C@H](c1ccccc1O)[C@@H](O)[C@@]1(OC)CCOC1 2095093686 RRTCLBKQSGYJFY-MGPQQGTHSA-N 267.325 0.819 10 10 CCCE COc1ccc(O)c([C@H](C)N[C@@H]2CC(=O)NC2=O)c1 2096084533 RZAWOLPUYZVCKT-OIBJUYFYSA-N 264.281 0.467 10 10 CCCE COc1cc(N2CCN3C(=O)NC[C@@H]3C2)ccc1CO 2204543019 IAKBXXPFCOQSSW-GFCCVEGCSA-N 277.324 0.401 10 10 CCCE Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)O)c(O)c1 2204633967 OUNKMCLSCRMNEK-LLVKDONJSA-N 278.308 0.476 10 10 CCCE COC(=O)[C@H]1C[C@@H]1C(=O)NCCOc1ccc(N)cc1 2232885142 BZMMCNYMFSNNOT-RYUDHWBXSA-N 278.308 0.573 10 10 CCCE CN1CCN(Cc2c[nH]nc2CCN)c2cnccc21 2235314315 QKFMKSJGSJEUFP-UHFFFAOYSA-N 272.356 0.762 10 10 CCCE COc1ccc(N2C[C@@H](CO)OCC23CC3)c(CN)c1 2235976592 HTKXSBFMPGOOHF-ZDUSSCGKSA-N 278.352 0.884 10 10 CCCE Nc1ccc(CN2C[C@@H]3[C@H]4C[C@@H]([C@H](O)[C@H]4O)[C@@H]3C2)cc1 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0.929 10 10 CCCE CCN(CCN=[N+]=[N-])C(=O)[C@H]1CC[C@H](C(=O)O)O1 2315988789 LYIVALZJHUTFEN-HTQZYQBOSA-N 256.262 0.777 10 10 CCCE CS(=O)(=O)[C@@H]1CC[C@H]1NCc1cccc(O)c1O 2319785171 UDWXFJJBPSEZJE-MWLCHTKSSA-N 271.338 0.763 10 10 CCCE CN(C)c1ccc(CNCC[C@H](O)CCO)cc1 2326775015 MZROPXMWMSNHKV-AWEZNQCLSA-N 252.358 0.976 10 10 CCCE COc1ccc(O)c(CN2C[C@@H]3[C@H](C2)CS3(=O)=O)c1 2336549954 ZZYQZQZQDKXZOD-ZWNOBZJWSA-N 283.349 0.630 10 10 CCCE CS(=O)(=O)[C@H]1CC[C@H]1NCc1ccc(O)c(O)c1O 2342663102 UOHHZOXSZMWXEO-SCZZXKLOSA-N 287.337 0.469 10 10 CCCE COc1ccc(-n2nnnc2CSCC(=O)O)cc1 26442718 MPUSKPRUEYLGDQ-UHFFFAOYSA-N 280.309 0.989 10 10 CCCE N[C@@H](CO)c1cc(I)ccc1O 72199585 POUYZHXQKGUXOZ-ZETCQYMHSA-N 279.077 0.989 10 10 CCCE COC[C@H](O)CNC(=O)c1ccn(-c2ccc(N)cc2)n1 71263399 HSBOKLYOGFJTHL-GFCCVEGCSA-N 290.323 0.192 10 10 CCCE NC(=O)OCCNC(=O)c1ccn(-c2ccc(N)cc2)n1 135149506 CKGGYDKYDIEORJ-UHFFFAOYSA-N 289.295 0.280 10 10 CCCE CN1CCN(CC(=O)c2ccc(O)c(O)c2)C(C)(C)C1=O 94866513 YLHIRBIWIWOQDB-UHFFFAOYSA-N 292.335 0.833 10 10 CCCE CN(CC(N)=O)c1ccc(CN)c(Br)c1F 231838946 WWUQALJIJZCYEA-UHFFFAOYSA-N 290.136 0.968 10 10 CCCE CCN(CC(N)=O)c1ccc([N+](=O)[O-])c(CO)c1 233445456 TZOAFKVEUSVQJA-UHFFFAOYSA-N 253.258 0.399 10 10 CCCE COc1ccc(N2CC[C@H](O)[C@H](C(=O)O)C2)cc1OC 606606832 QVXOEDXYLRTAGB-MNOVXSKESA-N 281.308 0.976 10 10 CCCE CC(=O)C(=O)COC(=O)COc1ccc(O)cc1 808517687 JSRQUFGQSLRIQQ-UHFFFAOYSA-N 252.222 0.472 10 10 CCCE CN1CCc2cc([C@@H]3CS(=O)(=O)CCN3)ccc21 1952591700 RZHNHKFLOMNWOG-LBPRGKRZSA-N 266.366 0.738 10 10 CCCE C[C@H]1CC[C@@H](NC(=O)Cc2ccc(N)cc2)CS1(=O)=O 852856192 NICMBBJYFBJDMX-GXFFZTMASA-N 296.392 0.893 10 10 CCCE N[C@@H](c1nnc(C2CC(=O)C2)o1)c1cc(O)ccc1O 83542783 JSMAJDSBKIMOKM-LLVKDONJSA-N 275.264 0.975 10 10 CCCE O=C(c1cccc(O)c1O)N1CC[C@]2(CNCCO2)C1 717601819 VPKLVMDBTIUVEQ-AWEZNQCLSA-N 278.308 0.302 10 10 CCCE C[C@H](O)C1CN(c2cc3c(cc2F)[C@H](O)C(=O)N3)C1 719868214 NSSQSNAELGDCBA-QTTZVWFDSA-N 266.272 0.628 10 10 CCCE CCn1cc([C@](C)(NCCCN=[N+]=[N-])C(N)=O)nn1 714981124 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NC[C@@H]1[C@H]2C[C@@H]2CN1C(=O)COc1ccc(N)cc1 1905414836 LICHVHSJQWGCQS-JIMOISOXSA-N 261.325 0.453 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1NC[C@H]2C[C@@H]21 1906023291 IPYAOZYBDNMEKG-VWYCJHECSA-N 262.309 0.364 10 10 CCCE C[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CC[S@](=O)C1 1447720577 MTLKVKOTQRZOQD-SBKAZYGRSA-N 297.376 0.867 10 10 CCCE CC(=O)c1ccc(O)c(CN2CC(C)(C(N)=O)C2)c1 1914211438 BSPNJMMCWJBTLH-UHFFFAOYSA-N 262.309 0.902 10 10 CCCE C[C@@H]1[C@H](O)CCN1c1ccc2c(c1)N(C)C(=O)[C@H]2N 1914305811 RZZVPMUIWOIMTQ-WQHBLYJGSA-N 261.325 0.622 10 10 CCCE CNC(=O)[C@H](C)N(C)c1c(F)cc(CN)cc1F 1916795163 NOUAGGSZZSPIEZ-ZETCQYMHSA-N 257.284 0.994 10 10 CCCE CN(c1ccc2c(c1)NC(=O)[C@@H]2N)C(C)(C)C(N)=O 1915543547 WYJIVPWRRGVXHH-SNVBAGLBSA-N 262.313 0.339 10 10 CCCE CC(=O)C(=O)[C@H](O)[C@H](C)CNC(=O)OC(C)(C)C 1919237934 ZKGXGECTOZNLRH-VXNVDRBHSA-N 259.302 0.666 10 10 CCCE C[C@H](c1cc(O)ccc1O)N1C[C@H](O)C[C@@H]1C(=O)O 2136093265 IBXSAVWETYWZAR-BCMRRPTOSA-N 267.281 0.679 10 10 CCCE CN(C)c1ccc(CN2CC(CO)(C(=O)O)C2)cc1 2136357279 IYVBVKPASRAPRN-UHFFFAOYSA-N 264.325 0.632 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3C[C@@H](O)C34CCC4)ccc21 2136740033 UYFKECBSOHUYQJ-VXGBXAGGSA-N 259.309 0.742 10 10 CCCE COc1cccc(CNC(=O)Cc2cnc[nH]2)c1O 1631539968 HQFXRHPQJKJDNE-UHFFFAOYSA-N 261.281 0.983 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3C[C@@H](O)CC4(CC4)C3)ccc21 1926416593 SKCBNTRKDOEWGD-GXFFZTMASA-N 273.336 0.990 10 10 CCCE CNC(=O)C[C@H](C)NC(=O)NCc1ccccc1O 1682613214 JFZHVMIHTJKLNV-VIFPVBQESA-N 265.313 0.716 10 10 CCCE CCNCc1ccc(N2C[C@H](O)[C@H](O)C2)cc1OC 2139689994 XJGHUPZKURCADE-BETUJISGSA-N 266.341 0.347 10 10 CCCE C[C@H](NS(=O)(=O)N1CCNCC1)c1ccccc1O 923668180 DIKIIYZMPWPJGP-JTQLQIEISA-N 285.369 0.193 10 10 CCCE Nc1ccc(OCC(=O)N[C@@H]2C[C@@H]3CNC[C@H]32)cc1 1876444503 QKZTWQONLYIDFR-OASPWFOLSA-N 261.325 0.372 10 10 CCCE O=S1(=O)CC[C@H]1CNCc1ccc(O)c(O)c1 1945528942 FWJQRDCFLFYLMK-VIFPVBQESA-N 257.311 0.375 10 10 CCCE Oc1ccc(F)cc1CN1CCN(C2CNC2)CC1 236559693 OMXCFXSILFEEED-UHFFFAOYSA-N 265.332 0.621 10 10 CCCE COc1cccc(CNCC2(C)CS(=O)(=O)C2)c1O 1967851176 LXHVCGDLUCEPOU-UHFFFAOYSA-N 285.365 0.925 10 10 CCCE CNC[C@@H](C)CNC(=O)Cc1ccc(O)c(O)c1 1969396891 CJNBVBPIPJRWCX-SECBINFHSA-N 252.314 0.612 10 10 CCCE C[C@H]1NCCC[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 1971875223 BMPMVMSRWVXHLN-KOLCDFICSA-N 264.325 0.897 10 10 CCCE O=C(O)[C@H]1[C@H]2[C@@H]1OCCN2C(=O)c1cccc(O)c1O 2149282721 YRTLKVROHPYBKK-ATZCPNFKSA-N 279.248 0.022 10 10 CCCE C[C@@H]1CN(c2ccc3c(c2)N(C)C(=O)[C@@H]3N)CCO1 155737076 XWNRPZCOAYQZGU-NOZJJQNGSA-N 261.325 0.888 10 10 CCCE COCC[C@H]1CN(C(=O)c2ccc(O)c(O)c2)CCO1 2148090773 GJASHBOHHDQUQU-NSHDSACASA-N 281.308 0.975 10 10 CCCE CN1CC(N(C)[C@@H](CN)c2ccc3c(c2)CCN3C)C1 2145470273 RSYUOBTYSKFYAN-INIZCTEOSA-N 274.412 0.925 10 10 CCCE Nc1ccc(CCC(=O)N2C[C@H](O)C[C@H]2C(=O)O)cc1 158124775 SQFTVXWGSSEWKV-NEPJUHHUSA-N 278.308 0.248 10 10 CCCE CN1CCN(C[C@H](O)COc2ccc(N)cc2)CC1 36985182 ANYPKLDOXQJTSA-ZDUSSCGKSA-N 265.357 0.256 10 10 CCCE CN(C(=O)Cc1ccc(O)c(O)c1)C(C)(C)CO 2027486048 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10 CCCE CN(C)[S@](C)(=O)=NC(=O)c1cc(O)c(O)c(O)c1 2068617422 ITEUHSAQPKQGRL-GOSISDBHSA-N 274.298 0.518 10 10 CCCE CN[C@H]1CC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2068619924 DCIUIAIZPZQARG-JGVFFNPUSA-N 252.270 0.284 10 10 CCCE COCCN(Cc1cc(N)ccc1O)C1COC1 2073294944 SXTQMFGYNAZMSD-UHFFFAOYSA-N 252.314 0.822 10 10 CCCE COc1ccc(N2CC[C@H](O)C[C@@H]2CO)c([N+](=O)[O-])c1 2200834422 WNPRGLXTDQBVGL-ZJUUUORDSA-N 282.296 0.925 10 10 CCCE O=C(O)[C@]1(O)CCN(Cc2ccc(O)c(O)c2)C1 2076877122 JMPFKUABNZEMTK-LBPRGKRZSA-N 253.254 0.119 10 10 CCCE OCc1ccc(=NCCc2ccc(O)c(O)c2)[nH]n1 2101496096 ONCQDCMDRJSYPP-UHFFFAOYSA-N 261.281 0.457 10 10 CCCE O=C(NC1CC([C@@H](F)C(=O)O)C1)c1cc(O)nc(O)c1 2198967428 ZHVIFQJFHMMSCL-NHXUYEQSSA-N 284.243 0.424 10 10 CCCE Cc1nnc2n1C[C@H](C(=O)N1CC[C@H](N=[N+]=[N-])C1)C2 2111425729 AUOPEYUCBIDQPB-BDAKNGLRSA-N 261.289 0.670 10 10 CCCE NNc1cccc(=NCCc2ccc(O)c(O)c2)[nH]1 2091761218 XFYDBSOSGAWPJF-UHFFFAOYSA-N 260.297 0.855 10 10 CCCE C[C@@H]1C[C@@H](CN)CCN1C(=O)c1cc(O)nc(O)c1 2091830230 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OCc1ccc(N2C[C@H]3C[C@@H](O)[C@H](O)C[C@H]3C2)c(F)c1 2236986203 AZQBYPIHZTWCAE-BAESOJJISA-N 281.327 0.886 10 10 CCCE CN(C)C[C@@H]1C=CCN1c1ccc2c(c1)NC(=O)[C@@H]2O 2239142913 WCWQXZTVSOYPEQ-SMDDNHRTSA-N 273.336 0.979 10 10 CCCE Cc1cccc(CNC(=O)[C@@H]2CC[C@H](O)CN2)c1O 2264585549 LATNPOXEGFUIIH-RYUDHWBXSA-N 264.325 0.430 10 10 CCCE CO[C@@H]1CCN(CCNC(=O)c2cccc(O)c2O)C1 2283040656 MKVPONDJKYQXJW-SNVBAGLBSA-N 280.324 0.548 10 10 CCCE c1cc(N2CCNCC2)ccc1CN[C@]12COC[C@H]1C2 2286072451 CCNXOQFCZLCTIW-GDBMZVCRSA-N 273.380 0.975 10 10 CCCE CCN(CCN=[N+]=[N-])C(=O)c1cn(C)c(=O)n1C 2315991950 FKOQLILNYFBEAY-UHFFFAOYSA-N 252.278 0.496 10 10 CCCE C[C@H](NC(=O)[C@]12CNC[C@H]1COC2)c1ccccc1O 870988197 IJTUXOYSNUUSTB-PGUXBMHVSA-N 276.336 0.805 10 10 CCCE Cc1cc(N2CC[C@@H]3C[C@H]2[C@@H](O)[C@@H]3O)ccc1CO 2332588343 BUKZQBZOIYIMRF-AQNFWKISSA-N 263.337 0.808 10 10 CCCE C[C@@H]1Cc2cc(N3C[C@@H]4C[C@H]3[C@H](O)[C@@H]4O)ccc2O1 2333686921 GDDIZGGDRJOXRV-QJTIQVHXSA-N 261.321 0.940 10 10 CCCE N[C@H](CCF)C(=O)N1CCc2cc(O)c(O)cc2C1 2341151342 CVRVGFWRSPXVRC-SNVBAGLBSA-N 268.288 0.669 10 10 CCCE C[C@H]1CN(c2ccc3c(c2)N(C)C(=O)[C@H]3N)C[C@@H]1O 2341298473 KJWUIEOICXMHSQ-HJIKLVIJSA-N 261.325 0.480 10 10 CCCE CN(C)c1ccc(CN(C)[C@](C)(CN)C(=O)O)cc1 2346485581 PEMRTJPVIUSKDJ-CQSZACIVSA-N 265.357 0.986 10 10 CCCE CCS(=O)(=O)NCCc1cc(O)c(O)cc1C 170268394 VTVDLRVBYNKFKO-UHFFFAOYSA-N 259.327 0.888 10 10 CCCE NC[C@H](C(=O)O)c1cc(O)c(O)c(Br)c1 211465640 YPCKWLWQOAPJGF-YFKPBYRVSA-N 276.086 0.987 10 10 CCCE COCC[S@](=O)CC(=O)N(C)c1ccc(N)cc1 40970445 PEDJBCDFIDWOKO-GOSISDBHSA-N 270.354 0.627 10 10 CCCE C[C@@H](N)c1ccc(N2CCO[C@@H](CO)C2)cc1O 221134889 PZESVZFBKCGMFY-MWLCHTKSSA-N 252.314 0.609 10 10 CCCE CN(C)C(=O)CN(C)c1ccc(CN)c(F)c1F 234225039 FKSRALSYLMOUGQ-UHFFFAOYSA-N 257.284 0.948 10 10 CCCE CC(C)(C)OC(=O)N1C(=O)[C@H](N=[N+]=[N-])C[C@@H]1C(N)=O 238145843 FMNFKSXDCMCETP-PHDIDXHHSA-N 269.261 0.687 10 10 CCCE C[C@H]1Cc2cc(N3CCC(N)(C(N)=O)CC3)ccc2O1 2162640619 STFXBPWJIXUNSA-JTQLQIEISA-N 275.352 0.793 10 10 CCCE Cc1cn(C)c(N(CC(N)=O)Cc2ccc(N)cc2)n1 2166612427 HUWLGYMUESPMLH-UHFFFAOYSA-N 273.340 0.803 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N(C)CCC(N)=O)c(Cl)cc21 723159017 VCXQNTSUGSUCKN-LBPRGKRZSA-N 296.758 0.864 10 10 CCCE CCN[C@H](c1ccc(N(C)C)cc1)C1(O)CS(=O)(=O)C1 2163139394 XMDVWRAGMGZTQK-CYBMUJFWSA-N 298.408 0.563 10 10 CCCE COc1cc(N)c(N2C[C@@H](O)C[C@H](OC)C2)cc1OC 2165322374 KEGWORKPAFYUIN-UWVGGRQHSA-N 282.340 0.872 10 10 CCCE CN(C[C@@]1(O)CCOC1)C(=O)c1ccc(O)c(O)c1 2129445286 NDSTVSQYFUZUDF-ZDUSSCGKSA-N 267.281 0.321 10 10 CCCE COC(=O)[C@@H]1CN(C)C[C@@H]1c1cccc(O)c1O 725393912 RSKANKGXMJHJBI-NXEZZACHSA-N 251.282 0.916 10 10 CCCE CO[C@H]1CCOC[C@H]1NC(=O)COc1ccc(N)cc1 724907522 DFFBCOCJFCBKHB-OLZOCXBDSA-N 280.324 0.568 10 10 CCCE C[C@@]1(C(=O)NCc2ccccc2O)CCCS1(=O)=O 907057791 XYAGXQCDFOJQEH-ZDUSSCGKSA-N 283.349 0.976 10 10 CCCE CCO[C@@H]1CN(Cc2cc3c(cc2O)OCO3)C[C@H]1CN 844906993 XYIBRNNTKBLNPF-IAQYHMDHSA-N 294.351 0.917 10 10 CCCE C[C@@H]1CCN(Cc2cc(O)n3ncc(C(=O)O)c3n2)C1 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2188028849 BRHXTEIGKXEBEU-LJWDBELGSA-N 276.336 0.930 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CCNC(=O)C23CC3)cc1 2188549762 ZBUUUHDIRNDYQD-UHFFFAOYSA-N 295.364 0.063 10 10 CCCE CS(=O)(=O)C1CC(NCCc2ccc(O)c(O)c2)C1 2091756514 SLBLAIBEXLUIAW-UHFFFAOYSA-N 285.365 0.806 10 10 CCCE Cc1cn(CCNC(=O)c2cc(O)c(O)c(O)c2)nn1 2188909594 MHTBCNPIIGUTMI-UHFFFAOYSA-N 278.268 0.133 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CCC[C@H]2NCC[C@@H]21 2188920991 AEBTWTMGPOOHPX-ZJUUUORDSA-N 278.308 0.770 10 10 CCCE O=C(NC[C@@H]1C[C@H]2C[C@H]2CO1)c1cc(O)c(O)c(O)c1 2188924978 TYRWGKDBYUKDGC-JEZHCXPESA-N 279.292 0.958 10 10 CCCE CO[C@@H](C(=O)O)C(=O)NCCc1ccc(N)cc1 2043952974 UTSIMMRYRKEPQW-SNVBAGLBSA-N 252.270 0.027 10 10 CCCE CN1CCc2cc([C@@H](N)C3CS(=O)(=O)C3)ccc21 2044711802 WXVFUFFZVHTVEW-CYBMUJFWSA-N 266.366 0.723 10 10 CCCE CCN[C@@H]1CCc2cc(N3CC(=O)NC(=O)C3)ccc21 2184720991 HJCSWZNYQQTRCX-CYBMUJFWSA-N 273.336 0.746 10 10 CCCE N[C@H]1C[C@H]2CC[C@@]1(C(=O)C(=O)C[C@H]1C[C@H](N)C1)C2 2049779789 BJWFCYWLYDWVKY-QEQCHAIRSA-N 250.342 0.770 10 10 CCCE CCOC(=O)[C@](C)(CS(C)(=O)=O)NCCN=[N+]=[N-] 2050968473 YHHNSKGBCYJJQM-VIFPVBQESA-N 278.334 0.253 10 10 CCCE CNC1CC(CNC(=O)c2cccc(O)c2O)C1 2053167499 WHMVBSBSJZTPMP-UHFFFAOYSA-N 250.298 0.826 10 10 CCCE N[C@@H]1[C@@H]2CCC[C@@H]2[C@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 2053218292 FFQWIBBEFXIZCC-IQJDENIRSA-N 250.342 0.625 10 10 CCCE C[C@H]1CNC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2068620785 JSURZUNUGDQJDF-XPUUQOCRSA-N 252.270 0.141 10 10 CCCE C[C@H](N)c1cc(F)c(N2CC(=O)NC(=O)[C@@H]2C)c(F)c1 2194697437 NWFRVIIHBAMINY-BQBZGAKWSA-N 283.278 0.836 10 10 CCCE Nc1ccc(OCC(=O)N2CCNCC3(CC3)C2)cc1 2191727858 TXXWILBRHHBXQY-UHFFFAOYSA-N 275.352 0.860 10 10 CCCE C[C@H]1C[C@H](N)CN1S(=O)(=O)CCOc1ccc(N)cc1 2191772900 WNHKAPGMRLLETC-JQWIXIFHSA-N 299.396 0.399 10 10 CCCE COc1cc(N)c(N2CCO[C@@H]3CNC[C@@H]32)cc1OC 2191893925 JGNTXWOPQMTGKS-SMDDNHRTSA-N 279.340 0.463 10 10 CCCE COC[C@@H]1CNCCN1C(=O)c1cccc(O)c1O 2088493440 CVNNKENXWDMRJZ-VIFPVBQESA-N 266.297 0.158 10 10 CCCE O=C(O)COC1CN(Cc2cc(F)cc(F)c2O)C1 2088562001 JWYQYHBREFUECN-UHFFFAOYSA-N 273.235 0.956 10 10 CCCE COc1ccc(CNC2CN(S(C)(=O)=O)C2)c(O)c1 2089190931 SJSLJUQQPRPWIQ-UHFFFAOYSA-N 286.353 0.134 10 10 CCCE O=[N+]([O-])c1ccc(N2C[C@H]3C[C@@]3(CO)C2)cc1CO 2090114632 WRZNXBXOYSPWIK-MFKMUULPSA-N 264.281 0.906 10 10 CCCE C[C@@H](O)c1ccc(N2CCOC[C@@H]2[C@@H](O)CO)cc1 2090137990 FLUOICDXLJUVST-HONMWMINSA-N 267.325 0.298 10 10 CCCE CCN[C@H]1C(=O)Nc2cc(N3CC(CO)C3)ccc21 2092541489 GKCLBRIVUHGFPP-CYBMUJFWSA-N 261.325 0.718 10 10 CCCE CC(C)CNC(=O)Cn1ccc2c(c1=O)CNCC2 2094407563 RMFKAGHEIXQRMW-UHFFFAOYSA-N 263.341 0.266 10 10 CCCE CO[C@H]1C[C@]2(C1)NC(=O)N(c1ccc(N)cc1)C2=O 2096261091 FSJSARZIHDCZGF-GSJFWJNXSA-N 261.281 0.873 10 10 CCCE Oc1cc2c(cc1CNC[C@H]1COC[C@@H]1O)OCO2 2097833734 FTZZSUJEEKFZGQ-ONGXEEELSA-N 267.281 0.218 10 10 CCCE CNCc1ccc(N2CC[C@@H](C(=O)NC)C2)cc1OC 2204558060 XOKZJPBHQIZQHA-GFCCVEGCSA-N 277.368 0.987 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1C[C@@H]2NCC[C@@H]21 2205653094 ZLHDWTMZZPEQNL-TUAOUCFPSA-N 276.336 0.755 10 10 CCCE CCCc1nc(=NC(=O)c2cccc(O)c2O)n(C)[nH]1 2205720597 SEZJLJLQMVAXRW-UHFFFAOYSA-N 276.296 0.853 10 10 CCCE [N-]=[N+]=N[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCCS1(=O)=O 2218739235 UGKQJLXCCATUAR-YIZRAAEISA-N 272.330 0.911 10 10 CCCE CN(C)c1ccc(OCC[C@](C)(N)C(N)=O)cc1 2221873714 FRBADRYLHQAFBO-ZDUSSCGKSA-N 251.330 0.724 10 10 CCCE COc1ccc(N2C[C@H](O)C[C@@H]2CN(C)C)c(CO)c1 2236000719 WTDQFIWSJYZVRO-CHWSQXEVSA-N 280.368 0.689 10 10 CCCE N=c1nnc(OCC2CCC3(CCNC3)CC2)n[nH]1 2226137551 SPTFYBGDOKXPIG-UHFFFAOYSA-N 264.333 0.228 10 10 CCCE COc1ccc(N2C[C@H](O)[C@H]3COC[C@@H]32)c(CO)c1 2227710019 APNZOCPJORAUHF-UBHSHLNASA-N 265.309 0.383 10 10 CCCE C[C@H](O)c1ccc(N2CC[C@@H]2[C@H](O)CO)cc1O 2258320140 DIJRXAWTPPHGLA-RLCGTCKNSA-N 253.298 0.377 10 10 CCCE COc1ccc(O)c(CN[C@@H]2C[C@@H](O)[C@@H]2OC)c1 2258672592 FKKMIJQZLAYQTL-RAIGVLPGSA-N 253.298 0.639 10 10 CCCE O=[N+]([O-])c1cc(CO)ccc1N1C[C@@H]2C[C@H](C1)[C@@H]2O 2270681608 YWTDNDLHGIEUGE-IWIIMEHWSA-N 264.281 0.904 10 10 CCCE N[C@@H]1[C@H]2C[C@@H]1CN(C(=O)c1cc(O)c(O)c(O)c1)C2 2270704490 ZNRVVAQNBCKMSV-VROVMSAKSA-N 264.281 0.223 10 10 CCCE C[C@H](c1cc(O)ccc1O)N1CCOC2(CNC2)C1 2272907595 FKILDLRLOOGRDK-SNVBAGLBSA-N 264.325 0.833 10 10 CCCE CSc1ncc(CN[C@@]2(C(=O)O)CN[C@H]2C)s1 2306088769 GKGCFDMJNPXKJP-WKEGUHRASA-N 273.383 0.770 10 10 CCCE C[C@@H](N)c1ccc(N2C[C@@H](O)C[C@H]2CO)cc1O 2313629286 RTQYVUBSCWZIDM-MIMYLULJSA-N 252.314 0.344 10 10 CCCE C[C@@H](O)c1ccc(N2CC([C@@H](O)CO)C2)cc1O 2315278159 JWPISQCDTVIFIZ-OQPBUACISA-N 253.298 0.235 10 10 CCCE COc1ccc(N(C)[C@@]2(C(=O)O)COC[C@H]2N)cc1 2348556469 BHCIXECZVFICFU-YPMHNXCESA-N 266.297 0.312 10 10 CCCE CN(C)c1ccc(/C=C\C(=O)N[C@H](CCO)C(=O)O)cc1 103923936 SSOAKWZARCDCTK-DMTLFAOVSA-N 292.335 0.718 10 10 CCCE O=C(NC1=NCCS1)c1cc(O)c(O)c(O)c1 29408472 NTBBUWBAFBYPGL-UHFFFAOYSA-N 254.267 0.636 10 10 CCCE CC(=O)N1CCN(c2ccc3c(c2)CC(=O)N3C)CC1 62093708 CFBNZSWKMSBNTO-UHFFFAOYSA-N 273.336 0.874 10 10 CCCE Nc1ccc(CC(=O)N2CCCN(CC(=O)O)CC2)cc1 61145161 RSXPNQWQUHIIIH-UHFFFAOYSA-N 291.351 0.430 10 10 CCCE C[C@@H](C(=O)Nc1ccc(N)cc1)N1CCC(C(N)=O)CC1 22162041 PILVBOYRKLNLRK-JTQLQIEISA-N 290.367 0.793 10 10 CCCE N[C@@H]1CCC[C@H]1CNC(=O)c1cccc(O)c1O 126832602 OURAWFLZLKHPQR-WCBMZHEXSA-N 250.298 0.955 10 10 CCCE CN1CCc2cc([C@H](O)C3(C(=O)O)CNC3)ccc21 1951448077 GMFBMEOBACHUEF-LBPRGKRZSA-N 262.309 0.387 10 10 CCCE Nc1ccc(CC(=O)N2CC[C@@H]3C[C@H]2[C@@H](O)[C@@H]3O)cc1 2357595594 VAFXKRPJXHLHAB-DZGBDDFRSA-N 276.336 0.154 10 10 CCCE C[C@H]1C[C@](NCCN=[N+]=[N-])(C(N)=O)CN1C1CC1 123453606 GLONTPULWZAMBR-GZMMTYOYSA-N 252.322 0.367 10 10 CCCE Nc1ccc(OCCC(=O)NCCCn2ccnn2)cc1 126038528 QWFXOPOAYIVVEX-UHFFFAOYSA-N 289.339 0.836 10 10 CCCE Nc1ccc2c(ccn2C[C@H](O)CN2CCOCC2)c1 312822889 CQSIIADURGSYKI-CQSZACIVSA-N 275.352 0.917 10 10 CCCE C[C@H](N)c1ccc(N2CCS(=O)(=O)CC2)cc1 36162032 ZMHRNYUIQAOHRM-JTQLQIEISA-N 254.355 0.941 10 10 CCCE C[C@H](NC(=O)c1cccc(O)c1O)[C@@H]1CCNC1 126100418 FCGABDOHUURWPC-DTWKUNHWSA-N 250.298 0.826 10 10 CCCE O=C(N[C@H](Cc1ccc(O)c(O)c1)C(=O)O)C1CC1 40225636 CSMVRQLASWXZCH-SECBINFHSA-N 265.265 0.620 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H]1CCC[C@@H](O)C1 40462088 JEUUKGUBCRDDBJ-TUAOUCFPSA-N 294.351 0.387 10 10 CCCE CC(C)(CC(N)=O)NC(=O)c1cccc(O)c1O 227069662 UHLILULPMGFKDT-UHFFFAOYSA-N 252.270 0.482 10 10 CCCE O=C(CN1C(=O)CSC1=S)NCc1ccccn1 82308343 FCJBQEJIDSVASF-UHFFFAOYSA-N 281.362 0.558 10 10 CCCE CCCC(=O)N1CCC[C@@H](C(=O)OCC(=O)C(C)=O)C1 808507656 RVIYSZYKCCJECO-LLVKDONJSA-N 283.324 0.726 10 10 CCCE COc1cc(C)c(N2C[C@@H](N)C[C@@H](C(N)=O)C2)cc1C 2162659795 NJJCJMRGGWGJGF-NEPJUHHUSA-N 277.368 0.951 10 10 CCCE Nc1ccc(NC(=O)CCN2CC=CCS2(=O)=O)cc1 2165846802 BALAJCCVRHKOJG-UHFFFAOYSA-N 295.364 0.799 10 10 CCCE Nc1ccc(CN2CC(N3CCN(C=O)CC3)C2)cc1 2162948637 RGEYWFIVFYGHSD-UHFFFAOYSA-N 274.368 0.227 10 10 CCCE CC(=O)C(=O)COC(=O)Cc1cn2cccc(C)c2n1 808516216 FBGAYNQZTLKYNB-UHFFFAOYSA-N 274.276 0.887 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)[C@H]1[C@H]2CC[C@H]1NC2 2163763688 CDDVLGSREHEUBY-WDMOLILDSA-N 276.336 0.755 10 10 CCCE COC(=O)[C@H]1CN(C)C[C@@H]1c1cccc(O)c1O 725393915 RSKANKGXMJHJBI-ZJUUUORDSA-N 251.282 0.916 10 10 CCCE CN1C(=O)[C@H](O)c2ccc(N3C[C@@H]4COC[C@@H]43)cc21 2129726221 MZRQDVQHXUTMST-OXHMUOHRSA-N 260.293 0.531 10 10 CCCE CCN(CC)CC[C@H](CO)NC(=O)c1cccc(O)c1O 848025693 ZQPHOYFJUPOAOU-LLVKDONJSA-N 296.367 0.920 10 10 CCCE CNCc1ccc(N2C[C@@H](O)C[C@H]2CO)c(Cl)c1 698173359 DROPVOFYLLEACR-QWRGUYRKSA-N 270.760 0.991 10 10 CCCE COc1ccc(N2CC[C@@H](N[C@H]3CNCCOC3)C2)cc1 925711907 FTRIQTGWGAEQIE-KGLIPLIRSA-N 291.395 0.852 10 10 CCCE Oc1c(Cl)cccc1CN1C[C@@H](O)C[C@@H](O)C1 775735316 LZJLGLARIZXULV-AOOOYVTPSA-N 257.717 0.973 10 10 CCCE COC(=O)C(=Cc1ccc(O)c(O)c1)C(=O)OC 216598467 QNKBJWDCXURMRB-UHFFFAOYSA-N 252.222 0.827 10 10 CCCE OC[C@H]1CN(c2ccc(CNC3CC3)cc2)C[C@@H]1CO 704809625 HDQQHSKIRRXFDG-ZIAGYGMSSA-N 276.380 0.976 10 10 CCCE N[C@@H]1CCCCCN(C(=O)c2cc(O)nc(O)c2)C1 709026819 HIWQRTWWZDIMTK-SNVBAGLBSA-N 265.313 0.836 10 10 CCCE O=C(N[C@@H]1CCN(C2CC2)C1=O)c1ccc(O)c(O)c1 709060101 OJSGLWKPRMPTLH-SNVBAGLBSA-N 276.292 0.591 10 10 CCCE CC(C)C[C@H]1COC[C@@]1(NCCN=[N+]=[N-])C(N)=O 716292712 OJYFFKYLJFJUFV-ONGXEEELSA-N 255.322 0.803 10 10 CCCE COc1ccc(CN2CCO[C@@]3(CCNC3)C2)c(O)c1 717409167 CJBCBCIQQXCBPQ-OAHLLOKOSA-N 278.352 0.965 10 10 CCCE CN1CC(=O)N(CCCOc2ccc(N)cc2)CC1=O 94469001 DFQMCUPSSLSQMO-UHFFFAOYSA-N 277.324 0.338 10 10 CCCE Nc1ccc(CC(=O)N2C[C@@H]3OC(=O)N[C@@H]3C2)cc1 2120406179 PSZITSWIFACSQH-MNOVXSKESA-N 261.281 0.131 10 10 CCCE COc1cc(Cl)cc(CN2C[C@H](O)C[C@H]2CN)c1O 2124716008 SLECXTUJGKKQTG-WDEREUQCSA-N 286.759 0.948 10 10 CCCE C[S@@](=O)C1CN(c2cc3c(cc2Cl)[C@@H](N)C(=O)N3)C1 2115314054 NBZBDFHCGDJKAS-NSPYISDASA-N 299.783 0.859 10 10 CCCE CCN[C@@H]1C(=O)Nc2cc(N3C[C@@H](O)[C@H]3C)ccc21 2126120637 VOWMGBACLIEQAH-WQHBLYJGSA-N 261.325 0.859 10 10 CCCE COc1ccc(N2CC[C@@H](CO)[C@H](N)C2)c(OC)c1 2122377039 CZQQQFNMUFEBLG-CMPLNLGQSA-N 266.341 0.850 10 10 CCCE CCOc1nc(=N)[nH]c(=NCc2ccccc2O)[nH]1 2117085965 LULSNLNAFGFOSQ-UHFFFAOYSA-N 261.285 0.422 10 10 CCCE 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[N-]=[N+]=NCCCN[C@]1(C(N)=O)CCO[C@]12CCOC2 1912197998 BDBUDZWYTBXJNU-QWRGUYRKSA-N 269.305 0.080 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N(CCO)C3COC3)c(Cl)cc21 1915546500 YAVCBZXHNNEFQY-LBPRGKRZSA-N 297.742 0.489 10 10 CCCE CC1(C)C(=O)NCCN1CCOc1ccc(N)cc1 110652542 GVJTWSLGIFQGET-UHFFFAOYSA-N 263.341 0.858 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N3CCNC(=O)[C@H]3C)ccc21 110658767 REPGVSUDSOJQRF-PRHODGIISA-N 274.324 0.224 10 10 CCCE CN1CCC[C@@](O)(CC(=O)NCc2cc(O)ccc2O)C1 1633598798 AXQVXEJUZHQJQA-OAHLLOKOSA-N 294.351 0.561 10 10 CCCE NCCCCNC(=O)/C=C\c1ccc(O)c(O)c1 13397373 KTZNZCYTXQYEHT-XQRVVYSFSA-N 250.298 0.966 10 10 CCCE endogenous,in-man COc1cc(N2CC[C@H](O)[C@@](C)(O)C2)ccc1CN 2139683424 VZXNRUBFNGTVTO-KBPBESRZSA-N 266.341 0.476 10 10 CCCE Cc1cccc(CNC(=O)CO[C@@H]2CCNC2)c1O 2139765814 YMQOGGHHWIDNSL-GFCCVEGCSA-N 264.325 0.695 10 10 CCCE COc1cc(N2C[C@H](CO)C[C@@H]2CO)ccc1CN 2139703689 BNAYNTGFRJUCRF-ZWNOBZJWSA-N 266.341 0.333 10 10 CCCE Nc1ccc(NC(=O)N[C@@H]2CCNC[C@@H]2CO)cc1 1876152492 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[N-]=[N+]=NCC1(CNC(=O)C2[C@H]3CS(=O)(=O)C[C@H]23)CC1 2117936423 PNTAZGWTLKJMHZ-YUMQZZPRSA-N 284.341 0.484 10 10 CCCE N[C@@H]1CN(C(=O)c2cccc(O)c2O)CC(F)(F)C1 2127775152 GIZBIELQRPLXKB-ZETCQYMHSA-N 272.251 0.906 10 10 CCCE O=C(NC1CC2(COC2)C1)c1cc(O)c(O)c(O)c1 2132392476 HKVQNQPFJOOKKG-UHFFFAOYSA-N 265.265 0.712 10 10 CCCE [N-]=[N+]=NC[C@H]1CCN(C(=O)[C@@H]2CCCS(=O)(=O)C2)C1 1912179644 WYRFTYQATUHOQT-NXEZZACHSA-N 286.357 0.970 10 10 CCCE COCCOCCCNC(=O)c1ccc(O)c(O)c1 226953052 MDNWDHCMYDDOKD-UHFFFAOYSA-N 269.297 0.881 10 10 CCCE O=C1CCN(C(=O)c2c(F)ccc(O)c2O)CCN1 1638284678 OHNHFQXAZDSWRY-UHFFFAOYSA-N 268.244 0.199 10 10 CCCE CCN(CC)c1ccc(CNC[C@@H](O)C(N)=O)cc1 228613586 JCTUAPDQVPHNLR-CYBMUJFWSA-N 265.357 0.469 10 10 CCCE O=C(O)[C@@H]1[C@@H](O)[C@@H](O)CN1Cc1c(O)cccc1Cl 2136102218 NLAVONNGECLMEU-DCAQKATOSA-N 287.699 0.036 10 10 CCCE C[C@@H]1CN(CC(=O)c2ccc(O)c(O)c2)CC(=O)N1C 1925982703 DSYPZUCWPBTILO-SECBINFHSA-N 278.308 0.443 10 10 CCCE C[C@@H](O)c1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CO)c(Cl)c1 2136283848 KBSKVSHGOCGCFK-HPXOCHMKSA-N 287.743 0.296 10 10 CCCE Nc1ccc(OCC(=O)N[C@H]2CCC[C@H]2CO)cc1 231228765 HEINCGOSNMCZOR-GWCFXTLKSA-N 264.325 0.925 10 10 CCCE Oc1cccc(CNCC2(O)CCOCC2)c1O 162320086 UHMPAMQLGAJOSQ-UHFFFAOYSA-N 253.298 0.729 10 10 CCCE CC(=O)C(=O)[C@]1(O)C[C@H]2[C@@H]1CCN2C(=O)OC(C)(C)C 1933963408 OCMIXQWBCXEUBL-BHDSKKPTSA-N 283.324 0.905 10 10 CCCE O=C1CCC(=O)N1CCNCc1ccc(F)cc1O 2139882885 WOCZETVKSNARNX-UHFFFAOYSA-N 266.272 0.770 10 10 CCCE COCCOCC(=O)N(C)Cc1ccc(N)cc1 234657468 DTAARZNWOOPYHZ-UHFFFAOYSA-N 252.314 0.890 10 10 CCCE CO[C@@H]1CN(CC(=O)Nc2ccc(N)cc2)C[C@H]1OC 234799319 BHKIQMZMHOHXRX-CHWSQXEVSA-N 279.340 0.553 10 10 CCCE CNC[C@H]1CN(C(=O)Nc2ccc(N)cc2)CCO1 1876153675 WTDAWVUTNWPSRG-LBPRGKRZSA-N 264.329 0.721 10 10 CCCE CN(CC1CNC1)c1cc2c(cc1N)NC(=O)CC2 1876366819 OBKSKIIOJNEQQS-UHFFFAOYSA-N 260.341 0.809 10 10 CCCE C[C@@H](CC[S@](C)=O)NC(=O)COc1ccc(N)cc1 127631448 KBUJYCYBNQUFDY-APBUJDDRSA-N 284.381 0.921 10 10 CCCE OC[C@H](O)CCNCc1ccc(N2CCOCC2)cc1 1963626956 AQPDHCXNIJXDLB-OAHLLOKOSA-N 280.368 0.356 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NC[C@H](CO)C(F)(F)F 1965110447 GSFYFEKXICAUTH-MRVPVSSYSA-N 293.241 0.927 10 10 CCCE C[C@@H]1CN[C@H](C(=O)NCCc2ccc(O)c(O)c2)CO1 1968739809 WZSRGCDWQPBNDG-KOLCDFICSA-N 280.324 0.133 10 10 CCCE CCN(C(=O)Cc1ccc(O)c(O)c1)[C@H]1CCNC1 1969330560 XGCZQHUDIGWNGT-NSHDSACASA-N 264.325 0.851 10 10 CCCE N[C@@H]1C[C@@H]2CN(Cc3cc(Cl)ccc3O)CCN2C1=O 1972665563 XJYDXSYUTTXQHM-VXGBXAGGSA-N 295.770 0.789 10 10 CCCE COc1cc(CN2CCNCC2)c(O)c(F)c1OC 258377499 BWSKDAGHFVUABU-UHFFFAOYSA-N 270.304 0.954 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@]12CCNC2 2144710319 GDVYBKUPZGAUAE-HNNXBMFYSA-N 276.336 0.995 10 10 CCCE CCN1CCN(c2ccc3c(c2)NC(=O)[C@H]3N)CC1=O 2158788123 XMYVXGUSVYJXQC-ZDUSSCGKSA-N 274.324 0.307 10 10 CCCE Cn1ccnc1N(CC(N)=O)Cc1ccc(N)cc1 50606985 OGTRBSWLNWJQBT-UHFFFAOYSA-N 259.313 0.494 10 10 CCCE COc1ccc(N(C)CCN[C@@H]2CCS(=O)(=O)C2)cc1 53434082 OBOOZIXVPHELQN-GFCCVEGCSA-N 298.408 0.908 10 10 CCCE O=C(N[C@@H]1CCNC[C@@H]1F)c1cccc(O)c1O 2029909581 QVIZDXUUGNUQML-DTWKUNHWSA-N 254.261 0.528 10 10 CCCE COC[C@H](N[C@H](C)c1cc(O)ccc1O)C(N)=O 2034939010 FXHBSMCTAIUBPG-XCBNKYQSSA-N 254.286 0.249 10 10 CCCE C[C@@H](CS(N)(=O)=O)NCc1cc(F)cc(F)c1O 2035452138 PHKQBVYTYVUYKO-LURJTMIESA-N 280.296 0.437 10 10 CCCE O=C(NCC[C@@H](F)C(=O)O)c1ccc(O)c(O)c1 2040612812 MARYCRKMZQOLSE-SSDOTTSWSA-N 257.217 0.640 10 10 CCCE Cn1cnc(CCNCc2ccc(O)c(O)c2O)c1 313250869 DPERISLQOGYMLA-UHFFFAOYSA-N 263.297 0.869 10 10 CCCE C[C@H](O)CN1CCN(C(=O)c2ccc(O)c(O)c2)CC1 2170222200 XXQIMVITKRYVAO-JTQLQIEISA-N 280.324 0.236 10 10 CCCE CO[C@](C)(CO)CNC(=O)CCOc1ccc(N)cc1 702506619 SLLDVUUAUBNNBA-AWEZNQCLSA-N 282.340 0.551 10 10 CCCE NCc1cc(F)c(N2CC[C@H](C(CO)CO)C2)c(F)c1 2170641836 OEWDSBXNJUIJHG-JTQLQIEISA-N 286.322 0.851 10 10 CCCE COc1cccc(CN[C@H]2CCOC[C@@H]2O)c1O 706772869 HFTTXGPIAQCJFR-QWRGUYRKSA-N 253.298 0.640 10 10 CCCE CN(CCO)CCN(C)c1ccc2c(c1)NC(=O)[C@@H]2O 691275000 XAOFIWMISFOBOG-CYBMUJFWSA-N 279.340 0.032 10 10 CCCE O=C1NCCC[C@H]1Oc1ccc(N2CCNCC2)cc1 691508314 BVBMOAFQSXYXGZ-CQSZACIVSA-N 275.352 0.754 10 10 CCCE C[C@@H]1C[C@@H](O)CN1C[C@@H](O)COc1ccc(N)cc1 385153515 QALIJSZVGGOGNY-RAIGVLPGSA-N 266.341 0.464 10 10 CCCE CCOC(=O)[C@@]1(NCCN=[N+]=[N-])CCN(CCOC)C1 393298961 WKVUZTVYPKMEBW-GFCCVEGCSA-N 285.348 0.540 10 10 CCCE C[C@H]1CSC[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 397996301 QLFBBRFNGCWAME-LSJOCFKGSA-N 296.392 0.835 10 10 CCCE C[C@H](C[S@@](C)=O)N(C)c1ccc2c(c1)N(C)C(=O)[C@@H]2N 398897759 ARMLOIQAHRORSY-DKXJTLLBSA-N 295.408 0.866 10 10 CCCE C[C@@H](C(=O)Nc1ccc(N)cc1)N1C[C@@H]2C[C@H](C1)C2O 2172928074 KPBGBJONEKWHKR-HGENXDRZSA-N 275.352 0.908 10 10 CCCE C[C@H]1C[C@@H]1N(CCO)CC(=O)N(C)c1ccc(N)cc1 2167107091 QRAKUCFCXUULHU-FZMZJTMJSA-N 277.368 0.934 10 10 CCCE O=C(O)[C@@H]1C[C@H]2CN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 2174299202 YGWLQTWBHJULIH-YIZRAAEISA-N 278.264 0.286 10 10 CCCE C[C@@H](C(=O)Nc1ccc(N)cc1)N1[C@H]2C[C@@H]1CN(C)C2 2187626593 LWDYXGQRFMXFTH-LEWSCRJBSA-N 274.368 0.984 10 10 CCCE CN(Cc1ccccc1O)c1ccc2nc(=N)[nH]n2n1 2192606590 WPXRUDREGJDOCC-UHFFFAOYSA-N 270.296 0.879 10 10 CCCE C[C@H](N)c1ccc(N2C[C@H](O)C[C@@H](O)C2)c(F)c1 2043128576 FQFQQXUVLLCFCK-JMJZKYOTSA-N 254.305 0.777 10 10 CCCE [N-]=[N+]=NCCCCN1CC[C@]2(C1)NC(=O)NC2=O 2051089455 YZBCCRDBPAWMGV-SNVBAGLBSA-N 252.278 0.361 10 10 CCCE COCc1ocnc1[C@@H](NCCN=[N+]=[N-])C(N)=O 2052705340 JGVDQNWMWDCPOZ-MRVPVSSYSA-N 254.250 0.247 10 10 CCCE COC(=O)c1cccc(N)c1N[C@@H](CO)[C@H](C)O 2053800008 NHFBMNSPWBRYMY-XVKPBYJWSA-N 254.286 0.209 10 10 CCCE CC1(C)[C@@H](O)C[C@]1(CO)NC(=O)c1ccc(O)c(O)c1 2193989514 IKPCMYUCQABZRI-SMDDNHRTSA-N 281.308 0.350 10 10 CCCE O=C(NCCC(F)(F)CO)c1cccc(O)c1O 2064934763 FLVMIGHXSSCYLK-UHFFFAOYSA-N 261.224 0.845 10 10 CCCE C[C@@H]1CN([C@@H](Cc2ccc(O)c(O)c2)C(=O)O)C(=O)N1 2191249226 ZPMYJCPLROXQIJ-APPZFPTMSA-N 280.280 0.507 10 10 CCCE COC(=O)[C@@]1(NCCN=[N+]=[N-])C[C@H](OC)[C@H](OC)C1 2109824948 FXSFEFIJXOSZCQ-JZYVYDRUSA-N 272.305 0.622 10 10 CCCE C[C@H](C(=O)Nc1ccc(N)cc1)N1CC(C)(CO)C1 2101059805 WBQGQUWSBKKBEF-SNVBAGLBSA-N 263.341 0.910 10 10 CCCE NC[C@@H]1CO[C@H](CNC(=O)c2cccc(O)c2O)C1 2101331789 NNDOATPAYKFGNY-BDAKNGLRSA-N 266.297 0.191 10 10 CCCE O=C(O)[C@@H]1C=CCN(C(=O)c2ccc(O)c(O)c2)C1 2103554689 VVJSHRCWXUZLDK-SECBINFHSA-N 263.249 0.811 10 10 CCCE COc1cc(N2C[C@@H](F)[C@@H](CO)C2)ccc1CO 2084017009 ODNBRHKGTHNKNG-ZYHUDNBSSA-N 255.289 0.954 10 10 CCCE COc1cc(N2C[C@H](O)C[C@@H]2CO)ccc1CN 2084011685 FJPOBJHUOHVLMH-VXGBXAGGSA-N 252.314 0.086 10 10 CCCE COc1cccc(O)c1CN[C@@H]1CN(C)C[C@H]1OC 2104442851 QVUGCNANUYKUNG-BXUZGUMPSA-N 266.341 0.819 10 10 CCCE COc1cccc(O)c1[C@H](C(=O)O)N1CCNCC1 2104438675 NWEVXZDGSVKBBT-GFCCVEGCSA-N 266.297 0.432 10 10 CCCE NCc1ccc(N2[C@H]3CC[C@H]2[C@@H](O)CC[C@@H]3O)cc1 2105073824 LRCUOCCBFKPRMZ-AJNGGQMLSA-N 262.353 0.998 10 10 CCCE CC(=O)N[C@@H](CN(C)Cc1ccc(N)cc1)C(=O)O 2106420177 FXOIOJWIRDBDNO-LBPRGKRZSA-N 265.313 0.290 10 10 CCCE CN(CCn1cnnn1)Cc1ccc(N(C)C)cc1 2087224426 RJOMOOWJNFBNHJ-UHFFFAOYSA-N 260.345 0.871 10 10 CCCE COc1ccc(N2C[C@H]3CS(=O)(=O)C[C@H]3C2)c(N)c1 2087857137 VNYVQTVBPCMXSR-AOOOYVTPSA-N 282.365 0.758 10 10 CCCE O=S1(=O)CC[C@H]2CN(c3ccc(CO)cc3F)C[C@H]21 2088785492 YPKYOTVWQIQVIB-GXFFZTMASA-N 285.340 0.941 10 10 CCCE O=C(c1cccc(O)c1O)N1CC[C@H](OCCO)C1 2109043286 OKIDIWCVYCABMP-VIFPVBQESA-N 267.281 0.321 10 10 CCCE CN(C)c1ccc(CNC(=O)CC[C@@H](O)CN)cc1 2110227288 OQZINVANCIMRCW-CYBMUJFWSA-N 265.357 0.469 10 10 CCCE C[C@H](NCc1ccc(O)c(O)c1O)c1ncnn1C 2097032738 CXNQBTSXWSIQDI-ZETCQYMHSA-N 264.285 0.783 10 10 CCCE COCC1(CNCc2cc3c(cc2O)OCO3)COC1 2203123127 OCMUWQRKKNIOOD-UHFFFAOYSA-N 281.308 0.874 10 10 CCCE CO[C@@H]1CN[C@H]([C@H](O)c2ccc(N(C)C)cc2)[C@H]1OC 2205463263 PNNRDQYECOBYMY-TUVASFSCSA-N 280.368 0.788 10 10 CCCE CS(=O)(=O)N1CC(CNCc2ccc(N)cc2)C1 2218012107 PTVPILCQHUBSSI-UHFFFAOYSA-N 269.370 0.250 10 10 CCCE Cn1nncc1S(=O)(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-] 2218745873 OCYOZLVHNVGCOT-RNFRBKRXSA-N 271.306 0.325 10 10 CCCE COc1ccc(N2CCN(C[C@H](C)O)CC2)c(CO)c1 2236000589 ARRIGQYOOLOGGB-LBPRGKRZSA-N 280.368 0.690 10 10 CCCE CN(C)c1ccc(O[C@@H]2CCN(CC(=O)O)C2=O)cc1 2237690534 YVXBBUYFGBOLIO-GFCCVEGCSA-N 278.308 0.817 10 10 CCCE COc1ccc(N2CCC[C@@H]2[C@H](O)CO)c(C=O)c1 2227696341 SCDZWSXTCZZHKB-ZIAGYGMSSA-N 265.309 0.830 10 10 CCCE COc1ccc(N2CCC(O)(CO)CC2)c(CO)c1 2227709377 SUZQQGPMXTZLFK-UHFFFAOYSA-N 267.325 0.511 10 10 CCCE COc1ccc(N2C[C@@H](OC)C[C@@H](O)C2)c(CO)c1 2227711892 UJPODCBBKHGCOK-YPMHNXCESA-N 267.325 0.774 10 10 CCCE Cc1cc(N2C[C@@H](CO)C[C@@H](CO)C2)ccc1CN 2228406091 YNXNWNAKNZHFRP-BETUJISGSA-N 264.369 0.881 10 10 CCCE CN(C)c1ccc([C@H](O)[C@]2(C(=O)O)C=CCN2)cc1 2228856422 MUZASLIYLDOLEK-JSGCOSHPSA-N 262.309 0.769 10 10 CCCE CC(C)N[C@@H](COc1ccc(N(C)C)cc1)C(N)=O 2229368639 DAZDRYCUSSZQKH-ZDUSSCGKSA-N 265.357 0.983 10 10 CCCE COc1ccc(N(C)[C@@H]2CS(=O)(=O)C[C@@H]2OC)cc1 2264363348 TXYMPOOZGWAFMS-OLZOCXBDSA-N 285.365 0.943 10 10 CCCE Cn1ccnc1CCNC(=O)c1cc(O)c(O)c(O)c1 1148591107 UUFCYNHZIJZUAM-UHFFFAOYSA-N 277.280 0.509 10 10 CCCE Cc1cc(O)ccc1NS(=O)(=O)[C@H]1CC[C@H]1N 2300762478 DUNPHOIVNGQSCB-KOLCDFICSA-N 256.327 0.932 10 10 CCCE CP(C)(=O)C[C@H](N)C(=O)NCc1ccccc1O 2313911468 ONISFZOGUIZAAE-JTQLQIEISA-N 270.269 0.958 10 10 CCCE CSc1cc(N2C[C@@H](O)C[C@@H]2CO)ccc1CN 2328545882 AIVOYYZVEDOENR-NEPJUHHUSA-N 268.382 0.799 10 10 CCCE CCOCCS(=O)(=O)NCc1cc(N)ccc1O 63153473 ZUYLPPARBSNQML-UHFFFAOYSA-N 274.342 0.430 10 10 CCCE Nc1ccc(OCC(=O)N2C[C@@H]3C[C@H](N)C[C@H]2C3)cc1 2357178842 ZUIRVKHCDCDWIZ-KGYLQXTDSA-N 275.352 0.986 10 10 CCCE C[C@@H]1C[C@@H](NC(=O)c2ccc(O)c(O)c2)CCN1 235393822 ZHKATZIDBCKJMC-SCZZXKLOSA-N 250.298 0.968 10 10 CCCE COc1cc(Cl)cc(CNC[C@@](C)(O)CO)c1O 229052962 RMQPJVVYQUBWEA-GFCCVEGCSA-N 275.732 0.887 10 10 CCCE C[C@H]1CO[C@@H](CO)CN1c1ccc2c(c1)N(C)C(=O)[C@@H]2N 131413497 YUXYOWAAIFAZEK-DRCTWCGVSA-N 291.351 0.249 10 10 CCCE C[C@H]1OCC[C@]1(O)CNCc1ccc(O)c(O)c1 228094729 YFGQJNFRCZBKNF-RNCFNFMXSA-N 253.298 0.727 10 10 CCCE CNC(=O)CCN(CCCN)c1ccc(OC)cc1 51757592 IHGYZIJJDGCDNO-UHFFFAOYSA-N 265.357 0.987 10 10 CCCE CN1CCc2cc([C@H](NN)C3(C)CS(=O)(=O)C3)ccc21 2163142532 GHTNJLJXGQRMPX-ZDUSSCGKSA-N 295.408 0.618 10 10 CCCE O=C(Nc1ccc(O)cc1C(=O)O)c1cc(O)ncn1 2165782682 BZUFVAYKPCSINW-UHFFFAOYSA-N 275.220 0.838 10 10 CCCE COC(=O)[C@H](C1CC1)S(=O)(=O)NCc1ccc(N)cc1 2167066395 YEQPDUBWIVYBMX-LBPRGKRZSA-N 298.364 0.640 10 10 CCCE CNC(=O)[C@@H]1COCCN1c1ccc(CN)cc1Cl 130128026 YBEZKLCJZCFJKQ-LBPRGKRZSA-N 283.759 0.750 10 10 CCCE CCNC(=O)CN(C)c1ccc2c(c1)NC(=O)[C@@H]2N 723165371 XBBGCBIZXVUELW-GFCCVEGCSA-N 262.313 0.211 10 10 CCCE Cn1ncc([C@@H](N)Cc2ccc(O)c(O)c2)c1C(=O)O 1952234346 PSWJSCXESVSIED-VIFPVBQESA-N 277.280 0.772 10 10 CCCE CN(Cc1ccccc1O)C(=O)C1=NO[C@@H](CN)C1 852817279 UQLXAWFTPBIVCE-SNVBAGLBSA-N 263.297 0.454 10 10 CCCE C[C@H]1C[C@H](O)CN1C(=O)Cc1ccc(O)c(O)c1 1953104075 WOJKTGFNFMXSBJ-WPRPVWTQSA-N 251.282 0.622 10 10 CCCE CO[C@H]1C[C@@](CO)(NC(=O)Nc2ccc(N)cc2)C1 1899895981 UEAVSXQNWOTNOJ-BJHJDKERSA-N 265.313 0.930 10 10 CCCE COC(=O)[C@@H]1C[C@H](O)CN1Cc1cc(F)cc(F)c1O 1350318981 ATBOFJFVFCJFAI-ONGXEEELSA-N 287.262 0.779 10 10 CCCE Cc1nn(CC(=O)N2Cc3cccc(O)c3C2)c(=O)n1C 871206049 PQLXEGHQKHAESP-UHFFFAOYSA-N 288.307 0.138 10 10 CCCE CN1CC[C@](O)(CC(=O)O)c2cc3c(cc21)OCCO3 84805609 IOHSIYFNNDDJSO-AWEZNQCLSA-N 279.292 0.960 10 10 CCCE Oc1ccc(CNCC23CCN(CC2)C3)c(O)c1O 715627900 YVZNIUUECOKQGF-UHFFFAOYSA-N 264.325 0.989 10 10 CCCE CN(CCCS(C)(=O)=O)c1ccc2c(c1)NC(=O)[C@H]2N 694152376 RTLPHBQKSWUXHF-LBPRGKRZSA-N 297.380 0.509 10 10 CCCE CNC(=O)[C@@H](C)N(C)C[C@@H](O)COc1ccc(N)cc1 1916819992 ZNSFEOBYCZLUCE-ZYHUDNBSSA-N 281.356 0.075 10 10 CCCE CC[C@H]1C(=O)NC(=O)CN1C(=O)Cc1ccc(N)cc1 97317575 FNDXLTGIQIUDRR-NSHDSACASA-N 275.308 0.075 10 10 CCCE CC[C@H]1C(=O)NC(=O)CN1C(=O)Nc1ccc(N)cc1 97321318 WQHTUWVMRFAFPP-JTQLQIEISA-N 276.296 0.538 10 10 CCCE C[P@@]1(=O)C[C@@H](NC(=O)c2ccc(O)c(O)c2)[C@@H](N)C1 2121478855 MSQRYNDPKDJGJU-JCULFZFRSA-N 284.252 0.530 10 10 CCCE CCOc1cccc(CN2C[C@H](OC)[C@H](N)C2)c1O 2122646441 BTPQBPOIGNIQSY-YPMHNXCESA-N 266.341 0.949 10 10 CCCE Cc1ccc(O)c(CN[C@@]2(C)CCC(=O)NC2=O)c1 2116209784 XJTYGCXGRIJCIS-AWEZNQCLSA-N 262.309 0.986 10 10 CCCE Nc1ccc(CCC(=O)NC[C@H](CO)C(=O)O)cc1 2131458142 FHWUPUPBJREULG-SNVBAGLBSA-N 266.297 0.011 10 10 CCCE O=C(N[C@@H]1CCCCNC1)c1cc(O)c(O)c(O)c1 2132399647 HFLVRDDXAMKXFT-SECBINFHSA-N 266.297 0.675 10 10 CCCE CC(C)NCCN(C)C(=O)c1cc(O)c(O)c(O)c1 2132403388 JKLNWXBPPHSIKL-UHFFFAOYSA-N 268.313 0.873 10 10 CCCE COc1cccc(CNC[C@H]2CN(C)CCO2)c1O 105470889 DRGQFTZDAVMUCO-LBPRGKRZSA-N 266.341 0.821 10 10 CCCE O=[N+]([O-])c1cc(CO)ccc1N1C[C@@H]2C[C@@H]2[C@H]1CO 1905821811 IBFMMUDPVFLCKT-OUJBWJOFSA-N 264.281 0.904 10 10 CCCE Nc1ccc(OCCC(=O)NC[C@@H]2C=CCN2)cc1 1905945638 APBYCEZAWGMDQK-LBPRGKRZSA-N 261.325 0.682 10 10 CCCE CC1(C(N)=O)CN(c2cc3c(cc2N)NC(=O)CC3)C1 1914189525 YQQGYHAOMZFCEC-UHFFFAOYSA-N 274.324 0.465 10 10 CCCE CC[C@H](O)c1ccc(N2CC(O)(C(N)=O)C2)cc1 1915230208 WGYNWFBTTRXWMB-NSHDSACASA-N 250.298 0.166 10 10 CCCE O=C(NCc1cc(O)ccc1O)[C@@H]1COCCO1 1455357523 SHFMSMSWAAWWLI-NSHDSACASA-N 253.254 0.129 10 10 CCCE CN1c2cc3c(cc2NC(=O)[C@H]1CC(=O)O)OCCO3 215808287 SOKOZDYJARDBKT-SECBINFHSA-N 278.264 0.689 10 10 CCCE C[C@@]1(CNC(=O)c2ccc(O)c(O)c2)CCNC1=O 2136085322 PAYCSRNOJIOLFY-ZDUSSCGKSA-N 264.281 0.354 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CCn4cnnc4C3)ccc21 113854738 NKXGDZIJZBNAQX-LBPRGKRZSA-N 270.296 0.250 10 10 CCCE CN(Cc1cn(C)nn1)C(=O)Cc1ccc(O)c(O)c1 1629482594 QKVLSSGQYUWMJD-UHFFFAOYSA-N 276.296 0.427 10 10 CCCE COC[C@@H](O)CCNC(=O)c1ccc(O)c(O)c1 227052008 CFKCVPBXFKSAKO-VIFPVBQESA-N 255.270 0.225 10 10 CCCE COC[C@@H](CO)NC(=O)c1ccc(N=NC(N)=O)cc1 1556443031 NDFPAHNOFHNCTA-SNVBAGLBSA-N 280.284 0.586 10 10 CCCE Cn1ccc(CC(=O)NCc2cc(O)ccc2O)n1 1637126129 MALHAPRIXZDFCA-UHFFFAOYSA-N 261.281 0.690 10 10 CCCE CC[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)NC 1638157247 QZYNUXMBGNBRHM-STUBTGCMSA-N 278.308 0.752 10 10 CCCE Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1C[C@H]1C(N)=O 1565701704 KWGRGOXSDJMZMK-OLZOCXBDSA-N 275.352 0.799 10 10 CCCE CCS(=O)(=O)N(C)CCNCc1ccc2c(c1)CCO2 1926357906 IRINNROGSPOKCJ-UHFFFAOYSA-N 298.408 0.993 10 10 CCCE Cn1nnc(CNCc2ccc(Cl)cc2O)n1 1659647827 RMVHIRRSWNHTAC-UHFFFAOYSA-N 253.693 0.859 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N(CCO)CC(F)F)cc21 231322711 MHOFYYHVBGSIQR-LBPRGKRZSA-N 285.294 0.727 10 10 CCCE O=C1CC[C@H](COc2ccc(N3CCNCC3)cc2)N1 231832225 WNRZFQYMIRKOHG-GFCCVEGCSA-N 275.352 0.754 10 10 CCCE O=C1C[C@H](CNC(=O)NCc2ccccc2O)CN1 1682000916 NMNUBTJKTUOJJX-VIFPVBQESA-N 263.297 0.328 10 10 CCCE Cc1cccc(CNC(=O)[C@](C)(N)C(C)(C)O)c1O 2139750909 NGLHQFUPMBWPCS-AWEZNQCLSA-N 266.341 0.805 10 10 CCCE CN(C)C[C@](C)(O)CNC(=O)Cc1ccc(O)c(O)c1 1295417447 AKFUVQYRCHLNJB-CQSZACIVSA-N 282.340 0.069 10 10 CCCE Oc1ccc(-c2nnc(N3CCNCC3)[nH]2)cc1O 236578580 MEKWOTCYUMCNOH-UHFFFAOYSA-N 261.285 0.293 10 10 CCCE Oc1ccc(-c2noc([C@H]3CNCCO3)n2)cc1O 236581793 DHOXVJPBGILYCH-SNVBAGLBSA-N 263.253 0.809 10 10 CCCE Nc1ccc(NC(=O)N[C@@H]2CCNC[C@H]2CO)cc1 1876152494 GWJNNMJYBYKWTM-JOYOIKCWSA-N 264.329 0.361 10 10 CCCE C[C@H]1CCN[C@@H]1CNS(=O)(=O)Cc1ccc(N)cc1 1876461166 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CN1CC[C@@H](CNC(=O)[C@H]2CNc3ccccc3N2)C1 300318627 GWPYIDYQRZVXRH-SMDDNHRTSA-N 274.368 0.961 10 10 CCCE CC[S@](N)(=O)=N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 404525782 SFGZAVCMPBZWSC-WPCRTTGESA-N 288.325 0.455 10 10 CCCE COc1cccc(O)c1CN1CCO[C@H]2[C@@H]1[C@H]2C(=O)O 2160722846 HOYPJPINGBCBFA-FRRDWIJNSA-N 279.292 0.685 10 10 CCCE COc1ccc(N2C[C@@H](OC)C[C@H]2CO)c(N)c1 310996108 MEQPMRCCXCCUIG-ONGXEEELSA-N 252.314 0.863 10 10 CCCE [N-]=[N+]=NCCCNS(=O)(=O)c1cncc([N+](=O)[O-])c1 311918213 DDUQXRRHFHNVEX-UHFFFAOYSA-N 286.273 0.969 10 10 CCCE CN1CC[C@H](N(C)c2ccc(CN)cc2F)C1=O 690221894 TZIKGMTZFFWURP-LBPRGKRZSA-N 251.305 0.951 10 10 CCCE C[C@@H]1[C@H](NC(=O)COc2ccc(N)cc2)CCS1(=O)=O 380357453 ADLUYUPXLRCXIG-BXKDBHETSA-N 298.364 0.339 10 10 CCCE COCCNCc1cc(F)c(N2CC(O)C2)c(F)c1 384171314 UHHKJDGRWGNJHW-UHFFFAOYSA-N 272.295 0.882 10 10 CCCE CCS(=O)(=O)NCCN[C@H]1CCc2cccc(O)c21 390102699 QOIHVDINTHZSFD-NSHDSACASA-N 284.381 0.908 10 10 CCCE NC(=O)N1CCN(c2ccc(CO)cc2F)CC1 721669702 KCGQREUWSMPRLJ-UHFFFAOYSA-N 253.277 0.519 10 10 CCCE Oc1ccc(CNCCN2CC=CC2)c(O)c1O 392778364 XNWFZONFLLZXAU-UHFFFAOYSA-N 250.298 0.765 10 10 CCCE NCC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)C1 723680217 RVNOGVQHOJHJRA-MRVPVSSYSA-N 251.286 0.304 10 10 CCCE C[C@@H]1CNC(=O)CN1c1cc2c(cc1F)[C@H](O)C(=O)N2 2181167694 MMWOPUCORDROOH-INWYIAFRSA-N 279.271 0.136 10 10 CCCE CCN(C(=O)COc1ccc(N)cc1)[C@H]1CCNC1=O 2171237898 RRTWTPUFQXRGJS-LBPRGKRZSA-N 277.324 0.385 10 10 CCCE Nc1ccc(CC(=O)N2C[C@@H]3C[C@H](C2)[C@@H](O)[C@H]3O)cc1 2182529397 IGHKGDSPOBMHQS-HGSJOUDDSA-N 276.336 0.011 10 10 CCCE CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@]1(O)CCNC1 2183277623 YORDFGSHCRENCR-OAHLLOKOSA-N 277.368 0.435 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CC[C@H](O)[C@@H]4CC[C@H]43)ccc21 2190251999 IBOSUJGETLRTEZ-ZZVYKPCYSA-N 273.336 0.988 10 10 CCCE COc1cccc(O)c1CNC[C@@H]1COC[C@@H]1O 2042572475 ZQPHYHIIWFVEGB-SKDRFNHKSA-N 253.298 0.498 10 10 CCCE Nc1ccc(OCCS(=O)(=O)N[C@H]2CC[C@@H](N)C2)cc1 2191641129 JRMHHNXHPQXEMH-NEPJUHHUSA-N 299.396 0.447 10 10 CCCE COC(=O)c1cccc(N)c1N[C@H]1CCNC[C@H]1OC 2191706006 FUFQASIFWKNJNQ-NWDGAFQWSA-N 279.340 0.844 10 10 CCCE Cn1ncc(CN)c1NC(=O)COc1ccc(N)cc1 2191895577 LJBVOXVBUGJSHY-UHFFFAOYSA-N 275.312 0.479 10 10 CCCE CC1(C)[C@@H](O)[C@@H](O)CN1c1ccc(CN)c(F)c1 2060876208 UGTYAOOJNVYIGI-RYUDHWBXSA-N 254.305 0.605 10 10 CCCE CN(CC(C)(C)N)C(=O)COc1ccc(N)cc1 2071703547 MEXDOHINZMYROS-UHFFFAOYSA-N 251.330 0.843 10 10 CCCE COCc1ncc([C@@H](NCCN=[N+]=[N-])C(=O)O)[nH]1 2078634539 WKBYBDNPWRQDOO-MRVPVSSYSA-N 254.250 0.582 10 10 CCCE Oc1ccc(CNC[C@@H]2CO[C@H]3COC[C@H]23)c(O)c1 2101839559 KNUQBLOCRGPOFD-QKCSRTOESA-N 265.309 0.849 10 10 CCCE C[S@](=O)(=NC(=O)c1ccc(O)c(O)c1)[C@H]1CCNC1 2102807734 VOPJCDNLJRQXEA-ZRNGKTOUSA-N 284.337 0.698 10 10 CCCE CS(=O)(=O)CNC(=O)NCCc1ccc(N)cc1 2082934096 DDSCFOQJKIACOS-UHFFFAOYSA-N 271.342 0.113 10 10 CCCE Cc1cccc(O)c1CN1CCO[C@@H]2[C@@H](C(=O)O)[C@H]21 2104508824 HUIOPZRKTSJARJ-YNEHKIRRSA-N 263.293 0.984 10 10 CCCE Cc1cccc(O)c1CNC[C@@H]1CN2CCN1CC2 2104508858 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10 CCCE O=C(c1cccc(O)c1O)N1CC(N2CCOC2=O)C1 2235451046 OJHNZBAUAAOGNU-UHFFFAOYSA-N 278.264 0.374 10 10 CCCE COc1ccc(N2C[C@@]3(CO)C[C@]3(CO)C2)c(CO)c1 2236002845 OKHZXMHEENGXQL-HUUCEWRRSA-N 279.336 0.369 10 10 CCCE O[C@@H]1C[C@@H](O)CN(c2ccc3c(c2)OCCCO3)C1 2226809803 DRDNTLAPPWPGMP-VXGBXAGGSA-N 265.309 0.780 10 10 CCCE CNCc1ccc(N2C[C@H]3C[C@@H](O)[C@@H](O)C[C@H]3C2)cc1 2236991958 ZIUAAAWHKRYJKZ-SDSIWUNFSA-N 276.380 0.974 10 10 CCCE Nc1ccc(O)c(CN2CC(N3CCOC3=O)C2)c1 2227407562 CAYKHMRPHBEEHA-UHFFFAOYSA-N 263.297 0.611 10 10 CCCE COC(=O)[C@@H](COc1ccc(N(C)C)cc1)NC(C)=O 2237688613 BJBNIYRHZZKVNW-CYBMUJFWSA-N 280.324 0.809 10 10 CCCE COc1ccc(N2C[C@@H]3C(C(N)=O)[C@H]3C2)c(CN)c1 2227682543 IMMAWBLIAAAOPD-QWRGUYRKSA-N 261.325 0.321 10 10 CCCE COc1ccc(N2CCN(C)[C@H](CO)C2)c(CO)c1 2227708903 NNXMUOMULMHHNU-LBPRGKRZSA-N 266.341 0.300 10 10 CCCE Cc1cc(CN)ccc1N1CC(O)(C(F)(F)CO)C1 2272891456 CCOWKKGKIFNSJP-UHFFFAOYSA-N 272.295 0.632 10 10 CCCE CO[C@@H](CO)CNCc1ccc2c(c1)CCN2C 2263474142 BYXTXSCQXLQVKZ-CYBMUJFWSA-N 250.342 0.776 10 10 CCCE N[C@@H]1C[C@@]2(NC(=O)c3cccc(O)c3O)CO[C@H]1C2 2266447147 RAJGAMHTGIBYLM-DVYJOKAKSA-N 264.281 0.086 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3CCC[S@@](=O)CC3)ccc21 322064640 VXLBTRNKCZFRLD-RNODOKPDSA-N 293.392 0.858 10 10 CCCE Cc1cc(N2CC3(CNS(=O)(=O)C3)C2)ccc1[C@H](C)N 2285131138 HKCBFPFEHMQRQS-NSHDSACASA-N 295.408 0.754 10 10 CCCE Cc1cc(N2CC3(C2)OC[C@H](O)[C@@H]3O)ccc1[C@@H](C)N 2285126694 ZYSPIVOEBYRPSD-SWHYSGLUSA-N 278.352 0.326 10 10 CCCE CNCc1ccc(N2CC([C@@H](O)CO)C2)c(Cl)c1 2315145874 DWJISKCBSNIGCN-ZDUSSCGKSA-N 270.760 0.849 10 10 CCCE OC[C@H](O)CNCc1cc(OC(F)(F)F)ccc1O 2335909764 LFFGMTJRZHSABH-MRVPVSSYSA-N 281.230 0.734 10 10 CCCE C[C@@H](O)c1ccc(N2C[C@@H]3OCCN(C)[C@@H]3C2)cc1O 2354131251 SYGIIABWLCLFID-YVLXSGLVSA-N 278.352 0.965 10 10 CCCE O=C(N[C@H]1C[C@@H](C(=O)O)[C@H]2C[C@H]12)c1cc(O)nc(O)c1 2354893861 QBPAJSRZGPZPDC-MAUMQABQSA-N 278.264 0.332 10 10 CCCE C[P@@]1(=O)C[C@@H](O)[C@H](NC(=O)Cc2ccc(O)c(O)c2)C1 2355665663 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AVKYVFDEZRNWPZ-UHFFFAOYSA-N 286.339 0.910 10 10 CCCE C[C@@]1(O)CCN(c2ccc3c(c2)CC[C@@H]3O)C[C@H]1O 1893332352 QOQGEFFCNAKONE-RRFJBIMHSA-N 263.337 0.988 10 10 CCCE COC(=O)[C@@H]1C[C@@H](O)CN1Cc1cc(F)cc(F)c1O 1350308908 ATBOFJFVFCJFAI-KOLCDFICSA-N 287.262 0.779 10 10 CCCE CCN(C)S(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1 274819293 RTMGUSHBRMRHQI-UHFFFAOYSA-N 275.286 0.909 10 10 CCCE C[C@H](O)c1ccc(N2C[C@H](O)C[C@@H]2CO)cc1O 704640519 IVEWIRKDIXVBSY-JMJZKYOTSA-N 253.298 0.377 10 10 CCCE O=C(c1cccc(O)c1O)N1CCS[C@H](CO)C1 720040342 WHABGEKSSSNRAC-QMMMGPOBSA-N 269.322 0.648 10 10 CCCE CN1CCN(CC(=O)N(C)c2ccc(N)cc2)CC1=O 84197980 UWMIAVJZWAGHIN-UHFFFAOYSA-N 276.340 0.006 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3CC[C@@H]3[C@@H](C)O)ccc21 2125809718 YDQNORGTAYYKMT-WQHBLYJGSA-N 261.325 0.859 10 10 CCCE CC(C)(NC(=O)c1cccc(O)c1O)[C@H](O)C(=O)O 2120354693 BMNWQNTVHIELGY-SECBINFHSA-N 269.253 0.052 10 10 CCCE Cc1cc(CO)ccc1N1C[C@@H]2C[C@H](C1)[C@@H](O)[C@H]2O 2126159257 PWQLJHFYJVTFAT-CUFDPUGPSA-N 263.337 0.665 10 10 CCCE COc1cc(N)c(N2CC[C@H](O)[C@@H](O)C2)cc1OC 2132139439 ZZOVMJNYKYHYET-QWRGUYRKSA-N 268.313 0.218 10 10 CCCE NC(=O)N[C@@H]1CCN(c2ccc3c(c2)CC[C@H]3N)C1 2128329412 UZUDCFKDLPCBBJ-ZWNOBZJWSA-N 260.341 0.880 10 10 CCCE CN[C@@H]1CCc2cc(N3C[C@@H](O)[C@@H](CO)C3)ccc21 2128312166 FAEJVRQLIBKOCB-KCPJHIHWSA-N 262.353 0.683 10 10 CCCE CO[C@@]1(C)C[C@H]2C[C@H]1C[C@@]2(NCCN=[N+]=[N-])C(N)=O 2128796744 SNESGTACRKOYTK-QCMRWSPLSA-N 267.333 0.945 10 10 CCCE CO[C@@H]1C[C@H](NC(=O)c2cccc(O)c2O)C[C@@H]1N 2130800185 QXODOURYKUUKIL-POZPLHJXSA-N 266.297 0.332 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N(CCO)C1CCC1 2132348564 OBKUKWUBBGGRQT-UHFFFAOYSA-N 267.281 0.790 10 10 CCCE [N-]=[N+]=N[C@H]1CCCN(CCN2CCCS2(=O)=O)C1 1912204268 VTTGNJPODWIECB-JTQLQIEISA-N 273.362 0.797 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCN(C(=O)c2c[nH]c(=O)cn2)C1 1912143120 AXOAFKVOQCFREA-QMMMGPOBSA-N 262.273 0.932 10 10 CCCE CN1C[C@@H]2[C@@H](CCC[C@@]2(NCCN=[N+]=[N-])C(N)=O)C1 1912165899 PYOJXCPYZROUAV-UMNHJUIQSA-N 266.349 0.472 10 10 CCCE CN(CCCN=[N+]=[N-])C[C@H]1CCN(S(C)(=O)=O)C1 1912173935 SPKHWMAUOXALEK-SNVBAGLBSA-N 275.378 0.900 10 10 CCCE CCS(=O)(=O)N(C)CCOc1ccc(N)cc1 1913848482 QEDKTSYVNYNPQE-UHFFFAOYSA-N 258.343 0.929 10 10 CCCE C[C@H]1CN[C@@H](CO)CN(c2ccc3c(c2)OCO3)C1 217097881 BYERUXHXNRDRNX-WDEREUQCSA-N 264.325 0.822 10 10 CCCE CON1CCN(c2ccc3c(c2)NC(=O)[C@H]3O)CC1 1915551505 SFWGOBKASMSNSP-LBPRGKRZSA-N 263.297 0.356 10 10 CCCE CON1CCN(c2cc3c(cc2N)OCC(=O)N3)CC1 1915780913 SOGYYAYMNDQXDO-UHFFFAOYSA-N 278.312 0.283 10 10 CCCE C[C@H](O)[C@H]1CCN(C[C@@H](O)COc2ccc(N)cc2)C1 226441683 MSOKMORXFLBVTD-SGMGOOAPSA-N 280.368 0.711 10 10 CCCE Oc1ccc(CNC[C@@]2(O)CCOC2)c(O)c1O 226761634 ZDWSUMVOPRPWQW-LBPRGKRZSA-N 255.270 0.044 10 10 CCCE CCC(=O)NC[C@@H](CO)NCc1ccc(OC)c(C)c1 1725520936 HIZAGWIMTJGBHQ-ZDUSSCGKSA-N 280.368 0.980 10 10 CCCE NC(=O)CCCNC(=O)Cc1ccc(O)c(O)c1 1595898839 KIUFMAZQFFWFGZ-UHFFFAOYSA-N 252.270 0.022 10 10 CCCE Cc1cccc(CNS(=O)(=O)C[C@H](C)C(=O)O)c1O 2139751640 TYVHIWMMUFSPFR-VIFPVBQESA-N 287.337 0.841 10 10 CCCE O=C(O)C1(CNCc2ccc3c(c2)CCO3)COC1 259091023 WCYIVIKPHAXGSL-UHFFFAOYSA-N 263.293 0.812 10 10 CCCE CC1(C)CN(C(=O)c2ccc(O)c(O)c2)C[C@@H](CN)O1 232806892 HIKMVKDECLHQFX-SNVBAGLBSA-N 280.324 0.676 10 10 CCCE CN(C(=O)c1ccc(O)c(O)c1)[C@@H]1COC[C@H]1C(=O)O 234312682 ODJZLBYNKIQCPZ-RKDXNWHRSA-N 281.264 0.269 10 10 CCCE COCC1(N)CC(NC(=O)Cc2ccc(N)cc2)C1 1876454449 UKLICNXEADCDMR-UHFFFAOYSA-N 263.341 0.434 10 10 CCCE Cc1nc(=N)[nH]cc1C(=O)NCc1ccccc1O 1963084717 JLRCFNSUAQHPMC-UHFFFAOYSA-N 258.281 0.833 10 10 CCCE N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1ccc(O)c(O)c1)C2 1973285744 NQTPDRSLXSDJQY-SRVKXCTJSA-N 276.336 0.979 10 10 CCCE OCC[C@H]1CN(c2c(F)cc(CO)cc2F)C[C@@H]1CO 2149906905 BLQRTXIGXZUDPO-WDEREUQCSA-N 287.306 0.884 10 10 CCCE CN(C)c1ccc([C@H](O)[C@H]2CCS2(=O)=O)cc1 1999512945 WTXJMEDPEKNWLF-NEPJUHHUSA-N 255.339 0.973 10 10 CCCE CN1CCC[C@@H](NC(=O)COc2ccc(N)cc2)C1 40671597 FKORYJBXKKYOAC-GFCCVEGCSA-N 263.341 0.858 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1C[C@H]2CC[C@]2(C(=O)O)C1 2151383298 GWMCDDLFYNYNJL-OQPBUACISA-N 278.264 0.430 10 10 CCCE COc1ccc(CN2C[C@H]3OCCN(C)[C@@H]3C2)c(O)c1 2154050619 NEFABYXCPHXGNS-UKRRQHHQSA-N 278.352 0.916 10 10 CCCE NN[C@H](c1ccccc1O)[C@@H]1CCCS(=O)(=O)C1 2029555485 JVCSBURJFHJZPN-SKDRFNHKSA-N 270.354 0.721 10 10 CCCE C[C@H](N[C@@H](CO)CCCO)c1ccc(O)cc1O 2029922268 KVAAXSRPULVCFB-VHSXEESVSA-N 255.314 0.882 10 10 CCCE O=C1Nc2cc(N3CC[C@H]3CO)c(F)cc2[C@@H]1O 2031680983 QFIZOCBYYBCZIW-KGFZYKRKSA-N 252.245 0.382 10 10 CCCE Oc1ccc(CN[C@@H]2[C@H]3CCOC[C@@H]32)c(O)c1O 2032744492 KYEOIKJRZOXUKT-ATZCPNFKSA-N 251.282 0.928 10 10 CCCE C[C@@H](CC1CNC1)NC(=O)c1cc(O)nc(O)c1 2034005279 XCTPIVYPAXAJOH-ZETCQYMHSA-N 251.286 0.221 10 10 CCCE CCCN(CC(N)=O)CC(=O)Nc1ccc(N)cc1 311694795 SXIOIWLKXQJKHW-UHFFFAOYSA-N 264.329 0.405 10 10 CCCE NCc1ccc(N2CCC[C@@](O)(CO)C2)c(F)c1F 313656698 QKZNCNLNNQWVPL-ZDUSSCGKSA-N 272.295 0.747 10 10 CCCE C[C@H](C(=O)Nc1ccc(N)cc1)N1CC[C@@](O)(CO)C1 313666188 PYRNBSJYPRCMEA-YGRLFVJLSA-N 279.340 0.025 10 10 CCCE CN1CCOC[C@H]1CNC(=O)COc1ccc(N)cc1 700243262 JESRIJZFDBEWIK-GFCCVEGCSA-N 279.340 0.094 10 10 CCCE CN(C)C[C@H]1C[C@@H](N)CN1C(=O)c1cccc(O)c1O 2178867116 KSSBKEOFVGKNHS-NXEZZACHSA-N 279.340 0.201 10 10 CCCE C[C@@H](NC[C@@]1(O)CCN(C)C1)c1cc(O)ccc1O 702644642 WXLQRACJWXIPES-YGRLFVJLSA-N 266.341 0.815 10 10 CCCE Oc1ccc(CNCCCCc2nn[nH]n2)cc1O 708182030 GSQRGTPGLFPSNN-UHFFFAOYSA-N 263.301 0.723 10 10 CCCE C[C@@H](NC(=O)c1ccc(O)c(O)c1)C1(CN)CC1 710154327 YHNBPZSYMJVKPP-MRVPVSSYSA-N 250.298 0.955 10 10 CCCE CN(C[C@H]1CCCS1(=O)=O)C(=O)Cc1ccc(N)cc1 694123785 WKWJDEVAUKPJMB-CYBMUJFWSA-N 296.392 0.847 10 10 CCCE C[C@@H]1[C@H](NCc2ccc(O)cc2O)CCS1(=O)=O 386537623 QLRCCSIZMHMBID-LDYMZIIASA-N 271.338 0.763 10 10 CCCE CC[C@@H](O)[C@@H](C)NS(=O)(=O)Cc1ccc(N)cc1 387342634 FJHBCVSVZCZYHN-BXKDBHETSA-N 272.370 0.848 10 10 CCCE C[C@H](CNCc1ccc(O)c(O)c1)S(C)(=O)=O 697620961 PNGTXPNVTUWFKE-MRVPVSSYSA-N 259.327 0.621 10 10 CCCE NCc1ccc(N2CCC[C@@](O)(C(N)=O)C2)cc1Cl 389190828 ODWAUNKBNKTVCL-ZDUSSCGKSA-N 283.759 0.615 10 10 CCCE CN1C[C@@H](CNC(=O)c2cccc(O)c2O)CC1=O 723389054 SZLZSJWTLXUFQR-MRVPVSSYSA-N 264.281 0.306 10 10 CCCE C[C@@H](NC[C@@H]1CN2CCN1CC2)c1c(O)cccc1O 394687687 HXEARWLEVVBWLI-VXGBXAGGSA-N 277.368 0.748 10 10 CCCE NCC1(O)CCN(Cc2ccc(O)cc2O)CC1 397107007 OXEAVGKQCSHCCG-UHFFFAOYSA-N 252.314 0.383 10 10 CCCE CN1C(=O)[C@H](O)c2ccc(N3C[C@H]4C[C@H](O)[C@H]3C4)cc21 2177184852 SMIMDGQFVDFAPU-ULTHFGNCSA-N 274.320 0.656 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCN(C(=O)[C@@H]2[C@@H]3CS(=O)(=O)C[C@@H]32)C1 2174579825 YVYRTRYGKRNDGB-MMWGEVLESA-N 298.368 0.826 10 10 CCCE C[C@H](Cn1ccnc1)NC(=O)c1cc(O)c(O)c(O)c1 2188868053 LERQFZGIGMWXRT-MRVPVSSYSA-N 277.280 0.818 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CC[C@H]1c1ncon1 2188912353 JQUOPJRFZDXOOR-ZETCQYMHSA-N 277.236 0.774 10 10 CCCE C[C@H](O)c1ccc(N2CC3(C2)OC[C@@H](O)[C@H]3O)c(F)c1 2183637438 BVXGQGCHAAXXGP-ZEGGKSINSA-N 283.299 0.190 10 10 CCCE CC(=O)c1cnc(Sc2nc(=O)c(=O)[nH]n2C)s1 2041817333 IDVJQJCTDSWHHE-UHFFFAOYSA-N 284.322 0.279 10 10 CCCE CO[C@@H]1CNCC[C@]1(O)c1ccc(N(C)C)cc1 2044718542 KDVBBSCOCNTIFZ-KGLIPLIRSA-N 250.342 0.949 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC=C(CO)CC1 2051394900 VMERJIJYEKBXNI-UHFFFAOYSA-N 250.254 0.257 10 10 CCCE COC[C@@H]1C[C@@H]1NS(=O)(=O)Cc1ccc(N)cc1 2054020016 WKPZAYCEXKFVID-JQWIXIFHSA-N 270.354 0.723 10 10 CCCE C[C@@H](O)C[C@@H]1COCCN1C(=O)c1cc(O)nc(O)c1 2185336506 FUENFAUMIRUYHO-PSASIEDQSA-N 282.296 0.105 10 10 CCCE Nc1ccc(CNC(=O)[C@]2(C(=O)O)CCCCO2)cc1 2190610821 ZPVJVYKTRGZBLY-AWEZNQCLSA-N 278.308 0.909 10 10 CCCE Nc1ccc(O)c(CN2CC[C@@]3(O)CCOC[C@@H]3C2)c1 2194576832 UPJJHYBVCZWWDU-SWLSCSKDSA-N 278.352 0.948 10 10 CCCE COC(=O)NCC1CN(C(=O)c2ccc(O)c(O)c2)C1 2187285980 LLJVDESFEKUCHN-UHFFFAOYSA-N 280.280 0.526 10 10 CCCE COc1ccc(CNC[C@H]2CCNC2=O)c(O)c1 2075993641 FMNFVRRKTAGESZ-SNVBAGLBSA-N 250.298 0.627 10 10 CCCE COC[C@@](O)(CO)CN[C@@H](C)c1ccc(F)cc1O 2102399164 LAGWQTUHQAUZJU-ZANVPECISA-N 273.304 0.552 10 10 CCCE C[S@@](=O)(=NC(=O)c1cccc(O)c1O)[C@@H]1CCNC1 2102806276 IUXOMEAGYBEITM-YLVJLNSGSA-N 284.337 0.698 10 10 CCCE CN(CCCN=[N+]=[N-])[C@@H]1CC(CO)(CO)C[C@H]1O 2085478790 FOCXJXWDSZIULA-NXEZZACHSA-N 258.322 0.113 10 10 CCCE N[C@H]1C[C@H]2C[C@H]1CN(C(=O)c1cccc(O)c1O)C2 2107291288 VIYCOGOLBSSPTH-YWVKMMECSA-N 262.309 0.907 10 10 CCCE Nc1ccc(OCCC(=O)N[C@H]2C[C@H](CO)C2)cc1 2090075969 UWWHHHPOUDNYKX-UMSPYCQHSA-N 264.325 0.925 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CC[C@H](CO)C1 2090016084 ZLFWFNFHOICGJF-WDEREUQCSA-N 265.309 0.918 10 10 CCCE O=C(N[C@@H]1[C@H]2CCCCN[C@H]21)c1cc(O)nc(O)c1 2090517361 KQKWCDMLHRKFNV-XXILOJSOSA-N 263.297 0.363 10 10 CCCE Nc1cc2c(cc1N1CC[C@@H](O)C[C@@H]1CO)OCCO2 2200832872 NKWGSKGAGALOSV-NXEZZACHSA-N 280.324 0.362 10 10 CCCE NCC1(CC(=O)C(=O)C[C@H]2C[C@H](N)C2)CCOCC1 2112571176 LWONXHUZGOKRRE-XYPYZODXSA-N 268.357 0.398 10 10 CCCE Cc1cccc(CNS(=O)(=O)C[C@@H]2CNC[C@@H]2C)c1O 2204626471 VPCLYURFWROSIY-AAEUAGOBSA-N 298.408 0.976 10 10 CCCE C[C@@H]1O[C@@H](C)C(=O)N(CCc2ccc(O)c(O)c2)C1=O 2207337658 AAEOAYYJUZDMHO-IUCAKERBSA-N 279.292 0.803 10 10 CCCE COc1ccc(N2CC(C[S@](C)=O)C2)c(CN)c1 2220417148 JQSJPJRRLKRDQZ-SFHVURJKSA-N 268.382 0.969 10 10 CCCE C[C@H]1CN(CCNCc2ccc(O)cc2O)C(=O)N1 2230841995 ZYSLCDVOHHQVTA-VIFPVBQESA-N 265.313 0.601 10 10 CCCE CNCc1cc(OC)ccc1N1CCC[C@H]1[C@@H](O)CO 2235954003 JERRQGONENIITR-GJZGRUSLSA-N 280.368 0.737 10 10 CCCE Nc1ccc(OCC(=O)N2CC[C@]3(O)C[C@@H]3C2)cc1 2265191453 WQXLFEBICQFTBL-YGRLFVJLSA-N 262.309 0.631 10 10 CCCE CN1C(=O)C(=Cc2ccc([N+](=O)[O-])o2)C(=O)NC1=S 2294510997 NTRKLJVIDXVFTF-UHFFFAOYSA-N 281.249 0.444 10 10 CCCE COC(=O)C1(NC(=O)CCOc2ccc(N)cc2)CC1 2283653273 DWLUUOMVVIJSPJ-UHFFFAOYSA-N 278.308 0.860 10 10 CCCE O=C(O)C1CN(C2CN(Cc3c(O)cccc3F)C2)C1 2284231592 RBYVMYSIWBMABO-UHFFFAOYSA-N 280.299 0.732 10 10 CCCE COc1cc(OC)c(N2CC[C@H]2[C@@H](O)CO)cc1OC 2289445160 BYYLFNYXZUQZIC-ONGXEEELSA-N 283.324 0.644 10 10 CCCE [N-]=[N+]=NCCNC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 2312333693 XWCXGNCYXRXMPC-XAVMHZPKSA-N 250.258 0.936 10 10 CCCE CNCc1ccc(N2C[C@@H]3C[C@H]2[C@H](O)[C@@H]3O)c(Cl)c1 2329331308 ZSDVEKVIERGCSL-WTDIUWLJSA-N 282.771 0.990 10 10 CCCE CN[C@@H](C)c1ccc(N2C[C@@H]3C[C@H]2[C@@H](O)[C@H]3O)cc1 2329326067 LTOUUONLLXERMU-AOOQXXKVSA-N 262.353 0.897 10 10 CCCE Cc1cc(CN)ccc1N1CC[C@@H]2C[C@H]1[C@H](O)[C@@H]2O 2332599291 OSVSYWQNRDBBFN-BEAPCOKYSA-N 262.353 0.774 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)[C@@H]2COC[C@H]2C(=O)O)C1 2338347481 IGUYAWKWGXUUJS-DJLDLDEBSA-N 268.273 0.492 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)[C@@H]1COC[C@@H]1C(=O)O 2338347650 JVOSFTVMGFMKFB-YIZRAAEISA-N 268.273 0.635 10 10 CCCE COCc1ncc([C@@H](NN)c2ccccc2O)n1C 2338639089 YTUPLKDUNATRCM-ZDUSSCGKSA-N 262.313 0.825 10 10 CCCE C[C@](O)(CNC(=O)c1cc(O)nc(O)c1)C1CC1 310808492 IDLJRHNEBYJJTG-LBPRGKRZSA-N 252.270 0.384 10 10 CCCE CN[C@H](Cc1nnn(C)n1)c1ccc(N(C)C)cc1 300267211 WDDCLRKLJQPJOX-GFCCVEGCSA-N 260.345 0.779 10 10 CCCE C[C@H]1CNC[C@H](C)N1C(=O)c1cccc(O)c1O 126677313 WIHKRVAOZBBGTH-IUCAKERBSA-N 250.298 0.920 10 10 CCCE C[C@@H]1C(=O)NCCN1c1ccc(CN)c(F)c1F 235720709 XFTODSSIJZKZOA-SSDOTTSWSA-N 255.268 0.748 10 10 CCCE Nc1ccc(OC[C@H](O)CN2C[C@@H]3CC[C@H](O)[C@H]3C2)cc1 252863506 LCPFUFFTVGWLCH-YOENINGUSA-N 292.379 0.711 10 10 CCCE CC[C@@H]1C(=O)NCCN1c1ccc2c(c1)NC(=O)[C@H]2NC 251661020 OAPWHLFXKKEVBC-OLZOCXBDSA-N 288.351 0.614 10 10 CCCE CC(=O)C(=O)COC(=O)C1(S(C)(=O)=O)CCCC1 808512676 QSWOJXNMGKNTEX-UHFFFAOYSA-N 276.310 0.045 10 10 CCCE CN(C[C@@H]1CCN1C)c1ccc2c(c1)NC(=O)[C@H]2O 2129905822 RXRTWKDNLPLWOR-GWCFXTLKSA-N 261.325 0.812 10 10 CCCE CN(C)CCCS(=O)(=O)NCc1c(O)cccc1F 921451691 UTFMUWGCTCCSFL-UHFFFAOYSA-N 290.360 0.902 10 10 CCCE COC(=O)[C@@H](O)C(C)(C)c1cc(O)c(O)c(OC)c1 1952721158 DNOXUHJTYJSGRQ-LLVKDONJSA-N 270.281 0.918 10 10 CCCE CCO[C@H]1COCC[C@@H]1CC(=O)OCC(=O)C(C)=O 869955621 DCKASTAGRWKRAD-PWSUYJOCSA-N 272.297 0.519 10 10 CCCE COc1ccc(CN2CCO[C@@H]([C@@H](C)N)C2)c(O)c1 132538907 UNCMIWTXDNBHSU-QMTHXVAHSA-N 266.341 0.949 10 10 CCCE COC(=O)C(C)(C)CNC(=O)Cc1ccc(O)c(O)c1 1545759844 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[N-]=[N+]=NCCN[C@]1(C(N)=O)CCC[C@@]23C[C@@H](CO2)[C@@H]31 1912151315 FZPRYDIBBMCULZ-FSZOTQKASA-N 265.317 0.699 10 10 CCCE CN(CCCN=[N+]=[N-])CC(=O)N(C)CC(=O)NC1CC1 1912182136 XZUZDBLWLWUZLC-UHFFFAOYSA-N 282.348 0.356 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 1912186496 DYGXFYHDQOONHN-QMMMGPOBSA-N 279.260 0.950 10 10 CCCE C[C@@H]1CN(C[C@@H](O)COc2ccc(N)cc2)CCO1 221866586 UBIIHFJCDPXROD-DGCLKSJQSA-N 266.341 0.729 10 10 CCCE CCOc1ccc(N2CCNC(=O)[C@@H]2CO)cc1 214565907 LHDJROUUCRYBLT-LBPRGKRZSA-N 250.298 0.382 10 10 CCCE CN(C[C@@H]1CNCCO1)c1ccc2c(c1)OCO2 214561756 WROWEKUADUWRLX-NSHDSACASA-N 250.298 0.840 10 10 CCCE C[C@@H]1CN(C)[C@H](CN)CN1c1ccc2c(c1)OCO2 216990670 ZHQYBIXWOOMGAB-ZYHUDNBSSA-N 263.341 0.883 10 10 CCCE C[C@@H]1CN(S(=O)(=O)Cc2ccc(N)cc2)CCN1C 110706197 OKPMGZMEDWWXNT-LLVKDONJSA-N 283.397 0.735 10 10 CCCE O=S(=O)(NCc1ccccc1O)c1ccn[nH]1 223292722 APPWYRZXFWDONV-UHFFFAOYSA-N 253.283 0.594 10 10 CCCE CN(CC(=O)NC1CC1)C(=O)c1ccc(O)c(O)c1 226953207 PECTVLNVARPJGZ-UHFFFAOYSA-N 264.281 0.448 10 10 CCCE C[C@H]1CNC[C@H](NC(=O)c2cc(O)nc(O)c2)C1 1922771716 MVGBHGNQPPCUCM-VXNVDRBHSA-N 251.286 0.221 10 10 CCCE C[C@@]1(O)CN(c2c(F)cc(CN)cc2F)CC[C@H]1O 2136844311 HVSLEGNJAAXVQD-DGCLKSJQSA-N 272.295 0.746 10 10 CCCE COc1ccc(CN2CC[C@](N)(C(=O)O)C2)c(O)c1 229200616 ROLMPVCRZLDHNL-CYBMUJFWSA-N 266.297 0.389 10 10 CCCE C[C@](O)(CO)[C@H]1CCN(c2ccc(CN)cc2F)C1 2138102888 MVPQBKZVFCEISJ-FZMZJTMJSA-N 268.332 0.854 10 10 CCCE C[C@@H](NC(=O)NCc1cc(N)ccc1O)S(C)(=O)=O 2138286935 IHHJQANDNRPUOC-ZETCQYMHSA-N 287.341 0.164 10 10 CCCE Cc1cccc(CN=c2ccc3nnnn3[nH]2)c1O 2139744057 SAZUBNDEBANFLD-UHFFFAOYSA-N 256.269 0.567 10 10 CCCE CC[C@H](N)CN(C)c1cc2c(cc1N)OCC(=O)N2 1876187012 UYEMVEUDZNQFGA-QMMMGPOBSA-N 264.329 0.773 10 10 CCCE Nc1ccc(OCC(=O)N2C[C@@H]3CC[C@@]3(N)C2)cc1 1876479145 DIPWGXOLKLLMMM-IINYFYTJSA-N 261.325 0.597 10 10 CCCE CCOC(=O)c1cccc(N)c1N[C@@H]1CNC[C@H]1O 1876503713 LPMGEKMIQLUQNY-GHMZBOCLSA-N 265.313 0.190 10 10 CCCE CCCN(Cc1ccccc1O)[C@@H]1CS(=O)(=O)C[C@@H]1O 2143455095 DIHLVHUDTMTUBI-OCCSQVGLSA-N 299.392 0.762 10 10 CCCE CN(C)C[C@@H](O)CN1CCOc2cc(N(C)C)ccc21 2143430368 BDDPLBMHBXSBQX-CYBMUJFWSA-N 279.384 0.874 10 10 CCCE CN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccc(O)c(O)c1 2143701101 SOBGASGCYMCOLQ-JTQLQIEISA-N 278.308 0.791 10 10 CCCE C[C@H]1CN(S(=O)(=O)Cc2ccc(N)cc2)C[C@H]1N(C)C 251921971 YBCBTNLCHIBZHX-SMDDNHRTSA-N 297.424 0.981 10 10 CCCE NCc1ccc(N2C[C@]3(CO)CC[C@]3(CO)C2)c(F)c1 2145747956 DTLSATDLUJAKCH-GASCZTMLSA-N 280.343 0.856 10 10 CCCE Cc1nnn(C)c1CNC(=O)CCc1ccc(N)cc1 2152396083 JHYCWRHPYHTECX-UHFFFAOYSA-N 273.340 0.955 10 10 CCCE C[C@@H](N)c1ccc(N(C)CC(CO)CO)cc1O 2033018820 NSILMFALXGDLHW-SECBINFHSA-N 254.330 0.449 10 10 CCCE C[C@H]1CN(S(=O)(=O)Nc2ccc(O)cc2)CCN1 2041587762 SRWMPQDAKZPQJT-VIFPVBQESA-N 271.342 0.343 10 10 CCCE COC(=O)NCCNC(=O)COc1ccc(N)cc1 308141690 IYMCQZNWWUUVCE-UHFFFAOYSA-N 267.285 0.120 10 10 CCCE Nc1cccc(C(=O)O)c1N[C@@H]1CCN(C2COC2)C1 2169579122 PQAKOTCDSZNJBA-SECBINFHSA-N 277.324 0.852 10 10 CCCE CN(C)C[C@@H]1CCN1c1ccc2c(c1)N(C)C(=O)[C@H]2O 2160846817 JPJOHOZEFIUAKD-FZMZJTMJSA-N 275.352 0.837 10 10 CCCE CN1CCN(CC(=O)c2ccc(O)c(O)c2)CCC1=O 688975070 FEWMQTAANMMTOQ-UHFFFAOYSA-N 278.308 0.445 10 10 CCCE Oc1ccc(CNCCCc2nn[nH]n2)c(O)c1O 392690607 VNDLPBPAZXWGQT-UHFFFAOYSA-N 265.273 0.039 10 10 CCCE Oc1ccc(CNC[C@H]2CN3CCN2CC3)c(O)c1 394775000 ZLFHFSYBNCYINS-LBPRGKRZSA-N 263.341 0.187 10 10 CCCE COc1cc(N)c(N2CC[C@@H](O)[C@@H](CO)C2)cc1OC 396866055 XZAMNMDYKCJALL-BXKDBHETSA-N 282.340 0.466 10 10 CCCE C[C@H](C(=O)Nc1ccc(N)cc1)N1CCOC[C@H](O)C1 399836999 AKZWRZIMAXVATG-ZWNOBZJWSA-N 279.340 0.289 10 10 CCCE Cc1cc(O)n2ncc(C(=O)N3CC(F)(F)C3)c2n1 2063339230 OMFAKTLRCTZZLZ-UHFFFAOYSA-N 268.223 0.834 10 10 CCCE CO[C@H]1C[C@H](CO)N(c2ccc3c(c2)NC(=O)[C@@H]3O)C1 2167203693 NIHRQAHDDLLAFS-GBIKHYSHSA-N 278.308 0.258 10 10 CCCE CN1CCN(c2cc3c(cc2N)OCCO3)[C@@H](CN)C1 2191562998 DDTJCYHQYZCSJS-JTQLQIEISA-N 278.356 0.119 10 10 CCCE Nc1ccc(CC(=O)N2C[C@]3(CCOC3)CC2=O)cc1 2191653033 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0.170 10 10 CCCE N[C@@H]1CCCC[C@H]1CNC(=O)c1cc(O)nc(O)c1 2087519102 HABJGIAEVQERLT-WCBMZHEXSA-N 265.313 0.740 10 10 CCCE Cn1c(O)nc(NCCc2ccc(N)cc2)cc1=O 2088251410 LGQCGIWINAOSQF-UHFFFAOYSA-N 260.297 0.723 10 10 CCCE CCOc1cccc(CN[C@H]2CN(C)C[C@@H]2O)c1O 2090332489 AIWSWTJYYUNBGS-RYUDHWBXSA-N 266.341 0.555 10 10 CCCE CC(C)(O)C1CC(NC(=O)c2cc(O)nc(O)c2)C1 2090630539 GUCYALUIHPVVPL-UHFFFAOYSA-N 266.297 0.772 10 10 CCCE CN(C)c1ccc([C@@H](O)[C@@H](N)c2ncn(C)n2)cc1 2091596916 AYXURBZNACGERV-VXGBXAGGSA-N 261.329 0.615 10 10 CCCE CN(Cc1ccc(N)cc1)C(=O)c1cn(C)c(O)n1 2092476737 ZRPSBOFFXVOMHI-UHFFFAOYSA-N 260.297 0.980 10 10 CCCE O=C(N[C@H]1CNC[C@@H](F)C1)c1ccc(O)c(O)c1 2219138803 OIVCQPPBZHXYDX-DTWKUNHWSA-N 254.261 0.528 10 10 CCCE COc1ccc(N2C[C@H]3C[C@H]2[C@@H](O)[C@@H]3O)cc1F 2219619147 JFJLNQSOLIJPMV-CHULRUDVSA-N 253.273 0.765 10 10 CCCE COc1cc(N2C[C@@H](O)C[C@@H]2CO)cc(OC)c1OC 2235133060 YFTSAZRMTAUFLI-MNOVXSKESA-N 283.324 0.644 10 10 CCCE COCC[C@H](N)CNC(=O)CCc1ccc(N)cc1 2225572131 VNHGRSXCLSEMOR-ZDUSSCGKSA-N 265.357 0.681 10 10 CCCE C[C@H](N)c1ccc(N2CC[C@](O)(CO)[C@@H](O)C2)cc1 2225727106 NBOIKVSAIYJEOA-BPNCWPANSA-N 266.341 0.001 10 10 CCCE COc1ccc(N2CCC[C@](O)(C(N)=O)C2)cc1F 2226794825 RQALSBLPWXPGEE-CYBMUJFWSA-N 268.288 0.651 10 10 CCCE COC[C@@](CN)(Oc1ccc(N(C)C)cc1)C(=O)O 2229374059 PJZZOYDUVKJNAY-CYBMUJFWSA-N 268.313 0.560 10 10 CCCE Cc1cc(N2CCN(CCO)C(=O)C2)ccc1[C@@H](C)O 2285150965 WZVHHFGULPSYSH-GFCCVEGCSA-N 278.352 0.689 10 10 CCCE CS(=O)(=O)CCSc1ncc(C(=N)NO)s1 2246272514 DVLIKFSQSIMTMP-UHFFFAOYSA-N 281.384 0.584 10 10 CCCE Cc1cc(N2C[C@H](O)C[C@@H](O)C2)ccc1[C@H](C)O 2257465487 PKCLKMNDQXTUIF-CYZMBNFOSA-N 251.326 0.980 10 10 CCCE CC1(NCc2ccc(N3CCNCC3)cc2)COC1 2270555631 QLWNHQNMRIIVMZ-UHFFFAOYSA-N 261.369 0.975 10 10 CCCE CC1(O)[C@H]2C[C@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 2270686855 AJCYPJYVHPTZEK-IUCAKERBSA-N 264.281 0.336 10 10 CCCE Cc1cc(N2CC(NS(C)(=O)=O)C2)ccc1[C@H](C)N 2269666085 NIGLKHFXCBARIJ-JTQLQIEISA-N 283.397 0.753 10 10 CCCE 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10 10 CCCE Cn1cc(CCNC(=O)CCc2ccc(N)cc2)nn1 2146816832 DIGAUCHIOUVSHL-UHFFFAOYSA-N 273.340 0.689 10 10 CCCE [N-]=[N+]=NC1CCN(S(=O)(=O)c2nc[nH]n2)CC1 2009220388 XLNDJGDKNITAKB-UHFFFAOYSA-N 257.279 0.268 10 10 CCCE O=C1Nc2cc(N3C[C@H](O)[C@H](F)C3)ccc2[C@H]1O 2031868739 BSLLGXLYTWTNSL-DVVUODLYSA-N 252.245 0.191 10 10 CCCE C[C@@H]1CN(c2ccc([C@@H](C)N)c(O)c2)C[C@@H](CO)O1 299959069 UCASWGZRPYHHSZ-FOGDFJRCSA-N 266.341 0.998 10 10 CCCE NCc1ccc(N2CCN3C[C@H](O)C[C@H]3C2)cc1F 405255987 KPWCJNVSWYVJHL-QWHCGFSZSA-N 265.332 0.540 10 10 CCCE COC(=O)C[C@@H](C)NCc1ccc(O)c(O)c1O 310786276 ABUUNFMDPWPGMA-SSDOTTSWSA-N 255.270 0.845 10 10 CCCE CCNCc1ccc(N2CC[C@@](O)(C(N)=O)C2)cc1 311845494 NJBSAIKMMPYAOZ-AWEZNQCLSA-N 263.341 0.223 10 10 CCCE C[C@H]1CN(C(=O)c2cc(O)nc(O)c2)CC[C@H]1C(=O)O 312670512 NLPYYSOHGVAIIK-IONNQARKSA-N 280.280 0.676 10 10 CCCE CN1C[C@@](NCCN=[N+]=[N-])(C(=O)O)CC12CCOCC2 2156883919 WSONYEMFOZBMDA-GFCCVEGCSA-N 283.332 0.594 10 10 CCCE [N-]=[N+]=NCCCNC(=O)CS[C@@H]1CCS(=O)(=O)C1 701315513 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COC(=O)[C@@H]1C[C@@H]1[C@@H](N)Cc1ccc(O)c(O)c1 1951700949 GNWSIYVZYLUUJD-AEJSXWLSSA-N 251.282 0.777 10 10 CCCE C[C@H](NC[C@@H](O)C[C@@]1(O)CCOC1)c1ccccc1O 931558636 WBFQRLWCUIINFK-HUBLWGQQSA-N 281.352 0.945 10 10 CCCE CC(=O)C(=O)COC(=O)Cc1cn2c(C)csc2n1 869982792 MUNPVIZBCSYDOZ-UHFFFAOYSA-N 280.305 0.948 10 10 CCCE CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1COC(=O)N1 773728121 ZHSLTJUJXWNCAN-GFCCVEGCSA-N 277.324 0.819 10 10 CCCE C[C@@H]1COCCN1C(=O)Cc1ccc(O)c(O)c1 1139312575 OSSLLZDFGMVXHL-SECBINFHSA-N 251.282 0.888 10 10 CCCE COc1ccc(O)c([C@H](C(=O)O)N2C(=O)C=CC2=O)c1 83578755 LHQDZRBWVPOENE-GFCCVEGCSA-N 277.232 0.452 10 10 CCCE C[C@@H](C(=O)O)[C@H]1NCCc2c1cc(O)c(O)c2O 75818791 VZQUMIIFDYEYFV-MLUIRONXSA-N 253.254 0.711 10 10 CCCE [N-]=[N+]=NCCNC(=O)c1cnc2n(c1=O)CCS2 701320016 WGDMSEDYBVXVPB-UHFFFAOYSA-N 266.286 0.389 10 10 CCCE CN(C(=O)c1cc(O)nc(O)c1)[C@@H]1CCC[C@@H]1O 708580512 PUPVBMLIUBTKAA-BDAKNGLRSA-N 252.270 0.478 10 10 CCCE CN(CCCN=[N+]=[N-])S(=O)(=O)C1CC2(C1)OCCO2 2246009341 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[N-]=[N+]=N[C@@H]1CCN(C(=O)C[C@H]2CCS(=O)(=O)C2)C1 1912197218 QBFUEWIIDVGYQF-RKDXNWHRSA-N 272.330 0.722 10 10 CCCE CC(C)C[C@H](NC(N)=O)C(=O)N(C)CCN=[N+]=[N-] 1912145734 KQVHKNGHNGZUIV-QMMMGPOBSA-N 256.310 0.838 10 10 CCCE COCC1(NCc2cc3c(cc2O)OCO3)COC1 2132740824 KQLFRJBRYBNHRZ-UHFFFAOYSA-N 267.281 0.626 10 10 CCCE Nc1ccc(OCCS(=O)(=O)NC[C@H]2CCO2)cc1 2132958276 BIUHTVUMQQHUBO-GFCCVEGCSA-N 286.353 0.356 10 10 CCCE CS(=O)(=O)Cc1noc(COc2ccc(N)cc2)n1 111338723 UKAAHGXKLNTFPZ-UHFFFAOYSA-N 283.309 0.775 10 10 CCCE C[C@](CO)(NC(=O)c1cccc(O)c1O)C1CC1 1545748330 YTJXLJODKRTFJH-CYBMUJFWSA-N 251.282 0.989 10 10 CCCE O=C(c1cccc(O)c1O)N(CCCO)CCCO 1922161534 GKYLURDJADLLHB-UHFFFAOYSA-N 269.297 0.305 10 10 CCCE O=C(O)[C@H]1C[C@H](O)CN(Cc2c(O)cccc2F)C1 2136354060 YBQJIGBHSJIFRS-IUCAKERBSA-N 269.272 0.799 10 10 CCCE CCN[C@H]1COC[C@@H]1C(=O)NCc1ccccc1O 228423389 LMRVDOFXJLKLRC-RYUDHWBXSA-N 264.325 0.633 10 10 CCCE COCCNC(=O)[C@H](C)NCc1ccc(O)cc1O 228992646 QPFKTZXYWUVTFL-VIFPVBQESA-N 268.313 0.339 10 10 CCCE C[C@H]1CN(CC(=O)Nc2ccc(N)cc2)C[C@@H](CO)O1 229947229 ICCNHZQVDDMPED-GWCFXTLKSA-N 279.340 0.289 10 10 CCCE COC[C@H]1C[C@@H](O)CN1C(=O)Cc1ccc(O)c(O)c1 1583645628 LCAFBQRZOIINTB-GHMZBOCLSA-N 281.308 0.249 10 10 CCCE Nc1ccc(CC(=O)NC2(CO)CCOCC2)cc1 230727717 GBPDGODILFBWDN-UHFFFAOYSA-N 264.325 0.469 10 10 CCCE Cc1cccc(CNC(=O)[C@]2(C)CNC(=O)C2)c1O 2139761332 GTSPWOXFMGPTAD-AWEZNQCLSA-N 262.309 0.843 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CCN2CCC1CC2 1148584006 KLNXJXPRXYZKFW-UHFFFAOYSA-N 278.308 0.724 10 10 CCCE COCC(O)(CNCc1ccc(F)c(F)c1O)COC 1875696648 LQFIKXCRKUGZGF-UHFFFAOYSA-N 291.294 0.784 10 10 CCCE COc1cc(N)c(N(C)[C@@H]2[C@@H]3CNC[C@@H]32)cc1OC 1876265874 PCYNMHYPQFRUKF-ICCCGROCSA-N 263.341 0.940 10 10 CCCE CCc1nc(=NC(=O)c2cccc(O)c2O)n(C)[nH]1 1963205465 CZVHGDTYALANGG-UHFFFAOYSA-N 262.269 0.463 10 10 CCCE [N-]=[N+]=NCCCCN1CCNC(=O)[C@]12CCCNC2 1879804718 WQQBIDDTDLQHBU-GFCCVEGCSA-N 266.349 0.631 10 10 CCCE O=C(NCCOCCCO)c1cccc(O)c1O 1322535102 LJHTUTNPFQWOAA-UHFFFAOYSA-N 255.270 0.227 10 10 CCCE Nc1ccc(CC(=O)N[C@@H]2CCNC[C@H]2F)cc1 1964425657 MTQANRJIHGRKCT-VXGBXAGGSA-N 251.305 0.628 10 10 CCCE Nc1ccc(NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@H]3C2)cc1 2144169374 MCMHPYUUTFVKFP-UWVGGRQHSA-N 295.364 0.777 10 10 CCCE CO[C@H]1CN[C@@H](CNC(=O)Cc2ccc(O)c(O)c2)C1 1972316169 RSGMZJBOKHMVLF-GHMZBOCLSA-N 280.324 0.133 10 10 CCCE CN(C)CC[C@H](NC(=O)Cc1ccc(N)cc1)C(=O)O 2144840101 MMBXSNGRWYJBPF-LBPRGKRZSA-N 279.340 0.332 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC[C@H](CO)C(F)(F)C1 2146377031 HZILMRSOLNPYJZ-MRVPVSSYSA-N 288.250 0.583 10 10 CCCE N[C@H]1CC12CCC(NC(=O)c1cc(O)nc(O)c1)CC2 2146634611 VQHOQRQYTKDTEO-XIRUVYRFSA-N 277.324 0.883 10 10 CCCE CN([C@H]1CCN(Cc2cc(N)ccc2O)C1)S(C)(=O)=O 2146920610 VNMYSZCQJJYULN-LBPRGKRZSA-N 299.396 0.440 10 10 CCCE Cc1cc(C)nc(Cn2ccc3c(c2=O)CNCC3)n1 2150798798 YNSTZYAZSXRZJR-UHFFFAOYSA-N 270.336 0.949 10 10 CCCE Nc1ccc(CN[C@H]2[C@H]3CS(=O)(=O)C[C@H]32)cc1 2006195161 SUUIIQKUHBEJED-ZSBIGDGJSA-N 252.339 0.401 10 10 CCCE NC(=O)C(F)(F)CNCc1ccc(O)c(O)c1O 2029287397 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CCCN[C@@H](C)c1ccc(N2CC(O)(CO)C2)cc1O 2171959194 HSNMYRMZPVEZHO-NSHDSACASA-N 280.368 0.996 10 10 CCCE Nc1ccc(OCCCN2C[C@H](O)C[C@@H]2CO)cc1 698230103 UNGLDHWWUFIFLD-CHWSQXEVSA-N 266.341 0.465 10 10 CCCE C[C@](C[C@@H]1CCOC1)(NCCCN=[N+]=[N-])C(N)=O 709773877 PWWBSNCOUODZQE-GXSJLCMTSA-N 255.322 0.947 10 10 CCCE CN(C)c1ccc(CNC(=O)[C@H](F)C2(O)CNC2)cc1 2172287468 RTUZVRNEKQPBJS-LBPRGKRZSA-N 281.331 0.041 10 10 CCCE COC(=O)CS(=O)(=O)N1CCC[C@H]1CN=[N+]=[N-] 692806591 NJOIKFZMXFYFGP-ZETCQYMHSA-N 262.291 0.264 10 10 CCCE COC[C@@](C)(O)CNC(=O)CCOc1ccc(N)cc1 382587428 XXGMKRPHQIWLNE-AWEZNQCLSA-N 282.340 0.551 10 10 CCCE CCOc1cccc(CN[C@@H]2CCNC2=O)c1O 693938593 MVWHJYZAONKEAO-SNVBAGLBSA-N 250.298 0.769 10 10 CCCE C[C@@H]1CN(c2ccc(CN)c(F)c2F)CC(=O)N1 387329892 SAPCYYAXIMSFKO-SSDOTTSWSA-N 255.268 0.748 10 10 CCCE Cn1cc(CNS(=O)(=O)Cc2ccc(N)cc2)nn1 389828675 VSBFEIZRDHEDPF-UHFFFAOYSA-N 281.341 0.017 10 10 CCCE Oc1ccccc1CNC[C@H]1CN2CCCN1CC2 394688270 IKDQKBJRUYHPGH-AWEZNQCLSA-N 261.369 0.872 10 10 CCCE CN1CCC(O)(CNCc2ccc(O)c(O)c2O)CC1 397498259 DGPVVZMCAYALHU-UHFFFAOYSA-N 282.340 0.350 10 10 CCCE C[C@@H](NC(=O)COc1ccc(N)cc1)c1nc(=O)o[nH]1 2177833330 SHKJWOLBBAXJFD-SSDOTTSWSA-N 278.268 0.201 10 10 CCCE COc1ccc(O)c(CN2C[C@H](CC(=O)O)[C@@H](O)C2)c1 2174353198 XVKBXWWGWMNCLG-GWCFXTLKSA-N 281.308 0.668 10 10 CCCE CCCN[C@H](c1ccccc1O)[C@@H](O)c1nnnn1C 2196242088 XLSLKJJNFVANFD-VXGBXAGGSA-N 277.328 0.690 10 10 CCCE COc1cc(N2CCOC[C@@H]2CN)cc(OC)c1OC 2181941967 HJCPXZBJAHNXPP-NSHDSACASA-N 282.340 0.876 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N3C[C@@H]4[C@H](CO)[C@@H]4C3)cc21 2182050360 KHOJNNCLKFYENY-OPDFLTKYSA-N 273.336 0.337 10 10 CCCE N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(O)c1O)C2 2189063016 AIXKDSUIOWBKHO-BZBKMWRSSA-N 278.308 0.144 10 10 CCCE COc1cc(Cl)cc(CN[C@H](CO)[C@@H](C)O)c1O 2053799523 HSYXJXMFBCIOKI-GMSGAONNSA-N 275.732 0.886 10 10 CCCE CCOC(=O)[C@]1(NCCN=[N+]=[N-])CC(=O)N(C)C1 2068221889 XXTSHJJZVVVZGB-JTQLQIEISA-N 255.278 0.050 10 10 CCCE CC1(C)C[C@@H](O)[C@@H](O)CN1Cc1ccc(N)cc1 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O=C1CC[C@H]2CN(C(=O)c3cc(O)nc(O)c3)C[C@H]12 2092949890 QHYSMXASFMJPIS-CBAPKCEASA-N 262.265 0.544 10 10 CCCE CN1CCC[C@@H](Cn2ccc3c(c2=O)CNCC3)C1 2094403724 BQHFDCIYNUWYEL-GFCCVEGCSA-N 261.369 0.836 10 10 CCCE CN(C)CCN(CCN)C(=O)c1cccc(O)c1O 2099355601 NOFIOJCVVNIPHC-UHFFFAOYSA-N 267.329 0.060 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N3C[C@@H]4C[C@@]4(CO)C3)cc21 2200841801 LGXBHNQUJBNPNN-FGEZKYSXSA-N 273.336 0.481 10 10 CCCE CNCc1ccc(N2CC(O)(C(=O)OC)C2)cc1OC 2204550921 UCZHBNFZAANTBM-UHFFFAOYSA-N 280.324 0.139 10 10 CCCE COc1cc(N2C[C@H]3C[C@H]2CN3C(N)=O)ccc1CO 2204549278 RXNSVSCALPWEHX-NWDGAFQWSA-N 277.324 0.529 10 10 CCCE COC(=O)C1(O)CN(c2ccc([C@H](C)O)c(C)c2)C1 2269673422 KZYUUFJVEHYASZ-JTQLQIEISA-N 265.309 0.772 10 10 CCCE Cn1nccc1S(=O)(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-] 2218739906 HJOWBTFBHVAOMS-YUMQZZPRSA-N 270.318 0.930 10 10 CCCE CC(C)(C)OC(=O)NC1(COc2nnc(=N)[nH]n2)CCC1 2209559637 FZDXUUXPRIEBBH-UHFFFAOYSA-N 296.331 0.505 10 10 CCCE COc1ccc(N2CC(N(C)C3COC3)C2)c(CO)c1 2236001017 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CN(CC1COC1)c1cc2c(cc1F)[C@@H](O)C(=O)N2 2269783614 RYTXOBQKAJJMAZ-GFCCVEGCSA-N 266.272 0.894 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1C[C@@]12C[C@@H]2C(=O)O 2283286805 CLEZPRDCTISAPI-XPLICSAQSA-N 277.276 0.620 10 10 CCCE C[C@@H](O)[C@@H]1C[C@H]1NCc1cc2c(cc1O)OCO2 2296534435 AEFOUIFBBCUKLR-FKTZTGRPSA-N 251.282 0.980 10 10 CCCE CCNCC(=O)N1CCc2cc(O)c(O)cc2C1 2318622170 NMKHOXCBOXNLOO-UHFFFAOYSA-N 250.298 0.592 10 10 CCCE O=C(N[C@H]1C[C@@]2(C(=O)O)C[C@@H]12)c1ccc(O)c(O)c1 2329365142 ZFFNJTWBHYEEGJ-UPFKWVMWSA-N 263.249 0.691 10 10 CCCE COC(=O)[C@@]1(NCCN=[N+]=[N-])C[C@H]2[C@@H]3CC[C@@H](O3)[C@H]21 2331785864 HZGUNAKUBRQSQE-GOVZDWNOSA-N 266.301 0.995 10 10 CCCE CC[C@@H]1C(=O)NCCN1c1cc2c(cc1N)OCC(=O)N2 110680054 ZCLAXKJFNOFXLI-SNVBAGLBSA-N 290.323 0.315 10 10 CCCE Cc1cc(NS(=O)(=O)CS(C)(=O)=O)ccc1O 130147297 KXSDZHLEUGDWBD-UHFFFAOYSA-N 279.339 0.444 10 10 CCCE CC(=O)N[C@H]1CCN([C@@H](C)C(=O)Nc2ccc(N)cc2)C1 133818099 XVMILYXXOPVLBJ-HZMBPMFUSA-N 290.367 0.806 10 10 CCCE CNC[C@@H]1CN(Cc2cc(F)ccc2O)CCO1 234375518 FPRHFRMIPZFCFM-GFCCVEGCSA-N 254.305 0.952 10 10 CCCE CO[C@@H]1CCOC[C@@H]1NC(=O)COc1ccc(N)cc1 724907523 DFFBCOCJFCBKHB-QWHCGFSZSA-N 280.324 0.568 10 10 CCCE CCN(C)C(=O)CNC(=O)/C=C\c1ccc(O)c(O)c1 588513548 SYUFHXSEKBPRQN-ALCCZGGFSA-N 278.308 0.706 10 10 CCCE CO[C@H](C(=O)O)C(=O)NCCCSc1nccs1 901719610 FRPZJGBGEUNFJU-ZETCQYMHSA-N 290.366 0.841 10 10 CCCE Nc1ccc(NC(=O)C(=O)N2C[C@@H]3CC[C@H](C2)O3)cc1 868292850 JLSVMDBHJCEMLL-TXEJJXNPSA-N 275.308 0.597 10 10 CCCE Cc1cccc([C@H](N)c2nnc(C3CNC3)o2)c1O 83440039 KPWUGIPDSMIMNN-JTQLQIEISA-N 260.297 0.819 10 10 CCCE C[C@H]1CO[C@@H](CO)CN1c1ccc(CN)cc1F 167797607 APPUCHXBVHTEOT-GXSJLCMTSA-N 254.305 0.870 10 10 CCCE O=C(/C=C/c1ccc(O)c(O)c1)NCCc1nc(=O)o[nH]1 790076656 JVMNWMRGBXGGOT-DUXPYHPUSA-N 291.263 0.146 10 10 CCCE CN(Cc1nc[nH]n1)S(=O)(=O)Cc1ccc(N)cc1 80511223 KDQNNIUNSNOIIN-UHFFFAOYSA-N 281.341 0.349 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)c1nnc2ccncn12 94258406 YIDVXJKQKCMKPL-VIFPVBQESA-N 271.280 0.778 10 10 CCCE Cc1ccc(O)c([C@H](C)N[C@H]2CCO[C@H]2C(N)=O)c1 2117462078 DQRITHWNVMSTFR-XHVZSJERSA-N 264.325 0.994 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CCC[C@@H]1[C@@H](O)CO 2123158958 ZDQYHKLQWWHHKF-SKDRFNHKSA-N 267.281 0.056 10 10 CCCE C[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CC[C@@H]1O 1634715226 OZRYFYYRVUIMEN-ONGXEEELSA-N 265.309 0.870 10 10 CCCE C[C@]12CCC(=O)N1[C@H](C(=O)N1CC(N=[N+]=[N-])C1)CS2 1912169049 HJOFAGPTXQJSHZ-KWQFWETISA-N 281.341 0.962 10 10 CCCE CNC(=O)C[C@@H](C)NC(=O)c1cc(O)c(O)c(O)c1 2132348069 DAEQGOIBFWFBRD-ZCFIWIBFSA-N 268.269 0.058 10 10 CCCE [N-]=[N+]=NCC1CCN(Cc2nc(=N)[nH]c(=N)[nH]2)CC1 1912174402 YPLFCJVBAHYRMC-UHFFFAOYSA-N 263.309 0.219 10 10 CCCE O=C(N[C@@H]1[C@H]2CCCN[C@@H]21)c1cc(O)c(O)c(O)c1 2132400828 PJOPCTXDXYEYFZ-BKDNQFJXSA-N 264.281 0.284 10 10 CCCE CN1CCN(C(=O)CN2CC[C@H](CN=[N+]=[N-])C2)CC1 1912201449 UUVKPJPRKJUNNZ-LLVKDONJSA-N 266.349 0.393 10 10 CCCE CC[C@@H](O)c1ccc(N2CC(CO)(CO)C2)cc1 1914977423 NAKOADDKMMIOFB-CYBMUJFWSA-N 251.326 0.921 10 10 CCCE CN(C(=O)c1cccc(O)c1O)C1(C(N)=O)CCCC1 1446321155 RAVJKUXUVJZPMA-UHFFFAOYSA-N 278.308 0.968 10 10 CCCE Cc1nc[nH]c1CC(=O)NCc1c(O)cccc1O 1456233157 DXSWDXUCSBLPKC-UHFFFAOYSA-N 261.281 0.988 10 10 CCCE CC1(C)CN(c2ccc3c(c2)OCO3)C[C@@H](CO)N1 217088695 BMSMUBXKRSBOID-JTQLQIEISA-N 264.325 0.964 10 10 CCCE COc1ccc(N2CCCNC[C@@H]2CO)c(OC)c1 217179680 WXFLPESHXGFEHQ-LLVKDONJSA-N 266.341 0.864 10 10 CCCE NC[C@H]1C[C@H](F)CN1C(=O)c1ccc(O)c(O)c1 1923606022 SEVHJKRVEJBUDG-DTWKUNHWSA-N 254.261 0.609 10 10 CCCE CS[C@H](CO)[C@H](C)NC(=O)COc1ccc(N)cc1 228113138 KATVVEBEDGPUHB-JOYOIKCWSA-N 284.381 0.876 10 10 CCCE NC[C@@H](C[C@@H]1CCCO1)NC(=O)c1ccc(O)c(O)c1 1926710595 LGZBWGZYZXHMND-MNOVXSKESA-N 280.324 0.724 10 10 CCCE Cc1ccc(O)c(CNC(=O)C2=C3CCCN=C3NN2)c1 1641732989 JEQTWRZQSJJKET-UHFFFAOYSA-N 286.335 0.871 10 10 CCCE C[C@H]1CN(C(=O)COc2ccc(N)cc2)C[C@H](CO)O1 229936321 UXGZEVUQDFRBCR-GXFFZTMASA-N 280.324 0.256 10 10 CCCE Cn1nnc2c(NCCc3ccc(O)c(O)c3)ncnc21 1651592547 CXZHPJIHIDZSRG-UHFFFAOYSA-N 286.295 0.824 10 10 CCCE O=C1CC[C@@H](COc2ccc(N3CCNCC3)cc2)N1 231832222 WNRZFQYMIRKOHG-LBPRGKRZSA-N 275.352 0.754 10 10 CCCE Cc1cccc(CNS(=O)(=O)C[C@@H]2CC[C@H]2O)c1O 2139759613 YQIRDLYKBLWGAE-NWDGAFQWSA-N 285.365 0.891 10 10 CCCE Cc1cccc(CNC(=O)[C@@H]2C[C@H](O)CCN2)c1O 2139749923 AKSJHCBWBJSMSE-NEPJUHHUSA-N 264.325 0.430 10 10 CCCE Nc1ccc(OCCC(=O)NCCn2ccnn2)cc1 126013647 WSYQZTGKGMPSTQ-UHFFFAOYSA-N 275.312 0.446 10 10 CCCE C[C@H](c1c(O)cccc1O)N1CCN(C)C[C@@H]1CN 235203260 XAEMQXXMZZNNSL-MNOVXSKESA-N 265.357 0.734 10 10 CCCE CCOC(=O)c1cccc(N)c1N[C@H]1COC[C@@H]1N 1876463743 UWLDBCBWCUQUTH-QWRGUYRKSA-N 265.313 0.584 10 10 CCCE Nc1ccc(OCCC(=O)N[C@@H]2CCONC2)cc1 1876440913 ACGSHEUFTQGMTH-LLVKDONJSA-N 265.313 0.447 10 10 CCCE C[C@H](NC[C@H]1CCS(=O)(=O)N1)c1ccc(F)cc1O 1967529681 JVLCFEBDRDQAMT-WCBMZHEXSA-N 288.344 0.874 10 10 CCCE NCC1(CNC(=O)Cc2ccc(O)c(O)c2)CC1 1972112067 JQENMOAGADAPTL-UHFFFAOYSA-N 250.298 0.495 10 10 CCCE COc1ccc(O)c(CNC[C@@H](CCO)OC)c1 1972495455 RDGVYBAOWAGWDT-GFCCVEGCSA-N 255.314 0.888 10 10 CCCE CN1CCc2cc([C@@H](O)[C@H](N)c3ncn(C)n3)ccc21 2147847842 LJCDMCWVUBCION-QWHCGFSZSA-N 273.340 0.541 10 10 CCCE Cc1cc(N2CCC[C@H](OCC(N)=O)C2)ccc1CO 2145384038 XCRGRKDQFFJHKP-AWEZNQCLSA-N 278.352 0.958 10 10 CCCE COC(=O)CCCN(CC(N)=O)Cc1ccc(N)cc1 35366650 HIPBQHVZMNTMOX-UHFFFAOYSA-N 279.340 0.509 10 10 CCCE COC(=O)[C@H](O)CN1CCCc2cc([C@H](C)N)ccc21 2145834503 LFLGPHAJGBPRFT-IINYFYTJSA-N 278.352 0.993 10 10 CCCE COc1ccc(N2C[C@@H](CO)C[C@@H]2CO)c([N+](=O)[O-])c1 2146129768 VJCLPSCXWMRZFB-VHSXEESVSA-N 282.296 0.783 10 10 CCCE C[C@@H](N)CCCNC(=O)Cc1ccc(O)c(O)c1 2027476906 CCZTZEHOSRAKLM-SECBINFHSA-N 252.314 0.884 10 10 CCCE CN[C@H]1C[C@H](C)N(C(=O)c2cccc(O)c2O)C1 2028482898 ZXNWOWSEIFAMHY-IUCAKERBSA-N 250.298 0.920 10 10 CCCE C[C@H](c1ccc(O)cc1O)N1CCOC[C@H](N)C1 2034712739 CFZHDTJJVDZHHI-NXEZZACHSA-N 252.314 0.818 10 10 CCCE C[C@H]1OC2(CN)CC1(NC(=O)c1cccc(O)c1O)C2 2156853859 ZTDUGZCLTRCRKV-UWEQVVMYSA-N 278.308 0.476 10 10 CCCE C[C@H](C(=O)O)N1CCN(Cc2ccc(O)cc2O)CC1 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CN(C(=O)CN1C=CS(=O)(=O)C=C1)c1ccc(N)cc1 2176726942 PLGWJWSALKXHEQ-UHFFFAOYSA-N 293.348 0.904 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N3CC(=O)NC[C@H]3C)ccc21 2181164626 YEHBIUKTJWOZFN-AMIZOPFISA-N 274.324 0.224 10 10 CCCE CCn1nnc(CNCc2cc3c(cc2O)OCO3)n1 2197869399 NMPXLHDDIFJISV-UHFFFAOYSA-N 277.284 0.417 10 10 CCCE CN(C)c1ccc(CNC(=O)C2(O)CCNCC2)cc1 2183273518 DMWBMYSDMCRLSY-UHFFFAOYSA-N 277.368 0.483 10 10 CCCE C[C@H](N)c1cc(F)c(N(C)[C@H]2CC(=O)NC2=O)c(F)c1 2194695753 XKUQZDGTHFKMEF-WKEGUHRASA-N 283.278 0.836 10 10 CCCE Nc1ccc(NC(=O)N2C[C@@H](O)C[C@@H](O)C2)cc1 2043181046 CDLTWLHRMIZQBO-PHIMTYICSA-N 251.286 0.228 10 10 CCCE NC(=O)[C@H]1CCC[C@H]1NCc1ccc(O)c(O)c1 2053790083 VITMZUPGUYYXCE-VHSXEESVSA-N 250.298 0.841 10 10 CCCE CN([C@@H]1CCNC1)S(=O)(=O)CCOc1ccc(N)cc1 2191541422 ZANSEKJBWCEBNG-GFCCVEGCSA-N 299.396 0.271 10 10 CCCE C[C@]1(N)CCCN(c2cc3c(cc2N)OCC(=O)N3)C1 2191607076 SLURKGMQYRMOTQ-AWEZNQCLSA-N 276.340 0.917 10 10 CCCE Nc1ccc(OCC(=O)NC2[C@H]3CC[C@H]2CNC3)cc1 2191753691 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Nc1ccc(O[C@@H]2CC(CO)(CO)C[C@@H]2O)cc1 2085484660 IHTOACCXQZKBEX-NWDGAFQWSA-N 253.298 0.142 10 10 CCCE CO[C@@H]1CN(C(=O)c2ccc(O)c(O)c2)CC[C@H]1N 2090579618 LBUJDMSTPSPKCN-BXKDBHETSA-N 266.297 0.286 10 10 CCCE CN1CCO[C@@H]2CN(Cc3cc(N)ccc3O)C[C@@H]21 2097697367 UDDSZPOIWYHUPG-GXTWGEPZSA-N 263.341 0.489 10 10 CCCE CN(C(=O)CN1C(=O)CCNC1=O)c1ccc(N)cc1 2206437552 SFZJYLLKQXUVAH-UHFFFAOYSA-N 276.296 0.174 10 10 CCCE CN(CCN=[N+]=[N-])C(=O)[C@@H]1CC[C@H](C(=O)O)N1C 2218739002 SERSPGORFBNTNG-JGVFFNPUSA-N 255.278 0.303 10 10 CCCE [N-]=[N+]=N[C@H]1CCC[C@H]1NS(=O)(=O)N1CCOCC1 2218742967 SIRRBGZZNMCMRG-DTWKUNHWSA-N 275.334 0.384 10 10 CCCE O[C@H]1[C@@H]2C[C@H](C[C@H]1O)CN2c1ccc2c(c1)OCCO2 2235095424 ZZFDTWGIUMOLGO-FQMFCJFBSA-N 277.320 0.778 10 10 CCCE OC[C@@]1(O)CCN(c2ccc3c(c2)COCC3)C[C@H]1O 2235068765 FNCQFQBJEZZWBZ-CABCVRRESA-N 279.336 0.054 10 10 CCCE OC[C@@H](O)[C@H]1COCCN1c1ccc(OC2CC2)cc1 2235095773 DCCYWZPRRADMKI-HUUCEWRRSA-N 279.336 0.786 10 10 CCCE COc1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CF)cc1OC 2226806819 PEWXYRIUFFGZQT-KWBADKCTSA-N 271.288 0.584 10 10 CCCE Cc1nc(=NCCc2ccc(O)c(O)c2)[nH]cc1N 2229790126 RCPYQTANURHQEZ-UHFFFAOYSA-N 260.297 0.855 10 10 CCCE COCCN(CCOc1ccc(N)cc1)C[C@@H](C)O 2272518004 LEUMDDQKYGSVSO-GFCCVEGCSA-N 268.357 0.977 10 10 CCCE NC[C@]12C[C@@H]1CN(c1cc3c(cc1N)OCCO3)C2 2272657944 VJNFAFYSXODMHU-OTYXRUKQSA-N 261.325 0.825 10 10 CCCE CN(Cc1ccccc1O)C[C@@H]1COCC2(CNC2)O1 2279196946 OZCCSRUCYRBIKE-CYBMUJFWSA-N 278.352 0.581 10 10 CCCE CN(CC(F)(F)C(=O)O)C(=O)Cc1ccc(O)c(O)c1 2295302361 WTJNSMKUPNNGOY-UHFFFAOYSA-N 289.234 0.819 10 10 CCCE CCN[C@H](C)c1ccc(N2CC(O)(CCO)C2)cc1O 2286180583 IIOGBOVBRFBGON-LLVKDONJSA-N 280.368 0.996 10 10 CCCE Nc1ccc(CCN2C[C@@H](O)[C@@H](O)[C@@H]2CF)cc1 2311998519 FUPIDYDKOLKUBJ-XQQFMLRXSA-N 254.305 0.187 10 10 CCCE O=S1(=O)C[C@H]2CN(c3ccc(CO)cc3F)C[C@@H]21 2314888787 BRBJKGKUCRJFHU-SKDRFNHKSA-N 271.313 0.551 10 10 CCCE CN1CCc2cc(CNCCS(C)(=O)=O)ccc21 50286704 RVABLIZPDYXDIG-UHFFFAOYSA-N 268.382 0.813 10 10 CCCE Nc1ccc(C[C@H](O)[C@H]2CCCS2(=O)=O)cc1 1950546747 DVIOWNYXEPGCEF-NWDGAFQWSA-N 255.339 0.749 10 10 CCCE CC[C@@H](NC(=O)c1ccc(O)c(O)c1)C(=O)OC 301759888 WPCKBTSLOBMGDC-MRVPVSSYSA-N 253.254 0.779 10 10 CCCE COCCOCCOC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 125879375 ZVVMHAAPCDLADF-NSHDSACASA-N 299.323 0.174 10 10 CCCE C[C@H](O)c1ccc(N2CC[C@@H]3C[C@H]2[C@@H](O)[C@@H]3O)cc1O 2357586505 ZKGFDECSDZJBSY-JRIPDTHKSA-N 279.336 0.766 10 10 CCCE CNC(=O)CC(=O)NCCCSc1nccs1 186212034 NMKCEFCFSVGDTQ-UHFFFAOYSA-N 273.383 0.878 10 10 CCCE COCCN(CCOC)CC(=O)N(C)c1ccc(N)cc1 36197475 ZBJNVLNHEUOURV-UHFFFAOYSA-N 295.383 0.826 10 10 CCCE COCCN(CC(=O)O)Cc1ccc(O)cc1O 86804033 HRGLZLOQGKUZLS-UHFFFAOYSA-N 255.270 0.631 10 10 CCCE CO[C@H](CN)C(=O)N(C)[C@@H](C)c1ccccc1O 227369226 SFRHZLOXJBGUOZ-JOYOIKCWSA-N 252.314 0.885 10 10 CCCE C[C@H](OC(=O)Cc1ccc(N)cc1)C(=O)N(C)C 41098568 HLRXXODYGOJKAM-VIFPVBQESA-N 250.298 0.831 10 10 CCCE C[C@@H](c1c(O)cccc1O)N1CC[C@](O)(C(=O)O)C1 1891194154 SGHOGCYPYLONNH-ISVAXAHUSA-N 267.281 0.680 10 10 CCCE CC(=O)C(=O)COC(=O)[C@@H]1CCCN(C(=O)C(C)(C)C)C1 808508454 BOIRPOLYYAMZCB-LLVKDONJSA-N 297.351 0.972 10 10 CCCE NCC1(O)CC(c2nc(-c3ccc(O)c(O)c3)no2)C1 2166527861 QKZQGGDHOQJIJK-UHFFFAOYSA-N 277.280 0.715 10 10 CCCE C[C@](O)(C(=O)O)[C@H](N)c1cc(Br)ccc1O 713758993 GWXBJNAFTNPYJU-PSASIEDQSA-N 290.113 0.990 10 10 CCCE COc1ccc(O)c(CNC(=O)[C@@H]2CCCN(C)C2=O)c1 825838684 FHVVKTOSUAHKEH-LBPRGKRZSA-N 292.335 0.885 10 10 CCCE CN(C)c1ccc([C@H](CC2CS(=O)(=O)C2)NN)cc1 722926280 TVBRDCUENVZVRQ-ZDUSSCGKSA-N 283.397 0.692 10 10 CCCE Nc1ccc(CN2C[C@H]3CCO[C@]3(C(=O)O)C2)cc1 1891831155 NZNGCHCILTWRCS-BXUZGUMPSA-N 262.309 0.944 10 10 CCCE COC(=O)[C@H](CN)NCc1cnc(SC)s1 2243767642 KCJZYZPJIADYIO-ZETCQYMHSA-N 261.372 0.455 10 10 CCCE C[C@@H]1C(=O)N(CCN(C)C)CN1Cc1ccccc1O 843429489 XDLZXPSCBUWRPG-GFCCVEGCSA-N 277.368 0.944 10 10 CCCE NCC1(c2cc(O)c(O)c(O)c2)CCC(O)CC1 1951856958 SVXOWXGVUGYYHS-UHFFFAOYSA-N 253.298 0.935 10 10 CCCE COc1ccc(N2CC[C@@H](NC(=O)NCCCO)C2)cc1 854303416 WQLFWNGRBVDOFZ-GFCCVEGCSA-N 293.367 0.956 10 10 CCCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1COC(=O)N1 860696538 BSDIWLQLFOFSDY-CBAPKCEASA-N 280.280 0.253 10 10 CCCE CCN[C@](C)(CN(C)c1ccc(OC)cc1)C(N)=O 49972062 CLZRLSHMKFOMIB-CQSZACIVSA-N 265.357 0.985 10 10 CCCE O=S1(=O)C=C[C@@H]2ONC(c3ccc(O)c(O)c3)=C21 888102209 OZZPJWACGYDHNW-VIFPVBQESA-N 267.262 0.612 10 10 CCCE N[C@@H](c1nnc(C=O)o1)c1cc([N+](=O)[O-])ccc1O 83462431 SJUSUDDCZXLVNJ-SECBINFHSA-N 264.197 0.544 10 10 CCCE CCOCCCNC(=O)[C@H](N)c1ccc(O)cc1O 83497302 GBUQXMUHJFGWKZ-GFCCVEGCSA-N 268.313 0.640 10 10 CCCE O=C(O)[C@@H](c1cc(O)ccc1O)N1C(=O)C=CC1=O 83457875 OAQXPJRMLQCTME-LLVKDONJSA-N 263.205 0.149 10 10 CCCE COc1ccc([C@@H](C)NC[C@@H](O)CN(C)C)c(O)c1 717406196 VGVFCXONGVDEAW-GHMZBOCLSA-N 268.357 0.974 10 10 CCCE Nc1ccc(CN2CCn3c(CO)nnc3C2)cc1 2115150559 UFEAKXPNMWQGSC-UHFFFAOYSA-N 259.313 0.368 10 10 CCCE C[C@H](O)c1ccc(N2C[C@@H]3C[C@H](C2)[C@H](O)[C@H]3O)cc1 2126158057 KJSVHLAIHWRAEX-OEOBOFROSA-N 263.337 0.918 10 10 CCCE CN[C@H]1CCc2cc(N3CC[C@](O)(CO)C3)ccc21 2128311965 BITJWTICAWTGKT-LSDHHAIUSA-N 262.353 0.827 10 10 CCCE N[C@@H]1CCc2cc(N3CCC[C@H]3[C@H](O)CO)ccc21 2128313640 VUJLIYUTEOFBEG-QLFBSQMISA-N 262.353 0.955 10 10 CCCE COCCCNC(=O)[C@@H](C)N1CC[C@H](N=[N+]=[N-])C1 1912206727 KYJJOOPVKUVWJH-ZJUUUORDSA-N 255.322 0.912 10 10 CCCE CN(C)c1nc(CN2CCC[C@H](N=[N+]=[N-])C2)nc(=N)[nH]1 1912158845 ZTKGMRWDAGUQAJ-QMMMGPOBSA-N 277.336 0.625 10 10 CCCE COc1ccc(CNC(=O)CCCc2nn[nH]n2)c(O)c1 1448376671 YQVCTAAUPLMFKR-UHFFFAOYSA-N 291.311 0.553 10 10 CCCE CN(c1ccc2c(c1)NC(=O)[C@@H]2O)C(C)(C)C(N)=O 1915544704 OGIXKZAXNBFGES-SNVBAGLBSA-N 263.297 0.372 10 10 CCCE COc1ccc(N2CC(C)(C)NC(=O)[C@H]2CN)cc1 216992451 KDXCOWDFSXYLES-GFCCVEGCSA-N 263.341 0.737 10 10 CCCE C[C@@H](c1c(O)cccc1O)N1C[C@H](O)C[C@@H]1C(=O)O 2136118851 FYKGNTADGXDALT-DJLDLDEBSA-N 267.281 0.679 10 10 CCCE CCN[C@H](c1ccccc1O)[C@]1(O)CCCS(=O)(=O)C1 1922484425 DLEFOCDYZGJDML-KGLIPLIRSA-N 299.392 0.983 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CCn2cncc2C1 1637135055 UTGLTZKGXQEDCJ-UHFFFAOYSA-N 273.292 0.879 10 10 CCCE CCC[C@@H](O)CNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 134430831 ZHUUPBKECBRZPS-MNOVXSKESA-N 282.340 0.245 10 10 CCCE COc1cc(N2C[C@@H](CO)O[C@H](C)C2)ccc1CO 2139683136 RGCLKNRHZAGEHO-MFKMUULPSA-N 267.325 0.774 10 10 CCCE COc1cc(N2CCO[C@@H]([C@H](C)O)C2)ccc1CO 2139703294 WQPYPNPCGZKGLX-IINYFYTJSA-N 267.325 0.774 10 10 CCCE Cc1cccc(CNC(=O)C2(CN)CC(O)C2)c1O 2139760294 QJJXYUQISLULLJ-UHFFFAOYSA-N 264.325 0.417 10 10 CCCE C[C@@H]1CN(c2ccc3c(c2)OCCO3)C[C@@H](O)CN1 251782933 WHWZGKVZGSPUOW-PWSUYJOCSA-N 264.325 0.617 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1C[C@H]2C[C@]2(CO)C1 1296560314 UTOBDBCEZSHNGQ-QMTHXVAHSA-N 263.293 0.481 10 10 CCCE COCC[S@](=O)CCNC(=O)Nc1ccc(N)cc1 2142038356 WZEHWIRLNIBESK-LJQANCHMSA-N 285.369 0.785 10 10 CCCE CN1CCNC[C@@H]1CNC(=O)Nc1ccc(N)cc1 1876152598 IKTUKGMKZZAISN-GFCCVEGCSA-N 263.345 0.294 10 10 CCCE C[C@@H]1CNCCCN1S(=O)(=O)Cc1ccc(N)cc1 1876163892 SEVKXYKYURABNX-LLVKDONJSA-N 283.397 0.782 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@H]2CCC[C@H](N)C2)cc1 1876407862 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2148669813 LVEDMOWIKMKLRD-JTQLQIEISA-N 280.324 0.973 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3CCC[C@H](CO)C3)ccc21 36227335 IEKGVIUECWHYPJ-TVQRCGJNSA-N 261.325 0.847 10 10 CCCE COCCN(CCO)CCCOc1ccc(N)cc1 164201146 YHFNVLKYBCJQCY-UHFFFAOYSA-N 268.357 0.978 10 10 CCCE C[C@@H](ONC(=O)Cc1ccc(O)c(O)c1)C(=O)O 2027475730 VMJPEIDPMBVIBP-ZCFIWIBFSA-N 255.226 0.161 10 10 CCCE Cn1ncc(COc2ccc(N3CCNCC3)cc2)n1 312527995 JKCCRIKQRKSYEU-UHFFFAOYSA-N 273.340 0.804 10 10 CCCE NC1(CNC(=O)c2cccc(O)c2O)CCOCC1 700384005 KWNJIMALQMVLHF-UHFFFAOYSA-N 266.297 0.336 10 10 CCCE CCN(C(=O)COc1ccc(N)cc1)[C@@H]1CCNC1=O 2171237896 RRTWTPUFQXRGJS-GFCCVEGCSA-N 277.324 0.385 10 10 CCCE NCc1ccc(N2CC[C@@H](CC(N)=O)C2)c(F)c1 690759258 DIFHMSRIGYGGSA-JTQLQIEISA-N 251.305 0.986 10 10 CCCE C[C@@H]1CN(C(=O)CCOc2ccc(N)cc2)CC(=O)N1 387296743 OJWKPVXQMGVMQI-SNVBAGLBSA-N 277.324 0.385 10 10 CCCE CC(C)[C@H](C(=O)O)[C@H](C)NC(=O)c1cc(O)nc(O)c1 399417546 GPBNXFJVHMHFKI-CPCISQLKSA-N 282.296 0.968 10 10 CCCE Nc1ccc(OCCN2C[C@@H]3C[C@H](C2)[C@@H](O)[C@H]3O)cc1 2182560902 PFAMBKUUHFIXCS-HGSJOUDDSA-N 278.352 0.321 10 10 CCCE O=C(N[C@@H]1COC[C@@H]1C1CC1)c1cc(O)c(O)c(O)c1 2188916792 RXHUQSAPTWPGSE-NXEZZACHSA-N 279.292 0.958 10 10 CCCE CCO[C@@H]1C[C@@H](N)[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2188924349 PCSBAYYCDXPGOC-AVPPRXQKSA-N 282.296 0.038 10 10 CCCE N[C@@H]1CCO[C@H](CNC(=O)c2cc(O)c(O)c(O)c2)C1 2188932497 YATAARPQDGCADY-BDAKNGLRSA-N 282.296 0.040 10 10 CCCE CCn1nnnc1CNCc1cccc(F)c1O 2050227313 XRVKKDPEANKYHA-UHFFFAOYSA-N 251.265 0.828 10 10 CCCE N[C@@H]1CC[C@H]1CNC(=O)Cc1ccc(O)c(O)c1 2053085782 AHJCSPRASARRHS-VHSXEESVSA-N 250.298 0.494 10 10 CCCE O=C(N[C@@H]1CCO[C@H](C(=O)O)C1)c1ccc(O)c(O)c1 2194367190 UYLSFRUKUOVYLY-KCJUWKMLSA-N 281.264 0.460 10 10 CCCE O=C1C[C@@H](NC(=O)[C@H]2CNc3ccccc3N2)CCN1 2186331614 WWLZMKKQHHCKCL-JOYOIKCWSA-N 274.324 0.287 10 10 CCCE CO[C@H]1C[C@H](C(=O)O)N(Cc2ccc(N)cc2)C1 2076949525 VTPWNSJCCSYCQE-NWDGAFQWSA-N 250.298 0.943 10 10 CCCE COC[C@](O)(CO)CN[C@H]1CCc2cccc(O)c21 2102397702 VMBKDCZLUNKDMX-SMDDNHRTSA-N 267.325 0.339 10 10 CCCE Cc1ccc(CN[C@@H]2CCO[C@@H]2C(N)=O)c(O)c1 2084073634 MCXDDGJEHGVVCM-PWSUYJOCSA-N 250.298 0.433 10 10 CCCE CN(C)c1ccc2c(c1)CCN2CCn1cnnn1 2087224481 ZHSZKLXJWMPWFJ-UHFFFAOYSA-N 258.329 0.802 10 10 CCCE COC(CN(C)CC(=O)c1ccc(O)c(O)c1)OC 2108843387 XIYPKFHNSZRFMC-UHFFFAOYSA-N 269.297 0.831 10 10 CCCE COC[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(N)=O 2096065093 JDCFUSYWSFBUIE-GXFFZTMASA-N 265.357 0.904 10 10 CCCE COc1cc(N2CCc3c(nnn3C)C2)ccc1CN 2204555876 ANMRQJWGOUGUSU-UHFFFAOYSA-N 273.340 0.845 10 10 CCCE CNCc1ccc(N2CCC[C@H]2[C@H](O)CO)cc1OC 2204542345 ZHIVSIIGGKUEAY-UONOGXRCSA-N 280.368 0.737 10 10 CCCE CCS(=O)(=O)CNC(=O)N1CCC[C@H]1CN=[N+]=[N-] 2218513792 SKXZZDBPSUSNOG-QMMMGPOBSA-N 275.334 0.863 10 10 CCCE CS(=O)(=O)C1(C(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])CC1 2218746724 YETJIDFPGRKYDR-JGVFFNPUSA-N 272.330 0.911 10 10 CCCE COC(=O)C1(O)CN(c2ccc([C@H](C)N)cc2C)C1 2232094209 PIKSGENVFBVAFE-JTQLQIEISA-N 264.325 0.739 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1[C@H]2CCC[C@@H]1CNC2 2234686736 QTRHCWZXRFISFF-AOOOYVTPSA-N 278.308 0.770 10 10 CCCE COc1cc(N(CCO)C[C@H](C)O)cc(OC)c1OC 2235141792 XHWVTHPVTAEONZ-JTQLQIEISA-N 285.340 0.892 10 10 CCCE OCc1ccc(N2CC[C@@](O)(CO)[C@H](O)C2)cc1Cl 2225727478 OMHMFNPQOXAWIX-CHWSQXEVSA-N 287.743 0.127 10 10 CCCE CNCc1cc(OC)ccc1N1C[C@H](O)[C@@H](O)[C@@H]1CF 2235962382 GCTDXBBKUCVVPW-IHRRRGAJSA-N 284.331 0.295 10 10 CCCE CCCNCc1cc(OC)ccc1N1C[C@H](O)[C@@H](O)C1 2235953515 BPOYOUGIONLPAZ-GJZGRUSLSA-N 280.368 0.737 10 10 CCCE COc1cc(N2CC[C@@H]2[C@@H](O)CO)ccc1CN 2258308135 GPDGPCYOAWSPRX-NEPJUHHUSA-N 252.314 0.086 10 10 CCCE CC[C@]1(NCc2ccc(O)c(O)c2)CCNC1=O 2260548221 RMECPNPFYHLOQS-ZDUSSCGKSA-N 250.298 0.856 10 10 CCCE C[C@]1(O)[C@H]2C[C@@H]1CN(C(=O)c1ccc(O)c(O)c1)C2 2270689812 XRMZXWBRTXHLFK-WDAIWFPHSA-N 263.293 0.941 10 10 CCCE OC[C@@H]1CN(c2ccc3c(c2)CCC3)C[C@@H](O)[C@H]1O 2273675573 WIJSVZCDRIDJOS-CFVMTHIKSA-N 263.337 0.326 10 10 CCCE Cc1cc(N2CCOC[C@H]2C(N)=O)ccc1[C@H](C)O 2269680232 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10 10 CCCE C[C@H](N)[C@@H]1CN(Cc2ccc(O)c(O)c2)CCO1 132573434 WWEXKFJUKLKYGR-ZANVPECISA-N 252.314 0.646 10 10 CCCE C[C@@H](N[C@H]1CC(=O)N(C)C1=O)c1ccc(O)cc1O 88774997 HAVDSZNMPPNRJL-XCBNKYQSSA-N 264.281 0.506 10 10 CCCE C[C@H](c1c(O)cccc1O)N1CCOC[C@@H]1C(=O)O 235171575 RQMFMUBWLAULPN-RKDXNWHRSA-N 267.281 0.944 10 10 CCCE C[C@@H](NC(=O)c1ccc(O)c(O)c1)[C@@H](C)C(=O)O 235197887 ZOWNSXAAKYVIQR-RNFRBKRXSA-N 253.254 0.937 10 10 CCCE CCN(CC)c1ccc([C@H](O)[C@H](N)C(=O)O)cc1 1951883248 CCBWWKURDIYOHK-RYUDHWBXSA-N 252.314 0.978 10 10 CCCE NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1cccc(O)c1O 365768533 HJFGIZSMXDTFRE-SBMIAAHKSA-N 290.319 0.824 10 10 CCCE CC(=O)C(=O)COC(=O)CCOC[C@@H]1CCCO1 808503638 JIOJYGOBRZPLDG-JTQLQIEISA-N 258.270 0.273 10 10 CCCE CC(=O)C(=O)COC(=O)c1cccc(-n2cccn2)n1 808518944 KDRIOILTEVRDCF-UHFFFAOYSA-N 273.248 0.582 10 10 CCCE CC(=O)C(=O)COC(=O)c1c(F)cc(O)cc1F 808519181 PZYNONULYMEZFD-UHFFFAOYSA-N 258.176 0.985 10 10 CCCE C[C@@H]1CN(C)C[C@@H]([C@H](NN)c2ccc(N(C)C)cc2)O1 2163141875 ZCPFBPZWCDVPHT-BYCMXARLSA-N 278.400 0.976 10 10 CCCE O=C1Nc2cc(N3C[C@H]4CC[C@@H](O)[C@H]4C3)ccc2[C@H]1O 712287992 GIRBTCQPVSGHGH-MGNUUCGSSA-N 274.320 0.879 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N(C)[C@@H](C)C(N)=O)c(Cl)cc21 723183484 RYDZTLBAIORSBO-KGFZYKRKSA-N 296.758 0.863 10 10 CCCE C[C@H]1C(=O)NCCN1C(=O)/C=C\c1ccc(O)c(O)c1 588404065 CMYRHKWFXHHDKI-LVCFMKKZSA-N 276.292 0.458 10 10 CCCE C[C@@H](CS(N)(=O)=O)NCc1cc(Cl)ccc1O 1947446314 OGOWQFRAIIMWCQ-ZETCQYMHSA-N 278.761 0.812 10 10 CCCE CN1C[C@H](O)C[C@@]1(C)C(=O)NCc1c(O)cccc1F 928709712 DOWWKILIDMHFLH-OTYXRUKQSA-N 282.315 0.603 10 10 CCCE OCC1CC(NCc2cc3c(cc2O)OCO3)C1 699010351 YQOXBBOAWPMUJD-UHFFFAOYSA-N 251.282 0.981 10 10 CCCE COCCCNC(=O)[C@H](N)c1cccc(C)c1O 83392722 MAPLEFFUZLRYQM-LLVKDONJSA-N 252.314 0.853 10 10 CCCE CNCc1nnc([C@H](N)c2cc(OC)ccc2O)o1 83463281 NFXMOESYFCCRGE-LLVKDONJSA-N 264.285 0.551 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H](CO)CC1CC1 1568488257 IRVSFPWFCHDLHE-LLVKDONJSA-N 265.309 0.918 10 10 CCCE NCc1ccc(N2CC[C@H](O)[C@@H](CO)C2)cc1F 396894972 SCWDPOMFJPIVDJ-MFKMUULPSA-N 254.305 0.464 10 10 CCCE COC(=O)N[C@@H]1CCN(C(=O)Cc2ccc(N)cc2)C1 133300182 JCUXKTMURADZKJ-GFCCVEGCSA-N 277.324 0.768 10 10 CCCE NC(=O)CN(Cc1ccc(N)cc1)C(=O)c1ccns1 705313614 BOIGEMPQBFLSHO-UHFFFAOYSA-N 290.348 0.853 10 10 CCCE Nc1ccc(CC(=O)N2C[C@H]3C[C@]3(C(=O)O)C2)cc1 693245969 JZKPBUCULLXICV-YGRLFVJLSA-N 260.293 0.744 10 10 CCCE C[S@@](=O)C1CN(CCC(=O)Nc2ccc(N)cc2)C1 2115306064 OAGAUFPNXKKPSS-LJQANCHMSA-N 281.381 0.660 10 10 CCCE C[C@@H]1CN(c2cc3c(cc2N)OCCO3)CC[S@]1=O 2115323070 ZDSHTECMOZZNAH-AYLIAGHASA-N 282.365 0.997 10 10 CCCE O=C(CN1CC(O)(C(F)F)C1)c1ccc(O)c(O)c1 2115494535 SXOJVZIFXDGXPS-UHFFFAOYSA-N 273.235 0.592 10 10 CCCE CN(Cc1ccc(N)cc1)C(=O)[C@]1(C)CNC(=O)C1 2115747736 UOQAZBODBXCRII-AWEZNQCLSA-N 261.325 0.753 10 10 CCCE O=C(O)[C@@H]1C=CCCN1C(=O)c1cccc(O)c1O 2126002723 VMEZRSFESADXNR-VIFPVBQESA-N 263.249 0.953 10 10 CCCE COCC(O)(CNCc1ccc(O)c(O)c1)COC 2119287118 ZLXCFRGKSUNWOI-UHFFFAOYSA-N 271.313 0.211 10 10 CCCE C[C@H](N)c1ccc(N2C[C@@H](O)[C@@H](O)C2(C)C)cc1O 2124797973 AJFVZOWRIRZEDO-ZEGGKSINSA-N 266.341 0.732 10 10 CCCE O=C1NCC2(CN(c3ccc4c(c3)CC[C@@H]4O)C2)N1 2128317592 QHWSOMUWFSNUEX-LBPRGKRZSA-N 259.309 0.538 10 10 CCCE O=C(NCC1=CCCOC1)c1cc(O)c(O)c(O)c1 2132348804 SOEXQBLLLHUBBH-UHFFFAOYSA-N 265.265 0.880 10 10 CCCE C[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)[C@@H]1C(=O)O 2132349058 XURUDOZSLRCNJM-ANLVUFKYSA-N 267.237 0.349 10 10 CCCE C[C@@H](CO)CCCNC(=O)c1cc(O)c(O)c(O)c1 2132348221 GSXYIHFHOCMNSF-MRVPVSSYSA-N 269.297 0.942 10 10 CCCE CC1(C(N)=O)CN(c2ccc([N+](=O)[O-])c(CO)c2)C1 1914220254 JCPJCLGDTCVUPN-UHFFFAOYSA-N 265.269 0.399 10 10 CCCE CC1(C)C(=O)NCCN1CC(=O)Nc1ccc(N)cc1 110652319 NLZYOVDIDAOYSK-UHFFFAOYSA-N 276.340 0.418 10 10 CCCE C[C@@H](C[S@](C)=O)N(C)C(=O)Cc1ccc(O)c(O)c1 1466386915 HYVIEJLPRQBLGI-UGZDLDLSSA-N 285.365 0.866 10 10 CCCE C[C@H]1CN(c2ccc3c(c2)OCCO3)C[C@H](CO)N1 217088628 YRDDTUNTAGFJIL-WDEREUQCSA-N 264.325 0.617 10 10 CCCE O=C(/C=C\c1ccc(O)c(O)c1)NC[C@H]1CCCNC1=O 1542943362 ISRUJCBXUWLUCP-VLWUPBBWSA-N 290.319 0.753 10 10 CCCE CNC(=O)C(C)(C)CNCc1ccc(O)c(O)c1O 226761476 YILXIGXQTIHJOB-UHFFFAOYSA-N 268.313 0.665 10 10 CCCE O=C(NC1CCS(=O)(=O)CC1)c1ccc(O)c(O)c1 226954751 GZAXSKXLFXDUER-UHFFFAOYSA-N 285.321 0.405 10 10 CCCE COc1cc(N2CCN(C)[C@@H](CO)C2)ccc1CN 2139696930 ODIMJJCSJMJIAN-CYBMUJFWSA-N 265.357 0.267 10 10 CCCE CO[C@@]1(C(=O)NCc2cccc(C)c2O)CCNC1 2139744484 XXDWRRSZXBLRFX-AWEZNQCLSA-N 264.325 0.695 10 10 CCCE C[C@H]1CO[C@H](CO)CN1CC(=O)N(C)c1ccc(N)cc1 167038366 OCEUSFBTKKPYBP-FZMZJTMJSA-N 293.367 0.313 10 10 CCCE CC(C)CNC(=O)CN(C)C(=O)c1cccc(O)c1O 126535120 IOXOCGZKCJGLQE-UHFFFAOYSA-N 280.324 0.942 10 10 CCCE NC(=O)[C@H]1CCN(CCCOc2ccc(N)cc2)C1 236278544 VQPNNIDAHCIHGL-NSHDSACASA-N 263.341 0.845 10 10 CCCE C[C@H](O)c1cc(F)c(N2C[C@@H](O)C[C@H]2CO)c(F)c1 1880483448 YDIFCCIFVWDERJ-HGNGGELXSA-N 273.279 0.950 10 10 CCCE CN(c1ccc(CN)c(F)c1)C1CS(=O)(=O)C1 1946845245 HGUFHJVKYXOVAE-UHFFFAOYSA-N 258.318 0.518 10 10 CCCE CNC[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CCO1 2144017478 BMMFUKKJKOKVHE-LLVKDONJSA-N 280.324 0.087 10 10 CCCE O=C(CCn1cnnc1)NCCc1ccc(O)c(O)c1 2148010362 VFWPBKHKFWUZBB-UHFFFAOYSA-N 276.296 0.438 10 10 CCCE C[C@H]1CCN(c2cc3c(cc2N)OCCO3)[C@H]1C(N)=O 2146450798 GGCNDSCORXNYPG-ISVAXAHUSA-N 277.324 0.740 10 10 CCCE Nc1ccc(-n2ccc(C(=O)N3CCOCC3)n2)cc1 35427762 CWUFFBNFALBUFT-UHFFFAOYSA-N 272.308 0.927 10 10 CCCE C[C@@H]1CCN(CC(=O)N(C)c2ccc(N)cc2)S1(=O)=O 2150584162 XBRYLOXVTFHAPT-SNVBAGLBSA-N 297.380 0.656 10 10 CCCE N[C@H](c1ccccc1O)[C@H]1[C@@H]2CS(=O)(=O)C[C@@H]21 2006135642 ATQOBTUHSIDIDF-LLHIFLOGSA-N 253.323 0.683 10 10 CCCE CN1CC2(C1)CN(c1cc3c(cc1N)NC(=O)CC3)C2 2152277228 CJPFGKKIFVVKHI-UHFFFAOYSA-N 272.352 0.905 10 10 CCCE CC(C)[C@@H](CN)NC(=O)Cc1ccc(O)c(O)c1 2027482140 OQCRLURRTGHLKE-SNVBAGLBSA-N 252.314 0.740 10 10 CCCE Cc1nc[nH]c1S(=O)(=O)Nc1ccc(O)cc1N 2032459455 JNHRVLFAHMXODS-UHFFFAOYSA-N 268.298 0.807 10 10 CCCE O=S1(=O)CC[C@@H]1CNCc1ccc(O)c(O)c1O 2033301293 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[N-]=[N+]=N[C@@H]1CCCN(C(=O)[C@@H]2CCCC(=O)N2)C1 709675919 QNCDKMCBMVTNFC-BDAKNGLRSA-N 251.290 0.956 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC[C@H](F)C1 689935881 OZYFKGNAFZYESZ-UWVGGRQHSA-N 268.288 0.538 10 10 CCCE CO[C@@H]1C[C@@H](CO)N(CC(=O)Nc2ccc(N)cc2)C1 380477107 SQIAYGYYRXZPCO-QWHCGFSZSA-N 279.340 0.289 10 10 CCCE C[C@H]1[C@H](NC(=O)COc2ccc(N)cc2)CCN1C 719405449 OIDFQLVIVWPBCH-GXFFZTMASA-N 263.341 0.856 10 10 CCCE CC1(C)CN(C[C@@H](O)COc2ccc(N)cc2)C[C@H]1O 387877242 LGCJZNTWLVZJRY-TZMCWYRMSA-N 280.368 0.711 10 10 CCCE Cn1ncc(COC(=O)CCOc2ccc(N)cc2)n1 394284240 IMSAYBCNDZJDIR-UHFFFAOYSA-N 276.296 0.910 10 10 CCCE O=C(CCC(=O)N1CCOCC1)Nc1ccc(O)c(O)c1 2062076931 FCVAUERGVQJZAP-UHFFFAOYSA-N 294.307 0.675 10 10 CCCE O=C(CN1C[C@@H]2CC[C@H](C1)C2O)c1ccc(O)c(O)c1 2167790435 YKAOLCMOEYOBJK-YWXMQNBFSA-N 277.320 0.983 10 10 CCCE CN(CCn1cncn1)c1ccc2c(c1)NC(=O)[C@H]2O 2169986280 FFVOCDSXFFEMNE-LBPRGKRZSA-N 273.296 0.400 10 10 CCCE Nc1cc2c(cc1N1C[C@@H]3OC(=O)N[C@@H]3C1)OCCO2 2176920641 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Cc1cccc(CNC(=O)CC2(O)CNC2)c1O 2084056845 MSAZQRUYROJLAG-UHFFFAOYSA-N 250.298 0.041 10 10 CCCE Cc1cccc(CNC(=O)[C@H]2COCCO2)c1O 2084057441 UNYHOQSRNMAVPS-LLVKDONJSA-N 251.282 0.732 10 10 CCCE C[C@@H]1CNC[C@@H]1CS(=O)(=O)NCc1ccccc1O 2087407948 JKMJYLXGYXFEOH-ZYHUDNBSSA-N 284.381 0.667 10 10 CCCE O=C1CCC[C@H](CNC(=O)c2cccc(O)c2O)N1 2089286212 LQRPKUPZEOHBPU-MRVPVSSYSA-N 264.281 0.496 10 10 CCCE CN(CCc1cnc[nH]1)C(=O)c1cc(O)nc(O)c1 2089675071 WDIAPHBPQCDMNI-UHFFFAOYSA-N 262.269 0.531 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC([C@H](F)CO)C2)cc1 2110594233 HJRGQKGKVZBSEJ-GFCCVEGCSA-N 288.344 0.361 10 10 CCCE COC[C@@H](CC(=O)O)NC(=O)Cc1ccc(N)cc1 2092768678 SUIRVUJZHGQYEV-LLVKDONJSA-N 266.297 0.417 10 10 CCCE Nc1ccc(CS(=O)(=O)Nc2ccnc(O)n2)cc1 2097517790 VYJMQIUEIQQYLX-UHFFFAOYSA-N 280.309 0.706 10 10 CCCE C[C@]1(O)CN(c2ccc(CO)cc2[N+](=O)[O-])CC[C@H]1O 2201543424 KSEIXKSYUKEHIV-OLZOCXBDSA-N 282.296 0.409 10 10 CCCE Oc1cccc(CNCC2CN(C3COC3)C2)c1O 2114705838 FCAGSLQQNVKJIL-UHFFFAOYSA-N 264.325 0.518 10 10 CCCE CN1CCN(c2c(F)cc(CN)cc2F)[C@H](CCO)C1 2202820786 OCXIVTCGZLUJQR-LLVKDONJSA-N 285.338 0.926 10 10 CCCE CN(C)C[C@@H]1COC[C@H]1Nc1c(N)cccc1C(N)=O 2206386600 GHAHCZCZVOZITD-BXKDBHETSA-N 278.356 0.356 10 10 CCCE CN(C)c1ccc(CN[C@H]2COC[C@@H]2S(C)(=O)=O)cc1 2207468137 YWMOCQYNMVWKAE-KBPBESRZSA-N 298.408 0.654 10 10 CCCE CC(C)Oc1ccc(N2CC(O)(C(N)=O)C2)cc1 2219603971 YXIOPKYGIXCZLM-UHFFFAOYSA-N 250.298 0.510 10 10 CCCE N[C@H]1[C@H]2C[C@@H](CN(Cc3ccccc3O)C2)[C@@H]1CO 2230870797 BAVWJSBGLMVEGV-ABHRYQDASA-N 262.353 0.780 10 10 CCCE NC(=O)c1cccc(N)c1N[C@@H]1CCC[C@@H](O)[C@@H]1O 2224291307 FTNKZZTXIBDWKY-CKYFFXLPSA-N 265.313 0.054 10 10 CCCE COc1ccc(N2C[C@H]3[C@@H](C2)OC(=O)N3C)c(CN)c1 2235967645 IVQKXLCHQSOFRN-QWHCGFSZSA-N 277.324 0.793 10 10 CCCE COc1ccc(N2C[C@@H]3[C@@H](CO)CO[C@H]3C2)c(CO)c1 2236002833 OJFPICJZDFMNLE-LNSITVRQSA-N 279.336 0.631 10 10 CCCE O[C@@H]1CN(c2ccc3c(c2)CCCO3)[C@H](CF)[C@H]1O 2226674838 RIORDAHDXDPYCV-YRGRVCCFSA-N 267.300 0.892 10 10 CCCE COc1ccc(N2C[C@H](O)[C@H](N(C)C)C2)cc1OC 2226808282 VALFBPUMISNXON-NEPJUHHUSA-N 266.341 0.815 10 10 CCCE O=c1c2c(ccn1C[C@@]13CCOC[C@@H]1C3)CCNC2 2228659418 NTWOHLQTRLZGOB-WFASDCNBSA-N 260.337 0.921 10 10 CCCE CC1(C)OCCN[C@@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 2253897808 KUUJQNZTPQVJBV-KBVBSXBZSA-N 254.330 0.019 10 10 CCCE Cc1nn(C)cc1[C@](C)(NCCCN=[N+]=[N-])C(N)=O 2270987501 GJQBDRLJWFELMJ-NSHDSACASA-N 265.321 0.719 10 10 CCCE CC[C@H]1[C@H](N)CCN1C(=O)c1cc(O)c(O)c(O)c1 2273238845 RQNKNPVLLAABCJ-BDAKNGLRSA-N 266.297 0.755 10 10 CCCE C[C@H]1[C@@H](O)CCN1c1ccc2c(c1)N(C)C(=O)[C@@H]2O 2273244252 OHPUDVCKZPRRDI-AQUOVQTQSA-N 262.309 0.656 10 10 CCCE CCC[C@]1(NCc2ccc(O)c(O)c2O)CCNC1=O 2289920864 LERGLAAJKBEQOJ-AWEZNQCLSA-N 280.324 0.952 10 10 CCCE Cn1c(=O)cc(O)n(CCc2ccc(N)cc2)c1=O 2265857312 JDEFWLVCUFAEKI-UHFFFAOYSA-N 261.281 0.078 10 10 CCCE Nc1ccc(OCC(=O)N[C@H]2CCNCC2(F)F)cc1 2279113841 ZUJJITNWVFZNOY-NSHDSACASA-N 285.294 0.761 10 10 CCCE Cc1cc(CN)ccc1N1CC[C@@H](S(=O)(=O)N(C)C)C1 2279260957 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C[C@H]1COCC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 1148590016 VMICPALNXQJZNN-IONNQARKSA-N 267.281 0.958 10 10 CCCE Nc1ccc(NS(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1 36283848 PYVHBMBMLFMNNR-SNVBAGLBSA-N 290.366 0.198 10 10 CCCE O=[N+]([O-])c1ccc(N2CCS(=O)CC2)cc1CO 236509073 FMTAPCVFGIZXHS-UHFFFAOYSA-N 270.310 0.656 10 10 CCCE COC(=O)[C@]1(c2cc(O)c(O)c(O)c2)CCNC1 1951734347 MIEMWKSQYNGEHS-GFCCVEGCSA-N 253.254 0.208 10 10 CCCE NC[C@@H](O)c1c(O)c(O)cc(Br)c1F 258693815 VCJITIMIDVEMRA-RXMQYKEDSA-N 266.066 0.992 10 10 CCCE CN(C)c1ccc(CNC(=O)C2CC(O)(CN)C2)cc1 2166537285 FZCABRYMECEGRS-UHFFFAOYSA-N 277.368 0.469 10 10 CCCE CC(=O)C(=O)COC(=O)c1scc2c1OCCO2 848815604 IMIHIXKKBDAYIQ-UHFFFAOYSA-N 270.262 0.834 10 10 CCCE C[C@@H](C(=O)O)S(=O)(=O)NCc1ccc(N)cc1 42524180 OIANXFXBIOULHM-ZETCQYMHSA-N 258.299 0.161 10 10 CCCE O=S(=O)(NCc1ccc(N2CCCC2)cc1)C1CNC1 923586103 BCELSVIXILLACM-UHFFFAOYSA-N 295.408 0.678 10 10 CCCE CO[C@@H](C(=O)O)C1([C@@H](N)Cc2ccc(O)c(O)c2)CC1 1952889909 KMYNPAQQCXTBDV-RYUDHWBXSA-N 281.308 0.847 10 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10 10 CCCE O=C(N[C@H]1CCNC[C@H]1F)c1cc(O)c(O)c(O)c1 2132414569 YEUGUHJAJVGNDY-SFYZADRCSA-N 270.260 0.233 10 10 CCCE N[C@H](CNC(=O)c1cc(O)c(O)c(O)c1)C(F)(F)F 2132414598 YNBHUHDHPQTQBS-SSDOTTSWSA-N 280.202 0.423 10 10 CCCE COCC1(NS(=O)(=O)Cc2ccc(N)cc2)COC1 2132736302 AZQVTYCETFQZII-UHFFFAOYSA-N 286.353 0.104 10 10 CCCE COC(=O)[C@](C)(NCCN=[N+]=[N-])c1ccn(C)n1 1912155844 MQFBWRWLWAMEPJ-SNVBAGLBSA-N 252.278 0.708 10 10 CCCE CS(=O)(=O)NCC(=O)N1CCCC[C@@H](CN=[N+]=[N-])C1 1912200447 HRPXYKZZEYDZGO-VIFPVBQESA-N 289.361 0.475 10 10 CCCE C[C@]1(C(=O)O)CC[C@@H](NC(=O)c2cc(O)nc(O)c2)C1 1915953675 FWGUCMZHWRTHIQ-OQPBUACISA-N 280.280 0.866 10 10 CCCE CO[C@H](C)CNS(=O)(=O)Cc1ccc(N)cc1 223641228 ZRPBBYLFTMODJX-SECBINFHSA-N 258.343 0.723 10 10 CCCE CN(C)c1cnc(C(=O)NCc2ccc(O)cc2O)cn1 1469161328 YDDVAQDRIOJLMU-UHFFFAOYSA-N 288.307 0.884 10 10 CCCE CN1CCC[C@@H]1CNC(=O)COc1ccc(N)cc1 225919738 TZAOXIDCMCXHCG-GFCCVEGCSA-N 263.341 0.858 10 10 CCCE COC(=O)C(NCc1ccc(C)cc1O)C(=O)OC 106297450 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Nc1ccc(CCOC[C@@H](O)CN2CCCC2=O)cc1 2176292465 SGRPRHNGBOTLHL-AWEZNQCLSA-N 278.352 0.811 10 10 CCCE C[C@@H]1OCCN(Cc2ccc(O)c(O)c2)[C@H]1C(=O)O 380918425 LEPIPIQFDDRPGC-QPUJVOFHSA-N 267.281 0.772 10 10 CCCE CCNCc1ccc(N2CCC[C@@](O)(C(N)=O)C2)cc1 383590933 RHYYVWNJOQJAON-HNNXBMFYSA-N 277.368 0.613 10 10 CCCE CC(C)[C@](C)(NS(=O)(=O)Cc1ccc(N)cc1)C(N)=O 383566204 YFWUDUPZSGPEEE-ZDUSSCGKSA-N 299.396 0.588 10 10 CCCE COc1cc(=NC(=O)COc2ccc(N)cc2)[nH]n1C 383613826 SRNTZWRGWURTKM-UHFFFAOYSA-N 276.296 0.450 10 10 CCCE CN[C@@H](C)c1ccc(N2CC(O)(COC)C2)cc1O 384137466 MOMHJQXQTVGCFP-JTQLQIEISA-N 266.341 0.870 10 10 CCCE COc1ccc(O)c([C@H](C)N[C@H](CO)CN(C)C)c1 716753729 PZSPBIZQMIJGKJ-QWRGUYRKSA-N 268.357 0.974 10 10 CCCE CCOC(=O)[C@@]1(NCCN=[N+]=[N-])CCOC[C@@H]1OC 389174447 JHQPAEIYLKBHAM-GXSJLCMTSA-N 272.305 0.624 10 10 CCCE CN1C(=O)[C@H](O)c2ccc(N3CCO[C@H](CF)C3)cc21 2172040816 HVMSYTBQPLNKHU-ZWNOBZJWSA-N 280.299 0.871 10 10 CCCE O=C(Nc1ccc(O)c(O)c1)[C@@H]1CCN2CCOC[C@H]12 2065011152 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260.297 0.794 10 10 CCCE Cc1cc(N2CC[C@H](O)[C@H](O)C2)ccc1[C@H](C)O 2257479154 WZGDHQVQXZQYJD-LEWSCRJBSA-N 251.326 0.980 10 10 CCCE CNCc1ccc(N2CC[C@H]2[C@@H](O)CO)c(C)c1 2258334831 AEQDMYFYAPFQGV-KBPBESRZSA-N 250.342 0.646 10 10 CCCE Cc1cc([C@@H](C)O)ccc1N1CC[C@H]1[C@H](O)CO 2258309875 ZAKIPWDJMJOHQE-DDTOSNHZSA-N 251.326 0.980 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)C[C@H]2CNCC23CC3)C1 2261045746 HDUKODQOMLPUHF-DCAQKATOSA-N 250.342 0.642 10 10 CCCE Nc1ccc(CC(=O)N2CC(O)(C(F)(F)CO)C2)cc1 2288531212 OMOXEUGJYYPPBQ-UHFFFAOYSA-N 286.278 0.012 10 10 CCCE Nc1ccc(N2C(=O)[C@@H]3COC[C@@H]3C2=O)cc1F 2316474381 GWBOTOFQQLOOKG-OCAPTIKFSA-N 250.229 0.544 10 10 CCCE C[C@H](c1ccccc1O)N(C)C1(C(=O)O)CNC1 2322579058 NVEZLIVBYXLMID-SECBINFHSA-N 250.298 0.812 10 10 CCCE O=C(N[C@H]1C[C@H](CO)[C@H]2C[C@@H]12)c1cc(O)nc(O)c1 2329879345 DZSPGCYBKMMRGP-KYXWUPHJSA-N 264.281 0.240 10 10 CCCE C[C@H]1COC[C@@H](C(=O)N[C@@H](C)c2ccccc2O)N1 2332172810 KOHMNPQMLNWFDE-NHCYSSNCSA-N 264.325 0.946 10 10 CCCE 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261.325 0.829 10 10 CCCE Nc1ccc(-n2ccnc2C[C@@H]2COCCN2)cc1 76167448 HELAHCZZWDMJMC-GFCCVEGCSA-N 258.325 0.985 10 10 CCCE COCCNC(=O)CCNCc1ccc(O)c(O)c1 134392611 FJSAOOSIBPLJTR-UHFFFAOYSA-N 268.313 0.340 10 10 CCCE NS(=O)(=O)CCNCc1ccc2c(c1)CCCO2 1964546064 ZGGCFTINNBYSNY-UHFFFAOYSA-N 270.354 0.390 10 10 CCCE Nc1ccc(CN2CCC([C@H](O)CO)CC2)cc1 1964647213 KYSVYUVKXZJNHB-CQSZACIVSA-N 250.342 0.834 10 10 CCCE NCCN1CCN(c2ccc3c(c2)CCC(=O)N3)CC1 82585950 RQZANEYZIFCORW-UHFFFAOYSA-N 274.368 0.652 10 10 CCCE CN(Cc1ccccc1O)C(=O)C1(C)CS(=O)(=O)C1 1964874363 QZPNAWXJVYOKFJ-UHFFFAOYSA-N 283.349 0.785 10 10 CCCE N[C@H](c1nnc([C@H]2C[C@@H](O)CN2)o1)c1ccccc1O 83547499 VWEXGMGLMZDRTD-ZOFUNIGCSA-N 276.296 0.219 10 10 CCCE O=C(Cc1nc2ncccn2n1)NCc1c(O)cccc1O 1178906268 ZXPJVNLJWQOTAA-UHFFFAOYSA-N 299.290 0.394 10 10 CCCE Nc1ccc(O)c(CNC(=O)NC2CCOCC2)c1 1893244161 UPPWSXUMUBDPSZ-UHFFFAOYSA-N 265.313 0.953 10 10 CCCE C[C@@]1(O)CCN(CCOc2ccc(N)cc2)C[C@H]1O 1893318198 MHGQFVSOAUDMEP-ZIAGYGMSSA-N 266.341 0.465 10 10 CCCE OC[C@H]1CNCCCN1c1ccc2c(c1)OCCO2 217096368 PFCGRNLSDJWMHL-GFCCVEGCSA-N 264.325 0.618 10 10 CCCE CCn1cc(S(=O)(=O)N2CCC(N=[N+]=[N-])CC2)nn1 1912159726 LTTUVVLXIAHZLB-UHFFFAOYSA-N 285.333 0.761 10 10 CCCE CS(=O)(=O)N1CCC[C@@H](N2CC(N=[N+]=[N-])C2)C1 1912176575 AUTVJNSXDQSWST-SECBINFHSA-N 259.335 0.405 10 10 CCCE CCN1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1=O 1556140798 PNBJASNRPVWQMD-UHFFFAOYSA-N 278.308 0.331 10 10 CCCE [N-]=[N+]=NCC1CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 1912162195 SUWAZPDUBLUYLA-VIFPVBQESA-N 251.290 0.814 10 10 CCCE Nc1ccc(NC(=O)CCN2C[C@H]3COC[C@H]32)cc1 2129812574 WXINAYPAVKIADS-GXFFZTMASA-N 261.325 0.928 10 10 CCCE CN1CCC[C@H]1CNC(=O)c1cc(O)c(O)c(O)c1 2132349615 FRDKNNWCZSKAKL-VIFPVBQESA-N 266.297 0.627 10 10 CCCE Cc1ncc(CNC(=O)c2cc(O)c(O)c(O)c2)[nH]1 2132405115 WXFFTZUKEYBNCN-UHFFFAOYSA-N 263.253 0.765 10 10 CCCE C[C@H](F)[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)C(=O)O 2133560799 XWUZWFINOUKULE-RNHFCUEFSA-N 273.216 0.344 10 10 CCCE COCC[C@](C)(O)CNC(=O)c1ccc(O)c(O)c1 227036706 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CNCc1ccc(N(C)[C@@H]2COC[C@H]2O)c(F)c1 708057651 WKTHZDZTZRZXGJ-CHWSQXEVSA-N 254.305 0.741 10 10 CCCE Nc1ccc(CCNC(=O)[C@H]2CCCC(=O)N2)cc1 709682987 VZRUSDZOSCMCRG-GFCCVEGCSA-N 261.325 0.596 10 10 CCCE Cn1ccnc1CN(CC(N)=O)Cc1ccc(N)cc1 689514401 PAJRLWFHCOTBLD-UHFFFAOYSA-N 273.340 0.490 10 10 CCCE COC(=O)C1(O)CN(c2ccc(CNC3CC3)cc2)C1 714462585 QQLNBBOSCCHVEO-UHFFFAOYSA-N 276.336 0.663 10 10 CCCE Nc1ccc(CC(=O)N2CCOC[C@@H]2CCO)cc1 694950067 IOMDYDKXHQTZDP-ZDUSSCGKSA-N 264.325 0.421 10 10 CCCE Nc1ccc(OCC(=O)N[C@H](CO)C2CCC2)cc1 717659332 ZSDPTQIXHNJCDC-CYBMUJFWSA-N 264.325 0.925 10 10 CCCE O=C(O)[C@@H]1[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@H]21 721656428 XPGUZNRLINIVIS-VAOFZXAKSA-N 278.264 0.286 10 10 CCCE C[C@H](O)[C@H]1CN(c2ccc3c(c2)NC(=O)[C@@H]3O)CCO1 2174148378 CSVDCIADJQSTJK-ZEGGKSINSA-N 278.308 0.258 10 10 CCCE C[S@@](=O)CC1CN(C(=O)CCOc2ccc(N)cc2)C1 2166651506 LXKZRBOVRJIMAK-HXUWFJFHSA-N 296.392 0.875 10 10 CCCE CN(C[C@H]1[C@@H]2COC[C@@H]21)C(=O)COc1ccc(N)cc1 2174705770 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0.187 10 10 CCCE CO[C@H]1COC[C@H]1NC(=O)c1ccc(O)c(O)c1 2057136589 BJIBIKUWKYGEOZ-KCJUWKMLSA-N 253.254 0.241 10 10 CCCE COc1cccc(O)c1CN[C@@H]1CCNC(=O)C1 2066256080 XJJZFTQBJGMJRH-SECBINFHSA-N 250.298 0.769 10 10 CCCE Nc1ccc(OC[C@H](O)CN2C[C@H]3COCC[C@@H]32)cc1 2193280831 ZOTZLSMSMDUPCO-LNSITVRQSA-N 278.352 0.729 10 10 CCCE CNCC[C@@H](C)NS(=O)(=O)Cc1ccc(N)cc1 2071733264 BIMJWFUTAWYVQC-SNVBAGLBSA-N 271.386 0.686 10 10 CCCE C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C(C)(C)N 2076541085 YYMLWDFGYOWJFL-MRVPVSSYSA-N 252.314 0.882 10 10 CCCE CC[C@@H](C)[C@H](CO)NC(=O)c1cc(O)nc(O)c1 2081228273 PJYBGCHRKYJBQD-APPZFPTMSA-N 254.286 0.630 10 10 CCCE COc1ccc(O)c(CN[C@@H]2CO[C@@H]3COC[C@H]23)c1 2101875305 DMSBBFOJGLKRQJ-YRGRVCCFSA-N 265.309 0.904 10 10 CCCE OCc1cc(F)c(N2C[C@H](O)[C@@H]3COC[C@H]32)c(F)c1 2102178699 VXUOXVPPIDCIQF-FXAINCCUSA-N 271.263 0.653 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@@H]1CCOC[C@H]1N 2102773176 HQPMVHLHXLBFRV-VXGBXAGGSA-N 264.325 0.714 10 10 CCCE [N-]=[N+]=N[C@H]1CCN(C(=O)[C@H]2CCc3nncn3C2)C1 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O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCC[C@@H](O)[C@H]1O 2232556236 MZMBMMMJHMWXLZ-UDZFHETQSA-N 281.308 0.031 10 10 CCCE Cc1cc([C@H](C)O)ccc1N1C[C@H](O)C[C@H]1CO 2223975611 QBHJKNURKRIVHT-WCFLWFBJSA-N 251.326 0.980 10 10 CCCE Cc1cc(N2C[C@H]3COC[C@@]3(CO)C2)ccc1CO 2226169360 QVGVTIXHNUXLKZ-ZFWWWQNUSA-N 263.337 0.932 10 10 CCCE C[C@]1(C(=O)O)C=CCN1C(=O)c1cc(O)c(O)c(O)c1 2237176833 NCJDMPRRRVICAS-CYBMUJFWSA-N 279.248 0.659 10 10 CCCE COC(=O)c1ncc[nH]c1=NCc1cc(N)ccc1O 2237542619 NVZQCLAWZXRHGV-UHFFFAOYSA-N 274.280 0.585 10 10 CCCE COc1ccc(N2C[C@@H](O)C[C@@]2(C)CO)c(CO)c1 2227709226 RGPKHKIOPAKCNR-FZMZJTMJSA-N 267.325 0.510 10 10 CCCE CNCc1ccc(N2CC[C@H](O)[C@@H](O)CC2)cc1 2256967231 QGOYCWCXLXFHTL-KBPBESRZSA-N 250.342 0.728 10 10 CCCE CNCc1ccc(N2CC[C@@H]2[C@@H](O)CO)cc1OC 2270680872 QLZXAXLAKHGQIA-OLZOCXBDSA-N 266.341 0.347 10 10 CCCE OC[C@H](O)[C@H]1CCN1c1ccc2c(c1)OCCCO2 2270714554 XSTYKZNCQKVXCJ-NEPJUHHUSA-N 265.309 0.780 10 10 CCCE C[C@@H](O)c1ccc(N2C[C@H](O)C[C@H]2CO)cc1O 2313617872 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O=C(c1cccc(O)c1O)N1C[C@@H]2C[C@H](O)[C@@H](O)[C@H]1C2 2355343232 ASSMESJVFDQDTA-PYEWSOSRSA-N 279.292 0.054 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1C[C@@H]2CC[C@H]1N2 2355435797 VPNHOWZPABJYTJ-SDDRHHMPSA-N 276.336 0.897 10 10 CCCE C[C@@H](N[C@H]1CC(=O)N(C)C1)c1c(O)cccc1O 311089254 YIZGCQUZJOIVKO-BDAKNGLRSA-N 250.298 0.979 10 10 CCCE CN(C)C(=O)NCCNCc1ccc(O)cc1O 132241221 YLIVIFRGZRZDSV-UHFFFAOYSA-N 253.302 0.459 10 10 CCCE COC(=O)CS(=O)(=O)Nc1ccc(O)cc1F 85203938 PQISOYVYYULOOT-UHFFFAOYSA-N 263.246 0.446 10 10 CCCE NC(=O)CN(Cc1ccc(N)cc1)c1ncns1 87642947 WGBNYRWHALQYQR-UHFFFAOYSA-N 263.326 0.612 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3C[C@@H](CO)OC[C@@H]3C)ccc21 221137963 FLFMZKWSYKZVQX-CHIMOYNISA-N 291.351 0.485 10 10 CCCE COc1ccc(CN2CCNC[C@H]2C(=O)N(C)C)c(O)c1 89084104 DKEZEIGQBDMHRF-ZDUSSCGKSA-N 293.367 0.263 10 10 CCCE C[C@H]1CS(=O)(=O)C[C@@H]1Nc1c(N)cccc1C(=O)O 712311017 PKJBLYAUMUNFCH-XVKPBYJWSA-N 284.337 0.812 10 10 CCCE C[C@](O)(CO)[C@@H](N)c1cc(Br)ccc1O 713786278 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CNCc1ccc(N2CCOC[C@@H]2CO)c(C)c1 168318432 XTFJUXFHUXOLGQ-ZDUSSCGKSA-N 250.342 0.912 10 10 CCCE COCCNCc1ccc(N2CCOC[C@H]2CO)c(C)c1 168331629 HMHTXRSSEANCRJ-OAHLLOKOSA-N 294.395 0.929 10 10 CCCE CNCc1ccc(N2C[C@H](O)[C@H](O)C2)cc1C(F)(F)F 234381586 WIAFLDYRMNAMKD-TXEJJXNPSA-N 290.285 0.967 10 10 CCCE C[C@H](NC(=O)[C@@H](N)CCN(C)C)c1ccccc1O 870988694 XETUMKDMVMWKAA-JQWIXIFHSA-N 265.357 0.848 10 10 CCCE Nc1ccc(NC(=O)NCC[C@@H]2CNCCO2)cc1 1876164191 UFSQIATWQKYUMY-GFCCVEGCSA-N 264.329 0.769 10 10 CCCE Nc1ccc(OCC(=O)NC[C@]23C[C@H](CO2)C3)cc1 1879830392 NUVZHYGWYXXPGR-WJONMLJTSA-N 262.309 0.943 10 10 CCCE O=C(O)[C@H]1CCN(Cc2ccccc2O)C[C@H]1C(=O)O 1963603792 IEHMTRXOGPPBQN-WDEREUQCSA-N 279.292 1.000 10 10 CCCE O=C(CCNCc1c(O)cccc1F)N1CCOCC1 1964022330 SZVMTGNMGFXUDE-UHFFFAOYSA-N 282.315 0.870 10 10 CCCE C[C@@H](NC[C@@H]1CCS(=O)(=O)N1)c1ccc(F)cc1O 1967529680 JVLCFEBDRDQAMT-SCZZXKLOSA-N 288.344 0.874 10 10 CCCE CN(CC(=O)NC[C@H]1CCCO1)c1ccc(CN)cc1 1967633792 CJOKACZUCYCNSZ-CQSZACIVSA-N 277.368 0.877 10 10 CCCE C[C@H]1C[C@@H]1CNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 159270739 CIZLDHBJVUDMRD-GDPRMGEGSA-N 264.325 0.740 10 10 CCCE CNC(=O)[C@@H]1COCCN1C(=O)Nc1ccc(N)cc1 160028292 XQAOEAARVQMVFG-NSHDSACASA-N 278.312 0.248 10 10 CCCE COc1cc(N)c(N2CC[C@@H](C)[C@@H]2C(N)=O)cc1OC 2146452331 MYTAIPWXOYELDG-AMIZOPFISA-N 279.340 0.986 10 10 CCCE CN(C)C(=O)CN(C)S(=O)(=O)Cc1ccc(N)cc1 37270500 LSSWYIWUOYIAOJ-UHFFFAOYSA-N 285.369 0.119 10 10 CCCE C[C@@H](NC(=O)N(C)Cc1ccc(N)cc1)C(=O)O 2039303727 AEZBXTFPOISMNQ-MRVPVSSYSA-N 251.286 0.883 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CCO[C@H]2CCNC[C@H]21 404181759 HRVSDNDKEMQXKF-MFKMUULPSA-N 278.308 0.301 10 10 CCCE O[C@H]1COC[C@H]1NCc1ccc(N2CCOCC2)cc1 323822262 KKKQEYIDVOBHPD-CABCVRRESA-N 278.352 0.373 10 10 CCCE COCCN1CC[C@](NCCN=[N+]=[N-])(C(=O)O)C1 328467675 JYEJEEZUBKXJJX-SNVBAGLBSA-N 257.294 0.062 10 10 CCCE CC(=O)c1ccc(O)c(CN2C[C@H]3C[C@H]2[C@@H](O)[C@@H]3O)c1 2160691756 YHHGNZMTWOYZCX-AYRXBEOTSA-N 277.320 0.521 10 10 CCCE C[C@]12CNC[C@H]1CN(C(=O)c1ccc(O)c(O)c1)C2 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CN(CCCCO)S(=O)(=O)Cc1ccc(N)cc1 385093931 LSWZCSJYXBEGDE-UHFFFAOYSA-N 272.370 0.803 10 10 CCCE CN(C)c1ccc(CNC(=O)c2nn(C)cc2N)cc1 725203139 JPECSSYMEQIDTG-UHFFFAOYSA-N 273.340 0.998 10 10 CCCE COc1cccc(CN2CC[C@@]3(CNC(=O)N3)C2)c1O 2177680127 JVZZCRVOYOLGIT-CQSZACIVSA-N 277.324 0.658 10 10 CCCE [N-]=[N+]=NCC1CCN(C(=O)C2[C@@H]3CS(=O)(=O)C[C@@H]23)CC1 2174576004 JIYBGPBIKZBFIR-NXEZZACHSA-N 298.368 0.826 10 10 CCCE O=C(O)C[C@@H]1COC[C@H]1NC(=O)c1ccc(O)c(O)c1 2187925238 GRBOJLDJZMCRTQ-RKDXNWHRSA-N 281.264 0.317 10 10 CCCE N[C@@H]1CC(C(=O)N2CCCOc3ccccc32)=C[C@H]1O 2188017925 BTZIODZAFBSGRY-DGCLKSJQSA-N 274.320 0.820 10 10 CCCE CC(=O)N[C@@H](CN(C)[C@@H](C)c1ccccc1O)C(=O)O 2192598270 NKBPZOLZVPPSJU-CABZTGNLSA-N 280.324 0.974 10 10 CCCE CO[C@@H]1C[C@H](CO)N(c2ccc(CO)c([N+](=O)[O-])c2)C1 2188573989 MRJHYVNRTQAQKC-VXGBXAGGSA-N 282.296 0.673 10 10 CCCE CO[C@H]1COCC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2188868896 YSPBIUMJSUULEL-KCJUWKMLSA-N 283.280 0.337 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3CC(CCO)C3)ccc21 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CC1(C)[C@H](C(=O)O)[C@H]1NC(=O)c1cc(O)nc(O)c1 2104624690 KKDYQXBFJQDWBS-DTWKUNHWSA-N 266.253 0.332 10 10 CCCE C[C@@H](O)c1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CF)cc1 2084797366 IHLQQPKXFCRCQB-YJRXYDGGSA-N 255.289 0.620 10 10 CCCE Nc1cc(O)ccc1NS(=O)(=O)N1CCC[C@@H]1CO 2105537317 RCXCIPIJOCLTQQ-MRVPVSSYSA-N 287.341 0.088 10 10 CCCE COc1ccc(N2CCNC[C@]2(C)CO)cc1OC 2106575484 ZENVVPWDHITQPN-CQSZACIVSA-N 266.341 0.864 10 10 CCCE CN(C)c1ccc([C@@H](O)[C@@H](N)CCS(C)(=O)=O)cc1 2106795710 JUIMEOWPUAWMRX-QWHCGFSZSA-N 286.397 0.548 10 10 CCCE COc1cc2c(cc1OC)N([C@H]1COC[C@H]1O)CC2 2087169124 RUEVQJAUSKWRQD-NWDGAFQWSA-N 265.309 0.826 10 10 CCCE CC[C@@]1(NC(=O)c2cc(O)nc(O)c2)CCCNC1 2088177578 WTQFGLPSTZBZKQ-CYBMUJFWSA-N 265.313 0.755 10 10 CCCE Cc1ccc([C@H](C)N[C@@H]2C[C@H](O)[C@@H](O)[C@@H]2O)c(O)c1 2108832655 QMXFLMDQFDPOKZ-MAEJKLRXSA-N 267.325 0.206 10 10 CCCE CNC1(C(N)=O)CN(c2ccc3c(c2)C[C@H](C)O3)C1 2109483707 GEGHETZONSZYKP-VIFPVBQESA-N 261.325 0.274 10 10 CCCE Nc1ccc(O)c(CNC(=O)CCn2cncn2)c1 2090279345 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COc1ccc(N2C[C@@H](CO)[C@@H](CO)C2)c(CN)c1 2227676214 SCGYTAWWSZPNEX-TXEJJXNPSA-N 266.341 0.191 10 10 CCCE O=c1c2c(ccn1C[C@@H]1C[C@@]13CCOC3)CCNC2 2228663906 PWHDDHDOQZDQLR-SWLSCSKDSA-N 260.337 0.921 10 10 CCCE Cc1cc(N2CC[C@@H](O)[C@H](O)C2)ccc1[C@@H](C)O 2257480895 WZGDHQVQXZQYJD-LERXQTSPSA-N 251.326 0.980 10 10 CCCE O=C(O)[C@@H]1CO[C@H]2CN(Cc3ccccc3O)C[C@H]2O1 2279857244 OYINQEFXNRIEQE-XQQFMLRXSA-N 279.292 0.445 10 10 CCCE Nc1ccc(OCC(=O)N[C@@]23CO[C@@H](C2)[C@@H](N)C3)cc1 2281186007 LFJDJMYNHOLWHJ-SGMGOOAPSA-N 277.324 0.023 10 10 CCCE COc1cc(OC)c(N2C[C@H](O)C[C@@H](O)C2)cc1OC 2289339090 FOYZMQNREILZNC-NXEZZACHSA-N 283.324 0.644 10 10 CCCE O=C(N[C@H]1CO[C@@H]2COC[C@@H]21)c1ccc(O)c(O)c1 2329408474 NELAONVAUHOZHG-VDDIYKPWSA-N 265.265 0.241 10 10 CCCE CN(C(=O)CCc1ccc(N)cc1)[C@H]1CNC[C@@H]1F 2343633803 GNGYTMAHOZVOBJ-STQMWFEESA-N 265.332 0.970 10 10 CCCE O=C(N[C@H]1C[C@@]2(C[C@H]2C(=O)O)C1)c1cc(O)nc(O)c1 2354277089 FPVKYSVVCMDFDO-UPFKWVMWSA-N 278.264 0.476 10 10 CCCE CN(CC(=O)O)c1cc2c(cc1N)OCC(=O)N2 51040301 QXBOCXROASJIFY-UHFFFAOYSA-N 251.242 0.121 10 10 CCCE C[C@H]1C[C@@](NCCN=[N+]=[N-])(C(=O)O)CN1C1CC1 123451558 YBBOPHFOVYDEOT-KWQFWETISA-N 253.306 0.966 10 10 CCCE NC1(c2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 1145306253 ZAQQIRHKXNFLHP-UHFFFAOYSA-N 266.366 0.869 10 10 CCCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cncnc1N 194227406 MHUPGYKLKHRHHH-QMMMGPOBSA-N 288.307 0.831 10 10 CCCE CC(=O)N[C@H]1CCN(c2cc3c(cc2N)OCC(=O)N3)C1 133579070 NFWHQQZBUANGCY-VIFPVBQESA-N 290.323 0.315 10 10 CCCE CC(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 40457749 RMDDRWNFFZYEIL-VIFPVBQESA-N 252.314 0.882 10 10 CCCE O=C(O)[C@H]1CN(Cc2ccc(O)cc2O)CCO1 86805140 QCKWFKQNVABVBS-LLVKDONJSA-N 253.254 0.383 10 10 CCCE C[C@@H](C(N)=S)N(C)C(=O)c1ccc(O)c(O)c1 235484054 MPCGWGZLSWLFBE-LURJTMIESA-N 254.311 0.844 10 10 CCCE CC(=O)N(C(=S)NC[C@@H](C)O)c1ccc(N)cc1 244529833 ZSKUXUQMIRBRDT-MRVPVSSYSA-N 267.354 0.877 10 10 CCCE CC(=O)C(=O)COC(=O)[C@H](C)NC(=O)c1ccco1 808484480 PRWUSOPLQCAZMV-ZETCQYMHSA-N 267.237 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N[C@H]1COC[C@@H]1Cc1nc(-c2ccc(O)c(O)c2)no1 2187954248 OPOZLXBEUSMDQN-IUCAKERBSA-N 277.280 0.664 10 10 CCCE CN(CC1COCCOC1)C(=O)c1ccc(O)c(O)c1 2188058187 KWNDKNCBQKCKHS-UHFFFAOYSA-N 281.308 0.833 10 10 CCCE CC(=O)c1ccc(O)c(CN2C[C@@H](O)[C@@H](O)C2(C)C)c1 2181214798 MGBBSQUHWHWSCD-ZIAGYGMSSA-N 279.336 0.911 10 10 CCCE CC1(C)CN(C(=O)c2cc(O)c(O)c(O)c2)CC[S@@]1=O 2188922595 HZXONBUUQREXQH-FQEVSTJZSA-N 299.348 0.787 10 10 CCCE Nc1ccc(NC(=O)[C@@H]2OCC[C@@H]2C(=O)O)cc1 2043945821 BKSKWWOBNHMPHQ-VHSXEESVSA-N 250.254 0.697 10 10 CCCE O=S1(=O)C[C@H]2C(NCc3cc(F)ccc3O)[C@@H]2C1 2054275029 HWMGQTKUVFMETI-NXEZZACHSA-N 271.313 0.664 10 10 CCCE NCc1cc(F)c(N2C[C@@H](CO)[C@@H](O)C2)cc1Cl 2057250123 TVWNXYNHQDDMMF-UFBFGSQYSA-N 274.723 0.727 10 10 CCCE O=S1(=O)C[C@@H](O)[C@@H](NCc2c(O)cccc2Cl)C1 2057717367 YIONPLKKRYYXJD-GXSJLCMTSA-N 291.756 0.293 10 10 CCCE Nc1ccc(OCCS(=O)(=O)N2CCC[C@@H](N)C2)cc1 2191534513 BSUBEOLVSPWOAF-GFCCVEGCSA-N 299.396 0.401 10 10 CCCE C[C@H](N)c1nc(NC(=O)CCc2ccc(N)cc2)n[nH]1 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Nc1ccc(OCC(=O)N2CCN3CC[C@H]2C3)cc1 381766689 ILZALBDVRCCKMX-LBPRGKRZSA-N 261.325 0.564 10 10 CCCE C[C@H]1[C@@H](CN)CCN1C(=O)c1ccc(O)c(O)c1 385881041 LEFDPQHHQSFOHJ-WCBMZHEXSA-N 250.298 0.907 10 10 CCCE Nc1ccc(CCC(=O)N[C@@]2(CO)CCOC2)cc1 393894349 CPGQFTPNBDTSJS-CQSZACIVSA-N 264.325 0.469 10 10 CCCE COc1ccc(CNC[C@H]2CN3CCN2CC3)c(O)c1 394708171 UFDPKWCMRDLPGV-ZDUSSCGKSA-N 277.368 0.490 10 10 CCCE NCc1cc(F)c(N2C[C@@H]3[C@@H](CO)CO[C@H]3C2)c(F)c1 2178088885 ZXOLPKAXIUSRKK-CWSCBRNRSA-N 284.306 0.867 10 10 CCCE CN(CC(=O)c1ccc(O)c(O)c1)Cc1ncn(C)n1 2178355015 GEVCZSXNMPGJEA-UHFFFAOYSA-N 276.296 0.541 10 10 CCCE COCC(=O)N1CCN(c2ccc(CN)c(C)c2)CC1 2182578601 SFHMYUQBAVRLRF-UHFFFAOYSA-N 277.368 0.749 10 10 CCCE CCNCc1ccc(N2C[C@@H]3C[C@H](C2)[C@H](O)[C@@H]3O)cc1 2182557223 TYCFRUVNRFYUBS-UPUJQMMVSA-N 276.380 0.974 10 10 CCCE C[C@]12CNC[C@H]1C[C@@H](NC(=O)c1cc(O)nc(O)c1)C2 2172909189 LFFLYYDQAQHHFY-RULNRJAQSA-N 277.324 0.611 10 10 CCCE CNCc1ccc(N2C[C@@H]3C[C@H](C2)[C@H](O)[C@@H]3O)c(C)c1 2182542557 JHVGSCUBIHZHLS-UPUJQMMVSA-N 276.380 0.892 10 10 CCCE COC(=O)C1(O)CN(c2c(F)cc([C@@H](C)N)cc2F)C1 2194709386 MOENEFVHIYQCIQ-SSDOTTSWSA-N 286.278 0.709 10 10 CCCE C[C@@H](OCCn1cncn1)C(=O)Nc1ccc(N)cc1 2184457880 JPDYUYHAXJEZRR-SNVBAGLBSA-N 275.312 0.904 10 10 CCCE O=C(NCc1ccccc1O)[C@H]1C[C@@H]2OCCN[C@@H]2C1 2199856655 UHARMIYKOWWETN-BZPMIXESSA-N 276.336 0.775 10 10 CCCE OC[C@]12CN(c3ccc4c(c3)CC[C@H]4O)C[C@]1(CO)C2 2184731534 JQPWPZXBQHZTGC-PMPSAXMXSA-N 275.348 0.847 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@]23CC[C@@H](CNC2)C3)cc1 2191632365 YQTIDVAUNYBMON-TZMCWYRMSA-N 295.408 0.830 10 10 CCCE Nc1ccc(OCCC(=O)NC[C@H]2[C@H]3CNC[C@H]32)cc1 2191720831 SPOFNJLLKFNGNL-BTTYYORXSA-N 275.352 0.619 10 10 CCCE CNCCN(C)S(=O)(=O)Nc1ccc(O)c(C)c1 2042215440 NROJIHGAWQTXAL-UHFFFAOYSA-N 273.358 0.509 10 10 CCCE CCC[C@@H](NC(=O)[C@H]1CNc2ccccc2N1)C(N)=O 2186468910 MRUKRYHETHZXET-VXGBXAGGSA-N 276.340 0.663 10 10 CCCE CN(C[C@@H]1CCN1C)c1cc2c(cc1F)[C@H](O)C(=O)N2 2186469187 PGPMRDMNLBSNDU-SDBXPKJASA-N 279.315 0.952 10 10 CCCE C[C@](C[C@H]1CCCS1(=O)=O)(NCCN=[N+]=[N-])C(=O)O 2100548605 QGHXZQVBDUGQPV-PSASIEDQSA-N 290.345 0.697 10 10 CCCE COC(=O)c1cccc(N)c1N[C@@H]1COC[C@H]1O 2046420706 BOVACULIZDYDMU-NXEZZACHSA-N 252.270 0.227 10 10 CCCE C[P@]1(=O)C[C@H](O)[C@@H](NCc2ccc(O)cc2O)C1 2057711468 ZMVCJNFPYRABJU-KWFDTGPKSA-N 271.253 0.923 10 10 CCCE Cc1cnn(C)c1CNC(=O)c1cc(O)c(O)c(O)c1 2188868507 SFQRGXLNQTYILM-UHFFFAOYSA-N 277.280 0.775 10 10 CCCE CC[C@H](O)CCNC(=O)c1cc(O)c(O)c(O)c1 2068576658 JSPFXZIUHKTVEF-QMMMGPOBSA-N 255.270 0.694 10 10 CCCE N[C@H]1C[C@H]2C[C@H]1C[C@H]2NC(=O)c1cc(O)c(O)c(O)c1 2188921922 DNOTYQBHQGDRQD-WPYKOPORSA-N 278.308 0.659 10 10 CCCE Cc1nnn(C)c1CNC(=O)c1cc(O)c(O)c(O)c1 2188917539 XTBGERMSDQDTNE-UHFFFAOYSA-N 278.268 0.170 10 10 CCCE C[C@H]1CNC[C@H]1CCNC(=O)c1cc(O)c(O)c(O)c1 2188913446 RWNJVHWKMIZCQY-DTWKUNHWSA-N 280.324 0.779 10 10 CCCE O=S(=O)(NCc1ccccc1O)N1CCC[C@H]1CO 2105591202 PNSWJBZUVQSSRP-NSHDSACASA-N 286.353 0.183 10 10 CCCE CNC(=O)[C@@H]1CNCCN1c1ccc2c(c1)CCO2 2106343621 FMOQBHSIMDSZHM-LBPRGKRZSA-N 261.325 0.146 10 10 CCCE Oc1ccc(CNCCc2nccc(O)n2)c(O)c1 2106918782 DPHVWQUPXFMMEK-UHFFFAOYSA-N 261.281 0.926 10 10 CCCE CNCc1ccc(N2CC(OCC(N)=O)C2)cc1Cl 2089136018 SVXMORJDIZCFNN-UHFFFAOYSA-N 283.759 0.750 10 10 CCCE Nc1cc2c(cc1N1CC(N3CCC3)C1)OCCO2 2095922449 LXCOTCUWFZMZGC-UHFFFAOYSA-N 261.325 0.934 10 10 CCCE Cc1nnn(C)c1CNC(=O)Cc1ccc(N)cc1 2096083906 JUMPQUSSOOONNC-UHFFFAOYSA-N 259.313 0.565 10 10 CCCE O=C(O)[C@H]1CC=CCN1C(=O)c1cc(O)nc(O)c1 2114315185 PNXLCZLOXIZUAQ-MRVPVSSYSA-N 264.237 0.348 10 10 CCCE Nc1ccc(OCCC(=O)N2C[C@H]3C[C@H]2[C@@H]3CO)cc1 2203129413 XBAZPYSUBLVNCL-HONMWMINSA-N 276.336 0.877 10 10 CCCE CNCc1ccc(N2C[C@H]3C[C@H]2[C@@H](O)[C@@H]3O)cc1OC 2204551496 SSRTWGDFJXUZCV-DZGBDDFRSA-N 278.352 0.345 10 10 CCCE COc1cc(N2C[C@@H]3C[C@H](C2)[C@H](O)[C@H]3O)ccc1CN 2204545762 SXZMYIBEHDWDKT-JLUCKKNBSA-N 278.352 0.332 10 10 CCCE N[C@@H]1CCCc2cc(N3C[C@H](O)[C@H](O)[C@H]3CF)ccc21 2205607333 FHFLPVXAYFUILW-APIJFGDWSA-N 280.343 0.903 10 10 CCCE CS(=O)(=O)C1CC(C(=O)NCc2ccc(N)cc2)C1 2269866504 LKDAKLUYBDHRBX-UHFFFAOYSA-N 282.365 0.708 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1C[C@H]2COC[C@]2(CO)C1 2234588141 ZAVJHYIVWPPPOG-IINYFYTJSA-N 279.292 0.179 10 10 CCCE COc1ccc(O)c(CN2C[C@@H]3CN[C@H](CO)[C@H]3C2)c1 2235566697 HWLBBBSXBZQNSQ-FPMFFAJLSA-N 278.352 0.413 10 10 CCCE NCc1ccc(N2CCN3C(=O)COC[C@@H]3C2)cc1Cl 2236934927 LRKWUYJPLGPCKR-LBPRGKRZSA-N 295.770 0.846 10 10 CCCE COc1ccc(N2CCN(C)C(=O)C2)c(C(=O)O)c1 2227677119 GGYWLJYPBUVZJY-UHFFFAOYSA-N 264.281 0.672 10 10 CCCE COc1ccc(N2CC[C@@H](O)C[C@@H]2CO)c(C=O)c1 2227693269 VDJCSPIGXPMGEH-VXGBXAGGSA-N 265.309 0.830 10 10 CCCE COc1ccc(N2CC(=O)N[C@@H]3CC[C@@H]32)c(CO)c1 2227712461 ZSABUDJWQMVSDZ-YPMHNXCESA-N 262.309 0.655 10 10 CCCE CNCc1cc(OC)ccc1N1CC[C@H](O)[C@H](O)CC1 2284536544 GFGGTLRXVCQEEX-GASCZTMLSA-N 280.368 0.737 10 10 CCCE Cc1cc(N2CCN(CCO)C(=O)C2)ccc1[C@H](C)N 2285137584 XEIOIGCRIKOFQL-LBPRGKRZSA-N 277.368 0.656 10 10 CCCE C[C@@H](O)CN(CCN)c1ccc2c(c1)COCC2 2257563525 FWILDRSIZMDKFH-LLVKDONJSA-N 250.342 0.905 10 10 CCCE NCc1ccc(N2CCC[C@H]3CNC(=O)[C@@H]32)c(F)c1 2264600428 QKHIVAONQUUDAO-GXFFZTMASA-N 263.316 0.999 10 10 CCCE CN(C)CCCN(CCN)Cc1ccc(O)c(O)c1 2265844613 BPQZZGZYYXKHLT-UHFFFAOYSA-N 267.373 0.810 10 10 CCCE Nc1ccc(OCCN=c2[nH]nc(C(=O)O)o2)cc1 2278000093 ABTDNCNOUCQCFN-UHFFFAOYSA-N 264.241 0.263 10 10 CCCE O=C(O)[C@]12CCO[C@H]1CN(Cc1ccc(O)cc1O)C2 2296381850 XRQFEMDBTZZOBZ-JSGCOSHPSA-N 279.292 0.773 10 10 CCCE C[C@H]1CCNC(=O)[C@H]1NC(=O)C=Cc1ccc(O)c(O)c1 2312535960 DDEVYZKWRYEJBJ-XPTSAGLGSA-N 290.319 0.752 10 10 CCCE NCc1cc(F)c(N2C[C@@H]3[C@H](C2)CS3(=O)=O)c(F)c1 2336360901 CPYXWIUBSPCJKW-LDYMZIIASA-N 288.319 0.657 10 10 CCCE N[C@H]1CC[C@@H]1S(=O)(=O)Nc1ccc(O)cc1[N+](=O)[O-] 2338262464 OOJKHTWESAHKPV-XVKPBYJWSA-N 287.297 0.532 10 10 CCCE COc1ccc(N2CCNC[C@@H]2CC(N)=O)c(F)c1 2343318561 UKGSKSLXFVVYGW-VIFPVBQESA-N 267.304 0.488 10 10 CCCE CN(C)c1ccc(CN[C@@]2(C(=O)O)CC[C@@H]2N)cc1 2351382632 XXUHFLWBRWEXLU-JSGCOSHPSA-N 263.341 0.787 10 10 CCCE NC[C@H]1C[C@@H]2CC[C@H]1N2C(=O)Cc1ccc(O)c(O)c1 2355417263 FOPCYUCFAZRVCF-GRYCIOLGSA-N 276.336 0.979 10 10 CCCE NC(=O)c1cccc(N)c1N[C@@H]1CCCS(=O)(=O)C1 130385966 CRECQTSFIJVHRO-MRVPVSSYSA-N 283.353 0.357 10 10 CCCE COc1ccc(N2CCN(CC[C@@](C)(O)CN)CC2)cc1 70521690 PWLQIOGCCWLYSD-MRXNPFEDSA-N 293.411 0.917 10 10 CCCE COCCC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 53730950 XIESSEPLXJOTPR-VIFPVBQESA-N 283.280 0.246 10 10 CCCE C[C@@H](O)[C@@H](CO)NC(=O)/C=C\c1ccc(N(C)C)cc1 387453355 NVNKAMAYQRUKQT-QIVBXTSESA-N 278.352 0.624 10 10 CCCE CN(C)c1ccc([C@H](CCN2CCOCC2)NN)cc1 2163134307 XFCVSRIIWCMEFL-HNNXBMFYSA-N 278.400 0.979 10 10 CCCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)Cn2ccc(O)nc2=O)C1 701304153 UUKOHNIZRAXIDZ-MRVPVSSYSA-N 278.272 0.250 10 10 CCCE CC(=O)N[C@@](C)(C(=O)OCC(=O)C(C)=O)C(C)C 910223935 JWBBANGMRUKCJQ-GFCCVEGCSA-N 257.286 0.239 10 10 CCCE C[C@H](NC(=O)C[C@H]1COCCN1)c1ccccc1O 870988385 OCFSGVKGTLCZIM-QWRGUYRKSA-N 264.325 0.948 10 10 CCCE C[C@H](NCCN(C)S(C)(=O)=O)c1ccc(O)cc1O 692465570 KBLYRVKFZSZRIY-VIFPVBQESA-N 288.369 0.640 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CC=CC[C@@H]1CO 1875744274 PDMOSWUJKRAADQ-LLVKDONJSA-N 263.293 0.790 10 10 CCCE Oc1c(F)cc(F)cc1CN1CCN2C[C@H](O)C[C@H]2C1 895185564 ADWHOIJTBAXUNG-NWDGAFQWSA-N 284.306 0.921 10 10 CCCE Nc1cccc(C(=O)O)c1N[C@@H]1CCOC[C@@H]1CO 1878779982 YAZXFXHNHNIVKM-GZMMTYOYSA-N 266.297 0.776 10 10 CCCE N[C@H](C(=O)NC[C@@H]1CCCO1)c1cc(O)ccc1O 83483796 FCMMFMPDRWMKLQ-CABZTGNLSA-N 266.297 0.393 10 10 CCCE C[C@H](NCc1ccc(N2CCNCC2)cc1)C(=O)O 84846332 QFPLNEIAJINGFD-NSHDSACASA-N 263.341 0.659 10 10 CCCE CC[C@H]1C(=O)NCCN1c1ccc(CN)cc1F 110676299 PONJZSOODQWKML-NSHDSACASA-N 251.305 0.999 10 10 CCCE C[C@H](NCc1c(O)cccc1Br)[C@H](O)CO 706809928 RIAJOTRWTDCEER-WRWORJQWSA-N 290.157 0.986 10 10 CCCE Nc1ccc(CC(=O)NC[C@H]2C[C@H](C(=O)O)CO2)cc1 714100140 JMHQINOKXQVHSN-CMPLNLGQSA-N 278.308 0.417 10 10 CCCE C[C@H](O)[C@H](O)CNC(=O)CCc1ccc(N)cc1 717364323 GNAOMZANTGDHMK-JOYOIKCWSA-N 252.314 0.059 10 10 CCCE CN(C)c1ccc(/C=C/CN[C@H](CO)C(=O)O)cc1 1333185440 JKWZQZCYZQXYEG-ITDFMYJTSA-N 264.325 0.801 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CC2CC1(C(=O)O)C2 694754866 DFCGQPSKYIOECY-UHFFFAOYSA-N 263.249 0.787 10 10 CCCE COc1cc(N)c(N2C[C@@H](O)C[C@H]2CO)cc1OC 698114211 KCHGOSCMGCTKDH-IUCAKERBSA-N 268.313 0.218 10 10 CCCE CN(C)c1ccc(CNCCc2nnnn2C)cc1 771872756 JSLONVNOEDCXIP-UHFFFAOYSA-N 260.345 0.608 10 10 CCCE CNC(=O)[C@@H](C)N(C)c1ccc2c(c1)NC(=O)[C@@H]2O 1916781334 SCRBCNYTGLLZTL-RDDDGLTNSA-N 263.297 0.243 10 10 CCCE CCOC(=O)CN(CCOCCO)Cc1ccccc1O 1195358247 MQEKCRAEWCNTSJ-UHFFFAOYSA-N 297.351 0.766 10 10 CCCE C[C@H]1CNC[C@@H](O)CN1c1ccc2c(c1)OCO2 214572824 HWDOBBNTIXJJAN-GXSJLCMTSA-N 250.298 0.574 10 10 CCCE Nc1ccc(NC(=O)CN2C[C@H]3C[C@H]2C[C@@H]3O)cc1 2115452419 IWRGLMDTGLOUEI-ICCXJUOJSA-N 261.325 0.662 10 10 CCCE CO[C@H]1C[C@@](NCCCN=[N+]=[N-])(C(=O)O)C[C@H]1OC 2115898351 VSKXKUBSLLLNKQ-DOFRTFSJSA-N 272.305 0.924 10 10 CCCE Nc1ccc(CS(=O)(=O)NC[C@@H]2[C@@H]3COC[C@@H]32)cc1 2117985107 GGKUARTTZXBIEN-CLLJXQQHSA-N 282.365 0.581 10 10 CCCE CN1C(=O)O[C@H]2CN(Cc3cc(N)ccc3O)C[C@@H]21 2120396647 CAJGPTMTNPNSCG-JQWIXIFHSA-N 263.297 0.609 10 10 CCCE O=C1N[C@@H]2CN(Cc3ccc(F)c(F)c3O)C[C@H]2O1 2120407539 VJAYXLIACHKQDU-RKDXNWHRSA-N 270.235 0.963 10 10 CCCE O=C(NCc1cccc(O)c1O)[C@@H](O)c1cccnc1 1471642008 FRWAAYRJRFBEJO-ZDUSSCGKSA-N 274.276 0.843 10 10 CCCE CCn1nncc1S(=O)(=O)N(C)CCN=[N+]=[N-] 1912174849 FGRYWDYJEMRVNB-UHFFFAOYSA-N 259.295 0.229 10 10 CCCE O=C(NCc1ccc(O)cc1O)c1ccc(CO)nc1 1630307429 VWJZHGHUJRXQMW-UHFFFAOYSA-N 274.276 0.915 10 10 CCCE Cc1nc(CNC(=O)NCc2ccccc2O)n[nH]1 1638854323 UYNLVEKQAMQQIO-UHFFFAOYSA-N 261.285 0.818 10 10 CCCE Cn1cnc(Cc2noc(-c3cccc(O)c3O)n2)n1 1912486272 LXUDBIUYOPSEFX-UHFFFAOYSA-N 273.252 0.867 10 10 CCCE COCCOCCCNC(=O)Cc1ccc(O)c(O)c1 1587496461 KFERCQPJCUCIMP-UHFFFAOYSA-N 283.324 0.810 10 10 CCCE CCOC(=O)C[C@H](O)C(=O)NCc1c(O)cccc1O 1597574198 JZPAGAHINBNKHY-NSHDSACASA-N 283.280 0.028 10 10 CCCE COc1ccc(N2CC[C@@H](O)[C@H](O)C2)c([N+](=O)[O-])c1 2132165528 MBIXJARNKBHHEF-VXGBXAGGSA-N 268.269 0.535 10 10 CCCE CC(C)(C)[C@@H](O)CNC(=O)c1cc(O)c(O)c(O)c1 2132348613 OYQVBDDPGJIVNQ-JTQLQIEISA-N 269.297 0.940 10 10 CCCE O=C(NCc1cnccn1)c1cc(O)c(O)c(O)c1 2132350758 QIWIAVVPHFNJIJ-UHFFFAOYSA-N 261.237 0.523 10 10 CCCE O=[N+]([O-])c1ccc(N2CC[C@@](F)(CO)C2)cc1CO 1917137061 ZQUJZOXLLKQDID-LBPRGKRZSA-N 270.260 0.998 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@H](C(=O)O)O1 222590310 IVGLVNOAJLJSTN-NWDGAFQWSA-N 279.292 0.983 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)Nc1ncc[nH]1 110538240 GGOHCLLPOCBOSE-QMMMGPOBSA-N 262.269 0.329 10 10 CCCE O=C(N[C@H]1C[C@@H]([C@H](F)CO)C1)c1ccc(O)c(O)c1 1906452270 ATLYZJRZSLFIPW-KXUCPTDWSA-N 269.272 0.937 10 10 CCCE O=C(CN1CC[C@@](F)(CO)C1)c1ccc(O)c(O)c1 1917067912 PZPWZWVGOHIKFC-ZDUSSCGKSA-N 269.272 0.687 10 10 CCCE CO[C@@H]1C[C@@H](C(=O)O)N(Cc2ccc(O)c(O)c2)C1 2136358116 RLCOIEHLPOITII-ZJUUUORDSA-N 267.281 0.772 10 10 CCCE O=C1CN(c2ccc3c(c2)OC(F)(F)O3)CC(=O)N1 111466087 IXNOSCIGOZWSCF-UHFFFAOYSA-N 270.191 0.471 10 10 CCCE CC(=O)C(=O)[C@@](C)(O)CCNC(=O)OC(C)(C)C 1919253184 SFPZUEFDMJKCPY-LBPRGKRZSA-N 259.302 0.810 10 10 CCCE COC[C@@]1(O)CCN(c2ccc(CO)c(OC)c2)C1 2139710436 ILARXASNDOMFKX-CQSZACIVSA-N 267.325 0.775 10 10 CCCE COCCS(=O)(=O)CCNCc1cccc(C)c1O 2139801307 NQBLWICIGMUJCX-UHFFFAOYSA-N 287.381 0.851 10 10 CCCE C[C@](N)(C(=O)NCCc1ccc(O)c(O)c1)C1CC1 1968738856 GNOAXCFAAQCZDO-CQSZACIVSA-N 264.325 0.884 10 10 CCCE COc1ccc(N2CC[C@H]([C@](C)(O)CO)C2)c(N)c1 2138104880 TYXIXKOHSPODAH-IINYFYTJSA-N 266.341 0.847 10 10 CCCE COCCNCc1ccc(N2C[C@@H](O)[C@H](O)C2)c(C)c1 234697040 HTWWGRWEEVDLEV-HUUCEWRRSA-N 280.368 0.273 10 10 CCCE COc1cc(N)c(N2C[C@@H]3OCCO[C@@H]3C2)cc1OC 2149772216 UKIJHIDSQNDDHG-OKILXGFUSA-N 280.324 0.890 10 10 CCCE NC(=O)CN(Cc1ccc(N)cc1)C[C@@H]1CCCO1 35366619 CZSWPPBIIAIOFR-ZDUSSCGKSA-N 263.341 0.735 10 10 CCCE O=C1COc2cc([N+](=O)[O-])c(N3CCNCC3)cc2N1 35452585 XSCPWQUDBWECDL-UHFFFAOYSA-N 278.268 0.335 10 10 CCCE O=C(O)CN1CCN(Cc2ccc(Cl)cc2O)CC1=O 2146321975 VKODFKFHLFHSHV-UHFFFAOYSA-N 298.726 0.774 10 10 CCCE CNCc1ccc(N2CCOC[C@@H]2[C@@H](O)CO)c(F)c1 2146334421 NCAPAIHHMSDNAK-KGLIPLIRSA-N 284.331 0.104 10 10 CCCE COC(=O)[C@@H]1COCCN1C(=O)Nc1ccc(N)cc1 163459756 ACOVVTITBQNARY-NSHDSACASA-N 279.296 0.675 10 10 CCCE COCc1cc(=NN)nc(C2=S=Nc3ccccc32)[nH]1 2159943306 JFBPNZKIPHXOJG-UHFFFAOYSA-N 287.348 0.811 10 10 CCCE CNCCN(C)S(=O)(=O)Cc1ccc(N)cc1 2016888862 IZDQJXWAJGWHMY-UHFFFAOYSA-N 257.359 0.250 10 10 CCCE C[C@H](NS(=O)(=O)Cc1ccc(N)cc1)[C@@H](C)N 2016969185 HZHWQISUDVXYRD-BDAKNGLRSA-N 257.359 0.424 10 10 CCCE COC[C@H]1CNCCN1Cc1cc(F)ccc1O 2028147387 KCKBESJFKGAOAD-GFCCVEGCSA-N 254.305 0.952 10 10 CCCE O=C1Nc2cc(N3CCC[C@@](F)(CO)C3)ccc2[C@H]1O 2157519871 IBNJOGYCJHYZQC-OCCSQVGLSA-N 280.299 0.973 10 10 CCCE CN1CCOC[C@@H]1C(=O)N1CCC(N=[N+]=[N-])CC1 2038243359 RIVNVXCRJIGDDS-SNVBAGLBSA-N 253.306 0.618 10 10 CCCE Cn1nccc1S(=O)(=O)N1CCC[C@H](N=[N+]=[N-])C1 403673414 QMCCEQRILXVMNW-QMMMGPOBSA-N 270.318 0.884 10 10 CCCE CC[C@@H]1N[C@H](c2ccc(O)c(O)c2)C(=O)NC1=O 310985119 KIBZPYGEKCQBAG-OIBJUYFYSA-N 250.254 0.164 10 10 CCCE CN1CCc2cc([C@@H](NN)[C@H]3CCCS3(=O)=O)ccc21 2163158648 RCDNWJBPGOVBRH-ZIAGYGMSSA-N 295.408 0.761 10 10 CCCE C[C@@H]1[C@@H](CO)CCN1C[C@@H](O)COc1ccc(N)cc1 385931975 UXJGNLAQZTXEDL-YRGRVCCFSA-N 280.368 0.711 10 10 CCCE CC(C)C1(O)CN(c2ccc3c(c2)NC(=O)[C@@H]3N)C1 395005294 HMTGPQKUVNCDBD-GFCCVEGCSA-N 261.325 0.846 10 10 CCCE CON(C)C(=O)CNC(=O)CCc1ccc(N)cc1 397543889 QZTAYHVLDPQZLM-UHFFFAOYSA-N 265.313 0.337 10 10 CCCE CN1CCC(O)(CNCc2ccc(O)c(O)c2)CC1 397559614 UDMSESJEFHDQTB-UHFFFAOYSA-N 266.341 0.644 10 10 CCCE N[C@@H]1C[C@H]2CN(Cc3ccc(Cl)cc3O)CCN2C1=O 2173418273 LOYKKBNMZKVNOW-NWDGAFQWSA-N 295.770 0.789 10 10 CCCE COc1ccc(O)c([C@H](C)N[C@H]2CCO[C@@H]2C(N)=O)c1 2174104451 TXWKKYHWDSFFSL-QWRKXWFKSA-N 280.324 0.694 10 10 CCCE C[C@H]1CN(C(=O)c2ccc(O)c(O)c2)C[C@H](CCN)O1 2179375157 OIZPAABTMKJWBL-ONGXEEELSA-N 280.324 0.676 10 10 CCCE CCn1ncnc1CN(C)C(=O)c1cccc(O)c1O 2168061251 WOXGLENSEJZZDN-UHFFFAOYSA-N 276.296 0.981 10 10 CCCE CN1CCN(C(=O)COc2ccc(N)cc2)[C@H]2CC[C@@H]21 2168386588 RHHORTNJCWMXDE-KBPBESRZSA-N 275.352 0.953 10 10 CCCE COc1cccc(Cn2ncc(CO)c2O)c1O 2070520887 ZKQWKASHUGFUKY-UHFFFAOYSA-N 250.254 0.844 10 10 CCCE NC[C@@H]1C[C@H](NC(=O)c2cc(O)nc(O)c2)C12CCC2 2175049496 VTQVVCCRDNGYKR-UWVGGRQHSA-N 277.324 0.740 10 10 CCCE O=C1NC(=O)[C@H]2CN(c3ccc4c(c3)CC[C@H]4O)C[C@@H]12 2184733377 HBZFPOMHBRRNKM-FRRDWIJNSA-N 272.304 0.375 10 10 CCCE CCS(=O)(=O)C[C@@](C)(NCCN=[N+]=[N-])C(=O)OC 2051023351 TXPUIIVHDSPBLM-SECBINFHSA-N 278.334 0.253 10 10 CCCE C[C@@]1(CNC(=O)COc2ccc(N)cc2)CNCCO1 2191749704 MTPKHOXTVIGRBQ-AWEZNQCLSA-N 279.340 0.142 10 10 CCCE COCCOCCOCCNCc1cccc(O)c1O 2187125594 GLIWARIRBAGHCJ-UHFFFAOYSA-N 285.340 0.867 10 10 CCCE COc1ccc(O)c(CN2C[C@@H](O)C[C@H]2CN)c1 2067388448 FSUFDHPUTYCVHA-QWRGUYRKSA-N 252.314 0.295 10 10 CCCE O=C(N[C@H]1C[C@H](CO)C1)c1cc(O)c(O)c(O)c1 2068566439 JUOAPLPUVQVALO-FKQCQYRASA-N 253.254 0.304 10 10 CCCE CCC[C@H](CN)NC(=O)c1cc(O)c(O)c(O)c1 2068617681 KRVHOCVPZPFOFH-MRVPVSSYSA-N 254.286 0.661 10 10 CCCE COC(=O)[C@H](N)CCN(C)Cc1ccccc1O 2072462552 SIFBHCHXILGLLB-LLVKDONJSA-N 252.314 0.714 10 10 CCCE CC[C@@H](NCc1ccc(O)c(O)c1O)C(=O)N(C)C 2100227202 ARRYYLXLVQWIAT-SECBINFHSA-N 268.313 0.760 10 10 CCCE CCOC(=O)CNC(=O)NCc1cc(N)ccc1O 2100785109 WCWUOEUVAHOYRB-UHFFFAOYSA-N 267.285 0.337 10 10 CCCE NCc1ccc(N2CC[C@H]3C(=O)NC[C@@H]3C2)cc1F 2100950558 UMHQRECCSKYHFI-ZYHUDNBSSA-N 263.316 0.857 10 10 CCCE O=C(N[C@H]1C[C@H]2C[C@H]1C[C@@H]2O)c1cc(O)nc(O)c1 2104409556 YQBAXHHTIFISQC-MBLNEYKQSA-N 264.281 0.382 10 10 CCCE C[C@H](CNC(=O)c1cc(O)nc(O)c1)[C@@H](F)C(=O)O 2105542268 SEUGDFFRMOTWLO-MLUIRONXSA-N 272.232 0.281 10 10 CCCE CN(C(=O)Cc1ccc(O)c(O)c1)C(C)(C)C(=O)O 2087724925 NJLIJPGYXPPGHZ-UHFFFAOYSA-N 267.281 0.962 10 10 CCCE CNCc1ccc(N2C[C@@H]3CS(=O)(=O)C[C@H]3C2)cc1 2087860005 JBZSEKWEABCLJI-CHWSQXEVSA-N 280.393 0.887 10 10 CCCE Nc1ccc(OCCN2C[C@@H]3OCCO[C@@H]3C2)cc1 2093351053 JOBHMGABMQBEHF-OKILXGFUSA-N 264.325 0.747 10 10 CCCE CCS(=O)(=O)CC(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-] 2213583786 WNRLHVVPRGWLFJ-YUMQZZPRSA-N 260.319 0.769 10 10 CCCE COc1ccc(N(C)[C@H]2COC[C@@H]2O)c(C=O)c1 2220430532 URWVDZFFUYSHCN-STQMWFEESA-N 251.282 0.704 10 10 CCCE COCC[C@@H](N)CNC(=O)CCOc1ccc(N)cc1 2233918579 LRVXECULCYNMPP-GFCCVEGCSA-N 281.356 0.518 10 10 CCCE N[C@@H]1C[C@@H]2CN(C(=O)c3cccc(O)c3O)CC[C@@H]21 2224662621 ZNNHXUDLOLQVPI-WCABBAIRSA-N 262.309 0.907 10 10 CCCE NC(=O)c1csc(=NCCOc2ccc(N)cc2)[nH]1 2225540991 UXZIMYQZZPVYSL-UHFFFAOYSA-N 278.337 0.737 10 10 CCCE COc1ccc(N2C[C@H](CO)[C@@H](CCO)C2)c(C=O)c1 2235988582 QMXLLOROJCZAAN-WCQYABFASA-N 279.336 0.935 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3CC=C[C@@]3(C)CO)cc21 2237172522 SRLXCCYMYXRBKE-HIFRSBDPSA-N 273.336 0.790 10 10 CCCE Cn1nccc(NC(=O)Cc2ccc(N)cc2)c1=O 2227228774 VFSHUQPNPGQFBF-UHFFFAOYSA-N 258.281 0.544 10 10 CCCE COc1cccc(CN[C@@H]2C[C@@H](O)[C@H]2OC)c1O 2258675093 SVJAZHGDYXOANW-BREBYQMCSA-N 253.298 0.639 10 10 CCCE Nc1ccc(CCN=c2cc(C(=O)O)cn[nH]2)cc1 2274015612 GXTRZPHRAVGEFS-UHFFFAOYSA-N 258.281 0.834 10 10 CCCE Nc1ccc(OCCN2CC[C@H](O)[C@H](O)CC2)cc1 2269141002 AHULONGFHVCVGC-OKILXGFUSA-N 266.341 0.465 10 10 CCCE CN[C@H](C)c1ccc(N2C[C@H](O)[C@H](O)[C@H]2CO)cc1C 2285122678 WCVPCPNBFKIIBA-QPKOPYBWSA-N 280.368 0.178 10 10 CCCE Cc1cccc(CNC(=O)[C@@]23CCO[C@@H]2CNC3)c1O 2296489441 KITRBJLBVACFDW-IUODEOHRSA-N 276.336 0.695 10 10 CCCE COc1ccc(N2CC3(CN(C)C(=O)CO3)C2)c(N)c1 2289657725 SUDTUPNGPXUCQS-UHFFFAOYSA-N 277.324 0.325 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC[C@@H](F)C2=O)cc1 2317872837 VLTHUAFXZQJEKW-SNVBAGLBSA-N 272.301 0.669 10 10 CCCE O=C(O)C[C@H]1C[C@H]1CNC(=O)c1ccc(O)c(O)c1 2335893207 YIEXCMYWLDQANC-BDAKNGLRSA-N 265.265 0.938 10 10 CCCE CS(=O)(=O)CCCN1CCc2cc(O)c(O)cc2C1 2341216836 QIUJSQJXSQUYOQ-UHFFFAOYSA-N 285.365 0.891 10 10 CCCE CC(C)n1cc([C@H](NCCCN=[N+]=[N-])C(N)=O)nn1 312124554 YIJXBVVHHCUGCO-VIFPVBQESA-N 266.309 0.675 10 10 CCCE O=C(NC[C@H]1CN(C2CC2)CCO1)c1cccc(O)c1O 185661599 WXWJMEMDCUUIGQ-NSHDSACASA-N 292.335 0.691 10 10 CCCE CC1(C)CN(C(=O)[C@@H](N)Cc2ccc(O)c(O)c2)CCO1 40461815 LDUZGZOENKKJKH-NSHDSACASA-N 294.351 0.605 10 10 CCCE Nc1ccc(CS(=O)(=O)NCCCC2(O)CC2)cc1 2270203271 QEARLHFAULAXSO-UHFFFAOYSA-N 284.381 0.993 10 10 CCCE CC(C)N(CC(N)=O)C(=O)c1ccc(O)c(O)c1 227012830 JKXOQQWTKKYMAL-UHFFFAOYSA-N 252.270 0.434 10 10 CCCE COC(=O)[C@H](NCCCN=[N+]=[N-])c1cn(C)nn1 380991377 FGTQXHXPFAPMEM-MRVPVSSYSA-N 253.266 0.319 10 10 CCCE COC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1)C(C)C 86698676 AKHRBZZOTXUOCQ-RYUDHWBXSA-N 296.367 0.755 10 10 CCCE CCn1cncc1[C@H](NCCCN=[N+]=[N-])C(N)=O 90260662 WJIKKNOTKNXETK-VIFPVBQESA-N 251.294 0.719 10 10 CCCE O[C@H]1CN(c2ccc(OCC(F)F)cc2)C[C@H]1O 2219559761 CITFFULUSNZIEX-PHIMTYICSA-N 259.252 0.872 10 10 CCCE CN(C)C(=O)CCN1CCN(Cc2ccccc2O)CC1 271348946 KWGUFOMJTHWSNB-UHFFFAOYSA-N 291.395 0.988 10 10 CCCE O=[N+]([O-])c1cc2c(cc1N1CCC13CNC3)OCCO2 2152154012 WEZRRBMMVRXXDK-UHFFFAOYSA-N 277.280 0.918 10 10 CCCE O=S1(=O)C[C@@H]2[C@H](C1)NCCN2c1ccc2c(c1)CCO2 2162668962 UBXIIFGOEFTHDX-QWHCGFSZSA-N 294.376 0.197 10 10 CCCE CCCC(=O)N1CCC[C@H](C(=O)OCC(=O)C(C)=O)C1 808507657 RVIYSZYKCCJECO-NSHDSACASA-N 283.324 0.726 10 10 CCCE Nc1ccc(OCCS(=O)(=O)N2CC=C[C@@H](O)C2)cc1 2165063687 GVYVVWMYWNLDPB-GFCCVEGCSA-N 298.364 0.210 10 10 CCCE Cc1ccc(O)c2c1[C@@H](C)C[C@H]2N1CC(N)(C(N)=O)C1 2165765734 PLORDEAMCLXXGB-VHSXEESVSA-N 275.352 0.747 10 10 CCCE CC(=O)C(=O)COC(=O)C1=C(C)N(C)c2ncnn2[C@@H]1C 808540623 YXNDHULIOXUOQS-MRVPVSSYSA-N 292.295 0.264 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3C[C@@H]4C[C@H]3CO4)ccc21 718361820 CULSXVWYECNDAY-KWBADKCTSA-N 259.309 0.877 10 10 CCCE CN1CCC[C@](O)(CC(=O)NCc2ccc(O)cc2O)C1 910955825 GOMGDBYCOXWQLA-HNNXBMFYSA-N 294.351 0.561 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)N[C@H]1CCS(=O)(=O)C1 1893244143 UIOQKTBNVJPYKD-IUCAKERBSA-N 287.345 0.658 10 10 CCCE CCN1CCc2cc([C@H](O)[C@H](N)C(=O)O)ccc21 1952264228 OENPIGYAHDTVHR-RYUDHWBXSA-N 250.298 0.514 10 10 CCCE NC(=O)[C@@H]1CN(Cc2c(O)cccc2Cl)C[C@@H]1C(N)=O 693454764 PVRZECIIHSBQLH-OCAPTIKFSA-N 297.742 0.064 10 10 CCCE CN1C(=O)N(c2ccc(N)cc2)C(=O)[C@H]2COC[C@@H]21 90431282 RSFCLQCLTGGBGV-QWRGUYRKSA-N 261.281 0.682 10 10 CCCE CN(C)c1ccc(CNC(=O)[C@]2(C)COC[C@H]2N)cc1 90598344 YNPNJRUODHZLHE-UKRRQHHQSA-N 277.368 0.733 10 10 CCCE CN(C)C[C@H]1C[C@@H](O)CN1CCc1ccc(N)cc1 97245141 DRZDSURDQDKUKS-HUUCEWRRSA-N 263.385 0.808 10 10 CCCE C[P@]1(=O)C[C@H](N)[C@@H](NC(=O)c2cccc(O)c2O)C1 2121480129 XQRJCGGZQMBWTL-OWXODZSWSA-N 284.252 0.530 10 10 CCCE COc1cccc(CN2CC[C@H](CO)[C@@H](N)C2)c1O 2122337508 YJLAJKJJPGERIZ-NEPJUHHUSA-N 266.341 0.542 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)c1cc(O)ncn1 1622753464 XKYDDIRLLHPTKS-UHFFFAOYSA-N 275.264 0.566 10 10 CCCE Cc1c(NC(=O)c2cc(O)c(O)c(O)c2)nnn1C 2132349962 IXDYXMQRMSNREN-UHFFFAOYSA-N 264.241 0.493 10 10 CCCE CC1(C)C[C@@H](CN)CN1C(=O)c1cc(O)nc(O)c1 2132456260 KAJAIZFZJYLEHN-QMMMGPOBSA-N 265.313 0.692 10 10 CCCE Cc1cc(=NC(=O)CN2CC[C@@H](CN=[N+]=[N-])C2)[nH]o1 1912185063 LMHVKSYIZVMYFK-VIFPVBQESA-N 264.289 0.976 10 10 CCCE CO[C@@]1(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)CCOC1 1912168523 VBPATPDABQJNHC-KOLCDFICSA-N 254.290 0.951 10 10 CCCE COc1cccc(CNC(=O)Cc2ncc[nH]2)c1O 1445968402 MEIBTVUNJIUEIJ-UHFFFAOYSA-N 261.281 0.983 10 10 CCCE OC[C@@H]1CN(c2ccc3c(c2)OCO3)CCCN1 214569537 BEYWLROTSYEZCL-JTQLQIEISA-N 250.298 0.576 10 10 CCCE COc1cc(C(=O)NCc2c(O)cccc2O)ncn1 1456313519 DPVKMRRQXPBJLI-UHFFFAOYSA-N 275.264 0.826 10 10 CCCE CC(=O)C(=O)[C@](C)(O)[C@H](C)NC(=O)OC(C)(C)C 1919145567 YOUAMHQAPZWFDD-QPUJVOFHSA-N 259.302 0.809 10 10 CCCE CC1(C)OC[C@@H](N)[C@@H]1NCCc1ccc(O)c(O)c1 2137014607 ZBPGVSCRBQFBAA-MFKMUULPSA-N 266.341 0.735 10 10 CCCE CC(C)[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C(N)=O 1556856830 ZFNNHQKZKPFAIZ-GFCCVEGCSA-N 266.297 0.266 10 10 CCCE COc1ccc(N2CCNC[C@@H]2C(=O)O)c(F)c1F 2136983603 FGGWFFXQVRQRHG-MRVPVSSYSA-N 272.251 0.836 10 10 CCCE COCCNC(=O)[C@@H](C)NCc1cccc(O)c1O 228990917 HTMOLMDKYOMCBR-SECBINFHSA-N 268.313 0.339 10 10 CCCE CCNC(=O)[C@H](C)NC(=O)[C@H]1CNc2ccccc2N1 229879014 WOAVDBOEGYPNKM-JOYOIKCWSA-N 276.340 0.533 10 10 CCCE CNC(=O)[C@H]1CNCCN1Cc1cc(F)ccc1O 234370348 QEFXKFUZKXBPFI-LLVKDONJSA-N 267.304 0.051 10 10 CCCE C[C@H]1CO[C@H](CN)CN1C(=O)c1cccc(O)c1O 126838088 SYTBDCPYJGXFMH-DTWKUNHWSA-N 266.297 0.286 10 10 CCCE CSC1(CNC(=O)[C@@H](N)Cc2ccc(O)c(O)c2)CC1 235136694 DRPFPIBHBLZWPK-JTQLQIEISA-N 296.392 0.979 10 10 CCCE CN(c1cc2c(cc1N)OCC(=O)N2)C(C)(C)CN 1876364015 HEILTQLLJRRDPB-UHFFFAOYSA-N 264.329 0.773 10 10 CCCE NCCN(CC1CC1)C(=O)COc1ccc(N)cc1 1876477939 PRWHZFORFXCNFW-UHFFFAOYSA-N 263.341 0.845 10 10 CCCE CN(c1cc2c(cc1N)OCC(=O)N2)C1(C)COC1 2143183521 PCGNNOAYDIBMOJ-UHFFFAOYSA-N 263.297 0.825 10 10 CCCE Nc1ccc(OCC(=O)N[C@]23CCOC[C@@H]2C3)cc1 1880136503 DTFWFRMGSMQBRF-HZMBPMFUSA-N 262.309 0.943 10 10 CCCE COC1CN(S(=O)(=O)NCc2ccccc2O)C1 1963455280 IQLBIOOWELXUFC-UHFFFAOYSA-N 272.326 0.057 10 10 CCCE O=C(NC[C@H]1CC[C@H](C(=O)O)O1)c1ccc(O)c(O)c1 236438535 JIFVDCSOGNHWGT-LDYMZIIASA-N 281.264 0.460 10 10 CCCE NC(=S)c1cc[nH]c(=NCCc2ccc(O)c(O)c2)n1 2148010405 HIDPOKLVWGFVCX-UHFFFAOYSA-N 290.348 0.599 10 10 CCCE NCC1(F)CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1971140522 NOFKDEOXCJQNIK-UHFFFAOYSA-N 282.315 0.930 10 10 CCCE C[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@@H]1N 1971288624 MJEWRZFYSNYFIV-WPRPVWTQSA-N 250.298 0.446 10 10 CCCE COC(=O)c1cc([C@H](N)CC(=O)O)c(O)cc1OC 258606096 PNEZRFKAZQVOHK-MRVPVSSYSA-N 269.253 0.662 10 10 CCCE Nc1ccc(OCCC(=O)N2CCO[C@H](CO)C2)cc1 166928305 KJGPUMUADSFKBD-ZDUSSCGKSA-N 280.324 0.257 10 10 CCCE C[C@H](NC(=O)Cc1ccc(N)cc1)[C@@H]1CCS(=O)(=O)C1 2146107775 ISCLPZNTLDPXRI-CMPLNLGQSA-N 296.392 0.751 10 10 CCCE [N-]=[N+]=N[C@H]1CCCN(S(=O)(=O)C2CC(=O)C2)C1 2005392476 GIYBXEYOTVTYGD-ZETCQYMHSA-N 258.303 0.822 10 10 CCCE CC1(OCC(=O)O)CN(C(=O)c2cccc(O)c2O)C1 161393653 UGWHQDKYZQUAOL-UHFFFAOYSA-N 281.264 0.414 10 10 CCCE C[C@H]1CO[C@@H](CO)CN1C(=O)Cc1ccc(N)cc1 167721829 VIRMZZVVEKIAQY-GXFFZTMASA-N 264.325 0.420 10 10 CCCE Cc1c(CN[C@H]2CC(=O)NC2=O)n(C)c2ccccc12 2152396410 OBSWXJXACSKAMA-NSHDSACASA-N 271.320 0.991 10 10 CCCE C[C@@H](NCc1ccc(O)cc1O)C1CS(=O)(=O)C1 2029388021 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Nc1ccc(OCCC(=O)NC[C@H]2CNC(=O)C2)cc1 398275404 CMGYFZOGOVNHDC-JTQLQIEISA-N 277.324 0.290 10 10 CCCE CN[C@H](C)c1ccc(N2C[C@H](O)[C@@H](O)C2(C)C)cc1O 2181217239 UHBCDEPUJOGPPA-BIGNPOOSSA-N 280.368 0.993 10 10 CCCE O=C(O)CC1=CCN(C(=O)c2cc(O)nc(O)c2)CC1 2181665370 ZXKZYZQSWQKPEO-UHFFFAOYSA-N 278.264 0.740 10 10 CCCE NC(=O)CO[C@@H]1CCN(c2ccc3c(c2)CC[C@H]3N)C1 2184723898 SLVUXQHELHARME-TZMCWYRMSA-N 275.352 0.713 10 10 CCCE O[C@@H]1CCc2cc(N3C[C@@H]4C[C@@H](C3)[C@@H](O)[C@@H]4O)ccc21 2184732274 SBEOQEJPSASHRV-QSDOXLQRSA-N 275.348 0.844 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)[C@@]23CCC[C@@H](CC2)N3)C1 2049781152 RATASXHFZMIFHZ-AYGWYOGXSA-N 250.342 0.927 10 10 CCCE CN[C@H](c1ccccc1O)[C@@](C)(O)CS(C)(=O)=O 2050965868 TYUMTDKZYNPPHX-NEPJUHHUSA-N 273.354 0.448 10 10 CCCE COc1ccc(N2CC(CNC(N)=O)C2)c(N)c1 2067118248 AJFFUUFGDUTOAQ-UHFFFAOYSA-N 250.302 0.382 10 10 CCCE COC(=O)[C@@H](NCCN=[N+]=[N-])c1c(C)ncn1C 2068655227 ISHYAXXKICTMMZ-QMMMGPOBSA-N 252.278 0.843 10 10 CCCE O=C(NOC1CCOCC1)c1ccc(O)c(O)c1 2072975383 LHZXGIWTZXQSLC-UHFFFAOYSA-N 253.254 0.938 10 10 CCCE [N-]=[N+]=NCCN[C@]1(C(N)=O)CCOC2(CCC2)C1 2076719409 UWRHOQVLWDHQKU-LLVKDONJSA-N 253.306 0.844 10 10 CCCE O=C(NC1C[C@@H]2CNC[C@H]2C1)c1cccc(O)c1O 2102636748 BSTQNQQWHOOKBI-RKDXNWHRSA-N 262.309 0.826 10 10 CCCE C[C@@H](O)CN(C[C@@H](C)O)C(=O)Cc1ccc(N)cc1 2103474823 OMSSBDCMSDBYHB-GHMZBOCLSA-N 266.341 0.402 10 10 CCCE Cc1cc(CO)ccc1N1C[C@H](O)[C@H](O)[C@@H]1CF 2084797056 GLPWKJWUXITJQV-RWMBFGLXSA-N 255.289 0.367 10 10 CCCE C[C@]12CN(C(=O)c3cccc(O)c3O)C[C@@]1(CO)C2 2109181170 FAQFCSMHDZUVHU-UONOGXRCSA-N 263.293 0.942 10 10 CCCE OCc1cc(F)c(N2CCCC2(CO)CO)c(F)c1 2089868077 MIQASQLZVBQTHS-UHFFFAOYSA-N 273.279 0.781 10 10 CCCE C[C@@H](c1c(O)cccc1O)N(C)[C@@H]1CC(=O)NC1=O 2114733474 WWQLNOUEMIPWCA-JGVFFNPUSA-N 264.281 0.506 10 10 CCCE Nc1ccc(OCCC(=O)NC[C@@H]2[C@H]3CN[C@H]2C3)cc1 2203038712 ZWJFXWJZKWRJJI-HONMWMINSA-N 275.352 0.762 10 10 CCCE CN[C@H](C)c1ccc(N2CC(O)(C(N)=O)C2)c(C)c1 2232091312 FJOOYHUYEQUEIY-SNVBAGLBSA-N 263.341 0.312 10 10 CCCE COc1ccc(N2CCOC[C@@H]2[C@@H](O)CO)cc1OC 2235124420 LQISMRJKSADODP-NEPJUHHUSA-N 283.324 0.262 10 10 CCCE O=C(O)c1c[nH]nc1CNC(=O)c1cccc(O)c1O 2235330139 HXBVTKCEFAYRPP-UHFFFAOYSA-N 277.236 0.449 10 10 CCCE CO[C@@H]1CC[C@H]1CN(CC(N)=O)Cc1ccc(N)cc1 2236163773 XBWIFUKAKIADNP-GXTWGEPZSA-N 277.368 0.981 10 10 CCCE COc1ccc(N(C)CC(=O)NC2CC2)c(CN)c1 2227679940 PRIHYVVCCADXOQ-UHFFFAOYSA-N 263.341 0.869 10 10 CCCE COc1ccc(N2CC[C@H](NC(N)=O)C2)c(C=O)c1 2227689641 GNPDKJOVTDSSBZ-JTQLQIEISA-N 263.297 0.755 10 10 CCCE COc1ccc(N2CC(=O)N[C@@H]3CC[C@@H]32)c(C=O)c1 2227696162 MDVGXRYSKOHYLC-YPMHNXCESA-N 260.293 0.975 10 10 CCCE COc1cc(N2CCC[C@H]2CC(N)=O)ccc1CN 2270235074 ZQTMCWFGVLONRU-NSHDSACASA-N 263.341 0.998 10 10 CCCE CC[C@@H]1[C@H](O)CCN1C(=O)c1cc(O)c(O)c(O)c1 2273223451 ZNTSHFOXKJYRJZ-RKDXNWHRSA-N 267.281 0.789 10 10 CCCE O=C1N=C(N(CCO)CCO)SC1=Cc1ccccc1 2294850853 GLAVYPXJZFFNSP-UHFFFAOYSA-N 292.360 0.944 10 10 CCCE O[C@H](c1ccc(N2CCNCC2)cc1)c1cncnc1 2286069268 YVTYTFMBGKTAJY-OAHLLOKOSA-N 270.336 0.968 10 10 CCCE CC[C@H](O)c1ccc(N2C[C@H](O)[C@H](O)[C@@H](CO)C2)cc1 2289357544 IHXJVSXJQLPCHY-UQOMUDLDSA-N 281.352 0.280 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3C[C@@H]4C[C@@H]4[C@@H]3CO)ccc21 2332561563 BQOCDGXBYOSXOK-CETXONJKSA-N 259.309 0.456 10 10 CCCE CO[C@@H]1COC[C@H]1N1CCc2cc(O)c(O)cc2C1 2341215215 VMXOSJZTPPTUIC-BXUZGUMPSA-N 265.309 0.870 10 10 CCCE COc1ccc(N2CCN(C[C@@](C)(N)C(N)=O)CC2)cc1 59512254 AZTZDUYVYHAPAH-OAHLLOKOSA-N 292.383 0.020 10 10 CCCE O=CN[C@@H](CCC(=O)O)Cc1ccc(O)c(O)c1 69604958 QVMFSBBVMKJFEZ-VIFPVBQESA-N 253.254 0.620 10 10 CCCE CN(CCOCCO)C(=O)Nc1ccc(N)cc1 302379334 MPFXQGGGYVNSGQ-UHFFFAOYSA-N 253.302 0.741 10 10 CCCE O=C(N[C@@H]1CCc2cn[nH]c2C1)c1cc(O)c(O)c(O)c1 170190671 WHHBEVUNGVEDAY-SECBINFHSA-N 289.291 0.814 10 10 CCCE C[C@@H](NCCC(=O)N1CCOCC1)c1ccc(O)cc1O 123808514 FRLGYLOSFMQJIO-LLVKDONJSA-N 294.351 0.997 10 10 CCCE C[C@@H]1CC[C@H](NC(=O)c2cccc(O)c2O)CN1 126116387 JLQVVYPDYHJLIQ-BDAKNGLRSA-N 250.298 0.968 10 10 CCCE CC(=O)N1CCN(CC(=O)N(C)c2ccc(N)cc2)CC1 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Nc1ccc(OC[C@@H](O)CN2CC3CC2(CO)C3)cc1 822172614 RSRNOCDRCGVHPP-QRJNDHJOSA-N 278.352 0.465 10 10 CCCE [N-]=[N+]=NCCN[C@@]1(C(N)=O)CCCc2cccnc21 716181681 XSPDZOWFRXZOKE-LBPRGKRZSA-N 260.301 0.998 10 10 CCCE NCc1ccc(N2CCC(CO)(CO)C2)cc1Cl 694680865 JIUOEBJNGBWFHI-UHFFFAOYSA-N 270.760 0.980 10 10 CCCE CNCc1ccc(N(C)[C@@H]2CS(=O)(=O)C[C@@H]2OC)cc1 696866762 OYLZDXOJPUJXSH-KGLIPLIRSA-N 298.408 0.654 10 10 CCCE Cn1nnnc1CN1CCN(c2ccc(N)cc2)C1=O 698178935 LOOIFQWQZYPODT-UHFFFAOYSA-N 273.300 0.235 10 10 CCCE CN1CCN(c2ccc(CN)cc2Cl)[C@@H](CO)C1 699476852 GCXFPTCJMJLASZ-LLVKDONJSA-N 269.776 0.911 10 10 CCCE Nc1ccc(NC(=O)CN2CCC=C[C@H]2CO)cc1 2125951068 YFFQTICMCQPKGH-ZDUSSCGKSA-N 261.325 0.830 10 10 CCCE COc1cccc(O)c1CNC1[C@H]2CS(=O)(=O)C[C@H]12 2118019407 SVZMCQOWHPJIBE-UWVGGRQHSA-N 283.349 0.533 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1C[C@H]2CC[C@@]2(CO)C1 1901745083 BFFHWUZFSZLWOG-YGRLFVJLSA-N 263.293 0.942 10 10 CCCE Cc1c[nH]nc1CNC(=O)c1cc(O)c(O)c(O)c1 2132348051 COKCMKZLZVGBOS-UHFFFAOYSA-N 263.253 0.765 10 10 CCCE C[C@@H]1NCCN(C(=O)c2cc(O)c(O)c(O)c2)[C@H]1C 2132413379 MQFGYQBDNJJJNY-YUMQZZPRSA-N 266.297 0.626 10 10 CCCE Cn1ncc(S(=O)(=O)N2CCCC[C@H](CN=[N+]=[N-])C2)n1 1912187463 HKUOZSKLWREDSH-SECBINFHSA-N 299.360 0.916 10 10 CCCE CO[C@@H]1CS(=O)(=O)C[C@H]1N1CC[C@H](N=[N+]=[N-])C1 1912168773 GDLAJCMDOVURNE-DJLDLDEBSA-N 260.319 0.183 10 10 CCCE C[C@@]1(NC(=O)Cc2ccc(O)c(O)c2)CCOC1 1295073923 ZYELUTHGBUCYLC-CYBMUJFWSA-N 251.282 0.936 10 10 CCCE CC[C@H](O)c1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CO)cc1 2136282280 AAAJWXPJCBSTJJ-XDQVBPFNSA-N 267.325 0.033 10 10 CCCE CNCc1cnc(SCCS(C)(=O)=O)s1 1934273004 ANJQGFMWNUMFNX-UHFFFAOYSA-N 266.413 0.999 10 10 CCCE COc1ccc(N2CCN[C@H](CN)C2)cc1OC 259407443 YHPAQUIIJZXTOJ-SNVBAGLBSA-N 251.330 0.441 10 10 CCCE Cc1cccc(CNC(=O)c2cc(CN)[nH]n2)c1O 2139763012 WIBSGFSGHLRKBZ-UHFFFAOYSA-N 260.297 0.812 10 10 CCCE O=C(O)[C@]1(CO)CCN(Cc2ccc(F)cc2O)C1 2139766265 SSAAMULWCKUCEW-CYBMUJFWSA-N 269.272 0.800 10 10 CCCE COc1cc(N2C[C@H](O)[C@H]3COC[C@H]32)ccc1CN 2139703966 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COc1cccc(CN[C@H]2CCOC[C@@H]2CO)c1O 1878775435 QDCOEPULEDVUSM-RYUDHWBXSA-N 267.325 0.888 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1C[C@H]2C[C@H]1C[C@H]2O 1178979764 BLVVWQMNHCAXHE-JFGNBEQYSA-N 263.293 0.622 10 10 CCCE CN(C)c1ccc2c(c1)OCCN2C[C@](C)(O)CO 1884529918 OUYXDXWSRDAQLZ-AWEZNQCLSA-N 266.341 0.695 10 10 CCCE C[C@@H](N)c1ccc(N2CCO[C@@H](CS(C)(=O)=O)C2)cc1 2143672805 BJEDGQWVMWYURM-BXUZGUMPSA-N 298.408 0.956 10 10 CCCE N[C@H]1C[C@H]2CN(Cc3c(O)cccc3Cl)CCN2C1=O 1972678188 XPDHBKFBCRZPIC-CABZTGNLSA-N 295.770 0.789 10 10 CCCE CN[C@@H]1C[C@@H](C(C)C)N(C(=O)c2cc(O)nc(O)c2)C1 2145129282 AAYFSOHNTUZTOU-MNOVXSKESA-N 279.340 0.951 10 10 CCCE CCNC(=O)NC(=O)[C@@H](C)N(C)c1ccc(CN)cc1 34653878 CVQHTIOHNMWJRX-SNVBAGLBSA-N 278.356 0.816 10 10 CCCE CCNCc1ccc(N2CCOC[C@@H]2C(N)=O)c(C)c1 159016590 DZNXDOOICVPTDY-CQSZACIVSA-N 277.368 0.795 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CCCC2=O)cc1 2016998874 QYXNXWGFZYIOEN-UHFFFAOYSA-N 254.311 0.721 10 10 CCCE NN[C@H](c1ccccc1O)[C@@H]1CCCCS1(=O)=O 2029556995 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O=C(N[C@@H](C(=O)O)[C@@H]1CCCO1)c1ccc(O)c(O)c1 2172512940 ZLGHNHJSJTUPSK-WDEREUQCSA-N 281.264 0.460 10 10 CCCE C[C@H](CNCc1ccc(O)c(O)c1O)c1nn[nH]n1 392599996 CYOAFOSCDCWQBF-ZCFIWIBFSA-N 265.273 0.210 10 10 CCCE CN(C)c1ccc(CNC(=O)[C@](C)(N)C(C)(C)O)cc1 2178334037 LJMSCJINFVKAMF-HNNXBMFYSA-N 279.384 0.857 10 10 CCCE COc1ccc(CN2C[C@@H]3CCO[C@@]3(CN)C2)c(O)c1 2175185277 ZFQZXMIZXZYIQP-WFASDCNBSA-N 278.352 0.950 10 10 CCCE COCCNCc1ccc(OC[C@](C)(O)CO)c(C)c1 2168087710 KDOLVRFCVDJVDX-OAHLLOKOSA-N 283.368 0.853 10 10 CCCE C[C@@H]1COC[C@H](C(=O)O)N1C(=O)c1ccc(O)c(O)c1 2168270262 BPDPYMBXFYIEMS-VXNVDRBHSA-N 281.264 0.412 10 10 CCCE CN1CC[C@@H](NC(=O)COc2ccc(N)cc2)CC1=O 2188493153 CWKTWKJLDCIDBW-LLVKDONJSA-N 277.324 0.385 10 10 CCCE CC1(C)CN(C(=O)c2cc(O)c(O)c(O)c2)C[C@@H]1CO 2188867445 AFOMORTVGZWJSN-SECBINFHSA-N 281.308 0.894 10 10 CCCE N=C(NO)C1(NC(=O)c2cc(O)c(O)c(O)c2)CCC1 2188917859 ACGNVVULKFRFIY-UHFFFAOYSA-N 281.268 0.412 10 10 CCCE O=C1NC[C@H]2CN(c3ccc4c(c3)CC[C@@H]4O)CCN12 2184735856 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COc1cccc(O)c1CN[C@@H]1CO[C@H]2COC[C@@H]12 2104438283 JTCGJAUGHXBZPJ-WDMOLILDSA-N 265.309 0.904 10 10 CCCE [N-]=[N+]=NCCN[C@@]1(C(=O)O)C[C@@H]2CS(=O)(=O)C[C@@H]2C1 2104841555 TZTREVRMLAUABG-MBTKJCJQSA-N 288.329 0.164 10 10 CCCE NCc1ccc2c(c1)CCCN2C[C@H](O)CC(=O)O 2106443804 NMZMQYGBZIXBAH-GFCCVEGCSA-N 264.325 0.734 10 10 CCCE CO[C@H]1C[C@H](O)CN(C(=O)c2ccc(O)c(O)c2)C1 2109027666 KPWKSRDPBHTMQI-UWVGGRQHSA-N 267.281 0.320 10 10 CCCE COc1cc(N2CC(C(N)=O)C2)ccc1C=CC(=O)O 2204555600 ZIDXEGNUCOMCLP-UHFFFAOYSA-N 276.292 0.715 10 10 CCCE COCCNC(=O)CN(C)c1ccc(CN)c(OC)c1 2204556608 FVOUGFRBKAWDFA-UHFFFAOYSA-N 281.356 0.353 10 10 CCCE Cc1cc([C@@H](C)O)ccc1N1CC[C@@](O)(CO)C1 2223971678 BDORYOZRZIWYLL-RISCZKNCSA-N 251.326 0.982 10 10 CCCE C[C@@H](c1ccccc1O)N(C)CCOCC(N)=O 2224080278 OPPPECAIUUYXBH-JTQLQIEISA-N 252.314 0.887 10 10 CCCE COCCN1CCN(c2ccc(OC)cc2CO)CC1 2236004393 XVWFJFWOPXIBMR-UHFFFAOYSA-N 280.368 0.956 10 10 CCCE COc1ccc(N2C[C@@H](O)[C@H](CO)C2)c(OC)c1C 2278059039 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C[C@@H]1CCN(CC(=O)N(C)c2ccc(N)cc2)[C@H]1CO 299930108 XJQDRFWRHATKHE-RISCZKNCSA-N 277.368 0.934 10 10 CCCE O=C(N[C@H]1CC12CCNCC2)c1cccc(O)c1O 389865533 YNLLTJRIQVNCCU-NSHDSACASA-N 262.309 0.970 10 10 CCCE CN(C)c1ccc([C@H](NN)[C@@H]2CO[C@@H]3COC[C@@H]32)cc1 2163092095 NXWXTABXRLSXTI-TUVASFSCSA-N 277.368 0.918 10 10 CCCE COC[C@@](C)(O)CCNC(=O)c1cc(O)cs1 833453705 IIUBCJREZYXUQN-NSHDSACASA-N 259.327 0.971 10 10 CCCE CC(=O)C(=O)COC(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@@H]21 850151965 YBRMBFUWSKCZRZ-GMTAPVOTSA-N 281.308 0.383 10 10 CCCE CCOC(=O)[C@H](N)[C@@H](Cc1ccc(O)c(O)c1)OC 1952305586 AMHWOESQFYADKW-VXGBXAGGSA-N 269.297 0.546 10 10 CCCE CC(=O)C(=O)[C@H](O)C1(N(C)C(=O)OC(C)(C)C)CC1 1953605800 BCZAJZWDKVIQEC-JTQLQIEISA-N 271.313 0.905 10 10 CCCE CC(C)(CO)c1nnc([C@H](N)c2ccc(O)cc2O)o1 83588882 LZGSWOKJCWRFIM-SNVBAGLBSA-N 279.296 0.799 10 10 CCCE COCCn1nnnc1Sc1ncc(CO)s1 1949564609 CKSDWYZGYUBZOG-UHFFFAOYSA-N 273.343 0.420 10 10 CCCE [N-]=[N+]=NCCNC(=O)CCNC(=O)c1ccoc1 701263261 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10 10 CCCE C[C@]1(CO)C[C@@H](O)CN1c1ccc2c(c1)CC[C@@H]2N 2128329128 WHDVJOBLPZJHSS-VHDGCEQUSA-N 262.353 0.955 10 10 CCCE C[C@H]1C(=O)NC(=O)CN1c1ccc2c(c1)CC[C@H]2O 2128316346 DIAUCMRAARHDCJ-QPUJVOFHSA-N 260.293 0.518 10 10 CCCE NC(=O)[C@H]1COCCN1c1ccc2c(c1)CC[C@@H]2O 2128325466 SVGHOXXHANFYGF-OLZOCXBDSA-N 262.309 0.357 10 10 CCCE CC[C@@](C)(NC(=O)c1cc(O)c(O)c(O)c1)C(N)=S 2132401233 SKPFJCUGZQFMCE-GFCCVEGCSA-N 284.337 0.988 10 10 CCCE CC(=O)C(=O)[C@@H](O)c1nc(Br)nn1C(C)C 1905518352 IGJWADMISANLRW-SSDOTTSWSA-N 290.117 0.813 10 10 CCCE [N-]=[N+]=NCCN[C@@]1(C(N)=O)CCCC12CCNCC2 1912179513 VAGNDSHAZXHOSL-GFCCVEGCSA-N 266.349 0.664 10 10 CCCE CS(C)(=O)=NCCNCc1cccc(O)c1O 1913485510 CQNJMKMGUXUZDP-UHFFFAOYSA-N 258.343 0.915 10 10 CCCE CO[C@]1(CNC(=O)Cc2ccc(O)c(O)c2)CCOC1 1296047333 ONFYQJOXRWYRPE-AWEZNQCLSA-N 281.308 0.562 10 10 CCCE C[C@H](CCO)N(C)c1ccc2c(c1)N(C)C(=O)[C@H]2N 1917032978 KAEQCUVRKYDVBW-RNCFNFMXSA-N 263.341 0.870 10 10 CCCE CCOc1ccc(N2CCN(C)C(=O)[C@H]2CO)cc1 217093569 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COc1ccc(N(C)[C@@H]2COC[C@H]2O)c(C=O)c1 2220430520 URWVDZFFUYSHCN-CHWSQXEVSA-N 251.282 0.704 10 10 CCCE COc1ccc(N2C[C@@H](O)C[C@@H](O)C2)c(CN)c1 2220415460 RKHJDDJHGFQUEI-PHIMTYICSA-N 252.314 0.086 10 10 CCCE Cc1nc[nH]c1S(=O)(=O)Nc1ccc(O)c(N)c1 2220566991 BCHNYIMCHJASQS-UHFFFAOYSA-N 268.298 0.807 10 10 CCCE Cc1cc(O)cc(C)c1NS(=O)(=O)N1CCNCC1 2231231310 UNONJJJZCULMOZ-UHFFFAOYSA-N 285.369 0.571 10 10 CCCE COc1ccc(N2CCCN(CCO)CC2)c(CN)c1 2235965092 BONSSYNXPNJHBS-UHFFFAOYSA-N 279.384 0.658 10 10 CCCE Cc1cc([C@H](C)O)ccc1N1CCC(O)(C(N)=O)CC1 2240831954 XHWAVVNVICNZFN-NSHDSACASA-N 278.352 0.865 10 10 CCCE COc1cc(C)c(N2CCOC[C@@H]2[C@@H](O)CO)c(C)c1 2285067288 DHOTWMOHUANMFS-KGLIPLIRSA-N 281.352 0.870 10 10 CCCE Nc1ccc(O)c(CN2C[C@H]3OCC[C@]3(CO)C2)c1 2278858953 HYTGTUQWMIWSJE-ZIAGYGMSSA-N 264.325 0.558 10 10 CCCE Cc1cc(CO)ccc1N1CC[C@@H](S(=O)(=O)N(C)C)C1 2279222097 OKRQQTOTNIXGFT-CYBMUJFWSA-N 298.408 0.957 10 10 CCCE Cc1cc(N2CC(=O)NC(=O)[C@@H]2C)ccc1[C@@H](C)O 2269682061 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C=COCCCNC=C1C(=O)N(C)C(=O)N(C)C1=O 48403010 BKYNHZMTFKLTJZ-UHFFFAOYSA-N 267.285 0.061 10 10 CCCE O=C(N[C@@]12CCNC[C@H]1C2)c1cc(O)c(O)c(O)c1 1891124094 USCWGPCREDMXFA-AMIZOPFISA-N 264.281 0.285 10 10 CCCE CCNC(=O)N1CC[C@@H](NC(=O)c2cccc(O)c2O)C1 279332005 QHAQPKFKCTVVJA-SECBINFHSA-N 293.323 0.631 10 10 CCCE O=[N+]([O-])c1cc2c(cc1N1CC3(CNC3)C1)OCCO2 2162845613 VMNBJMOYOAJRIN-UHFFFAOYSA-N 277.280 0.776 10 10 CCCE CN(C)c1ccc(/C=C/CN2CCO[C@H](C(N)=O)C2)cc1 835028091 PFJNSWDHAISEJV-BWPKMQGJSA-N 289.379 0.952 10 10 CCCE Cc1ccc(O)c(CNC(=O)[C@@H](O)C(C)(C)O)c1 913000004 BLNNYNCORSTHGD-LLVKDONJSA-N 253.298 0.449 10 10 CCCE Cn1cnc(CNC(=O)NCc2c(O)cccc2F)n1 921747443 OVBHKXOSVBBRSS-UHFFFAOYSA-N 279.275 0.659 10 10 CCCE CN1C[C@@H](C(=O)NCc2cc(Cl)ccc2O)NC1=O 855022977 OEBQDUMQEUBQDI-VIFPVBQESA-N 283.715 0.685 10 10 CCCE O=C(NCc1ccccc1O)[C@@H](O)C1CCOCC1 769363557 UEMNTCFBFCTZQL-ZDUSSCGKSA-N 265.309 0.796 10 10 CCCE COCCNC(=O)[C@H](N)c1cccc(OC)c1O 83398268 WMSLPLDKBZTLOZ-SNVBAGLBSA-N 254.286 0.163 10 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O=C1NCCN1CCOc1ccc(N2CCNCC2)cc1 35650813 HYDFQQSGLCRZMK-UHFFFAOYSA-N 290.367 0.500 10 10 CCCE CNC(=O)CC(=O)N[C@@H](C)c1cc(OC)ccc1O 184979012 VVWHRVBNFNHMFP-QMMMGPOBSA-N 266.297 0.714 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)CCC(=O)O 1951506009 FVBSVMHTIPFFMJ-QMMMGPOBSA-N 253.254 0.402 10 10 CCCE O=C(O)/C=C\c1cc(F)c(N2CCNC(=O)C2)c(F)c1 213593480 KVMNYTUUKBBNQC-UPHRSURJSA-N 282.246 0.999 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3CCN4CCC[C@@H]4C3)cc21 131410300 SBZMMNOTSHKUKB-IUODEOHRSA-N 286.379 0.947 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N3CCC[C@H](C(N)=O)C3)cc21 131335616 KVQWMCMNYKGQAG-ZANVPECISA-N 288.351 0.365 10 10 CCCE O=C1CN[C@H](c2cccc(Br)c2O)CN1 1951973993 ZCVGSSANVGSHLK-QMMMGPOBSA-N 271.114 0.915 10 10 CCCE CN(C)C[C@H](N)CN(C)C(=O)c1cccc(O)c1O 690178462 LYHWQIGCQFQVKU-VIFPVBQESA-N 267.329 0.059 10 10 CCCE CC(=O)C(=O)COc1cc(Cl)ccc1C(N)=O 808022911 SCBKEPZIKMVEJL-UHFFFAOYSA-N 255.657 0.976 10 10 CCCE CC(=O)Nc1c[nH]c(C)c1C(=O)OCC(=O)C(C)=O 808532394 VSFYRUGYENDKIJ-UHFFFAOYSA-N 266.253 0.596 10 10 CCCE COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)C(C)=O)c1C 808495068 LPRFDZVFXCEKGV-UHFFFAOYSA-N 281.264 0.733 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CC[C@@H](OCCO)C3)ccc21 2165427690 SJYZCUQXAWZBTF-MFKMUULPSA-N 277.324 0.226 10 10 CCCE CN(CC[S@](C)=O)CC(=O)N(C)c1ccc(N)cc1 398887795 GWGAMMJEWRXGEG-IBGZPJMESA-N 283.397 0.542 10 10 CCCE CO[C@H](Cc1ccccc1)C(=O)OCC(=O)C(C)=O 837837697 RAHXVCVVQFLMMV-CYBMUJFWSA-N 264.277 0.945 10 10 CCCE CN1CN(Cc2cc3c(cc2O)OCO3)CC1=O 765636785 SPTVOVAHASVEBW-UHFFFAOYSA-N 250.254 0.352 10 10 CCCE Nc1ccc(CS(=O)(=O)CC(=O)N2CCCC2)cc1 58236576 UYCKCIWYPGOQLK-UHFFFAOYSA-N 282.365 0.806 10 10 CCCE COCCNC[C@@H](C)N(C)C(=O)c1cccc(O)c1O 714605425 BRVYWEVXJMZPTR-SNVBAGLBSA-N 282.340 0.794 10 10 CCCE CN1CCN(c2ccc(CN)cc2F)CCC1=O 688929813 ZFBZTKJBVHRGFO-UHFFFAOYSA-N 251.305 0.953 10 10 CCCE CCN1CCO[C@H](C(=O)NCc2cc(O)ccc2O)C1 1153884254 AGRYJJOGKBEXQF-ZDUSSCGKSA-N 280.324 0.435 10 10 CCCE CN(c1ccc(CO)cc1[N+](=O)[O-])[C@H]1CCNC1=O 1916797534 BWGDGJIGKCBQFY-JTQLQIEISA-N 265.269 0.412 10 10 CCCE Cc1ccc(C(=O)N[C@H]2CC[C@H](O)[C@H](O)CC2)c(O)c1O 1178281865 UYFSQEZRXWXDBK-WLLOZRIZSA-N 295.335 0.800 10 10 CCCE O=C1Nc2cc(N3C[C@@H]4C[C@H](C3)C4O)ccc2[C@H]1O 2116300218 HSEBQJINRVKFIE-HSUMWKLJSA-N 260.293 0.489 10 10 CCCE NCc1ccc(N2C[C@H]3C[C@@H](O)[C@H](O)[C@H]2C3)cc1F 2116694900 ZEFYIFQTHDZGKO-HKSFMPNISA-N 266.316 0.605 10 10 CCCE CC(=O)NCCNC(=O)CN1CCC[C@H]1CN=[N+]=[N-] 2123016026 SGKUHTAKFUOGCF-JTQLQIEISA-N 268.321 0.013 10 10 CCCE COc1ccc(N2C[C@H]3C[C@H](O)[C@H](O)[C@H]2C3)c(N)c1 2116703831 YEUMGNJYTSSYEO-ULTHFGNCSA-N 264.325 0.598 10 10 CCCE Nc1ccc(NC(=O)N2CCC[C@@H]2[C@@H](O)CO)cc1 2123221031 VEJRWMFYYCKOSG-NEPJUHHUSA-N 265.313 0.618 10 10 CCCE N=c1nc2[nH][nH]cc-2c(=NCc2ccc(N)cc2)[nH]1 2117256544 CHDPZLHOMLCVKX-UHFFFAOYSA-N 255.285 0.333 10 10 CCCE COc1ccc(O)c(CNCc2cc(CO)n[nH]2)c1 2120113532 SIRGGWUOGMHXQY-UHFFFAOYSA-N 263.297 0.906 10 10 CCCE CN1C(=O)CO[C@@H]2CCN(c3ccc(N)cc3)C[C@@H]21 2129102448 IPRQSGZWKHHPEK-QWHCGFSZSA-N 261.325 0.705 10 10 CCCE Oc1ncc2nc(-c3cc(O)c(O)c(O)c3)nc-2[nH]1 2132405064 WPUMUBCNTQDMSY-UHFFFAOYSA-N 260.209 0.794 10 10 CCCE CN1CCC[C@@H]1CNS(=O)(=O)Cc1ccc(N)cc1 225944306 VQAOPQBYDPENHE-CYBMUJFWSA-N 283.397 0.782 10 10 CCCE OC[C@@H]1C[C@H](O)CCN1c1ccc2c(c1)CC[C@@H]2O 2136082040 OGHUTHKRBVTTTP-GUTXKFCHSA-N 263.337 0.988 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NCCCN1CCOCC1 1618352835 POWYGZZJDDJPCD-UHFFFAOYSA-N 294.351 0.479 10 10 CCCE CN1C(=O)CN=C1NC(=O)/C=C/c1ccc(O)c(O)c1 1470596515 PDMMUCQEYNGPLZ-HWKANZROSA-N 275.264 0.055 10 10 CCCE CC(=O)c1cn(CC(=O)N(C)Cc2ccccc2O)nn1 1629954933 KOPWBFDDSMUGJH-UHFFFAOYSA-N 288.307 0.845 10 10 CCCE COc1cccc(CNC(=O)[C@@]2(O)CCOC2)c1O 1595799945 KZMXMDAXMSIMNT-CYBMUJFWSA-N 267.281 0.168 10 10 CCCE CN1C[C@@H](NC(=O)/C=C\c2ccc(O)c(O)c2)CCC1=O 1772911297 SONIJUVNIWYXFI-UUSYTGMJSA-N 290.319 0.848 10 10 CCCE Cc1cccc(CNC(=O)[C@H](N)[C@H]2CCOC2)c1O 2139758281 QOBGDAYENJCTBV-NWDGAFQWSA-N 264.325 0.681 10 10 CCCE Nc1ccc2c(c1)CC(=O)N2C(=O)C[C@H]1CCCN1 258732402 ODFNYWORYBUTQX-LLVKDONJSA-N 259.309 0.827 10 10 CCCE C[C@@H](NCc1ccccc1O)C(=O)N1CCOCC1 134522433 UUXSVMLAWXCVAO-LLVKDONJSA-N 264.325 0.729 10 10 CCCE C[C@@H]1CN(C)CCN1CC(=O)N(C)c1ccc(N)cc1 235466890 PZZRJGMXJONNKI-GFCCVEGCSA-N 276.384 0.868 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CCC3(CNC3)C2)cc1 1876174881 UOVSIZWKNAPXSJ-UHFFFAOYSA-N 281.381 0.394 10 10 CCCE CN(c1cc2c(cc1N)OCCO2)[C@H]1[C@@H]2CNC[C@@H]21 1876267616 QHZUVXGFEYOJDZ-QRJZZWFUSA-N 261.325 0.694 10 10 CCCE NC(=O)c1cc(N)cnc1NCc1ccc(N)cc1 1876389515 KPQQJHYDIZXFEY-UHFFFAOYSA-N 257.297 0.957 10 10 CCCE CO[C@H]1CN(C(=O)CCc2ccc(N)cc2)C[C@@H]1N 1876495639 RCQYVMHZOSALEQ-STQMWFEESA-N 263.341 0.386 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CCCN(CCO)CC1 236529337 YNZYECGVYLWFGD-UHFFFAOYSA-N 280.324 0.238 10 10 CCCE CN(C)c1ccc(CN(C)[C@H]2CS(=O)(=O)C[C@H]2O)cc1 2143421851 RQSOIVHDBMJQTM-UONOGXRCSA-N 298.408 0.342 10 10 CCCE [N-]=[N+]=NCCCCNC(=O)[C@@H]1CO[C@@H]2COC[C@@H]21 1964943122 LPXOYPJKVRTZKB-OPRDCNLKSA-N 254.290 0.855 10 10 CCCE Cc1nnc2n1C[C@H](C(=O)NCc1ccc(N)cc1)C2 1966807814 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ZSEPSXWJSUOGDG-UHFFFAOYSA-N 251.374 0.814 10 10 CCCE CC[C@@H](N)c1ccc(N2C[C@@H](O)[C@@H](CO)C2)cc1 316583670 WGZYMMWFGOASAX-MRVWCRGKSA-N 250.342 0.886 10 10 CCCE Nc1ccc(OCCS(=O)(=O)N2CC=C[C@@H]2CO)cc1 2176341677 DSOOOMHKLXWVAA-GFCCVEGCSA-N 298.364 0.210 10 10 CCCE C[C@H]1CN(S(=O)(=O)NCc2ccccc2O)C[C@@H](C)N1 2161253643 BMXBRWBITFZDJO-PHIMTYICSA-N 299.396 0.409 10 10 CCCE COc1cccc(CN2C[C@H]3[C@@H](C2)OCCN3C)c1O 93642133 SNDJOGIXAHUTRP-GXTWGEPZSA-N 278.352 0.916 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCN1S(=O)(=O)c1cnc[nH]1 703037428 OOZKRBNGZUMIGP-ZETCQYMHSA-N 256.291 0.873 10 10 CCCE CN1CCN(C(=O)c2ccc(O)c(O)c2)[C@@H](C(N)=S)C1 690059331 ZDISYGOHLDVOHV-SECBINFHSA-N 295.364 0.140 10 10 CCCE CCCN[C@H]1C(=O)Nc2cc(N3CC(O)C3)ccc21 384068175 SKTOPLBMOFWJTK-CYBMUJFWSA-N 261.325 0.860 10 10 CCCE CCOc1cccc(CNCc2nnnn2C)c1O 389368110 WKLFAOLUPUBSAL-UHFFFAOYSA-N 263.301 0.604 10 10 CCCE C[C@H](N[C@H]1CCN(C(N)=O)C1)c1ccc(O)cc1O 393297016 NYHFLWJSELLYMM-IUCAKERBSA-N 265.313 0.901 10 10 CCCE CCOC(=O)[C@@H](NCCN=[N+]=[N-])c1cncnc1 394074435 GRSXNHUDNOPOOX-VIFPVBQESA-N 250.262 0.981 10 10 CCCE C[C@@H](O)[C@H]1CN(CC(=O)c2ccc(O)c(O)c2)CCO1 2174174843 HDEUUSKMAIEBFY-YMTOWFKASA-N 281.308 0.362 10 10 CCCE C[C@H](c1ccc(O)cc1O)N1C[C@H](CC(=O)O)[C@@H](O)C1 2174350955 HUDONLLTSPHOPF-ZDMBXUJBSA-N 281.308 0.926 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NCC[C@@H]1COC[C@@H]1O 2167593720 YKIRNTZYQFWSFF-MFKMUULPSA-N 281.308 0.154 10 10 CCCE CN(Cc1ncn(C)n1)S(=O)(=O)Cc1ccc(N)cc1 2178356970 CETQRJRAXMESDI-UHFFFAOYSA-N 295.368 0.359 10 10 CCCE CN1CCN(CC(=O)Nc2ccc(N)cc2)CC12CC2 2188413605 NJIRZCWJOMLTPP-UHFFFAOYSA-N 274.368 0.987 10 10 CCCE C[C@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)CC[C@@H]1CN 2188908744 FQUOQENDHFFGOB-DTWKUNHWSA-N 280.324 0.860 10 10 CCCE OCC1(NCc2ccc(N3CCOCC3)cc2)COC1 2189264517 OJAODCFDMFPVBV-UHFFFAOYSA-N 278.352 0.374 10 10 CCCE CN(C)CCCONC(=O)Cc1ccc(N)cc1 2044578942 LKGZUIQZOBEMGP-UHFFFAOYSA-N 251.330 0.811 10 10 CCCE C[S@](=O)CC1CN(C(=O)c2cccc(O)c2O)C1 2047848459 TXRJTJXFKZSOLA-SFHVURJKSA-N 269.322 0.548 10 10 CCCE C[C@@H]1OCCO[C@@H]1C(=O)NCC1(CN=[N+]=[N-])CC1 2054028335 CSBIJSNHBKVJEO-IUCAKERBSA-N 254.290 0.997 10 10 CCCE C[C@@H](N)[C@@H](NC(=O)c1ccc(O)c(O)c1)C1CC1 2055809876 LCYLTTHRZWYWSO-JMCQJSRRSA-N 250.298 0.953 10 10 CCCE NC[C@@H]1COC[C@@H]1NC(=O)CCOc1ccc(N)cc1 2191676263 PLNBVGLLIZCJRE-MFKMUULPSA-N 279.340 0.128 10 10 CCCE C[C@@H]1C[C@@H](N)CN(c2cc3c(cc2N)OCC(=O)N3)C1 2191627856 UDGFEBSCEQJYGW-RKDXNWHRSA-N 276.340 0.773 10 10 CCCE Nc1cc2c(cc1N1CC[C@@H](N)[C@@H](CO)C1)OCCO2 2191790439 OXWUDJZTMYVFRB-NXEZZACHSA-N 279.340 0.186 10 10 CCCE Nc1ccc(OCC(=O)N[C@H]2CCNCC23CC3)cc1 2191886910 GOHXRUCJTLMWDF-ZDUSSCGKSA-N 275.352 0.906 10 10 CCCE CC1(C)OC[C@H](NC(=O)Cc2ccc(O)c(O)c2)[C@@H]1O 2199439148 IYPXQJATVJOSSZ-ZANVPECISA-N 281.308 0.295 10 10 CCCE [N-]=[N+]=N[C@H]1CCN(C(=O)[C@@H]2CCc3nncn3C2)C1 2103650820 XLRDKXGECDYSBP-BDAKNGLRSA-N 261.289 0.752 10 10 CCCE O=C(O)[C@H](NCc1ccc(F)cc1O)C1COC1 2084075922 VAZWFDDGLRASPC-LLVKDONJSA-N 255.245 0.721 10 10 CCCE COc1cc(N2C[C@@H](O)C[C@H](O)C2)ccc1CN 2084014820 XGMZJAWMYPGVBF-RYUDHWBXSA-N 252.314 0.086 10 10 CCCE CN1CCc2cc(N3CCC[C@@](O)(CN)C3)ccc21 2106801317 NCIDORSAEKLVAP-OAHLLOKOSA-N 261.369 0.969 10 10 CCCE CN[C@@H]1COC[C@@H]1[C@H](O)c1ccc2c(c1)CCN2C 2106805385 NCAUEGOSVDCDAX-GZBFAFLISA-N 262.353 0.947 10 10 CCCE CN(C)c1ccc([C@H](O)C2(CN)CS(=O)(=O)C2)cc1 2089877204 ROYZBRSNIBIVSP-LBPRGKRZSA-N 284.381 0.160 10 10 CCCE COc1cc(OC)c([C@H](O)C(=O)C(C)=O)c(OC)c1 2090885205 UQKDBNDZFGLBBL-ZDUSSCGKSA-N 268.265 0.904 10 10 CCCE C[C@H](CC(N)=O)N(C)S(=O)(=O)Cc1ccc(N)cc1 2094991706 XELOHTLYHGRXKL-SECBINFHSA-N 285.369 0.294 10 10 CCCE CC[C@H](NC)c1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)cc1 2201031843 BWGXLBUHXTZTEF-AJNGGQMLSA-N 280.368 0.260 10 10 CCCE C[C@@H](O)c1ccc(N2CCN(C)C[C@@H]2CCO)cc1O 2202812777 QDFQBLFZQNVQII-YPMHNXCESA-N 280.368 0.948 10 10 CCCE COc1cc(N2CCN([C@H](C)CO)CC2)ccc1CN 2204548102 NFXWCKNFVHJVGL-GFCCVEGCSA-N 279.384 0.657 10 10 CCCE O[C@H]1[C@@H](CF)N(c2ccc(CNC3CC3)cc2)C[C@H]1O 2205610713 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CN[C@H](C)c1ccc(N2CCO[C@H](CO)C2)cc1O 168118797 DSQFNJIVQFRKMT-PWSUYJOCSA-N 266.341 0.870 10 10 CCCE COC(=O)c1cc(OC)c(O)c([C@@H](N)CC(=O)O)c1 258405690 BKWRVMFDTMDZMA-QMMMGPOBSA-N 269.253 0.662 10 10 CCCE C[C@@H](CC(N)=O)N(C)c1cc2c(cc1Cl)[C@H](N)C(=O)N2 2151340551 OBQAHSZVOQKILU-QTTZVWFDSA-N 296.758 0.992 10 10 CCCE CN1C(=O)C[C@H](N(c2ccc(CN)cc2)C2CC2)C1=O 2152384639 MRNQFUIFKCIFHA-ZDUSSCGKSA-N 273.336 0.871 10 10 CCCE CN1CCN(C)[C@@H](C(=O)N2CCC[C@H](CN=[N+]=[N-])C2)C1 2155745064 ZLGQUZKWMDQXBK-VXGBXAGGSA-N 280.376 0.781 10 10 CCCE N=c1[nH][nH]cc1S(=O)(=O)Nc1ccc(N)cc1 2016966584 PTAALIPUCRWLOB-UHFFFAOYSA-N 253.287 0.205 10 10 CCCE CS(=O)(=O)CNC(=O)N1CCC[C@@H]1CN=[N+]=[N-] 2024079671 QOQJMAMBYVCWOI-SSDOTTSWSA-N 261.307 0.473 10 10 CCCE CN(C)[C@H]1CN(c2ccc(CO)cc2F)C[C@H]1O 2029436948 QAYOXVCPDIAEIJ-QWHCGFSZSA-N 254.305 0.429 10 10 CCCE CN1CCCc2cc(CN[C@H]3COC[C@@H]3O)ccc21 323531504 KPTCDQVIIZCNEB-ZFWWWQNUSA-N 262.353 0.918 10 10 CCCE C[C@H](CS(C)(=O)=O)NC(=O)CCc1ccc(N)cc1 81901389 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C[C@H](NC[C@@H]1CNC(=O)C1)c1cc(O)ccc1O 398362809 OBDLDUFKDKHHKK-DTWKUNHWSA-N 250.298 0.885 10 10 CCCE N=c1[nH]c2c(c(=NCc3ccccc3O)[nH]1)COCC2 2173729513 UAZYPISBMMIFLD-UHFFFAOYSA-N 272.308 0.701 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1C[C@@H]1N1CCOCC1 2062779675 LTKKWQVVLIEYCX-NEPJUHHUSA-N 292.335 0.230 10 10 CCCE Cc1cc(O)n2ncc(C(=O)N(C)C[C@H]3C[C@@H](O)C3)c2n1 2065109756 YRHQRRVTLJCEHD-AOOOYVTPSA-N 290.323 0.586 10 10 CCCE CN1CCN(C(=O)CCOc2ccc(N)cc2)[C@@H]2C[C@H]21 2168384461 JJIJARMVTFRNAT-ZIAGYGMSSA-N 275.352 0.953 10 10 CCCE C[C@H](CNC(=O)c1cccc(O)c1O)N1CCNCC1 2192456551 NREHQILEODTXPN-SNVBAGLBSA-N 279.340 0.121 10 10 CCCE CN(C(=O)C1=C[C@@H](O)[C@H](N)C1)c1ccccc1C(=O)O 2188017315 AALQVAVKRLOMNS-ZYHUDNBSSA-N 276.292 0.366 10 10 CCCE C[C@H](O)c1ccc(N2C[C@@H]3C[C@H](C2)[C@@H](O)[C@@H]3O)cc1O 2182557051 ROXVETQMWJLVMR-TUWBQHJRSA-N 279.336 0.623 10 10 CCCE CCOCC(=O)N1CCN(c2ccc(CO)cc2)CC1 2182581638 KPTMANPQUFSFHZ-UHFFFAOYSA-N 278.352 0.864 10 10 CCCE O=C1C[C@@H](NCCc2ccc(O)c(O)c2)CCN1 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COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2COC(=O)N2)c1 827304114 UAKGUFXUPPCLMY-XCBNKYQSSA-N 280.280 0.686 10 10 CCCE OC[C@]1(O)CCCN(Cc2cc3c(cc2O)OCO3)C1 839160249 SBKVSDPYJBSKAH-AWEZNQCLSA-N 281.308 0.440 10 10 CCCE Cn1cnc(COC(=O)COc2ccc(N)cc2)n1 1892615371 SMFVHGUOIMVEMQ-UHFFFAOYSA-N 262.269 0.520 10 10 CCCE CC(C)(O)[C@H](O)C(=O)NCc1c(O)cccc1F 928710816 KILOUWGJPOPMDY-SNVBAGLBSA-N 257.261 0.279 10 10 CCCE C[C@H](N)c1ccc(N2CC[C@](C)(O)[C@H](O)C2)cc1O 1893324731 INEABEDYXBBBSI-FZZIBODNSA-N 266.341 0.734 10 10 CCCE O=S1(=O)CC[C@@H](NCc2cccc(O)c2O)C1 42290229 CLQMFBJTTPHLON-SECBINFHSA-N 257.311 0.375 10 10 CCCE CO[C@@H]1COC[C@H]1NC(=O)NCc1c(O)cccc1F 923037191 NOKMISUXIOMQRV-ZYHUDNBSSA-N 284.287 0.744 10 10 CCCE N[C@@H](CC1(c2cc(O)c(O)c(O)c2)CC1)C(=O)O 1952089995 LYBHYEFWNWDHJU-ZETCQYMHSA-N 253.254 0.637 10 10 CCCE CCN(CC)c1ccc([C@@H](O)[C@@H](N)C(=O)O)cc1 1951883250 CCBWWKURDIYOHK-VXGBXAGGSA-N 252.314 0.978 10 10 CCCE COC(=O)[C@@H](O)CCNCc1cccc(F)c1O 83419382 SVGZBAPUDYTAET-JTQLQIEISA-N 257.261 0.545 10 10 CCCE C[C@@H](O)CNC(=O)c1ccc(N=NC(N)=O)cc1 1137612926 ZOFUNOGYYYKPMP-SSDOTTSWSA-N 250.258 0.960 10 10 CCCE Nc1ccc(OCc2nnc3sc(N)nn23)cc1 82570819 NAAVZIMJJAGLSN-UHFFFAOYSA-N 262.298 0.929 10 10 CCCE Nc1cc2c(cc1N1CCS[C@@H](CO)C1)OCCO2 720002589 KTUNVRUQBLQAIP-SECBINFHSA-N 282.365 0.954 10 10 CCCE O=C(O)[C@]12CN(Cc3ccc(O)cc3O)C[C@@H]1CCO2 707692808 CMDXLSCWASREIL-HZMBPMFUSA-N 279.292 0.773 10 10 CCCE COc1cccc(CNC[C@H]2C[C@@H](C(=O)O)CO2)c1O 714023252 HCYUNHFXUNPZIQ-GHMZBOCLSA-N 281.308 0.980 10 10 CCCE NCc1ccc(N2CC[C@H](NC(N)=O)C2)cc1F 690787476 WZOPGFLWEGAPDP-VIFPVBQESA-N 252.293 0.531 10 10 CCCE CCN[C@H](C)c1ccc(N2C[C@H](O)C[C@H]2CO)cc1O 698129949 LMZPCPAGXBJEKC-KGYLQXTDSA-N 280.368 0.995 10 10 CCCE C[C@](O)(CO)CNCc1ccc(N2CCOCC2)cc1 90286589 ZJGVJNDBUDIVIT-OAHLLOKOSA-N 280.368 0.356 10 10 CCCE C[C@H](N)c1ccc(N2CC3(CNS(=O)(=O)C3)C2)cc1 2119565761 GDFOUIXXOJLBDK-JTQLQIEISA-N 281.381 0.446 10 10 CCCE NC[C@@H]1CN(c2ncc[nH]c2=O)Cc2ccccc21 2119631589 IDYFOLLEWBFNHZ-LLVKDONJSA-N 256.309 0.832 10 10 CCCE COc1ccc(CN[C@@H](C)[C@@H](C)NC(=O)C(N)=O)cc1C 1329107994 GPPVQIUXEZBMQS-WDEREUQCSA-N 293.367 0.472 10 10 CCCE CN1C(=O)O[C@@H]2CN(c3ccc(CN)cc3F)C[C@H]21 2120407588 DSHJHMLGWUKYKF-VXGBXAGGSA-N 265.288 0.924 10 10 CCCE C[P@]1(=O)C[C@H](O)[C@@H](NC(=O)c2cccc(O)c2O)C1 2121334544 SZBYPKCGARMOMF-KKEFNLOKSA-N 285.236 0.564 10 10 CCCE C[C@H](CNC(=O)c1cc(O)c(O)c(O)c1)CC(=O)O 2132348649 PZNBYDHSGXWVQF-LURJTMIESA-N 269.253 0.644 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@H]2C[C@H]1C[C@@H]2O 2132348592 OQYGSLATUHXDLR-VGMNWLOBSA-N 265.265 0.399 10 10 CCCE N[C@@H]1CC[S@](=O)(=NC(=O)c2cc(O)c(O)c(O)c2)C1 2132412957 IXBGKJRUZBBKPB-QOLSBQFWSA-N 286.309 0.143 10 10 CCCE COc1ccc(N2CCN[C@@H]3COC[C@H]32)cc1OC 2132559762 NBPSOVHYXLKYKJ-VXGBXAGGSA-N 264.325 0.881 10 10 CCCE C[C@](NCCN=[N+]=[N-])(C(=O)O)[C@@H]1CCS(=O)(=O)C1 1912198686 JMRDAHAOOQIHFC-VXNVDRBHSA-N 276.318 0.164 10 10 CCCE CN1CCN(C(=O)CN2CCC(CN=[N+]=[N-])CC2)CC1 1912189732 YDMCLLZDBFAPLB-UHFFFAOYSA-N 280.376 0.783 10 10 CCCE Nc1ccc(OC[C@H](O)CN2CC[C@]23CCOC3)cc1 1915823091 ROGKWHPNXPEWTN-UKRRQHHQSA-N 278.352 0.873 10 10 CCCE N[C@@H]1CCC[C@@H]2CN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 230127666 QFZXVINKEJRDPL-DVVUODLYSA-N 277.324 0.692 10 10 CCCE C[C@@H]1CCN(c2ccc3c(c2)NC(=O)[C@@H]3N)C[C@@H]1O 230260497 NYBHWFRWTAPIFI-OXHMUOHRSA-N 261.325 0.846 10 10 CCCE Nc1ccc(CCC(=O)NC[C@@H]2[C@H]3CN[C@H]2C3)cc1 2138289524 UERKUKNQYVHLCA-BNOWGMLFSA-N 259.353 0.926 10 10 CCCE CC[C@H]1C(=O)NC(=O)CN1CCCc1ccc(N)cc1 122670738 WQPNFONNHQAMRA-ZDUSSCGKSA-N 275.352 0.938 10 10 CCCE Cn1cc(C(=O)NCc2ccc(O)c(O)c2)n(C)c1=O 1595596484 WXELLKZPOMSRJF-UHFFFAOYSA-N 277.280 0.065 10 10 CCCE C[C@@H](CNC(=O)COc1ccc(N)cc1)[S@@](C)=O 164988964 GRKANVSXLKPZBX-YYSFKGJASA-N 270.354 0.531 10 10 CCCE C[S@@](=O)CCNC(=O)CCOc1ccc(N)cc1 157743345 XTWKAQBDTIXKAX-SFHVURJKSA-N 270.354 0.532 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3C[C@H](O)[C@@H](O)C3)c(Cl)cc21 234438432 JRUMPORUHFZWAN-SRVKXCTJSA-N 297.742 0.094 10 10 CCCE NC1CC(S(=O)(=O)Nc2ccc(O)c(F)c2)C1 1945607837 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O=C(N[C@H](C(=O)O)[C@H]1CCOC1)c1ccc(O)c(O)c1 2149312474 TUVVXVQKXBSFPQ-KWQFWETISA-N 281.264 0.317 10 10 CCCE CO[C@H]1C[C@H](C(=O)O)N(C(=O)Cc2ccc(N)cc2)C1 40480465 WGOCNYRBILKFMZ-NWDGAFQWSA-N 278.308 0.512 10 10 CCCE COc1c(C)[nH]c(C2=S=Nc3ccccc32)nc1=NN 2159945377 SWLKFWMCBUOGOB-UHFFFAOYSA-N 287.348 0.981 10 10 CCCE Nc1ccc(OC[C@H](O)CN2CC[C@@]3(CCO3)C2)cc1 2153330056 GAKZBKFTSFGFOS-UKRRQHHQSA-N 278.352 0.873 10 10 CCCE Oc1ccc(CCN[C@H]2CN[C@]3(CCOC3)C2)cc1O 2155306678 PVFCWEGHZMVWAV-IUODEOHRSA-N 278.352 0.751 10 10 CCCE C[C@](O)(C1CS(=O)(=O)C1)[C@@H](N)c1ccccc1O 2031142898 BMGUTPXPRCQIRU-RYUDHWBXSA-N 271.338 0.188 10 10 CCCE C[C@H](NC(N)=O)C(=O)N(C)Cc1ccc(N)cc1 2031615991 ODOSNVKPRHIJHN-QMMMGPOBSA-N 250.302 0.284 10 10 CCCE C[C@@H](N)[C@@H]1CCCN1C(=O)c1cc(O)nc(O)c1 2032069474 YGKWXSOECUZKPT-APPZFPTMSA-N 251.286 0.445 10 10 CCCE Oc1ccc(CNC[C@H]2COCCCO2)cc1O 2036458983 YJNZTTFLXOSYFD-NSHDSACASA-N 253.298 0.993 10 10 CCCE CC[C@]1(NC(=O)c2cc(O)nc(O)c2)CCNC1 2039838701 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0.584 10 10 CCCE CNCc1cc(OC)ccc1N1CC(O)(COC)C1 2227682499 HZBDFLJYFFYTQK-UHFFFAOYSA-N 266.341 0.612 10 10 CCCE COCCOCCOCC(=O)NCCCCN=[N+]=[N-] 2227742473 FLBHOHAJRHIEGD-UHFFFAOYSA-N 274.321 0.873 10 10 CCCE COc1ccc(N2CCCC[C@@H]2C(N)=O)c(CN)c1 2227679772 NTFLHPOGRLVNOM-CYBMUJFWSA-N 263.341 0.998 10 10 CCCE Cc1ccn(NC(=O)[C@@H](N)Cc2ccc(O)c(O)c2)c1 2238427635 QAEHCHSWZAIDKS-NSHDSACASA-N 275.308 0.848 10 10 CCCE Cc1cc([C@H](C)N)ccc1N1CCN(CCO)C(=O)C1 2240848047 XPKFYQMCGGUMAO-LBPRGKRZSA-N 277.368 0.656 10 10 CCCE CN[C@@H]1CCc2cc(N3CC[C@@H]3[C@H](O)CO)ccc21 2270714845 YJEUFLOTTZSODY-RBSFLKMASA-N 262.353 0.825 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@H]2COC[C@H]1C2 2271347114 FOTFJPQFIZYIBO-IONNQARKSA-N 265.265 0.664 10 10 CCCE CC[C@@H]1[C@@H](O)CCN1C(=O)c1cc(O)c(O)c(O)c1 2273217687 ZNTSHFOXKJYRJZ-BDAKNGLRSA-N 267.281 0.789 10 10 CCCE C[C@@H](NC(=O)CCNCCO)c1ccccc1O 2319810683 RZAHZPKMVZIVSE-SNVBAGLBSA-N 252.314 0.541 10 10 CCCE NC[C@H]1C[C@H](NC(=O)c2ccc(O)c(O)c2)[C@@H]2C[C@H]12 2329882339 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C[C@@H](CO)CNC(=O)CCOc1ccc(N)cc1 86616719 IHGWKVORLZYKGC-SNVBAGLBSA-N 252.314 0.782 10 10 CCCE Nc1ccc(OC[C@@H](O)CN2CCn3cnnc3C2)cc1 81530714 BQCRXEWAWOGPEP-LBPRGKRZSA-N 289.339 0.116 10 10 CCCE COc1cccc(CNC(=O)NCc2cnn(C)n2)c1O 807565810 JWDVMUVIYCHVMK-UHFFFAOYSA-N 291.311 0.529 10 10 CCCE CN(C(=O)N1CCO[C@H](C(=O)O)C1)c1ccc(N)cc1 2162713501 WTDOWCSEKWKMJU-NSHDSACASA-N 279.296 0.610 10 10 CCCE CCN(CC)c1ccc([C@@H](Cn2cnnn2)NN)cc1 2163157448 CWTWLURAPJHQAT-CYBMUJFWSA-N 275.360 0.724 10 10 CCCE CC(=O)C(=O)COC(=O)[C@H](C)N(C)CC(F)(F)F 808546796 BBSYJGRZFGTEMX-LURJTMIESA-N 269.219 0.570 10 10 CCCE C[C@@H](NCC1(S(N)(=O)=O)CC1)c1ccc(O)cc1O 713950880 WURKCUMCFFDECD-MRVPVSSYSA-N 286.353 0.570 10 10 CCCE CN1[C@H]2CC[C@H]1CN(C(=O)COc1ccc(N)cc1)C2 723924018 MVOUAHKSDJUENR-STQMWFEESA-N 275.352 0.953 10 10 CCCE COc1ccc(N2CCN([C@H]3CNOC3)CC2)cc1 722495866 RGTRJHAKNSFVGC-ZDUSSCGKSA-N 263.341 0.721 10 10 CCCE CN[C@H](C)[C@@H]1CCCN(C(=O)c2cc(O)nc(O)c2)C1 721634232 UOMCLDBUYBELEB-NXEZZACHSA-N 279.340 0.953 10 10 CCCE CON1CCC(C(=O)NCc2ccc(O)cc2O)CC1 824495550 ZFKQEFIWHCIINE-UHFFFAOYSA-N 280.324 0.987 10 10 CCCE COc1ccc(O)c([C@H](C)NC(=O)[C@H](O)C(C)(C)O)c1 901128587 YKHXCJCNZGHTEK-UFBFGSQYSA-N 283.324 0.710 10 10 CCCE Nc1ccc(NC(=O)CCN2CCOCCO2)cc1 1899653459 FNKFDOUBNTYTHO-UHFFFAOYSA-N 265.313 0.861 10 10 CCCE Nc1cc2c(cc1N1[C@H]3COC[C@H]1C3)NC(=O)CO2 1899614161 XERNZHHPWSKMAF-HTQZYQBOSA-N 261.281 0.577 10 10 CCCE C[C@@H](O)CN(CCO)Cc1ccc(N2CCOCC2)cc1 930509832 NJJQYVBSUPAXJY-CQSZACIVSA-N 294.395 0.698 10 10 CCCE N=[N+]=C1c2cccc([N+](=O)[O-])c2C(S(=O)(=O)O)=C[C@@H]1O 888084781 SKKSJTXCXPJHCH-ZETCQYMHSA-O 298.256 0.226 10 10 CCCE COC(=O)CNCc1c(O)cc(OC)cc1OC 83408688 HSKWRSDPWGYOCY-UHFFFAOYSA-N 255.270 0.672 10 10 CCCE C[C@H](c1c(O)cccc1O)N1CCO[C@@H]2CNC[C@H]21 686537267 OSZFMMWOJKPWAG-GIPNMCIBSA-N 264.325 0.831 10 10 CCCE COC[C@@](C)(CO)N(C)C(=O)Cc1ccc(N)cc1 708344168 CEJCUBIDYVSHAV-CQSZACIVSA-N 266.341 0.667 10 10 CCCE CN(C[C@@H]1CCC[C@H]1O)C(=O)c1cc(O)nc(O)c1 689197388 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O=C(N[C@H]1C[C@H](CCO)C1)c1cc(O)c(O)c(O)c1 1906433065 BZUVZRIZOIEZNV-XWEPSHTISA-N 267.281 0.694 10 10 CCCE CCOC(=O)[C@]1(NCCN=[N+]=[N-])CCO[C@@]12CCOC2 1912187803 JZUKAODHXBJJNJ-VXGBXAGGSA-N 284.316 0.768 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)N1CCC[C@H](O)C1 1914105727 NKDPNVHPBOYKKG-NSHDSACASA-N 280.324 0.807 10 10 CCCE O=C(NCc1c(O)cccc1O)c1cc(O)ncn1 1472063527 LWEDMXVEZUBCTE-UHFFFAOYSA-N 261.237 0.523 10 10 CCCE N[C@H]1CCc2cc(N3CC[C@H](O)C[C@H]3CO)ccc21 2136080032 INNUALSWWDMOIG-YDHLFZDLSA-N 262.353 0.955 10 10 CCCE CCCNC(=O)CN(C)C(=O)c1ccc(O)c(O)c1 227012885 KTERHEVRJDRABB-UHFFFAOYSA-N 266.297 0.696 10 10 CCCE CN(C)[C@@H]1COC[C@@H]1NC(=O)Cc1ccc(N)cc1 1922103283 LCNOXXSBEQSBSA-QWHCGFSZSA-N 263.341 0.257 10 10 CCCE COc1ccc(N2[C@H](C)CN(C)C(=O)[C@H]2CN)cc1 216993330 HOVYVYZEDXJYKM-ZWNOBZJWSA-N 263.341 0.689 10 10 CCCE COC(=O)[C@@H](F)CNC(=O)/C=C\c1ccc(O)c(O)c1 1634565117 KAVURQQKEPUINY-LVCFMKKZSA-N 283.255 0.738 10 10 CCCE COc1ccc(N2CCN(C)C[C@@H]2CO)cc1OC 250361174 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Cn1ccn(CCC(=O)Nc2ccc(N)cc2)c1=O 148631924 CREBXASLGQMVNF-UHFFFAOYSA-N 260.297 0.798 10 10 CCCE Nc1ccc(CC(=O)NC[C@@H]2C[C@H]3OCC[C@H]3O2)cc1 1974127966 MHMPWGOTJFGXLM-BFHYXJOUSA-N 276.336 0.874 10 10 CCCE Nc1ccc(CCC(=O)N[C@@H]2CCCCNC2=O)cc1 158115302 DXJJIAUOXVFWAP-CYBMUJFWSA-N 275.352 0.986 10 10 CCCE CCOC(=O)C[C@H](N)c1cc(S(C)(=O)=O)ccc1O 260644916 UMOIHIQQTHXEBM-JTQLQIEISA-N 287.337 0.749 10 10 CCCE CCN(CC(=O)N(C)C)c1cc2c(cc1N)OCCO2 36198194 OTXCFEHPCLFBTN-UHFFFAOYSA-N 279.340 0.955 10 10 CCCE CN1CCCN(C[C@H](O)COc2ccc(N)cc2)CC1 36670130 ASGVGBDYUGHDJJ-AWEZNQCLSA-N 279.384 0.646 10 10 CCCE C[C@H]1CN(Cc2cc3c(cc2O)OCO3)CCS1(=O)=O 265669491 AVYDQDFCDQFNIF-VIFPVBQESA-N 299.348 0.740 10 10 CCCE CCOCCCNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 40458592 SVXIMFKHIAFVOD-NSHDSACASA-N 282.340 0.510 10 10 CCCE Nc1ccc(OC[C@H](O)COC[C@H]2COCCO2)cc1 2154024850 CQRAJNHLZLWUCM-TZMCWYRMSA-N 283.324 0.441 10 10 CCCE C[C@H](C(=O)Nc1ccc(N)cc1)N1CCS(=O)CC1 49691221 HZXCGAMEJPPYKV-SNVBAGLBSA-N 281.381 0.660 10 10 CCCE CN1CCCc2cc(CNCCNS(C)(=O)=O)ccc21 50286323 OAKRMPXWTDDUFY-UHFFFAOYSA-N 297.424 0.708 10 10 CCCE Nc1ccc(OCCC(=O)NC[C@H](O)CF)cc1 2032861075 XTHRTCFRUAJMOK-SNVBAGLBSA-N 256.277 0.484 10 10 CCCE CC(C)OC(=O)CNS(=O)(=O)Cc1ccc(N)cc1 308766451 XWGMGEWEMHTEGP-UHFFFAOYSA-N 286.353 0.640 10 10 CCCE N[C@@H]1CC[C@H]2CN(C(=O)c3cccc(O)c3O)C[C@H]12 312023932 ZKTVODRITRVRRJ-INTQDDNPSA-N 262.309 0.907 10 10 CCCE Nc1ccc(CCC(=O)NC[C@H]2C[C@@H](CO)CO2)cc1 2157548870 VUZVXNKOZXQOTL-GXTWGEPZSA-N 278.352 0.715 10 10 CCCE CC(=O)c1ccc(O)c(CN2CCC[C@](O)(CO)C2)c1 313686562 UAHRXSSCMXMHGX-OAHLLOKOSA-N 279.336 0.914 10 10 CCCE CNCc1ccc(N2C[C@@H](O)[C@H](CO)C2)c(C)c1 316875006 BCVJOPRRXDAVIR-GXTWGEPZSA-N 250.342 0.504 10 10 CCCE C[C@@H]1C[C@@H](F)CN1C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 2160292012 NTUBZTPWDYKXHK-IEBDPFPHSA-N 282.315 0.927 10 10 CCCE COc1cc(N)c(N2C[C@H]3C[C@H]2[C@H](O)[C@H]3O)cc1OC 2160704656 RYZRCCFGYRIQIB-XQJPUGBWSA-N 280.324 0.216 10 10 CCCE O=C(O)[C@@]12COC[C@H]1CN(Cc1ccc(O)cc1O)C2 2160983602 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COCC[C@](COC)(NCCN=[N+]=[N-])C(=O)OC 2047289433 VKFCYCSCYKPMMN-SNVBAGLBSA-N 260.294 0.481 10 10 CCCE N[C@H](C[C@H]1CCCO1)C(=O)C(=O)C[C@H]1C[C@H](N)C1 2049781831 ZPRZRQMWUIQGEC-GWOFURMSSA-N 254.330 0.148 10 10 CCCE Oc1cccc(CNC2CN(C3COC3)C2)c1O 2051494431 WRTZADJBBJYTOL-UHFFFAOYSA-N 250.298 0.270 10 10 CCCE Nc1cc2c(cc1N1CC(F)(CO)C1)OCCO2 2052728404 GRSPXTYYPDQNJI-UHFFFAOYSA-N 254.261 0.561 10 10 CCCE Cc1cc(N2CC[C@@H]3OCC(=O)N[C@@H]3C2)ccc1CN 2185521235 HUENJGFPUFNWSM-KGLIPLIRSA-N 275.352 0.547 10 10 CCCE CN1CCCC12CN(S(=O)(=O)Cc1ccc(N)cc1)C2 2186531615 HKKFAYHUCYVMCO-UHFFFAOYSA-N 295.408 0.879 10 10 CCCE O=C(NCC[C@H]1C[C@@H](O)C1)c1cc(O)nc(O)c1 2071812845 BSDJKWPFLJBMHA-OTSSQURYSA-N 252.270 0.384 10 10 CCCE N[C@]12CCC[C@H]1CN(C(=O)c1cc(O)c(O)c(O)c1)C2 2198092989 WCROBOWLNGIXJF-XPTSAGLGSA-N 278.308 0.757 10 10 CCCE COCC(COC)C(=O)NCCc1ccc(O)c(O)c1 2199371139 LISPPYPKIUEDGN-UHFFFAOYSA-N 283.324 0.666 10 10 CCCE NCc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3C(N)=O)c(Cl)c1 2081447390 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MSWCNOZYMABZTK-UHFFFAOYSA-N 251.330 0.987 10 10 CCCE OCCCN1CCN(c2ccc3c(c2)OCCO3)CC1 2235113747 TXJDZWMQVOVVLG-UHFFFAOYSA-N 278.352 0.962 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CNC[C@H](F)C1 2226265761 RUIUHVNSGJGVMG-ZJUUUORDSA-N 268.288 0.457 10 10 CCCE COc1ccc(N2C[C@H](C)O[C@@H](CO)C2)c(CN)c1 2227675682 KWTXXEJDJJMEBE-GXFFZTMASA-N 266.341 0.740 10 10 CCCE CSc1ncc(CNC[C@H](N)CN(C)C)s1 2243844766 QARMNFQRHQMSQT-QMMMGPOBSA-N 260.432 0.844 10 10 CCCE CSc1ncc(CNC(=O)CN2CCNCC2)s1 2256941006 QDHURBGKVBPHQP-UHFFFAOYSA-N 286.426 0.386 10 10 CCCE COc1ccc(N2CC[C@@H]2[C@H](O)CO)c(C=O)c1 2258326906 UCRAFGGBLWCDRX-CHWSQXEVSA-N 251.282 0.440 10 10 CCCE NC[C@@]12C[C@@H]1CN(c1cc3c(cc1N)OCC(=O)N3)C2 2288265961 FJCMNWFXGUHEPB-XLKFXECMSA-N 274.324 0.385 10 10 CCCE Cc1ccc(O)c([C@@H](C)N[C@@H]2CS(=O)(=O)C[C@H]2O)c1 2330863371 CQGKCYZWRATUBA-IRUJWGPZSA-N 285.365 0.509 10 10 CCCE Cc1cnc([C@](C)(NCCCN=[N+]=[N-])C(N)=O)cn1 2337018760 TXJLJBDOMNJUFX-NSHDSACASA-N 263.305 0.776 10 10 CCCE COc1ccc(N2[C@@H](C)CCNC(=O)[C@H]2CN)cc1 216995532 ZKQRKQLRMQDTHK-GXFFZTMASA-N 263.341 0.737 10 10 CCCE COc1cc(N)c(N2CCNC(=O)C2)cc1OC 213404853 HFHWRKOKVLWLSV-UHFFFAOYSA-N 251.286 0.222 10 10 CCCE CN1CCC(OC(=O)[C@@H](N)Cc2ccc(O)c(O)c2)CC1 41019182 QLQCMHABABZGOR-LBPRGKRZSA-N 294.351 0.605 10 10 CCCE CCN1CCc2cc([C@H](O)C3(C(=O)O)CNC3)ccc21 1951823478 WBVODEYUTBIMHI-ZDUSSCGKSA-N 276.336 0.777 10 10 CCCE Nc1ccc(OCCCN2CCN3C(=O)NC[C@H]3C2)cc1 91752079 ITGOEXUOHFHVKX-ZDUSSCGKSA-N 290.367 0.747 10 10 CCCE CN[C@@H](C)c1ccc(N2CCCNC(=O)C2)cc1O 93671885 YINSMFSVPISNQF-JTQLQIEISA-N 263.341 0.999 10 10 CCCE CN1C(=O)C[C@@H](NCc2cc(F)ccc2O)C1=O 234314752 DGXNLMRXTQFFPV-SECBINFHSA-N 252.245 0.378 10 10 CCCE COC1CC(NC(=O)COc2ccc(N)cc2)C1 234626916 DHGQPHDUESLAPO-UHFFFAOYSA-N 250.298 0.941 10 10 CCCE O=C(NCc1ccccc1O)NC[C@@H]1COCCN1 529382512 UGECHJVDYUWVBO-LLVKDONJSA-N 265.313 0.180 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1[C@H](CO)C[C@@H]2CCC[C@@H]21 2164649105 RPBBKCIIJFOABC-LSJOCFKGSA-N 278.308 0.868 10 10 CCCE O=C(N[C@@H]1C[C@H](C(=O)O)[C@@H]2C[C@@H]12)c1cccc(O)c1O 2166185091 PECOVKQMQPNTNE-DOLQZWNJSA-N 277.276 0.937 10 10 CCCE NS(=O)(=O)C[C@@H]1CCCN1C(=O)c1cc(O)cs1 740926313 JLCKXJVNOKVAIB-ZETCQYMHSA-N 290.366 0.347 10 10 CCCE CNCc1ccc(N2C[C@@H](CO)[C@H](CO)C2)cc1C 704778297 MSMYSSVWPFCGKE-KBPBESRZSA-N 264.369 0.751 10 10 CCCE CN1CCN(C(=O)C2=CC[C@H](N)C2)c2cccnc21 638118653 WOZICEYJADPCJV-NSHDSACASA-N 258.325 0.912 10 10 CCCE CC1(C)CN(C(=O)Cc2ccc(O)c(O)c2)C[C@H](CO)O1 1142602171 VREZOMFABHLOLO-LLVKDONJSA-N 295.335 0.639 10 10 CCCE Nc1ccc(OCC(=O)OC[C@@H]2COCCO2)cc1 690741969 WMYJAZRHWCHZNT-LBPRGKRZSA-N 267.281 0.606 10 10 CCCE CCOC(=O)c1cccc(N)c1N[C@@H]1CCNC1=O 693878486 OSMDIQBYIRROJC-SNVBAGLBSA-N 263.297 0.746 10 10 CCCE CN(Cc1ccccc1O)S(=O)(=O)c1nn(C)cc1N 699339331 CGMKEFIPZNCVNZ-UHFFFAOYSA-N 296.352 0.529 10 10 CCCE CC(C)OCCS(=O)(=O)NCc1cc(N)ccc1O 93664987 XLFDONKSMBULMQ-UHFFFAOYSA-N 288.369 0.819 10 10 CCCE C[C@H](N[C@H]1CC(=O)N(C)C1=O)c1cc(F)ccc1O 94618434 KZNDKCPJBWBGDH-XVKPBYJWSA-N 266.272 0.939 10 10 CCCE Cc1cc(CN)ccc1N1C[C@@H]2OC[C@H](CO)[C@@H]2C1 2121593426 QBJVRCRFWAIPMA-YDHLFZDLSA-N 262.353 0.897 10 10 CCCE COCCN(C)C[C@H](O)CN1CCC[C@@H]1CN=[N+]=[N-] 2123021665 WRCLPEAWNJXPBS-NEPJUHHUSA-N 271.365 0.700 10 10 CCCE NC(=O)[C@@H]1OCC[C@@H]1NCc1ccc2c(c1)CCO2 2117461869 BQZQOUZRGBQWDY-WCQYABFASA-N 262.309 0.354 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CC4(C=CCO4)C3)ccc21 2127325074 KDZYRKMOJOAPHX-LBPRGKRZSA-N 257.293 0.784 10 10 CCCE CC(=O)N1CC(C(=O)N2Cc3cccc(O)c3C2)C1 1332243369 IONVCMOTQQFDDH-UHFFFAOYSA-N 260.293 0.713 10 10 CCCE OC[C@]1(O)CCN(c2ccc3c(c2)CCC[C@H]3O)C1 2128273880 MPVOAESSAAQGCU-CABCVRRESA-N 263.337 0.990 10 10 CCCE CN1C[C@H]2C[C@H]1CN2c1ccc(CO)c([N+](=O)[O-])c1 2132055289 TZNJQXLQUQHDBH-NWDGAFQWSA-N 263.297 0.980 10 10 CCCE NC[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)C[C@@H]1F 2132401925 WRPUCMVNEVOJSF-SFYZADRCSA-N 270.260 0.172 10 10 CCCE C[C@H](N)CNCc1ccc(N2CCN(C)CC2)cc1 107797461 FKBFAGQIZBHYJO-ZDUSSCGKSA-N 262.401 0.875 10 10 CCCE CN(C[C@H](O)COc1ccc(N)cc1)C(C)(C)C(N)=O 1915543542 WXHHZAMHIKWZMU-NSHDSACASA-N 281.356 0.204 10 10 CCCE O=S(=O)(NCc1ccccc1O)N1CCC(O)CC1 1914142394 NSBLCIYUXDYXKY-UHFFFAOYSA-N 286.353 0.183 10 10 CCCE COC[C@H](O)CCNC(=O)c1ccc(O)c(O)c1 227052017 CFKCVPBXFKSAKO-SECBINFHSA-N 255.270 0.225 10 10 CCCE CC1(C)[C@H](O)CN1c1cc2c(cc1N)OCC(=O)N2 2136630562 LMKABPBADCFFQA-LLVKDONJSA-N 263.297 0.559 10 10 CCCE Cc1ccc(C(=O)N(C)C(C)(C)C(N)=O)c(O)c1O 1641421913 PXOKQBMMBXOWSD-UHFFFAOYSA-N 266.297 0.742 10 10 CCCE CN(CCS(C)(=O)=O)c1ccc2c(c1)NC(=O)[C@@H]2N 123614605 GQBOJDKXFRVEPG-LLVKDONJSA-N 283.353 0.119 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N(CCO)CC(F)F)ccc21 231323171 VCYXUITWEWJHMX-LBPRGKRZSA-N 285.294 0.963 10 10 CCCE C[C@@H]1CN(C)C[C@@H](CN)N1c1ccc2c(c1)OCO2 251528506 AOVLIXSJIFTSBK-ZYHUDNBSSA-N 263.341 0.883 10 10 CCCE COc1ccc(N2CCC[C@](N)(CO)C2)c([N+](=O)[O-])c1 2143559107 NTCJWFXTDQYEIP-CYBMUJFWSA-N 281.312 0.893 10 10 CCCE C[C@H]1OCC[C@@H]1S(=O)(=O)CC(=O)Nc1ccc(N)cc1 235605243 WTRYGSWZFLBSKW-SKDRFNHKSA-N 298.364 0.800 10 10 CCCE CN(C[C@H]1CCN1)c1cc2c(cc1N)NC(=O)CC2 1876362699 OLHLHQJRBBLVLZ-SNVBAGLBSA-N 260.341 0.952 10 10 CCCE CN(Cc1ccc(N)cc1)C(=O)c1nn(C)cc1N 1876476898 BYZABPHJGOMJPJ-UHFFFAOYSA-N 259.313 0.857 10 10 CCCE C[C@H](NC(=O)[C@]1(CO)CCCN1)c1ccccc1O 1877587302 UCLKIKHBBCIMGN-IINYFYTJSA-N 264.325 0.684 10 10 CCCE CN(Cc1ccccc1O)S(=O)(=O)C[C@@H]1CC[C@H]1N 1877525371 RLVJJFTZMOBBLC-NWDGAFQWSA-N 284.381 0.891 10 10 CCCE C[C@@H](O)c1cc(F)c(N2C[C@H](O)C[C@@H](O)C2)c(F)c1 1880478436 FLNFGSXLRNWAGY-SZEHBUNVSA-N 273.279 0.950 10 10 CCCE CN1CCc2cc([C@H](O)[C@@H](N)c3ncn(C)n3)ccc21 2147847841 LJCDMCWVUBCION-OLZOCXBDSA-N 273.340 0.541 10 10 CCCE N[C@]12CCC[C@H]1CN(C(=O)Cc1ccc(O)c(O)c1)C2 1971164719 YMZJYUMKJMANJO-NHYWBVRUSA-N 276.336 0.980 10 10 CCCE Nc1ccc(CCNC(=O)c2cc[nH]c(=O)c2)cc1 152503046 RWTBYWYUDICOOE-UHFFFAOYSA-N 257.293 0.930 10 10 CCCE NC(=O)CN(Cc1ccc(N)cc1)C[C@H]1CCCO1 35366620 CZSWPPBIIAIOFR-CYBMUJFWSA-N 263.341 0.735 10 10 CCCE C[C@H](c1c(O)cccc1O)N1CCO[C@H]2[C@@H]1[C@H]2C(=O)O 2149285016 DNTAHQPQZDWCSP-WXVIEYFRSA-N 279.292 0.943 10 10 CCCE O=S(=O)(CC1CC(O)C1)Nc1ccc(O)cc1 2005408281 CPFAEIISUJUENG-UHFFFAOYSA-N 257.311 0.905 10 10 CCCE NC(=O)[C@@H]1CCCN1C(=O)CCOc1ccc(N)cc1 40301978 XPJXSYRVBSPUME-LBPRGKRZSA-N 277.324 0.514 10 10 CCCE O=C(NC1CC(O)(C(F)(F)F)C1)c1cc(O)nc(O)c1 2158830169 WNPUDADISMKMRQ-UHFFFAOYSA-N 292.213 0.678 10 10 CCCE CN1CC2CC1(CNC(=O)COc1ccc(N)cc1)C2 2152104973 XLTSTQYBTIJHPO-UHFFFAOYSA-N 275.352 0.858 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC[C@@H](N)C2)cc1 2016890604 PBPIXVNZEUNXEA-LLVKDONJSA-N 255.343 0.132 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@H]2CC[C@@H]2N)cc1 2016970027 VDELHGSWWQNFLK-WDEREUQCSA-N 255.343 0.178 10 10 CCCE C[C@@H](CO)S(=O)(=O)N[C@H](C)c1ccccc1O 2017521286 PUGFFAYTAHKTHY-DTWKUNHWSA-N 259.327 0.753 10 10 CCCE C[C@H](N[C@@H](CO)CCCO)c1cc(O)ccc1O 2029923379 PLWLNHCEJZBQGP-VHSXEESVSA-N 255.314 0.882 10 10 CCCE N[C@@H](CCNC(=O)c1cccc(O)c1O)C1CC1 2029998873 DEXRDPMFWFTVBV-JTQLQIEISA-N 250.298 0.955 10 10 CCCE CN(C)C=C1SC(=S)N(N2C(=O)CCC2=O)C1=O 2040736776 ULNUIWZFNLDFRW-UHFFFAOYSA-N 285.350 0.314 10 10 CCCE COC[C@@H](N[C@@H](C)c1c(O)cccc1O)C(N)=O 2034942390 YXCFPUCVXMYTJP-JGVFFNPUSA-N 254.286 0.249 10 10 CCCE COc1ccc(N(C)[C@H](CN)c2cnn(C)n2)cc1 312096473 RUZGWQGDVOYIQH-CYBMUJFWSA-N 261.329 0.960 10 10 CCCE CS(=O)(=O)[C@@H]1CCCN(C(=O)Cc2ccc(N)cc2)C1 313070637 VJXQBKGNZGBCOW-CYBMUJFWSA-N 296.392 0.847 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3CC[C@@](O)(CO)C3)c(Cl)cc21 314016507 RAKIDYZPIBJAIA-YPMHNXCESA-N 297.742 0.225 10 10 CCCE NCc1ccc2c(c1)CCCN2CCS(N)(=O)=O 700899265 OIGAWKKJSSZJAL-UHFFFAOYSA-N 269.370 0.186 10 10 CCCE Nc1ccc(CC(=O)NCc2cc(C(=O)O)no2)cc1 704317390 GFCRFBXSOQHLIG-UHFFFAOYSA-N 275.264 0.814 10 10 CCCE NC[C@@H](CC(=O)NCCc1ccc(O)c(O)c1)C(F)F 2179961246 ACQWJNGJWWGUGC-SECBINFHSA-N 288.294 0.987 10 10 CCCE COc1ccc(CNC2CS(=O)(=O)C2)c(O)c1 379957522 BQJRBIMHHSBCHP-UHFFFAOYSA-N 257.311 0.287 10 10 CCCE CCN(C[C@@H](C)O)c1ccc2c(c1)N(C)C(=O)[C@H]2N 691415948 MVLMUGBTLBHNMU-RNCFNFMXSA-N 263.341 0.870 10 10 CCCE COc1ccc(N2CCN(C)C[C@H]2CO)c([N+](=O)[O-])c1 699472585 CFYPWQGYFGNFHE-JTQLQIEISA-N 281.312 0.716 10 10 CCCE CN(C)c1ccc(CNCCCCS(N)(=O)=O)cc1 394044981 VUCJPHDSOBXELN-UHFFFAOYSA-N 285.413 0.911 10 10 CCCE CN(Cc1ccc(N(C)C)cc1)C(=O)c1nn[nH]c1N 2174119198 OATFTIXAKVCRLA-UHFFFAOYSA-N 274.328 0.725 10 10 CCCE COc1ccc(O)c(CN2C[C@H]3CCO[C@]3(CN)C2)c1 2175181905 JNWNXNHXQXZLPR-IUODEOHRSA-N 278.352 0.950 10 10 CCCE C[C@@H](NC1CN([C@H](C)C(=O)O)C1)c1ccc(O)cc1O 2188303941 HIQAMQALVZLJKI-RKDXNWHRSA-N 280.324 0.906 10 10 CCCE CC[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)CCN1C 2188868352 PTUTXMIEQPZCPB-SNVBAGLBSA-N 280.324 0.970 10 10 CCCE C[C@@H](O)[C@@H]1CCCN1C[C@H](O)COc1ccc(N)cc1 2193586674 NZMSWJGSRHULMK-ZLDLUXBVSA-N 280.368 0.854 10 10 CCCE O=C(NC[C@]1(O)C[C@H]2CCC[C@H]21)c1cc(O)nc(O)c1 2197311840 GROSAOJHQXOWJJ-PJCOJXEDSA-N 278.308 0.774 10 10 CCCE NCc1ccc(N2CC[C@H]3OCC(=O)N[C@@H]3C2)c(Cl)c1 2185522702 RAUCDXNYTSWZGO-DGCLKSJQSA-N 295.770 0.892 10 10 CCCE C[S@@](=O)CCCCNC(=O)c1cccc(O)c1O 2047839238 RZPJDSPQKHUKEG-GOSISDBHSA-N 271.338 0.986 10 10 CCCE COc1cc(N)c(N2CC([S@@](C)=O)C2)cc1OC 2051891830 JXMGUJJVAHOGNN-GOSISDBHSA-N 270.354 0.853 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CCNC[C@@H]1C(F)(F)F 2186675446 FLRGNVOSAKJCDX-SSDOTTSWSA-N 291.229 0.469 10 10 CCCE CC1(C)[C@H](O)[C@H](O)CN1c1ccc(CN)c(F)c1 2060876209 UGTYAOOJNVYIGI-VXGBXAGGSA-N 254.305 0.605 10 10 CCCE COc1ccc(CNC2([C@@H](O)CO)CC2)c(O)c1 2069746327 XXGFCIYJLBRONG-LBPRGKRZSA-N 253.298 0.376 10 10 CCCE CCNCCS(=O)(=O)N[C@H](C)c1ccccc1O 2072489624 IAHLYFDABGOEHP-SNVBAGLBSA-N 272.370 0.982 10 10 CCCE CC1(C[S@](C)(=O)=NC(=O)c2cc(O)nc(O)c2)CNC1 2192780317 XTNPKXKGZICXCK-FQEVSTJZSA-N 299.352 0.340 10 10 CCCE O=C(O)[C@H]1CCO[C@H]1C(=O)NCc1ccccc1O 2100805154 HUAVXBYCAPCTQQ-GXSJLCMTSA-N 265.265 0.498 10 10 CCCE Cc1cc(CN)ccc1N1CC[C@@H](O)[C@@](C)(O)C1 2081719879 ANOFUHYGDDNUSB-KGLIPLIRSA-N 250.342 0.776 10 10 CCCE NC[C@H]1CC(F)(F)CN1C(=O)c1ccc(O)c(O)c1 2102803996 NBSIAHKFUQTBSW-MRVPVSSYSA-N 272.251 0.906 10 10 CCCE COc1cccc(O)c1CN1C[C@H](N)[C@H]2COC[C@H]21 2104441769 BIVQOLFIFNBZDT-GRYCIOLGSA-N 264.325 0.559 10 10 CCCE O=C(N[C@H]1CC[C@H]1C(=O)O)c1cccc(O)c1O 2085033099 DYKSJSJJEZTNEE-SVRRBLITSA-N 251.238 0.691 10 10 CCCE CC[C@@H]1CCNC[C@H]1NC(=O)c1cc(O)nc(O)c1 2107377653 JGPKECSOOKYJSY-PSASIEDQSA-N 265.313 0.611 10 10 CCCE Nc1ccc(NC(=O)CN2CC[C@H](O)[C@@H](F)C2)cc1 2088309094 REGDONYHJIPXSQ-RYUDHWBXSA-N 267.304 0.612 10 10 CCCE CN(C)c1ccc(CNS(=O)(=O)CCCCN)cc1 2089835082 YCAAQDKDBDCHLV-UHFFFAOYSA-N 285.413 0.911 10 10 CCCE C[C@H](O)c1ccc(N2C[C@H](N(C)C)[C@H](O)C2)c(F)c1 2089923941 RTSVPFZWFSSNKQ-QCZZGDTMSA-N 268.332 0.990 10 10 CCCE Nc1ccc(CC(=O)N2CC[C@@H]3[C@H](CO)[C@@H]3C2)cc1 2093135549 UDORLRXPMUYAEV-MJBXVCDLSA-N 260.337 0.898 10 10 CCCE O=C(O)[C@H]1C[C@@H](F)CN1C(=O)c1ccc(O)c(O)c1 2095598924 OULJOEBCRBGSBX-HTQZYQBOSA-N 269.228 0.735 10 10 CCCE NC(=O)NC1CC(NC(=O)c2ccc(O)c(O)c2)C1 2096569445 LVNLUQULDKVJGQ-UHFFFAOYSA-N 265.269 0.027 10 10 CCCE Cc1cc(N2C[C@@H]3OCCN(C)[C@H]3C2)ccc1CN 2097702834 KQECWWMLXVKBIT-GJZGRUSLSA-N 261.369 0.973 10 10 CCCE CCN(C(=O)c1ccc(O)c(O)c1)[C@H]1CCNC1=O 2114758443 GDWKWMLOHJGHFB-VIFPVBQESA-N 264.281 0.448 10 10 CCCE COc1cc(N2CC[C@@H]3C(=O)NC[C@@H]3C2)ccc1CO 2204550006 MDPMVLXHRGWADU-YPMHNXCESA-N 276.336 0.760 10 10 CCCE COc1ccc(N2CCO[C@H](CO)C2)c(C=O)c1 2220434102 YOHHEWLYLLKCKL-LBPRGKRZSA-N 251.282 0.705 10 10 CCCE CN1CCc2cc(N3C[C@@H]4C[C@H](C3)[C@H](O)[C@@H]4O)ccc21 2235125058 SHCZGKYTVCDGRJ-CRJCFHLZSA-N 274.364 0.857 10 10 CCCE C[C@H](O)c1ccc(N2C[C@@H](CO)C[C@@H](CO)C2)cc1O 2236633599 QPFYRHDIYXVXCC-SDDRHHMPSA-N 281.352 0.873 10 10 CCCE COc1ccc(N2C[C@H](CO)C[C@H]2CO)c(CN)c1 2227683989 PMECJHRXDRUHFG-PWSUYJOCSA-N 266.341 0.333 10 10 CCCE COc1ccc(N2CCS(=O)(=O)C[C@@H]2C)c(CN)c1 2227676828 WLXQQASIHFXUSB-JTQLQIEISA-N 284.381 0.777 10 10 CCCE COc1ccc(N(C)C2CS(=O)(=O)C2)c(CCN)c1 2227688721 UNNJVCTUGZPSHK-UHFFFAOYSA-N 284.381 0.430 10 10 CCCE O=C1Nc2cc(N3C[C@H]4COC[C@H]3C4)ccc2[C@H]1O 2271349911 JYJLQYZXOQQPOT-IYYTYJHQSA-N 260.293 0.897 10 10 CCCE O[C@@H]1CCc2cc(N3CC[C@@H](O)[C@H](O)CC3)ccc21 2269126754 ZGLINZANFNIHCU-RBSFLKMASA-N 263.337 0.988 10 10 CCCE O=S(=O)(CCO)CCNCc1cccc(F)c1O 2314169504 CISMJEZQDLDUFO-UHFFFAOYSA-N 277.317 0.028 10 10 CCCE CC[C@H](O)c1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)cc1 2332912553 AAAJWXPJCBSTJJ-FQUUOJAGSA-N 267.325 0.033 10 10 CCCE COc1cc(N2C(=O)[C@H]3COC[C@@H]3C2=O)ccc1N 2338358616 BYTAOMWNYDCJIS-IUCAKERBSA-N 262.265 0.413 10 10 CCCE Nc1ccc(OCCS(=O)(=O)N[C@H]2[C@@H]3CCO[C@@H]32)cc1 2355547943 WLIGYXADEIQGPI-AVGNSLFASA-N 298.364 0.354 10 10 CCCE CCN/C=C1\C(=O)NC(=O)N(Cc2ccccc2)C1=O 103770730 BUYFACZZYKHDOJ-DHZHZOJOSA-N 273.292 0.758 10 10 CCCE Nc1ccc(OCCC(=O)N[C@H]2C[C@@H]3CN[C@H]2C3)cc1 2357174807 MCKRQWAOWTVNMF-SWHYSGLUSA-N 275.352 0.904 10 10 CCCE C[C@H](CC(N)=S)NC(=O)c1cccc(O)c1O 126152160 VSVBVBYWMBYOJM-ZCFIWIBFSA-N 254.311 0.892 10 10 CCCE CC1(C)[C@H](O)C[C@H]1NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 128739447 WVXSYADNZQJRIT-ZWKOPEQDSA-N 294.351 0.243 10 10 CCCE CCS(=O)(=O)CCOC(=O)Cc1ccc(N)cc1 41098687 YWNIOXQDQQMNQM-UHFFFAOYSA-N 271.338 0.789 10 10 CCCE CCN1CN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1=O 190561384 HXSVRPQHHACHLL-GQCTYLIASA-N 276.292 0.759 10 10 CCCE NC[C@H](N)c1cc(C(=O)O)cc(Br)c1O 95713044 DAHBWSFPIYVIEB-ZETCQYMHSA-N 275.102 0.811 10 10 CCCE CN1CCc2cc([C@H](N)[C@@H](O)c3cnn(C)n3)ccc21 2163145060 PHMJOCRQCHGHIW-KBPBESRZSA-N 273.340 0.541 10 10 CCCE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CCC(=O)N1 808092911 BJNSVIXMDYRVFX-SECBINFHSA-N 283.324 0.773 10 10 CCCE CN(CC(=O)Nc1ccc(N)cc1)[C@H]1C[C@@H](C(N)=O)C1 703529791 CGOYTUKZQHNQQR-WVSHTKLVSA-N 276.340 0.403 10 10 CCCE COc1cc(C(=O)OCC(=O)C(C)=O)cc2c1OCCO2 808496749 FYMHOMRHGAPXIN-UHFFFAOYSA-N 294.259 0.781 10 10 CCCE CO[C@@H]1C[C@H](O)CN(c2ccc3c(c2)NC(=O)[C@@H]3O)C1 2165328038 WETINGIHOOMOEB-OPQQBVKSSA-N 278.308 0.258 10 10 CCCE Nc1ccc(NC(=O)CN2CC[C@@H](OCCO)C2)cc1 2165427088 MGXPNJRPVVJRSG-CYBMUJFWSA-N 279.340 0.291 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3CC(CC(N)=O)C3)ccc21 723183573 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0.895 10 10 CCCE CNCc1ccc(N2CC[C@H]2[C@H](O)CO)cc1Cl 2258343684 DEVPOUDLLGMGSX-QWHCGFSZSA-N 270.760 0.991 10 10 CCCE Nc1ccc(NC(=O)N[C@H]2COC3(COC3)C2)cc1 2270767364 HGBMBGOQSCYYDM-LLVKDONJSA-N 263.297 0.948 10 10 CCCE COc1ccc(=NC(=O)c2cc(O)c(O)c(O)c2)[nH]n1 2295292965 XVMPFSGEEOWKIJ-UHFFFAOYSA-N 277.236 0.276 10 10 CCCE COc1cccc(O)c1CN1C[C@H](C)OC2(CNC2)C1 2288590936 QJJJLUVUJRTHDG-NSHDSACASA-N 278.352 0.964 10 10 CCCE CCc1nc(NN(C)S(C)(=O)=O)sc1C(=O)O 2301524544 BVSPSKPGAUXJBB-UHFFFAOYSA-N 279.343 0.622 10 10 CCCE O=C(N[C@H]1CC[C@@H]2C[C@]12CO)c1cccc(O)c1O 2331769119 AOSUQCCUNGVNEH-FDLBOYPASA-N 263.293 0.989 10 10 CCCE C[C@H](N)c1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CF)cc1O 2333235324 IEDUKZOLBRAJNB-SWMFJSFKSA-N 270.304 0.292 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)[C@H]2C[C@H]3CNC[C@H](C3)C2)C1 2334594826 OZIBQLXNOAGADC-XXCSZPINSA-N 264.369 0.888 10 10 CCCE CO[C@@H](CN)CNC(=O)CCOc1ccc(N)cc1 2339877747 DEUYVYWDBWFWCO-LBPRGKRZSA-N 267.329 0.128 10 10 CCCE CN(C)CCN[C@@H](C(N)=O)c1ccc2c(c1)CCCN2C 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CN1NN=C2C1=NCC[C@H]2C(=O)NCc1ccccc1O 816912064 JBEWGJUBJYPDCP-SNVBAGLBSA-N 287.323 0.233 10 10 CCCE Cn1cc(NC(=O)c2cccc(O)c2O)c(C(=O)O)n1 725204713 ABWHKDSYLJWSGY-UHFFFAOYSA-N 277.236 0.782 10 10 CCCE C[C@@]1(C(=O)NCc2ccc(O)cc2O)CCC(=O)NC1 910946787 UWHFHYMRQKJJMX-CQSZACIVSA-N 278.308 0.630 10 10 CCCE COC(=O)C1(N)CC(c2ccc(O)c(O)c2O)C1 1952553017 XXIPUCTTYMJZIM-UHFFFAOYSA-N 253.254 0.551 10 10 CCCE CN(C)Cc1cc([C@H]2CCN[C@@H]2CO)ccc1O 1952537864 JBTOSUITFOGVAJ-CHWSQXEVSA-N 250.342 0.892 10 10 CCCE COc1ccc(N2CC[C@@H](NC(=O)CO)C2)cc1 855234209 VEWUZGIVPVFFQH-SNVBAGLBSA-N 250.298 0.382 10 10 CCCE Nc1ccc(CCNC(=O)[C@]2(N)CC2(F)F)cc1 867962610 DGYQRJHMGRPVGD-LLVKDONJSA-N 255.268 0.664 10 10 CCCE CCCC[C@H](N)C(=O)NCc1ccc(O)c(O)c1O 83497192 FUIBJXJOQJJDKK-VIFPVBQESA-N 268.313 0.937 10 10 CCCE COC(=O)[C@@H](O)CCNCc1cccc(OC)c1O 83513185 IHNGILHLWYPQKG-JTQLQIEISA-N 269.297 0.414 10 10 CCCE COc1cc2c(cc1OC)N(C)C[C@@H](C(=O)O)[C@@H]2O 84169003 IHTXZZNGJAMFSN-PRHODGIISA-N 267.281 0.888 10 10 CCCE 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0.891 10 10 CCCE CCCNCc1ccc(N2CC(C(N)=O)C2)c(C#N)c1 382078416 MHHVIDPBLLDVPK-UHFFFAOYSA-N 272.352 0.979 10 10 CCCE CC[C@@H]1[C@H](CO)CCN1C(=O)c1cc(O)nc(O)c1 385917795 SHOKHPCXSDNDJZ-WCBMZHEXSA-N 266.297 0.726 10 10 CCCE CN(C(=O)CN1CC2(COC2)C1)c1ccc(N)cc1 697115668 SJJCIXLYYKYHBW-UHFFFAOYSA-N 261.325 0.564 10 10 CCCE NCc1ccc(N2CCN(C(N)=O)CC2)cc1F 721769062 NFTQDIOURZCMIA-UHFFFAOYSA-N 252.293 0.485 10 10 CCCE CNC(=O)[C@@H]1CCN(c2cc(OC)c(OC)cc2N)C1 398478249 UTYFDCMKPHDCHP-SECBINFHSA-N 279.340 0.858 10 10 CCCE CN(C)c1ccc(CNS(=O)(=O)C[C@H]2CC[C@H]2N)cc1 2178212760 JTDREHCTLNYTSZ-TZMCWYRMSA-N 297.424 0.909 10 10 CCCE C[C@H](C(=O)Nc1ccc(N)cc1)N1C[C@H](F)[C@@H](CO)C1 2177137786 PRFXWIOYKYPCTO-BREBYQMCSA-N 281.331 0.858 10 10 CCCE Nc1ccc(OCc2cn(Cc3nc[nH]n3)nn2)cc1 2179338081 FDMVESYCVKVASX-UHFFFAOYSA-N 271.284 0.606 10 10 CCCE O=C(N[C@@H]1CN[C@H]2CCCC[C@H]21)c1cc(O)nc(O)c1 2179451711 SZLUOPSFJHCRIR-OUAUKWLOSA-N 277.324 0.753 10 10 CCCE C[C@@]1(O)CCN(c2ccc(CO)cc2[N+](=O)[O-])C[C@H]1O 2197969713 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CC1(C)[C@H](CN)CCN1C(=O)c1cc(O)nc(O)c1 2106909819 ZBLIHAFWRPJBGE-VIFPVBQESA-N 265.313 0.692 10 10 CCCE CO[C@H]1COC[C@@H]1OC(=O)COc1ccc(N)cc1 2090598955 KARFFOZPFWEABX-RYUDHWBXSA-N 267.281 0.605 10 10 CCCE Nc1ccc(OC[C@H](O)CN2CC[C@@H]3COC[C@H]32)cc1 2198567332 CGNCJLMEKQWCBR-UXIGCNINSA-N 278.352 0.729 10 10 CCCE CSc1ncc(CNCC(C)(CO)CO)s1 2208537111 KJSGURVZZQWXSU-UHFFFAOYSA-N 262.400 0.946 10 10 CCCE COc1ccc(N2CCN(OC)CC2)c(CO)c1 2220426606 FYNREXXIRKJBQM-UHFFFAOYSA-N 252.314 0.871 10 10 CCCE C[C@@]1(CO)C[C@@H](O)CN1c1ccc2c(c1)OCCO2 2226771096 UTOHKHQIUFTRRE-RISCZKNCSA-N 265.309 0.780 10 10 CCCE OC[C@@H]1C[C@@H](O)CCN1c1ccc2c(c1)OCCO2 2226779520 HQRRCTYOQIKBLF-RYUDHWBXSA-N 265.309 0.780 10 10 CCCE CNCc1cc(OC)ccc1N1CCNC(=O)CC1 2227674595 CJWYQVXHWMYXNO-UHFFFAOYSA-N 263.341 0.741 10 10 CCCE C[C@H]1C[C@H](CC(=O)O)CN1C(=O)c1cc(O)nc(O)c1 2285425499 ZQYPWZOFZSPOGG-JGVFFNPUSA-N 280.280 0.818 10 10 CCCE CN1CCOC[C@@H]1COC(=O)Cc1ccc(N)cc1 2267898044 XIEILGJFAMVAPI-CYBMUJFWSA-N 264.325 0.685 10 10 CCCE COc1ccc(N2CC[C@H](O)[C@H](O)CC2)c(CN)c1 2269118683 LCKMAQHHWYKZDF-OKILXGFUSA-N 266.341 0.476 10 10 CCCE COC[C@@H]1[C@H](O)[C@@H](O)CN1c1ccc([C@H](C)O)c(C)c1 2285148148 AGRZTGRKTGFQAP-PUPMMZHASA-N 281.352 0.605 10 10 CCCE COc1ccc(N2C[C@H]3OCC[C@]3(CO)C2)c(CN)c1 2296427817 LWLBXUXFSLDVMI-HUUCEWRRSA-N 278.352 0.742 10 10 CCCE COc1cc(C)c(N2C[C@H](O)[C@H](O)[C@H](CO)C2)cc1C 2289357340 GDIBJFADQZKHGT-CORIIIEPSA-N 281.352 0.462 10 10 CCCE CN(C(=O)c1cc(O)c(O)c(O)c1)[C@H]1CNCC1(C)C 2290011705 KSQMXANAXZSHHB-NSHDSACASA-N 280.324 0.873 10 10 CCCE C[C@@H](O)c1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CF)cc1 2311995368 IHLQQPKXFCRCQB-STRQVWJDSA-N 255.289 0.620 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCSC1 2320297779 YJEYUIOULZHGEE-VIFPVBQESA-N 268.338 0.501 10 10 CCCE N[C@@H]1CCc2cc(N3C[C@@H](O)[C@@H]4COC[C@@H]43)ccc21 2331551872 RYPBCNXZNNVIDP-APIJFGDWSA-N 260.337 0.829 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CC[C@H]2[C@H](CO)[C@H]2C1 2333123324 PZQMGADRLRMFCV-VWYCJHECSA-N 263.293 0.798 10 10 CCCE CN(C(=O)[C@@H]1COC[C@@H]1C(=O)O)c1ccc(N)cc1 2338415667 GIWVDSATIRLKJC-MNOVXSKESA-N 264.281 0.579 10 10 CCCE O=C(CN1CC[C@@H](CCO)C1)c1ccc(O)c(O)c1 123730805 QVWHCEGZSBPKJG-JTQLQIEISA-N 265.309 0.985 10 10 CCCE C[C@@H](C(=O)NC1CC1)N(CC(N)=O)Cc1ccc(N)cc1 35366657 RQNUETHUUINOOF-JTQLQIEISA-N 290.367 0.223 10 10 CCCE CN1CCN(C)[C@H]([C@H](NN)c2ccc(N(C)C)cc2)C1 2163130204 FTLWJSMUVCSTDR-LSDHHAIUSA-N 277.416 0.503 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3CC[C@@H](OCCO)C3)ccc21 2165427691 SJYZCUQXAWZBTF-ZWNOBZJWSA-N 277.324 0.226 10 10 CCCE CC(=O)C(=O)COC(=O)c1c(O)cc(F)cc1F 808508343 BKPCDEPXGNSLFX-UHFFFAOYSA-N 258.176 0.985 10 10 CCCE CNC(=O)N1CCN(c2ccc(CO)cc2F)CC1 721688679 ROMCMXHQGDTKBM-UHFFFAOYSA-N 267.304 0.779 10 10 CCCE Cn1nc(C(=O)Nc2ccc(O)cc2C(=O)O)cc1N 725133116 OLDVYTCIZMQIEK-UHFFFAOYSA-N 276.252 0.658 10 10 CCCE COc1ccc(N2CC[C@H](NC(=O)CCN)C2)cc1 851639555 HKZNYHHBBITKDL-NSHDSACASA-N 263.341 0.739 10 10 CCCE Cc1cccc([C@H](N)C(=O)NCCCN(C)C)c1O 83482349 HYLSLAFKTHKZOE-LBPRGKRZSA-N 265.357 0.768 10 10 CCCE CC(C)(O)c1nnc([C@H](N)c2cc(O)ccc2O)o1 83480927 UMWJMZURDRURPD-SECBINFHSA-N 265.269 0.756 10 10 CCCE COC1=C(C(=O)O)NC(=O)N[C@H]1c1cccc(OC)c1O 76255695 ZIUQQHQGKBPBNN-QMMMGPOBSA-N 294.263 0.697 10 10 CCCE CN1C[C@H](C(=O)NCCOc2ccc(N)cc2)CC1=O 700977264 JBCRZEQGRUESOS-SNVBAGLBSA-N 277.324 0.242 10 10 CCCE O=C(NCCOCCF)[C@@H]1CNc2ccccc2N1 702586215 LQCNJHSPEPEIEC-LBPRGKRZSA-N 267.304 0.995 10 10 CCCE CCCOc1cc(N2CC(NS(C)(=O)=O)C2)ccc1N 703006991 CRXAVHXLSIKHQB-UHFFFAOYSA-N 299.396 0.795 10 10 CCCE OCCN[C@H]1CCCN(Cc2ccc(O)c(O)c2)C1 708626298 GCWFPQNDCUKZLU-LBPRGKRZSA-N 266.341 0.644 10 10 CCCE CC(=O)C[C@@H](C)CNC(=O)c1cc(O)nc(O)c1 715920709 NDWBQPSHGWWJID-SSDOTTSWSA-N 252.270 0.838 10 10 CCCE CCC(=O)N1CC[C@H](C(=O)NCc2c(O)cccc2O)C1 1304053089 CBISEVRIOUBMIJ-JTQLQIEISA-N 292.335 0.973 10 10 CCCE [N-]=[N+]=NCC1(CNC(=O)[C@@H]2[C@@H]3CS(=O)(=O)C[C@@H]32)CC1 2117936420 PNTAZGWTLKJMHZ-AYMMMOKOSA-N 284.341 0.484 10 10 CCCE Nc1ccc(NC(=O)N2C[C@H]3NC(=O)O[C@@H]3C2)cc1 2120414418 AVACHPOYYUXSOB-NXEZZACHSA-N 262.269 0.593 10 10 CCCE CN1C[C@H]2C[C@H]1CN2c1ccc(CO)cc1[N+](=O)[O-] 2131067038 PKQAKYBWNGBGJG-WDEREUQCSA-N 263.297 0.980 10 10 CCCE C[C@@H]1C[C@H](C(=O)O)N1C(=O)c1cc(O)c(O)c(O)c1 2132348921 VOBZJMRMUWGPHR-IYSWYEEDSA-N 267.237 0.491 10 10 CCCE CC(C)OC(=O)CNC(=O)c1cc(O)c(O)c(O)c1 2132348827 SZDMJHLSVKPBTD-UHFFFAOYSA-N 269.253 0.485 10 10 CCCE Nc1ccc(OCC(=O)N2C[C@@H]3C[C@H]3[C@H]2CO)cc1 1905545590 BPEMMPQLSQSWBT-ZWKOPEQDSA-N 262.309 0.487 10 10 CCCE Cn1nc(C(=O)N2CCC[C@H](CN=[N+]=[N-])C2)ccc1=O 1912162009 QGPKYDFWJUUEDE-SECBINFHSA-N 276.300 0.943 10 10 CCCE COC(=O)CCS(=O)(=O)N(C)CCCN=[N+]=[N-] 1912184957 KIBSSSDURGTDMX-UHFFFAOYSA-N 264.307 0.512 10 10 CCCE CN1C[C@@H]2CC[C@@](NCCN=[N+]=[N-])(C(=O)O)[C@H]2C1 1912189538 WWFREYYNGOJJBQ-QXEWZRGKSA-N 253.306 0.681 10 10 CCCE CS(=O)(=O)CS(=O)(=O)N1CCC(CN=[N+]=[N-])CC1 1912190108 ZDMVAVNYLWIEQL-UHFFFAOYSA-N 296.374 0.341 10 10 CCCE [N-]=[N+]=N[C@@H]1CCCN(C[C@@H]2CCS(=O)(=O)N2)C1 1912160896 BSJKPVRZJMJQNY-BDAKNGLRSA-N 259.335 0.453 10 10 CCCE CC(=O)N1CCN(C(=O)CN2CC[C@@H](N=[N+]=[N-])C2)CC1 1912207108 JORNWCCLIAZFQI-LLVKDONJSA-N 280.332 0.062 10 10 CCCE CC1(C)CN(c2ccc3c(c2)OCO3)[C@H](CO)CN1 217093180 QZESNQQMJBAQSF-NSHDSACASA-N 264.325 0.964 10 10 CCCE CCOCCOC1CN(C(=O)Cc2ccc(O)c(O)c2)C1 1637405162 OFIFKCUTQPKENA-UHFFFAOYSA-N 295.335 0.904 10 10 CCCE Cc1nnc(NNC(=S)Nc2ccc(F)cc2)[nH]c1=O 11045714 JGYKNVCFSVCFQY-UHFFFAOYSA-N 294.315 0.926 10 10 CCCE Oc1cc(F)ccc1CN1CC(N2CCNCC2)C1 2139756108 OSUSJIOZODDJQO-UHFFFAOYSA-N 265.332 0.621 10 10 CCCE C[C@H]1CCN(c2ccc3c(c2)OCO3)[C@@H](CO)CN1 251798315 XRQHUKPQLQYLQL-CMPLNLGQSA-N 264.325 0.964 10 10 CCCE Nc1ccc(NC(=O)NCC[C@H]2COC[C@H]2O)cc1 1876165302 MCTRBICNKOCOSE-JOYOIKCWSA-N 265.313 0.788 10 10 CCCE C[C@H](NC(=O)[C@@H]1COC[C@@H](C)N1)c1ccccc1O 1877585369 KOHMNPQMLNWFDE-SCVCMEIPSA-N 264.325 0.946 10 10 CCCE COC[C@](C)(CCO)NC(=O)Cc1ccc(O)c(O)c1 1963462607 NZEWVXNGAJULFJ-AWEZNQCLSA-N 283.324 0.544 10 10 CCCE COc1ccc([C@H](C)NCCNS(C)(=O)=O)c(O)c1 20203777 KSUUHESYCQLZME-VIFPVBQESA-N 288.369 0.601 10 10 CCCE OC[C@@H]1CO[C@@H](CNCc2cc3c(cc2O)OCO3)C1 1967895151 KLPQACSZDNWLIU-MWLCHTKSSA-N 281.308 0.608 10 10 CCCE Nc1ccc(CCC(=O)OCCN2CCNC2=O)cc1 41101648 DVONWINTVWENNO-UHFFFAOYSA-N 277.324 0.770 10 10 CCCE CN[C@H](c1ncnn1C)[C@H](O)c1ccc(N(C)C)cc1 2148457243 FITJJJWZKOYLOX-QWHCGFSZSA-N 275.356 0.875 10 10 CCCE Nc1ccc(OCCC(=O)N[C@@H]2COC[C@H]2CO)cc1 2146498293 LCJAATJAKIVRJI-ZWNOBZJWSA-N 280.324 0.161 10 10 CCCE CNCc1ccc(N2CCN(CCO)CC2)c(F)c1 36231674 GLKWTFLIAJJEFZ-UHFFFAOYSA-N 267.348 0.659 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC[C@H](O)C3(CC3)C2)cc1 2149572782 BXJSUPNYWFDGQU-ZDUSSCGKSA-N 296.392 0.945 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1C[C@@H](O)CC2(CCC2)C1 2151348123 RIRKXCNLNQWUKB-JTQLQIEISA-N 278.308 0.870 10 10 CCCE CCc1c(C(=O)NCCN=[N+]=[N-])cnc2ncnn12 701296097 BAASBDJUHMOAPZ-UHFFFAOYSA-N 260.261 0.727 10 10 CCCE COc1cc(N)c(N2C[C@H](F)[C@H](O)C2)cc1OC 2031871838 OFPLVTDZRJQWQI-OIBJUYFYSA-N 256.277 0.805 10 10 CCCE C[C@]1(CO)CCN1C(=O)COc1ccc(N)cc1 2036000967 BHFQQBKATNNTGM-CYBMUJFWSA-N 250.298 0.631 10 10 CCCE CO[C@@H]1COC[C@@H]1CNCc1ccc(O)cc1O 2036607704 IJYIEWOTABPUQP-GXFFZTMASA-N 253.298 0.849 10 10 CCCE O=c1c2c(ccn1C[C@@H](O)C(F)(F)F)CCNC2 2038073485 CFHKJYANVWZIPO-SECBINFHSA-N 262.231 0.417 10 10 CCCE CN1CCOC[C@H]1CNC(=O)Cc1ccc(N)cc1 700237937 PXKJFLDOWJYNQK-CYBMUJFWSA-N 263.341 0.258 10 10 CCCE [N-]=[N+]=NCCCCN1CC[C@H]2C(=O)NC(=O)[C@@H]2C1 2040925156 NSCDTRLATCTJJG-RKDXNWHRSA-N 251.290 0.671 10 10 CCCE CO[C@]1(CO)CCN(C(=O)c2cccc(O)c2O)C1 401833253 HCXZTEPGLNMHGQ-CYBMUJFWSA-N 267.281 0.321 10 10 CCCE C[C@@](N)(CO)c1nc(-c2ccc(O)c(O)c2)no1 313498889 CBYCDXAPWPVCHJ-LLVKDONJSA-N 251.242 0.314 10 10 CCCE Nc1ccc(CCC(=O)N2CCC[C@@](O)(CO)C2)cc1 313651827 SEZOTYPCCXEUNE-HNNXBMFYSA-N 278.352 0.547 10 10 CCCE CCN1CCN(c2ccc3c(c2)NC(=O)[C@@H]3O)CC1=O 2158780118 CHBVVVWVRONATN-CYBMUJFWSA-N 275.308 0.341 10 10 CCCE CC[C@H](C)[C@@H](NC(N)=O)C(=O)NCc1ccc(N)cc1 700734905 BTQHHNAYVYFQKF-JOYOIKCWSA-N 278.356 0.968 10 10 CCCE CN1C[C@@H]2C[C@H](C1)CN2c1ccc2c(c1)NC(=O)[C@H]2O 2160684523 ZGLBRBVDRCPBDX-PUYPPJJSSA-N 273.336 0.812 10 10 CCCE NC1(C(=O)C(=O)C[C@H]2C[C@H](N)C2)CC(C(F)F)C1 2049781724 YAWGVVQUFAYZDU-WVWGGYHCSA-N 260.284 0.625 10 10 CCCE CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](N)C1COC1 2161176006 IWRNXWRJQFHTNT-CQSZACIVSA-N 277.368 0.685 10 10 CCCE CC1CC(=O)N(CC(=O)Nc2ccc(N)cc2)C(=O)C1 93356413 GCOQKSHIOKOAEJ-UHFFFAOYSA-N 275.308 0.992 10 10 CCCE CS(=O)(=O)CCNCc1ccc(F)c(F)c1O 703272626 HZKXIQVRDKENSA-UHFFFAOYSA-N 265.281 0.805 10 10 CCCE C[C@]1(CO)C[C@H](O)CN1C(=O)Cc1ccc(N)cc1 704691607 TXULZVCNGDOMQL-GXTWGEPZSA-N 264.325 0.156 10 10 CCCE CN1CCN(C(=O)Cc2ccc(N)cc2)C[C@H]1C(=O)O 686101942 WBXOXCJEBVTTQY-LBPRGKRZSA-N 277.324 0.039 10 10 CCCE C[C@]1(NCc2ccc(O)c(O)c2O)CCC(=O)NC1=O 2172845944 JKIIMHKMXXJEPM-ZDUSSCGKSA-N 280.280 0.088 10 10 CCCE CO[C@H]1CS(=O)(=O)C[C@H]1N(C)c1ccc([C@H](C)N)cc1 711288937 VAUGUXZIUIMKBD-GDLCADMTSA-N 298.408 0.955 10 10 CCCE NC[C@H]1C[C@H](C(=O)NCc2ccccc2O)CO1 713797395 VFHYIHFUFNQPGV-WDEREUQCSA-N 250.298 0.372 10 10 CCCE O=C(O)[C@H]1CN(C(=O)c2cccc(O)c2O)CCS1 699257877 IQOWDFFDCGASNW-SECBINFHSA-N 283.305 0.740 10 10 CCCE CCCC(=O)NCCNS(=O)(=O)Cc1ccc(N)cc1 393045679 WPORCOYWZSZZMK-UHFFFAOYSA-N 299.396 0.605 10 10 CCCE NC(=O)N1CC[C@@H](NCc2cccc(O)c2O)C1 393340594 WZNNBQAHCHZVJT-SECBINFHSA-N 251.286 0.340 10 10 CCCE C[C@H]1C[C@H](NC(=O)[C@@H](N)Cc2ccc(O)c(O)c2)CS1 397849930 JLRKCIIMUXGJPO-LSJOCFKGSA-N 296.392 0.978 10 10 CCCE C[C@@H]1CC[C@@H](O)CN1c1ccc2c(c1)NC(=O)[C@H]2N 399493890 UQDDSGGTDLSDRG-JQEORGNBSA-N 261.325 0.988 10 10 CCCE CO[C@@H](CNC(=O)c1cnn2c(O)cc(C)nc12)C1CC1 2064628118 GSICBMDTVIWEEM-NSHDSACASA-N 290.323 0.898 10 10 CCCE O=C(N[C@@]12CC[C@@H](C1)[C@H](O)[C@H]2O)c1ccc(O)c(O)c1 2176909457 VDTLANDANZQUGJ-VVHPZPEWSA-N 279.292 0.102 10 10 CCCE CNC[C@@H](O)CN(C)c1cc(OC)c(OC)c(OC)c1 2181952835 UXZPISMTRMAUCO-LLVKDONJSA-N 284.356 0.729 10 10 CCCE C[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)C[C@H]1N(C)C 2188868371 QGRVWBRIVWFCNN-PSASIEDQSA-N 280.324 0.826 10 10 CCCE Nc1cc2c(cc1N1C[C@H]3COCC[C@@H]31)NC(=O)CO2 2193273983 KMJXZWZOCSKRBA-KWQFWETISA-N 275.308 0.825 10 10 CCCE CN(C(=O)COc1ccc(N)cc1)[C@@H]1CCC(=O)NC1 2183458506 PCLUWBQFKMTRAE-LLVKDONJSA-N 277.324 0.385 10 10 CCCE O=C(O)[C@H](NCc1ccc(O)cc1O)C1COC1 2042972690 PXVQZBIVNUJYQL-LLVKDONJSA-N 253.254 0.287 10 10 CCCE C[C@H](O)c1ccc(N2C[C@@H](O)C[C@H](O)C2)cc1O 2043181145 DEIRDUKERXSEKP-LSJOCFKGSA-N 253.298 0.377 10 10 CCCE Nc1ccc(O)c(CN2CC[C@@H]3OCC(=O)N[C@@H]3C2)c1 2185519894 APMKWKKTUPPACW-YPMHNXCESA-N 277.324 0.064 10 10 CCCE C[C@H](N)c1ccc(N2CC[C@H]3OCC(=O)N[C@H]3C2)cc1 2185521163 HMIBCUJCFUPRCY-LEWSCRJBSA-N 275.352 0.800 10 10 CCCE O=C1CN(c2ccc(CO)c(Cl)c2)C[C@H]2COCCN12 2185858722 QVBQZRKXPOTWBV-LBPRGKRZSA-N 296.754 0.880 10 10 CCCE COC(=O)C(C)(C)NC(=O)c1ccc(O)c(O)c1 2054395540 HRIURIQPGAYWHE-UHFFFAOYSA-N 253.254 0.779 10 10 CCCE Nc1ccc(OCC(=O)N2CC[C@H]3NCC[C@@H]3C2)cc1 2191718961 DGMSJCXPHLDELP-BXUZGUMPSA-N 275.352 0.858 10 10 CCCE N[C@@H]1CCN(Cc2ccc(O)c(O)c2)C[C@H]1CO 2058543721 UNQMPBPDULNGHA-WDEREUQCSA-N 252.314 0.239 10 10 CCCE Cc1cccc(O)c1CN1CC[C@H](CO)[C@@H](N)C1 2058512072 FSXJIGFSRYAITH-YPMHNXCESA-N 250.342 0.842 10 10 CCCE CC1(C)[C@H](O)[C@@H](O)CN1c1ccc(CN)cc1F 2060876947 YFFQYUFEPPHZNG-NWDGAFQWSA-N 254.305 0.605 10 10 CCCE C[C@@H](CNC(=O)c1cc(O)c(O)c(O)c1)C(=O)O 2068579670 YNAJIHJLKHGYFN-YFKPBYRVSA-N 255.226 0.254 10 10 CCCE CCN(CCOC)C(=O)c1cc(O)c(O)c(O)c1 2068565632 DHHPVAZWBHSGDR-UHFFFAOYSA-N 255.270 0.912 10 10 CCCE NC[C@H]1C[C@H]1CNC(=O)c1cc(O)c(O)c(O)c1 2068615210 MNNFGZQGVIYZPE-SFYZADRCSA-N 252.270 0.128 10 10 CCCE CCOCCNC(=O)NCc1cc(N)ccc1O 2071819664 RTRFNHVQTLMUIP-UHFFFAOYSA-N 253.302 0.810 10 10 CCCE NCc1ccc(N2CCO[C@@H]3COC[C@H]32)c(F)c1 2072512139 BCEMVNTXOMSQLX-CHWSQXEVSA-N 252.289 0.888 10 10 CCCE C[C@H](NC(=O)Cc1ccc(O)c(O)c1)C(C)(C)N 2076541086 YYMLWDFGYOWJFL-QMMMGPOBSA-N 252.314 0.882 10 10 CCCE C[C@H]1CCNC(=O)[C@H]1CNCc1ccc(O)c(O)c1 2103042663 WHDVOLGQXVFVGV-ONGXEEELSA-N 264.325 0.960 10 10 CCCE COC[C@@H]1CNCCN1Cc1c(O)cccc1OC 2104436477 AHYPUMWKXYQQMC-NSHDSACASA-N 266.341 0.821 10 10 CCCE CNC(=O)OCCNS(=O)(=O)Cc1ccc(N)cc1 2104897667 YXLCIYSDVNWGCU-UHFFFAOYSA-N 287.341 0.044 10 10 CCCE Nc1cc2c(cc1N1CC=C[C@@H](O)C1)CCC(=O)N2 2108787387 FWLJAYCZTJLYGV-SNVBAGLBSA-N 259.309 0.891 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@H]2CC[C@@H](CO)C2)cc1 2090019961 YEIQGMRMNBGLMV-DGCLKSJQSA-N 284.381 0.849 10 10 CCCE Nc1ccc(O)c(CN2CCN(C3CC3)C(=O)C2)c1 2114172295 BFTJQWXLWMEKIV-UHFFFAOYSA-N 261.325 0.781 10 10 CCCE CNCc1ccc(N(C)[C@@H]2CC(=O)NC2=O)cc1OC 2204554072 LCDZPQXEGUATCN-LLVKDONJSA-N 277.324 0.266 10 10 CCCE Cc1cccc(CNC(=O)[C@@]2(N)C[C@H](O)C2(C)C)c1O 2204623360 JVXQJNBCUVIAOO-NHYWBVRUSA-N 278.352 0.805 10 10 CCCE CC[C@@H](COc1nnc(=N)[nH]n1)NC(=O)OC(C)(C)C 2209171415 KDVZHLJHBQIKQW-ZETCQYMHSA-N 284.320 0.361 10 10 CCCE OCC1(CO)CCN1c1ccc2c(c1)OCCO2 2219602519 OSEGZJFCFPNTTG-UHFFFAOYSA-N 251.282 0.391 10 10 CCCE COc1ccc(N(C)[C@@H]2COC[C@H]2O)c(CN)c1 2220409446 OSFNBSDBFCPFHX-CHWSQXEVSA-N 252.314 0.350 10 10 CCCE COc1ccc(CN2CCN(CCCN)CC2)c(O)c1 2234451252 PHNJCQMMZGCGHR-UHFFFAOYSA-N 279.384 0.867 10 10 CCCE COc1cc(N2C[C@H](O)C[C@H]2CO)cc(OC)c1OC 2235133062 YFTSAZRMTAUFLI-WDEREUQCSA-N 283.324 0.644 10 10 CCCE COc1ccc(N2CCN(S(C)(=O)=O)CC2)c(CN)c1 2235966068 MWSRGXKWPDCASF-UHFFFAOYSA-N 299.396 0.236 10 10 CCCE COc1ccc(N2CCC[C@H](CO)[C@@H]2CO)c(CO)c1 2236000390 UOVJSTXTKJFUAY-ABAIWWIYSA-N 281.352 0.757 10 10 CCCE CC(C)Oc1ccc(N2CC[C@@](O)(C(N)=O)C2)cc1 2226760914 ZDKRMMXRKJQZSV-AWEZNQCLSA-N 264.325 0.900 10 10 CCCE CN(C(=O)c1c[nH]nc1CCN)c1cncc(Cl)n1 2227024961 CKBXMHKATFSVNY-UHFFFAOYSA-N 280.719 0.631 10 10 CCCE NC(=O)CN(Cc1ccc(N)cc1)c1ncncc1F 2238043449 AHJRCBRHSQHSSN-UHFFFAOYSA-N 275.287 0.690 10 10 CCCE CN(C)S(=O)(=O)[C@H]1CCN(CCCN=[N+]=[N-])C1 2246461512 BSYXVXMLVNLGPO-VIFPVBQESA-N 261.351 0.653 10 10 CCCE Cc1nn(C)cc1[C@@](C)(NCCN=[N+]=[N-])C(=O)O 2258583083 ODLJSKJMTSENMQ-SNVBAGLBSA-N 252.278 0.928 10 10 CCCE CNC1(C(N)=O)CN(c2ccc(OC)c(C)c2OC)C1 2295434567 ISCJDOIYZBXAQE-UHFFFAOYSA-N 279.340 0.276 10 10 CCCE CNC(=O)[C@H]1CNCCN1c1ccc(OC(F)F)cc1 2295957579 LSNJYNMIPWGPMC-LLVKDONJSA-N 285.294 0.812 10 10 CCCE CCN(CCN=[N+]=[N-])C(=O)N[C@H]1CCS(=O)(=O)C1 2315991180 VGBIFWKUGAJWBD-QMMMGPOBSA-N 275.334 0.515 10 10 CCCE C[C@@H](O)c1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CF)c(F)c1 2333233669 IKOIOGGGODEOPQ-YAUNCSCZSA-N 273.279 0.759 10 10 CCCE CCCNC(=O)CS(=O)(=O)Cc1ccc(N)cc1 58240428 UQPZCGUWDHSPED-UHFFFAOYSA-N 270.354 0.710 10 10 CCCE CN(C(=O)CN1CCn2ccnc2C1)c1ccc(N)cc1 62245538 PLDDGIBEDITUDV-UHFFFAOYSA-N 285.351 0.944 10 10 CCCE CN(C)C[C@@H]1CN(c2ccc3c(c2)OCO3)CCN1 216988456 QOKNJMYPSOKZQP-LLVKDONJSA-N 263.341 0.755 10 10 CCCE CCCN(Cc1ccc(N)cc1)c1n[nH]c(=O)[nH]c1=O 37672268 RJCGABWSDIHRBE-UHFFFAOYSA-N 275.312 0.457 10 10 CCCE COCCOC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 48639130 KFOKEKJTXZIWEL-VIFPVBQESA-N 255.270 0.157 10 10 CCCE C[C@H](Cc1ccc(O)c(O)c1)C(=O)NN1CCN(C)CC1 96785393 JZVIRDHSVAUVHP-LLVKDONJSA-N 293.367 0.555 10 10 CCCE CS(=O)(=O)[C@H]1CCC[C@]1(NCCN=[N+]=[N-])C(=O)O 90256626 QSYYDWFBFKMZRE-IONNQARKSA-N 276.318 0.307 10 10 CCCE CC(=O)NCCC(=O)N(C(C)=O)c1ccc(N)cc1 244008373 SJIJMHGFKNQJPC-UHFFFAOYSA-N 263.297 0.675 10 10 CCCE COC(=O)c1cscc1C(=O)OCC(=O)C(C)=O 808639652 MNAJLMLAVIRZOU-UHFFFAOYSA-N 270.262 0.850 10 10 CCCE COC(=O)[C@H]1CN(C(C)=O)C[C@H]1c1cccc(O)c1O 725425274 LXOITQSQSZMYGC-QWRGUYRKSA-N 279.292 0.833 10 10 CCCE CN1CCN(C)CC(C(=O)N2Cc3cccc(O)c3C2)C1 913726895 ZEKAPROZTCVDHB-UHFFFAOYSA-N 289.379 0.728 10 10 CCCE CCn1nnc(CNC(=O)c2ccc(O)c(O)c2)n1 1893058350 CPFFONGSJGQYRN-UHFFFAOYSA-N 263.257 0.034 10 10 CCCE Cc1ccc(C(=O)N(C)C2CS(=O)(=O)C2)c(O)c1O 913138718 HFTGMQCGIDDQGV-UHFFFAOYSA-N 285.321 0.275 10 10 CCCE COC(=O)[C@@H](N)C1(c2ccc(O)c(O)c2O)CC1 1952603240 UUKLRFLPWHGIDW-SNVBAGLBSA-N 253.254 0.335 10 10 CCCE CN=[S@@](C)(=O)CCNC(=O)/C=C/c1ccc(O)c(O)c1 912790305 YSDHXXUXLBPPLS-XXIDSNJLSA-N 298.364 0.955 10 10 CCCE N[C@@H]1CCSC[C@H]1NC(=O)Cc1ccc(O)c(O)c1 1896211974 AXFUAYZXLMJBBZ-NXEZZACHSA-N 282.365 0.589 10 10 CCCE COC(=O)[C@@](C)(O)CN1CCCc2cc(CN)ccc21 700795234 TYVQKZSUJYVHQC-HNNXBMFYSA-N 278.352 0.822 10 10 CCCE Nc1ccc(OCCNS(=O)(=O)c2cc[nH]c2)cc1 63130583 PHUASZOVJUJAMB-UHFFFAOYSA-N 281.337 0.954 10 10 CCCE C[C@@H]1CS(=O)(=O)C[C@@H]1NCc1ccc(O)c(O)c1 711651943 AGEXWRWPVPRSBK-SCZZXKLOSA-N 271.338 0.621 10 10 CCCE Nc1ccc(CS(=O)(=O)NCC23CCN(CC2)C3)cc1 715831650 OXTYXHLADPFXRS-UHFFFAOYSA-N 295.408 0.784 10 10 CCCE CN(Cc1ccccc1O)C(=O)c1c(CN)cnn1C 719296900 IOBNIMUNXQWIAE-UHFFFAOYSA-N 274.324 0.857 10 10 CCCE Cn1[nH]cnc1=NC(=O)c1c(F)ccc(O)c1O 1306725814 WXJDPNHMTFOYCY-UHFFFAOYSA-N 252.205 0.040 10 10 CCCE COc1ccc(C(=O)NCc2c(O)cccc2O)nn1 1178910355 CWBRSHFTFWYHOE-UHFFFAOYSA-N 275.264 0.826 10 10 CCCE Oc1cccc(F)c1CN[C@@]12CC[C@@H](C1)[C@H](O)[C@@H]2O 2120520127 JGTMALYIUBSCMI-GZBPVQSJSA-N 267.300 0.895 10 10 CCCE C[C@]1(CN)C[C@H](NC(=O)c2cc(O)c(O)c(O)c2)C1 2132400368 MDBMFUDKENJVAR-XCSCGOTBSA-N 266.297 0.661 10 10 CCCE C[C@@H]1CCN[C@@H]1CNC(=O)c1cc(O)c(O)c(O)c1 2132402432 YVMFOPKEKOKSNQ-VXNVDRBHSA-N 266.297 0.531 10 10 CCCE C[C@H]1C[C@H](N)CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2132409152 CFBGNXZWTWYNMG-CBAPKCEASA-N 266.297 0.613 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3C[C@@H]4C[C@@H]4[C@@H]3CO)ccc21 1905554403 BQOCDGXBYOSXOK-QNWTXNENSA-N 259.309 0.456 10 10 CCCE [N-]=[N+]=NCCCN[C@@]1(C(N)=O)C[C@@H]2OCCC[C@@H]21 1912192045 ABLWIQKIJCGAFM-QXEWZRGKSA-N 253.306 0.699 10 10 CCCE [N-]=[N+]=NC[C@H]1CCN(C(=O)c2cnc(O)nc2O)C1 1912173358 LSRWVBIAJBNSPT-ZCFIWIBFSA-N 264.245 0.660 10 10 CCCE CNC(=O)NC(=O)CCN1CCC[C@H](CN=[N+]=[N-])C1 1912210167 FVYPKOGCLUCGAY-SECBINFHSA-N 268.321 0.854 10 10 CCCE Cc1cc(N2[C@H]3CC[C@H]2[C@H](O)[C@H](O)C3)ccc1CO 2133918311 CATVVNRULJMCMC-XQLPTFJDSA-N 263.337 0.950 10 10 CCCE COCC(COC)ONCc1cccc(O)c1O 2256195862 CUFCAZVNKWYCFB-UHFFFAOYSA-N 257.286 0.780 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CC[C@](F)(CO)C3)ccc21 1917064147 BOOBCWVWGSKGEX-WCQYABFASA-N 265.288 0.549 10 10 CCCE NCc1cc(F)c(N2C[C@H]3C(C(N)=O)[C@@H]3C2)c(F)c1 2136612513 ZUXHPBVLTJNPSI-HTQZYQBOSA-N 267.279 0.591 10 10 CCCE CCN1CC[C@H]1C(=O)NCc1ccc(O)cc1O 1643104402 XCLLDMGRESWQQQ-NSHDSACASA-N 250.298 0.808 10 10 CCCE Nc1ccc(OCCC(=O)N2C[C@H]3[C@H](N)[C@H]3C2)cc1 1876490590 DDQQARWJZVKQOA-IMRBUKKESA-N 261.325 0.453 10 10 CCCE COc1cc(N2CCn3cnnc3C2)ccc1CO 2139701468 VIKAQYDYGCXASQ-UHFFFAOYSA-N 260.297 0.799 10 10 CCCE NCC[C@@H]1C(=O)NN(c2ccc(F)cc2F)C1=O 106656428 AUEBUXMJTXWNPV-SSDOTTSWSA-N 255.224 0.308 10 10 CCCE CN(C[C@@H](N)CC(=O)O)c1ccc2c(c1)OCO2 259032609 ZSNBERWSFLDOHF-QMMMGPOBSA-N 252.270 0.654 10 10 CCCE Nc1ccc(OCCS(=O)(=O)NCCCCO)cc1 236335258 CXTQXLSRXKNBST-UHFFFAOYSA-N 288.369 0.340 10 10 CCCE C[C@H]1NCCC[C@@H]1NC(=O)COc1ccc(N)cc1 1876511249 NJEWVJPIQJZGPD-MFKMUULPSA-N 263.341 0.904 10 10 CCCE Nc1ccc(CS(=O)(=O)NC[C@H](F)C2CNC2)cc1 1876534515 FERCAPQLOYMFMS-LBPRGKRZSA-N 287.360 0.246 10 10 CCCE C[C@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)[C@H]1C(=O)O 2144030625 QKBOTIJSQNDWFZ-ISVAXAHUSA-N 279.292 0.962 10 10 CCCE Nc1ccc(N2C[C@]3(CCS(=O)(=O)C3)OC2=O)cc1 258560154 OLIJEPCGTBYUMR-LBPRGKRZSA-N 282.321 0.783 10 10 CCCE CNCc1cc(F)c(N2C[C@H](N(C)C)[C@H](O)C2)c(F)c1 2146165153 ZZOBGUGCQSXZLG-QWHCGFSZSA-N 285.338 0.795 10 10 CCCE NCc1ccc(N2C[C@@H](O)C[C@@H](O)C2)cc1Cl 1998332002 WIQBXISCKDWOJA-PHIMTYICSA-N 256.733 0.731 10 10 CCCE Nc1ccc(OCC(=O)NC[C@@H]2C[C@@H](O)CCO2)cc1 2154227893 LVSFPRLHHRWKNA-AAEUAGOBSA-N 280.324 0.304 10 10 CCCE Nc1ccc(CS(=O)(=O)NC[C@@H]2C[C@@H]2N)cc1 2016963473 FSZKILOADFRXHN-ONGXEEELSA-N 255.343 0.035 10 10 CCCE O=C1NC(=O)[C@@H]2CCN(c3ccc(CO)cc3F)C[C@@H]12 2158790439 WRGPAGIICMGSOK-NXEZZACHSA-N 278.283 0.417 10 10 CCCE O=C(N[C@@H]1CN2CC[C@H]1C2)[C@@H]1CNc2ccccc2N1 2158770243 YLVYZRGJVBGWSR-LEWSCRJBSA-N 272.352 0.713 10 10 CCCE CC(C)[C@H](Nc1c(N)cccc1C(N)=O)C(=O)N(C)C 2156462304 QZKCAIMTNFWHJO-NSHDSACASA-N 278.356 0.892 10 10 CCCE CN(C)c1ccc([C@@H](O)C(=O)[C@@H]2CCCS2(=O)=O)cc1 2156779240 IIDYLPXPSVLRIL-QWHCGFSZSA-N 297.376 0.932 10 10 CCCE Nc1cc2c(cc1N1CCC[C@H]1CCO)NC(=O)CO2 312917256 BQTZVIRWYAIIOZ-VIFPVBQESA-N 277.324 0.951 10 10 CCCE COCCNCc1ccc(N(C)C(CO)CO)c(F)c1 313313734 ITEMWKVOHZQGHY-UHFFFAOYSA-N 286.347 0.351 10 10 CCCE COCCNCc1ccc(N2CC[C@](O)(CO)C2)cc1 313751159 QOJHOCPUTPZZLY-OAHLLOKOSA-N 280.368 0.356 10 10 CCCE C[C@H](O)CN1CCN(c2c(F)cc(CN)cc2F)CC1 2170220722 JSXQKMWYXXPZKF-JTQLQIEISA-N 285.338 0.926 10 10 CCCE CCN1C(=O)C[C@@H](NCc2ccc3c(c2)CCO3)C1=O 2160556402 HSJVUAGQXZIIHJ-GFCCVEGCSA-N 274.320 0.859 10 10 CCCE CCN(CC)CCN[C@@H](C(N)=O)c1c(O)cccc1F 2160773117 WDZWJKRZNAHIIO-CYBMUJFWSA-N 283.347 0.989 10 10 CCCE CNC(=O)[C@H]1CNCCN1[C@H](C)c1ccc(O)cc1O 89082725 CQFBXPAUJDWBPV-BXKDBHETSA-N 279.340 0.179 10 10 CCCE CNCc1ccc(N2CC[C@@H](NS(C)(=O)=O)C2)cc1C 703139935 SWTLHWFPTFQNQJ-CYBMUJFWSA-N 297.424 0.842 10 10 CCCE CN(CCC(=O)Nc1ccc(N)cc1)[C@H]1COC[C@H]1O 709254353 AGWFEEMETOUYNL-QWHCGFSZSA-N 279.340 0.289 10 10 CCCE COC(=O)[C@](C)(NCCN=[N+]=[N-])c1cn(C)cn1 710120892 AYDPNSKEUMZLPH-SNVBAGLBSA-N 252.278 0.708 10 10 CCCE CNCc1ccc(N2CC(C(N)=O)C2)cc1Cl 382055311 HACQDUXVGNSHOK-UHFFFAOYSA-N 253.733 0.981 10 10 CCCE O=C(NC[C@@H]1C[C@H](O)C12CCC2)c1cc(O)nc(O)c1 2172233621 CDLLOJHGZFSVHF-UWVGGRQHSA-N 278.308 0.774 10 10 CCCE O=C1NOC[C@@H]1NCc1ccc(N2CCOCC2)cc1 393801028 SLXAWQNORYEBOR-ZDUSSCGKSA-N 277.324 0.043 10 10 CCCE CN1CC2(CCN(c3ccc4c(c3)NC(=O)[C@H]4N)C2)C1 398733841 WNAWBBKRLPBREL-ZDUSSCGKSA-N 272.352 0.780 10 10 CCCE Cc1cc(O)n2ncc(C(=O)N3C[C@@H](C)[C@@H](O)C3)c2n1 2062968140 FILNEHQFABLWFU-XCBNKYQSSA-N 276.296 0.196 10 10 CCCE O=C1Nc2cc(N3CC4(CC[C@H]4O)C3)c(F)cc2[C@@H]1O 2179699268 ZMBHPEKPJAZAPM-NEPJUHHUSA-N 278.283 0.772 10 10 CCCE C[C@@H](NCC(CO)(CO)CO)c1ccc(N(C)C)cc1 2179797051 CTUQOTTUMZAHSU-GFCCVEGCSA-N 282.384 0.367 10 10 CCCE Nc1ccc(OCC(=O)N2CC(n3cnnc3)C2)cc1 2170197043 DYQIEIAAUIEKJM-UHFFFAOYSA-N 273.296 0.323 10 10 CCCE O=[N+]([O-])c1cc(N2CCN(CCO)CC2)ccc1CO 2188574600 UGKWOYDSEBJZKR-UHFFFAOYSA-N 281.312 0.201 10 10 CCCE C[C@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)C[C@H](C)C1O 2188867808 HBPLOESKIZZHJF-YUMQZZPRSA-N 281.308 0.892 10 10 CCCE CN1CC[C@@H]2OCCN(Cc3cc(N)ccc3O)[C@H]2C1 2185595454 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COc1ccc(N2CCC[C@](O)(C(N)=O)C2)cc1C 2226878062 ZHSMIQGYGXQZRL-CQSZACIVSA-N 264.325 0.820 10 10 CCCE CN(C)c1ccc(OCc2ccc(=NN)[nH]n2)cc1 2229379312 LZGKDNWQIOFRKL-UHFFFAOYSA-N 259.313 0.829 10 10 CCCE CC(=O)c1cc(F)cc(CN2CC[C@@H]2[C@@H](O)CO)c1O 2286214233 OXKPCCRDQBHSFW-OLZOCXBDSA-N 283.299 0.661 10 10 CCCE CC[C@@H]1[C@H](O)CCN1c1ccc2c(c1)NC(=O)[C@@H]2N 2273221392 XNBYEFGKWHKPCU-JHJVBQTASA-N 261.325 0.988 10 10 CCCE O[C@@H]1CCN(c2ccc3c(c2)OCCO3)CC[C@H]1O 2269153896 YLXVUGFAEVRHBQ-VXGBXAGGSA-N 265.309 0.780 10 10 CCCE NC1C[C@H]2CSC[C@@H](C1)N2C(=O)c1cc(O)nc(O)c1 2285854563 CFWLUKJPSRQFOS-PBINXNQUSA-N 295.364 0.540 10 10 CCCE C[C@@H](O)c1ccc(N2CC(O)(C(F)(F)CO)C2)cc1O 2288526133 AGTYJVMHZKEQSW-MRVPVSSYSA-N 289.278 0.624 10 10 CCCE [N-]=[N+]=NCCCN[C@@H](C(N)=O)[C@@H]1C[C@H]2CC[C@@H]1O2 2309350541 ZUPCLYUYBTYSLC-DOLQZWNJSA-N 253.306 0.698 10 10 CCCE Oc1ccc(CN[C@H]2CCC[C@@H](O)[C@H]2O)c(O)c1 2312194775 VMOYTLNDLXGPGE-LOWVWBTDSA-N 253.298 0.462 10 10 CCCE OCCSCCNCc1cc2c(cc1O)OCO2 2314056321 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COCCNC(=O)CN[C@@H](C)c1ccccc1O 135719204 NWHONKKNYHDUJO-JTQLQIEISA-N 252.314 0.805 10 10 CCCE CC[C@H]1C(=O)NCCN1c1ccc(CN)c(F)c1 135227778 CBTJCJRZROGPNK-LBPRGKRZSA-N 251.305 0.999 10 10 CCCE CC[C@@H](N)CC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 135550198 FJOURFWGRRAOJF-NXEZZACHSA-N 296.323 0.337 10 10 CCCE CC(C)(O)CNS(=O)(=O)CCOc1ccc(N)cc1 87009851 AHMJTQWPDWFHMY-UHFFFAOYSA-N 288.369 0.338 10 10 CCCE COC(=O)[C@@H](NCCCN=[N+]=[N-])c1cncn1C 90259462 HIZZTXFQPUIQDI-VIFPVBQESA-N 252.278 0.924 10 10 CCCE [N-]=[N+]=NCCN[C@@]1(C(N)=O)COc2cc(O)ccc21 90257983 SYPWXMBYFISRLS-NSHDSACASA-N 263.257 0.365 10 10 CCCE Cc1cc(O)cc(C)c1NS(=O)(=O)C1CNC1 2217023789 VWTFFPDMKINQPL-UHFFFAOYSA-N 256.327 0.723 10 10 CCCE CN1C[C@H](O)C[C@]1(C)C(=O)NCc1ccc(O)cc1O 910942377 CGIBGSPZARASAY-BXUZGUMPSA-N 280.324 0.169 10 10 CCCE Nc1nonc1C(=O)NCc1cccc(F)c1O 83391102 QXBUCHLAUGCNHA-UHFFFAOYSA-N 252.205 0.427 10 10 CCCE O=C(O)c1[nH]cnc1[C@@H]1NCCc2cc(O)c(O)cc21 83723692 QIEVPRNZDYIGTE-SNVBAGLBSA-N 275.264 0.754 10 10 CCCE C[C@@H](N)c1ccc(N(C)Cc2nnnn2C)cc1O 707671545 ZQBNKTWLMFIXRM-MRVPVSSYSA-N 262.317 0.572 10 10 CCCE CCn1cc([C@@](C)(NCCCN=[N+]=[N-])C(N)=O)nn1 714981126 OECNBPDOYBFJFG-SNVBAGLBSA-N 266.309 0.289 10 10 CCCE C[C@H](O)[C@H]1CCCN(C(=O)c2cc(O)nc(O)c2)C1 689007578 PWMRNIYTTRRCFZ-IUCAKERBSA-N 266.297 0.726 10 10 CCCE CN1CC[C@H](C(=O)NCCc2ccc(O)c(O)c2)C1 762268355 CVOUEXIUHZMWQW-NSHDSACASA-N 264.325 0.708 10 10 CCCE O=[N+]([O-])c1cc(CO)ccc1N1C[C@@H](F)[C@H](CO)C1 2120610689 MLZXHWOCKUIVFW-VHSXEESVSA-N 270.260 0.854 10 10 CCCE CNCc1ccc(N2C[C@H]3C[C@H](O)[C@H](O)[C@H]2C3)cc1 2116697652 CUUJPEGELQDVBL-REBRKWNGSA-N 262.353 0.726 10 10 CCCE COc1cccc(O)c1CNCCc1nnnn1C 2119298360 MTQHFTOYXQXKRG-UHFFFAOYSA-N 263.301 0.257 10 10 CCCE O=C1CC2(CN1)CN(c1c(F)cc(CO)cc1F)C2 2119574628 LFDGERDUTTVYNA-UHFFFAOYSA-N 268.263 0.783 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N(C)C3(CO)CC3)cc21 2128185650 JSSZENSZLAYGLV-LBPRGKRZSA-N 261.325 0.624 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC[C@H](O)[C@H]1C1CC1 2130613516 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COc1ccc(CNC(=O)CCC(N)=O)c(O)c1 1633926336 BRTVTSSHZDEYKN-UHFFFAOYSA-N 252.270 0.283 10 10 CCCE O=C(CCn1cnccc1=O)NCc1ccc(O)cc1O 1639444791 ZRNJSCHQSCPYAW-UHFFFAOYSA-N 289.291 0.361 10 10 CCCE Cc1cc(N)ccc1N1C(=O)[C@H]2CS(=O)(=O)C[C@H]2C1=O 1924766934 VOSXGIAJJPJQTO-AOOOYVTPSA-N 294.332 0.111 10 10 CCCE O=C(C[C@H]1C=CS(=O)(=O)C1)NCc1ccc(O)c(O)c1 1631439262 ZKHZNKSRVJDZOZ-SNVBAGLBSA-N 297.332 0.662 10 10 CCCE NC(=O)CCC(=O)NCc1ccc2cccnc2c1O 1638573455 YFCJDBNQCLITAO-UHFFFAOYSA-N 273.292 0.822 10 10 CCCE O=C(NCc1ccccc1O)[C@H]1CCc2nnc(O)n2C1 1566373759 CYFXJLDPZWKRMN-JTQLQIEISA-N 288.307 0.568 10 10 CCCE C[C@@H]1CN(C(=O)Nc2ccc(N)cc2)CC(=O)N1C 1926033945 QYVAXHWUVYJALX-SECBINFHSA-N 262.313 0.963 10 10 CCCE COc1ccc(N2C[C@H](N)C[C@@H](C(N)=O)C2)cc1Cl 2138250057 DFOSUCUBMPARBQ-RKDXNWHRSA-N 283.759 0.988 10 10 CCCE Cc1cccc(CNS(=O)(=O)N2CC[C@H](O)C2)c1O 2139758386 BUQPERPLDYHCNU-NSHDSACASA-N 286.353 0.102 10 10 CCCE Oc1cccc2c1[C@H](N[C@H]1CCn3nnnc3C1)CC2 1875674968 SOKRVQVORPATSH-WDEREUQCSA-N 271.324 0.971 10 10 CCCE Nc1ccc(OCC(=O)N[C@@H]2C[C@H]3CN[C@H]2C3)cc1 1876425517 ADFLXNVWHFCDLW-TVYUQYBPSA-N 261.325 0.514 10 10 CCCE O=C1Nc2cc(N3C[C@@H]4COCC[C@@H]43)ccc2[C@H]1O 1878825912 XCKLHMHRAYRHEQ-OXHMUOHRSA-N 260.293 0.897 10 10 CCCE CC1(C)[C@H](O)C[C@@]1(CO)NCc1cccc(O)c1O 1879566009 KVQDVHIFYVRHJK-RISCZKNCSA-N 267.325 0.709 10 10 CCCE COc1ccc(N2CC(S(C)(=O)=O)C2)c(N)c1 1946913228 QQAHWGHHPUWMON-UHFFFAOYSA-N 256.327 0.511 10 10 CCCE O=C(N[C@@H]1CCCCC[C@@H]1O)c1cc(O)nc(O)c1 135924758 FLZITAGASOLBNX-ZJUUUORDSA-N 266.297 0.916 10 10 CCCE CN(C(=O)CCc1ccc(N)cc1)[C@H]1CCS(=O)(=O)C1 20186612 UUZYICTXVQJDBW-ZDUSSCGKSA-N 296.392 0.847 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)[C@@]12CC[C@@H](CN1)C2 1968738978 IIHWHEJATZYEME-ABAIWWIYSA-N 276.336 0.899 10 10 CCCE CN[C@@H](c1nnnn1C)[C@@H](O)c1ccc(N(C)C)cc1 2148179252 XSABRGZNYIQAMA-NEPJUHHUSA-N 276.344 0.270 10 10 CCCE CN1C[C@H](N(C)C(=O)Cc2ccc(N)cc2)CCC1=O 1972562201 VBBOYKUTBYFTCV-CYBMUJFWSA-N 275.352 0.891 10 10 CCCE 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C[C@@H]1CN(C(=O)Cc2ccc(N)cc2)[C@H](C(=O)O)CO1 2165840059 CWLCBJONANLEDF-SKDRFNHKSA-N 278.308 0.512 10 10 CCCE N[C@](O)(c1cc(C=O)ccc1O)[C@@H](O)C(F)(F)F 575191770 QXFYYRIMDJWKJA-BDAKNGLRSA-N 265.187 0.232 10 10 CCCE Nc1ccc(OC[C@H](O)CN2C[C@H]3COC[C@H]32)cc1 2129809296 LVAULNTZMQAIHG-ZKYQVNSYSA-N 264.325 0.339 10 10 CCCE Nc1ccc(CCNC(=O)N2CC[C@@H](F)[C@H](N)C2)cc1 851665689 WPUZWELZNBBTMU-CHWSQXEVSA-N 280.347 0.892 10 10 CCCE Cc1cc(O)c(CN2C[C@@H](O)C[C@@H](O)C2)cc1C 769564280 OMXOTPBLFRJTDS-BETUJISGSA-N 251.326 0.937 10 10 CCCE O=C(O)[C@@H](c1cc(F)ccc1O)N1C(=O)C=CC1=O 83480425 PDRAAHIXQVYSCE-LLVKDONJSA-N 265.196 0.582 10 10 CCCE COC(=O)C[C@@H](NCc1ccc(N)cc1)C(=O)OC 83483603 ALOQWSCZJLQHQL-LLVKDONJSA-N 266.297 0.463 10 10 CCCE C[C@@H](O)CNCc1ccc(N2CCCNCC2)cc1 84846275 BTXTYTXEXPNREU-CYBMUJFWSA-N 263.385 0.957 10 10 CCCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)C2=NNC(=O)CC2)C1 701264848 ZXUFPQNSUMKDTH-SSDOTTSWSA-N 250.262 0.554 10 10 CCCE C[C@H](ONC(=O)CCc1ccc(N)cc1)C(=O)O 709057411 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CC(=O)N1CC(C(=O)NCc2c(O)cccc2F)C1 1352123789 BAQIRXAWERGMLW-UHFFFAOYSA-N 266.272 0.626 10 10 CCCE [N-]=[N+]=NC1CCN(S(=O)(=O)c2cc[nH]n2)CC1 1912171231 ICQOMOWGGNULFI-UHFFFAOYSA-N 256.291 0.873 10 10 CCCE [N-]=[N+]=N[C@H]1CCN(CCS(=O)(=O)N2CCCC2)C1 1912183743 TUUYXDQWVIEOPE-JTQLQIEISA-N 273.362 0.797 10 10 CCCE Nc1ccc(OCCNC(=O)N2CCC(O)CC2)cc1 1914082831 LWPJMUFVBJTZAR-UHFFFAOYSA-N 279.340 0.814 10 10 CCCE CCO[C@H](CNC(=O)Cc1ccc(O)c(O)c1)CN(C)C 1455558692 AAKPZCCOGRJLAM-GFCCVEGCSA-N 296.367 0.723 10 10 CCCE O=C(NC[C@H]1CCC[C@H](O)C1)c1cc(O)nc(O)c1 227554723 VDXJWZAVUXPWSR-WPRPVWTQSA-N 266.297 0.774 10 10 CCCE O=C(NCc1ccc(O)c(O)c1)c1cnnc(O)c1 1566358777 MGNGRZVGKWTOJJ-UHFFFAOYSA-N 261.237 0.523 10 10 CCCE CCN(Cc1ccc(N)cc1)C(=O)NCS(C)(=O)=O 2138285833 CYFBEHHWPXYOCW-UHFFFAOYSA-N 285.369 0.802 10 10 CCCE CCNS(=O)(=O)CCNC(=O)Nc1ccc(N)cc1 231015513 MKTGEYQUEWYAMQ-UHFFFAOYSA-N 286.357 0.330 10 10 CCCE Cc1cccc(CNC(=O)N[C@H](C)S(C)(=O)=O)c1O 2139740604 APCFCHXMQNPKLW-VIFPVBQESA-N 286.353 0.890 10 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AJALGORCKFVKCU-SCZZXKLOSA-N 250.298 0.778 10 10 CCCE C[C@@H](NC(=O)c1cccc(O)c1O)c1nc(O)n[nH]1 392620516 MVJAJGILJZRMFS-RXMQYKEDSA-N 264.241 0.413 10 10 CCCE C[C@H](N)c1ccc(N2CCN(C[C@@H](C)O)CC2)cc1O 2170216055 MHHATOKQTIDSQU-NEPJUHHUSA-N 279.384 0.915 10 10 CCCE CN1C(=O)N[C@@H]2CN(CCc3ccc(N)cc3)CC[C@@H]21 2171302837 NDZGJDDEXLBLTD-KGLIPLIRSA-N 274.368 0.909 10 10 CCCE CCN[C@@H]1C(=O)Nc2cc(N3CC([S@](C)=O)C3)ccc21 2171957096 NYIFFZVHMCBXEC-RBZFPXEDSA-N 293.392 0.856 10 10 CCCE O=C1CO[C@@H]2CCN(c3ccc(CO)cc3F)C[C@H]2N1 2185522213 NZELHZYSCOVIBD-DGCLKSJQSA-N 280.299 0.412 10 10 CCCE OC[C@@]1(NCc2cccc(O)c2O)C[C@H](O)C12CCC2 2193971229 RSXCXOVIZNBBPB-WFASDCNBSA-N 279.336 0.853 10 10 CCCE CN(C)c1ccc(C=CC(=O)NCC(CO)CO)cc1 2179739692 CESHQIIEJUEAPM-UHFFFAOYSA-N 278.352 0.483 10 10 CCCE Nc1ccc(NC(=O)N2CCC[C@H](NCCO)C2)cc1 2191532503 XRRBZQOBQPEONH-ZDUSSCGKSA-N 278.356 0.847 10 10 CCCE Nc1ccc(NC(=O)NC[C@H]2CCC3(CNC3)O2)cc1 2191530372 PQKNCBNXTGFKPW-GFCCVEGCSA-N 276.340 0.911 10 10 CCCE O=C(O)CN(CC(=O)O)Cc1c(O)cccc1F 2042630952 JXRTWRINQPNBGW-UHFFFAOYSA-N 257.217 0.503 10 10 CCCE COc1ccc(CN2C[C@@H](N)CC[C@@H]2C(=O)O)c(O)c1 2188786085 CSMXYBYARQKNPA-CMPLNLGQSA-N 280.324 0.777 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1[C@H]2CCC[C@H]1CNC2 2188924736 QTRHCWZXRFISFF-UWVGGRQHSA-N 278.308 0.770 10 10 CCCE CS(=O)(=O)C1(C(=O)N2CCC[C@H](N=[N+]=[N-])C2)CC1 2048930436 BXNIADGYEXEGJF-QMMMGPOBSA-N 272.330 0.865 10 10 CCCE CN(Cc1cccc(F)c1O)[C@H]1CC(=O)NC1=O 2051512976 FCLKEXACZBVIOR-VIFPVBQESA-N 252.245 0.378 10 10 CCCE [N-]=[N+]=NCC1(CNC(=O)[C@@H]2CCC(=O)NC2)CC1 2054028139 BGXABLQAGPLTTI-MRVPVSSYSA-N 251.290 0.719 10 10 CCCE NCc1ccc(N2C[C@@H]3NC(=O)O[C@@H]3C2)c(F)c1 2056811384 HAGAMYXULZAPRF-GXSJLCMTSA-N 251.261 0.581 10 10 CCCE NCCC1(NC(=O)c2cc(O)c(O)c(O)c2)CC1 2072523068 NWCDNEBSJAWDBW-UHFFFAOYSA-N 252.270 0.415 10 10 CCCE COc1ccc(CN2CCC(O)(C(=O)O)CC2)c(O)c1 2197433843 MBDOBPAMKSFTCT-UHFFFAOYSA-N 281.308 0.812 10 10 CCCE C[C@@]12CC[C@@](C(=O)C(=O)C[C@H]3C[C@H](N)C3)(C1)NC2 2078924625 BVJBXKGPMWWSDY-MHWZDGSBSA-N 250.342 0.784 10 10 CCCE Nc1ccc(OCCC(=O)N2C[C@@H]3C[C@H]3[C@@H]2CO)cc1 2198997872 VIHRUMVBZXPMOQ-GDLCADMTSA-N 276.336 0.877 10 10 CCCE COc1cc(C(=O)NC2CC(C)(N)C2)cc(OC)n1 2110623174 INDWEHGTJGJCFX-UHFFFAOYSA-N 265.313 0.708 10 10 CCCE COC[C@H](C)S(=O)(=O)NCCc1ccc(O)c(O)c1 2091745118 WUFFXEFXZHGUEC-VIFPVBQESA-N 289.353 0.595 10 10 CCCE CS(=O)(=O)C1CN(CC(=O)c2ccc(O)c(O)c2)C1 2095967095 WHKDMOAPNDPAEW-UHFFFAOYSA-N 285.321 0.009 10 10 CCCE C[C@]1(CO)COCCN1CCOc1ccc(N)cc1 2112714242 VRQSLWHFDSOMNU-AWEZNQCLSA-N 266.341 0.731 10 10 CCCE COc1ccc(O)c(CN[C@H]2[C@H]3CS(=O)(=O)C[C@H]32)c1 2118015075 NGGHSQDTHWGNPX-PTEHBNRSSA-N 283.349 0.533 10 10 CCCE CNCc1ccc(N2CCN(C)C[C@@H]2CO)cc1OC 2204540704 BUZXADPMKBZKRB-CQSZACIVSA-N 279.384 0.527 10 10 CCCE C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)COc1nnc(=N)[nH]n1 2209555456 DZBJMEQJQFUFEU-YUMQZZPRSA-N 298.347 0.607 10 10 CCCE COc1ccc(N2CC[C@@H](O)[C@H](O)C2)c(OC)c1 2219645702 SCRNAPNFIQFCNP-VXGBXAGGSA-N 253.298 0.636 10 10 CCCE COC[C@@H]1[C@H](O)[C@H](O)CN1c1ccc([C@@H](C)O)cc1F 2233866276 PGDFFQXSLMZGTG-OJICRYGUSA-N 285.315 0.436 10 10 CCCE C[C@H](O)c1ccc(N2C[C@@H]3COC[C@@]3(CO)C2)cc1O 2234564070 BMJCISQHAJULPP-RWSFTLGLSA-N 279.336 0.891 10 10 CCCE COC[C@@H]1[C@H](O)[C@H](O)CN1c1ccc2c(c1)OCCO2 2235107297 YBZLZBDJKHYJBY-GYSYKLTISA-N 281.308 0.015 10 10 CCCE CNC(=O)[C@@H]1COCCN1c1ccc(OC)cc1CO 2236000702 WNRGMKRJGDTYGQ-ZDUSSCGKSA-N 280.324 0.139 10 10 CCCE COc1ccc(N2CC3(C2)OC[C@@H](O)[C@H]3O)c(F)c1 2226773398 COQULTIVFBQFBT-VXGBXAGGSA-N 269.272 0.145 10 10 CCCE COc1ccc(N2CCn3c(CO)nnc3C2)cc1 2226790383 CECFVWQHYKDHGP-UHFFFAOYSA-N 260.297 0.799 10 10 CCCE COc1ccc(N2CC[C@](O)(CO)[C@H](O)C2)cc1Cl 2226929538 FMVXDIPUAREQPO-OLZOCXBDSA-N 287.743 0.643 10 10 CCCE Nc1ccc(NC(=O)N2CC3(CCC(=O)N3)C2)cc1 2229701143 IIWYJHWFGPJAMZ-UHFFFAOYSA-N 260.297 0.765 10 10 CCCE CNC(=O)C[C@H](CN)N(C)c1ccc(OC)cc1 2253405193 YIUOEEPZTPMDAQ-LLVKDONJSA-N 251.330 0.595 10 10 CCCE COc1nc(=N)[nH]c(=NCc2cnc(SC)s2)[nH]1 2257118567 QBKPMWBRMCIVCW-UHFFFAOYSA-N 284.370 0.505 10 10 CCCE OC[C@@H]1CN(c2ccc(OCF)cc2)C[C@H](O)[C@H]1O 2278515830 SWXZJADUGKMCGZ-XDTLVQLUSA-N 271.288 0.143 10 10 CCCE CN(C)c1ccc(OC[C@@H]2CO[C@@H]3CNC[C@@H]3O2)cc1 2279922494 SIZYEZUSJOCPGN-KFWWJZLASA-N 278.352 0.887 10 10 CCCE CN1CC2(CN(c3ccc(CO)c(Cl)c3)C2)OCC1=O 2289667320 AAZKRUFMRCSUPO-UHFFFAOYSA-N 296.754 0.880 10 10 CCCE Cc1cccc(CNC(=O)CCNCCO)c1O 2319812210 NOAFBCIXSWTZLA-UHFFFAOYSA-N 252.314 0.289 10 10 CCCE OCc1ccc(N2C[C@@H]3C[C@H]2[C@H](O)[C@H]3O)c(F)c1 2308767421 AAGZPEWDIKZFES-WTFGDDLMSA-N 253.273 0.248 10 10 CCCE O[C@H]1CNc2cc(F)c(N3CCOCC3)cc2C1 2318657334 CGSLTFAKKDMNLS-SNVBAGLBSA-N 252.289 0.991 10 10 CCCE CNCc1ccc(N2C[C@@H]3C[C@H]2[C@@H](O)[C@H]3O)c(Cl)c1 2329327453 ZSDVEKVIERGCSL-NZPIUUIZSA-N 282.771 0.990 10 10 CCCE Nc1ccc(NC(=O)N2C[C@@H]3C[C@H]2[C@@H](O)[C@@H]3O)cc1 2329331483 BTRPSTOJFRMDTF-CWPPHPDTSA-N 263.297 0.227 10 10 CCCE O=C(N[C@H]1C[C@@H]2C[C@H]1C[C@@H]2O)c1cccc(O)c1O 2330897728 RDZGSYOYMJQWPG-ZQCZZBHPSA-N 263.293 0.987 10 10 CCCE Cc1cc(N2C[C@@H](O)[C@@H](O)[C@H]2CF)ccc1[C@@H](C)O 2334468661 GHZGTDUPRQGOIB-JXJLXUTGSA-N 269.316 0.928 10 10 CCCE Cc1c([C@H](C)O)ccc(N2CC(=O)NC(=O)C2)c1C 2340849673 YMIGQTFJNNETQB-JTQLQIEISA-N 262.309 0.820 10 10 CCCE C[C@@H](N)c1ccc(N2C[C@H]3C[C@H](O)[C@H](O)[C@@H]2C3)cc1O 2355336978 XEBONLPBMDZBOY-OJACKCGHSA-N 278.352 0.732 10 10 CCCE CN1CCN(C(=O)c2ccn(-c3ccc(N)cc3)n2)CC1 35427773 ZGEIOOHVTXYYNX-UHFFFAOYSA-N 285.351 0.842 10 10 CCCE C[C@@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)C[C@@H]1N 1157821470 MIBBGPRDYPARSA-APPZFPTMSA-N 266.297 0.613 10 10 CCCE CN(CCN1CCNCC1)c1ccc2c(c1)OCCO2 76446347 BXHZCESPQYKXJD-UHFFFAOYSA-N 277.368 0.799 10 10 CCCE N[C@@H]1CCC[C@@H]2CN(C(=O)c3cc(O)nc(O)c3)C[C@H]21 130676328 QFZXVINKEJRDPL-FBIMIBRVSA-N 277.324 0.692 10 10 CCCE CCN(CC)c1ccc([C@H]2CNC(=O)CN2)c(O)c1 1951965012 GDTNSLCDEODPJI-GFCCVEGCSA-N 263.341 0.999 10 10 CCCE C[C@H](CNC(=O)c1ccc(O)c(O)c1)C(N)=S 235461570 YJVVBBVGCKMWQE-ZCFIWIBFSA-N 254.311 0.750 10 10 CCCE C[C@H]1CN(CCOc2ccc(N)cc2)C[C@H](CO)O1 299961539 XILSGZDRSLWINF-SMDDNHRTSA-N 266.341 0.729 10 10 CCCE CC(=O)C(=O)COC(=O)[C@H]1CCCCN1C(C)=O 808528901 UABZFBJEYXCQKU-SNVBAGLBSA-N 255.270 0.089 10 10 CCCE CN1CCc2cc([C@H](CCn3cnnn3)NN)ccc21 2163147726 OSLKITAKHWVIJG-LBPRGKRZSA-N 273.344 0.260 10 10 CCCE CC(=O)C(=O)COC(=O)c1n[nH]c2c1CCCC2 808502147 YUOCSNPXBGQUCT-UHFFFAOYSA-N 250.254 0.603 10 10 CCCE Cc1cccc(CNC[C@@]2(OCCO)CCOC2)c1O 826942370 PCZAJHVMFZKAQK-HNNXBMFYSA-N 281.352 0.958 10 10 CCCE C[C@@H]1CN(C)C[C@H]1NS(=O)(=O)Cc1ccc(N)cc1 722246359 UJYTZMRBFXHJNV-ZWNOBZJWSA-N 283.397 0.638 10 10 CCCE C[C@H](N)c1ccc(N2CCN(CC(N)=O)CC2)cc1 723174359 BELKEIYWKKBEOF-NSHDSACASA-N 262.357 0.314 10 10 CCCE CNC(=O)NCCC(=O)NCc1c(O)cccc1F 928706837 WFODUZIOUKEIKW-UHFFFAOYSA-N 269.276 0.467 10 10 CCCE O=C(COC(=O)[C@H]1CCC[C@H]1O)c1ccc(O)c(O)c1 783878396 NXCWFCJWPOOBHL-VHSXEESVSA-N 280.276 0.985 10 10 CCCE CC[C@H](Nc1c(N)cccc1C(N)=O)C(=O)NC 700468949 IHYMAPAQZNMUMW-VIFPVBQESA-N 250.302 0.304 10 10 CCCE C[C@H](N)c1ccc(N2CC[C@@H](NS(C)(=O)=O)C2)cc1O 703140216 YKEGCZCBSNEBKT-VHSXEESVSA-N 299.396 0.540 10 10 CCCE Cc1cc(CNS(=O)(=O)Cc2ccc(N)cc2)n[nH]1 716799669 PHKJEMYPWJLIRZ-UHFFFAOYSA-N 280.353 0.920 10 10 CCCE NC(=O)c1cccc(N)c1N[C@@H]1CCN(C2CC2)C1=O 709071851 RWEHBBBCPZVYJW-LLVKDONJSA-N 274.324 0.543 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3CCS[C@H](CO)C3)cc21 720042975 DNZSGOVXUCMKIT-GXFFZTMASA-N 293.392 0.577 10 10 CCCE NCc1ccc(N2CC[C@@H](NC(N)=O)C2)c(F)c1F 690784775 MVVQRPYAVHSBTP-MRVPVSSYSA-N 270.283 0.671 10 10 CCCE CCOc1cccc(CN(CC(=O)O)CC(=O)O)c1O 86774245 MWFVZBUQMDXHRA-UHFFFAOYSA-N 283.280 0.762 10 10 CCCE NC(=O)c1cccc(N)c1N[C@H]1CCN[C@@H]1C1CC1 1886018240 CQCIVKCHUOBMPD-NWDGAFQWSA-N 260.341 0.920 10 10 CCCE Nc1ccc(CCOc2cncc3nnnn23)cc1 2119779956 HGPISBRTXFJREB-UHFFFAOYSA-N 256.269 0.723 10 10 CCCE CN(C)c1ccc(/C=C/CN[C@@H](CC(N)=O)C(=O)O)cc1 1332031989 FZXVGFYEIAZMDJ-OOPCZODUSA-N 291.351 0.684 10 10 CCCE C[C@H](NC(=O)c1cc(O)c(O)c(O)c1)c1ncon1 2132351112 UFWBFYQSFMRLRT-YFKPBYRVSA-N 265.225 0.677 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CCC[S@](=O)CC1 2132348001 BKKWDDXVYHXHRN-IBGZPJMESA-N 285.321 0.398 10 10 CCCE C[C@H](c1ccc(O)cc1O)N1CCN[C@H]2COC[C@H]21 2132559972 OFBCEBCOZJVLKW-JIMOISOXSA-N 264.325 0.831 10 10 CCCE Cn1cc(C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)n(C)c1=O 1912181377 NKHVBQZSYXQQOG-QMMMGPOBSA-N 264.289 0.496 10 10 CCCE Cc1ccc(O)c([C@@H](C(=O)O)N(C)CC(=O)O)c1 211848716 ATRLTPVIXZRUNK-NSHDSACASA-N 253.254 0.843 10 10 CCCE C[C@H]1CNC[C@@](C)(O)CN1c1ccc2c(c1)OCO2 217100403 IBPXDILPYBMQCG-IINYFYTJSA-N 264.325 0.964 10 10 CCCE COC(=O)[C@](C)(O)CNC(=O)/C=C/c1ccc(O)c(O)c1 1296144901 DLZQHMBXNVESOO-YVARQFDVSA-N 295.291 0.151 10 10 CCCE O=[N+]([O-])c1cc2c(cc1N1C[C@@H](O)[C@H](F)C1)OCCO2 1917275835 XDQJIOYEZZVULQ-GMSGAONNSA-N 284.243 0.885 10 10 CCCE CN[C@H](C)c1ccc(N(C)[C@H]2CCNC2=O)cc1O 1916801665 MRIXIXBYQWDEDV-SKDRFNHKSA-N 263.341 0.997 10 10 CCCE COc1ccc(O)c([C@@H](C)NC2CN(C(N)=O)C2)c1 1917757555 WSNMGHONNZBITH-MRVPVSSYSA-N 265.313 0.814 10 10 CCCE CC(=O)C(=O)[C@@H](O)C1CN(C(=O)OC(C)(C)C)C1 1919159997 PDRMIAQEZKRTKT-JTQLQIEISA-N 257.286 0.372 10 10 CCCE NC(=O)[C@@H]1[C@H]2CN(c3ccc4c(c3)CC[C@H]4N)C[C@H]21 2136602716 DSHOLQXUELJHPP-RQJABVFESA-N 257.337 0.800 10 10 CCCE C[C@@H](CC(N)=O)C(=O)NCc1ccc(O)c(O)c1 1635959630 LNKBMXQBMHSRJR-ZETCQYMHSA-N 252.270 0.226 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NC1(c2nn[nH]n2)CCC1 1644748619 QSCLMUCFSAOMDQ-UHFFFAOYSA-N 289.295 0.349 10 10 CCCE C[C@@](O)(CO)[C@H]1CCN(c2ccc(CO)cc2F)C1 2138092661 ZVPNMCJJFQDSKP-SMDDNHRTSA-N 269.316 0.888 10 10 CCCE C[C@H](NCc1ccccc1O)C(=O)N1CCOCC1 134522411 UUXSVMLAWXCVAO-NSHDSACASA-N 264.325 0.729 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)Nc1cncnc1 232089111 SNTLACOMNMOQAP-JTQLQIEISA-N 274.280 0.396 10 10 CCCE CC[C@@H]1SC(=S)N(CCC(=O)NCCO)C1=O 11635872 QXZQJWWCFWOQID-ZETCQYMHSA-N 276.383 0.124 10 10 CCCE COc1cc(C)c(N(C)C[C@@H](N)CN)cc1OC 259037583 PCOTZRJWJCEUNI-JTQLQIEISA-N 253.346 0.734 10 10 CCCE CC[C@@H](N)c1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CF)cc1 2140668321 ZYRBXCRPIGLDDW-MQYQWHSLSA-N 268.332 0.976 10 10 CCCE O=C(N[C@@H]1COC[C@H]1F)[C@@H]1CNc2ccccc2N1 1876140588 QLXVHTNNYYRJFF-JFUSQASVSA-N 265.288 0.746 10 10 CCCE CC1(C)CNC[C@@H]1NC(=O)COc1ccc(N)cc1 1876522912 HKDKTWWKCCJDJV-LBPRGKRZSA-N 263.341 0.762 10 10 CCCE Cc1cc(O)nc(NC(=O)c2cc(O)nc(O)c2)n1 1877936115 LWZJMIUTNIFFLU-UHFFFAOYSA-N 262.225 0.549 10 10 CCCE CCN[C@@H](c1ccccc1O)[C@H](O)c1nnnn1C 1885447771 IZPLMWROLLIMOE-QWRGUYRKSA-N 263.301 0.300 10 10 CCCE COc1ccc(O)c(CNCC2(C)CS(=O)(=O)C2)c1 1967849332 HMXRBWROFKCCHI-UHFFFAOYSA-N 285.365 0.925 10 10 CCCE Nc1ccc(O)c(CNC(=O)c2cnsn2)c1 2002054197 AUFAQXQRJCRIRR-UHFFFAOYSA-N 250.283 0.756 10 10 CCCE C[C@@H](C[S@](C)=O)NC(=O)CCOc1ccc(N)cc1 168661766 SXSQFQDJTFIWNP-APBUJDDRSA-N 284.381 0.921 10 10 CCCE Nc1cc2c(cc1N1C[C@@H]3OCCO[C@@H]3C1)OCCO2 2149762572 SVGXBUXKYMQHRX-OKILXGFUSA-N 278.308 0.644 10 10 CCCE CN(C)c1ccc([C@H](N)[C@H]2CCS2(=O)=O)cc1 1999506945 SMSMPRJKLHLHJD-NEPJUHHUSA-N 254.355 0.940 10 10 CCCE C[C@H](C(=O)NCC1(CN=[N+]=[N-])CC1)S(C)(=O)=O 2006021486 UUHGOPXWNCFJEU-SSDOTTSWSA-N 260.319 0.626 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N3CC4(CN(C)C4)C3)ccc21 2152265105 FWZRLWUFWPYAKX-CYBMUJFWSA-N 272.352 0.651 10 10 CCCE COc1ccc(N2C[C@@H](CO)C[C@@H]2CO)c(N)c1 2029383877 LULRNYVGJKLMLD-VHSXEESVSA-N 252.314 0.457 10 10 CCCE NC(=O)[C@@H]1CC[C@@H](NCc2cccc(O)c2O)C1 2029527375 ZJFNZZTWUNGMGO-PSASIEDQSA-N 250.298 0.841 10 10 CCCE CCO[C@H](CNC(=O)c1cccc(O)c1O)CC(=O)O 312131054 RNBCGVIMWODSBP-QMMMGPOBSA-N 283.280 0.707 10 10 CCCE CCN1CC[C@H](NCc2cc3c(cc2O)OCO3)C1=O 708695616 LEMZFVHEMKBHJN-JTQLQIEISA-N 278.308 0.831 10 10 CCCE C[C@H]1CN(C(=O)COc2ccc(N)cc2)C[C@@H]1CO 709265477 KJUFVHDSFDRLDC-WDEREUQCSA-N 264.325 0.734 10 10 CCCE C[C@H](O)c1ccc(N2CCN(CCCO)CC2)cc1O 2169923665 VZHQFKBDMCZWNX-LBPRGKRZSA-N 280.368 0.950 10 10 CCCE CN[C@H](C)c1ccc(N2CCC[C@](O)(C(N)=O)C2)cc1 380025794 VCJDKJMZGOSYNX-IAQYHMDHSA-N 277.368 0.784 10 10 CCCE COCC1(O)CN(c2ccc(CN)c(Cl)c2)C1 384010646 VORWEBSCNMPEDH-UHFFFAOYSA-N 256.733 0.996 10 10 CCCE CCNCCS(=O)(=O)N(C)Cc1ccccc1O 722272255 KIKYKXPMDXPFET-UHFFFAOYSA-N 272.370 0.763 10 10 CCCE COc1ccc(N2CC[C@H](O)[C@H](CO)C2)c(N)c1 396924642 UOVQITWIOZGWRL-ZANVPECISA-N 252.314 0.457 10 10 CCCE COc1ccc([C@@H](C)NC[C@@H](C)S(N)(=O)=O)c(O)c1 398256068 ZLEDAZJGDKRZRL-RKDXNWHRSA-N 288.369 0.728 10 10 CCCE O=C(O)c1cc(O)ccc1NC(=O)c1ncc[nH]c1=O 2167026243 IBOSHEMAICLDNU-UHFFFAOYSA-N 275.220 0.426 10 10 CCCE Nc1cc2c(cc1N1CC[C@H]3[C@@H]1C[C@H]3O)NC(=O)CO2 2178169253 ORQSUJNIQWJQLT-VIRWGQHYSA-N 275.308 0.559 10 10 CCCE CN1CCc2cc([C@H](NN)C3(S(C)(=O)=O)CC3)ccc21 2167889523 HBQHQSJQFFYUMM-ZDUSSCGKSA-N 295.408 0.761 10 10 CCCE COC(=O)c1c(C(C)C)nn2c(O)cc(CC(=O)O)nc12 2080933999 ANGMOMFZKUDBGD-UHFFFAOYSA-N 293.279 0.972 10 10 CCCE COc1ccc(O)c([C@H](C)NCC(CO)(CO)CO)c1 2179798029 KHTHECLCXSUJGM-JTQLQIEISA-N 285.340 0.015 10 10 CCCE CO[C@@H]1C[C@H](NC(=O)CCc2ccc(N)cc2)C[C@H]1O 2187351583 GTKHJUSZPKVILF-MGPQQGTHSA-N 278.352 0.856 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CCO[C@@H]2COC[C@H]21 2192644574 SLSVHHVBHLIMLJ-LDYMZIIASA-N 281.264 0.043 10 10 CCCE C[C@H](NC(=O)CN1CCC[C@@H](N)C1)c1ccccc1O 2192625184 LWXZATNIKBBVGL-NWDGAFQWSA-N 277.368 0.993 10 10 CCCE O=C(N[C@@H]1[C@H]2CCCCN[C@H]21)c1cc(O)c(O)c(O)c1 2188927086 CGVCBOKBIOWEMC-XXILOJSOSA-N 278.308 0.674 10 10 CCCE Cc1cccc(O)c1CN1CC[C@H](CO)[C@H](N)C1 2058512070 FSXJIGFSRYAITH-DGCLKSJQSA-N 250.342 0.842 10 10 CCCE CN(CCC(N)=O)c1ccc(CO)c([N+](=O)[O-])c1 2068303410 GYRBQQPHEHJDAQ-UHFFFAOYSA-N 253.258 0.399 10 10 CCCE NCc1ccc(N2CC[C@@H]3OCC(=O)N[C@H]3C2)c(Cl)c1 2185522701 RAUCDXNYTSWZGO-AAEUAGOBSA-N 295.770 0.892 10 10 CCCE C[C@H](N)c1cc(F)c(N2CCNC(=O)C2)c(F)c1 2074213893 KFSPVCUJCSKZIJ-ZETCQYMHSA-N 255.268 0.921 10 10 CCCE C[C@]1(O)CN(c2ccc(CN)c(F)c2)CC[C@H]1O 2081724616 VPUAQLKAGACYPH-OLZOCXBDSA-N 254.305 0.606 10 10 CCCE CCC[C@H](C(=O)O)N(C)C(=O)c1cc(O)nc(O)c1 2102211676 PZNKKYLPDDEGGI-MRVPVSSYSA-N 268.269 0.818 10 10 CCCE CNC(=O)C1CN(c2ccc(CO)c(OC)c2)C1 2084015007 ZYYMFXYJILWZTH-UHFFFAOYSA-N 250.298 0.370 10 10 CCCE CN[C@H](CNC(=O)Cc1ccc(O)c(O)c1)C1CC1 2087728874 HYCZGHRJIBCQFT-LLVKDONJSA-N 264.325 0.755 10 10 CCCE Cc1cc(N2C[C@@H]3CS(=O)(=O)C[C@H]3C2)ccc1CO 2087862075 JEBWTOOAXHXFMD-CHWSQXEVSA-N 281.377 0.968 10 10 CCCE COC[C@@H]1CNCCN1Cc1cc(OC)ccc1O 2088493240 ZZSGYIXXVRJSLP-LBPRGKRZSA-N 266.341 0.821 10 10 CCCE Cc1oc(=NCCc2ccc(O)c(O)c2)[nH]c1CO 2110127406 XCEHATLQSIZCKX-UHFFFAOYSA-N 264.281 0.963 10 10 CCCE NN[C@H](c1ccccc1O)[C@H]1CN2CCCN1CC2 2090036527 CYDMZNNQOIPVLX-TZMCWYRMSA-N 262.357 0.287 10 10 CCCE C[C@H](NC(=O)c1cc(O)nc(O)c1)C(C)(C)C(=O)O 2090405300 XOQOWYRJOWIPOZ-LURJTMIESA-N 268.269 0.722 10 10 CCCE Nc1ccc(N2C(=O)N[C@H]([C@@H]3CCOC3)C2=O)cc1 2092890320 KMHXKNBMSTVLMJ-LDYMZIIASA-N 261.281 0.730 10 10 CCCE CO[C@@H]1CN(C)C[C@@H]1Nc1c(N)cccc1C(N)=O 2095425651 CZNGMJMCVVXBBS-WDEREUQCSA-N 264.329 0.109 10 10 CCCE C[C@H](CS(N)(=O)=O)NCc1ccc2c(c1)CCN2C 2096644591 SVSOHKJSRYDDRF-SNVBAGLBSA-N 283.397 0.446 10 10 CCCE CN1CCO[C@H]2CN(CCc3ccc(N)cc3)C[C@@H]21 2097695967 KHCQONBYQZDLNW-GJZGRUSLSA-N 261.369 0.826 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CCn2ncnc2C1 2114029104 NNMLEGWCELAFSX-UHFFFAOYSA-N 260.253 0.345 10 10 CCCE C[C@H](NC(=O)c1ccc(O)c(O)c1)[C@H](C)S(C)(=O)=O 2114223965 MCOCMRRVZXXZMF-YUMQZZPRSA-N 287.337 0.649 10 10 CCCE CCN(Cc1c(O)cccc1F)[C@H]1CC(=O)NC1=O 2114735579 RABJUIIPPDGAGX-JTQLQIEISA-N 266.272 0.768 10 10 CCCE CCN(Cc1c(C)cccc1O)[C@H]1CC(=O)NC1=O 2114733268 VINMZUVKSRXVJR-NSHDSACASA-N 262.309 0.938 10 10 CCCE C[C@@H](O)c1cc(F)c(N2C[C@H](O)[C@@H](O)[C@H]2CF)c(F)c1 2205592747 YUFBYULZFNUVNR-AEIQMDAISA-N 291.269 0.898 10 10 CCCE COc1cc(C)c(N2CCN(CCO)C(=O)C2)cc1C 2235109689 SWQSTIGSFKEKCU-UHFFFAOYSA-N 278.352 0.953 10 10 CCCE COc1ccc(N2CCCNC(=O)C2)c(C(=O)O)c1 2227676901 DRVPYHRDRANJSA-UHFFFAOYSA-N 264.281 0.720 10 10 CCCE CSc1ncc(CN[C@@H]2CC(=O)N(C)C2=O)s1 2248642493 QOAYPAIRPDPPGM-SSDOTTSWSA-N 271.367 0.712 10 10 CCCE Cc1cc([C@H](C)N)ccc1N1C[C@H](O)[C@H](O)[C@H](CO)C1 2289399556 ARLPXYFWBOZICG-HQRZJTNHSA-N 280.368 0.165 10 10 CCCE C[C@H](O)c1ccc(N2CC(O)(C(F)(F)CO)C2)cc1O 2288526134 AGTYJVMHZKEQSW-QMMMGPOBSA-N 289.278 0.624 10 10 CCCE NC[C@H]1[C@@H]2C[C@@H]2CN1C(=O)c1cc(O)c(O)c(O)c1 2332559087 NDQOXQWLWLFIOW-HLTSFMKQSA-N 264.281 0.223 10 10 CCCE N[C@@H]1C[C@@]2(NC(=O)c3cccc(O)c3O)CO[C@@H]1C2 2334245448 RAJGAMHTGIBYLM-JQEORGNBSA-N 264.281 0.086 10 10 CCCE Cc1nn(C)c2c(Sc3nccs3)[nH]c(=NN)nc12 2353086307 LINKVOSKHJYCLP-UHFFFAOYSA-N 293.381 0.987 10 10 CCCE COc1ccc(N2C[C@@H]3C[C@H]2[C@H](O)[C@@H]3O)c([N+](=O)[O-])c1 2354478831 SGYFTYNQUXANDZ-VGYUKGMSSA-N 280.280 0.534 10 10 CCCE CN(Cc1nccn1C)C[C@@H](O)COc1ccc(N)cc1 62246980 LCADCXCSNVXORW-CYBMUJFWSA-N 290.367 0.874 10 10 CCCE C[C@@H](N[C@@H]1CC(=O)N(C)C1)c1c(O)cccc1O 311089257 YIZGCQUZJOIVKO-RKDXNWHRSA-N 250.298 0.979 10 10 CCCE CCN(CC(=O)N1CCN(C)CC1)c1ccc(CN)cc1 34654563 KTJMYXSMSKDTSY-UHFFFAOYSA-N 290.411 0.746 10 10 CCCE O=C(NCC1CCNCC1)c1ccc(O)c(O)c1 236559876 GRLWNQHXVOUTKT-UHFFFAOYSA-N 250.298 0.827 10 10 CCCE CN[C@H]1COC[C@@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1 90434694 UFLPIYBCWGIYFT-GJZGRUSLSA-N 291.395 0.945 10 10 CCCE Nc1ccc(CN2C[C@H]3[C@H](C2)OC[C@@H]3C(=O)O)cc1 1891506523 LOVWQZBDUPLECF-AGIUHOORSA-N 262.309 0.800 10 10 CCCE COc1cncc([C@@H](NCCN=[N+]=[N-])C(N)=O)c1 700036531 HZJIYYOLDQTZIM-SECBINFHSA-N 250.262 0.517 10 10 CCCE CCO[C@H]1CS(=O)(=O)C[C@H]1NCc1ccccc1O 711285733 GDNORUIOEPWQTH-YPMHNXCESA-N 285.365 0.684 10 10 CCCE Nc1ccc(CCC(=O)N2CC[C@H](O)[C@@H](O)C2)cc1 1857640453 PKJAUHUGWMOZIN-STQMWFEESA-N 264.325 0.156 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3C[C@@H]4COC[C@@H]43)cc21 2129807987 HQSNVDTWFIWVDC-OXHMUOHRSA-N 259.309 0.498 10 10 CCCE C[C@H](Oc1ccc(N)cc1)C(=O)N1CCN(C)CC1 41356674 GDRGLEZIDZOBEG-NSHDSACASA-N 263.341 0.810 10 10 CCCE COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CN(C)C(=O)N2)c1 830541444 YBGDEHAOJUMZAZ-KCJUWKMLSA-N 293.323 0.602 10 10 CCCE O=C1N=C(N2CCOCC2)S/C1=C\c1cn[nH]c1 751521444 FYFYBKKKXJIIIY-UITAMQMPSA-N 264.310 0.712 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N3[C@H]4COC[C@H]3C4)cc21 1899613231 JZYUHISIKCEWCH-BREBYQMCSA-N 259.309 0.640 10 10 CCCE OCc1cc(F)c(N2C[C@H](O)C[C@@H]2CO)c(F)c1 698129774 NCKBROQOEQWVQV-RKDXNWHRSA-N 259.252 0.389 10 10 CCCE CC(=O)C(=O)[C@H](O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1881507475 BXFLNPRHFRHDCH-MWLCHTKSSA-N 271.313 0.762 10 10 CCCE Cn1nccc1CC(=O)OCC(=O)c1ccc(O)c(O)c1 785011452 YYLSBVIYXXUDAW-UHFFFAOYSA-N 290.275 0.800 10 10 CCCE CN(CC(=O)O)C[C@H]1NCCc2cccc(O)c21 83660282 XPNHUTDUGKBOPP-SNVBAGLBSA-N 250.298 0.595 10 10 CCCE CN(Cc1ncc[nH]1)S(=O)(=O)Cc1ccc(N)cc1 80511337 XULZDTDCEULQPY-UHFFFAOYSA-N 280.353 0.954 10 10 CCCE CC1(C)[C@@H](N)CCN1C(=O)Cc1ccc(O)c(O)c1 2119879873 RIOTYVGQIIRWJJ-LBPRGKRZSA-N 264.325 0.979 10 10 CCCE CNCc1ccc(N2CC[C@@]3(CNC(=O)N3)C2)cc1 2121213319 ILTRMXSHHQKHEJ-CQSZACIVSA-N 260.341 0.668 10 10 CCCE CN1CCN(c2ccc3c(c2)CC[C@H]3N)[C@@H](CO)C1 2128312336 GSKDUEZARXGRKT-UKRRQHHQSA-N 261.369 0.745 10 10 CCCE Cn1nc(C(=O)O)cc1C(=O)Nc1ccc(N)cc1 2129354446 PYIXCJCMNLDAKW-UHFFFAOYSA-N 260.253 0.953 10 10 CCCE CN1C[C@H](N(C)C(=O)Nc2ccc(N)cc2)CC1=O 2131961850 XOTGEEZBTGZKFD-LLVKDONJSA-N 262.313 0.963 10 10 CCCE COc1cc(N)c(N2CCS(=O)(=O)CC2)cc1OC 213481924 VDWUYVSHGIWGNP-UHFFFAOYSA-N 286.353 0.521 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN(C(=O)[C@H]2COCCO2)C1 1912143580 IAVWXTITNMEPOL-NXEZZACHSA-N 254.290 0.951 10 10 CCCE CC(C)N1C[C@@H](C(=O)N2CC(N=[N+]=[N-])C2)CC1=O 1912180480 BITPGTMIPKOASF-QMMMGPOBSA-N 251.290 0.764 10 10 CCCE [N-]=[N+]=N[C@@H]1CCN(S(=O)(=O)N2C[C@H]3CC[C@H]3C2)C1 1912197283 RBDNTRMFQWHVTR-KXUCPTDWSA-N 271.346 0.958 10 10 CCCE C[C@H]1[C@H](O)CCN1S(=O)(=O)Cc1ccc(N)cc1 1914437329 NBNUPYOIOGTHSE-JOYOIKCWSA-N 270.354 0.554 10 10 CCCE CC(=O)NCCN[C@H](C(=O)O)c1cc(Cl)ccc1O 211828709 BXOLHCDJPOLNBZ-NSHDSACASA-N 286.715 0.897 10 10 CCCE C[C@H]1OC(=O)N[C@@H]1C(=O)NCc1cc(O)ccc1O 1455356025 GMKWJCLUUQXILN-LDWIPMOCSA-N 266.253 0.211 10 10 CCCE COc1ccc(N2CC(=O)N[C@@H](CC(=O)O)C2)cc1 217063467 LGRJIGZRRPUSIX-VIFPVBQESA-N 264.281 0.475 10 10 CCCE C[C@@]1(O)CN(c2c(F)cc(CO)cc2F)CC[C@H]1O 2136879296 PAUZYAJBUUBUSI-DGCLKSJQSA-N 273.279 0.779 10 10 CCCE COC(=O)[C@@H](O)CCNC(=O)/C=C\c1ccc(O)c(O)c1 1558863152 GVWQXYOJNZWEAK-MZBZXASESA-N 295.291 0.151 10 10 CCCE CN(C)C(=O)/C=C\C(=O)NCc1c(O)cccc1F 1596917077 UZSNFHZXRFEYNG-SREVYHEPSA-N 266.272 0.792 10 10 CCCE O=C(N[C@@H]1CCCC[C@H]1CO)c1cc(O)nc(O)c1 231360885 RDSBRJMHQDPTKI-WCBMZHEXSA-N 266.297 0.774 10 10 CCCE COc1cc(N2C[C@@H](O)C[C@]2(C)CO)ccc1CN 2139685381 QHMKQGDIEQVIER-GXTWGEPZSA-N 266.341 0.476 10 10 CCCE CCN1CCO[C@H](CNC(=O)COc2ccc(N)cc2)C1 165740199 ZWQDFCWQDHZVPY-CQSZACIVSA-N 293.367 0.485 10 10 CCCE Nc1ccc(CS(=O)(=O)NCCCn2ccnn2)cc1 126111799 VYEGWJUCEKTSHC-UHFFFAOYSA-N 295.368 0.370 10 10 CCCE CCN(CC)C(=O)CNCc1ccc(O)c(O)c1O 233457126 ZXGMQWXVZSHLQB-UHFFFAOYSA-N 268.313 0.761 10 10 CCCE C[C@H](N)c1nc(NC(=O)Cc2ccc(N)cc2)n[nH]1 1876423260 KVFWEBYTWOIGIS-ZETCQYMHSA-N 260.301 0.588 10 10 CCCE NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)COc1ccc(N)cc1 1905414838 LICHVHSJQWGCQS-TVYUQYBPSA-N 261.325 0.453 10 10 CCCE CN1CCN(C(=O)CCOc2ccc(N)cc2)CC1 40292224 BWPNEAZKMABDSF-UHFFFAOYSA-N 263.341 0.812 10 10 CCCE CC1(C)CN(C(=O)Cc2ccc(O)c(O)c2)[C@@H]1C(=O)O 2144026544 JRHXQFACDRTGAV-GFCCVEGCSA-N 279.292 0.962 10 10 CCCE CN1CC(=O)N(CCC(=O)Nc2ccc(N)cc2)C1=O 20295517 YMVBDLCIZZPJCE-UHFFFAOYSA-N 276.296 0.491 10 10 CCCE CO[C@]1(C(=O)NCCc2ccc(O)c(O)c2)CCNC1 2148019130 IAOANEQALUVGDM-CQSZACIVSA-N 280.324 0.135 10 10 CCCE CO[C@@H]1CN[C@@H](CNC(=O)Cc2ccc(O)c(O)c2)C1 1972316170 RSGMZJBOKHMVLF-MNOVXSKESA-N 280.324 0.133 10 10 CCCE Nc1ccc(CS(=O)(=O)NCCN2CCOC2=O)cc1 2146761829 DCWJABUQOFPWHD-UHFFFAOYSA-N 299.352 0.140 10 10 CCCE Nc1ccc(-n2ccc(C(=O)N[C@@H]3CCOC3)n2)cc1 161790455 FYZOITZITCBIMJ-LLVKDONJSA-N 272.308 0.973 10 10 CCCE CNC(=O)OC1CN(c2ccc(OC)cc2N)C1 2030282082 TUDCLZDQLAEZFW-UHFFFAOYSA-N 251.286 0.822 10 10 CCCE Cn1cnc(NS(=O)(=O)Cc2ccc(N)cc2)n1 2030336277 MBUOHFQWZGBLQT-UHFFFAOYSA-N 267.314 0.339 10 10 CCCE Nc1ccc(N2CCN(C[C@@H](O)CF)C2=O)cc1 2032669662 SFFXQPXOJULTLK-NSHDSACASA-N 253.277 0.841 10 10 CCCE COCCN1C[C@H](O)[C@H](N(C)c2ccc(CN)cc2)C1 2156968164 CRHADNGETIYFJB-CABCVRRESA-N 279.384 0.273 10 10 CCCE OCCOC1CN(c2c(F)cc(CO)cc2F)C1 2034842356 JFUWDMXGOMDOMH-UHFFFAOYSA-N 259.252 0.655 10 10 CCCE COC[C@H](NCc1ccc(F)c(F)c1O)C(N)=O 2034946809 HLQMMTLIIREIAF-QMMMGPOBSA-N 260.240 0.260 10 10 CCCE O=C(CNCc1ccc(O)c(O)c1)N1CCOCC1 311266731 GRLONWRISBYQKF-UHFFFAOYSA-N 266.297 0.046 10 10 CCCE CN1CC[C@H](N(C)S(=O)(=O)Cc2ccc(N)cc2)C1 311954469 MEHJXDDKIQOVOC-ZDUSSCGKSA-N 283.397 0.735 10 10 CCCE CN[C@H](C)c1ccc(N2CC(NS(C)(=O)=O)C2)cc1 703150001 CQTAQEMOVDYFBX-SNVBAGLBSA-N 283.397 0.705 10 10 CCCE CN[C@H](C)c1ccc(N2CC(NS(C)(=O)=O)C2)cc1O 703154373 AJRYNFBFVQJIIS-SECBINFHSA-N 299.396 0.410 10 10 CCCE COCCOC1CN(Cc2cc(N)ccc2O)C1 707612313 NODARYYYJUTMHO-UHFFFAOYSA-N 252.314 0.822 10 10 CCCE C[C@](C[C@H]1CCOC1)(NCCCN=[N+]=[N-])C(N)=O 709773880 PWWBSNCOUODZQE-MWLCHTKSSA-N 255.322 0.947 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CCC[C@H](CO)[C@H]1CO 709866920 JMZMNMLLVQDXOJ-GHMZBOCLSA-N 281.308 0.303 10 10 CCCE 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265.309 0.635 10 10 CCCE CCn1cc(S(=O)(=O)NCc2ccccc2O)nn1 2088135060 PJJUHJPTPCNYDM-UHFFFAOYSA-N 282.325 0.482 10 10 CCCE Cc1cc(N2CCOC[C@H]2[C@H](O)CO)ccc1CO 2090138909 NJXQYZNPXYLMKW-UONOGXRCSA-N 267.325 0.046 10 10 CCCE CN(C)[S@@](C)(=O)=NC[C@@H](O)COc1ccc(N)cc1 2111114076 YWIDTVDZMOVXSP-WYRIXSBYSA-N 287.385 0.583 10 10 CCCE CC1(C)CN(CC(=O)Nc2ccc(N)cc2)[C@@H]1CO 2092543036 WTQSRPORCADPRQ-GFCCVEGCSA-N 263.341 0.910 10 10 CCCE C[C@@]1(CO)CCN1c1cc2c(cc1F)[C@@H](O)C(=O)N2 2097246572 CELMUSPAHXFPGN-YPMHNXCESA-N 266.272 0.772 10 10 CCCE Cc1cc(N2CCN([C@@H](C)CO)CC2)ccc1CN 2113061913 MGBZTQSGAVBJCB-ZDUSSCGKSA-N 263.385 0.957 10 10 CCCE C[C@]1(CNCc2cc3c(cc2O)OCO3)CCNC1=O 2200826055 PXVLXPLSGUYFLQ-CQSZACIVSA-N 278.308 0.737 10 10 CCCE O=C(N[C@@H]1C[C@@]12C[C@H]2C(=O)O)c1ccc(O)c(O)c1 2268063969 VFJFBERYWVZZGE-JVQVWZCXSA-N 263.249 0.691 10 10 CCCE [N-]=[N+]=N[C@@H]1CCC[C@@H]1NC(=O)[C@H]1[C@@H]2CS(=O)(=O)C[C@@H]21 2225802280 YEFKQBGWLQIAKW-SQXHDICFSA-N 284.341 0.625 10 10 CCCE 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131504056 MOVQIMZVAGPAEU-AWEZNQCLSA-N 287.367 0.802 10 10 CCCE NCc1ccc(N2CC(C(N)=O)C2)c(Br)c1 381963042 HYKFYXOBCBATAA-UHFFFAOYSA-N 284.157 0.829 10 10 CCCE CN(CCS(C)(=O)=O)C(=O)Nc1ccc(N)cc1 94301990 IMOALETWFXPBAD-UHFFFAOYSA-N 271.342 0.777 10 10 CCCE NC(=O)CS(=O)(=O)CCCc1ccc(N)cc1 383839878 VASBKYMXLJMZJN-UHFFFAOYSA-N 256.327 0.102 10 10 CCCE C[C@@H](N)c1ccc(N2CCN(CC(N)=O)CC2)cc1O 723174314 AYJAQYQXLBFXIX-SNVBAGLBSA-N 278.356 0.019 10 10 CCCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H]1CCNC1=O 907276017 YMIKSERLFWNZPB-ONGXEEELSA-N 292.335 0.671 10 10 CCCE CNCc1ccc(N(C)Cc2nnn(C)n2)c(F)c1 1892993137 RDOGJRGXNKIUIF-UHFFFAOYSA-N 264.308 0.705 10 10 CCCE Nc1ccc(CCNC(=O)[C@H](N)C(F)(F)F)cc1 841848092 UVGGCWYVOWBNNF-VIFPVBQESA-N 261.247 0.817 10 10 CCCE O=C1C[C@@H](C(=O)NCc2cc(Br)ccc2O)N1 854442104 HBQBXFNGNZNXFA-QMMMGPOBSA-N 299.124 0.659 10 10 CCCE CN(C)c1ccc(CN2CCO[C@@H](CC(N)=O)C2)cc1F 862535635 UOVOVUJVRWRAKX-LBPRGKRZSA-N 295.358 0.968 10 10 CCCE CNC(=O)[C@@H](NC(=O)c1cc(O)cs1)C(C)C 772561054 BGWNEOPUKPXZIF-VIFPVBQESA-N 256.327 0.954 10 10 CCCE COC(=O)CCNC(=O)[C@@H](N)c1cc(C)ccc1O 83483774 MJQJZKLLDSDONF-LBPRGKRZSA-N 266.297 0.380 10 10 CCCE N[C@@H](C(=O)NCCCCCO)c1cccc(O)c1O 83497415 GNBONGSRRROZAN-LLVKDONJSA-N 268.313 0.376 10 10 CCCE C[C@H]1C[C@@H](NC(=O)c2cccc(O)c2O)CCS1(=O)=O 1597425128 KKFRFCVBJLUWCC-IUCAKERBSA-N 299.348 0.793 10 10 CCCE Nc1ccc(OCCNC(=O)[C@H]2COCCO2)cc1 55297566 BLSQDPKHHKMJKX-GFCCVEGCSA-N 266.297 0.179 10 10 CCCE COc1ccc(N2CCC[C@H](CO)[C@@H]2CO)c(N)c1 709804217 BDSIUUZHKKBVBO-YGRLFVJLSA-N 266.341 0.847 10 10 CCCE OCc1ccc(N2CCC[C@@H](CO)[C@H]2CO)cc1 710076415 ICTCXOJOSSCVBH-GXTWGEPZSA-N 251.326 0.749 10 10 CCCE COC(=O)CN(C)c1cc2c(cc1N)NC(=O)CC2 692352097 FEHWQZFDFZMGAF-UHFFFAOYSA-N 263.297 0.763 10 10 CCCE CN(C)C(=O)C(C)(C)NCc1ccc(O)c(O)c1O 698019527 WYTVVMLQXNSOPZ-UHFFFAOYSA-N 268.313 0.760 10 10 CCCE COCCN1C[C@H](O)[C@@H](N2CCC[C@@H]2CN=[N+]=[N-])C1 2123014252 FAZLKUFUVAZIPF-WOPDTQHZSA-N 269.349 0.453 10 10 CCCE CN(C)c1cc(F)c(CNC[C@](C)(O)CO)cc1F 1329729970 CZSCGGWBRZNVOJ-ZDUSSCGKSA-N 274.311 0.864 10 10 CCCE CN(C)c1ccc(CN[C@H]2CCO[C@H]2C(N)=O)cc1 2117461937 CMLQHMIJJNRUBA-QWHCGFSZSA-N 263.341 0.485 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)[C@H]1CNC[C@@H]1F 2120662397 BZQKZGWLLMHASF-UWVGGRQHSA-N 268.288 0.314 10 10 CCCE O=C(N[C@H]1CNCC(F)(F)C1)c1cccc(O)c1O 2127809041 CQFZNZOECZNDPZ-SSDOTTSWSA-N 272.251 0.825 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CCC[S@@](=O)CC1 2132348002 BKKWDDXVYHXHRN-LJQANCHMSA-N 285.321 0.398 10 10 CCCE CC1(C)[C@@H](O)[C@H](O)CN1c1ccc2c(c1)CC[C@H]2O 2128321199 HHNTYAPYNLYSPV-MCIONIFRSA-N 263.337 0.987 10 10 CCCE CN1C(=O)CO[C@H]2CCN(c3ccc(N)cc3)C[C@H]21 2129102447 IPRQSGZWKHHPEK-OLZOCXBDSA-N 261.325 0.705 10 10 CCCE NC[C@@]12C[C@H]1CN(C(=O)c1cc(O)c(O)c(O)c1)C2 2132420029 YQWLGPKPVWFQAW-ISVAXAHUSA-N 264.281 0.224 10 10 CCCE O=C(NC1CC2(CNC2)C1)c1cc(O)c(O)c(O)c1 2132411807 YDBKEISCHFDYJW-UHFFFAOYSA-N 264.281 0.285 10 10 CCCE NCCCC1(NC(=O)c2cc(O)c(O)c(O)c2)CC1 2132418132 HZFSQNWTRFHMHD-UHFFFAOYSA-N 266.297 0.805 10 10 CCCE Nc1ccc(NC(=O)N2CCNC(=O)C23CC3)cc1 2132040208 MRLYIFPKRACHOL-UHFFFAOYSA-N 260.297 0.765 10 10 CCCE Cn1nncc1S(=O)(=O)N1CCCC[C@H](CN=[N+]=[N-])C1 1912161747 MYCDXVUZOKRKOQ-SECBINFHSA-N 299.360 0.916 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN(S(=O)(=O)N2CC[C@H](O)C2)C1 1912159934 OMZDUYXHNRKVCY-ZJUUUORDSA-N 289.361 0.320 10 10 CCCE CN(C(=O)Cc1ccc(O)c(O)c1)[C@H]1CCCCNC1=O 1442759455 JVXOFVQIFZNMQB-NSHDSACASA-N 292.335 0.767 10 10 CCCE CN(CC1(CO)CC1)C(=O)COc1ccc(N)cc1 1915530212 HAOQHYDLXYXAAP-UHFFFAOYSA-N 264.325 0.879 10 10 CCCE CO[C@H](C(=O)NCc1c(O)cccc1O)[C@@H]1CCOC1 1456313836 IMNRIDYJGNXGDK-RNCFNFMXSA-N 281.308 0.766 10 10 CCCE CN(C)C[C@H]1CNCCN1c1ccc2c(c1)OCO2 216991911 FTGRZOXPNIPYLJ-GFCCVEGCSA-N 263.341 0.755 10 10 CCCE O=C1Nc2cc(N3CC[C@@](F)(CO)C3)c(F)cc2[C@@H]1O 1917136927 XVEUOJVZQLCLGX-AAEUAGOBSA-N 284.262 0.722 10 10 CCCE C[C@@H]1CN(c2ccc3c(c2)OCCO3)[C@H](CO)CN1 217093111 DLQMHLHGUVIMEQ-PWSUYJOCSA-N 264.325 0.617 10 10 CCCE NC(=O)C1[C@H]2CN(c3ccc4c(c3)CC[C@H]4N)C[C@H]12 2136611255 DSHOLQXUELJHPP-RWMBFGLXSA-N 257.337 0.800 10 10 CCCE N[C@@]1(C(=O)O)CCN(c2ccc3c(c2)OCO3)C1 259461614 XBZIGLKKVIMBIG-LBPRGKRZSA-N 250.254 0.408 10 10 CCCE O=C(CO[C@H]1CCOC1)NCc1cc(O)ccc1O 1633595213 MLYGBQXLEMTVQT-NSHDSACASA-N 267.281 0.520 10 10 CCCE O=C(NCc1c(O)cccc1F)c1nnc(O)nc1O 1652298942 VXKZYGCLFRWVHB-UHFFFAOYSA-N 280.215 0.058 10 10 CCCE C[C@H](NCc1ccc(O)cc1O)C(=O)N1CCOCC1 134636069 JKEWFNVCDWJIOS-JTQLQIEISA-N 280.324 0.435 10 10 CCCE CN1CCCc2c1ccc1c2C[C@](N)(C(=O)O)CO1 211937078 HFOIEDGBNNLZRZ-CQSZACIVSA-N 262.309 0.786 10 10 CCCE Nc1ccc(OCCC(=O)N2CCC[C@@H](N)C2)cc1 1876451816 SEUSZWPCZRJFTC-GFCCVEGCSA-N 263.341 0.987 10 10 CCCE CC1(N)CN(S(=O)(=O)CCOc2ccc(N)cc2)C1 1876533864 WVENESGKWAERSR-UHFFFAOYSA-N 285.369 0.010 10 10 CCCE CNC1CN(S(=O)(=O)N[C@@H](C)c2ccccc2O)C1 1877595486 JVIYZSBXCPZORD-VIFPVBQESA-N 285.369 0.191 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC[C@@H]2C[C@H](O)CC[C@H]21 2143970564 SHTDURIXGYPRMQ-FBIMIBRVSA-N 278.308 0.868 10 10 CCCE CS(=O)(=O)C1CN(c2ccc(CN)c(F)c2)C1 1946912161 UYAALTHHTIPQIH-UHFFFAOYSA-N 258.318 0.518 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CCC[C@H](CO)C3)ccc21 250012508 IEKGVIUECWHYPJ-ZANVPECISA-N 261.325 0.847 10 10 CCCE CC(C)CNC(=O)COC(=O)COc1ccc(N)cc1 41093688 FWXMKMBNOJPIPA-UHFFFAOYSA-N 280.324 0.963 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCNC[C@@H]1F 1971361886 LMEYLZKJDSJIIK-UWVGGRQHSA-N 268.288 0.457 10 10 CCCE NC(=O)CN(Cc1ccc(N)cc1)Cc1ccncn1 2145853344 OOVMDAHZHQFUHP-UHFFFAOYSA-N 271.324 0.546 10 10 CCCE C[C@H]1CO[C@@H](CO)CN1C(=O)COc1ccc(N)cc1 166943815 KGDFJSGUNZTSDQ-GXFFZTMASA-N 280.324 0.256 10 10 CCCE CN(C)c1ccc(C=CC(=O)N[C@H]2CONC2=O)cc1 2148977972 PNIUSXCIGSOJEG-LBPRGKRZSA-N 275.308 0.312 10 10 CCCE CN[C@@H]1CCN(C(=O)c2cccc(O)c2O)C[C@@H]1OC 2146721935 CCTXQYZPZVNGMI-PWSUYJOCSA-N 280.324 0.547 10 10 CCCE c1nc(CNCc2ccc(N3CCOCC3)cc2)n[nH]1 37919554 QTWJBEDVCWOLNY-UHFFFAOYSA-N 273.340 0.931 10 10 CCCE CC(C)(NC(=O)COc1ccc(N)cc1)c1nn[nH]n1 2151063117 GGRYIMMOTQMNFP-UHFFFAOYSA-N 276.300 0.212 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3C[C@@H](O)[C@H](O)C3)c(Cl)cc21 300189528 JRUMPORUHFZWAN-UTUOFQBUSA-N 297.742 0.094 10 10 CCCE C[C@H]1CN(C(=O)c2cccc(O)c2O)[C@@H]1C(=O)O 2038182118 UUSNQTYGNQUOQM-RCOVLWMOSA-N 251.238 0.643 10 10 CCCE CN(CCCO)S(=O)(=O)NCc1ccccc1O 2040033911 KZJMETAGFVYURZ-UHFFFAOYSA-N 274.342 0.041 10 10 CCCE CC(C)N1CCC[C@](NCCN=[N+]=[N-])(C(N)=O)C1 2040831342 DTBPYEFAJZZHCL-LLVKDONJSA-N 254.338 0.615 10 10 CCCE [N-]=[N+]=NCCN[C@H](C(N)=O)c1ccc(O)cc1F 404251850 KXUZTSMBJWVOJX-VIFPVBQESA-N 253.237 0.958 10 10 CCCE C[C@H](O)CN(C[C@H](C)O)C(=O)COc1ccc(N)cc1 2159728982 IHYITNXKBOCUMM-QWRGUYRKSA-N 282.340 0.238 10 10 CCCE O=C1NC(=O)[C@]2(CCN(c3ccc(CO)c(Cl)c3)C2)N1 2170607299 MJWXHMVDLRNPKM-CYBMUJFWSA-N 295.726 0.621 10 10 CCCE O=C1NC(=O)[C@@]2(CCN(Cc3c(O)cccc3F)C2)N1 2170620006 YJXXIQQBJDDBSQ-ZDUSSCGKSA-N 279.271 0.315 10 10 CCCE C[C@H](N[C@H]1CCOC[C@H]1O)c1c(O)cccc1O 706722301 DHVPWNGLQMCULB-HOTUBEGUSA-N 253.298 0.898 10 10 CCCE C[C@@H]1CNC[C@H]1CNC(=O)c1cccc(O)c1O 708575903 WKOCWTDOZWFVON-BDAKNGLRSA-N 250.298 0.683 10 10 CCCE CCCn1cc([C@@H](NCCN=[N+]=[N-])C(N)=O)nn1 714443086 RXDBYMTWUITHGO-MRVPVSSYSA-N 252.282 0.114 10 10 CCCE COc1ccc(N(CCO)CCCO)c([N+](=O)[O-])c1 385895739 WPGLLWYNZCFOIM-UHFFFAOYSA-N 270.285 0.785 10 10 CCCE CN(Cc1cnn(C)n1)c1ccc2c(c1)NC(=O)[C@@H]2O 2172408293 MYHWPBJCEXSXLY-GFCCVEGCSA-N 273.296 0.437 10 10 CCCE CCn1ncc(CN(C)C(=O)c2ccc(O)c(O)c2)n1 2172424051 KSAPXYZPDFQMCY-UHFFFAOYSA-N 276.296 0.981 10 10 CCCE C[C@@H](C(=O)Nc1ccc(N)cc1)N1CC([C@@H](C)O)C1 719756353 XCXPNBRKRSCHQN-VHSXEESVSA-N 263.341 0.908 10 10 CCCE O=C1N[C@H]2CN(c3ccc(CO)cc3[N+](=O)[O-])C[C@@H]2O1 2176929014 XBQRKYJWZUTJCN-KWQFWETISA-N 279.252 0.384 10 10 CCCE NCc1ccc(N2CC[C@@H](O)[C@@H](CO)C2)cc1Cl 396903692 YFHBNCGNKJPAJK-ZWNOBZJWSA-N 270.760 0.978 10 10 CCCE CC[C@H]1COCCN1C(=O)c1cnn2c(O)cc(C)nc12 2063755080 QQXSIWBUZSTZEG-JTQLQIEISA-N 290.323 0.994 10 10 CCCE CC[C@H]1CN(C(=O)c2cnn3c(O)cc(C)nc23)C[C@H]1O 2064081768 PFQIWILQCQAGKI-GXSJLCMTSA-N 290.323 0.586 10 10 CCCE COCC1(C(=O)O)CN(Cc2ccc(OC)cc2O)C1 2169140330 KLRNCZOIKPIAJK-UHFFFAOYSA-N 281.308 0.934 10 10 CCCE COc1cc(N)c(N2CCO[C@@H]3COC[C@H]32)cc1OC 2192664036 YIBKAPVOSQWCNP-BXUZGUMPSA-N 280.324 0.890 10 10 CCCE C[C@@]1(CNC(=O)c2cc(O)c(O)c(O)c2)COCCO1 2188918789 HSHKMLBRNMVBRA-CYBMUJFWSA-N 283.280 0.339 10 10 CCCE CON(C(=O)c1ccc(O)c(O)c1)[C@H]1CCOC1 2046217081 NSFZFYAGDIQTJF-VIFPVBQESA-N 253.254 0.890 10 10 CCCE COc1cc(C(=O)N[C@H]2C[C@@H](O)C2)cc(OC)n1 2048075570 XDCZYMRYRLIUIU-DTORHVGOSA-N 252.270 0.352 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)[C@@H]2CCNCC2(F)F)C1 2049784661 OTZFGRMPKGBLBR-CIUDSAMLSA-N 260.284 0.497 10 10 CCCE CCOC1(CO)CN(c2ccc(CN)c(F)c2)C1 2052823979 JMKPLGFETKORLG-UHFFFAOYSA-N 254.305 0.872 10 10 CCCE CN(C[C@H](O)COc1ccc(N)cc1)C[C@H]1CCN1C 2186456691 DUMBTQXUCDMYAC-KGLIPLIRSA-N 279.384 0.644 10 10 CCCE Nc1ccc(-n2ccc(C(=O)N[C@@H]3CCNC3)n2)cc1 2191746625 YGEWYZKLAQBARK-LLVKDONJSA-N 271.324 0.546 10 10 CCCE C[C@H](O)c1cc(F)c(N2C[C@H](O)[C@H](O)C2)c(F)c1 2074083396 RUURLFPKODMEIG-NRZXQICZSA-N 259.252 0.560 10 10 CCCE C[C@@](C[C@H]1CCCS1(=O)=O)(NCCN=[N+]=[N-])C(N)=O 2100545976 BTUNGUIYMTVGJN-SCZZXKLOSA-N 289.361 0.098 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N3CC(C)(CO)C3)cc21 2101059893 XPAWMDSCCPXOFP-LBPRGKRZSA-N 261.325 0.481 10 10 CCCE CNCc1ccc(N2C[C@H](O)[C@H]3COC[C@H]32)c(C)c1 2102179618 COTSYTYDBOKFJO-CFVMTHIKSA-N 262.353 0.910 10 10 CCCE COc1cccc(O)c1CNC(C)(C)c1nn[nH]n1 2104443396 YTTSJLVEIHSTCJ-UHFFFAOYSA-N 263.301 0.939 10 10 CCCE CN(C)c1ccc([C@H](O)[C@@H]2CN3CCN2CC3)cc1 2106790963 NQILLLYKGVKQFB-GJZGRUSLSA-N 261.369 0.786 10 10 CCCE CNC1(C(N)=O)CN([C@H](C)c2cc(C)ccc2O)C1 2109490710 IGPBCIKKDJVJFG-SNVBAGLBSA-N 263.341 0.521 10 10 CCCE C[C@H](NC(=O)Nc1ccc(N)cc1)C1CS(=O)(=O)C1 2089882395 YODCCOJNLOJCPA-QMMMGPOBSA-N 283.353 0.823 10 10 CCCE CS(=O)(=O)C1([C@H](O)[C@H](N)c2ccccc2O)CCC1 2110401556 GIAVLXMCNVXZGH-VXGBXAGGSA-N 285.365 0.720 10 10 CCCE O=C(NCCC[C@H]1CCCN1)c1cc(O)nc(O)c1 2095009859 PJNYRZSBAKGTSL-SNVBAGLBSA-N 265.313 0.755 10 10 CCCE CO[C@H]1CN(C)C[C@H]1NC(=O)c1cccc(O)c1O 2095431855 XKIXMSISHHDXBA-KOLCDFICSA-N 266.297 0.157 10 10 CCCE NC[C@@]12CCC[C@@H](CN1C(=O)c1cc(O)nc(O)c1)C2 2200731831 BIZXXTNZGUPMER-OTYXRUKQSA-N 277.324 0.836 10 10 CCCE Nc1ccc(CS(=O)(=O)NC[C@@]23CC[C@@H]2CNC3)cc1 2200866591 SYMFQPQKAXLPDH-OCCSQVGLSA-N 295.408 0.688 10 10 CCCE Cc1cc(N2CCN(C[C@@H](C)O)CC2)ccc1CN 2113859145 OYBYCXBLHJDOSJ-CYBMUJFWSA-N 263.385 0.957 10 10 CCCE COc1cc(N2C[C@H](CO)OCC23CC3)ccc1CO 2204537350 RYGQNZQXDNMZFG-CYBMUJFWSA-N 279.336 0.918 10 10 CCCE CO[C@@H]1CCNC[C@@H]1C(=O)NCc1cccc(C)c1O 2204619571 DFJORKVWBZVKRW-QWHCGFSZSA-N 278.352 0.941 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@H]2CC3(CCC3)[C@H]2O)cc1 2205600869 RFFMXGNVAJDHFC-STQMWFEESA-N 296.392 0.992 10 10 CCCE C[C@H](N)c1cc(F)c(N2C[C@H](O)[C@@H](O)[C@H]2CF)c(F)c1 2205611624 MHBHCGHDUBLHIW-SHGJWOQOSA-N 290.285 0.864 10 10 CCCE CCN(c1ccc(N)cc1)[C@H]1CC(CO)(CO)C[C@@H]1O 2206363442 XKXALYAAWDRYHA-KBPBESRZSA-N 280.368 0.589 10 10 CCCE Cn1cc(S(=O)(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])cn1 2218742103 PVFVCXLTDLOCLG-DTWKUNHWSA-N 270.318 0.930 10 10 CCCE COc1ccc(N2C[C@H](O)[C@H](O)C2)c(CNC2CC2)c1 2235966672 WJOHCKWATRBQRK-GASCZTMLSA-N 278.352 0.489 10 10 CCCE CC1(C)NC(=O)O[C@@H]1CNC(=O)Cc1ccc(N)cc1 2239290383 WULUDRBSAOVYQI-LLVKDONJSA-N 277.324 0.815 10 10 CCCE COc1ccc(N(C)C2(CC(=O)O)CNC2)cc1 2253397069 VHELLMATVNFAJK-UHFFFAOYSA-N 250.298 0.948 10 10 CCCE Cc1cc(N2C[C@@H](O)C[C@H](O)C2)ccc1[C@@H](C)N 2257468579 YJUKXLXJNJBPHG-WXHSDQCUSA-N 250.342 0.947 10 10 CCCE Cc1cc(N2CC[C@H]2[C@@H](O)CO)ccc1[C@H](C)N 2258354721 ZIQHBJNISYMVIT-BPNCWPANSA-N 250.342 0.947 10 10 CCCE Nc1ccc(CS(=O)(=O)NC[C@H]2CC[C@@H]2N)cc1 2259352514 UPLHGAQNNIKPQK-PWSUYJOCSA-N 269.370 0.426 10 10 CCCE Nc1ccc(CCC(=O)N2CC[C@@H]2[C@@H](O)CO)cc1 2270710989 UMGHTUQQUMKXGH-OLZOCXBDSA-N 264.325 0.156 10 10 CCCE N=C(NO)c1cnc(Sc2nnc3nc[nH]n23)s1 2264161713 BZQSUFXFDSMQQC-UHFFFAOYSA-N 282.314 0.364 10 10 CCCE Cc1cc(N2CC(=O)NC(=O)[C@@H]2C)ccc1[C@@H](C)N 2269663179 WCFJJGANRHGEMJ-ZJUUUORDSA-N 261.325 0.866 10 10 CCCE CSc1cc(N2CCNC(=O)C2)ccc1CN 2308070730 YVXFSVRXRQYMOK-UHFFFAOYSA-N 251.355 0.803 10 10 CCCE Cn1cnnc1CN1CCc2cc(O)c(O)cc2C1 2341216112 HRCSTIRYYDRAIZ-UHFFFAOYSA-N 260.297 0.785 10 10 CCCE CN(Cc1ccccc1O)[C@@]1(C(=O)O)COC[C@H]1N 2347721980 AXFLBDYCWDJVPG-YPMHNXCESA-N 266.297 0.005 10 10 CCCE NCc1ccc(N2CCC(C(N)=O)CC2)c(F)c1 20469672 HTGGTFLOSCRRKP-UHFFFAOYSA-N 251.305 0.986 10 10 CCCE C[C@@H](CCNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1)C(=O)O 128959870 TXBAHEXVLZLXDA-WPRPVWTQSA-N 296.323 0.195 10 10 CCCE CN(Cc1ccccc1O)S(=O)(=O)c1cn[nH]c1 37840870 WKOLYOLGZUAAAM-UHFFFAOYSA-N 267.310 0.936 10 10 CCCE CCN(CC(=O)O)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 38017318 KOMHCGAKFPCISB-UHFFFAOYSA-N 295.251 0.837 10 10 CCCE COC(=O)NS(=O)(=O)NCCCCN=[N+]=[N-] 231733410 IEPKKNPCXNYPTH-UHFFFAOYSA-N 251.268 0.267 10 10 CCCE O=C(c1cccc(O)c1O)N1CCO[C@]2(CCOC2)C1 280567215 VLNIHCNRHFSEMO-CQSZACIVSA-N 279.292 0.729 10 10 CCCE Nc1ccc(OCC(=O)NCC2(O)CCC2)cc1 127266873 VMEXWRVDOXTQRL-UHFFFAOYSA-N 250.298 0.679 10 10 CCCE CCN(CCO)CCNC(=O)/C=C/c1ccc(O)c(O)c1 183928150 BFQQBSZZFWMCNO-GQCTYLIASA-N 294.351 0.541 10 10 CCCE C[C@@H]1NCCC[C@H]1NC(=O)c1cc(O)nc(O)c1 229586240 IBRBFTSSBSTOFM-IONNQARKSA-N 251.286 0.363 10 10 CCCE Cc1n[nH]c(C(=O)NCCOc2ccc(N)cc2)n1 95045755 ZVDLRJMVDSBGIR-UHFFFAOYSA-N 261.285 0.504 10 10 CCCE CCC(CO)(CO)N[C@H](C)c1c(O)cccc1O 232894346 ZXAUILIQNHZVMJ-SECBINFHSA-N 255.314 0.882 10 10 CCCE CN(CCS(=O)(=O)N(C)C)c1ccc(CN)cc1 385173009 PHDFLVZSXOQJRJ-UHFFFAOYSA-N 271.386 0.473 10 10 CCCE CC(=O)C(=O)COC(=O)[C@@H]1CCCCN1C(C)=O 808528900 UABZFBJEYXCQKU-JTQLQIEISA-N 255.270 0.089 10 10 CCCE O=C(N[C@@H]1CCn2ncnc2C1)c1ccc(O)c(O)c1 2165276205 IJUKVQKNPAVADT-SECBINFHSA-N 274.280 0.434 10 10 CCCE CC(C)[C@@](C)(NC(=O)c1ccc(O)c(O)c1)C(N)=O 382300812 OVILUXZPXCSJNR-CYBMUJFWSA-N 266.297 0.728 10 10 CCCE CC(=O)C(=O)COC(=O)c1cccc2c1OCO2 808506000 BMXYPCXMGOEOTM-UHFFFAOYSA-N 250.206 0.730 10 10 CCCE CCN1CCc2cc([C@H](Cn3cnnn3)NN)ccc21 2163156008 KYHFXVUIGMGBLO-LBPRGKRZSA-N 273.344 0.260 10 10 CCCE N[C@@H](c1ccc(Br)cc1O)[C@@H](O)CO 713720039 FSYANAWZXIFPRI-IUCAKERBSA-N 262.103 0.508 10 10 CCCE CC(=O)C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCOC1 1952438416 JLONRMPCGPCERU-GFCCVEGCSA-N 257.286 0.828 10 10 CCCE CN(CCS(C)(=O)=O)c1ccc2c(c1)N(C)C(=O)[C@H]2N 131409616 ILCAUTOMSSMPER-LBPRGKRZSA-N 297.380 0.144 10 10 CCCE COc1ccc(N2CC[C@@H](NC(=O)N[C@H](C)CN)C2)cc1 851663154 UWHARTIGDXLTFU-VXGBXAGGSA-N 292.383 0.920 10 10 CCCE COC[C@@](C)(CO)NC(=O)/C=C/c1ccc(O)c(O)c1 768450615 GURLXLBLKIJVMV-YVARQFDVSA-N 281.308 0.625 10 10 CCCE C[C@H]1CCN1C(=O)C(=O)N(C)Cc1ccccc1O 1353045660 FNEICDTVWKBTGL-JTQLQIEISA-N 262.309 0.971 10 10 CCCE CCN(CC)c1ccc(CNC(=O)CN)c(O)c1 83385158 DEPRURHHCDFYMA-UHFFFAOYSA-N 251.330 0.813 10 10 CCCE N[C@H](c1nnc(-c2nc[nH]n2)o1)c1cc(F)ccc1O 83546472 CCGDLJUOYBQOGR-QMMMGPOBSA-N 276.231 0.748 10 10 CCCE C[C@@H](C(=O)O)c1nnc([C@@H](N)c2cccc(O)c2O)o1 83588057 QRHQPSWHNHUHSP-XRGYYRRGSA-N 279.252 0.717 10 10 CCCE CN(C)C[C@H](O)CNC(=O)CCc1ccc(N)cc1 717391821 CJLIBEGYFSQCHQ-CYBMUJFWSA-N 265.357 0.240 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1C[C@H]2CCC[C@H]21 706859692 VCQKSBGGUYFWDT-GRYCIOLGSA-N 276.336 0.979 10 10 CCCE Oc1cccc(Br)c1CNCc1nn[nH]n1 706853842 AWERTJOSYKTXGV-UHFFFAOYSA-N 284.117 0.958 10 10 CCCE C[C@H](O)C1CN(c2cc3c(cc2F)[C@@H](O)C(=O)N3)C1 719868207 NSSQSNAELGDCBA-PWCHPLFNSA-N 266.272 0.628 10 10 CCCE O=C1N=C(N2CCOCC2)S/C1=C\c1cocn1 790216032 SGFRKMRLUFKRHL-UITAMQMPSA-N 265.294 0.977 10 10 CCCE COC(=O)C1(O)CN(CCc2ccc(N)cc2)C1 714493795 PIGQFTCVQOEBIN-UHFFFAOYSA-N 250.298 0.031 10 10 CCCE NC(=O)c1csc(CNC(=O)c2cc(O)cs2)n1 1147808536 AZVZHVJYRNLGOX-UHFFFAOYSA-N 283.334 0.939 10 10 CCCE Cc1cc(N2C[C@@H](O)C[C@@]2(C)CO)ccc1CN 698199847 QHXHKTCFUMDRRQ-KBPBESRZSA-N 250.342 0.776 10 10 CCCE COc1cccc(CN2CC[C@@H](CO)[C@@H](N)C2)c1O 2122337513 YJLAJKJJPGERIZ-RYUDHWBXSA-N 266.341 0.542 10 10 CCCE C[C@@H](O)c1ccc(N2[C@H]3CC[C@H]2C(=O)NC3)cc1O 2115749462 KIWBLYZVNLYNQZ-QRTLGDNMSA-N 262.309 0.913 10 10 CCCE OCc1ccc(N2CC3(C2)OC[C@@H](O)[C@@H]3O)c(Cl)c1 2127262721 CYVCTKKOBVUTQD-NEPJUHHUSA-N 285.727 0.143 10 10 CCCE N[C@H]1CCCc2cc(N3C[C@@H](O)C[C@@H]3CO)ccc21 2128270459 GAYCPBZECAQQGL-IPYPFGDCSA-N 262.353 0.955 10 10 CCCE C[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)[C@H]1C(=O)O 2132349060 XURUDOZSLRCNJM-MLUIRONXSA-N 267.237 0.349 10 10 CCCE NC[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)CCS1 2132419245 RDQNEYWMHPREQG-MRVPVSSYSA-N 284.337 0.320 10 10 CCCE [N-]=[N+]=NC1CN(C(=O)CS[C@@H]2CCS(=O)(=O)C2)C1 1912144681 WXVNVYIIVOCAGA-MRVPVSSYSA-N 290.370 0.428 10 10 CCCE CC(=O)NCCNC(=O)CN1CCC[C@@H](CN=[N+]=[N-])C1 1912201598 WNRHKEXQPZIOHP-NSHDSACASA-N 282.348 0.261 10 10 CCCE CN(CC1(CO)CC1)c1ccc2c(c1)N(C)C(=O)[C@H]2N 1915529983 BOYQAUQJNOJDEH-ZDUSSCGKSA-N 275.352 0.872 10 10 CCCE COc1ccc(N2[C@@H](CO)C(=O)N(C)C[C@H]2C)cc1 217094030 FRCYJCGTXAHQDE-MFKMUULPSA-N 264.325 0.723 10 10 CCCE COc1ccc(N2CC[C@@H](C)NC(=O)[C@H]2CO)cc1 217098474 UKPVRKUOSDUWAS-ZWNOBZJWSA-N 264.325 0.771 10 10 CCCE CN(c1cc2c(cc1F)[C@H](O)C(=O)N2)C1COC1 1915700653 ZIYCNYKUNIRTCO-NSHDSACASA-N 252.245 0.646 10 10 CCCE COC[C@@](C)(O)C(=O)NCc1c(O)cccc1O 1456235823 OOYAHOMBXSNFHT-GFCCVEGCSA-N 255.270 0.111 10 10 CCCE CS(=O)(=O)Nc1ccc(O)c(C(=O)NC2CC(=O)C2)c1 1556733075 HRDGUFFGGQYLDA-UHFFFAOYSA-N 298.320 0.225 10 10 CCCE Cn1cncc1[C@H](CO)NC(=O)c1cccc(O)c1O 1642422403 SMVBVCGFUUPJJN-VIFPVBQESA-N 277.280 0.295 10 10 CCCE COc1ccc(CNC(=O)NC[C@@H]2CNC(=O)C2)c(O)c1 1673642512 MXNVILOKBLMMNY-VIFPVBQESA-N 293.323 0.336 10 10 CCCE CNCc1ccc(N2CC(=O)N[C@@H](C)C2)cc1OC 2139700820 OOCQQPRFLYNFPH-JTQLQIEISA-N 263.341 0.739 10 10 CCCE COCCNC(=O)[C@@H](C)NCc1ccc(F)cc1O 2139883136 TXBSGQZRPMGBSZ-SECBINFHSA-N 270.304 0.772 10 10 CCCE NC(=O)Cn1cc(NCc2ccc(F)cc2O)cn1 2139885593 SCBFOXJEXUGUKN-UHFFFAOYSA-N 264.260 0.825 10 10 CCCE Cc1cc(=O)n(C)c2c1C(=O)c1c(C)cc(=O)n(C)c1C2=O 3818795 FUHFHTKNERQJIU-UHFFFAOYSA-N 298.298 0.476 10 10 CCCE CS(=O)(=O)[C@H]1COC[C@H]1NCc1ccc(F)cc1O 2142469656 ASVDOFWQSMVVOY-PWSUYJOCSA-N 289.328 0.433 10 10 CCCE COc1cc(N)c(N(C)[C@H]2[C@@H]3CNC[C@@H]32)cc1OC 1876265875 PCYNMHYPQFRUKF-QRJZZWFUSA-N 263.341 0.940 10 10 CCCE C[C@H](O)c1cc(F)c(N2CC(=O)NC(=O)C2)c(F)c1 1880491214 UTPAQCKZPIODBD-LURJTMIESA-N 270.235 0.481 10 10 CCCE CN(C(=O)c1cccc(O)c1O)[C@H]1CCCNC1=O 1963323594 FTXACRUKCJQMIN-VIFPVBQESA-N 264.281 0.448 10 10 CCCE [N-]=[N+]=NCCCCNC(=O)[C@@H]1CO[C@H]2COC[C@@H]12 1964943118 LPXOYPJKVRTZKB-AEJSXWLSSA-N 254.290 0.855 10 10 CCCE CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](N)[C@@H](C)O 1966786332 NWMSEEHDWVPTLY-RISCZKNCSA-N 279.384 0.809 10 10 CCCE CCN[C@H](C)C(=O)NCCc1ccc(O)c(O)c1 1968739029 JRSGKWXWSSCFSJ-SECBINFHSA-N 252.314 0.755 10 10 CCCE C[C@H]1NCCN(C(=O)Cc2ccc(O)c(O)c2)[C@@H]1C 1971297219 HZFPYVJAAFMDNH-NXEZZACHSA-N 264.325 0.849 10 10 CCCE O=C(NCc1cnsn1)c1ccc(O)c(O)c1 2002061505 SVRYXQQDLLACJM-UHFFFAOYSA-N 251.267 0.879 10 10 CCCE COC(=O)[C@@H](NCCN=[N+]=[N-])c1c(C)nn(C)c1OC 158483178 HLDSSDLGJJWIBF-VIFPVBQESA-N 282.304 0.851 10 10 CCCE NC(=O)C1(N)CN(Cc2cc(Cl)ccc2O)C1 2001279152 BICXKSKBIXDYCV-UHFFFAOYSA-N 255.705 0.044 10 10 CCCE CN(C)C(=O)[C@H]1COCCN1CCc1ccc(N)cc1 2155017086 NPQAYLAZZCPLNV-CQSZACIVSA-N 277.368 0.600 10 10 CCCE CNC(=O)OC1CN(c2ccc(CO)cc2F)C1 2030281709 QKXXWNMTVZGOQU-UHFFFAOYSA-N 254.261 0.863 10 10 CCCE C[C@@H]1CCNCCN1C(=O)c1ccc(O)c(O)c1 2035738286 TVWJKERAUDJUCV-SECBINFHSA-N 250.298 0.922 10 10 CCCE CN(C)c1ccc(CNCCN2C(=O)CCC2=O)cc1 73005317 JYXHWZVSFPLZAQ-UHFFFAOYSA-N 275.352 0.991 10 10 CCCE NCc1cc(F)c(N2CCN3C[C@@H](O)C[C@H]3C2)c(F)c1 405255028 KDSMGAXYHUXWRT-QWRGUYRKSA-N 283.322 0.679 10 10 CCCE Nc1ccc(CC(=O)N2CCN3C[C@@H](O)C[C@H]3C2)cc1 405330440 WNJBYFRDTFLIFB-KBPBESRZSA-N 275.352 0.089 10 10 CCCE CC[C@](C)(NC(=O)[C@@H]1CNc2ccccc2N1)C(N)=O 312263400 OWMIAPFCZLWGMO-FZMZJTMJSA-N 276.340 0.663 10 10 CCCE COC(=O)[C@H](O)COc1ccc(N2CCNCC2)cc1 312860916 XJCUAWQIMSZWMM-CYBMUJFWSA-N 280.324 0.009 10 10 CCCE Cc1cc(CN)ccc1N1CC(NS(C)(=O)=O)C1 703013863 DOHBPKZHLBDLBW-UHFFFAOYSA-N 269.370 0.192 10 10 CCCE NC[C@@]12CC[C@@H](CN(C(=O)c3cc(O)nc(O)c3)C1)C2 2176938040 XBAFKEXTTLWQJO-OTYXRUKQSA-N 277.324 0.694 10 10 CCCE Nc1ccc(OCC(=O)NCC2[C@@H]3COC[C@@H]23)cc1 385625456 JQTYRUHSTLODIU-STQMWFEESA-N 262.309 0.656 10 10 CCCE COc1cc(N)c(N2CC(C(=O)N(C)C)C2)cc1OC 2177535780 KRGMRHKEFHZEEI-UHFFFAOYSA-N 279.340 0.810 10 10 CCCE COC(=O)[C@@H](C1CC1)S(=O)(=O)NCc1ccc(N)cc1 2167066394 YEQPDUBWIVYBMX-GFCCVEGCSA-N 298.364 0.640 10 10 CCCE C[P@]1(=O)C[C@H](O)[C@@H](NC(=O)COc2ccc(N)cc2)C1 2177850220 QFLXZWBATZTYOG-JOOBJXAISA-N 298.279 0.500 10 10 CCCE CN(C[C@H]1[C@@H]2COC[C@@H]21)c1ccc2c(c1)NC(=O)[C@H]2N 2174643583 MQYGULOFCMIWRR-FMSGJZPZSA-N 273.336 0.967 10 10 CCCE COCCn1nnnc1CNCc1cc(Cl)ccc1O 2169374502 IHMQBRUCHKFWNM-UHFFFAOYSA-N 297.746 0.968 10 10 CCCE C[C@@H](O)CN1CCN(c2c(F)cc(CO)cc2F)CC1 2170227110 YFAXQFVKQPQQOX-SNVBAGLBSA-N 286.322 0.960 10 10 CCCE CO[C@H]1C[C@H](O)CN(c2ccc(CO)c([N+](=O)[O-])c2)C1 2188574398 AKDNGLXRMOBSQH-RYUDHWBXSA-N 282.296 0.673 10 10 CCCE CCOC1(CO)CN(c2ccc(CNC)cc2)C1 2052828283 KZVBOFZXPARAPE-UHFFFAOYSA-N 250.342 0.994 10 10 CCCE Cc1cc(N2CC[C@@H]3OCC(=O)N[C@@H]3C2)ccc1CO 2185523743 YNSBSNXVXNJKLX-KGLIPLIRSA-N 276.336 0.581 10 10 CCCE C[C@H](c1ccc(O)cc1O)N1C[C@H](O)C[C@H]1CN 2060808183 UOJKHRAIADGWHT-WCABBAIRSA-N 252.314 0.553 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC[C@H]3CNC[C@H]3C2)cc1 2191790166 DCKCLGUNNBOQAU-STQMWFEESA-N 295.408 0.640 10 10 CCCE CN(Cc1nnn(C)n1)c1ccc(CO)cc1F 2077211376 WWAZSHXRLLVMPC-UHFFFAOYSA-N 251.265 0.478 10 10 CCCE C[C@@H](Nc1c(N)cccc1C(N)=O)[C@H]1COCCO1 2103724039 JLCIMQPDXNRCSK-LDYMZIIASA-N 265.313 0.584 10 10 CCCE CN(C)c1ccc([C@@H](NN)c2cnn(C)c2N)cc1 2106858410 WOUHRYQJUYZZOG-GFCCVEGCSA-N 260.345 0.621 10 10 CCCE NCc1ccc(N2CC[C@@H]3CC(=O)N[C@H]3C2)cc1F 2088802872 BUCKIYOONRTIID-RNCFNFMXSA-N 263.316 0.999 10 10 CCCE C[C@]1(C(=O)NCCc2ccc(O)c(O)c2)CCNC1 2091749219 WOMGWHSUNFLPLJ-AWEZNQCLSA-N 264.325 0.756 10 10 CCCE CC[C@@H](CN)S(=O)(=O)NCCc1ccc(O)c(O)c1 2091755739 PKNAQWOSUUIFII-JTQLQIEISA-N 288.369 0.297 10 10 CCCE CN(CC(CO)CO)c1ccc(CNC2CC2)cc1 2094031130 RUFQOSFXNGWAKT-UHFFFAOYSA-N 264.369 0.976 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC2CC1C2 2095416351 YHNSWHMRYUQSQI-ILDUYXDCSA-N 262.309 0.588 10 10 CCCE Nc1ccc(NC(=O)CN2CC[C@@H](O)C[C@H]2CO)cc1 2200829954 ZKFJOJRULPRUKP-QWHCGFSZSA-N 279.340 0.025 10 10 CCCE C[C@H](O)[C@H](N)C(=O)N(C)Cc1ccc(N(C)C)cc1 2118515217 KEQLKSKXBVFXAD-GWCFXTLKSA-N 265.357 0.419 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CC[C@@]2(C[C@H](O)CO2)C1 2201754498 KGKMRAAONDQNSF-IINYFYTJSA-N 279.292 0.464 10 10 CCCE OCC1(O)CC(NCc2ccc3c(c2)CCCO3)C1 2269157058 DTFUFOCVIKMBHJ-UHFFFAOYSA-N 263.337 0.987 10 10 CCCE CS[C@@H](C)[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)O 2207068520 RNQDIUFZOHKJDP-JVXZTZIISA-N 299.348 0.961 10 10 CCCE Oc1ccc(CN[C@@H]2CCC[C@@H](O)[C@H]2O)cc1O 2217641915 JJVOYMBATNZKAI-XWIASGKRSA-N 253.298 0.462 10 10 CCCE [N-]=[N+]=N[C@@H]1CCN(C(=O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)C1 2234170814 HAKRYCLBOHBBBT-IGORNWKESA-N 278.268 0.552 10 10 CCCE COc1ccc(N2C[C@H](CO)C[C@@H](CO)C2)c(CN)c1 2236638040 YAFLABJPHNAWCJ-VXGBXAGGSA-N 280.368 0.581 10 10 CCCE O[C@@H]1COC2(CN(c3ccc(OCF)cc3)C2)[C@@H]1O 2278526019 JQRJASDABUOSFA-VXGBXAGGSA-N 269.272 0.303 10 10 CCCE COc1ccc(N2C[C@@H]3OC[C@H](CO)O[C@H]3C2)c(N)c1 2279881410 LFVMTJCDYLAAQE-BPNCWPANSA-N 280.324 0.242 10 10 CCCE COc1cc(C)c(N2C[C@@H](N)C[C@H](C(N)=O)C2)c(C)c1 2285050488 XNYFMRQRZKXUMX-RYUDHWBXSA-N 277.368 0.951 10 10 CCCE C[C@@H]1C[C@H](CC(=O)O)CN1C(=O)c1cc(O)nc(O)c1 2285425498 ZQYPWZOFZSPOGG-HTQZYQBOSA-N 280.280 0.818 10 10 CCCE COc1cc(OC)c(N(CCN)C[C@H](C)O)cc1OC 2289368369 ZQKPWCARBCORRM-JTQLQIEISA-N 284.356 0.858 10 10 CCCE CC[C@H](N)c1ccc(N2CC3(CNC(=O)CO3)C2)cc1 2289733266 MHWGOSGPQSJXGO-ZDUSSCGKSA-N 275.352 0.802 10 10 CCCE CSc1ncc(CNC2(C(=O)O)CC(N)C2)s1 2305069804 PSNKFCLKOITUNB-UHFFFAOYSA-N 273.383 0.899 10 10 CCCE CNCc1ccc(N2[C@H]3CC[C@@H]2C[C@H](O)[C@@H]3O)cc1 2331971125 QSTKYFRVEMGQES-CBBWQLFWSA-N 262.353 0.869 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3C[C@@H]4COCC[C@@H]43)ccc21 2332198637 RKLHMMMFOSPKBN-OXHMUOHRSA-N 259.309 0.864 10 10 CCCE CN1C(=O)[C@@H](O)c2ccc(N3CCN(C)[C@@H]4C[C@@H]43)cc21 2355079533 BFDKNSBMNGGOTR-RDBSUJKOSA-N 273.336 0.589 10 10 CCCE Nc1ccc(CC(=O)N2C[C@@H]3C[C@H]2[C@H](O)[C@H](O)C3)cc1 2355345909 LIGVFKVWLFORJB-ZRQNBYAXSA-N 276.336 0.154 10 10 CCCE CC(=O)N1CCN(C[C@@H](O)COc2ccc(N)cc2)CC1 36670024 TWWNLBMODZRVBP-CQSZACIVSA-N 293.367 0.173 10 10 CCCE CCOC(=O)[C@@]1(NCCN=[N+]=[N-])CCN2CC[C@H]1C2 252977160 ZATPBRFOMDKUQS-CMPLNLGQSA-N 267.333 0.914 10 10 CCCE CN(C)C[C@H]1C[C@@H](O)CN1c1ccc(CN)cc1F 97244495 MCAXBCZEUVWRNU-VXGBXAGGSA-N 267.348 0.786 10 10 CCCE COc1cc(C)c2c(c1)C(=O)NCCN2CCCN 527431173 XSBUXHRAYIEBCU-UHFFFAOYSA-N 263.341 0.902 10 10 CCCE CN(C)c1ccc([C@H](O)[C@@]2(C(=O)O)C[C@H](F)CN2)cc1 2164755719 VQWXWKKQDUUTTR-VHRBIJSZSA-N 282.315 0.941 10 10 CCCE CC(=O)C(=O)COC(=O)[C@@H](C)OC[C@H]1CCCCO1 808508767 INMNDUBCLGBMKO-GHMZBOCLSA-N 272.297 0.662 10 10 CCCE CN(C)C(=O)[C@H]1CNCCN1Cc1c(O)cccc1Cl 128339761 MGQRMHYQQDZNAU-GFCCVEGCSA-N 297.786 0.908 10 10 CCCE CN[C@@H]1CCC[C@@H](NC(=O)c2cc(O)nc(O)c2)C1 721633801 PVZJHZCAVJFXLD-NXEZZACHSA-N 265.313 0.753 10 10 CCCE O=C(O)C[C@@H](NC(=O)c1cccc(O)c1O)C(F)F 725077131 MDCWMILLKKZJOF-ZCFIWIBFSA-N 275.207 0.936 10 10 CCCE O=C1N[C@@H](C(=O)NCc2c(O)cccc2F)CS1 928712315 QWNZPOAEASVILH-MRVPVSSYSA-N 270.285 0.973 10 10 CCCE O=S1(=O)C[C@H](c2ccc(N3CCCC3)cc2)NCCN1 1952493832 VWWCMPMSPANQCV-CQSZACIVSA-N 295.408 0.851 10 10 CCCE Nc1ccc(OCc2cn(C[C@H]3COCCO3)nn2)cc1 864638937 PLFGCQDNQOJTAJ-AWEZNQCLSA-N 290.323 0.855 10 10 CCCE CN(C)c1ccc(CN2CC(S(N)(=O)=O)C2)cc1 930735165 UTMRRBIKURMKGS-UHFFFAOYSA-N 269.370 0.225 10 10 CCCE CON(C)C(=O)CN1CCOc2cc(N(C)C)ccc21 774760052 JVNKKNAKAIIUDA-UHFFFAOYSA-N 279.340 0.971 10 10 CCCE NC[C@H](O)c1nnc(/C=C/c2ccc(O)c(O)c2)o1 83458116 ROCKOCVPEDSSOI-YWNRKNDBSA-N 263.253 0.643 10 10 CCCE COc1ccc(N2CC(=O)N([C@@H](C)C(=O)O)C(=O)C2)cc1 74415970 SEIGATZYGUGDGW-VIFPVBQESA-N 292.291 0.344 10 10 CCCE COC[C@H](CCO)NC(=O)Cc1ccc(O)c(O)c1 1466038457 HMACTYOVMWDONU-JTQLQIEISA-N 269.297 0.154 10 10 CCCE CCOC[C@H](O)CNCc1cccc(OC)c1O 385984566 RLERJMKYBSLBHI-LLVKDONJSA-N 255.314 0.888 10 10 CCCE CNCc1nnc([C@@H](N)c2ccc(N(C)C)cc2)o1 83448681 QSJAJXDTEDQXQT-LBPRGKRZSA-N 261.329 0.903 10 10 CCCE CN1C[C@H]2CN(S(=O)(=O)Cc3ccc(N)cc3)C[C@@H]2C1 706980633 BNHAKPUARFAFOZ-STQMWFEESA-N 295.408 0.592 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N3C[C@H]4COC[C@H]4C3)ccc21 718191851 KREMGAAXLLOUAY-ISTVAULSSA-N 273.336 0.982 10 10 CCCE COc1ccc(O)c([C@H](C)N[C@H]2CC(=O)N(C)C2=O)c1 88775031 WEDWQZPRVQPSCP-KWQFWETISA-N 278.308 0.809 10 10 CCCE CNC(=O)[C@H](C)N(C)C(=O)COc1ccc(N)cc1 1916840750 YCBVAIAXUWOVAZ-VIFPVBQESA-N 265.313 0.241 10 10 CCCE O=C(N[C@@]12CC[C@@H](CNC1)C2)c1cccc(O)c1O 2116658159 LXWUIXDLDQHQFH-YMTOWFKASA-N 262.309 0.970 10 10 CCCE Nc1ccc(O)c(CN2C[C@H]3C[C@H](O)[C@H](O)[C@H]2C3)c1 2116697891 FRWIPOGNEMGYQW-DQBQHTNRSA-N 264.325 0.290 10 10 CCCE N[C@H]1CN(C(=O)c2ccc(O)c(O)c2)CC(F)(F)C1 2127786059 ZLIYDHPSOBPPMJ-MRVPVSSYSA-N 272.251 0.906 10 10 CCCE O=C(NC[C@H]1CC[C@@H](O)C1)c1cc(O)c(O)c(O)c1 2132349045 XMVZCEWQWIZYMF-IONNQARKSA-N 267.281 0.694 10 10 CCCE [N-]=[N+]=N[C@H]1CCCN(S(=O)(=O)N2CCC(O)CC2)C1 1912207970 NSOYXDQXSANGAC-VIFPVBQESA-N 289.361 0.463 10 10 CCCE COC[C@@H]1C[C@@H]1CNC(=O)c1cc(O)c(O)c(O)c1 2133508265 IKPUNXHQXOYJNO-BDAKNGLRSA-N 267.281 0.816 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2)C1 1912164893 YWIUMGDSBYQXNT-BDAKNGLRSA-N 251.290 0.814 10 10 CCCE CCNC(=O)NC(=O)CN1CCC(N=[N+]=[N-])CC1 1912191394 RENQLSPOFJJCAW-UHFFFAOYSA-N 254.294 0.607 10 10 CCCE COCCn1nc(C(=O)N(C)CCN=[N+]=[N-])ccc1=O 1912147359 IIIKSHXHNABEBP-UHFFFAOYSA-N 280.288 0.272 10 10 CCCE CCn1cnnc1NC(=O)Cc1ccc(O)c(O)c1 1297772891 XRKAJDUZTPFCDR-UHFFFAOYSA-N 262.269 0.890 10 10 CCCE Cn1cc([C@H](O)C(=O)NCc2cc(O)ccc2O)cn1 1455356243 ILXZCNFTBQCNIF-LBPRGKRZSA-N 277.280 0.181 10 10 CCCE C[C@@H](CCNC(=O)Cc1ccc(O)c(O)c1)[S@](C)=O 1545412147 NFNKRMWNIUOTDW-UGZDLDLSSA-N 285.365 0.914 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@H](CO)[C@H]1CCCOC1 1557021469 GBTKRKJPCBAQOA-NWDGAFQWSA-N 295.335 0.544 10 10 CCCE Cn1cc([C@H](O)C(=O)NCc2c(O)cccc2F)cn1 1635366758 KTVHJZWADXWBJW-LBPRGKRZSA-N 279.271 0.615 10 10 CCCE O=C(Nc1nc(-c2ccncc2)n[nH]1)C1=S=CC(O)=C1 1584089530 CIQWEVMPFLQEDN-UHFFFAOYSA-N 287.304 0.969 10 10 CCCE C[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)C[C@H]1O 230259591 JWKDCYAIJRJTAC-IONNQARKSA-N 252.270 0.336 10 10 CCCE COc1cc(N2CCO[C@@H]3COC[C@@H]32)ccc1CN 2139700328 INWZHJAAKNJUNJ-GXTWGEPZSA-N 264.325 0.758 10 10 CCCE CC(=O)C(=O)[C@]1(O)C[C@@H](C)N(C(=O)OC(C)(C)C)C1 1887216864 IWLYFACFIYXGNH-OQPBUACISA-N 271.313 0.905 10 10 CCCE Nc1ccc(OCCC(=O)NC[C@@H]2CC[C@@H]2O)cc1 2140534070 HFJUHMZFHAXWKU-GWCFXTLKSA-N 264.325 0.925 10 10 CCCE Nc1ccc(N2CC[C@H](CS(N)(=O)=O)C2)cc1 1940833550 CJLOFUFLNOWBMI-VIFPVBQESA-N 255.343 0.384 10 10 CCCE NN[C@@H](c1ccccc1O)[C@H]1CCS(=O)(=O)C1 1942391356 PAKFYVLBOWIEQN-GZMMTYOYSA-N 256.327 0.331 10 10 CCCE Oc1cccc(Br)c1CNCCn1cnnn1 1942812059 VKMIFXCTRGFICN-UHFFFAOYSA-N 298.144 0.931 10 10 CCCE COc1cccc(O)c1CN1CC(O)([C@@H](F)C(=O)O)C1 1875540121 WCQHKYVVVIYQRB-NSHDSACASA-N 285.271 0.370 10 10 CCCE NC[C@]1(F)C[C@@H](NS(=O)(=O)Cc2ccc(N)cc2)C1 1876400971 HRAVAXDBGKPZGQ-TXEJJXNPSA-N 287.360 0.518 10 10 CCCE Cn1cc(CCNCc2cc3c(cc2O)OCO3)nn1 1967722257 DITWGLSVAMLJLA-UHFFFAOYSA-N 276.296 0.582 10 10 CCCE Cc1cccc(O)c1CN1CC[C@@](O)(C(=O)O)C1 1968189516 XBAXAVAWQCBDNF-ZDUSSCGKSA-N 251.282 0.722 10 10 CCCE CN(C(=O)Cc1ccc(O)c(O)c1)[C@@H](CN)C(F)(F)F 2144030635 QKZBSRJIQWARIY-JTQLQIEISA-N 292.257 0.988 10 10 CCCE Nc1ccc(OCCN2C[C@H]3CS(=O)(=O)C[C@H]3C2)cc1 2144171635 ZJZZXWZZEVSLMN-TXEJJXNPSA-N 296.392 0.624 10 10 CCCE O=c1[nH]c(=O)c2nc(-c3cccc(O)c3O)[nH]c2[nH]1 166507892 XVDOEKVAEWBMSE-UHFFFAOYSA-N 260.209 0.018 10 10 CCCE CN[C@@H](c1ncn(C)n1)[C@H](O)c1ccc(N(C)C)cc1 2147842409 ATJQHBFYZXYAJB-CHWSQXEVSA-N 275.356 0.875 10 10 CCCE COc1ccc(N2CCOCC2)cc1[C@@H](N)CO 258754301 VRBBJHRKNSAPSM-LBPRGKRZSA-N 252.314 0.524 10 10 CCCE NC(=S)c1ncc[nH]c1=NCCc1ccc(O)c(O)c1 2148011343 JWMDBNVDFFZZLN-UHFFFAOYSA-N 290.348 0.599 10 10 CCCE CCN[C@@H](c1ccccc1O)C1(O)CCS(=O)(=O)CC1 2148157239 RXUSRODDAGYGHE-ZDUSSCGKSA-N 299.392 0.983 10 10 CCCE CN[C@@H]1CC[C@@H]2CN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 2149384780 WFFOLFWQKGRTNR-DVVUODLYSA-N 277.324 0.563 10 10 CCCE CC(C)N(CC(N)=O)c1cc2c(cc1N)OCC(=O)N2 42428375 AOLLLAFNYYYWPP-UHFFFAOYSA-N 278.312 0.300 10 10 CCCE Nc1cc2c(cc1N1CC[C@H](CO)C1)CCC(=O)N2 161521169 CGLKVQMSRQIADQ-VIFPVBQESA-N 261.325 0.972 10 10 CCCE [N-]=[N+]=NCC1(CNS(=O)(=O)c2ncc[nH]2)CC1 2006018891 PWUDNEDMVYQLDT-UHFFFAOYSA-N 256.291 0.779 10 10 CCCE COc1ccc(N2CCO[C@@H](CN)C2)c([N+](=O)[O-])c1 165830962 YWRIJSSYEDFPPH-JTQLQIEISA-N 267.285 0.767 10 10 CCCE C[C@@H](CC(N)=O)N(C)c1cc2c(cc1F)[C@@H](O)C(=O)N2 2151340520 NXCDSFBJCMGORS-PWCHPLFNSA-N 281.287 0.511 10 10 CCCE C[C@@H](CS(=O)(=O)Nc1ccc(O)cc1)C(=O)O 2012012077 ZDUKOPCPXYJVJS-ZETCQYMHSA-N 259.283 0.855 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3CC(S(C)(=O)=O)C3)ccc21 2152283858 FQAGHRUKRSSXPQ-LBPRGKRZSA-N 295.364 0.132 10 10 CCCE C[C@H](C(=O)Nc1ccc(N)cc1)N1CC(S(C)(=O)=O)C1 2152287229 XWRUVMHMCNZRAM-SECBINFHSA-N 297.380 0.325 10 10 CCCE COC[C@H](NCc1ccc2c(c1)CCCN2C)C(N)=O 2152358552 LGRDCZWRAKLVJO-ZDUSSCGKSA-N 277.368 0.659 10 10 CCCE Nc1ccc(OC[C@@H](O)CN2CC[C@]3(CCO3)C2)cc1 2153330057 GAKZBKFTSFGFOS-ZFWWWQNUSA-N 278.352 0.873 10 10 CCCE C[C@@H](c1ccc(O)cc1O)N1CCOC[C@@H]1CN 2035628889 KYHCXRWNIGZAIQ-UWVGGRQHSA-N 252.314 0.818 10 10 CCCE Nc1ccc(OCCS(=O)(=O)Nc2cn[nH]c2)cc1 70490620 IHGXWGUUUHTYKX-UHFFFAOYSA-N 282.325 0.813 10 10 CCCE CN(CCOCCO)c1c(F)cc(CN)cc1F 310610178 BSBGMRKAURIOFG-UHFFFAOYSA-N 260.284 0.869 10 10 CCCE OC[C@H]1CN(c2ccc(CNC3CC3)cc2)C[C@@H]1O 316853750 DFYNWHFCHXFETG-DOMZBBRYSA-N 262.353 0.728 10 10 CCCE CC1(C)[C@H](CO)OCCN1C(=O)c1cc(O)nc(O)c1 2159643969 SEDPDRCKHZIOQL-VIFPVBQESA-N 282.296 0.105 10 10 CCCE CCN(c1ccc(N)cc1)S(=O)(=O)N1CCC[C@H]1CO 2161836280 PNKMRQORUARHJL-ZDUSSCGKSA-N 299.396 0.797 10 10 CCCE Nc1ccc(OCC(=O)NCCn2cncn2)cc1 381754972 FUPZIXVEQUKNIJ-UHFFFAOYSA-N 261.285 0.056 10 10 CCCE NC(=O)CC1CN(C(=O)CCc2ccc(N)cc2)C1 382077430 HMEGNYXODAVEEE-UHFFFAOYSA-N 261.325 0.535 10 10 CCCE COc1cccc(CNCc2cc(=O)n(C)[nH]2)c1O 391453240 SCYVDHLXGIFDBS-UHFFFAOYSA-N 263.297 0.717 10 10 CCCE CN1C(=O)N[C@H]2CN(c3ccc(CO)cc3F)CC[C@H]21 2171297728 RURFDDGVICAAAT-WCQYABFASA-N 279.315 0.920 10 10 CCCE CCNCc1ccc(N2CC[C@H](O)[C@H](CO)C2)cc1 396857429 OMUFBQZUKKXYSR-ZFWWWQNUSA-N 264.369 0.976 10 10 CCCE C[C@@H](CNCc1ccc2c(c1)CCCN2C)S(N)(=O)=O 398272791 RABDYUFMGVCFBB-NSHDSACASA-N 297.424 0.836 10 10 CCCE C[C@@H](NC[C@@H](C)S(N)(=O)=O)c1cc(F)ccc1O 398257534 SCDKFDUNRAKYBC-HTQZYQBOSA-N 276.333 0.859 10 10 CCCE Cc1cc(O)n2ncc(C(=O)N3C[C@H](O)CC[C@H]3C)c2n1 2062104641 ASIHONJBLLCOIT-NXEZZACHSA-N 290.323 0.729 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N3C[C@H]4C[C@H](O)[C@H]3C4)ccc21 2177159781 PAYJOZRGFPXWKE-ULTHFGNCSA-N 273.336 0.859 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3C[C@H]4C[C@H](O)[C@H]3C4)ccc21 2177159779 PAYJOZRGFPXWKE-NGSVMEPUSA-N 273.336 0.859 10 10 CCCE Nc1ccc(OCC(=O)N2C[C@@H]3C[C@H](CO)[C@@H]3C2)cc1 2174305997 COUTUMQOCWLLHK-MISXGVKJSA-N 276.336 0.734 10 10 CCCE Nc1cc2c(cc1N1C[C@@H](N)C[C@@H](O)C1)CCC(=O)N2 2191620673 DVKLSRYNALTMRB-VHSXEESVSA-N 276.340 0.052 10 10 CCCE Nc1ccc(CCC(=O)N2CCNC[C@H]2C(=O)O)cc1 2191725221 ZQJUPNDGRBCWRJ-LBPRGKRZSA-N 277.324 0.086 10 10 CCCE Nc1cc2c(cc1N1CCC=C[C@H]1CO)NC(=O)CO2 2182341277 UIECKVXFMKVWPQ-VIFPVBQESA-N 275.308 0.727 10 10 CCCE CNC(=O)[C@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)C1 2188874223 FFHSYBQZJXDLNN-ZETCQYMHSA-N 280.280 0.012 10 10 CCCE O=C(N[C@]12COC[C@@H]1C2(F)F)c1cc(O)c(O)c(O)c1 2188929017 NXUMAGFEYCOIGS-GZMMTYOYSA-N 287.218 0.567 10 10 CCCE O=C(NC1C[C@H]2CNC[C@@H]2C1)c1cc(O)c(O)c(O)c1 2188919157 KTTARTJHGRHXAH-IUCAKERBSA-N 278.308 0.531 10 10 CCCE NCc1ccc(N2C[C@H]3C[C@H]2[C@H](O)[C@@H]3O)c(F)c1 2042559042 XLZPGCFRNYJLIE-NZBQSGDWSA-N 252.289 0.215 10 10 CCCE O=C(N[C@H]1CNC[C@@H]1C(F)(F)F)c1ccc(O)c(O)c1 2193238040 GNEYICAAZLHTOF-YUMQZZPRSA-N 290.241 0.978 10 10 CCCE CCS(=O)(=O)C[C@](C)(O)[C@H](N)c1ccccc1O 2051011480 KGFRMGARJSOUJB-NEPJUHHUSA-N 273.354 0.578 10 10 CCCE O=S1(=O)C[C@@H](O)[C@@H](NCc2ccc(Cl)cc2O)C1 2057708764 PZPJQCSOTQXKCX-GXSJLCMTSA-N 291.756 0.293 10 10 CCCE COc1ccc(N2C[C@H](OC)[C@H](N)C2)c(OC)c1 2058641262 ZJAVHXDMGHACHD-MFKMUULPSA-N 252.314 0.866 10 10 CCCE CO[C@H]1CS(=O)(=O)C[C@@H]1N1CCC[C@@H]1CN=[N+]=[N-] 2059059071 OOHMZJLNSXZEPZ-UTLUCORTSA-N 274.346 0.573 10 10 CCCE C[C@H](O)[C@@H](NC(=O)c1cc(O)nc(O)c1)C1CC1 2059500175 LTBFTCQFDPOGCL-UPONEAKYSA-N 252.270 0.382 10 10 CCCE CN(Cc1ccccc1O)C(=O)C[C@@H]1CNCCOC1 2200704458 HQXKAWQMFWYQGH-GFCCVEGCSA-N 278.352 0.977 10 10 CCCE CN(C(=O)CN1C[C@@H]2C[C@@H]2[C@H]1CO)c1ccc(N)cc1 2198990824 AOFIVMPQMKEODH-LEWSCRJBSA-N 275.352 0.544 10 10 CCCE C[C@H]1C[C@@H](CO)CN1CC(=O)c1ccc(O)c(O)c1 2100329374 BEGJWBGQJROSGS-VHSXEESVSA-N 265.309 0.983 10 10 CCCE O[C@H]1CCc2cc(N3CC[C@H]4C[C@H]3[C@@H](O)[C@@H]4O)ccc21 2199531076 IBPVDULDMUNPQO-ORDIRQJYSA-N 275.348 0.987 10 10 CCCE NCCC(F)(F)C(=O)NCCc1ccc(O)c(O)c1 2106640554 XMJBUDBCQXTXOC-UHFFFAOYSA-N 274.267 0.741 10 10 CCCE CCOCCOCCNC(=O)c1ccc(O)c(O)c1 2087570968 XUNKDXZCMKCXAY-UHFFFAOYSA-N 269.297 0.881 10 10 CCCE CN(Cc1ccc(N)cc1)C[C@@H]1CCS(=O)(=O)N1C 2088667092 ZIGIQPHFAXSILT-ZDUSSCGKSA-N 283.397 0.735 10 10 CCCE C[C@@H]1C[C@@H]1N(CCO)S(=O)(=O)Cc1ccc(N)cc1 2110795281 SMTVBLBEDAKWFV-MFKMUULPSA-N 284.381 0.801 10 10 CCCE Nc1ccc(CCC(=O)NC[C@@H]2CCS2(=O)=O)cc1 2094327686 ATWADVXCAAPVDM-LBPRGKRZSA-N 282.365 0.505 10 10 CCCE C[C@]1(CO)COCCN1C(=O)Nc1ccc(N)cc1 2112754768 OCLGWSXEYMBXEI-ZDUSSCGKSA-N 265.313 0.884 10 10 CCCE COc1ccc(N2C[C@H](O)[C@H](O)[C@@H](CO)C2)cc1Cl 2273674909 BWZLOUPSGYQCDB-YDEJPDAXSA-N 287.743 0.499 10 10 CCCE CC[C@@H](O)c1ccc(N2CC[C@](O)(CO)[C@H](O)C2)cc1 2234096491 KTGJDLIFZXTCLN-KFWWJZLASA-N 281.352 0.424 10 10 CCCE COc1ccc(N2CCn3ncnc3C2)c(CCN)c1 2235977962 XGXMICSGSPLREO-UHFFFAOYSA-N 273.340 0.808 10 10 CCCE CCNCc1cc(OC)ccc1N1CC(C(=O)NC)C1 2235968287 PUCMKMNTXJIWLN-UHFFFAOYSA-N 277.368 0.987 10 10 CCCE COc1ccc(N2CC[C@H]3C(=O)NC[C@@H]3C2)c(CO)c1 2236001060 DERQJMRWRYVULM-DGCLKSJQSA-N 276.336 0.760 10 10 CCCE O=c1c2c(ccn1C[C@@H]1[C@H]3CCOC[C@H]31)CCNC2 2228425332 SFVABTHIFKHJOA-MRVWCRGKSA-N 260.337 0.777 10 10 CCCE O=C(CS(=O)(=O)CC1COC1)c1ccc(O)c(O)c1 2271372991 JAZRLJVCXBBQBP-UHFFFAOYSA-N 286.305 0.342 10 10 CCCE CC(=O)c1cc(F)cc(CN2CC[C@@H]2[C@H](O)CO)c1O 2286214232 OXKPCCRDQBHSFW-CHWSQXEVSA-N 283.299 0.661 10 10 CCCE CCN(CCN=[N+]=[N-])S(=O)(=O)N1CCC[C@H](O)C1 2315993175 XYQQOUWPHHPPMC-VIFPVBQESA-N 277.350 0.320 10 10 CCCE COc1ccc(N2C[C@H]3CS(=O)(=O)[C@@H]3C2)c(CN)c1 2336472911 HRZIXUMDJIONKN-GXFFZTMASA-N 282.365 0.387 10 10 CCCE CN(C)S(=O)(=O)CCCNCc1c(O)cccc1F 2341871509 AZESOBXBVARDFG-UHFFFAOYSA-N 290.360 0.902 10 10 CCCE Nc1ccc(OC[C@@H](O)CN2C[C@@H]3CCO[C@@H]3C2)cc1 2355200862 KRJAOUBDFHDAOO-CORIIIEPSA-N 278.352 0.729 10 10 CCCE CC(=O)N/C=C1/C(=O)NC(=O)N(c2ccccc2)C1=O 101124506 ZEPVSOBZRZSMMN-YFHOEESVSA-N 273.248 0.289 10 10 CCCE CN(C(=O)c1cccc(O)c1O)C1CCNCC1 126655081 GQCMQXQKNYZLJV-UHFFFAOYSA-N 250.298 0.922 10 10 CCCE CNC[C@H]1CCCN1C(=O)c1cc(O)nc(O)c1 133116539 KJDJGHILUHSHSF-SECBINFHSA-N 251.286 0.317 10 10 CCCE C[C@H](N[C@H](C)c1cc(O)ccc1O)C(=O)N1CCOCC1 228096227 CDKHJMAVDQLRJM-MNOVXSKESA-N 294.351 0.996 10 10 CCCE N=[N+]=CC(=O)CCCN1C(=O)c2ccccc2C1=O 96291110 CWHSHLWIQRUKDL-UHFFFAOYSA-N 258.257 0.942 10 10 CCCE O=S1(=O)C=C[C@@H](NCc2ccc(O)c(O)c2O)C1 236592118 UXDPVIYKUFOOQV-MRVPVSSYSA-N 271.294 0.204 10 10 CCCE CN(C)c1ccc(/C=C\C(=O)NC[C@@H](N)CO)cc1 701410827 RHHUCPVADAPZFP-VVEJJEBESA-N 263.341 0.202 10 10 CCCE C[C@@]12CNC[C@]1(C(=O)NCCc1ccc(O)c(O)c1)C2 2165511125 OHFKFLRNDCUMPY-CABCVRRESA-N 276.336 0.756 10 10 CCCE C[C@H](N)c1ccc(N2CCN(CC(N)=O)CC2)c(F)c1 723175126 GOMJZMJXQFTFDN-JTQLQIEISA-N 280.347 0.453 10 10 CCCE COc1cc(O)c(CNC[C@@](C)(CO)OC)cc1OC 848921670 FYUHUTOOFFXTME-AWEZNQCLSA-N 285.340 0.896 10 10 CCCE COC(=O)[C@H](N)C1(c2cc(O)c(O)c(O)c2)CC1 1952522526 DKSOYBMNOVPYEL-JTQLQIEISA-N 253.254 0.335 10 10 CCCE CC[C@@H](NC(=O)CCOc1ccc(N)cc1)C(=O)NC 697917746 STXNZANLIWMLFR-GFCCVEGCSA-N 279.340 0.679 10 10 CCCE Nc1ccc(CCNC(=O)N[C@H]2C[C@H](C(N)=O)C2)cc1 861641251 QLNCBPUGGWUOJT-UMSPYCQHSA-N 276.340 0.374 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CCSC[C@H]1CO 1446338937 OBDOFWDMHGOKAC-SNVBAGLBSA-N 283.349 0.577 10 10 CCCE CC[C@H](N)c1nnc(CN2C(=O)CSC2=S)o1 83535556 OXTILWNHWIQXLI-YFKPBYRVSA-N 272.355 0.840 10 10 CCCE CC(=O)N1CCC[C@@H]1C(=O)NCc1ccc(N)cc1 708819633 VLRAMPCCSKAERR-CYBMUJFWSA-N 261.325 0.896 10 10 CCCE CN(C(=O)Cc1ccc(N)cc1)[C@@H]1COC[C@H]1O 709117065 GXAVXINKWYWRNT-VXGBXAGGSA-N 250.298 0.029 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3C[C@H]4COC[C@@H]4C3)ccc21 718244467 KREMGAAXLLOUAY-BHDSKKPTSA-N 273.336 0.982 10 10 CCCE COc1ccc(CN[C@@H]2CS(=O)(=O)C[C@H]2O)cc1C 895688674 BHCREHJONALAEF-VXGBXAGGSA-N 285.365 0.251 10 10 CCCE COC(=O)[C@](C)(N)[C@H](O)c1ccc2c(c1)CCN2C 2121968855 XGNPYSKDADOWMQ-TZMCWYRMSA-N 264.325 0.603 10 10 CCCE Nc1cc2c(cc1N1CC(O)(C(F)F)C1)OCCO2 2115492355 KYRTXHGJEARCIV-UHFFFAOYSA-N 272.251 0.856 10 10 CCCE [N-]=[N+]=NCCCN[C@@]1(C(=O)O)CO[C@@]2(CCOC2)C1 2122404094 MIJFJYWJNRSVTR-WDEREUQCSA-N 270.289 0.679 10 10 CCCE CCN=c1[nH]sc(=NCCOc2ccc(N)cc2)[nH]1 2117266831 ISTWKIYIRANGTQ-UHFFFAOYSA-N 279.369 0.887 10 10 CCCE NC[C@@H]1C[C@@H]2CN(C(=O)c3ccc(O)c(O)c3)C[C@@H]21 2117664956 BACOSBBABGNZMJ-HBNTYKKESA-N 262.309 0.765 10 10 CCCE Cn1cnc(S(=O)(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])c1 2218741824 OQCHCZCLAPLSGA-JGVFFNPUSA-N 270.318 0.930 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CCOC[C@H]2CF)cc1 2126200654 QTOVUADFRVZVBY-GFCCVEGCSA-N 288.344 0.769 10 10 CCCE Nc1ccc(NC(=O)CN2C[C@@H](CO)[C@@H](F)C2)cc1 2120597718 LNBDYJQBJRSCDE-CABZTGNLSA-N 267.304 0.470 10 10 CCCE CC(C)N(CC(N)=O)C(=O)c1cc(O)c(O)c(O)c1 2132350691 PMJFAOPFPDSLQV-UHFFFAOYSA-N 268.269 0.139 10 10 CCCE C[C@](CO)(NC(=O)c1cc(O)c(O)c(O)c1)C(F)F 2132350999 SHYHNGMYGWGVSX-LLVKDONJSA-N 277.223 0.549 10 10 CCCE O=C(N[C@]12CC[C@H]1CNC2)c1cc(O)c(O)c(O)c1 2132402512 ZCZXVROQLQWCTJ-SDBXPKJASA-N 264.281 0.285 10 10 CCCE CC(C)(CCN)CNC(=O)c1cc(O)c(O)c(O)c1 2132403268 IRSLQIQLGANDPP-UHFFFAOYSA-N 268.313 0.908 10 10 CCCE CN[C@@H]1CC[C@@H]1CNC(=O)c1cc(O)c(O)c(O)c1 2132405799 BSLSUELRLOTLAP-VXNVDRBHSA-N 266.297 0.531 10 10 CCCE Nc1ccc(N2C(=O)N[C@H](C3(O)CCC3)C2=O)cc1 2131440240 IXDFRJAEZDONRL-JTQLQIEISA-N 261.281 0.609 10 10 CCCE O=C(CN1C[C@@H]2C[C@@H]2[C@H]1CO)c1ccc(O)c(O)c1 1905554750 DXXFOTZVNFWVHV-GARJFASQSA-N 263.293 0.593 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCN(C(=O)[C@@H]2COCCO2)C1 1912143581 IAVWXTITNMEPOL-UWVGGRQHSA-N 254.290 0.951 10 10 CCCE CC(C)NC(=O)NC(=O)CN(C)CCCN=[N+]=[N-] 1912162947 CMIUICBUDCAJLV-UHFFFAOYSA-N 256.310 0.853 10 10 CCCE CNCc1ccc(N2CC[C@H](O)C[C@@H]2CO)c(F)c1 2136082834 SSNHCILSCPTUTI-NEPJUHHUSA-N 268.332 0.867 10 10 CCCE O=C(NCCN1CCSCC1)c1ccc(O)c(O)c1 227028660 QPFUZCIYUAJIIE-UHFFFAOYSA-N 282.365 0.876 10 10 CCCE CCOc1cccc(CN[C@@H]2CC(=O)N(C)C2=O)c1O 116072686 ORIBBMHLZFQZPY-SNVBAGLBSA-N 278.308 0.638 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H](O)COCC1CC1 1622526480 HPHZJUPXWKOBTG-GFCCVEGCSA-N 295.335 0.544 10 10 CCCE C[C@H](CNC(=O)[C@H]1CNc2ccccc2N1)N(C)C 229880117 OZGKRUHLNTXCFO-ZWNOBZJWSA-N 262.357 0.959 10 10 CCCE COc1cc(N(C)CCN(C)CCO)ccc1CN 2139682113 CCEBEKSGNWRHRY-UHFFFAOYSA-N 267.373 0.514 10 10 CCCE CN[C@@H](C)c1ccc2c(c1)CCCN2CC(=O)NC(N)=O 162246105 ATICDBRSEPYYOG-JTQLQIEISA-N 290.367 0.915 10 10 CCCE NCC[C@@H]1C(=O)NN(c2ccc(Br)cc2)C1=O 106676881 ULTCEOQMRFOKNU-SECBINFHSA-N 298.140 0.792 10 10 CCCE Oc1cc(Cl)ccc1CNCCn1ncnn1 1942492631 BBBZMCVWESVNDL-UHFFFAOYSA-N 253.693 0.822 10 10 CCCE C[C@H](N[C@H](C)CS(N)(=O)=O)c1ccccc1O 1947425935 PFTNMJBDVGQXKH-BDAKNGLRSA-N 258.343 0.720 10 10 CCCE CN(C[C@H]1COCCN1)C(=O)Nc1ccc(N)cc1 1876152459 GLHSADJATABESW-LBPRGKRZSA-N 264.329 0.721 10 10 CCCE CCn1nnnc1[C@@H](O)[C@H](NC)c1ccccc1O 1885445508 WTCNTVLWCUHYOF-MNOVXSKESA-N 263.301 0.393 10 10 CCCE Nc1ccc(OCC(=O)N2C[C@@H]3OCCO[C@H]3C2)cc1 2149768185 CYGPLSLVMCYEOQ-STQMWFEESA-N 278.308 0.274 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 252845199 CDNBNCOKHKWQFY-UJNFCWOMSA-N 264.281 0.336 10 10 CCCE CN(C(=O)Cc1ccc(O)c(O)c1)[C@@H](CN)C1CC1 1971743273 NEMJAGVUKLOAJL-NSHDSACASA-N 264.325 0.836 10 10 CCCE NC(=O)N[C@@H]1CCN(Cc2cc(F)ccc2O)C1 272484896 TWXRUAXHUVVQJA-SNVBAGLBSA-N 253.277 0.774 10 10 CCCE CCOC(=O)c1cc([C@H](N)CO)c(O)cc1OC 260176011 DVEKHWMIMCWPNJ-SECBINFHSA-N 255.270 0.570 10 10 CCCE Nc1ccc(CCC(=O)N[C@H]2COC[C@H]2C(=O)O)cc1 158170426 ZZXYBVZKUABPCI-NEPJUHHUSA-N 278.308 0.417 10 10 CCCE C[C@@]1(NC(=O)c2cc(O)nc(O)c2)CCC[C@H]1C(=O)O 2146795240 KVOXLLRAXXPAKY-ISVAXAHUSA-N 280.280 0.866 10 10 CCCE O=C1Nc2cc(N3C[C@@H]4[C@@H](CO)[C@@H]4C3)c(F)cc2[C@@H]1O 2146875665 XEDZRJYWCRPREP-QARKVSRYSA-N 278.283 0.486 10 10 CCCE C[C@H](O)[C@H]1CCN(C(=O)COc2ccc(N)cc2)C1 161446315 LICFBVVIQNIRGD-QWRGUYRKSA-N 264.325 0.877 10 10 CCCE O=C(Cn1ccc2c(c1=O)CNCC2)NCC(F)(F)F 2150801110 RDDJGNYSRQORJW-UHFFFAOYSA-N 289.257 0.173 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3C[C@H]4[C@H](O)C[C@H]4C3)ccc21 2151397884 RPHIVECTJGZYRY-RHBIEUIISA-N 273.336 0.716 10 10 CCCE O=C(N[C@@H]1CNCCSC1)c1cccc(O)c1O 2036050790 PVBJXYZWUSGEMQ-MRVPVSSYSA-N 268.338 0.533 10 10 CCCE [N-]=[N+]=N[C@H]1CCCN(C(=O)[C@@H]2CNC(=O)C2)CC1 2037999340 FHMNEZXEJANKFP-IUCAKERBSA-N 251.290 0.814 10 10 CCCE COCCNCc1ccc(N2CC(CO)(OC)C2)cc1 2157305294 ZVNZCMBPSAAVNV-UHFFFAOYSA-N 280.368 0.620 10 10 CCCE O=C(O)[C@@H](Cc1ccc(O)c(O)c1)n1c(O)cnc1O 2157507904 YGQOQKMLWZOADW-SSDOTTSWSA-N 280.236 0.574 10 10 CCCE Nc1ccc(OCC(=O)N2Cc3cn[nH]c3C2)cc1 311647505 BEVJWPHVYKGNPZ-UHFFFAOYSA-N 258.281 0.913 10 10 CCCE Nc1ccc(NC(=O)N2C[C@@H](O)[C@@H](CO)C2)cc1 316991950 RSPRSHKVUUVMAS-LDYMZIIASA-N 251.286 0.086 10 10 CCCE CN(Cc1ccccc1O)C(=O)c1c(N)cnn1C 87872356 YEYWWZALLCUKDR-UHFFFAOYSA-N 260.297 0.980 10 10 CCCE CCN(c1ccc2c(c1)NC(=O)[C@@H]2N)[C@@H]1CCNC1=O 2171232290 FRSUNSBBBRKYQJ-VXGBXAGGSA-N 274.324 0.353 10 10 CCCE CCCNCc1ccc(N2CC(NS(C)(=O)=O)C2)cc1 703165057 UKIMUPCZQWAXQF-UHFFFAOYSA-N 297.424 0.924 10 10 CCCE CN(Cc1ncnn1C)C(=O)c1cccc(O)c1O 707379476 FYKDVFFEKKZZLY-UHFFFAOYSA-N 262.269 0.499 10 10 CCCE COC(=O)N(C)CCNCc1cccc(O)c1O 689527979 BTFWGJQTLWFYBR-UHFFFAOYSA-N 254.286 0.886 10 10 CCCE COc1ccc(O)c(CNCC(=O)N2CCOCC2)c1 380084456 JREZMTXWIIRWSI-UHFFFAOYSA-N 280.324 0.349 10 10 CCCE COc1cccc(O)c1CN[C@@]12CC[C@@H](C1)[C@@H](O)[C@H]2O 2177039866 OIEAKCTVBGZJME-MOZUYYIMSA-N 279.336 0.765 10 10 CCCE C[C@H]1C[C@H](O)CN1c1cc2c(cc1N)OCC(=O)N2 384977110 IUSFHHRJXHWUJG-YUMQZZPRSA-N 263.297 0.559 10 10 CCCE Cc1cc(O)n2ncc(C(=O)N3CCC34COC4)c2n1 2065133622 UAEDQQMPLYOBID-UHFFFAOYSA-N 274.280 0.358 10 10 CCCE Cc1nn(C)c(=O)n(CCCc2ccc(N)cc2)c1=O 2175188769 KWTIPTGQPBYCSG-UHFFFAOYSA-N 274.324 0.465 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)[C@H](F)CC1CNC1 2178534566 PMLQLBQUTWEKSY-LLVKDONJSA-N 282.315 0.704 10 10 CCCE Nc1cc2c(cc1N1CCC[C@@H]1[C@H](O)CO)OCCO2 2179803315 AIOILOPSVRSFAD-ZYHUDNBSSA-N 280.324 0.362 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H](O)C(F)(F)F 1615397830 FCUCYPOZIYZQOK-SECBINFHSA-N 279.214 0.680 10 10 CCCE CCNCc1ccc(N2CC3(C2)OC[C@H](O)[C@H]3O)cc1 2183631168 GYGFSYCRQRLOSG-UONOGXRCSA-N 278.352 0.107 10 10 CCCE C[C@@H]1C(=O)NC(=O)CN1c1ccc2c(c1)CCC[C@@H]2O 2184690905 IKLJJBJGVGAGJL-RNCFNFMXSA-N 274.320 0.908 10 10 CCCE COc1cccc(O)c1CN1CCOC[C@H]1CN 2042581172 MGOIQOZUQPPFPC-SNVBAGLBSA-N 252.314 0.560 10 10 CCCE C[C@H](c1cc(O)ccc1O)N1C[C@@H](N)C[C@H](O)C1 2049120384 MFFBMBYXBAIHMM-YWVKMMECSA-N 252.314 0.553 10 10 CCCE C[C@@]1(NC(=O)c2cc(O)nc(O)c2)CCC[C@H]1O 2062572413 AGJOXNCAGODUSR-PRHODGIISA-N 252.270 0.526 10 10 CCCE C[C@@H](N)[C@H](NC(=O)c1cc(O)c(O)c(O)c1)C(F)(F)F 2195308654 BTNNWOHYMZQBHJ-MOFOKWOHSA-N 294.229 0.811 10 10 CCCE COC(=O)c1cccc(N)c1N[C@@H]1COC[C@@H]1CO 2108746811 NCQAMHMABPFGDI-GZMMTYOYSA-N 266.297 0.475 10 10 CCCE CCN1C[C@H](N(C)Cc2ccccc2O)[C@H](O)C1 2072466331 DTHYBGNDIUMJCG-GXTWGEPZSA-N 250.342 0.889 10 10 CCCE Nc1ccc(OC[C@H](O)CN2C[C@H](O)C23CCC3)cc1 2201414216 VHTZZRMBZYUJSC-OCCSQVGLSA-N 278.352 0.608 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1C[C@@H](O)C12CCC2 2081652897 NLKVBNYTGLIZSR-MRVPVSSYSA-N 250.254 0.232 10 10 CCCE Cc1cccc(CNC(=O)[C@@]2(O)CCNC2)c1O 2084061407 UGKDZARXNFOGKE-CYBMUJFWSA-N 250.298 0.041 10 10 CCCE NC[C@]1(CO)COCCN1Cc1c(O)cccc1F 2104511658 AJGHBTINQBZLFN-ZDUSSCGKSA-N 270.304 0.053 10 10 CCCE COC[C@@H](OC)[C@H](NN)c1ccc2c(c1)CCN2C 2106869597 INKKHWLULINEDD-ZIAGYGMSSA-N 265.357 0.845 10 10 CCCE COc1ccc(N2C[C@H]3OCCN(C)[C@@H]3C2)c(N)c1 2097696810 PPBMGEPMHYVJDD-ZIAGYGMSSA-N 263.341 0.797 10 10 CCCE CN(C)C[C@@H]1CN(Cc2cc(N)ccc2O)CCO1 2113981578 LIADCHCQKMKNEE-CYBMUJFWSA-N 265.357 0.737 10 10 CCCE C[C@@H](c1cc(F)ccc1O)N(C)[C@H]1CC(=O)NC1=O 2114732428 MUMUMSODDPLONG-XVKPBYJWSA-N 266.272 0.939 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3C[C@H]4C[C@H]3[C@@H]4CO)cc21 2203128305 JXOALPLEQGHQGG-DQBQHTNRSA-N 273.336 0.480 10 10 CCCE COc1cc(N(C)CCN2CCOCC2)ccc1CO 2204542821 FVQKXOOPVMIBLS-UHFFFAOYSA-N 280.368 0.956 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CC[C@@H]2[C@@H](O)C[C@H]2C1 2232790826 OLKFXWWQIZSIAK-GUBZILKMSA-N 279.292 0.646 10 10 CCCE COc1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)cc1C(C)C 2235142892 IYYIVYSOBZKTEU-YDHLFZDLSA-N 281.352 0.721 10 10 CCCE COc1ccc(N2CCS(=O)(=O)CC2)c(C[C@@H](C)N)c1 2235967329 FBTIRZBKAYGOKB-LLVKDONJSA-N 298.408 0.820 10 10 CCCE COc1ccc(N2CC[C@H]([C@](C)(O)CO)C2)c(CN)c1 2235975749 XTCNSJPVZRBDRV-SWLSCSKDSA-N 280.368 0.724 10 10 CCCE COc1ccc(N2CC[C@@H](O)[C@@H](CO)C2)c(C=O)c1 2227687686 IAVKGRJOIUVLPF-BXUZGUMPSA-N 265.309 0.687 10 10 CCCE Nc1ccc(CC(=O)NC[C@]23CNC[C@H]2CCO3)cc1 2237803211 DGXHDJSGQTYISP-IUODEOHRSA-N 275.352 0.306 10 10 CCCE O=C1COC2(CN1)CN(c1ccc(CO)cc1F)C2 2273953299 BSEGKYKJXAMTGV-UHFFFAOYSA-N 266.272 0.023 10 10 CCCE C[C@@H](N)c1ccc(N2CC(O)(C(F)(F)CO)C2)cc1O 2288540253 REARTVLEBTXTOU-MRVPVSSYSA-N 288.294 0.591 10 10 CCCE CC[C@H](O)c1ccc(N2CC([C@H](O)CO)C2)cc1 2315277061 XHWFONICGXWZPJ-UONOGXRCSA-N 251.326 0.919 10 10 CCCE Nc1ccc(CCCN2C[C@@H](O)[C@@H](O)[C@H]2CF)cc1 2333234369 SFYIFRGQBVAFSL-MCIONIFRSA-N 268.332 0.577 10 10 CCCE CC(C)Oc1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)cc1 2333690218 UPKYFWCNTQOADJ-MCIONIFRSA-N 267.325 0.377 10 10 CCCE CS(=O)(=O)[C@H]1CC[C@H]1NC(=O)Cc1ccc(N)cc1 2342715233 PDBHLLCGPLYCIO-NEPJUHHUSA-N 282.365 0.503 10 10 CCCE CS(=O)(=O)CC[S@](=O)CCOc1ccc(N)cc1 111005975 KVFCNWVJMDRCSN-KRWDZBQOSA-N 291.394 0.441 10 10 CCCE O=C(N[C@@H]1C[C@H]2CNC[C@@H]1C2)c1cc(O)c(O)c(O)c1 2356975396 UCSWOJNJPTVEBN-UJNFCWOMSA-N 278.308 0.531 10 10 CCCE CN(C)c1ccc(/C=C\C(=O)NC(CO)CO)cc1 213684838 UDXWTXJBKICRBQ-YVMONPNESA-N 264.325 0.235 10 10 CCCE CN(CC(=O)NC1CC1)C[C@H](O)COc1ccc(N)cc1 36797332 ZTDBKDLRYBTZFX-ZDUSSCGKSA-N 293.367 0.219 10 10 CCCE COc1ccc(CNCCCOCCO)c(O)c1 227331969 SBMDOWSPZFAQNO-UHFFFAOYSA-N 255.314 0.889 10 10 CCCE Cc1cc(NC(=O)CN2C(=O)CSC2=S)no1 82339436 BACPFJWYQZKXGZ-UHFFFAOYSA-N 271.323 0.782 10 10 CCCE COc1cc(OC)c2c(c1)C(=O)N(C)CCN2CC(=O)O 527432065 ORQAXZNSAAVITM-UHFFFAOYSA-N 294.307 0.680 10 10 CCCE CC(=O)C(=O)COC(=O)c1cc(O)nc(C2CC2)c1 808537775 DDOIDAPVENVVST-UHFFFAOYSA-N 263.249 0.980 10 10 CCCE CC(=O)C(=O)COC(=O)Cn1nc(C(F)(F)F)cc1C 811243159 SNMSCTKFGDPOOY-UHFFFAOYSA-N 292.213 0.912 10 10 CCCE CC1(CNC(=O)c2ccc(O)c(O)c2)OCCO1 717320270 HJRHANUNIMJBBQ-UHFFFAOYSA-N 253.254 0.591 10 10 CCCE C[C@@H](NC(=O)COc1ccc(N)cc1)c1cn(C)nn1 720535029 BRJKLLQJQQATBV-SECBINFHSA-N 275.312 0.654 10 10 CCCE CNCc1ccc(N2CCN(C(N)=O)CC2)cc1C 722174913 UXULTQCDVHHVTC-UHFFFAOYSA-N 262.357 0.915 10 10 CCCE CN(C[C@@H](O)COc1ccc(N)cc1)C[C@H](O)C1CC1 690296381 VEQITYOEFWHVJE-HIFRSBDPSA-N 280.368 0.711 10 10 CCCE CCNC(=O)C1CN(C(=O)c2cc(O)cs2)C1 754436258 PUVYIQHCJMQHTR-UHFFFAOYSA-N 254.311 0.662 10 10 CCCE CN1c2cc3c(cc2[C@@H](O)C[C@@H]1C(=O)O)OCO3 84102440 XXIYSMJQDOPDRQ-BDAKNGLRSA-N 251.238 0.742 10 10 CCCE C[C@@H](c1ccccc1O)N(C)C(=O)[C@@H](C)NC(N)=O 701152046 UJPXNIQILLCPCH-BDAKNGLRSA-N 265.313 0.968 10 10 CCCE CNC(=O)NC1CCN(Cc2cc(N)ccc2O)CC1 702141725 RBPPMFXSTFIULR-UHFFFAOYSA-N 278.356 0.868 10 10 CCCE C[C@H](N)c1ccc(N2CC[C@H](NS(C)(=O)=O)C2)cc1O 703140213 YKEGCZCBSNEBKT-UWVGGRQHSA-N 299.396 0.540 10 10 CCCE C[C@H](O)c1ccc(N2CCN(C)[C@H](CO)C2)cc1O 687598889 SUHXRQAJAFGVTO-JQWIXIFHSA-N 266.341 0.558 10 10 CCCE CN(C)C[C@]1(O)CCN(c2ccc(CN)cc2F)C1 713655377 XRHWGUVJCFOHKS-CQSZACIVSA-N 267.348 0.787 10 10 CCCE CS(=O)(=O)[C@H]1C[C@H](NC(=O)c2cccc(O)c2O)C1 714248730 POUGVKCNDAWTEA-ZKCHVHJHSA-N 285.321 0.403 10 10 CCCE C[C@H](NCCc1nnnn1C)c1ccc(F)cc1O 756678635 WYTOROCLYCKGPM-QMMMGPOBSA-N 265.292 0.948 10 10 CCCE CCN[C@@H](C)CN(C)C(=O)c1cc(O)c(O)c(O)c1 2132399121 CMTPRRZQFBDSDR-QMMMGPOBSA-N 268.313 0.873 10 10 CCCE [N-]=[N+]=NCCN[C@@]1(C(=O)O)CCO[C@]12CCOC2 1912153755 DLQXNOPTZHUSEH-VHSXEESVSA-N 256.262 0.289 10 10 CCCE CC1(C)COCC[C@]1(NCCCN=[N+]=[N-])C(N)=O 1912179045 QTWRXSJMRCLKAQ-NSHDSACASA-N 255.322 0.947 10 10 CCCE CN(CCCN=[N+]=[N-])C(=O)c1cc(O)nc(O)n1 1912189550 WZKHFFHYNPPPEU-UHFFFAOYSA-N 252.234 0.660 10 10 CCCE CCOC(=O)[C@@]1(NCCN=[N+]=[N-])CCN(C)[C@H]1C 1912151967 NNAYAHGNTWNPIY-GXSJLCMTSA-N 255.322 0.912 10 10 CCCE CC(C)OC(=O)NS(=O)(=O)N1CC(N=[N+]=[N-])C1 1912200177 CXZORSSNUBUHOR-UHFFFAOYSA-N 263.279 0.360 10 10 CCCE CCCO[C@H]1CS(=O)(=O)C[C@@H]1N1CC(N=[N+]=[N-])C1 1912208441 SLPHHEDJHJAGQB-UWVGGRQHSA-N 274.346 0.573 10 10 CCCE N[C@H](CO)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1 107943493 ZQGRIYYHQRMEQT-CMPLNLGQSA-N 264.325 0.604 10 10 CCCE C[C@]1(CNCc2ccc(O)c(O)c2O)CCNC1=O 2136072440 GRESVUBXOHBFQU-CYBMUJFWSA-N 266.297 0.419 10 10 CCCE COCCNC(=O)CCNCc1cc(F)ccc1O 226619366 FNVOHQMFHATZIW-UHFFFAOYSA-N 270.304 0.774 10 10 CCCE O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1C[C@H](O)[C@H](O)C1 1644988777 HBZUSXLVDNNSPJ-IHQZPUFPSA-N 279.292 0.111 10 10 CCCE O=C(NC[C@@H]1[C@H]2CCNC[C@@H]21)c1cccc(O)c1O 2138559514 FXNGHPFCEJDHCY-INTQDDNPSA-N 262.309 0.683 10 10 CCCE CCn1cc(CNC(=O)Cc2ccc(O)c(O)c2)nn1 1584003943 GPEWBHPVYNPUQR-UHFFFAOYSA-N 276.296 0.568 10 10 CCCE COc1cc(N2CCO[C@@H]3COC[C@H]32)ccc1CN 2139700331 INWZHJAAKNJUNJ-TZMCWYRMSA-N 264.325 0.758 10 10 CCCE Nc1ccc(CCCN2C[C@H](O)[C@H](O)[C@H]2CF)cc1 2140659301 SFYIFRGQBVAFSL-HZSPNIEDSA-N 268.332 0.577 10 10 CCCE NC[C@H]1CCn2c(nnc2-c2ccc(O)c(O)c2)C1 236200747 ZUYRTPBDROOGBV-QMMMGPOBSA-N 260.297 0.877 10 10 CCCE C[C@@H](c1ccccc1O)N(C)CCN1C(=O)CNC1=O 2143448581 VBFMMEHZTIXDGA-JTQLQIEISA-N 277.324 0.937 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H]2CNC[C@H]21 2144029714 WQRYJOGJZCINRE-NWDGAFQWSA-N 276.336 0.851 10 10 CCCE CC1(C)[C@@H](N)C[C@@H]1CNC(=O)c1cc(O)nc(O)c1 1885867571 WBCYDDNVUJBVBT-BDAKNGLRSA-N 265.313 0.596 10 10 CCCE CN(Cc1ccc(N)cc1)C(=O)Cn1cccnc1=O 2148898574 LCTUFRVZCLXQIS-UHFFFAOYSA-N 272.308 0.484 10 10 CCCE CN1C[C@@H](N(C)C(=O)Cc2ccc(N)cc2)CCC1=O 1972562202 VBBOYKUTBYFTCV-ZDUSSCGKSA-N 275.352 0.891 10 10 CCCE C[C@H](C(=O)Nc1ccc(N)cc1)N1C[C@@H]2C[C@]2(CO)C1 2146310592 KUHRAGWOAVTUDN-JRPNMDOOSA-N 275.352 0.910 10 10 CCCE CO[C@@H]1CNCC[C@H]1NC(=O)Cc1ccc(O)c(O)c1 2146724749 LUCRAAJARRVZNN-ZWNOBZJWSA-N 280.324 0.133 10 10 CCCE O=C1Nc2cc(N3C[C@H](O)C(F)(F)C3)c(F)cc2[C@H]1O 2152094049 ISGSLLWBQIYPKJ-VHSXEESVSA-N 288.225 0.627 10 10 CCCE NS(=O)(=O)CCCNCc1c(O)cccc1F 1997964952 UCBWXQFMNMMXEO-UHFFFAOYSA-N 262.306 0.300 10 10 CCCE COC(=O)[C@@H](NC(=O)COc1ccc(N)cc1)C(C)C 40303248 GSGROWTVNBPEMC-ZDUSSCGKSA-N 280.324 0.961 10 10 CCCE CS(=O)(=O)CC1CN(C(=O)CCc2ccc(N)cc2)C1 2159442582 UINDEZMCFRYHJT-UHFFFAOYSA-N 296.392 0.704 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCCSCC1 48896316 WQOBEWSVCXOKBM-NSHDSACASA-N 296.392 0.933 10 10 CCCE Nc1cc2c(cc1N1CCCC[C@@H]1CO)NC(=O)CO2 48857550 UDWRXDVLWKVMNC-SECBINFHSA-N 277.324 0.951 10 10 CCCE CC(C)[C@H](CN)NC(=O)Cc1ccc(O)c(O)c1 2027482139 OQCRLURRTGHLKE-JTQLQIEISA-N 252.314 0.740 10 10 CCCE N[C@H](CNC(=O)c1cc(O)nc(O)c1)C(F)(F)F 2029878365 JYELTVJMLHZGMP-RXMQYKEDSA-N 265.191 0.112 10 10 CCCE C[C@@H](O)CN(CCO)CCCc1ccc(N)cc1 2030141786 LGUISZQGWCTDRF-GFCCVEGCSA-N 252.358 0.877 10 10 CCCE CN1C[C@@H]2C[C@H](C1)CN2c1ccc2c(c1)NC(=O)[C@H]2N 2160691887 UHBFHCGITBFVRJ-PUYPPJJSSA-N 272.352 0.779 10 10 CCCE Nc1ccc(OCC(=O)NCCN2CCCC2=O)cc1 405441893 PWOFKYKWNFEQRT-UHFFFAOYSA-N 277.324 0.386 10 10 CCCE Nc1ccc(OC[C@H](O)CN2C[C@@H]3CCO[C@H]3C2)cc1 2172044455 KRJAOUBDFHDAOO-LNSITVRQSA-N 278.352 0.729 10 10 CCCE CCOC(=O)[C@@](C)(NCCCN=[N+]=[N-])c1cn(C)nn1 714957040 QNCMYCDYFLHXDL-NSHDSACASA-N 281.320 0.883 10 10 CCCE C[C@@H]1[C@](NCCCN=[N+]=[N-])(C(=O)O)CCS1(=O)=O 386835900 QVRAKOKLNBHSCU-APPZFPTMSA-N 276.318 0.307 10 10 CCCE CC[C@H](NC(=O)COc1ccc(N)cc1)[C@@H](C)O 387105664 GHXIPBQTRKVCAK-SKDRFNHKSA-N 252.314 0.923 10 10 CCCE CCN(CC(=O)NC)c1ccc([C@H](C)N)c(O)c1 723185139 IEEOKIARTLPDQB-VIFPVBQESA-N 251.330 0.984 10 10 CCCE Nc1ccc(OCCNC(=O)[C@@H]2CC[C@@H]2C(=O)O)cc1 397497372 PFDLQHJNQOXKSU-NEPJUHHUSA-N 278.308 0.875 10 10 CCCE CNC(=O)[C@H](C)CN(C)c1ccc(CO)c([N+](=O)[O-])c1 2188573562 HQWFSIPWOPQZEA-SECBINFHSA-N 281.312 0.905 10 10 CCCE CC1(C)[C@H](O)[C@@H](O)CN1CCCOc1ccc(N)cc1 2181213763 JEZFSSTYJVCWBM-UONOGXRCSA-N 280.368 0.854 10 10 CCCE CC1(C)C[C@H](O)[C@H](O)CN1CCOc1ccc(N)cc1 2188629981 JFVWLJHAZSDKBW-UONOGXRCSA-N 280.368 0.854 10 10 CCCE N[C@@H]1CC[C@H]2CN(C(=O)c3cc(O)c(O)c(O)c3)C[C@@H]12 2188924629 RNDMBEOPKHOKQF-FXBDTBDDSA-N 278.308 0.613 10 10 CCCE NC(=O)CO[C@H]1CCN(c2ccc3c(c2)CC[C@H]3N)C1 2184723897 SLVUXQHELHARME-GXTWGEPZSA-N 275.352 0.713 10 10 CCCE CCNC(=O)C1(NCc2cccc(O)c2O)CC1 2041825697 NUNKYFTYQXLBHT-UHFFFAOYSA-N 250.298 0.856 10 10 CCCE COc1cc(N)c(N2CC[C@H](N)[C@H](CO)C2)cc1OC 2191790766 RDRXXLIJPSGTFV-UWVGGRQHSA-N 281.356 0.432 10 10 CCCE C[C@@H]1CNC[C@@H](CNS(=O)(=O)Cc2ccc(N)cc2)C1 2191780087 ANEPKNUWOPTVNA-AAEUAGOBSA-N 297.424 0.934 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)[C@H]2CNC3(CCC3)C2)C1 2049779882 CIXAWRXBAPVGNR-GMTAPVOTSA-N 250.342 0.784 10 10 CCCE CCN[C@H](c1ccccc1O)[C@H](O)c1nnnn1CC 2196233375 DTRBDALYLTYZSM-NEPJUHHUSA-N 277.328 0.783 10 10 CCCE COC(=O)CS(=O)(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-] 2213589942 ITMOGIBXBNHGRQ-BQBZGAKWSA-N 262.291 0.310 10 10 CCCE N[C@H]1CC[C@@H]1CNC(=O)c1cc(O)c(O)c(O)c1 2068621036 LQIXPCAXADNNIO-SVRRBLITSA-N 252.270 0.271 10 10 CCCE Nc1ccc(CS(=O)(=O)NCCC2CNC2)cc1 2071698656 VPUIXXTYICCHBA-UHFFFAOYSA-N 269.370 0.298 10 10 CCCE COc1ccc(N2CCC(O)(CN)CC2)c(N)c1 2071851259 NOUFQDVGCNNZSG-UHFFFAOYSA-N 251.330 0.567 10 10 CCCE C[C@H](NC(=O)C1(N)CC(O)C1)c1ccccc1O 2073232476 AAGCZXBRZGEAMP-BVDKZHGWSA-N 250.298 0.422 10 10 CCCE CC(=O)N[C@@H](C)C(=O)NCc1cccc(C)c1O 2084057839 ZDVVNHUCDGEHLP-VIFPVBQESA-N 250.298 0.841 10 10 CCCE CC(=CCNC(=O)Cc1ccc(O)c(O)c1)C(=O)O 2087725532 WMQVQEFPWBEFAU-UHFFFAOYSA-N 265.265 0.787 10 10 CCCE CC(C)S(=O)(=O)NC1CN(Cc2ccc(N)cc2)C1 2109340544 JGBZIMUSTYOSQS-UHFFFAOYSA-N 283.397 0.781 10 10 CCCE Cc1cc(CN)ccc1N1C[C@H](CO)[C@@H](CCO)C1 2093496904 WGERXOGIPSXFMW-UONOGXRCSA-N 264.369 0.881 10 10 CCCE Nc1ccc(CCC(=O)N2CC(OCCO)C2)cc1 2095968998 SGLBOUNRIPGFIA-UHFFFAOYSA-N 264.325 0.421 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3C[C@@H](O)C34CCC4)cc21 2201414655 YJEMLDHSTAZQAV-CHWSQXEVSA-N 273.336 0.766 10 10 CCCE Nc1cc2c(cc1N1C[C@H]3C[C@H]1[C@@H]3CO)NC(=O)CO2 2203128616 NBOVPQIVSUEPGX-XLDPMVHQSA-N 275.308 0.417 10 10 CCCE Cc1cccc(CNC(=O)[C@]23CNC[C@@H]2CCO3)c1O 2204607111 WMGZBTOMAJAGCR-WFASDCNBSA-N 276.336 0.695 10 10 CCCE Cc1ccc(CN2CC[C@H](O)[C@@H](O)[C@@H]2C(=O)O)c(O)c1 2204628366 XKQQPKSNRPDWMZ-CYZMBNFOSA-N 281.308 0.081 10 10 CCCE Nc1ccc(CCO[C@H]2CC(CO)(CO)C[C@H]2O)cc1 2206381524 VPUQFOQKCSGZDH-KGLIPLIRSA-N 281.352 0.322 10 10 CCCE COC[C@@H]1[C@H](O)[C@@H](O)CN1c1ccc([C@@H](C)O)cc1F 2233866275 PGDFFQXSLMZGTG-NGSVMEPUSA-N 285.315 0.436 10 10 CCCE C[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CCCN1 2224773439 JUBIIKMBLGTTNV-JTQLQIEISA-N 264.325 0.851 10 10 CCCE COc1ccc(N(C)[C@H]2C[C@@H](C(N)=O)C2)c(CN)c1 2227681562 JUTWQJRTFGVWCE-JGZJWPJOSA-N 263.341 0.854 10 10 CCCE COc1ccc(N2C[C@H](O)[C@@H](N(C)C)C2)c(CO)c1 2227710062 BAPYYEMQWXLIOE-KBPBESRZSA-N 266.341 0.299 10 10 CCCE CCO[C@@]1(CS(=O)(=O)CCN=[N+]=[N-])CCOC1 2250062649 QPUDOPPBRIGFKA-VIFPVBQESA-N 263.319 0.907 10 10 CCCE CNC(=O)c1cncc(/C=C\C(=O)N(C)c2cnn(C)c2)c1 491935762 GWXLBSWULYIDPR-PLNGDYQASA-N 299.334 0.851 10 10 CCCE NCc1ccc(N2[C@H]3CC[C@@H]2C[C@H](O)[C@H]3O)c(F)c1 2331964485 JJLOIOFUFYEQAG-HYNSBDGHSA-N 266.316 0.747 10 10 CCCE O=C(O)CCN(CCO)C(=O)c1ccc(O)c(O)c1 2342676967 JYNDMIPQSGZBTA-UHFFFAOYSA-N 269.253 0.007 10 10 CCCE CN1CCc2cc(CNc3cnn(CC(N)=O)c3)ccc21 50286589 NWAVAGGTHWXUDP-UHFFFAOYSA-N 285.351 0.973 10 10 CCCE COc1ccc(CN[C@H]2CCC(=O)NC2)c(O)c1 110910792 FQPWFYHOGBGYCW-JTQLQIEISA-N 250.298 0.769 10 10 CCCE COC(=O)[C@H](N)CN1CCN(c2ccc(OC)cc2)CC1 59531338 JUDGXIYRBOWTDE-CQSZACIVSA-N 293.367 0.318 10 10 CCCE C[C@@H](N)c1ccc(N2C[C@@H](O)[C@H](O)C2)cc1Cl 310083924 FNQFUUDUBNPMAK-NZXMKCKXSA-N 256.733 0.902 10 10 CCCE C[C@H](Cc1ccc(O)c(O)c1)C(=O)N1CC[C@@H](N)C1 170042074 STEBWFMHLYFLDZ-MWLCHTKSSA-N 264.325 0.836 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3CCNC(=O)C3(C)C)ccc21 110658518 UHSQXBCNGWLXOV-LBPRGKRZSA-N 288.351 0.614 10 10 CCCE CN1[C@H]2CC[C@H]1CC(NCCN=[N+]=[N-])(C(N)=O)C2 116851239 NTXMUHAMFQRRQT-IUCAKERBSA-N 252.322 0.367 10 10 CCCE O=C(NCc1cncnc1)c1cc(O)c(O)c(O)c1 1148589605 DKZGVYDZWITCRJ-UHFFFAOYSA-N 261.237 0.523 10 10 CCCE CCN(CC)c1ccc([C@@H](O)[C@@H](N)C(=O)O)c(OC)c1 1951903402 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CCN(OC)C(=O)CNC(=O)/C=C\c1ccc(O)c(O)c1 844069008 RCIQPMLNMVJQCQ-ALCCZGGFSA-N 294.307 0.637 10 10 CCCE C[C@]1(O)CCN(C(=O)c2cccc(O)c2O)C[C@H]1O 1893299428 FLCDPMLUCHVEGX-MFKMUULPSA-N 267.281 0.056 10 10 CCCE Nc1ccc(OCC(=O)N2CC[C@@H]3COC[C@@H]32)cc1 1899112503 OAVBBBWGPDALIK-MFKMUULPSA-N 262.309 0.895 10 10 CCCE Cc1ccc(O)c(CNC(=O)[C@H]2CCN(C)S2(=O)=O)c1 862754784 KHRAACLFOKUSQV-GFCCVEGCSA-N 298.364 0.351 10 10 CCCE COC[C@@](C)(CO)NC(=O)/C=C\c1ccc(O)c(O)c1 768450584 GURLXLBLKIJVMV-KXQLTZBTSA-N 281.308 0.625 10 10 CCCE C[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)C[C@@H]1C(=O)O 104202724 DVNRCYWAJSPCEN-SVRRBLITSA-N 266.253 0.286 10 10 CCCE [N-]=[N+]=NCCN[C@H](C(N)=O)c1ccc2c(c1)OCO2 90257728 LJGYBSWLTOUQGK-JTQLQIEISA-N 263.257 0.842 10 10 CCCE O=C(N[C@@H]1CCCC12OCCO2)c1cc(O)nc(O)c1 715996687 NUIUHJMTOQXEIH-SECBINFHSA-N 280.280 0.518 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3C[C@H]4COC[C@H]4C3)ccc21 718186182 OARDVRGHDOWATQ-VYUIOLGVSA-N 259.309 0.721 10 10 CCCE C[C@@H](O)CN(C1CC1)S(=O)(=O)Cc1ccc(N)cc1 691406745 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0.653 10 10 CCCE CN1C[C@@H]2CCC[C@@](NCCN=[N+]=[N-])(C(N)=O)[C@H]2C1 1912165898 PYOJXCPYZROUAV-NHCYSSNCSA-N 266.349 0.472 10 10 CCCE CS(C)(=O)=NCCNCc1ccc(O)c(O)c1 1913486197 OPNVNQVGTNFJAX-UHFFFAOYSA-N 258.343 0.915 10 10 CCCE C[C@@H]1[C@H](O)CCN1S(=O)(=O)Cc1ccc(N)cc1 1914437327 NBNUPYOIOGTHSE-BXKDBHETSA-N 270.354 0.554 10 10 CCCE CN(C(C)(C)C(N)=O)S(=O)(=O)Cc1ccc(N)cc1 1915499558 LSSYXTVEPYRJIA-UHFFFAOYSA-N 285.369 0.294 10 10 CCCE COCCNCc1ccc(N(CCO)C2COC2)cc1 1915547545 RSVCHJJCZCJZQT-UHFFFAOYSA-N 280.368 0.620 10 10 CCCE COc1ccc(N2C[C@@H](C)N[C@@H](CO)C2)cc1OC 217179201 LATJNHVBHATLJJ-GHMZBOCLSA-N 266.341 0.863 10 10 CCCE CC1(C)C[C@H](NC(=O)Cc2ccc(O)c(O)c2)C(=O)O1 1545894731 CVDUXZDHMVMWGQ-VIFPVBQESA-N 279.292 0.851 10 10 CCCE CC[C@@H](C)[C@@H](CN)NC(=O)c1cc(O)c(O)c(O)c1 2136528180 GKMBOCVIIQBRRT-VXNVDRBHSA-N 268.313 0.907 10 10 CCCE CN1CCCN(S(=O)(=O)Cc2ccc(N)cc2)CC1=O 228895527 PCWGBBQXRZTWTF-UHFFFAOYSA-N 297.380 0.263 10 10 CCCE CC(C)[C@H](NC(N)=O)C(=O)N1Cc2cccc(O)c2C1 1644088014 BOLCQIIFAGJIBG-LBPRGKRZSA-N 277.324 0.927 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CCCn2nncc2C1 1644862931 MKQUXMCMVSFTDV-UHFFFAOYSA-N 288.307 0.664 10 10 CCCE O=C(Cn1cncn1)NCc1c(O)cccc1F 1596911586 HXHKHPZKTJDCCL-UHFFFAOYSA-N 250.233 0.439 10 10 CCCE Cn1nccc1S(=O)(=O)NCc1cc(N)ccc1O 124095332 ULDJROFGVXWZCD-UHFFFAOYSA-N 282.325 0.186 10 10 CCCE CC1=NN(c2nnn[nH]2)C(=O)/C1=C\c1ccc2c(c1)OCO2 12412782 LHQYVGIGVHAPET-WTKPLQERSA-N 298.262 0.735 10 10 CCCE CN(CC(=O)c1ccc(O)c(O)c1)CC1(O)CCOCC1 161858006 LBBWKFGLUDCURS-UHFFFAOYSA-N 295.335 0.754 10 10 CCCE Cc1cccc(CNC(=O)[C@@H]2CNCCN2C)c1O 2139742884 FYPIJGIRSLXQGL-LBPRGKRZSA-N 263.341 0.220 10 10 CCCE CCOC(=O)CCN(C)C(=O)c1cc(O)c(O)c(O)c1 1866303134 NLAMKZCHKABUHI-UHFFFAOYSA-N 283.280 0.829 10 10 CCCE N[C@@]1(CO)CCN(c2ccc3c(c2)OCCO3)C1 259188374 DWILXTNKURTBKI-ZDUSSCGKSA-N 250.298 0.358 10 10 CCCE COc1ccc(N2CCO[C@@H](CN)C2)c(OC)c1 11632371 KNAYBTBJGYSWQM-NSHDSACASA-N 252.314 0.868 10 10 CCCE COCCC[C@H](NC(=O)c1ccc(O)c(O)c1)C(=O)O 234622881 CIMIVEFKYAMKJX-VIFPVBQESA-N 283.280 0.707 10 10 CCCE CN[C@@H]1COC[C@H]1c1nc(-c2ccc(O)c(O)c2)no1 234440533 YSWNYNGYCPOSGJ-RKDXNWHRSA-N 277.280 0.850 10 10 CCCE OC[C@H](O)CN(Cc1ccccc1O)C[C@H]1CCCO1 929969759 DADYPCWETODBGW-ZIAGYGMSSA-N 281.352 0.726 10 10 CCCE C[C@@H]1C[C@H](N)CN1C(=O)CCOc1ccc(N)cc1 1876479175 DTSTZFDZXNMERT-PWSUYJOCSA-N 263.341 0.986 10 10 CCCE CC[C@@H]1N(C(=O)OC(C)(C)C)C[C@@]1(O)C(=O)C(C)=O 1881382908 XAKJYBKXDZDOTF-ZANVPECISA-N 271.313 0.905 10 10 CCCE NCC1(NC(=O)Cc2ccc(O)c(O)c2)CCOCC1 2144023136 HAKZPBANZYEOBK-UHFFFAOYSA-N 280.324 0.264 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@@H]1[C@H]2NCCO[C@@H]21 1966850682 NJMOUGLDEWGPSR-JHJVBQTASA-N 262.309 0.337 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@@H]1[C@@H]2NCCO[C@H]21 1966850680 NJMOUGLDEWGPSR-AGIUHOORSA-N 262.309 0.337 10 10 CCCE C[C@@H]1CNC[C@H](CCNC(=O)Cc2ccc(N)cc2)O1 1972594660 ARCFADXURFEXSJ-RISCZKNCSA-N 277.368 0.695 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3C[C@@H](O)C4(CC4)C3)ccc21 2149753396 DWEPLWZHCGVHQP-OLZOCXBDSA-N 273.336 0.860 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N3C[C@@H](O)C4(CC4)C3)cc21 2149754724 PMUPVSULGIXHIS-OLZOCXBDSA-N 273.336 0.624 10 10 CCCE CCCN1CCN(CCc2ccc(N)cc2)C(=O)C1=O 158147492 UWGHWFHPHDTTAE-UHFFFAOYSA-N 275.352 0.892 10 10 CCCE CNCc1cc(F)c(N2CCOC[C@@H]2C(N)=O)c(F)c1 159011969 VNWPWBFUQPIELH-LLVKDONJSA-N 285.294 0.375 10 10 CCCE CN1CCCN(C(=O)COc2ccc(N)cc2)CC1 40301856 GELRXNRPYBVQAX-UHFFFAOYSA-N 263.341 0.812 10 10 CCCE COC[C@@H](NCc1ccc(N2CCCC2)cc1)C(N)=O 2152390649 WZDNWISITUWKCU-CQSZACIVSA-N 277.368 0.877 10 10 CCCE CO[C@H]1COC[C@H]1CNC(=O)CCc1ccc(N)cc1 2154125107 ACXPTOVYJGDFAU-OCCSQVGLSA-N 278.352 0.979 10 10 CCCE CCOC(=O)CS(=O)(=O)N(C)Cc1ccc(N)cc1 49061614 QMFGSYGXMICLIU-UHFFFAOYSA-N 286.353 0.594 10 10 CCCE C[S@](=O)(CCN)=NC(=O)Nc1ccc(N)cc1 2016887076 CAPMTWUNAXTCRB-KRWDZBQOSA-N 256.331 0.857 10 10 CCCE Cc1cc(N2CCOC[C@H]2C(=O)N(C)C)ccc1CN 2155017706 VUUJQPQCRIVYKI-AWEZNQCLSA-N 277.368 0.747 10 10 CCCE NC(=O)CN(Cc1ccc(N)cc1)[C@H]1CCCC[C@@H]1O 2155615827 GXMZQORGKNCPPX-KBPBESRZSA-N 277.368 0.860 10 10 CCCE O=c1c2c(ccn1C[C@H](O)C[C@@H]1CCCO1)CCNC2 2155679334 TYKKRMDGLHZLPP-OLZOCXBDSA-N 278.352 0.424 10 10 CCCE CO[C@@H]1CN(C)C[C@H]1NCc1cccc(F)c1O 2034331842 BOHKQHYKOQEPIW-VXGBXAGGSA-N 254.305 0.950 10 10 CCCE Oc1cccc(CNCC[C@@H]2COCCO2)c1O 2034535467 DEAQWEUATGCWFX-LLVKDONJSA-N 253.298 0.993 10 10 CCCE C[C@@H]1C[C@H]2CNC[C@H]2N1C(=O)c1ccc(O)c(O)c1 300437712 BIVYOXFDCBFKRW-DVVUODLYSA-N 262.309 0.920 10 10 CCCE CC(C)(C)n1nnc(C(=O)NCc2ccc(N)cc2)n1 700256130 WXLIKGZUOQWCGI-UHFFFAOYSA-N 274.328 0.940 10 10 CCCE CCNC(=O)C[S@](=O)CCc1ccc(N)cc1 310070740 MTNHKJRUTJHXJE-QGZVFWFLSA-N 254.355 0.696 10 10 CCCE Nc1ccc(OCC(=O)OC[C@@H]2CCC(=O)N2)cc1 311417476 AUMANSBTGCSDJA-JTQLQIEISA-N 264.281 0.469 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CC[C@@H]2NCC[C@@H]2C1 311914488 ROQWHHAAIXDTDR-MNOVXSKESA-N 262.309 0.922 10 10 CCCE CN(Cc1ccc(N)cc1)C[C@H]1CCN(S(C)(=O)=O)C1 709224970 IRAYPFUFKBOEHQ-CYBMUJFWSA-N 297.424 0.982 10 10 CCCE C[C@@H](O)c1ccc(N2C[C@@H](CO)[C@H](CO)C2)cc1 704441939 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C[C@H]1[C@H]2CC[C@@H](C[C@@]1(NCCCN=[N+]=[N-])C(N)=O)N2 686155974 DLFLPDUIWVQBSW-GUDRVLHUSA-N 266.349 0.661 10 10 CCCE CC(C)(CNS(C)(=O)=O)NCc1cc(F)ccc1O 708288313 CATPHVABTZLQEA-UHFFFAOYSA-N 290.360 0.949 10 10 CCCE C[C@H](CN)S(=O)(=O)NCc1ccc(N(C)C)cc1 722229861 CUVYRBMOFHVANF-SNVBAGLBSA-N 271.386 0.519 10 10 CCCE CNC(=O)CN(C)c1ccc([C@@H](C)NC)c(O)c1 723174368 BGHYEBLDUQUJPO-SECBINFHSA-N 251.330 0.855 10 10 CCCE Cn1cnnc1NC(=O)CCOc1ccc(N)cc1 394400602 BISDUSFXKMVFCX-UHFFFAOYSA-N 261.285 0.805 10 10 CCCE COc1ccc(N2CCN3C(=O)[C@H](N)C[C@H]3C2)c(F)c1 2173418212 KZJLEVLLATXWTP-JOYOIKCWSA-N 279.315 0.583 10 10 CCCE CCN(CCN=[N+]=[N-])C(=O)CCSCC(N)=O 2300525224 CMXIJXGTWQIAAL-UHFFFAOYSA-N 259.335 0.754 10 10 CCCE O=C(NCC1[C@@H]2CS(=O)(=O)C[C@@H]12)c1ccc(O)c(O)c1 2174624375 OWWDKZOUUDDDFX-UWVGGRQHSA-N 297.332 0.118 10 10 CCCE COc1cccc(O)c1CNC[C@@H]1Cc2nncn2C1 2167726957 OZHLLGBNIBIDEN-JTQLQIEISA-N 274.324 0.954 10 10 CCCE COc1cc(C(=O)N[C@H]2C[C@](C)(CN)C2)cc(OC)n1 2180023225 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10 10 CCCE CN[C@H](C)c1ccc(N2CC[C@@H](O)C[C@@H]2CO)cc1O 2200832201 HVHKHVSUANEBDU-RAIGVLPGSA-N 280.368 0.995 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@@H]3C[C@H](C2)O3)cc1 2077887482 SRPUPYZRPGGMNS-TXEJJXNPSA-N 268.338 0.572 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CC[C@H]2C[C@H]1[C@H](O)[C@@H]2O 2199429000 MHLWROOHYULCDD-OBRLSWLKSA-N 279.292 0.054 10 10 CCCE COC(=O)[C@@H](C)NC(=O)NCCc1ccc(N)cc1 2100777920 LZTHHKIZXMNXNN-SECBINFHSA-N 265.313 0.672 10 10 CCCE CN1CCc2cc([C@H](O)[C@H]3CNCCN3C)ccc21 2106797132 XSKLEPQKLNBYSJ-CABCVRRESA-N 261.369 0.616 10 10 CCCE CO[C@@H]1CNCC[C@]1(O)c1ccc2c(c1)CCN2C 2106799216 TUWWCXQIZZBODO-CABCVRRESA-N 262.353 0.875 10 10 CCCE CO[C@@H](C)[C@@H](NC(=O)c1cccc(O)c1O)C(=O)O 2087686489 PMHDCOHGZRZNEY-IMTBSYHQSA-N 269.253 0.316 10 10 CCCE O=C(NC1([C@H]2CCNC2)CC1)c1cccc(O)c1O 2090171324 NYJMEFIWDIRYAW-VIFPVBQESA-N 262.309 0.970 10 10 CCCE Nc1ccc(NC(=O)CCN2C[C@H](O)[C@@H](F)C2)cc1 2092765350 FYDCNMNELOHENK-RYUDHWBXSA-N 267.304 0.612 10 10 CCCE CN[C@@H](C)[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)C1 2092981775 QSRQZMDQZUCPHN-IUCAKERBSA-N 265.313 0.563 10 10 CCCE Nc1ccc(OCCN2CC[C@@]3(C[C@H](O)CO3)C2)cc1 2201784116 LLCSJXBETQSMTK-DZGCQCFKSA-N 278.352 0.873 10 10 CCCE C[C@@H](c1c(O)cccc1O)N1CC(=O)NC[C@H]1C(=O)O 2201036114 FHDGTVCOWWOKPL-YUMQZZPRSA-N 280.280 0.044 10 10 CCCE NC(=O)[C@H]1[C@H]2CN(CCCOc3ccc(N)cc3)C[C@H]21 2201314223 VSRLIDYUQNCJJF-BTTYYORXSA-N 275.352 0.701 10 10 CCCE COc1cc(N2C[C@@H]3OC(=O)N(C)[C@@H]3C2)ccc1CO 2204554905 USWSBPWCPKPNAC-YPMHNXCESA-N 278.308 0.827 10 10 CCCE Cc1ccc(CN2CC[C@H](O)[C@@H](O)[C@H]2C(=O)O)c(O)c1 2204628372 XKQQPKSNRPDWMZ-WCFLWFBJSA-N 281.308 0.081 10 10 CCCE CS(=O)(=O)[C@@H]1CCC[C@@H]1NC(=O)Cc1ccc(N)cc1 2206005012 ZOYULBMLNGIAMM-QWHCGFSZSA-N 296.392 0.893 10 10 CCCE CS(=O)(=O)CCS(=O)(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-] 2218742575 REQXGBWYFVTIRL-JGVFFNPUSA-N 296.374 0.182 10 10 CCCE [N-]=[N+]=NCCCN1C[C@@H]2[C@H]3C[C@H]([C@H](O)[C@H]3O)[C@@H]2C1 2221343435 WNTMPLRJJSYNTM-IWTNGPMKSA-N 252.318 0.606 10 10 CCCE COc1ccc(N2CCC[C@@H]3C(=O)NC[C@H]32)c(CN)c1 2235964313 XHLQOWRTCYTQIT-GXTWGEPZSA-N 275.352 0.869 10 10 CCCE COc1ccc(N2C[C@H](OC)C[C@H]2CO)c(CN)c1 2227675358 GSQWSUUDGZOWGT-WCQYABFASA-N 266.341 0.740 10 10 CCCE COc1ccc(N2C[C@@H](OC)C[C@@H]2CO)c(CO)c1 2227709768 XTMDCXDBQBXNBE-YPMHNXCESA-N 267.325 0.774 10 10 CCCE O=C1CCC2(CN(CC(=O)c3ccc(O)c(O)c3)C2)N1 2238018632 PKHNWGOHKLRBSE-UHFFFAOYSA-N 276.292 0.245 10 10 CCCE CN(C)S(=O)(=O)[C@H]1CCN(c2ccc(CN)cc2)C1 2264577960 NDSORUSSWBKZSB-ZDUSSCGKSA-N 283.397 0.615 10 10 CCCE Cc1cc(N2CC[C@](O)(CO)[C@@H](O)C2)ccc1[C@H](C)N 2285126138 FIFCGFXLRGVNPG-CQDKDKBSSA-N 280.368 0.309 10 10 CCCE COC[C@@H]1[C@H](O)[C@@H](O)CN1c1ccc(OC(F)F)cc1 2295853833 ZBHTVQQKEJJGRA-WOPDTQHZSA-N 289.278 0.845 10 10 CCCE COC[C@@H]1[C@@H](O)[C@@H](O)CN1c1ccc(OC(F)F)cc1 2295853830 ZBHTVQQKEJJGRA-GRYCIOLGSA-N 289.278 0.845 10 10 CCCE [N-]=[N+]=N[C@@H]1CCN(C(=O)[C@H]2COC[C@@H]2C(=O)O)C1 2316417421 ARZHBYDGWPXWSX-CSMHCCOUSA-N 254.246 0.245 10 10 CCCE COc1ccc([C@@H](C)NN(C)S(C)(=O)=O)c(O)c1 2317491104 WGUBPTLQEDWPJN-MRVPVSSYSA-N 274.342 0.858 10 10 CCCE CN(C[C@H]1CCO1)C(=O)c1cc(O)c(O)c(O)c1 2318674796 HWBISMNQAKGETL-MRVPVSSYSA-N 253.254 0.664 10 10 CCCE O=C(N[C@H]1C[C@@H](CO)[C@@H]2C[C@H]12)c1cc(O)nc(O)c1 2329884390 DZSPGCYBKMMRGP-XKNYDFJKSA-N 264.281 0.240 10 10 CCCE O=C(O)[C@@H]1COC[C@@H]1C(=O)NCc1ccccc1O 2338421220 GPMMCQQGSWYVFR-VHSXEESVSA-N 265.265 0.356 10 10 CCCE CO[C@@H]1COCCN(C(=O)c2cccc(O)c2O)C1 2351650753 JUFLZGVEXWDYIP-VIFPVBQESA-N 267.281 0.585 10 10 CCCE CSc1cc(N2C[C@H]3C[C@H]2[C@@H](O)[C@H]3O)ccc1CN 2353851590 MRKZALGTSCCYSN-DGFQIJBJSA-N 280.393 0.798 10 10 CCCE CN(C)c1ccc2c(c1)OCCN2C(=O)COCCO 187599450 DHICWEHXDBLGQO-UHFFFAOYSA-N 280.324 0.487 10 10 CCCE C[C@H](CNS(=O)(=O)Cc1ccc(N)cc1)N(C)C 40348148 SVDQYKUKVISBEG-SNVBAGLBSA-N 271.386 0.638 10 10 CCCE C[C@@H](CO)N(Cc1cc([N+](=O)[O-])ccc1O)C[C@@H](C)O 190870715 ZSYCEQDOJYCFDR-VHSXEESVSA-N 284.312 0.864 10 10 CCCE C[C@@H](c1ccc(O)cc1O)N1CCO[C@H](C(=O)O)C1 86805626 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CCCE Cn1cc(C[C@H](O)C(=O)NCc2c(O)cccc2F)cn1 928708511 NIGAHDVFASHUGS-ZDUSSCGKSA-N 293.298 0.485 10 10 CCCE CS(=O)(=O)C1(C(=O)NCc2c(O)cccc2F)CC1 928708210 JBSATYLBOTVTDT-UHFFFAOYSA-N 287.312 0.725 10 10 CCCE COC(=O)[C@@H]1OCC[C@@H]1NC(=O)c1cccc(O)c1O 855451916 FIYFLNMPUIESTG-GZMMTYOYSA-N 281.264 0.158 10 10 CCCE CC(=O)C(=O)COC(=O)c1cncc(N2CCCC2=O)c1 860345147 DSBXVIHAYXLZRH-UHFFFAOYSA-N 290.275 0.523 10 10 CCCE COC(=O)[C@H]1CCN(Cc2cc3c(cc2O)OC[C@H]3O)C1 768443584 SXESTAHFVRSQKT-TVQRCGJNSA-N 293.319 0.813 10 10 CCCE Cn1ncnc1C1(O)CN(Cc2c(O)cccc2Cl)C1 895620795 MEMFREXUOWTTEM-UHFFFAOYSA-N 294.742 0.878 10 10 CCCE CC(=O)NCc1nnc([C@H](N)c2cccc(C)c2O)o1 83547301 BYHQJCNKKTVXSM-LLVKDONJSA-N 276.296 0.768 10 10 CCCE Nc1ccc(O)c(CN2CCOC[C@@H]2CCO)c1 702129059 XMUPUPHFTNJUBK-LBPRGKRZSA-N 252.314 0.558 10 10 CCCE C[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)CCc1ccc(N)cc1 711779376 HPADYWWLAYCOSO-GWCFXTLKSA-N 296.392 0.751 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@H](CO)CC(F)F)cc1 717734508 ABTZXUOPTGIJHB-SNVBAGLBSA-N 294.323 0.704 10 10 CCCE CC(=O)c1cc(F)cc(CN2C[C@@H](O)C[C@@H](O)C2)c1O 752095441 VJEOXCNNWFCVCZ-TXEJJXNPSA-N 283.299 0.661 10 10 CCCE COc1ccc(N2C[C@@H](O)C[C@@]2(C)CO)c(N)c1 698143600 AFMBQVCZJKFOLB-ZANVPECISA-N 252.314 0.599 10 10 CCCE C[C@@H](c1ccc(O)cc1O)N1CCN(C2CNC2)CC1 90306609 QORXCBCDBVQMQU-NSHDSACASA-N 277.368 0.748 10 10 CCCE C[C@@H](NC(=O)NCc1c(O)cccc1F)c1nnnn1C 1313378261 VMZPTIRDPCXRBG-SSDOTTSWSA-N 294.290 0.615 10 10 CCCE C[C@H](C(N)=O)n1cc(COc2ccc(N)cc2)nn1 2122751014 FNLYGMYWJRGWPQ-MRVPVSSYSA-N 261.285 0.486 10 10 CCCE Cc1ccc([C@H](C)NCC(CO)(CO)CO)c(O)c1 2123234934 TVNTUPPLHJZULB-NSHDSACASA-N 269.341 0.315 10 10 CCCE [N-]=[N+]=NCCCN[C@]1(C(N)=O)CO[C@@H](C(F)(F)F)C1 2129078310 AYVKREVUHQLRPZ-SVRRBLITSA-N 281.238 0.852 10 10 CCCE C[C@H](N)C[C@@H](C)CNC(=O)c1cc(O)c(O)c(O)c1 2132399990 JKFSOYANPXGCDY-SFYZADRCSA-N 268.313 0.907 10 10 CCCE NC(=O)[C@@H]1CCCN1c1ccc(CO)c([N+](=O)[O-])c1 2132059588 USBUXUZZMZXMQZ-JTQLQIEISA-N 265.269 0.541 10 10 CCCE COC(=O)CCCS(=O)(=O)N1CC[C@@H](CN=[N+]=[N-])C1 1912180951 IGHSGHXTDRZWMI-VIFPVBQESA-N 290.345 0.902 10 10 CCCE CCOC(=O)NS(=O)(=O)N1CCC(N=[N+]=[N-])CC1 1912159183 DZCHSHVAEDNEES-UHFFFAOYSA-N 277.306 0.752 10 10 CCCE CC(=O)c1cn(CC(=O)NCc2ccc(O)c(O)c2)nn1 1545636598 BQQUPBCMFRGDEU-UHFFFAOYSA-N 290.279 0.208 10 10 CCCE C[C@@H](O)c1ccc(N2C[C@H](O)[C@H](O)[C@H]2CO)c(Cl)c1 2136283851 KBSKVSHGOCGCFK-WXVIEYFRSA-N 287.743 0.296 10 10 CCCE O=S1(=O)CC[C@@H](CNCc2ccc(O)c(O)c2O)C1 226750458 UOWRAXBAMGNKGT-QMMMGPOBSA-N 287.337 0.328 10 10 CCCE O=C(c1c(F)ccc(O)c1O)N1CC[C@@H](CO)C1 1558960773 BOZVGKAPLLLLDI-SSDOTTSWSA-N 255.245 0.691 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CC(=O)N(C2CC2)C1 1621913367 UCXWKGAYCRBJEZ-JTQLQIEISA-N 290.319 0.520 10 10 CCCE Nc1[nH]c(=O)[nH]c(=O)c1/N=N/c1ccc(C(=O)O)cc1 4171165 LJWBAFKWGIMQNJ-FOCLMDBBSA-N 275.224 0.759 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CC[C@@H](O)[C@@H](O)C1 1636139726 OGCMDDVKKVEMER-NDMJEZRESA-N 281.308 0.031 10 10 CCCE C[C@@H](O)c1cn(CC(=O)NCc2cc(O)ccc2O)nn1 1643881918 KNFUHLSSLPIAFR-MRVPVSSYSA-N 292.295 0.059 10 10 CCCE CCN(Cc1ccc(C)cc1O)[C@@H]1CC(=O)NC1=O 2139804085 LJBLZWCYLRYPKL-LLVKDONJSA-N 262.309 0.938 10 10 CCCE CN(C)c1ccc(C=CC(=O)NC[C@@H](O)CN)cc1 1963325515 SJYCEJYVKKWMLS-ZDUSSCGKSA-N 263.341 0.202 10 10 CCCE C[C@@H](N[C@H]1CCC(=O)NC1=O)c1c(O)cccc1O 235207873 BRZDDDLLYSITAU-SFYZADRCSA-N 264.281 0.554 10 10 CCCE CN1C[C@@H](O)[C@H](NCc2cccc(Cl)c2O)C1 1942692491 GQYPCLDKDQFPHV-GHMZBOCLSA-N 256.733 0.810 10 10 CCCE CC[C@]1(NC(=O)COc2ccc(N)cc2)CCNC1 1876432013 OFUSZAYUZNUOHL-AWEZNQCLSA-N 263.341 0.906 10 10 CCCE Nc1ccc(OCC(=O)N[C@@H]2C[C@@H]3NCC[C@H]32)cc1 1876440221 SQLRNZGAUBJJAY-FRRDWIJNSA-N 261.325 0.514 10 10 CCCE CCS(=O)(=O)NCCNCc1ccc(N)cc1 1944078535 SPSZDXUQJFWIMP-UHFFFAOYSA-N 257.359 0.298 10 10 CCCE C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)N1CC(N=[N+]=[N-])C1 1885562508 HDPUMVSRNTYZNA-APPZFPTMSA-N 299.331 0.782 10 10 CCCE O=S1(=O)CC[C@@H](CNCc2ccc(F)cc2O)N1 1967793770 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C[C@H](c1ccccc1O)N(C)C(=O)[C@]1(CO)CCNC1 2159940402 BFTZWASUSFDHRW-IAQYHMDHSA-N 278.352 0.884 10 10 CCCE CN(CC(=O)c1ccc(O)c(O)c1)[C@H]1CN2CC[C@H]1C2 2158733906 LBKPIYXNRMMTEI-RYUDHWBXSA-N 276.336 0.916 10 10 CCCE CN(C)c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CCN2)cc1 2177456560 SUNPPMOPWCNCFV-KBPBESRZSA-N 277.368 0.482 10 10 CCCE CCCN=c1[nH]c(CCc2ccc(N)cc2)nc(=N)[nH]1 380287684 DPJABIYNCJBFJU-UHFFFAOYSA-N 272.356 0.895 10 10 CCCE COc1ccc(O)c([C@H](C)NCCc2nc(=O)o[nH]2)c1 392162340 SVBGOUZRYCHOBP-QMMMGPOBSA-N 279.296 0.970 10 10 CCCE NC(=O)NC1CCN(C(=O)c2ccc(O)c(O)c2)CC1 396835202 XCCQTFRXURLZKD-UHFFFAOYSA-N 279.296 0.371 10 10 CCCE CN=c1cc(C)[nH]c(=NCCOc2ccc(N)cc2)[nH]1 2173902378 JRDXHCIWVRYBAO-UHFFFAOYSA-N 273.340 0.744 10 10 CCCE CN(C(=O)c1cc(O)nc(O)c1)[C@H](CCO)C(F)(F)F 2178520881 NWJXMXANYUTMBQ-SSDOTTSWSA-N 294.229 0.878 10 10 CCCE O=C(N[C@H]1C[C@@H]2[C@H](C(=O)O)[C@@H]2C1)c1ccc(O)c(O)c1 2169220850 CGZQNCDLBQNBRG-KYUYVKOESA-N 277.276 0.937 10 10 CCCE COCCn1nnnc1CNCc1c(C)cccc1O 2169369292 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0.964 10 10 CCCE [N-]=[N+]=NCCCN1CCC[C@]2(C1)NC(=O)NC2=O 2051085589 NURBUTMNDXLZSZ-SNVBAGLBSA-N 252.278 0.361 10 10 CCCE CCCS(=O)(=O)C[C@@](C)(NCCN=[N+]=[N-])C(=O)O 2051038269 VGIYJMDYWWVTHI-SECBINFHSA-N 278.334 0.554 10 10 CCCE CC1(C)CNC[C@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)C1 2052095554 HNGGLDNXDPIKQR-GMTAPVOTSA-N 252.358 0.888 10 10 CCCE CC1(C)CNC(=O)CN1c1ccc(CN)c(F)c1 2055554247 GTQHRRSCEVAHOG-UHFFFAOYSA-N 251.305 0.999 10 10 CCCE CC1(C)[C@@H](O)[C@H](O)CN1CCc1ccc(N)cc1 2060875232 NSYOKAHMMNEOGR-OLZOCXBDSA-N 250.342 0.627 10 10 CCCE COc1cc(N)c(N2CCNC[C@@]2(C)CO)cc1OC 2191619648 SZIXVSXONCAQDQ-AWEZNQCLSA-N 281.356 0.447 10 10 CCCE COC[C@@H](C)CNC(=O)c1cc(O)c(O)c(O)c1 2068567792 SSQMWZGMHLAFLX-ZETCQYMHSA-N 255.270 0.816 10 10 CCCE CNC1(C(=O)N[C@H](C)c2ccccc2O)COC1 2072484491 PMRTZEIGSNUYJQ-SECBINFHSA-N 250.298 0.558 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN1C(=O)C1COCCOC1 2083289520 MPZAOMLXNGWVNN-SNVBAGLBSA-N 254.290 0.951 10 10 CCCE COc1cc(N(C)CC(CO)CO)ccc1CO 2084017438 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COc1ccc(N(C)[C@@H]2COC[C@@H]2O)c(CN)c1 2220409447 OSFNBSDBFCPFHX-OLZOCXBDSA-N 252.314 0.350 10 10 CCCE COc1ccc(N(C)CCOCCO)c(CN)c1 2220416016 WDXYIRVHEBJRQQ-UHFFFAOYSA-N 254.330 0.599 10 10 CCCE C[C@@H](N)CS(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1 2220608391 QUKVEPYSGQUFSW-ZCFIWIBFSA-N 275.286 0.389 10 10 CCCE COC(=O)c1cccc(N)c1N[C@@H]1CCC[C@@H](O)[C@@H]1O 2232501117 VRTDOJBEOXAYFP-NQBHXWOUSA-N 280.324 0.742 10 10 CCCE CNCc1cc(OC)ccc1N1C[C@H](O)[C@@H](O)C1(C)C 2235954540 NEPYCQYGBYFIAV-UONOGXRCSA-N 280.368 0.735 10 10 CCCE COc1ccc(N2C[C@H](OC)C[C@H]2CO)c(CO)c1 2227709767 XTMDCXDBQBXNBE-WCQYABFASA-N 267.325 0.774 10 10 CCCE Nc1ccc(CS(=O)(=O)NCCc2c[nH]nc2O)cc1 2240527521 CAZBLYTVHHKUDD-UHFFFAOYSA-N 296.352 0.360 10 10 CCCE Nc1ccc(OCCC(=O)N[C@@H]2COC(=O)C2)cc1 2278799321 QXQKMPKYOTYSPO-JTQLQIEISA-N 264.281 0.469 10 10 CCCE COCc1ncc(C(=O)N2CC(N=[N+]=[N-])C2)n1C 2316673783 CMUJMAAFFZNSFG-UHFFFAOYSA-N 250.262 0.701 10 10 CCCE Nc1ccc(NC(=O)N2C[C@@H]3C[C@H]2[C@H](O)[C@H]3O)cc1 2329331482 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C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1cnnn1C 831925110 SHEAKFXPUNNMJE-VIFPVBQESA-N 290.323 0.516 10 10 CCCE COC(=O)N(C)CC(=O)NCc1c(O)cccc1F 928712682 VYLGACWMFPRFNJ-UHFFFAOYSA-N 270.260 0.846 10 10 CCCE COc1ccc(O)c(CN[C@@]2(C)CCNC2=O)c1 1355370175 HBCHNGBVARPNEK-ZDUSSCGKSA-N 250.298 0.769 10 10 CCCE Nc1nonc1C(=O)NCCc1ccc(O)c(O)c1 83462606 KBFJXLQBSYBVTD-UHFFFAOYSA-N 264.241 0.036 10 10 CCCE CN(C)c1ccc(CNC(=O)[C@H](O)c2cnn(C)c2)cc1 1135825343 PEFPYJKULCGLNR-CQSZACIVSA-N 288.351 0.836 10 10 CCCE NC(=O)CN(Cc1ccc(N)cc1)C[C@H]1CCCOC1 708527533 LJOTZPNZCLABRO-CYBMUJFWSA-N 277.368 0.983 10 10 CCCE COc1ccc(CNC2CC(C(N)=O)C2)c(O)c1 716732967 WBMGDTZLOUQSBP-UHFFFAOYSA-N 250.298 0.754 10 10 CCCE COc1ccc(O)c(CN2CCO[C@@]3(CCNC3)C2)c1 717411421 PNRRAJYOLXXYDG-OAHLLOKOSA-N 278.352 0.965 10 10 CCCE CO[C@@H]1CN(Cc2ccc(O)cc2O)C[C@H]1C(=O)O 690173586 NSUHPCVALWPPMZ-ZYHUDNBSSA-N 267.281 0.629 10 10 CCCE C[C@@H]1C[C@H](NC(=O)Cc2ccc(O)c(O)c2)C(=O)O1 1141651405 HQNCPZNYXSKHRM-APPZFPTMSA-N 265.265 0.461 10 10 CCCE 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C[C@H](CC1CNC1)NS(=O)(=O)Cc1ccc(N)cc1 1876470420 BFTOXJDJPOGIFF-SNVBAGLBSA-N 283.397 0.686 10 10 CCCE Nc1ccc(OCC(=O)N[C@@H]2C[C@H]3NCC[C@@H]32)cc1 1876440226 SQLRNZGAUBJJAY-YNEHKIRRSA-N 261.325 0.514 10 10 CCCE CN(c1ccc(N)cc1)S(=O)(=O)c1nn(C)cc1N 1876526410 AQLCDOKVKZHZEC-UHFFFAOYSA-N 281.341 0.410 10 10 CCCE CC1(C)NCC[C@H]1NC(=O)COc1ccc(N)cc1 1876513570 GXUOYDBCWGUAKG-GFCCVEGCSA-N 263.341 0.904 10 10 CCCE Nc1ccc(CCC(=O)N[C@H]2CNCC[C@H]2O)cc1 1876668888 FAKVZUKNNBNVTQ-QWHCGFSZSA-N 263.341 0.040 10 10 CCCE C[C@H](O)c1cc(F)c(N2CC[C@H](O)[C@H](O)C2)c(F)c1 1880487816 ISOAXIRZBXKPLO-CQFDHEJISA-N 273.279 0.950 10 10 CCCE C[C@H](N)c1cc(F)c(N2CC[C@](O)(CO)C2)c(F)c1 1880925655 DRKFAXCGBAPICE-ISVAXAHUSA-N 272.295 0.918 10 10 CCCE CC[C@H](NCCS(N)(=O)=O)c1ccccc1O 36745244 BFWJDXRMPVGWKU-JTQLQIEISA-N 258.343 0.721 10 10 CCCE CCN[C@H](c1ccccc1O)[C@@H](O)[C@@H]1COCCO1 1889130716 BPLVNLOABYGLEQ-MJBXVCDLSA-N 267.325 0.819 10 10 CCCE Nc1ccc(CNC(=O)[C@H]2CCn3ncnc3C2)cc1 1964311977 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C[C@H](N[C@H](CO)CCCO)c1ccc(O)cc1O 2029922267 KVAAXSRPULVCFB-UWVGGRQHSA-N 255.314 0.882 10 10 CCCE COCCN1C[C@H](O)[C@@H](N2CCC[C@@H](N=[N+]=[N-])CC2)C1 2156899488 QKRHVQPLKDYNDM-AGIUHOORSA-N 283.376 0.843 10 10 CCCE Cc1cc(NS(=O)(=O)N2CC(N)C2)c(C)cc1O 2041101444 AYPTZXRFMJYMQA-UHFFFAOYSA-N 271.342 0.309 10 10 CCCE CN1CCN(C(=O)CCN2CCC[C@@H]2CN=[N+]=[N-])CC1 2179619313 RFGXTRDFNOINSB-GFCCVEGCSA-N 280.376 0.925 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@@]12CNC[C@H]1CCO2 705100050 NVLKBKYYTMPDKA-IUODEOHRSA-N 276.336 0.729 10 10 CCCE O=C(N[C@@H]1CCOC[C@@H]1O)[C@@H]1CNc2ccccc2N1 707048561 MBXPEMSCPLNNOE-AGIUHOORSA-N 277.324 0.159 10 10 CCCE CC(=O)c1cc(F)cc(CN(C)[C@@H]2COC[C@@H]2O)c1O 708158202 PUWZBWPOMYDSAX-OLZOCXBDSA-N 283.299 0.925 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CCC[C@@H](O)CC2)cc1 378671879 KSOXQSBMBWZOGE-CYBMUJFWSA-N 284.381 0.945 10 10 CCCE COc1ccc([C@@H](C)NC2CS(=O)(=O)C2)c(O)c1 379908976 LKPOWCLIAOGLJW-MRVPVSSYSA-N 271.338 0.848 10 10 CCCE Nc1ccc(OC[C@H](O)CN2C[C@H]3CCO[C@H]3C2)cc1 2172044454 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COCCn1nnnc1CNCc1cc(F)ccc1O 2169372624 FYOONOPCSGZZIS-UHFFFAOYSA-N 281.291 0.454 10 10 CCCE CN1C[C@H](N(C)S(=O)(=O)Cc2ccc(N)cc2)CC1=O 2188486046 PDROBXSPBMNVLA-GFCCVEGCSA-N 297.380 0.261 10 10 CCCE C[C@H]1CC[C@H](C(=O)O)N1C(=O)c1cc(O)c(O)c(O)c1 2188867944 JOGOXZXKRYCRNA-POYBYMJQSA-N 281.264 0.881 10 10 CCCE C[C@@H]1CNC[C@@H](C)N(C(=O)c2cc(O)c(O)c(O)c2)C1 2188920198 TWUNTWUBQAEGPX-RKDXNWHRSA-N 280.324 0.873 10 10 CCCE Cc1cccc(O)c1CN1CC[C@@](O)(C(=O)O)[C@H](O)C1 2197467586 XTZXISAEOVORIN-OCCSQVGLSA-N 281.308 0.083 10 10 CCCE COC(=O)[C@](C)(NCCN=[N+]=[N-])[C@@H](C)S(C)(=O)=O 2051105902 ROACOSJRISSROO-VXNVDRBHSA-N 278.334 0.251 10 10 CCCE C[C@@H](F)CS(=O)(=O)NCCOc1ccc(N)cc1 2057412525 HJXJORNQXHCSPX-SECBINFHSA-N 276.333 0.925 10 10 CCCE Nc1cc2c(cc1N1CC[C@@H]3CNC[C@@H]31)NC(=O)CO2 2191795633 OPAVLWMXYCTGSA-PELKAZGASA-N 274.324 0.398 10 10 CCCE Nc1ccc(OCCS(=O)(=O)N2C[C@H]3C[C@H]2CN3)cc1 2191780144 BGYOVDUPMRGUGN-NEPJUHHUSA-N 297.380 0.024 10 10 CCCE CN(CC(=O)c1ccc(O)c(O)c1)C1(CO)CC1 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0.878 10 10 CCCE CNCc1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CF)cc1OC 2205607268 FENCXSWMRVSQEO-OBJOEFQTSA-N 284.331 0.295 10 10 CCCE CC(C)(C)OC(=O)N1CC=C[C@@H]1COc1nnc(=N)[nH]n1 2209554961 WNCYPSKITQEDGA-MRVPVSSYSA-N 294.315 0.233 10 10 CCCE Cc1cc([C@H](C)O)ccc1N1C[C@H](O)[C@@H](O)[C@@H]1CF 2232105004 RMNADBPUFWKSSW-HBEIAFGSSA-N 269.316 0.928 10 10 CCCE C[C@@H]1Cc2cc(N3CC4(C3)OC[C@H](O)[C@@H]4O)ccc2O1 2235064854 NOJXINDLOAXBLW-LQJRIPTKSA-N 277.320 0.321 10 10 CCCE COc1ccc(N2C[C@H](OC)[C@H](OC)[C@@H]2CO)cc1 2226791755 IODPHWFQOMRKJK-MELADBBJSA-N 267.325 0.906 10 10 CCCE CN1CCc2cc(N3C[C@@H](CO)[C@H](CO)C3)ccc21 2226809582 CVUSZRGGUFSRII-STQMWFEESA-N 262.353 0.716 10 10 CCCE O=C1COC[C@H]2CN(c3ccc(CO)cc3)CCN12 2228650768 BJSMOAFIHKWUEZ-CYBMUJFWSA-N 262.309 0.226 10 10 CCCE N=c1nnc(OC[C@H]2CC(F)(F)C23CCC3)n[nH]1 2254896366 ZXHCSXKNEPGAEU-ZCFIWIBFSA-N 257.244 0.883 10 10 CCCE O=C1Nc2cc(N3C[C@@H]4C[C@H](C3)[C@H]4O)c(F)cc2[C@H]1O 2286216187 XNRBUUNZGAYSPZ-NDHFTHCPSA-N 278.283 0.628 10 10 CCCE CN(C[C@@]1(O)CCCNC1)C(=O)c1cccc(O)c1O 2286407868 FGFZIWDXVCKZHL-CQSZACIVSA-N 280.324 0.284 10 10 CCCE O=S1(=O)C[C@@H]2CN(c3ccc(CO)cc3)C[C@@H]21 2299756106 IIVFKRKMMMYCMF-JQWIXIFHSA-N 253.323 0.412 10 10 CCCE CC(F)(F)c1n[nH]cc1[C@@H](NCCN=[N+]=[N-])C(N)=O 2335676592 AFRGMTOLTIXBHU-ZCFIWIBFSA-N 273.247 0.948 10 10 CCCE CCN(CCN=[N+]=[N-])C[C@@H](O)CN1CCCCC1=O 2337778333 VEJIGKSQQZZQHT-LLVKDONJSA-N 269.349 0.992 10 10 CCCE Oc1cc2c(cc1O)CN(C[C@H]1CNCCO1)CC2 2341210055 DATMLWRJSNPIIU-GFCCVEGCSA-N 264.325 0.444 10 10 CCCE NC(=O)C[C@@H]1CNCCN1c1ccc2c(c1)CCC2 2343259531 HEMBFUVEERIOOI-CQSZACIVSA-N 259.353 0.829 10 10 CCCE Nc1ccc(OCC(=O)NC[C@H](N)C(F)(F)F)cc1 1876525143 IBEQPFAUBSMFAZ-VIFPVBQESA-N 277.246 0.653 10 10 CCCE CC[C@H](NC(=O)c1ccc(O)c(O)c1)C(=O)OC 301759890 WPCKBTSLOBMGDC-QMMMGPOBSA-N 253.254 0.779 10 10 CCCE C[C@@H]1CN(C(=O)c2cccc(O)c2O)CC[C@@H]1N 126709342 FMJIRJWPPBYORO-SCZZXKLOSA-N 250.298 0.907 10 10 CCCE N[C@@H](CO)c1cc(Br)c(O)c(F)c1O 218231864 YVIZNTJWDMVRRT-YFKPBYRVSA-N 266.066 0.992 10 10 CCCE COC(=O)CN1CCN(C(=O)Cc2ccc(N)cc2)CC1 37825901 NDSGJVAHIDVLGX-UHFFFAOYSA-N 291.351 0.129 10 10 CCCE CO[C@H](CN)C(=O)N(C)[C@H](C)c1ccccc1O 227369242 SFRHZLOXJBGUOZ-BXKDBHETSA-N 252.314 0.885 10 10 CCCE C[C@@H]1N[C@H](c2cc(O)cc(Br)c2O)NC1=O 381527593 XKEXWVHJJPVQNL-IGJIYHIXSA-N 287.113 0.967 10 10 CCCE C[C@@H](c1ccc(F)cc1O)N1CCNC[C@@H]1C(=O)N(C)C 89084115 ZTOLPTYVQHGDRW-GXFFZTMASA-N 295.358 0.954 10 10 CCCE COC[C@H](C)NC(=O)COC(=O)Cc1ccc(N)cc1 49291892 PRAGTHLYZHZOTB-JTQLQIEISA-N 280.324 0.506 10 10 CCCE C[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)CC(=O)N1C 282491633 WIMSVHYXJIRCAB-DFVUYQKZSA-N 290.319 0.800 10 10 CCCE CN(CC(=O)N1CCNCC1)c1ccc2c(c1)CCO2 2162643396 NAVNYCNUVCCTFB-UHFFFAOYSA-N 275.352 0.490 10 10 CCCE CN1CCCc2cc([C@@H]3C(=O)NC(=O)CN3C)ccc21 380682992 CQUHMVKYLDLKAJ-CQSZACIVSA-N 273.336 0.698 10 10 CCCE C[C@H](NC(=O)[C@@H]1OCCN(C)C1=O)c1ccccc1O 913763955 WTRUPVMFMWDTLY-CABZTGNLSA-N 278.308 0.427 10 10 CCCE COC(=O)[C@@H]1C[C@]1(N)c1ccc([N+](=O)[O-])cc1O 1952762326 LGVYLLKJMCUDOG-KWQFWETISA-N 252.226 0.647 10 10 CCCE COC[C@@](C)(O)C(=O)NCc1ccc2cccnc2c1O 862027050 HURMGLDDIVMXFX-OAHLLOKOSA-N 290.319 0.954 10 10 CCCE Nc1[nH]ncc1-c1nc2c(s1)CS(=O)(=O)CC2 71382813 AFFQPMZLUPHYNH-UHFFFAOYSA-N 270.339 0.586 10 10 CCCE NCC[C@@H](O)C(=O)NCc1cc(Cl)ccc1O 83430984 OKAOISUBFYFIKW-SNVBAGLBSA-N 258.705 0.372 10 10 CCCE Nc1ccc(NC(=O)N2CC(n3cncn3)C2)cc1 707305429 UOPSRRNFIGVDBU-UHFFFAOYSA-N 258.285 0.949 10 10 CCCE CN(c1cc2c(cc1N)OCCO2)[C@H]1COC[C@H]1O 709342012 CULPZOIOKWEMNT-WDEREUQCSA-N 266.297 0.236 10 10 CCCE O=C(NC[C@@H]1C[C@@H]1C(=O)O)c1ccc(O)c(O)c1 715299503 ZECSHAKNVMAOMR-YUMQZZPRSA-N 251.238 0.548 10 10 CCCE O=C1N[C@@H]2CN(C(=O)c3cccc(O)c3O)C[C@@H]2O1 2120407956 WPDLEMSWVBPIOO-APPZFPTMSA-N 264.237 0.031 10 10 CCCE NCC1CC(F)(CNC(=O)c2cc(O)nc(O)c2)C1 2115644380 XLCSUWQBWYVKRF-UHFFFAOYSA-N 269.276 0.300 10 10 CCCE Oc1c(F)cccc1CN[C@@]12CC[C@@H](C1)[C@@H](O)[C@H]2O 2120394414 LKMNOUYSMMKEHN-IYMWITQMSA-N 267.300 0.895 10 10 CCCE Oc1cccc(CN[C@@]23CC[C@@H](C2)[C@H](O)[C@H]3O)c1O 2120394271 KNRUFJVTBOCNCK-IOEYQFCTSA-N 265.309 0.462 10 10 CCCE C[S@@](=O)C1(CNC(=O)c2cc(O)c(O)c(O)c2)CC1 2132348688 QQPAFNURCHZRKM-LJQANCHMSA-N 285.321 0.444 10 10 CCCE COC(=O)[C@](C)(O)CN1CCC[C@H](CN=[N+]=[N-])C1 1912157333 RAEBNXPBSNLHCH-MWLCHTKSSA-N 256.306 0.933 10 10 CCCE CSCC[C@H](NC(N)=O)C(=O)N1CC[C@@H](N=[N+]=[N-])C1 1912173179 ZPNZVUQKWFIIIQ-SFYZADRCSA-N 286.361 0.688 10 10 CCCE C[C@@H]1CN(C(=O)CN2CC[C@@H](N=[N+]=[N-])C2)CCO1 1912205565 GIZZCQFGLSBJES-NXEZZACHSA-N 253.306 0.618 10 10 CCCE CCOCCOCC(=O)NCc1c(O)cccc1O 1456233686 DYPWYTIRRMAZGR-UHFFFAOYSA-N 269.297 0.767 10 10 CCCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(CO)on1 1466790073 BDRRWEUNSBSMFU-QMMMGPOBSA-N 292.291 0.939 10 10 CCCE CC1(NCc2cccc(F)c2O)CS(=O)(=O)C1 1918376478 BXAWCLCVVRADAE-UHFFFAOYSA-N 259.302 0.808 10 10 CCCE Cn1ncc(C(=O)NCc2c(O)cccc2O)c1N 1639292412 ATUPDYMESYBSJK-UHFFFAOYSA-N 262.269 0.344 10 10 CCCE C[C@@H]1CN(C(=O)Nc2ccc(N)cc2)C[C@@H](CO)O1 229972971 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NC(=O)[C@@H]1CCCN(c2cc3c(cc2N)OCCO3)C1 19868225 ZMDJFADBAJYNAG-SECBINFHSA-N 277.324 0.742 10 10 CCCE CNCCN(CC(F)(F)F)C(=O)c1cc(O)nc(O)c1 2145390200 NLGJUVWFAAINBH-UHFFFAOYSA-N 293.245 0.717 10 10 CCCE CN1CCC[C@H]([C@H](O)CCc2ccc(N)cc2)S1(=O)=O 2145777583 KTIWKCRLQODPKG-ZIAGYGMSSA-N 298.408 0.986 10 10 CCCE C[C@H](NC(=O)c1ccc(O)c(O)c1)[C@@H]1CCS(=O)(=O)C1 2146115803 FVAKSJPQRANRCX-WCBMZHEXSA-N 299.348 0.651 10 10 CCCE C[S@@](=O)C1CN(c2ccc(CN)c(F)c2F)C1 2004527240 ZYHWYHCBGBYYRV-QGZVFWFLSA-N 260.309 0.991 10 10 CCCE C[C@@H](N)c1ccc(N2CC(O)(CO)C2)c(Cl)c1 2004526072 NPWPNCBICKRRBM-MRVPVSSYSA-N 256.733 0.903 10 10 CCCE CNCc1ccc(N2C[C@@H](CO)[C@@H](CCO)C2)c(F)c1 2149907471 JDEICIRKYJXDMO-STQMWFEESA-N 282.359 0.972 10 10 CCCE CCN[C@@H]1C[C@@H](C)CN(C(=O)c2cc(O)nc(O)c2)C1 2149199640 NVBJICNENDKUKN-MWLCHTKSSA-N 279.340 0.953 10 10 CCCE COC[C@@]1(O)CCN(c2ccc3c(c2)NC(=O)[C@H]3O)C1 2151755674 CNYKDDKXRLVLOR-GXTWGEPZSA-N 278.308 0.260 10 10 CCCE Nc1ccc(OC[C@@H](O)CN2C[C@H]3CO[C@@H](C3)C2)cc1 2152296926 ZTKWBYDZEFLTNH-WHOFXGATSA-N 278.352 0.729 10 10 CCCE C[C@@H]1CCN(CC(=O)Nc2ccc(N)cc2)[C@H]1CO 299954981 HEPPHYBRYXMVHA-MFKMUULPSA-N 263.341 0.910 10 10 CCCE COCCCN(C)C[C@@H](O)COc1ccc(N)cc1 62029121 ZHUOUBQRDFDFSC-CYBMUJFWSA-N 268.357 0.977 10 10 CCCE C[C@H](N)Cc1cnc(SC2=NC(=O)CC(=O)N2)s1 2037825502 QCTVGEHQCPYOHK-YFKPBYRVSA-N 284.366 0.527 10 10 CCCE COC(=O)NCCNC(=O)[C@H]1CNc2ccccc2N1 308423262 PNTZUAJMQMKPOI-LLVKDONJSA-N 278.312 0.365 10 10 CCCE Nc1ccc(OCC(=O)N2CCC[C@@](F)(CO)C2)cc1 2157518641 CNZKCDXHONNQDS-AWEZNQCLSA-N 282.315 0.971 10 10 CCCE CN[C@H](C)c1ccc(N2CC[C@@](O)(C(N)=O)C2)cc1 312032187 ZKGWLKLNJORRMN-YGRLFVJLSA-N 263.341 0.394 10 10 CCCE CN1C(=O)[C@@H](O)c2ccc(N3CC(C)(N(C)C)C3)cc21 2160653423 BFDDHPIQWYEGCY-ZDUSSCGKSA-N 275.352 0.837 10 10 CCCE COc1cccc(O)c1CNCCN1CCN(C)CC1 2160700826 INSUMHLHYYNFQL-UHFFFAOYSA-N 279.384 0.738 10 10 CCCE NC(=O)CN1CCC(Nc2c(N)cccc2F)CC1 701019377 YGBGGMLBRXMHMM-UHFFFAOYSA-N 266.320 0.770 10 10 CCCE Nc1ccc(NC(=O)CN2CCCNC(=O)C2)cc1 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CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)Nc1ccc(N)cc1 696862263 WCHIAHPSJPHCBZ-QWRGUYRKSA-N 299.352 0.202 10 10 CCCE NC(=O)[C@H]1C[C@H](NC(=O)c2cccc(O)c2O)C1 862818117 GRLMPTWZGOFPQP-LJGSYFOKSA-N 250.254 0.092 10 10 CCCE CN1CCN([C@H]2CNCc3cc(O)c(O)cc32)CC1 71491374 CCYYMCJCQGDOMW-LBPRGKRZSA-N 263.341 0.490 10 10 CCCE Fc1cc(N2CCNCC2)ccc1CNc1ncn[nH]1 84829113 REAUQZCZCLSVBF-UHFFFAOYSA-N 276.319 0.966 10 10 CCCE O=C(O)[C@H](O)C[C@@H]1NCCc2c(O)ccc(O)c21 75799527 PXKWYJJIGPMWCX-OIBJUYFYSA-N 253.254 0.120 10 10 CCCE C[C@H]1CN(S(=O)(=O)Cc2ccc(N)cc2)C[C@@H]1CO 709096695 AXLUCLQCSSWANF-CMPLNLGQSA-N 284.381 0.659 10 10 CCCE CCOC(=O)[C@](C)(NCCN=[N+]=[N-])c1cn(C)nn1 714946339 NZAURCZRZJJJNP-SNVBAGLBSA-N 267.293 0.493 10 10 CCCE Nc1ccc(CCC(=O)N[C@@H]2CCCS(=O)(=O)C2)cc1 69140219 JLDKVIDXNGEAOA-CYBMUJFWSA-N 296.392 0.895 10 10 CCCE CN(Cc1nc[nH]n1)C(=O)COc1ccc(N)cc1 83840663 KRQYKMHTYRCNHC-UHFFFAOYSA-N 261.285 0.424 10 10 CCCE C[C@@H](NC(=O)[C@@H](N)CN(C)C)c1ccccc1O 877255633 GBCNHPKPEQYEEO-KOLCDFICSA-N 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N[C@H]1CCc2cc(N3CC[C@H](O)C[C@@H]3CO)ccc21 2136080027 INNUALSWWDMOIG-IPYPFGDCSA-N 262.353 0.955 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@@H](c2nc[nH]n2)C1 1469255459 BMHOMOFTZLVCDT-SNVBAGLBSA-N 288.307 0.775 10 10 CCCE OCC1(NCc2ccc(O)c(O)c2O)CCOCC1 226755488 ZEMAQRGKDGIMLX-UHFFFAOYSA-N 269.297 0.435 10 10 CCCE CCN(C)C(=O)[C@@H](C)NC(=O)COc1ccc(N)cc1 231838217 CKZYTKREIYCETA-SNVBAGLBSA-N 279.340 0.631 10 10 CCCE COc1cc(N(CCO)CCN(C)C)ccc1CN 2139700168 GLHQFRZMEGETJG-UHFFFAOYSA-N 267.373 0.514 10 10 CCCE CN(C)C[C@H]1C[C@H](O)CN1c1ccc(CN)c(F)c1F 234281030 RWCGBJOLUXLFGU-MNOVXSKESA-N 285.338 0.925 10 10 CCCE COCC(O)(CNCc1cc(F)cc(F)c1O)COC 1875695816 XLIOVLNONPDYHU-UHFFFAOYSA-N 291.294 0.784 10 10 CCCE CCCOc1cc(N2C[C@@H](N)C[C@H](O)C2)ccc1N 1876395461 KNWCFYFTSGKZQV-JQWIXIFHSA-N 265.357 0.956 10 10 CCCE CCOC(=O)c1cccc(N)c1N[C@@H]1COC[C@H]1N 1876463741 UWLDBCBWCUQUTH-GHMZBOCLSA-N 265.313 0.584 10 10 CCCE Nc1ccc(CNS(=O)(=O)c2cncc(N)c2)cc1 1876408912 KZFKGIIWVYJLOU-UHFFFAOYSA-N 278.337 0.725 10 10 CCCE C[C@@H](NC(=O)C1(O)CCNCC1)c1ccccc1O 1877586379 AMMDUIZIXBRDMK-SNVBAGLBSA-N 264.325 0.684 10 10 CCCE COCCN(C(=O)c1cccc(O)c1O)C1COC1 1879144894 TYKUGJIXDMWOPO-UHFFFAOYSA-N 267.281 0.585 10 10 CCCE Nc1ccc(CC(=O)NC[C@]2(CO)CCCO2)cc1 1879594371 BHPZTUSTQMFUDY-AWEZNQCLSA-N 264.325 0.469 10 10 CCCE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCN=[N+]=[N-] 1882298451 RQTDGYQSUQGYHO-JGVFFNPUSA-N 287.320 0.687 10 10 CCCE O=S1(=O)CC[C@@H](CNCc2c(O)cccc2Cl)N1 1965975779 HNROFKQRUQZKNP-QMMMGPOBSA-N 290.772 0.827 10 10 CCCE Cn1ncc(N)c1C(=O)NCCc1ccc(O)c(O)c1 2148016278 OLBHAJRRJRIALD-UHFFFAOYSA-N 276.296 0.386 10 10 CCCE C[C@@H]1C[C@H]2CNC[C@H]2N1C(=O)c1cccc(O)c1O 253100672 WRWRAQSZRDICPZ-WCABBAIRSA-N 262.309 0.920 10 10 CCCE CN(C)[C@H]1CN(CCCOc2ccc(N)cc2)C[C@H]1O 2146137603 KBVDKOGDFXBCER-LSDHHAIUSA-N 279.384 0.644 10 10 CCCE N=c1[nH]c(CC(=O)C(=O)C[C@H]2C[C@H](N)C2)cs1 2003172345 JRTQYSPPRIOXFQ-LJGSYFOKSA-N 253.327 0.364 10 10 CCCE NC(=O)[C@H]1CCCN(c2ccc3c(c2)NC(=O)[C@@H]3N)C1 36193491 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0.979 10 10 CCCE O=C(C[C@@H]1COCCN1)NCCc1ccc(O)c(O)c1 1968739650 UKEBEYNYVCNUJT-LLVKDONJSA-N 280.324 0.135 10 10 CCCE CN(CCN(C)S(C)(=O)=O)Cc1c(O)cccc1F 1971683066 OUSSBMXDELAWBM-UHFFFAOYSA-N 290.360 0.855 10 10 CCCE Cc1cccc(CN[C@@H]2C[C@H]3C[C@H]2[C@@H](O)[C@H]3O)c1O 1974157643 NXGJRDRMHVXXSS-MYYUVRNCSA-N 263.337 0.920 10 10 CCCE COCC(COC)(COC)NCc1cccc(O)c1O 2150505862 PKMXVKJOZLJQTM-UHFFFAOYSA-N 285.340 0.865 10 10 CCCE CCS(=O)(=O)NC1CN(c2ccc(N)cc2)C1 2001182987 ALCDHSLSIIYGHT-UHFFFAOYSA-N 255.343 0.397 10 10 CCCE N[C@H]1CN(C(=O)c2ccc(O)c(O)c2)[C@]2(CCOC2)C1 2154533361 ZNIWYDQBMSZJIL-QMTHXVAHSA-N 278.308 0.430 10 10 CCCE COC1(CO)CN(c2ccc([C@H](C)O)c(O)c2)C1 2039556688 UZINYXBFEXXFSU-VIFPVBQESA-N 253.298 0.643 10 10 CCCE CN1C[C@H](O)[C@H](NC(=O)Nc2ccc(N)cc2)C1 2029866812 LKARZDAVEMBURK-MNOVXSKESA-N 250.302 0.065 10 10 CCCE CO[C@H]1CN(C)C[C@@H]1NCc1cc(F)ccc1O 2034334003 KHPMTARBMMFDGS-AAEUAGOBSA-N 254.305 0.950 10 10 CCCE COc1ccc(O)c(CNC[C@@H]2COC[C@H]2O)c1 2036567976 KPQMTRRNLZNRRH-ZWNOBZJWSA-N 253.298 0.498 10 10 CCCE NS(=O)(=O)CCN[C@@H]1CCc2cccc(O)c21 310167814 OMBFRXQDJGLQAU-SECBINFHSA-N 256.327 0.258 10 10 CCCE COC(=O)[C@@H](C)NC(=O)NCCc1ccc(O)c(O)c1 2157029734 PSFQYFJNHDCLAY-MRVPVSSYSA-N 282.296 0.501 10 10 CCCE Nc1ccc(NC(=O)C[S@@](=O)CC(=O)NC2CC2)cc1 312217307 XCYMNKGQPQGELN-HXUWFJFHSA-N 295.364 0.235 10 10 CCCE CC[C@H](NC(=O)c1cc(O)nc(O)c1)[C@H](O)CC 313121254 RTUFCWAQNCDXTO-DTWKUNHWSA-N 254.286 0.772 10 10 CCCE C[C@@H]1C[C@H](C(=O)O)N(C(=O)Cc2ccc(O)c(O)c2)C1 2159232791 FEHVLZUTKWXLSC-PSASIEDQSA-N 279.292 0.962 10 10 CCCE CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1COCCN1 88370436 ZRHYTDFBRZFJHW-AWEZNQCLSA-N 277.368 0.699 10 10 CCCE O=C1NC(=O)[C@]2(CCCN(c3ccc(CO)cc3)C2)N1 2170618579 PYPHCWRSVHOOTG-CQSZACIVSA-N 275.308 0.357 10 10 CCCE NC(=O)[C@H]1CCCN1c1cc2c(cc1Cl)[C@H](N)C(=O)N2 703154987 DIFVYYVIZGKVLH-KOLCDFICSA-N 294.742 0.746 10 10 CCCE CN1C(=O)N[C@@H]2CN(c3ccc(CO)cc3F)CC[C@H]21 2171297725 RURFDDGVICAAAT-DGCLKSJQSA-N 279.315 0.920 10 10 CCCE C[C@@H](C(=O)Nc1ccc(N)cc1)N1C[C@@H](O)[C@H](C)C1 387594665 PMOONUOMHAFOIG-GBIKHYSHSA-N 263.341 0.908 10 10 CCCE C[C@H](NCc1nnnn1C)c1ccc(F)cc1O 389337550 YZEFPYXFCHZSST-ZETCQYMHSA-N 251.265 0.906 10 10 CCCE NC(=O)N1CC[C@H](NC(=O)Nc2ccc(N)cc2)C1 393281914 YBUXMNWNJMPVQG-JTQLQIEISA-N 263.301 0.543 10 10 CCCE CNC(=O)[C@@H]1CCN(CCOc2ccc(N)cc2)C1 398449174 ATPZTLBWITUOJH-LLVKDONJSA-N 263.341 0.716 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CCO[C@H](CCO)C3)ccc21 2172871581 NREOLIDUAUWURV-MFKMUULPSA-N 277.324 0.226 10 10 CCCE CC1(C(N)=O)CN(C(=O)c2cccc(O)c2O)C1 843940985 CZBPXLLNRFHBPB-UHFFFAOYSA-N 250.254 0.045 10 10 CCCE C[C@H]1CN(C(=O)c2cccc(O)c2O)C[C@H](CCN)O1 2179377731 YBLIDTVNKKIFLX-UWVGGRQHSA-N 280.324 0.676 10 10 CCCE [N-]=[N+]=NCCN1CCN(S(=O)(=O)C(F)(F)F)CC1 2256023749 PVUNNFAKCGPHHU-UHFFFAOYSA-N 287.267 0.764 10 10 CCCE N[C@@H]1COC[C@H]1CC(=O)NCCc1ccc(O)c(O)c1 2187946788 BSNQYNWCPWZYIB-GHMZBOCLSA-N 280.324 0.120 10 10 CCCE C[C@H](NC(=O)[C@@]12CNC[C@@H]1COC2)c1ccccc1O 2192621948 IJTUXOYSNUUSTB-FIXISWKDSA-N 276.336 0.805 10 10 CCCE O=[N+]([O-])c1cc(N2CCC(O)(CO)CC2)ccc1CO 2188575613 IYMKLUDJEUAHPF-UHFFFAOYSA-N 282.296 0.411 10 10 CCCE CC(C)SC[C@@H](N)C(=O)C(=O)C[C@H]1C[C@H](N)C1 1906906492 SXHURMPJCSNGTG-OPRDCNLKSA-N 258.387 0.721 10 10 CCCE COCCOCCCNC(=O)c1cc(O)c(O)c(O)c1 2188867473 BCXUHFVKKWRFFZ-UHFFFAOYSA-N 285.296 0.586 10 10 CCCE COCCOCCN(C)C(=O)c1cc(O)c(O)c(O)c1 2188867442 AEVRXIHTGDEBJE-UHFFFAOYSA-N 285.296 0.538 10 10 CCCE Nc1ccc(COCCOCCOCCO)cc1 221659859 WTIMFIKHQVHLSA-UHFFFAOYSA-N 255.314 0.811 10 10 CCCE CNCc1ccc(N2CC3(C2)OC[C@H](O)[C@@H]3O)c(C)c1 2183636404 GYINFGCCPPUPHI-KBPBESRZSA-N 278.352 0.025 10 10 CCCE CN1C[C@H](O)[C@@H](Nc2c(N)cccc2C(=O)O)C1 2046435038 ZQXRDORVPNZLFS-UWVGGRQHSA-N 251.286 0.054 10 10 CCCE COC1(C(N)=O)CN(c2ccc3c(c2)CCC[C@@H]3N)C1 2184683836 FONBUKDMXGIVBD-ZDUSSCGKSA-N 275.352 0.713 10 10 CCCE C[C@H](O)C[C@@H]1COCCN1C(=O)c1ccc(O)c(O)c1 2185337752 PDKDACWFJQKFHQ-GXSJLCMTSA-N 281.308 0.710 10 10 CCCE CO[C@@H]1CN([C@H](C)c2ccc(O)cc2O)C[C@H]1N 2058774353 DJIDFWDGEDKAHA-XTWCZFFVSA-N 252.314 0.817 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC2(CC[C@@H]2O)C1 2059149874 ZLBIZSYKBKHUFM-QMMMGPOBSA-N 250.254 0.090 10 10 CCCE [N-]=[N+]=NCCCN[C@@]1(C(=O)O)C[C@H]2CN[C@@H](C2)C1 2062826527 WTTVVSFYWJAHCY-QXEWZRGKSA-N 253.306 0.872 10 10 CCCE CN(c1ccc2c(c1)CCC[C@@H]2O)C(CO)CO 2065025286 NJEXMIQQHLERPH-AWEZNQCLSA-N 251.326 0.846 10 10 CCCE Oc1ccc(CN2C[C@H](O)CC23CNC3)c(O)c1 2066538125 PUFNPRNUJGGEIF-LLVKDONJSA-N 250.298 0.006 10 10 CCCE CN(C[C@@H]1CCN1C)C[C@@H](O)COc1ccc(N)cc1 2186456692 DUMBTQXUCDMYAC-UONOGXRCSA-N 279.384 0.644 10 10 CCCE COCCCN(C)C(=O)c1cc(O)c(O)c(O)c1 2068566074 HJPDCBLGOXRVTG-UHFFFAOYSA-N 255.270 0.912 10 10 CCCE NCc1nc(=NC(=O)Nc2ccc(N)cc2)s[nH]1 2071566522 FSVVMWMSFITHHO-UHFFFAOYSA-N 264.314 0.645 10 10 CCCE C[C@H]1CN(c2cc3c(cc2N)OCC(=O)N3)CC[C@@H]1N 2191597901 TVUPMJGEAKHZDI-IUCAKERBSA-N 276.340 0.773 10 10 CCCE C[C@@H](O)c1cc(F)c(N2C[C@H](O)[C@H](O)C2)c(F)c1 2074078356 RUURLFPKODMEIG-PFZYVWIYSA-N 259.252 0.560 10 10 CCCE CC1(C)[C@H](CO)OCCN1Cc1cc(N)ccc1O 2103382417 UIZJNGDBWXJXBU-ZDUSSCGKSA-N 266.341 0.946 10 10 CCCE CN1CCc2cc([C@H](NN)c3ccn(C)n3)ccc21 2106854102 YVUSRDZREYGBSU-AWEZNQCLSA-N 257.341 0.965 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1C[C@@H]2CCNC[C@@H]2C1 2087094544 KZSPALUOOYRPOR-WCBMZHEXSA-N 263.297 0.174 10 10 CCCE C[C@H]1OCCO[C@H]1CNC(=O)c1cccc(O)c1O 2087417415 XECLJYLBFAGDQN-KCJUWKMLSA-N 267.281 0.632 10 10 CCCE C[C@@H]1CNC[C@H]1CNC(=O)Cc1ccc(O)c(O)c1 2087724760 KYOPXBVJCJVDNT-KOLCDFICSA-N 264.325 0.612 10 10 CCCE Oc1cc2c(cc1CN[C@@H]1C[C@@H](O)C[C@H]1O)OCO2 2108796750 FLEFLFOOLLFVQW-FXPVBKGRSA-N 267.281 0.095 10 10 CCCE COc1ccc(CN2CC[C@@H](O)C[C@@H]2C(=O)O)c(O)c1 2201081275 FMTDJESDKPUSJX-ZYHUDNBSSA-N 281.308 0.811 10 10 CCCE Cc1cc(N2CCN(C3COC3)CC2)ccc1CN 2113283355 IUFSESYXUADWCM-UHFFFAOYSA-N 261.369 0.975 10 10 CCCE CCOC1(C(=O)O)CN(Cc2ccc(O)c(O)c2)C1 2114384624 OGBZGCJGFWZPBW-UHFFFAOYSA-N 267.281 0.773 10 10 CCCE CCN(Cc1cc(C)ccc1O)[C@@H]1CC(=O)NC1=O 2114735610 RETGTGJSOBAPKY-LLVKDONJSA-N 262.309 0.938 10 10 CCCE CN1CCN(C(=O)Nc2ccc(N)cc2)[C@@H](CCO)C1 2202830831 QSBUPRVIFIMZIG-ZDUSSCGKSA-N 278.356 0.799 10 10 CCCE CNCc1ccc(N2C[C@H](O)[C@@H]3COC[C@H]32)cc1OC 2204549761 PBIVWCQDEOSXBM-MCIONIFRSA-N 278.352 0.611 10 10 CCCE COc1cc(N2CC[C@](C)(O)[C@@](C)(O)C2)ccc1CO 2204549021 HEUDFGGUIPOQPQ-GJZGRUSLSA-N 281.352 0.900 10 10 CCCE CO[C@@H]1CN(c2ccc3c(c2)CCO3)[C@H](CO)[C@H]1OC 2235089209 JENWICINDRRJRO-BPLDGKMQSA-N 279.336 0.832 10 10 CCCE CNC(=O)N1CCN(c2ccc(OC)cc2CN)CC1 2235962993 NJLQIXNAAAEOSW-UHFFFAOYSA-N 278.356 0.615 10 10 CCCE OC[C@H]1C[C@@H](O)CN1c1ccc2c(c1)OC(F)(F)O2 2226696272 IVPDWRALIOVVCZ-RKDXNWHRSA-N 273.235 0.940 10 10 CCCE COC[C@@H]1[C@H](O)[C@H](O)CN1c1ccc(OC)cc1C 2226753580 XWWYUDKQASAIQL-MCIONIFRSA-N 267.325 0.560 10 10 CCCE O[C@@H]1C[C@@H](O)CN(c2ccc3c(c2)OCCCO3)C1 2226806994 DRDNTLAPPWPGMP-VXGBXAGGSA-N 265.309 0.780 10 10 CCCE C[C@@]1(Cn2ccc3c(c2=O)CNCC3)CCNC1=O 2228431193 MSSHBLXBXKCRRP-AWEZNQCLSA-N 261.325 0.020 10 10 CCCE CSc1ncc(CNC(=O)[C@H](N)C2COC2)s1 2248704817 LJJIEHOVUVRTSZ-MRVPVSSYSA-N 273.383 0.455 10 10 CCCE C[C@H]1[C@H](O)CCN1c1ccc2c(c1)N(C)C(=O)[C@@H]2O 2273246156 OHPUDVCKZPRRDI-ZEGGKSINSA-N 262.309 0.656 10 10 CCCE COc1ccc(N2CC[C@@H]2[C@H](O)CO)c(OC)c1C 2278065841 OOAORDKGAPGIEI-ZYHUDNBSSA-N 267.325 0.944 10 10 CCCE COc1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CF)cc1F 2312394194 HPWDOAFKCKMBOR-UMNHJUIQSA-N 259.252 0.714 10 10 CCCE Cc1cc(N2C[C@@H]3[C@H](C2)CS3(=O)=O)ccc1CCN 2336404512 XRCFCXQLWOCDHR-TZMCWYRMSA-N 280.393 0.729 10 10 CCCE O=C1NC2(CO1)CN(c1ccc3c(c1)CC[C@H]3O)C2 2351839022 XJOWOUGMUXWGKL-GFCCVEGCSA-N 260.293 0.965 10 10 CCCE Nc1ccc(N2C(=O)[C@H]3C[C@@H]4OCC[C@@H]4N3C2=O)cc1 2353873361 VRJPXHKSVRVZIP-TUAOUCFPSA-N 273.292 0.967 10 10 CCCE CC1(C)[C@H]2C(=O)N(CC(=O)Nc3ccc(N)cc3)C(=O)[C@H]21 68689139 XGFDNFCXZVHGGV-TXEJJXNPSA-N 287.319 0.848 10 10 CCCE CCOC[C@@H](O)CNCc1cc(OC)ccc1O 311183645 BDYSFTOWPJGUDD-NSHDSACASA-N 255.314 0.888 10 10 CCCE CS(=O)(=O)CCS(=O)(=O)Cc1ccc(N)cc1 111238126 PCTHFLXNJFQGOP-UHFFFAOYSA-N 277.367 0.228 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1[C@H]2CC[C@@H]1[C@@H](O)[C@H](O)C2 2357024824 MYYVCYJERSNLDX-HIAZDOBYSA-N 279.292 0.197 10 10 CCCE O=C(NCc1cccnn1)c1cc(O)c(O)c(O)c1 1148589900 QAWCSEXYFBZWNP-UHFFFAOYSA-N 261.237 0.523 10 10 CCCE CCOC(=O)[C@@H](CN)c1cc(O)c(O)c(OC)c1 1951724122 NFHHYLKVWPJGBG-QMMMGPOBSA-N 255.270 0.712 10 10 CCCE CN(C)c1ccc(CNC2CCN(CC(N)=O)CC2)cc1 35255155 IXXDYPFLGDWTRU-UHFFFAOYSA-N 290.411 0.792 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCCC1CC1 88456241 JMMOPGYUWMIFMX-NSHDSACASA-N 264.325 0.884 10 10 CCCE CC(C)[C@@H](CO)NC(=O)COc1ccc(N)cc1 92390835 IWMSLBWKLJPBMH-GFCCVEGCSA-N 252.314 0.781 10 10 CCCE N[C@H](c1ccc(N2CCCC2)cc1)[C@@H](O)C(=O)O 1952114347 KURNMFLJZRKNMW-VXGBXAGGSA-N 250.298 0.732 10 10 CCCE CC(=O)C(=O)COC(=O)[C@@H](C)c1c(C)nn(C)c1C 808510337 OIPIZTARYWVEGX-ZETCQYMHSA-N 266.297 0.842 10 10 CCCE COc1cccc(OC)c1CC(=O)OCC(=O)C(C)=O 808526794 SXPPMPDBVUIZQQ-UHFFFAOYSA-N 280.276 0.948 10 10 CCCE CN1CCc2cc([C@@H](NN)[C@H]3CCS(=O)(=O)C3)ccc21 2163135130 HDRCCYBVEYNTBX-GXTWGEPZSA-N 295.408 0.618 10 10 CCCE C[S@](=O)CC1CN(C[C@H](O)COc2ccc(N)cc2)C1 2166658682 ZNSIUVUMHRREGR-RBZFPXEDSA-N 298.408 0.319 10 10 CCCE COC1(CCNC(=O)Cc2ccc(O)c(O)c2)CNC1 2167028156 CDQWAZCTPTUGLF-UHFFFAOYSA-N 280.324 0.135 10 10 CCCE COc1ccc(N2CC[C@H](NC(=O)CO)C2)cc1 855234208 VEWUZGIVPVFFQH-JTQLQIEISA-N 250.298 0.382 10 10 CCCE O=C(NCc1cccc(O)c1O)[C@]1(O)CCSC1 1123889095 MMQLKUZLUOGSCX-LBPRGKRZSA-N 269.322 0.582 10 10 CCCE Oc1cc2c(c(O)c1O)CCN[C@@H]2[C@@H]1CCCN1 75818852 OYYSTZDGDAGRGL-ONGXEEELSA-N 250.298 0.742 10 10 CCCE CC[C@@H]1CN(C[C@H](O)CO)c2cc3c(cc2N1)OCCO3 76930334 HNALELWJZKQJMA-MNOVXSKESA-N 294.351 0.822 10 10 CCCE CCOc1cccc([C@@H](N)c2nnc(CO)o2)c1O 83480951 ZYUVIDLTASRCMK-SNVBAGLBSA-N 265.269 0.714 10 10 CCCE c1cc(N2CCNCC2)ccc1OC[C@H]1COCCO1 708575155 DYNCQHKWADGOGH-OAHLLOKOSA-N 278.352 0.890 10 10 CCCE CN(c1ccc(CN)c(F)c1F)[C@@H]1COC[C@@H]1O 709421296 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COCCCCN(CC(N)=O)Cc1ccc(N)cc1 228696444 FHCGGRLLIGQQDO-UHFFFAOYSA-N 265.357 0.983 10 10 CCCE COc1ccc(CNC2CN(C(C)=O)C2)c(O)c1 1926265385 CSFSHAHZNJHURQ-UHFFFAOYSA-N 250.298 0.721 10 10 CCCE Cc1cc(CO)ccc1N1CCN(C)C[C@@H]1CCO 2138070056 UNNUCYFGNYMYTM-AWEZNQCLSA-N 264.369 0.990 10 10 CCCE Cc1ccnc2nc(C(=O)NCc3cccc(O)c3O)nn12 1643809234 IDHFFTWZKNLYGM-UHFFFAOYSA-N 299.290 0.774 10 10 CCCE C[C@@H]1CN(C(=O)Cc2ccc(N)cc2)C[C@H](CO)O1 229936197 DJUNLLIQJCDJSC-ZWNOBZJWSA-N 264.325 0.420 10 10 CCCE CCC(=O)N1CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1 169824406 IZKOVMUIQJEYOR-UHFFFAOYSA-N 294.307 0.498 10 10 CCCE CCCOc1cc(N2C[C@H](O)[C@@H](O)C2)ccc1[N+](=O)[O-] 233250889 VNJAJBDYDRSMNX-RYUDHWBXSA-N 282.296 0.925 10 10 CCCE C[C@@H](NC(=O)[C@H](N)CCC(N)=O)c1ccccc1O 2141251657 WDUYHXSGSLAVHC-PSASIEDQSA-N 265.313 0.162 10 10 CCCE O=C1NC[C@H]2[C@H]1CCCN2C(=O)c1ccc(O)c(O)c1 236581098 IOGABMQYFJITAV-ZJUUUORDSA-N 276.292 0.448 10 10 CCCE O=S1(=O)CC[C@@H]1CNCc1cccc(F)c1O 1945537041 ZXPLMBBMHQYSOC-SECBINFHSA-N 259.302 0.808 10 10 CCCE CN=c1nc(C)[nH]c(=N[C@@H](C)c2ccccc2O)[nH]1 1877590312 SADZGFRYABKCFV-QMMMGPOBSA-N 259.313 0.944 10 10 CCCE C[C@@H](O)c1cc(F)c(N2CC[C@](O)(CO)C2)c(F)c1 1880481006 AYOGIJNKUGCDKC-AMIZOPFISA-N 273.279 0.952 10 10 CCCE C[C@H](O)c1cc(F)c(N2CC[C@@](O)(CO)C2)c(F)c1 1880481009 AYOGIJNKUGCDKC-SDBXPKJASA-N 273.279 0.952 10 10 CCCE CO[C@H](CO)CNCc1cc2c(cc1O)OCO2 1964587804 LZYMMNXDJSDULI-VIFPVBQESA-N 255.270 0.218 10 10 CCCE COc1cccc(O)c1CNC[C@@H]1CCS(=O)(=O)N1 1967798424 SSSHITAGZKQEGA-VIFPVBQESA-N 286.353 0.182 10 10 CCCE C[C@@H]1CN(c2ccc3c(c2)N(C)C(=O)[C@H]3N)CC[C@H]1O 253181522 IRIJILKZINJUGI-FZQKWOKYSA-N 275.352 0.870 10 10 CCCE CC1CC(CO)(NC(=O)Cc2ccc(O)c(O)c2)C1 1972489114 QKJGGXVWLXRBGN-UHFFFAOYSA-N 265.309 0.918 10 10 CCCE Nc1ccc(CC(=O)N2CC(=O)N[C@@H]3CC[C@H]32)cc1 1972884533 YJMKOLFORYUGCF-VXGBXAGGSA-N 259.309 0.301 10 10 CCCE CN(Cc1ccc(N)cc1)C(=O)C1=NN(C)C(=O)CC1 2148892862 YQWJZZRQEHZMQG-UHFFFAOYSA-N 274.324 0.835 10 10 CCCE CN1CCN(c2ccc([C@H](N)CO)cc2F)CC1 258636583 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Nc1ccc(NC(=O)C[S@](=O)CC(=O)NC2CC2)cc1 312217306 XCYMNKGQPQGELN-FQEVSTJZSA-N 295.364 0.235 10 10 CCCE CN(CC(=O)Nc1ccc(N)cc1)[C@H]1CCCNC1=O 2171084390 YGAVKCTYWIYNGL-LBPRGKRZSA-N 276.340 0.418 10 10 CCCE CCC1(O)CN(c2ccc3c(c2)NC(=O)[C@H]3NC)C1 384091164 BUKOUGBGYVKUCZ-LBPRGKRZSA-N 261.325 0.860 10 10 CCCE O=C(N[C@H](CO)C1CCCC1)c1cc(O)nc(O)c1 386161873 LBYZUUQHQSOROW-SNVBAGLBSA-N 266.297 0.774 10 10 CCCE CC(C)NCCS(=O)(=O)NCc1ccccc1O 722215307 YQYPJKISEYDZIO-UHFFFAOYSA-N 272.370 0.810 10 10 CCCE C[C@@H](N[C@@H]1CN(C)NC1=O)c1ccc(N(C)C)cc1 393924226 PFVMOMCEXQQNTA-ZWNOBZJWSA-N 262.357 0.748 10 10 CCCE Oc1ccc(-c2nc(CCn3cncn3)no2)cc1O 396034875 XXJFXUPZCUAEAU-UHFFFAOYSA-N 273.252 0.982 10 10 CCCE N=C(C[C@@H]1CCN(C(=O)c2ccc(O)c(O)c2)C1)NO 397580251 FQCSFMQXSWMPLW-QMMMGPOBSA-N 279.296 0.906 10 10 CCCE OCc1cc(F)c(N2C[C@@H]3[C@H](CO)CO[C@H]3C2)c(F)c1 2178086788 NPMRXHCQWJHVIZ-BREBYQMCSA-N 285.290 0.901 10 10 CCCE C[C@@H]1C(=O)N(CCOc2ccc(N)cc2)C[C@@H]1C(=O)O 2175604013 MWSFDZOZRLICKW-CABZTGNLSA-N 278.308 0.827 10 10 CCCE NCCN(CCO)c1ccc2c(c1)OCCCO2 1163836965 OHFXVUJBAAOENL-UHFFFAOYSA-N 252.314 0.605 10 10 CCCE CN1CC[C@@H](NS(=O)(=O)Cc2ccc(N)cc2)CC1=O 2188502190 YJVFTEGXIUBIAW-GFCCVEGCSA-N 297.380 0.309 10 10 CCCE O=C(O)C1=CC[C@H](NC(=O)c2cc(O)c(O)c(O)c2)C1 2188868304 OYPIUNZWNGTPPL-QMMMGPOBSA-N 279.248 0.707 10 10 CCCE NC(=O)[C@@]1(O)CCCN(c2ccc3c(c2)CC[C@@H]3N)C1 2184738795 XYWGZTGCHGMEQQ-DZGCQCFKSA-N 275.352 0.449 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3C[C@H]4C[C@@H](O)C[C@H]4C3)ccc21 2185190825 SBCTXPBRGALYLW-VKZHRDFRSA-N 273.336 0.846 10 10 CCCE Nc1ccc(OCC(=O)N2C[C@@H]3CC[C@]3(CO)C2)cc1 2198854718 ZPHHNQGNOGNBOI-XHDPSFHLSA-N 276.336 0.879 10 10 CCCE [N-]=[N+]=NCCCCN1CCN[C@H]2CS(=O)(=O)C[C@H]21 2054254079 WWDVNYVAMVYWFG-VHSXEESVSA-N 273.362 0.148 10 10 CCCE Nc1cc2c(cc1N1CC[C@H]3CNC[C@@H]31)NC(=O)CO2 2191795636 OPAVLWMXYCTGSA-UFBFGSQYSA-N 274.324 0.398 10 10 CCCE C[C@H](CS(=O)(=O)Nc1ccc(O)c(F)c1)C(=O)O 2063559362 MFCGECSGRNMBER-ZCFIWIBFSA-N 277.273 0.994 10 10 CCCE CN[C@H](C)c1ccc(N2CC[C@@H](O)[C@@H](O)C2)cc1 2068371781 YELMHKWCXKAROB-HONMWMINSA-N 250.342 0.899 10 10 CCCE OC[C@@H](O)C1(NCc2cc(F)cc(F)c2O)CC1 2069747999 ZZWCNILXXRQGSS-SNVBAGLBSA-N 259.252 0.646 10 10 CCCE CC(C)N(CCN)S(=O)(=O)Cc1ccc(N)cc1 2071564977 GGIZHFGTGRNAEP-UHFFFAOYSA-N 271.386 0.768 10 10 CCCE C[C@@H](N=c1[nH]c(N(C)C)nc(=N)[nH]1)c1ccccc1O 2192626529 QKUPBPIAVOHCRF-MRVPVSSYSA-N 274.328 0.651 10 10 CCCE O=C1CCC[C@@H](CNC(=O)c2cc(O)nc(O)c2)C1 2100300061 SOVZINFLGBYWTF-MRVPVSSYSA-N 264.281 0.982 10 10 CCCE CN(C)c1ccc(CN[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1 2104184119 CZJIWQMYRMVUCM-OLZOCXBDSA-N 284.381 0.000 10 10 CCCE CNCc1ccc(N2CC(F)(CO)C2)cc1OC 2084005576 QEISRIGSICMHGJ-UHFFFAOYSA-N 254.305 0.935 10 10 CCCE Cc1cccc(O)c1CN1C[C@@H](N)C[C@@H](C(N)=O)C1 2104509869 YBKCZYRKDLXSBY-MNOVXSKESA-N 263.341 0.335 10 10 CCCE CNCc1ccc(N2CC(OCCCO)C2)cc1 2085893371 AXXLMFJSNCVUFP-UHFFFAOYSA-N 250.342 0.994 10 10 CCCE C[C@@H]1Cc2cc(N3CCNC[C@H]3C(N)=O)ccc2O1 2106333047 ZZHKREOVKATEOD-SKDRFNHKSA-N 261.325 0.274 10 10 CCCE O=C(N[C@@]12CCCNC[C@H]1C2)c1cccc(O)c1O 2090777459 SOKGSXAPSBNBQU-YMTOWFKASA-N 262.309 0.970 10 10 CCCE CN(C)c1ccc([C@H](O)C(=O)c2cnnn2C)cc1 2090853922 GYGHWGORKMXULA-LBPRGKRZSA-N 260.297 0.797 10 10 CCCE CN1CCN(c2ccc(CO)cc2[N+](=O)[O-])[C@@H]2C[C@@H]21 2112100228 CVKPXGBWVCNGNZ-NWDGAFQWSA-N 263.297 0.980 10 10 CCCE NC(=O)[C@@H]1C[C@@H](N)CN(Cc2c(O)cccc2Cl)C1 2094666460 PZDNHDFRMPSWIN-RKDXNWHRSA-N 283.759 0.680 10 10 CCCE O=C(O)[C@@H]1C[C@@H](F)CN1C(=O)c1ccc(O)c(O)c1 2095586762 OULJOEBCRBGSBX-SFYZADRCSA-N 269.228 0.735 10 10 CCCE O=C(O)[C@H]1C[C@H](F)CN1C(=O)c1ccc(O)c(O)c1 2095598925 OULJOEBCRBGSBX-JGVFFNPUSA-N 269.228 0.735 10 10 CCCE Oc1ccc(CNCc2nnnn2C2CC2)c(O)c1 2113070010 OUJMNXRDKBKHMT-UHFFFAOYSA-N 261.285 0.709 10 10 CCCE Oc1ccc(CN[C@@H]2CCC[C@@H](O)[C@@H]2O)cc1O 2217641913 JJVOYMBATNZKAI-IRUJWGPZSA-N 253.298 0.462 10 10 CCCE NCc1ccc(N2C[C@@H]3[C@H]4C[C@@H]([C@H](O)[C@@H]4O)[C@@H]3C2)cc1 2237057071 RAKFABHZSDCWBN-FWXGHANASA-N 274.364 0.569 10 10 CCCE 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Nc1ccc(OCCC(=O)N[C@H]2CN3CC[C@H]2C3)cc1 2158764456 IUQITOGRVBKREX-FZMZJTMJSA-N 275.352 0.858 10 10 CCCE CN(C)[C@H]1CN(Cc2cc(N)ccc2O)C[C@H]1O 2029417865 MOVLSYWYUBNVTK-WCQYABFASA-N 251.330 0.081 10 10 CCCE O=[N+]([O-])c1ccc(N2C[C@H](O)[C@@H](F)C2)cc1CO 2031870002 HILZPYXZEPFFTN-ONGXEEELSA-N 256.233 0.606 10 10 CCCE NCc1ccc(N2C[C@H](O)[C@@H]3COC[C@@H]32)cc1F 2040600389 OGEHXHAVISFOAP-WXHSDQCUSA-N 252.289 0.480 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCc1ccns1 404335822 GZYYUEDFAFIECR-JTQLQIEISA-N 293.348 0.741 10 10 CCCE [N-]=[N+]=NCCCNC(=O)Cc1cc(O)nc(O)n1 701263586 HBPSACVFJSUKLH-UHFFFAOYSA-N 252.234 0.247 10 10 CCCE Cn1cnc(S(=O)(=O)N2CCC[C@H]2CN=[N+]=[N-])c1 703195394 XWGITFJTQKIKFE-QMMMGPOBSA-N 270.318 0.884 10 10 CCCE CCN(Cc1nn[nH]n1)C(=O)Cc1ccc(N)cc1 707117168 NBVPIBHJPAMHPT-UHFFFAOYSA-N 260.301 0.373 10 10 CCCE C[C@H](c1nn[nH]n1)N(C)C(=O)Cc1ccc(N)cc1 707226510 ICHRWWCTCCZFBH-MRVPVSSYSA-N 260.301 0.544 10 10 CCCE CN(CCOCCO)S(=O)(=O)Cc1ccc(N)cc1 388586863 XTPIDFSFZIDEBL-UHFFFAOYSA-N 288.369 0.039 10 10 CCCE CNCc1ccc(N2C[C@H](O)C[C@H]2CO)c(F)c1 698175572 PXFOLWRHQHPMTO-WDEREUQCSA-N 254.305 0.477 10 10 CCCE CCN[C@@H](C)c1ccc(N2CC[C@](O)(C(N)=O)C2)cc1 380360479 ICQPQBWZXAOMTH-XHDPSFHLSA-N 277.368 0.784 10 10 CCCE CCn1cc([C@](C)(NCCCN=[N+]=[N-])C(=O)OC)nn1 714984408 AFYIKANVNKEVTA-NSHDSACASA-N 281.320 0.976 10 10 CCCE NCc1ccc(N2CCN(C(N)=O)CC2)c(Cl)c1 721766564 DLDJRWDUXBGGSB-UHFFFAOYSA-N 268.748 0.999 10 10 CCCE C[C@@H](N[C@H]1CCN(C(N)=O)C1)c1ccc(O)cc1O 393297014 NYHFLWJSELLYMM-BDAKNGLRSA-N 265.313 0.901 10 10 CCCE Nc1ccc(NC(=O)N2C[C@H]3C[C@H](O)[C@H](O)[C@H]2C3)cc1 2173370549 HFUWIQUFRAEQGR-WRSRJMLGSA-N 277.324 0.617 10 10 CCCE CN1C[C@H]2C[C@H]1CN2C(=O)[C@@H]1CNc2ccccc2N1 2187562154 IUSQVGDBJPDXKZ-WDMOLILDSA-N 272.352 0.808 10 10 CCCE CC(C)CN(C(=O)c1cc(O)c(O)c(O)c1)C1CNC1 2188919102 KGSFYSLIGNKIRS-UHFFFAOYSA-N 280.324 0.873 10 10 CCCE C[C@@H](N)c1ccc(N2C[C@@H]3C[C@H](C2)[C@@H](O)[C@H]3O)cc1O 2182552437 CRRGSJNALYQSFQ-BVDPADPGSA-N 278.352 0.590 10 10 CCCE CN[C@@H]1CCc2cc(N3CC(OC)(C(N)=O)C3)ccc21 2184711049 MUWNDTSJVXEUQS-CYBMUJFWSA-N 275.352 0.584 10 10 CCCE C[C@@H]1CN[C@H](C)C[C@@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 2049781484 VKFMGAGVGHIJSS-OOCWMUITSA-N 252.358 0.886 10 10 CCCE N[C@H]1C[C@H]2C[C@H]1C[C@@H]2C(=O)C(=O)C[C@H]1C[C@H](N)C1 2049785745 FFMRMYDLVJWJJG-ZSOJELSESA-N 250.342 0.625 10 10 CCCE O=C1CO[C@@H]2CCN(c3ccc(CO)cc3Cl)C[C@@H]2N1 2185522723 RDVGJJBCHIUOJN-WCQYABFASA-N 296.754 0.926 10 10 CCCE CN(Cc1nnn(C)n1)c1ccc(CO)c([N+](=O)[O-])c1 2197855578 SROIJEBSQOPDDI-UHFFFAOYSA-N 278.272 0.247 10 10 CCCE C[C@@H](N)c1cc(F)c(N2CC(=O)NC(=O)[C@H]2C)c(F)c1 2194689720 NWFRVIIHBAMINY-RNFRBKRXSA-N 283.278 0.836 10 10 CCCE COc1ccc(CN2C[C@@H](N)[C@H](OC)C2)c(O)c1 2058778017 ZGVASUDHNXVACP-DGCLKSJQSA-N 252.314 0.559 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC[C@@H]3CNC[C@@H]3C2)cc1 2191790163 DCKCLGUNNBOQAU-CHWSQXEVSA-N 295.408 0.640 10 10 CCCE COc1ccc(O)c(CNC[C@@H]2CNC(=O)O2)c1 2066428148 IDYPXSPOBKHCMH-SNVBAGLBSA-N 252.270 0.599 10 10 CCCE C[C@@H](C[C@@H](C)O)NC(=O)c1cc(O)c(O)c(O)c1 2068579689 YPRVECJUKUPGQT-NKWVEPMBSA-N 255.270 0.693 10 10 CCCE NC(=O)NCC1CN(C(=O)CCc2ccc(N)cc2)C1 2187297122 DLUPDNLUMCNAQN-UHFFFAOYSA-N 276.340 0.328 10 10 CCCE COc1ccc(CN[C@@H]2CO[C@H]3COC[C@H]23)c(O)c1 2101874896 CWDCEDJECOEFIM-BZPMIXESSA-N 265.309 0.904 10 10 CCCE O=C(O)CCn1nnnc1C1=S=Nc2ccccc21 2103700000 SADUODGWWADUOZ-UHFFFAOYSA-N 275.293 0.628 10 10 CCCE CN(C(=O)COc1ccc(N)cc1)C1(C)COC1 2086866820 KHTQTOMZRJWIOS-UHFFFAOYSA-N 250.298 0.895 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1C[C@H]2CC[C@@]1(CO)C2 2089730463 NCBYMSOHPUAEKL-SDBXPKJASA-N 264.281 0.480 10 10 CCCE O=C(N[C@@H]1C[C@H](CO)[C@@H]2C[C@H]12)c1ccc(O)c(O)c1 2110614375 YWIJIQBMOIZORU-VPOLOUISSA-N 263.293 0.845 10 10 CCCE Nc1cc(O)ccc1NS(=O)(=O)N1C[C@H]2CC[C@H]2C1 2092879901 HYNVAMOAMGIZIV-DTORHVGOSA-N 283.353 0.973 10 10 CCCE N[C@@H]1C(F)(F)C12CC(NC(=O)c1ccc(O)c(O)c1)C2 2207146415 XYCWXGZONTZQJB-ABKVURRNSA-N 284.262 0.953 10 10 CCCE COc1ccc(N(C)[C@H](C)CC(N)=O)c(CO)c1 2220426613 FZGLMDSKCWAWJP-SECBINFHSA-N 252.314 0.888 10 10 CCCE CNCc1ccc(N2C[C@H]3CCO[C@]3(CO)C2)cc1 2231265576 KBTRRSGQHAEODW-HIFRSBDPSA-N 262.353 0.994 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CC[C@H]4[C@H](C[C@H]4O)C3)ccc21 2232880851 PNIPLBHYTOYRTA-BQAVTBIBSA-N 273.336 0.846 10 10 CCCE COc1ccc(N2C[C@H](OC)[C@H](OC)[C@@H]2CO)c(N)c1 2233349723 AOYBCZCCLLRQMZ-MELADBBJSA-N 282.340 0.488 10 10 CCCE CCn1cc(S(=O)(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])nn1 2225798607 HIQPBKPQBIUATQ-SFYZADRCSA-N 285.333 0.808 10 10 CCCE OCc1ccc(N2CC[C@](O)(CO)[C@H](O)C2)c(Cl)c1 2225727875 PUZZEGLRNPFPBW-OLZOCXBDSA-N 287.743 0.127 10 10 CCCE [N-]=[N+]=N[C@H]1CCC[C@H]1NC(=O)Cn1cccnc1=O 2225801124 UDEUCZJDXHEFAT-BDAKNGLRSA-N 262.273 0.591 10 10 CCCE COCCOCCOCC(=O)N1CCC(N=[N+]=[N-])CC1 2236039296 CUHSMVAFYUQIDB-UHFFFAOYSA-N 286.332 0.967 10 10 CCCE CN(C)C[C@@H](O)CN(C)c1ccc2c(c1)OCCO2 2226778671 DDRBIJFEGSYBFU-GFCCVEGCSA-N 266.341 0.817 10 10 CCCE N[C@H]1[C@H]2C[C@@H](CN(Cc3cc(F)ccc3O)C2)[C@@H]1CO 2239330566 QWDGRNIDQNTUIU-PBLBJHRBSA-N 280.343 0.919 10 10 CCCE COc1ccc(N2C[C@@H](O)C[C@H](O)C2)c(OC)c1C 2277993413 KGPISRNMBYSKRO-QWRGUYRKSA-N 267.325 0.944 10 10 CCCE C[C@H](N)c1ccc(N2CC[C@@H](O)[C@H](O)CC2)cc1O 2269136969 DNEKFGLOVBUKPB-ZWKOPEQDSA-N 266.341 0.734 10 10 CCCE Cc1cc(N2C[C@H]3C[C@H]2[C@H](O)[C@H]3O)ccc1[C@H](C)N 2269651330 JNOIHLOJLIWOKU-BBYPGIKZSA-N 262.353 0.945 10 10 CCCE NC1C[C@H]2COC[C@@H](C1)N2C(=O)c1cccc(O)c1O 2285743671 IONWLHINKMHICZ-PBINXNQUSA-N 278.308 0.429 10 10 CCCE COc1cccc(CN2C[C@H](C)OC3(CNC3)C2)c1O 2288588578 AVPLXMQBQAUATR-NSHDSACASA-N 278.352 0.964 10 10 CCCE NCc1ccc(N2C[C@H]3C[C@H](O)[C@H](O)[C@@H]2C3)cc1F 2330371838 ZEFYIFQTHDZGKO-DGJRKYIQSA-N 266.316 0.605 10 10 CCCE COc1ccc(N2CC[C@@H]3C[C@H]2[C@@H](O)[C@H]3O)c(N)c1 2332591496 ZMPDMJVSAAHDTD-DGJRKYIQSA-N 264.325 0.598 10 10 CCCE Nc1ccc(S(=O)(=O)Nc2cccnn2)cc1 969549 KLXBSPXXUGSWGB-UHFFFAOYSA-N 250.283 0.860 10 10 CCCE NC[C@@H]1C[C@@H]2CC[C@H]1N2S(=O)(=O)Cc1ccc(N)cc1 2357174184 QTGHLFJXYNGGOQ-FPMFFAJLSA-N 295.408 0.910 10 10 CCCE O=C(NCC[C@H]1CCNC1)c1cccc(O)c1O 126673862 OLZBEESVJZIJMT-SECBINFHSA-N 250.298 0.827 10 10 CCCE CC(C)NC(=O)CN(C)c1cc2c(cc1N)OCC(=O)N2 42602906 DCGGOWKZZOCJST-UHFFFAOYSA-N 292.339 0.561 10 10 CCCE C[C@@H](CCO)NS(=O)(=O)Cc1ccc(N)cc1 132291647 HNWCZPRUJKBVDC-VIFPVBQESA-N 258.343 0.459 10 10 CCCE CC(=O)NC1CCN(c2ccc3c(c2)NC(=O)[C@H]3N)CC1 228280819 HSGBOTCYBJCZLW-AWEZNQCLSA-N 288.351 0.743 10 10 CCCE CCN1CCN(C(=O)CN2C(=O)CSC2=S)CC1 82304331 MJGPJUDRTNSUQE-UHFFFAOYSA-N 287.410 0.011 10 10 CCCE O=S(=O)(N[S@]1=CCOCC1)C(F)(F)F 98043663 FCTMIZODNGACNI-CYBMUJFWSA-N 251.251 0.442 10 10 CCCE COCCOc1cc(C(=O)OCC(=O)C(C)=O)ccn1 808534469 NQFQGKCYNRAWKK-UHFFFAOYSA-N 281.264 0.422 10 10 CCCE CCc1[nH]c(C(=O)OCC(=O)C(C)=O)c(C)c1C(=O)OC 808496209 FSSQCLKLAWKCFC-UHFFFAOYSA-N 295.291 0.987 10 10 CCCE NC(=O)[C@@H]1CCN(c2cc3c(cc2Cl)[C@H](N)C(=O)N3)C1 723175695 JCEKCLSXXOLFTB-KBUNVGBDSA-N 294.742 0.604 10 10 CCCE Cn1c(NCCc2ccc(O)c(O)c2)cc(=O)n(C)c1=O 853409068 IYTLZKMZWCLTFB-UHFFFAOYSA-N 291.307 0.150 10 10 CCCE O=C1CCOc2c(F)cc(N3CCNCC3)cc2N1 62540208 HRUAJXWXWHGQDF-UHFFFAOYSA-N 265.288 0.956 10 10 CCCE CC[S@@](=O)CCNC(=O)c1ccc(C)c(O)c1O 780937719 GBGRJEOEANXSCT-GOSISDBHSA-N 271.338 0.905 10 10 CCCE C[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1nc[nH]n1 1566501747 PLQHWIHIYIIXQN-ZETCQYMHSA-N 262.269 0.636 10 10 CCCE C[C@H](O)[C@@H](N)c1nnc(-c2cc(O)c(O)c(O)c2)o1 83494115 DNKVHPQUSCUAKY-RNHFCUEFSA-N 267.241 0.234 10 10 CCCE CN(C)[C@@H]1CCN(C[C@H](O)COc2ccc(N)cc2)C1 62963837 UNTSTQQFGGIEFX-KGLIPLIRSA-N 279.384 0.644 10 10 CCCE Nc1ccc(CC(=O)OCCN2CCOC2=O)cc1 714502598 UMNASWJGYKLZAB-UHFFFAOYSA-N 264.281 0.807 10 10 CCCE NC[C@H](CC(F)F)NC(=O)c1cccc(O)c1O 717824963 MHYXQXNLBLAGFV-LURJTMIESA-N 260.240 0.810 10 10 CCCE CNCc1ccc(N2CCN3C(=O)NC[C@@H]3C2)c(F)c1 91754482 QREBIYNPVJWMPU-LLVKDONJSA-N 278.331 0.759 10 10 CCCE C[C@H](NC(=O)[C@@H]1COCCN1)c1ccccc1O 877256349 STMQABGDFNVFBL-ONGXEEELSA-N 250.298 0.558 10 10 CCCE CC(C)NCc1ccc(N2CC(=O)NC(=O)C2)cc1 97269718 FHRIYXZBTBFLFW-UHFFFAOYSA-N 261.325 0.647 10 10 CCCE CN(C)S(=O)(=O)c1ncn(Cc2ccc(N)cc2)n1 2122589598 VUYCFRCDISIMBJ-UHFFFAOYSA-N 281.341 0.159 10 10 CCCE CCN1CCOC[C@@H]1C(=O)NCc1cc(O)ccc1O 1176748663 YUVBFWRBAYPYMS-GFCCVEGCSA-N 280.324 0.435 10 10 CCCE O=C(NC[C@H]1C[C@H]2CC[C@H]1N2)c1cc(O)nc(O)c1 2117679042 ZZFLMJONNLIQIC-OPRDCNLKSA-N 263.297 0.363 10 10 CCCE CN(Cc1ccccc1O)C(=O)C[C@@H]1CNC[C@H]1O 2117722629 VHUYHAKSWCONTE-DGCLKSJQSA-N 264.325 0.321 10 10 CCCE Nc1ccc(NC(=O)N2CC3(CNC(=O)C3)C2)cc1 2119570482 HXMKHYSYGNFYLU-UHFFFAOYSA-N 260.297 0.623 10 10 CCCE COc1ccc(CN[C@H]2CS(=O)(=O)C[C@H]2O)cc1C 2121362523 BHCREHJONALAEF-NWDGAFQWSA-N 285.365 0.251 10 10 CCCE CN1CCN(CC2=C[C@@H](O)[C@@H](N)C2)c2cnccc21 2131468700 HUXRJJOHQJLFCC-SMDDNHRTSA-N 260.341 0.356 10 10 CCCE CC(C)[C@H](N)[C@H](C)NC(=O)c1cc(O)c(O)c(O)c1 2132403231 IMGJBNXJTUGZNO-CPCISQLKSA-N 268.313 0.905 10 10 CCCE CN(C)c1ccc(C=CC(=O)NC[C@H](O)C(=O)O)cc1 1911900998 JRXFGNQAUMMHIM-LBPRGKRZSA-N 278.308 0.328 10 10 CCCE [N-]=[N+]=NCCN[C@@]1(C(N)=O)CCOC[C@@H]1C(F)(F)F 1912185067 LNGDFPAHYKBDTQ-XPUUQOCRSA-N 281.238 0.709 10 10 CCCE CC1(C)NC(=O)N(CCN2CC[C@@H](CN=[N+]=[N-])C2)C1=O 1912164312 VQHDYJHLQNQFBC-VIFPVBQESA-N 280.332 0.949 10 10 CCCE COc1cc(N)c(N2CCC[C@H](C(N)=O)C2)cc1OC 213417380 BAHZOIPVCWUZJT-VIFPVBQESA-N 279.340 0.988 10 10 CCCE C[C@@H](CNCCO)NC(=O)c1ccc(N=NC(N)=O)cc1 1275467826 PUUJNVYVMLLMLL-VIFPVBQESA-N 293.327 0.549 10 10 CCCE Cc1ccc(O)c(CN2CC(=O)NC[C@H]2C(=O)O)c1 2136363218 SGTVRULQLQGIRL-JTQLQIEISA-N 264.281 0.086 10 10 CCCE C[C@@H](N[C@@H]1CC(=O)N(C)C1=O)c1cc(O)ccc1O 115261344 MPOZCRHLLUWNDK-GMSGAONNSA-N 264.281 0.506 10 10 CCCE CNC(=O)[C@H]1CCCN(C(=O)c2ccc(O)c(O)c2)C1 226996997 PDBPKDYSDGOYIV-JTQLQIEISA-N 278.308 0.696 10 10 CCCE Cc1cc(N2CCCN(CCO)CC2)ccc1CN 227229140 CDYLMTZSYQNHAL-UHFFFAOYSA-N 263.385 0.958 10 10 CCCE CO[C@H]1COCC[C@@H]1CNC(=O)Cc1ccc(O)c(O)c1 1569536437 YRBYMNHHAPGWER-RISCZKNCSA-N 295.335 0.808 10 10 CCCE CCONC(=O)CNC(=O)c1ccc(N=NC(N)=O)cc1 1644422936 FTYBVEZJBYXMKU-UHFFFAOYSA-N 293.283 0.647 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NCC(=O)NC1CCCC1 1587754533 MDXKZSVXJZYPTC-UHFFFAOYSA-N 292.335 0.815 10 10 CCCE COc1ccc(N2CC[C@](N)(CO)C2)c(OC)c1 259320069 MTAHDIIATBKEHN-CYBMUJFWSA-N 252.314 0.604 10 10 CCCE CC(=O)c1ccc(O)c(CN2C[C@H](O)[C@H](O)C2)c1 232459248 FHUKNWMQPBRCGN-BETUJISGSA-N 251.282 0.132 10 10 CCCE COC(=O)[C@@H](N)CC(=O)NCc1cccc(C)c1O 2139761493 HUUJJVPROTWUII-JTQLQIEISA-N 266.297 0.207 10 10 CCCE COCCN(C)c1cnn(Cc2ccc(N)cc2)c(=O)c1 164699957 VQOGPPXZXRTVCG-UHFFFAOYSA-N 288.351 0.956 10 10 CCCE CNCc1ccc(N2CCOC[C@H]2CO)cc1C 168326120 UHZPQTWYXAQLKE-CQSZACIVSA-N 250.342 0.912 10 10 CCCE CCNC(=O)[C@H]1COCCN1c1c(F)cc(CN)cc1F 159305090 KFKRWQWFPQTXML-GFCCVEGCSA-N 299.321 0.765 10 10 CCCE O=C1CCc2cc(N3CCNCC3)ccc2N1CCCO 259426538 KAVWKECIYQJIFZ-UHFFFAOYSA-N 289.379 0.758 10 10 CCCE CN[C@@H](C)c1ccc(N2C[C@H](O)[C@H](O)C2)c(F)c1 234458493 HFKOLJKGGCXZQA-AQUOVQTQSA-N 254.305 0.648 10 10 CCCE Cc1nc(=NC(=O)COc2ccc(N)cc2)n(C)[nH]1 2140800151 PYIMCMRTWDDZNA-UHFFFAOYSA-N 261.285 0.145 10 10 CCCE COC(=O)C1(CS(=O)(=O)NCc2ccccc2O)CC1 866830279 QVSKKQPOSUTMIZ-UHFFFAOYSA-N 299.348 0.765 10 10 CCCE CC1(C)C[C@H](N)C[C@@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)O1 1880083642 ULLWHHHEILDEIY-BFLSOPEQSA-N 268.357 0.537 10 10 CCCE C[C@@H](O)c1cc(F)c(N2CC(=O)NC(=O)C2)c(F)c1 1880488173 UTPAQCKZPIODBD-ZCFIWIBFSA-N 270.235 0.481 10 10 CCCE CCNC(=O)[C@@H]1COCCN1c1ccc(CN)cc1 130119818 FDTLISHCPYJJRF-ZDUSSCGKSA-N 263.341 0.487 10 10 CCCE CN(C[C@@H]1C[C@@H](CO)CO1)c1ccc(CN)cc1 1967636048 SHTLFDABDXINFT-JSGCOSHPSA-N 250.342 0.979 10 10 CCCE COc1cc2c(cc1OC)N(Cc1nnnn1C)CC2 1970282686 WXMRMKMCRLAJCG-UHFFFAOYSA-N 275.312 0.790 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N3CCC[C@H](O)C3)ccc21 48964307 RZNHSTXPRPBHRS-GXFFZTMASA-N 261.325 0.860 10 10 CCCE CN(Cc1cnnn1C)c1cc2c(cc1N)OCCO2 2156464991 AEOOHBAMQZRSHI-UHFFFAOYSA-N 275.312 0.805 10 10 CCCE C[C@H]1CCN[C@H]1CNC(=O)c1cccc(O)c1O 2033148247 WRFSQIPKJRVNRR-WPRPVWTQSA-N 250.298 0.826 10 10 CCCE Nc1ccc(OC[C@H](O)CN2CCCOCC2)cc1 61913955 VLQVFQUHLLGKPA-CYBMUJFWSA-N 266.341 0.731 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CCC[C@H](N)CNS(=O)(=O)Cc1ccc(N)cc1 2218567601 NFZDDMLXKQOHBW-LBPRGKRZSA-N 271.386 0.816 10 10 CCCE [N-]=[N+]=NCCNC(=O)[C@H]1[C@H](C(=O)O)[C@H]2CC[C@H]1O2 2218737660 JNMUCIPQVGSUPT-WCTZXXKLSA-N 254.246 0.291 10 10 CCCE Nc1cc(NS(=O)(=O)NCC(F)(F)F)ccc1O 2220566648 YNPRACCNYCVHFG-UHFFFAOYSA-N 285.247 0.783 10 10 CCCE CNCc1ccc(N2CC[C@@](O)(CO)[C@H](O)C2)c(C)c1 2234098556 UNQHMHPIJRXBIB-HUUCEWRRSA-N 280.368 0.009 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)[C@H]1CC[C@H](C(=O)O)O1 2225792038 JOQIIENRQSCBLB-DJLDLDEBSA-N 268.273 0.920 10 10 CCCE COc1cc(N(C[C@H](C)O)C[C@H](C)O)ccc1CN 2226058096 UAZPMXZGKCUFRK-QWRGUYRKSA-N 268.357 0.722 10 10 CCCE CC(C)Oc1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)cc1 2226772380 UPKYFWCNTQOADJ-IHRRRGAJSA-N 267.325 0.377 10 10 CCCE COc1ccc(N2C[C@H](O)[C@H]3COC[C@H]32)c(CO)c1 2227710021 APNZOCPJORAUHF-YUTCNCBUSA-N 265.309 0.383 10 10 CCCE COc1cc(N2C[C@H]3CCO[C@@]3(CO)C2)ccc1CN 2239914192 DHCFUZMSDFYSDW-IUODEOHRSA-N 278.352 0.742 10 10 CCCE CN=c1[nH]c(=NCc2cnc(SC)s2)[nH]cc1N 2257100965 MAMOZJLVHPGBLX-UHFFFAOYSA-N 282.398 0.735 10 10 CCCE CC1(O)[C@H]2C[C@H]1CN(C(=O)c1cccc(O)c1O)C2 2270690477 QQDHVXZIOJKKQK-IUCAKERBSA-N 263.293 0.941 10 10 CCCE CC(C)CN(C[C@@H](C)O)C(=O)c1cc(O)nc(O)c1 2272340081 OGHHHRVNKYRMQZ-SECBINFHSA-N 268.313 0.972 10 10 CCCE Nc1ccc(OCCN2CCC[C@H]3CNC(=O)[C@@H]32)cc1 2279278411 XHLMLYDLYKKKMK-SMDDNHRTSA-N 275.352 0.858 10 10 CCCE COC1CN(CCNCc2ccc(O)c(O)c2)C1 2317708424 UICRAFWSOORLNS-UHFFFAOYSA-N 252.314 0.518 10 10 CCCE C[C@H](O)c1ccc(N2C[C@@H]3C[C@H]2[C@H](O)[C@H](O)C3)cc1O 2355340568 PVWHEEIGGWFBFI-YBYFASJGSA-N 279.336 0.766 10 10 CCCE N[C@H]1CC[C@@H]2C[C@]12C(=O)NCCc1ccc(O)c(O)c1 2355672697 ARXCASDLBPOVNF-RIEGTJTDSA-N 276.336 0.884 10 10 CCCE COC(=O)[C@H]1CNC[C@H]1c1cc(O)c(O)c(O)c1 1951593673 VYBCNRQKDHIIRQ-YUMQZZPRSA-N 253.254 0.279 10 10 CCCE [N-]=[N+]=NCCNS(=O)(=O)c1ccc([N+](=O)[O-])nc1 70302717 IULWVVSBAFSHIB-UHFFFAOYSA-N 272.246 0.578 10 10 CCCE CC[C@@H](NCCOCC(N)=O)c1ccccc1O 230059649 AKKLLCZYUZDQSY-LLVKDONJSA-N 252.314 0.935 10 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279.340 0.291 10 10 CCCE O=C(CN1CCS(=O)CC1)c1ccc(O)c(O)c1 49692090 YQWCQKNYIHETBV-UHFFFAOYSA-N 269.322 0.345 10 10 CCCE COCCNC(=O)CN(C)Cc1cc(C)ccc1O 133122756 MIMUMHRITXVMOO-UHFFFAOYSA-N 266.341 0.895 10 10 CCCE CN1CC[C@@](O)(CC(=O)O)c2cc3c(cc21)OCCO3 84805611 IOHSIYFNNDDJSO-CQSZACIVSA-N 279.292 0.960 10 10 CCCE CC(=O)N[C@H]1CCN(C(=O)COc2ccc(N)cc2)C1 133343724 GRXNZTDNRRDWMU-LBPRGKRZSA-N 277.324 0.385 10 10 CCCE O=C1Cc2c(C(=O)NCc3ccc(O)c(O)c3)ccnc2N1 1137443354 MMCCJBCOVBSQRG-UHFFFAOYSA-N 299.286 0.917 10 10 CCCE CC(C)(O)c1nnc([C@H](N)c2ccc(O)c(O)c2)o1 83480923 UULOHJYRVFAXIJ-SECBINFHSA-N 265.269 0.756 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@H]2CCC[C@H](O)C2)cc1 694570258 TWTRAXLHSWBCKK-OLZOCXBDSA-N 284.381 0.992 10 10 CCCE Cn1nnnc1CN(c1ccc(CN)cc1)C1CC1 697899822 GUYQBKOSPHSXSE-UHFFFAOYSA-N 258.329 0.838 10 10 CCCE COCCN1C[C@H](N2CCC[C@@H]2CN=[N+]=[N-])[C@H](O)C1 2123018146 FAZLKUFUVAZIPF-GRYCIOLGSA-N 269.349 0.453 10 10 CCCE CN(C)CCCOC[C@H](O)COc1ccc(N)cc1 2119194666 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282.296 0.846 10 10 CCCE COCCNCc1ccc(N2CCNC(=O)[C@H]2C)cc1 110662345 PMSKHZGMJYPIJO-GFCCVEGCSA-N 277.368 0.747 10 10 CCCE CN(CC(=O)Nc1ccc(N)cc1)[C@H]1CCNC1=O 1916837100 GXCYQBYYLMFTQM-NSHDSACASA-N 262.313 0.028 10 10 CCCE CN1CCCN(c2ccc3c(c2)OCO3)[C@H](CO)C1 217096835 MCHCQGKVRFSFLL-LBPRGKRZSA-N 264.325 0.918 10 10 CCCE Nc1ccc(OCC(=O)NCc2nnc(O)o2)cc1 2136521229 JIRXUSWRLCOMRV-UHFFFAOYSA-N 264.241 0.053 10 10 CCCE CCNS(=O)(=O)CCN[C@@H](C)c1ccc(O)cc1O 230985384 KOLSPEVUARSDJO-VIFPVBQESA-N 288.369 0.688 10 10 CCCE CNC(=O)C(C)(C)CNS(=O)(=O)Cc1ccc(N)cc1 230383160 ZQHNMALOTLUIGO-UHFFFAOYSA-N 299.396 0.460 10 10 CCCE Nc1ccc2c(c1)CC(=O)N2C(=O)C[C@@H]1CCCN1 258732405 ODFNYWORYBUTQX-NSHDSACASA-N 259.309 0.827 10 10 CCCE COCC(=O)N[C@H]1CCCN(Cc2ccc(N)cc2)C1 586064765 PKEBOFXIBNECJO-AWEZNQCLSA-N 277.368 0.996 10 10 CCCE Nc1cc2c(cc1N1CC[C@H]3CNC[C@H]31)OCCO2 1876550903 LNEBNFWUCAVTBM-JOYOIKCWSA-N 261.325 0.838 10 10 CCCE CN[C@H](C)c1ccc(N2CCC2(CO)CO)cc1O 1879987782 XFEGNBGVHBTYGD-SNVBAGLBSA-N 266.341 0.606 10 10 CCCE Nc1ccc(CS(=O)(=O)NC2CCC(O)CC2)cc1 20559973 WUOWPBSVFRZLIL-UHFFFAOYSA-N 284.381 0.992 10 10 CCCE C[C@@H](CN)[C@H](F)C(=O)NCCc1ccc(O)c(O)c1 1968739438 QGEOXBTVEADILW-UFBFGSQYSA-N 270.304 0.689 10 10 CCCE C[S@](=O)(=NC(=O)Cc1ccc(O)c(O)c1)[C@H]1CCNC1 1972973584 IVUANRLPUOJCNZ-WVDJIFEKSA-N 298.364 0.627 10 10 CCCE Oc1c(CN[C@@H]2C[C@H]3C[C@H]2[C@H](O)[C@@H]3O)ccc(F)c1F 1974161783 MEHMDFJMNNUBTG-CGAOCIDISA-N 285.290 0.890 10 10 CCCE O=C1CN(c2ccc([C@@H]3CCCN3)cc2)CC(=O)N1 258471155 TUIUKANJJLEKMI-LBPRGKRZSA-N 259.309 0.574 10 10 CCCE Nc1ccc(CCC(=O)NC2CCS(=O)(=O)CC2)cc1 36332568 ZAZPBDFXJAKDKF-UHFFFAOYSA-N 296.392 0.895 10 10 CCCE CC(C)NC(=O)CNC(=O)COc1ccc(N)cc1 40304323 CEYQBSXQQORWOH-UHFFFAOYSA-N 265.313 0.288 10 10 CCCE CN(C(=O)CN1C[C@H]2CO[C@@H](C2)C1)c1ccc(N)cc1 2152296914 ZKCTUKVCJRFWDA-FZMZJTMJSA-N 275.352 0.952 10 10 CCCE O=C(N[C@H]1CCC[C@@H]1O)c1cc(O)c(O)c(O)c1 170190499 OBQNDVFKLGWTNL-YUMQZZPRSA-N 253.254 0.447 10 10 CCCE Nc1ccc(OCCC(=O)N[C@@H]2C[C@@H]2CO)cc1 2039784367 LJLFSTNAHVJLLL-BXKDBHETSA-N 250.298 0.535 10 10 CCCE CC1(C)CN[C@@H]1CNC(=O)c1cccc(O)c1O 2031685581 CPTVQQQPRLVHAH-SNVBAGLBSA-N 250.298 0.826 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC(CCO)C2)cc1 2034863593 WIEPJDMKIZORCX-UHFFFAOYSA-N 270.354 0.413 10 10 CCCE C[C@H](c1cc(O)ccc1O)N1CCOC[C@H]1CN 2035629163 OJOQFMWSAUJUCZ-NXEZZACHSA-N 252.314 0.818 10 10 CCCE CN1CCOC[C@@H]1CNCc1ccc(O)c(O)c1 700145299 YZWGJZVHJKZWET-NSHDSACASA-N 252.314 0.518 10 10 CCCE O=C(c1cccc(O)c1O)N1CC[C@@H]2NCC[C@@H]2C1 311934273 VBSMYJKXZCASPZ-KOLCDFICSA-N 262.309 0.922 10 10 CCCE Nc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)cc1 313265030 ZOJCQYAOZUXZTJ-KKOKHZNYSA-N 274.276 0.862 10 10 CCCE CNCc1ccc(N2CC[C@@H]3C(=O)NC(=O)[C@@H]3C2)cc1 2158784100 CJLBHLUOIIOICF-QWHCGFSZSA-N 273.336 0.505 10 10 CCCE Cc1cc(CN)ccc1N1CC[C@H]2C(=O)NC(=O)[C@H]2C1 2158784354 GEMJIJQTWVZZRF-NEPJUHHUSA-N 273.336 0.553 10 10 CCCE CC(=O)N(C)CCOc1ccc(N2CCNCC2)cc1 2160650252 NJPQGXPZBFATIH-UHFFFAOYSA-N 277.368 0.953 10 10 CCCE C[C@@H]1CN(c2ccc3c(c2)NC(=O)[C@@H]3O)C[C@H]1CO 708642535 XUHXKTDOBBKGPS-VYUIOLGVSA-N 262.309 0.737 10 10 CCCE Oc1cc2c(cc1CN[C@H]1COCC[C@@H]1O)OCO2 710944807 KMGWXRLPNSKMTB-UWVGGRQHSA-N 267.281 0.360 10 10 CCCE O=C(N[C@@H]1C=CC[C@@H](C(=O)O)C1)c1cc(O)nc(O)c1 714145972 DTGWRJUSVITSQC-VXNVDRBHSA-N 278.264 0.642 10 10 CCCE C[C@H]1CN(c2cc3c(cc2N)OCC(=O)N3)C[C@@H]1O 387749765 AAUHTVXNNBPVOA-CPCISQLKSA-N 263.297 0.417 10 10 CCCE CN[C@@H](C)C[C@@H](C)NC(=O)c1cc(O)nc(O)c1 721635701 YSLXLABXKVDDAH-JGVFFNPUSA-N 253.302 0.609 10 10 CCCE O=C(CNCc1ccc(O)cc1O)NCC1CC1 393084311 OPCXYQKPFFKMME-UHFFFAOYSA-N 250.298 0.714 10 10 CCCE CCNCc1ccc(N2CC3(CNC(=O)N3)C2)cc1C 2177687707 OVNYBUZBFHDQOJ-UHFFFAOYSA-N 274.368 0.976 10 10 CCCE CN(Cc1cnsn1)C[C@H](O)COc1ccc(N)cc1 2167116376 KFRABUDHLPDLFF-LBPRGKRZSA-N 294.380 0.992 10 10 CCCE CN(C)c1ccc(CNC(=O)[C@@]2(CO)CCCN2)cc1 2168638287 XOHWERMNIPARKX-HNNXBMFYSA-N 277.368 0.483 10 10 CCCE COC(=O)[C@@]1(NCCN=[N+]=[N-])CO[C@]2(CCCOC2)C1 2178930136 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C[C@H](NC(=O)[C@@H]1OCC[C@H]1N)c1ccccc1O 2072483201 BKZASNOBCSRVAU-MKPLZMMCSA-N 250.298 0.686 10 10 CCCE COC(=O)[C@H](CN)NCc1ccc2c(c1)CCCO2 2104273701 MIKWSVDHQKNGFI-LBPRGKRZSA-N 264.325 0.602 10 10 CCCE Nc1ccc(NS(=O)(=O)N2CCC[C@H]2C(=O)O)cc1 2106171159 TWWMHUQPONGURD-JTQLQIEISA-N 285.325 0.475 10 10 CCCE CN1CCc2cc([C@H](O)[C@@H]3CNCCOC3)ccc21 2106793744 QCSLFEIONSAFCI-HIFRSBDPSA-N 262.353 0.948 10 10 CCCE C[C@@H]([C@@H](O)CCc1ccc(N)cc1)S(=O)(=O)N(C)C 2089496313 RCEZHSOOQRHOOD-GWCFXTLKSA-N 286.397 0.842 10 10 CCCE COc1ccc([C@H](C)NCCn2cnnn2)c(O)c1 2090428651 UEEGMYFTOOJEAF-VIFPVBQESA-N 263.301 0.738 10 10 CCCE COc1ccc(CN2C[C@H](OC)C[C@@H]2CN)c(O)c1 2090740095 WWDRTSMDRAETFX-DGCLKSJQSA-N 266.341 0.949 10 10 CCCE CS(=O)(=O)C1(COC(=O)Cc2ccc(N)cc2)CC1 2111530423 QPAZRVBMSVJPHS-UHFFFAOYSA-N 283.349 0.932 10 10 CCCE CN1CCN(C(=O)COc2ccc(N)cc2)[C@@H]2C[C@H]21 2112107088 KQFUNHJXCRSYIJ-CHWSQXEVSA-N 261.325 0.563 10 10 CCCE C[C@@H](Nc1c(N)cccc1C(N)=O)[C@@H](C)S(C)(=O)=O 2114190956 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10 CCCE COc1n[nH]cc1C(=O)NCCOc1ccc(N)cc1 2283808283 UDVLPWPCIPIFDR-UHFFFAOYSA-N 276.296 0.809 10 10 CCCE Cc1cc(N2CC3(C2)OC[C@@H](O)[C@@H]3O)ccc1[C@H](C)O 2285160812 ODOUCYJBNFGUQO-GDLCADMTSA-N 279.336 0.359 10 10 CCCE CC[C@H](N)c1ccc(N2C[C@H](O)[C@H](O)[C@H](CO)C2)cc1 2289396140 BONPPQHRQBFBMC-CYUUQNCZSA-N 280.368 0.247 10 10 CCCE CS(=O)(=O)[C@@H]1CC[C@@H](S(=O)(=O)CCN=[N+]=[N-])C1 2302982671 XLYYAQXRTGPWLX-HTQZYQBOSA-N 281.359 0.677 10 10 CCCE Cc1cc([C@H](C)N)ccc1N1C[C@@H]2C[C@H]1[C@@H](O)[C@H]2O 2333977538 UKVUEUUWPDCTCM-AOOQXXKVSA-N 262.353 0.945 10 10 CCCE C[C@H](COC(=O)COc1ccc(N)cc1)C(N)=O 41093758 PBHLUEOOEOTEMU-MRVPVSSYSA-N 252.270 0.312 10 10 CCCE COc1ccc(N2C[C@@H](N)C[C@@H](C(N)=O)C2)cc1OC 2162658569 HKEKOBPZHTUYHB-ZJUUUORDSA-N 279.340 0.343 10 10 CCCE CCOc1cccnc1C(=O)OCC(=O)C(C)=O 808523397 MKWDDXHUFYXLFR-UHFFFAOYSA-N 251.238 0.795 10 10 CCCE CN(C)c1ccc(/C=C/C(=O)N[C@@H]2CNOC2)cc1 722479720 FNGJXVUGJMQKNB-FZKGZDJFSA-N 261.325 0.785 10 10 CCCE CN(C)Cc1cc([C@H]2NCCN(C)C2=O)ccc1O 1952357742 XGFGSKWHDNIVIP-CYBMUJFWSA-N 263.341 0.557 10 10 CCCE O=C1N[C@H](C(=O)NCc2c(O)cccc2F)CCO1 928705078 DFGRTVXOKOGGGG-VIFPVBQESA-N 268.244 0.646 10 10 CCCE COc1cc(N2CCOCC2)ccc1[C@H](N)CO 72199162 JVBBEHIPMHQRFC-GFCCVEGCSA-N 252.314 0.524 10 10 CCCE O=C(O)C[C@H](CNC(=O)c1cc(O)nc(O)c1)C1CC1 690447179 XFGCSYJGLRHKBN-SECBINFHSA-N 280.280 0.724 10 10 CCCE Nc1ccc(NC(=O)CN2CCSCC2=O)cc1 690901436 DMUBUMXKADPIDT-UHFFFAOYSA-N 265.338 0.783 10 10 CCCE Nc1ccc(NC(=O)CN2CC3CC2(CO)C3)cc1 694580401 QRTJSFXZNDXCPT-UHFFFAOYSA-N 261.325 0.664 10 10 CCCE O=C1NC[C@H]2CC[C@H]1N2c1c(F)cc(CO)cc1F 2115749583 QFYLSDCIVCCYQW-LDYMZIIASA-N 268.263 0.924 10 10 CCCE CCOCCN(C)C(=O)C(=O)N1Cc2cccc(O)c2C1 1329811950 SWZOTARIWUKXRN-UHFFFAOYSA-N 292.335 0.729 10 10 CCCE COCC[C@@](C)(O)CNC(=O)Cc1ccc(O)c(O)c1 1629977159 AJKJCRXCHPBJDA-CQSZACIVSA-N 283.324 0.544 10 10 CCCE O=C(CCc1nc[nH]n1)N1Cc2cccc(O)c2C1 1261887471 JFWFDSRTFCEHDL-UHFFFAOYSA-N 258.281 0.985 10 10 CCCE C[C@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)[C@@H]1CO 2132348839 UCMWJHBOMFGDJT-IONNQARKSA-N 267.281 0.646 10 10 CCCE [N-]=[N+]=NC[C@H]1CCN(S(=O)(=O)c2cnc[nH]2)C1 1912167865 QCYCNEATPQXZIN-SSDOTTSWSA-N 256.291 0.731 10 10 CCCE CN(CCN=[N+]=[N-])CC1CCN(S(C)(=O)=O)CC1 1912197786 YRVJFJNGGKXKFT-UHFFFAOYSA-N 275.378 0.900 10 10 CCCE O=C(CN1CCSC1=O)NCc1cc(O)ccc1O 1455347442 LKCUDADJRRCCCE-UHFFFAOYSA-N 282.321 0.883 10 10 CCCE O=C(NCc1cc(O)ccc1O)c1cnnc(O)c1 1471661676 XPGDFEHLYPCVSQ-UHFFFAOYSA-N 261.237 0.523 10 10 CCCE C[C@H]1CNC(=O)[C@@H](CO)N1c1ccc2c(c1)OCO2 217059242 IOWISTDIUVGAAE-WCBMZHEXSA-N 264.281 0.101 10 10 CCCE CC[C@@H](OC)C(=O)N(CC(N)=O)Cc1ccc(N)cc1 1924095210 ZLGUZGPTQWXBFG-GFCCVEGCSA-N 279.340 0.508 10 10 CCCE COCCn1cc(C(=O)NCc2ccc(O)cc2O)nn1 1626850813 XMYSWRLBNRFKAF-UHFFFAOYSA-N 292.295 0.266 10 10 CCCE CN(C(=O)c1cccc(O)c1O)[C@@H]1CCN2CCO[C@H]1C2 1637383351 XOGTVNCIFZXJSP-YPMHNXCESA-N 292.335 0.643 10 10 CCCE COc1ccc(CNC(=O)C[C@@H]2CCC(=O)NC2)c(O)c1 1639456138 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2141450531 FVSHJKSROKYXPQ-RYUDHWBXSA-N 266.341 0.764 10 10 CCCE Nc1ccc(CO[C@@H]2CC(CO)(CO)C[C@H]2O)cc1 2141459787 AXVQIZUUHINOJP-CHWSQXEVSA-N 267.325 0.280 10 10 CCCE CN1C[C@H](O)[C@H](NCc2c(O)cccc2Cl)C1 1942692951 KLQBKEMXHDNOPC-PWSUYJOCSA-N 256.733 0.810 10 10 CCCE C[S@@](=O)(CCN)=NC(=O)CCOc1ccc(N)cc1 1876444662 SJRJCGUWZCGDTG-LJQANCHMSA-N 285.369 0.621 10 10 CCCE NC[C@H]1CCC[C@@H]1NS(=O)(=O)Cc1ccc(N)cc1 1876411434 QBQQTETWNNZSCE-YPMHNXCESA-N 283.397 0.816 10 10 CCCE C[C@@H](O)[C@@H]1CCCN1C(=O)c1cc(O)c(O)c(O)c1 1879193229 SPRNBAGIBHMXCD-APPZFPTMSA-N 267.281 0.789 10 10 CCCE CN1CC[C@@H](CNC(=O)c2ccc(O)c(O)c2)C1=O 1880927103 JESMVOOOCIVPDS-VIFPVBQESA-N 264.281 0.306 10 10 CCCE CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CC[C@@H](N=[N+]=[N-])C1 1885563303 SEUHRDYLCMJWON-RKDXNWHRSA-N 299.331 0.783 10 10 CCCE O=S(=O)(NCCNCc1cccc(F)c1O)C1CC1 1964061047 TWKCUMMSPDNCEV-UHFFFAOYSA-N 288.344 0.703 10 10 CCCE C[C@@H]1C[C@@H](CO)CN1C(=O)Cc1ccc(O)c(O)c1 1964965782 PNVZRKIEYLFDLZ-MWLCHTKSSA-N 265.309 0.870 10 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CN(C1CC1)C1CN(c2ccc3c(c2)NC(=O)[C@@H]3O)C1 2172995731 SJHIXCCPQQFKRQ-CQSZACIVSA-N 273.336 0.955 10 10 CCCE COC[C@@H]1C[C@H]1NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 2174343956 HULHKSIYZQZPLB-GARJFASQSA-N 280.324 0.119 10 10 CCCE N[C@@H]1CCOC[C@@H]1C(=O)NCCc1ccc(O)c(O)c1 2176118319 QWZMUXKNCYXVJG-WDEREUQCSA-N 280.324 0.120 10 10 CCCE CN(C(=O)C1=C[C@H](O)[C@H](N)C1)c1ccccc1C(=O)O 2188017314 AALQVAVKRLOMNS-PWSUYJOCSA-N 276.292 0.366 10 10 CCCE O=[N+]([O-])c1cc(N2C[C@H](CO)C[C@@H]2CO)ccc1CO 2188577640 UNMHEXGUMLXFCY-BXKDBHETSA-N 282.296 0.267 10 10 CCCE CN(C)CCOc1ccc(N(C)C[C@H]2CC(=O)N2)cc1 2196039134 MJHQYUNGUPPJNZ-GFCCVEGCSA-N 277.368 0.952 10 10 CCCE O=C(NC[C@@H]1[C@@H]2CCCO[C@H]21)c1cc(O)c(O)c(O)c1 2188916275 OFHVRNLNFGZAFH-IGJMFERPSA-N 279.292 0.958 10 10 CCCE CC1(C)CNC[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)C1 2188925756 WEUDTBWJEMZFOI-VIFPVBQESA-N 280.324 0.921 10 10 CCCE CN(C(=O)c1cc(O)c(O)c(O)c1)C1(C(=N)NO)CC1 2188919713 OYHOZTDTEVCBGB-UHFFFAOYSA-N 281.268 0.364 10 10 CCCE Nc1ccc(CC(=O)N[C@H]2C[C@H](n3ccnn3)C2)cc1 2184085106 DAXSNCMWNLMHMI-JOCQHMNTSA-N 271.324 0.923 10 10 CCCE NCC1(F)CC(NC(=O)c2ccc(O)c(O)c2)C1 2042828501 RDWCSXPXZFTAMP-UHFFFAOYSA-N 254.261 0.657 10 10 CCCE COCCOC[C@@H](NN)c1ccc(N(C)C)cc1 2044747437 DEQAEAGNSFJBEO-CYBMUJFWSA-N 253.346 0.920 10 10 CCCE C[C@@H](O)[C@@H](CO)NCc1ccc2c(c1)CCN2C 2053794228 DYPRHPACUKXRGD-ZWNOBZJWSA-N 250.342 0.510 10 10 CCCE C[C@@H]1C[C@]1(N)C(=O)NCCc1ccc(O)c(O)c1 2058270640 QVLCYYDXDLPDPH-AMIZOPFISA-N 250.298 0.494 10 10 CCCE [N-]=[N+]=NCCN[C@@]1(C(=O)O)CO[C@@]2(CCOC2)C1 2058578410 AVPBAJJYWOZVFJ-VHSXEESVSA-N 256.262 0.289 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCc1ncco1 2186360208 WEKXLKRWLFJPNA-VIFPVBQESA-N 277.280 0.272 10 10 CCCE Nc1cc2c(cc1N1CCCC[C@H](N)C1)NC(=O)CO2 2191572001 MKYTYKZQOUGEIS-VIFPVBQESA-N 276.340 0.917 10 10 CCCE Nc1cc2c(cc1N1CCOCC13CNC3)OCCO2 2191617927 XJWZXEAPCSIZNA-UHFFFAOYSA-N 277.324 0.219 10 10 CCCE CO[C@@H]1C[C@@H](NCc2cccc(O)c2O)C[C@@H]1O 2067193342 SIMBUPXVIXLAQB-ZMLRMANQSA-N 253.298 0.726 10 10 CCCE O=[N+]([O-])c1cc(N2C[C@H](O)[C@H](F)C2)ccc1CO 2068304608 VTPJSKMEYXCZHT-KOLCDFICSA-N 256.233 0.606 10 10 CCCE CN[C@@H]1CC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2068619923 DCIUIAIZPZQARG-HTQZYQBOSA-N 252.270 0.284 10 10 CCCE CCN1C[C@H]2C[C@H]1CN2C(=O)COc1ccc(N)cc1 2187561839 DGACSMHJBQJPLZ-QWHCGFSZSA-N 275.352 0.953 10 10 CCCE O=[N+]([O-])c1cc2c(cc1N1C[C@@H]3C[C@H]1CN3)OCCO2 2187512787 AAFXVINTVLNAQS-IUCAKERBSA-N 277.280 0.917 10 10 CCCE CC1(C)OC[C@@H](NC(=O)CCc2ccc(N)cc2)[C@@H]1O 2199484018 YGNAYDUOHGLJSK-OCCSQVGLSA-N 278.352 0.856 10 10 CCCE C[C@@H]1C[C@@H](CO)CN1c1ccc2c(c1)NC(=O)[C@@H]2N 2100330374 JNOCCOVQXAWIPL-JRKPZEMJSA-N 261.325 0.846 10 10 CCCE CC1(CO)CN(C[C@@H](O)COc2ccc(N)cc2)C1 2101059153 KDXROSMWXHFZFV-GFCCVEGCSA-N 266.341 0.323 10 10 CCCE CN(C)c1ccc(CNC(=O)c2n[nH]c(=N)s2)cc1 2104185056 IMAPTCZRTSDPRM-UHFFFAOYSA-N 277.353 0.947 10 10 CCCE CNC(=O)[C@H]1CNCCN1Cc1c(C)cccc1O 2104484323 RKUQRNITHHVQBI-GFCCVEGCSA-N 263.341 0.220 10 10 CCCE Oc1cccc(CN[C@@H]2C[C@H]3C[C@H]2[C@@H](O)[C@H]3O)c1O 2110105724 MLGTUBNYUNDOAY-FDACTJFASA-N 265.309 0.318 10 10 CCCE COc1cc(C(=O)N[C@@H](C)CC(=O)O)cc(OC)n1 2110633295 SZXZZWQOYROQJN-ZETCQYMHSA-N 268.269 0.692 10 10 CCCE C[C@H]1C[C@H]1N(CCO)S(=O)(=O)Cc1ccc(N)cc1 2110795280 SMTVBLBEDAKWFV-GXFFZTMASA-N 284.381 0.801 10 10 CCCE CN(C(=O)COc1ccc(N)cc1)c1nccnn1 2090657917 UZDKRWOPBIEEFM-UHFFFAOYSA-N 259.269 0.496 10 10 CCCE Cc1cccc(CNC(=O)[C@@H](N)c2ccnn2C)c1O 2204607631 YEWRUNBJAIAWRF-LBPRGKRZSA-N 274.324 0.750 10 10 CCCE NC(=O)CN1CCC(NCc2ccc(F)cc2O)CC1 2204739650 XWICGALNADSPQL-UHFFFAOYSA-N 281.331 0.571 10 10 CCCE Nc1ccc(OCC(=O)NC[C@@H]2C[C@H]3NCC[C@H]23)cc1 2205640708 LHILVOGJTQPHJV-ZLKJLUDKSA-N 275.352 0.762 10 10 CCCE NCc1ccc(N2C[C@@H]3C[C@H](O)[C@H](O)C[C@H]3C2)c(F)c1 2236980453 QOLLHYNPERHADN-LWWSYDQCSA-N 280.343 0.852 10 10 CCCE COc1ccc(N2C3COCC2COC3)c(CN)c1 2227677012 XMSNJAIBVBORAB-UHFFFAOYSA-N 264.325 0.758 10 10 CCCE C[C@@H](c1cc(O)ccc1O)N1CCNCCNCC1 2227922478 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283.349 0.630 10 10 CCCE NCc1ccc(N2CC(NC(N)=O)C2)cc1C1CC1 2339146079 DVHOWKUGLGKKPR-UHFFFAOYSA-N 260.341 0.880 10 10 CCCE C[C@H](O)CN(C)CC(=O)N(C)c1ccc(N)cc1 51816999 CZBLJUKJODNIPP-JTQLQIEISA-N 251.330 0.544 10 10 CCCE CN(C)c1ccc(CNC(=O)CNC(N)=O)cc1F 57557970 UHVFDRSSCNNFHY-UHFFFAOYSA-N 268.292 0.176 10 10 CCCE CCO[C@@H]1CN(Cc2ccc(O)c(O)c2)C[C@H]1CN 405502524 CJTGEYWEVJOQGX-BXUZGUMPSA-N 266.341 0.893 10 10 CCCE CC[C@@H](CO)NC(=O)Nc1cc(O)c(O)c(O)c1 217278833 FMTUCQKDJLYFNW-LURJTMIESA-N 256.258 0.696 10 10 CCCE CN(Cc1ccc(N)cc1)S(=O)(=O)NC1CC1 126023888 HHNIVTDRYQVRGA-UHFFFAOYSA-N 255.343 0.697 10 10 CCCE CC[C@H]1COCCN1C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 40461832 RPNSLFITNJFUJV-RYUDHWBXSA-N 294.351 0.605 10 10 CCCE NC(=S)NNC1=NC(=O)/C(=C/c2ccccc2)S1 222330330 ABORJSFAIHPBIZ-VURMDHGXSA-N 278.362 0.995 10 10 CCCE C[C@@H](N[C@H](C)c1ccc(O)cc1O)C(=O)N1CCOCC1 228096088 QIJZUYIHWPHOFP-GHMZBOCLSA-N 294.351 0.996 10 10 CCCE Cn1cc([C@H](NC(=O)Cc2ccc(N)cc2)C(=O)O)cn1 130953096 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CCCE CN(C)[C@H]1COC[C@H]1CNC(=O)c1ccc(O)c(O)c1 1924724609 MUTWGTOCNJKURS-MNOVXSKESA-N 280.324 0.404 10 10 CCCE NC(=O)CCCCC(=O)NCc1cc(O)ccc1O 1637125953 IYYGUHRGDSZVPW-UHFFFAOYSA-N 266.297 0.760 10 10 CCCE COc1ccc(CNC2(CNC(=O)C(N)=O)CC2)cc1C 1569415955 XOUWSWFWEJBOSL-UHFFFAOYSA-N 291.351 0.227 10 10 CCCE COC[C@@H](O)CN(C)C(=O)[C@H]1CNc2ccccc2N1 229879482 BVLCKLBIXSSQFW-GXFFZTMASA-N 279.340 0.358 10 10 CCCE CNC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 1565713105 ZSRPGBDHXXBXDN-LLVKDONJSA-N 292.335 0.625 10 10 CCCE CC(=O)N1CCN(C(=O)Cc2ccc(O)c(O)c2)[C@@H](C)C1 1631017537 KVVLFLACCDCEAE-JTQLQIEISA-N 292.335 0.720 10 10 CCCE Nc1ccc(CCC(=O)NCCc2ncno2)cc1 231768868 MPIIXVUDHMRQJW-UHFFFAOYSA-N 260.297 0.943 10 10 CCCE CCC(CO)(CO)NC(=O)CCOc1ccc(N)cc1 232976477 HDWYRNDKJKAGFO-UHFFFAOYSA-N 282.340 0.287 10 10 CCCE [N-]=[N+]=NCCN[C@@]1(C(N)=O)CCN2CCC[C@@H]2C1 156575914 GXVSEWAFOWBMRN-KOLCDFICSA-N 252.322 0.369 10 10 CCCE CN(CC1(N)CC1)c1ccc2c(c1)N(C)C(=O)CO2 259123041 QDDNMGANGQPODJ-UHFFFAOYSA-N 261.325 0.969 10 10 CCCE CNC(=O)[C@@H](C)CN(C)CC(=O)c1ccc(O)c(O)c1 234357207 VASDYXAMCVDQQR-VIFPVBQESA-N 280.324 0.594 10 10 CCCE CCN(CCO)C(=O)CNCc1cc(Cl)ccc1O 1857868433 JAESTIRTJLWHBG-UHFFFAOYSA-N 286.759 0.976 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CCc2n[nH]cc2C1 1290583721 HVGUDCMLBUDVBN-UHFFFAOYSA-N 273.292 0.948 10 10 CCCE O=c1[nH]c(-c2ccc(O)c(O)c2)nc2c1COCC2 236576505 SYDBKVNVPRSTFH-UHFFFAOYSA-N 260.249 0.921 10 10 CCCE CN(C)c1ccc(C=CC(=O)N[C@H](CN)CO)cc1 1876250592 WQSIRBIZNWJJNM-GFCCVEGCSA-N 263.341 0.202 10 10 CCCE C[C@H]1CCN[C@H]1CNC(=O)COc1ccc(N)cc1 1876452098 VLCDBBVFJKENAD-GWCFXTLKSA-N 263.341 0.762 10 10 CCCE Nc1cc2c(cc1N1CCC[C@H](O)C1)NC(=O)CO2 35612080 KQJCJHCDYDWTHI-QMMMGPOBSA-N 263.297 0.561 10 10 CCCE NC(=S)[C@@H]1CN(C(=O)c2ccc(O)c(O)c2)CCO1 236193938 GBMGOMOOAVMFQC-JTQLQIEISA-N 282.321 0.225 10 10 CCCE Nc1ccc(OCCOCCN2CCNCC2)cc1 1905128831 PQTQKDJFKKTHCB-UHFFFAOYSA-N 265.357 0.569 10 10 CCCE Cc1cccc(CNCCNS(=O)(=O)C(F)F)c1O 1964612348 VMHGSDDOUACIGK-UHFFFAOYSA-N 294.323 0.932 10 10 CCCE C[C@@H](N)c1ccc(N2CCOC[C@H]2[C@H](O)CO)c(F)c1 2146330340 XKUWUIFVHNVMFH-BIGNPOOSSA-N 284.331 0.404 10 10 CCCE C[C@@H]1CCN(c2ccc3c(c2)NC(=O)[C@H]3O)[C@H]1C(N)=O 2146453452 WBCZRUBXKIZLHH-HFKOZYHYSA-N 275.308 0.372 10 10 CCCE COC(=O)c1cnc(Sc2nnnn2C)s1 1985814847 WHZVKVYBWRYGAQ-UHFFFAOYSA-N 257.300 0.604 10 10 CCCE O=C(O)[C@@H]1[C@@H]2OCCN(C(=O)c3ccc(O)c(O)c3)[C@H]21 2149282063 WCTIZXSGUZEMGY-DCAQKATOSA-N 279.248 0.022 10 10 CCCE COC(=O)CCS(=O)(=O)CCOc1ccc(N)cc1 36336832 VKQIXOWCPFKLNS-UHFFFAOYSA-N 287.337 0.626 10 10 CCCE CCCn1cnnc1Cn1ccc2c(c1=O)CNCC2 2153671020 PTNGWYIETHVING-UHFFFAOYSA-N 273.340 0.544 10 10 CCCE Cc1ccc(O)c([C@@H](C)NCCNS(N)(=O)=O)c1 2039807246 WPUZXTRTRRJSCD-SECBINFHSA-N 273.358 0.144 10 10 CCCE C[C@@H]1C[C@H](O)CN(C(=O)COc2ccc(N)cc2)C1 401598932 YCXBKBPOPZJVJU-PWSUYJOCSA-N 264.325 0.877 10 10 CCCE COc1cc(Cl)cc(CN[C@H]2COC[C@@H]2O)c1O 323611041 BDXOHVRSYLSKBY-UWVGGRQHSA-N 273.716 0.904 10 10 CCCE C[C@@H]1CN(CCc2ccc(N)cc2)CCS1(=O)=O 707109256 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C[C@@H](CC(N)=O)n1cc(COc2ccc(N)cc2)nn1 2179342568 BRUAHLUSJQEXQS-VIFPVBQESA-N 275.312 0.876 10 10 CCCE O=C(CN1CCn2ncnc2C1)c1ccc(O)c(O)c1 2170556780 QLGLZFBMCVTAIN-UHFFFAOYSA-N 274.280 0.388 10 10 CCCE O=C1CN(c2ccc(CO)c([N+](=O)[O-])c2)[C@@H]2CC[C@@H]2N1 2188572292 PIGQHLPRLKXFDF-WDEREUQCSA-N 277.280 0.554 10 10 CCCE OC[C@]1(NCc2ccc(O)cc2O)C[C@H](O)C12CCC2 2193967498 DYPKIMPFVJPUHX-DZGCQCFKSA-N 279.336 0.853 10 10 CCCE O=C(N[C@H]1C[C@@H]([C@@H](F)C(=O)O)C1)c1cc(O)nc(O)c1 2198987202 ZHVIFQJFHMMSCL-NJUACVTBSA-N 284.243 0.424 10 10 CCCE CN1CCc2cc([C@H](N)[C@H](O)c3ncn(C)n3)ccc21 2190734335 OLCKSFSCKQDPGP-STQMWFEESA-N 273.340 0.541 10 10 CCCE C[C@H](O)CN(CCc1ccc(N)cc1)C[C@@H](C)O 2041728393 IQXOJCUDBGJNQA-TXEJJXNPSA-N 252.358 0.875 10 10 CCCE NCc1ccc(N2C[C@H]3C[C@H]2[C@@H](O)[C@H]3O)c(Cl)c1 2042553569 ATYCEFHTWTXGQQ-ZJNJWXDTSA-N 268.744 0.729 10 10 CCCE Nc1cccc(C(=O)O)c1N[C@@H]1COC[C@H]1CO 2046435329 DYSWYSUPPUOOPM-GMSGAONNSA-N 252.270 0.386 10 10 CCCE O=[N+]([O-])c1cc(CO)ccc1N1CC=C[C@@H](O)C1 2046465318 QPUYPNWWNMVYRW-SNVBAGLBSA-N 250.254 0.824 10 10 CCCE [N-]=[N+]=N[C@@H]1CCN(C(=O)C2[C@H]3CS(=O)(=O)C[C@H]23)C1 2054204548 VPXFMHOPXCQEHU-CSMHCCOUSA-N 270.314 0.188 10 10 CCCE NC[C@@H]1CN(C(=O)c2cccc(O)c2O)C[C@@H]1F 2057004211 AMDUTONPMXPDPC-APPZFPTMSA-N 254.261 0.467 10 10 CCCE NCc1cc(F)c(N2CC[C@](O)(CO)C2)cc1Cl 2057249528 OQCXDOKPTOBAFA-GFCCVEGCSA-N 274.723 0.871 10 10 CCCE CN[C@H](C)c1ccc(N2CC(CNC(N)=O)C2)cc1O 2187290519 BDOTZOCXDIXWOE-SECBINFHSA-N 278.356 0.777 10 10 CCCE C[C@@H](NC(=O)[C@@H]1CC(C(=O)O)=NO1)c1ccccc1O 2192601584 BMGRKPKVJWCMCF-HQJQHLMTSA-N 278.264 0.799 10 10 CCCE C[C@@H](CN)N(C)C(=O)CCOc1ccc(N)cc1 2071710243 ZJFFJYPERRDKDQ-JTQLQIEISA-N 251.330 0.843 10 10 CCCE CNC(=O)NCCCNC(=O)c1cccc(O)c1O 2102870294 KSPNHQYIGFSZTD-UHFFFAOYSA-N 267.285 0.147 10 10 CCCE NC(=O)[C@@H]1C[C@H](N)CN(c2ccc3c(c2)CCC3)C1 2106381660 FXKLOBSVVRYJKZ-OLZOCXBDSA-N 259.353 0.814 10 10 CCCE CN(C)[C@@H]1CN(C(=O)Nc2ccc(N)cc2)C[C@@H]1O 2089927882 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O=C(N[C@@H]1CCC[C@H](O)[C@@H]1O)c1cccc(O)c1O 2224351437 XJYDMNXKSLJPDB-UBHAPETDSA-N 267.281 0.102 10 10 CCCE CSc1ncc(CNC(=O)C2(O)CCNCC2)s1 2256943700 UVTPQTSVFZGXOW-UHFFFAOYSA-N 287.410 0.596 10 10 CCCE O=C(O)[C@@H]1C[C@@H]2[C@H]1CCN2C(=O)c1cc(O)nc(O)c1 2286390379 SXDLCPBFFQORIZ-DJLDLDEBSA-N 278.264 0.428 10 10 CCCE O=C(N[C@H]1CC[C@@H]2C[C@]12CO)c1cc(O)nc(O)c1 2331771657 KGLYFTNYWRNNAE-VYUIOLGVSA-N 264.281 0.384 10 10 CCCE COc1cc(N2C[C@@H]3C[C@H]2[C@@H](O)[C@H]3O)ccc1CN 2333188045 SKQVSNNZJRIJTJ-DTCNJJKHSA-N 264.325 0.084 10 10 CCCE CNS(=O)(=O)N1CCc2cc(N3CCOCC3)ccc21 62526677 RXHATFNZPCERLJ-UHFFFAOYSA-N 297.380 0.350 10 10 CCCE COCCN(C(=O)[C@@H](N)Cc1ccc(O)c(O)c1)C(C)C 122792823 MBUHIPMHDCJPNM-LBPRGKRZSA-N 296.367 0.851 10 10 CCCE COC(=O)CCN(C)C(=O)c1ccc(O)c(O)c1 234521895 VTJAVJXJBJTUED-UHFFFAOYSA-N 253.254 0.733 10 10 CCCE O=C1CN[C@H](c2cc(Br)ccc2O)CN1 1951863642 QPFLZABUSBXZKH-QMMMGPOBSA-N 271.114 0.915 10 10 CCCE COc1ccc(CNC[C@@H]2COCCO2)c(O)c1 40906821 CSLWITNLNNFNJI-GFCCVEGCSA-N 253.298 0.906 10 10 CCCE O=C(O)[C@@H](Cc1ccc(O)c(O)c1)N1CCOC1=O 40225868 NNBKPWRGNPOPIL-MRVPVSSYSA-N 267.237 0.546 10 10 CCCE C[C@@H](CCO)NC(=O)CCOc1ccc(N)cc1 132227298 QLUCFEOMKLCMQQ-JTQLQIEISA-N 252.314 0.925 10 10 CCCE CN(C[C@@H](O)COc1ccc(N)cc1)CC(C)(C)O 92958325 CSFBCDYGXMJFED-GFCCVEGCSA-N 268.357 0.711 10 10 CCCE CCN1CCN(CC(=O)NCCc2ccc(N)cc2)CC1 236871739 GYHPMEGIOUQZDG-UHFFFAOYSA-N 290.411 0.565 10 10 CCCE CC(=O)C(=O)COC(=O)[C@H]1CCCN1c1ncccn1 808500492 OBVXUARFVYPMKT-SNVBAGLBSA-N 277.280 0.147 10 10 CCCE CC(=O)C(=O)COC(=O)[C@H](C)NC(=O)CC(C)(C)C 808538971 MODCKCOQTRHOKU-QMMMGPOBSA-N 271.313 0.629 10 10 CCCE CN1CCC[C@H](C(=O)NCc2ccc(O)c(O)c2)C1=O 901133317 WCLXEFBBBZZFPY-SNVBAGLBSA-N 278.308 0.582 10 10 CCCE CC(=O)C(=O)COC(=O)c1cc(O)nc2c1CCCC2 909907276 HEPSKFMWONGFRP-UHFFFAOYSA-N 277.276 0.981 10 10 CCCE COC[C@@](C)(O)CCNC(=O)c1cccc(O)c1O 833449816 XZBCIVGDTUFYKE-ZDUSSCGKSA-N 269.297 0.615 10 10 CCCE O=C(NCc1ccc(O)cc1O)[C@@H](O)C1CCC1 910944114 KUXHAUWDIBDNPU-LBPRGKRZSA-N 251.282 0.875 10 10 CCCE O=C(NCc1c(O)cccc1F)[C@H]1CCCS1(=O)=O 928706023 NSRPOSVBMAQZMB-LLVKDONJSA-N 287.312 0.725 10 10 CCCE CO[C@@H]1CS(=O)(=O)C[C@H]1N(C)c1ccc(CO)cc1C 696819946 BTDMKWJWVBWVMK-ZIAGYGMSSA-N 299.392 0.736 10 10 CCCE CNCc1ccc(N2CC(N3CCN(C)CC3)C2)cc1 697778924 WIZBGLAJDDLAMG-UHFFFAOYSA-N 274.412 0.842 10 10 CCCE CCNC(=O)N1CC[C@H](NC(=O)c2cc(O)cs2)C1 761610076 YSZWLKUVYODBKH-QMMMGPOBSA-N 283.353 0.987 10 10 CCCE COc1c([N+](=O)[O-])ccc(CNCc2cnn[nH]2)c1O 862424673 YGJXXFUOASLDTH-UHFFFAOYSA-N 279.256 0.717 10 10 CCCE NCc1ccc(N2CCO[C@H](CO)C2)c(Cl)c1 167790015 PGOIGYNIOFRIBE-JTQLQIEISA-N 256.733 0.996 10 10 CCCE CN(c1ccc(N)cc1)S(=O)(=O)CCCC(=O)O 702070149 NBTMZHQHDPMZGT-UHFFFAOYSA-N 272.326 0.900 10 10 CCCE COc1ccc(CNC[C@H]2C[C@@H](C(=O)O)CO2)c(O)c1 714030824 QKHTUBMQVAVSDI-ZYHUDNBSSA-N 281.308 0.980 10 10 CCCE Nc1ccc(OCCNc2ccc3nnnn3n2)cc1 94726350 VAOYIQJIUKEASP-UHFFFAOYSA-N 271.284 0.592 10 10 CCCE C[C@@H]1OCCO[C@@H]1C(=O)NCCc1ccc(O)c(O)c1 934939068 MIFIZIWYDATYTR-ZANVPECISA-N 281.308 0.560 10 10 CCCE C[C@@H](CN)N(C)C(=O)C(=O)N1Cc2cccc(O)c2C1 1329504157 HIBPOXCLDGXLIC-VIFPVBQESA-N 277.324 0.040 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CC12CC(O)C2 1635899397 SUZJKCCQOQXNBL-VTGPFMDVSA-N 263.293 0.670 10 10 CCCE O=C(c1cccc(O)c1O)N1C[C@@H]2CC[C@]2(CO)C1 1901746126 GOXKNMDJGGSJLY-LKFCYVNXSA-N 263.293 0.942 10 10 CCCE O=C([C@H]1CCS(=O)(=O)C1)N1Cc2cccc(O)c2C1 1261887931 XBMSYXOWOFVKHP-JTQLQIEISA-N 281.333 0.669 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CC(OC(F)F)C1 2132350744 QAJMZZWJYCKFSG-UHFFFAOYSA-N 275.207 0.867 10 10 CCCE C[C@@H]1C[C@H]1N(CCO)C(=O)c1cc(O)c(O)c(O)c1 2132349134 ZFQACSBPTARBFS-VXNVDRBHSA-N 267.281 0.646 10 10 CCCE CN(CCC1CNC1)C(=O)c1cc(O)c(O)c(O)c1 2132408614 YDHMNAODYOAKAJ-UHFFFAOYSA-N 266.297 0.485 10 10 CCCE CC1(C)C[C@H](NC(=O)c2cc(O)c(O)c(O)c2)CN1 2132413295 LQAXZUBEIOKCPY-QMMMGPOBSA-N 266.297 0.674 10 10 CCCE CCS(=O)(=O)CC(=O)NCCOc1ccc(N)cc1 2132913717 BLKRHJIQIYNLFV-UHFFFAOYSA-N 286.353 0.199 10 10 CCCE NCc1ccc(N2[C@H]3CC[C@H]2[C@H](O)[C@@H](O)C3)cc1F 2133920215 PETFXRGRCZUUAG-PYJNHQTQSA-N 266.316 0.747 10 10 CCCE CC(=O)N1CCC(C(=O)N2CC(N=[N+]=[N-])C2)CC1 1912159926 OKGJCBUEQKVAGJ-UHFFFAOYSA-N 251.290 0.766 10 10 CCCE CN(C(=O)[C@H]1CNc2ccccc2N1)C(C)(C)C(N)=O 1915546060 ZUDXBJOCANPELB-LLVKDONJSA-N 276.340 0.615 10 10 CCCE Nc1ccc(N2C(=O)[C@H]3CC[C@@H](O3)C2=O)c(F)c1 222855257 CNUOMPPBUBRKOZ-NXEZZACHSA-N 250.229 0.829 10 10 CCCE CC(=O)N1C[C@@H](CO)[C@H](c2cccc(O)c2O)C1 1614634445 LBVDFXLUPSRYJH-GXSJLCMTSA-N 251.282 0.652 10 10 CCCE C[C@]1(O)CN(C(=O)c2ccc(O)c(O)c2)CC[C@@H]1O 2136879032 NASLSPHXKKHPAR-AAEUAGOBSA-N 267.281 0.056 10 10 CCCE O=C(Cn1c(O)nnc1O)NCc1cccc(Cl)c1O 1648608375 DZJJZKSWYMYSLN-UHFFFAOYSA-N 298.686 0.365 10 10 CCCE C[C@H]1CCN(C(=O)c2cccc(O)c2O)C[C@@H]1O 230257702 XTSDHCKPJDFYDY-KWQFWETISA-N 251.282 0.941 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1O2 161967684 VFKWVTQVSKKXIC-ZHPDPMBESA-N 292.335 0.404 10 10 CCCE COCCNCc1ccc(N2CCOC[C@@H]2CO)c(C)c1 168331513 HMHTXRSSEANCRJ-HNNXBMFYSA-N 294.395 0.929 10 10 CCCE C[C@H]1SC(=S)N(CC(=O)NC[C@H]2CCCO2)C1=O 11635497 LURIUDHHSXTYRK-HTQZYQBOSA-N 288.394 0.530 10 10 CCCE CC[C@H](N)c1ccc(N2C[C@H](O)[C@H](O)[C@H]2CF)cc1 2140668324 ZYRBXCRPIGLDDW-RFQIPJPRSA-N 268.332 0.976 10 10 CCCE NCc1ccc(N2C[C@H](O)[C@@H](O)C2)c2ccccc12 236233362 ZJKNOPGNFMPHST-GJZGRUSLSA-N 258.321 0.840 10 10 CCCE C[C@H]1C[C@@H](N)CN(C(=O)COc2ccc(N)cc2)C1 1876449323 OFXHCUJDNPQCRC-CMPLNLGQSA-N 263.341 0.843 10 10 CCCE NC[C@@H]1C[C@@H](O)CN1C(=O)CCc1ccc(N)cc1 1876494522 BQKFBRLVILEPOK-QWHCGFSZSA-N 263.341 0.122 10 10 CCCE COc1ccc(N2CCO[C@H]3CCNC[C@@H]32)c(N)c1 1876549482 QZDBJLPLUJGMMM-KBPBESRZSA-N 263.341 0.845 10 10 CCCE C[C@@H](N(CC(N)=O)Cc1ccc(N)cc1)C(C)(C)O 1888955139 ITFZWMLQAYSHIY-SNVBAGLBSA-N 265.357 0.716 10 10 CCCE Nc1ccc(OCC(=O)N2CC[C@@H]3[C@H](CO)[C@@H]3C2)cc1 2149548158 XILLVHWPJVVHLG-MJBXVCDLSA-N 276.336 0.734 10 10 CCCE COCCC[C@H](N)C(=O)NCCc1ccc(O)c(O)c1 2148006765 ZOBFTTXYXJMPOM-NSHDSACASA-N 282.340 0.510 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NC[C@H]1C[C@H]2CC[C@H]1N2 1972446788 VPNHOWZPABJYTJ-IJLUTSLNSA-N 276.336 0.897 10 10 CCCE O=C(CN1C[C@@H]2OCCO[C@H]2C1)c1ccc(O)c(O)c1 2149778575 RLFHDWKBLQAAJR-KBPBESRZSA-N 279.292 0.380 10 10 CCCE C[C@H](CN1CCOCC1)NCc1cccc(O)c1O 41116905 OLYLKBJPGABKDZ-LLVKDONJSA-N 266.341 0.908 10 10 CCCE COC(=O)COC(=O)c1ccn(-c2ccc(N)cc2)n1 41102167 JMMXJTRGLFJQGC-UHFFFAOYSA-N 275.264 0.784 10 10 CCCE Nc1ccc(O)c(CN2C[C@@]3(CO)CC[C@]3(CO)C2)c1 2145734713 FHZBFWIYMPUDPG-HUUCEWRRSA-N 278.352 0.541 10 10 CCCE CC1(O)CCN(C[C@@H](O)COc2ccc(N)cc2)CC1 160384292 FEIIDJKSGDDWBI-CYBMUJFWSA-N 280.368 0.855 10 10 CCCE CN(CC(=O)N(C)C)C[C@H](O)COc1ccc(N)cc1 37269805 MQCVQMMKVDNMQB-LBPRGKRZSA-N 281.356 0.029 10 10 CCCE CCS(=O)(=O)CCOc1ccc(N2CCNCC2)cc1 37370378 XPBNHCMLIFIFGX-UHFFFAOYSA-N 298.408 0.910 10 10 CCCE C[C@H](c1ccccc1O)N(C)C(=O)[C@H](N)CC(N)=O 37826580 XNPFSUVVTPGBFF-PSASIEDQSA-N 265.313 0.114 10 10 CCCE CC(=O)NCCNC(=O)CCOc1ccc(N)cc1 40304133 PIOPZYWSGDIETO-UHFFFAOYSA-N 265.313 0.290 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O[C@H]1CCCOC1 2152511157 XPDDQCZKZKEPBB-QWRGUYRKSA-N 281.308 0.690 10 10 CCCE O=C1CN(c2ccc(CO)cc2F)[C@H]2CC[C@H]2N1 2049366439 IZBHCWMWFQPUKZ-PWSUYJOCSA-N 250.273 0.785 10 10 CCCE Cc1nsc([C@H](NCCCN=[N+]=[N-])C(N)=O)n1 2020563384 QBRPJFURORJSGI-ZCFIWIBFSA-N 255.307 0.663 10 10 CCCE C[C@@H]1CNC[C@@H]1CS(=O)(=O)Nc1ccc(O)cc1 2027189192 XJKBBSPJFUDPTQ-NXEZZACHSA-N 270.354 0.989 10 10 CCCE CN(Cc1ccccc1O)S(=O)(=O)CCCCN 2029355326 DLGRQJSIMHFAQN-UHFFFAOYSA-N 272.370 0.893 10 10 CCCE Nc1ccc(CCC(=O)N2C[C@H](O)[C@@H](F)C2)cc1 2031872812 SMPFLZVOHBXQBI-RYUDHWBXSA-N 252.289 0.743 10 10 CCCE CN(CC(F)(F)CN)C(=O)c1ccc(O)c(O)c1 2033575458 MBZHMFPYGQSAQE-UHFFFAOYSA-N 260.240 0.764 10 10 CCCE CC1(CO)CCN(C(=O)c2cc(O)nc(O)c2)CC1 401656889 AJJCRFDLVYUXQT-UHFFFAOYSA-N 266.297 0.727 10 10 CCCE COc1ccc(N2CCN3C[C@H](O)C[C@H]3C2)c(N)c1 405318483 SNVQPZPDIJXDOO-WDEREUQCSA-N 263.341 0.533 10 10 CCCE CCCN(CCOc1ccc(N)cc1)CC(N)=O 311196824 FYRXNNVWEWOWIA-UHFFFAOYSA-N 251.330 0.845 10 10 CCCE CNCc1ccc(N2CC[C@@](O)(C(N)=O)C2)c(Cl)c1 311840952 MPASMLHLUQBUHY-ZDUSSCGKSA-N 283.759 0.486 10 10 CCCE NC[C@]12CCC[C@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 312742311 VMMABFZRXSMUGG-HZMBPMFUSA-N 277.324 0.694 10 10 CCCE Nc1ccc(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2O3)cc1 313265032 ZOJCQYAOZUXZTJ-WISYIIOYSA-N 274.276 0.862 10 10 CCCE CNCc1ccc(N2C[C@@H](O)[C@@H](CO)C2)c(F)c1 316593183 OITWPGCRBIWFJT-ZWNOBZJWSA-N 254.305 0.335 10 10 CCCE C[C@H]1OCCN(Cc2ccc(O)cc2O)[C@@H]1C(=O)O 328140037 QGFWYTFYMBVCSL-PELKAZGASA-N 267.281 0.772 10 10 CCCE Cc1cc(N2C[C@@H](CO)[C@@H](CO)C2)ccc1CO 704452685 PSVUDKOUNMXBBK-BETUJISGSA-N 251.326 0.524 10 10 CCCE O=C1NC(=O)[C@]2(CCN(Cc3cc(F)ccc3O)C2)N1 367931984 QGAUXUJCAUGIGQ-CYBMUJFWSA-N 279.271 0.315 10 10 CCCE O=C(NCCO)C1CCN(c2ccc(CO)cc2)CC1 711897447 ZEXYRYBXCLPESZ-UHFFFAOYSA-N 278.352 0.504 10 10 CCCE C[C@@H]1COCCN(C[C@H](O)COc2ccc(N)cc2)C1 399127083 PELXUUTUAMBKGJ-JSGCOSHPSA-N 280.368 0.977 10 10 CCCE Cc1cc(O)n2ncc(C(=O)N[C@H](C)C3(CO)CC3)c2n1 2064762956 JXTWDPWABVAHSS-SECBINFHSA-N 290.323 0.634 10 10 CCCE Cc1cc(O)n2ncc(C(=O)N3CC[C@@H](C)[C@@H]3CO)c2n1 2064888444 DXKULUVCJACXMA-KCJUWKMLSA-N 290.323 0.586 10 10 CCCE CN(Cc1ccc(F)c(F)c1O)[C@@H]1CCNC1=O 876814390 FTRFGSFNXVHCMJ-SECBINFHSA-N 256.252 0.991 10 10 CCCE C[C@H]1COC[C@@H](C(=O)O)N1C(=O)c1ccc(O)c(O)c1 2168270259 BPDPYMBXFYIEMS-CBAPKCEASA-N 281.264 0.412 10 10 CCCE C[C@H]1CNC[C@@H](CCNC(=O)c2cccc(O)c2O)O1 2181161618 BTLOAFHHCHHRNW-VHSXEESVSA-N 280.324 0.595 10 10 CCCE C[C@H](NC(=O)c1cc(O)c(O)c(O)c1)c1nc(O)n[nH]1 2188875124 OABDMCQVSKFFEC-BYPYZUCNSA-N 280.240 0.118 10 10 CCCE O=C(NC[C@@]1(F)CCCNC1)c1cc(O)c(O)c(O)c1 2188913305 QSPIUBPZQAAUBN-CYBMUJFWSA-N 284.287 0.625 10 10 CCCE O=C(N[C@H]1C[C@@H]2COC[C@@H]2C1)c1cc(O)c(O)c(O)c1 2188912306 JLTKWJFYRLXVDX-MYJAWHEDSA-N 279.292 0.958 10 10 CCCE C[C@H](N)C[S@](C)(=O)=NC(=O)c1ccc(O)c(O)c1 2042223808 WRPOSQWPCRURSM-VIIUKITBSA-N 272.326 0.683 10 10 CCCE CCCS(=O)(=O)NC1CN(c2ccc(N)cc2)C1 2046964416 ZZJJLZXVAWEMES-UHFFFAOYSA-N 269.370 0.787 10 10 CCCE CN[C@@H]1CCc2cc(N3C[C@H](CO)[C@@H](CO)C3)ccc21 2184721215 JSWOYTVMGJTFMW-XJKCOSOUSA-N 276.380 0.930 10 10 CCCE CN[C@@H]1CCc2cc(N3C[C@@H](CO)[C@@H](CO)C3)ccc21 2184721213 JSWOYTVMGJTFMW-DVOMOZLQSA-N 276.380 0.930 10 10 CCCE CCc1ncc([C@@H](NCCCN=[N+]=[N-])C(N)=O)[nH]1 2050305227 FWQDMOCPHVPYIC-SECBINFHSA-N 251.294 0.789 10 10 CCCE CN(Cc1cccc(F)c1O)[C@@H]1CC(=O)NC1=O 2051512975 FCLKEXACZBVIOR-SECBINFHSA-N 252.245 0.378 10 10 CCCE N[C@@H]1CN(Cc2ccc(O)c(O)c2)CC[C@@H]1CO 2058508503 DGEMKYNZXSIQJF-GHMZBOCLSA-N 252.314 0.239 10 10 CCCE CC(C)(O)[C@H]1CCN1C[C@H](O)COc1ccc(N)cc1 2191156978 OBVJUQUMQHXASE-GXTWGEPZSA-N 280.368 0.854 10 10 CCCE NC[C@H]1C[C@H](O)CN1C(=O)Nc1ccc(N)cc1 2071566888 LMESEIKXXMRBQZ-MNOVXSKESA-N 250.302 0.195 10 10 CCCE C[C@@H]1C[C@@H](NS(=O)(=O)Cc2ccc(N)cc2)CN1 2071695586 RMVHHBWOWMSZOT-BXKDBHETSA-N 269.370 0.439 10 10 CCCE NCc1nc(=NC(=O)Cc2ccc(N)cc2)s[nH]1 2071853875 XLXXFULSPKWOLJ-UHFFFAOYSA-N 263.326 0.182 10 10 CCCE Nc1ccc(CC(=O)N[C@H]2CCNCC[C@@H]2CO)cc1 2191683526 VRGJZBPSPYIPFF-OCCSQVGLSA-N 277.368 0.288 10 10 CCCE COC(=O)c1cccc(N)c1N[C@H]1CCNC[C@@H]1CO 2191694462 FNZDIFIWOLUBRT-SKDRFNHKSA-N 279.340 0.438 10 10 CCCE C[C@@H]1CC(=O)N(S(=O)(=O)CCOc2ccc(N)cc2)C1 2191767386 BXGUKGBRYSYRFT-SNVBAGLBSA-N 298.364 0.846 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC[C@H]2CCN[C@@H]2C1 2087442715 IUISWQNDDLJWFY-PSASIEDQSA-N 263.297 0.317 10 10 CCCE Nc1ccc(CN2C[C@]3(CO)CC[C@]3(CO)C2)cc1 2089498846 NYPYUUDQTAOPOM-GASCZTMLSA-N 262.353 0.836 10 10 CCCE Cc1cc(=N)[nH]c(=NCCc2ccc(O)c(O)c2)[nH]1 2092992014 SNSWMVBBLGKPAA-UHFFFAOYSA-N 260.297 0.685 10 10 CCCE CCCC[C@H](NC(=O)Cc1ccc(N)cc1)C(N)=O 108261081 NYCYHYHKOODDFY-LBPRGKRZSA-N 263.341 0.972 10 10 CCCE C[C@]1(CO)COCCN1C(=O)c1cccc(O)c1O 2112755743 YPFWKSKUOQUSBN-ZDUSSCGKSA-N 267.281 0.321 10 10 CCCE CCn1nnnc1CN[C@H](C)c1cc(O)ccc1O 2113070267 SQUAACMNNLVHLN-MRVPVSSYSA-N 263.301 0.955 10 10 CCCE C[C@@H](c1ccccc1O)N(C)C(=O)CN1CC(N)C1 2113010376 ALSYIXMAOHLLTP-JTQLQIEISA-N 263.341 0.555 10 10 CCCE Nc1ccc(OC[C@H](O)CN2C[C@H]3C[C@H]2[C@@H]3CO)cc1 2203127608 ADYAHTMDAYEIGW-LTZCYQRMSA-N 278.352 0.321 10 10 CCCE COc1cc(N2CC[C@](CO)(CCO)C2)ccc1CO 2204540586 ABJDJDOZZCJELK-HNNXBMFYSA-N 281.352 0.759 10 10 CCCE CNCc1ccc(N2CC(=O)NC(=O)[C@@H]2C)cc1OC 2204549036 HHRNPFGXGKUQNQ-VIFPVBQESA-N 277.324 0.266 10 10 CCCE Cc1cccc(CNC(=O)C[C@@]2(O)CCCNC2)c1O 2204610033 KPNYNKLTWSMACI-HNNXBMFYSA-N 278.352 0.821 10 10 CCCE CCNCc1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CF)cc1C 2205612244 NGRSOWVPKMCDAA-KKUMJFAQSA-N 282.359 0.984 10 10 CCCE Cc1cc([C@@H](C)O)ccc1N1CC[C@](O)(CO)C1 2223971676 BDORYOZRZIWYLL-BXUZGUMPSA-N 251.326 0.982 10 10 CCCE Cc1cc([C@H](C)N)ccc1N1CC[C@H](O)[C@@H](O)C1 2223927857 KMUDKDWYEMUXKC-BPNCWPANSA-N 250.342 0.947 10 10 CCCE CNCc1ccc(N2CC[C@](O)(CO)[C@@H](O)C2)cc1C 2234095439 GALPNKCPAJODBM-GJZGRUSLSA-N 280.368 0.009 10 10 CCCE COc1cc(N2CCOC[C@H](O)C2)cc(OC)c1OC 2235130871 DQZNYDMUCKQJKL-LLVKDONJSA-N 283.324 0.910 10 10 CCCE OC[C@@H]1NC[C@H]2CN(Cc3cc(F)cc(F)c3O)C[C@H]21 2235575158 PLACJLZPLMITJL-NDMJEZRESA-N 284.306 0.683 10 10 CCCE CNCc1cc(OC)ccc1N1C[C@@H](O)[C@H](O)C1(C)C 2235954538 NEPYCQYGBYFIAV-KGLIPLIRSA-N 280.368 0.735 10 10 CCCE C[C@H](O)c1ccc(N2CC(O)(CCO)C2)c(F)c1 2258289020 OGZYBGRDKSQJSR-VIFPVBQESA-N 255.289 0.813 10 10 CCCE O=C(N[C@@H]1C[C@@]12C[C@H]2C(=O)O)c1cc(O)nc(O)c1 2268071367 VFTSSYJKNHCKST-QRPMWFLTSA-N 264.237 0.086 10 10 CCCE COc1ccc(N2CCC[C@@H]3CNC(=O)[C@H]32)c(CN)c1 2279277362 SCVXJCBGEIXGNM-YGRLFVJLSA-N 275.352 0.869 10 10 CCCE COc1ccc(N2CCOC[C@H]2[C@@H](O)CO)c(C)c1C 2284604145 DIKIEZVUMMZUBW-KBPBESRZSA-N 281.352 0.870 10 10 CCCE CNC(=O)[C@@H]1COCCN1c1ccc([C@H](C)N)c(C)c1 2285139177 NHUPQRHRKIAJBC-FZMZJTMJSA-N 277.368 0.966 10 10 CCCE Cc1cc(N2CC[C@@](O)(CO)[C@@H](O)C2)ccc1[C@H](C)N 2285126156 FIFCGFXLRGVNPG-TUKIKUTGSA-N 280.368 0.309 10 10 CCCE Cc1cc(O)c([C@@H](C)N(CC(N)=O)CC(N)=O)cc1Cl 2286437736 WMNAMWIPPAHLOB-MRVPVSSYSA-N 299.758 0.688 10 10 CCCE O=C(O)CN(C(=O)c1cccc(O)c1O)[C@@H]1CCOC1 2288031307 WBMMAJBBYMUNIO-MRVPVSSYSA-N 281.264 0.414 10 10 CCCE CCOC(=O)c1cnc(NN(C)S(C)(=O)=O)s1 2301545384 XXHPJQFATIIIEI-UHFFFAOYSA-N 279.343 0.538 10 10 CCCE Cc1cc(CN)ccc1N1[C@H]2CC[C@@H]1C[C@H](O)[C@H]2O 2331966332 HOEAKTCQWCKCSN-UNQGMJICSA-N 262.353 0.917 10 10 CCCE NCc1cc(F)c(N2C[C@@H](O)[C@@H](O)[C@H]2CF)cc1Cl 2333236332 DJOLLHTYJIZLFY-UTUOFQBUSA-N 292.713 0.818 10 10 CCCE NCc1ccc(N2C[C@@H](O)C[C@@H]2CO)cc1C1CC1 2339145980 NBXJPTCNYABYRJ-KGLIPLIRSA-N 262.353 0.955 10 10 CCCE N[C@H]1C[C@H](C(=O)N2CCc3cc(O)c(O)cc3C2)C1 2341147249 GNKLRUNMOBCRBH-HOMQSWHASA-N 262.309 0.720 10 10 CCCE CN(C)c1ccc(CN[C@@]2(C(=O)O)CCNC2)cc1 2345089613 RXBNXNFHFGNMFD-AWEZNQCLSA-N 263.341 0.659 10 10 CCCE CO[C@H]1COCCN(C(=O)c2ccc(O)c(O)c2)C1 2351656431 PCDWFQZJTWYRSH-SNVBAGLBSA-N 267.281 0.585 10 10 CCCE Nc1ccc(OCC(=O)N[C@H]2CCN[C@@H]3CC[C@H]23)cc1 2357175313 GOQHUMHEDMORST-MJBXVCDLSA-N 275.352 0.904 10 10 CCCE CCN[C@@H](CO)CN1CCN(c2ccc(OC)cc2)CC1 70339706 LWUCSAQJQIKNHN-CQSZACIVSA-N 293.411 0.788 10 10 CCCE C[C@H](CCNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1)C(=O)O 128960080 TXBAHEXVLZLXDA-SCZZXKLOSA-N 296.323 0.195 10 10 CCCE COCCNC(=O)[C@H](C)OC(=O)COc1ccc(N)cc1 41093723 CTHLBAALQRJXAP-JTQLQIEISA-N 296.323 0.342 10 10 CCCE CC[C@@H](N)CC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 135550154 FJOURFWGRRAOJF-ZJUUUORDSA-N 296.323 0.337 10 10 CCCE Nc1ccc(NC(=S)NC[C@@H]2CCS(=O)(=O)C2)cc1 40166776 CHEGKLFMDQGUEC-VIFPVBQESA-N 299.421 0.990 10 10 CCCE CC(C)N(CC(N)=O)C(=O)Nc1ccc(N)cc1 42439322 GKAJYZDRJYNACM-UHFFFAOYSA-N 250.302 0.996 10 10 CCCE C[C@@H](c1cc(O)ccc1O)N1CCN(CC(=O)O)CC1 86730943 OFWPHNBQPINKHX-JTQLQIEISA-N 280.324 0.861 10 10 CCCE COc1cccc(C[C@H](O)C(=O)OCC(=O)C(C)=O)c1 808540078 MSNWYUUMZXRMJD-LBPRGKRZSA-N 280.276 0.300 10 10 CCCE CN(CC(=O)c1ccc(O)c(O)c1)C[C@H]1C[C@@H](O)C1 703806753 RQHPNKRBAJHYOJ-JGZJWPJOSA-N 265.309 0.983 10 10 CCCE C[C@@H]1[C@H](NS(=O)(=O)Cc2ccc(N)cc2)CCN1C 719429880 NLXUDVGOPJYEAI-ZWNOBZJWSA-N 283.397 0.781 10 10 CCCE O=C(c1c(F)ccc(O)c1O)N1CCN(C2CC2)C(=O)C1 826643072 BNETYBHTORHUOD-UHFFFAOYSA-N 294.282 0.684 10 10 CCCE CNC(=O)CCN(C)c1ccc2c(c1)NC(=O)[C@@H]2N 723189602 PWWLLMTZYNCIRZ-GFCCVEGCSA-N 262.313 0.211 10 10 CCCE COCCOC(=O)CN1C[C@H](C)Oc2cc(CN)ccc21 74337232 VNCNIPXRAKUYBL-NSHDSACASA-N 294.351 0.922 10 10 CCCE C[C@@H](N)c1ccc(N2C[C@@H](CO)[C@@H](CO)C2)cc1 704800339 DEONFQRAHUMORJ-RTXFEEFZSA-N 250.342 0.743 10 10 CCCE Nc1ccc(CCC(=O)N[C@H]2C=CS(=O)(=O)C2)cc1 88852739 YWAICPNIWRMWPM-LBPRGKRZSA-N 280.349 0.628 10 10 CCCE CNCc1ccc(N2CCN3C(=O)NC[C@@H]3C2)cc1 91754496 XGCJALKTFDWYRU-CYBMUJFWSA-N 260.341 0.620 10 10 CCCE COc1ccc(CNC[C@@H](C)c2nnn[nH]2)c(O)c1 95227592 MSALVVXKRJZTEQ-MRVPVSSYSA-N 263.301 0.807 10 10 CCCE NCc1ccc(N2C[C@@H]3C[C@H](C2)[C@H](O)[C@H]3O)c(F)c1 2126149820 FAWKCLYSJDDVIO-DJBIQUGXSA-N 266.316 0.462 10 10 CCCE COc1cccc(CN2CCO[C@@H](CCN)C2)c1O 2119436692 KAPPBGSGLVNGSH-LBPRGKRZSA-N 266.341 0.950 10 10 CCCE CO[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2O)C[C@H]1N 2130800183 QXODOURYKUUKIL-JVUFJMBOSA-N 266.297 0.332 10 10 CCCE O=[N+]([O-])c1cc(N2C[C@H]3[C@@H](O)C[C@H]3C2)ccc1CO 2132058103 MKTQJWCRZVXKKD-NDMJEZRESA-N 264.281 0.904 10 10 CCCE CN(CCCN=[N+]=[N-])C(=O)c1ccc(=O)n(C)n1 1912178646 OCTRLEOKLBYWSW-UHFFFAOYSA-N 250.262 0.553 10 10 CCCE [N-]=[N+]=N[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(C3CC3)C2)C1 1912169723 OBXFZAKLPYZNTN-BDAKNGLRSA-N 263.301 0.909 10 10 CCCE C[C@H](C(=O)N1CCOCC1)N1CC[C@@H](CN=[N+]=[N-])C1 1912181245 LTOLVKYVPXWEPX-MNOVXSKESA-N 267.333 0.866 10 10 CCCE C[C@H]1CC[C@H](N)CN1C(=O)c1cc(O)c(O)c(O)c1 2132406197 GGDHDXGQQSZFFT-CBAPKCEASA-N 266.297 0.755 10 10 CCCE Nc1ccc(OCCN2C[C@@H](O)CCC2=O)cc1 1914067969 HCOWWOLLNUPLBF-NSHDSACASA-N 250.298 0.631 10 10 CCCE CN(C[C@H](O)COc1ccc(N)cc1)C1(CO)CCC1 1914981582 GNBCDZLZZHBCDO-ZDUSSCGKSA-N 280.368 0.855 10 10 CCCE CCOC(=O)COCCNC(=O)Cc1ccc(O)c(O)c1 1627830787 DCHZHHOLUMOEOJ-UHFFFAOYSA-N 297.307 0.336 10 10 CCCE NC[C@H]1C[C@H](F)CN1C(=O)c1cc(O)nc(O)c1 1923565390 DMAGKNYHGIRTKI-JGVFFNPUSA-N 255.249 0.004 10 10 CCCE Cn1ncc(CCC(=O)NCc2cc(O)ccc2O)n1 1633598838 DGJFOBCWCMXVDK-UHFFFAOYSA-N 276.296 0.475 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@](O)(C(F)F)C1 1637041327 BYNISTUBKJTILI-CYBMUJFWSA-N 287.262 0.869 10 10 CCCE C[C@]1(C(=O)NCc2ccc(O)c(O)c2)CCCS1(=O)=O 1566359419 CEQQKXCNMVETAZ-CYBMUJFWSA-N 299.348 0.681 10 10 CCCE C[C@H](C(=O)NCc1cc(O)ccc1O)N1CCN(C)CC1 1643882387 USWGMPFXRVAPRB-LLVKDONJSA-N 293.367 0.350 10 10 CCCE Nc1ccc(CC(=O)N[C@H](CO)C[C@@H]2CCCO2)cc1 1926754370 KKSTZKFKUHNZIN-KBPBESRZSA-N 278.352 0.858 10 10 CCCE O=C(NCc1c(O)cccc1O)[C@]1(F)CCOC1 1645363390 SXGXOPPJVHAZNL-LBPRGKRZSA-N 255.245 0.843 10 10 CCCE C[C@H]1C(=O)NCCN1C(=O)[C@@H]1CNc2ccccc2N1 229881173 GIWOBPWVQVPBSL-CABZTGNLSA-N 274.324 0.240 10 10 CCCE O=C(/C=C\c1ccc(O)c(O)c1)N1CCC(CO)(CO)C1 1585845310 BZFPOOIDQNMKMJ-RQOWECAXSA-N 293.319 0.314 10 10 CCCE Cc1cccc(CNC(=O)Cn2ccc(=N)[nH]2)c1O 2139762693 BOZZADYPDNHQJK-UHFFFAOYSA-N 260.297 0.626 10 10 CCCE C[C@H](C(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-])S(C)(=O)=O 2213586363 WLVZTMDVWBDTJZ-CSMHCCOUSA-N 260.319 0.767 10 10 CCCE CN(c1ccc(N)cc1)[C@@H]1CC(CO)(CO)C[C@@H]1O 2141428100 HXOIKYZKGHERFX-OLZOCXBDSA-N 266.341 0.199 10 10 CCCE Nc1ccc(N2CCOC[C@]3(COCCN3)C2)cc1 1876666184 SEOWQKCFFBKSCQ-CQSZACIVSA-N 263.341 0.464 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@H]1C[C@H](N)CCO1 1966850643 NATACOPHDCYZCL-DGCLKSJQSA-N 264.325 0.857 10 10 CCCE C[C@@H](NCc1cc2c(cc1O)OCO2)C1CS(=O)(=O)C1 1967838703 DRDRESQSYXNOFS-MRVPVSSYSA-N 299.348 0.644 10 10 CCCE COc1cccc(O)c1CN1CC(O)(C(=O)O)C1 1968202531 PIDHYJKBHFXBNU-UHFFFAOYSA-N 253.254 0.032 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CCNCCC12CC2 1974042388 UDGXMUUBLLDJPB-UHFFFAOYSA-N 276.336 0.995 10 10 CCCE CN(C(=O)CN1CC[C@H](O)[C@@H](F)C1)c1ccc(N)cc1 2144573858 PDYYUXCMIRSBRT-STQMWFEESA-N 281.331 0.636 10 10 CCCE CCOC(=O)CCS(=O)(=O)N(C)c1ccc(N)cc1 49064002 LHKQZIJFUGLWNA-UHFFFAOYSA-N 286.353 0.988 10 10 CCCE C[S@](=O)CC[S@](=O)CC(=O)c1ccc(O)c(O)c1 2029177129 HPQXEBCVJOMLAI-ROUUACIJSA-N 290.362 0.408 10 10 CCCE C[C@H]1CCN(c2ccc(CN)c(F)c2)[C@H]1C(N)=O 2029775966 CJYSUIAJGAIPIT-QPUJVOFHSA-N 251.305 0.985 10 10 CCCE CCNC(=O)NCCNCc1ccc(O)cc1O 310941706 JWZQCFXMGLNEKO-UHFFFAOYSA-N 253.302 0.507 10 10 CCCE NC(=S)[C@H]1COCCN1C(=O)c1ccc(O)c(O)c1 700210955 LFFIJGMMQIFCJT-MRVPVSSYSA-N 282.321 0.225 10 10 CCCE N[C@H](c1ccccc1O)[C@]1(O)C[C@@H]2CS(=O)(=O)C[C@@H]2C1 2161086333 QCOPNMHEEAKYRF-QOBDMFJFSA-N 297.376 0.578 10 10 CCCE CC(C)C[C@H](NC(N)=O)C(=O)NCc1ccc(N)cc1 700734240 NBQONCRERGYUKJ-LBPRGKRZSA-N 278.356 0.968 10 10 CCCE O=C1Nc2cc(N3CC[C@H](N4CCC4)C3)ccc2[C@@H]1O 702316750 CTTKBQVERQHAQD-FZMZJTMJSA-N 273.336 0.957 10 10 CCCE NCc1ccc(N2CCC[C@](O)(C(N)=O)C2)c(F)c1 389184195 LRAKHPLJYHKAPA-CYBMUJFWSA-N 267.304 0.101 10 10 CCCE C[C@@H]1[C@H](CO)CCN1C[C@@H](O)COc1ccc(N)cc1 385931972 UXJGNLAQZTXEDL-MBNYWOFBSA-N 280.368 0.711 10 10 CCCE CCCC(=O)NCCNC(=O)Cc1ccc(N)cc1 392995346 HXXYHHGCKPRFLA-UHFFFAOYSA-N 263.341 0.844 10 10 CCCE CC(=O)NCCCNC(=O)CCOc1ccc(N)cc1 394775956 WWRBYNVSUSGMDM-UHFFFAOYSA-N 279.340 0.680 10 10 CCCE Cc1cc(O)n2ncc(C(=O)N(C)[C@@H](C)CCO)c2n1 2063421471 IUGPGOBVMVMQJK-VIFPVBQESA-N 278.312 0.586 10 10 CCCE C[C@@H](O)[C@@H]1CN(CC(=O)Nc2ccc(N)cc2)CCO1 2174141192 NKUJVMBBDJZTJQ-MFKMUULPSA-N 279.340 0.289 10 10 CCCE CO[C@@H]1C[C@H](CO)N(c2ccc(CO)c([N+](=O)[O-])c2)C1 2188576290 MRJHYVNRTQAQKC-VXGBXAGGSA-N 282.296 0.673 10 10 CCCE C[C@@H]1NC[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)C[C@H]1C 2188919930 QSRNHCXFPKZSPX-WEDXCCLWSA-N 280.324 0.920 10 10 CCCE C[C@H](O)CN(Cc1cc(N)ccc1O)C[C@@H](C)O 2041728814 LUEDGDBNKYUEQX-AOOOYVTPSA-N 254.330 0.538 10 10 CCCE CNC(=O)NCCNCc1c(O)cccc1OC 2042579049 IJJPWHQSQJVKIQ-UHFFFAOYSA-N 253.302 0.419 10 10 CCCE CO[C@@H]1C[C@H](C)CC[C@@]1(NCCN=[N+]=[N-])C(N)=O 2043828025 LXNGYWDHOWYYHH-KKZNHRDASA-N 255.322 0.945 10 10 CCCE C[C@](NCCCN=[N+]=[N-])(C(N)=O)[C@H]1CCCOC1 2049425793 XHNGTLKLWGSOEC-GXSJLCMTSA-N 255.322 0.947 10 10 CCCE Oc1cc(Cl)ccc1CN1C[C@@H](O)CC12CNC2 2066536709 BNBXGCARRFPEER-NSHDSACASA-N 268.744 0.954 10 10 CCCE C[C@]1(O)CC[C@@H](NC(=O)c2cc(O)nc(O)c2)C1 2066749807 GPJNKUXDRHFUFN-PELKAZGASA-N 252.270 0.526 10 10 CCCE CO[C@@H]1C[C@@H](NC(=O)COc2ccc(N)cc2)C[C@H]1O 2187352168 JRYPOBVVCKODPM-CYZMBNFOSA-N 280.324 0.302 10 10 CCCE C[C@@H](O)c1cc(F)c(N(C)C(CO)CO)c(F)c1 2074079972 GRVHVDIHHOZFFM-SSDOTTSWSA-N 261.268 0.808 10 10 CCCE Cc1cc(CN)ccc1N1CC[C@](C)(O)[C@H](O)C1 2077298274 DTGMTZAURQHXPV-KGLIPLIRSA-N 250.342 0.776 10 10 CCCE CCn1nncc1CNCc1ccc(O)c(O)c1O 2100252188 HDIRTPMSTWAHIC-UHFFFAOYSA-N 264.285 0.705 10 10 CCCE CC[C@@H](O)c1ccc(N2CC(OC)(C(N)=O)C2)cc1 2104899539 BHFLCBPLDSISHP-GFCCVEGCSA-N 264.325 0.821 10 10 CCCE COc1ccc(N2CCC[C@@](O)(CN)C2)c(OC)c1 2106351143 MQRCXHONAJLNAW-CQSZACIVSA-N 266.341 0.994 10 10 CCCE NC[C@@H]1COCCN(C(=O)c2cccc(O)c2O)C1 2098209149 QIKJFRLNBPOBJR-VIFPVBQESA-N 266.297 0.145 10 10 CCCE C[C@@H](c1ccccc1O)N(C)C(=O)[C@@H]1C[C@@H](O)CN1 225555306 CFZOABQPRVERRU-UMNHJUIQSA-N 264.325 0.634 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@@H]1CNC[C@@H](O)C1 2099168774 PXNSBJMFOJZQCR-RYUDHWBXSA-N 264.325 0.321 10 10 CCCE NC[C@]12CC[C@H]1CN(C(=O)Cc1ccc(O)c(O)c1)C2 2201354800 GMJAYCNSTLAVTK-NHYWBVRUSA-N 276.336 0.838 10 10 CCCE C[C@@]1(CO)COCCN(C(=O)c2cccc(O)c2O)C1 2199820358 JWEBEACQYKJHJM-CQSZACIVSA-N 281.308 0.569 10 10 CCCE Cc1ccc(O)c([C@H](C)N2C[C@H](O)[C@@H](O)[C@@H]2C(=O)O)c1 2200866055 SRDDTDQZTFKQBY-HWNAMQAFSA-N 281.308 0.252 10 10 CCCE NC1CN(C[C@@H](O)c2ccc(N3CCCC3)cc2)C1 2112981599 UATHIBMLISOUSZ-OAHLLOKOSA-N 261.369 0.963 10 10 CCCE CN(CCCc1ccc(N)cc1)[C@H]1CC(=O)NC1=O 2114734273 FENNZQGBDAJTEO-LBPRGKRZSA-N 261.325 0.548 10 10 CCCE COc1cc(N2CCC([C@@H](O)CO)CC2)ccc1CO 2204537070 QYTLGHPVAXEJGZ-AWEZNQCLSA-N 281.352 0.757 10 10 CCCE COc1cc(N2CC[C@H](O)[C@H](O)CC2)ccc1CO 2269133047 IJJILEWREVTQQV-BETUJISGSA-N 267.325 0.510 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CC[C@@H]2[C@H](O)C[C@H]2C1 2232790829 OLKFXWWQIZSIAK-LPEHRKFASA-N 279.292 0.646 10 10 CCCE Cc1cc([C@H](C)N)ccc1N1CC[C@@](O)(CO)C1 2223928483 OAXXRMNNFLNMJD-FZMZJTMJSA-N 250.342 0.948 10 10 CCCE COc1ccc(N2C[C@@H]3CN[C@@H](CO)[C@H]3C2)c(F)c1F 2235564655 IIKPIFGTTCJZAY-GUBZILKMSA-N 284.306 0.990 10 10 CCCE Cc1cc(N2C[C@@H](O)C[C@H](O)C2)ccc1[C@@H](C)O 2257480259 PKCLKMNDQXTUIF-WXHSDQCUSA-N 251.326 0.980 10 10 CCCE C[C@@H]1Cc2cc(N3C[C@H](O)[C@@H](O)[C@@H](CO)C3)ccc2O1 2289330645 MLROGVBNAXCWFX-RNKJKDHYSA-N 279.336 0.160 10 10 CCCE C[C@@H](O)[C@@H]1C[C@H]1NS(=O)(=O)Cc1ccc(N)cc1 2310396140 BDOLMNRDPRMGEH-JFUSQASVSA-N 270.354 0.458 10 10 CCCE OCc1ccc(N2C[C@@H]3C[C@H]2[C@H](O)[C@H](O)C3)c(F)c1 2330387846 YKTWQTAAGAONJR-PCDDKUFXSA-N 267.300 0.638 10 10 CCCE O[C@H]1CN(c2ccc3c(c2)OCCO3)[C@@H]2COC[C@@H]21 2333689244 OQYNCPLZLWGULI-TUAOUCFPSA-N 263.293 0.654 10 10 CCCE N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2NC(=O)Cc1ccc(O)c(O)c1 2354683711 GKHJVJLVHAUYLN-YFKTTZPYSA-N 276.336 0.882 10 10 CCCE COC(=O)CCOC(=O)COc1ccc(N)cc1 69319070 XDZORSTWJGWIKN-UHFFFAOYSA-N 253.254 0.754 10 10 CCCE Nc1ccc(-n2ccc(C(=O)O[C@@H]3CCOC3=O)n2)cc1 41102180 WLQJKCSUQGNSBH-GFCCVEGCSA-N 287.275 0.927 10 10 CCCE Nc1ccc(CC(=O)N2CSC[C@@H]2C(=O)O)cc1 40469318 AUOOHCGBYVLMPI-SNVBAGLBSA-N 266.322 0.797 10 10 CCCE NCc1ccc(N2CCC[C@@H]2C(N)=O)c(F)c1F 236217307 IDGBYUYHICQMBC-SECBINFHSA-N 255.268 0.878 10 10 CCCE C[C@@]12CN(C(=O)c3cc(O)nc(O)c3)C[C@]1(C(=O)O)C2 2165456645 NYVNZHQYSWKLQX-OLZOCXBDSA-N 278.264 0.430 10 10 CCCE Cc1c(CN[C@@H]2CN(C)NC2=O)n(C)c2ccccc12 393902524 QAPIEDXQOHNVDJ-GFCCVEGCSA-N 272.352 0.922 10 10 CCCE CC(=O)NCCN(C)c1ccc2c(c1)NC(=O)[C@H]2N 723153626 OYRZKFZYTCIPML-LBPRGKRZSA-N 262.313 0.211 10 10 CCCE CC(=O)C(=O)COC(=O)[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C 821257245 AKWDVLZWUZQSNT-BDAKNGLRSA-N 285.296 0.601 10 10 CCCE O=C(CNC(=O)c1ccccn1)NCc1ccccc1O 740084061 RSTSCUVKEVAHQC-UHFFFAOYSA-N 285.303 0.833 10 10 CCCE COC[C@@](C)(CNC(=O)c1cccc(O)c1O)OC 1895307179 CSPYLDMVIFTCNE-CYBMUJFWSA-N 269.297 0.879 10 10 CCCE CC(C)(CNS(C)(=O)=O)NCc1ccc(N)cc1 1334775316 VRIVCTMFRZSLBM-UHFFFAOYSA-N 271.386 0.686 10 10 CCCE COC(=O)C1(NC(=O)Cc2ccc(O)c(O)c2)CC1 1545863354 LMBLQQUSGJSSQU-UHFFFAOYSA-N 265.265 0.462 10 10 CCCE O=S1(=O)CC(CCNCc2cc3c(cc2O)OCO3)C1 786823634 APZXUVILMOKXNZ-UHFFFAOYSA-N 299.348 0.645 10 10 CCCE Cn1nc(C(=O)NCCCCN=[N+]=[N-])ccc1=O 701287166 TUIMCSBAHFCKJI-UHFFFAOYSA-N 250.262 0.601 10 10 CCCE Cc1nc(NS(=O)(=O)CCOc2ccc(N)cc2)n[nH]1 701525579 DKMKOAUJMAUKEX-UHFFFAOYSA-N 297.340 0.516 10 10 CCCE C[C@@H](C(=O)NCCc1ccc(N)cc1)N1CCOCC1 169819809 JLPKXCPVFNWXRF-LBPRGKRZSA-N 277.368 0.648 10 10 CCCE O=C(NCc1cc(O)nc(O)n1)c1cc(O)cs1 1143307838 GINBAYPPYNEGTC-UHFFFAOYSA-N 267.266 0.585 10 10 CCCE C[C@@H](C(N)=O)N(C)CCCC(=O)Nc1ccc(N)cc1 711088383 WDUVGRWAZIWPQI-JTQLQIEISA-N 278.356 0.793 10 10 CCCE Nc1ccc(OCC(=O)N2CC[C@@](F)(CO)C2)cc1 1917133210 DBZBGOFSMIGFQH-ZDUSSCGKSA-N 268.288 0.581 10 10 CCCE COc1cc(N)c(N2C[C@@H](CO)OC[C@H]2C)cc1OC 214218703 CYARNOXZMJJGQX-ZJUUUORDSA-N 282.340 0.872 10 10 CCCE C[C@@]1(NC(=O)Cc2ccc(O)c(O)c2)CCNC1=O 1639353260 ZJVCGMNLKNJEPI-CYBMUJFWSA-N 264.281 0.035 10 10 CCCE C[C@H]1C[C@@H](CNC(=O)c2cc(O)nc(O)c2)CCN1 2115850264 FGUWIFQCEPQVTD-IUCAKERBSA-N 265.313 0.611 10 10 CCCE NCc1ccc(N2C[C@H]3C[C@H](O)[C@H](O)[C@H]2C3)cc1F 2116694903 ZEFYIFQTHDZGKO-ULTHFGNCSA-N 266.316 0.605 10 10 CCCE CN(CCNS(C)(=O)=O)Cc1cc2c(cc1O)CCC2 1322808877 RJDCBLACWKPBNN-UHFFFAOYSA-N 298.408 0.862 10 10 CCCE NCc1ccc(N2C[C@@H]3C[C@H](C2)[C@H](O)[C@@H]3O)c(F)c1 2126154648 FAWKCLYSJDDVIO-DHPDLVEQSA-N 266.316 0.462 10 10 CCCE C[C@@H](O)c1ccc(N2C[C@@H]3C[C@H](C2)[C@H](O)[C@H]3O)cc1 2126158056 KJSVHLAIHWRAEX-FWTMIXAASA-N 263.337 0.918 10 10 CCCE CN[C@@H]1CCCc2cc(N3C[C@H](O)[C@H](O)C3)ccc21 2128271761 DQMTWVUOMLEXAL-KFWWJZLASA-N 262.353 0.825 10 10 CCCE Nc1ccc(CCC(=O)OC[C@@H]2CCNC2=O)cc1 2128748604 YEAAFBCTKUEKRV-NSHDSACASA-N 262.309 0.881 10 10 CCCE CN([C@@H]1CCCN(CCN=[N+]=[N-])C1)S(C)(=O)=O 1912148178 QGOSXEMBFVKOGP-SECBINFHSA-N 261.351 0.653 10 10 CCCE Nc1ccc(OCC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2CO)cc1 1905545589 BPEMMPQLSQSWBT-XDTLVQLUSA-N 262.309 0.487 10 10 CCCE CC1(C)OC[C@@H](NC(=O)c2ccc(O)c(O)c2)[C@@H]1N 1911073909 NSKAWZOPCOWOOG-KCJUWKMLSA-N 266.297 0.332 10 10 CCCE [N-]=[N+]=N[C@@H]1CCCN(CCN2C(=O)CNC2=O)C1 1912183508 QDXPNQPXMBTFAA-MRVPVSSYSA-N 252.278 0.313 10 10 CCCE [N-]=[N+]=NCCCN1C(=O)[C@H]2CCCN2S1(=O)=O 1912195356 OOHBEQAOIORUTM-SSDOTTSWSA-N 259.291 0.238 10 10 CCCE CC(C)[C@H]1C(=O)NCCN1C(=O)Cc1ccc(O)c(O)c1 1443260318 ROUFTJYRPWGFOR-AWEZNQCLSA-N 292.335 0.623 10 10 CCCE CNC(=O)N[C@H]1CCN(C(=O)c2cc(O)cs2)C1 1447474719 HEPNLRMLEQHGJJ-ZETCQYMHSA-N 269.326 0.597 10 10 CCCE CC(=O)N[C@@H](C)C(=O)NCc1cc(O)ccc1O 1455349066 OAXGMYJCGGCVBN-ZETCQYMHSA-N 252.270 0.239 10 10 CCCE Nc1ccc(CC(=O)N[C@@H]2CCSC2=O)cc1 1865956734 GKDMNPQFEPPFNS-SNVBAGLBSA-N 250.323 0.960 10 10 CCCE CCN(CC)C(=O)CN(C)C(=O)Cc1ccc(O)c(O)c1 1539059339 VNOFXKDUIQJPLF-UHFFFAOYSA-N 294.351 0.967 10 10 CCCE COc1cc(CN2CCOCC2)ccc1N1CCNCC1 212638700 DRVQAKBUFPAEKU-UHFFFAOYSA-N 291.395 0.937 10 10 CCCE O=C(O)[C@]1(CO)CCN(Cc2c(O)cccc2F)C1 2136397355 LODIKBAUVIGZBG-CYBMUJFWSA-N 269.272 0.800 10 10 CCCE O=C(NCc1cccc(O)c1O)c1cnnc(O)c1 1637046822 ZYEKIOGZUFLJAY-UHFFFAOYSA-N 261.237 0.523 10 10 CCCE Cn1cc([C@H](O)C(=O)NCc2c(O)cccc2O)cn1 1635847109 HSHFUOLREVFIKY-LBPRGKRZSA-N 277.280 0.181 10 10 CCCE C[C@@H]1CN(c2cc3c(cc2N)OCCO3)CC(=O)N1C 1925983713 JNSURGRXCXWLFX-SECBINFHSA-N 277.324 0.707 10 10 CCCE CCOC(=O)C[C@H](CO)NC(=O)Cc1ccc(O)c(O)c1 1569857127 DSCGQVXKEZCJSB-SNVBAGLBSA-N 297.307 0.071 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCc2cncn2C1 1643475014 DLOPSDDPTABRNK-LLVKDONJSA-N 287.319 0.968 10 10 CCCE Cn1nnc2cc(C(=O)NCc3c(O)cccc3O)cnc21 1652626509 XBASMCXIAXPRKI-UHFFFAOYSA-N 299.290 0.705 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1CCSC1 231353882 XJJLMZWYWDLVGU-ZJUUUORDSA-N 282.365 0.589 10 10 CCCE COc1cc(N2CCCN(C)C(=O)C2)ccc1CO 2139704132 HTMQSCNZEXPDJO-UHFFFAOYSA-N 264.325 0.856 10 10 CCCE COc1ccc(N2CC[C@H](C)NC(=O)[C@@H]2CO)cc1 252202678 UKPVRKUOSDUWAS-GWCFXTLKSA-N 264.325 0.771 10 10 CCCE N[C@H](CNCc1ccc2c(c1)CCCO2)CC(=O)O 258898674 KVGRGYPXBKPVMP-LBPRGKRZSA-N 264.325 0.903 10 10 CCCE CN(C(=O)CN(C)C(C)(C)CO)c1ccc(N)cc1 125954573 WQMVQKPJDNPBIE-UHFFFAOYSA-N 265.357 0.934 10 10 CCCE CO[C@@H]1CNCC[C@H]1NC(=O)Cc1ccc(N)cc1 1876444738 TVBWYLJDJAKHLZ-CHWSQXEVSA-N 263.341 0.304 10 10 CCCE C[C@@H](NC(=O)[C@]1(N)C[C@@H](CO)C1)c1ccccc1O 1879675141 WWKYAKZLGWVRDT-RULNRJAQSA-N 264.325 0.669 10 10 CCCE COc1cccc(CN[C@]2(C)CCNC2=O)c1O 897871981 QBAHSDWAWQWNHR-CYBMUJFWSA-N 250.298 0.769 10 10 CCCE CC(C)(C)OC(=O)N1CC(CO)(C(=O)NCCN=[N+]=[N-])C1 1885556523 BGSCXKIGKWRPFW-UHFFFAOYSA-N 299.331 0.642 10 10 CCCE NCC[C@H]1COCC(=O)N1Cc1ccccc1O 258045196 GSQBPEJVMMBVEX-NSHDSACASA-N 250.298 0.468 10 10 CCCE C[C@](O)(C1CCS(=O)(=O)CC1)[C@@H](N)c1ccccc1O 2148154234 RITCPAPKNOBFHI-KBPBESRZSA-N 299.392 0.968 10 10 CCCE CO[C@H](C)CCS(=O)(=O)N(C)CCN=[N+]=[N-] 1979019733 PCLAUQPKRNXSOT-MRVPVSSYSA-N 250.324 0.983 10 10 CCCE COC(=O)[C@H](NCCN=[N+]=[N-])c1c(C)nn(C)c1OC 158483315 HLDSSDLGJJWIBF-SECBINFHSA-N 282.304 0.851 10 10 CCCE CC(C)N(Cc1ccc(N)cc1)c1n[nH]c(=O)[nH]c1=O 37671765 VCYRUNANYOAREN-UHFFFAOYSA-N 275.312 0.455 10 10 CCCE Cc1cc(N(C)CCS(=O)(=O)N(C)C)ccc1CCN 2151052966 OTKJPASWLZAHIP-UHFFFAOYSA-N 299.440 0.824 10 10 CCCE COc1ccc(N(C)CCNCCS(C)(=O)=O)cc1 53434190 DCYPUYLKBPQQPN-UHFFFAOYSA-N 286.397 0.766 10 10 CCCE Nc1ccc(NC(=O)CN2CC[C@H](C3OCCO3)C2)cc1 2029140047 YMFBTEBPGWUDFF-NSHDSACASA-N 291.351 0.902 10 10 CCCE CN(Cc1cc[nH]n1)S(=O)(=O)Cc1ccc(N)cc1 400111923 HIWAUZUJSCQWSF-UHFFFAOYSA-N 280.353 0.954 10 10 CCCE [N-]=[N+]=NCCCN[C@]1(C(=O)O)CC(=O)N2CCC[C@H]21 311325118 CHMSFPXILIOCFM-GZMMTYOYSA-N 267.289 0.495 10 10 CCCE O=C(NC[C@@H](O)C1CCC1)c1cc(O)nc(O)c1 315956859 CJJRUDKMKLBNJU-SECBINFHSA-N 252.270 0.384 10 10 CCCE O=C(O)c1ccnc(NC(=O)c2cc(O)nc(O)c2)c1 79703180 ZAJQCGPJHYODOG-UHFFFAOYSA-N 275.220 0.838 10 10 CCCE O=S1(=O)C[C@H]2C[C@H]1CN2Cc1cc(F)ccc1O 319977179 JLKOTKQDNHZQTK-MNOVXSKESA-N 271.313 0.903 10 10 CCCE CO[C@@]1(C(=O)N(C)Cc2ccccc2O)CCNC1 704195929 LUWYCFBBDGDGBK-AWEZNQCLSA-N 264.325 0.729 10 10 CCCE CCNCc1ccc(N(C)[C@H]2CC(=O)NC2=O)cc1C 2171193421 SZLARBLWHQHXIS-ZDUSSCGKSA-N 275.352 0.956 10 10 CCCE C[S@@](=O)C1(CNC(=O)COc2ccc(N)cc2)CC1 380140033 LBSUTDGDZQHYDY-LJQANCHMSA-N 282.365 0.675 10 10 CCCE Nc1ccc(OC[C@H](O)CN2CCSC[C@H]2CO)cc1 387797850 OXHPJJGUVAKTJW-CHWSQXEVSA-N 298.408 0.418 10 10 CCCE CN1C[C@H](CNCc2cccc(O)c2O)CC1=O 723570788 KFTRBHKVTSPRPA-VIFPVBQESA-N 250.298 0.666 10 10 CCCE N=c1nc2ccc(=NCCc3ccc(N)cc3)[nH]n2[nH]1 2173818112 IGIZHFHUGNJZLF-UHFFFAOYSA-N 269.312 0.196 10 10 CCCE O=C(N[C@@H]1C[C@H]2[C@@H](C1)[C@@H]2C(=O)O)c1cc(O)nc(O)c1 2169220894 CPWGGMTXBOOHGP-XYKVAMEPSA-N 278.264 0.332 10 10 CCCE CCN(C(=O)c1cccc(O)c1O)C1CN(C)C1 1148218612 HSFJVPBTOBLDOY-UHFFFAOYSA-N 250.298 0.874 10 10 CCCE CN(C)C[C@@H]1CCCN1C(=O)c1cc(O)c(O)c(O)c1 2188868282 OMPDVTJZXDKXAR-JTQLQIEISA-N 280.324 0.970 10 10 CCCE OC[C@H]1COCC[C@@H]1NCc1cc2c(cc1O)OCO2 2193252872 JCFVVOIOPWQXME-QWRGUYRKSA-N 281.308 0.608 10 10 CCCE COc1ccc(N2C[C@H]3C[C@H]2[C@@H](O)[C@@H]3O)c(N)c1 2042552782 VFCFSCKQTMKBOH-SZOBPAOMSA-N 250.298 0.208 10 10 CCCE COC(=O)C1(O)CN(c2ccc3c(c2)CCC[C@@H]3O)C1 2184681010 YUAJUJQUASZVKO-ZDUSSCGKSA-N 277.320 0.780 10 10 CCCE [N-]=[N+]=NCCCN1CCC2(CC1)NC(=O)NC2=O 2051082053 CHLGIDCGPODGPW-UHFFFAOYSA-N 252.278 0.361 10 10 CCCE CO[C@@H]1CN([C@H](C)c2c(O)cccc2O)C[C@@H]1N 2058777818 YFQUUNQMJCMCOA-VDDIYKPWSA-N 252.314 0.817 10 10 CCCE CNC(=O)NC(=O)CCN1CCC[C@@H]1CN=[N+]=[N-] 2059056796 AHSZCDTVAMOSRF-MRVPVSSYSA-N 254.294 0.607 10 10 CCCE OCC(CO)CNCc1ccc2c(c1)CCCO2 2059271987 LARUXGWQHAMWLI-UHFFFAOYSA-N 251.326 0.702 10 10 CCCE N[C@H]1C[C@H]2CC[C@H]1CN2C(=O)Cc1ccc(O)c(O)c1 2191486757 NOVPXPJZAULGRB-TUAOUCFPSA-N 276.336 0.979 10 10 CCCE CN[C@H](C)[C@@H]1CCN1C(=O)Cc1ccc(O)c(O)c1 2107308295 YJEGVYPUXKHOII-KOLCDFICSA-N 264.325 0.849 10 10 CCCE Nc1ccc(CC(=O)N[C@@H]2COCC2(F)F)cc1 2067446917 DQLUFAMGCNIBDR-SNVBAGLBSA-N 256.252 0.962 10 10 CCCE NC[C@@H]1CC[S@@](=O)(=NC(=O)COc2ccc(N)cc2)C1 2191674718 UBZYXAJQONWVHZ-FVINQWEUSA-N 297.380 0.621 10 10 CCCE Oc1ccc(F)cc1CN1CCN[C@H]2COC[C@H]21 2068828985 DFPHIQFBRLSWMF-NWDGAFQWSA-N 252.289 0.704 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@H]3OCC[C@@H]3C2=O)cc1 2191784217 LPPYBTYFUROUIZ-NWDGAFQWSA-N 296.348 0.346 10 10 CCCE CC1(C)SCCN[C@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 2073578752 UYPNESUOKXZIMT-AUTRQRHGSA-N 270.398 0.736 10 10 CCCE CC1(C)SCCN[C@@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 2073578753 UYPNESUOKXZIMT-KBVBSXBZSA-N 270.398 0.736 10 10 CCCE COC1CC(CN)(NC(=O)c2cc(O)c(O)c(O)c2)C1 2198590030 YIZIWUOPNPVGFB-UHFFFAOYSA-N 282.296 0.040 10 10 CCCE CN(C)c1ccc(CN2C[C@H](N)[C@@H]3COC[C@@H]32)cc1 2102142866 WMCGDIKNPAYNKS-KKUMJFAQSA-N 261.369 0.911 10 10 CCCE COc1cccc(CN2C[C@H](N)[C@@H]3COC[C@@H]32)c1O 2102140449 IKFPWSJNSSVOOA-SRVKXCTJSA-N 264.325 0.559 10 10 CCCE Nc1ccc(CC(=O)N2CC=C[C@@H](C(=O)O)C2)cc1 2103545582 GXQVZJPQWRCZJC-LLVKDONJSA-N 260.293 0.911 10 10 CCCE COC1CN(S(=O)(=O)N2CCC[C@@H](CN=[N+]=[N-])C2)C1 2105639837 JCZQBBQPBYANLX-VIFPVBQESA-N 289.361 0.584 10 10 CCCE COCC(O)(COC)[C@H](N)c1ccc(N(C)C)cc1 2106849957 CNVGTXQQPTUYCW-CYBMUJFWSA-N 268.357 0.776 10 10 CCCE CN1C[C@H](O)[C@H](NCc2ccc3c(c2)CCN3C)C1 2090340737 TUSWAAULMYAOGS-HIFRSBDPSA-N 261.369 0.443 10 10 CCCE COc1cc(N)c(N2CC[C@@H](O)C[C@H]2CO)cc1OC 2200831721 BPCOXSBOZWJKFX-VHSXEESVSA-N 282.340 0.608 10 10 CCCE CN(c1ccc2c(c1)OCCO2)[C@@H]1COC[C@@H]1O 2219596733 FORZMSPSZAJEBF-MNOVXSKESA-N 251.282 0.654 10 10 CCCE CN(C)c1ccc(OCC[C@@](C)(N)C(N)=O)cc1 2221873713 FRBADRYLHQAFBO-CYBMUJFWSA-N 251.330 0.724 10 10 CCCE Cc1nc(NC(=O)c2cc(O)c(O)c(O)c2)no1 2224075537 BXFINVKNWPEGFW-UHFFFAOYSA-N 251.198 0.747 10 10 CCCE COc1ccc(N2CCOC[C@@H]2[C@H](O)CO)c(F)c1F 2235221915 DYANTAUKSHYMBL-NXEZZACHSA-N 289.278 0.532 10 10 CCCE CC(C)(C)[C@H]1CNC[C@@H](COc2nnc(=N)[nH]n2)C1 2226133359 JFQUYIXWHYTMTO-DTWKUNHWSA-N 266.349 0.330 10 10 CCCE NCc1ccc(N2C[C@@H]3C[C@H](O)[C@@H](O)C[C@H]3C2)c(F)c1 2236980450 QOLLHYNPERHADN-GVARAGBVSA-N 280.343 0.852 10 10 CCCE NCCCn1cc(NC(=O)c2ccc(O)c(O)c2)cn1 2237706091 DXPOYHCCDSGZQA-UHFFFAOYSA-N 276.296 0.895 10 10 CCCE OCCC1(O)CN(c2c(F)cc(CO)cc2F)C1 2258289656 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C[C@@H](N)c1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CF)cc1 2084799204 SDCSUUGXLPVEAP-YJRXYDGGSA-N 254.305 0.586 10 10 CCCE COc1cc(N)c(N2C[C@@H](O)C[C@H](O)C2)cc1OC 2105069572 CBIFVJWOHUWCIR-IUCAKERBSA-N 268.313 0.218 10 10 CCCE NC[C@H](CNC(=O)c1cc(O)nc(O)c1)C(F)(F)F 2105245164 NYJHMLKWVLYXDJ-ZCFIWIBFSA-N 279.218 0.360 10 10 CCCE O=C(N[C@]12COC[C@H]1C2(F)F)c1cccc(O)c1O 2105565864 XBGTUABCGPACOG-LDYMZIIASA-N 271.219 0.862 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1C[C@H]2CCNC[C@@H]2C1 2087094542 KZSPALUOOYRPOR-PSASIEDQSA-N 263.297 0.174 10 10 CCCE NCc1ccc(N2C[C@@H]3CS(=O)(=O)C[C@H]3C2)c(F)c1 2087858438 MCJWNTMSDKFNAB-GHMZBOCLSA-N 284.356 0.765 10 10 CCCE CN1C(=O)[C@H](O)c2ccc(N3CC=C[C@@H](O)C3)cc21 2108773485 OGJYKHRFSQHBES-ZWNOBZJWSA-N 260.293 0.434 10 10 CCCE C[S@](=O)CC1CN(c2ccc([N+](=O)[O-])c(CO)c2)C1 2110336824 QLMZQPHYFJYACZ-IBGZPJMESA-N 284.337 0.902 10 10 CCCE O=C1Nc2cc(N3CC[C@@H]4C[C@]4(O)C3)ccc2[C@@H]1O 2114556561 CNXTVKOBCZQYGR-XOZVTBISSA-N 260.293 0.633 10 10 CCCE O=C(O)[C@@H]1CNCCN1c1ccc2c(c1)OCCO2 606602871 QSSILCLOMPCODN-JTQLQIEISA-N 264.281 0.321 10 10 CCCE Cc1cccc(CNC(=O)C23COC(CN)(C2)C3)c1O 2204629880 PPGCLHORQNOMSH-UHFFFAOYSA-N 276.336 0.825 10 10 CCCE Nc1ccc(CC(=O)N2CC[C@H](OCCCO)C2)cc1 2207094108 UKOYJOUQXFTOSC-AWEZNQCLSA-N 278.352 0.811 10 10 CCCE CN[C@H](C)c1ccc(N2CC[C@](O)(CO)[C@H](O)C2)cc1 2234101536 SOSDOIJXGQQAJG-DFBGVHRSSA-N 280.368 0.261 10 10 CCCE OC[C@@]1(O)CCN(c2ccc3c(c2)CCCO3)C[C@@H]1O 2235056924 WIYZKMTZYGUDBM-GJZGRUSLSA-N 279.336 0.306 10 10 CCCE COc1ccc(N2C[C@@H]3C[C@H]2CN3C(N)=O)c(CO)c1 2236000153 RHYHVVRSEMSYIM-QWRGUYRKSA-N 277.324 0.529 10 10 CCCE O[C@H]1[C@H]2C[C@@H]([C@H]1O)N(c1ccc3c(c1)OCCO3)C2 2226761378 DNTSLGDWTDPHOZ-UVJIQFMESA-N 263.293 0.388 10 10 CCCE COc1ccc(N2C[C@@H](CO)C[C@H]2CO)c(C=O)c1 2227691745 DJMOUHGBJDLMEN-JQWIXIFHSA-N 265.309 0.687 10 10 CCCE NCCn1cc(NC(=O)Cc2ccc(N)cc2)cn1 2229347616 BPXQTVNFPUTXDQ-UHFFFAOYSA-N 259.313 0.605 10 10 CCCE Cc1cc(N2CC[C@H]2[C@@H](O)CO)ccc1[C@@H](C)N 2258333101 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XVFJXUNCFVREAF-UHFFFAOYSA-N 252.270 0.153 10 10 CCCE C[C@H](O)CCNC(=O)/C=C/c1ccc(O)c(O)c1 180795506 SHFYOTXTSQDKNS-SGRBOOSSSA-N 251.282 0.998 10 10 CCCE CCN(CC(=O)OC)C(=O)c1ccc(O)c(O)c1 227026370 ALKCUGDHWYJOMA-UHFFFAOYSA-N 253.254 0.733 10 10 CCCE CN1C(=O)CNC[C@H]1c1cccc([N+](=O)[O-])c1O 1952066018 JUCYBUQMJAQBGP-VIFPVBQESA-N 251.242 0.403 10 10 CCCE CCCNC(=O)CNC(=O)COc1ccc(N)cc1 40304304 IMBJENPPUORDJY-UHFFFAOYSA-N 265.313 0.290 10 10 CCCE Oc1ccccc1CNC[C@@H](O)CN1CCOCC1 134296920 GDGAAXGDUZRSAD-CYBMUJFWSA-N 266.341 0.175 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N3CCN4CCC[C@@H]4C3)cc21 131410097 SBZMMNOTSHKUKB-DOMZBBRYSA-N 286.379 0.947 10 10 CCCE COC(=O)[C@@]1(NCCN=[N+]=[N-])CCN2CCC[C@H]21 228019205 PYCAGQAPBYVQTJ-GXSJLCMTSA-N 253.306 0.666 10 10 CCCE Nc1ccc(CC(=O)N2CCS(=O)CC2)cc1 49692437 ZNNMUOQJWXJYKJ-UHFFFAOYSA-N 252.339 0.402 10 10 CCCE C[C@H](NCc1ccc(O)c(O)c1O)c1nnc[nH]1 230419894 BPCIZCKLFQAZDB-LURJTMIESA-N 250.258 0.772 10 10 CCCE C[C@H]1Cc2cc(N3CCOC[C@]3(CN)CO)ccc2O1 2162671312 QAGWBRDKKFHNKC-NHYWBVRUSA-N 278.352 0.536 10 10 CCCE CN(C)c1ccc([C@H](N)[C@]2(O)CCCS(=O)(=O)C2)cc1 2163133199 KQBMCCCFBZYILS-KBPBESRZSA-N 298.408 0.692 10 10 CCCE CC(=O)C(=O)COC(=O)[C@@H](C)NC(=O)C1CCCCC1 808507466 NGMYSIPEPPIFMZ-SECBINFHSA-N 283.324 0.773 10 10 CCCE COc1ccc(CNCC(=O)NCC(F)F)c(O)c1 393705818 LLIQZRMEEKYVBT-UHFFFAOYSA-N 274.267 0.872 10 10 CCCE Cc1cc(NS(=O)(=O)C[C@@H]2CNCCO2)ccc1O 722232688 KYNPSKPYZUVLGM-NSHDSACASA-N 286.353 0.431 10 10 CCCE C[C@@H](NC(=O)[C@H]1COC(=O)N1)c1ccccc1O 827946429 HRCTUQSWNNJMMX-VXNVDRBHSA-N 250.254 0.678 10 10 CCCE Cc1cc(N(C)C)ccc1CNC(=O)CCNC(=O)CO 906714105 OCJUUZGFAMNXNR-UHFFFAOYSA-N 293.367 0.176 10 10 CCCE Cc1ccc(O)c([C@H](C)NC[C@H](O)CS(C)(=O)=O)c1 927027274 SUNJNMYNYGPEOA-QWRGUYRKSA-N 287.381 0.757 10 10 CCCE COC(=O)c1ccc(O)c([C@@H](C)N[C@H]2CCNC2=O)c1 850483353 YEYDVNIRUIAEOI-KCJUWKMLSA-N 278.308 0.718 10 10 CCCE COC[C@@H]1CNCCN1C(=O)Cc1ccc(N)cc1 1343055969 QWQQAPUNEBPMLP-ZDUSSCGKSA-N 263.341 0.258 10 10 CCCE CN(c1ccc(CN)c(Cl)c1)[C@H]1COC[C@@H]1O 709397091 CEJRYXDLIAXIHQ-RYUDHWBXSA-N 256.733 0.995 10 10 CCCE CO[C@@H]1CS(=O)(=O)C[C@@H]1N(C)Cc1cc(C)ccc1O 697036895 NLAATVPMPZAXKN-GXTWGEPZSA-N 299.392 0.944 10 10 CCCE O=C(CSc1n[nH]c(O)n1)NCc1cccc(O)c1O 1153798394 QUQVRRTUXKSBMO-UHFFFAOYSA-N 296.308 0.330 10 10 CCCE CCOC(=O)[C@@H](O)CN1CCC(CN=[N+]=[N-])CC1 1912211160 SVAONFWQGBWSIT-JTQLQIEISA-N 256.306 0.933 10 10 CCCE C[C@@H]1C(=O)N(CCc2ccc(N)cc2)C[C@@H]1C(=O)O 2118961130 LALPVIHGMNSWNY-CABZTGNLSA-N 262.309 0.990 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CC[C@@H]2[C@@H](O)C[C@H]21 2132350953 RWTSPYINMLNCQE-YIZRAAEISA-N 265.265 0.399 10 10 CCCE CN(C(=O)c1ccc(O)c(O)c1)C1COCCOC1 2131505902 SPVOEYIJVLVXTM-UHFFFAOYSA-N 267.281 0.585 10 10 CCCE CSCC[C@H](O)C(=O)NCc1cccc(O)c1O 1349076923 AMLGVHPAWJYRMB-JTQLQIEISA-N 271.338 0.828 10 10 CCCE CN(C)S(=O)(=O)CCN1CCC[C@@H](N=[N+]=[N-])C1 1912153404 GPKPOMIXPJKYHM-SECBINFHSA-N 261.351 0.653 10 10 CCCE CNS(=O)(=O)c1cc(C(=O)N2CC(N=[N+]=[N-])C2)n(C)c1 1912149514 HISGKANIAPJTQD-UHFFFAOYSA-N 298.328 0.068 10 10 CCCE CCNC[C@H](C)N(C)C(=O)c1cc(O)c(O)c(O)c1 2132402646 DZBDEIFNQNOFRH-QMMMGPOBSA-N 268.313 0.873 10 10 CCCE CC(=O)C[C@@H]1COCCN1C(=O)c1cccc(O)c1O 1447629187 OQEBUPQLCBMLCW-SNVBAGLBSA-N 279.292 0.918 10 10 CCCE COc1ccc(CN2C[C@H](O)C[C@H]2C(=O)O)c(O)c1 2136093565 OPZYSTCBYJGZLO-KOLCDFICSA-N 267.281 0.421 10 10 CCCE C[C@H](CNC(=O)c1c(F)ccc(O)c1O)c1nncn1C 1472548658 YAMIGFNJUWZKEJ-SSDOTTSWSA-N 294.286 0.899 10 10 CCCE C[C@H](CNC(=O)[C@H]1CNc2ccccc2N1)[S@@](C)=O 229884977 PGIHWEJAMSOBFW-DPXNYUHVSA-N 281.381 0.776 10 10 CCCE O=C(NC[C@H]1[C@H]2CN[C@H]1C2)c1cc(O)c(O)c(O)c1 2138326925 LNNSSRDEGZYXFR-VGMNWLOBSA-N 264.281 0.141 10 10 CCCE CNC(=O)[C@H]1CCN(c2ccc(CN)c(OC)c2)C1 2139700701 MZEPDQRJSFUABY-NSHDSACASA-N 263.341 0.726 10 10 CCCE [N-]=[N+]=NCCCN[C@@]1(C(=O)O)CCN2CCC[C@@H]21 168165231 HOTWFXNMCXHBLF-KOLCDFICSA-N 253.306 0.968 10 10 CCCE C[C@@H]1CN(C)CCN1c1cc2c(cc1N)OCC(=O)N2 235330146 BQVHSQRCQUTIIP-SECBINFHSA-N 276.340 0.740 10 10 CCCE Nc1ccc(-n2nnc(C(=O)NCc3ccncc3)n2)cc1 1857878495 DWNKPTXSANGCKB-UHFFFAOYSA-N 295.306 0.570 10 10 CCCE C[C@H](C1CNC1)N(C)S(=O)(=O)Cc1ccc(N)cc1 1876175183 ZJWGIZANYBFCBO-SNVBAGLBSA-N 283.397 0.638 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@H]2CNCC23CC3)cc1 1876471145 KCKQMVHTIMXXLT-LBPRGKRZSA-N 281.381 0.440 10 10 CCCE C[C@@H](N=c1cc[nH]c(C(N)=O)n1)c1ccccc1O 1877584217 BJQUCJVPZRZBIW-MRVPVSSYSA-N 258.281 0.876 10 10 CCCE N[C@]1(C(=O)NCCc2ccc(O)c(O)c2)CC[C@H]2C[C@H]21 1968739217 MQGSMYBSIUUEFA-FIXISWKDSA-N 276.336 0.884 10 10 CCCE COc1cccc(CNc2cnn(CC(N)=O)c2)c1O 36998593 BMMCMDICUPPKDZ-UHFFFAOYSA-N 276.296 0.695 10 10 CCCE C[C@@H](O)c1cnc(SC2=NC(=O)CC(=O)N2)s1 1997406583 DKPMYDZFWDDUCO-SCSAIBSYSA-N 271.323 0.691 10 10 CCCE CN(C)c1ccc([C@@H](O)C2CS(=O)(=O)C2)cc1 1999508514 KCOVGMDKFYBCEG-GFCCVEGCSA-N 255.339 0.831 10 10 CCCE O=[N+]([O-])c1ccc(N2CCOC[C@@H](CO)C2)cc1CO 2154501108 COIJJTSPMVCNMR-SNVBAGLBSA-N 282.296 0.532 10 10 CCCE [N-]=[N+]=NCCCN[C@@]1(C(N)=O)CCCO[C@@]12CCOC2 2155116738 SWCBJJZPOZHPOS-VXGBXAGGSA-N 283.332 0.470 10 10 CCCE OCc1ccc(N2CCC([C@H](O)CO)CC2)cc1 2035034469 KIAMRTYHWCTYCW-CQSZACIVSA-N 251.326 0.749 10 10 CCCE CSCC1CN(C(=O)[C@@H](N)Cc2ccc(O)c(O)c2)C1 2161171782 XPIOWMCVIYRPDA-NSHDSACASA-N 296.392 0.789 10 10 CCCE CN(CCCOc1ccc(N)cc1)[C@@H]1CC(=O)NC1=O 2171194108 ABLZDVYEFADYLB-GFCCVEGCSA-N 277.324 0.385 10 10 CCCE C[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)C[C@@H](C)C1O 688133084 FRXJFIDJOXDYIL-HTQZYQBOSA-N 266.297 0.582 10 10 CCCE CN1CCC(N)(CC(=O)NCc2ccccc2O)CC1 686805413 OBIRNPZDBWIFBI-UHFFFAOYSA-N 277.368 0.822 10 10 CCCE Nc1ccc(CC(=O)N2CC[C@H]3CNC[C@@H]3C2)cc1 377756748 SEGZQYKBBQRTRC-QWHCGFSZSA-N 259.353 0.879 10 10 CCCE C[C@@H](N)c1ccc(N(C)CCN(C)CCO)cc1O 691342317 IZGMYMFKYDUSJI-LLVKDONJSA-N 267.373 0.772 10 10 CCCE C[C@H]1[C@H](O)CCCN1C(=O)c1cc(O)nc(O)c1 384771401 RUAUCSWCZRGSBN-IONNQARKSA-N 252.270 0.478 10 10 CCCE CN(Cc1ccc(N)cc1)CC1CS(=O)(=O)C1 722786641 GQTOMCJFVIPMBA-UHFFFAOYSA-N 254.355 0.745 10 10 CCCE C[C@@H](NCCc1nc(=O)o[nH]1)c1ccc(O)cc1O 392268906 ZTLIFVQCZAOXLX-SSDOTTSWSA-N 265.269 0.667 10 10 CCCE O=C1Nc2cc(N3C[C@@H]4C[C@H](CO)[C@@H]4C3)ccc2[C@H]1O 2174300206 DWNCOMBZUIAYCY-LIMOIJHXSA-N 274.320 0.737 10 10 CCCE C[C@H](NC(=O)[C@@H](N)C(C)(C)O)c1ccccc1O 1342307918 SGPLMEKCNRGVEV-GZMMTYOYSA-N 252.314 0.668 10 10 CCCE Cc1c[nH]c(=NCCc2ccc(N)cc2)c(C(N)=O)n1 2181929986 OBOFCJOADBTLPR-UHFFFAOYSA-N 271.324 0.543 10 10 CCCE CN(Cc1ccc(O)cc1O)C[C@H]1COCCN1 2042368202 MJURHEIZCYYOQV-NSHDSACASA-N 252.314 0.518 10 10 CCCE COC(=O)[C@H](NCCO)c1c(O)cccc1OC 2042578847 GBKLNZFIHDHUNC-LLVKDONJSA-N 255.270 0.197 10 10 CCCE COC1(C(N)=O)CN(c2ccc(CO)cc2C)C1 2042975233 SWWXGXRZYQOOMX-UHFFFAOYSA-N 250.298 0.178 10 10 CCCE COc1ccc(N2CCNC[C@H]2C(=O)O)c(C)c1 2044284652 FWVJKYKIGROCCO-LBPRGKRZSA-N 250.298 0.866 10 10 CCCE C[C@H]1C(=O)NC(=O)CN1c1ccc2c(c1)CCC[C@H]2O 2184688844 IKLJJBJGVGAGJL-TVQRCGJNSA-N 274.320 0.908 10 10 CCCE NCCO[C@H]1CCN(Cc2ccc(O)c(O)c2)C1 2049878450 ONSTYCGWRREZIV-NSHDSACASA-N 252.314 0.647 10 10 CCCE Nc1ccc(OCCC(=O)OC[C@H]2CCNC2=O)cc1 2185184774 WTPNCOBPURWFLM-SNVBAGLBSA-N 278.308 0.717 10 10 CCCE O=C(NC1(C(=O)O)CC1)c1cc(O)c(O)c(O)c1 2068566826 LZRCLSIPJUOXSX-UHFFFAOYSA-N 253.210 0.150 10 10 CCCE C[C@@H](CCN)CNC(=O)c1cc(O)c(O)c(O)c1 2068624032 LYALGHPGQHOZRX-ZETCQYMHSA-N 254.286 0.518 10 10 CCCE CO[C@H]1CC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2068617370 INNFQJFBRURGBQ-XVKPBYJWSA-N 253.254 0.711 10 10 CCCE C[C@@H]1CN(c2cc3c(cc2N)OCC(=O)N3)C[C@@H](C)N1 2191595924 JSUDDLYGFWUCHT-RKDXNWHRSA-N 276.340 0.786 10 10 CCCE Nc1ccc(CCC(=O)N2CC[C@H](CO)[C@@H](N)C2)cc1 2191719352 KTEKFKMKXXMRII-OCCSQVGLSA-N 277.368 0.370 10 10 CCCE C[C@@H](N)c1ccc(N2CC(CS(C)(=O)=O)C2)cc1O 2103211848 XQABURBUOWFAMO-SECBINFHSA-N 284.381 0.893 10 10 CCCE CO[C@H]1C[C@@H](N)CN(C(=O)c2ccc(O)c(O)c2)C1 2109015292 DUPOECGVCTYRSC-ZJUUUORDSA-N 266.297 0.286 10 10 CCCE [N-]=[N+]=N[C@H]1CCCN(C(=O)[C@@H]2Cc3nncn3C2)C1 2111427417 MNPVVNDDMVMGCX-BDAKNGLRSA-N 261.289 0.752 10 10 CCCE CC(C)NC(=O)C1CN(Cc2cc(N)ccc2O)C1 2111748622 IYCNELRNGUGKLG-UHFFFAOYSA-N 263.341 0.931 10 10 CCCE NCc1ccc(N2CC[C@H]3CS(=O)(=O)C[C@H]32)c(F)c1 2094929145 BOAVEYKSBPBTJD-GXFFZTMASA-N 284.356 0.908 10 10 CCCE C[C@H](Nc1c(N)cccc1C(N)=O)[C@@H](C)S(C)(=O)=O 2114190957 XRYJWXLSUNQJPR-JGVFFNPUSA-N 285.369 0.601 10 10 CCCE C[C@H](NC(=O)c1cc(O)nc(O)c1)c1csc(=N)[nH]1 2114351707 QRXFWLXOZNFXJM-YFKPBYRVSA-N 280.309 0.853 10 10 CCCE CN(CC1(F)CC1)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 2206346019 VAUCZPWIFUWZBT-JTQLQIEISA-N 282.315 0.928 10 10 CCCE CS(=O)(=O)[C@@H]1COC[C@H]1NC(=O)Nc1ccc(N)cc1 2207462350 VNNOCLKEVMGKJW-GHMZBOCLSA-N 299.352 0.202 10 10 CCCE Cc1cc([C@H](C)N)ccc1N1CC[C@](O)(C(N)=O)C1 2232092137 OPURIAMWHMHUCL-IINYFYTJSA-N 263.341 0.441 10 10 CCCE COc1cc(C)c(N2C[C@H](O)[C@@H](O)[C@H]2CO)cc1C 2226769180 JZOHESNLRJRHBP-DYEKYZERSA-N 267.325 0.215 10 10 CCCE Cc1cc([C@H](C)N)ccc1N1CC[C@](O)(CO)[C@@H](O)C1 2240757670 HZCHBEXCYILIKX-CQDKDKBSSA-N 280.368 0.309 10 10 CCCE Nc1ccc(CC(=O)N2CCOCC[C@H]2C(=O)O)cc1 2285373368 RNMLUGKGMDYAHG-LBPRGKRZSA-N 278.308 0.513 10 10 CCCE C[C@H](O)c1ccc(N2CC[C@H]2[C@H](O)CO)c([N+](=O)[O-])c1 2286226739 MLUWVGHFDUAWSU-LJUAHTATSA-N 282.296 0.580 10 10 CCCE CSc1cc(N2C[C@@H](O)[C@H](O)C2)ccc1CN 2308064897 AIAWBRRACGNEMB-GHMZBOCLSA-N 254.355 0.409 10 10 CCCE Cc1cc(N2C[C@@H](O)[C@@H](O)[C@@H]2CF)ccc1CO 2311995929 RBWWZVXNCCUVBB-XQQFMLRXSA-N 255.289 0.367 10 10 CCCE Cc1c([C@H](C)O)ccc(N2CC(O)(CO)C2)c1C 2318391257 BTJWNWJKLFIFQL-NSHDSACASA-N 251.326 0.900 10 10 CCCE O=C(N[C@H]1CCC[C@@H](O)[C@H]1O)c1ccc(O)c(O)c1 2333446083 AWMHEMPVQQOCSU-XRNSZHNASA-N 267.281 0.102 10 10 CCCE C[C@@]1(NC(=O)Cc2ccc(N)cc2)CNCC1(F)F 2336373555 PPVUCWKAHJBTCJ-GFCCVEGCSA-N 269.295 0.925 10 10 CCCE COc1cc(N)c(N2C[C@@H](O)[C@@H]3COC[C@@H]32)cc1OC 2354369609 QKLARVJRSMVRKW-JFUSQASVSA-N 280.324 0.482 10 10 CCCE COc1cc(N)c(N2C[C@@H]3C[C@H]2[C@H](O)[C@H]3O)cc1OC 2354474782 RYZRCCFGYRIQIB-MHWWPZMWSA-N 280.324 0.216 10 10 CCCE NC(=O)CCCCCNC(=O)Cc1ccc(N)cc1 108260553 LXEVMTWGTKNTOS-UHFFFAOYSA-N 263.341 0.973 10 10 CCCE CC(=O)C(=O)COC(=O)C[C@@H](NC(N)=O)c1ccccc1 808493203 VSNDOCDMPPZFPD-LLVKDONJSA-N 292.291 0.487 10 10 CCCE CN(CCn1cc(C(=O)O)nn1)c1ccc(CN)cc1 2162688398 FCRUPSFPXQHWMN-UHFFFAOYSA-N 275.312 0.571 10 10 CCCE CCNC(=O)C1CN(c2ccc([N+](=O)[O-])c(CO)c2)C1 2168050867 ZWDREDPDNQUWLT-UHFFFAOYSA-N 279.296 0.659 10 10 CCCE COC(=O)COc1ccc(C(=O)OCC(=O)C(C)=O)cc1 808507763 VRUMSIGPBIKGGJ-UHFFFAOYSA-N 294.259 0.553 10 10 CCCE COCCS(=O)(=O)NCc1c(O)cccc1F 921452393 NQYKNTDOJFNYKO-UHFFFAOYSA-N 263.290 0.597 10 10 CCCE CCOC(=O)C1(c2cc(O)c(O)c(O)c2)CC(N)C1 1952523292 JEMVJGIUCCVROZ-UHFFFAOYSA-N 267.281 0.725 10 10 CCCE Cc1c([C@H](NCCCN=[N+]=[N-])C(N)=O)cnn1C 93651318 MULLFVYAAVOMAM-VIFPVBQESA-N 251.294 0.545 10 10 CCCE CN1C[C@H]2CN(C(=O)c3cccc(O)c3O)C[C@@H]2C1 706210856 YZQCAFVGVKJSIU-UWVGGRQHSA-N 262.309 0.731 10 10 CCCE CCOc1cccc(CN2CCNC[C@H]2C(N)=O)c1O 88659651 UTLBMFUGRVBGNB-NSHDSACASA-N 279.340 0.050 10 10 CCCE NCc1ccc(N2CC(O)(CO)C2)cc1C(F)(F)F 2115305587 JMFKIOHXEPAFBW-UHFFFAOYSA-N 276.258 0.708 10 10 CCCE Nc1ccc(NC(=O)CN2C[C@H]3OCC[C@@H]3C2)cc1 2115408093 UXKGLOGGAQYLKM-ZWNOBZJWSA-N 261.325 0.928 10 10 CCCE C[C@H](COCC(=O)O)NC(=O)Cc1ccc(N)cc1 2117496238 GTGOMUDNULIEKE-SECBINFHSA-N 266.297 0.417 10 10 CCCE NCc1ccc(N2C[C@@H]3NC(=O)O[C@@H]3C2)c(F)c1F 2120410223 NAGDANTYGJWFDT-IONNQARKSA-N 269.251 0.721 10 10 CCCE C[P@]1(=O)C[C@@H](N)[C@H](NC(=O)c2cccc(O)c2O)C1 2121480127 XQRJCGGZQMBWTL-LQJGKPAFSA-N 284.252 0.530 10 10 CCCE [N-]=[N+]=NCCCN[C@@]1(C(N)=O)CO[C@@H](C(F)(F)F)C1 2129078308 AYVKREVUHQLRPZ-HTRCEHHLSA-N 281.238 0.852 10 10 CCCE CN(C(=O)C1=CC[C@H](N)C1)c1ccc(C(=O)O)cn1 2131025364 JRHRWONFURCLBQ-JTQLQIEISA-N 261.281 0.790 10 10 CCCE CC1(C)COCC[C@@]1(NCCCN=[N+]=[N-])C(N)=O 1912179044 QTWRXSJMRCLKAQ-LLVKDONJSA-N 255.322 0.947 10 10 CCCE Nc1ccc(OCCCN2CC(CO)(CO)C2)cc1 1914987076 MMOCTROROCNIHM-UHFFFAOYSA-N 266.341 0.324 10 10 CCCE CC1(C)C(=O)NCCN1C(=O)CCc1ccc(N)cc1 110652301 RZYTYJRUDIHFSD-UHFFFAOYSA-N 275.352 0.938 10 10 CCCE NCC[C@@H]1CN(c2ccc3c(c2)OCO3)CC(=O)N1 216976457 FGRUFJJVSZJVHM-SECBINFHSA-N 263.297 0.069 10 10 CCCE C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(N)=O 1466763304 GHBBCTUSCATCJE-ZCFIWIBFSA-N 263.257 0.453 10 10 CCCE Cc1cn2nc(C(=O)NCc3ccccc3O)cc2c(=O)[nH]1 1545681801 DHCJPYHUKCXVFP-UHFFFAOYSA-N 298.302 0.967 10 10 CCCE O=C(O)[C@@H]1C[C@H](O)CCN1Cc1c(O)cccc1F 2136393878 QZOZBAMEFAONNC-KCJUWKMLSA-N 269.272 0.941 10 10 CCCE COC(=O)/C=C\[C@H](C)NC(=O)Cc1ccc(O)c(O)c1 1637688498 URLUYOGZYRCKDQ-RWIWAZIYSA-N 279.292 0.874 10 10 CCCE C[C@H]1CN(C(=O)Cc2ccc(N)cc2)CC(=O)N1C 1926015781 PIKJGMULSHOKOG-JTQLQIEISA-N 261.325 0.500 10 10 CCCE OCCN1CCN(c2ccc3c(c2)OCCO3)CC1 35577864 PXQQBIRQORDCLZ-UHFFFAOYSA-N 264.325 0.572 10 10 CCCE CN(C)C(=O)CCNC(=O)[C@@H]1CNc2ccccc2N1 229879986 AFICWKZDFKMSRE-LBPRGKRZSA-N 276.340 0.487 10 10 CCCE COC[C@H](O)CCNS(=O)(=O)Cc1ccc(N)cc1 230113399 PPTIIBBKLPZAHM-GFCCVEGCSA-N 288.369 0.086 10 10 CCCE COc1cc(N2C[C@H](C)O[C@@H](CO)C2)ccc1CO 2139683135 RGCLKNRHZAGEHO-GXFFZTMASA-N 267.325 0.774 10 10 CCCE COc1cc(N2CC(=O)N(C)[C@@H](C)C2)ccc1CN 2139700697 MZBWBSMCYWUKCM-JTQLQIEISA-N 263.341 0.821 10 10 CCCE NC(=O)c1ccc(/N=N/N2CCC(C(N)=O)CC2)cc1 1860489042 VNVNUVQXMCMVPD-WUKNDPDISA-N 275.312 0.982 10 10 CCCE Nc1ccc(NC(=O)CN2C(=O)c3cccnc3C2=O)cc1 1866237211 XPMKLDMZXAMUQM-UHFFFAOYSA-N 296.286 0.899 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC[C@@H](C2OCCO2)C1 1942006397 VINCZWVHOCKKAK-MRVPVSSYSA-N 280.280 0.328 10 10 CCCE COc1cc(N)c(N2C[C@H]3CNC[C@@H]3C2)cc1OC 1876307628 SRKJBIULDVNGEQ-NXEZZACHSA-N 263.341 0.942 10 10 CCCE CO[C@H]1CN(c2cc3c(cc2N)OCCO3)C[C@H]1N 1876544825 BSSFYFXWOAVDLP-RNCFNFMXSA-N 265.313 0.202 10 10 CCCE CCOc1ccc(O)c(CNCC(=O)N(C)OC)c1 895040716 FDNRNTRKXLLDHN-UHFFFAOYSA-N 268.313 0.900 10 10 CCCE COCCNC(=O)CCNCc1cccc(O)c1O 135907482 SDKVSCIUAIOGEP-UHFFFAOYSA-N 268.313 0.340 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H]2CNC[C@@H]21 2144029715 WQRYJOGJZCINRE-RYUDHWBXSA-N 276.336 0.851 10 10 CCCE C[C@@H](O)[C@H](CO)NCc1cc(Br)ccc1O 1982032383 ONALDVUNKFGKTI-XCBNKYQSSA-N 290.157 0.986 10 10 CCCE C[C@H](NC(=O)c1cccc(O)c1O)[C@@H]1CCS(=O)(=O)C1 2146116148 HCQDPJQZDSXLTL-DTWKUNHWSA-N 299.348 0.651 10 10 CCCE COC(=O)CC[C@H](N)c1cc(C(=O)O)c(O)cc1O 260302609 NAYNWTIASCHQOY-QMMMGPOBSA-N 269.253 0.749 10 10 CCCE Nc1ccc(CCC(=O)N[C@H]2COC[C@@H]2C(=O)O)cc1 158170128 ZZXYBVZKUABPCI-RYUDHWBXSA-N 278.308 0.417 10 10 CCCE COC[C@]1(O)CCN(c2ccc3c(c2)NC(=O)[C@@H]3N)C1 2151887194 BXONQYYVSFDVMA-OCCSQVGLSA-N 277.324 0.226 10 10 CCCE CN(CCCN)CCCNC(=O)c1ccc(O)c(O)c1 2153291395 DBWPNQDMQRXJPP-UHFFFAOYSA-N 281.356 0.498 10 10 CCCE O=C(NC[C@@H]1C[C@H]2COC[C@@H]2N1)c1cccc(O)c1O 2153857951 WVWXDSRGEJJHGQ-QXEWZRGKSA-N 278.308 0.205 10 10 CCCE O=C(N[C@@H]1COCC[C@H]1C(=O)O)c1cccc(O)c1O 2159036200 PBGIXJVNACLNAR-VXNVDRBHSA-N 281.264 0.317 10 10 CCCE Nc1ccc(CS(=O)(=O)NCCN2C[C@@H]3C[C@H]3C2)cc1 2155818473 LIOHMUQOBZEZGK-STQMWFEESA-N 295.408 0.640 10 10 CCCE CCNC(=O)CCN(CC(N)=O)Cc1ccc(N)cc1 51760180 UZIAVEOEBFKNRG-UHFFFAOYSA-N 278.356 0.082 10 10 CCCE CC1(C)CN(C(=O)c2ccc(O)c(O)c2)[C@@H]1CN 2031688110 DNZJIXQBESHVBF-LLVKDONJSA-N 250.298 0.907 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC[C@H]2NCC[C@@H]2C1 311715563 OOMRZYSLLJSZAE-PSASIEDQSA-N 263.297 0.317 10 10 CCCE COC(C)(C)[C@@H](NC(=O)c1cccc(O)c1O)C(=O)O 2171066279 SDPHWIIRPQQZGA-JTQLQIEISA-N 283.280 0.706 10 10 CCCE Cc1cc(N2CCN3C(=O)NC(=O)[C@H]3C2)ccc1CO 2171305061 MUWJJFOBGFLDKX-GFCCVEGCSA-N 275.308 0.228 10 10 CCCE CN1CCOC[C@H]1CNCc1cc2c(cc1O)OCO2 704181299 SUFUWPQQEHKXFF-LLVKDONJSA-N 280.324 0.541 10 10 CCCE C[C@@H](CO)CN(C)c1ccc2c(c1)N(C)C(=O)[C@@H]2O 688698928 MVORMFNCNRJYEP-NOZJJQNGSA-N 264.325 0.761 10 10 CCCE COc1cc(N)c(N(C)[C@@H](C)C(N)=O)cc1OC 711089671 MUHVSVNPBWSUJO-ZETCQYMHSA-N 253.302 0.596 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1C[C@H]2C[C@@H]2C1 379554889 FNTWRSGKBCWHPK-MXWKQRLJSA-N 262.309 0.446 10 10 CCCE CNCc1ccc(N2CC(=O)N[C@@H](C)C2)c(C#N)c1 387076381 YAHVHBHSRAZIFI-JTQLQIEISA-N 258.325 0.602 10 10 CCCE COc1ccc(N2CC[C@@H](O)[C@@H](CO)C2)c([N+](=O)[O-])c1 396893397 WQYMIYMHWWWZGQ-NOZJJQNGSA-N 282.296 0.783 10 10 CCCE CC(=O)c1ccc(O)c(CN2CCOC[C@@H](O)C2)c1 399879056 FOBQKUIHFGMWGX-ZDUSSCGKSA-N 265.309 0.788 10 10 CCCE CCOc1nc(=N)nc(N(C)Cc2ccc(N)cc2)[nH]1 2173803968 HZWKUEASZHHIES-UHFFFAOYSA-N 274.328 0.901 10 10 CCCE CN(C[C@H]1[C@@H]2COC[C@@H]21)S(=O)(=O)Cc1ccc(N)cc1 2174642326 ZFNDMGFYOVBGLY-ZSOGYDGISA-N 296.392 0.923 10 10 CCCE C[C@H](c1ccccc1O)N(C)C(=O)CN1CC(CN)C1 2169308422 ZOUALSNHERGENX-LLVKDONJSA-N 277.368 0.802 10 10 CCCE CN1C[C@H](N(C)c2ccc3c(c2)NC(=O)[C@H]3O)CC1=O 2188480448 POMPMQPXJUIJQN-RNCFNFMXSA-N 275.308 0.339 10 10 CCCE NCc1ccnc(NC(=O)c2cc(O)c(O)c(O)c2)c1 2188910195 SKFHZDGIDXGTJN-UHFFFAOYSA-N 275.264 0.909 10 10 CCCE C[C@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)C[C@@H](C)[C@@H]1N 2188916385 PAKZZMJXMGVBRN-JDICNCQASA-N 280.324 0.859 10 10 CCCE O=C(CN1C[C@H]2[C@H](O)C[C@H]2C1)c1ccc(O)c(O)c1 2095045020 XBRXYYRMTHENHG-HOSYDEDBSA-N 263.293 0.593 10 10 CCCE CCCN1C[C@H](O)[C@H](N2CCc3cc(CN)ccc32)C1 2189919050 XYTRDPJKNJUVCY-CVEARBPZSA-N 275.396 0.963 10 10 CCCE C[C@@H](O)c1ccc(N2C[C@@H](O)C[C@@H](O)C2)c(F)c1 2043184294 JSWBQSMMYWLEPJ-IEBDPFPHSA-N 255.289 0.811 10 10 CCCE O=C(NC[C@]12CCOC[C@@H]1C2)c1cc(O)c(O)c(O)c1 2194423039 IUSMTHHDVULHMX-LKFCYVNXSA-N 279.292 0.960 10 10 CCCE CN[C@H](C)[C@H]1CCN1C(=O)c1ccc(O)c(O)c1 2045177532 ZYBGNGIICCJJGI-PSASIEDQSA-N 250.298 0.920 10 10 CCCE NC1(C(=O)C(=O)C[C@H]2C[C@H](N)C2)CC2(CCC2)C1 2049784927 SOKNIOMOVDLIEB-MGCOHNPYSA-N 250.342 0.914 10 10 CCCE OCc1ccc(N2CC[C@H](C(CO)CO)C2)cc1 2051112243 DIFDHFOTCNOGJM-LBPRGKRZSA-N 251.326 0.606 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CC[C@H](O)C1 2057723879 RMCZXQDBZXLISQ-ZJUUUORDSA-N 251.282 0.670 10 10 CCCE COc1ccc(N2CC[C@@H](S(C)(=O)=O)C2)c(N)c1 2059363137 UVBPPNVTIPXRBG-SNVBAGLBSA-N 270.354 0.901 10 10 CCCE CN1CCO[C@@H](C(=O)N2CCC(N=[N+]=[N-])CC2)C1 2067584848 ZENCVUZYOHFDEB-SNVBAGLBSA-N 253.306 0.618 10 10 CCCE Nc1ccc(NC(=O)N=[S@]2(=O)CC[C@H](N)C2)cc1 2071557659 AMQQNJOKNOLLJL-YYSFKGJASA-N 268.342 1.000 10 10 CCCE COc1ccc(N2C[C@H](OC)C[C@@H]2CN)c(N)c1 2071637746 YERBVAGIDREXNT-MWLCHTKSSA-N 251.330 0.830 10 10 CCCE CCNCc1ccc(N2C[C@@H](O)C[C@H](O)C2)c(F)c1 2105071550 ACYLOQBEJVDWFJ-RYUDHWBXSA-N 268.332 0.867 10 10 CCCE O=C(NCCC(F)(F)C(=O)O)c1ccc(O)c(O)c1 2106642438 HGKOSIWLTAHWMU-UHFFFAOYSA-N 275.207 0.938 10 10 CCCE C[C@H]1OCCO[C@@H]1CNC(=O)c1cccc(O)c1O 2087417417 XECLJYLBFAGDQN-LDYMZIIASA-N 267.281 0.632 10 10 CCCE COC[C@H](O)CN(C)C(=O)Cc1ccc(O)c(O)c1 2087726599 IZQJPTVRJPEKME-SNVBAGLBSA-N 269.297 0.106 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N3CC=C[C@H](O)C3)ccc21 2108779976 NTEOQMIRFFDACY-GXFFZTMASA-N 259.309 0.636 10 10 CCCE C[C@H](O)c1ccc(N2C[C@H](O)[C@@H](N(C)C)C2)c(F)c1 2089923938 RTSVPFZWFSSNKQ-HERUPUMHSA-N 268.332 0.990 10 10 CCCE N[C@@H]1COC[C@@H]1CCNC(=O)c1cccc(O)c1O 2111328353 LXUKBLINWRFQOI-WCBMZHEXSA-N 266.297 0.191 10 10 CCCE O=S1(=O)CCC[C@@H](NCCc2ccc(O)c(O)c2)C1 2091756362 RMYRDEPSGAGKCL-LLVKDONJSA-N 285.365 0.807 10 10 CCCE C[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)[C@@H]1C(=O)O 2099503012 RJYNWMXCEPBFJC-KRTXAFLBSA-N 265.265 0.572 10 10 CCCE NC(=O)[C@H]1CCCCN1CCOc1ccc(N)cc1 42403773 WEHVGCGPXXYPHX-CYBMUJFWSA-N 263.341 0.987 10 10 CCCE CC(C)S(=O)(=O)C[C@@](C)(O)[C@H](N)c1ccccc1O 2114133158 GAAWJRHPROUWID-CHWSQXEVSA-N 287.381 0.966 10 10 CCCE COc1ccc(N(C)[C@@H](C)CC(N)=O)c(CO)c1 2220426614 FZGLMDSKCWAWJP-VIFPVBQESA-N 252.314 0.888 10 10 CCCE Cc1cc([C@H](C)O)ccc1N1CCC1(CO)CO 2223972903 JIZAIZLYSJRDQF-NSHDSACASA-N 251.326 0.982 10 10 CCCE Cc1cc([C@H](C)O)ccc1N1C[C@H](O)C[C@@H](O)C1 2223970813 FEYJKIVTGKLISD-CYZMBNFOSA-N 251.326 0.980 10 10 CCCE N[C@H]1C[C@H]2C[C@H]1CN(C(=O)Cc1ccc(O)c(O)c1)C2 2234879465 VRZPATYJYUJKJL-WOPDTQHZSA-N 276.336 0.836 10 10 CCCE OC[C@]1(O)CCN(c2ccc3c(c2)CCCC3)C[C@H]1O 2235102339 XCBIQPXITUNJGR-HZPDHXFCSA-N 277.364 0.860 10 10 CCCE COc1cc(N2C[C@H](O)C[C@@H](O)C2)cc(OC)c1OC 2235135000 QDSRGWFZRHBGEM-GHMZBOCLSA-N 283.324 0.644 10 10 CCCE CN(CCN=[N+]=[N-])C(=O)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)O 2225794500 GJDXDLPQVBADPB-HXFLIBJXSA-N 268.273 0.633 10 10 CCCE COc1ccc(N2C[C@H]3COC[C@]3(CO)C2)c(CN)c1 2235964600 UCZIVPHAANKLDY-SWLSCSKDSA-N 278.352 0.599 10 10 CCCE COc1ccc(N2CCOC[C@H]2[C@H](O)CO)cc1C 2226858603 NSWSFMWKJPQXBL-QWHCGFSZSA-N 267.325 0.562 10 10 CCCE NCc1ccc(N2CCN3C(=O)COC[C@@H]3C2)c(F)c1 2236933156 DARLZFIZBFARMT-NSHDSACASA-N 279.315 0.332 10 10 CCCE OCc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]2C[C@H]3[C@@H](O)[C@@H]2O)cc1 2237059441 QKIJKDXJBOYBGE-ZTYXSZCMSA-N 275.348 0.603 10 10 CCCE CC(C)[C@](N)(COc1ccc(N(C)C)cc1)C(N)=O 2229372065 DIRQNHBHWUTPIP-CQSZACIVSA-N 265.357 0.970 10 10 CCCE COc1ccc(N(C)[C@@H]2CS(=O)(=O)C[C@H]2O)cc1 2253403794 OONCYPXCVZVZMC-VXGBXAGGSA-N 271.338 0.289 10 10 CCCE CS(=O)(=O)[C@@H](C(=O)N1CC[C@H](N=[N+]=[N-])C1)C1CC1 2314353108 KESDZJJJOATCRK-DTWKUNHWSA-N 272.330 0.721 10 10 CCCE CN(NCc1cccc(F)c1O)S(=O)(=O)C1CC1 2317488070 QZFRKMGWOUEVSO-UHFFFAOYSA-N 274.317 0.960 10 10 CCCE Cc1c([C@@H](C)N)ccc(N2C[C@H](O)[C@H](O)C2)c1C 2318393100 YKYXBOAYXPQZBY-HONMWMINSA-N 250.342 0.865 10 10 CCCE [N-]=[N+]=NCCCN[C@]1(C(N)=O)C[C@H]2[C@@H]3CC[C@@H](O3)[C@H]21 2331787772 WHGIZCCXIKLRNP-GOVZDWNOSA-N 265.317 0.698 10 10 CCCE N[C@H]1CC[C@H]1S(=O)(=O)Nc1ccc(O)cc1[N+](=O)[O-] 2338262462 OOJKHTWESAHKPV-OIBJUYFYSA-N 287.297 0.532 10 10 CCCE CO[C@H]1C[C@@H](CO)N(CCc2ccc(N)cc2)C1 310839095 KGEQZCASHCHLKL-KBPBESRZSA-N 250.342 0.893 10 10 CCCE NC(=O)[C@@H]1CCCN1CCCC(=O)Nc1ccc(N)cc1 20294298 SPJYVYGFXMZUQX-ZDUSSCGKSA-N 290.367 0.937 10 10 CCCE NC(=O)[C@@H]1CCCN(CCC(=O)Nc2ccc(N)cc2)C1 22166886 XPDCTMFYOLIGEW-LLVKDONJSA-N 290.367 0.795 10 10 CCCE Nc1ccc(NC(=O)N2CC[C@@H]3C[C@H]2[C@H](O)[C@H]3O)cc1 2357595104 OSFZWUDDMFTQBK-YJRXYDGGSA-N 277.324 0.617 10 10 CCCE O=C1NCCN[C@H]1c1ccc(N2CCOCC2)cc1 1951908924 GZLNGNPWYUQKHJ-ZDUSSCGKSA-N 261.325 0.284 10 10 CCCE CNC[C@@H]1CCCN1C(=O)c1cccc(O)c1O 126723606 NCARENIWLJEVLP-VIFPVBQESA-N 250.298 0.922 10 10 CCCE CCN(CC(N)=O)Cc1cc([N+](=O)[O-])ccc1O 191708630 PHWVUUYLXVQLNA-UHFFFAOYSA-N 253.258 0.608 10 10 CCCE Oc1cc2c(cc1CNC[C@H](O)C(F)F)OCO2 226576314 SWNQNKCZCJBKSU-QMMMGPOBSA-N 261.224 0.837 10 10 CCCE N[C@@H](c1cc(Br)cc(F)c1O)[C@@H](O)C(=O)O 1952133991 BIRLHCRVPNJPDY-POYBYMJQSA-N 294.076 0.739 10 10 CCCE COC[C@@H](CCO)NC(=O)Cc1ccc(N)cc1 228100070 OAUSXESXQLHKAV-GFCCVEGCSA-N 252.314 0.325 10 10 CCCE NCc1cc(F)c(N2CC[C@@H](C(N)=O)C2)c(F)c1 236207623 PAMQQPWHZKXFSY-MRVPVSSYSA-N 255.268 0.735 10 10 CCCE COc1ccc(N2CCC[C@@H](C(=O)NCCN)C2)cc1 2162644270 RZTMIGUSSFKBQH-GFCCVEGCSA-N 277.368 0.987 10 10 CCCE CCN1CCc2cc([C@@H](N)C3(O)CS(=O)(=O)C3)ccc21 2163124339 VNVBHERWTMDRTF-CYBMUJFWSA-N 296.392 0.228 10 10 CCCE CCn1ncc(C(=O)NCc2ccc(OC)cc2O)n1 816550997 KYKGKCXINYTOLV-UHFFFAOYSA-N 276.296 0.942 10 10 CCCE C[C@]1(CO)C[C@@H](O)CN1CC(=O)Nc1ccc(N)cc1 698157766 LGZKCZQDGQZCTP-TZMCWYRMSA-N 279.340 0.025 10 10 CCCE CC1(C)OC[C@@H]2C[C@@]21NC(=O)C(=O)Nc1ccc(N)cc1 861512194 CLZHXTQXGQHRMB-BJOHPYRUSA-N 289.335 0.891 10 10 CCCE C[C@H]1Oc2ccc(N(C)CC(=O)O)cc2NC1=O 77430308 VECCMVHELSNJOU-SSDOTTSWSA-N 250.254 0.927 10 10 CCCE CCCCNC(=O)[C@@H](N)c1ccc(O)c(O)c1O 83398443 ASSUBRQAFPESOF-VIFPVBQESA-N 254.286 0.720 10 10 CCCE CC(C)(CO)NCc1cc(O)c(O)c([N+](=O)[O-])c1 83414058 OCUNIBKRGMNFTK-UHFFFAOYSA-N 256.258 0.867 10 10 CCCE CS(=O)(=O)N[C@H]1CCN(CCOc2ccc(N)cc2)C1 705790031 VVRRCQJBUWOBPZ-LBPRGKRZSA-N 299.396 0.271 10 10 CCCE CS(=O)(=O)N1CCC[C@@H](C(=O)NCCN=[N+]=[N-])C1 706394267 YWSLPXLQCBTHIA-MRVPVSSYSA-N 275.334 0.085 10 10 CCCE CCCOc1cc(N2CC(O)(C(=O)OC)C2)ccc1N 714463550 FOHVTWYCKFPTJP-UHFFFAOYSA-N 280.324 0.782 10 10 CCCE Cc1nnc(CNCc2ccc(O)c(O)c2O)o1 718896315 UDPACDZWBGTMGJ-UHFFFAOYSA-N 251.242 0.785 10 10 CCCE CCc1nc(C(=O)NCCOc2ccc(N)cc2)n[nH]1 95045754 SWBSGSGWTKBPSX-UHFFFAOYSA-N 275.312 0.758 10 10 CCCE Nc1ccc(OCC(=O)N2C[C@H]3C[C@@H](O)[C@H]2C3)cc1 2120661872 XZBYRKQJYXZTNQ-OASPWFOLSA-N 262.309 0.629 10 10 CCCE O=C(NCc1cccc(Cl)c1O)c1nnc(O)nc1O 1180410888 VBDDTQRVFMLJPL-UHFFFAOYSA-N 296.670 0.572 10 10 CCCE OC[C@@H](O)[C@@H]1CCCN1c1ccc2c(c1)CC[C@@H]2O 2128317387 DQDDTXCJXOBLAT-SOUVJXGZSA-N 263.337 0.988 10 10 CCCE CCO[C@@H]1CNCC[C@]1(NCCN=[N+]=[N-])C(=O)O 1912211432 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O=C(NCc1c(O)cccc1O)[C@@]1(F)CCOC1 1645363389 SXGXOPPJVHAZNL-GFCCVEGCSA-N 255.245 0.843 10 10 CCCE COc1cc(N2CCC(=O)N(C)CC2)ccc1CO 2139700169 GLTHCOISZRANLE-UHFFFAOYSA-N 264.325 0.856 10 10 CCCE Oc1ccc(CN[C@@H]2COC3(CCC3)[C@@H]2O)cc1O 2141555560 KBWODQTWDYLXJJ-ZWNOBZJWSA-N 265.309 0.870 10 10 CCCE N[C@H]1C[C@H]2CC[C@H]1CN2C(=O)c1cc(O)nc(O)c1 1876016496 BQEXZITVYNKFLX-SFGNSQDASA-N 263.297 0.445 10 10 CCCE Nc1ccc(CCC(=O)N=[S@]2(=O)CC[C@H](N)C2)cc1 1876446733 MMRBVTZISYXTOF-BUXKBTBVSA-N 281.381 0.927 10 10 CCCE Nc1ccc(CCC(=O)NC[C@H]2CCCNC2=O)cc1 2144034623 VDQDFWVBVJIPFG-GFCCVEGCSA-N 275.352 0.844 10 10 CCCE C[C@H](CN(C)C(=O)Cc1ccc(O)c(O)c1)C(=O)O 1970512342 LAXIYFYMMXGIQZ-MRVPVSSYSA-N 267.281 0.819 10 10 CCCE N[C@@H](c1ccccc1O)[C@H](O)c1cnc2n1CCOC2 2148158364 ZILIGQUADQGPKS-UONOGXRCSA-N 275.308 0.852 10 10 CCCE C[C@H]1CO[C@H](CO)CN1CC(=O)c1ccc(O)c(O)c1 167275866 RUESUTROWFHCFU-ONGXEEELSA-N 281.308 0.362 10 10 CCCE CCNC(=O)CN1CCN(c2ccc(OC)cc2)CC1 34685221 DEUJNYPZODRWGS-UHFFFAOYSA-N 277.368 0.953 10 10 CCCE CC(=O)c1ccc(O)c(CN2C[C@H](N(C)C)[C@H](O)C2)c1 2146136795 FXXXKGBWZMZMRA-DZGCQCFKSA-N 278.352 0.702 10 10 CCCE C[C@@H]1CCN(c2ccc3c(c2)NC(=O)[C@@H]3N)[C@H]1C(N)=O 2146447941 SLZILSONCBLGNX-NZXMKCKXSA-N 274.324 0.339 10 10 CCCE COc1cc(N)c(N2CC[C@@H](C)[C@H]2C(N)=O)cc1OC 2146452333 MYTAIPWXOYELDG-OQPBUACISA-N 279.340 0.986 10 10 CCCE O=c1c2c(ccn1C[C@@H]1OC[C@H]3CCO[C@@H]13)CCNC2 2150796109 UDFCUNNHGXEOHB-KWCYVHTRSA-N 276.336 0.298 10 10 CCCE CN(C)c1ccc(CNS(=O)(=O)C2CC(CN)C2)cc1 2160468143 PUBOWBYRCWVEBY-UHFFFAOYSA-N 297.424 0.909 10 10 CCCE C[C@H]1NCC[C@H]1NC(=O)Cc1ccc(O)c(O)c1 2027481011 LXGQZZBPWOUHFM-PSASIEDQSA-N 250.298 0.507 10 10 CCCE CON(CCC(=O)O)C(=O)c1cccc(O)c1O 2040583443 OLFCTDWBTVZKJX-UHFFFAOYSA-N 255.226 0.576 10 10 CCCE NCc1nocc1C(=O)Nc1ccc(O)cc1C(=O)O 407435668 RLKURPSCYJXFML-UHFFFAOYSA-N 277.236 0.789 10 10 CCCE Nc1ccc(OC[C@@H](O)CN2CCC[C@@H]2CCO)cc1 312757875 CBVCWUFVPKWRQE-KGLIPLIRSA-N 280.368 0.855 10 10 CCCE C[C@@H](c1c(O)cccc1O)N1CC[C@@H](NC(N)=O)C1 700699278 XTGDYOVPTDDTOW-DTWKUNHWSA-N 265.313 0.901 10 10 CCCE CNC(=O)CN1CCN(c2ccc(CO)cc2Cl)CC1 700791760 VYLUWKJIZCHXLY-UHFFFAOYSA-N 297.786 0.700 10 10 CCCE CN1CCO[C@@H](COC(=O)COc2ccc(N)cc2)C1 92060884 QKTXDCCYESEWPZ-CYBMUJFWSA-N 280.324 0.521 10 10 CCCE CCNC(=O)[C@@H]1CNCCN1c1ccc(OC)cc1F 2162647577 RBSWKNZUDFWCIQ-ZDUSSCGKSA-N 281.331 0.749 10 10 CCCE C[C@H]1CN(CC(=O)c2ccc(O)c(O)c2)C[C@@H]1CO 708196048 FCQHFKZKXXLPMR-GXSJLCMTSA-N 265.309 0.841 10 10 CCCE CNCc1ccc(N2C[C@@H](O)C[C@@H]2CO)cc1Cl 698173361 DSRFWUWYALKTSY-NEPJUHHUSA-N 270.760 0.991 10 10 CCCE O=[N+]([O-])c1cc2c(cc1N1CC(F)(CO)C1)OCCO2 2172915960 NNKHREQHNHCMDZ-UHFFFAOYSA-N 284.243 0.887 10 10 CCCE CNC(=O)C1CN(c2ccc(CN)c(F)c2F)C1 381975055 VIZOVXKCLOPKDD-UHFFFAOYSA-N 255.268 0.606 10 10 CCCE Cc1cc(O)n2ncc(C(=O)N[C@H]3CCC[C@]3(C)O)c2n1 2063357830 IZOVFWUFABVWKZ-HZMBPMFUSA-N 290.323 0.777 10 10 CCCE CN1CCN(c2cc3c(cc2F)[C@H](O)C(=O)N3)[C@H]2C[C@@H]21 2168392556 KENOEMCUGYOTOV-AVGNSLFASA-N 277.299 0.704 10 10 CCCE CCN(C)C(=O)OCCNC(=O)c1cccc(O)c1O 2179222735 PJFPUSRLWAYFPL-UHFFFAOYSA-N 282.296 0.916 10 10 CCCE COCCN(C)C[C@@H](O)COCCc1ccc(N)cc1 2176290875 SJHRUWHKNBRDHP-OAHLLOKOSA-N 282.384 0.767 10 10 CCCE CN1CC[C@H](NCc2cc3c(cc2O)OCO3)CC1=O 2188495888 ZJDRFMCOPPNXDW-JTQLQIEISA-N 278.308 0.831 10 10 CCCE Cc1cccc(N)c1N[C@@H]1CS(=O)(=O)C[C@H]1O 1907817160 SHLIOKXOHIYFRP-NXEZZACHSA-N 256.327 0.147 10 10 CCCE O=C1NC(=O)[C@H]2CN(c3ccc4c(c3)CC[C@@H]4O)C[C@@H]12 2184733380 HBZFPOMHBRRNKM-XQQFMLRXSA-N 272.304 0.375 10 10 CCCE CC1(C)[C@@H](O)C[C@]1(CO)NCc1ccc(O)c(O)c1O 2193972124 YPGJGEPUNNNQPG-IINYFYTJSA-N 283.324 0.415 10 10 CCCE O=S(=O)(O)CCCNCc1ccc2c(c1)CCO2 2042400901 CODANUXYYWUSRK-UHFFFAOYSA-N 271.338 0.989 10 10 CCCE O=C(O)[C@@H]1CNCCN1Cc1c(O)cccc1F 2042633461 VOAHOPNGLSJJAI-JTQLQIEISA-N 254.261 0.390 10 10 CCCE COc1ccc(N2C[C@H](N)[C@H]3COC[C@H]32)cc1F 2044306073 YZTMSUADTPLJQN-ADEWGFFLSA-N 252.289 0.997 10 10 CCCE CN[C@@H](C)[C@H]1CCN1C(=O)c1cc(O)nc(O)c1 2045171141 RATVBBXFCFHNSP-IONNQARKSA-N 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290.319 0.848 10 10 CCCE O=C(C[C@H]1CCNC1=O)NCc1ccc(O)c(O)c1 901133415 YDJNJNGQYHKVRM-SECBINFHSA-N 264.281 0.240 10 10 CCCE CNS(=O)(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 849416513 RLHVIBKHMVOVDK-SNVBAGLBSA-N 285.369 0.328 10 10 CCCE C[C@@]1(c2c(O)cccc2[N+](=O)[O-])COCC(=O)N1 1952517963 PIHKGPQIRGHFLF-NSHDSACASA-N 252.226 0.662 10 10 CCCE CCOC(=O)[C@H]1C[C@@]1(N)c1cc(O)c(O)c(O)c1 1952776261 TXJBGOCXCBXPQA-JMCQJSRRSA-N 253.254 0.540 10 10 CCCE C[C@@H]1C[C@H](O)CN1C(=O)Cc1ccc(O)c(O)c1 1953104073 WOJKTGFNFMXSBJ-SCZZXKLOSA-N 251.282 0.622 10 10 CCCE CN(C)c1ccc(/C=C/C(=O)N[C@H]2CCNC2=O)cc1 699036529 PPQZUOVLCWVVQT-LJLILKBBSA-N 273.336 0.771 10 10 CCCE C[C@H](NC(=O)C1CS(=O)(=O)C1)c1ccc(N(C)C)cc1 867503934 QPOABXUVQUFVRJ-JTQLQIEISA-N 296.392 0.974 10 10 CCCE CN(CCN)c1cc2c(cc1[N+](=O)[O-])NC(=O)CC2 54419536 CFJVDMVYBLYCLI-UHFFFAOYSA-N 264.285 0.874 10 10 CCCE COc1ccc2c(c1O)[C@H](CNCC(=O)O)NCC2 83708328 AQYXDYURBGMSTO-VIFPVBQESA-N 266.297 0.262 10 10 CCCE CNCc1ccc(N2CCN(C)[C@H](CO)C2)c(F)c1 687612125 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WZPUIUKQDNOTQT-BZHVJNSISA-N 261.325 0.846 10 10 CCCE Nc1ccc(CC(=O)NC[C@@H]2C[C@@H]3OCC[C@@H]3O2)cc1 1974127967 MHMPWGOTJFGXLM-IHRRRGAJSA-N 276.336 0.874 10 10 CCCE Nc1ccc(OCC(=O)N2C[C@H](C3CC3)[C@@H](O)C2)cc1 2146833144 MSRNYVQNWSVMSE-KGLIPLIRSA-N 276.336 0.877 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N(C)CC(F)(F)CO)ccc21 2150988918 DQKJRHZUBMLXLW-NSHDSACASA-N 285.294 0.963 10 10 CCCE O=C(NC[C@@H]1C[C@@H]2COC[C@@H]2N1)c1ccc(O)c(O)c1 2153854397 NVLSSWZZWCDYEM-VWYCJHECSA-N 278.308 0.205 10 10 CCCE Cc1cccc(CNS(=O)(=O)CCCO)c1O 2024812483 POMSSXZJEHMQCJ-UHFFFAOYSA-N 259.327 0.502 10 10 CCCE CN[C@H]1C[C@@H](C)N(C(=O)c2ccc(O)c(O)c2)C1 2028481400 NQQPSUNZMUIRMU-SCZZXKLOSA-N 250.298 0.920 10 10 CCCE Nc1ccc(NC(=O)CN2C[C@H](F)[C@H](O)C2)cc1 2031873176 UJUAVGDJHLFXCX-WDEREUQCSA-N 253.277 0.222 10 10 CCCE CC1(C)CN(c2ccc(CN)cc2F)CC(=O)N1 2033064755 QQFDVUFGCGNVHL-UHFFFAOYSA-N 251.305 0.999 10 10 CCCE COC[C@@](C)(CC(=O)O)NC(=O)Cc1ccc(N)cc1 2157968504 ZIMXIBLYHRFHAW-CQSZACIVSA-N 280.324 0.807 10 10 CCCE COCCNS(=O)(=O)N1CCC[C@@H](N=[N+]=[N-])C1 403681698 UXRKBIIFPSGENM-MRVPVSSYSA-N 263.323 0.242 10 10 CCCE CC[C@@](C)(NS(=O)(=O)Cc1ccc(N)cc1)C(N)=O 311804370 HMWXKEWRROTPQE-GFCCVEGCSA-N 285.369 0.342 10 10 CCCE CC(=O)c1cc(F)cc(CN2CC[C@@](O)(CO)C2)c1O 313689018 WGOWOTAVPHROFR-AWEZNQCLSA-N 283.299 0.663 10 10 CCCE Cc1cccc(O)c1CNCCC[C@@H]1NC(=O)NC1=O 2160792678 HETFXBIOLBUXHL-NSHDSACASA-N 277.324 0.778 10 10 CCCE C[C@@H](C(=O)Nc1ccc(N)cc1)N1C[C@@H](O)C[C@@H](O)C1 2161397495 SEVMXTKHWRBQGW-TVYUQYBPSA-N 279.340 0.023 10 10 CCCE CN(C)C[C@H]1CN(CCN=[N+]=[N-])C[C@H]1CN(C)C 705965857 FUPUCLMVSFJLLK-TXEJJXNPSA-N 254.382 0.968 10 10 CCCE CCCS(=O)(=O)N[C@@H](C)C(=O)NCc1ccc(N)cc1 706008139 KSINNFPUADYPBX-JTQLQIEISA-N 299.396 0.603 10 10 CCCE CN(c1c(F)cc(CN)cc1F)[C@@H]1COC[C@@H]1O 709420081 HEMNZJNZAZSDBQ-MNOVXSKESA-N 258.268 0.619 10 10 CCCE COc1ccc(N2CCNC[C@@H]2C(=O)N(C)C)cc1F 2162656101 QLFWZYRYSIHPAB-GFCCVEGCSA-N 281.331 0.701 10 10 CCCE COC[C@](C)(CO)N(C)C(=O)c1ccc(O)c(O)c1 708379270 BHVQFRCQCLTJJC-ZDUSSCGKSA-N 269.297 0.567 10 10 CCCE COc1ccc(O)c([C@H](C)NC2CS(=O)(=O)C2)c1 379892059 GFSBWZMBNSTYTO-QMMMGPOBSA-N 271.338 0.848 10 10 CCCE CCN[C@@H]1CCOC[C@@H]1NC(=O)c1cccc(O)c1O 717162336 JZHFQURBDMIELQ-MNOVXSKESA-N 280.324 0.595 10 10 CCCE C[C@@H](N)c1ccc(N2CC[C@H](O)[C@@H](CO)C2)cc1 396980606 RZNLNMVPFUWKSN-QKCSRTOESA-N 250.342 0.886 10 10 CCCE CC(C)NC(=O)C1CN(C(=O)c2ccc(O)c(O)c2)C1 2168043946 JCNGAFKGXDYFNL-UHFFFAOYSA-N 278.308 0.694 10 10 CCCE N[C@@H]1CC[C@H](C(=O)O)N(c2ccc3c(c2)OCCO3)C1 2188789267 WCDCOECEKNDTJS-MWLCHTKSSA-N 278.308 0.839 10 10 CCCE C[C@@H](O)[C@@H]1CCCN1c1cc2c(cc1N)OCC(=O)N2 2193585946 HNYOXFXUJAWHIM-KCJUWKMLSA-N 277.324 0.949 10 10 CCCE C[C@H](O)c1ccc(N2CCNC(=O)[C@H]2C(N)=O)cc1Cl 2184133823 XJQSWBLBESDMQZ-WRWORJQWSA-N 297.742 0.183 10 10 CCCE Nc1cc2c(cc1N1CCCC13CNC3)NC(=O)CO2 2191563274 SQXMZUDRBXKTBT-UHFFFAOYSA-N 274.324 0.542 10 10 CCCE NC[C@]1(F)C[C@H](CNC(=O)COc2ccc(N)cc2)C1 2191663565 KFEUNASZJCWWKT-YPFXGUDJSA-N 281.331 0.841 10 10 CCCE Cc1cc(NS(=O)(=O)c2c(C)n(C)[nH]c2=N)ccc1O 2191711238 ZUOGLWAQOFYAMO-UHFFFAOYSA-N 296.352 0.956 10 10 CCCE Nc1ccc(OCC(=O)NC2([C@@H]3CCNC3)CC2)cc1 2191762297 RXUAMBMNMFLSTJ-LLVKDONJSA-N 275.352 0.906 10 10 CCCE C[C@H](c1ccc(O)cc1O)N1C[C@@H](O)C[C@H]1CN 2067390434 UOJKHRAIADGWHT-YWVKMMECSA-N 252.314 0.553 10 10 CCCE NCc1cc(F)c(N2CC[C@H]3C[C@H]2[C@H](O)[C@H]3O)c(F)c1 2199532685 QXHRMLNBNQWKOF-LDZXTUBUSA-N 284.306 0.744 10 10 CCCE NC1CCC(CNC(=O)c2cc(O)nc(O)c2)CC1 2100265361 YZHZLGKXBBAIRC-UHFFFAOYSA-N 265.313 0.740 10 10 CCCE O=C(NC[C@H]1C[C@@H](CO)CO1)c1ccc(O)c(O)c1 2101331878 OBLQLSIGRBDXIX-WCBMZHEXSA-N 267.281 0.225 10 10 CCCE Cc1cc(N2CC[C@H](N3CC(O)C3)C2)ccc1CO 2102519305 FKZJQLQFSJEWHT-AWEZNQCLSA-N 262.353 0.743 10 10 CCCE NCc1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CF)c(Cl)c1 2084798627 PFXFDIXJBHXIOW-SRVKXCTJSA-N 274.723 0.679 10 10 CCCE CN(C)c1ccc(CN[C@H](C(=O)O)C2COC2)cc1 2104901103 UKRWMXRSZJXRND-ZDUSSCGKSA-N 264.325 0.942 10 10 CCCE NCCC(CCN)NC(=O)Nc1ccc(N)cc1 2084897469 KKFSGESFNBRUCQ-UHFFFAOYSA-N 251.334 0.457 10 10 CCCE C[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1nn[nH]n1 2087729549 OSGBBWLNZCTOCD-LURJTMIESA-N 263.257 0.031 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1C[C@H](CO)C2(CC2)C1 2087798065 OMDUOILDYKIWJB-SECBINFHSA-N 264.281 0.337 10 10 CCCE CCN[C@H]1C[C@H](C)N(C(=O)c2cc(O)nc(O)c2)C1 2088875380 SMGZWZLCZWOFDG-WPRPVWTQSA-N 265.313 0.705 10 10 CCCE CCN1CC[C@@H](C(=O)Cc2ccc(N)cc2)S1(=O)=O 2089436875 ZFCDJYATRBFAPM-ZDUSSCGKSA-N 282.365 0.804 10 10 CCCE CC[C@@H](CS(C)(=O)=O)NC(=O)c1ccc(O)c(O)c1 2090094926 QGAHRFCNHUULBN-VIFPVBQESA-N 287.337 0.651 10 10 CCCE Nc1ccc(CCC(=O)N[C@H]2COC[C@@H]2CO)cc1 2090321132 JKOPPQRBQKSQTN-AAEUAGOBSA-N 264.325 0.325 10 10 CCCE Nc1ccc(CCCN2CCC(CO)(CO)C2)cc1 2090606157 BUGMUYLPIHHXAK-UHFFFAOYSA-N 264.369 0.878 10 10 CCCE CN(CC(=O)N1CCCC1=O)Cc1ccc(N)cc1 2092478156 LHYRCAYVYCKTRH-UHFFFAOYSA-N 261.325 0.850 10 10 CCCE Cc1cc(N2CCN(C[C@H](C)O)CC2)ccc1CN 2113859146 OYBYCXBLHJDOSJ-ZDUSSCGKSA-N 263.385 0.957 10 10 CCCE COc1cccc(CN2CC[C@@H](O)C[C@@H]2C(=O)O)c1O 2201080979 BTSXBCDDDYFTFO-GHMZBOCLSA-N 281.308 0.811 10 10 CCCE NNc1ncnc(NCCc2ccc(O)c(O)c2)c1F 2202318691 INMZKQXLDULKQO-UHFFFAOYSA-N 279.275 0.967 10 10 CCCE C[C@H](N)CS(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1 2220608389 QUKVEPYSGQUFSW-LURJTMIESA-N 275.286 0.389 10 10 CCCE C[C@]1(O)C[C@@H]2[C@@H]1CCN2c1ccc2c(c1)NC(=O)[C@H]2N 2233784665 ZZNKXZIFCJZQCG-QJZXMWHDSA-N 273.336 0.988 10 10 CCCE Cc1cc([C@H](C)N)ccc1N1C[C@H](O)C[C@H]1CO 2223933669 SEDKSRJNMYVMCA-WCFLWFBJSA-N 250.342 0.947 10 10 CCCE COc1ccc(N2CCN(C[C@@H](O)CO)CC2)c(F)c1 2235106721 SWGSDOXHYHSFAW-LLVKDONJSA-N 284.331 0.310 10 10 CCCE C[C@H](c1c(O)cccc1O)N1C[C@@H]2CN[C@H](CO)[C@H]2C1 2235567614 KKWAFNRBIUHDCD-NOOOWODRSA-N 278.352 0.671 10 10 CCCE OC[C@H](O)[C@H]1COCCN1c1ccc2c(c1)CCC2 2226755494 UGVNFRFBYLZCIZ-CABCVRRESA-N 263.337 0.734 10 10 CCCE COc1ccc(N2C[C@H](O)[C@@H]3COC[C@H]32)c(CN)c1 2227672257 GREBZMBCRLSXHH-BNOWGMLFSA-N 264.325 0.350 10 10 CCCE COc1ccc(CN2CCNCCNCC2)c(O)c1 2227921287 OVUBEQFQNJONRK-UHFFFAOYSA-N 265.357 0.396 10 10 CCCE N[C@H]1[C@H]2C[C@@H](CN(Cc3ccc(O)cc3O)C2)[C@H]1CO 2239334699 WCQMNYGDAGUOLS-MEDZGJRSSA-N 278.352 0.485 10 10 CCCE CSc1ncc(CNC(=O)C[C@]2(O)CCNC2)s1 2256946106 CPAKASYXULYPHM-LLVKDONJSA-N 287.410 0.596 10 10 CCCE CSc1ncc(CNC[C@H](C)N2CC(N)C2)s1 2248745671 XPTVVBCNUUVTJU-QMMMGPOBSA-N 272.443 0.986 10 10 CCCE COC(=O)C1(NS(=O)(=O)Cc2ccc(N)cc2)CC1 2268349861 YMYZFEUEBAYMJV-UHFFFAOYSA-N 284.337 0.394 10 10 CCCE CN1CCc2cc([C@H](O)C3CN(C4CNC4)C3)ccc21 2284487281 LFWFIPRCJIYOEP-INIZCTEOSA-N 273.380 0.616 10 10 CCCE Nc1ccc(CC(=O)N2C[C@@H]3OCC[C@@]3(CO)C2)cc1 2296432364 AXPULOSGLIOBAE-ZFWWWQNUSA-N 276.336 0.421 10 10 CCCE Cc1cc([C@H](C)N)ccc1N1C[C@H](O)[C@@H](O)[C@H](CO)C1 2289399557 ARLPXYFWBOZICG-LVGORTOPSA-N 280.368 0.165 10 10 CCCE Cc1c([C@H](C)N)ccc(N2C[C@H](O)[C@H](O)C2)c1C 2318393102 YKYXBOAYXPQZBY-LEWSCRJBSA-N 250.342 0.865 10 10 CCCE [N-]=[N+]=NCC1(CNS(=O)(=O)CCOCCF)CC1 2317736005 ARCVWHIOYWMAFO-UHFFFAOYSA-N 280.325 0.982 10 10 CCCE COC1CC2(CC(COc3nnc(=N)[nH]n3)C2)C1 2327788427 DXFUHSZINBWJDF-UHFFFAOYSA-N 251.290 0.263 10 10 CCCE O=[N+]([O-])c1cc(N2C[C@H]3C[C@H]3[C@@H]2CO)ccc1CO 2332564809 ZDYHQAFRZISUFA-XWIASGKRSA-N 264.281 0.904 10 10 CCCE Cc1cc(NS(=O)(=O)N2CCNCC2)cc(C)c1O 2340883212 PAIRQVOKOQFOPF-UHFFFAOYSA-N 285.369 0.571 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1CCCC[C@H]1O 52009806 NMYDSPIXAIQUOO-QJPTWQEYSA-N 294.351 0.387 10 10 CCCE NCCN1CCN(C(=O)Nc2ccc(N)cc2)CC1 217313594 CUDCFYYAABWDGN-UHFFFAOYSA-N 263.345 0.377 10 10 CCCE O=C(NC[C@@H]1CCCCN1)c1cccc(O)c1O 126101970 VWBAHGYTNRIAJA-VIFPVBQESA-N 250.298 0.970 10 10 CCCE O=C(NC[C@@H](O)C(F)(F)F)c1cc(O)nc(O)c1 236537825 ODWFRCSVTPOFJW-RXMQYKEDSA-N 266.175 0.146 10 10 CCCE COC(=O)N[C@@H]1CCN(CC(=O)Nc2ccc(N)cc2)C1 133639487 UTEUHNCPNZDDRK-GFCCVEGCSA-N 292.339 0.638 10 10 CCCE CN(C)c1ccc(CNc2nnnn2CCO)cc1 41689089 JXHPPFVGZMLXNJ-UHFFFAOYSA-N 262.317 0.344 10 10 CCCE COC(=O)CCCS(=O)(=O)NCc1ccc(N)cc1 49061960 SLSHQHLZVHTASH-UHFFFAOYSA-N 286.353 0.641 10 10 CCCE Nc1ccc(NC(=S)NCCN2CCOCC2)cc1 244447458 YZTJVZMZVYXFNN-UHFFFAOYSA-N 280.397 0.887 10 10 CCCE [N-]=[N+]=NC[C@H]1O[C@@H](n2ccc(=N)nc2O)C[C@H]1O 616584839 BYOFOXNPSZKEAF-ATRFCDNQSA-N 252.234 0.027 10 10 CCCE CC(=O)C(=O)COC(=O)c1cn(-c2ccccc2)nn1 808501962 SKLHDQKUXOODGJ-UHFFFAOYSA-N 273.248 0.582 10 10 CCCE CN1CCCc2cc([C@@H](NN)[C@H]3COCCO3)ccc21 2163149456 JWRKIWGDYYKTNF-HUUCEWRRSA-N 277.368 0.989 10 10 CCCE CCOC(=O)c1ccc(C(=O)OCC(=O)C(C)=O)nc1C 808503036 YFLNJFUXZDEIDG-UHFFFAOYSA-N 293.275 0.882 10 10 CCCE CO[C@H]1C[C@H](NC(=O)[C@@H](N)Cc2ccc(O)c(O)c2)C1 706555129 TWSZHFXTNLYYER-DCAQKATOSA-N 280.324 0.261 10 10 CCCE CCOc1ccc(N2CCN[C@H]3CS(=O)(=O)C[C@@H]32)cc1 2162669607 XCJOYSHJAGBDDR-KBPBESRZSA-N 296.392 0.661 10 10 CCCE Oc1ccc(CN2CC[C@]3(CNCCO3)C2)c(O)c1 719992898 KWXRUXFNFVDUOA-AWEZNQCLSA-N 264.325 0.662 10 10 CCCE COc1cc(CO)cc([C@H]2COCC(=O)N2)c1O 725434266 JHUFOLBKDAKVCH-SECBINFHSA-N 253.254 0.081 10 10 CCCE C[C@H]1CN(C(=O)c2cc(O)nc(O)c2)C[C@@H](C)[C@@H]1N 721634285 UTWXRMYMAZJFIK-JDICNCQASA-N 265.313 0.548 10 10 CCCE CC(=O)C(=O)Cn1cnc2cc(C(C)(C)C)nn2c1=O 919543182 INCRIWMWSXLVKI-UHFFFAOYSA-N 276.296 0.347 10 10 CCCE COC(=O)[C@H]1CCN[C@H]1c1ccc(O)c(O)c1O 1952863994 YCENAYJLDZMFQO-CBAPKCEASA-N 253.254 0.627 10 10 CCCE Cc1c(C(=O)NCc2c(O)cccc2F)nnn1C 928706565 XJMMRWABVSBOKQ-UHFFFAOYSA-N 264.260 0.898 10 10 CCCE NC(=O)C[C@@H]1CN(Cc2cc3c(cc2O)CCC3)CCO1 863324776 KAGRBQPDGLEECF-CQSZACIVSA-N 290.363 0.957 10 10 CCCE Cn1c(C(=O)O)cc(=O)n2nc(-c3cccnc3)cc12 71469905 UMYXAAACDWPGIV-UHFFFAOYSA-N 270.248 0.793 10 10 CCCE CCCNC(=O)CNC(=O)Cc1ccc(O)c(O)c1 1135652860 SOIYPWBCAZQVFZ-UHFFFAOYSA-N 266.297 0.283 10 10 CCCE CN(c1ccc2c(c1)NC(=O)[C@@H]2N)[C@H]1CCC[C@H]1O 709477161 WEUMQKWEVJXTJM-YNEHKIRRSA-N 261.325 0.988 10 10 CCCE COC[C@H](ON)C(=O)N(C)Cc1ccc(N(C)C)cc1 710506079 IKUJDZKALLCJAA-ZDUSSCGKSA-N 281.356 0.616 10 10 CCCE CC[C@]1(O)CCCN(C(=O)c2cc(O)nc(O)c2)C1 710581249 LWPPREASHQZMAS-ZDUSSCGKSA-N 266.297 0.870 10 10 CCCE COc1ccc(O)c(CNC[C@H]2CCO[C@H]2C(=O)O)c1 716297745 MIPNEKBAXMMZGS-NOZJJQNGSA-N 281.308 0.980 10 10 CCCE COC(=O)[C@H]1CCN(C(=O)COc2ccc(N)cc2)C1 95017110 FHTVYAGQUOVYQS-JTQLQIEISA-N 278.308 0.669 10 10 CCCE CNC(=O)[C@@H](C)N(C)c1ccc([C@@H](C)N)c(O)c1 1916816498 RNFAYQBQMSDWID-RKDXNWHRSA-N 251.330 0.983 10 10 CCCE COC(=O)[C@@H](NC=O)[C@H](O)c1ccc(N(C)C)cc1 2121845988 PVHNIHSTOLFHLE-NWDGAFQWSA-N 266.297 0.074 10 10 CCCE Nc1ccc(NC(=O)CN2C[C@@H]3CCO[C@H]3C2)cc1 2115408090 UXKGLOGGAQYLKM-GWCFXTLKSA-N 261.325 0.928 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CC4(CC[C@H]4O)C3)ccc21 2123113594 CUBDIRRPIPTBIO-NEPJUHHUSA-N 259.309 0.600 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1C[C@@H]2C[C@H](CO)[C@@H]2C1 2117687761 CIBZLJLNLYVRFA-HBNTYKKESA-N 263.293 0.798 10 10 CCCE O=C(O)C[C@@H]1CN(Cc2c(O)cccc2F)C[C@@H]1O 2117724529 LYASEYPEIYTDCD-PELKAZGASA-N 269.272 0.799 10 10 CCCE NC(=O)CN(Cc1ccc(N)cc1)C(=O)[C@@H]1C[C@@H]1F 2119087073 SFLJRFVZOYVAPL-MNOVXSKESA-N 265.288 0.441 10 10 CCCE CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](O)CN 2120327451 VVOSTJXGSWNTCD-ZDUSSCGKSA-N 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COCC1CN(C(=O)[C@@H](N)Cc2ccc(O)c(O)c2)C1 1916859298 XJNCLZIJDHSEIN-NSHDSACASA-N 280.324 0.072 10 10 CCCE CN(C)c1ccc(CN(CC(N)=O)CC(=O)O)cc1 2136335249 ABCFTVQTXHDVEF-UHFFFAOYSA-N 265.313 0.125 10 10 CCCE CCO[C@H]1COCC[C@H]1NC(=O)Cc1ccc(O)c(O)c1 1611369989 BGNAQWADGGFBTJ-RISCZKNCSA-N 295.335 0.951 10 10 CCCE CN[C@@H]1CN(C(C)=O)C[C@@H]1c1ccc(O)c(O)c1 1614804732 CBGMSCJJAPSCSU-GHMZBOCLSA-N 250.298 0.632 10 10 CCCE NC(=O)[C@@H]1[C@H]2CN(CCOc3ccc(N)cc3)C[C@H]21 2136629315 GZNCXCRLDOJWEI-ITGUQSILSA-N 261.325 0.311 10 10 CCCE CCN1C(=O)[C@H]2CNCCN2c2ccc(OC)cc21 215427490 WZTUXYXWULDAFZ-CYBMUJFWSA-N 261.325 0.840 10 10 CCCE CN(C)[C@H]1COC[C@@H]1NC(=O)CCc1ccc(N)cc1 1922109368 BWMNHHPLHSHYDJ-KBPBESRZSA-N 277.368 0.647 10 10 CCCE C[C@@H]1CS(=O)(=O)CCN1c1cc2c(cc1N)OCCO2 228721789 GBJKDKBFWYVDTF-SECBINFHSA-N 298.364 0.663 10 10 CCCE COC[C@](C)(CO)CNCc1ccc(O)c(O)c1O 1927000091 NKGUDSCMGXFSHF-ZDUSSCGKSA-N 271.313 0.538 10 10 CCCE Nc1ccc(NC(=O)CN2C[C@H]3C[C@H]2[C@H]3CO)cc1 2138372747 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10 10 CCCE CN[C@H](C)c1ccc(N2CC(O)(C(N)=O)C2)c(F)c1 1915248889 NOFRUAYUECTJEA-MRVPVSSYSA-N 267.304 0.143 10 10 CCCE CCCS(=O)(=O)CC(=O)NCc1ccc(O)cc1O 1451763933 CIMSAPQSDFUMKL-UHFFFAOYSA-N 287.337 0.539 10 10 CCCE CNC(=O)[C@H](C)N(C)c1ccc(CNCCOC)cc1 1916826244 NYCGTDPZNUUKND-LBPRGKRZSA-N 279.384 0.993 10 10 CCCE CO[C@@H](C(=O)NCc1c(O)cccc1O)[C@H]1CCOC1 1456315141 IMNRIDYJGNXGDK-TVQRCGJNSA-N 281.308 0.766 10 10 CCCE COCCOCC(=O)NCc1c(O)cccc1O 1456237711 WCYKTAKWZIBLHE-UHFFFAOYSA-N 255.270 0.377 10 10 CCCE O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccc(O)nn1 1468303949 UJNSUSMTTOTNTG-DJWKRKHSSA-N 287.275 0.923 10 10 CCCE CNC(=O)NCCC(=O)NCc1c(O)cccc1O 1639292557 HVAFPMUVANQTQD-UHFFFAOYSA-N 267.285 0.033 10 10 CCCE O=C1Nc2cc(N3C[C@H]4C[C@H]3[C@H]4CO)ccc2[C@@H]1O 2138271592 SHOQGNYGORQVHH-PXMUGDLCSA-N 260.293 0.489 10 10 CCCE O=C(CC1CS(=O)(=O)C1)NCCc1ccc(O)c(O)c1 1595751066 DEBOGUYWTPFOGH-UHFFFAOYSA-N 299.348 0.191 10 10 CCCE CN1NC(=O)[C@H](CC(=O)Nc2ccc(F)c(F)c2)C1=O 169996401 FCYFGQOAMYGWJV-ZETCQYMHSA-N 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10 10 CCCE CO[C@@H]1C[C@@H](CO)N(C(=O)Cc2ccc(N)cc2)C1 389071858 KWEDVYQOXPZTLK-QWHCGFSZSA-N 264.325 0.420 10 10 CCCE CNCc1ccc(N2CC(O)(CO)C2)c(C(F)(F)F)c1 2171951246 NEJUCEKBWSHGAA-UHFFFAOYSA-N 290.285 0.968 10 10 CCCE CC(C)NCc1ccc(N2CC[C@@](O)(C(N)=O)C2)cc1 380338938 YBIZIXMKZNTRDL-HNNXBMFYSA-N 277.368 0.611 10 10 CCCE O=C(O)[C@@H]1CO[C@@H](CNCc2ccc(O)cc2O)C1 714010929 UVOVOYHIBGCMDW-GXSJLCMTSA-N 267.281 0.677 10 10 CCCE Cn1ccnc1NS(=O)(=O)Cc1ccc(N)cc1 382386513 FRGYCNFKLLFEML-UHFFFAOYSA-N 266.326 0.944 10 10 CCCE CN(CCCCO)c1cc2c(cc1N)OCC(=O)N2 385208681 VTLDUQIIOLSLNX-UHFFFAOYSA-N 265.313 0.808 10 10 CCCE C[C@@H](O)[C@@H](O)CNCc1ccc(N2CCOCC2)cc1 717328905 IGOZGIGBOSXQHK-DOMZBBRYSA-N 280.368 0.355 10 10 CCCE O=C(NCCc1cc(O)n[nH]1)c1cccc(O)c1O 392777824 FFAHQLUIAZEVMZ-UHFFFAOYSA-N 263.253 0.499 10 10 CCCE CN(C)c1ccc(CNC[C@@H]2CN3CCN2CC3)cc1 394764788 VEQZIBBRWCKDHQ-MRXNPFEDSA-N 274.412 0.842 10 10 CCCE CNCc1ccc(N2C[C@@H]3C(=O)NC(=O)[C@H]3C2)c(Cl)c1 395418657 JHCYHEFLYZFYRX-UWVGGRQHSA-N 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N[C@H]1CCC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2068616099 WUWSJCRTWJRLDO-YUMQZZPRSA-N 252.270 0.413 10 10 CCCE Nc1ccc(NC(=O)NC[C@@]2(O)CCOC2)cc1 2071567389 UOKSXZVMIMPPQO-LBPRGKRZSA-N 251.286 0.542 10 10 CCCE CN(C(=O)c1cc(O)nc(O)c1)C1CC(CO)C1 2073297819 IMSXIQBZMFBGDV-UHFFFAOYSA-N 252.270 0.336 10 10 CCCE [N-]=[N+]=NCCN[C@@]1(C(N)=O)CCOC2(CCC2)C1 2076719410 UWRHOQVLWDHQKU-NSHDSACASA-N 253.306 0.844 10 10 CCCE COc1ccc(N2C[C@H](N)C[C@@H](C(N)=O)C2)c(F)c1F 2201630935 PWQLHCMSWTVLMT-HTQZYQBOSA-N 285.294 0.612 10 10 CCCE O=C(NC[C@@]1(F)CCCNC1)c1ccc(O)c(O)c1 2101315638 XSOQJPGFLBAENI-CYBMUJFWSA-N 268.288 0.919 10 10 CCCE COC[C@](C)(CCN)NC(=O)c1ccc(O)c(O)c1 2101718693 AGNLHSGZOHXPAS-ZDUSSCGKSA-N 268.313 0.582 10 10 CCCE NC(=O)N1CCN(Cc2ccc(F)cc2O)CC1 2084093658 VVBATBNBQVPWGG-UHFFFAOYSA-N 253.277 0.728 10 10 CCCE C[C@H](N)c1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CF)cc1 2084799205 SDCSUUGXLPVEAP-ZBPZKIAKSA-N 254.305 0.586 10 10 CCCE CN(CCCN=[N+]=[N-])[C@H]1CC(CO)(CO)C[C@@H]1O 2085478791 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COc1cccc(CN2CCN(CCCN)CC2)c1O 2234450655 KXDSMJQYCOQPKH-UHFFFAOYSA-N 279.384 0.867 10 10 CCCE O[C@@H]1C[C@H]2C[C@@H]([C@H]1O)N(c1ccc3c(c1)OCCO3)C2 2235095425 ZZFDTWGIUMOLGO-JDTTZNEISA-N 277.320 0.778 10 10 CCCE CN(C)c1ccc(O[C@H]2CCN(CC(=O)O)C2=O)cc1 2237690535 YVXBBUYFGBOLIO-LBPRGKRZSA-N 278.308 0.817 10 10 CCCE C[C@@H](c1ccc(O)cc1O)N1CCNCCNCC1 2227922461 SCBQQMDEYAJGMF-NSHDSACASA-N 265.357 0.654 10 10 CCCE Cc1cc([C@@H](C)O)ccc1N1CC2(C1)OC[C@H](O)[C@H]2O 2240833942 UOINHOBJQPUMJT-DDTOSNHZSA-N 279.336 0.359 10 10 CCCE CSc1ncc(CNC(=O)C[C@H](O)CN)s1 2243773505 OOVYXAQYLQQDKQ-LURJTMIESA-N 261.372 0.191 10 10 CCCE O=C(C[S@@](=O)CC1COC1)c1ccc(O)c(O)c1 2258836210 QFERWXWEMOMOGS-SFHVURJKSA-N 270.306 0.676 10 10 CCCE COCC1(C)CC(NCCCN=[N+]=[N-])(C(N)=O)C1 2260939462 AZCREDUFORCMAI-UHFFFAOYSA-N 255.322 0.947 10 10 CCCE COc1ccc(N(C)[C@@H]2CC[C@](N)(C(N)=O)C2)cc1 2264350651 LVHUFGCWJOPXRF-BXUZGUMPSA-N 263.341 0.867 10 10 CCCE CNCc1ccc(N2C[C@H](O)[C@H](O)C2)cc1C1CC1 2339162900 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CC(=O)C(=O)COC(=O)c1ccnc(N(C)C)c1 808503590 IPFXNXPLHKZUBY-UHFFFAOYSA-N 250.254 0.463 10 10 CCCE CO[C@H]1C[C@H](O)CN(c2cc3c(cc2N)OCCO3)C1 2165321775 GUWISTAKYPRZCN-UWVGGRQHSA-N 280.324 0.626 10 10 CCCE CC(=O)C(=O)COC(=O)CCn1nc(C)cc1C 808493266 YEAGBWGMVBABOQ-UHFFFAOYSA-N 252.270 0.591 10 10 CCCE COc1cc(C(=O)N[C@H](C)CC(=N)NO)cc(OC)n1 2166934358 GQYCPTVPTBSLQE-SSDOTTSWSA-N 282.300 0.563 10 10 CCCE CCN[C@H]1C(=O)Nc2cc(N(C)[C@H](C)C(N)=O)ccc21 723191767 LURQOTMQSLTLKO-PRHODGIISA-N 276.340 0.599 10 10 CCCE CO[C@H](C(=O)NCc1ccc(O)c(O)c1)[C@@H]1CCOC1 830559868 WZTXBSDAVCSQNY-MFKMUULPSA-N 281.308 0.766 10 10 CCCE Nc1ccc(NC(=O)C(=O)N2CC[C@@H]3COC[C@@H]3C2)cc1 850855384 XESQWDQLVYEXJM-MNOVXSKESA-N 289.335 0.702 10 10 CCCE CNCc1nnc([C@@H](N)Cc2ccc(O)c(O)c2)o1 83463257 PWIDGMQYMPDUBX-QMMMGPOBSA-N 264.285 0.443 10 10 CCCE CN1CCN(C(=O)c2cccc(O)c2O)[C@@H](C(N)=S)C1 708568769 UCASYJSLVHUBKW-SECBINFHSA-N 295.364 0.140 10 10 CCCE NS(=O)(=O)C1(CNCc2ccc3c(c2)CCO3)CC1 713935658 RHTWRSBGYCMZST-UHFFFAOYSA-N 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276.336 0.897 10 10 CCCE COC(=O)[C@@H]1CNC[C@H]1c1ccc(O)c(O)c1O 1951666530 XAHZQVQXTXKPAF-JGVFFNPUSA-N 253.254 0.279 10 10 CCCE CN1CCN(CCOC(=O)CCc2ccc(N)cc2)CC1 213645211 RDJZWAQHAWHBEL-UHFFFAOYSA-N 291.395 0.992 10 10 CCCE C[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1CO 227124491 ZDVQWSMNZZOELZ-IONNQARKSA-N 252.270 0.336 10 10 CCCE CNC(=O)CN(C)Cc1cc(C(C)=O)ccc1O 48174170 DWMKYJDUNVUPIZ-UHFFFAOYSA-N 250.298 0.773 10 10 CCCE CN(C)Cc1cc([C@H]2CNC[C@@H]2C(=O)O)ccc1O 1952122713 XPXYJHPYQPWDRX-NEPJUHHUSA-N 264.325 0.841 10 10 CCCE C[C@@H](N)c1ccc(N2CCOC[C@H]2CO)cc1O 253065490 IKIBPIHYZHVUTO-MWLCHTKSSA-N 252.314 0.609 10 10 CCCE CC(=O)C(=O)Cn1nnc(-c2ccc(Br)o2)n1 808023606 QGRRHJUPKNZNRB-UHFFFAOYSA-N 299.084 0.854 10 10 CCCE CN1CCN(C)[C@H]([C@H](N)c2ccc3c(c2)CCN3C)C1 2163077196 ULQTZRCMCBNJJT-JKSUJKDBSA-N 274.412 0.925 10 10 CCCE CC(=O)C(=O)COC(=O)c1cccc2c1O[C@@H](C)C(=O)N2 808515249 MAGPVAWGZJDHTG-QMMMGPOBSA-N 291.259 0.721 10 10 CCCE CN1CCN(C)[C@@H]([C@H](NN)c2ccc(N(C)C)cc2)C1 2163130203 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[N-]=[N+]=NC1CN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C1 1912201331 SJDZMKWTRMLSEW-SSDOTTSWSA-N 252.278 0.298 10 10 CCCE NC(=S)[C@H]1C[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)C1 2132407546 PZHIOCLWXFVEBU-IAQIWYKVSA-N 282.321 0.598 10 10 CCCE C[C@@H]1C[C@@H](N)CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2132409154 CFBGNXZWTWYNMG-VXNVDRBHSA-N 266.297 0.613 10 10 CCCE CS(C)(=O)=NCCNCc1ccc(O)cc1O 1913486393 RQQXNQMUAHLTLP-UHFFFAOYSA-N 258.343 0.915 10 10 CCCE CNC(=O)NC(=O)[C@@H](C)N1CCC(N=[N+]=[N-])CC1 1912156558 PBXBZTQUOSHKRT-SSDOTTSWSA-N 254.294 0.605 10 10 CCCE C[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)N(C)C 1299845907 IGVFRKNOHRQNCT-VIFPVBQESA-N 252.314 0.707 10 10 CCCE NCc1ccc(N2CC[C@H]3C[C@H]2[C@H](O)[C@H]3O)c(F)c1 2134814467 DMQXAMSDNKVJGN-HBEIAFGSSA-N 266.316 0.605 10 10 CCCE COc1cc([C@H](O)C(=O)C(C)=O)cc2c1OCCO2 1919050181 WIMRAWSJTVUCFN-LBPRGKRZSA-N 266.249 0.658 10 10 CCCE NC[C@@H]1C(=O)NCCCN1c1ccc2c(c1)OCO2 216976069 QQQVGZKHBUNTCG-SNVBAGLBSA-N 263.297 0.069 10 10 CCCE CC(=O)NC1CCN(C(=O)c2ccc(O)c(O)c2)CC1 226986368 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C[C@](CO)(NC(=O)c1ccc(O)c(O)c1)C1CC1 2029958384 AUBOVTDLDVLVHA-CYBMUJFWSA-N 251.282 0.989 10 10 CCCE CC(C)C[C@H](O)Cn1ccc2c(c1=O)CNCC2 2038044532 QKZWNOADMKXXCN-LBPRGKRZSA-N 250.342 0.901 10 10 CCCE CCNC(=O)C1(NC(=O)CCc2ccc(N)cc2)CC1 2159808770 FPCSJLKPTTXDIE-UHFFFAOYSA-N 275.352 0.986 10 10 CCCE CN(C(=O)CN1CC(C)(N(C)C)C1)c1ccc(N)cc1 2160657774 IATYQMRSSXMWSV-UHFFFAOYSA-N 276.384 0.868 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCc1ccsn1 705665599 BDWVPZYRWBMLMG-JTQLQIEISA-N 293.348 0.741 10 10 CCCE CN1CCc2cc(CNCCn3ncnn3)ccc21 380001844 YAFCPIHVNLVXIW-UHFFFAOYSA-N 258.329 0.455 10 10 CCCE Nc1cc2c(cc1N1C[C@@H]3COC[C@H]3C1)NC(=O)CO2 718192725 IUBSCAWCMITJMA-RKDXNWHRSA-N 275.308 0.682 10 10 CCCE COc1ccc(O)c([C@@H](C)N[C@@H]2CONC2=O)c1 393740985 BTODNBSPJROSSD-GMSGAONNSA-N 252.270 0.481 10 10 CCCE C[C@H](c1c(O)cccc1O)N1CCC(O)(CN)CC1 397043429 SWERVUQTKXQMEE-SNVBAGLBSA-N 266.341 0.944 10 10 CCCE C[C@H](C(=O)Nc1ccc(N)cc1)N1C[C@@H](CO)[C@@H](F)C1 2177137792 PRFXWIOYKYPCTO-NRUUGDAUSA-N 281.331 0.858 10 10 CCCE CN[C@H](C)c1ccc(N2CC3(CNC(=O)N3)C2)c(F)c1 2177691905 PGXMPPYLOYKBKF-SECBINFHSA-N 278.331 0.978 10 10 CCCE CC(C)[C@H](O)CN(C)C[C@H](O)COc1ccc(N)cc1 2167592459 MBZRUVPGHHUDSQ-DZGCQCFKSA-N 282.384 0.957 10 10 CCCE C[C@]1(CO)COCCN1c1ccc(CO)cc1[N+](=O)[O-] 2169038645 IJIQAQUVBZRSKS-ZDUSSCGKSA-N 282.296 0.675 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@]23CCCNC[C@H]2C3)cc1 2191693703 GIUSZQNQPXUAIL-TZMCWYRMSA-N 295.408 0.830 10 10 CCCE Nc1ccc(OCC(=O)N2CC[C@@]3(CCNC3)C2)cc1 2191706667 KUFOQDUACURHHL-OAHLLOKOSA-N 275.352 0.860 10 10 CCCE CNCc1ccc(N2C[C@@H]3C[C@H](C2)[C@H](O)[C@H]3O)c(C)c1 2182542558 JHVGSCUBIHZHLS-XRGAULLZSA-N 276.380 0.892 10 10 CCCE CNCc1ccc(N2C[C@@H]3C[C@H](C2)[C@@H](O)[C@H]3O)c(F)c1 2182559731 KLLPTIFOIFXXQQ-HGSJOUDDSA-N 280.343 0.723 10 10 CCCE CN1CC=C(CNC(=O)c2cc(O)c(O)c(O)c2)CC1 2188874139 DHHDIOILILEGNU-UHFFFAOYSA-N 278.308 0.795 10 10 CCCE NC[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)c1cc(O)c(O)c(O)c1 2188911673 DVEYGCYNCTYJQX-FXBDTBDDSA-N 278.308 0.755 10 10 CCCE COC[C@H]1CNCCN1Cc1c(O)cccc1F 2042626033 IDRMPJAYIJTZHY-SNVBAGLBSA-N 254.305 0.952 10 10 CCCE CN1CCc2cc([C@@H](N)[C@@H]3CCS3(=O)=O)ccc21 2044754959 RNHYYCABFRUUJJ-QWHCGFSZSA-N 266.366 0.866 10 10 CCCE Nc1ccc(CS(=O)(=O)NCc2cnsn2)cc1 2048232552 HMNDNLVHONODLR-UHFFFAOYSA-N 284.366 0.740 10 10 CCCE CN[C@@H](c1ccc(N(C)C)cc1)[C@H](O)c1ncn(C)n1 2190733591 NBHUETAXSVFGAR-STQMWFEESA-N 275.356 0.875 10 10 CCCE CCn1nnnc1[C@@H](O)[C@H](N)c1ccc(N(C)C)cc1 2196235453 UEGFECHDCJCOCH-NEPJUHHUSA-N 276.344 0.492 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CC2(CCO2)C1 2068615940 UYOVRLLXZCLMBF-UHFFFAOYSA-N 251.238 0.418 10 10 CCCE CCON(CCN)S(=O)(=O)Cc1ccc(N)cc1 2071566201 BORRACZDWMLJIO-UHFFFAOYSA-N 273.358 0.311 10 10 CCCE COc1ccc(CNC2(CO)CC(O)C2)cc1C 2073601973 PCHUWWTXFBSSNV-UHFFFAOYSA-N 251.326 0.979 10 10 CCCE CO[C@H]1C[C@@](CO)(NC(=O)CCc2ccc(N)cc2)C1 2198591042 POOAYIDWXCDTSS-OTVXOJSOSA-N 278.352 0.858 10 10 CCCE NC(=O)C[C@H](N)c1nc(-c2ccc(O)c(O)c2)no1 2102823852 RQEHOMFCWPZOBE-LURJTMIESA-N 264.241 0.023 10 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COCc1ncc(C(=O)NCCCN=[N+]=[N-])n1C 2316666948 LQIUQNJCBODHIU-UHFFFAOYSA-N 252.278 0.997 10 10 CCCE CN(Nc1nc2c(s1)CC[C@@H]2C(=O)O)S(C)(=O)=O 2317453355 UEOKWLPMPKQYCZ-YFKPBYRVSA-N 291.354 0.476 10 10 CCCE Cc1cc(N2[C@H]3CC[C@@H]2C[C@@H](O)[C@H]3O)ccc1CO 2331965586 CATVVNRULJMCMC-BARDWOONSA-N 263.337 0.950 10 10 CCCE Nc1ccc(O)c(CN2[C@H]3CC[C@@H]2C[C@@H](O)[C@@H]3O)c1 2331966378 IEHGJSOTBHHWFF-ZMJPVWNMSA-N 264.325 0.433 10 10 CCCE N[C@@H]1CCc2cc(N3C[C@@H](O)[C@@H](O)[C@H]3CF)ccc21 2333238090 VJMCRHNSDIUNCO-SYQHCUMBSA-N 266.316 0.513 10 10 CCCE CO[C@H]1CN(C(=O)Cc2ccc(N)cc2)[C@@H]2COC[C@@H]21 2354358426 JBICGIRGASNSGL-MJBXVCDLSA-N 276.336 0.684 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1C[C@@H]2C[C@H]1C[C@H]2O 2355706753 WMXQCPJVKBKICN-MRBYEJRBSA-N 277.320 0.916 10 10 CCCE N[C@H]1CCc2cc(N3C[C@H]4C[C@H](O)[C@@H](O)[C@@H]3C4)ccc21 2356172589 BBXIEPKDSQSDOR-RQISZKQWSA-N 274.364 0.953 10 10 CCCE Nc1ccc(CCC(=O)NCCOCCO)cc1 52924917 ZLMQQWLHQGSWSA-UHFFFAOYSA-N 252.314 0.327 10 10 CCCE C[C@H](Cc1ccc(O)c(O)c1)C(=O)N1CC(O)C1 170045275 YIRHUNITQPQUBZ-MRVPVSSYSA-N 251.282 0.480 10 10 CCCE C[C@H]1CN(C(=O)c2cccc(O)c2O)C[C@@H]1C(=O)O 126028725 SUQSCHCMWYIWBT-CBAPKCEASA-N 265.265 0.891 10 10 CCCE O=C(NCCCN1CCOC1=O)c1cccc(O)c1O 280753558 XLRVYSINPJUGAX-UHFFFAOYSA-N 280.280 0.670 10 10 CCCE O=C1CNC[C@@H](c2cc(Br)ccc2O)N1 1952071102 OOIPFQHOVMMMRJ-QMMMGPOBSA-N 271.114 0.915 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC[C@H]1CCC[C@H]1O 89169992 KTDIVVVGCIOSHV-GRYCIOLGSA-N 294.351 0.245 10 10 CCCE C[C@](NCCN=[N+]=[N-])(C(N)=O)c1cncc(F)c1 235693194 QWJNPAPVXMZNBB-SNVBAGLBSA-N 252.253 0.821 10 10 CCCE NC(=O)[C@@H](NC[C@@H]1CCCO1)c1cc(F)ccc1O 236169728 AOGRTYUXHRUYLO-CABZTGNLSA-N 268.288 0.826 10 10 CCCE C[C@@H](CO)[C@@H](C)NC(=O)c1c(F)ccc(O)c1O 276559754 IXTMPVCWEWWTFF-NKWVEPMBSA-N 257.261 0.984 10 10 CCCE C[C@](O)(C(=O)O)[C@@H](N)c1cccc(Br)c1O 713795038 MZEFFZIVHVDAOF-WCBMZHEXSA-N 290.113 0.990 10 10 CCCE C[C@H](N)c1nc(NC(=O)c2cccc(O)c2O)n[nH]1 2130116760 DUCUQGIDRUWZDM-YFKPBYRVSA-N 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CNCc1ccc(N2C[C@@H]3C[C@H](C2)[C@H](O)[C@@H]3O)cc1 2126155760 ANWORTJHDPBALV-IKARSPCKSA-N 262.353 0.584 10 10 CCCE C[C@@H](NCC1CN(C(N)=O)C1)c1ccc(O)cc1O 2124811608 IHXSJIBTDNBZLB-MRVPVSSYSA-N 265.313 0.759 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CC[C@H]2[C@@H]1C[C@H]2O 2132350952 RWTSPYINMLNCQE-XHNCKOQMSA-N 265.265 0.399 10 10 CCCE NC[C@@H]1C[C@H](O)CN1c1ccc2c(c1)OC(F)(F)O2 2131037867 PYLYTSAASUTQSX-IUCAKERBSA-N 272.251 0.906 10 10 CCCE CN1CCN(C(=O)c2cc(O)c(O)c(O)c2)[C@@H]2C[C@@H]21 2132407008 LZZGNNGVEHASOG-DTWKUNHWSA-N 264.281 0.332 10 10 CCCE C[C@@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)[C@H]1CN 2132409024 BMAYTPKPJOXXAE-APPZFPTMSA-N 266.297 0.613 10 10 CCCE O=C(NC[C@]12CNC[C@@H]1C2)c1cc(O)c(O)c(O)c1 2132418239 IDWRGLXRLPUGKY-SDBXPKJASA-N 264.281 0.143 10 10 CCCE CC1(C)CNC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2132412094 ZYDMXKUFXVXMDH-JTQLQIEISA-N 266.297 0.531 10 10 CCCE CC1(C)C[C@H](O)[C@H](O)CN1Cc1cc(N)ccc1O 2132134576 GSLOZVSWTGVREN-QWHCGFSZSA-N 266.341 0.681 10 10 CCCE 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COCCNCc1ccc(N2CCOC[C@@H]2C(N)=O)cc1 159013881 BRDGIDGCCSQMDU-CQSZACIVSA-N 293.367 0.113 10 10 CCCE NC(=O)[C@H]1CCN(CC(=O)Nc2ccc(N)cc2)C1 236277216 IBMSRPXOKVFZHS-VIFPVBQESA-N 262.313 0.015 10 10 CCCE CCN[C@H](c1ccccc1O)[C@H](O)c1nnnn1C 1885447770 IZPLMWROLLIMOE-MNOVXSKESA-N 263.301 0.300 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@H](N)Cc1cnc[nH]1 2144681879 WTJQYIKEVOXHTD-GFCCVEGCSA-N 274.324 0.644 10 10 CCCE N[C@@H](CCCCNC(=O)c1cccc(O)c1O)C(=O)O 2151572069 WARIDQXILGRNQY-VIFPVBQESA-N 282.296 0.410 10 10 CCCE C[C@]1(NC(=O)Cc2ccc(O)c(O)c2)CCCNC1 1970952004 HBYPPVRZIDNQRS-AWEZNQCLSA-N 264.325 0.899 10 10 CCCE CN(C(=O)Cc1ccc(N)cc1)[C@@H]1CCC(=O)NC1 1970965066 BCPKVCZXSQJLGB-GFCCVEGCSA-N 261.325 0.548 10 10 CCCE O=C(Nc1onc2c1CNCC2)c1ccc(O)c(O)c1 2145439214 ZFKNRFLHSYKAFB-UHFFFAOYSA-N 275.264 0.984 10 10 CCCE C[C@@H]1CN(Cc2cc(N)ccc2O)CC[S@@]1=O 2004534697 KZTLLGCMKRCFFF-XLFHBGCDSA-N 254.355 0.927 10 10 CCCE C[C@H](c1ccccc1O)N(C)C(=O)[C@@H]1[C@@H]2NCCO[C@@H]21 2149335471 BXOPGRSHMOTKHX-WBMYTEFPSA-N 276.336 0.898 10 10 CCCE NCCC1CC(NC(=O)c2cc(O)nc(O)c2)C1 2029501473 WGSWVHJCQKOQJR-UHFFFAOYSA-N 251.286 0.350 10 10 CCCE CN(CCS(=O)(=O)N(C)C)c1ccc(CO)cc1 2033645657 MQXFAIGTAHZUBZ-UHFFFAOYSA-N 272.370 0.507 10 10 CCCE Oc1ccc(CN2CC[C@@H](N3CCNCC3)C2)cc1O 312307079 YHNGGJDJZQHDOY-CYBMUJFWSA-N 277.368 0.577 10 10 CCCE CN(C)C(=O)CN1CCN(CCCN=[N+]=[N-])CC1 700773911 MYJWPWRODRKPPV-UHFFFAOYSA-N 254.338 0.393 10 10 CCCE Oc1c(F)cc(F)cc1CNCCCc1nn[nH]n1 708393286 BNQSURUCOYXVQG-UHFFFAOYSA-N 269.255 0.906 10 10 CCCE C[C@H](N)c1ccc(N2CC(N(C)C3COC3)C2)cc1O 2173098776 BAOYCSZWBDDROI-JTQLQIEISA-N 277.368 0.931 10 10 CCCE C[C@H]1CS(=O)(=O)C[C@@H]1NCc1cc2c(cc1O)OCO2 711711050 DJJQTZWWULLVQU-WPRPVWTQSA-N 299.348 0.644 10 10 CCCE CN(CCO)CCN(C)c1ccc2c(c1)NC(=O)[C@H]2O 691275006 XAOFIWMISFOBOG-ZDUSSCGKSA-N 279.340 0.032 10 10 CCCE CNC(=O)C1CN(C(=O)CCc2ccc(N)cc2)C1 381960941 FKTBBHWURXDQCY-UHFFFAOYSA-N 261.325 0.406 10 10 CCCE CN(C)CC1CN(C(=O)COc2ccc(N)cc2)C1 382705718 DISGRSHBJCAPET-UHFFFAOYSA-N 263.341 0.668 10 10 CCCE COc1cccc(CN[C@@H]2CCCN(CCO)C2)c1O 384371416 IHLPKKPXJFWUST-CYBMUJFWSA-N 280.368 0.947 10 10 CCCE CCOc1ccc(N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 2173419070 VTPCLXDOKWADQI-OCCSQVGLSA-N 275.352 0.834 10 10 CCCE Oc1ccc(CNCC2[C@@H]3COC[C@@H]23)c(O)c1O 395155139 OEGZPKHVLVOYSW-UWVGGRQHSA-N 251.282 0.785 10 10 CCCE COc1ccc(O)c(CNC[C@H]2Cc3nncn3C2)c1 2167742994 XSTLDYJCENWWNE-SNVBAGLBSA-N 274.324 0.954 10 10 CCCE Nc1ccc(CC(=O)N[C@H]2CO[C@]3(CCOC3)C2)cc1 2178969367 RKGTVVPZGRUTJI-UKRRQHHQSA-N 276.336 0.876 10 10 CCCE Nc1cc(O)nn1Cc1cc([N+](=O)[O-])ccc1O 2070290353 RTSADBCGZKNOPS-UHFFFAOYSA-N 250.214 0.833 10 10 CCCE C[C@@H](N[C@@H]1CCn2nnnc2C1)c1ccc(O)cc1O 2175911940 KXBDUPVUPPRDPO-RKDXNWHRSA-N 275.312 0.750 10 10 CCCE CN1C(=O)O[C@H]2CN(CCOc3ccc(N)cc3)C[C@@H]21 2176923635 IBHSZDNQKWCFDI-STQMWFEESA-N 277.324 0.782 10 10 CCCE C[C@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)[C@H]1CO 1154345487 MWNOXDKSDUFFFL-ONGXEEELSA-N 265.309 0.870 10 10 CCCE C[C@H]1CO[C@@H](CO)CN1c1ccc(CO)c([N+](=O)[O-])c1 2188573374 FKQGICDODLZWRI-JOYOIKCWSA-N 282.296 0.673 10 10 CCCE C[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)CC[C@@H]1CO 2188868140 MTKPBQCTONXJPD-RKDXNWHRSA-N 281.308 0.894 10 10 CCCE N[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)C[C@H]1C1CC1 2188929637 PXDPJLFGFSKBCZ-VHSXEESVSA-N 278.308 0.613 10 10 CCCE CCNC(=O)C1(NC(=O)c2cc(O)c(O)c(O)c2)CC1 2188919661 ONZYVBIPDIYABA-UHFFFAOYSA-N 280.280 0.202 10 10 CCCE O=C(N[C@]12CCCNC[C@H]1C2)c1cc(O)c(O)c(O)c1 2188927805 HJPOSMKYIQQKNR-OTYXRUKQSA-N 278.308 0.675 10 10 CCCE CNCc1ccc(N2C[C@@H]3C[C@H](C2)[C@@H](O)[C@@H]3O)c(C)c1 2182542555 JHVGSCUBIHZHLS-OCVGTWLNSA-N 276.380 0.892 10 10 CCCE COCCN(c1ccc(CO)cc1[N+](=O)[O-])C1COC1 2193560745 KARGKMJHPUUGFV-UHFFFAOYSA-N 282.296 0.939 10 10 CCCE O[C@H]1CCc2cc(N3C[C@@H]4C[C@@H](C3)[C@H](O)[C@H]4O)ccc21 2184734387 SBEOQEJPSASHRV-FQDAJMMCSA-N 275.348 0.844 10 10 CCCE CN[C@@H]1CCc2cc(N3CC(O)(C(=O)OC)C3)ccc21 2184722723 CSMNLEXAHXMVIN-CYBMUJFWSA-N 276.336 0.617 10 10 CCCE O=C(O)[C@H]1COCCN1Cc1c(O)cccc1F 2042631562 SRPXUOAFNSOVJQ-SNVBAGLBSA-N 255.245 0.817 10 10 CCCE Cc1cc(NS(=O)(=O)N(C)CC(=O)O)ccc1O 2043251699 NANKHWIRHXCLHD-UHFFFAOYSA-N 274.298 0.374 10 10 CCCE [N-]=[N+]=N[C@@H]1CCN(CCC(=O)N2CCOCC2)C1 2053474319 FEXQOEWBQVFIPL-SNVBAGLBSA-N 253.306 0.620 10 10 CCCE CNC[C@@H]1CN(c2cc(OC)c(OC)cc2N)CCO1 2191564234 MFTNEPFOHGXNGE-SNVBAGLBSA-N 281.356 0.711 10 10 CCCE NCCN(C(=O)Cc1ccc(N)cc1)C1CCOCC1 2191659320 QGSPIPBQLNJIGD-UHFFFAOYSA-N 277.368 0.778 10 10 CCCE COc1ccc(N2C[C@H](OC)[C@H](N)C2)cc1OC 2058638627 JYGGALYRILETQF-MFKMUULPSA-N 252.314 0.866 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@H]2[C@@H]3CCCCN[C@H]32)cc1 2191706419 IDKNSSWVOBBEIM-MGPQQGTHSA-N 295.408 0.829 10 10 CCCE Oc1cccc(Cl)c1CN1C[C@H](O)CC12CNC2 2066539867 YIRYHDNRHXRVEW-SECBINFHSA-N 268.744 0.954 10 10 CCCE CC1(C)C[C@H](O)[C@@H](O)CN1c1ccc(CN)cc1 2068364530 DAEMWVVWTFZMMY-STQMWFEESA-N 250.342 0.856 10 10 CCCE NCC1CC(NC(=O)c2cc(O)c(O)c(O)c2)C1 2068621906 SIRSENOGAHPOJL-UHFFFAOYSA-N 252.270 0.271 10 10 CCCE CN(C(=O)C1=C[C@H](O)[C@H](N)C1)c1ccc([N+](=O)[O-])cc1 2188032538 RAKSNSDZPDQEIA-NEPJUHHUSA-N 277.280 0.576 10 10 CCCE Nc1ccc(CN2CCO[C@@H](CC(=O)O)C2)cc1 2076906652 UWQJBESYTLBWKD-LBPRGKRZSA-N 250.298 0.944 10 10 CCCE NS(=O)(=O)NCCCN[C@@H]1CCc2cccc(O)c21 2101323543 DBMRQPCCKOPAKE-SNVBAGLBSA-N 285.369 0.152 10 10 CCCE Nc1ccc(OCCS(=O)(=O)NC2[C@H]3CC[C@H]23)cc1 2103733024 CDBNALNOQBJYPS-RYUDHWBXSA-N 282.365 0.975 10 10 CCCE NCc1ccc(N2C[C@H](O)[C@H](O)[C@H]2CF)cc1Cl 2084799175 SATOAACNLNTIQN-GRYCIOLGSA-N 274.723 0.679 10 10 CCCE CN1CCCc2cc([C@H](O)Cn3cnnn3)ccc21 2106824247 XMGAWAYKCKIZES-CYBMUJFWSA-N 259.313 0.789 10 10 CCCE CN1CC(N(C)CCC(=O)Nc2ccc(N)cc2)C1 2089247496 VCDZDSLUCSQGEQ-UHFFFAOYSA-N 262.357 0.843 10 10 CCCE CCN1CCc2cc(N3CC(N)(C(N)=O)C3)ccc21 2109482361 UQCCSIBZJXWBLI-UHFFFAOYSA-N 260.341 0.072 10 10 CCCE CN(Cc1ccc(N)cc1)C(=O)[C@@H]1COCCN1C 2099560926 GQKTZTABPRLSFZ-ZDUSSCGKSA-N 263.341 0.558 10 10 CCCE COC(=O)[C@](C)(NCCCN=[N+]=[N-])[C@H](C)S(C)(=O)=O 2114219487 JPEASJYXHFVYRM-WCBMZHEXSA-N 292.361 0.641 10 10 CCCE COc1cccc(O)c1CN1[C@H]2CCNC[C@H]1COC2 2204632355 AGSORFABJUDYMT-RYUDHWBXSA-N 278.352 0.964 10 10 CCCE Oc1cc2c(cc1CN[C@@H]1CCC[C@@H](O)[C@@H]1O)OCO2 2232544287 ZOEVVKPKPKGYOB-GPCCPHFNSA-N 281.308 0.485 10 10 CCCE COC(=O)[C@@H]1CC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2233075284 HABXPPXNWJNADU-SFYZADRCSA-N 281.264 0.485 10 10 CCCE COc1ccc(N2C[C@@H]3C[C@H](C2)[C@H](O)[C@@H]3O)c(CO)c1 2236003817 UTQLFMYWYFHGLC-FHYCKABGSA-N 279.336 0.365 10 10 CCCE COc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3C(N)=O)c(CN)c1 2227682541 IMMAWBLIAAAOPD-PJXYFTJBSA-N 261.325 0.321 10 10 CCCE COc1ccc(N2CCN(C)[C@H](CO)C2)c(C=O)c1 2227702486 MBHINBDBCPVMOJ-LBPRGKRZSA-N 264.325 0.620 10 10 CCCE O=S(=O)(NCc1ccccc1O)C1CC2(C1)OCCO2 2252837827 VLVAWQALKGTMFN-UHFFFAOYSA-N 299.348 0.717 10 10 CCCE Cc1cc(N2CCOC[C@H]2[C@H](O)CO)ccc1[C@@H](C)N 2285134717 DPNGMYLDRDKDDS-BYCMXARLSA-N 280.368 0.573 10 10 CCCE CSc1ncc(CNC(=O)[C@@H]2CO[C@H](C)CN2)s1 2256941187 QZTNVJGIQBJSKE-APPZFPTMSA-N 287.410 0.858 10 10 CCCE CN1CC2(CN(c3ccc(CN)c(F)c3)C2)OCC1=O 2289810915 GNNMUDLYAQDNSN-UHFFFAOYSA-N 279.315 0.332 10 10 CCCE Nc1ccc(NC(=O)[C@H]2COC[C@H]2C(=O)O)cc1 2316485091 CUTKMPKBNCAVGX-VHSXEESVSA-N 250.254 0.555 10 10 CCCE NC[C@]1(Oc2ccc(N)cc2)CCCS(=O)(=O)C1 2319655399 GPLWFDFMBRVUMG-GFCCVEGCSA-N 270.354 0.554 10 10 CCCE CN1C(=O)[C@@H](O)c2ccc(N3CCO[C@@H]4C[C@@H]43)cc21 2330205211 BXSPGGZWDRDBCR-XQQFMLRXSA-N 260.293 0.674 10 10 CCCE C[C@@H](N)c1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)c(Cl)c1 2332923818 YYDSYXFJIOFSNZ-KQXJFYCDSA-N 286.759 0.262 10 10 CCCE [N-]=[N+]=N[C@H]1CCC[C@H]1NC(=O)[C@H]1CC[C@H](C(=O)O)O1 2333612255 KIQSXJRHBAWTFD-BZNPZCIMSA-N 268.273 0.966 10 10 CCCE O=C(NC[C@@H]1CNCC12CC2)c1cc(O)nc(O)c1 2336350147 PZUWYBDQLKKUEO-VIFPVBQESA-N 263.297 0.222 10 10 CCCE COc1cnc([C@H](O)[C@H](N)c2ccccc2O)nc1 2352175420 DXMWHUFJPLFBBM-VXGBXAGGSA-N 261.281 0.924 10 10 CCCE Nc1ccc(OCCCN2C[C@@H]3C[C@H]2[C@H](O)[C@H]3O)cc1 2354486220 VTCOJWDJEVDHOL-HJPIBITLSA-N 278.352 0.464 10 10 CCCE C[C@@H]1COCC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 1148590017 VMICPALNXQJZNN-VXNVDRBHSA-N 267.281 0.958 10 10 CCCE COCCNS(=O)(=O)Nc1ccc(O)cc1Cl 128809878 HRAXBVGNBBVVQT-UHFFFAOYSA-N 280.733 0.938 10 10 CCCE NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1F 135219893 OXGJNLVXPBOJDT-JTQLQIEISA-N 251.305 0.986 10 10 CCCE CC(C)(CNCc1ccc(O)c(O)c1O)C(N)=O 226762674 SGMVUBLTQINBJE-UHFFFAOYSA-N 254.286 0.405 10 10 CCCE CCCN(CCO)S(=O)(=O)Cc1ccc(N)cc1 40318342 GWWLALFYNSJOBA-UHFFFAOYSA-N 272.370 0.803 10 10 CCCE CS(=O)(=O)NCCCNCc1c(O)cccc1F 1964023342 LJJRPDZMVBUFPW-UHFFFAOYSA-N 276.333 0.560 10 10 CCCE CC[C@@](COC)(NC(=O)c1cccc(O)c1O)C(=O)O 381273043 DGCYTPDPAQFHQA-ZDUSSCGKSA-N 283.280 0.707 10 10 CCCE CN1CCCc2cc([C@@H](NN)c3nnn(C)n3)ccc21 2163157002 XGUULKJQOATTIV-GFCCVEGCSA-N 273.344 0.145 10 10 CCCE CNC(=O)[C@H]1CCCN1C(=O)c1cc(O)cs1 735523494 WZLRSVMARDXAAN-MRVPVSSYSA-N 254.311 0.804 10 10 CCCE CON1CC[C@@H](OC(=O)c2ccc(C)c(O)c2O)C1=O 922401628 RGZDRFDJEBUCLI-SECBINFHSA-N 281.264 0.725 10 10 CCCE CS(=O)(=O)N1CC[C@@H](C[C@H](O)Cc2ccc(N)cc2)C1 696495954 OYWMBVCYCSWTSD-GXTWGEPZSA-N 298.408 0.844 10 10 CCCE O=C(NC[C@@]1(CCO)CCOC1)c1cc(O)cs1 762569892 PUKHEOXHBCVFIY-GFCCVEGCSA-N 271.338 0.973 10 10 CCCE N[C@@H](CO)[C@@H]1CCN(c2ccc3c(c2)OCO3)C1 250034775 SNFZWEXKYGFRMO-KOLCDFICSA-N 250.298 0.561 10 10 CCCE COc1cccc(CNC(=O)Cc2nnc(N)s2)c1O 1137473637 PYCNNLSQLZHDMD-UHFFFAOYSA-N 294.336 0.693 10 10 CCCE CN(C)c1ccc(CNC(=O)[C@@H]2CO[C@H](CN)C2)cc1 713787877 DHBCJZIWUFCULF-JSGCOSHPSA-N 277.368 0.733 10 10 CCCE CN1CCN(c2c(F)cc(CN)cc2F)C[C@H]1CO 687611736 RCHSDGSZSZGRLM-JTQLQIEISA-N 271.311 0.536 10 10 CCCE CCN(CC(=O)OC)c1cc2c(cc1N)OCC(=O)N2 692395561 ZGWNRPKZDOJFFL-UHFFFAOYSA-N 279.296 0.599 10 10 CCCE Nc1ccc(OCC(=O)N2C[C@H]3C[C@H]2C[C@@H]3O)cc1 2115469056 BICKYKWBJSYHSM-CDMKHQONSA-N 262.309 0.629 10 10 CCCE Cc1ccc([C@@H](C)NCC(CO)(CO)CO)c(O)c1 2123234933 TVNTUPPLHJZULB-LLVKDONJSA-N 269.341 0.315 10 10 CCCE COCc1nn(C)cc1C(=O)NCc1cc(O)ccc1O 1176755071 LSCKPYDJYTWPCX-UHFFFAOYSA-N 291.307 0.908 10 10 CCCE CS(=O)(=O)CCCC(=O)NCc1cccc(O)c1O 1176566323 VWTCTXVWDKCRPP-UHFFFAOYSA-N 287.337 0.539 10 10 CCCE CN(C)[C@@H]1CN(c2ccc3c(c2)CC[C@@H]3O)C[C@H]1O 2128320336 BMWARZSJKRGZSF-QLFBSQMISA-N 262.353 0.777 10 10 CCCE CCN[C@@H](C)[C@@H](C)NC(=O)c1cc(O)c(O)c(O)c1 2132403519 KMMWQYXZHRXTSQ-JGVFFNPUSA-N 268.313 0.920 10 10 CCCE [N-]=[N+]=NC[C@H]1CCN(CC(=O)N2CCNC2=O)C1 1912164730 YDYFGVOCSDJWMQ-MRVPVSSYSA-N 252.278 0.170 10 10 CCCE CNCc1ccc(N2CC[C@H]3C[C@H]2[C@@H](O)[C@@H]3O)cc1 2134817696 SYXFKTVAXVBCSE-SPWCGHHHSA-N 262.353 0.726 10 10 CCCE N[C@H]1C[C@H](C(=O)O)CN(c2ccc3c(c2)OCO3)C1 108216502 JGTJGCWKQVOHCH-IUCAKERBSA-N 264.281 0.654 10 10 CCCE COc1nccc(C(=O)NCc2cccc(O)c2O)n1 1455313503 CANGRZFEDSKODF-UHFFFAOYSA-N 275.264 0.826 10 10 CCCE COc1cccc(O)c1CN1C[C@H](O)C[C@@H]1C(=O)O 2136109410 NBUYSCRSYYKQNU-PSASIEDQSA-N 267.281 0.421 10 10 CCCE O=C(O)[C@@H]1[C@H](O)[C@@H](O)CN1Cc1c(O)cccc1Cl 2136102221 NLAVONNGECLMEU-GARJFASQSA-N 287.699 0.036 10 10 CCCE Cc1ccc(O)c([C@@H](NCCN(C)C)C(=O)O)c1 211724250 QQJPXKRKRGCOSN-GFCCVEGCSA-N 252.314 0.978 10 10 CCCE COc1ccc(N2[C@@H](C)CN(C)C(=O)[C@H]2CN)cc1 216993341 HOVYVYZEDXJYKM-GXFFZTMASA-N 263.341 0.689 10 10 CCCE CCN[C@@H](c1ccccc1O)[C@@]1(O)CCCS(=O)(=O)C1 1922484426 DLEFOCDYZGJDML-UONOGXRCSA-N 299.392 0.983 10 10 CCCE COc1ccc(N(C)C[C@@H](O)CN)c(OC)c1C 258999709 NBHMADBCMWQHMJ-JTQLQIEISA-N 254.330 0.768 10 10 CCCE CC(=O)NC(C)(C)C(=O)NCc1c(O)cccc1O 1645363483 WWFKZVNLGLELCI-UHFFFAOYSA-N 266.297 0.629 10 10 CCCE COCC[C@](C)(O)CNCc1ccc(O)c(O)c1O 230197416 AEGGELRNXDSSQB-ZDUSSCGKSA-N 271.313 0.681 10 10 CCCE CNC(=O)[C@H]1COCCN1CCCc1ccc(N)cc1 122677319 OADQDWKSWYBIFL-CQSZACIVSA-N 277.368 0.648 10 10 CCCE O=C(CN1CCC(CO)CC1)NCc1c(O)cccc1O 1597574889 VEBNTHUDUGVBRT-UHFFFAOYSA-N 294.351 0.418 10 10 CCCE NCc1ccc(N2CCC[C@@H]3C(=O)NC[C@@H]32)c(F)c1 232278295 REHUFXXURKDBGC-GWCFXTLKSA-N 263.316 0.999 10 10 CCCE N[C@H](Cc1cc(O)c(O)c(Br)c1)C(=O)O 13346923 OMWPFWUFNOXTBC-ZCFIWIBFSA-N 276.086 0.815 10 10 CCCE COc1cc(N2CC[C@@H](CC(N)=O)C2)ccc1CO 2139700571 LJQTVDXBQLRPLL-JTQLQIEISA-N 264.325 0.889 10 10 CCCE O=C1NC[C@@]2(CCN(Cc3ccc(F)cc3O)C2)N1 2139794942 UUIGQWOFUKFFEK-CYBMUJFWSA-N 265.288 0.789 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1C[C@H]2[C@@H](O)CC[C@H]2C1 124831942 CDNBNCOKHKWQFY-SFGNSQDASA-N 264.281 0.336 10 10 CCCE COCC(O)(CNCc1c(C)cccc1O)COC 1875696890 POBNXPFYQJXWGY-UHFFFAOYSA-N 269.341 0.814 10 10 CCCE NC[C@@H]1C[C@@H](CNC(=O)Nc2ccc(N)cc2)CO1 1876164148 CWWGWNUCNXPHAO-CABZTGNLSA-N 264.329 0.754 10 10 CCCE Nc1ccc(CS(=O)(=O)NC[C@]23CNC[C@@H]2C3)cc1 1876463515 RAOSNFRYRFHCHQ-AAEUAGOBSA-N 281.381 0.298 10 10 CCCE C[C@@H]1NCCN(S(=O)(=O)Cc2ccc(N)cc2)[C@H]1C 1876531488 OGMRVQFIHFLRSP-QWRGUYRKSA-N 283.397 0.781 10 10 CCCE OC[C@@H](C[C@H]1CCOC1)NCc1ccc(O)cc1O 1883201746 LEYULSWTCSDFPX-ZYHUDNBSSA-N 267.325 0.975 10 10 CCCE N[C@]1(C(=O)NCCc2ccc(O)c(O)c2)CC[C@H]2C[C@@H]21 1968739220 MQGSMYBSIUUEFA-ZIBATOQPSA-N 276.336 0.884 10 10 CCCE Cn1cnc(CCNS(=O)(=O)Cc2ccc(N)cc2)n1 148612832 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269.253 0.679 10 10 CCCE CCOc1cc(CC(=O)O)cc([C@H](N)CO)c1O 72199228 GUCJLCMIWWATMP-SECBINFHSA-N 255.270 0.410 10 10 CCCE C[C@H]1CO[C@H](CO)CN1C(=O)Cc1ccc(O)c(O)c1 1466040712 YELNBZFQXNZEAE-ONGXEEELSA-N 281.308 0.249 10 10 CCCE COc1cc2c(cc1OC)N([C@@H](C)C(N)=O)CCN2 76895220 AOXYDCSKSZUULB-QMMMGPOBSA-N 265.313 0.810 10 10 CCCE CN[C@@H](C)c1nnc([C@@H](N)c2ccc(O)cc2O)o1 83463240 JPVVUZFQWCWIRL-WKEGUHRASA-N 264.285 0.809 10 10 CCCE N[C@@H](c1nnc(-c2cc[nH]n2)o1)c1cc(O)ccc1O 83536943 OAROGUZCYHDNOA-SNVBAGLBSA-N 273.252 0.919 10 10 CCCE Nc1ccnn1CC(=O)NCc1cccc(O)c1O 1303195606 XHQDBBFJGHYCTD-UHFFFAOYSA-N 262.269 0.193 10 10 CCCE O=C(N[C@@H]1CC[C@H](O)C1)[C@H]1CNc2ccccc2N1 2121474857 NRYVXPKYPSOUED-GBIKHYSHSA-N 261.325 0.922 10 10 CCCE C[C@H](Cn1ccc2c(c1=O)CNCC2)N1CCCC1 2132194301 FMSFFFMPYUOLPX-GFCCVEGCSA-N 261.369 0.978 10 10 CCCE CN(C[C@H](O)C1CC1)C(=O)c1cc(O)c(O)c(O)c1 2132350081 KGCHIRRJWFXNCB-NSHDSACASA-N 267.281 0.646 10 10 CCCE COC[C@@H](C)NC(=O)CN1CCC[C@H](N=[N+]=[N-])C1 1912149796 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CN(C(=O)CN1CC[C@](C)(O)C1)c1ccc(N)cc1 234258097 LJBDPKYHDXHEOD-AWEZNQCLSA-N 263.341 0.688 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCN([C@@H]2CC(CO)(CO)C[C@H]2O)C1 2141449259 BHUIVNOLVNNYJA-HBNTYKKESA-N 270.333 0.113 10 10 CCCE COC[C@H](N)CN(C)C(=O)c1ccc(O)c(O)c1 234741922 VQEWCAXTGITNQP-SECBINFHSA-N 254.286 0.144 10 10 CCCE CN(CCCCO)C(=O)Cc1ccc(O)c(O)c1 1296457844 PYVMZKPMPBIYNU-UHFFFAOYSA-N 253.298 0.871 10 10 CCCE NCCOCCCNC(=O)COc1ccc(N)cc1 1876423219 KOPSEEAIXAZXPM-UHFFFAOYSA-N 267.329 0.129 10 10 CCCE CONCCCNC(=O)CCOc1ccc(N)cc1 1876522702 DSGLVWOIFARCOH-UHFFFAOYSA-N 267.329 0.695 10 10 CCCE Cc1cc(O)nc(=NCc2ccc(O)c(O)c2O)[nH]1 1877938973 VQSWMDZUZOWETK-UHFFFAOYSA-N 263.253 0.641 10 10 CCCE COC[C@@H]1CCN(C(=O)Cc2ccc(N)cc2)C1=O 1879220420 DBGQGLGYGNWXLZ-NSHDSACASA-N 262.309 0.833 10 10 CCCE CS(=O)(=O)N1CCN(CCc2ccc(N)cc2)CC1 19680501 CIAMYUZPHXCWRO-UHFFFAOYSA-N 283.397 0.389 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@@H](CCO)C1 1963565939 SKFLXMOXSWDLQL-JTQLQIEISA-N 265.309 0.871 10 10 CCCE CN(C(=O)Cc1ccc(O)c(O)c1)C1CC(C(=O)O)C1 2144020066 RSGCEQPRDSZBMU-UHFFFAOYSA-N 279.292 0.962 10 10 CCCE CCOC[C@H](O)CNC(=O)Cc1ccc(O)c(O)c1 1969428206 VAHSFBXJCZSZTF-SNVBAGLBSA-N 269.297 0.154 10 10 CCCE O=C1Nc2cc(N3C[C@H]4C[C@@]3(CO)CO4)ccc2[C@H]1O 2151008217 IGQSTGHUOFAJND-GAJTVXKRSA-N 276.292 0.012 10 10 CCCE CN(C(=O)CN1C[C@@H]2C[C@@]2(CO)C1)c1ccc(N)cc1 2146310943 NXDKIYOZPHHTOO-NHYWBVRUSA-N 275.352 0.546 10 10 CCCE CC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1C(=O)O 2151512658 WPECRKKVIBLMSI-HQJQHLMTSA-N 280.280 0.818 10 10 CCCE CN(CCn1ccc2c(c1=O)CNCC2)CC(F)(F)F 2155074204 HCUWEZJUHOKCOH-UHFFFAOYSA-N 289.301 0.988 10 10 CCCE CC(C)(CN)NS(=O)(=O)Cc1ccc(N)cc1 2016966698 RJVWTDGDJYWJGC-UHFFFAOYSA-N 257.359 0.426 10 10 CCCE Cc1cccc(CNS(=O)(=O)C2CNC2)c1O 2024812355 QOYKGXYVDKBIHM-UHFFFAOYSA-N 256.327 0.092 10 10 CCCE CC[C@@]1(CNC(=O)c2cc(O)nc(O)c2)CCCN1 311321616 AFSVNZLGAIYHJF-ZDUSSCGKSA-N 265.313 0.755 10 10 CCCE O=C(N[C@@H]1CC[C@@H]2CNC[C@H]21)c1ccc(O)c(O)c1 311578817 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NC[C@H](NC(=O)c1cc(O)c(O)c(O)c1)C1CC1 2068614733 IFUOYWBUJHFRMO-QMMMGPOBSA-N 252.270 0.271 10 10 CCCE OC[C@@H](O)C1(NCc2ccc(F)c(F)c2O)CC1 2069745546 BKUDFFUKAYWNDU-SECBINFHSA-N 259.252 0.646 10 10 CCCE Nc1cccc(C(=O)O)c1N[C@@H]1CCOC[C@H]1N 2071693786 FOBZQCZXKMZWCK-NXEZZACHSA-N 251.286 0.495 10 10 CCCE N[C@@H]1CC(C(=O)N(CC(=O)O)c2ccccc2)=C[C@H]1O 2188022113 OXLPBQIWTBOQQD-VXGBXAGGSA-N 276.292 0.123 10 10 CCCE O=C(N[C@@H]1C[C@H]2C[C@H]1C[C@H]2O)c1cc(O)nc(O)c1 2104409557 YQBAXHHTIFISQC-MVHNUAHISA-N 264.281 0.382 10 10 CCCE CON(C)C1CN(CC(=O)c2ccc(O)c(O)c2)C1 2088383145 MTBUGBLBXJVAIA-UHFFFAOYSA-N 266.297 0.458 10 10 CCCE CCOc1cccc(CN[C@@H]2COC[C@H]2CO)c1O 2090324107 GTPNXHYBTMXUDG-VXGBXAGGSA-N 267.325 0.888 10 10 CCCE O=C(N[C@H]1[C@H]2NCCCC[C@H]21)c1cccc(O)c1O 2090518680 VUWURXUBBFSDIC-JFUSQASVSA-N 262.309 0.968 10 10 CCCE O=C(NC[C@@H]1COCCCO1)c1cccc(O)c1O 2097715322 WQLJUAGUBIDZCH-SECBINFHSA-N 267.281 0.633 10 10 CCCE NC[C@H]1C[C@@](F)(CNC(=O)c2cccc(O)c2O)C1 2112391715 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CCCE CN1C(=O)C(=CNC2CCCC2)C(=O)NC1=S 2297365987 DLPDUGLRPRNPNP-UHFFFAOYSA-N 253.327 0.276 10 10 CCCE OC[C@@H]1CN(c2ccc3c(c2)OCCCO3)C[C@H]1O 1145086656 GLFUYFLJVFSWIM-CMPLNLGQSA-N 265.309 0.637 10 10 CCCE Cc1cc(CO)ccc1N1C[C@H]2C[C@H](O)[C@H](O)[C@@H]1C2 2330386550 OXMRFBKIDWKQRR-UQOMUDLDSA-N 263.337 0.808 10 10 CCCE O=C1Nc2cc(N3CC[C@H]4[C@@H](O)C[C@H]43)ccc2[C@@H]1O 2330892822 VNFYEKHVEOSSKK-XEZLXBQYSA-N 260.293 0.632 10 10 CCCE Cc1cc(CO)ccc1N1CC[C@@H]2C[C@H]1[C@@H](O)[C@@H]2O 2332589164 QUCMOIJPBQABIT-FAAHXZRKSA-N 263.337 0.808 10 10 CCCE Cc1c([C@H](C)N)ccc(N2CC(=O)NC(=O)C2)c1C 2340862311 UIJHYKUOOFJAAB-JTQLQIEISA-N 261.325 0.786 10 10 CCCE Oc1cc2c(cc1O)CN(C[C@H]1COCCO1)CC2 2341214843 PONLUOHGPKHWNY-LBPRGKRZSA-N 265.309 0.871 10 10 CCCE COc1ccc(CNC[C@@]2(O)CCOC2)c(O)c1 229638220 KNCSFLNXMXIFTR-ZDUSSCGKSA-N 253.298 0.642 10 10 CCCE NC[C@H]1CCCN(C(=O)c2cccc(O)c2O)C1 125948748 OMMCDBOVWOQOEO-SECBINFHSA-N 250.298 0.909 10 10 CCCE CNC(=O)CN1CCC(NCc2cccc(O)c2O)CC1 41117088 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O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCCOC1 1556876241 DOLCFJUPHFZCED-JTQLQIEISA-N 251.282 0.936 10 10 CCCE Cn1cc([C@@H](O)C(=O)NCc2c(O)cccc2O)cn1 1635847107 HSHFUOLREVFIKY-GFCCVEGCSA-N 277.280 0.181 10 10 CCCE O=C(NC[C@@H]1[C@@H]2CCNC[C@H]21)c1ccc(O)c(O)c1 2138560523 MAFMDUJWVDTKSK-GMTAPVOTSA-N 262.309 0.683 10 10 CCCE CNC(=O)[C@@H]1CCCN(Cc2cc(N)ccc2O)C1 232278888 KKMCUECSXHLFBG-SNVBAGLBSA-N 263.341 0.932 10 10 CCCE Cc1ccc(O)c(CNC(=O)NCc2nnc(O)n2C)c1 1684772547 KRBPMLYTQRNHJM-UHFFFAOYSA-N 291.311 0.534 10 10 CCCE C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cccc(O)c1O 126330281 HKMLUMSEQQGRCE-RKDXNWHRSA-N 278.308 0.824 10 10 CCCE C[C@H]1CCNCCN1S(=O)(=O)Cc1ccc(N)cc1 1876464658 DGTFECXQYFSEJJ-NSHDSACASA-N 283.397 0.782 10 10 CCCE C[C@@H]1CNC[C@@H]1CNS(=O)(=O)Cc1ccc(N)cc1 1876410590 FOWHLHJHZUZMTM-ZYHUDNBSSA-N 283.397 0.544 10 10 CCCE N[C@H](CCF)C(=O)NCCc1ccc(O)c(O)c1 1968738619 BZYZARWSQAMYIN-SECBINFHSA-N 256.277 0.443 10 10 CCCE C[C@H](C(=O)NCc1ccccc1O)N1CCNCC1 1969155673 ZOLXVBSHZXLRHR-LLVKDONJSA-N 263.341 0.302 10 10 CCCE COC(=O)C[C@H](N)c1cc(C(=O)OC)c(O)cc1O 260115921 DYEMIMJCJZRTCM-QMMMGPOBSA-N 269.253 0.447 10 10 CCCE CCOC(=O)C[C@@H](N)c1ccc(S(C)(=O)=O)cc1O 260749691 RTVQMQMMDYYNJU-SNVBAGLBSA-N 287.337 0.749 10 10 CCCE CCNCc1ccc(N2CCOC[C@H]2[C@H](O)CO)cc1 2146334656 PISBALCBRXSLPT-LSDHHAIUSA-N 280.368 0.355 10 10 CCCE CN(C)C(=O)CCNC(=O)CCOc1ccc(N)cc1 40306079 AAKQKQJHJCCLQI-UHFFFAOYSA-N 279.340 0.632 10 10 CCCE CCN1CCO[C@H](CNCc2cccc(O)c2O)C1 165898877 SBDMITKPZUXBNL-GFCCVEGCSA-N 266.341 0.908 10 10 CCCE NCc1ccc(N2C[C@H]3C[C@@]2(CO)CO3)c(F)c1 2033613845 ORORQDSXJITBFZ-ZWNOBZJWSA-N 252.289 0.624 10 10 CCCE Nc1ccc(CCN2CC[C@@H]3C(=O)NC(=O)[C@H]3C2)cc1 2158780577 JALFUKYAYJQROM-STQMWFEESA-N 273.336 0.406 10 10 CCCE COC[C@@H](N[C@@H]1CCc2cccc(O)c21)C(N)=O 2034941162 PHNNBICWTMKIRK-NXEZZACHSA-N 250.298 0.469 10 10 CCCE CC1(CNCc2ccc(O)c(O)c2)CS(=O)(=O)C1 2035353660 APHMIYKZFNZHIZ-UHFFFAOYSA-N 271.338 0.622 10 10 CCCE CCNC1CN(C(=O)Cc2ccc(O)c(O)c2)C1 2035788593 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Cc1cc(N2CC[C@@](O)(CN(C)C)C2)ccc1CO 713709895 FHVQBSDMKUZOQD-OAHLLOKOSA-N 264.369 0.990 10 10 CCCE CN(C(=O)CN1C[C@@H]2C[C@@H]2C1=O)c1ccc(N)cc1 715639092 FJAYVYJVHITNGA-CABZTGNLSA-N 259.309 0.710 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3C[C@H]4C[C@H]3C[C@@H]4O)ccc21 2172092226 IZTDGPUMRVXIGU-WNIABHAQSA-N 273.336 0.859 10 10 CCCE CN1CCc2cc([C@@H](CN)N3CC(N(C)C)C3)ccc21 394425881 TYPBTCKHCRONGJ-MRXNPFEDSA-N 274.412 0.925 10 10 CCCE O=C(NCc1csnn1)c1cccc(O)c1O 398320518 GQEJFNBVNOZQPI-UHFFFAOYSA-N 251.267 0.879 10 10 CCCE NCc1ccc(N2C3COCC2COC3)c(F)c1 399767409 JITJDUZTWGUFKI-UHFFFAOYSA-N 252.289 0.888 10 10 CCCE O=C([C@@H]1CNc2ccccc2N1)N1CCOC[C@@H](O)C1 399968663 QBNWEXKZWNVENN-GWCFXTLKSA-N 277.324 0.112 10 10 CCCE O=C(N[C@H](C(=O)O)[C@@H]1CCCO1)c1cccc(O)c1O 2172511400 KDSAQKJPJXZTFV-UWVGGRQHSA-N 281.264 0.460 10 10 CCCE NCc1ccc(N2C[C@H]3C[C@@H](O)[C@@H](O)[C@H]2C3)c(F)c1F 2173317042 ILNNMFYYDJFZBZ-YRDLKWHLSA-N 284.306 0.744 10 10 CCCE O=C(N[C@@H]1CC[C@@H]2C[C@]21C(=O)O)c1cc(O)nc(O)c1 2177749705 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CO[C@@H](C)[C@H](C)NC(=O)c1cc(O)c(O)c(O)c1 2068616627 CBKNWKBIWYSSCY-BQBZGAKWSA-N 255.270 0.957 10 10 CCCE C[C@H]1CN(S(=O)(=O)Cc2ccc(N)cc2)C[C@H]1N 2071574610 OQRJJRSNUPNUIY-JOYOIKCWSA-N 269.370 0.378 10 10 CCCE OCc1ccc(N2CCO[C@@H]3COC[C@@H]32)c(F)c1 2072508172 XQMRTFMONQZMLK-QWHCGFSZSA-N 253.273 0.922 10 10 CCCE C[C@@H](CCS(C)(=O)=O)Nc1c(N)cccc1C(N)=O 2104457993 DQMMQLSIUOFMLE-QMMMGPOBSA-N 285.369 0.603 10 10 CCCE [N-]=[N+]=NC1CCN(S(=O)(=O)N2CCC[C@@H]2CO)CC1 2105536272 JDKLKMGQKMLWIR-SNVBAGLBSA-N 289.361 0.463 10 10 CCCE CN(C)c1ccc([C@@H](N)[C@]2(O)CN3CC[C@H]2C3)cc1 2106849468 WOKJEFBBKCWYSQ-CFVMTHIKSA-N 261.369 0.819 10 10 CCCE NC(=O)CO[C@@H]1CCN(CCc2ccc(N)cc2)C1 2089136066 UDMLGBYLBJXPRM-CYBMUJFWSA-N 263.341 0.388 10 10 CCCE C[C@H](N)c1ccc(N2C[C@H](CO)C[C@@H]2CO)cc1O 2089864781 XSJZEZVNLJDDIO-HOSYDEDBSA-N 266.341 0.591 10 10 CCCE Nc1ccc(OCC(=O)N2C[C@H]3C[C@@]3(CO)C2)cc1 2090117521 XHQGWTXPTDTYHO-YGRLFVJLSA-N 262.309 0.488 10 10 CCCE CN1CCc2cc([C@@H](O)C(=O)[C@H]3C=CCN3)ccc21 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CN(C)c1ccc(O[C@@]2(C(=O)O)CCOC[C@H]2N)cc1 2237686273 BWMMYWHUBIZOGE-OCCSQVGLSA-N 280.324 0.702 10 10 CCCE COc1ccc(N2C[C@H]3C[C@H]2[C@@H](O)[C@@H]3O)c(CN)c1 2227680115 SDUPDOUZUNSALG-GJQVQUKXSA-N 264.325 0.084 10 10 CCCE Cc1cc(N2CC(O)(C(N)=O)C2)ccc1[C@H](C)O 2257480176 OKGXDBQBTKBAMR-VIFPVBQESA-N 250.298 0.085 10 10 CCCE O=C(N[C@H]1CCNCC1(F)F)c1cc(O)nc(O)c1 2264453157 UACYPZGPZGJCLP-ZETCQYMHSA-N 273.239 0.220 10 10 CCCE Nc1cc2c(cc1N1CC[C@@H](O)[C@H](O)CC1)OCCO2 2284564382 XVLVQENULNOQND-VXGBXAGGSA-N 280.324 0.362 10 10 CCCE C[C@@]1(NC(=O)[C@H]2CNc3ccccc3N2)CCNC1=O 2289014522 CDGAXOQKWKDNRE-BXUZGUMPSA-N 274.324 0.287 10 10 CCCE C[C@H](N)c1ccc(N2C[C@H]3CS(=O)(=O)[C@@H]3C2)cc1 2314885049 GBZCRVRRTGDKFG-XHVZSJERSA-N 266.366 0.940 10 10 CCCE Nc1ccc(OCCC(=O)N2CCNC(=O)CC2)cc1 62100054 DWOBZLLMRBQDIV-UHFFFAOYSA-N 277.324 0.386 10 10 CCCE C[C@H](NCC[C@@H](O)CCO)c1ccc(O)cc1O 2326774748 KHNPMFZZHFJEHL-VHSXEESVSA-N 255.314 0.882 10 10 CCCE Nc1ccc(OCCNS(=O)(=O)C(F)F)cc1 38079612 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1893303482 ZMNLCSURRLQMKW-ZNMIVQPWSA-N 262.353 0.955 10 10 CCCE COc1ccc(N2CCN(C[C@H](O)[C@H](C)O)CC2)cc1 929152803 DXRMGLFFWUTPDF-WFASDCNBSA-N 280.368 0.559 10 10 CCCE C[C@@H]1OCC[C@H]1S(=O)(=O)NCCc1ccc(N)cc1 842821620 ODLNJVYGIIRISW-GXFFZTMASA-N 284.381 0.908 10 10 CCCE COCCN1C(=O)C[C@H](N)[C@@H]1c1ccc(N(C)C)cc1 62210340 UBMPSJMSVIGORB-ZFWWWQNUSA-N 277.368 1.000 10 10 CCCE CN(Cc1ccccc1O)C(=O)CCc1nn[nH]n1 866597335 QVALTPKAMBVKCR-UHFFFAOYSA-N 261.285 0.497 10 10 CCCE CN1CCOC[C@@H]1CNC(=O)/C=C\c1ccc(O)c(O)c1 862972287 ZLYJLIYIYHACBS-FHMRSRPSSA-N 292.335 0.558 10 10 CCCE COCCNC(=O)CN1C[C@@H](C)Oc2cc(CN)ccc21 74337087 HGVGRUJNOQNCKG-LLVKDONJSA-N 293.367 0.495 10 10 CCCE CS(=O)(=O)[C@@H]1CCC[C@]1(NCCCN=[N+]=[N-])C(N)=O 90260654 NVJCHAREGJUIHN-PSASIEDQSA-N 289.361 0.098 10 10 CCCE Cc1ccc(O)c([C@H](N)C(=O)NC[C@@H]2CCCO2)c1 83478181 HUICAWRJBNDJCD-GWCFXTLKSA-N 264.325 0.996 10 10 CCCE CCN(C)C(=O)[C@@H](C)NC(=O)Cc1ccc(O)c(O)c1 1139697331 GWNKHIJZTKTPON-SECBINFHSA-N 280.324 0.623 10 10 CCCE COC(=O)[C@@H](C)N1CCN(c2ccc(N)cc2)CC1 59211954 GXFZDBPMDZBMAN-LLVKDONJSA-N 263.341 0.952 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3CCSC[C@H]3CCO)ccc21 689757252 YHRLEOPLJRUUDX-ZWNOBZJWSA-N 293.392 0.943 10 10 CCCE COC(=O)C1(NCCN=[N+]=[N-])C[C@@H]2CC[C@H](C1)N2 686142806 KTVUDGDBHYLQFL-SLHIUPAKSA-N 253.306 0.713 10 10 CCCE C[C@H](c1ccc(O)cc1O)N1CCO[C@H]2CNC[C@@H]21 686535750 GLUUZROTAAZDJK-LQJRIPTKSA-N 264.325 0.831 10 10 CCCE NCCCN(CC(F)(F)F)C(=O)c1cc(O)nc(O)c1 714383388 YSEDKFIRUWSIRU-UHFFFAOYSA-N 293.245 0.846 10 10 CCCE Nc1ccc(OC[C@H](O)CN2C[C@@H]3COC[C@H]3C2)cc1 718196710 YSAXGYLBGCVUHQ-YRGRVCCFSA-N 278.352 0.587 10 10 CCCE CCN(C[C@H](C)O)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 691414319 HEBBRNMCFFVXOB-ONGXEEELSA-N 282.340 0.197 10 10 CCCE C[C@H]1COC[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 699737413 AEWMXWQXMXRXSY-LSJOCFKGSA-N 280.324 0.119 10 10 CCCE CO[C@H](CN)CC(=O)N[C@@H](C)c1ccccc1O 870988418 OWGKKSKQPCSHHE-UWVGGRQHSA-N 252.314 0.933 10 10 CCCE C[C@H](O)c1ccc(N2[C@H]3CC[C@H]2C(=O)NC3)cc1O 2115749461 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NC[C@@H](F)C1CC(NC(=O)c2cccc(O)c2O)C1 1907282978 ITZXTVPYOWNINX-SFVIPPHHSA-N 268.288 0.903 10 10 CCCE COc1ccc(N2[C@@H](C)CNC(=O)[C@@H]2CCN)cc1 216991510 PUCAEBDBGRXVPF-GWCFXTLKSA-N 263.341 0.737 10 10 CCCE C[C@@H](NC[C@]1(O)CCOC1)c1c(O)cccc1O 227120244 HTRQPFUQUPUHHE-NOZJJQNGSA-N 253.298 0.900 10 10 CCCE C[C@H]1CCN(S(=O)(=O)Cc2ccc(N)cc2)[C@@H]1CO 226897002 ACXLIELIVXLERI-GXFFZTMASA-N 284.381 0.801 10 10 CCCE O=C(Cc1nc2ncccn2n1)NCc1ccc(O)cc1O 1557084981 WWGUGWRVAWRMED-UHFFFAOYSA-N 299.290 0.394 10 10 CCCE COC[C@@H](O)CCNS(=O)(=O)Cc1ccc(N)cc1 230113397 PPTIIBBKLPZAHM-LBPRGKRZSA-N 288.369 0.086 10 10 CCCE CNC(=O)[C@@H]1CCCN1c1ccc(CO)c(OC)c1 2139704400 KYSNFYXFQCKFGK-LBPRGKRZSA-N 264.325 0.902 10 10 CCCE Cn1cnnc1CCNCc1cccc(F)c1O 158768170 MNSQWWPQNPNKJA-UHFFFAOYSA-N 250.277 0.992 10 10 CCCE CNCc1ccc(N2CC(=O)NC(=O)C2)c(Cl)c1 164079430 HPUWUHDKLLDUMG-UHFFFAOYSA-N 267.716 0.522 10 10 CCCE CC(=O)c1ccc(O)c(CN2CCO[C@H](CO)C2)c1 168202325 ATPDWMNDAWEYTB-ZDUSSCGKSA-N 265.309 0.788 10 10 CCCE O=C(O)CC[C@@H]1C(=O)NN(c2cccc(F)c2)C1=O 106667284 YIBGLQGOFPGPKC-SECBINFHSA-N 266.228 0.685 10 10 CCCE CN(C)[C@H]1CS(=O)(=O)C[C@H]1Oc1ccc(N)cc1 31977568 KQEVTVDBWWAIAY-NWDGAFQWSA-N 270.354 0.375 10 10 CCCE COCC[S@](=O)CCNCc1cccc(OC)c1O 2142036063 VVCDVBXQHLCJBP-LJQANCHMSA-N 287.381 0.886 10 10 CCCE Nc1ccc(OCCC(=O)N2C[C@@H]3C[C@@]3(N)C2)cc1 1876484217 QWXAQCPCYIAVSQ-IINYFYTJSA-N 261.325 0.597 10 10 CCCE C[C@H](c1ccccc1O)N(C)[C@H]1CS(=O)(=O)C[C@@H]1O 1877533725 WWYLUXMFJGTHQE-CDMKHQONSA-N 285.365 0.543 10 10 CCCE NC(=O)[C@@H](NC(=O)c1cccc(O)c1O)C1CC1 1965175463 NUMCWEIPIYZFKW-VIFPVBQESA-N 250.254 0.092 10 10 CCCE C[C@H](NC[C@@H]1CCS(=O)(=O)N1)c1ccccc1O 1967533351 QDAYPJRDDCASPL-UWVGGRQHSA-N 270.354 0.735 10 10 CCCE Cc1csc(=O)n1CCn1ccc2c(c1=O)CNCC2 2150796967 FBGOGMUHHLRUFR-UHFFFAOYSA-N 291.376 0.726 10 10 CCCE CCN1CCC[C@@H]([C@H](O)Cc2ccc(N)cc2)S1(=O)=O 2145756032 ALWOOORFFLUIHZ-KGLIPLIRSA-N 298.408 0.986 10 10 CCCE C[C@@H]1C[C@H]1CNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 159270864 CIZLDHBJVUDMRD-MIMYLULJSA-N 264.325 0.740 10 10 CCCE O=C1Nc2cc(N3C[C@@H](O)C4(CC4)C3)c(F)cc2[C@@H]1O 2149754829 QGMHJCFFWRRIJX-NEPJUHHUSA-N 278.283 0.772 10 10 CCCE COC[C@]1(O)CCN(c2ccc3c(c2)NC(=O)[C@H]3N)C1 2151887190 BXONQYYVSFDVMA-JSGCOSHPSA-N 277.324 0.226 10 10 CCCE Cc1noc(CNC(=O)COc2ccc(N)cc2)n1 40335948 DKZVOBXPCGNHNB-UHFFFAOYSA-N 262.269 0.655 10 10 CCCE C[C@H](NS(=O)(=O)C[C@@H](C)N)c1ccccc1O 2017525878 WGDZLTJAUFNYTK-BDAKNGLRSA-N 258.343 0.720 10 10 CCCE C[C@H]1CCN(c2ccc(CN)c(F)c2)[C@@H]1C(N)=O 2029775967 CJYSUIAJGAIPIT-UFBFGSQYSA-N 251.305 0.985 10 10 CCCE CCN1C[C@H](O)[C@H](N2CCCc3cc(CN)ccc32)C1 2156954158 DGLKFHJPEDXRAV-CVEARBPZSA-N 275.396 0.963 10 10 CCCE [N-]=[N+]=NCCCNC1(C(N)=O)C[C@H]2COC[C@@H]2C1 2038593643 KIFKHSCVSVETOT-IUCAKERBSA-N 253.306 0.557 10 10 CCCE CN1CCOC[C@H]1CNCc1cccc(O)c1O 700144505 TWJXNIMSULAAPD-LLVKDONJSA-N 252.314 0.518 10 10 CCCE COc1cccc(O)c1CNC[C@@H]1C[C@H](C(=O)O)CO1 2160712391 HZDXEWJNICOWFZ-UWVGGRQHSA-N 281.308 0.980 10 10 CCCE C[C@H](O)c1ccc(N2CCN(CC(N)=O)CC2)cc1O 700784918 YRVPMHJDBOYJMY-JTQLQIEISA-N 279.340 0.053 10 10 CCCE CCN1CCN(CC(=O)Nc2ccc(N)cc2)C(=O)C1 2171183694 MDCODLFIPZJDLO-UHFFFAOYSA-N 276.340 0.371 10 10 CCCE C[C@@H](c1c(O)cccc1O)N1CCN(C)[C@@H](C(=O)O)C1 686104344 HQJRBDCBPVILMU-VHSXEESVSA-N 280.324 0.859 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC2(CCCNC2)C1 709809945 VEKQKYABDJKKCX-UHFFFAOYSA-N 263.297 0.318 10 10 CCCE CN(C(=O)c1cccc(O)c1O)C1CCS(=O)(=O)CC1 710602198 RMKHHLGQTMSQMY-UHFFFAOYSA-N 299.348 0.747 10 10 CCCE COc1cc(N)c(N2C[C@@H](OC)C[C@H]2CO)cc1OC 380665225 UVAYUUPELTWYLV-UWVGGRQHSA-N 282.340 0.872 10 10 CCCE COCCNS(=O)(=O)N1CCC[C@@H]1CN=[N+]=[N-] 692805171 CUSQRBBXJVONGP-MRVPVSSYSA-N 263.323 0.242 10 10 CCCE C[C@@]1(CO)CCN(C(=O)c2cccc(O)c2O)C1 381770721 PWFHBQBFRHHVLX-CYBMUJFWSA-N 251.282 0.942 10 10 CCCE O=S(=O)(C[C@H]1CCNC1)NCc1ccccc1O 722220126 QADCUFHMNQLJLY-JTQLQIEISA-N 270.354 0.421 10 10 CCCE CCNC(=O)NCCNCc1ccc(O)c(O)c1O 394053530 YJWVAWHDODQWNR-UHFFFAOYSA-N 269.301 0.212 10 10 CCCE CN(CCC(=O)Nc1ccc(N)cc1)CC[S@](C)=O 398891727 IAMNRWPBDBWHCT-IBGZPJMESA-N 283.397 0.908 10 10 CCCE Cc1cc(O)n2ncc(C(=O)NCCC3(O)CCC3)c2n1 2062887067 XAKMHADVMFBKNI-UHFFFAOYSA-N 290.323 0.778 10 10 CCCE CC[C@H](NC(=O)c1cnn2c(O)cc(C)nc12)[C@H](C)O 2063158560 DZLBETSZMGJFGU-WPRPVWTQSA-N 278.312 0.633 10 10 CCCE Cc1cc(O)n2ncc(C(=O)NC[C@H]3CCCOC3)c2n1 2063953887 LVFALJLPMZFMOZ-SNVBAGLBSA-N 290.323 0.900 10 10 CCCE Nc1ccc(OCCN2C[C@@H]3OC[C@H](CO)[C@@H]3C2)cc1 2178085060 CLMTTYCTOCVZNE-CQDKDKBSSA-N 278.352 0.587 10 10 CCCE C[C@H](N[C@@H]1CCn2nnnc2C1)c1cc(O)ccc1O 2175911708 HTTMHFBGLHBSFN-DTWKUNHWSA-N 275.312 0.750 10 10 CCCE OC[C@@H](C[C@H]1CCOC1)NCc1ccc(O)c(O)c1O 2195460516 HKEQLZSIEQPTAG-MWLCHTKSSA-N 283.324 0.681 10 10 CCCE CC1(C)C[C@H](O)[C@@H](O)CN1CCOc1ccc(N)cc1 2188629972 JFVWLJHAZSDKBW-KBPBESRZSA-N 280.368 0.854 10 10 CCCE C[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)C[C@H](CO)O1 2188868704 VQRHYBSOQDQOJR-VXNVDRBHSA-N 283.280 0.025 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCN1CC(=O)N1CCNC1=O 2059053726 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C[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C[C@H]1N 2087730486 ZACPYBOPTNFWBW-MWLCHTKSSA-N 264.325 0.836 10 10 CCCE COC(=O)c1cccc(N)c1N[C@H]1COCC[C@@H]1O 2108723184 WCQBQQUVAKADRH-QWRGUYRKSA-N 266.297 0.617 10 10 CCCE C[C@@](O)(CO)[C@H]1CCN(C(=O)Nc2ccc(N)cc2)C1 2202854977 XTMZUOUMADNRPZ-IINYFYTJSA-N 279.340 0.866 10 10 CCCE O=C(NC[C@@H]1[C@H]2CCNC[C@H]21)c1cc(O)c(O)c(O)c1 2203331315 WHTXORSOJRPLLC-IVZWLZJFSA-N 278.308 0.389 10 10 CCCE CCc1nc(=NC(=O)CCc2ccc(N)cc2)n(C)[nH]1 2205714133 AKUNXOKNXSXDPF-UHFFFAOYSA-N 273.340 0.953 10 10 CCCE Nc1ccc(CCO[C@@H]2CC(CO)(CO)C[C@H]2O)cc1 2206381526 VPUQFOQKCSGZDH-ZIAGYGMSSA-N 281.352 0.322 10 10 CCCE O=C(O)[C@H]1CCOCCN1Cc1ccc(O)cc1O 2269867506 OOMAEJLOPAPYDH-LLVKDONJSA-N 267.281 0.773 10 10 CCCE COc1ccc(N2C[C@H]3CCS(=O)(=O)[C@H]3C2)c(CN)c1 2235970475 QERORJSBTTXAKI-YGRLFVJLSA-N 296.392 0.777 10 10 CCCE CNC(=O)[C@H](C)CN(C)c1ccc(OC)cc1CN 2227682995 SHCOIPIJXVINQO-SNVBAGLBSA-N 265.357 0.972 10 10 CCCE Cc1nnc(NC(=O)c2cc(O)c(O)c(O)c2)n1C 2272927603 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COc1ncc([C@H](NCCN=[N+]=[N-])C(N)=O)s1 310460136 APLZTUUTIKQRMJ-LURJTMIESA-N 256.291 0.578 10 10 CCCE CNC(=O)[C@H]1CCCN1CC(=O)N(C)c1ccc(N)cc1 42391325 FGYUMDDMWWTANX-CYBMUJFWSA-N 290.367 0.442 10 10 CCCE CC[C@](C)(O)CNC(=O)COc1ccc(N)cc1 87009053 AHYMBZORTJGPRX-ZDUSSCGKSA-N 252.314 0.925 10 10 CCCE CCN(CC(N)=O)CC(=O)c1ccc(O)c(O)c1 231823295 KMZOVPALZDZZTG-UHFFFAOYSA-N 252.270 0.088 10 10 CCCE C[C@@H](N)c1ccc(N2CC(=O)NC(=O)C2)c(F)c1 97268850 FUAFUCPJMTWWGD-SSDOTTSWSA-N 251.261 0.308 10 10 CCCE O=C(NC[C@@H](O)[C@H]1CCCO1)c1c(F)ccc(O)c1O 530273153 LCTXWUWNHFLVKA-NXEZZACHSA-N 285.271 0.507 10 10 CCCE CC(=O)C(=O)COC(=O)Cn1c(O)nc2ccccc21 808505653 JTTXUWFBXCAPSX-UHFFFAOYSA-N 276.248 0.443 10 10 CCCE CN(c1ccc2c(c1)NC(=O)[C@H]2N)[C@@H]1CCC[C@H]1O 709228994 WEUMQKWEVJXTJM-UPJWGTAASA-N 261.325 0.988 10 10 CCCE COC(=O)[C@@H](CN(C)c1ccc(CN)cc1)NC(C)=O 2162688470 FXFQSSUUCLWDSF-CYBMUJFWSA-N 279.340 0.259 10 10 CCCE Cc1c(CN[C@H]2CN(C)NC2=O)n(C)c2ccccc12 393902528 QAPIEDXQOHNVDJ-LBPRGKRZSA-N 272.352 0.922 10 10 CCCE C[C@@](O)(CO)[C@@H](N)c1cccc(Br)c1O 713775561 RBNZZZCHVKRFER-VHSXEESVSA-N 276.130 0.898 10 10 CCCE CN1CCC[C@](O)(CC(=O)NCc2ccccc2O)C1 901125495 YDKKPHFHWCXTIQ-HNNXBMFYSA-N 278.352 0.855 10 10 CCCE COc1ccc(O)c(CNC(=O)CC2(O)CCOCC2)c1 907061200 SMDADZFRPNERSK-UHFFFAOYSA-N 295.335 0.949 10 10 CCCE CN1CC[C@@H](OC[C@H](O)COc2ccc(N)cc2)C1 1893459666 XFEAPUMQFMTFEB-TZMCWYRMSA-N 266.341 0.729 10 10 CCCE CCOC(=O)[C@H](C[C@@H](N)Cc1ccc(O)c(O)c1)OC 1951991684 BCZXIPKSROAXNN-GWCFXTLKSA-N 283.324 0.936 10 10 CCCE Oc1cc2c(cc1CNCC13CC(CN1)C3)OCO2 853246744 RSHFZWGGYBKUIO-UHFFFAOYSA-N 262.309 0.963 10 10 CCCE COCCS(=O)(=O)N1Cc2cccc(O)c2C1 867690190 CEFCZSMXECPBAX-UHFFFAOYSA-N 257.311 0.684 10 10 CCCE NCc1cc(F)c(N2CCC[C@@H]2C(N)=O)c(F)c1 62709942 VHXBPVZMGNOGTQ-SNVBAGLBSA-N 255.268 0.878 10 10 CCCE C[C@H](NC(=O)Cn1cnc(N)n1)c1ccccc1O 1454819532 GDMHMIWJCPZXGE-QMMMGPOBSA-N 261.285 0.443 10 10 CCCE COCCN(C)c1cnn(CCN=[N+]=[N-])c(=O)c1 165583315 RWIGMGKCNUVORT-UHFFFAOYSA-N 252.278 0.636 10 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CNC(=O)[C@@H]1CNCCN1[C@@H](C)c1cc(F)ccc1O 227385093 NQHSYEGPCMBIND-CABZTGNLSA-N 281.331 0.612 10 10 CCCE CN(C(=O)c1ccoc1CC(N)=O)c1ccn(C)n1 1633478888 APNPXTDUVNUNKE-UHFFFAOYSA-N 262.269 0.318 10 10 CCCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@]1(O)CCOC1 1567467674 OJMSMPIOIFNQSE-OTYXRUKQSA-N 281.308 0.296 10 10 CCCE CN1CCCc2cc([C@H](N)C(CO)CO)ccc21 1927603576 RXXXSWYHKMCSCM-AWEZNQCLSA-N 250.342 0.670 10 10 CCCE CNC(=O)CN(C)c1ccc([N+](=O)[O-])c(CO)c1 234364806 DBIYDTIQHRHBFI-UHFFFAOYSA-N 253.258 0.269 10 10 CCCE CN(C)c1ccc(CN2CCNCCNCC2)cc1 904397591 GIBVFVHBIVGTMA-UHFFFAOYSA-N 262.401 0.747 10 10 CCCE N[C@H]1CCc2cc(N3C[C@H](O)[C@H](O)[C@H]3CF)ccc21 2140666235 VJMCRHNSDIUNCO-RFQIPJPRSA-N 266.316 0.513 10 10 CCCE Oc1ccc(-c2noc([C@@]3(O)CCNC3)n2)cc1O 236581561 ZYYDSFRXXPUCBS-GFCCVEGCSA-N 263.253 0.329 10 10 CCCE Nc1cc2c(cc1N1CCC[C@@H](N)C1)NC(=O)CO2 1876302740 NYDGUVALOFKQRQ-MRVPVSSYSA-N 262.313 0.527 10 10 CCCE NC(=O)c1cccc(N)c1N[C@@H]1CC[C@@H]2CNC[C@@H]21 1876497370 RNXSBZZLXGADJK-UBHAPETDSA-N 260.341 0.778 10 10 CCCE Nc1ccc(OCCC(=O)NCCC2CNC2)cc1 1876450210 YSVAXDGVMXMSLX-UHFFFAOYSA-N 263.341 0.763 10 10 CCCE Nc1ccc(CC(=O)NC2[C@H]3CC[C@H]2CNC3)cc1 1876511253 NMAGLWRNMJOCIK-RYUDHWBXSA-N 259.353 0.926 10 10 CCCE C[C@]1(NCc2ccc(O)c(O)c2)CCS(=O)(=O)C1 36944420 SOIKBTJEIJAZAR-LBPRGKRZSA-N 271.338 0.765 10 10 CCCE COc1cccc(CNC[C@@H]2C[C@@H](CO)CO2)c1O 1967896679 XHOSVUCQFGEORN-JQWIXIFHSA-N 267.325 0.888 10 10 CCCE Nc1ccc(N2C(=O)[C@@H]3C[C@@H]4OCC[C@@H]4N3C2=O)cc1 2143555036 VRJPXHKSVRVZIP-SRVKXCTJSA-N 273.292 0.967 10 10 CCCE Nc1ccc(CCC(=O)NC[C@H]2CCCC(=O)N2)cc1 2145556402 PPNJROQTBAJIQB-CYBMUJFWSA-N 275.352 0.986 10 10 CCCE CN[C@H](c1ccccc1O)[C@@](C)(O)[C@@H]1CCS(=O)(=O)C1 2148164231 OWHIXUCOXMSEQX-HONMWMINSA-N 299.392 0.838 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3CC[C@@H](O)C4(CC4)C3)ccc21 2149579265 UKNPHWZPQXCWDT-CHWSQXEVSA-N 273.336 0.990 10 10 CCCE C[C@H](N)c1ccc2c(c1)CCCN2CC(=O)NC(N)=O 162219715 OVSWYALQBOCJSW-VIFPVBQESA-N 276.340 0.654 10 10 CCCE 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[N-]=[N+]=NC[C@@H]1CCCN(C(=O)[C@H]2Cc3nncn3C2)C1 2167733505 ZGFSSSYOKPUFMG-UWVGGRQHSA-N 275.316 0.999 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CC2(CC(CO)C2)C1 2129964129 ULQVYLLMDNQXOJ-UHFFFAOYSA-N 263.293 0.942 10 10 CCCE COc1cc([C@@H]2CNC[C@@H]2C(=O)O)cc(O)c1O 1951853601 HWCRHQBPSAHXBC-YUMQZZPRSA-N 253.254 0.494 10 10 CCCE Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)n(C)n1 841484611 AWGQJDYXDGWQCH-UHFFFAOYSA-N 262.269 0.162 10 10 CCCE O=C(/C=C\c1ccc(O)c(O)c1)O[C@@H]1CCNC1=O 759595152 IPFQZEFZPGKPKG-CJHWANRJSA-N 263.249 0.543 10 10 CCCE Cc1cc(N2CCNCC2)cc2c1OCC(=O)N2C 62539321 HUAFNESMPJMQRN-UHFFFAOYSA-N 261.325 0.760 10 10 CCCE COc1cccc(O)c1CNCCC1CS(=O)(=O)C1 786825361 UXMRYHNDZQCLOZ-UHFFFAOYSA-N 285.365 0.925 10 10 CCCE CCOc1cccc(CNCCNC(=O)NC)c1O 397462781 UQGDUFHELCCBNC-UHFFFAOYSA-N 267.329 0.810 10 10 CCCE [N-]=[N+]=NCCN[C@]1(C(N)=O)C2CCN(CC2)C12CC2 716054970 CXUHNVQYRAIVJC-LBPRGKRZSA-N 264.333 0.369 10 10 CCCE Cn1cc(NC(=O)c2cccc(O)c2O)c(C(N)=O)n1 1305698676 LATMWODYZUDKHH-UHFFFAOYSA-N 276.252 0.183 10 10 CCCE CC(C)(C(=O)NCc1cccc(O)c1O)S(C)(=O)=O 1303195058 OXALKJKFCVAABN-UHFFFAOYSA-N 287.337 0.537 10 10 CCCE CC1(C(=N)NO)CN(C(=O)c2cccc(O)c2O)C1 2115233352 RPUPFQLFCBRRDC-UHFFFAOYSA-N 265.269 0.516 10 10 CCCE C[C@@H](COCC(=O)O)NC(=O)c1cccc(O)c1O 2117493712 ZOBKZSVQOCZCLM-ZETCQYMHSA-N 269.253 0.317 10 10 CCCE NC[C@@H]1C[C@H]2CC[C@H]1N2C(=O)c1cc(O)nc(O)c1 2117664281 UZMSOQVBTBWJQZ-IVZWLZJFSA-N 263.297 0.445 10 10 CCCE O=S1(=O)C[C@@H]2C(CNCc3ccc(O)cc3O)[C@H]2C1 2117987572 AJSUNMHHOYGSMX-VXGBXAGGSA-N 283.349 0.478 10 10 CCCE [N-]=[N+]=NCCCN[C@@]1(C(N)=O)CO[C@]2(CCOC2)C1 2122406795 UJCIHZQKTVPGBA-GHMZBOCLSA-N 269.305 0.080 10 10 CCCE CCNC(=O)NC(=O)[C@H](C)N1CCC[C@H]1CN=[N+]=[N-] 2123017391 AEEPEMCKFRDUFB-IUCAKERBSA-N 268.321 0.995 10 10 CCCE C[C@@H](NCC(CO)(CO)CO)c1cc(F)ccc1O 2123219760 IYVYUFQSZJCHRU-SECBINFHSA-N 273.304 0.145 10 10 CCCE OCC1(CO)CCN(c2ccc3c(c2)CC[C@H]3O)C1 2128323272 UADGDVLRSRLURC-CQSZACIVSA-N 263.337 0.847 10 10 CCCE CN1C[C@@H]2C[C@H]1CN2c1ccc(CO)c([N+](=O)[O-])c1 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C[C@@H](N)c1ccc(N2CC(O)(C(N)=O)C2)cc1Cl 1915248774 LZBWIAPKAAKTHU-SSDOTTSWSA-N 269.732 0.396 10 10 CCCE Cn1cc(C(=O)NCc2cc(N)ccc2O)ccc1=O 1915801438 NANNUMHADKOVMT-UHFFFAOYSA-N 273.292 0.603 10 10 CCCE C[C@H]1CN(CC(=O)N(C)c2ccc(N)cc2)CCN1C 110701095 IBADQIBBLMGPMJ-LBPRGKRZSA-N 276.384 0.868 10 10 CCCE CN(C)[C@H]1COC[C@H]1Nc1c(N)cccc1C(=O)O 1922029420 IMDUACVFTFOXGV-MNOVXSKESA-N 265.313 0.708 10 10 CCCE Cc1cc(CN)ccc1N1C[C@H](O)C[C@H]1CN(C)C 227963589 XKVCGAUQJOEMEI-UONOGXRCSA-N 263.385 0.955 10 10 CCCE O=C(Cc1nc(C2CC2)n[nH]1)NCc1c(O)cccc1O 1635850312 KQWCKDYRSXXRSN-UHFFFAOYSA-N 288.307 0.952 10 10 CCCE COC[C@@](C)(CO)CNC(=O)CCc1ccc(N)cc1 1926947788 NDKQDPGUEFMVPD-OAHLLOKOSA-N 280.368 0.963 10 10 CCCE [N-]=[N+]=NCCN[C@]1(C(=O)O)CCN2CCCC[C@H]21 169139007 FUIDQEGKIXNQOE-GXSJLCMTSA-N 253.306 0.968 10 10 CCCE CC1(O)CCN(c2ccc3c(c2)NC(=O)[C@H]3N)CC1 168541208 MXMVDAQJUBQCHA-LBPRGKRZSA-N 261.325 0.990 10 10 CCCE CC(=O)N1CCN(C(=O)CCc2ccc(N)cc2)CC1 20186546 WTTRCNNXTDZQSW-UHFFFAOYSA-N 275.352 0.892 10 10 CCCE COCCNCc1ccc(N2C[C@H](O)[C@H](O)C2)cc1C 234700049 MDPKSTAIMHFFRT-GASCZTMLSA-N 280.368 0.273 10 10 CCCE C[C@H](c1ccccc1O)N1CCN[C@@H]2CS(=O)(=O)C[C@@H]21 2143719619 MBDPGSMZGXSXEK-RTXFEEFZSA-N 296.392 0.524 10 10 CCCE C[C@H](NC(=O)[C@]1(N)C[C@@H](CO)C1)c1ccccc1O 1879675140 WWKYAKZLGWVRDT-PKFCDNJMSA-N 264.325 0.669 10 10 CCCE C[C@H](N)c1cc(F)c(N2C[C@H](O)C[C@@H](O)C2)c(F)c1 1880927194 JOLMHHPTHVVQHN-FXBDTBDDSA-N 272.295 0.916 10 10 CCCE C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)NCCN=[N+]=[N-] 1882298796 XOQFMBSPSLBOCF-SFYZADRCSA-N 287.320 0.687 10 10 CCCE CN(C(=O)Cc1ccc(N)cc1)[C@@]1(CN)CCOC1 1964448377 UGBWLUZWYJUELU-CQSZACIVSA-N 263.341 0.388 10 10 CCCE CN1CCc2cc(CN3CC(OCC(=O)O)C3)ccc21 2144822498 IOVIHTTTZJSJMF-UHFFFAOYSA-N 276.336 0.964 10 10 CCCE COc1cccc(CNC[C@H]2C[C@@H](CO)CO2)c1O 1967896678 XHOSVUCQFGEORN-CMPLNLGQSA-N 267.325 0.888 10 10 CCCE CCSC[C@H](N)C(=O)NCCc1ccc(O)c(O)c1 1968739541 RZHUMPTVTVNNLU-JTQLQIEISA-N 284.381 0.837 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CCNC1 1968739155 LPIWAAWHJOJLOU-SNVBAGLBSA-N 250.298 0.366 10 10 CCCE NC1(C(=O)NCCc2ccc(O)c(O)c2)CC(F)(F)C1 1968739276 NPHFDDDUMVDWSQ-UHFFFAOYSA-N 286.278 0.883 10 10 CCCE NCCCN1CCN(C(=O)Cc2ccc(N)cc2)CC1 1968854930 ZHYFGPPTXJCQOB-UHFFFAOYSA-N 276.384 0.304 10 10 CCCE Cc1cc(O)nc(Cn2ccc3c(c2=O)CNCC3)n1 2150798377 TXCIFYKDUVAYPY-UHFFFAOYSA-N 272.308 0.346 10 10 CCCE CO[C@@H]1COC[C@@H]1CNC(=O)COc1ccc(N)cc1 2154117875 BXKBSSVQMPJBTD-GXFFZTMASA-N 280.324 0.425 10 10 CCCE C[C@H]1NC(=O)CC[C@H]1NCc1cc2c(cc1O)OCO2 282386315 OSELBQMNVHJOAE-PSASIEDQSA-N 278.308 0.878 10 10 CCCE C[C@H]1CN(CC(=O)Nc2ccc(N)cc2)C[C@H](CO)O1 299951891 ICCNHZQVDDMPED-GXFFZTMASA-N 279.340 0.289 10 10 CCCE CN1CCN(C)[C@H](CNCc2cccc(O)c2O)C1 68801865 YOMKRLRNTSWWOZ-GFCCVEGCSA-N 265.357 0.433 10 10 CCCE O[C@@H]1COC[C@@H]1Oc1ccc(N2CCNCC2)cc1 311782063 YNULLBONFCCCAS-KGLIPLIRSA-N 264.325 0.235 10 10 CCCE CN(C)C(=O)OCCCNC(=O)c1ccc(O)c(O)c1 2161177377 MQIOULGBZCQALD-UHFFFAOYSA-N 282.296 0.916 10 10 CCCE C[C@H]1C(C(=O)N(CC(N)=O)Cc2ccc(N)cc2)[C@@H]1C 2161529913 ISWDVIYUVDYLEP-NXEZZACHSA-N 275.352 0.985 10 10 CCCE C[C@]1(CO)CN(Cc2cc(N)ccc2O)C[C@]1(C)CO 704730326 PXVHYSZMSPZKBQ-HUUCEWRRSA-N 280.368 0.787 10 10 CCCE NC(=O)C[C@@H]1CCN(c2ccc3c(c2)NC(=O)[C@H]3O)C1 690712657 GFZAUDCKYSGFFU-SDBXPKJASA-N 275.308 0.374 10 10 CCCE CN(C(=O)CN1CCN2CC[C@H]1C2)c1ccc(N)cc1 381695883 NIWAUAHZELIXLX-AWEZNQCLSA-N 274.368 0.622 10 10 CCCE NC[C@@H](CC(F)F)NC(=O)c1ccc(O)c(O)c1 717821962 AWFYNWPXZCCJAB-SSDOTTSWSA-N 260.240 0.810 10 10 CCCE C[C@@H]1CN(c2cc3c(cc2N)NC(=O)CC3)CC(=O)N1 387312481 QCPDUAKTTOGRDU-MRVPVSSYSA-N 274.324 0.478 10 10 CCCE NCc1ccc(N2CC[C@@H](O)[C@@H](CO)C2)c(Cl)c1 396897499 UOGQQURCQZYASQ-ZWNOBZJWSA-N 270.760 0.978 10 10 CCCE O=C(O)[C@H]1Cn2cnnc2CN1Cc1ccccc1O 818630201 WOZIQEFFMKXXGN-SNVBAGLBSA-N 274.280 0.453 10 10 CCCE O=C(O)C1=C(F)CN(C(=O)c2cc(O)nc(O)c2)CC1 2167859962 IEJUPAWMQGMFKB-UHFFFAOYSA-N 282.227 0.647 10 10 CCCE CNC(=O)[C@H]1CCN(c2ccc(CO)c([N+](=O)[O-])c2)C1 2188574580 BHPDANLKKQZZRO-VIFPVBQESA-N 279.296 0.659 10 10 CCCE CC1(C)NCC[C@@H]1CNC(=O)c1cc(O)c(O)c(O)c1 2188921839 DGSFAWNCKBNKLC-SECBINFHSA-N 280.324 0.921 10 10 CCCE N=S1(=O)CC2(CN(C(=O)c3cc(O)c(O)c(O)c3)C2)C1 2188912927 NXEYVCQLXUZYLF-UHFFFAOYSA-N 298.320 0.306 10 10 CCCE CCn1ncc(CNC(=O)c2cc(O)c(O)c(O)c2)n1 2188909440 LDURAZZQAXRBGN-UHFFFAOYSA-N 278.268 0.345 10 10 CCCE COCCN(c1ccc2c(c1)NC(=O)[C@H]2O)C1COC1 2193558946 AGIHVOCWHJUQNW-ZDUSSCGKSA-N 278.308 0.524 10 10 CCCE CN(C(=O)NC1CCS(=O)(=O)CC1)c1ccc(N)cc1 2197932130 RCHLSOSWRGUBFY-UHFFFAOYSA-N 297.380 0.992 10 10 CCCE O[C@H]1CCc2cc(N3C[C@@H]4C[C@H]3[C@H](O)[C@H](O)C4)ccc21 2184734328 RDLYIVYCWIJLFD-HIYJFBHMSA-N 275.348 0.987 10 10 CCCE O[C@H]1CCc2cc(N3C[C@@H]4C[C@@H](C3)[C@@H](O)[C@H]4O)ccc21 2184734388 SBEOQEJPSASHRV-RLYLYKIYSA-N 275.348 0.844 10 10 CCCE Cc1cc(CN)ccc1N1CC[C@@H]2OCC(=O)N[C@H]2C1 2185520201 BMXORGVWDBKMKF-JSGCOSHPSA-N 275.352 0.547 10 10 CCCE Nc1ccc(CCC(=O)N2CC[C@H](CO)[C@H](N)C2)cc1 2191719353 KTEKFKMKXXMRII-TZMCWYRMSA-N 277.368 0.370 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@H]2C[C@H]3C[C@H]2C[C@H]3N)cc1 2191784091 KEEREESWXDDPDI-WVWOOGAGSA-N 295.408 0.814 10 10 CCCE O=C1N[C@H]2CN(Cc3cccc(F)c3O)C[C@H]2O1 2056808408 OAIXPLBQKRZRGF-VHSXEESVSA-N 252.245 0.824 10 10 CCCE COC(=O)[C@@H](CN[C@H](C)c1ccccc1O)NC(C)=O 2192602034 GFEANWQYHBTDME-BXKDBHETSA-N 280.324 0.721 10 10 CCCE Cc1nc(=NC(=O)c2cc(O)c(O)c(O)c2)o[nH]1 2068574963 ACCPUQDJSMUAFH-UHFFFAOYSA-N 251.198 0.169 10 10 CCCE CC[S@](=O)CCNC(=O)c1cc(O)c(O)c(O)c1 2068577146 MIROSPVKRCSTCW-SFHVURJKSA-N 273.310 0.302 10 10 CCCE C[C@H](NC(=O)[C@@H]1C[C@H](O)CN1)c1ccccc1O 2072484156 NJGKBXROJLJNCU-QXEWZRGKSA-N 250.298 0.292 10 10 CCCE C[C@@H](NC(=O)C1(N)CC(O)C1)c1ccccc1O 2073232475 AAGCZXBRZGEAMP-BGQFSCJGSA-N 250.298 0.422 10 10 CCCE CCOC[C@H](NC(=O)Cc1ccc(N)cc1)C(=O)O 2101447803 RTMUPBNGRUCFKX-NSHDSACASA-N 266.297 0.417 10 10 CCCE Oc1ccc(CCN[C@H]2CO[C@@]3(CCNC3)C2)cc1O 2201744976 OKDRFKVGFITZIA-DOMZBBRYSA-N 278.352 0.751 10 10 CCCE CC1(C)[C@H](O)CN1C(=O)c1cc(O)c(O)c(O)c1 2081484965 GUTHXWNKAJZMTE-SECBINFHSA-N 253.254 0.399 10 10 CCCE C[C@@]1(O)CN(c2ccc(CN)c(F)c2)CC[C@H]1O 2081724615 VPUAQLKAGACYPH-CHWSQXEVSA-N 254.305 0.606 10 10 CCCE COc1ccc(N2C[C@@H](N)C[C@H](O)C2)c(F)c1F 2081864301 NXQOBRYSTGWKPH-YUMQZZPRSA-N 258.268 0.872 10 10 CCCE CNCc1ccc(N2C[C@H](O)[C@@H]3COC[C@H]32)cc1C 2102180964 MFHOVPVNLHNRTH-KFWWJZLASA-N 262.353 0.910 10 10 CCCE C[C@H]1CN(C(=O)c2cc(O)nc(O)c2)CC[C@H]1CO 2109031022 HOEVOMRJSQRCBH-IUCAKERBSA-N 266.297 0.583 10 10 CCCE C[S@@](=O)CC1CN(c2cc3c(cc2N)OCCO3)C1 2110343647 NKCXIDYESJHTTB-LJQANCHMSA-N 282.365 0.855 10 10 CCCE CS(=O)(=O)C1([C@@H](O)[C@@H](N)c2ccccc2O)CCC1 2110401555 GIAVLXMCNVXZGH-RYUDHWBXSA-N 285.365 0.720 10 10 CCCE Cc1cc(N2C[C@H](CO)[C@@H](CCO)C2)ccc1CO 2093502294 XGMGSBHQDHSCEN-GXTWGEPZSA-N 265.353 0.914 10 10 CCCE O=C(NC[C@@H]1CC2(CC2)CN1)c1cc(O)nc(O)c1 2096545609 MYVTXPZGUFRKBP-VIFPVBQESA-N 263.297 0.365 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1C[C@@H]2NCC[C@H]21 2098553909 DCAYHEBPSPAURC-OUAUKWLOSA-N 262.309 0.507 10 10 CCCE COc1cc(N2C[C@H](O)C[C@H]2CN(C)C)ccc1CO 2204544325 ZVRGJHCXLRWEDA-UONOGXRCSA-N 280.368 0.689 10 10 CCCE COCC[S@@](=O)CCNC(=O)CCc1ccc(N)cc1 2207028579 BBRHMAJMJLJWHY-FQEVSTJZSA-N 298.408 0.713 10 10 CCCE CN(C)c1ccc(OC[C@@H](O)CC(=N)NO)cc1 2221880897 WRXLPDRTGSSHRL-JTQLQIEISA-N 253.302 0.838 10 10 CCCE O[C@@H]1CCC[C@@H](NCc2ccc3c(c2)CCO3)[C@H]1O 2224349899 RSLXIUZSEQPQLP-UMVBOHGHSA-N 263.337 0.985 10 10 CCCE O[C@@H]1[C@H]2C[C@@H](CN(c3ccc4c(c3)OCCO4)C2)[C@H]1O 2235103584 KTRHLJIKTCCBOA-NBLIUIFLSA-N 277.320 0.636 10 10 CCCE CCS(=O)(=O)NC1CN(c2ccc(OC)cc2CN)C1 2235968976 YBBCAIODZKRYJM-UHFFFAOYSA-N 299.396 0.282 10 10 CCCE COc1ccc(N2CCCS(=O)(=O)CC2)c(CCN)c1 2235974374 XKWAIBUKAITDQT-UHFFFAOYSA-N 298.408 0.821 10 10 CCCE Cc1cc([C@@H](C)O)ccc1N1CC2(C1)OC[C@H](O)[C@@H]2O 2240833945 UOINHOBJQPUMJT-SWHYSGLUSA-N 279.336 0.359 10 10 CCCE CN1CCOC[C@H]1COC(=O)COc1ccc(N)cc1 2283094504 ZSGVSAKTYBXUOX-LBPRGKRZSA-N 280.324 0.521 10 10 CCCE Cc1cc(N2CC[C@@](O)(CO)C2)ccc1[C@@H](C)O 2257475618 HDKQDFDYYHSTAZ-RISCZKNCSA-N 251.326 0.982 10 10 CCCE Cc1cc(N2CCC(O)(C(N)=O)CC2)ccc1[C@@H](C)N 2285145269 BOZMZFMCCFVDNU-LLVKDONJSA-N 277.368 0.831 10 10 CCCE COCCNCc1ccc(N2CC[C@@H]2[C@@H](O)CO)cc1 2286221393 BNOMWIVPKWTVHB-CABCVRRESA-N 280.368 0.355 10 10 CCCE CCOC(=O)[C@]1(NCCCN=[N+]=[N-])COC2(COC2)C1 2286284810 OPUDQAKBCWHMGP-GFCCVEGCSA-N 284.316 0.768 10 10 CCCE CCCOc1ccc(N2C[C@H](O)[C@H](O)[C@@H](CO)C2)cc1 2289358450 SIOILQCJOFRTFH-BYCMXARLSA-N 281.352 0.626 10 10 CCCE Cc1cc(NS(=O)(=O)CS(C)(=O)=O)cc(C)c1O 2318382662 KSMOIWNNDOXOBS-UHFFFAOYSA-N 293.366 0.753 10 10 CCCE O[C@H]1CCc2cc(N3C[C@H](O)[C@H]4COC[C@H]43)ccc21 2331551562 MYMDVSGYTAAKQM-XGUBFFRZSA-N 261.321 0.862 10 10 CCCE C[C@@H]1CN[C@H]1C(=O)N1CCc2cc(O)c(O)cc2C1 2341149141 BFMULOZQQJMLGK-AMIZOPFISA-N 262.309 0.590 10 10 CCCE CC(C)(CNC(=O)c1cccc(O)c1O)C(=O)O 126074180 GTVOAZPOOQHWEB-UHFFFAOYSA-N 253.254 0.938 10 10 CCCE COc1cccc(CN2CCN([C@@H](C)C(=O)O)CC2)c1O 86753539 AZUHWJPHMXWELK-NSHDSACASA-N 294.351 0.992 10 10 CCCE Cc1ccc(C(=O)N2CC[C@H](NC(N)=O)C2)c(O)c1O 273023984 RSUNXIXSUJFCSX-QMMMGPOBSA-N 279.296 0.289 10 10 CCCE CO[C@H]1C=CCN(C[C@H](O)COc2ccc(N)cc2)C1 2165070873 VLZYOPLLBCLGQH-ZFWWWQNUSA-N 278.352 0.895 10 10 CCCE CO[C@@H]1CN(c2ccc([C@@H](C)N)c(O)c2)C[C@H]1O 396056210 MYEQYHXODZYWQV-BZHVJNSISA-N 252.314 0.608 10 10 CCCE C[C@@H](N[C@@H]1COCC[C@H]1O)c1c(O)cccc1O 710892811 XPPKVJKYVSJCSQ-OPRDCNLKSA-N 253.298 0.898 10 10 CCCE Nc1ccc(OCCC(=O)NC[C@H]2C[C@H](O)C2)cc1 720950825 DSZIWYYIVVKSMM-UMSPYCQHSA-N 264.325 0.925 10 10 CCCE CN[C@@H](C)c1ccc(N2CCOC[C@@H]2C(N)=O)cc1O 723201191 KYFYOFJLQXRMGM-JOYOIKCWSA-N 279.340 0.363 10 10 CCCE N=[N+]=c1c(=O)c2ccc(Br)cc2c1=O 725240260 UHTLSXZWFWQXJB-UHFFFAOYSA-N 252.047 0.338 10 10 CCCE CO[C@H]1C[C@@H](C(=O)NCc2ccc(O)cc2O)N(C)C1 824499329 VTZCTGQVVATEIJ-RYUDHWBXSA-N 280.324 0.433 10 10 CCCE COC(=O)CC[C@H](N)C(=O)NCc1ccccc1O 828015734 LFKIECSTPHIQJE-JTQLQIEISA-N 266.297 0.289 10 10 CCCE COc1cccc(CNC(=O)CCc2cn(C)nn2)c1O 830540203 GPLMVMZRRDFCAX-UHFFFAOYSA-N 290.323 0.778 10 10 CCCE CO[C@](C)(CO)CNC(=O)/C=C/c1ccc(O)c(O)c1 848264733 FPSNWWRTYIUFBD-YVZNUBBCSA-N 281.308 0.625 10 10 CCCE C[C@@]1(COC(=O)COc2ccc(N)cc2)CCNC1=O 698231897 RPUOMCUACOYVEA-AWEZNQCLSA-N 278.308 0.717 10 10 CCCE Nc1ccc(OCCN2C[C@H](O)C[C@@H]2CO)cc1 698215257 PNUUXZITNSFBNC-VXGBXAGGSA-N 252.314 0.075 10 10 CCCE CN(Cc1ccc(N(C)C)cc1)C(=O)CCc1nn[nH]n1 864634632 TUTFINZDIBZDCT-UHFFFAOYSA-N 288.355 0.857 10 10 CCCE COC[C@@H](O)CCNC(=O)c1ccc(N=NC(N)=O)cc1 1138030219 XFDIAPGFJSGTRV-NSHDSACASA-N 294.311 0.976 10 10 CCCE C[C@@]1(CO)C[C@@H](O)CN1Cc1cccc(F)c1O 895327527 DLLNEHBORQKQJO-MFKMUULPSA-N 255.289 0.849 10 10 CCCE O=C(O)[C@H](c1cc(O)ccc1O)N1C(=O)CCCC1=O 83587900 AFXDYIHZSXDKHX-LBPRGKRZSA-N 279.248 0.763 10 10 CCCE N[C@H](c1ccc(O)c(O)c1)c1nnc(-c2ncc[nH]2)o1 83536894 NABKLPRFXMJVEP-SECBINFHSA-N 273.252 0.919 10 10 CCCE OCCCNCc1ccc(N2CCNCC2)cc1F 84846849 YDGSSPHKFYWVDB-UHFFFAOYSA-N 267.348 0.707 10 10 CCCE CO[C@@]1(CNCc2ccccc2O)CCS(=O)(=O)C1 721185917 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C[C@H]1C[C@@H]1C(=O)NCCC(=O)N(C)CCN=[N+]=[N-] 1912189555 VIGXEWOPXFQUBX-IUCAKERBSA-N 253.306 0.917 10 10 CCCE CNCc1ccc(N2CC(CO)(CO)C2)c(Cl)c1 1914980764 BTTFMFPQZBQVSQ-UHFFFAOYSA-N 270.760 0.850 10 10 CCCE CC[C@](O)(CNC(=O)OC(C)(C)C)C(=O)C(C)=O 1919263758 ZCISZTIZMJLURK-LBPRGKRZSA-N 259.302 0.810 10 10 CCCE CCOc1cccc([C@H](NCCC(=O)O)C(=O)O)c1O 211544350 KSGRQXCKCJEIBF-NSHDSACASA-N 283.280 0.981 10 10 CCCE C[C@@H]1CN(c2ccc3c(c2)OCO3)[C@H](CO)C(=O)N1 217059384 JJBKHAZLEIQKFU-PSASIEDQSA-N 264.281 0.101 10 10 CCCE COc1ccc(N2C[C@H](C)NC[C@H]2CO)c(OC)c1 217179471 UYNPBMYDJNVUCO-QWRGUYRKSA-N 266.341 0.863 10 10 CCCE COCC[C@@H]1COCCN1C(=O)Cc1ccc(O)c(O)c1 1556749367 FEHSUWBWKNPFJK-GFCCVEGCSA-N 295.335 0.904 10 10 CCCE Cc1cnc(-c2noc(-c3nnsc3N)n2)cn1 1923221020 LVOLZYGSFWFKJM-UHFFFAOYSA-N 261.270 0.936 10 10 CCCE COC[C@H](O)CCNC(=O)Cc1ccc(N)cc1 230108968 CQNOSIZTYZCLOQ-GFCCVEGCSA-N 252.314 0.325 10 10 CCCE COC(=O)c1nc(=NCc2cc(O)ccc2O)cc[nH]1 1651380639 DSJXJXJYMLMSHP-UHFFFAOYSA-N 275.264 0.708 10 10 CCCE Cc1ccc(CN2CC[C@@]3(CNC(=O)N3)C2)c(O)c1 2139784065 DQCVWXYCORFBRC-CQSZACIVSA-N 261.325 0.958 10 10 CCCE O=C(O)[C@@H]1C[C@@H](O)CCN1Cc1ccc(F)cc1O 2139765236 IMRRCFNULBKWDM-QWRGUYRKSA-N 269.272 0.941 10 10 CCCE Cc1cccc(CNC(=O)C2=C[C@@H](O)[C@H](N)C2)c1O 2139760642 UFPNKPBQAWDEEV-VXGBXAGGSA-N 262.309 0.335 10 10 CCCE COC1CN(S(=O)(=O)NCc2cccc(C)c2O)C1 2139760436 SBUHFIMHJQTGMQ-UHFFFAOYSA-N 286.353 0.366 10 10 CCCE COCCNC(=O)[C@H](C)NCc1ccc(C)cc1O 2139771985 ITIUUVQPYPLVTD-NSHDSACASA-N 266.341 0.941 10 10 CCCE CC(=O)NCCN=NNc1ccc2c(c1)OCC(=O)N2C 1860493767 BUFNZTSRQXIIFJ-UHFFFAOYSA-N 291.311 0.957 10 10 CCCE COCCOCCOC[C@H](O)COc1ccc(N)cc1 124844091 RWRNXNJZXFDORA-ZDUSSCGKSA-N 285.340 0.688 10 10 CCCE COC(=O)c1cccc(N)c1N[C@@H]1COCC[C@@H]1N 1876469099 XTTGTLGYGXZUPF-GXSJLCMTSA-N 265.313 0.584 10 10 CCCE NC(=O)c1cccc(N)c1N[C@@H]1CC[C@H]2CNC[C@@H]21 1876497369 RNXSBZZLXGADJK-PTOFAABTSA-N 260.341 0.778 10 10 CCCE CS(=O)(=O)c1cc(O)c([C@H](N)CC(=O)O)cc1F 258423082 BBUAKVAXELDBFF-SSDOTTSWSA-N 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COC[C@@H]1[C@@H](O)[C@H](O)CN1c1ccc(OC)cc1C 2226753581 XWWYUDKQASAIQL-MGPQQGTHSA-N 267.325 0.560 10 10 CCCE C[C@@H](CN1CCN(c2ccc(N)cc2)C1=O)C(N)=O 2228549119 ROAHDBPPQLOKDO-VIFPVBQESA-N 262.313 0.632 10 10 CCCE Nc1ccc(CN2CCN3C(=O)COC[C@@H]3C2)cc1 2228657647 TZJPJROBJMFSHV-ZDUSSCGKSA-N 261.325 0.312 10 10 CCCE C[C@]1(CO)C=CCN1C(=O)c1cc(O)c(O)c(O)c1 2228861241 HFYJKJOEIWBRES-CYBMUJFWSA-N 265.265 0.566 10 10 CCCE CSc1ncc(CN[C@H]2CS(=O)(=O)C[C@@H]2O)s1 2248611679 OZGWDUBJTUBGLY-YUMQZZPRSA-N 294.423 0.113 10 10 CCCE OCCC1(O)CN(c2ccc(CO)cc2Cl)C1 2249530648 JESSBSWLCWPWFS-UHFFFAOYSA-N 257.717 0.766 10 10 CCCE C[C@H](NCC1(O)CS(=O)(=O)C1)c1ccc(F)cc1O 2267891485 DUFBQIANTZADIF-QMMMGPOBSA-N 289.328 0.341 10 10 CCCE Nc1ccc(OCCN2CC(O)(C(F)(F)CO)C2)cc1 2288519326 WXLYPMCPMWDNEV-UHFFFAOYSA-N 288.294 0.322 10 10 CCCE CON(CC1CC1)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 2288913852 MFRMFDBSKBHFDT-NSHDSACASA-N 280.324 0.768 10 10 CCCE CCCS(=O)(=O)N(C)Nc1nc2c(s1)CNCC2 2317461557 FITTUQMIGOLYRD-UHFFFAOYSA-N 290.414 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251.286 0.363 10 10 CCCE Cc1cc(CN)ccc1N1CCC[C@@](O)(C(N)=O)C1 311641723 RNYHFLNCOOWPEZ-AWEZNQCLSA-N 263.341 0.270 10 10 CCCE O=C(NCCF)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 312420772 YOCWJPYIUFVXTN-QMMMGPOBSA-N 286.259 0.362 10 10 CCCE CN1C[C@H](C(=O)N2CCC[C@@H]2CN=[N+]=[N-])CC1=O 701263269 BENNPYIYLYGKKG-RKDXNWHRSA-N 251.290 0.766 10 10 CCCE Nc1ccc(OCCC(=O)N[C@H]2CCOC[C@@H]2O)cc1 706773005 UTBUBLVEGYRSKM-STQMWFEESA-N 280.324 0.304 10 10 CCCE C[C@H]1CN(Cc2ccc(N)cc2)CCS1(=O)=O 707107665 ABVQAORQJKLJGL-JTQLQIEISA-N 254.355 0.888 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CCSC[C@H]1CCO 689280252 MZHIANOYTIHPGH-SECBINFHSA-N 284.337 0.433 10 10 CCCE COc1ccc(N2CC[C@](O)(CN(C)C)C2)c(N)c1 713624243 POKAZFLOWPVYCS-AWEZNQCLSA-N 265.357 0.780 10 10 CCCE CN1CCc2cc(CNC3[C@@H]4CS(=O)(=O)C[C@@H]34)ccc21 2174648860 RDZUBBKAXYTZET-CHWSQXEVSA-N 292.404 0.812 10 10 CCCE C[C@H](NC(=O)N(C)Cc1ccccc1O)[C@H](O)C(=O)O 2192569976 LPRXHDKNUMVLCN-KWQFWETISA-N 282.296 0.368 10 10 CCCE O=C(N[C@H]1[C@H]2NCCCC[C@H]21)c1cc(O)c(O)c(O)c1 2188927084 CGVCBOKBIOWEMC-JFUSQASVSA-N 278.308 0.674 10 10 CCCE NCc1ccc2c(c1)CCN2C[C@H](O)CN1CCCC1 2189916136 BZSXGWKNKJLXDX-OAHLLOKOSA-N 275.396 0.965 10 10 CCCE CC(C)(C)N1CC[C@@](NCCN=[N+]=[N-])(C(N)=O)C1 2041960026 MPHFVXCUJCJXKK-NSHDSACASA-N 254.338 0.615 10 10 CCCE CN(CC1[C@@H]2CS(=O)(=O)C[C@@H]12)c1ccc(N)cc1 2054273593 RYKAAKYADOCSFX-STQMWFEESA-N 266.366 0.996 10 10 CCCE C[C@@H](NC[C@H]1CNC(=O)O1)c1c(O)cccc1O 2066429712 ZWBYSPLUPHCVFQ-SFYZADRCSA-N 252.270 0.857 10 10 CCCE CCCN(CCO)C(=O)c1cc(O)c(O)c(O)c1 2068578308 RNZRPKBDCALQPT-UHFFFAOYSA-N 255.270 0.648 10 10 CCCE C[C@@H]1NCC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2068619338 YICDBOSMOUEXLG-XPUUQOCRSA-N 252.270 0.284 10 10 CCCE Nc1ccc(CC(=O)NC[C@H](F)C2CNC2)cc1 2071673893 XTSQEWNSJKFKBB-LBPRGKRZSA-N 251.305 0.485 10 10 CCCE C[C@@H]1OCCN(Cc2ccc(N)cc2)[C@@H]1C(=O)O 2076888045 ZQGCLVSTPBXPTE-CABZTGNLSA-N 250.298 0.943 10 10 CCCE Cc1[nH]nc(S(=O)(=O)Nc2ccc(O)cc2)c1CO 2101592625 HOMSKXUDJJNSAV-UHFFFAOYSA-N 283.309 0.717 10 10 CCCE 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COc1ccc(N2CC[C@@H](O)[C@H](O)CC2)c(C=O)c1 2269139027 RKSYWKSLCVEXBI-ZIAGYGMSSA-N 265.309 0.830 10 10 CCCE OCc1cc(F)c(N2C[C@@H]3C[C@H]2[C@@H](O)[C@H]3O)c(F)c1 2329324572 UATFJHBKQGOGIY-CETXONJKSA-N 271.263 0.387 10 10 CCCE COc1ccc(N2[C@H]3CC[C@@H]2C[C@@H](O)[C@H]3O)c(N)c1 2331965180 SBTOIIGLBHFUOE-XAGKMFGPSA-N 264.325 0.740 10 10 CCCE C[C@@H]1Cc2cc(N3C[C@@H]4C[C@H]3[C@H](O)[C@H]4O)ccc2O1 2333686919 GDDIZGGDRJOXRV-DDRGDPGHSA-N 261.321 0.940 10 10 CCCE C[C@@H](O)c1ccc(N2C[C@@H]3[C@H](C2)CS3(=O)=O)cc1O 2336345690 QTYHSBYONFPIFQ-JRKPZEMJSA-N 283.349 0.679 10 10 CCCE C[C@](CN)(NCc1ccc2c(c1)CCCO2)C(=O)O 2349145973 KLSZARLZXHNVIA-CQSZACIVSA-N 264.325 0.903 10 10 CCCE CCOCCN(C)C[C@H](O)COc1ccc(N)cc1 211468049 HSSQUBLGJDDTGF-ZDUSSCGKSA-N 268.357 0.977 10 10 CCCE Nc1ccc(CCC(=O)NCCn2ccnn2)cc1 126010619 AZNIHGSFKCQDPA-UHFFFAOYSA-N 259.313 0.609 10 10 CCCE COCCN(C)C[C@@H](O)COc1ccc(N)cc1 42458358 PRHLGWBYELOEAL-GFCCVEGCSA-N 254.330 0.587 10 10 CCCE COCC[S@@](=O)CC(=O)N(C)c1ccc(N)cc1 40970447 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C[C@@]1(C(=O)NCCOc2ccc(N)cc2)CNC(=O)C1 2172384262 OWRJYNOSZQHUGI-AWEZNQCLSA-N 277.324 0.290 10 10 CCCE CN1CCN(C(=O)CCOc2ccc(N)cc2)[C@H]2C[C@H]21 2168384454 JJIJARMVTFRNAT-KGLIPLIRSA-N 275.352 0.953 10 10 CCCE C[C@H](CC1CN(C(=O)c2cc(O)nc(O)c2)C1)C(=O)O 2178492666 ZQMBCIOYWYCOMJ-SSDOTTSWSA-N 280.280 0.676 10 10 CCCE NC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(O)c1O 2192236196 PDBMVBWHLWJDES-YUMQZZPRSA-N 277.280 0.075 10 10 CCCE C[C@@H](c1ccccc1O)N(C)C(=O)c1n[nH]c(=NN)s1 2192588983 DSQCJTDKJUAAPX-ZETCQYMHSA-N 293.352 0.784 10 10 CCCE C[C@H](NC(=O)c1cc(O)nc(O)c1)c1nnc(CO)s1 2192593109 GDOPFYAWOSDODE-YFKPBYRVSA-N 296.308 0.328 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CCc2nn[nH]c2C1 2188867589 CYYGZPHKICZUSF-UHFFFAOYSA-N 276.252 0.120 10 10 CCCE C[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)[C@@H]1CCCNC1 2188924749 QYQSNIKQXWIAGE-RKDXNWHRSA-N 280.324 0.921 10 10 CCCE COCCN(c1ccc2c(c1)NC(=O)[C@H]2N)C1COC1 2193571583 ZAPFCCWZZLNNPF-ZDUSSCGKSA-N 277.324 0.490 10 10 CCCE Cc1ccc(O)c(CN[C@H](C(=O)O)C2COC2)c1 2042972598 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COCCN1C[C@H](N(C)c2ccc(N)cc2)[C@H](O)C1 2100732796 AKSNDNKBADFAIS-UONOGXRCSA-N 265.357 0.397 10 10 CCCE O=C(O)[C@@]1(CO)CCN(Cc2ccccc2O)C1 2081090957 VMSBBQWDYGPBSW-ZDUSSCGKSA-N 251.282 0.661 10 10 CCCE C[C@H](N)c1ccc(N2CC[C@H](OCC(N)=O)C2)cc1 2089132175 YXDVEBMNOCGRPU-GWCFXTLKSA-N 263.341 0.787 10 10 CCCE C[C@@H]1CN2C(=O)N(c3ccc(N)cc3)C(=O)[C@@H]2CO1 2109537278 JBFPXFZGVJMXLB-KCJUWKMLSA-N 261.281 0.825 10 10 CCCE C[C@H]1CN[C@@H](C(=O)N(C)Cc2ccccc2O)CO1 2109613390 IDWPYOJCRQZKKD-CMPLNLGQSA-N 264.325 0.728 10 10 CCCE CO[C@H](CN)CC(=O)NCCc1ccc(O)c(O)c1 2091757027 WIBMRLQDUGDUGU-JTQLQIEISA-N 268.313 0.120 10 10 CCCE CN(Cc1ncon1)S(=O)(=O)Cc1ccc(N)cc1 2095551482 IHJJTVVZICCOFY-UHFFFAOYSA-N 282.325 0.614 10 10 CCCE Nc1ccc(O)c(CN2CCN(CCCO)CC2)c1 2113619111 ATUKCAPTWPFTAL-UHFFFAOYSA-N 265.357 0.474 10 10 CCCE Nc1ccc(OC[C@@H](O)CN2C[C@H]3C[C@@]3(CO)C2)cc1 2200841994 OEINULLPVGNTAD-ZLDLUXBVSA-N 278.352 0.323 10 10 CCCE COc1cc(N2CC[C@@H]3CC(=O)N[C@@H]3C2)ccc1CN 2204555058 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Cc1cc(N2CC[C@H](O)[C@H](O)CC2)ccc1CN 2256985759 FJVLZCJALMYSQC-OKILXGFUSA-N 250.342 0.776 10 10 CCCE Oc1ccc(-c2noc([C@@H]3CC[C@@H](O)CN3)n2)cc1O 2279172705 OGKWVBVBKVSELB-BDAKNGLRSA-N 277.280 0.933 10 10 CCCE CNCc1ccc(N2C[C@@H]3OC[C@H](CO)O[C@H]3C2)cc1 2279923805 CBWHNGARIUUZFY-KKUMJFAQSA-N 278.352 0.371 10 10 CCCE COC(=O)[C@@H](NCCCN=[N+]=[N-])c1cnc(OC)nc1 2281538810 GNKXJDTVLRLUNU-VIFPVBQESA-N 280.288 0.989 10 10 CCCE CN[C@@H](C)c1ccc(N2CC([C@H](O)CO)C2)cc1 2315166535 NPQBDTDSUSYJSB-IINYFYTJSA-N 250.342 0.756 10 10 CCCE [N-]=[N+]=NC1CN(C(=O)[C@@H]2COC3(CCC3)CO2)C1 2316792726 UJOAZXQDVWGSMN-VIFPVBQESA-N 252.274 0.846 10 10 CCCE CCS(=O)(=O)N(C)N[C@H](C)c1c(O)cccc1O 2317489508 BQKAPIKIWNBFIN-MRVPVSSYSA-N 274.342 0.945 10 10 CCCE COC1CN(CCNCc2cccc(O)c2O)C1 2317708048 PHPBWWXNNNUDOL-UHFFFAOYSA-N 252.314 0.518 10 10 CCCE O=C(CN1C[C@@H]2C[C@H]1[C@@H]2CO)c1ccc(O)c(O)c1 2333101901 XRCHQLGSAVEVKE-AXFHLTTASA-N 263.293 0.593 10 10 CCCE Cc1cc(N2C[C@@H]3C[C@H]2[C@@H](O)[C@@H]3O)ccc1[C@@H](C)O 2334468749 JHBWICNIJYCBIT-UFNBPRGBSA-N 263.337 0.979 10 10 CCCE C[C@H](N)c1cc(F)c(N2CC([C@H](O)CO)C2)c(F)c1 2336770605 CGWLALDUWUSRFP-JVXZTZIISA-N 272.295 0.774 10 10 CCCE [N-]=[N+]=NCC1(CNC(=O)[C@@H]2COC[C@@H]2C(=O)O)CC1 2338347000 CAOSEKKIBDNLNP-SFYZADRCSA-N 268.273 0.540 10 10 CCCE Nc1ccc(CN2C(=O)C(=O)N[C@H]3CCC[C@H]32)cc1 2343025238 DBOSOOYHDPZTPC-NWDGAFQWSA-N 259.309 0.648 10 10 CCCE Nc1ccc(NC(=O)N2C[C@H]3C[C@H](O)[C@H](O)[C@@H]2C3)cc1 2355354139 HFUWIQUFRAEQGR-ZJNJWXDTSA-N 277.324 0.617 10 10 CCCE O=C(N[C@H]1CCCC[C@@H]1O)c1cc(O)nc(O)c1 51990587 GFDFXDOXMIGTPS-IUCAKERBSA-N 252.270 0.526 10 10 CCCE C[C@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1CCNC1 170042084 XPHHXNRWUCZUFR-MWLCHTKSSA-N 264.325 0.755 10 10 CCCE COC[C@H](C)NC(=O)COC(=O)CCc1ccc(N)cc1 49291931 QJHRAUCVHSIIPI-NSHDSACASA-N 294.351 0.896 10 10 CCCE C[S@@](=O)CCCNS(=O)(=O)Cc1ccc(N)cc1 229177332 ZEFUDLAZDCHLRY-QGZVFWFLSA-N 290.410 0.457 10 10 CCCE COc1cc(C)c2c(c1)C(=O)N(C)CCN2CC(=O)O 527430814 FLTLQBOYRXHUPD-UHFFFAOYSA-N 278.308 0.980 10 10 CCCE CC(=O)C(=O)COC(=O)CCS(=O)(=O)CC(C)C 808504461 CYHSOXQSGGPKKN-UHFFFAOYSA-N 278.326 0.149 10 10 CCCE Nc1ccc(OC[C@H](O)C[S@@](=O)[C@@H]2CCOC2)cc1 722444312 LGMNZEAFLBTYTG-CENXUZMRSA-N 285.365 0.546 10 10 CCCE CNC(=O)CN1CCN(Cc2cc(Cl)ccc2O)CC1 700799982 AVSMBNNLHCGOOB-UHFFFAOYSA-N 297.786 0.909 10 10 CCCE COc1cccc(CNC(=O)[C@]2(C)C[C@@H](O)CN2C)c1O 901128339 XLWZTYBGPUTTKK-ABAIWWIYSA-N 294.351 0.472 10 10 CCCE O[C@H]1C[C@@H](O)CN(Cc2ccc(N3CCOCC3)cc2)C1 769563448 JIHKQJIMVFDKGF-IYBDPMFKSA-N 292.379 0.451 10 10 CCCE Nc1ccc(CCNC(=O)N2C[C@H]3C(=O)OC[C@H]3C2)cc1 861641615 UJYGKNYUSCHSCZ-DGCLKSJQSA-N 289.335 0.626 10 10 CCCE CN1C(=O)NC2(CCN(Cc3ccc(N)cc3)CC2)C1=O 57848791 QRIHDOFYRJTHPY-UHFFFAOYSA-N 288.351 0.785 10 10 CCCE COc1cc(N2CCN(C)CC2)c(OC)cc1CN 84166517 IQWOGZNYAHUMKL-UHFFFAOYSA-N 265.357 0.914 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN1C(=O)[C@H]1CCC(=O)NC1 701290600 BHXJCDQQWIXYPB-DTWKUNHWSA-N 251.290 0.814 10 10 CCCE CN(C)c1ccc2c(c1)OCCN2C(=O)C1(O)COC1 1147888462 NWOFDLIUHSTELV-UHFFFAOYSA-N 278.308 0.239 10 10 CCCE COc1ccc(CNCCc2nnnn2C)cc1C 771873735 ONRWMTOPTIJDND-UHFFFAOYSA-N 261.329 0.859 10 10 CCCE Nc1ccc(CCNc2ccc3n[nH]c(=O)n3n2)cc1 90640969 SGZJEPFSKLHXMI-UHFFFAOYSA-N 270.296 0.654 10 10 CCCE O=C(NCc1cc(O)ccc1O)[C@]1(F)CCOC1 1153884737 GYOOCYOBCITUGH-LBPRGKRZSA-N 255.245 0.843 10 10 CCCE NCc1ccc(N2CC(O)(CO)C2)c2ccccc12 2115306103 OHURLFWNOTUQHW-UHFFFAOYSA-N 258.321 0.842 10 10 CCCE COc1ccc(O)c(CN[C@@H]2CCO[C@@H]2C(N)=O)c1 2117464228 WWPJLJDQXSCODN-PWSUYJOCSA-N 266.297 0.133 10 10 CCCE N=c1[nH][nH]cc1C(=O)Nc1ccc(O)cc1C(=O)O 2117507411 ZUALJKKMEIXDOC-UHFFFAOYSA-N 262.225 0.478 10 10 CCCE O=C(O)C[C@H]1CN(Cc2c(O)cccc2F)C[C@@H]1O 2117724532 LYASEYPEIYTDCD-UFBFGSQYSA-N 269.272 0.799 10 10 CCCE C[C@H](N[C@H]1[C@H]2CS(=O)(=O)C[C@H]21)c1c(O)cccc1O 2118021649 VSKLQXMTHBSHMC-YDEXJTGXSA-N 283.349 0.791 10 10 CCCE N[C@@H]1CCc2cc(N3CCN(CCO)CC3)ccc21 2128311296 SFTNSABBPQBWJW-OAHLLOKOSA-N 261.369 0.747 10 10 CCCE CO[C@H]1C[C@H]1CN(C)C(=O)c1cc(O)c(O)c(O)c1 2132418879 OHGSYUDJODYSRE-KWQFWETISA-N 267.281 0.910 10 10 CCCE [N-]=[N+]=N[C@@H]1CCN(C[C@H](O)CN2CCOCC2)C1 1912153427 GSXPJBMZNFEORH-GHMZBOCLSA-N 255.322 0.064 10 10 CCCE CC[C@@H]1CCOC[C@]1(NCCCN=[N+]=[N-])C(N)=O 1912182917 INGRKXLCIBWEEZ-MWLCHTKSSA-N 255.322 0.947 10 10 CCCE C[C@@H]1[C@H](O)CCN1C(=O)Cc1ccc(O)c(O)c1 1914409859 YLXYYZFKMZNVIV-PSASIEDQSA-N 251.282 0.622 10 10 CCCE COC[C@](C)(NC(=O)c1cccc(O)c1O)C(=O)OC 1446052255 SCVVDQNNHNYHHG-ZDUSSCGKSA-N 283.280 0.406 10 10 CCCE CCNCc1ccc(N2CC(O)(C(N)=O)C2)cc1Cl 1915205913 JYVYQJODRJHJJH-UHFFFAOYSA-N 283.759 0.486 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N3CCN(C)C(=O)C3)ccc21 113924012 PQYJGTSPZCXQJT-CYBMUJFWSA-N 274.324 0.178 10 10 CCCE COCCCOCC(=O)NCc1cc(O)ccc1O 1558174915 CFQALPLGOGMYMM-UHFFFAOYSA-N 269.297 0.767 10 10 CCCE COC(=O)C[C@H](C)C(=O)NCc1cc(O)ccc1O 1637126465 ZMKYEIZQEYKQKS-QMMMGPOBSA-N 267.281 0.913 10 10 CCCE CN1C(=O)C(=O)N(CCCc2ccc(N)cc2)C1=O 122689394 PFXVBFZEFZKOTG-UHFFFAOYSA-N 261.281 0.622 10 10 CCCE COc1ccc(O)c([C@H](C)NC(=O)Cn2cn[nH]c2=O)c1 156402696 RLJMVTRZNUZRTE-QMMMGPOBSA-N 292.295 0.163 10 10 CCCE N=c1cc(C(N)=O)c(NCc2ccccc2O)c[nH]1 1876465887 IYTXUEZHJQUYLY-UHFFFAOYSA-N 258.281 0.911 10 10 CCCE Nc1ccc(CCC(=O)NC[C@@]23CNC[C@H]2C3)cc1 1876448944 JOKRSJIWNRVOKT-IUODEOHRSA-N 259.353 0.927 10 10 CCCE CCO[C@@H]1C[C@H](N)[C@H]1Nc1c(N)cccc1C(=O)O 1876458203 AAAJEJRNFDIADZ-HOSYDEDBSA-N 265.313 0.884 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@H]3COCC[C@@H]32)cc1 1878813881 UVCDFKJXSIXBJZ-AAEUAGOBSA-N 282.365 0.819 10 10 CCCE CC1(C)C[C@@H](N)C[C@@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)O1 1880083644 ULLWHHHEILDEIY-GMOBBJLQSA-N 268.357 0.537 10 10 CCCE Nc1ccc(CNC(=O)[C@H]2CCc3nn[nH]c3C2)cc1 1968569873 GEXYGOPETHBGBI-JTQLQIEISA-N 271.324 0.808 10 10 CCCE Nc1ccc(CC(=O)N2C[C@@H]3CCS(=O)(=O)[C@H]3C2)cc1 2145063791 JFIKUGCUIMAHTB-AAEUAGOBSA-N 294.376 0.457 10 10 CCCE Nc1cc2c(cc1N1CCO[C@H](CO)C1)CCC(=O)N2 166989083 ILRLIDDISBUPNO-JTQLQIEISA-N 277.324 0.351 10 10 CCCE C[C@@H](N)c1ccc2c(c1)CCN2C[C@H]1CCS(=O)(=O)N1 2146187416 GPVBSQNOHLVYPV-ZWNOBZJWSA-N 295.408 0.761 10 10 CCCE CC(C)N(c1ccc(CN)cc1)[C@H](C)C(=O)NC(N)=O 34655327 LWIDIMQALDTKBD-SNVBAGLBSA-N 278.356 0.944 10 10 CCCE CC1(C)CN(c2cc3c(cc2N)OCC(=O)N3)[C@H]1CO 2148970606 VOUGGHPEJDSNCC-LBPRGKRZSA-N 277.324 0.807 10 10 CCCE Nc1ccc(OCC(=O)NC[C@H]2C[C@@H](CO)CO2)cc1 2157527342 BYXAAUUFVRFJIZ-GXFFZTMASA-N 280.324 0.161 10 10 CCCE Nc1ccc(OC[C@H](O)CN2CCS(=O)CC2)cc1 49691283 JBKNBYKMDYSIRY-GFCCVEGCSA-N 284.381 0.073 10 10 CCCE C[C@@]1(NC(=O)c2cccc(O)c2O)CCCNC1 2027844660 CCNPULJVAGJOQU-CYBMUJFWSA-N 250.298 0.970 10 10 CCCE Nc1ccc(CCCN2CC(CO)(CO)C2)cc1 2030145093 RLDIKNISGGHMEU-UHFFFAOYSA-N 250.342 0.488 10 10 CCCE C[C@@H](C=CC(=O)O)NC(=O)c1cccc(O)c1O 2030393717 UWBNVTVKIXTQJO-ZETCQYMHSA-N 251.238 0.857 10 10 CCCE C[S@](=O)(=NC(=O)c1cc(O)nc(O)c1)[C@@H]1CCCNC1 2159064645 YSCWQQFIXHYBOJ-GSDQLPOLSA-N 299.352 0.483 10 10 CCCE C[C@@H]1CN(C(=O)c2ccc(O)c(O)c2)C[C@@H](C)S1(=O)=O 400871419 HPNPHPAOLJVWDY-RKDXNWHRSA-N 299.348 0.745 10 10 CCCE O=C(O)C1=CCN(C(=O)c2cc(O)nc(O)c2)CC1 403550626 HUZJXVZMGAGKNS-UHFFFAOYSA-N 264.237 0.350 10 10 CCCE NCc1cc(F)c(N2C[C@@H](O)[C@H](CO)C2)c(F)c1 316084690 JDGMEROFZGTQHH-GZMMTYOYSA-N 258.268 0.213 10 10 CCCE COCC(COC)S(=O)(=O)NCCCN=[N+]=[N-] 688550553 BCBKJFKBOZFWCW-UHFFFAOYSA-N 266.323 0.268 10 10 CCCE COc1cccc(CN[C@H]2CS(=O)(=O)C[C@@H]2C)c1O 711657007 UPBLVFJLOBXLBT-ONGXEEELSA-N 285.365 0.924 10 10 CCCE O=C1NCCC[C@@H]1Oc1ccc(N2CCNCC2)cc1 691508310 BVBMOAFQSXYXGZ-AWEZNQCLSA-N 275.352 0.754 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N(C)C(CO)CO)c(Cl)cc21 380770303 QFDJYPDIUDTBQD-GFCCVEGCSA-N 299.758 0.342 10 10 CCCE NCc1cn(C2CN(Cc3ccc(O)c(O)c3)C2)nn1 713362992 LOADAWPTWAHGHU-UHFFFAOYSA-N 275.312 0.205 10 10 CCCE CN(C)c1ccc(CN[C@@H]2CCN(C(N)=O)C2)cc1 393247026 OWYYUOZDOVTAAE-GFCCVEGCSA-N 262.357 0.995 10 10 CCCE CCCN1CC(NS(=O)(=O)Cc2ccc(N)cc2)C1 393706345 WTYBCWWUHYRCMX-UHFFFAOYSA-N 283.397 0.782 10 10 CCCE CCC[C@@H]1N[C@H](c2ccc(O)c(O)c2)C(=O)NC1=O 394049061 FHNYMZYETYEHPN-GZMMTYOYSA-N 264.281 0.554 10 10 CCCE CN(C[C@@H]1CCOC1)C[C@@H](O)COc1ccc(N)cc1 399337072 SLAUNUPFMRICMP-GXTWGEPZSA-N 280.368 0.977 10 10 CCCE Nc1ccc(CC(=O)NC[C@@H]2Cc3nncn3C2)cc1 2167743658 CEHTYJPEMZVZAN-NSHDSACASA-N 271.324 0.392 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3CCN(C)[C@@H]4C[C@H]43)cc21 2168366879 ABZBGICUAQGMQE-MGPQQGTHSA-N 272.352 0.556 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CCN[C@@H](C(F)(F)F)C1 2186712371 VODRTTZEYFQTCV-SSDOTTSWSA-N 291.229 0.469 10 10 CCCE C[C@@H]1CN(c2cc3c(cc2N)OCC(=O)N3)CC[C@H]1N 2191597902 TVUPMJGEAKHZDI-RKDXNWHRSA-N 276.340 0.773 10 10 CCCE CN(Cc1ccccc1O)S(=O)(=O)[C@@H]1CCC12CNC2 2179898103 DCDFKIKUSPPTLV-CYBMUJFWSA-N 296.392 0.906 10 10 CCCE COC(=O)[C@H](N)CCNC(=O)CCc1ccc(N)cc1 2191762013 QGGBFCJNWAOFCO-GFCCVEGCSA-N 279.340 0.208 10 10 CCCE CO[C@@H]1C[C@H](CN)N(S(=O)(=O)Cc2ccc(N)cc2)C1 2191782378 STJLWKDPBFARFE-CHWSQXEVSA-N 299.396 0.147 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CCC[C@@H]2NCC[C@@H]21 2188920989 AEBTWTMGPOOHPX-UWVGGRQHSA-N 278.308 0.770 10 10 CCCE C[C@@H](Cn1cnnc1)NC(=O)c1cc(O)c(O)c(O)c1 2188921412 BQEWXBZJLRDHFY-ZETCQYMHSA-N 278.268 0.213 10 10 CCCE COc1cccc(O)c1CNC1COCCOC1 2042569070 JDKFCXLUJVOZBX-UHFFFAOYSA-N 253.298 0.906 10 10 CCCE CN1CCc2cc([C@H](CS(C)(=O)=O)NN)ccc21 2044757143 VEQMOLMNYCHREP-NSHDSACASA-N 269.370 0.228 10 10 CCCE Nc1ccc(NS(=O)(=O)[C@H](C(=O)O)C2CC2)cc1 2048173950 GGCVLTMGBBAMEL-JTQLQIEISA-N 270.310 0.874 10 10 CCCE N[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CC(F)(F)C1 2184237410 SPDMQRWVKZPKOM-VIFPVBQESA-N 286.278 0.835 10 10 CCCE CN[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1C 2051928780 QWHXXVMARKEDQB-APPZFPTMSA-N 251.286 0.315 10 10 CCCE OC[C@]12CN(c3ccc4c(c3)CC[C@@H]4O)C[C@]1(CO)C2 2184739629 JQPWPZXBQHZTGC-JYJNAYRXSA-N 275.348 0.847 10 10 CCCE CN(C(=O)Cc1ccc(O)c(O)c1)[C@H]1C[C@H](O)C1 2058951016 MXUUERCMDBYMHR-MGCOHNPYSA-N 251.282 0.622 10 10 CCCE C[C@]1(NC(=O)c2cc(O)nc(O)c2)CCC[C@H]1O 2062572412 AGJOXNCAGODUSR-PELKAZGASA-N 252.270 0.526 10 10 CCCE CN(C[C@@]1(O)CCOC1)c1ccc2c(c1)NC(=O)[C@@H]2O 2185949603 DEWZNSJYEPXPAS-OCCSQVGLSA-N 278.308 0.260 10 10 CCCE CC[C@](C)(CN)NC(=O)c1cc(O)c(O)c(O)c1 2068624782 SPEYHBZJHOOALE-GFCCVEGCSA-N 254.286 0.661 10 10 CCCE CS(=O)(=O)CCCN1CCc2cc(CN)ccc21 2069540261 VMLVPDSVGJJCMG-UHFFFAOYSA-N 268.382 0.943 10 10 CCCE OC[C@H](O)C1(NCc2ccc(F)c(F)c2O)CC1 2069745547 BKUDFFUKAYWNDU-VIFPVBQESA-N 259.252 0.646 10 10 CCCE N=c1cc(C(N)=O)c(OCCc2ccc(N)cc2)c[nH]1 2199009288 GBTYGTGKYKQTIX-UHFFFAOYSA-N 272.308 0.797 10 10 CCCE NC(=O)c1ccc(N)c(OCCc2ccc(N)cc2)n1 2199010974 UQUODCKSHGPCLE-UHFFFAOYSA-N 272.308 0.966 10 10 CCCE COc1cc(N(C)[C@H]2CCNC2=O)ccc1CO 2084014503 TUVBYFSQLDJEEE-NSHDSACASA-N 250.298 0.512 10 10 CCCE COC(=O)CC[C@H](O)CN(C)c1ccc(CN)cc1 2105752563 ALVDDXVYDSMOKC-ZDUSSCGKSA-N 266.341 0.896 10 10 CCCE CNC[C@H](O)CN(C)c1ccc2c(c1)OCCCO2 2106373444 KXOYBPGSDVOJAF-LBPRGKRZSA-N 266.341 0.864 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NCC[C@H]1CCNC1 2087730439 YPSSHPOAABOFLF-SNVBAGLBSA-N 264.325 0.756 10 10 CCCE COc1ccc(N2C[C@@]3(CO)C[C@]3(CO)C2)c(N)c1 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OCc1cn[nH]c(=NCCc2ccc(O)c(O)c2)c1 2273953451 DGLSNRCDZOPMSS-UHFFFAOYSA-N 261.281 0.457 10 10 CCCE C[C@@]1(CO)C=CCCN1C(=O)c1cc(O)c(O)c(O)c1 2279063610 IXVZNYRUJHZIMT-AWEZNQCLSA-N 279.292 0.957 10 10 CCCE NC(=O)C[C@@H]1CCCN1c1ccc2c(c1)NC(=O)[C@@H]2O 2285719052 VZGSKMKBRWBVJW-ISVAXAHUSA-N 275.308 0.516 10 10 CCCE COC(=O)[C@H](C)NC(=O)C=Cc1ccc(O)c(O)c1 2296557055 WFBBISJLIGYSGF-QMMMGPOBSA-N 265.265 0.789 10 10 CCCE NCc1nc(CNC(=O)Cc2ccc(O)c(O)c2)cs1 2286749760 WTGIXESOUGQFCV-UHFFFAOYSA-N 293.348 0.872 10 10 CCCE N=c1nnc(OCc2cc(F)c(N)cc2F)n[nH]1 2320055043 AQMSRSQFKUZEHR-UHFFFAOYSA-N 254.200 0.119 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@H]2C[C@@H]1[C@H]2CO 2333084211 NUEWTUIGBVKXCS-HRDYMLBCSA-N 265.265 0.256 10 10 CCCE CCOc1ccc([C@H](NCCN=[N+]=[N-])C(N)=O)cn1 2338047213 UUIPXBQCRYYBDP-JTQLQIEISA-N 264.289 0.907 10 10 CCCE OCC[C@@H](O)CCNCc1cc2c(cc1O)OCO2 2351746956 BLRBUVCFHGJVLU-JTQLQIEISA-N 269.297 0.344 10 10 CCCE CS(=O)(=O)CCS(=O)(=O)CCc1ccc(N)cc1 104338291 YJNNBYLINKDCEA-UHFFFAOYSA-N 291.394 0.271 10 10 CCCE O=C(N[C@@H]1CCCC[C@H]1O)c1cc(O)nc(O)c1 51990589 GFDFXDOXMIGTPS-RKDXNWHRSA-N 252.270 0.526 10 10 CCCE Nc1ccc(-n2nccc2NC(=O)[C@H]2COCCO2)cc1 61628836 FDCCVTJNIYIDGM-GFCCVEGCSA-N 288.307 0.808 10 10 CCCE C[C@]1(F)C[C@H](NC(=O)[C@@H](N)Cc2ccc(O)c(O)c2)C1 2357549825 WQNLHNXAKUSNCD-BHDSKKPTSA-N 282.315 0.974 10 10 CCCE CC(=O)N[C@@H]1CCN(C(=O)CCOc2ccc(N)cc2)C1 133356975 SIWCTEXENCIFFZ-CYBMUJFWSA-N 291.351 0.775 10 10 CCCE C[C@@H](O)CCN(C)C(=O)COc1ccc(N)cc1 135509217 RPAYSGXZTVXJRH-SNVBAGLBSA-N 252.314 0.877 10 10 CCCE CN1CCCN(C(=O)c2ccc(O)c(O)c2)CC1 227012434 YKVKPSQFEAXNGC-UHFFFAOYSA-N 250.298 0.876 10 10 CCCE C[C@H]1CN(C(=O)c2ccc(O)c(O)c2)C[C@@H]1C(=O)O 235651673 VSLPDKAKMJISHP-CBAPKCEASA-N 265.265 0.891 10 10 CCCE CCc1[nH]nc(C(=O)OCC(=O)C(C)=O)c1[N+](=O)[O-] 808540241 QPASMKUBSWDYEE-UHFFFAOYSA-N 269.213 0.195 10 10 CCCE CN1C(=O)[C@@H](O)c2ccc(N3CC(C[S@@](C)=O)C3)cc21 2166650370 ITISXIRDRJKLLW-RNODOKPDSA-N 294.376 0.511 10 10 CCCE CN1CCc2cc([C@@H](N)[C@@H](O)c3ncnn3C)ccc21 2163147067 XATWTDZZKKXIQJ-CHWSQXEVSA-N 273.340 0.541 10 10 CCCE Oc1ccc(CN2CC[C@@]3(CNCCO3)C2)c(O)c1 719992906 KWXRUXFNFVDUOA-CQSZACIVSA-N 264.325 0.662 10 10 CCCE C[C@@H](c1cc(O)ccc1O)N1C[C@H](O)CC12CNC2 2130062654 MPCUXEKRHRXMEL-GXSJLCMTSA-N 264.325 0.567 10 10 CCCE CC(=O)C(=O)COC(=O)c1ccc(OC(F)F)nc1 924254491 QPYZWTNBUYUFCY-UHFFFAOYSA-N 273.191 0.998 10 10 CCCE COc1ccc(N2CCC(NC[C@@H](O)[C@@H](C)O)CC2)cc1 865739368 VDCWPDJKISILNC-MLGOLLRUSA-N 294.395 0.995 10 10 CCCE C[C@@H](N)c1ccc(N2CC(CNC(N)=O)C2)cc1O 2130741754 FVBNAQGMRXXKNU-MRVPVSSYSA-N 264.329 0.516 10 10 CCCE CNC(=O)CN1CCNc2cc(OC)c(OC)cc21 76895165 TXCYVKBHIKFHRX-UHFFFAOYSA-N 265.313 0.682 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CCSC[C@@H]1CO 708403313 JLOMWPSNMYQBQP-QMMMGPOBSA-N 270.310 0.043 10 10 CCCE C[C@H](N)c1ccc(N2CCN(C)[C@@H](CO)C2)c(F)c1 687617467 MIFHBVGWMZVYNL-CMPLNLGQSA-N 267.348 0.958 10 10 CCCE CN(C(=O)Cc1ccc(N)cc1)[C@H]1COC[C@@H]1C(=O)O 90389691 XWLZZIGQUYMIRW-RYUDHWBXSA-N 278.308 0.369 10 10 CCCE C[C@@]1(C(=O)NCc2c(O)cccc2O)CCC(=O)N1 1304053826 SWSFFSPZVDPQHW-ZDUSSCGKSA-N 264.281 0.383 10 10 CCCE CCN[C@H](C)c1ccc(N2CC(=O)NC(=O)C2)cc1 97268834 OIYQTEYMFNMRSQ-SNVBAGLBSA-N 261.325 0.820 10 10 CCCE C[C@@H]1OC(=O)N[C@H]1C(=O)NCc1c(O)cccc1O 1178910727 HHVCNBZQGCWJLD-QUBYGPBYSA-N 266.253 0.211 10 10 CCCE O=C1NC[C@]2(CCCN(c3ccc(CO)cc3)C2)N1 2121182658 XNAODKFAFKOUGH-AWEZNQCLSA-N 261.325 0.831 10 10 CCCE O=C(NCc1cccc(O)c1O)C1(CO)CCOCC1 1347234983 SMXASAPVLFKDAE-UHFFFAOYSA-N 281.308 0.503 10 10 CCCE CC1(C)OC[C@@H](NC(=O)c2cccc(O)c2O)[C@H]1O 1910827893 BWVPTUWGBQPUBO-LDYMZIIASA-N 267.281 0.366 10 10 CCCE C[C@@H]1CN(C[C@@H](O)COc2ccc(N)cc2)CCN1C 216453915 IUIXCXQHQDMDID-TZMCWYRMSA-N 279.384 0.644 10 10 CCCE [N-]=[N+]=NC[C@H]1CCN(S(=O)(=O)c2cc[nH]n2)C1 1912172790 HKCAZNLOHSBKAQ-SSDOTTSWSA-N 256.291 0.731 10 10 CCCE Cc1cc(N2CC(S(C)(=O)=O)C2)ccc1CO 1946921049 LEXIZDNHCBEVLS-UHFFFAOYSA-N 255.339 0.721 10 10 CCCE CCOC(=O)[C@@H](C)NC(=O)c1ccc(O)c(O)c1 227021187 SBHNULPETQJPMG-SSDOTTSWSA-N 253.254 0.779 10 10 CCCE NC(=O)[C@@H]1[C@H]2CN(CCCc3ccc(N)cc3)C[C@H]21 2136631951 VXKBZTXTICPSOL-WDNDVIMCSA-N 259.353 0.865 10 10 CCCE C[C@@H]1OC(=O)N[C@H]1C(=O)NCc1ccc(O)cc1O 1630307663 YYEQKSGOAISQLE-QUBYGPBYSA-N 266.253 0.211 10 10 CCCE CN(Cc1ccccc1O)C(=O)NC[C@@H]1CNC(=O)C1 1564927147 OMGLJFGENMBYSD-JTQLQIEISA-N 277.324 0.670 10 10 CCCE O=C(NCc1ccc(O)cc1O)C1CCS(=O)(=O)CC1 1570462506 WCRBPTGNDMRMJY-UHFFFAOYSA-N 299.348 0.539 10 10 CCCE Nc1ccc(OCCN=c2[nH]cnc(N)c2F)cc1 2137573277 CZYPTJGIYAVLAP-UHFFFAOYSA-N 263.276 0.693 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NCCO[C@@H]1CCOC1 1597228589 MUSSBZXMOWKQST-LLVKDONJSA-N 281.308 0.562 10 10 CCCE O=C(CN1C[C@H]2C[C@H]1[C@H]2CO)c1ccc(O)c(O)c1 2138374784 XRCHQLGSAVEVKE-VWYCJHECSA-N 263.293 0.593 10 10 CCCE COc1ccc(N2CCN(C[C@@H](O)CC(=O)O)CC2)cc1 166934260 LNJUCVIPNZUORI-ZDUSSCGKSA-N 294.351 0.653 10 10 CCCE CNCc1ccc(N2CCO[C@@H](CO)C2)cc1OC 2139687665 GSKQFGZHJJAYGG-CYBMUJFWSA-N 266.341 0.612 10 10 CCCE N[C@@H]1CC[C@H](C(=O)O)N(Cc2ccc(F)cc2O)C1 2139772008 JDXIROJWPJZCNZ-GHMZBOCLSA-N 268.288 0.908 10 10 CCCE [N-]=[N+]=NCCN[C@]1(C(=O)O)CCN2CCC[C@H]2C1 156573873 JBSXIMSWUWESRB-GXSJLCMTSA-N 253.306 0.968 10 10 CCCE CN(Cc1ccc(N)cc1)C(=O)c1ccc(=O)[nH]n1 234302259 ABUSHVPJRSQKKY-UHFFFAOYSA-N 258.281 0.624 10 10 CCCE CNCc1ccc(N2CC(=O)NC(=O)[C@H]2C)cc1Cl 234423200 ANEHUPRSSHQMDC-MRVPVSSYSA-N 281.743 0.911 10 10 CCCE Nc1ccc(OCCNC(=O)c2ccc(=O)[nH]n2)cc1 236372543 FCAKANXFVUVKRH-UHFFFAOYSA-N 274.280 0.161 10 10 CCCE CC(=O)C(=O)[C@@H](O)C[C@H](C)NC(=O)OC(C)(C)C 1886449492 RKWHBCYXFGGMFI-CBAPKCEASA-N 259.302 0.809 10 10 CCCE CN1CCN(c2ccc3c(c2)N(C)C(=O)[C@@H]3N)CC1 155736384 JMHINAUSMOTOGZ-CYBMUJFWSA-N 260.341 0.415 10 10 CCCE CN(C[C@H](O)COc1ccc(N)cc1)[C@@H]1CCOC1 158226087 ZOEHYSHAOAZPAD-OLZOCXBDSA-N 266.341 0.729 10 10 CCCE CNCc1ccc(N2C[C@]3(CO)C[C@]3(CO)C2)cc1C 2146312962 ZKBHUUUATWQNEJ-IYBDPMFKSA-N 276.380 0.896 10 10 CCCE CN(CCCS(N)(=O)=O)Cc1ccc(N)cc1 2003645303 GWYXANZMYKSQIM-UHFFFAOYSA-N 257.359 0.379 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@H]1OCC[C@@H]1C(=O)O 2157021442 HERRDLBPRKFDSJ-JQWIXIFHSA-N 279.292 0.840 10 10 CCCE O=S(=O)(NCc1ccccc1O)c1cc(CO)ccn1 2157768693 NPTXHDOPUSEKKR-UHFFFAOYSA-N 294.332 0.758 10 10 CCCE Cn1cc(S(=O)(=O)Nc2ccc(O)cc2F)nn1 2027812728 OWLPMBXZRQZIBZ-UHFFFAOYSA-N 272.261 0.461 10 10 CCCE NCc1ccc(N2C[C@@H](CO)C[C@H]2CO)c(F)c1 2029384888 QTUVLWYMTCNIQA-QWRGUYRKSA-N 254.305 0.464 10 10 CCCE C[C@H](NC[C@H]1CCS1(=O)=O)c1c(O)cccc1O 2033301282 WBFBUCKHFMVIQY-DTWKUNHWSA-N 271.338 0.936 10 10 CCCE CC(C)(ONC(=O)Cc1ccc(N)cc1)C(=O)O 2041643337 SJQHRDMYAMTHTA-UHFFFAOYSA-N 252.270 0.722 10 10 CCCE CCOC(=O)[C@H](O)COC(=O)COc1ccc(N)cc1 313112804 OLUPPIJHIXOJKO-LLVKDONJSA-N 283.280 0.115 10 10 CCCE CCNCc1ccc(N2C[C@@H](O)[C@H](CO)C2)cc1C 316924498 KVKPUDJVHRLVBZ-DZGCQCFKSA-N 264.369 0.894 10 10 CCCE C[C@@H](O)CN(C[C@@H](C)O)C(=O)Cc1ccc(O)c(O)c1 2159728717 GSKSYABBSHUHPL-NXEZZACHSA-N 283.324 0.231 10 10 CCCE O=C(NC1CC(n2cncn2)C1)c1ccc(O)c(O)c1 2159828766 ISLFEEXQZBONQB-UHFFFAOYSA-N 274.280 0.823 10 10 CCCE CN1CC[C@](O)(CNCc2ccc(F)c(F)c2O)C1 703418379 WQUYOYPWVBXKFT-ZDUSSCGKSA-N 272.295 0.827 10 10 CCCE C[C@@H](N)CN1CCN(C(=O)c2ccc(O)c(O)c2)CC1 2170223611 GFTAVFLQAUMTSO-SNVBAGLBSA-N 279.340 0.203 10 10 CCCE CN1CCN(c2ccc(CN)cc2F)C[C@H]1CO 687610632 FKFXJHBYGXXUKT-NSHDSACASA-N 253.321 0.397 10 10 CCCE CN[C@@H](C)c1ccc(N2CCN(C)[C@@H](CO)C2)cc1O 687620949 CZWXCYDHWBISEE-WCQYABFASA-N 279.384 0.785 10 10 CCCE CN(C[C@H](N)C1CC1)C(=O)c1ccc(O)c(O)c1 690128940 IKORTLSFXNKJKL-JTQLQIEISA-N 250.298 0.907 10 10 CCCE CN(C(=O)CN1CC[C@](C)(CO)C1)c1ccc(N)cc1 381695102 GBEUQMUHRDWXOP-HNNXBMFYSA-N 277.368 0.936 10 10 CCCE CN(c1ccc2c(c1)NC(=O)[C@H]2N)[C@H]1CCCNC1=O 2171079757 SUBPAWLSXFNSPB-RYUDHWBXSA-N 274.324 0.353 10 10 CCCE Oc1cc2c(cc1CNC1CN(C3COC3)C1)OCO2 2171160295 NHVJHUGBPFUJHM-UHFFFAOYSA-N 278.308 0.294 10 10 CCCE Nc1ccc(CC(=O)N[C@H](CO)CC(F)F)cc1 717829731 NRUSLLWNNWBISO-JTQLQIEISA-N 258.268 0.944 10 10 CCCE CS(=O)(=O)C[C@H]1C[C@@H](NC(=O)c2ccc(O)c(O)c2)C1 2171153988 NIFICGCSXLNTEX-WAAGHKOSSA-N 299.348 0.651 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3C[C@H](C)[C@@H](O)C3)ccc21 388058014 LPGQHIYCMOFINX-HJIKLVIJSA-N 261.325 0.716 10 10 CCCE CCS(=O)(=O)NCCNCc1cccc(F)c1O 390029125 CMGQQQUJJXIVAS-UHFFFAOYSA-N 276.333 0.560 10 10 CCCE CN(c1ccc(C=CC(=O)O)cc1)[C@@H]1CC(=O)NC1=O 2171206118 SAJKTVJQSSQWMA-LLVKDONJSA-N 274.276 0.636 10 10 CCCE C[C@H]1[C@H](CO)CCN1C(=O)c1ccc(O)c(O)c1 395206893 UGCFQYIAGDKRLE-WPRPVWTQSA-N 251.282 0.941 10 10 CCCE Cc1nnc(CN(C)c2ccc3c(c2)NC(=O)[C@@H]3O)o1 2171830218 IAZVHYBCUCXHGO-GFCCVEGCSA-N 274.280 1.000 10 10 CCCE C[C@H]1C[S@@](=O)CCN1c1cc2c(cc1N)OCC(=O)N2 2171970512 YQAJDXDXNVWUPV-FHZGZLOMSA-N 295.364 0.557 10 10 CCCE CO[C@@H]1COC[C@@H]1N(C)Cc1cc2c(cc1O)OCO2 2177282852 JGORZWOBHWPLPG-IINYFYTJSA-N 281.308 0.967 10 10 CCCE COC(=O)CCCNC(=O)CN1CCC[C@H]1CN=[N+]=[N-] 2179614971 AGWCJHRDYCUFCM-JTQLQIEISA-N 283.332 0.831 10 10 CCCE NC(=O)CCN1CCC(NCc2ccccc2O)CC1 2187334460 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Nc1ccc(CS(=O)(=O)N2C[C@H]3C[C@H]2CN3)cc1 2071735004 DNTZVIPFNYRBEX-NEPJUHHUSA-N 267.354 0.145 10 10 CCCE CN[C@H](C)c1ccc(N2CC[C@@](C)(O)[C@H](O)C2)cc1O 2197969902 ZJBADNAKNKDCPC-VCTAVGKDSA-N 280.368 0.995 10 10 CCCE O=C(NC1CC([C@H](F)CO)C1)c1cc(O)c(O)c(O)c1 2199052084 KXHOENSXCAXCGQ-KPIFQKDSSA-N 285.271 0.642 10 10 CCCE C[C@](O)(CO)[C@H]1CCN(c2ccc(CN)cc2)C1 2082742758 FAKGVOGQJAVAFI-JSGCOSHPSA-N 250.342 0.715 10 10 CCCE C[C@@H](NC(=O)NCC1(CN=[N+]=[N-])CC1)S(C)(=O)=O 2082959864 VLQZUMBULWKECO-ZETCQYMHSA-N 275.334 0.767 10 10 CCCE C[C@H]1CNC[C@H](C)C1NC(=O)c1cc(O)nc(O)c1 2103912561 VBUROSBXGMRTMG-YUMQZZPRSA-N 265.313 0.467 10 10 CCCE CN(Cc1ccccc1O)C[C@H](O)CC(=N)NO 2084002816 YKUAMFMIDSBLBT-SNVBAGLBSA-N 253.302 0.531 10 10 CCCE COC(=O)[C@@H](O)CNCc1ccc2c(c1)CCCO2 2104273088 DBAXFPSOGOMVMY-LBPRGKRZSA-N 265.309 0.635 10 10 CCCE Cc1cc(N2C[C@@H]3CS(=O)(=O)C[C@H]3C2)ccc1CN 2087858508 NEKFPUGPBGOGFR-CHWSQXEVSA-N 280.393 0.935 10 10 CCCE COc1ccc(N2CCOCC23CNC3)cc1OC 2111328110 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0.598 10 10 CCCE COc1ccc(N2CCN(C(=O)/C=C/CN)CC2)cc1 381903137 CXCMYQGFMZUVCW-NSCUHMNNSA-N 275.352 0.859 10 10 CCCE C[S@@](=O)CC1CN(c2cc3c(cc2F)[C@H](O)C(=O)N3)C1 2166650678 JNQZQJFMGNPYDO-FKIZINRSSA-N 298.339 0.626 10 10 CCCE CO[C@H]1CCOC[C@H]1NC(=O)Cc1ccc(N)cc1 724863090 OUKRUJUNFNZIQL-OLZOCXBDSA-N 264.325 0.731 10 10 CCCE NC(=O)N1CCN(C(=O)Cc2ccc(N)cc2)CC1 721686670 KZSQPNXNOCKDJJ-UHFFFAOYSA-N 262.313 0.034 10 10 CCCE [N-]=[N+]=NC[C@H]1OC(=O)C[C@@]12CCCS(=O)(=O)C2 675054084 TWPNOSBXRDXJCK-VXNVDRBHSA-N 259.287 0.807 10 10 CCCE C[C@@H](N)c1ccc(N2C[C@@H](O)C[C@H]2CO)c(F)c1 698229323 QSRWYDNCFQJZGH-MIMYLULJSA-N 254.305 0.777 10 10 CCCE COC[C@H]1C(=O)N[C@@H](c2ccc(F)c(F)c2O)N1C 864387400 ITZYMWNUUONQCR-GZMMTYOYSA-N 272.251 0.746 10 10 CCCE CC[C@@H]1CN(CC(=O)NC)c2ccc(CN)cc2O1 74337915 QVVHHPFOCQUCRW-LLVKDONJSA-N 263.341 0.869 10 10 CCCE NC(=O)CN(Cc1ccc(N)cc1)C(=O)C1CSC1 718474611 FDOQRIJVHLVONT-UHFFFAOYSA-N 279.365 0.446 10 10 CCCE CCS(=O)(=O)C1(CNC(=O)c2cccc(O)c2O)CC1 693480719 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[N-]=[N+]=NC1CN(CC(=O)NC(=O)NC2CCCC2)C1 1912166672 AHFSBQGHGHZAKG-UHFFFAOYSA-N 266.305 0.749 10 10 CCCE CN(CCN=[N+]=[N-])CC(=O)NC(=O)NCc1ccco1 1912200244 DUYRAHWLWHTBQI-UHFFFAOYSA-N 280.288 0.848 10 10 CCCE CC(C)NCc1ccc(N2CC(O)(C(N)=O)C2)c(Cl)c1 1915206477 VCTFUHWXQSLNOK-UHFFFAOYSA-N 297.786 0.874 10 10 CCCE COC[C@@H](O)CN(C)c1cc2c(cc1Cl)[C@@H](N)C(=O)N2 221197301 JWOQXFYYSPJSGC-JVXZTZIISA-N 299.758 0.735 10 10 CCCE CN[C@H](C)c1ccc(N(CCO)C2COC2)cc1O 1915539065 PYZLHLBKGISINK-SNVBAGLBSA-N 266.341 0.870 10 10 CCCE O=C(NCc1cc(O)ccc1O)[C@H]1CCCS1(=O)=O 1455349866 AIBQUYANAQSYKZ-LLVKDONJSA-N 285.321 0.291 10 10 CCCE O=C(Cc1c(O)ncnc1O)NCc1ccc(O)c(O)c1 1294872054 UEZOCPNEELPNHU-UHFFFAOYSA-N 291.263 0.158 10 10 CCCE Nc1ccc(CC(=O)NC[C@]23CC[C@H]2CNC3)cc1 2136103282 YEGOHQWBUUUHGF-SWLSCSKDSA-N 259.353 0.927 10 10 CCCE CC(=O)N[C@H](C)CN[C@H](C(=O)O)c1ccc(N(C)C)cc1 211922634 FHSLNVBDSRMIBD-YGRLFVJLSA-N 293.367 0.993 10 10 CCCE Nc1ccc(OCCN(CCCO)CCCO)cc1 1922180048 JSNTUXUPHPYLBD-UHFFFAOYSA-N 268.357 0.714 10 10 CCCE C[C@@H](CC(N)=O)NC(=O)[C@@H]1CNc2ccccc2N1 229885221 JTTFGNIKNOKJNN-KWQFWETISA-N 262.313 0.273 10 10 CCCE NCCN(CC(F)F)C(=O)c1cccc(O)c1O 231598517 RQDJYYVPSCYSRA-UHFFFAOYSA-N 260.240 0.764 10 10 CCCE Cc1nc(SCC(=O)NCc2cc(O)ccc2O)n[nH]1 1593873398 NXRPLIPBZZZTSJ-UHFFFAOYSA-N 294.336 0.933 10 10 CCCE Cc1cccc(CNC(=O)[C@H]2CC[C@@H](CN)O2)c1O 2139761557 ITZBXPXADSHBPI-NWDGAFQWSA-N 264.325 0.823 10 10 CCCE CCCNC(=O)[C@@H](C)NCc1ccc(O)c(O)c1O 233072584 VHNVWYIIUDFODA-MRVPVSSYSA-N 268.313 0.808 10 10 CCCE CN(CC1CNC1)c1ccc2c(c1)N(C)C(=O)CO2 258850295 HTHLMZSTSKHXSL-UHFFFAOYSA-N 261.325 0.697 10 10 CCCE CN(C[C@H]1CNCCO1)c1ccc2c(c1)CC(=O)N2 258919641 NFIQBOUYQNERDT-GFCCVEGCSA-N 261.325 0.606 10 10 CCCE COc1cc(C)c(N(C)C[C@H](N)CO)cc1OC 259089516 RRIDEBOAFBMQPS-JTQLQIEISA-N 254.330 0.768 10 10 CCCE C[C@@]1(C(N)=O)CCN(c2cc3c(cc2N)OCCO3)C1 235400313 VVDBUQMBWLYMAF-CQSZACIVSA-N 277.324 0.742 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1C[C@@H]2C[C@@]2(C(=O)O)C1 2144018769 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CN(Cc1ccccc1O)C[C@@H](O)CC(N)=S 2024793838 OSKWFVMHGOIFLQ-JTQLQIEISA-N 254.355 0.861 10 10 CCCE CCC[C@H](O)CCNC(=O)c1cc(O)nc(O)c1 2029928223 QMLGGBBUXKHIPO-VIFPVBQESA-N 254.286 0.774 10 10 CCCE CS(=O)(=O)C1CC(O)([C@@H](N)c2ccccc2O)C1 2031144023 FIWHNRZXVCZWNN-HBWJCNCUSA-N 271.338 0.330 10 10 CCCE Nc1ccc(OCCCN2CCNC(=O)CC2)cc1 62099633 XPYUSOLAMLOKME-UHFFFAOYSA-N 263.341 0.860 10 10 CCCE CN[C@@H](C)c1ccc(N2CCC[C@](O)(CO)C2)cc1O 314407927 PCYLTDUMMVHWGW-XHDPSFHLSA-N 280.368 0.996 10 10 CCCE CN1C[C@@H](C(=O)O)N(Cc2c(O)cccc2F)CC1=O 2160812632 XMJZBMFEKJVWGX-JTQLQIEISA-N 282.271 0.259 10 10 CCCE CC(C)N1CCN(C(=O)c2ccc(O)c(O)c2)CC1=O 2170579801 QNWKTHALRSFRCT-UHFFFAOYSA-N 278.308 0.791 10 10 CCCE CN(C(=O)CN1CC[C@@H]2C[C@]2(O)C1)c1ccc(N)cc1 2171005341 PSIMITVLXGNUIY-ABAIWWIYSA-N 275.352 0.688 10 10 CCCE CS(=O)(=O)N[C@@H]1CCN(c2ccc(CO)cc2)C1 702979483 KCYQNNOJAJNTPY-LLVKDONJSA-N 270.354 0.307 10 10 CCCE COC[C@@]1(C(=O)O)CN(Cc2ccccc2O)CCO1 711545000 GSDODJOPPOVROH-CQSZACIVSA-N 281.308 0.694 10 10 CCCE Nc1ccc(OC[C@H](O)CN2C[C@H]3C[C@H]2C[C@@H]3O)cc1 2172089123 DDSXCNMTIUKLCP-ZRQNBYAXSA-N 278.352 0.464 10 10 CCCE CN[C@@H]1CCC[C@@H]1NC(=O)c1ccc(O)c(O)c1 715726678 PIPPHPZJMTWLTG-ZJUUUORDSA-N 250.298 0.968 10 10 CCCE CN(C)C[C@@H](O)CNC(=O)CCOc1ccc(N)cc1 717416113 RPGVNSVYNPWJRA-LBPRGKRZSA-N 281.356 0.076 10 10 CCCE CCCS(=O)(=O)C[C@@H](O)COc1ccc(N)cc1 722438532 GTCJBAHWCPWVNM-NSHDSACASA-N 273.354 0.833 10 10 CCCE CC(=O)c1ccc(O)c(CN2C[C@@H]3OC(=O)N[C@@H]3C2)c1 2176927170 LQYWKTOKOZNZHI-YPMHNXCESA-N 276.292 0.887 10 10 CCCE COc1ccc(O)c([C@H](C)N[C@H]2CCO[C@H]2C(N)=O)c1 2174104450 TXWKKYHWDSFFSL-LJUAHTATSA-N 280.324 0.694 10 10 CCCE CCn1ncnc1CNS(=O)(=O)Cc1ccc(N)cc1 2168039793 WLOAHWNTVKEJIN-UHFFFAOYSA-N 295.368 0.500 10 10 CCCE Nc1ccc(NC(=O)N[C@H]2CCn3nnnc3C2)cc1 2175912561 SJZHVQKKTQCXQG-JTQLQIEISA-N 273.300 0.392 10 10 CCCE CN1C[C@@H]2C[C@H](C1)N2c1ccc2c(c1)N(C)C(=O)[C@H]2O 2187626854 PEIZSBICFCWWPM-WDMOLILDSA-N 273.336 0.589 10 10 CCCE CN(C)c1ccc(CNC(=O)C2=C[C@H](O)[C@H](N)C2)cc1 2188023543 VEPIBJIQTBEZOU-KGLIPLIRSA-N 275.352 0.387 10 10 CCCE CN(C[C@]12COC[C@H]1C2)C(=O)c1cc(O)c(O)c(O)c1 2188875192 OSPLMOVEXUHBID-YMTOWFKASA-N 279.292 0.912 10 10 CCCE O=C(NCCOCCCO)c1ccc(O)c(O)c1 2042198465 PBKVVVHDTJRONT-UHFFFAOYSA-N 255.270 0.227 10 10 CCCE COc1ccc(CN2C[C@H](N)C[C@@H](O)C2)c(O)c1 2049121226 RYBPMBRUPFDOQA-GHMZBOCLSA-N 252.314 0.295 10 10 CCCE CN(Cc1c(O)cccc1Cl)[C@H]1CC(=O)NC1=O 2051514506 PYQOHQXLODEVMA-VIFPVBQESA-N 268.700 0.893 10 10 CCCE NC[C@H]1C[C@@H](NC(=O)CCc2ccc(N)cc2)CCO1 2191683482 VCQRUYGFHGDMBS-UONOGXRCSA-N 277.368 0.824 10 10 CCCE Nc1ccc(OCC(=O)NC[C@H]2CNCCCO2)cc1 2191752228 QKTOAVVHXPTZLQ-CYBMUJFWSA-N 279.340 0.142 10 10 CCCE Nc1ccc(OCCC(=O)N[C@@H]2CCN[C@@H]3C[C@@H]32)cc1 2191725368 BJEYGKXGQICWJA-MGPQQGTHSA-N 275.352 0.904 10 10 CCCE COCCNCCCNCc1ccc(O)c(O)c1 2068612481 KQYMKVQCOGTCGX-UHFFFAOYSA-N 254.330 0.814 10 10 CCCE CS(=O)(=O)[C@H]1CNC[C@@H]1Nc1c(N)cccc1Cl 2072525758 LRKGMWSXGCBGLA-UWVGGRQHSA-N 289.788 0.719 10 10 CCCE CNC(=O)CCN(C)c1ccc(CN)c(OC)c1 2084018400 YNPDURXFPYZJJU-UHFFFAOYSA-N 251.330 0.726 10 10 CCCE COc1ccc(N(C)C[C@@H](O)CC(=N)NO)cc1 2084009724 GEMSJQLHHZZNGX-JTQLQIEISA-N 253.302 0.838 10 10 CCCE COC(=O)C1(NCCN=[N+]=[N-])C[C@@H](OC)[C@H](OC)C1 2109824949 FXSFEFIJXOSZCQ-RKDXNWHRSA-N 272.305 0.622 10 10 CCCE Nc1ccc(NC(=O)CN2CC([C@@H](F)CO)C2)cc1 2110586601 QTEGJJUSTMOPCK-LBPRGKRZSA-N 267.304 0.470 10 10 CCCE Cn1cc(CCNC(=O)c2ccc(O)c(O)c2)nn1 2090670039 PPGNHANNJYHAJG-UHFFFAOYSA-N 262.269 0.199 10 10 CCCE C[C@@H](CC(N)=O)N(C)c1ccc2c(c1)NC(=O)[C@H]2N 2094988389 DCAAVHZNIMSYIJ-MADCSZMMSA-N 262.313 0.339 10 10 CCCE C[C@@H](N)CS(=O)(=O)N(C)Cc1ccc(N(C)C)cc1 2096628833 WWUVHTTXEODRTR-LLVKDONJSA-N 285.413 0.861 10 10 CCCE Cc1cccc(CNC(=O)C[C@]2(O)CCCNC2)c1O 2204610034 KPNYNKLTWSMACI-OAHLLOKOSA-N 278.352 0.821 10 10 CCCE C[C@@]1(C(=O)O)C=CCN1C(=O)c1cc(O)c(O)c(O)c1 2237176834 NCJDMPRRRVICAS-ZDUSSCGKSA-N 279.248 0.659 10 10 CCCE C[C@H](c1ccccc1O)N1C[C@@H]2CN[C@@H](CO)[C@@H]2C1 2227305879 KCSWYPLFKFYLNK-WVWOOGAGSA-N 262.353 0.965 10 10 CCCE NCCc1nc(=NC(=O)CCc2ccc(N)cc2)s[nH]1 2238237188 ALTIGWHIPHEEBN-UHFFFAOYSA-N 291.380 0.615 10 10 CCCE O=c1c2c(ccn1C[C@]13CCOC[C@H]1C3)CCNC2 2228659416 NTWOHLQTRLZGOB-IUODEOHRSA-N 260.337 0.921 10 10 CCCE COc1ccc(N2C[C@@H](O)C[C@@H]2CO)c(OC)c1C 2277990326 BRWFEUOPJFWANQ-MNOVXSKESA-N 267.325 0.944 10 10 CCCE O=C(O)[C@@H]1CC[C@H](O)CN1Cc1ccccc1O 2253558683 VXBHOVILQHLWAA-QWRGUYRKSA-N 251.282 0.802 10 10 CCCE O=C(NCc1ccccc1O)[C@H]1CC[C@@H](O)CN1 2253610246 BFNUNOKGMKWRPA-GHMZBOCLSA-N 250.298 0.121 10 10 CCCE Cc1nn(C)cc1[C@](C)(NCCN=[N+]=[N-])C(N)=O 2258568088 JWFHXXQVPSSNNG-JTQLQIEISA-N 251.294 0.329 10 10 CCCE Nc1cc2c(cc1N1C[C@H]3COC[C@H]1C3)NC(=O)CO2 2286915479 CLITUPSIDOHCDU-DTWKUNHWSA-N 275.308 0.825 10 10 CCCE N=c1ncc(C=CC(=O)NCc2ccc(O)cc2O)c[nH]1 2297629659 YZCFTNDKQLTRMB-UHFFFAOYSA-N 286.291 0.630 10 10 CCCE CN(C[C@H]1CCO1)S(=O)(=O)Cc1ccc(N)cc1 2318671106 JQCRTAACIWOXRN-GFCCVEGCSA-N 270.354 0.819 10 10 CCCE OC[C@H](O)C1CN(c2ccc3c(c2)OCCCO3)C1 2336885952 XOBGXVICISLKHQ-LBPRGKRZSA-N 265.309 0.637 10 10 CCCE CC(C)N(C)CCNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 54133412 DVYPKBSXXXYKAH-LBPRGKRZSA-N 295.383 0.424 10 10 CCCE C[C@@H](c1ccccc1O)N1CC[C@](O)(C(=O)O)[C@@H](O)C1 2357505857 MIHKGUFPVBMRHG-DUFXMDAXSA-N 281.308 0.336 10 10 CCCE CC(C)(C)OC(=O)N=c1nc([C@@H](CO)N=[N+]=[N-])[nH][nH]1 1952154512 AJBOTWGFYHMOKE-RXMQYKEDSA-N 269.265 0.917 10 10 CCCE C=CC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 40225774 CEKWUGOTLCGXCH-QMMMGPOBSA-N 251.238 0.396 10 10 CCCE CN1CCN(c2c(F)cc(CN)cc2F)CC1=O 84205863 PXIMZCADYNLSIE-UHFFFAOYSA-N 255.268 0.702 10 10 CCCE COC[C@@H](O)CN(C)CCCC(=O)Nc1ccc(N)cc1 42483152 WHKMKIOJLNJVRT-AWEZNQCLSA-N 295.383 0.927 10 10 CCCE C[C@H](OC(=O)Cc1ccc(N)cc1)C(=O)N1CCOCC1 41098590 FMYUJZNZBKHLTC-NSHDSACASA-N 292.335 0.602 10 10 CCCE Nc1ccc(O)c(CNC(=O)N[C@H]2CCOC2)c1 94889086 WCSXFXGKQWMUGQ-JTQLQIEISA-N 251.286 0.563 10 10 CCCE CN(C)c1ccc([C@H](Cc2ncnn2C)NN)cc1 97750113 OOCJKYGBKHONSI-LBPRGKRZSA-N 260.345 0.628 10 10 CCCE CN(Cc1nnnn1C)c1ccc(/C=C\C(=O)O)cc1 707609656 UGHVUWURMKCGHR-YVMONPNESA-N 273.296 0.944 10 10 CCCE CCOC(=O)NCCCC(=O)OCC(=O)C(C)=O 808530490 XQDGZHDLBMYOQD-UHFFFAOYSA-N 259.258 0.214 10 10 CCCE CN[C@H](c1ccccc1O)[C@@H](O)C1(S(C)(=O)=O)CCC1 2166714332 NEPVKFOYMZQMDI-CHWSQXEVSA-N 299.392 0.981 10 10 CCCE CNC(=O)[C@@H](C)CN(C)c1ccc2c(c1)NC(=O)[C@H]2N 723204413 WZWBMCUSBYNGKT-UFBFGSQYSA-N 276.340 0.457 10 10 CCCE CC[S@](=O)CCNC(=O)/C=C/c1ccc(O)c(O)c1 779514790 NNXZWAOAAJHCJU-OQBYNLHGSA-N 283.349 0.996 10 10 CCCE Nc1ccc(NC(=O)N[C@@H]2CCC(=O)NC2=O)cc1 90018101 UPBSUUMLJPCCPV-SECBINFHSA-N 262.269 0.196 10 10 CCCE OCc1nnn2c1CN(Cc1cc(F)cc(F)c1O)CC2 894808073 GHOAQSZXLMQZDI-UHFFFAOYSA-N 296.277 0.770 10 10 CCCE COC(=O)[C@@H](CO)NCc1ccc(N(C)C)cc1 83392002 MEDHDBDTLBZVMD-GFCCVEGCSA-N 252.314 0.376 10 10 CCCE N[C@@H](c1nnc(C2CNC2)o1)c1cc(O)ccc1O 83452517 UCGGVFBGGNGINP-SNVBAGLBSA-N 262.269 0.216 10 10 CCCE CS(=O)(=O)NC1CN(c2ccc(CN)cc2Cl)C1 703017010 XTQKRAVABYOFJX-UHFFFAOYSA-N 289.788 0.537 10 10 CCCE CN(C(=O)Cc1ccc(N)cc1)[C@@H]1COC[C@@H]1O 709116704 GXAVXINKWYWRNT-NEPJUHHUSA-N 250.298 0.029 10 10 CCCE O=C(O)[C@@H]1OCC[C@H]1CNCc1ccc(O)cc1O 716292774 UVWWVFYCPWWUBM-JOYOIKCWSA-N 267.281 0.677 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1C[C@@H]2C[C@@]2(C(=O)O)C1 693272191 DUGPKKFJMSFJTH-ISVAXAHUSA-N 263.249 0.645 10 10 CCCE COc1ccc(O)c(CN2CC(CCN)(OC)C2)c1 1916761913 AESPFIJQUCRDDW-UHFFFAOYSA-N 266.341 0.950 10 10 CCCE Nc1ccc(CCCN2C[C@@H](O)C[C@H]2C(=O)O)cc1 2123046300 NMDQSAPRCZKLHC-STQMWFEESA-N 264.325 0.721 10 10 CCCE O=C(N[C@H]1CC[C@H](CO)CC1)c1cc(O)nc(O)c1 2118491597 QVUJUWBAHPQDTQ-CZMCAQCFSA-N 266.297 0.774 10 10 CCCE Cc1cc(CN)ccc1N1CC2(CNS(=O)(=O)C2)C1 2119567642 RZGHYNHAROJMJN-UHFFFAOYSA-N 281.381 0.193 10 10 CCCE N[C@@H]1CC(C(=O)N2CCCc3ncccc32)=C[C@@H]1O 2131477476 OWJUKTVGPZZRDK-MFKMUULPSA-N 259.309 0.379 10 10 CCCE CN(C)C(=O)CCN(C)C(=O)c1cccc(O)c1O 2131950401 QGACZEGTHFKJTN-UHFFFAOYSA-N 266.297 0.648 10 10 CCCE O=C(O)C=Cc1ccc(N2CC(=O)NC(=O)C2)cc1Cl 1912108692 VYHGPDQXSKCQFL-UHFFFAOYSA-N 294.694 0.901 10 10 CCCE [N-]=[N+]=NC1CN(Cn2nnc3ccccc3c2=O)C1 1912169277 IYZXTSVYBRUKEG-UHFFFAOYSA-N 257.257 0.744 10 10 CCCE Cn1cc(S(=O)(=O)N2CC[C@H](CN=[N+]=[N-])C2)nn1 1912210501 KKIKAIZXICJSAS-SSDOTTSWSA-N 271.306 0.136 10 10 CCCE Nc1ccc(OC[C@@H](O)CN2CCC[C@@H](O)C2)cc1 218329597 DQWUEJISAFAOCJ-OLZOCXBDSA-N 266.341 0.465 10 10 CCCE CCCN(Cc1ccc(N)cc1)S(=O)(=O)N1CC(O)C1 1914167509 NMPWFVHIBBTCHL-UHFFFAOYSA-N 299.396 0.402 10 10 CCCE NC(=O)[C@H]1CCCC[C@H]1NC(=O)Cc1ccc(O)c(O)c1 1294146918 OKSVSTAUEKFDCU-WDEREUQCSA-N 292.335 0.801 10 10 CCCE NC(=O)N1CC(NCc2ccc(F)c(F)c2O)C1 1917753989 AUDYAQQQVUSSIH-UHFFFAOYSA-N 257.240 0.523 10 10 CCCE CN(C)[C@@H]1COC[C@H]1NC(=O)CCc1ccc(N)cc1 1922058923 BWMNHHPLHSHYDJ-ZIAGYGMSSA-N 277.368 0.647 10 10 CCCE CNC(=O)C(C)(C)CNC(=O)Cc1ccc(O)c(O)c1 1636712217 NAWASULQLCPXRD-UHFFFAOYSA-N 280.324 0.529 10 10 CCCE O=C(NC1(CO)CCOCC1)c1cccc(O)c1O 230733335 WKNZVEBXUBBWMU-UHFFFAOYSA-N 267.281 0.369 10 10 CCCE CC1(C)CN(C(=O)c2ccc(O)c(O)c2)C[C@@H](CO)O1 232806947 MAYYUIGPGBCARO-JTQLQIEISA-N 281.308 0.710 10 10 CCCE NC(=O)[C@@H](NC[C@H]1CCCO1)c1ccccc1O 166109659 JECYDRCFJLJVJD-SKDRFNHKSA-N 250.298 0.687 10 10 CCCE CCN[C@H]1C(=O)Nc2cc(N3CCO[C@H](CO)C3)ccc21 167219096 CLAWZZNWPZFSOK-SMDDNHRTSA-N 291.351 0.487 10 10 CCCE [N-]=[N+]=NCCCN[C@@]1(C(N)=O)CCN2CCC[C@H]2C1 156579382 HQZAZBZZANDCIS-JQWIXIFHSA-N 266.349 0.759 10 10 CCCE COc1ccc(O)c(CN(C)C[C@@H]2CNCCO2)c1 125411190 CJGUNPNAWWCLAO-ZDUSSCGKSA-N 266.341 0.821 10 10 CCCE Oc1c(F)cccc1CN[C@@H]1CCn2nnnc2C1 1875665875 DYTVJCMTHQQMDH-SECBINFHSA-N 263.276 0.622 10 10 CCCE NC[C@@H]1CC[S@](=O)(=NC(=O)Cc2ccc(N)cc2)C1 1876441770 HXBNKNCKQIAIGQ-JEOXALJRSA-N 281.381 0.785 10 10 CCCE COC[C@]1(NC(=O)Cc2ccc(N)cc2)CCNC1 1876434626 SZUDAWJBYMKVMQ-AWEZNQCLSA-N 263.341 0.306 10 10 CCCE NCc1ccc(N2CCN3C(=O)NC[C@@H]3C2)c(F)c1F 236259371 FSYYDWHROXJULH-SECBINFHSA-N 282.294 0.637 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1C[C@H]2CCNC[C@H]2C1 2144025704 QAOKMYVRPGOBHX-NEPJUHHUSA-N 276.336 0.708 10 10 CCCE C[C@@H]1CN(c2ccc3c(c2)N(C)C(=O)[C@@H]3N)CC[C@@H]1O 166412493 IRIJILKZINJUGI-BIGNPOOSSA-N 275.352 0.870 10 10 CCCE Nc1ccc(CC(=O)N2CCCCC2(CO)CO)cc1 2146073231 PTZUYPLWVBJIBG-UHFFFAOYSA-N 278.352 0.547 10 10 CCCE C[C@@H](NS(=O)(=O)Cc1ccc(N)cc1)C(=O)N(C)C 36129364 ASEKLELSZBJXGV-SECBINFHSA-N 285.369 0.165 10 10 CCCE CS(=O)(=O)CC[C@@H]1NC(=O)N(c2ccc(N)cc2)C1=O 37515019 SQPRPESRJQBDRZ-JTQLQIEISA-N 297.336 0.128 10 10 CCCE CCN1CCO[C@H](CNC(=O)Cc2ccc(N)cc2)C1 165737136 YRXVJGMAZOJRQQ-CQSZACIVSA-N 277.368 0.648 10 10 CCCE CNCc1ccc(N2CC[C@@H](N3CC(O)C3)C2)cc1C 2158750476 FRHJINDBDIXKFN-OAHLLOKOSA-N 275.396 0.970 10 10 CCCE CS(=O)(=O)[C@H]1CCN(c2ccc(CN)cc2)C1 2009689498 KYKBFEGVMJBHMX-LBPRGKRZSA-N 254.355 0.769 10 10 CCCE COC1(CO)CN(c2ccc([C@H](C)O)cc2[N+](=O)[O-])C1 2157307237 FZTVLQRUGHRETD-VIFPVBQESA-N 282.296 0.846 10 10 CCCE Nc1ccc(N2CCN(CCn3cncn3)CC2)cc1 312501761 QSPWPRGJQFZEQV-UHFFFAOYSA-N 272.356 0.683 10 10 CCCE Cc1cc(N2CCC[C@@](O)(CO)C2)ccc1CN 313665984 XXKOFBRCLMJFMX-AWEZNQCLSA-N 250.342 0.777 10 10 CCCE Nc1ccc(OCCCN2C[C@@H](O)[C@@H](CO)C2)cc1 316159889 OKJFMEXSEZZDSA-BXUZGUMPSA-N 266.341 0.323 10 10 CCCE CN(C)CCC1CN(S(=O)(=O)Cc2ccc(N)cc2)C1 2176677236 GTVYUMAVNKUCCB-UHFFFAOYSA-N 297.424 0.982 10 10 CCCE CCc1cccc(CNCC(=O)NCCOC)c1O 691442799 DGSGYWQFLSXKBN-UHFFFAOYSA-N 266.341 0.807 10 10 CCCE O=C(O)[C@@H]1CO[C@H](CNCc2ccc(O)cc2O)C1 714010940 UVOVOYHIBGCMDW-ONGXEEELSA-N 267.281 0.677 10 10 CCCE N#Cc1cc(CN)ccc1N1CCSC[C@@H]1CO 388087528 NJVGMLNXHPLYKZ-LBPRGKRZSA-N 263.366 0.931 10 10 CCCE C[C@@H]1CN(CC(=O)Nc2ccc(N)cc2)S(=O)(=O)C1 393569111 SRTWELRCHHYMRR-SECBINFHSA-N 283.353 0.489 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N3C[C@@H]4C[C@H](C3)C4O)ccc21 2172931487 KJXATZROVDYDCQ-JOOHILKBSA-N 273.336 0.716 10 10 CCCE COC(=O)NS(=O)(=O)N(C)Cc1ccccc1O 394885544 BZKCEDJHKNCFMQ-UHFFFAOYSA-N 274.298 0.425 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC2(F)CC1C2 2167645409 ZFTKQUVACDTXJP-XIRUVYRFSA-N 280.299 0.681 10 10 CCCE COc1ccc(O)c(CN[C@@H]2CCN(CC(=O)O)C2)c1 2169329680 CFABTHWROUHHIG-LLVKDONJSA-N 280.324 0.649 10 10 CCCE CCOc1cccc(CN2CC[C@H](N)[C@H](CO)C2)c1O 2178903295 NBPCKFHHSOQZBI-STQMWFEESA-N 280.368 0.932 10 10 CCCE CCOC(=O)C12CC(CN=[N+]=[N-])(C1)OC21CNC1 2081104226 LQXYWIQKWRQWEN-UHFFFAOYSA-N 252.274 0.751 10 10 CCCE C[C@@]1(O)CCN(C(=O)c2cc(O)c(O)c(O)c2)C1 1148583331 YUMVQRZIAKZXOA-GFCCVEGCSA-N 253.254 0.400 10 10 CCCE C[C@H]1CNC[C@@H](CCNC(=O)c2ccc(O)c(O)c2)O1 2181162372 FKVNWYDAWVFNHY-GXSJLCMTSA-N 280.324 0.595 10 10 CCCE CCC[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)C(=N)NO 2188914650 BURWDNFBXLBWBK-SSDOTTSWSA-N 283.284 0.658 10 10 CCCE CCCN[C@H](c1ccccc1O)[C@H](O)c1nnnn1C 2196242081 XLSLKJJNFVANFD-NEPJUHHUSA-N 277.328 0.690 10 10 CCCE CC(C)N1C[C@H](O)[C@H](N2CCc3cc(CN)ccc32)C1 2189917688 BOIFLKIXCXCBJO-CVEARBPZSA-N 275.396 0.961 10 10 CCCE N=C(NO)C1CN(C(=O)c2cccc(O)c2O)C1 2046124430 IDVKDHQUIAOXIF-UHFFFAOYSA-N 251.242 0.126 10 10 CCCE COc1ccc([C@H](C)NCC[C@@H](O)CO)c(O)c1 2061851950 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Nc1ccc(CCN2C[C@H]3C[C@@H](O)[C@@H](O)[C@H]2C3)cc1 2116697843 FIPRXQGUYZMFAM-NGFQHRJXSA-N 262.353 0.627 10 10 CCCE Cn1[nH]c(=NC(=O)COc2ccc(N)cc2)cc1F 2126385606 JZSIZJFUFLPUSY-UHFFFAOYSA-N 264.260 0.581 10 10 CCCE NC(=O)[C@@]1(O)CCN(c2ccc3c(c2)CC[C@H]3N)C1 2128311356 TUCMFEAIWOIWNY-TZMCWYRMSA-N 261.325 0.059 10 10 CCCE N[C@@H]1CCc2cc(N3C[C@H](CO)[C@@H](CO)C3)ccc21 2128312033 CGNKCWAFNAAXSB-LALPHHSUSA-N 262.353 0.670 10 10 CCCE O=C(N[C@@H]1CCCC[C@@H]1O)c1cc(O)c(O)c(O)c1 2132348744 RJXQIMIULIZZLE-BDAKNGLRSA-N 267.281 0.837 10 10 CCCE C[C@H](C1CNC1)N(C)C(=O)c1cc(O)c(O)c(O)c1 2132413326 MCIPTVAKLKKZQO-SSDOTTSWSA-N 266.297 0.483 10 10 CCCE CC1(C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)CS(=O)(=O)C1 1912156980 PIBVRUSJEMSQNJ-MRVPVSSYSA-N 272.330 0.722 10 10 CCCE [N-]=[N+]=NC1CCN(C(=O)[C@H]2CCC(=O)NC2)CC1 1912206928 VENMKGSWUHARSD-QMMMGPOBSA-N 251.290 0.814 10 10 CCCE C[C@H](F)[C@H](NC(=O)c1cc(O)c(O)c(O)c1)C(=O)O 2133550521 XWUZWFINOUKULE-NVNXEXLPSA-N 273.216 0.344 10 10 CCCE CN(C)[C@@H]1COC[C@H]1NC(=O)COc1ccc(N)cc1 1922032923 DVLOBAYLRFSSAN-CHWSQXEVSA-N 279.340 0.093 10 10 CCCE CN(Cc1ccccc1O)C(=O)c1ns[nH]c1=O 1629955197 WVVOONOSRAEYRZ-UHFFFAOYSA-N 265.294 0.809 10 10 CCCE CN(C)[C@@H]1COC[C@@H]1CNC(=O)c1ccc(O)c(O)c1 1924724611 MUTWGTOCNJKURS-WDEREUQCSA-N 280.324 0.404 10 10 CCCE C[C@H](NC(=O)C1(O)COC1)c1ccc(N(C)C)cc1 1638957849 YJRGSKJJNVYXLP-JTQLQIEISA-N 264.325 0.691 10 10 CCCE C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)C[C@H]1O 1648665670 KRHGCOGCKFEIFZ-HZGVNTEJSA-N 255.245 0.690 10 10 CCCE O=C1CO[C@@H]2CCN(C(=O)c3cc(O)cs3)C[C@H]2N1 1570103418 RVYZCSPRSNJZFC-RKDXNWHRSA-N 282.321 0.183 10 10 CCCE CN(C(=O)/C=C\c1ccc(O)c(O)c1)c1nn[nH]n1 1585911123 UQAYTPMIUHQFKA-HYXAFXHYSA-N 261.241 0.287 10 10 CCCE NC(=O)c1ccc(C(=O)NCc2ccc(O)c(O)c2)[nH]1 1595596398 VUDDRPJFWBOQKC-UHFFFAOYSA-N 275.264 0.455 10 10 CCCE COC(=O)CS(=O)(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-] 2213589945 ITMOGIBXBNHGRQ-RQJHMYQMSA-N 262.291 0.310 10 10 CCCE NCC1(C(=O)N2C(=O)Cc3cc(N)ccc32)CCC1 258773174 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CO[C@@H]([C@@H](NN)c1ccccc1O)[C@@H]1CCOC1 2032892174 GCZNXAVNZWZDPR-JIMOISOXSA-N 252.314 0.948 10 10 CCCE CN(CC(=O)NC1CCOCC1)c1ccc(CN)cc1 62768162 XGMMXCVFVDWQBS-UHFFFAOYSA-N 277.368 0.877 10 10 CCCE O=C1Nc2cc(N3CC(F)(F)C[C@@H]3CO)ccc2[C@H]1O 2159059733 KLVSESRBIOFJQS-LDYMZIIASA-N 284.262 0.878 10 10 CCCE COc1ccc(N2CCN(C[C@H](N)CCN)CC2)cc1 2159059282 WLRPHVORYSVHPT-CYBMUJFWSA-N 278.400 0.493 10 10 CCCE COc1cccc(CNCCCCS(N)(=O)=O)c1O 311911086 RDWGFYRRYNDFIH-UHFFFAOYSA-N 288.369 0.559 10 10 CCCE COCC[C@H](COC)NC(=O)COc1ccc(N)cc1 313125920 CVFGVTAGIVWVEE-GFCCVEGCSA-N 282.340 0.815 10 10 CCCE CC[C@H](O)[C@H](CC)NC(=O)c1cc(O)nc(O)c1 313121256 RTUFCWAQNCDXTO-IUCAKERBSA-N 254.286 0.772 10 10 CCCE NCc1ccc(N2C[C@@H](O)[C@@H](CO)C2)c(Cl)c1 316461236 HMDLZNAQLVDRQN-BXKDBHETSA-N 256.733 0.588 10 10 CCCE NC(=S)CN(C(=O)c1ccc(O)c(O)c1)C1CC1 706713378 NOQDNJOCICQRIS-UHFFFAOYSA-N 266.322 0.989 10 10 CCCE CO[C@@H]1CN(C(=O)c2cccc(O)c2O)C[C@H]1C(=O)O 690157689 QUTQBXRKLLQQSF-PSASIEDQSA-N 281.264 0.269 10 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COC(=O)[C@H]1C[C@@H]1C(=O)NCCc1ccc(N)cc1 832658855 DQHUQVGOCJKAQA-RYUDHWBXSA-N 262.309 0.737 10 10 CCCE CO[C@H](C)CNC(=O)c1cnn2c(O)cc(C)nc12 2063737738 RLLFNODCIRFNOD-MRVPVSSYSA-N 264.285 0.508 10 10 CCCE CCO[C@H]1CN(C(=O)c2cc(O)nc(O)c2)CC[C@H]1O 2180075438 YWSHXNRYTMRYBL-ZJUUUORDSA-N 282.296 0.105 10 10 CCCE CN=c1ccc(C(=O)N(C)Cc2ccccc2O)n[nH]1 2192589393 JAPITUVTVZYZMV-UHFFFAOYSA-N 272.308 0.918 10 10 CCCE CC(C)(/C=C/C(=O)O)NC(=O)c1cc(O)c(O)c(O)c1 2188867458 ASMXMEHDYZVRCV-ONEGZZNKSA-N 281.264 0.953 10 10 CCCE CCN1C[C@H](NC(=O)c2cc(O)c(O)c(O)c2)CC1=O 2188875669 SOLXEYKLPIGBTA-MRVPVSSYSA-N 280.280 0.154 10 10 CCCE CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](O)CCN 2184213258 HCQROCZBZUGOQQ-AWEZNQCLSA-N 279.384 0.811 10 10 CCCE CN[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1C 2051928781 QWHXXVMARKEDQB-CBAPKCEASA-N 251.286 0.315 10 10 CCCE O=C(c1cccc(O)c1O)N1C[C@H](F)[C@@H](CO)C1 2056998362 LHYWJGZCDYODDC-APPZFPTMSA-N 255.245 0.500 10 10 CCCE CN(CCOCCN)c1cc2c(cc1N)NC(=O)CC2 2191615351 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Nc1ccc(NC(=O)COCC2COCCOC2)cc1 2203701196 FUZMJWSQNPOYCM-UHFFFAOYSA-N 280.324 0.887 10 10 CCCE CNCc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3C(N)=O)cc1OC 2204555839 AEFDYJCRVOEVMN-IMRBUKKESA-N 275.352 0.582 10 10 CCCE C[C@H](O[C@@H](C)C(=O)N1CC[C@@H](N=[N+]=[N-])C1)C(=O)O 2218746071 VCFMQAMTLOMQOW-BIIVOSGPSA-N 256.262 0.776 10 10 CCCE Oc1cc(F)ccc1CN1CCNCCNCC1 2220643068 OOMFDUXZUPJIAF-UHFFFAOYSA-N 253.321 0.526 10 10 CCCE Cc1cc([C@@H](C)N)ccc1N1CC(=O)NC(=O)[C@H]1C 2232026082 DWNDQRWAOCXBHR-NXEZZACHSA-N 261.325 0.866 10 10 CCCE CN(C(=O)CN1C[C@@H](O)C[C@@H](F)C1)c1ccc(N)cc1 2234661021 TYEHIZSZIWJEMF-MFKMUULPSA-N 281.331 0.636 10 10 CCCE COCCNCc1cc(OC)ccc1N(C)CC(N)=O 2235953437 AXKBZMMSIOTRJK-UHFFFAOYSA-N 281.356 0.353 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1C[C@@H](CO)C[C@@H](CO)C1 2236626754 DLNGVMBCKDSSBQ-AOOOYVTPSA-N 281.308 0.161 10 10 CCCE CNCc1cc(OC)ccc1N1CC(=O)NC[C@@H]1C 2227675210 GBWNIVMIIKVHOW-JTQLQIEISA-N 263.341 0.739 10 10 CCCE C[C@]1(Cn2ccc3c(c2=O)CNCC3)CCNC1=O 2228431194 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CCCE C[C@@H](c1c(O)cccc1O)N1CCO[C@@H]2CNC[C@@H]21 2328905060 OSZFMMWOJKPWAG-OUJBWJOFSA-N 264.325 0.831 10 10 CCCE OCc1ccc(N2C[C@@H]3C[C@H]2[C@@H](O)[C@H](O)C3)c(F)c1 2330387842 YKTWQTAAGAONJR-GJQVQUKXSA-N 267.300 0.638 10 10 CCCE O=S1(=O)C[C@@H](O)[C@H](N[C@H]2CCc3cccc(O)c32)C1 2330863480 FXNYZTLBNCXGPJ-HOSYDEDBSA-N 283.349 0.127 10 10 CCCE CN[C@@H](C)c1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CF)cc1 2333235527 LEERSPXPQCQOJM-WTDIUWLJSA-N 268.332 0.847 10 10 CCCE CNCc1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CF)cc1C 2333235261 GTMDJJZSBIDLNJ-MCIONIFRSA-N 268.332 0.594 10 10 CCCE C[C@H]1CN(c2ccc3c(c2)N(C)C(=O)[C@@H]3O)C[C@@H]1O 2341407380 RNGDPOGPDKKJSZ-AQUOVQTQSA-N 262.309 0.513 10 10 CCCE O=C(c1cccc(O)c1O)N1C[C@H]2C[C@H]1[C@H](O)[C@H](O)C2 2355337238 ASSMESJVFDQDTA-ALLMZLOKSA-N 279.292 0.054 10 10 CCCE COCCN[C@H](C(N)=O)c1ccc(N(C)C)cc1 53256689 YKXPPUAPESPFBT-LBPRGKRZSA-N 251.330 0.515 10 10 CCCE CN1C(=O)C(=C/C=C2\SCCN2C)C(=O)N(C)C1=O 100287651 RMRBWMGKRIPABI-UITAMQMPSA-N 281.337 0.483 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1[C@H]2CC[C@H](C2)[C@@H]1CO 2356974840 DWABWNVHKXNGNR-JEZHCXPESA-N 279.292 0.789 10 10 CCCE COCCNS(=O)(=O)Nc1ccc(O)cc1F 128808410 LJVNJJNJFUBRTO-UHFFFAOYSA-N 264.278 0.424 10 10 CCCE C[C@H]1CN(Cc2cc(N)ccc2O)C[C@@H](CO)O1 229948379 OBSHGQOYCPMWIN-CABZTGNLSA-N 252.314 0.556 10 10 CCCE CN[C@@H]1COC[C@@H]1C(=O)NCc1ccccc1O 228423572 WFOZWPFOKWPAQI-WDEREUQCSA-N 250.298 0.243 10 10 CCCE NC(=O)CC1CCN(CC(=O)c2ccc(O)c(O)c2)CC1 42438158 LSEIEZRUALGUHV-UHFFFAOYSA-N 292.335 0.868 10 10 CCCE CNCc1ccc(N2C[C@H](O)[C@H](O)C2)c(Cl)c1 234381528 BKEWGZUXEJFZTB-TXEJJXNPSA-N 256.733 0.601 10 10 CCCE CC(C)N(C)S(=O)(=O)Nc1ccc(O)cc1N 232619715 CXHXDPJMDRPLCU-UHFFFAOYSA-N 259.331 0.971 10 10 CCCE C[C@]1(C(N)=O)CCN(c2ccc(CN)cc2F)C1 235759880 KVLYASYNJKQVDT-ZDUSSCGKSA-N 251.305 0.986 10 10 CCCE CCOC(=O)[C@@H](N)[C@H](OC)c1cc(O)c(O)c(O)c1 1952306664 OXEMPYKNSIDZTP-GXSJLCMTSA-N 271.269 0.381 10 10 CCCE CC(=O)N1CCN(C(=O)c2cccc(O)c2O)[C@@H](C)C1 279310028 OFWLDVIKKNINAS-VIFPVBQESA-N 278.308 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CCCE CN(C)c1ccc(C=CC(=O)Nc2nn[nH]n2)cc1 1911873904 MMMMYMARVBIKKN-UHFFFAOYSA-N 258.285 0.918 10 10 CCCE C[C@@H]1[C@H](O)CCN1CC(=O)c1ccc(O)c(O)c1 1914258698 YELIWBBKNAIZQF-PSASIEDQSA-N 251.282 0.736 10 10 CCCE C[C@@H](CCO)N(C)c1ccc2c(c1)N(C)C(=O)[C@H]2N 1917032982 KAEQCUVRKYDVBW-ZANVPECISA-N 263.341 0.870 10 10 CCCE COc1ccc(N2CC(OC)(C(=O)O)C2)c([N+](=O)[O-])c1 1917712944 QEQJSRKXCLQXCX-UHFFFAOYSA-N 282.252 0.893 10 10 CCCE C[C@@H](c1c(O)cccc1O)N1C[C@@H](O)C[C@H]1C(=O)O 2136120137 FYKGNTADGXDALT-CIUDSAMLSA-N 267.281 0.679 10 10 CCCE CN1CC[C@H](NC(=O)c2ccc(O)c(O)c2)C1=O 227032507 AQUHUXVUCGFTPD-QMMMGPOBSA-N 250.254 0.058 10 10 CCCE C[C@@H](CCNC(=O)Cc1ccc(O)c(O)c1)[S@@](C)=O 1545412148 NFNKRMWNIUOTDW-ZRNGKTOUSA-N 285.365 0.914 10 10 CCCE C[C@H]1OCC[C@]1(O)CNC(=O)Cc1ccc(N)cc1 227096218 SQMSZLBFTAJJER-YGRLFVJLSA-N 264.325 0.467 10 10 CCCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnc(O)n1C 1611430514 DRQORADQPWIRMM-QMMMGPOBSA-N 291.307 0.898 10 10 CCCE Cn1nnc(CNC(=O)NCc2cccc(Cl)c2O)n1 1564687050 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CCN[C@@H](C)CNC(=O)Cc1ccc(O)c(O)c1 2027475090 PJEARUCQPOZESD-VIFPVBQESA-N 252.314 0.755 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CCNO1 2035856275 FBFINCXOFOMAQW-NSHDSACASA-N 252.270 0.050 10 10 CCCE CO[C@@H](CCNC(=O)c1cccc(O)c1O)C(=O)O 401518811 MRRUITVGIRRIAR-VIFPVBQESA-N 269.253 0.317 10 10 CCCE COc1ccc(O)c(CN2CC[C@@](O)(CC(=O)O)C2)c1 2160864192 FYIDHIQHRSQWAJ-CQSZACIVSA-N 281.308 0.812 10 10 CCCE CNC(=O)CN1CCN(Cc2c(O)cccc2Cl)CC1 700801325 KPNXPWQSPJMWMI-UHFFFAOYSA-N 297.786 0.909 10 10 CCCE CN1CCC[C@H](NC(=O)c2ccc(O)c(O)c2)C1=O 703724543 GOWFQPLMNUVFTA-VIFPVBQESA-N 264.281 0.448 10 10 CCCE CN1C[C@@H](NC(=O)[C@H]2CNc3ccccc3N2)CC1=O 380700059 NPXLKLYQLRZMGP-JOYOIKCWSA-N 274.324 0.240 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN1S(=O)(=O)c1cccnn1 712809547 LKAQPBXYGCTRER-MRVPVSSYSA-N 268.302 0.940 10 10 CCCE CN(C)C1[C@H]2CN(C(=O)c3cccc(O)c3O)C[C@H]12 384721216 IHEUVCZBHUOBHT-UWVGGRQHSA-N 262.309 0.730 10 10 CCCE C[C@@H]1[C@@H](NC(=O)c2cccc(O)c2O)CCN1C 719336384 IDIMAKNUHYKECJ-SCZZXKLOSA-N 250.298 0.920 10 10 CCCE O=S(=O)(C[C@H]1CCNC1)Nc1ccc(O)c(F)c1 722227525 GOJINHWGLJMNIQ-QMMMGPOBSA-N 274.317 0.883 10 10 CCCE CNCc1ccc(N2CC[C@H](O)[C@H](CO)C2)c(C)c1 396829303 DCBGNSQZNOIGFI-ZFWWWQNUSA-N 264.369 0.894 10 10 CCCE C[C@@H](O)CN1CCN(c2c(F)cc(CN)cc2F)CC1 2170220723 JSXQKMWYXXPZKF-SNVBAGLBSA-N 285.338 0.926 10 10 CCCE O=C(O)Cc1cc(O)n2nc(C3CC3)c(C(=O)O)c2n1 2080931025 YUDOMNRLOUZJEF-UHFFFAOYSA-N 277.236 0.638 10 10 CCCE COc1ccc(N2CCNC[C@@]2(C)CO)cc1F 2044511462 ILPNFROBOSWJHI-ZDUSSCGKSA-N 254.305 0.995 10 10 CCCE C[C@H](NCCCNC(N)=O)c1ccc(O)cc1O 2048907319 WVHYLSXWTXESOW-QMMMGPOBSA-N 253.302 0.807 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)[C@H]2C[C@@H]3CNC[C@@H]3C2)C1 2049783383 VMDAAQYOOCTJLP-GCGFNFFWSA-N 250.342 0.498 10 10 CCCE NN[C@H](c1ccccc1O)C1[C@H]2CS(=O)(=O)C[C@H]12 2054214097 YREPWKBURLGUBZ-HOTUBEGUSA-N 268.338 0.187 10 10 CCCE Nc1ccc(CS(=O)(=O)NCCO[C@H]2CCNC2)cc1 2191759260 BJVNAMVIFITRQV-ZDUSSCGKSA-N 299.396 0.067 10 10 CCCE Nc1ccc(NC(=O)NC[C@H]2CNC(=O)O2)cc1 2066435608 VLROZOAUNMKQKH-VIFPVBQESA-N 250.258 0.499 10 10 CCCE CN([C@H]1CC[C@@H]1N)S(=O)(=O)Cc1ccc(N)cc1 2071565306 KZMVAIZCZLQXER-RYUDHWBXSA-N 269.370 0.520 10 10 CCCE NC[C@]1(C(=O)NCCc2ccc(O)c(O)c2)CC1(F)F 2196695628 RGTMYDWGQJXSMA-LBPRGKRZSA-N 286.278 0.741 10 10 CCCE COc1ccc(N2CC[C@H](CO)[C@@H](N)C2)c(N)c1 2071737521 CZBWPJVOSJQZFG-SKDRFNHKSA-N 251.330 0.423 10 10 CCCE C[C@@H](NCc1ccc(N(C)C)cc1)C(=O)NC(N)=O 2104186443 OVOJYPPOQHUXBN-SECBINFHSA-N 264.329 0.426 10 10 CCCE C[C@H](N)c1ccc(N2C[C@H]3C[C@H]2[C@H](O)[C@H]3O)c(F)c1 2104426056 RUGMTPBIQKQIKQ-SMGVIWHKSA-N 266.316 0.776 10 10 CCCE CN(C)c1ccc([C@H](N)[C@@H](O)c2cnn(C)n2)cc1 2106860522 SSYQSCFHVYBJQW-STQMWFEESA-N 261.329 0.615 10 10 CCCE O=C(O)CC1CN(C(=O)Cc2ccc(O)c(O)c2)C1 2087725767 ZMEGGCWRDDBISY-UHFFFAOYSA-N 265.265 0.573 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3CC=C[C@H](O)C3)cc21 2108780108 NZXBFLKLLFUBKU-GXFFZTMASA-N 259.309 0.400 10 10 CCCE NC(=O)CN(CCOC(F)F)Cc1ccc(N)cc1 2093838629 CMMKYZOHJZDVEE-UHFFFAOYSA-N 273.283 0.795 10 10 CCCE NCc1ccc(N2CC[C@H]3CS(=O)(=O)C[C@H]32)cc1F 2094932383 ZTMJJNLHMGTUAM-GXFFZTMASA-N 284.356 0.908 10 10 CCCE CN(Cc1ccc(N(C)C)cc1)C(=O)C1(N)COC1 2097158915 QKNUZRZJCDPNSP-UHFFFAOYSA-N 263.341 0.439 10 10 CCCE CC[C@H](c1ccccc1O)N1C[C@H](O)[C@@H](O)[C@@H]1C(=O)O 2200864309 QEBZZHWBGREPEK-GWNIPJSYSA-N 281.308 0.334 10 10 CCCE NCc1nnc2n1CCN(Cc1cc(F)ccc1O)C2 2203327707 LHSOMINXBGKHJC-UHFFFAOYSA-N 277.303 0.597 10 10 CCCE CNC(=O)[C@H](C)N(C)c1ccc(OC)cc1CN 2220416559 BJLHPYUXYTZEDZ-VIFPVBQESA-N 251.330 0.725 10 10 CCCE Cc1cc([C@@H](C)O)ccc1N1CC(=O)NC(=O)[C@H]1C 2232105186 AYJSUNTZCHTOBR-NXEZZACHSA-N 262.309 0.900 10 10 CCCE COC(=O)[C@H]1CC[C@H]1NC(=O)c1cccc(O)c1O 2224840303 BLPOGGOZWAYWLJ-IONNQARKSA-N 265.265 0.779 10 10 CCCE COc1ccc(N2C[C@@H]3CN[C@@H](CO)[C@@H]3C2)c(F)c1F 2235564654 IIKPIFGTTCJZAY-AEJSXWLSSA-N 284.306 0.990 10 10 CCCE COCCOCCOCC(=O)N1CC[C@@H](CN=[N+]=[N-])C1 2236043618 LYOCUYCXSLJFNO-NSHDSACASA-N 286.332 0.825 10 10 CCCE Cc1cc(N2C[C@H]3COC[C@]3(CO)C2)ccc1CO 2226169357 QVGVTIXHNUXLKZ-DZGCQCFKSA-N 263.337 0.932 10 10 CCCE Nc1ccc(N2CCN(C[C@H]3CNC(=O)C3)C2=O)cc1 2236798211 CYIBINIEIQKFGQ-SNVBAGLBSA-N 274.324 0.647 10 10 CCCE Cc1cc(CN)ccc1N1C[C@@H](CO)C[C@@H](CO)C1 2228407830 ZWGHISZUUMZSLW-OKILXGFUSA-N 264.369 0.881 10 10 CCCE O=[N+]([O-])c1cc(N2CC(O)(CCO)C2)ccc1CO 2270655538 GVWIWXVABIMIDS-UHFFFAOYSA-N 268.269 0.021 10 10 CCCE Cc1cc(CO)ccc1N1CC(O)(C(F)(F)CO)C1 2272874604 PXCFXGOWMFSLBW-UHFFFAOYSA-N 273.279 0.666 10 10 CCCE COCCN(C[C@@H](C)O)C(=O)Cc1ccc(O)c(O)c1 2287968012 YGPRTKTXFJLZDS-SNVBAGLBSA-N 283.324 0.496 10 10 CCCE CONCC(=O)N1CCc2cc(O)c(O)cc2C1 2318635578 SNRNJNJZENJBCE-UHFFFAOYSA-N 252.270 0.134 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N3CCO[C@@H]4C[C@@H]43)ccc21 2330204844 PBYKOQHHWNCXTL-YNEHKIRRSA-N 259.309 0.877 10 10 CCCE Nc1cccc(C(=O)O)c1N[C@H]1CO[C@@H]2CNC[C@@H]21 2332131193 UFFSMJVAUNRCAZ-DVVUODLYSA-N 263.297 0.366 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3CC(=O)N[C@@H]4CC[C@@H]43)ccc21 2355077893 KEZBIEXQCWDXPA-SUZMYJTESA-N 272.308 0.106 10 10 CCCE COc1ccc([C@@H]2CC(=O)NC(NC(C)=O)=N2)cc1 6868718 RYXSDAKCIKWZBP-NSHDSACASA-N 261.281 0.748 10 10 CCCE CCOC(=O)[C@H](N)CCc1cc(O)c(O)c(OC)c1 1951525101 RQRCPNSVFPJVDH-SECBINFHSA-N 269.297 0.929 10 10 CCCE C[C@H](C(=O)O)C1CN(C(=O)c2cccc(O)c2O)C1 126087860 UOAUBPOQXPOISB-ZETCQYMHSA-N 265.265 0.891 10 10 CCCE CC(=O)N[C@H]1CCN([C@H](C)C(=O)Nc2ccc(N)cc2)C1 133818278 XVMILYXXOPVLBJ-YGRLFVJLSA-N 290.367 0.806 10 10 CCCE C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)COc1ccc(N)cc1 40330537 OTEPADTVRTTZRI-MNOVXSKESA-N 291.351 0.760 10 10 CCCE O=C(O)[C@@H]1CN(Cc2ccc(O)cc2O)CCO1 86805137 QCKWFKQNVABVBS-NSHDSACASA-N 253.254 0.383 10 10 CCCE COC(=O)C1(CS(=O)(=O)Nc2ccc(N)cc2)CC1 2274292354 WPTNVRXXJAPINK-UHFFFAOYSA-N 284.337 0.964 10 10 CCCE CC(=O)C(=O)COC(=O)[C@H]1Oc2ccccc2O[C@@H]1C 808499159 LYSDDAFAIWOSAS-RNCFNFMXSA-N 278.260 0.916 10 10 CCCE CN1CCc2cc(N3C[C@H](N)C[C@@H](C(N)=O)C3)ccc21 2163074357 RLDKSHSTKUWHJL-VXGBXAGGSA-N 274.368 0.318 10 10 CCCE CC(=O)C(=O)COC(=O)CNC(=O)c1ccoc1C 808506713 PRDWMHNTCKNGAD-UHFFFAOYSA-N 267.237 0.019 10 10 CCCE CC(=O)C(=O)COC(=O)[C@@H](C)Sc1ncccn1 808507446 MNQWQJHHPNWHAE-MRVPVSSYSA-N 268.294 0.659 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3C[C@@H]4C[C@H]3CO4)cc21 718365221 SDQXIYATHVFIPJ-OUJBWJOFSA-N 259.309 0.640 10 10 CCCE CN(C(=O)/C=C\c1cnn(C)c1)c1cc(CN)ccn1 711635311 SZSQFFFATWKWND-ARJAWSKDSA-N 271.324 0.950 10 10 CCCE Nc1ccc(CCCN2CCO[C@@H](C(=O)O)C2)cc1 1892798817 QLRFAZRWUXGRQX-CYBMUJFWSA-N 264.325 0.987 10 10 CCCE Nc1ccc(CCNC(=O)N[C@H]2C[C@@H](C(N)=O)C2)cc1 846173408 QLNCBPUGGWUOJT-KLPPZKSPSA-N 276.340 0.374 10 10 CCCE CN(Cc1ccc(N(C)C)cc1)C(=O)C1=NO[C@H](CN)C1 852882523 KFBNMZYDJRZQRG-ZDUSSCGKSA-N 290.367 0.815 10 10 CCCE O=C(NC[C@H](O)[C@H]1CCCO1)c1cc(O)cs1 862657592 KNPBIQFUYALFIK-DTWKUNHWSA-N 257.311 0.723 10 10 CCCE CC[S@](=O)CCNC(=O)CCOc1ccc(N)cc1 131904503 LBXVSPLQEOZXBC-LJQANCHMSA-N 284.381 0.923 10 10 CCCE COc1ccc(N2CC(=O)NC(=O)C2)c(OC)c1 49837833 CXBQNWJLWKRICX-UHFFFAOYSA-N 250.254 0.167 10 10 CCCE N[C@@H](Cc1nnc(-c2cccc(O)c2O)o1)C(=O)O 83480476 NNYUHQZPWXZVQT-LURJTMIESA-N 265.225 0.102 10 10 CCCE COCCNC(=O)[C@@H](N)c1cc([N+](=O)[O-])ccc1O 83512704 CJNBPPHBTSTSKL-JTQLQIEISA-N 269.257 0.063 10 10 CCCE Cc1cc(O)c(CN2C[C@H](O)C[C@H]2C(N)=O)c(Cl)c1 895945283 IVJKXNWVHMTFIG-KCJUWKMLSA-N 284.743 0.775 10 10 CCCE COc1cccc(CN(C)C2CS(=O)(=O)C2)c1O 895401244 XWSAMWBLXYLHHB-UHFFFAOYSA-N 271.338 0.630 10 10 CCCE COC[C@@H]1CCN(C[C@H](O)COc2ccc(N)cc2)C1 81041377 URHYGNLBGKKNQW-OCCSQVGLSA-N 280.368 0.977 10 10 CCCE Nc1ccc(OCCNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 63130423 WGZIJESHVQUZDW-JTQLQIEISA-N 298.364 0.199 10 10 CCCE CO[C@@H]1CS(=O)(=O)C[C@H]1N(C)Cc1ccccc1O 697038150 RRDNXRCSAIQJMM-DGCLKSJQSA-N 285.365 0.636 10 10 CCCE Nc1ccc(CCCN2CC(O)(CC(=O)O)C2)cc1 2123062118 ZQMRKQIXTFVKLZ-UHFFFAOYSA-N 264.325 0.723 10 10 CCCE COCC[C@](C)(O)CNC(=O)COc1ccc(N)cc1 230195615 XHWHFGZSDBBEHN-AWEZNQCLSA-N 282.340 0.551 10 10 CCCE CN1CCc2cc(CN3C[C@H](O)C[C@@H]3CN)ccc21 2124714840 AFFSCCLPAWVMBX-ZIAGYGMSSA-N 261.369 0.573 10 10 CCCE NC(=O)CCCCC(=O)NCc1ccc(O)c(O)c1 1321534500 OZCLBWVYTQJVGR-UHFFFAOYSA-N 266.297 0.760 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3C[C@H]4C[C@@H](O)[C@H]3C4)ccc21 2120639116 JLADARDJPWPRJO-YAUNCSCZSA-N 259.309 0.598 10 10 CCCE CC[C@@](C)(NC(=O)c1cc(O)c(O)c(O)c1)C(N)=O 2132349798 HMETUYOILBMGSX-GFCCVEGCSA-N 268.269 0.187 10 10 CCCE O=C(NC[C@H]1CCCOC1)c1cc(O)c(O)c(O)c1 2132350817 QVLPFMKGQREMEP-MRVPVSSYSA-N 267.281 0.960 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN1C(=O)[C@H]1CCS1(=O)=O 1912158486 XTECONCDPKACPF-HTQZYQBOSA-N 258.303 0.475 10 10 CCCE CCOC(=O)CCCNC(=O)CN1CC[C@H](N=[N+]=[N-])C1 1912188582 PPXMJKGSNMMWOE-JTQLQIEISA-N 283.332 0.831 10 10 CCCE CNC(=O)CN1CCN(CCCCN=[N+]=[N-])CC1 1912198481 HBCICQQEEGNLPP-UHFFFAOYSA-N 254.338 0.441 10 10 CCCE Cc1c(S(=O)(=O)N(C)CCN=[N+]=[N-])cnn1C 1912146268 AJFZAFUJWBJNIF-UHFFFAOYSA-N 258.307 0.659 10 10 CCCE [N-]=[N+]=N[C@H]1CCCN(CC(=O)N2CCOCC2)C1 1912206038 DLROBEDFHIJXQH-JTQLQIEISA-N 253.306 0.620 10 10 CCCE CCS(=O)(=O)C1CN(C(=O)Cc2ccc(O)c(O)c2)C1 1449492966 FZCSRWRIHOPAEO-UHFFFAOYSA-N 299.348 0.286 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N(C)C[C@@H](O)COC)ccc21 220251384 RDWIISNZXZZSNL-MFKMUULPSA-N 279.340 0.343 10 10 CCCE C[C@@H](O)c1ccc(N2C[C@H](O)[C@H](O)[C@H]2CO)cc1Cl 2136290083 YKMHBRZWYKCFCV-WXVIEYFRSA-N 287.743 0.296 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)c1cnn(CCO)c1 1465981702 RVRJGXATFMMWAP-UHFFFAOYSA-N 291.307 0.259 10 10 CCCE COC[C@H](CCO)NC(=O)c1ccc(O)c(O)c1 227040841 ILJWCUMRIVNEGP-VIFPVBQESA-N 255.270 0.225 10 10 CCCE COc1ccc(-c2noc(-c3nnsc3N)n2)nn1 1923201712 PDZYZOLIHPKVHX-UHFFFAOYSA-N 277.269 0.636 10 10 CCCE COCCNC(=O)CCN[C@@H](C)c1cc(O)ccc1O 228350870 NASUOYDJGPJUOB-JTQLQIEISA-N 282.340 0.901 10 10 CCCE CC[C@@](C)(NC(=O)c1ccc(C)c(O)c1O)C(N)=O 1636216210 GCOJYXQPTZWLSC-CYBMUJFWSA-N 266.297 0.790 10 10 CCCE NC(=O)c1nccnc1NCCc1ccc(O)c(O)c1 1639569965 BZRVJTYUMXEVOX-UHFFFAOYSA-N 274.280 0.641 10 10 CCCE CC(=O)NCCNC(=O)[C@@H]1CNc2ccccc2N1 229877386 WNTHEPYVKUDOHZ-LBPRGKRZSA-N 262.313 0.145 10 10 CCCE CC(CO)(CO)C(=O)NCc1c(O)ccc2c1CCCC2 154350251 CHDAHXAERWZOIV-UHFFFAOYSA-N 293.363 0.878 10 10 CCCE COc1cc(C)c(N(C)C[C@@H](N)CN)c(OC)c1 259086627 RNDHKEVFQRBERD-JTQLQIEISA-N 253.346 0.734 10 10 CCCE COCCN(CCN)C(=O)c1ccc(O)c(O)c1 234622618 YNXJFNLTMMWZGJ-UHFFFAOYSA-N 254.286 0.145 10 10 CCCE CNC[C@@H](O)CN(C)C(=O)CCc1ccc(N)cc1 1876486305 GTJPMSZPVKAIDV-CYBMUJFWSA-N 265.357 0.240 10 10 CCCE Cn1nnnc1SCCC(=O)Nc1ccc(N)cc1 19846082 TYFGQDWSKLDJLO-UHFFFAOYSA-N 278.341 0.913 10 10 CCCE CC1(C(=O)Nc2ccc(N)cc2)CS(=O)(=O)C1 1948185606 LBDUDOUMNPJJCK-UHFFFAOYSA-N 254.311 0.642 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1C[C@H]2[C@H](O)C[C@H]2C1 1965166201 QRDLYWZEWCIBNW-HOSYDEDBSA-N 263.293 0.480 10 10 CCCE CN(C)C(=O)COC(=O)CCOc1ccc(N)cc1 41100753 RMYFVOYCRHLHRX-UHFFFAOYSA-N 266.297 0.669 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CCC2(CC1)CNC2 1969549918 LJXXOCLMVIQLNW-UHFFFAOYSA-N 276.336 0.852 10 10 CCCE O=C(c1cccc(O)c1O)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 253089524 GWJOWCSDUAFIQL-INTQDDNPSA-N 263.293 0.941 10 10 CCCE CCOc1cccc(CN2C[C@@H](N)C[C@H](O)C2)c1O 1971879381 FCVZCUYYMWBQQB-RYUDHWBXSA-N 266.341 0.685 10 10 CCCE CN(Cc1csnn1)C[C@@H](O)COc1ccc(N)cc1 2150304628 FBLSLVDPNNCRTN-GFCCVEGCSA-N 294.380 0.992 10 10 CCCE CN(C)CCc1ccc(O)c([C@@H](N)CC(=O)O)c1 258340935 DINHXZSHYIDOPF-NSHDSACASA-N 252.314 0.971 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N3CCC[C@H](O)C3)cc21 155748050 OLQKAONEBCJVAY-GWCFXTLKSA-N 261.325 0.624 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)OC[C@H]1CCCO1 34460966 HMALJYTUZRAAPS-MNOVXSKESA-N 281.308 0.690 10 10 CCCE CCNC(=O)[C@@H]1COCCN1c1ccc(CN)c(C)c1 159307541 LHVLXARRQQMQGK-AWEZNQCLSA-N 277.368 0.795 10 10 CCCE CN(C(=O)Cn1nc(O)ccc1=O)c1ccc(N)cc1 37273903 DMCZWYGOUQJOMP-UHFFFAOYSA-N 274.280 0.194 10 10 CCCE Cc1nc[nH]c1S(=O)(=O)Nc1ccc(O)c(C(=O)O)c1 2149855248 KKZYQHAOYABODP-UHFFFAOYSA-N 297.292 0.923 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3C[C@@H]4C[C@@H](O)[C@H]4C3)ccc21 2151397881 RPHIVECTJGZYRY-DVXMNORISA-N 273.336 0.716 10 10 CCCE CCN(CCCO)C[C@H](O)COc1ccc(N)cc1 165083662 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CN[C@H](C)[C@@H](C)NC(=O)c1cc(O)c(O)c(O)c1 2068616499 AYQJIXCVMPZWMA-RNFRBKRXSA-N 254.286 0.530 10 10 CCCE N[C@H]1CCC[C@H](CNC(=O)c2cc(O)nc(O)c2)C1 2100298930 LJCIZAABAZFTJJ-WPRPVWTQSA-N 265.313 0.740 10 10 CCCE C[C@]1(CNCc2cccc(O)c2O)CCNC1=O 2080462814 XZMBBIUEQNDSCP-CYBMUJFWSA-N 250.298 0.714 10 10 CCCE CC1(CO)CN(C(=O)CCOc2ccc(N)cc2)C1 2101059218 LBAGJZPIISFJCE-UHFFFAOYSA-N 264.325 0.879 10 10 CCCE O=C(c1cc(O)nc(O)c1)N(CC1CC1)C1CNC1 2103943001 UQSUHVWVGIZUHT-UHFFFAOYSA-N 263.297 0.317 10 10 CCCE [N-]=[N+]=NC[C@H]1CCN(S(=O)(=O)N2CCC[C@@H]2CO)C1 2105535636 AVXHWZMUFPDYPR-NXEZZACHSA-N 289.361 0.320 10 10 CCCE COc1ccc(N2CCNCCNC(=O)CC2)cc1 2106386767 WYRXIVNJTNMJTK-UHFFFAOYSA-N 263.341 0.611 10 10 CCCE COC[C@H](CCO)Nc1c(N)cccc1C(=O)OC 2108742836 HVRMKLHSPSOZOD-VIFPVBQESA-N 268.313 0.865 10 10 CCCE C[C@@H](O)c1ccc(N2CC[C@H](OCC(N)=O)C2)cc1 2089139887 QMWSUDBTQSBSJC-MFKMUULPSA-N 264.325 0.821 10 10 CCCE O=C(O)[C@H](F)C1CN(C(=O)c2cccc(O)c2O)C1 2110530418 GBTFQHNSAHHRTI-SECBINFHSA-N 269.228 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250.298 0.272 10 10 CCCE C[C@@]1(NC(=O)c2ccc(O)c(O)c2)CCNC1=O 2260486138 AQCITXPJIZYFMA-GFCCVEGCSA-N 250.254 0.106 10 10 CCCE COc1ccc(N2CC[C@H](O)[C@H](O)CC2)c(CO)c1 2269120155 BPLPCSMKCYXHHK-OKILXGFUSA-N 267.325 0.510 10 10 CCCE Cc1cc(N2C[C@H](O)[C@H](O)[C@@H]2CF)ccc1[C@@H](C)N 2269660936 BUNFFGMYYDJJNS-IGJVIKARSA-N 268.332 0.895 10 10 CCCE CCc1cccc(CNCc2noc(C(N)=O)n2)c1O 2285735215 XIBRAQAMKKWQAK-UHFFFAOYSA-N 276.296 0.726 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3C[C@@H]4C[C@H](C3)[C@H]4O)cc21 2286197255 YPOBFNJFDKYRKD-HZZFPTLFSA-N 273.336 0.480 10 10 CCCE CO[C@@H]1[C@@H](O)C[C@@H]1NC(=O)CCOc1ccc(N)cc1 2286706480 SMJOVVHFBJIPFR-OBJOEFQTSA-N 280.324 0.302 10 10 CCCE NCc1ccc(N2C[C@@H]3C[C@H]2[C@@H](O)[C@@H]3O)cc1Cl 2308771530 PQKAULYLWQMRHI-HWNAMQAFSA-N 268.744 0.729 10 10 CCCE Cn1ncc2nc(=NN)[nH]c(Sc3nccs3)c21 2327933568 DCINUJIDBTWRRX-UHFFFAOYSA-N 279.354 0.679 10 10 CCCE CCOCCS(=O)(=O)Nc1ccc(O)cc1C(=O)O 63153763 KGYBSLTXTOQIPR-UHFFFAOYSA-N 289.309 0.869 10 10 CCCE CN(C)CCN1CCN(C(=O)Cc2ccc(N)cc2)CC1 61641932 GVAKIIXSJALICA-UHFFFAOYSA-N 290.411 0.517 10 10 CCCE C[C@H]1C[C@H](N)CN(C(=O)c2ccc(O)c(O)c2)C1 235688673 IGJUCAKDULHTGK-WPRPVWTQSA-N 250.298 0.907 10 10 CCCE COCCNC(=O)[C@H](C)NCc1ccc(O)c(O)c1 228990819 OGUWWSHWAXYIMB-VIFPVBQESA-N 268.313 0.339 10 10 CCCE CN(C)C(=O)NCCNCc1ccc(O)c(O)c1 132316675 YBOZRPDJNAWMKE-UHFFFAOYSA-N 253.302 0.459 10 10 CCCE CO[C@H](CNC(=O)c1ccc(O)c(O)c1)CC(=O)O 234767838 VYGMIJLYLRLBKW-QMMMGPOBSA-N 269.253 0.317 10 10 CCCE Nc1ccc(CNS(=O)(=O)[C@@H]2CC[C@@H](C(=O)O)C2)cc1 2162467853 WGGGQYAAWPKLKB-ZYHUDNBSSA-N 298.364 0.942 10 10 CCCE Oc1cc2c(cc1CN1CCOC[C@H](O)C1)OCO2 294904364 XOJXXMCICFLCFU-SNVBAGLBSA-N 267.281 0.314 10 10 CCCE CC(=O)C(=O)COC(=O)CN1CCc2ccccc21 808520194 NQIZETDNLNUAEJ-UHFFFAOYSA-N 261.277 0.750 10 10 CCCE CCN1CCc2cc([C@@H](NN)c3c[nH][nH]c3=N)ccc21 2163132406 BIVSHUSCDZLQLP-CYBMUJFWSA-N 272.356 0.757 10 10 CCCE NN[C@H](Cn1cnnn1)c1ccc(N2CCCC2)cc1 2163159609 CDAXNKQKBXAPBY-CYBMUJFWSA-N 273.344 0.478 10 10 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264.329 0.613 10 10 CCCE COc1ccc(CNC(=O)[C@H](O)C(C)(C)O)c(O)c1 907927561 YTXLMPRGGCLYRI-NSHDSACASA-N 269.297 0.149 10 10 CCCE CNCc1ccc(N2CCOC[C@@H]2C(=O)NC)cc1 131158977 SCYJSTPQMHDQCF-CYBMUJFWSA-N 263.341 0.357 10 10 CCCE CN(C)Cc1cc(C2(C(=O)O)CC(N)C2)ccc1O 1952853342 ZVUNPQHCJQIJJH-UHFFFAOYSA-N 264.325 0.897 10 10 CCCE COC(=O)[C@@H]1C[C@@]1(N)c1c(O)cccc1[N+](=O)[O-] 1953017241 NXJKZIGCMKZSRJ-KGFZYKRKSA-N 252.226 0.647 10 10 CCCE C[C@]1(C(=O)NCc2c(O)cccc2F)CCNC1=O 928711716 OJPWEFQVFAVFHU-ZDUSSCGKSA-N 266.272 0.674 10 10 CCCE CC(=O)N1CCO[C@@H](C(=O)NCc2ccccc2O)C1 934936746 XGKZNSNZQWGXJF-CYBMUJFWSA-N 278.308 0.256 10 10 CCCE O=C(O)[C@H]1CS[C@@H](c2ccc(O)c(O)c2O)N1 83419397 AJLXQXJZKFQKFK-ANLVUFKYSA-N 257.267 0.592 10 10 CCCE Cc1ccc([C@@H](N)C(=O)NC[C@H]2CCCO2)c(O)c1 83478201 DFJZUGULFXRNAK-ZWNOBZJWSA-N 264.325 0.996 10 10 CCCE CN(C)C(=O)C1(C(=O)NCCc2ccc(O)c(O)c2)CC1 788305892 FNNMEZQZLMFDPR-UHFFFAOYSA-N 292.335 0.625 10 10 CCCE CCN(CCO)CCNC(=O)Cc1ccc(O)c(O)c1 1138718676 OSKLWRPLNRKSAB-UHFFFAOYSA-N 282.340 0.071 10 10 CCCE CCNS(=O)(=O)CCNCc1ccc(F)c(F)c1O 703417074 HRLWKSALVNWDNU-UHFFFAOYSA-N 294.323 0.699 10 10 CCCE COC[C@H]1CN(c2ccc3c(c2)NC(=O)[C@@H]3N)CCO1 705790100 YNQGEEVGUWYBKW-ZWNOBZJWSA-N 277.324 0.490 10 10 CCCE C[C@@H]1CC(=O)NCCN1c1cc2c(cc1N)OCCO2 707251336 RNPJKAJBFSWGSY-SECBINFHSA-N 277.324 0.755 10 10 CCCE Cn1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)nn1 794607071 VYBJMNMJIBFWJS-HWKANZROSA-N 260.253 0.878 10 10 CCCE [N-]=[N+]=NCCCN[C@@]1(C(N)=O)CO[C@@H](C2CC2)C1 691352473 CWYPXPYCSHCGCD-MWLCHTKSSA-N 253.306 0.699 10 10 CCCE C[C@@H](C(=O)O)N1CCN(Cc2ccc(O)c(O)c2)CC1 86754138 FWQCJGUXVZSDOL-JTQLQIEISA-N 280.324 0.689 10 10 CCCE NCc1cc(F)c(N2CCN3C(=O)NC[C@H]3C2)c(F)c1 91754425 ZCWNKGYSRODBQV-VIFPVBQESA-N 282.294 0.637 10 10 CCCE Cc1cc(N2C[C@@H]3[C@H](CO)CO[C@H]3C2)ccc1CN 2121595503 WRAXLOMEBWCSGQ-YUELXQCFSA-N 262.353 0.897 10 10 CCCE CN[C@@H]1CCc2cc(N3C[C@H](O)[C@@H](CO)C3)ccc21 2128312164 FAEJVRQLIBKOCB-DFBGVHRSSA-N 262.353 0.683 10 10 CCCE NC[C@@H]1C[C@H](O)CN1c1ccc2c(c1)OCCCO2 2131036243 VCJCJKFUPSXMHF-RYUDHWBXSA-N 264.325 0.746 10 10 CCCE CC[C@H]1COC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2132350709 PSYWXDVOAWKTIG-CBAPKCEASA-N 267.281 0.958 10 10 CCCE NC[C@H]1CSCCN1C(=O)c1cc(O)c(O)c(O)c1 2132412591 FQEARPGEPRHHSG-QMMMGPOBSA-N 284.337 0.320 10 10 CCCE CCCN(C(=O)c1cc(O)c(O)c(O)c1)C1CNC1 2132414234 VHARJTOYZPBHQX-UHFFFAOYSA-N 266.297 0.627 10 10 CCCE C[C@H](N)[C@H](NC(=O)c1cc(O)c(O)c(O)c1)C1CC1 2132408249 VKMSHBXLJZRJGK-KGFZYKRKSA-N 266.297 0.659 10 10 CCCE [N-]=[N+]=NCCCN[C@]1(C(N)=O)C[C@@H]2[C@H]3CC[C@@H](O3)[C@H]21 2132136576 WHGIZCCXIKLRNP-APWOSFEXSA-N 265.317 0.698 10 10 CCCE [N-]=[N+]=NC[C@H]1CCN(C(=O)[C@H]2CCC(=O)NC2)C1 1912158079 VAKIOLRIHZFHQQ-BDAKNGLRSA-N 251.290 0.671 10 10 CCCE CN1C(=O)CC[C@H]1C(=O)NCc1c(O)cccc1O 1635847220 KJJFATPRUDTGAI-VIFPVBQESA-N 264.281 0.335 10 10 CCCE O=C(/C=C/Cn1cncn1)NCc1ccccc1O 1566374096 TZNXVANYPAFQLX-ZZXKWVIFSA-N 258.281 0.856 10 10 CCCE C[S@@](=O)CCCNC(=O)[C@H]1CNc2ccccc2N1 229885070 BKESQKMBZYKIEI-CWTRNNRKSA-N 281.381 0.777 10 10 CCCE O=C(CCN1CCOC1=O)NCc1c(O)cccc1O 1652623375 WKDXIJDLNMHRKV-UHFFFAOYSA-N 280.280 0.556 10 10 CCCE COCC[C@](C)(O)CNC(=O)Cc1ccc(N)cc1 230195570 JGIVJMGIMVFNIA-AWEZNQCLSA-N 266.341 0.715 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1[C@H]2CN[C@H]1C2 2138327886 WBTIBPMUNCXBGG-MXWKQRLJSA-N 262.309 0.364 10 10 CCCE Cc1ccc(CN2CCO[C@@H]3[C@@H](C(=O)O)[C@H]32)c(O)c1 2139771014 RRLGKTZOPIRRPU-YNEHKIRRSA-N 263.293 0.984 10 10 CCCE COCCNCc1ccc(N2CCO[C@H](CO)C2)cc1C 167300161 NRLWMVJIOUHJJN-INIZCTEOSA-N 294.395 0.929 10 10 CCCE CNC[C@H]1C(=O)N[C@@H](C)CN1c1ccc(OC)cc1 251654624 KGFXYYLBIJIVEU-GWCFXTLKSA-N 263.341 0.608 10 10 CCCE CNC[C@@H]1CN(Cc2cccc(OC)c2O)CCO1 125309164 FTCVRRSSJNBZST-GFCCVEGCSA-N 266.341 0.821 10 10 CCCE O=C(CNCc1cc(Cl)ccc1O)N1CCCNCC1 1857868280 ACGGILALDWEXPL-UHFFFAOYSA-N 297.786 0.957 10 10 CCCE C[C@@H](N[C@@H]1CCC(=O)NC1=O)c1c(O)cccc1O 235212452 BRZDDDLLYSITAU-HTQZYQBOSA-N 264.281 0.554 10 10 CCCE Nc1ccc(N2CC[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 1946061078 BKADDJRVZLWVRT-SKDRFNHKSA-N 252.339 0.892 10 10 CCCE Nc1ccc(-n2ccc(C(=O)N[C@@H]3C[C@H]3N)n2)cc1 1876519024 ITDSRPQBTSFDTC-ZYHUDNBSSA-N 257.297 0.284 10 10 CCCE COc1ccc(O)c(CN(C)[C@H]2COC[C@H]2C(=O)O)c1 250010574 VETJGRXWAXIMAE-NEPJUHHUSA-N 281.308 0.932 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NC1CCNCC1 1968732017 YNLGXENSAADNQX-UHFFFAOYSA-N 250.298 0.509 10 10 CCCE Nc1ccc(CC(=O)NC[C@@H]2CCCNC2=O)cc1 1969116611 RHRSBCYIBDFGMZ-NSHDSACASA-N 261.325 0.454 10 10 CCCE Cc1cc(N2CCC(OCC(N)=O)CC2)ccc1CO 2145384587 DTWAUGPBDAKTST-UHFFFAOYSA-N 278.352 0.958 10 10 CCCE NCc1ccc(N2CCC[C@H](OCC(N)=O)C2)cc1F 2145380472 AJMAKBXQRVHQQY-LBPRGKRZSA-N 281.331 0.755 10 10 CCCE CN1C[C@@H](CN)C[C@@H]1c1ccc(S(C)(=O)=O)cc1O 258445625 FMMIRMDSIXUXDY-BXKDBHETSA-N 284.381 0.747 10 10 CCCE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2NCc1ccccc1O 2006191502 YIMYMGZALHEYII-IAZYJMLFSA-N 253.323 0.525 10 10 CCCE NC(=O)[C@H]1CCCN(CC(=O)c2ccc(O)c(O)c2)C1 35048098 IPNIBEQFMQWGLL-JTQLQIEISA-N 278.308 0.478 10 10 CCCE CC1(C)COC[C@H](Cn2ccc3c(c2=O)CNCC3)O1 2150794960 FLWPCQMULYRBEN-LBPRGKRZSA-N 278.352 0.688 10 10 CCCE O=C(CN1CC(F)(F)C[C@@H]1CO)c1ccc(O)c(O)c1 2159040325 KSEJBYWADLCRCV-SECBINFHSA-N 287.262 0.982 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC2(CC[C@@H]1CO)CC2 2154166646 GRSNTHPXUBJDMS-SNVBAGLBSA-N 278.308 0.870 10 10 CCCE COC[C@H](C)NC(=O)CN(C)Cc1ccc(N)cc1 49291259 RUYPAZHPNWYRCE-NSHDSACASA-N 265.357 0.852 10 10 CCCE C[C@@H](NC(=O)Oc1ccc(N)cc1)S(C)(=O)=O 2024083928 IPXJVWUKNJLSMU-ZETCQYMHSA-N 258.299 0.748 10 10 CCCE C[C@H]1CNC[C@H]1CS(=O)(=O)Nc1ccc(O)cc1 2027189193 XJKBBSPJFUDPTQ-UWVGGRQHSA-N 270.354 0.989 10 10 CCCE CN[C@@H](C)[C@@H](C)NC(=O)Cc1ccc(O)c(O)c1 2027481334 MUVYNILJYHMOIF-DTWKUNHWSA-N 252.314 0.753 10 10 CCCE CN1CC[C@@H]([C@@H](O)Cc2ccc(N)cc2)S1(=O)=O 2029063783 UXFREPPACQKDOC-RYUDHWBXSA-N 270.354 0.206 10 10 CCCE C[C@@H]1CN(C)C[C@@H]([C@H](NN)c2ccccc2O)O1 2029551525 WELIIWLMNVKZEQ-JIMOISOXSA-N 251.330 0.616 10 10 CCCE Nc1ccc(O)c(CN2C[C@@H]3OCCO[C@@H]3C2)c1 2032411185 FPYILWHPWFJGEQ-BETUJISGSA-N 250.298 0.574 10 10 CCCE CCN[C@H](C)c1ccc(N2C[C@@H](O)[C@H](O)C2)cc1O 300140319 PQRUBGMOQOTQQK-OWYVNGRQSA-N 266.341 0.605 10 10 CCCE CNCc1cc(F)c(N2C[C@H](O)[C@@H]3COC[C@@H]32)c(F)c1 2158391809 GXKYDYHPSCMUQU-ICCXJUOJSA-N 284.306 0.880 10 10 CCCE C[S@@](N)(=O)=N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 404519954 MFRXRYGQBAXOJE-VIIUKITBSA-N 274.298 0.065 10 10 CCCE Nc1ccc(NC(=O)CCN2CC[C@@](O)(CO)C2)cc1 313669894 UWTWQWPKLQECLB-AWEZNQCLSA-N 279.340 0.027 10 10 CCCE NC1CCN(C(=O)NCCc2ccc(O)c(O)c2)CC1 2160730384 GWJVBDQGJDBKIK-UHFFFAOYSA-N 279.340 0.773 10 10 CCCE CCOc1cccc(CN2CC[C@H](CO)[C@@H](N)C2)c1O 2178866444 FFKLXAJXNZDSOI-OLZOCXBDSA-N 280.368 0.932 10 10 CCCE CCNCc1ccc(N2CCN(C)[C@@H](CO)C2)cc1 687612273 LOYBGZPBTWIMFO-OAHLLOKOSA-N 263.385 0.909 10 10 CCCE C[C@@H]1CN(c2ccc3c(c2)NC(=O)[C@H]3N)C[C@H]1CO 709198501 UBFDQKSNPNDDDJ-ZDMBXUJBSA-N 261.325 0.703 10 10 CCCE Nc1ccc(OCCNC(=O)[C@]23COC[C@H]2C3)cc1 689181592 OBJJMOMIFLQDMT-QMTHXVAHSA-N 262.309 0.800 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC[C@H]2CNC[C@H]2C1 388860738 AVKHOFUOXADRGK-WPRPVWTQSA-N 263.297 0.174 10 10 CCCE COCC(COC)S(=O)(=O)N1CCC[C@H]1CN=[N+]=[N-] 692824883 ACHUUKFOFQGAGB-VIFPVBQESA-N 292.361 0.752 10 10 CCCE CCN(CCOCCN)C(=O)c1ccc(O)c(O)c1 381659278 MLJOAPXXWXOAOQ-UHFFFAOYSA-N 268.313 0.535 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1C[C@H]2CCNC[C@H]2C1 382264485 OCZCKRCDCPSHRL-MNOVXSKESA-N 262.309 0.779 10 10 CCCE NC(=O)CC1CC(NC(=O)CCc2ccc(N)cc2)C1 718420723 IYZBOXIQPRAZKV-UHFFFAOYSA-N 275.352 0.972 10 10 CCCE C[C@@H](O)[C@@H](C)NS(=O)(=O)Cc1ccc(N)cc1 386991352 FTAQSDICZQEZHL-RKDXNWHRSA-N 258.343 0.458 10 10 CCCE O=C(CNCc1ccc(O)cc1O)N1CCOCC1 387348457 KVUJIXVOQKMPCP-UHFFFAOYSA-N 266.297 0.046 10 10 CCCE C[C@H]1C[C@H](C(=O)O)CN(C(=O)c2cc(O)nc(O)c2)C1 398833894 MIVHWCDLVNOJEB-CBAPKCEASA-N 280.280 0.676 10 10 CCCE CN1CCN(C(=O)CCN2CC[C@H](CN=[N+]=[N-])C2)CC1 2173768525 UOMNWNJAPROMMU-GFCCVEGCSA-N 280.376 0.783 10 10 CCCE Nc1ccc(CC(=O)N2C[C@@H]3C[C@H](C(=O)O)[C@@H]3C2)cc1 2174315789 KOJYNQRXQHYEEZ-WCFLWFBJSA-N 274.320 0.990 10 10 CCCE C[C@H]1CN(C(=O)c2ccc(O)c(O)c2)C[C@H](CCO)O1 2179248593 YEHWFISJNFRKPM-ONGXEEELSA-N 281.308 0.710 10 10 CCCE Nc1ccc(OCc2cn(Cc3ncno3)nn2)cc1 2179340733 IQNWCEZIVMASOX-UHFFFAOYSA-N 272.268 0.871 10 10 CCCE O=C(NCC1CC2(CC[C@@H]2O)C1)c1cc(O)nc(O)c1 2195357440 JLMODBIANVUNBI-CFEOFWIRSA-N 278.308 0.774 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CCO[C@@H]3COC[C@H]32)cc1 2192656856 MCNLWCIGRPXMHD-CHWSQXEVSA-N 298.364 0.198 10 10 CCCE CN(C[C@@H]1[C@@H]2COC[C@@H]21)C(=O)c1cc(O)c(O)c(O)c1 2188911207 AXDAIKZLXGNAPW-ILWJIGKKSA-N 279.292 0.768 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1C[C@@H](CO)OCC12CC2 2183963399 QITDIDLDMFHGRF-JTQLQIEISA-N 279.292 0.464 10 10 CCCE C[C@@H]1C[C@H]1S(=O)(=O)NCCc1ccc(O)c(O)c1 2045260312 LENRLGLALGENOH-PRHODGIISA-N 271.338 0.968 10 10 CCCE CO[C@H](C)[C@@H](N)CC(=O)NCc1ccccc1O 2047129232 RAWDKRJGQHFNSN-KOLCDFICSA-N 252.314 0.761 10 10 CCCE N[C@H]1CCc2cc(N3CCOC[C@H]3[C@H](O)CO)ccc21 2184737800 MBYWPBVYRDSWPT-SOUVJXGZSA-N 278.352 0.191 10 10 CCCE Oc1ccc(CCN[C@H]2C[C@@H]3OCCN[C@@H]3C2)cc1O 2185355721 NZVVOOKTOGIODX-JMSVASOKSA-N 278.352 0.749 10 10 CCCE CO[C@@H]1COC[C@H]1NC(=O)c1ccc(O)c(O)c1 2057136591 BJIBIKUWKYGEOZ-LDYMZIIASA-N 253.254 0.241 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN1CCN1CCCS1(=O)=O 2059052464 BMENALXVEZUYIK-SNVBAGLBSA-N 273.362 0.797 10 10 CCCE CS(=O)(=O)[C@H]1CCN(CCc2ccc(N)cc2)C1 2059356030 IGUXXACLOFWGQN-ZDUSSCGKSA-N 268.382 0.930 10 10 CCCE C[C@H](O)c1cc(F)c(N2CCOC[C@H]2C(N)=O)c(F)c1 2194516149 HXBHKBZGJAOBTQ-CPCISQLKSA-N 286.278 0.709 10 10 CCCE COc1ccc(N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c(N)c1 2191589655 HNFBNJWEWGAONZ-CABZTGNLSA-N 276.340 0.026 10 10 CCCE CN[C@H](C)c1cc(F)c(N2CC(=O)NC(=O)C2)c(F)c1 2194711276 WXFUIBGYWUEHQS-SSDOTTSWSA-N 283.278 0.708 10 10 CCCE NC[C@@H](CO)c1nc(-c2ccc(O)c(O)c2)no1 2067783807 QJBNMTDKBVZYHT-ZETCQYMHSA-N 251.242 0.182 10 10 CCCE COC[C@@H]1CNCCN1c1cc(OC)c(OC)cc1N 2191604089 XMWMATCKLKXAIG-JTQLQIEISA-N 281.356 0.711 10 10 CCCE Nc1ccc(CS(=O)(=O)NC[C@H](N)C2CC2)cc1 2071667211 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CCN(CC(=O)N(C)C)S(=O)(=O)Cc1ccc(N)cc1 36196971 SUHYIKKKYGZHRD-UHFFFAOYSA-N 299.396 0.509 10 10 CCCE Nc1ccc(CCN2C[C@@H](O)[C@@H](O)[C@@H]2CF)cc1 2312001867 FUPIDYDKOLKUBJ-XQQFMLRXSA-N 254.305 0.187 10 10 CCCE Nc1ccc(-n2ccc(C(=O)NCCOCCO)n2)cc1 52924892 NXNBVCZXXDINIW-UHFFFAOYSA-N 290.323 0.193 10 10 CCCE CN(C)CCCNC(=O)c1cc(O)c(O)c(O)c1 114263662 JPLFMEKMNXIMMI-UHFFFAOYSA-N 254.286 0.485 10 10 CCCE NC[C@@H]1C[C@H]2CC[C@@H]1N2S(=O)(=O)Cc1ccc(N)cc1 2357174615 QTGHLFJXYNGGOQ-YUTCNCBUSA-N 295.408 0.910 10 10 CCCE N[C@@H]1CC[C@H](CNC(=O)c2cccc(O)c2O)C1 227564080 ICYPKSUOTRVTRP-DTWKUNHWSA-N 250.298 0.955 10 10 CCCE CN(C)CCN[C@H](CN)c1ccc2c(c1)CCN2C 87912030 NPKNYTRYCRLOHW-CQSZACIVSA-N 262.401 0.830 10 10 CCCE C[C@H]1CCN(C(=O)c2ccc(O)c(O)c2)C[C@@H]1N 235661930 MWPXMVZXXDGYNW-WPRPVWTQSA-N 250.298 0.907 10 10 CCCE CNC(=O)CCN(C)c1c(F)cc(CN)cc1F 234368031 VOFSLABBEBUGSA-UHFFFAOYSA-N 257.284 0.996 10 10 CCCE NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cccc(O)c1O 365768508 HJFGIZSMXDTFRE-AUTRQRHGSA-N 290.319 0.824 10 10 CCCE COc1ccccc1S(=O)(=O)CC(=O)C(C)=O 808033521 LQQBEGOXRKBDGZ-UHFFFAOYSA-N 256.279 0.627 10 10 CCCE C[C@H]1[C@@H](N)CCN1CC(=O)NCc1ccc(N(C)C)cc1 844226868 RKXFCOBWFOFSBO-WFASDCNBSA-N 290.411 0.790 10 10 CCCE CC(C)(C)OC(=O)[C@@]1(c2cc(O)nc(O)c2)C[C@H]1N 1952929098 DSEJOPMGJRMTJM-AMIZOPFISA-N 266.297 0.803 10 10 CCCE CNCc1ccc(N2CCC(CO)(CO)C2)c(F)c1 694669210 ABOIGBTUJZJFFD-UHFFFAOYSA-N 268.332 0.726 10 10 CCCE CC(=O)NCc1nnc([C@H](N)c2ccc(O)cc2O)o1 83585067 DFGZCVMJJAOJBO-LLVKDONJSA-N 278.268 0.165 10 10 CCCE Nc1ccc(O)c(CN2CCC3(C2)OCCO3)c1 396575001 ZTBUBAQIOVDKRZ-UHFFFAOYSA-N 250.298 0.923 10 10 CCCE CN1CCN(C2CN(c3ccc(CN)cc3)C2)CC1 697954242 SCQSJZLRBDSJKQ-UHFFFAOYSA-N 260.385 0.581 10 10 CCCE Nc1ccc(CCC(=O)NCCC(=O)NC2CC2)cc1 92986026 ATISXMXMINVJME-UHFFFAOYSA-N 275.352 0.986 10 10 CCCE C[C@H](N[C@H]1CS(=O)(=O)C[C@@H]1O)c1ccc(F)cc1O 2121364575 PKJCXCZOOGBTCT-JWYUURKGSA-N 289.328 0.340 10 10 CCCE C[C@@H]1C[C@H]1S(=O)(=O)NCc1cc(N)ccc1O 1906171730 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COC[C@H](CF)NC(=O)c1cc(O)c(O)c(O)c1 2068621206 MVDIVXOWZBQSIF-ZETCQYMHSA-N 259.233 0.518 10 10 CCCE COC[C@@H]1CN(c2ccc(CO)c([N+](=O)[O-])c2)CCO1 2188573062 ADCGQZTZCMJVEN-LBPRGKRZSA-N 282.296 0.939 10 10 CCCE C[C@@H]1[C@H](N(C)C)CCN1C(=O)c1cc(O)c(O)c(O)c1 2188868213 NNZZELIOVNAPBE-PSASIEDQSA-N 280.324 0.968 10 10 CCCE CC(=O)N[C@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)C1 2188868235 NSKPGJICEZZAGA-VIFPVBQESA-N 280.280 0.154 10 10 CCCE NC(=O)C1[C@H]2CN(c3ccc(CO)c(Cl)c3)C[C@H]12 2081419462 WAYPHPUHSLDTHS-UWVGGRQHSA-N 266.728 1.000 10 10 CCCE NC[C@H]1C[C@@H](CNC(=O)c2cccc(O)c2O)CO1 2102873957 WBLXNGWGYPFKAO-DTWKUNHWSA-N 266.297 0.191 10 10 CCCE CN(C(=O)c1cc(O)nc(O)c1)[C@H]1CC[C@H](O)CC1 2103851189 AOAPAUCCIGSKQG-MGCOHNPYSA-N 266.297 0.868 10 10 CCCE Nc1ccc(CCN=c2nc(C(=O)O)cc[nH]2)cc1 2105954720 LWQNIOMVLZLTLS-UHFFFAOYSA-N 258.281 0.834 10 10 CCCE C[C@H]1C[C@H](N)CN(C(=O)Cc2ccc(O)c(O)c2)C1 2087730076 UVTYGFQPCNSSDH-ONGXEEELSA-N 264.325 0.836 10 10 CCCE CCOc1cccc(CN[C@H]2COC[C@@H]2CO)c1O 2090324106 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CCCE NCc1cc(F)c(N2C[C@@H](CO)C[C@H](CO)C2)c(F)c1 2236641134 DJDQRLGGPZODFD-QWRGUYRKSA-N 286.322 0.851 10 10 CCCE OC[C@@H]1NC[C@H]2CN(Cc3ccc(O)c(O)c3)C[C@@H]21 2227304038 HIZWAGJJEYYBNP-SRVKXCTJSA-N 264.325 0.110 10 10 CCCE C[C@]1(CC(=O)O)CCN1C(=O)c1cc(O)c(O)c(O)c1 2237831350 USHXEBPWQROJSX-CYBMUJFWSA-N 281.264 0.883 10 10 CCCE [N-]=[N+]=NCCCCNS(=O)(=O)C1CC2(C1)OCCO2 2246020617 XWXHOCZNIWVVNY-UHFFFAOYSA-N 290.345 0.902 10 10 CCCE Cc1cc([C@H](C)O)ccc1N1CC[C@@H]1[C@@H](O)CO 2258345461 ZAKIPWDJMJOHQE-GDLCADMTSA-N 251.326 0.980 10 10 CCCE COc1ccc(N2CC(O)(C(N)=O)C2)c(OC)c1C 2277988601 BMKKTDLZGXDGDC-UHFFFAOYSA-N 266.297 0.049 10 10 CCCE CS(=O)(=O)[C@H]1C[C@H](C(=O)NCc2ccccc2O)C1 2269858238 GPLOVMYKXWNJEI-XYPYZODXSA-N 283.349 0.832 10 10 CCCE O=C(NC12COC(C(=O)O)(C1)C2)c1ccc(O)c(O)c1 2280675402 PXQLIDFDWDWLPK-UHFFFAOYSA-N 279.248 0.214 10 10 CCCE Oc1cc2c(cc1O)CN([C@@H]1COC[C@H]1O)CC2 2318665189 JLACYLUIYCAIBF-ZWNOBZJWSA-N 251.282 0.216 10 10 CCCE CC(=O)C(=O)[C@@H](O)c1cnn(CC(F)(F)F)c1C 2320100234 BBFVFDMQCSDRJQ-VIFPVBQESA-N 264.203 0.945 10 10 CCCE O=C1Nc2cc(N3C[C@@H]4C[C@@H](CO)[C@@H]4C3)ccc2[C@H]1O 2355421575 DWNCOMBZUIAYCY-ONVGCPIPSA-N 274.320 0.737 10 10 CCCE Nc1ccc(CS(=O)(=O)NC[C@@H](O)C2CC2)cc1 71298773 BZGYVUYFVYGWNN-GFCCVEGCSA-N 270.354 0.459 10 10 CCCE CC(=O)C(=O)COC(=O)Cn1c(=O)n(C)c2ccccc21 808494239 XIJWFPWGXKAFDY-UHFFFAOYSA-N 290.275 0.041 10 10 CCCE NC(=S)C1CN(C(=O)NCCc2ccc(O)c(O)c2)C1 2164900537 IXDPXXSRYHCJPM-UHFFFAOYSA-N 295.364 0.568 10 10 CCCE CN1CCCc2cc([C@H](NN)[C@@H]3COCCO3)ccc21 2163149455 JWRKIWGDYYKTNF-GJZGRUSLSA-N 277.368 0.989 10 10 CCCE CCn1ncc(C(=O)NCc2ccc(O)c(O)c2)n1 815835872 IJAFERNEICFBMJ-UHFFFAOYSA-N 262.269 0.639 10 10 CCCE N[C@@H](c1cc(Br)ccc1O)[C@H](O)C(=O)O 713761179 NWBZYYJZUAOUBZ-YUMQZZPRSA-N 276.086 0.600 10 10 CCCE Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCCCN 842152364 HLBFFFRNJWKUSG-UHFFFAOYSA-N 292.383 0.142 10 10 CCCE CN(CCNC(=O)c1cc(O)cs1)CCOCCO 922112409 DPWBVAKWNNGQAV-UHFFFAOYSA-N 288.369 0.124 10 10 CCCE CCn1ncc(CNC(=O)c2cc(O)cs2)n1 862381042 SGDBOJNLIUUIIS-UHFFFAOYSA-N 252.299 0.995 10 10 CCCE CS(=O)(=O)C1(C(=O)N2Cc3cccc(O)c3C2)CC1 871204955 MNNNODWFPLAUFJ-UHFFFAOYSA-N 281.333 0.812 10 10 CCCE COCCOC(=O)CN1CCNc2cc3c(cc21)OCO3 76928867 QPUUCUPQLOFANA-UHFFFAOYSA-N 294.307 0.837 10 10 CCCE CN1CCOC[C@@H]1CNS(=O)(=O)Cc1ccc(N)cc1 700263001 WKWVFAZCSSJHHC-ZDUSSCGKSA-N 299.396 0.019 10 10 CCCE Cc1cc(CO)ccc1N1CCN(C)[C@H](CO)C1 687595573 NSBHFGXEKTVHLJ-ZDUSSCGKSA-N 250.342 0.600 10 10 CCCE CN1CCN(c2ccc(CN)cc2Cl)C[C@H]1CO 687610070 MBJJBDFHEIUTBW-NSHDSACASA-N 269.776 0.911 10 10 CCCE C[C@@H](N[C@@H](CO)CN(C)C)c1ccc(O)cc1O 716706115 XLGDQEBVPGDWPX-NXEZZACHSA-N 254.330 0.671 10 10 CCCE C[C@@H]1C(=O)NC(=O)CN1c1c(F)cc(CN)cc1F 97295613 GIOKQOKJFJQWPE-ZCFIWIBFSA-N 269.251 0.275 10 10 CCCE NC(=O)CN(CCCc1ccc(N)cc1)CC(=O)O 2123065295 OQEXNJGAHTUHCM-UHFFFAOYSA-N 265.313 0.073 10 10 CCCE COc1ccc(N2C[C@H]3C[C@@H](O)[C@H](O)[C@H]2C3)c(N)c1 2116703828 YEUMGNJYTSSYEO-HKSFMPNISA-N 264.325 0.598 10 10 CCCE C[C@H](CN(CC(N)=O)Cc1ccc(N)cc1)N(C)C 2121118910 XNYVDQLRYDBBMG-LLVKDONJSA-N 264.373 0.506 10 10 CCCE CN(Cc1nnnn1C)c1ccc2c(c1)CC[C@H]2O 2128321103 IQZFBCMEIARBAQ-GFCCVEGCSA-N 259.313 0.826 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCN(S(=O)(=O)c2cn[nH]c2)C1 1912171902 PXMVUISHJCNMOG-ZETCQYMHSA-N 256.291 0.731 10 10 CCCE COc1ccc([C@H](O)[C@@H](N)c2ccccc2O)nn1 1913547713 DDEIYVIZTYXLEA-STQMWFEESA-N 261.281 0.924 10 10 CCCE Nc1ccc(CCN2C(=O)[C@H]3C[C@H]2CS3(=O)=O)cc1 218835476 WRCDXDYFDQWQSN-NWDGAFQWSA-N 280.349 0.209 10 10 CCCE CN(C[C@@H](O)COc1ccc(N)cc1)C1(CO)CCC1 1914981580 GNBCDZLZZHBCDO-CYBMUJFWSA-N 280.368 0.855 10 10 CCCE COc1ccc(N2C[C@@H](CO)NC[C@H]2C)c(OC)c1 217179112 BJSPMVAGYLJTBH-MNOVXSKESA-N 266.341 0.863 10 10 CCCE Cc1ccc(C(=O)N[C@H](CO)[C@@H]2CCOC2)c(O)c1O 1633016858 YDOFKSAUJDOSQB-MWLCHTKSSA-N 281.308 0.533 10 10 CCCE COCCNC(=O)[C@H](C)N[C@H](C)c1ccc(O)cc1O 228988923 FNNCRWOUGSJIPF-ZJUUUORDSA-N 282.340 0.900 10 10 CCCE COC(=O)c1cc(C(=O)NCc2c(O)cccc2O)on1 1645363078 LXARNEQAZQSKFQ-UHFFFAOYSA-N 292.247 0.802 10 10 CCCE CNCc1ccc(N2C[C@@H](O)C[C@H]2CO)cc1OC 2139683851 BOTKTAHNDJQQOP-STQMWFEESA-N 266.341 0.347 10 10 CCCE Cc1ccc(CN2CCC(N)(C(N)=O)CC2)c(O)c1 2139765063 HELGEINHVVRQDJ-UHFFFAOYSA-N 263.341 0.479 10 10 CCCE Cc1cccc(CNC(=O)c2c(N)cnn2C)c1O 2139750667 KMFKQFAWLWGEGS-UHFFFAOYSA-N 260.297 0.946 10 10 CCCE CNCc1ccc(N2C[C@@H](O)[C@@H](CO)C2)cc1OC 2139705288 XMHSYLWXALGNOT-DGCLKSJQSA-N 266.341 0.204 10 10 CCCE Cc1cccc(CNC(=O)CCn2cnnn2)c1O 2139750414 HQOJRZKOORQOIQ-UHFFFAOYSA-N 261.285 0.394 10 10 CCCE O=C(c1ccc(O)c(O)c1)N(CCO)C[C@@H]1CCCN1 236498043 VIDLZNHWAPIZAU-NSHDSACASA-N 280.324 0.284 10 10 CCCE Nc1ccc(NC(=O)NCC[C@@H]2COC[C@H]2O)cc1 1876165300 MCTRBICNKOCOSE-BXKDBHETSA-N 265.313 0.788 10 10 CCCE COC[C@@]1(NC(=O)Cc2ccc(N)cc2)CCNC1 1876434627 SZUDAWJBYMKVMQ-CQSZACIVSA-N 263.341 0.306 10 10 CCCE Nc1ccc(CC(=O)N2C[C@H]3CCNC[C@H]3C2)cc1 1876420221 CLTSFTFDZQSUOK-OLZOCXBDSA-N 259.353 0.879 10 10 CCCE NCC[C@H]1CN(C(=O)Cc2ccc(N)cc2)CCO1 1876480418 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COC[C@@H](N)C(=O)N(C)Cc1ccc(N(C)C)cc1 167844376 AKZMAURHDPXDHQ-CYBMUJFWSA-N 265.357 0.685 10 10 CCCE CC1(O)CCN(c2cc3c(cc2N)OCC(=O)N3)CC1 160412677 MGTPMPSBDWEQKZ-UHFFFAOYSA-N 277.324 0.951 10 10 CCCE C[C@H](C(=O)Nc1ccc(N)cc1)N(C)CC(=O)N(C)C 37269898 XYPVXLIVQLTJQQ-SNVBAGLBSA-N 278.356 0.616 10 10 CCCE CO[C@H]1C[C@H]2C(=O)N(c3ccc(N)cc3)C(=O)N2C1 37515099 CUFOBNFVLNEEPQ-QWRGUYRKSA-N 261.281 0.825 10 10 CCCE CN1CC[C@H](CNS(=O)(=O)Cc2ccc(N)cc2)C1 37645636 FVSPVLMDDUDFHP-GFCCVEGCSA-N 283.397 0.640 10 10 CCCE O=C(O)c1cc(CNC(=O)c2cccc(O)c2O)[nH]n1 2158218948 XRTTVHGKCMDSQF-UHFFFAOYSA-N 277.236 0.449 10 10 CCCE NC(=O)C1(NS(=O)(=O)Cc2ccc(N)cc2)CCCC1 2154482422 VTMDUQJWXHARGI-UHFFFAOYSA-N 297.380 0.486 10 10 CCCE C[C@@H](NC[C@@H]1CCS1(=O)=O)c1ccc(O)cc1O 2033299471 GJLQBKRXUJPVOC-SCZZXKLOSA-N 271.338 0.936 10 10 CCCE O=S1(=O)C[C@H]2CCN(c3ccc(CO)cc3)[C@@H]2C1 2033882355 XGHLKYUVQMOFFP-DGCLKSJQSA-N 267.350 0.802 10 10 CCCE Nc1ccc(CCC(=O)NC[C@@H]2CCNC(=O)C2)cc1 2161577794 GSBLALIQXSDTOG-GFCCVEGCSA-N 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N[C@H]1C[C@H](CC(=O)C(=O)[C@@]23CCC[C@@H]2NCC3)C1 2049786754 PMTARZPLSPSDMN-JYYRZZBQSA-N 250.342 0.784 10 10 CCCE CS(=O)(=O)N[C@@H]1CCN(c2ccc3c(c2)CC[C@H]3N)C1 2184726557 PVIKKKIOUDYLDL-BXUZGUMPSA-N 295.408 0.761 10 10 CCCE OC[C@@]12CC[C@@](NCc3ccc(O)c(O)c3O)(CO1)C2 2190202563 QRGCJVSNAGPMAE-KBPBESRZSA-N 281.308 0.577 10 10 CCCE C[C@@H](NC(=O)[C@@H]1C[C@@H](O)CN1)c1ccccc1O 2072484154 NJGKBXROJLJNCU-KKZNHRDASA-N 250.298 0.292 10 10 CCCE COC(=O)C1(N)CC(COc2ccc(N)cc2)C1 2078212451 XKHCCKRIJRJXRG-UHFFFAOYSA-N 250.298 0.928 10 10 CCCE OCc1cc(F)c(N2CC[C@H]3C[C@H]2[C@H](O)[C@@H]3O)c(F)c1 2199531320 JKABCRSPOCPBJR-DVXMNORISA-N 285.290 0.778 10 10 CCCE CCN1CCN(C(=O)c2ccc(O)c(O)c2)CC1=O 2102554290 SYWVKIRHXWHCGV-UHFFFAOYSA-N 264.281 0.402 10 10 CCCE CS[C@@H]1COC[C@@H]1Nc1c(N)cccc1C(N)=O 2086356522 ZEOPBCIJIWILPD-VHSXEESVSA-N 267.354 0.910 10 10 CCCE NN[C@@H](c1ccccc1O)[C@@H]1CCn2ncnc2C1 2108977680 BFYWVKPLMHLGFW-NOZJJQNGSA-N 259.313 0.751 10 10 CCCE Nc1ccc(CCCN2CC[C@@H](O)[C@@H](CO)C2)cc1 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CO[C@H]1CC(=O)CN(C(=O)c2ccc(O)c(O)c2)C1 2344709383 DRMHHGOJFIKXEQ-JTQLQIEISA-N 265.265 0.528 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H]1C[C@H](CF)C1 2354607164 XKVIROYJNAXWNP-DCAQKATOSA-N 282.315 0.832 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N3C[C@@H](F)[C@H](CO)C3)cc21 2355617057 XIVZZQGEXPZIJO-KDDOJWQBSA-N 279.315 0.429 10 10 CCCE CN(C)Cc1cc([C@@H]2CNC(=O)[C@H]2C(=O)O)ccc1O 1952139804 JTQVRGYAVKMULN-JQWIXIFHSA-N 278.308 0.368 10 10 CCCE C[C@@H](NCc1cccc(O)c1O)C(=O)NC1CC1 228958460 QEICKYLOSNPDQD-MRVPVSSYSA-N 250.298 0.855 10 10 CCCE COC(=O)CS(=O)(=O)Nc1ccc(O)cc1C 80358069 ROJCVAWDBJHFJA-UHFFFAOYSA-N 259.283 0.615 10 10 CCCE CN(Cc1ccc(O)cc1O)[C@@H]1COC[C@H]1C(=O)O 250227063 KOZSQMJPQDGZHV-GHMZBOCLSA-N 267.281 0.629 10 10 CCCE CN[C@@H](c1ccccc1O)[C@@H](O)C1(S(C)(=O)=O)CCC1 2166714334 NEPVKFOYMZQMDI-QWHCGFSZSA-N 299.392 0.981 10 10 CCCE NC(=O)c1cccc(N)c1N[C@@H]1CCn2ncnc2C1 2165432527 OWNFGLHOLLDFNW-MRVPVSSYSA-N 272.312 0.386 10 10 CCCE O=C(NCC[C@@]1(O)CCOC1)NCc1c(O)cccc1F 923071420 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[N-]=[N+]=NCCN[C@@H](C(N)=O)c1cnn(C(F)(F)F)c1 2118512314 PBOZWVHTZFIITI-ZCFIWIBFSA-N 277.210 0.786 10 10 CCCE Nc1cc2c(cc1N1C[C@@H](F)[C@H](CO)C1)OCCO2 2120624130 CPOHJFRIUMBFLZ-DTWKUNHWSA-N 268.288 0.807 10 10 CCCE CS(=O)(=O)NC1CN(c2ccc3c(c2)CC[C@H]3O)C1 2128318283 KUIOUQIOEOQDNE-CYBMUJFWSA-N 282.365 0.404 10 10 CCCE N[C@H]1CC(C(=O)N2CCCc3ccccc32)=C[C@@H]1O 2131467456 ZCNXJEYBPPOFJN-JSGCOSHPSA-N 258.321 0.984 10 10 CCCE CCN(C(=O)c1cc(O)c(O)c(O)c1)[C@H]1CCNC1 2132414720 ZPERYAJVLYESHF-VIFPVBQESA-N 266.297 0.627 10 10 CCCE Cc1nc(CNC(=O)Cc2ccc(N)cc2)nn1C 2134180940 KUJYVGKZCLQWBT-UHFFFAOYSA-N 259.313 0.565 10 10 CCCE C[C@](NCCN=[N+]=[N-])(C(N)=O)[C@@H]1C[C@@H]2CCO[C@@H]12 1912197889 ZWQPUGLCXKYFGF-YSSBGUOXSA-N 253.306 0.555 10 10 CCCE CC(=O)C(=O)[C@H](O)c1sc(N2CCOCC2)nc1C 1919055812 WQMCINZYDMHDRG-JTQLQIEISA-N 284.337 0.480 10 10 CCCE C[C@@H](O)[C@@H]1CCN(C(=O)c2ccc(O)c(O)c2)C1 227688767 AXQWBKCXWLZUAD-PSASIEDQSA-N 251.282 0.941 10 10 CCCE CNC(=O)OC1CN(c2ccc(CO)c(OC)c2)C1 2139703216 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CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CC(N=[N+]=[N-])C1 1882297855 JJWYYYUCVJIKOY-MRVPVSSYSA-N 285.304 0.393 10 10 CCCE CN(C(=O)Cc1ccc(N)cc1)[C@]1(CN)CCOC1 1964448376 UGBWLUZWYJUELU-AWEZNQCLSA-N 263.341 0.388 10 10 CCCE CN(CCN(C)S(C)(=O)=O)Cc1cc(F)ccc1O 1971683138 QIXPUOYTDASYOT-UHFFFAOYSA-N 290.360 0.855 10 10 CCCE Nc1ccc(CN2C[C@H]3C[C@H](O)[C@@H](O)C[C@H]3C2)cc1 1972037761 DFMBDUKLHYFKLJ-NEBZKDRISA-N 262.353 0.832 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC[C@H]([C@@H]2CCCN2)C1 2145255485 PJPMYKPUKWDPRZ-ONGXEEELSA-N 277.324 0.707 10 10 CCCE CC[C@@H](O)c1ccc(N2CCOC[C@H]2[C@H](O)CO)cc1 2146322489 BMLVCFBLGVNSQM-RRFJBIMHSA-N 281.352 0.688 10 10 CCCE C[C@@H](c1ccccc1O)N(C)C(=O)CN1CCNCC1 37826601 SCPPFFUMGGMZLT-LBPRGKRZSA-N 277.368 0.817 10 10 CCCE CCNCc1ccc(N2CC(=O)NC(=O)C2)c(Cl)c1 164079961 IRDUXOXYBQILSD-UHFFFAOYSA-N 281.743 0.912 10 10 CCCE CN(C)[C@@H]1CN(c2ccc(CN)c(F)c2)C[C@H]1O 2029431360 BHQGLDDKBXJWLP-CHWSQXEVSA-N 253.321 0.396 10 10 CCCE OC[C@H]1COC[C@H]1NCc1cc(F)cc(F)c1O 2029845818 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CC[C@@H]1C[C@]1(NC(=O)c1cc(O)nc(O)c1)C(=O)O 2141315383 MSVWEQJVHVVPIF-JMCQJSRRSA-N 266.253 0.476 10 10 CCCE C[C@@H]1C[C@@H](C(=O)O)CCN1C(=O)c1cc(O)nc(O)c1 235323202 OEZBIACAJYAZPO-SFYZADRCSA-N 280.280 0.818 10 10 CCCE CN([C@H]1[C@@H]2CNC[C@@H]21)S(=O)(=O)Cc1ccc(N)cc1 1876153221 PZNUEFMUWYWTQK-ITGUQSILSA-N 281.381 0.248 10 10 CCCE Nc1ccc(OCC(=O)N2CC[C@]3(CCN3)C2)cc1 1876445258 ZLRCSPIIMKPPIJ-CQSZACIVSA-N 261.325 0.612 10 10 CCCE Nc1ccc(OCC(=O)N2C[C@H]3CNC[C@@H]3C2)cc1 1876451325 MUKUJGZWJUNSHM-GHMZBOCLSA-N 261.325 0.325 10 10 CCCE Nc1ccc(CS(=O)(=O)NC[C@H](N)C(F)(F)F)cc1 1876460538 BXLMNSYSJGRGCH-VIFPVBQESA-N 297.302 0.578 10 10 CCCE CN(C)CCCONC(=O)COc1ccc(N)cc1 1876447099 QJHDUSDHGSEPQS-UHFFFAOYSA-N 267.329 0.647 10 10 CCCE COC(=O)C1CN(c2cc(OC)c(OC)cc2N)C1 1876671158 RUBOACLFGCNJKM-UHFFFAOYSA-N 266.297 0.895 10 10 CCCE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(N=[N+]=[N-])C1 1885562067 ADRLAHRPVFYDLM-CBAPKCEASA-N 299.331 0.782 10 10 CCCE C[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CCN1 1969423879 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CCN(c1ccc2c(c1)NC(=O)[C@H]2N)[C@@H]1CCNC1=O 2171232286 FRSUNSBBBRKYQJ-NEPJUHHUSA-N 274.324 0.353 10 10 CCCE CCCN(CC(=N)NO)C(=O)c1cc(O)c(O)c(O)c1 2188917377 WMGKTHDZQJATEI-UHFFFAOYSA-N 283.284 0.612 10 10 CCCE CC[C@H](N)c1ccc(N2CC3(C2)OC[C@H](O)[C@H]3O)cc1 2183627179 OMCQBKGKOAZWIK-MELADBBJSA-N 278.352 0.407 10 10 CCCE O=C(c1cccc(O)c1O)N1[C@H]2CC[C@H]1[C@H](O)[C@H](O)C2 2190193287 URBWAEQFWKNZCW-ALLMZLOKSA-N 279.292 0.197 10 10 CCCE Cc1cccc(O)c1CNCCN1CCS(=O)(=O)CC1 2184626270 YKJMSBTWDKFVHT-UHFFFAOYSA-N 298.408 0.521 10 10 CCCE CC1(C)C[C@H]([C@H](NCCN=[N+]=[N-])C(N)=O)CCO1 2043469717 FHENTFKQNFRJIT-BDAKNGLRSA-N 255.322 0.945 10 10 CCCE Nc1ccc(OCCC(=O)N2C[C@@H]3CNC[C@H]3C2)cc1 2191676507 STOFWULHNKGRPA-RYUDHWBXSA-N 275.352 0.716 10 10 CCCE CN(CC1(N)CC1)S(=O)(=O)CCOc1ccc(N)cc1 2191629995 UXIJOPSHWODEQO-UHFFFAOYSA-N 299.396 0.401 10 10 CCCE Nc1ccc(OCC(=O)N2C[C@H]3CC[C@@](N)(C3)C2)cc1 2191655737 HECZPXDNFJZPME-XHDPSFHLSA-N 275.352 0.987 10 10 CCCE C[C@@H]1[C@H]2CNC[C@H]2CN1C(=O)COc1ccc(N)cc1 2191714803 RUNVEKUOIYUMNQ-UHIISALHSA-N 275.352 0.714 10 10 CCCE CC1(C)OCCO[C@H]1C(=O)NCc1cc(N)ccc1O 2186782607 HQTXIFHYTJZVMO-LBPRGKRZSA-N 280.324 0.785 10 10 CCCE COC(=O)[C@](C)(CCS(C)(=O)=O)NCCCN=[N+]=[N-] 2104523781 NIFNMTTVQDKAET-JTQLQIEISA-N 292.361 0.643 10 10 CCCE C[C@H](C(=O)Nc1ccc(N)cc1)N1[C@H]2C[C@H]1CN(C)C2 2187622915 LWDYXGQRFMXFTH-SWHYSGLUSA-N 274.368 0.984 10 10 CCCE COc1nc(NN)nc(N(C)Cc2ccccc2O)n1 2192566949 KYOQRJXJWORCFR-UHFFFAOYSA-N 276.300 0.508 10 10 CCCE CN(C(=O)COc1ccc(N)cc1)C1(CO)CC1 2064887334 NJRQCIKQVPSXKI-UHFFFAOYSA-N 250.298 0.631 10 10 CCCE C[C@@H](O)c1cc(F)c(N2CC(C(N)=O)C2)c(F)c1 2074083004 QGOFDZROQBYLRF-ZCFIWIBFSA-N 256.252 0.940 10 10 CCCE C[C@@H](O)[C@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)CCO1 2188868906 YUVJDSBQSMQUSQ-RDDDGLTNSA-N 283.280 0.025 10 10 CCCE CC[C@H](Nc1c(N)cccc1C(N)=O)C(=O)N(C)C 2100234952 ZEQQPCARKOZNQS-JTQLQIEISA-N 264.329 0.646 10 10 CCCE COC[C@@](O)(CO)CN[C@@H](C)c1c(O)cccc1O 2102398648 FGYAMXARENKUQZ-ZANVPECISA-N 271.313 0.118 10 10 CCCE Cc1cccc(CNC(=O)[C@@H](N)C(C)(C)O)c1O 2084061781 YZHNUSRJHVEGRS-LLVKDONJSA-N 252.314 0.415 10 10 CCCE O=C(O)[C@@H]1CO[C@@H]2CN(Cc3ccccc3O)C[C@@H]21 2104558865 WOGPDLMSAUUWQH-NQBHXWOUSA-N 263.293 0.924 10 10 CCCE CN1CCc2cc([C@](C)(N)C3CS(=O)(=O)C3)ccc21 2106792043 YYNFJTYYVMMBCZ-AWEZNQCLSA-N 280.393 0.897 10 10 CCCE N[C@]1(CO)CCCN(C(=O)c2ccc(O)c(O)c2)C1 2087257175 MEYKGDPPTPNMNH-CYBMUJFWSA-N 266.297 0.024 10 10 CCCE Cn1ncc(C=O)c1S(=O)(=O)Nc1ccc(O)cc1 2087717133 UTMADZGPCRUURA-UHFFFAOYSA-N 281.293 0.739 10 10 CCCE O=C(CN1CC[C@@H](O)[C@H](F)C1)c1ccc(O)c(O)c1 2088308698 MXLMPEGZZSVUMT-NXEZZACHSA-N 269.272 0.685 10 10 CCCE CC(C)(C)n1nnc([C@H](NN)c2ccccc2O)n1 2090043094 RIRVPMQDFAVDCO-SNVBAGLBSA-N 262.317 0.686 10 10 CCCE O=C(NC[C@]1(O)CCCOC1)c1ccc(O)c(O)c1 2111795597 NWAKTYMFKJKUKX-CYBMUJFWSA-N 267.281 0.369 10 10 CCCE C[C@H]1C[C@H](CN)CCN1C(=O)c1cc(O)nc(O)c1 2091830231 LMNQWIDWJCZBHJ-DTWKUNHWSA-N 265.313 0.692 10 10 CCCE NCC[C@H]1CC[C@@H](NC(=O)c2cc(O)nc(O)c2)C1 2098510503 NQOJIZBFIVBQGP-PSASIEDQSA-N 265.313 0.740 10 10 CCCE CCNCc1cnc(Sc2nc(=O)c(=O)[nH]n2C)s1 2099104723 ZDMARMOUSDSZAC-UHFFFAOYSA-N 299.381 0.186 10 10 CCCE C[C@@H](N)c1cc(F)c(N2C[C@H](O)[C@H](O)[C@@H]2CF)c(F)c1 2205611625 MHBHCGHDUBLHIW-SKIJTGGZSA-N 290.285 0.864 10 10 CCCE CCS(=O)(=O)CNC(=O)N1CCC(N=[N+]=[N-])CC1 2218515150 XSWBANXTSVPGON-UHFFFAOYSA-N 275.334 0.863 10 10 CCCE COc1ccc(N2CCO[C@@H](CO)C2)c(CO)c1 2220430468 REKSOPCCPMQLMO-GFCCVEGCSA-N 253.298 0.385 10 10 CCCE NOCCCS(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1 2227908924 YSZZXYJYAOAEEZ-UHFFFAOYSA-N 291.285 0.323 10 10 CCCE O=c1c2c(ccn1C[C@@H]1C[C@@H]3C[C@@H]3CO1)CCNC2 2228428702 HTZDTYPSGZRTSU-XQQFMLRXSA-N 260.337 0.919 10 10 CCCE COc1cc(N2CCC[C@@H]3CNC(=O)[C@H]32)ccc1CO 2279272762 SDXIYLIIQWKXDR-YGRLFVJLSA-N 276.336 0.902 10 10 CCCE Oc1cc(F)ccc1CN1CCOC2(CNC2)C1 2260144690 OXDLBTHCMJMBQB-UHFFFAOYSA-N 252.289 0.706 10 10 CCCE O=C(O)[C@H]1CC[C@H](O)CN1Cc1ccc(O)c(O)c1 2264524034 ICTMTQRTZQBQCZ-VHSXEESVSA-N 267.281 0.508 10 10 CCCE N[C@@H]1CCc2cc(N3CC[C@H](O)[C@H](O)CC3)ccc21 2269122328 VQAROAWHGBHQAC-KFWWJZLASA-N 262.353 0.955 10 10 CCCE CN(C)c1ccc(CNC(=O)[C@@H]2CC[C@@H](O)CN2)cc1 2279240716 NVUHCMJJMTTWER-KGLIPLIRSA-N 277.368 0.482 10 10 CCCE C[C@H](N)c1ccc(N2C[C@@H]3OC[C@H](CO)O[C@H]3C2)cc1 2279884145 JBEATKNJAJOOQW-HJPIBITLSA-N 278.352 0.671 10 10 CCCE Cn1nccc1[C@H](O)c1ccc(N2CCNCC2)cc1 2286070758 DMPMAVKPALFFLQ-OAHLLOKOSA-N 272.352 0.911 10 10 CCCE CC(C)[C@@]1(NC(=O)c2ccc(O)c(O)c2)CCNC1=O 2296510919 XKBGUXUEGOULMF-AWEZNQCLSA-N 278.308 0.742 10 10 CCCE CO[C@H]1C[C@@H]2C[C@H]1C[C@]2(NCCN=[N+]=[N-])C(N)=O 2308684964 RUUQTZPWVPRIIH-FTYOSLGDSA-N 253.306 0.555 10 10 CCCE C[C@@H](O)c1ccc(N2C[C@@H]3NC(=O)O[C@@H]3C2)cc1O 2330745887 XPFYYCLSXSEYGC-INNHCVQGSA-N 264.281 0.743 10 10 CCCE Nc1ccc(CC(=O)NC[C@H]2C[C@@H](N)[C@H](O)C2)cc1 2332128218 FSTIMDZELGOCGS-CYZMBNFOSA-N 263.341 0.026 10 10 CCCE CNCc1ccc(N2CC[C@@H]3C[C@H]2[C@H](O)[C@H]3O)cc1 2332599648 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0.243 10 10 CCCE O=C(O)[C@H]1CCN(C(=O)c2ccc(O)c(O)c2)C1 236437052 HTSDGCAMETYDKE-QMMMGPOBSA-N 251.238 0.645 10 10 CCCE Cc1ncc(S(=O)(=O)Nc2ccc(O)cc2N)[nH]1 235942653 HZLVXVHEQKMZJA-UHFFFAOYSA-N 268.298 0.807 10 10 CCCE Cc1ccc(C(=O)NC[C@@H](O)[C@@H]2CCCO2)c(O)c1O 529764027 GFOQFPRZJXDDPZ-MNOVXSKESA-N 281.308 0.676 10 10 CCCE COc1cc(C)c2c(c1)C(=O)NCCN2CC(=O)O 527431017 PNNJPHNEJBDRHV-UHFFFAOYSA-N 264.281 0.638 10 10 CCCE CN(C)c1ccc(/C=C/C(=O)NC[C@@H](O)CN)cc1 701411015 SJYCEJYVKKWMLS-LJLILKBBSA-N 263.341 0.202 10 10 CCCE [N-]=[N+]=NC[C@H]1CCN(C(=O)[C@@H]2CCn3ncnc3C2)C1 2165278828 YBQOFOZAOCZWBJ-NXEZZACHSA-N 275.316 0.999 10 10 CCCE COc1cccc(COCC(=O)OCC(=O)C(C)=O)c1 808504338 BPPMBJDEDMRGNF-UHFFFAOYSA-N 280.276 0.913 10 10 CCCE N[C@H](c1cc(Br)ccc1O)[C@H](O)CO 713727712 ITOPMQGNHAMJRS-RKDXNWHRSA-N 262.103 0.508 10 10 CCCE NC(=O)N1CCN(Cc2cc(F)cc(F)c2O)CC1 722187829 CPLFVXRXFJBOSP-UHFFFAOYSA-N 271.267 0.867 10 10 CCCE C[C@H](O)c1ccc(N2CC[C@@](C)(O)[C@@H](O)C2)cc1O 1893325483 OFFFMGVPZLAWNI-QCZZGDTMSA-N 267.325 0.768 10 10 CCCE C[C@@H](NCc1cc(F)c(N(C)C)cc1F)C(N)=O 862350061 DMJGLQBHYWPOCE-SSDOTTSWSA-N 257.284 0.994 10 10 CCCE NCCCOCCNC(=O)NCc1ccccc1O 861691831 OZDAISHDQBVILI-UHFFFAOYSA-N 267.329 0.557 10 10 CCCE CO[C@@H]1CN(C(=O)c2cccc(O)c2O)[C@@](C)(CO)C1 870525892 LSYWYCJZEHMYNZ-LKFCYVNXSA-N 281.308 0.710 10 10 CCCE COc1ccc(O)c([C@H](C)NCC(=O)NC(N)=O)c1 775369472 DJMAVMUHTKVWBS-ZETCQYMHSA-N 267.285 0.246 10 10 CCCE Cc1cc(O)ccc1NS(=O)(=O)CCS(C)(=O)=O 80357988 SBKKEGNHLMIMEZ-UHFFFAOYSA-N 293.366 0.487 10 10 CCCE OCC(CO)NCc1ccc(Br)cc1O 701015465 PFNLCNIPDNUZEA-UHFFFAOYSA-N 276.130 0.598 10 10 CCCE COCCCONC(=O)Cc1ccc(O)c(O)c1 1140172113 FANQFZWICZBJBH-UHFFFAOYSA-N 255.270 0.725 10 10 CCCE O=C(O)[C@H]1CC(F)(F)CN1C(=O)c1cc(O)nc(O)c1 713529638 UIDCZJYWUPSLQY-ZCFIWIBFSA-N 288.206 0.427 10 10 CCCE CN(C[C@H](N)C1CC1)C(=O)c1cccc(O)c1O 690131275 OWSPSUVMYMEUOV-JTQLQIEISA-N 250.298 0.907 10 10 CCCE Nc1ccc(O)c(CNc2ccc3n[nH]c(=O)n3n2)c1 90641277 VXGAYTSZFKAEMA-UHFFFAOYSA-N 272.268 0.318 10 10 CCCE C[C@H](O)c1ccc(N2CC3(CNC(=O)C3)C2)cc1O 2119574426 IVFADERHFBWBAO-VIFPVBQESA-N 262.309 0.772 10 10 CCCE NC(=O)C1(O)CN(c2ccc3c(c2)CCC[C@H]3O)C1 2128269486 SPOKHVASZYRGEQ-GFCCVEGCSA-N 262.309 0.093 10 10 CCCE C[C@]1(CN)CCN(C(=O)c2cc(O)c(O)c(O)c2)C1 2132413259 LGVVRUNEQCNDBV-CYBMUJFWSA-N 266.297 0.614 10 10 CCCE COCC1(CNC(=O)c2cc(O)c(O)c(O)c2)CC1 2132351388 WYTWLEGXSJTCFA-UHFFFAOYSA-N 267.281 0.960 10 10 CCCE CS(=O)(=O)CCOC[C@@H](O)COc1ccc(N)cc1 2133382525 WOQDRDPFYOENCH-LLVKDONJSA-N 289.353 0.070 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3CC[C@](F)(CO)C3)ccc21 1917064146 BOOBCWVWGSKGEX-DGCLKSJQSA-N 265.288 0.549 10 10 CCCE O=C1CC[C@H](C(=O)NCc2c(O)cccc2O)CCN1 1472063525 LRMBGRNRZHHEHL-VIFPVBQESA-N 278.308 0.630 10 10 CCCE O=C(CN1CSCC1=O)NCc1cc(O)ccc1O 1471660604 DWYRNVKNPFIJAQ-UHFFFAOYSA-N 282.321 0.247 10 10 CCCE CC(CO)(CO)CNC(=O)c1ccc(N=NC(N)=O)cc1 1625082175 ARMASJZMRSUHPT-UHFFFAOYSA-N 294.311 0.570 10 10 CCCE CC(=O)N1CC(C(=O)NCc2c(O)cccc2O)C1 1635846813 BRKYRWXCLBXRGN-UHFFFAOYSA-N 264.281 0.192 10 10 CCCE COc1cccc(CNC(=O)c2cc(O)n(C)n2)c1O 1630365661 CJTAJVNVNUDDRH-UHFFFAOYSA-N 277.280 0.770 10 10 CCCE C[C@H](CC(N)=O)NC(=O)[C@@H]1CNc2ccccc2N1 229885226 JTTFGNIKNOKJNN-KCJUWKMLSA-N 262.313 0.273 10 10 CCCE COc1ccc(C)cc1NC(=O)C[C@H]1C(=O)NN(C)C1=O 169996119 KJVBNANLSWCKBV-VIFPVBQESA-N 291.307 0.452 10 10 CCCE C[C@H]1CN[C@H](C)CN1C(=O)c1cccc(O)c1O 158739849 RJLFLKCAZMMNII-BDAKNGLRSA-N 250.298 0.920 10 10 CCCE COC(=O)[C@@H](C)S(=O)(=O)NCc1cccc(C)c1O 2139743334 JFFLZJZTBMRGCF-SECBINFHSA-N 287.337 0.682 10 10 CCCE O=C(c1cccc(O)c1O)N1CCn2ccnc2C1 126400549 JVIPWOVHIRSYQY-UHFFFAOYSA-N 259.265 0.950 10 10 CCCE CCS(=O)(=O)CCNC(=O)[C@H]1CNc2ccccc2N1 233810677 YJEFMHGYVXERAR-GFCCVEGCSA-N 297.380 0.444 10 10 CCCE COc1cc(N)c(N2CC[C@](C)(C(N)=O)C2)cc1OC 234913448 KBSKUSSKGYEARN-AWEZNQCLSA-N 279.340 0.988 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)[C@@]12CNC[C@@H]1C2 1902131229 PIIKRYQPRSOIHM-HZMBPMFUSA-N 262.309 0.366 10 10 CCCE O=C(c1cccc(O)c1O)N1CC(=O)N2CCC[C@H]2C1 1964940338 ZOALHLLUOCIIBR-VIFPVBQESA-N 276.292 0.545 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CCn3nccc3C2)cc1 2144737179 PPGJBDCDRRYCCI-UHFFFAOYSA-N 292.364 0.811 10 10 CCCE Nc1ccc(C[C@]2(O)CCCS(=O)(=O)C2)cc1 258121944 XUNWODSTJCXNPU-GFCCVEGCSA-N 255.339 0.751 10 10 CCCE COc1ccc(N2C[C@H](N(C)C)[C@H](O)C2)c([N+](=O)[O-])c1 2146150750 DNZDGSYRUCSQKG-QWHCGFSZSA-N 281.312 0.715 10 10 CCCE COC[C@]1(O)CCN(c2ccc([N+](=O)[O-])c(CO)c2)C1 2151756702 OOPMBTFJKQSNAO-ZDUSSCGKSA-N 282.296 0.675 10 10 CCCE Cn1cc(S(=O)(=O)NCCOc2ccc(N)cc2)cn1 50252828 DGLXGELMLKOCCX-UHFFFAOYSA-N 296.352 0.360 10 10 CCCE OCc1ccc(N2C[C@@H]3OCCO[C@@H]3C2)c(F)c1 2032415708 IBQGBMQXFTULSL-BETUJISGSA-N 253.273 0.922 10 10 CCCE CCNCc1ccc(N2CC(OC)(C(N)=O)C2)c(C)c1 2161185457 NQIUNENXHFKBQN-UHFFFAOYSA-N 277.368 0.795 10 10 CCCE CC(=O)N[C@@H](C(=O)NCc1cc(N)ccc1O)C(C)C 704267929 XALVDOXELDYBCV-CYBMUJFWSA-N 279.340 0.751 10 10 CCCE C[C@H](N)c1ccc(N(C)[C@H]2COC[C@@H]2O)cc1O 709334210 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Nc1ccc(CCN2CC[C@@H]3OCC(=O)N[C@H]3C2)cc1 2185520716 FCDPKMLDBSILPQ-KBPBESRZSA-N 275.352 0.401 10 10 CCCE CS(=O)(=O)[C@H]1CCN(c2ccc(CN)c(F)c2)C1 2059355115 AAVLGLCGAAMFEF-NSHDSACASA-N 272.345 0.908 10 10 CCCE C[C@@]1(CO)CNCCN1c1cc2c(cc1N)OCCO2 2191627769 SLDMIZLAIDSFIS-AWEZNQCLSA-N 279.340 0.201 10 10 CCCE NC(=O)C1CN(c2ccc(CO)c([N+](=O)[O-])c2)C1 2068304317 RUBNVIPQUPMWSQ-UHFFFAOYSA-N 251.242 0.009 10 10 CCCE COC[C@H](CF)NC(=O)c1cc(O)c(O)c(O)c1 2068617965 MVDIVXOWZBQSIF-ZETCQYMHSA-N 259.233 0.518 10 10 CCCE CN1CCc2cc(CN3C[C@H](O)C[C@@H]3C(=O)O)ccc21 2200879345 UCPWPFJKCXUHBP-TZMCWYRMSA-N 276.336 0.699 10 10 CCCE O=C1NC[C@@H]2CN(c3ccc(CO)cc3F)CC[C@H]12 2100942346 YMAWYYGGUGFXQH-MNOVXSKESA-N 264.300 0.890 10 10 CCCE COc1ccc(N2CCNC[C@H]2CO)c(F)c1F 2081856614 JNMPOZJMKWBOHZ-QMMMGPOBSA-N 258.268 0.744 10 10 CCCE C[S@@](=O)(=NC(=O)c1cc(O)nc(O)c1)[C@@H]1CCNC1 2102807546 UCZNCKFJZCCYNO-YLVJLNSGSA-N 285.325 0.093 10 10 CCCE N[C@H]1C[C@H]2C[C@H]1C[C@@H]2NC(=O)c1cccc(O)c1O 2104408536 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COc1ccc(N2CC[C@@H](O)[C@H](CO)C2)c(C=O)c1 2227687689 IAVKGRJOIUVLPF-SMDDNHRTSA-N 265.309 0.687 10 10 CCCE CO[C@@H](CO)CNC(=O)CCc1ccc(N)cc1 2263476815 MKFGHQJHBRPCSI-GFCCVEGCSA-N 252.314 0.325 10 10 CCCE COc1cc(N)c(N2CC[C@H](O)[C@H](O)CC2)cc1OC 2284564297 XAMWREFCLYWLIC-TXEJJXNPSA-N 282.340 0.608 10 10 CCCE COc1cc(OC)c(N2CCOC[C@@H](N)C2)cc1OC 2289402183 PJCUFWCZZTYYMK-JTQLQIEISA-N 282.340 0.876 10 10 CCCE Cc1ccc(NC=C2C(=O)NC(=O)N(C)C2=O)cc1 2297314431 WRDNERJLKNVCRJ-UHFFFAOYSA-N 259.265 0.999 10 10 CCCE Cc1cc(N2CC([C@@H](O)CO)C2)ccc1[C@H](C)O 2315276340 NDPCADYKKNXTGT-HZMBPMFUSA-N 251.326 0.838 10 10 CCCE COC(=O)[C@@H](NCCCN=[N+]=[N-])[C@@H]1[C@@H]2COC[C@@H]21 2319376434 JEGMYXPPFNUBFQ-JXUBOQSCSA-N 254.290 0.710 10 10 CCCE Cc1nc(CCn2ccc3c(c2=O)CNCC3)n[nH]1 2351885414 JJZHDSYVBVDXBT-UHFFFAOYSA-N 259.313 0.163 10 10 CCCE CCCN(CC(=O)NC(N)=O)c1ccc(N)cc1 63116100 PEPPVSCAIDJAOS-UHFFFAOYSA-N 250.302 0.680 10 10 CCCE CC(C)C(=O)NCCNCc1ccc(O)c(O)c1 20125174 KUHCZTYDMDMBNV-UHFFFAOYSA-N 252.314 0.960 10 10 CCCE COc1ccc(CN2CCO[C@H](CNC(C)=O)C2)c(O)c1 179718016 WLQLGEFJQMYFET-CQSZACIVSA-N 294.351 0.738 10 10 CCCE COc1ccc(N(CCCN)[C@@H](C)C(N)=O)cc1 36730932 AHXMJMABEXQVGB-JTQLQIEISA-N 251.330 0.724 10 10 CCCE Nc1ccc(OC[C@H](O)CN2CC[C@H](O)C2)cc1 61709691 HWAITVJMQIWRQD-NWDGAFQWSA-N 252.314 0.075 10 10 CCCE O=C(NC[C@H]1CC[C@@H](O)C1)c1cc(O)nc(O)c1 227537957 GRHSGIZIDXVSFI-IONNQARKSA-N 252.270 0.384 10 10 CCCE [N-]=[N+]=N[C@H](O)[C@@H]1O[C@H](OCc2ccccc2)C[C@@H](O)[C@H]1O 381764659 MXHAQMCTKATYEI-NZEXEKPDSA-N 295.295 0.669 10 10 CCCE CC1(C)CO[C@H](CNC(=O)c2cccc(O)c2O)CN1 2165615633 MSXSNPKPLJBTKZ-SECBINFHSA-N 280.324 0.595 10 10 CCCE Nc1ccc(NC(=O)CN2CCC[C@H]2C(=O)O)cc1 62460535 QCQHSJFDXGFUAL-NSHDSACASA-N 263.297 0.756 10 10 CCCE CCOc1cccc(CN[C@H](C(=O)O)[C@H](C)O)c1O 75436168 DNHSPVLRBLFFGT-KWQFWETISA-N 269.297 0.715 10 10 CCCE C[C@@H]1CN(c2ccc3c(c2)N(C)C(=O)[C@@H]3N)C[C@@H]1CO 709221750 KQYVVHNQCAGBQU-GPCCPHFNSA-N 275.352 0.727 10 10 CCCE CN(C)C[C@@H]1C[C@H](O)CN1C(=O)Cc1ccc(N)cc1 97244578 MBTRONLRNATNDZ-KBPBESRZSA-N 277.368 0.335 10 10 CCCE CCN(Cc1ccc(N)cc1)S(=O)(=O)c1nc[nH]n1 2122592237 SLDXFIIUQZMECM-UHFFFAOYSA-N 281.341 0.598 10 10 CCCE Cc1ccc(O)c(CN2CC(O)([C@H](F)C(=O)O)C2)c1 2115650194 MEHJPUUAAQFBKP-LLVKDONJSA-N 269.272 0.670 10 10 CCCE Nc1[nH]nnc1C(=O)Nc1ccc(O)cc1C(=O)O 2117484621 MOSFKFLDLKUFJX-UHFFFAOYSA-N 263.213 0.043 10 10 CCCE COc1cccc(O)c1CN[C@@H]1CCO[C@H]1C(N)=O 2117460630 RJILGAQRGATTKB-BXKDBHETSA-N 266.297 0.133 10 10 CCCE Oc1ccc(CN[C@@]23CC[C@@H](C2)[C@@H](O)[C@@H]3O)c(O)c1 2120395927 WYLNNWFOPJJYFW-ISTUKMMPSA-N 265.309 0.462 10 10 CCCE Nc1ccc(OCCCN2CC[C@@H](O)[C@@H](O)C2)cc1 2132115734 MAYQCFLKEPGHSB-KGLIPLIRSA-N 266.341 0.465 10 10 CCCE [N-]=[N+]=N[C@@H]1CCN(CCS(=O)(=O)N2CCOCC2)C1 1912186797 CIOZIWGEVXXBQQ-SNVBAGLBSA-N 289.361 0.033 10 10 CCCE [N-]=[N+]=NCC1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 1912163900 PFRQBGZVAIRQMO-ZJUUUORDSA-N 274.346 0.167 10 10 CCCE COC(=O)[C@](C)(NCCCN=[N+]=[N-])[C@H]1CCCN1 1912188714 QNEIRPWAXJBRBQ-MWLCHTKSSA-N 255.322 0.960 10 10 CCCE NC(=O)c1ccc(C(=O)NCc2c(O)cccc2O)cn1 1635848083 ZJXCVFQJLLXUAI-UHFFFAOYSA-N 287.275 0.522 10 10 CCCE C[C@@H]1CN(C(=O)c2ccc(O)c(O)c2)C[C@@H](CO)O1 230419495 DJNZHNNYSGBKLO-SCZZXKLOSA-N 267.281 0.320 10 10 CCCE COC(=O)[C@@H]1COCCN1C(=O)COc1ccc(N)cc1 163384325 JEHFPBWIHDAIMI-LBPRGKRZSA-N 294.307 0.048 10 10 CCCE CN(C)C(=O)C1(NC(=O)c2cccc(O)c2O)CC1 840501775 YDKSLSUAQITCKE-UHFFFAOYSA-N 264.281 0.448 10 10 CCCE Nc1ccc(OCCNC(=O)C2=NNC(=O)CC2)cc1 236372113 PIIAKOOBPOHSMR-UHFFFAOYSA-N 276.296 0.030 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC(C3(N)CC3)C2)cc1 1876165822 SKVLWMDJWYTKRU-UHFFFAOYSA-N 281.381 0.522 10 10 CCCE CN(c1cc2c(cc1N)OCCO2)[C@@H]1[C@@H]2CNC[C@@H]21 1876265955 QHZUVXGFEYOJDZ-ICCCGROCSA-N 261.325 0.694 10 10 CCCE CC1(C)OCCO[C@@H]1[C@@H](O)[C@@H](N)c1ccccc1O 1889174613 VZGBIUFKGXLJRY-RWMBFGLXSA-N 267.325 0.947 10 10 CCCE C[C@@]1(O)CCCN(c2ccc3c(c2)NC(=O)[C@H]3N)C1 253068532 KVWPZLLKIOGYPP-GXTWGEPZSA-N 261.325 0.990 10 10 CCCE CC1(C)CCN(C(=O)c2cc(O)nc(O)c2)C[C@@H]1CO 2148669814 LVEDMOWIKMKLRD-SNVBAGLBSA-N 280.324 0.973 10 10 CCCE COc1cc(N)c(N2CCCC2(CO)CO)cc1OC 2146083123 UJDBMOSTLLGWMN-UHFFFAOYSA-N 282.340 0.610 10 10 CCCE O=C(NC[C@@H]1C[C@H]2OCC[C@@H]2N1)c1ccc(O)c(O)c1 2146639856 XPXAWMQQZQYSHU-OUJBWJOFSA-N 278.308 0.347 10 10 CCCE NC[C@H]1[C@H](C(=O)NCCc2ccc(O)c(O)c2)C1(F)F 2148015994 MRHZCYUHKSXAML-GZMMTYOYSA-N 286.278 0.597 10 10 CCCE CN(C)C[C@H]1CCN1c1cc2c(cc1F)[C@@H](O)C(=O)N2 2160847610 PLYXJORSUOOYLY-AMIZOPFISA-N 279.315 0.952 10 10 CCCE COC[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 40458050 OPQXAPOGTVPAGI-WPRPVWTQSA-N 268.313 0.119 10 10 CCCE CC(C)N(c1ccc(CN)cc1)[C@@H]1CS(=O)(=O)C[C@@H]1O 2155609546 JLLHIEMTRGGFCT-KGLIPLIRSA-N 298.408 0.518 10 10 CCCE O=C1NCCC[C@H]1NCc1cc2c(cc1O)OCO2 50395533 LWISDICVVSRVCP-SECBINFHSA-N 264.281 0.489 10 10 CCCE CC(=O)c1cc(F)cc(CN2CCOC[C@@H](O)C2)c1O 295600867 NBQUCHKRTQIAMR-LBPRGKRZSA-N 283.299 0.927 10 10 CCCE Nc1ccc(CS(=O)(=O)N2[C@H]3CC[C@H]2[C@H](CO)C3)cc1 2157219651 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276.340 0.740 10 10 CCCE C[C@H](N)[C@H]1CN(C(=O)Nc2ccc(N)cc2)CCO1 1876152702 JNNXIGLSXSNINY-JOYOIKCWSA-N 264.329 0.849 10 10 CCCE C[C@H]1[C@@H](C)N(C)CC[C@]1(NCCCN=[N+]=[N-])C(N)=O 1879248421 ZPJGDQSIOUTTKR-HOSYDEDBSA-N 268.365 0.861 10 10 CCCE C[C@H]1OCCO[C@@H]1CN(C)C(=O)c1cccc(O)c1O 2143692570 UJMPORVUZSYISZ-BXKDBHETSA-N 281.308 0.974 10 10 CCCE COCC[C@H]1CN(C(=O)c2cccc(O)c2O)CCO1 1963478265 VJPXDXQTTRNGKG-JTQLQIEISA-N 281.308 0.975 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CCO[C@@H]2COCC[C@H]21 2143791258 WKWFGXNAHGXVFB-ZWNOBZJWSA-N 279.292 0.728 10 10 CCCE CN(CCNCc1ccc2c(c1)CCCO2)S(C)(=O)=O 1964049679 VTUKCUGAFUCBDH-UHFFFAOYSA-N 298.408 0.993 10 10 CCCE NC(=O)COC1CCN(CCc2ccc(N)cc2)CC1 2145376344 ZWRBSOHWUBEDKC-UHFFFAOYSA-N 277.368 0.778 10 10 CCCE Nc1ccc(CC(=O)N2CC(=O)N[C@H]3CC[C@@H]32)cc1 1972884532 YJMKOLFORYUGCF-RYUDHWBXSA-N 259.309 0.301 10 10 CCCE Nc1ccc(OC[C@@H](O)CN2CC3(CC(O)C3)C2)cc1 2146324904 AECCENFBIYDMLY-ZDUSSCGKSA-N 278.352 0.465 10 10 CCCE C[C@H](C(=O)Nc1ccc(N)cc1)N1C[C@H]2[C@@H](O)C[C@H]2C1 2151391500 HLEPPLGDMMUEID-QOBDMFJFSA-N 275.352 0.908 10 10 CCCE CN1CCN(C)[C@@H](C(=O)N(C)Cc2ccccc2O)C1 2155731410 PHOQMJHSHHLQQE-CYBMUJFWSA-N 277.368 0.596 10 10 CCCE CN1CCCc2cc(CNCCS(N)(=O)=O)ccc21 50286508 FLRSZNNLZSAANV-UHFFFAOYSA-N 283.397 0.447 10 10 CCCE CC[C@](C)(CN)N(C)C(=O)c1cc(O)nc(O)c1 2037645143 JLIFWRMNPUCZLH-GFCCVEGCSA-N 253.302 0.692 10 10 CCCE CC[C@@H]1CN(C(=O)c2ccc(O)c(O)c2)C[C@@H]1O 400472956 YKBMMGOFBYYKAZ-PELKAZGASA-N 251.282 0.941 10 10 CCCE C[C@H](N)c1ccc2c(c1)CCN2C[C@H](O)CN(C)C 312046011 ZANIKKBTDHBAOV-SMDDNHRTSA-N 263.385 0.991 10 10 CCCE NCc1ccc(N2CC[C@@H]3C(=O)NC(=O)[C@@H]3C2)cc1Cl 2158786718 XPBLFVPWUBZDHA-WDEREUQCSA-N 293.754 0.898 10 10 CCCE CN1CC[C@@H](OC(=O)[C@@H](N)Cc2ccc(O)c(O)c2)C1 313011448 WJRUWGHCXYXYSH-MNOVXSKESA-N 280.324 0.215 10 10 CCCE CNCc1ccc(N2CC[C@](O)(CO)C2)cc1C 314008329 PYOCCECORPQNSP-CQSZACIVSA-N 250.342 0.648 10 10 CCCE CCCN(c1ccc(OC)cc1N)[C@H]1CC(=O)NC1=O 2171194077 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COc1cc(C(=O)N[C@@H]2CC[C@@H](CN)C2)cc(OC)n1 2166950780 TZPCKIANQQMCHL-MWLCHTKSSA-N 279.340 0.956 10 10 CCCE C[C@@H](O)c1ccc(N2CC[C@H](C(CO)CO)C2)cc1O 2170641188 AXCSIMLOMWZUBC-MNOVXSKESA-N 281.352 0.873 10 10 CCCE O=C(NCCCn1cncn1)c1cc(O)c(O)c(O)c1 2188874130 DGMNAUKZRDVZEG-UHFFFAOYSA-N 278.268 0.215 10 10 CCCE CN(C[C@@]12COC[C@H]1C2)C(=O)c1cc(O)c(O)c(O)c1 2188875190 OSPLMOVEXUHBID-OTYXRUKQSA-N 279.292 0.912 10 10 CCCE CCN1CCN(C2CN(c3ccc(CN)cc3)C2)CC1 2193423899 BPAQHXKABIAFBB-UHFFFAOYSA-N 274.412 0.971 10 10 CCCE COc1cccc(O)c1[C@H](NCCCO)C(=O)O 2042578657 CMJMHIJDKOTIPF-NSHDSACASA-N 255.270 0.499 10 10 CCCE COC(=O)c1cccc(N)c1N[C@@H]1COC[C@@H]1O 2046420709 BOVACULIZDYDMU-ZJUUUORDSA-N 252.270 0.227 10 10 CCCE O[C@H]1CCc2cc(N3CC[C@H]4C[C@H]3[C@@H](O)[C@H]4O)ccc21 2199531074 IBPVDULDMUNPQO-CUXOXCPVSA-N 275.348 0.987 10 10 CCCE COc1cc(C(=O)N[C@@H](C)CCO)cc(OC)n1 2048074158 DQDOCBYGUQYJFF-QMMMGPOBSA-N 254.286 0.600 10 10 CCCE COC(=O)[C@H](N)[C@@](C)(O)c1ccc(N(C)C)cc1 2049013383 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O=[N+]([O-])c1cc(N2CCO[C@@H]3COC[C@@H]32)ccc1CO 2192647156 JOAHBCQEWVGJMP-QWHCGFSZSA-N 280.280 0.691 10 10 CCCE CN1CCN(C(=O)C2=C[C@H](O)[C@@H](N)C2)c2ccccc21 2188023787 VZMNJPBLTXBARQ-FZMZJTMJSA-N 273.336 0.488 10 10 CCCE CNCc1cc(=O)nc(C2=S=Nc3ccccc32)[nH]1 2103689763 FCTONWXHMQZRJZ-UHFFFAOYSA-N 272.333 0.969 10 10 CCCE CO[C@@H]1C[C@H](O)CN(C(=O)c2cccc(O)c2O)C1 2109027229 HQKXIYJXHUUDDO-DTWKUNHWSA-N 267.281 0.320 10 10 CCCE C[C@H]1CN2C(=O)N(c3ccc(N)cc3)C(=O)[C@H]2CO1 2109537277 JBFPXFZGVJMXLB-GZMMTYOYSA-N 261.281 0.825 10 10 CCCE NCc1ccc(N2C[C@@H](CO)C[C@@H]2CO)c(F)c1F 2089906610 DKIRRWSBNFOBQH-WCBMZHEXSA-N 272.295 0.603 10 10 CCCE NC(=O)c1cccc(N)c1N[C@@H]1C[C@H](CO)[C@@H]2C[C@H]12 2110571707 CATUAEAUGFOYNC-WCXZBXRPSA-N 261.325 0.797 10 10 CCCE Cc1ncnc(NC(=O)COc2ccc(N)cc2)n1 2093826354 LJTVGLXQZCMTBH-UHFFFAOYSA-N 259.269 0.780 10 10 CCCE CC[C@@]1(O)CCN(c2ccc3c(c2)NC(=O)[C@H]3N)C1 2094381156 XHGNNAGCDNQBNJ-GXTWGEPZSA-N 261.325 0.990 10 10 CCCE CCN(Cc1cc(F)ccc1O)[C@H]1CC(=O)NC1=O 2114734083 CPWPLKLTMYTARE-JTQLQIEISA-N 266.272 0.768 10 10 CCCE O=C(O)[C@@]1(CO)CCN(Cc2cc(F)cc(F)c2O)C1 2201082854 TZEFHMFOXKFWEF-ZDUSSCGKSA-N 287.262 0.939 10 10 CCCE CC1(C)CCN[C@H]1CNC(=O)c1cc(O)c(O)c(O)c1 2204727621 GHTIYIQXUSNWCF-NSHDSACASA-N 280.324 0.921 10 10 CCCE COc1ccc(N2CCN[C@H]3CS(=O)(=O)C[C@@H]32)cc1C 2206588399 ZWKZRLUAHOACGW-STQMWFEESA-N 296.392 0.579 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CC[C@H](OCCCO)C1 2207049329 NLWRRDXNGZTCFL-NSHDSACASA-N 281.308 0.711 10 10 CCCE COc1ccc(N(CCO)CCCO)cc1OC 2219637162 IIFFIEFUMPVSEK-UHFFFAOYSA-N 255.314 0.885 10 10 CCCE CNC(=O)[C@H]1CCCN1c1ccc(OC)cc1CN 2227679514 KNXXSTAUYIFZIP-CYBMUJFWSA-N 263.341 0.869 10 10 CCCE CSc1ncc(CNCc2cn(CCO)nn2)s1 2257101739 GRSJSVKIONMSRY-UHFFFAOYSA-N 285.398 0.739 10 10 CCCE CN(C(=O)c1cc(O)c(O)c(O)c1)[C@@H]1CNCC12CC2 2286987427 PONRGNQFBGGWAW-LLVKDONJSA-N 278.308 0.627 10 10 CCCE Cc1cc(N2CC3(CNC(=O)N3)C2)ccc1[C@@H](C)O 2269686034 GCIXXURMJLGXCD-SNVBAGLBSA-N 261.325 0.920 10 10 CCCE C[C@@H](N)c1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CF)cc1 2311999362 SDCSUUGXLPVEAP-NZBQSGDWSA-N 254.305 0.586 10 10 CCCE O=C(N[C@H]1C[C@@H]2CO[C@H]1C2)c1cc(O)c(O)c(O)c1 2334534708 LGRUGCFHNOREDA-RASWFIQWSA-N 265.265 0.711 10 10 CCCE COc1cc(CC2(O)CCNCC2)cc(O)c1O 1951527424 BQLLJFOKRMWLRZ-UHFFFAOYSA-N 253.298 0.763 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N(C)C3(CO)CC3)ccc21 2128185502 HXDWWWGBUOBISE-GFCCVEGCSA-N 261.325 0.860 10 10 CCCE CN(C)Cc1cc([C@@H](O)C2(C(=O)O)CNC2)ccc1O 1951917937 IBVKWEFZCDSGGS-GFCCVEGCSA-N 280.324 0.161 10 10 CCCE COc1ccc2c(c1)[C@]1(C)CN(C)C(=O)[C@@]1(O)N2C 32106202 MLYAWYWMHFLNLT-KBPBESRZSA-N 262.309 0.563 10 10 CCCE Nc1ccc(NC(=O)NC(=O)C2CCNCC2)cc1 217313664 HFEQFHHBAWXUGJ-UHFFFAOYSA-N 262.313 0.917 10 10 CCCE COc1cc(C2([C@](C)(N)C(=O)O)CC2)cc(O)c1O 1952153517 UGOGJCQBQSMIJX-GFCCVEGCSA-N 267.281 0.940 10 10 CCCE Nc1ccc(NC(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1 40166774 COXWZUYRJLNSSN-VIFPVBQESA-N 283.353 0.825 10 10 CCCE COCCNC(=O)CNCc1ccc2c(c1)CCCN2C 134534089 IELJZBAMVYWUPL-UHFFFAOYSA-N 291.395 0.921 10 10 CCCE N[C@H]1CC[C@H](CNC(=O)c2cccc(O)c2O)C1 227564086 ICYPKSUOTRVTRP-IUCAKERBSA-N 250.298 0.955 10 10 CCCE O=C(NC[C@H](O)[C@@H]1CCCO1)c1cccc(O)c1O 529769193 NKSKDGNVCDGSQW-QWRGUYRKSA-N 267.281 0.368 10 10 CCCE C=Cc1cc(OC)cc2c1N(CCN)CCNC2=O 527431067 ROCKAWNIDBGRPM-UHFFFAOYSA-N 261.325 0.847 10 10 CCCE CO[C@@H]1CCN(C[C@@H](O)COc2ccc(N)cc2)C1 300092080 IISAWCPWRCAJBM-TZMCWYRMSA-N 266.341 0.729 10 10 CCCE CN1CCc2cc([C@H](C[C@H]3COCCO3)NN)ccc21 2163136314 RWEXPHGICKNMGO-KBPBESRZSA-N 277.368 0.989 10 10 CCCE CC(=O)C(=O)COC(=O)Cc1n[nH]c2ccccc12 808508946 FVYDCWRKBBTTBM-UHFFFAOYSA-N 260.249 0.807 10 10 CCCE CC(=O)c1cc(F)cc(CN2CC[C@@H](O)[C@H](CO)C2)c1O 396850725 KRWYKEYWDUWOJO-SMDDNHRTSA-N 297.326 0.909 10 10 CCCE CC(=O)N[C@H](CC1CCC1)C(=O)OCC(=O)C(C)=O 808545795 OARSURFLGRCWLQ-LLVKDONJSA-N 269.297 0.383 10 10 CCCE CO[C@@H](C)[C@@H](CC(=O)O)NC(=O)Cc1ccc(N)cc1 2165784543 CNKKJLOQIDRLLQ-JOYOIKCWSA-N 280.324 0.806 10 10 CCCE 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CCCE CCOC(=O)C1CN(C(=O)Cc2ccc(O)c(O)c2)C1 1969809142 UWGYLQQXMKFVIQ-UHFFFAOYSA-N 279.292 0.662 10 10 CCCE COc1cccc(O)c1CNC[C@@H](CCO)OC 1972503435 MAPLBGRIVDRKIZ-SNVBAGLBSA-N 255.314 0.888 10 10 CCCE CS(=O)(=O)c1ccc([C@@H](N)CC(=O)O)c(O)c1F 258491571 GHQPBAPSYHCSSZ-LURJTMIESA-N 277.273 0.409 10 10 CCCE CN(CC(C)(C)O)c1ccc2c(c1)N(C)C(=O)[C@H]2N 155754219 BCWRUSVQXNHSBE-LBPRGKRZSA-N 263.341 0.870 10 10 CCCE Nc1ccc(CCC(=O)N2CCOC[C@@H]2CO)cc1 167895036 RRVPMGXKWWQVRV-ZDUSSCGKSA-N 264.325 0.421 10 10 CCCE Cc1cc(N2CCCC2(CO)CO)ccc1CO 2029383161 IJQFBCOCOXRDBY-UHFFFAOYSA-N 251.326 0.811 10 10 CCCE CC1([C@H](CO)NC(=O)c2ccc(O)c(O)c2)CC1 2033122514 OEXRAFOFJFCWDV-NSHDSACASA-N 251.282 0.989 10 10 CCCE CN1CCOC[C@H]1CNC(=O)Nc1ccc(N)cc1 700141903 BMYSFULQMIRSLF-GFCCVEGCSA-N 264.329 0.721 10 10 CCCE C[C@H]1C[C@@H](N(C)C(=O)c2cccc(O)c2O)CN1 2037327454 DIDQMXUNARFDRA-DTWKUNHWSA-N 250.298 0.920 10 10 CCCE CN1CCOC[C@@H]1CNC(=O)Cc1ccc(N)cc1 700237938 PXKJFLDOWJYNQK-ZDUSSCGKSA-N 263.341 0.258 10 10 CCCE Cc1nn(C)c(C)c1[C@H](NCCCN=[N+]=[N-])C(N)=O 307997239 OOEIJMICHSGXBJ-JTQLQIEISA-N 265.321 0.853 10 10 CCCE COc1cc(Br)cc(CNCC(N)=O)c1O 309923904 ULPALGVMIPKKQK-UHFFFAOYSA-N 289.129 0.738 10 10 CCCE CN(Cc1nncn1C)c1ccc2c(c1)NC(=O)[C@@H]2N 312677195 OJXFTVPDOPRQFN-GFCCVEGCSA-N 272.312 0.403 10 10 CCCE Nc1ccc(CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](O4)[C@@H]3C2=O)cc1 313583931 TVTRCZOMMWXPTA-LPWJVIDDSA-N 270.288 0.707 10 10 CCCE O=S1(=O)C[C@@H](O)[C@@H](NCc2ccc3c(c2)CCCO3)C1 2160556396 HQPHQWSGNJPZCS-QWHCGFSZSA-N 297.376 0.259 10 10 CCCE Nc1ccc(OCC(=O)N[C@@H]2C[C@H]3C[C@H]2C[C@H]3O)cc1 2160692601 BXLMBMCBCCLLEC-GZZJDILISA-N 276.336 0.923 10 10 CCCE COc1cccc(O)c1CN1CC[C@@H]2C(=O)NC[C@H]2C1 2160714725 SAGKVNDIVVQUPC-QWRGUYRKSA-N 276.336 0.969 10 10 CCCE CN[C@H](C)c1ccc(N(C)[C@H]2CC(=O)NC2=O)c(F)c1 2171207914 WFYVUZBYMFATTF-PELKAZGASA-N 279.315 0.957 10 10 CCCE C[C@H](NCC1CS(=O)(=O)C1)c1ccc(O)cc1O 701866572 DGEJBCBQMARMAF-QMMMGPOBSA-N 271.338 0.793 10 10 CCCE CN(C(=O)Cc1cc(O)nc(O)n1)c1ccc(N)cc1 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CNCc1cc(F)c(N2CCOC[C@@H](O)C2)c(F)c1 399906032 CKYJPAWBUQIPIN-JTQLQIEISA-N 272.295 0.882 10 10 CCCE COC(=O)[C@H](C1CC1)S(=O)(=O)NCc1ccccc1O 2167066952 QUBTUACUIGGJHH-LBPRGKRZSA-N 299.348 0.763 10 10 CCCE CN(CC1[C@H]2COC[C@H]12)C(=O)COc1ccc(N)cc1 2174705769 WPRPNFNHNMNOON-ZIAGYGMSSA-N 276.336 0.998 10 10 CCCE CS(=O)(=O)[C@H]1CCN(CC(=O)c2ccc(O)c(O)c2)C1 2179899298 OCPXAZDQMSVQBH-JTQLQIEISA-N 299.348 0.399 10 10 CCCE Nc1cc2c(cc1N1CC(=O)N[C@H]3CC[C@@H]31)OCCO2 2168362601 MBIQVKWNQWJMNN-UWVGGRQHSA-N 275.308 0.507 10 10 CCCE O=C(NC[C@]1(C(=O)O)CC1(F)F)c1cc(O)nc(O)c1 2196490480 DMNVHELZNVKUHL-JTQLQIEISA-N 288.206 0.333 10 10 CCCE NC(=O)[C@@H]1CCC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2188913437 RVAGTLKIQQXLGL-HTQZYQBOSA-N 280.280 0.187 10 10 CCCE CCOc1cccc(CN2CCN[C@@H]3COC[C@H]32)c1O 2189097387 XMIBVHOIHOGFBT-CHWSQXEVSA-N 278.352 0.964 10 10 CCCE CC1(N)CC(NS(=O)(=O)CCOc2ccc(N)cc2)C1 2191684901 KSYSWKQXATYNNI-UHFFFAOYSA-N 299.396 0.447 10 10 CCCE Nc1ccc(OCCC(=O)N[C@@H]2COCC[C@@H]2N)cc1 2191677253 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CCCE CN(CCOc1ccc(N)cc1)C[C@H]1COCCO1 2087386282 PMIKFLHMCBFFOT-AWEZNQCLSA-N 266.341 0.995 10 10 CCCE N[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)C2(CC2)C1 2098838180 FENVHOBBYQBZRP-VIFPVBQESA-N 263.297 0.589 10 10 CCCE O=C(O)CN1CC[C@H](NCc2ccc(O)c(O)c2)C1 2113033038 JMNJUTBMQVFFKC-JTQLQIEISA-N 266.297 0.346 10 10 CCCE COc1cc(N2C[C@@H]3C[C@H](C2)[C@H](O)[C@@H]3O)ccc1CN 2204545759 SXZMYIBEHDWDKT-AGCIHXOGSA-N 278.352 0.332 10 10 CCCE Cn1nncc1S(=O)(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-] 2218745871 OCYOZLVHNVGCOT-BQBZGAKWSA-N 271.306 0.325 10 10 CCCE COc1ccc(N2C[C@H](O)C[C@@H](O)C2)c(C=O)c1 2220423740 PYXYPTCVRQHUHO-GHMZBOCLSA-N 251.282 0.440 10 10 CCCE Cc1cc([C@@H](C)O)ccc1N1C[C@@H](O)[C@H](CO)C1 2223974525 CYFBOEZIJDFVPQ-SCDSUCTJSA-N 251.326 0.838 10 10 CCCE [N-]=[N+]=NC[C@H]1CCN(C(=O)c2nc[nH]c2C(=O)O)C1 2225791640 GDNSMJYJJNGNAN-ZCFIWIBFSA-N 264.245 0.880 10 10 CCCE COc1cc(N(C[C@@H](C)O)C[C@@H](C)O)ccc1CN 2226058094 UAZPMXZGKCUFRK-GHMZBOCLSA-N 268.357 0.722 10 10 CCCE COc1ccc(N2C[C@@H](CO)[C@@H](CO)C2)cc1OC 2226805765 LBSSLJPUWKXXOF-PHIMTYICSA-N 267.325 0.741 10 10 CCCE COc1ccc(N2CC(S(C)(=O)=O)C2)c(C(=O)O)c1 2227668481 PXLWMFLAVAYVQR-UHFFFAOYSA-N 285.321 0.627 10 10 CCCE O=C1CCC2(CN(C(=O)c3ccc(O)c(O)c3)C2)N1 2229680216 DGMIOLMFGNUSBQ-UHFFFAOYSA-N 262.265 0.202 10 10 CCCE COc1ccc(N(C)[C@H]2CS(=O)(=O)C[C@@H]2N)cc1 2253396186 DWHQCFYJBKIGHP-RYUDHWBXSA-N 270.354 0.256 10 10 CCCE O[C@@H](c1ccc(N2CCNCC2)cc1)c1ccncn1 2286066420 SXWIFPXMKKEZMA-HNNXBMFYSA-N 270.336 0.968 10 10 CCCE COc1ccc(N2CC(O)(CCO)C2)c([N+](=O)[O-])c1 2270657337 ORQRSRUFRBRDKF-UHFFFAOYSA-N 268.269 0.537 10 10 CCCE NC(=O)c1nc(CNC(=O)Nc2ccc(N)cc2)no1 2285701884 QLYNNGXLOCMUQE-UHFFFAOYSA-N 276.256 0.072 10 10 CCCE CN(C(=O)COc1ccc(N)cc1)[C@@H]1CNCC12CC2 2287016797 OIAMXCYBUPWMCW-CYBMUJFWSA-N 275.352 0.858 10 10 CCCE [N-]=[N+]=NCCN[C@]1(C(=O)O)C[C@@H]2[C@@H]1[C@@H]1CC[C@H]2O1 2310683959 KFDWAZXUFAANQY-KSFAHDSMSA-N 252.274 0.907 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@H]2C[C@@H]3OCC[C@H]23)cc1 2328819709 RUQOCPWUGLJZLG-AGIUHOORSA-N 282.365 0.866 10 10 CCCE Nc1ccc(O)c(CN2[C@H]3CC[C@@H]2C[C@@H](O)[C@H]3O)c1 2331974219 IEHGJSOTBHHWFF-WVWOOGAGSA-N 264.325 0.433 10 10 CCCE [N-]=[N+]=N[C@H]1CCC[C@H]1NS(=O)(=O)N1CCC[C@@H](O)C1 2333612220 JGMIIUZHWQZDMW-KXUCPTDWSA-N 289.361 0.509 10 10 CCCE O=S1(=O)C[C@@H]2CN(c3c(F)cc(CO)cc3F)C[C@@H]21 2336478353 CGPDXCUHVHAALI-KWQFWETISA-N 289.303 0.690 10 10 CCCE C[C@H](Cc1ccc(O)c(O)c1)C(=O)N(CCO)CCO 170245052 JOJYMQLGRUABOG-SNVBAGLBSA-N 283.324 0.090 10 10 CCCE C[C@@H](CN)CN1CCN(C(=O)c2cccc(O)c2O)CC1 125939022 UEOOKGFQAQOXFY-NSHDSACASA-N 293.367 0.450 10 10 CCCE CNCc1cc(F)c(N2C[C@@H](CO)[C@@H](O)C2)c(F)c1 316626096 YLFULKISGYAOCP-CABZTGNLSA-N 272.295 0.474 10 10 CCCE C[C@H](CO)N(C)CC(=O)N(C)c1ccc(N)cc1 122271290 YRCKAWQDYVKXJX-SNVBAGLBSA-N 251.330 0.544 10 10 CCCE CNC(=O)NC(=O)[C@@H](C)OC(=O)COc1ccc(N)cc1 41093732 MQIMSDOYWIFBRX-MRVPVSSYSA-N 295.295 0.035 10 10 CCCE O=C1CC[C@H](NCc2ccc(O)c(O)c2O)CN1 226754848 TXQBZDHUGKXPJH-QMMMGPOBSA-N 252.270 0.172 10 10 CCCE CN(C(=O)C=Cc1cnn(C)c1)c1cc(CN)ccn1 1911833423 SZSQFFFATWKWND-UHFFFAOYSA-N 271.324 0.950 10 10 CCCE CN1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1=O 190381300 HFOLYVAQAGIIND-GQCTYLIASA-N 290.319 0.802 10 10 CCCE CN(Cc1ccc(N)cc1)S(=O)(=O)c1ccn[nH]1 223187721 GXBQYHBLUXVRRE-UHFFFAOYSA-N 266.326 0.813 10 10 CCCE CC(=O)c1cc(F)cc(CN2CCOC[C@@H]2C(N)=O)c1O 92228566 AHMDTYNNWACASF-GFCCVEGCSA-N 296.298 0.420 10 10 CCCE CCNC(=O)CN(C)c1ccc(CN)c(F)c1F 233476037 BMZHIWCYVWMXGL-UHFFFAOYSA-N 257.284 0.996 10 10 CCCE O=C(O)[C@H]1CN(c2ccc3c(c2)CCO3)CC[C@@H]1O 606600632 OPRVODAXIIMWIT-RYUDHWBXSA-N 263.293 0.893 10 10 CCCE CO[C@@H]1CN(CCC(=O)Nc2ccc(N)cc2)C[C@H]1O 396045042 YXUWDTPNLFSHLF-CHWSQXEVSA-N 279.340 0.289 10 10 CCCE COc1ccc(N2CCC(NC[C@@](C)(O)CO)CC2)cc1 812844900 MTJXPCOSRXFLDV-MRXNPFEDSA-N 294.395 0.997 10 10 CCCE COc1ccccc1NC[C@H](O)CN1CCN(C)CC1 819393712 GLYNSQGLOFVLOK-ZDUSSCGKSA-N 279.384 0.715 10 10 CCCE COc1ccc(O)c(CNC(=O)[C@]2(C)C[C@H](O)CN2C)c1 822304680 SRNZSXYQFLCODI-NHYWBVRUSA-N 294.351 0.472 10 10 CCCE CCc1cccc(CN2C[C@@H](O)C[C@@H](O)C2)c1O 848889947 NUODFEUHODAEBC-BETUJISGSA-N 251.326 0.882 10 10 CCCE C[C@H]1OCC[C@@H]1S(=O)(=O)NCCc1ccc(N)cc1 842821621 ODLNJVYGIIRISW-MFKMUULPSA-N 284.381 0.908 10 10 CCCE CN1C[C@H](C(=O)NCc2c(O)cccc2F)NC1=O 928706016 NQWCEIXFVTVTJE-SECBINFHSA-N 267.260 0.171 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H]1C=CCC1 698296052 VGYRMLKGLOYPIT-QWRGUYRKSA-N 262.309 0.802 10 10 CCCE COc1ccnc(OC)c1C(=O)OCC(=O)C(C)=O 869816916 CKEYPPXDLOJOOV-UHFFFAOYSA-N 267.237 0.414 10 10 CCCE NCC[C@@H]1COCCN1C(=O)c1cccc(O)c1O 694977685 ZYDGGQTWDZQVIE-SECBINFHSA-N 266.297 0.288 10 10 CCCE NC(=O)c1ncccc1C(=O)NCc1ccccc1O 787443181 BFIQAUCWWNGFLI-UHFFFAOYSA-N 271.276 0.816 10 10 CCCE C[C@@H]1CNCCN1c1ccc2c(c1)N(C)C(=O)CO2 84624572 PEIPSKFZWKAUSR-SNVBAGLBSA-N 261.325 0.840 10 10 CCCE CC(=O)c1ccc(O)c(CN(C)[C@@H](C)C(N)=O)c1 711060040 XASVRIRSCYCXFR-QMMMGPOBSA-N 250.298 0.900 10 10 CCCE C[C@@H](O)[C@@H](O)CNC(=O)CCc1ccc(N)cc1 717364325 GNAOMZANTGDHMK-SKDRFNHKSA-N 252.314 0.059 10 10 CCCE COCCNCC(=O)N[C@@H](C)c1ccccc1O 870988208 IUXABJDPKYJNCR-JTQLQIEISA-N 252.314 0.805 10 10 CCCE C[C@@H]1C(=O)NC(=O)CN1c1ccc2c(c1)CC[C@@H]2N 2128326634 JKOURNQTTRWTSJ-PELKAZGASA-N 259.309 0.484 10 10 CCCE OC[C@@H]1C[C@H](NCc2c(O)cccc2Cl)[C@H](O)[C@@H]1O 2121472518 FEJWEOYIICIAKY-SWMFJSFKSA-N 287.743 0.238 10 10 CCCE C[C@@H](N)c1ccc(N2C[C@@H]3C[C@H](C2)[C@@H](O)[C@H]3O)cc1 2126157025 PDSOHHACUVUREP-DJOIZQNCSA-N 262.353 0.884 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1Cc2c[nH]nc2C1 1637289732 DJJXHFMVDVKSHQ-UHFFFAOYSA-N 259.265 0.906 10 10 CCCE CN1CCN(c2ccc(CO)c([N+](=O)[O-])c2)CC1=O 2132057350 CTOXAHJWLIAAAP-UHFFFAOYSA-N 265.269 0.366 10 10 CCCE O=C(NC1CCS(=O)CC1)c1cc(O)c(O)c(O)c1 2132348722 RESROTIEKYMRBY-UHFFFAOYSA-N 285.321 0.444 10 10 CCCE CN1CCN(C(=O)c2cc(O)c(O)c(O)c2)[C@@H]2C[C@H]21 2132407010 LZZGNNGVEHASOG-RKDXNWHRSA-N 264.281 0.332 10 10 CCCE CN(C)S(=O)(=O)CCN1CCc2cc(CN)ccc21 2133392173 YNXLVTUQLMYGDG-UHFFFAOYSA-N 283.397 0.399 10 10 CCCE COc1cn(CCOc2ccc(N)cc2)c(=O)nc1O 1913082524 BZQQFXHQLDVAKD-UHFFFAOYSA-N 277.280 0.619 10 10 CCCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)CN2CCOCC2)C1 1912151075 CCKGFSLNBXLRQW-SNVBAGLBSA-N 253.306 0.620 10 10 CCCE COCCNC(=O)[C@@H](C)N1CCC[C@H](N=[N+]=[N-])C1 1912160704 ZHCCCDYBSKFIJG-ZJUUUORDSA-N 255.322 0.912 10 10 CCCE [N-]=[N+]=N[C@@H]1CCN(CCN2CCCS2(=O)=O)C1 1912206428 JUAWUTCCDWJCDP-SECBINFHSA-N 259.335 0.407 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CC(CO)(CO)C3)c(Cl)cc21 1914971112 OCTYSZDIQPPLJM-NSHDSACASA-N 297.742 0.083 10 10 CCCE C[C@@H]1C(=O)NCCN1C(=O)CCOc1ccc(N)cc1 110653093 QREQMKJPODGXGE-SNVBAGLBSA-N 277.324 0.385 10 10 CCCE CC[C@@H](O)c1ccc(N2CC(O)(C(N)=O)C2)cc1 1915236929 WGYNWFBTTRXWMB-LLVKDONJSA-N 250.298 0.166 10 10 CCCE CCOC(=O)[C@@H](N)C(=O)N(C)[C@@H](C)c1ccccc1O 224031974 FLTLAOQFTOPNKM-CABZTGNLSA-N 280.324 0.802 10 10 CCCE COc1cccc(CNC(=O)c2ccn3nnnc3c2)c1O 1294925606 QNVYYLFLHINPDG-UHFFFAOYSA-N 299.290 0.769 10 10 CCCE CC[C@@H](C)[C@@H](CO)NC(=O)c1cc(O)c(O)c(O)c1 2136483341 XOENYEGHRXUSTF-VXNVDRBHSA-N 269.297 0.940 10 10 CCCE NC[C@@]12CC[C@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 2136691419 HBGKDYUNPATTMB-TVQRCGJNSA-N 263.297 0.304 10 10 CCCE COCC1(O)CN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 1556760921 GZIHTXWVAXRRKN-HWKANZROSA-N 279.292 0.331 10 10 CCCE COc1cc(N2CC[C@H](O)[C@](C)(O)C2)ccc1CO 2139699821 AQDQGIUWLKFXFQ-UONOGXRCSA-N 267.325 0.510 10 10 CCCE NCCCN1CCN(C(=O)c2cccc(O)c2O)CC1 125937832 XFHAJJHIUFUHHJ-UHFFFAOYSA-N 279.340 0.204 10 10 CCCE Nc1ccc(CNC[C@H]2CCCS2(=O)=O)cc1 1944075692 OYHLUJQJQIPRPH-GFCCVEGCSA-N 254.355 0.936 10 10 CCCE O=C1C[C@@H](NCc2cccc(Cl)c2O)C(=O)N1 1947012219 NLASGDHWZIFOAP-MRVPVSSYSA-N 254.673 0.550 10 10 CCCE CN(C[C@H]1CCN1)C(=O)CCOc1ccc(N)cc1 1876477007 DHKOWKOQIDGNFC-GFCCVEGCSA-N 263.341 0.858 10 10 CCCE CC(C)(C)OC(=O)NC[C@H](O)C(=O)NCCCN=[N+]=[N-] 1882297581 DZABMLSTFKAOSE-QMMMGPOBSA-N 287.320 0.689 10 10 CCCE C[C@@H]1CN(C(=O)Cc2ccc(N)cc2)C[C@H](CCO)O1 1972577601 MQYJJNJINOVCFK-RISCZKNCSA-N 278.352 0.810 10 10 CCCE Nc1ccc(CC(=O)N2C[C@]3(CO)C[C@]3(CO)C2)cc1 1973370479 ROZFWAJJNBECRY-GASCZTMLSA-N 276.336 0.015 10 10 CCCE NC[C@H]1C[C@H]1CNC(=O)Cc1ccc(O)c(O)c1 1973710447 LDMLPQWQFNBVPZ-ZJUUUORDSA-N 250.298 0.351 10 10 CCCE CNCC(=O)c1cc(N2CCOCC2)ccc1OC 258572025 XUSIEJUMASBRRF-UHFFFAOYSA-N 264.325 0.934 10 10 CCCE C[C@H](c1ccccc1O)N(C)C(=O)[C@H]1C[C@H](O)CN1 37826544 CFZOABQPRVERRU-JFGNBEQYSA-N 264.325 0.634 10 10 CCCE O=S1(=O)C=C[C@H](NCc2c(O)cccc2F)C1 1997963325 LVHCTHLSCRYBLH-QMMMGPOBSA-N 257.286 0.932 10 10 CCCE Nc1ccc(NC(=O)CCCN(CCO)CCO)cc1 40694830 FFMWXDZOLMIBFX-UHFFFAOYSA-N 281.356 0.274 10 10 CCCE NCc1ccc(N2CCC2(CO)CO)cc1Cl 2018511384 JEBRQCPOXJXRRW-UHFFFAOYSA-N 256.733 0.732 10 10 CCCE NC(=O)[C@H]1CC[C@@H](NCc2cccc(O)c2O)C1 2029527377 ZJFNZZTWUNGMGO-WCBMZHEXSA-N 250.298 0.841 10 10 CCCE NS(=O)(=O)C1(CNCc2ccc(Cl)cc2O)CC1 2029640835 GMZIIODIHDDIAB-UHFFFAOYSA-N 290.772 0.956 10 10 CCCE C[C@@H](C(=O)NCCc1ccc(O)c(O)c1)C(N)=S 2031078950 NYONJJHJDCNNRA-SSDOTTSWSA-N 268.338 0.679 10 10 CCCE COCCS(=O)(=O)Nc1ccnn1-c1ccc(N)cc1 61628843 RRCCSMYTPNAMFT-UHFFFAOYSA-N 296.352 0.843 10 10 CCCE CN(C)[C@@H]1CC[C@H]1NC(=O)c1ccc(O)c(O)c1 2039968674 UCAUSOXKWLPAER-NXEZZACHSA-N 250.298 0.920 10 10 CCCE CONCCC(=O)NCCc1ccc(O)c(O)c1 2040595429 GYDAVBWEQOYXBP-UHFFFAOYSA-N 254.286 0.298 10 10 CCCE C[C@@H](N)c1ccc(N2CC[C@@](O)(C(N)=O)C2)c(Cl)c1 311794178 CMUZZPVXJXKNKW-OQPBUACISA-N 283.759 0.786 10 10 CCCE CN1CC[C@@H](N(C)CC(=O)N(C)c2ccc(N)cc2)C1 312889575 WMLMSVZKYRZOGR-CQSZACIVSA-N 276.384 0.868 10 10 CCCE CO[C@@](C)(CO)CNC(=O)Cc1ccc(N)cc1 702532084 PCJPPKFYLXZOQT-CYBMUJFWSA-N 252.314 0.325 10 10 CCCE CN(CCn1cnnc1)C(=O)COc1ccc(N)cc1 707230492 QANCULSJOACPBH-UHFFFAOYSA-N 275.312 0.398 10 10 CCCE COC[C@@](C)(CO)N(C)CC(=O)c1ccc(O)c(O)c1 689874743 KZHKVDWBYRTPMW-CQSZACIVSA-N 283.324 0.610 10 10 CCCE Nc1ccc(OCCC(=O)O[C@H]2CCNC2=O)cc1 691471008 GKGWKDFRJQVTHM-NSHDSACASA-N 264.281 0.469 10 10 CCCE OCc1cc(F)c(N2C[C@@H]3OC[C@H](CO)[C@@H]3C2)c(F)c1 2178086790 NPMRXHCQWJHVIZ-KWBADKCTSA-N 285.290 0.901 10 10 CCCE CCN(CCN1C(=O)CNC1=O)Cc1ccc(N)cc1 695043147 YKKYKBYKOMFYSJ-UHFFFAOYSA-N 276.340 0.643 10 10 CCCE C[C@@H](N)c1ccc(N2C[C@H]3C(=O)NC(=O)[C@H]3C2)cc1 386840717 UDOMQHGVXJCQMM-FXAINCCUSA-N 259.309 0.415 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3CCSC[C@@H]3CO)cc21 387988563 TYSKRGDHSDCEGR-GXFFZTMASA-N 293.392 0.577 10 10 CCCE C[C@@H](N)c1ccc(N2CC[C@@H](O)[C@@H](CO)C2)cc1 396980602 RZNLNMVPFUWKSN-MPKXVKKWSA-N 250.342 0.886 10 10 CCCE O=C1Nc2cc(N3CC(n4ccnn4)C3)ccc2[C@H]1O 2170187772 LDHUJGJURBWCOZ-GFCCVEGCSA-N 271.280 0.325 10 10 CCCE CCCN(Cc1ccccc1O)CC(CO)(CO)CO 2179799462 OJFKPGAREHVCLD-UHFFFAOYSA-N 283.368 0.568 10 10 CCCE COc1cccc(CN[C@@]23CC[C@@H](C2)[C@@H](O)[C@@H]3O)c1O 2176918307 VIANIOKBOVKWPL-FLCCKXIQSA-N 279.336 0.765 10 10 CCCE CCN(c1ccc([C@H](C)O)c(O)c1)[C@H]1CC(=O)NC1=O 2171194900 FJNDHVSLVQBHDB-KWQFWETISA-N 278.308 0.687 10 10 CCCE CCOC(=O)[C@@]1(NCCN=[N+]=[N-])CCCC(=O)N(C)C1 2188492313 VOBOMFJJJAXKJB-GFCCVEGCSA-N 283.332 0.831 10 10 CCCE CN1C[C@@H](N(C)c2ccc3c(c2)NC(=O)[C@H]3N)CC1=O 2188491605 NYMLTUOSUDVGLM-ZANVPECISA-N 274.324 0.305 10 10 CCCE CC1(C)C[C@H](O)[C@@H](O)CN1C(=O)c1ccc(O)c(O)c1 2188678303 QLBIOXNUCMQJBO-RYUDHWBXSA-N 281.308 0.444 10 10 CCCE Nc1cc2c(cc1N1CC[C@@H](O)[C@@H](O)C1)CCC(=O)N2 2188636823 SWQXLTKLVMARNJ-OLZOCXBDSA-N 277.324 0.085 10 10 CCCE C[C@@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)C[C@H]1CO 2188867622 DJPXTWMZYGDAQH-SCZZXKLOSA-N 281.308 0.894 10 10 CCCE NC[C@@]12CC[C@@H](CN1C(=O)c1cc(O)c(O)c(O)c1)C2 2188923422 MHPGIDLZAVQQAX-CLAHSXSESA-N 278.308 0.757 10 10 CCCE CCN[C@H](CNC(=O)c1cc(O)c(O)c(O)c1)C1CC1 2188913239 QCXDYMADHARZQF-SNVBAGLBSA-N 280.324 0.921 10 10 CCCE CN(C(=O)CN(C)C1CC(CO)C1)c1ccc(N)cc1 2193576247 ZWWOJEJENHYBIO-UHFFFAOYSA-N 277.368 0.934 10 10 CCCE O[C@H]1C[C@H]2C[C@@H]([C@H]1O)N(c1ccc3c(c1)CC[C@H]3O)C2 2184740263 RDLYIVYCWIJLFD-ZKVCVTAXSA-N 275.348 0.987 10 10 CCCE NC1CC(F)(CNC(=O)c2cc(O)nc(O)c2)C1 2043083182 XGHUVIYOTREOHK-UHFFFAOYSA-N 255.249 0.052 10 10 CCCE CN(C[C@@]1(O)CCOC1)C(=O)COc1ccc(N)cc1 2185959043 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COc1cccc(O)c1CN[C@H](C)C1CS(=O)(=O)C1 2104433660 JVUFNCZDVBDNRU-SECBINFHSA-N 285.365 0.924 10 10 CCCE CCN1CCc2cc([C@]3(O)CNCCOC3)ccc21 2106790481 INTJLZCBQFNJCQ-HNNXBMFYSA-N 262.353 0.876 10 10 CCCE Nc1ccc(CN2C[C@]3(CO)CC[C@@]3(CO)C2)cc1 2089498847 NYPYUUDQTAOPOM-GJZGRUSLSA-N 262.353 0.836 10 10 CCCE C[C@@H](NCCN1CCNC1=O)c1c(O)cccc1O 2090617514 TWOBSMUGLPFWTM-SECBINFHSA-N 265.313 0.774 10 10 CCCE CN1CC2(C1)CN(c1ccc3c(c1)NC(=O)[C@@H]3O)C2 2095930433 FDOKBWSMAGMRBD-GFCCVEGCSA-N 259.309 0.424 10 10 CCCE NC[C@]12CC[C@H]1CN(S(=O)(=O)Cc1ccc(N)cc1)C2 2201361702 GLRIXZFBDOAGTB-JSGCOSHPSA-N 295.408 0.769 10 10 CCCE CN(Cc1cc(F)cc(F)c1O)[C@@H]1CC(=O)NC1=O 2114732711 OYVBHFINCYBOMJ-SECBINFHSA-N 270.235 0.517 10 10 CCCE Cc1ccc(O)c(CN2CC[C@H](O)[C@H](O)[C@H]2C(=O)O)c1 2201091657 PLQFEJLTHCUYPV-AVGNSLFASA-N 281.308 0.081 10 10 CCCE COc1cc(N2CCN3CCOC[C@H]3C2)ccc1CO 2204536767 PBCDNQMUUQIYRV-CQSZACIVSA-N 278.352 0.708 10 10 CCCE Cn1[nH]c(C2CC2)nc1=NC(=O)c1cccc(O)c1O 2205715839 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Nc1ccc(NC(=O)NC[C@H]2C[C@@H](N)[C@H](O)C2)cc1 2332125907 ATJJESNOJAFTIW-XXILOJSOSA-N 264.329 0.489 10 10 CCCE Cc1cc(N2C[C@@H](O)[C@@H](O)[C@@H]2CF)ccc1[C@@H](C)N 2334467794 BUNFFGMYYDJJNS-PCDDKUFXSA-N 268.332 0.895 10 10 CCCE OCC(CO)NCc1cc(OC(F)(F)F)ccc1O 2335917467 BHCRLXMVBGYUBE-UHFFFAOYSA-N 281.230 0.734 10 10 CCCE Nc1ccc(CCN2C(=O)[C@@H]3COC[C@H]3C2=O)cc1 2338358237 AHHXIZVAFXMSFR-VXGBXAGGSA-N 260.293 0.443 10 10 CCCE CNCCS(=O)(=O)N1CCc2cc(O)c(O)cc2C1 2341196649 HGRUSYXDUSHJGL-UHFFFAOYSA-N 286.353 0.005 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N3CC[C@@H]4C[C@]4(O)C3)ccc21 2355180060 XDGIXSVISVNJEY-PKPZWWHKSA-N 273.336 0.860 10 10 CCCE CCNCc1cc(F)c(N(C)CC(N)=O)c(F)c1 62710522 GPTFPSRSPQGDHN-UHFFFAOYSA-N 257.284 0.996 10 10 CCCE CCOC(=O)N(CCN)C(=O)Nc1cc(O)c(O)c(O)c1 217279012 DIJDCKYMYBXFDE-UHFFFAOYSA-N 299.283 0.753 10 10 CCCE O=C(O)Cn1nnnc1Sc1ncc([N+](=O)[O-])s1 33963387 VOXCHSKRQDHZHP-UHFFFAOYSA-N 288.270 0.274 10 10 CCCE CC[C@@H]1SC(=S)N([C@H](CC(=O)O)C(=O)O)C1=O 72412552 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10 CCCE COCCS(=O)(=O)CCNCc1ccc(F)cc1O 2139806154 GYSHDGBCXHSKKE-UHFFFAOYSA-N 291.344 0.682 10 10 CCCE CC1(C)CN(C(=O)c2ccc(O)c(O)c2)C[C@H](CO)O1 232807095 MAYYUIGPGBCARO-SNVBAGLBSA-N 281.308 0.710 10 10 CCCE C[C@H](O)[C@@H]1CN(C(=O)c2cccc(O)c2O)CCO1 1161587443 PQWHMBGXGJAKTI-KWQFWETISA-N 267.281 0.320 10 10 CCCE COCC(O)(CNCc1c(O)cccc1OC)COC 1875694519 YYZVJMUVEBRNJS-UHFFFAOYSA-N 285.340 0.514 10 10 CCCE CC[C@@H](CN)NS(=O)(=O)CCOc1ccc(N)cc1 1876404556 YHZWCVIEWSCFQX-NSHDSACASA-N 287.385 0.304 10 10 CCCE NC[C@H]1CCCCN1C(=O)COc1ccc(N)cc1 1876451436 OCIMNBBCVFYVER-GFCCVEGCSA-N 263.341 0.987 10 10 CCCE N[C@H]1CCO[C@@H](CC(=O)NCc2ccccc2O)C1 1966878506 PLHQZTUIDPSGRV-NWDGAFQWSA-N 264.325 0.905 10 10 CCCE NCc1ccc(N2C[C@H](CO)[C@@H](CCO)C2)c(F)c1F 2149901067 PXYYACMAJUTCJQ-WDEREUQCSA-N 286.322 0.851 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CC[C@H]2CNC[C@@H]21 1972327299 TYARIRTXBNWUSW-SDDRHHMPSA-N 276.336 0.755 10 10 CCCE CN(CC(=O)Nc1ccc(N)cc1)CC(=O)N(C)C 37269932 JECGITOBJPYXFI-UHFFFAOYSA-N 264.329 0.227 10 10 CCCE C[C@H](CS(N)(=O)=O)NCc1ccc2c(c1)CCCN2C 2152961628 RCTAKTWRHUZNTJ-LLVKDONJSA-N 297.424 0.836 10 10 CCCE COC(=O)[C@](O)(CNCc1ccccc1O)C(F)(F)F 2155556535 QXBIJCASHNLYIA-LLVKDONJSA-N 293.241 0.948 10 10 CCCE CS(=O)(=O)[C@@H]1COC[C@H]1Nc1ccc(N)cc1 2026337559 HMDKQJFZAOKRAB-GHMZBOCLSA-N 256.327 0.493 10 10 CCCE C[C@H](O)c1ccc(N2C[C@H](CO)C[C@@H]2CO)cc1 2029385386 QBMWXAYIFKZSGS-MISXGVKJSA-N 251.326 0.919 10 10 CCCE CO[C@]1(CO)CCN(c2ccc3c(c2)NC(=O)[C@H]3N)C1 402939033 WSYORBSNNYMYTK-GXTWGEPZSA-N 277.324 0.226 10 10 CCCE CO[C@@H]1CN(C(=O)c2ccc(O)c(O)c2)[C@@H]2COC[C@H]12 2158352532 HJNJRRLIESOFIS-OPQQBVKSSA-N 279.292 0.584 10 10 CCCE Cc1cc(CN)ccc1N1CCC(O)(CO)CC1 313743303 ORVVUKPLFULSHL-UHFFFAOYSA-N 250.342 0.777 10 10 CCCE COC[C@]1(C(=O)O)CN(Cc2ccccc2O)CCO1 711544999 GSDODJOPPOVROH-AWEZNQCLSA-N 281.308 0.694 10 10 CCCE CN(CC(=O)Nc1ccc(N)cc1)Cc1nncn1C 380636522 VIEVFFOTIFDFNC-UHFFFAOYSA-N 274.328 0.468 10 10 CCCE C[C@@H]1[C@H](CO)CCN1C(=O)c1cc(O)nc(O)c1 385865879 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COc1ccc(N2CCOC[C@@H]2C(N)=O)c(C(=O)O)c1 2235951772 ZRMRGHLTLFJCSP-LLVKDONJSA-N 280.280 0.084 10 10 CCCE Cc1cc(CO)ccc1N1CC[C@H](O)[C@H](O)CC1 2256957760 FGGPZRDHLZCLRR-OKILXGFUSA-N 251.326 0.809 10 10 CCCE C[C@@H](N)c1ccc(N2CC(O)(CCO)C2)cc1O 2258292846 YPVPGBPKBDFCAU-SECBINFHSA-N 252.314 0.345 10 10 CCCE CCOC(=O)[C@]1(NCCN=[N+]=[N-])COC2(COC2)C1 2270760922 CUXHKPMLOVXGMN-LLVKDONJSA-N 270.289 0.378 10 10 CCCE Cc1cc(N2C[C@@H]3C(=O)NC(=O)[C@H]3C2)ccc1[C@H](C)O 2285177500 SKEMMERNLGVOOJ-XDTLVQLUSA-N 274.320 0.757 10 10 CCCE Cc1cc(N2CCN(CC(N)=O)CC2)ccc1[C@H](C)N 2285134583 XWBOWYFSLVVTLB-LBPRGKRZSA-N 276.384 0.622 10 10 CCCE C[C@H](C(=O)Nc1ccc(N)cc1)N1CC[C@H]1[C@@H](O)CO 2286205722 GLDNYTSZOXHBMJ-ICCXJUOJSA-N 279.340 0.023 10 10 CCCE COc1cccc(CN2C[C@@H](C)OC3(CNC3)C2)c1O 2288588577 AVPLXMQBQAUATR-LLVKDONJSA-N 278.352 0.964 10 10 CCCE CCN(CCN=[N+]=[N-])S(=O)(=O)NC(=O)OC(C)C 2315987483 UJKZGHFRLDWTII-UHFFFAOYSA-N 279.322 0.998 10 10 CCCE NCc1ccc(N2[C@H]3CC[C@@H]2C[C@H](O)[C@H]3O)cc1F 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CCCE [N-]=[N+]=NCCCNC1(C(N)=O)[C@H]2CC3C[C@H]1CN(C3)C2 2164427635 GGAHKEDGKQAASZ-ZRZGDYATSA-N 278.360 0.472 10 10 CCCE COCCN(CCO)c1ccc(OC)cc1CO 2220425883 CGMBTAQRKQUAIS-UHFFFAOYSA-N 255.314 0.633 10 10 CCCE COc1cccc(CN2CCO[C@@H]([C@H](C)O)C2)c1O 840978437 RIQVUNBFDQIJOU-GXFFZTMASA-N 267.325 0.982 10 10 CCCE COC(=O)[C@H]1C[C@]1(N)c1ccc(O)c(CN(C)C)c1 1952950296 HZOMOIMBACCPKE-RISCZKNCSA-N 264.325 0.801 10 10 CCCE COc1ccc(N(C)C[C@H](NC(C)C)C(N)=O)cc1 49972128 SXQXZNAEBIAOEW-ZDUSSCGKSA-N 265.357 0.983 10 10 CCCE NC(=O)[C@@H]1CCCN1CC(=O)c1ccc(O)c(O)c1 50133188 LDZXKVOTQYXIMY-VIFPVBQESA-N 264.281 0.230 10 10 CCCE CN(Cc1ccc(N(C)C)cc1)C(=O)c1n[nH]c(N)n1 55167120 HLHRXYDEAXYISU-UHFFFAOYSA-N 274.328 0.725 10 10 CCCE O=S(=O)(NCc1ccccc1O)[C@H]1CCCNC1 722215227 WIUWRWCFAUOZIC-NSHDSACASA-N 270.354 0.564 10 10 CCCE C[C@H]1C(=O)NC(=O)CN1C(=O)CCc1ccc(N)cc1 97289833 JUJDXKXGHYLWTA-VIFPVBQESA-N 275.308 0.075 10 10 CCCE NC[C@@H]1CCn2c(nnc2-c2cccc(O)c2O)C1 97882747 QRVZLCWPKFBEFL-MRVPVSSYSA-N 260.297 0.877 10 10 CCCE Nc1ccc(NC(=O)CN2CC[C@@H]3[C@@H](O)C[C@H]32)cc1 2121674120 VIQVTXWBPQRFPM-XQQFMLRXSA-N 261.325 0.662 10 10 CCCE CC(=O)N1CCC[C@@H](C(=O)NCc2c(O)cccc2O)C1 1178905715 RMLGCCWYHKICDF-LLVKDONJSA-N 292.335 0.973 10 10 CCCE CN(Cc1cnn(C)n1)C(=O)Cc1ccc(N)cc1 2115802378 KMYMQBHXKXXBFM-UHFFFAOYSA-N 259.313 0.598 10 10 CCCE CC1(C)[C@@H](O)[C@@H](O)CN1C(=O)Nc1ccc(N)cc1 2124804864 SMQCJTOKSRNDQI-QWRGUYRKSA-N 265.313 0.617 10 10 CCCE O=C(c1cccc(O)c1O)N1C[C@@H]2CC[C@@]2(CO)C1 1901746128 GOXKNMDJGGSJLY-XPTSAGLGSA-N 263.293 0.942 10 10 CCCE NC1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC1 1330568515 VOEREGXIERCPQD-UHFFFAOYSA-N 289.335 0.184 10 10 CCCE CC(C)(CC(N)=O)NC(=O)c1cc(O)c(O)c(O)c1 2132351527 XXXQBFZCBPFWKH-UHFFFAOYSA-N 268.269 0.187 10 10 CCCE C[C@@H]1COC[C@H]1N(C)C(=O)c1cc(O)c(O)c(O)c1 2132351740 ZPHZCROCBDNIBM-VXNVDRBHSA-N 267.281 0.910 10 10 CCCE C[C@H]1C[C@H](O)CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2132348265 HQZKLCLNWTUBHX-CBAPKCEASA-N 267.281 0.646 10 10 CCCE [N-]=[N+]=NC1CCN(CCN2C(=O)CNC2=O)CC1 1912154803 IWBIOMPRUKUTPQ-UHFFFAOYSA-N 252.278 0.313 10 10 CCCE COc1ccc(N2[C@H](CO)CNC[C@H]2C)cc1OC 217179419 GVHQLZAATAABSZ-PWSUYJOCSA-N 266.341 0.863 10 10 CCCE CN(CC1(CO)CC1)c1ccc2c(c1)NC(=O)[C@H]2N 1915532639 UWXVKTCLOXROLD-LBPRGKRZSA-N 261.325 0.847 10 10 CCCE O=C(C[C@@H]1CCCS1(=O)=O)NCc1cccc(O)c1O 1471642105 KIEFTKIAVKAOLA-JTQLQIEISA-N 299.348 0.681 10 10 CCCE Cn1cc([C@H](O)C(=O)NCCc2ccc(O)c(O)c2)cn1 1545669078 JHBHXPXTUGLZLF-ZDUSSCGKSA-N 291.307 0.224 10 10 CCCE NS(=O)(=O)C[C@@H]1CCN(C(=O)c2cc(O)cs2)C1 1472191434 FKKDWCMZNYXMPC-SSDOTTSWSA-N 290.366 0.204 10 10 CCCE O=C(NCc1c(O)cccc1O)[C@H]1CCCCS1(=O)=O 1597575018 XNBOAWPMBXPRTJ-GFCCVEGCSA-N 299.348 0.681 10 10 CCCE CN(C)c1ccc(CNC(=O)c2cn[nH]c2N)cc1 169820907 NXXJGOXGJPMDKD-UHFFFAOYSA-N 259.313 0.988 10 10 CCCE COc1cc(N2CCS(=O)(=O)[C@H](C)C2)ccc1CN 2139688828 SXRGTDWPDSFLPP-SNVBAGLBSA-N 284.381 0.777 10 10 CCCE Cc1cccc(CNC(=O)c2c[nH]c(=O)cn2)c1O 2139742658 DMHXNVJKPJZWFC-UHFFFAOYSA-N 259.265 0.714 10 10 CCCE Cc1cccc(O)c1CN1CC[C@@H]2OCC(=O)N[C@H]2C1 877577491 FFGLCAPWELAJIC-JSGCOSHPSA-N 276.336 0.790 10 10 CCCE CO[C@@H]1CNCC[C@@H]1Nc1c(N)cccc1C(=O)O 1876475292 KIJVPYUPHSFAEL-WDEREUQCSA-N 265.313 0.756 10 10 CCCE CCN1C(=O)CN(C(=O)Cc2ccc(N)cc2)C1=O 1876424008 YQZQKYLEMZTUEF-UHFFFAOYSA-N 261.281 0.622 10 10 CCCE C[C@H](NC(=O)[C@@H]1OCC[C@H]1CN)c1ccccc1O 1877589684 OBTJNXHWBIMKEY-OUJBWJOFSA-N 264.325 0.933 10 10 CCCE C[C@H](c1ccccc1O)N(C)C(=O)[C@@H]1CNCCN1 1877518272 SDFSFIGETMGBPJ-PWSUYJOCSA-N 263.341 0.473 10 10 CCCE O=C(N[C@H]1CCOC[C@H]1CO)c1cccc(O)c1O 1878694837 BAYQRSNENUCUKF-SCZZXKLOSA-N 267.281 0.225 10 10 CCCE CN(CC(CO)CO)c1ccc(CO)c(Cl)c1 1945268637 DHDVJEABWLQOPG-UHFFFAOYSA-N 259.733 0.869 10 10 CCCE Nc1nc(Sc2nccs2)nc(N2CCOCC2)n1 130399131 HRJUJJKWDDOAQJ-UHFFFAOYSA-N 296.381 0.898 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)[C@@H]1C[C@H]2CC[C@H]1N2 2148002915 FJMMCNFUDJMBEY-IJLUTSLNSA-N 276.336 0.897 10 10 CCCE CN(C)CC[C@@H](NC(=O)c1ccc(O)c(O)c1)C(=O)O 2144809808 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O=C(O)CCCONC(=O)c1cc(O)nc(O)c1 2039444165 IRQGXIUIHPRWQY-UHFFFAOYSA-N 256.214 0.019 10 10 CCCE CN1C(=O)CN[C@H]1c1cc(O)cc(Br)c1O 309568679 NACOVAJLTVKLLW-SNVBAGLBSA-N 287.113 0.921 10 10 CCCE NC(=O)CN(Cc1ccc(N)cc1)C(=O)[C@@]12CC[C@H]1C2 2157457846 WZZIIUPTECCFHQ-XHDPSFHLSA-N 273.336 0.883 10 10 CCCE CCn1ncnc1[C@H](NN)c1ccc(N(C)C)cc1 312000150 PMGGVSGDPVWXHA-GFCCVEGCSA-N 260.345 0.917 10 10 CCCE COc1cccc(O)c1CN(C)[C@@H]1COC[C@H]1C(=O)O 2160701721 WPWZOBFUUUUMHM-GHMZBOCLSA-N 281.308 0.932 10 10 CCCE CN[C@@H](C)c1ccc(N2CCC(CO)(CO)C2)cc1O 703754597 WLCQNLFNZSXIMR-NSHDSACASA-N 280.368 0.854 10 10 CCCE Cc1cc(N2C[C@@H](CO)[C@@H](CO)C2)ccc1CN 704700493 WUJAZFRREJBORT-BETUJISGSA-N 250.342 0.491 10 10 CCCE CC(C)(CNS(C)(=O)=O)NCc1ccc(O)cc1O 708256596 GRBNEZORZNGZFT-UHFFFAOYSA-N 288.369 0.515 10 10 CCCE COCC(COC)S(=O)(=O)NCc1ccccc1O 688567348 YBDFQFFYTIHLKK-UHFFFAOYSA-N 289.353 0.473 10 10 CCCE CCN1C(=O)CN(CC(=O)Nc2ccc(N)cc2)C1=O 689011856 VWGVEFBQJRHNSP-UHFFFAOYSA-N 276.296 0.491 10 10 CCCE C[C@@H](O)CN(CCO)C(=O)[C@H]1CNc2ccccc2N1 380750009 MOZSLMIHGWLSGY-ZWNOBZJWSA-N 279.340 0.094 10 10 CCCE CO[C@H]1C[C@H](CN)N(C(=O)c2ccc(O)c(O)c2)C1 381783946 YRNLULTWYURWNY-ZJUUUORDSA-N 266.297 0.286 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1C[C@H](CO)[C@H]2C[C@@H]21 2166910673 YCBWDNFFAKWKIH-WISYIIOYSA-N 277.320 0.773 10 10 CCCE COc1cc(C(=O)N[C@@H]2CNC[C@H](C)C2)cc(OC)n1 2166943236 USROCIMFRZZKNF-KOLCDFICSA-N 279.340 0.827 10 10 CCCE CO[C@H](C)CC(=O)N(CC(N)=O)Cc1ccc(N)cc1 2179886169 TULJMCRMYWANPZ-SNVBAGLBSA-N 279.340 0.508 10 10 CCCE COC(=O)[C@H](NC=O)[C@@](C)(O)c1ccc(N(C)C)cc1 2178351546 GSJMAIATBRDBAZ-JSGCOSHPSA-N 280.324 0.248 10 10 CCCE NC[C@@H](C[C@@H]1CCOC1)NC(=O)c1cccc(O)c1O 2195499815 JOEHZQHGQWVDKV-VHSXEESVSA-N 280.324 0.582 10 10 CCCE CO[C@@H]1C[C@H](O)CN(c2ccc(CO)c([N+](=O)[O-])c2)C1 2188574396 AKDNGLXRMOBSQH-NWDGAFQWSA-N 282.296 0.673 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1[C@H]2CCNC[C@H]1CC2 2188924020 OXNJDCKABNWJMK-NXEZZACHSA-N 278.308 0.770 10 10 CCCE 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[N-]=[N+]=N[C@H]1CCN(Cc2cc(=O)n3[nH]cnc3n2)C1 1912160354 VBIOTLDMPVYBFX-ZETCQYMHSA-N 260.261 0.302 10 10 CCCE CN1[C@H](CN2CC[C@H](N=[N+]=[N-])C2)CCS1(=O)=O 1912196625 MGVAYJLDEVYCGD-IUCAKERBSA-N 259.335 0.405 10 10 CCCE Cn1ncc(S(=O)(=O)N2CC[C@@H](CN=[N+]=[N-])C2)n1 1912177728 HBBWBSBFUCUXQJ-ZETCQYMHSA-N 271.306 0.136 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)N2)C1 1912160640 YWIUMGDSBYQXNT-DTWKUNHWSA-N 251.290 0.814 10 10 CCCE C[C@@H]1C[C@](NCCN=[N+]=[N-])(C(=O)O)CCS1(=O)=O 1912188750 QUKBCAKZTCQDRJ-APPZFPTMSA-N 276.318 0.307 10 10 CCCE CCn1cc(S(=O)(=O)N2CCC[C@@H]2CN=[N+]=[N-])nn1 1912205897 QNODVTOVCCIODQ-MRVPVSSYSA-N 285.333 0.761 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NCC(=O)NC1CC1 1463734414 ULZWTXLPXCFJCH-UHFFFAOYSA-N 264.281 0.035 10 10 CCCE COC(=O)C1CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1 1866303138 NOJSEIOETQTEEM-UHFFFAOYSA-N 295.291 0.829 10 10 CCCE OC[C@@H]1C[C@@H](O)CCN1c1ccc2c(c1)CC[C@@H]2O 2136082047 OGHUTHKRBVTTTP-YDHLFZDLSA-N 263.337 0.988 10 10 CCCE 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C[C@@H](NC(=O)c1cccc(O)c1O)C(=O)NC1CC1 126531577 SXCKGBMRLLFEPZ-SSDOTTSWSA-N 264.281 0.495 10 10 CCCE COc1cccc(O)c1CNC[C@H]1COCCN1C 858276237 LKJJYVRQBSVSHA-NSHDSACASA-N 266.341 0.821 10 10 CCCE CN(C)c1ccc(CN2CCOC3(CNC3)C2)cc1 853250315 VUKHXISETYSYCT-UHFFFAOYSA-N 261.369 0.927 10 10 CCCE CC1(C)[C@@H](O)C[C@@H]1NS(=O)(=O)Cc1ccc(N)cc1 127711969 GNCXKRWVJHDFOQ-RYUDHWBXSA-N 284.381 0.848 10 10 CCCE NC[C@H]1CCN(C(=O)CCOc2ccc(N)cc2)C1 1876448893 JGAMERUXCNKZPK-LLVKDONJSA-N 263.341 0.845 10 10 CCCE CON(C(=O)COc1ccc(N)cc1)[C@H]1CCNC1 1876483518 PZLLFBADPOOVMG-NSHDSACASA-N 265.313 0.400 10 10 CCCE Nc1ccc(OCCC(=O)NC[C@H]2CCCN2)cc1 1876437210 FASMYAQQQGWIBP-GFCCVEGCSA-N 263.341 0.906 10 10 CCCE Nc1ccc(CCC(=O)NCC2(O)CC(N)C2)cc1 1876482461 JZEAPSWQJMQYPG-UHFFFAOYSA-N 263.341 0.170 10 10 CCCE C[C@H]1N2CCC(CC2)[C@@]1(NCCCN=[N+]=[N-])C(N)=O 1877843517 OBZLQELONZLKLA-BXKDBHETSA-N 266.349 0.615 10 10 CCCE Cn1ccc(C(=O)NCc2cc(N)ccc2O)cc1=O 236113528 DVMHALGQAIVQKB-UHFFFAOYSA-N 273.292 0.603 10 10 CCCE C[C@H](N)c1cc(F)c(N2C[C@@H](O)C[C@@H]2CO)c(F)c1 1880924588 SQIFSXPYZZCUHZ-SFGNSQDASA-N 272.295 0.916 10 10 CCCE COc1cccc(CNC[C@@H]2CCN(C)C2=O)c1O 1967744536 ZMVZONUQRSOFNN-NSHDSACASA-N 264.325 0.969 10 10 CCCE NC[C@H]1C[C@@H]1CNC(=O)Cc1ccc(O)c(O)c1 1973710444 LDMLPQWQFNBVPZ-NXEZZACHSA-N 250.298 0.351 10 10 CCCE NC[C@@H]1C[C@@H](C(=O)NCCc2ccc(O)c(O)c2)CO1 2148016972 SOZYOWKNMKEQPW-MNOVXSKESA-N 280.324 0.120 10 10 CCCE CCNC(=O)[C@@H](C)NS(=O)(=O)Cc1ccc(N)cc1 36129001 KYAOQHZKLNOIRX-SECBINFHSA-N 285.369 0.213 10 10 CCCE CCO[C@H]1CN(C(=O)c2ccc(O)c(O)c2)CC[C@@H]1N 2146767004 DLKWUUUDDXMYPT-GWCFXTLKSA-N 280.324 0.676 10 10 CCCE NCc1ccc(N2CC[C@@H](N3CCCS3(=O)=O)C2)cc1 2146927317 UIGYUEXIULCOHS-CQSZACIVSA-N 295.408 0.760 10 10 CCCE [N-]=[N+]=NCCNC1(C(N)=O)C[C@@H]2CSC[C@H]2C1 1998115324 MGHKLIGGSIXULT-HTQZYQBOSA-N 255.347 0.883 10 10 CCCE Nc1ccc(CCNc2ccc(S(N)(=O)=O)cn2)cc1 40675784 XGOAPVATEOFLAF-UHFFFAOYSA-N 292.364 0.966 10 10 CCCE C[C@H](NC(N)=O)C(=O)N1CCC[C@H](N=[N+]=[N-])CC1 2038001713 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C[C@@]1(C(=O)NCCc2ccc(O)c(O)c2)COCCN1 2201214404 SRJKVISTZYFZMB-AWEZNQCLSA-N 280.324 0.135 10 10 CCCE CO[C@@H]1CCN(CCNCc2ccc(O)c(O)c2)C1 2267900345 OIPUQHNLJSZNKZ-GFCCVEGCSA-N 266.341 0.908 10 10 CCCE O=C(c1cccc(O)c1O)N1[C@H]2CCNC[C@H]1COC2 2204521969 LVPGPNNFEZDYAN-UWVGGRQHSA-N 278.308 0.301 10 10 CCCE CN1CCC(NCc2ccc(F)cc2O)(C(N)=O)CC1 2204733237 IPONYXJHOCEQML-UHFFFAOYSA-N 281.331 0.571 10 10 CCCE CSc1ncc(CNC(=O)[C@@]23CNC[C@@H]2CCO3)s1 2269194270 APFMBSIVVBPRKD-QPUJVOFHSA-N 299.421 0.860 10 10 CCCE [N-]=[N+]=N[C@H]1CCC[C@@H]1NC(=O)CCn1cnnn1 2218747243 UHHGVMZCPAFBJH-YUMQZZPRSA-N 250.266 0.411 10 10 CCCE CC(C)(CCOc1nnc(=N)[nH]n1)NC(=O)OC(C)(C)C 2209555724 JBYMPMUBKHFNMZ-UHFFFAOYSA-N 298.347 0.751 10 10 CCCE Nc1ccc(OCCC(=O)N[C@]23CNC[C@@H]2C3)cc1 2230700492 PRDDWABGORPMEJ-IINYFYTJSA-N 261.325 0.516 10 10 CCCE C[C@]1(O)C[C@H]2[C@@H]1CCN2C(=O)c1cc(O)c(O)c(O)c1 2233823233 BYJLFDIBKCRXLJ-FZNYLWTLSA-N 279.292 0.789 10 10 CCCE Cc1cc([C@@H](C)O)ccc1N1C[C@@H](CO)[C@@H](O)C1 2223974523 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10 10 CCCE NC(=O)[C@]1(O)CCN(c2ccc(OCF)cc2)C1 2263934476 MUXQVKOMYVBMOB-LBPRGKRZSA-N 254.261 0.419 10 10 CCCE C[C@H](NC(=O)[C@@H](N)[C@H](O)C(F)(F)F)c1ccccc1O 2280108082 YUCBWMMUWADQOF-JUWDTYFHSA-N 292.257 0.820 10 10 CCCE COc1cc(C)c(N2CCOC[C@]2(CN)CO)c(C)c1 2285053754 NOUZKYHNCCIIJO-HNNXBMFYSA-N 280.368 0.838 10 10 CCCE COc1cc(C)c(N2CC[C@@](O)(CO)[C@@H](O)C2)c(C)c1 2285055287 BAVKDVWREITSCM-DZGCQCFKSA-N 281.352 0.606 10 10 CCCE Nc1ccc(CN2C[C@H]3CS(=O)(=O)[C@@H]3C2)cc1 2299793896 AGOVGVWDDDEKNT-CMPLNLGQSA-N 252.339 0.498 10 10 CCCE C[C@@](NCCN=[N+]=[N-])(C(N)=O)[C@@H]1C[C@@H]2CCO[C@H]12 2311939978 ZWQPUGLCXKYFGF-DKIAZLNASA-N 253.306 0.555 10 10 CCCE CCO[C@@H]1CN(C(=O)Cc2ccc(N)cc2)C[C@H]1CN 846693451 HFMUBVJQCCZRLI-TZMCWYRMSA-N 277.368 0.634 10 10 CCCE CCOC(=O)[C@@H]1CNC[C@H]1c1cccc(O)c1O 1951593397 UVDDNWWKZRSKOS-VHSXEESVSA-N 251.282 0.964 10 10 CCCE NC(=O)CN(Cc1ccc(N)cc1)C(=O)c1ccccn1 35366579 LZRVRERWFIWYNJ-UHFFFAOYSA-N 284.319 0.792 10 10 CCCE CC(C)(C)NC(=O)CN(CC(N)=O)Cc1ccc(N)cc1 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CN1CCCc2cc(CNC(=O)[C@@H](O)C(C)(C)O)ccc21 900433817 REUXORWZBXWJAY-CQSZACIVSA-N 292.379 0.817 10 10 CCCE COc1ccc(CNC(=O)[C@@]2(C)C[C@@H](O)CN2C)c(O)c1 907925508 HYDXESIZSSRVEJ-IAQYHMDHSA-N 294.351 0.472 10 10 CCCE C[C@]1(O)CCN(C(=O)c2cccc(O)c2O)C[C@@H]1O 1893299426 FLCDPMLUCHVEGX-GWCFXTLKSA-N 267.281 0.056 10 10 CCCE CN(C(=O)/C=C\c1ccc(O)c(O)c1)C1CS(=O)(=O)C1 913139523 LVBHIMWJJSXBSB-HYXAFXHYSA-N 297.332 0.366 10 10 CCCE COC(=O)[C@H](NC(=O)c1cc(O)cs1)c1ccnn1C 844150670 ILNOJXWGWUPHGS-SNVBAGLBSA-N 295.320 0.831 10 10 CCCE COc1ccc([C@H](C)N[C@@H](C)[C@H](O)CO)c(O)c1 699003485 FDJFTPDVQVNPGB-MWODSPESSA-N 255.314 0.793 10 10 CCCE NCCN1CCN(c2ccc3c(c2)OCCCO3)CC1 98135839 JGENVORJKGZVSE-UHFFFAOYSA-N 277.368 0.929 10 10 CCCE N[C@H](c1nnc(CC(=O)O)o1)c1cccc(F)c1O 83494044 NEYPNQACULCSLI-VIFPVBQESA-N 267.216 0.590 10 10 CCCE COc1ccc(O)c([C@H](N)C(=O)NCCN(C)C)c1 83495182 WSLAUTZUNAPRHQ-LBPRGKRZSA-N 267.329 0.078 10 10 CCCE N[C@H](c1ccc(O)c(O)c1)c1nnc(C2CC(=O)C2)o1 83542771 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C[C@@H]1CC[C@H](C(=O)NCCc2ccc(O)c(O)c2)N1 2119508258 JFZQUCHNJFBOSN-MWLCHTKSSA-N 264.325 0.897 10 10 CCCE CC1(C)[C@@H](O)[C@@H](O)CN1c1c(F)cc(CN)cc1F 2124801977 JYJKRMXQGUPCAB-JQWIXIFHSA-N 272.295 0.744 10 10 CCCE COC[C@@H]1C=CCN1S(=O)(=O)Cc1ccc(N)cc1 2125946027 CJWBAZITEIZQFI-ZDUSSCGKSA-N 282.365 0.985 10 10 CCCE CC1(C)[C@H](O)[C@H](O)CN1c1ccc2c(c1)CC[C@@H]2O 2128316567 HHNTYAPYNLYSPV-BFHYXJOUSA-N 263.337 0.987 10 10 CCCE N[C@H]1CC(C(=O)N2CCCc3ccncc32)=C[C@H]1O 2131476176 QXBLARMSLMTLLJ-WCQYABFASA-N 259.309 0.379 10 10 CCCE COc1cccc(CNCCc2nncn2C)c1O 104051852 KDVPJYHQXKNNGK-UHFFFAOYSA-N 262.313 0.862 10 10 CCCE CCOC(=O)[C@]1(NCCN=[N+]=[N-])CCO[C@]12CCOC2 1912187801 JZUKAODHXBJJNJ-NWDGAFQWSA-N 284.316 0.768 10 10 CCCE CN(CCCN=[N+]=[N-])C(=O)C1CCS(=O)(=O)CC1 1912158025 UKMLOWCOFGXMBO-UHFFFAOYSA-N 274.346 0.970 10 10 CCCE Nc1cc2c(cc1N1CC[C@]13CCOC3)NC(=O)CO2 1915832755 XJKFLDUCFQRJPU-CQSZACIVSA-N 275.308 0.969 10 10 CCCE C[C@@H]1CN[C@H](C)CN(C(=O)c2cc(O)nc(O)c2)C1 1921445323 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C[C@H](NC(=O)C[C@H]1COC[C@@H]1N)c1ccccc1O 1877586902 CYLZOOPCNHHUDQ-NHCYSSNCSA-N 264.325 0.933 10 10 CCCE Cc1nn(C)c(NC(=O)c2ccc(O)c(O)c2)c1N 235966128 VOCGABPZEPLVDR-UHFFFAOYSA-N 262.269 0.974 10 10 CCCE CC1(C)[C@@H](O)C[C@@]1(CO)NCc1cccc(O)c1O 1879566008 KVQDVHIFYVRHJK-FZMZJTMJSA-N 267.325 0.709 10 10 CCCE C[C@H]1NC(=O)CCN(Cc2ccc(N(C)C)cc2)C1=O 1968438080 CQNHPKSQYGXUAO-LLVKDONJSA-N 275.352 0.990 10 10 CCCE CNC(=O)[C@@H](C)OC(=O)CCOc1ccc(N)cc1 41100831 ANMHBPPADVXIDR-SECBINFHSA-N 266.297 0.715 10 10 CCCE C[C@@H]1CCNC(=O)[C@@H]1CNC(=O)c1cccc(O)c1O 1972509716 VCZXLHBSJNGQIX-PSASIEDQSA-N 278.308 0.600 10 10 CCCE Nc1ccc(CC(=O)N[C@@H]2C[C@H]3C[C@H]2[C@H](O)[C@H]3O)cc1 1974157771 ONUVGCGTFFKMAK-SLTBLMCHSA-N 276.336 0.058 10 10 CCCE C[C@]1(CCO)CN(Cc2ccccc2O)C(=O)CO1 257936521 KMGNKKMAYCRCHO-AWEZNQCLSA-N 265.309 0.892 10 10 CCCE CS(=O)(=O)COC(=O)CCc1ccc(N)cc1 1999962735 DTOFEEWJGVJEIL-UHFFFAOYSA-N 257.311 0.747 10 10 CCCE O=C1Nc2cc(N3CCOC[C@H](CO)C3)ccc2[C@H]1O 2154501253 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O=C(N[C@H]1CO[C@]2(CCOC2)C1)c1cccc(O)c1O 2178989374 MUWKPINPSUXGPV-YMTOWFKASA-N 279.292 0.776 10 10 CCCE CO[C@@H]1CC(=O)N(CC(=O)N(C)c2ccc(N)cc2)C1 2168570603 IZZOFMBDMSECQP-GFCCVEGCSA-N 277.324 0.479 10 10 CCCE O=c1cc(O)n(Cc2ccc([N+](=O)[O-])cc2O)[nH]1 2070217241 HNLUDTGQIMEVSZ-UHFFFAOYSA-N 251.198 0.544 10 10 CCCE CN[C@@H](C)c1ccc(N2CC3(CNS(=O)(=O)C3)C2)cc1 2176156735 DCXCIZJPMIXKJX-NSHDSACASA-N 295.408 0.706 10 10 CCCE CCS(=O)(=O)CCN(C)c1ccc2c(c1)NC(=O)[C@@H]2O 2170464532 NGRJPKCGUBMXDR-GFCCVEGCSA-N 298.364 0.543 10 10 CCCE CCN(C(=O)Nc1ccc(N)cc1)[C@H]1CC(=O)NC1=O 2171205553 QZIHLYRBCMWSHS-JTQLQIEISA-N 276.296 0.538 10 10 CCCE Cc1cccc(CNS(=O)(=O)c2cnc[nH]2)c1O 1187786624 FRWNGJGTACAMLM-UHFFFAOYSA-N 267.310 0.902 10 10 CCCE Nc1ccc(OCC(=O)NC[C@@]2(CO)CCCO2)cc1 2194010547 BTCRPIROPHMUSK-CQSZACIVSA-N 280.324 0.305 10 10 CCCE Nc1ccc(CC(=O)N2C[C@H](CO)OCC23CC3)cc1 2183971469 JPRIGNZISDRZHD-CYBMUJFWSA-N 276.336 0.564 10 10 CCCE COc1cccc(O)c1CNC1(C)CS(=O)(=O)C1 2042570552 MAJNXEGNLHLWPD-UHFFFAOYSA-N 271.338 0.678 10 10 CCCE CS(=O)(=O)C1(C(=O)N2CC[C@H](N=[N+]=[N-])C2)CCC1 2047884362 FFHZGUQJYMDPHE-QMMMGPOBSA-N 272.330 0.865 10 10 CCCE NCc1ccc(N2CCC[C@@H]2[C@@H](O)CO)cc1F 2059280786 RZYFIRGOIOZBME-OLZOCXBDSA-N 254.305 0.606 10 10 CCCE C[C@@H](Nc1nn(C)c(=O)n(C)c1=O)c1ccccc1O 2192632926 ZOYPHCBWIJSQIB-MRVPVSSYSA-N 276.296 0.358 10 10 CCCE O=[N+]([O-])c1cc(N2C[C@@H](O)[C@H](F)C2)ccc1CO 2068304609 VTPJSKMEYXCZHT-MWLCHTKSSA-N 256.233 0.606 10 10 CCCE CCCC(=O)CNC(=O)c1cc(O)c(O)c(O)c1 2068621864 RZWGPCVECDEWPR-UHFFFAOYSA-N 253.254 0.902 10 10 CCCE Nc1ccc(OCC(=O)NCC2COCCOC2)cc1 2188056381 WNFVGQGJRCDINR-UHFFFAOYSA-N 280.324 0.427 10 10 CCCE C[C@@H](N)CN(C)c1cc2c(cc1N)OCC(=O)N2 2071605482 MBCPXQRWGRQXNO-SSDOTTSWSA-N 250.302 0.383 10 10 CCCE O=C(O)[C@]1(CO)CCCN1Cc1ccccc1O 2081047680 RWTZYCPLUZQSAI-CYBMUJFWSA-N 251.282 0.804 10 10 CCCE C[S@](=O)(=NC(=O)c1cccc(O)c1O)[C@H]1CCNC1 2102806275 IUXOMEAGYBEITM-WPCRTTGESA-N 284.337 0.698 10 10 CCCE CCN1C[C@H](O)[C@H](NCc2ccc3c(c2)CCO3)C1 2104273108 DDPQSYGCRZNXKU-KGLIPLIRSA-N 262.353 0.776 10 10 CCCE O=C(O)[C@H](NCc1cc(F)cc(F)c1O)C1COC1 2104897702 ZGGZNJSXOQAZII-SNVBAGLBSA-N 273.235 0.860 10 10 CCCE C[C@@H](CNC(=O)Cc1ccc(N)cc1)[C@@H](F)C(=O)O 2105541924 LQZFUYWRCBKBKP-QPUJVOFHSA-N 268.288 0.986 10 10 CCCE CN1CCc2cc([C@H](N)CCn3cnnn3)ccc21 2106852302 DQAODPIJGXBDRC-GFCCVEGCSA-N 258.329 0.756 10 10 CCCE C[C@@H]1CN(Cc2ccc(O)cc2O)[C@H](C(=O)O)CO1 2109525298 NTXGAPMVLNLOGF-KCJUWKMLSA-N 267.281 0.772 10 10 CCCE C[S@@](=O)CC1CN(c2ccc(CO)cc2[N+](=O)[O-])C1 2110337406 SLNZSODNMNARME-LJQANCHMSA-N 284.337 0.902 10 10 CCCE COc1ccc(O)c([C@H](C)N[C@H]2CN(C)C[C@@H]2O)c1 2090334219 OTLSVPKHBVOKDY-WFBYXXMGSA-N 266.341 0.726 10 10 CCCE CS(=O)(=O)[C@@H]1CCC[C@@]1(O)[C@@H](N)c1ccccc1O 2091865233 YILUCGOOPMLGNU-AGIUHOORSA-N 285.365 0.720 10 10 CCCE NC1CC(S(=O)(=O)NCCc2ccc(O)c(O)c2)C1 2094464501 DBHDMRFWIBSVHN-UHFFFAOYSA-N 286.353 0.049 10 10 CCCE CCOc1cccc(CN2CC(CO)(C(=O)O)C2)c1O 2201060445 UIOAHBXFYBJTSI-UHFFFAOYSA-N 281.308 0.670 10 10 CCCE CCc1nc(=NS(=O)(=O)Cc2ccc(N)cc2)n(C)[nH]1 2205719242 RDKAXZHMZXPNPJ-UHFFFAOYSA-N 295.368 0.324 10 10 CCCE CC(C)(COc1nnc(=N)[nH]n1)NCc1ccccc1 2209173616 WAIBKSXQPXFYLM-UHFFFAOYSA-N 274.328 0.626 10 10 CCCE COc1ccc(N2CCOC[C@@H](O)C2)c(CO)c1 2220426157 DCNPEEKHMGLVCG-NSHDSACASA-N 253.298 0.385 10 10 CCCE CO[C@H]1[C@H](CO)N(Cc2cc(N)ccc2O)C[C@H]1OC 2233349880 ATVKFXXSBUSURD-YUTCNCBUSA-N 282.340 0.181 10 10 CCCE CN1CCN(C)[C@H](C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])C1 2225794117 CPAIJTULPXNLQS-VWYCJHECSA-N 266.349 0.580 10 10 CCCE N[C@H]1C[C@H]2C[C@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 2226524352 JEBKUDIBGISHEH-JEZHCXPESA-N 263.297 0.302 10 10 CCCE NCc1ccc(N2C[C@H]3C[C@H](O)[C@H](O)C[C@H]3C2)c(F)c1 2236980448 QOLLHYNPERHADN-AGCIHXOGSA-N 280.343 0.852 10 10 CCCE COc1ccc(N2C[C@@H]3CCO[C@@]3(CO)C2)c(CN)c1 2239800167 GVGKSYALXMPMDR-SWLSCSKDSA-N 278.352 0.742 10 10 CCCE NC(=O)[C@H]1CNCCN1c1ccc(OCF)cc1 2263920496 HXFTZJQIKNLLCP-LLVKDONJSA-N 253.277 0.256 10 10 CCCE CN(C)S(=O)(=O)[C@@H]1CCN(Cc2cc(N)ccc2O)C1 2279246639 WWOZHLOCQPGPKO-GFCCVEGCSA-N 299.396 0.440 10 10 CCCE COc1ccc(N2CC[C@@](O)(CO)[C@H](O)C2)c(C)c1C 2284596899 GMHPDBAMBGYVER-HUUCEWRRSA-N 281.352 0.606 10 10 CCCE CN1CCc2cc(N3CC(O)(C(F)(F)CO)C3)ccc21 2288513018 ITWVNCHAMALCEW-UHFFFAOYSA-N 284.306 0.858 10 10 CCCE CCN1C(=O)NC(=O)C(=CNCc2cccs2)C1=O 2297358618 SDDCJFYBAIGISL-UHFFFAOYSA-N 279.321 0.820 10 10 CCCE COc1ccc(N2CC[C@H]([C@H](N)C(=O)O)C2)cc1OC 107938178 MFKVKUXNRMGHBC-ZANVPECISA-N 280.324 0.942 10 10 CCCE C[C@H]1CN([C@H](C)C(=O)Nc2ccc(N)cc2)C[C@@H]1O 2341496967 PMOONUOMHAFOIG-CWSCBRNRSA-N 263.341 0.908 10 10 CCCE CN1CCN(C[C@@H](O)COc2ccc(N)cc2)[C@@H]2C[C@@H]21 2355082187 VOESYYKJINKWSU-VHDGCEQUSA-N 277.368 0.397 10 10 CCCE COC(=O)[C@H](N)CCc1ccc(O)c(CN(C)C)c1 1951703197 NPAKUBINBUYFIS-GFCCVEGCSA-N 266.341 0.887 10 10 CCCE NC(=O)C1CCN(c2cc3c(cc2N)NC(=O)CC3)CC1 35341169 RDSONRHEFDWTDU-UHFFFAOYSA-N 288.351 0.855 10 10 CCCE COc1cc(C2([C@@](C)(N)C(=O)O)CC2)cc(O)c1O 1952153518 UGOGJCQBQSMIJX-LBPRGKRZSA-N 267.281 0.940 10 10 CCCE N[C@H](CO)c1cc(Br)c(F)c(O)c1O 213346558 IFLKXOPYTYJFID-RXMQYKEDSA-N 266.066 0.992 10 10 CCCE Oc1cccc(CNCCN2CCOCC2)c1O 41116421 WPYLTJZKBKLPHN-UHFFFAOYSA-N 252.314 0.520 10 10 CCCE CCOC(=O)c1cccc(N)c1N[C@@H]1CN(C)C[C@H]1O 2165036544 KVVGZXIWQLRNRG-VXGBXAGGSA-N 279.340 0.532 10 10 CCCE Nc1ccc(OCCS(=O)(=O)N2C[C@@H]3C[C@H]2CO3)cc1 718376200 XRFBVPLMFUTMGJ-AAEUAGOBSA-N 298.364 0.451 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CCN3CCC2CC3)cc1 722770876 FCTAAFIZLYPOGY-UHFFFAOYSA-N 295.408 0.879 10 10 CCCE C[C@@H](N)c1ccc(N(CC(N)=O)CC(N)=O)cc1Cl 723165697 FSPPHOFPCYQALJ-SSDOTTSWSA-N 284.747 0.137 10 10 CCCE COC[C@](C)(CNC(=O)Cc1ccc(N)cc1)OC 1895309286 UVJGYQUPDKGTAG-AWEZNQCLSA-N 266.341 0.979 10 10 CCCE Oc1cc2c(cc1O)[C@@H](N1CCOCC1)CNC2 71491370 QPTQCBANWUCDAB-NSHDSACASA-N 250.298 0.574 10 10 CCCE O=C(O)CN1CCN(Cc2ccccc2O)CC1 86731038 DLAGUGBLUWQTKS-UHFFFAOYSA-N 250.298 0.594 10 10 CCCE Cc1ccc(O)c(CNC(=O)CC[C@H](N)C(=O)O)c1 83483701 LRWXRBBBXHLCTE-JTQLQIEISA-N 266.297 0.509 10 10 CCCE Cn1c(=O)cc(CCN)c2cc3c(cc21)OCCO3 84135636 XRINCTCMVGEMMX-UHFFFAOYSA-N 260.293 0.811 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3CC([C@@H](C)O)C3)ccc21 719786257 ODCCGTOFQKHFGC-OQPBUACISA-N 261.325 0.716 10 10 CCCE Cc1ccnc2nc(C(=O)NCc3cc(O)ccc3O)nn12 1303223153 CHTQDYLWCOMLOZ-UHFFFAOYSA-N 299.290 0.774 10 10 CCCE O=C1Nc2cc(N3CCO[C@@H]4C[C@@H]43)c(F)cc2[C@H]1O 2115219951 MFWBDVSWMRPGIP-QJPTWQEYSA-N 264.256 0.789 10 10 CCCE O=C1Nc2cc(N3CCOC[C@@H]3CF)ccc2[C@@H]1O 2126199472 BKAULGLWHCYYJP-CABZTGNLSA-N 266.272 0.847 10 10 CCCE COc1cccc(O)c1CN1C[C@@H]2NC(=O)O[C@H]2C1 2120414477 BCUAUSCFQGAKRR-CABZTGNLSA-N 264.281 0.693 10 10 CCCE CC1(C)C[C@H](NC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1O 2132350765 QNDZQTGDIKTMGK-CPCISQLKSA-N 267.281 0.693 10 10 CCCE CCN[C@H]1CC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2132408182 UZIXEQGMHZWXAC-DTWKUNHWSA-N 266.297 0.674 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H]2C[C@H]2[C@H]1CO 1905738944 UDSCTANKDYIFLX-DJLDLDEBSA-N 265.265 0.256 10 10 CCCE CN(CCN1CC[C@@H](CN=[N+]=[N-])C1)S(C)(=O)=O 1912180812 GSHCSCZHOWBEHU-VIFPVBQESA-N 261.351 0.510 10 10 CCCE CCOC(=O)[C@@]1(NCCN=[N+]=[N-])CCN(C)[C@@H]1C 1912151969 NNAYAHGNTWNPIY-MWLCHTKSSA-N 255.322 0.912 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN(C[C@@H](O)CN2CCOCC2)C1 1912167424 KQALUOFPNIFNFV-OLZOCXBDSA-N 283.376 0.702 10 10 CCCE CCOc1cccc([C@@H](C(=O)O)N(C)CCO)c1O 211613358 LPPSYLYLVCUVCO-NSHDSACASA-N 269.297 0.841 10 10 CCCE COc1ccc(CN2CC(OC)(C(=O)O)C2)c(O)c1 1917714218 IICORIDOMNJRFV-UHFFFAOYSA-N 267.281 0.686 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NCC1OCCCO1 1467229340 NBOHNWPQOQTRMV-UHFFFAOYSA-N 267.281 0.520 10 10 CCCE NC(=O)C1CCC(NC(=O)Cc2ccc(O)c(O)c2)CC1 1543099915 YOYZKQCNZZHDNW-UHFFFAOYSA-N 292.335 0.801 10 10 CCCE COc1cc(Cl)cc(CN[C@H]2CCC(=O)NC2=O)c1O 229052841 FSSLZEABJIVGHH-VIFPVBQESA-N 298.726 0.949 10 10 CCCE O=C(NCc1cc(O)ccc1O)c1csnn1 1643879339 LHXKYFYRPWTDBH-UHFFFAOYSA-N 251.267 0.879 10 10 CCCE CSc1ncc(CNC(=O)[C@@H](N)CN(C)C)s1 2248608175 HTAMVDLFPHEKQW-QMMMGPOBSA-N 274.415 0.370 10 10 CCCE O=C(CN1CCCC1)NCc1cc(O)ccc1O 1651223215 ZYYSOOZAMVMJGL-UHFFFAOYSA-N 250.298 0.810 10 10 CCCE CC(=O)C(=O)[C@@]1(O)C[C@@H]2[C@H]1CCN2C(=O)OC(C)(C)C 1934194867 OCMIXQWBCXEUBL-GPCCPHFNSA-N 283.324 0.905 10 10 CCCE COC(=O)[C@]1(NCCCN=[N+]=[N-])CCNC[C@H]1C 168946038 UYVWNGIDTKXUBA-KOLCDFICSA-N 255.322 0.818 10 10 CCCE C[C@H]1OCC[C@@H]1N(C)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 159226272 JGUOPJBWRQMLKQ-USWWRNFRSA-N 294.351 0.603 10 10 CCCE CN(CCO)C(=O)CCNCc1cc(Cl)ccc1O 1857865084 VALFXYBZAJXZRN-UHFFFAOYSA-N 286.759 0.976 10 10 CCCE C[C@H]1CCN(C(=O)COc2ccc(N)cc2)C[C@H]1N 1876451755 RPGKOZXWVPLHIX-GXFFZTMASA-N 263.341 0.843 10 10 CCCE C[C@@H](NS(=O)(=O)N1CC(CN)C1)c1ccccc1O 1877596532 WPFFYUXPRSBFKN-SECBINFHSA-N 285.369 0.178 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H]2COCC[C@H]21 1878819216 OPASXBMKGFVJAG-RKDXNWHRSA-N 265.265 0.664 10 10 CCCE CC[C@H]1C(=O)NC(=O)CN1c1ccc(CN)c(F)c1 135229652 XAOCYKJZEVUCRD-NSHDSACASA-N 265.288 0.526 10 10 CCCE O=C1CC[C@@H](NC(=O)Cc2ccc(O)c(O)c2)CN1 1963608383 FGMXHKRBOKEDGF-SECBINFHSA-N 264.281 0.035 10 10 CCCE CN(C)c1ccc(CN2CC[C@H](O)[C@H](CO)C2)cc1 1195213764 HUCYEXJBLBKBBF-ZFWWWQNUSA-N 264.369 0.928 10 10 CCCE CCn1cc(S(=O)(=O)N(C)Cc2ccc(N)cc2)nn1 2144400565 QVRCZMWBQHUCPC-UHFFFAOYSA-N 295.368 0.701 10 10 CCCE CN(C)c1ccc(CNC(=O)[C@@H]2C[C@@H](N)CCO2)cc1 1966785727 GXSIDCAAOUPPIP-JSGCOSHPSA-N 277.368 0.875 10 10 CCCE CN1CCC[C@H]([C@@H](O)CCc2ccc(N)cc2)S1(=O)=O 2145777580 KTIWKCRLQODPKG-UONOGXRCSA-N 298.408 0.986 10 10 CCCE C[C@H](O)[C@@H](CO)NCc1c(O)cccc1Br 1982030963 WHKNHNVECFDWIC-OIBJUYFYSA-N 290.157 0.986 10 10 CCCE O=C1NC[C@@H]2CN(Cc3cccc(F)c3O)CCN12 160246894 YBADYYYXVMZNFF-SNVBAGLBSA-N 265.288 0.741 10 10 CCCE C[C@H]1[C@@H](N)CCN1C(=O)Cc1ccc(O)c(O)c1 2027479211 HPEIDFRSTFELQZ-WPRPVWTQSA-N 250.298 0.588 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCC[C@H]1O 2027483017 QBSWALFJUJYWGZ-VHSXEESVSA-N 251.282 0.670 10 10 CCCE Nc1ccc(OCCN2C[C@H](O)C(F)(F)C2)cc1 2034601860 KUKZHYUPUOMHFP-NSHDSACASA-N 258.268 0.959 10 10 CCCE CN=c1[nH]c(=NCc2ccc(N(C)C)cc2)[nH]cc1N 2160468269 RJCCTVDMLRPMNO-UHFFFAOYSA-N 272.356 0.622 10 10 CCCE CN1C[C@@H]2C[C@H](C1)CN2CC(=O)c1ccc(O)c(O)c1 2160648758 UATGQPUPDITOHA-PWSUYJOCSA-N 276.336 0.916 10 10 CCCE O=C1NC(=O)[C@H]2CN(c3ccc(CO)c(Cl)c3)CC[C@H]12 2158788631 CQIGYRJPNVHOBB-QWRGUYRKSA-N 294.738 0.931 10 10 CCCE CN1C[C@H]2C[C@H]1CN(CC(=O)c1ccc(O)c(O)c1)C2 2160648115 KHCVKPMFECGTIC-PWSUYJOCSA-N 276.336 0.916 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3CCC34CC(CO)C4)ccc21 2160852459 QOYSMSTTWKTKJO-KWCGZIOASA-N 273.336 0.990 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1C[C@@H]2CCC[C@@]2(CO)C1 2159402161 UBYDQSWCTLNWCX-HZMBPMFUSA-N 278.308 0.727 10 10 CCCE Nc1ccc(OCCC(=O)NCCn2cncn2)cc1 381765517 IGGZKBMZQXHJEB-UHFFFAOYSA-N 275.312 0.446 10 10 CCCE O=C(O)[C@@H]1[C@@H]2CCN(C(=O)c3ccc(O)c(O)c3)C[C@H]21 721669476 SLOIKCKBLUECER-KBVBSXBZSA-N 277.276 0.891 10 10 CCCE Cc1cc(O)n2ncc(C(=O)NC3CCOCC3)c2n1 2065108045 FXHNRXCOBZBZFF-UHFFFAOYSA-N 276.296 0.652 10 10 CCCE NCc1ccc(N2CC[C@@]3(C2)NC(=O)NC3=O)c(Cl)c1 2170621181 GVTZVVHKSGEUOQ-ZDUSSCGKSA-N 294.742 0.587 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3CC=C(CO)CC3)cc21 2171003372 ZGDUIMFYWSNXFZ-CQSZACIVSA-N 273.336 0.792 10 10 CCCE C[C@@H]1NCC[C@@H](C)[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2188918644 GUOXFUMFMWNFCG-RGNHYFCHSA-N 280.324 0.920 10 10 CCCE N[C@@H]1CCc2cc(N3C[C@@]4(CO)C[C@]4(CO)C3)ccc21 2184727426 VGLNJVWVIBDWRA-BZUAXINKSA-N 274.364 0.814 10 10 CCCE O=C(CN1C[C@H]2C[C@H](O)C[C@H]2C1)c1ccc(O)c(O)c1 2185130362 QPHIVVAYMGYXIC-GDNZZTSVSA-N 277.320 0.983 10 10 CCCE COC(=O)CC[C@@H](O)CN1CC[C@H](CN=[N+]=[N-])C1 2043784312 FGMBPHAGVHWCFW-NXEZZACHSA-N 256.306 0.933 10 10 CCCE O=C1CO[C@H]2CCN(c3ccc(CO)cc3F)C[C@@H]2N1 2185522212 NZELHZYSCOVIBD-AAEUAGOBSA-N 280.299 0.412 10 10 CCCE Oc1c(F)cc(F)cc1CN[C@@H]1C[C@@H](O)C[C@H]1O 2046482745 NOEFHRMJYFNEHG-FBIMIBRVSA-N 259.252 0.644 10 10 CCCE C[C@H]1C[C@@H]1N(CCO)C(=O)c1ccc(O)c(O)c1 2048245140 POJAAXFCFOOFGM-WPRPVWTQSA-N 251.282 0.941 10 10 CCCE N[C@@H](C(=O)C(=O)C[C@H]1C[C@H](N)C1)C1CC(F)(F)C1 2049785454 AWGKFDBWMNWPNN-GTNGPMTGSA-N 260.284 0.625 10 10 CCCE COCC1(C(=O)NCc2ccccc2O)CNC1 2050022042 SBEACPBEOYYXAW-UHFFFAOYSA-N 250.298 0.244 10 10 CCCE COCCS(=O)(=O)CCN1CCC[C@H]1CN=[N+]=[N-] 2059053412 MMPPOFBJLJDALP-JTQLQIEISA-N 276.362 0.822 10 10 CCCE CN(CCN=[N+]=[N-])C(=O)c1c([N+](=O)[O-])cnn1C 2066471462 HFSOFIRJEQTYBX-UHFFFAOYSA-N 253.222 0.711 10 10 CCCE C[C@H](NC(=O)Cn1cc(CN)nn1)c1ccccc1O 2192622468 NONLARFRGPXHMN-VIFPVBQESA-N 275.312 0.320 10 10 CCCE C[C@H](O)c1ccc(N2CCC2(CO)CO)cc1O 2073913403 BETROANNWIWFLV-VIFPVBQESA-N 253.298 0.379 10 10 CCCE CC(=O)c1ccc(O)c(CN2C[C@@H](O)C[C@@H](O)C2)c1 2105082442 GFJLZXIVDYHUJP-BETUJISGSA-N 265.309 0.522 10 10 CCCE NC[C@@H]1CN(C(=O)c2cccc(O)c2O)CC12CC2 2087794787 JFTLSXKRCAKFFX-SECBINFHSA-N 262.309 0.909 10 10 CCCE Nc1ccc(OCC(=O)N2CC[C@@H](O)[C@H](F)C2)cc1 2088324768 PVQNWHITQRXYPD-VXGBXAGGSA-N 268.288 0.579 10 10 CCCE CN(Cc1cnc[nH]1)S(=O)(=O)Cc1ccc(N)cc1 2089674166 JZQXYOUIEJHPSH-UHFFFAOYSA-N 280.353 0.954 10 10 CCCE COc1cc(C(=O)N[C@H](C)C[C@@H](C)N)cc(OC)n1 2110628309 KLOBNUBYUISHRQ-RKDXNWHRSA-N 267.329 0.954 10 10 CCCE Cc1nc(NC(=O)COc2ccc(N)cc2)nn1C 2090816988 XYWMCRLEQXDDPW-UHFFFAOYSA-N 261.285 0.723 10 10 CCCE N[C@H](C(=O)NCCc1ccc(O)c(O)c1)C(F)(F)F 2091759679 NTNFVSIHMLQUPW-SECBINFHSA-N 278.230 0.646 10 10 CCCE CC1(CNC(=O)Nc2ccc(N)cc2)CS(=O)(=O)C1 2096549477 MBDZCPLXYSVVRT-UHFFFAOYSA-N 283.353 0.825 10 10 CCCE Nc1ccc(CCN2CC(N3CCOCC3)C2)cc1 2113196732 IRBMYYFXVBSHAW-UHFFFAOYSA-N 261.369 0.828 10 10 CCCE [N-]=[N+]=N[C@@H]1CCCN(C[C@@H](O)CN2CCCC2=O)C1 2113451163 AGASPSXGHHTURG-GHMZBOCLSA-N 267.333 0.744 10 10 CCCE COC[C@]1(C(=O)NCc2cccc(C)c2O)CCNC1 2204607356 ABKLLKXWUXMKAN-HNNXBMFYSA-N 278.352 0.943 10 10 CCCE Nc1ccc(CCO[C@H]2CC(CO)(CO)C[C@@H]2O)cc1 2206381523 VPUQFOQKCSGZDH-KBPBESRZSA-N 281.352 0.322 10 10 CCCE CN(C)c1ccc(CN[C@H]2COC[C@H]2S(C)(=O)=O)cc1 2207468139 YWMOCQYNMVWKAE-UONOGXRCSA-N 298.408 0.654 10 10 CCCE Oc1cccc(F)c1CN[C@@H]1CCC[C@@H](O)[C@H]1O 2217644196 YMRXVMJDCCOAQY-RTXFEEFZSA-N 255.289 0.895 10 10 CCCE COc1ccc(N2CCN(C[C@H](CO)OC)CC2)cc1 2208338250 YGDOVVYIZPSHHM-OAHLLOKOSA-N 280.368 0.825 10 10 CCCE O[C@@H]1COCCN(c2ccc3c(c2)OCCO3)C1 2219599935 WTMTUEYCOBPKCJ-NSHDSACASA-N 251.282 0.655 10 10 CCCE COc1ccc(N2CCNCCNCC2)cc1F 2220639594 MACWQXIUNOAMAT-UHFFFAOYSA-N 253.321 0.834 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CC(N2CCOC2=O)C1 2235453098 QDUWLDJTIAIKIA-UHFFFAOYSA-N 278.264 0.374 10 10 CCCE COc1ccc(N2[C@H]3CC[C@H]2[C@@H](O)[C@H](O)C3)c(C=O)c1 2235996593 GFCAOVCZRMYNCW-BSLXNSKLSA-N 277.320 0.971 10 10 CCCE CNCc1cc(F)c(N2CC[C@H]2[C@@H](O)CO)c(F)c1 2270697693 BMLICJYIAWQREL-RYUDHWBXSA-N 272.295 0.616 10 10 CCCE C[C@@H](NC(=O)C1CN(C2CNC2)C1)c1ccccc1O 2284242109 SPUQVIUYTZTMBY-SNVBAGLBSA-N 275.352 0.473 10 10 CCCE COc1cc(C)c(N2CCOC[C@H]2[C@@H](O)CO)c(C)c1 2285067287 DHOTWMOHUANMFS-KBPBESRZSA-N 281.352 0.870 10 10 CCCE CN1C(=O)C(=Cc2cnc3ccccn23)C(=O)N(C)C1=O 119108034 CKPSJJAKLVXDCJ-UHFFFAOYSA-N 284.275 0.768 10 10 CCCE N[C@@H](C(=O)O)[C@@H](O)c1ccc(N2CCCC2)cc1 1951901522 GIINXIPXMYHAQL-NEPJUHHUSA-N 250.298 0.732 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@@H]3C[C@H]2C[C@H](N)C3)cc1 2357173594 IYAZNOBMDDAHOP-YUTCNCBUSA-N 295.408 0.910 10 10 CCCE Cc1ccc(C(=O)N2CCN(CCO)[C@H](C)C2)c(O)c1O 187281437 KFGIJTGZZFQZCP-LLVKDONJSA-N 294.351 0.545 10 10 CCCE CCC[C@@H](N)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 40486856 QXPORJXGQBBLFG-ZJUUUORDSA-N 296.323 0.337 10 10 CCCE O=C(c1cccc(O)c1O)N1C[C@@H]2CCCN[C@H]2C1 221630941 WDRGFXMWRYEDFX-ONGXEEELSA-N 262.309 0.922 10 10 CCCE NS(=O)(=O)c1ccc(N=NN2CCOCC2)cc1 254557176 JPIORAISHMNQFE-UHFFFAOYSA-N 270.314 0.665 10 10 CCCE COC(=O)[C@H](N)Cc1c(Br)ccc(O)c1O 260878321 SBNASICOEFHINX-SSDOTTSWSA-N 290.113 0.903 10 10 CCCE CCCN1CCN(CCOc2ccc(N)cc2)S1(=O)=O 380362146 IQYYZQOJPGUWHK-UHFFFAOYSA-N 299.396 0.920 10 10 CCCE CS(=O)(=O)C[C@H](O)CNCc1cc(F)cc(F)c1O 922826087 VAHUNKSQYUMQFM-SECBINFHSA-N 295.307 0.166 10 10 CCCE CN(C)S(=O)(=O)CCCNCc1ccccc1O 699280404 YGMRSKMRVWKGON-UHFFFAOYSA-N 272.370 0.763 10 10 CCCE Cc1ccc(O)c([C@H](N)c2nnc(-c3nc[nH]n3)o2)c1 83535107 KBZTUHWVUBYHJQ-VIFPVBQESA-N 272.268 0.917 10 10 CCCE C[C@@H](C(N)=O)N(C)Cc1cc2c(cc1O)OCO2 711139750 LMJGNAPABBHWPY-ZETCQYMHSA-N 252.270 0.427 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CCC[C@@H]2CNCC[C@@H]21 714978294 GAJSHIOJSLEGGB-KOLCDFICSA-N 277.324 0.707 10 10 CCCE CCOc1cccc(CNC[C@@H](O)CN(C)C)c1O 717403174 HFLXBMNEXOQBQW-GFCCVEGCSA-N 268.357 0.803 10 10 CCCE CN1CCN(C(=O)CCOc2ccc(N)cc2)CC1=O 84189664 FRETXDDTOZMBNW-UHFFFAOYSA-N 277.324 0.338 10 10 CCCE O=C(c1c(F)ccc(O)c1O)N1CC(N[C@@H]2CCOC2)C1 1161854646 ORDGXIRTIDCKNJ-MRVPVSSYSA-N 296.298 0.440 10 10 CCCE Nc1ccc(OCC(=O)N[C@@H]2[C@@H]3CCCO[C@H]32)cc1 2119892890 ALELNDHPDYIQEI-IACUBPJLSA-N 262.309 0.941 10 10 CCCE OC[C@H]1C[C@@H](O)CN1c1ccc2c(c1)CCC[C@@H]2O 2128279374 OTSWLCIYIPAVCB-NFAWXSAZSA-N 263.337 0.988 10 10 CCCE CN1C[C@@H]2C[C@H]1CN2c1cc2c(cc1N)OCCO2 2131040470 JBCLFPXXAIXRIN-UWVGGRQHSA-N 261.325 0.933 10 10 CCCE O=[N+]([O-])c1cc(N2C[C@@H](O)C(F)(F)C2)ccc1CO 2132058151 MWAVATKUBUUMKD-SNVBAGLBSA-N 274.223 0.903 10 10 CCCE CC1(C)C[C@H](O)CN1C(=O)c1cc(O)c(O)c(O)c1 2132349775 HDKGVMQBCBVQBB-QMMMGPOBSA-N 267.281 0.789 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CC=C(CO)CC1 2132347967 AXVJVSDWYAGONN-UHFFFAOYSA-N 265.265 0.568 10 10 CCCE NC1CC(CCNC(=O)c2cc(O)c(O)c(O)c2)C1 2132420060 YXDFBWYCAQMARJ-UHFFFAOYSA-N 266.297 0.661 10 10 CCCE C[C@@H]1CCOC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2132407738 RCPGMEWXZGGMHM-VXNVDRBHSA-N 267.281 0.958 10 10 CCCE CO[C@@H]1C[C@@H]2C[C@@](NCCCN=[N+]=[N-])(C(N)=O)C[C@H]21 2133892176 QHLAULKCIDXPKW-BFLSOPEQSA-N 267.333 0.945 10 10 CCCE O=C(NCC[C@H]1CCC[C@H]1O)c1cc(O)nc(O)c1 1913759067 WFVRIEBEFRQERZ-PSASIEDQSA-N 266.297 0.774 10 10 CCCE C[C@@H](O)C1(NC(=O)COc2ccc(N)cc2)CC1 1913490485 VVCPGQYJPRMINK-SECBINFHSA-N 250.298 0.677 10 10 CCCE CCO[C@@H]1CS(=O)(=O)C[C@@H]1N1CCC(N=[N+]=[N-])CC1 1912183488 PUPQTKORIIQNAG-WDEREUQCSA-N 288.373 0.963 10 10 CCCE C[C@H](NC(N)=O)C(=O)N1CCCC[C@@H](CN=[N+]=[N-])C1 1912211604 YMEUJMIYXSWYGO-IUCAKERBSA-N 268.321 0.982 10 10 CCCE C[C@@H]1[C@H](O)CCN1c1ccc2c(c1)N(C)C(=O)[C@@H]2N 1914305808 RZZVPMUIWOIMTQ-BZHVJNSISA-N 261.325 0.622 10 10 CCCE CNCc1ccc(N2CC[C@@H](O)C[C@@H]2CO)c(F)c1 2136082840 SSNHCILSCPTUTI-VXGBXAGGSA-N 268.332 0.867 10 10 CCCE O=C(O)[C@@H]1[C@H](O)[C@H](O)CN1Cc1c(O)cccc1Cl 2136102223 NLAVONNGECLMEU-OUAUKWLOSA-N 287.699 0.036 10 10 CCCE CCOC(=O)[C@@H](N)C(=O)N(C)Cc1ccccc1O 224028355 FTKKAGCTGKKSCW-NSHDSACASA-N 266.297 0.241 10 10 CCCE CN(Cc1nc(=O)o[nH]1)C(=O)/C=C\c1ccc(O)c(O)c1 1469449491 GFMJRVBYZDYSFF-HYXAFXHYSA-N 291.263 0.446 10 10 CCCE C[C@@H](CC[S@@](C)=O)NC(=O)Cc1ccc(O)c(O)c1 1544807999 PTKYXVZVAFFOGR-ZRNGKTOUSA-N 285.365 0.914 10 10 CCCE CN(C)[C@@H]1COC[C@@H]1CNCc1ccc(O)c(O)c1 1924672735 QZTHDLRIJXITBX-NWDGAFQWSA-N 266.341 0.764 10 10 CCCE O=C(NCc1cccc(O)c1O)c1cccc[n+]1[O-] 1637035336 RBYFDRXTDLJFAH-UHFFFAOYSA-N 260.249 0.661 10 10 CCCE Nc1ccc(CC(=O)NC2CN(C(=O)C3CC3)C2)cc1 1926278857 QHJCAEPUEARLPC-UHFFFAOYSA-N 273.336 0.548 10 10 CCCE CCNC(=O)CNC(=O)c1ccc(N=NC(N)=O)cc1 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O=C(c1cccc(O)c1O)N1CCC[C@]1(CO)C(=O)O 2168651565 XYSZYVGVGFQJIQ-ZDUSSCGKSA-N 281.264 0.150 10 10 CCCE C[C@@]1(CO)COCCN1c1ccc2c(c1)NC(=O)[C@H]2N 2169031924 HCGFURVIBXGDJI-GXTWGEPZSA-N 277.324 0.226 10 10 CCCE O=C(N[C@H]1CC(=O)N2CCC[C@@H]12)c1ccc(O)c(O)c1 2188493752 IQLMJKUBKVZQKL-UWVGGRQHSA-N 276.292 0.591 10 10 CCCE COc1cc(N2C[C@H](OC)[C@H](N)C2)cc(OC)c1OC 2181947130 UEKNBUZFLDWXPU-MFKMUULPSA-N 282.340 0.875 10 10 CCCE CN(C[C@@H]1[C@H]2CCO[C@@H]12)C(=O)c1cc(O)c(O)c(O)c1 2188916086 MWKDGHKOCXELSX-JRKPZEMJSA-N 279.292 0.910 10 10 CCCE C[C@H](CN1CCOCC1)NCc1cc(O)c(O)c(O)c1 2188904813 MUZVDKKKVIWKAR-SNVBAGLBSA-N 282.340 0.614 10 10 CCCE O=C(N[C@@H]1C[C@H]2CC[C@@H](N2)[C@H]1F)c1cc(O)nc(O)c1 2193308976 KPMRPWPVYSBDPH-MFYTUXHUSA-N 281.287 0.454 10 10 CCCE Nc1ccc(NC(=O)N2[C@H]3CC[C@H]2[C@@H](O)[C@@H](O)C3)cc1 2190453472 LYXSDMSGVFEQQQ-ZDEQEGDKSA-N 277.324 0.759 10 10 CCCE Nc1ccc(OCC(=O)N2C[C@H]3CC(O)C[C@@H]3C2)cc1 2185078581 BUQRZBMCIABGEU-GHMZBOCLSA-N 276.336 0.877 10 10 CCCE 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CNC(=O)[C@H]1CNCCN1c1c(C)cc(OC)cc1C 2285055683 WULGFRRKMNUELZ-CYBMUJFWSA-N 277.368 0.836 10 10 CCCE Cn1cnc([C@@H](O)c2ccc(N3CCNCC3)cc2)n1 2286066884 ZWGXBYUVZATZMS-ZDUSSCGKSA-N 273.340 0.306 10 10 CCCE Cc1cc(CO)ccc1N1C[C@@H](O)[C@@H](O)[C@H]1CF 2311995252 GLPWKJWUXITJQV-UPJWGTAASA-N 255.289 0.367 10 10 CCCE [N-]=[N+]=N[C@H]1CCC[C@H]1NS(=O)(=O)N1CC[C@@H](O)C1 2312333572 QJGSNOQQPDYCOY-HRDYMLBCSA-N 275.334 0.119 10 10 CCCE COCC1(O)CC(C(=O)N(C)CCCN=[N+]=[N-])C1 2320761454 DTKNGVYDOZULRK-UHFFFAOYSA-N 256.306 0.933 10 10 CCCE N[C@H]1C[C@]2(C(=O)NCCc3ccc(O)c(O)c3)C[C@H]12 2329381059 WMZKHZBEQPIIHQ-ISTVAULSSA-N 262.309 0.494 10 10 CCCE Nc1ccc(NC(=O)N2C[C@@H](O)[C@@H](O)[C@H]2CF)cc1 2333233671 ILVUWOIOHYEUID-MXWKQRLJSA-N 269.276 0.176 10 10 CCCE N[C@@H]1C[C@@]2(C(=O)NCc3ccccc3O)CO[C@@H]1C2 2334181302 IHYJZUGZEODPPB-QKCSRTOESA-N 262.309 0.515 10 10 CCCE CCCS(=O)(=O)N(C)NCc1ccc(O)c(O)c1O 2339780946 KVMVDABZSVAPOH-UHFFFAOYSA-N 290.341 0.480 10 10 CCCE COC(=O)[C@H](CN)c1ccc(O)c(CN(C)C)c1 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C[C@@H]1[C@@H](CO)CCN1C(=O)Cc1ccc(O)c(O)c1 1568204391 ZUJUMGGYTZXRDV-MWLCHTKSSA-N 265.309 0.870 10 10 CCCE COC(=O)CCNC(=O)[C@@H](N)c1cccc(C)c1O 83483770 JKJJBFYQUSOVJD-NSHDSACASA-N 266.297 0.380 10 10 CCCE COc1ccc(N2CCNC(=O)[C@H]2C)cc1C(=O)O 84630741 VSOOSSMHQXJGBP-MRVPVSSYSA-N 264.281 0.718 10 10 CCCE Cn1cc(NC(=O)CCOc2ccc(N)cc2)nn1 701871823 NOMZWUXTTXBEEU-UHFFFAOYSA-N 261.285 0.805 10 10 CCCE O=C(CCc1cnn[nH]1)NCCc1ccc(O)c(O)c1 1137464981 ZQHAGKXUSJPZMB-UHFFFAOYSA-N 276.296 0.507 10 10 CCCE CNCc1ccc(N2C[C@@H](O)C[C@]2(C)CO)c(F)c1 698217660 UURJSCOPRSKFNE-SMDDNHRTSA-N 268.332 0.867 10 10 CCCE COc1nc(N(C)C)sc1[C@H](O)C(=O)C(C)=O 1919067427 DYUHXKNKKIWKDX-SSDOTTSWSA-N 258.299 0.409 10 10 CCCE NC(=O)c1ccc(C(=O)NCc2ccc(O)cc2O)cn1 1162278757 LHIUVBCWVUPPQV-UHFFFAOYSA-N 287.275 0.522 10 10 CCCE Nc1ccc(CCN2C[C@H]3C[C@@H](O)[C@H](O)[C@H]2C3)cc1 2116697844 FIPRXQGUYZMFAM-NMFUWQPSSA-N 262.353 0.627 10 10 CCCE CS(=O)(=O)[C@H]1CCN(C(=O)Nc2ccc(N)cc2)C1 2123328724 FDUBCCAUSOTRRH-NSHDSACASA-N 283.353 0.920 10 10 CCCE CN1C[C@@H]2C[C@H]1CN2c1ccc(CO)cc1[N+](=O)[O-] 2131063596 PKQAKYBWNGBGJG-QWRGUYRKSA-N 263.297 0.980 10 10 CCCE COC(=O)C1CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2132404278 QQNJDLQMVPQHGD-UHFFFAOYSA-N 267.237 0.048 10 10 CCCE O=C(c1cc(O)cs1)N1CCC(CO)(CO)C1 1333409158 JSXRPBAJLBZBCZ-UHFFFAOYSA-N 257.311 0.271 10 10 CCCE [N-]=[N+]=N[C@H]1CCN(C(=O)C[C@H]2CCS(=O)(=O)C2)C1 1912197215 QBFUEWIIDVGYQF-BDAKNGLRSA-N 272.330 0.722 10 10 CCCE [N-]=[N+]=NCCCN[C@H](C(N)=O)[C@H]1CC12CCOCC2 1912148691 WLLYMKYMGYODMH-ZJUUUORDSA-N 267.333 0.947 10 10 CCCE [N-]=[N+]=NCCCCN1CCC(C(=O)NCCO)CC1 1912188163 NPKBGQIWTUDUJH-UHFFFAOYSA-N 269.349 0.897 10 10 CCCE [N-]=[N+]=NCC1CCN(C(=O)[C@@H]2CCS2(=O)=O)CC1 1912164425 AUYNOFIUQVBNOE-VIFPVBQESA-N 272.330 0.722 10 10 CCCE Cn1cc(C(=O)NCc2ccc3cccnc3c2O)nn1 1627072606 CADOHNDVUMETMV-UHFFFAOYSA-N 283.291 0.999 10 10 CCCE NC[C@@H]1C[C@H](F)CN1C(=O)c1cccc(O)c1O 1923601693 ZCTKULUNERDSGX-YUMQZZPRSA-N 254.261 0.609 10 10 CCCE O=C(Cn1cc(C2CC2)nn1)NCc1ccc(O)cc1O 1638351885 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CC[C@@H](CCO)NC(=O)c1cc(OC)nc(OC)c1 1886776895 MILDMRNUDYOROO-JTQLQIEISA-N 268.313 0.990 10 10 CCCE Nc1ccc(CC(=O)N2CCOC[C@H](CO)C2)cc1 1967362189 RBBPGSQSDVIZFD-LBPRGKRZSA-N 264.325 0.279 10 10 CCCE C[C@@H]1CN(c2ccc3c(c2)NC(=O)[C@H]3N)CCN1C 251578213 CGTNTBBEAMFTPR-RNCFNFMXSA-N 260.341 0.779 10 10 CCCE NC(=O)[C@H]1CCC[C@@H]1NC(=O)c1cccc(O)c1O 1970119722 TYZIDUSBTZAQMC-CBAPKCEASA-N 264.281 0.482 10 10 CCCE C[S@@](=O)(=NC(=O)Cc1ccc(O)c(O)c1)[C@H]1CCNC1 1972973580 IVUANRLPUOJCNZ-FVINQWEUSA-N 298.364 0.627 10 10 CCCE O=C1Nc2cc(N3C[C@@H]4C[C@]4(CO)C3)c(F)cc2[C@H]1O 2146305311 FKCYXLFFKVKWSE-AAAAQAOESA-N 278.283 0.630 10 10 CCCE CCO[C@H]1CN(C(=O)c2cccc(O)c2O)CC[C@@H]1O 2146732074 UNLFWVTYWYPJOH-JQWIXIFHSA-N 281.308 0.710 10 10 CCCE Nc1ccc(OC[C@H](O)CN2C[C@H]3[C@@H](O)C[C@H]3C2)cc1 2151390740 FJCKMOUXOOVKAI-BTQDYEIMSA-N 278.352 0.321 10 10 CCCE O=C(O)[C@@H]1C=CCN(C(=O)Cc2ccc(O)c(O)c2)C1 2159781455 ZYUBCKGQFKQPCX-SNVBAGLBSA-N 277.276 0.740 10 10 CCCE O=S1(=O)CC(NCc2ccc3c(c2)CCCO3)C1 2027295320 FWMONMLCOGMQLO-UHFFFAOYSA-N 267.350 0.898 10 10 CCCE O=C(N[C@H]1COCC[C@@H]1C(=O)O)c1cccc(O)c1O 2159036198 PBGIXJVNACLNAR-CBAPKCEASA-N 281.264 0.317 10 10 CCCE Nc1ccc(CCN2CCS(=O)(=O)CCO2)cc1 2029786672 DXDNALPMLHVADV-UHFFFAOYSA-N 270.354 0.473 10 10 CCCE C[C@H](N[C@H]1CN(C)C[C@H]1O)c1ccc(F)cc1O 2029869387 FKQFHCQXEZAUES-LJUAHTATSA-N 254.305 0.857 10 10 CCCE NCCN(CC1CC1)C(=O)c1cc(O)nc(O)c1 2030273326 RMWLWJUFYLMRMQ-UHFFFAOYSA-N 251.286 0.304 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3C[C@@H](O)[C@H](F)C3)ccc21 2031929731 VABWYPHRAIWSRM-IEBDPFPHSA-N 251.261 0.158 10 10 CCCE Cc1ccc(=O)n(CC(=O)N(C)c2ccc(N)cc2)n1 61809955 JFGLVLHTTWWPKW-UHFFFAOYSA-N 272.308 0.797 10 10 CCCE Nc1ccc(CS(=O)(=O)NC[C@H]2CCC(=O)NC2)cc1 2159422742 KYDQWAFZYHLUIK-NSHDSACASA-N 297.380 0.214 10 10 CCCE NCC1(CCNC(=O)c2cc(O)nc(O)c2)CC1 404798083 NZPRUWMBSOPFQT-UHFFFAOYSA-N 251.286 0.352 10 10 CCCE O=C1CCCC(=O)N1CCNCc1ccc(O)c(O)c1 405315914 JPRWOSWIDSYKOD-UHFFFAOYSA-N 278.308 0.727 10 10 CCCE O=C(c1cccc(O)c1O)N1CC[C@@H]2NCC[C@H]2C1 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10 CCCE COc1ccc(CNCCc2nc(=O)o[nH]2)c(O)c1 392258883 PDWTWZFHRQRQIF-UHFFFAOYSA-N 265.269 0.409 10 10 CCCE NC(=O)N1CCC(NCc2ccc(O)c(O)c2)CC1 393373251 JVKYHDARNSVQSE-UHFFFAOYSA-N 265.313 0.731 10 10 CCCE CO[C@H]1C[C@H](CO)N(c2ccc3c(c2)NC(=O)[C@@H]3N)C1 2167205474 PFLQSTVVBVESJN-GBIKHYSHSA-N 277.324 0.225 10 10 CCCE O=C(N[C@H]1CC(=O)N2CCC[C@H]12)c1cccc(O)c1O 2188494405 NHWRFGPFYGUFCT-VHSXEESVSA-N 276.292 0.591 10 10 CCCE CN1CCN(c2ccc(CO)c([N+](=O)[O-])c2)CCC1=O 2188571868 KPKIFPLQTGQKAQ-UHFFFAOYSA-N 279.296 0.756 10 10 CCCE O=[N+]([O-])c1cc(N2CC[C@@H](O)[C@@H](CO)C2)ccc1CO 2188575177 FWFCLDXTDAQAQT-ZWNOBZJWSA-N 282.296 0.267 10 10 CCCE C[C@@H](O)c1ccc(N2CC[C@H](O)[C@@H](O)C2)c([N+](=O)[O-])c1 2188678559 HPOFSEKHDBACIQ-JCOFBHIZSA-N 282.296 0.580 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CC[C@@H]2C[C@]21CO 2188614186 ZALXOPUYERUJPU-YVLXSGLVSA-N 277.320 0.918 10 10 CCCE CO[C@H]1COC[C@H]1N(C)C(=O)c1cc(O)c(O)c(O)c1 2188919357 MEGXPOIPTGJOCI-KCJUWKMLSA-N 283.280 0.289 10 10 CCCE CC[C@H]1C(=O)NC(=O)CN1c1ccc2c(c1)CC[C@H]2N 2184739173 CQBVGSPIUGIWCQ-OLZOCXBDSA-N 273.336 0.874 10 10 CCCE CO[C@@H]1CN(C)C[C@H]1NCc1c(O)cccc1F 2042608249 QAUBFZMIYJDJPB-DGCLKSJQSA-N 254.305 0.950 10 10 CCCE NCc1ccc(N2C[C@@H](O)C[C@@H](O)C2)c(F)c1F 2043132395 BGHHZPLMFJFTFJ-DTORHVGOSA-N 258.268 0.355 10 10 CCCE C[C@@]1(O)CCN(CCOc2ccc(N)cc2)C[C@@]1(C)O 2194624823 QLRSIBFLIRLURW-HUUCEWRRSA-N 280.368 0.855 10 10 CCCE NCc1ccc(N2CC(=O)N3CCOC[C@@H]3C2)cc1F 2185855294 KUJIRZVKKPFTBD-LBPRGKRZSA-N 279.315 0.332 10 10 CCCE C[C@H](O)[C@@H](N)C(=O)N(C)[C@H](C)c1ccccc1O 2054763136 LRQWJHWYWBNPRO-VDDIYKPWSA-N 252.314 0.620 10 10 CCCE CN(C(=O)CN1C[C@@H]2C[C@@H]2[C@@H]1CO)c1ccc(N)cc1 2198990817 AOFIVMPQMKEODH-BPNCWPANSA-N 275.352 0.544 10 10 CCCE C[C@@]1(NC(=O)c2cc(O)c(O)c(O)c2)CCNC1 2068618316 PKNKECAKYXSLGF-GFCCVEGCSA-N 252.270 0.285 10 10 CCCE Nc1ccc(NC(=O)N2CCNC[C@H]2CO)cc1 2071559359 ZORDIZGFHRDMDA-NSHDSACASA-N 250.302 0.067 10 10 CCCE CN(C(=O)COc1ccc(N)cc1)C(C)(C)CN 2071704150 UMAGZVJSUOKGTJ-UHFFFAOYSA-N 251.330 0.843 10 10 CCCE C[C@@H]1C[C@H](CO)CN1c1ccc2c(c1)NC(=O)[C@@H]2N 2100330376 JNOCCOVQXAWIPL-VYUIOLGVSA-N 261.325 0.846 10 10 CCCE COc1ccc(N2CC[C@@H]3C(=O)NC[C@H]3C2)c(N)c1 2100944447 NJUUSPLIWARDPZ-ONGXEEELSA-N 261.325 0.850 10 10 CCCE CON(CCC(=O)O)C(=O)Cc1ccc(O)c(O)c1 2102168966 HIXDIJAJECMPSF-UHFFFAOYSA-N 269.253 0.505 10 10 CCCE COC[C@](C)(N)C(=O)NCc1cccc(C)c1O 2084062246 CKNWJMYWACVMJN-ZDUSSCGKSA-N 252.314 0.681 10 10 CCCE CN(c1ccc(N)cc1)S(=O)(=O)C1CC(C(=O)O)C1 2106307514 NICNULPNGDNBBF-UHFFFAOYSA-N 284.337 0.898 10 10 CCCE COc1ccc(N2CCC(N)(C(N)=O)CC2)c(C)c1 2106351030 LYOAETRFMJCSAZ-UHFFFAOYSA-N 263.341 0.787 10 10 CCCE C[C@@H](NC[C@H]1CCS(=O)(=O)N1)c1cc(O)ccc1O 2089999661 VJSBYPMRDSTBGP-RKDXNWHRSA-N 286.353 0.440 10 10 CCCE C[S@@](=O)(CCCCN)=NC(=O)c1cc(O)nc(O)c1 2110309989 QOXWOPNQMUMVEJ-LJQANCHMSA-N 287.341 0.470 10 10 CCCE CCOc1cccc(CN2CCOC[C@@H]2CN)c1O 2096831766 BJFGCJSKWNKCQR-LBPRGKRZSA-N 266.341 0.950 10 10 CCCE CCCN[C@H]1COC[C@@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 2112570993 IVHIVKBJYGJKLU-BJDJZHNGSA-N 268.357 0.267 10 10 CCCE COc1cc(N2CCN3C(=O)CC[C@@H]3C2)ccc1CO 2204543444 NMCCGKDGESOWMP-CYBMUJFWSA-N 276.336 0.999 10 10 CCCE [N-]=[N+]=N[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCS(=O)(=O)C1 2218742144 FHTXNWMBGRJQPF-DJLDLDEBSA-N 272.330 0.769 10 10 CCCE COc1ccc(N(C)CC(CO)CO)cc1OC 2219646435 BRRWXMJTOMOTMC-UHFFFAOYSA-N 255.314 0.741 10 10 CCCE C[C@@H](O)CN(CCO)c1ccc2c(c1)CCN2C 2219637589 KESBCDTTXCYAAS-LLVKDONJSA-N 250.342 0.858 10 10 CCCE Nc1ccc(OCC(=O)N2CC[C@@H]3[C@@H](O)C[C@H]3C2)cc1 2232888008 KNSKMVKVZYYLPZ-BPNCWPANSA-N 276.336 0.877 10 10 CCCE CN1[C@H](C(=O)O)CC[C@@H]1C(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-] 2234171821 OYESLQXBWMZOPU-KYXWUPHJSA-N 281.316 0.881 10 10 CCCE O[C@H]1[C@@H]2C[C@H](CCN2c2ccc3c(c2)OCCO3)[C@H]1O 2235112496 HIDQDLPQVZFLSH-NDMCHQMPSA-N 277.320 0.778 10 10 CCCE NCc1ccc(N2C[C@@H]3[C@H]4C[C@H]([C@H](O)[C@H]4O)[C@@H]3C2)cc1 2237069092 RAKFABHZSDCWBN-AYCBFJCHSA-N 274.364 0.569 10 10 CCCE CSc1ncc(CNS(=O)(=O)CCON)s1 2243844610 OQDHBLPUFZQNSU-UHFFFAOYSA-N 283.400 0.175 10 10 CCCE OC[C@H](O)[C@H]1CCN1c1ccc(CNC2CC2)cc1 2270704900 LSBYFTOUOUEYDC-CABCVRRESA-N 262.353 0.871 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@H]2COC(=O)C2)cc1 2264148945 YUAIIJWLFTXFIW-JTQLQIEISA-N 270.310 0.004 10 10 CCCE Nc1ccc(CC(=O)N2CC[C@H](O)[C@H](O)CC2)cc1 2269149565 DXKLEMIIRXCLIN-BETUJISGSA-N 264.325 0.156 10 10 CCCE COc1cc(N)c(N(CCN)C[C@@H](C)O)cc1OC 2269950869 ZIRAGUCXFKXFNI-SECBINFHSA-N 269.345 0.432 10 10 CCCE CN(C)CCCN(CCN)C(=O)c1cccc(O)c1O 2280552513 HZZDRNLFEYGTBZ-UHFFFAOYSA-N 281.356 0.450 10 10 CCCE CC1(C)OCCN(C(=O)c2cccc(O)c2O)[C@H]1CN 2282903426 IZMMKDUKBAWERT-NSHDSACASA-N 280.324 0.676 10 10 CCCE C[C@H](C(=O)Nc1ccc(N)cc1)N1CC[C@@H]1[C@@H](O)CO 2286205725 GLDNYTSZOXHBMJ-WQAKAFBOSA-N 279.340 0.023 10 10 CCCE CCN(CCN=[N+]=[N-])C(=O)C1CC(S(C)(=O)=O)C1 2315988858 DJLRFIXTYKVPQW-UHFFFAOYSA-N 274.346 0.968 10 10 CCCE CN(C(=O)c1ccc(O)c(O)c1)[C@H]1CNC[C@@H]1F 2320522661 DASUCUARZFWNBV-IUCAKERBSA-N 254.261 0.480 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1C[C@H]2CC[C@H](O)[C@H]2C1 2328659490 FOUYFCNGQVNXDV-VWYCJHECSA-N 263.293 0.941 10 10 CCCE Cc1cc([C@H](C)O)ccc1N1C[C@@H](O)[C@@H](O)[C@H]1CF 2333979338 RMNADBPUFWKSSW-VKKKGTNTSA-N 269.316 0.928 10 10 CCCE CN[C@H](C)CC(=O)N1CCc2cc(O)c(O)cc2C1 2341195724 DNGIUHXEYQPPTC-SECBINFHSA-N 264.325 0.981 10 10 CCCE CO[C@@H]1C[C@@H](CO)N(CCc2ccc(N)cc2)C1 310839099 KGEQZCASHCHLKL-UONOGXRCSA-N 250.342 0.893 10 10 CCCE COc1nc(NC(=O)c2cccc(O)c2O)n[nH]1 126647866 ZJVCIDLUBJFYII-UHFFFAOYSA-N 250.214 0.477 10 10 CCCE CC1(C)[C@H](O)C[C@H]1NC(=O)c1cc(O)nc(O)c1 129826089 GSIVTWYNVYBTGE-HTQZYQBOSA-N 252.270 0.382 10 10 CCCE COC(=O)[C@H](C)S(=O)(=O)Nc1ccc(O)cc1F 85203901 RCDCZHINZOLOMD-LURJTMIESA-N 277.273 0.835 10 10 CCCE Nc1cccc(C(=O)O)c1N[C@H]1CCS(=O)(=O)C1 130018607 RKZCHYJHHDGFKU-ZETCQYMHSA-N 270.310 0.566 10 10 CCCE NC(=O)[C@@H]1CCN(C(=O)c2ccc(O)c(O)c2)C1 227026827 PUZNXCQXPUHJQG-MRVPVSSYSA-N 250.254 0.045 10 10 CCCE Nc1ccc(N2C(=O)C[C@@H](N3CCOCC3)C2=O)cc1 137477044 QZZMYVJDJATVQW-GFCCVEGCSA-N 275.308 0.233 10 10 CCCE COCCNC(=O)CN(CCCN)c1ccc(OC)cc1 49277989 DGFPPVGZPOYONJ-UHFFFAOYSA-N 295.383 0.613 10 10 CCCE CN1CCc2cc([C@@H]3NC(=O)[C@@H]4COCCN43)ccc21 245791434 WDPKEUPKJYYUME-UONOGXRCSA-N 273.336 0.508 10 10 CCCE Cc1cccc(CNS(=O)(=O)c2cn[nH]c2)c1O 1260964973 HREJIISFCVOOMD-UHFFFAOYSA-N 267.310 0.902 10 10 CCCE C[C@H]1CN(c2cc3c(cc2N)OCCO3)CC(=O)N1 386919785 PCBZJISMOINJLE-QMMMGPOBSA-N 263.297 0.365 10 10 CCCE C[C@@H]1OCCO[C@H]1[C@@H](NN)c1ccc2c(c1)CCN2C 2163160326 KYMJYBWCGRAUSO-NZVBXONLSA-N 277.368 0.987 10 10 CCCE NC(=O)[C@H]1CC[C@@H](NC(=O)c2cccc(O)c2O)C1 1299255426 XEYNYVQTYLTVTA-JGVFFNPUSA-N 264.281 0.482 10 10 CCCE Nc1ccc(CC(=O)NC[C@@H]2C[C@H]3COC[C@@H]3O2)cc1 724600074 OMBKAXGZTHJHQK-UBHSHLNASA-N 276.336 0.731 10 10 CCCE COc1ccc(N(CC(N)=O)C2CCNCC2)c(F)c1 2162854429 KXQHHOIHPLVMBX-UHFFFAOYSA-N 281.331 0.878 10 10 CCCE CNC(=O)[C@H]1COCCN1c1ccc([C@@H](C)NC)cc1 723182102 HUNJUEPKOMMGJU-BXUZGUMPSA-N 277.368 0.918 10 10 CCCE CC(C)(C)OC(=O)N(CCO)[C@@H](CN=[N+]=[N-])C(=O)O 725485005 VYFTZMIONXLGCV-ZETCQYMHSA-N 274.277 0.979 10 10 CCCE CNC(=O)N1CCN(C(=O)Nc2ccc(N)cc2)CC1 722162596 CERDSSALTWMMGP-UHFFFAOYSA-N 277.328 0.758 10 10 CCCE COC(=O)[C@H]1CCN[C@H]1c1cc(O)c(O)c(O)c1 1952825265 HVGYJOSLHBSUCA-XVKPBYJWSA-N 253.254 0.627 10 10 CCCE NC(=O)[C@@H]1Cc2ccccc2N(C(=O)C=C2CCNCC2)C1 852832366 LEBQSXYARBJZIG-CQSZACIVSA-N 299.374 0.987 10 10 CCCE C[C@@H]1CN(C(=O)c2cc(O)cs2)CCN1CCO 779484736 GRWGTJOVUNQPJZ-SECBINFHSA-N 270.354 0.592 10 10 CCCE O=C(O)c1[nH]cnc1[C@@H]1NCCc2c(O)ccc(O)c21 75798986 FHMRDCFTBYVELS-SNVBAGLBSA-N 275.264 0.754 10 10 CCCE CC[C@]1(C)NC(=O)N(CC(=O)NCCN=[N+]=[N-])C1=O 701318289 CXZMNQRBTYUTJS-JTQLQIEISA-N 268.277 0.133 10 10 CCCE CNCc1ccc(N(C)Cc2nnnn2C)c(F)c1 707678665 XFODADVFUKNQQU-UHFFFAOYSA-N 264.308 0.705 10 10 CCCE C[C@@H](C(N)=O)N(C)[C@H](C)C(=O)Nc1ccc(N)cc1 711090828 TUVLSNFLHVDSPU-DTWKUNHWSA-N 264.329 0.401 10 10 CCCE [N-]=[N+]=NCCCN[C@@]1(C(N)=O)C2CCN(CC2)C12CC2 716055795 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COc1ccc(N2C[C@@H](CO)NC[C@@H]2C)c(OC)c1 217179118 BJSPMVAGYLJTBH-QWRGUYRKSA-N 266.341 0.863 10 10 CCCE CCOC1(C(=O)NCc2cccc(C)c2O)CNC1 2139743842 PQLKRAODEWRLMY-UHFFFAOYSA-N 264.325 0.695 10 10 CCCE C[C@H]1CN(CC(=O)c2ccc(O)c(O)c2)CC[C@@H]1O 166486267 LGZGTMFAEQBPCQ-ONGXEEELSA-N 265.309 0.983 10 10 CCCE [N-]=[N+]=NCCCN[C@@]1(C(=O)O)CCN2CCC[C@H]21 168165306 HOTWFXNMCXHBLF-ONGXEEELSA-N 253.306 0.968 10 10 CCCE CNCc1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CF)cc1Cl 2140663494 OQTJPFAXGUDUBK-RWMBFGLXSA-N 288.750 0.939 10 10 CCCE COc1cccc(O)c1CN(CCO)CC(=O)O 1963442760 YGTCUWLDWFJARN-UHFFFAOYSA-N 255.270 0.280 10 10 CCCE CN(C)c1ccc(C=CC(=O)NC[C@](C)(N)CO)cc1 1876127380 FTBNQKWITGHSBA-HNNXBMFYSA-N 277.368 0.592 10 10 CCCE Nc1cccc(C(=O)O)c1N[C@@H]1CCNC[C@@H]1CO 1876463897 WMGAXQGHLKUXDJ-LDYMZIIASA-N 265.313 0.349 10 10 CCCE C[C@@H]1CCNC[C@H]1NC(=O)COc1ccc(N)cc1 1876513596 KVSXMIRSFLEWSB-ZWNOBZJWSA-N 263.341 0.762 10 10 CCCE C[C@H](c1ccccc1O)N(C)C[C@]1(O)CNC[C@H]1O 1877524748 SZBXOJQOLNWCPO-LERXQTSPSA-N 266.341 0.080 10 10 CCCE C[C@H](O)c1ccc(N2C[C@@H]3CS(=O)(=O)C[C@H]3C2)cc1O 2144166885 LTIGBOVHDGPXJV-HBNTYKKESA-N 297.376 0.926 10 10 CCCE Cc1ccc(CN(CC(=O)O)CC(=O)O)c(O)c1 1963044346 BKEIBJHPTWLOJA-UHFFFAOYSA-N 253.254 0.672 10 10 CCCE O=C(c1cccc(O)c1O)N1C[C@H](O)C[C@@H](F)C1 1965251613 CBNUHFLVWTZPJD-HTQZYQBOSA-N 255.245 0.643 10 10 CCCE CN1C[C@@H](CN)C[C@H]1c1ccc(S(C)(=O)=O)cc1O 258445636 FMMIRMDSIXUXDY-SKDRFNHKSA-N 284.381 0.747 10 10 CCCE COc1ccc(O)c(CNCCN2CCN(C)CC2)c1 37759809 AILRHGWGKBCUEW-UHFFFAOYSA-N 279.384 0.738 10 10 CCCE Nc1ccc(OCCN2CC[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 2151271961 ABPYPRFPJMTNTP-RISCZKNCSA-N 296.392 0.767 10 10 CCCE COc1ccc(CNCCN2CCN(C)CC2)c(O)c1 40906699 CHKLVMGZZKHTFM-UHFFFAOYSA-N 279.384 0.738 10 10 CCCE N[C@H]1CCC[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 2027483681 RRYHWCILZKPIAM-UWVGGRQHSA-N 250.298 0.636 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1C[C@H](O)[C@H](F)C1 2031869872 HEJNAPLRVFVRDE-KCJUWKMLSA-N 255.245 0.182 10 10 CCCE Oc1cccc(CNC[C@@H]2COCCCO2)c1O 2036459190 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COC[C@H]1CN(C(=O)c2ccc(O)c(O)c2)CCO1 705827558 YXHSOPHADTYPGG-SNVBAGLBSA-N 267.281 0.585 10 10 CCCE C[C@@H]1CN(c2ccc3c(c2)NC(=O)[C@H]3N)CCS1(=O)=O 707158436 FVNINTSLTLPGGD-PELKAZGASA-N 295.364 0.262 10 10 CCCE CN(C)C[C@@H](CO)NCc1cc(F)cc(F)c1O 708435832 FMCPHEFHTBCWBJ-JTQLQIEISA-N 260.284 0.683 10 10 CCCE CCN1CC[C@@H]1CNC(=O)c1cccc(O)c1O 712290326 JSHMNJXFIFMSNR-SECBINFHSA-N 250.298 0.922 10 10 CCCE CN(C[C@@H](O)CN1CCOCC1)c1ccc(CN)cc1 380759948 XJAZQBKMEPUBPD-OAHLLOKOSA-N 279.384 0.275 10 10 CCCE C[C@H](CO)N1CCN(C(=O)Cc2ccc(N)cc2)CC1 2169349715 VQXSABRFJSCZRW-GFCCVEGCSA-N 277.368 0.336 10 10 CCCE O=C1CCCN1CCCn1ccc2c(c1=O)CNCC2 2169786540 BCUFTRHTZLSCTA-UHFFFAOYSA-N 275.352 0.507 10 10 CCCE Cn1ccnc(N2Cc3ccccc3[C@H](CN)C2)c1=O 2176215307 HJNDPMWYAMUVJO-GFCCVEGCSA-N 270.336 0.843 10 10 CCCE Nc1ccc(CC(=O)N[C@@H]2CC(=O)N3CCC[C@@H]23)cc1 2188499174 MRJYYBZYPDQLMF-OLZOCXBDSA-N 273.336 0.691 10 10 CCCE CN(C)[C@H]1CCCN(C(=O)c2cc(O)c(O)c(O)c2)C1 2188868197 NJZKGHPIYVUREE-JTQLQIEISA-N 280.324 0.970 10 10 CCCE NC[C@]12C[C@@H]1CC[C@@H]2NC(=O)c1cc(O)c(O)c(O)c1 2188916183 NQEBORNUWBFXIZ-YLGCSUCGSA-N 278.308 0.661 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H]2CNCC[C@H]2C1 2188916307 OJONZGAUQMHWGV-WPRPVWTQSA-N 278.308 0.485 10 10 CCCE C[C@H]1CCNC[C@H]1CNC(=O)c1cc(O)c(O)c(O)c1 2188918823 IAMJAPZBXPUZPT-WPRPVWTQSA-N 280.324 0.779 10 10 CCCE C[C@]1(O)CN(CCOc2ccc(N)cc2)CC[C@@]1(C)O 2194624818 QLRSIBFLIRLURW-CABCVRRESA-N 280.368 0.855 10 10 CCCE C[C@@H](N)[C@H]1CCN1C(=O)Cc1ccc(O)c(O)c1 2045156862 HLFVCTQQZOZMLU-PSASIEDQSA-N 250.298 0.588 10 10 CCCE CN(C(=O)CN1CC[C@H]2COC[C@@H]21)c1ccc(N)cc1 2198569012 NFYXQFLJWFLWHB-FZMZJTMJSA-N 275.352 0.952 10 10 CCCE CN(C)[S@](C)(=O)=NC(=O)COc1ccc(N)cc1 2048516099 GGRCWUXWMTVPOK-GOSISDBHSA-N 271.342 0.749 10 10 CCCE C[S@](=O)CC1(C)CN(c2ccc3c(c2)NC(=O)[C@H]3O)C1 2186350716 DIHYBVZBYSFATF-YUNKPMOVSA-N 294.376 0.877 10 10 CCCE CNCC[S@](C)(=O)=NC(=O)CCOc1ccc(N)cc1 2191667322 GZUZRUOQEJTYRM-FQEVSTJZSA-N 299.396 0.882 10 10 CCCE COc1ccc(N2CC[C@@H](N)[C@@H](CO)C2)cc1F 2058545878 UYJWHPSUJJDPFD-BXKDBHETSA-N 254.305 0.980 10 10 CCCE Nc1ccc(OCCS(=O)(=O)N2C[C@H]3C[C@H]2[C@H]3N)cc1 2191762073 XTQMHPBATOYUEA-ICCXJUOJSA-N 297.380 0.009 10 10 CCCE [N-]=[N+]=NCCN[C@]1(C(N)=O)CO[C@H](C(F)(F)F)C1 2065744319 SHWDAHZMXOGIOP-FSPLSTOPSA-N 267.211 0.462 10 10 CCCE CO[C@@H]1C[C@H](NCc2cc3c(cc2O)OCO3)C[C@H]1O 2187369704 ANNYZGVORAWSDV-YUSALJHKSA-N 281.308 0.749 10 10 CCCE CCCN(CCN)C(=O)c1cc(O)c(O)c(O)c1 2068624653 RKAIWIRKIPJRNJ-UHFFFAOYSA-N 254.286 0.614 10 10 CCCE CN1C[C@@H]2C[C@H](C1)N2c1cc2c(cc1F)[C@@H](O)C(=O)N2 2187624082 HLMXHFCHYICDOS-BFHDXFOESA-N 277.299 0.704 10 10 CCCE NCc1ccc(N2CCO[C@H]3COC[C@@H]32)c(F)c1 2072512142 BCEMVNTXOMSQLX-STQMWFEESA-N 252.289 0.888 10 10 CCCE C[C@@H]1CCNC(=O)[C@@H]1CNCc1ccc(O)cc1O 2103041486 OIQFGOYFYXWZDJ-BXKDBHETSA-N 264.325 0.960 10 10 CCCE Oc1ccc(CN[C@@H]2CCc3nncn3C2)c(O)c1 2103719756 CYRMOCQORCJTES-SNVBAGLBSA-N 260.297 0.794 10 10 CCCE COCCOCC(=O)NCc1cccc(C)c1O 2084056930 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VVVOSJHNZBHOIY-BETUJISGSA-N 263.249 0.835 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3C[C@@H]4C[C@H](O)[C@H]3C4)ccc21 2355620482 PAYJOZRGFPXWKE-ISTUKMMPSA-N 273.336 0.859 10 10 CCCE O=C(O)c1cc(N=Nc2nn[nH]n2)c(O)cc1O 1951307361 LQOQXWGQLIZHBR-UHFFFAOYSA-N 250.174 0.725 10 10 CCCE Cc1ccc(C(=O)NC[C@H](C)N2CCOCC2)c(O)c1O 177670979 KIAMJZZVJFYOFS-NSHDSACASA-N 294.351 0.857 10 10 CCCE Cc1ccc(O)c([C@@H](C)NCCS(N)(=O)=O)c1 36744714 AYGOVSZKMGWLGK-SECBINFHSA-N 258.343 0.640 10 10 CCCE COc1cc(N2C[C@@H](O)[C@@H](CO)C2)c([N+](=O)[O-])cc1OC 316295702 YZNOKQPFOZDZFY-LDYMZIIASA-N 298.295 0.401 10 10 CCCE CC1(C)[C@@H](NC(=O)c2cc(O)nc(O)c2)C[C@H]1O 129826302 GSIVTWYNVYBTGE-JGVFFNPUSA-N 252.270 0.382 10 10 CCCE O=[N+]([O-])c1ccc(O)c(CN2C[C@@H](O)C[C@H]2CO)c1 186537422 HHCXHLXBEFJDBT-QWRGUYRKSA-N 268.269 0.228 10 10 CCCE CN(C)CCN[C@@H](CN)c1ccc(N(C)C)cc1 87912090 CWKLLXANTMJZLI-AWEZNQCLSA-N 250.390 0.904 10 10 CCCE CC[S@](=O)CCNC(=O)[C@@H]1CNc2ccccc2N1 229885168 HJPSIAHHCGOLBO-BUXKBTBVSA-N 281.381 0.777 10 10 CCCE CC(=O)N[C@@H](CNCc1ccccc1O)C(=O)O 228414146 JPPOYRNYOLZHCA-JTQLQIEISA-N 252.270 0.071 10 10 CCCE O=C(NC[C@@H](O)C(F)(F)F)c1ccc(O)c(O)c1 227038227 ZWMUTNDKOQSPPP-MRVPVSSYSA-N 265.187 0.751 10 10 CCCE C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2O)C[C@H](CO)O1 190130890 HRMZGUHGGLDCOZ-BXKDBHETSA-N 282.296 0.882 10 10 CCCE N[C@H](C(=O)O)c1c(O)ccc(O)c1Br 238644774 LHBOGIDEKRHYON-ZETCQYMHSA-N 262.059 0.945 10 10 CCCE CNC(=O)[C@@H]1CNCCN1c1ccc(OC2CC2)cc1 2162634437 BINMCKMKZANJCO-AWEZNQCLSA-N 275.352 0.752 10 10 CCCE CNC(=O)CCN(C)c1ccc2c(c1)N(C)C(=O)[C@@H]2N 723192079 OANUEZCNDXSVIY-CYBMUJFWSA-N 276.340 0.235 10 10 CCCE CO[C@@H](C)[C@@H](CC(=O)O)NC(=O)c1cccc(O)c1O 2165785413 HYVWVCYIBIHEMW-IONNQARKSA-N 283.280 0.706 10 10 CCCE C[C@H](NCC1(S(N)(=O)=O)CC1)c1c(O)cccc1O 713950315 STUCUXIIBMLJRT-QMMMGPOBSA-N 286.353 0.570 10 10 CCCE CCOC(=O)[C@H]1CCN[C@@H]1c1cc(O)nc(O)c1 1952993205 KILFCSPQEQBDEO-GZMMTYOYSA-N 252.270 0.707 10 10 CCCE O=C(NCc1c(O)cccc1F)N[C@@H]1[C@H]2COC[C@H]21 922293916 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NC(=O)C1[C@@H]2CN(C(=O)Nc3ccc(N)cc3)C[C@@H]12 2136630023 JSCDPXOARZAPBJ-NXEZZACHSA-N 260.297 0.464 10 10 CCCE Cc1nc2c(C(=O)O)cnn2c(O)c1CCC(=O)O 105374644 LXDHRGLTPWKYJH-UHFFFAOYSA-N 265.225 0.459 10 10 CCCE COCCNC(=O)CCN[C@H](C)c1cc(O)ccc1O 228350875 NASUOYDJGPJUOB-SNVBAGLBSA-N 282.340 0.901 10 10 CCCE COc1cccc(CNC[C@](C)(O)CN(C)C)c1O 228727032 WOGJOBGLDMUGGQ-AWEZNQCLSA-N 268.357 0.803 10 10 CCCE Cn1cc(CC(=O)NCc2cc(O)ccc2O)cn1 1637126317 SKSHZJYJVBILFJ-UHFFFAOYSA-N 261.281 0.690 10 10 CCCE CC(C)(C(=O)NCc1c(O)cccc1O)N1CCOCC1 1652625306 AVRWYYFQYFSELS-UHFFFAOYSA-N 294.351 0.825 10 10 CCCE COc1cccc(CNC(=O)[C@H](C)CC(N)=O)c1O 1595800383 WNDLUKLJGSQBMC-MRVPVSSYSA-N 266.297 0.529 10 10 CCCE COc1cc(N2C[C@H](CO)OC[C@@H]2C)ccc1CN 2139689872 WTHATGCGJSVPRJ-GXFFZTMASA-N 266.341 0.740 10 10 CCCE Cn1ncc(CNC(=O)c2cccc(O)c2O)c1N 126706017 UWHCMDAVIJFHDX-UHFFFAOYSA-N 262.269 0.344 10 10 CCCE CNC(=O)CCN(C)C(=O)COc1ccc(N)cc1 234326605 CLEMOHBINVMWOT-UHFFFAOYSA-N 265.313 0.242 10 10 CCCE COc1ccc(O)c([C@H](C)NCCn2cnnn2)c1 878359940 FEMKYGAOOSBWIM-VIFPVBQESA-N 263.301 0.738 10 10 CCCE NC(=O)[C@@H]1CCN(CCC(=O)Nc2ccc(N)cc2)C1 236270873 WVHWJBUUZBUACY-SNVBAGLBSA-N 276.340 0.405 10 10 CCCE Nc1ccc(OCCC(=O)NC[C@H]2CCNC2)cc1 1876526061 VEDWQYDISUZNJI-NSHDSACASA-N 263.341 0.763 10 10 CCCE C[C@H](O)c1cc(F)c(N2C[C@H](O)C[C@H]2CO)c(F)c1 1880480635 YDIFCCIFVWDERJ-UJNFCWOMSA-N 273.279 0.950 10 10 CCCE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(N=[N+]=[N-])C1 1885562068 ADRLAHRPVFYDLM-IONNQARKSA-N 299.331 0.782 10 10 CCCE CC(C)NC(=O)COC(=O)COc1ccc(N)cc1 41093682 YMCXRIMXGRCUOE-UHFFFAOYSA-N 266.297 0.715 10 10 CCCE O=C(N[C@H]1CCO[C@]12CCOC2)c1ccc(O)c(O)c1 2144688983 FDVNEGNPIJOPAZ-JSGCOSHPSA-N 279.292 0.776 10 10 CCCE COC(C)(C)[C@H](N)C(=O)NCc1ccccc1O 1969154998 SRYPISJIEWSXOB-LLVKDONJSA-N 252.314 0.761 10 10 CCCE Nc1ccc(CCC(=O)O[C@@H]2CCS(=O)(=O)C2)cc1 41101848 ZNFDVIYRWUZDTC-GFCCVEGCSA-N 283.349 0.932 10 10 CCCE C[C@H]1CN(CC(=O)Nc2ccc(N)cc2)CC[C@H]1O 253206660 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COc1cc(NS(=O)(=O)Cc2ccc(N)cc2)nn1C 312796603 QACDYODPWMEUCG-UHFFFAOYSA-N 296.352 0.953 10 10 CCCE O=c1c2c(ccn1CCN1CCC(F)(F)C1)CCNC2 2160058070 XVSKTNLVEPRCSL-UHFFFAOYSA-N 283.322 0.835 10 10 CCCE O=C(NC[C@@]1(O)CCSC1)c1cc(O)nc(O)c1 702239924 OMOMLSVGNUMXPJ-NSHDSACASA-N 270.310 0.091 10 10 CCCE CCN(C[C@@H](C)O)c1ccc2c(c1)N(C)C(=O)[C@@H]2N 691415944 MVLMUGBTLBHNMU-NOZJJQNGSA-N 263.341 0.870 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCC[C@@H]1CF 2171873776 CMDBTZTWBATWJZ-MNOVXSKESA-N 282.315 0.928 10 10 CCCE Nc1ncc(S(=O)(=O)Nc2ccc(O)cc2)cn1 722212811 KAQNNFITUOOQQD-UHFFFAOYSA-N 266.282 0.565 10 10 CCCE CNCc1ccc(N2CC[C@@H](O)[C@H](CO)C2)c(C)c1 396829292 DCBGNSQZNOIGFI-DZGCQCFKSA-N 264.369 0.894 10 10 CCCE O=C1NC(=O)[C@]2(CCN(Cc3c(O)cccc3Cl)C2)N1 768911510 AMISLCPNBMNSGB-CYBMUJFWSA-N 295.726 0.830 10 10 CCCE CN1C(=O)O[C@H]2CN(C(=O)c3ccc(O)c(O)c3)C[C@@H]21 2176924519 QOLLDMUYIWHMQD-KWQFWETISA-N 278.264 0.373 10 10 CCCE CS(=O)(=O)c1cnn(Cc2c(O)cccc2F)c1O 2070261966 JMAMBBJSZHAASZ-UHFFFAOYSA-N 286.284 0.885 10 10 CCCE C[C@@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)c1ccccc1O 2192629815 UJLNRCYKNDAYFF-SKDRFNHKSA-N 274.324 0.863 10 10 CCCE CCN(CCOCCO)C(=O)c1cc(O)c(O)c(O)c1 2188868538 SQXPWGIEDOOAMO-UHFFFAOYSA-N 285.296 0.274 10 10 CCCE Nc1ccc(NC(=O)N2C[C@H]3COC[C@@H](C2)[C@H]3O)cc1 2189048409 HZULPDVBEDXLQT-DDFAGTSDSA-N 277.324 0.740 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@H]3CC[C@]3(CO)C2)cc1 2198876999 KNDPSUZVQZHLTQ-TZMCWYRMSA-N 296.392 0.803 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CCNC[C@H]1CC(F)F 2183411870 YBGDNRWIQDCTBV-MRVPVSSYSA-N 287.266 0.562 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3C[C@H]4C[C@H](O)C[C@H]4C3)ccc21 2185195682 SBCTXPBRGALYLW-OCYKMNHNSA-N 273.336 0.846 10 10 CCCE C[C@]1(O)CCN(c2ccc(CO)cc2[N+](=O)[O-])C[C@@H]1O 2197969716 YDEWDDRIRINVOA-STQMWFEESA-N 282.296 0.409 10 10 CCCE CC1(C)C[C@H](N)CN1c1cc2c(cc1N)OCC(=O)N2 2191553338 QWCJPNFBKDURNF-QMMMGPOBSA-N 276.340 0.916 10 10 CCCE O=S1(=O)CCN(c2ccc3c(c2)CC[C@@H]3O)CC1 2065076126 DCUIPAWXFRMPEP-ZDUSSCGKSA-N 267.350 0.901 10 10 CCCE Nc1ccc(CC(=O)NC[C@@H]2CNC3(CC3)CO2)cc1 2191893141 VUEFQMCZCDMTOF-CYBMUJFWSA-N 275.352 0.449 10 10 CCCE Nc1ccc(NC(=O)NC[C@@]2(N)CCOC2)cc1 2071566360 YTDZVBTUCOIZSI-LBPRGKRZSA-N 250.302 0.508 10 10 CCCE Oc1ccc(CNC[C@@H]2CO[C@H]3COC[C@H]23)cc1O 2101839237 ISFSGSVKCJACHL-GYSYKLTISA-N 265.309 0.849 10 10 CCCE C[C@](O)(CO)[C@@H]1CCN(c2ccc(CN)cc2)C1 2082742759 FAKGVOGQJAVAFI-OCCSQVGLSA-N 250.342 0.715 10 10 CCCE CN1[C@H]2CC[C@@H]1C[C@](NCCCN=[N+]=[N-])(C(N)=O)C2 2102951304 QVGHIWJDQOCEBW-PEGIJTEDSA-N 266.349 0.757 10 10 CCCE NCc1ccc2c(c1)CCCN2CCOCC(=O)O 2106448617 XUUOPFSYEWSSOP-UHFFFAOYSA-N 264.325 0.999 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CCCC1(CO)CO 2089867391 CRRVNBNZHNNFJB-UHFFFAOYSA-N 267.281 0.057 10 10 CCCE Nc1ccc(CCN2C[C@@]3(CO)C[C@]3(CO)C2)cc1 2090113014 CERNYQGRDNYBRV-HUUCEWRRSA-N 262.353 0.488 10 10 CCCE C[C@@H](c1cc(O)ccc1O)N1CC(O)(CC(=O)O)C1 2110674869 YKPNODKSTLXZRG-QMMMGPOBSA-N 267.281 0.680 10 10 CCCE O=C(NC[C@]1(F)C[C@@H](CO)C1)c1cc(O)nc(O)c1 2112223866 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264.325 0.887 10 10 CCCE O=C1NC2(CO1)CN(C(=O)c1cccc(O)c1O)C2 2351820461 AEZTWBZWBLJJKX-UHFFFAOYSA-N 264.237 0.032 10 10 CCCE NC1C[C@@H]2CC[C@@H](C1)N2C(=O)c1cc(O)nc(O)c1 104013532 CJXNDDGYFMPKOV-UWVGGRQHSA-N 263.297 0.587 10 10 CCCE COC(=O)[C@@]1(NCCN=[N+]=[N-])CC(=O)N2CCC[C@H]21 305995953 OXIQKAWAKQGBND-GZMMTYOYSA-N 267.289 0.193 10 10 CCCE CN(C(=O)CCc1ccc(N)cc1)C(CO)CO 311024523 CVQRZWHBNKNHAP-UHFFFAOYSA-N 252.314 0.013 10 10 CCCE C[C@@H](Oc1ccc(N2CCNCC2)cc1)C(=O)NC(N)=O 35650801 UHCMAQGNXAJZIH-SNVBAGLBSA-N 292.339 0.058 10 10 CCCE C[C@H](c1ccc(O)cc1O)N1C[C@@H](O)CC12CNC2 2130064473 XYZVTMCXDNVUJQ-KOLCDFICSA-N 264.325 0.567 10 10 CCCE COC(=O)[C@@]1(NCCN=[N+]=[N-])CCCN(C)CC1 90256833 GJEAINXKLPMRBY-LLVKDONJSA-N 255.322 0.914 10 10 CCCE COc1cc(C(=O)N[C@@H]2CCN[C@@H](C)C2)cc(OC)n1 2166941341 VCYCSEHSXZSTKP-GXSJLCMTSA-N 279.340 0.969 10 10 CCCE C[C@H]1C[C@H]1N(CCO)c1cc2c(cc1N)OCC(=O)N2 2167104586 PACYQVTUMTWROZ-GZMMTYOYSA-N 277.324 0.807 10 10 CCCE O=C(CCn1ccnn1)NCc1c(O)cccc1F 928707558 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CC(C)(NC(=O)c1cccc(O)c1O)c1cnn[nH]1 1556979339 LCMVVXADXSHWAT-UHFFFAOYSA-N 262.269 0.881 10 10 CCCE CC(=O)N1CC(N[C@@H](C)c2c(O)cccc2O)C1 1926265735 IZYAUQMUHJQACM-QMMMGPOBSA-N 250.298 0.979 10 10 CCCE CN(C(=O)Cc1ccc(O)c(O)c1)C(C)(C)C(N)=O 1641421244 HZRWZSMVWZGZIM-UHFFFAOYSA-N 266.297 0.363 10 10 CCCE NCC1(C(=O)N2C(=O)CCc3cc(N)ccc32)CC1 258958242 NRUYWZJHINEEST-UHFFFAOYSA-N 259.309 0.814 10 10 CCCE CCNS(=O)(=O)CCN[C@H](C)c1c(O)cccc1O 230986072 ZXPYVGCOBVJHQS-SECBINFHSA-N 288.369 0.688 10 10 CCCE CN(C)S(=O)(=O)CCNC(=O)CCc1ccc(N)cc1 230979291 PJAJBHNLSULULO-UHFFFAOYSA-N 299.396 0.209 10 10 CCCE CC1(C)C(=O)NC(=O)CN1CCCc1ccc(N)cc1 122669716 FXSHCDYCPXRIFI-UHFFFAOYSA-N 275.352 0.938 10 10 CCCE CNC(=O)[C@@H]1CCN(c2ccc(CN)c(OC)c2)C1 2139700700 MZEPDQRJSFUABY-LLVKDONJSA-N 263.341 0.726 10 10 CCCE Nc1ccc(O[C@H]2C[C@H]3CC[C@H]2CN3C[C@@H](O)CO)cc1 259476853 HODZEVKRONHMJB-DCDXPUDHSA-N 292.379 0.854 10 10 CCCE CC(=O)CCN1C(=O)Cc2cc(N3CCNCC3)ccc21 259531516 UJDXQIJMWBJVKW-UHFFFAOYSA-N 287.363 0.964 10 10 CCCE O=C(O)C[C@@H]1CS(=O)(=O)CCN1Cc1ccccc1O 126361161 GLFXCIBEZDSUJE-LLVKDONJSA-N 299.348 0.466 10 10 CCCE CN(C)C[C@H](O)CN(C)C(=O)Cc1ccc(O)c(O)c1 2144020194 SBWBHYUHRIXLGP-NSHDSACASA-N 282.340 0.021 10 10 CCCE CN(C)CCOc1ccc(N(C)[C@@H]2COC[C@H]2O)cc1 2143481922 MXPCWKLPFKBRSS-HUUCEWRRSA-N 280.368 0.823 10 10 CCCE Nc1ccc(CC(=O)N2CCOC[C@H]2CC(=O)O)cc1 129587091 UYCVDLXVTNIBGT-GFCCVEGCSA-N 278.308 0.513 10 10 CCCE COc1ccc(O)c(CN2CCC[C@@](O)(C(=O)O)C2)c1 1964721231 AMYQJAWJTHWSRY-AWEZNQCLSA-N 281.308 0.812 10 10 CCCE C[C@@H]1CCN[C@@H]1C(=O)NCCc1ccc(O)c(O)c1 1968739746 VZMLPAFNBZKTPQ-RNCFNFMXSA-N 264.325 0.755 10 10 CCCE CN(C[C@@H]1COCCO1)c1ccc(CO)cc1[N+](=O)[O-] 1969446212 MXAZRPMWLAYLHF-LLVKDONJSA-N 282.296 0.939 10 10 CCCE O=S1(=O)CCN(Cc2ccc(F)cc2O)CC1 295312690 KVNHESBJOQDSEI-UHFFFAOYSA-N 259.302 0.762 10 10 CCCE CN1CC(CCNCc2ccc(O)c(O)c2O)C1 2028460915 DMIXXIGGOOMDEB-UHFFFAOYSA-N 252.314 0.845 10 10 CCCE Cc1cnc(=O)n(CC(=O)Nc2ccc(N)cc2)c1 63049627 BMDVUFWPIIAVTA-UHFFFAOYSA-N 258.281 0.773 10 10 CCCE C[C@H]1CN(C)CCN1c1ccc2c(c1)NC(=O)[C@H]2N 300551592 SRZLQRNDGXQKPE-ZANVPECISA-N 260.341 0.779 10 10 CCCE N[C@@H]1CN(Cc2cc(F)ccc2O)[C@@H]2COC[C@H]12 2040555911 VOSLJNMFHDAWGK-IJLUTSLNSA-N 252.289 0.689 10 10 CCCE COc1cccc(O)c1[C@@H](NC[C@H]1CCCO1)C(N)=O 2160727425 ABUUNVDPGGFGFO-NOZJJQNGSA-N 280.324 0.696 10 10 CCCE O=C(O)c1cc(S(=O)(=O)Nc2ccc(O)cc2)on1 315863993 YETZNZCKAKBOLT-UHFFFAOYSA-N 284.249 0.879 10 10 CCCE C[C@@H](C(=O)Nc1ccc(N)cc1)[S@@](=O)CC(=O)N(C)C 379874035 HYAOCZPACQVLLZ-LXGOIASLSA-N 297.380 0.433 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1C[C@H]2C[C@@H](O)[C@@H](O)[C@H]1C2 2173342537 CJLVJIPNSXORJM-HLXLPKMUSA-N 279.292 0.054 10 10 CCCE CS(=O)(=O)CCS(=O)(=O)N1CCC[C@@H]1CN=[N+]=[N-] 692808055 XDOQXJKFTJYHEI-MRVPVSSYSA-N 296.374 0.136 10 10 CCCE CNC(=O)CC1CN(C(=O)c2ccc(O)c(O)c2)C1 382281899 RQCTYINBAUHNNT-UHFFFAOYSA-N 264.281 0.306 10 10 CCCE CC1(C)CN(c2cc3c(cc2N)OCC(=O)N3)C[C@@H]1O 387532840 CLHSVNSRBZWABM-LBPRGKRZSA-N 277.324 0.807 10 10 CCCE CC1(C)CN(C(=O)c2cccc(O)c2O)C[C@@H]1N 387971715 LJDJLWHMIKYYNV-JTQLQIEISA-N 250.298 0.907 10 10 CCCE O=C1CC[C@@H](NCc2cccc(O)c2O)CCN1 396672465 ZQDLNCJCNOJBJJ-SNVBAGLBSA-N 250.298 0.856 10 10 CCCE CN1CCCc2cc([C@@H](O)CN3CC(CN)C3)ccc21 2169290061 RDVKHAZRBHOLMV-INIZCTEOSA-N 275.396 0.993 10 10 CCCE C[C@H](N[C@@H]1CCN(CC(=O)O)C1)c1cc(O)ccc1O 2169332673 YUZPATSKCOMRAV-VHSXEESVSA-N 280.324 0.907 10 10 CCCE CCN1CC[C@@H](N(C)C(=O)c2cc(O)c(O)c(O)c2)C1 2188874913 MCOXZJZOMNVGBZ-SNVBAGLBSA-N 280.324 0.970 10 10 CCCE Cn1nnc2cccc([C@H](NCCN=[N+]=[N-])C(N)=O)c21 2184273352 JOOOKROZXZOFFX-VIFPVBQESA-N 274.288 0.395 10 10 CCCE Nc1ccc(CCN2CC[C@H]3OCC(=O)N[C@@H]3C2)cc1 2185520719 FCDPKMLDBSILPQ-ZIAGYGMSSA-N 275.352 0.401 10 10 CCCE CN1CCc2cc([C@H](N)[C@H]3CCS3(=O)=O)ccc21 2044754958 RNHYYCABFRUUJJ-OLZOCXBDSA-N 266.366 0.866 10 10 CCCE CN(Cc1cccc(Cl)c1O)[C@H]1CC(=O)NC1=O 2051515779 WPKLPKAXSPCXGE-VIFPVBQESA-N 268.700 0.893 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CCO[C@H]3C[C@@H]32)cc1 2051817379 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0.195 10 10 CCCE Nc1ccc(OCCC(=O)N2C[C@H]3CNC[C@H]2C3)cc1 2191899018 QKRMKWBNMPIBFD-DGCLKSJQSA-N 275.352 0.858 10 10 CCCE CNCc1cc(F)c(N2CC(CNC(N)=O)C2)c(F)c1 2187286578 SPTDPDIOSOZVQL-UHFFFAOYSA-N 284.310 0.789 10 10 CCCE CCCNCCNC(=O)COc1ccc(N)cc1 2071723322 SCKBGZBIWGNYMB-UHFFFAOYSA-N 251.330 0.763 10 10 CCCE C[C@H]1CC(=O)N(S(=O)(=O)Cc2ccc(N)cc2)C1 2071731025 UJRREHFDPSPIRK-VIFPVBQESA-N 268.338 0.967 10 10 CCCE Cc1nsc(N(C)C(=O)C2=C[C@@H](O)[C@H](N)C2)c1C(=O)O 2188024515 ABZSRESWHKJUJU-HTQZYQBOSA-N 297.336 0.131 10 10 CCCE COCCN(Cc1ccc(F)cc1O)C1CNC1 2084072289 RXOLIVJJYBZDTN-UHFFFAOYSA-N 254.305 0.952 10 10 CCCE CO[C@@H]1CN(CC(=O)Nc2ccc(N)cc2)C[C@H]1F 2090291538 PROABSJNONQIAE-VXGBXAGGSA-N 267.304 0.876 10 10 CCCE CCC[C@H](CN)NC(=O)c1cc(OC)nc(OC)c1 2110622259 CHAODWNGQALSLG-SNVBAGLBSA-N 267.329 0.956 10 10 CCCE COc1cccc(O)c1CNCC[C@@H]1COC[C@H]1O 2111326342 RBILHQOYFJMXFA-ZWNOBZJWSA-N 267.325 0.888 10 10 CCCE C[C@H](NC(=O)c1cc(O)nc(O)c1)[C@H]1CCC[C@@H]1O 2111571121 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CN(C)c1ccc(O[C@@]2(C(=O)O)CCOC[C@@H]2N)cc1 2237686272 BWMMYWHUBIZOGE-JSGCOSHPSA-N 280.324 0.702 10 10 CCCE Nc1ccc(NC(=O)NCc2[nH]ccc(=O)c2O)cc1 2239274393 IYUFZSZDTYJZMS-UHFFFAOYSA-N 274.280 0.984 10 10 CCCE C[C@@H](CF)N(C)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 2270240886 QTANQBSGKYRWOX-WPRPVWTQSA-N 270.304 0.784 10 10 CCCE CSc1ncc(CNC(=O)[C@H](N)c2ccnn2C)s1 2269200390 MOLXHWZWBQWHPW-SECBINFHSA-N 297.409 0.915 10 10 CCCE O=C(NCCSCCO)c1cccc(O)c1O 2299215011 KEIVPSBGGWOWKC-UHFFFAOYSA-N 257.311 0.553 10 10 CCCE Cc1cccc(CNC(=O)C23CC(N)(C2)[C@H](C)O3)c1O 2280648073 REXVLMCMMWOMEM-ISAOAKOHSA-N 276.336 0.966 10 10 CCCE COc1n[nH]cc1CNC(=O)COc1ccc(N)cc1 2283807765 ZZGUEXUASUMLFM-UHFFFAOYSA-N 276.296 0.696 10 10 CCCE NC(=O)C[C@@H]1CCCN1CC(=O)Nc1ccc(N)cc1 2285585896 ULZYZSASHPDUNJ-LBPRGKRZSA-N 276.340 0.547 10 10 CCCE Nc1ccc(CCC(=O)OC[C@]2(O)CCOC2)cc1 2335612653 CQTHPWDOZSYPEJ-AWEZNQCLSA-N 265.309 0.896 10 10 CCCE O=S(=O)(CCO)CCN[C@@H]1CCc2cccc(O)c21 2335776875 OPMLREHZFJXUJM-LLVKDONJSA-N 285.365 0.376 10 10 CCCE NCc1cc(F)c(N2C[C@@H]3CS(=O)(=O)[C@H]3C2)c(F)c1 2336545107 CPYXWIUBSPCJKW-KCJUWKMLSA-N 288.319 0.657 10 10 CCCE Nc1ccc(CNC(=O)[C@H]2COC[C@@H]2C(=O)O)cc1 2338428318 SWKSMGSEMHOPHW-QWRGUYRKSA-N 264.281 0.232 10 10 CCCE Cc1ccc(CN2CCNC[C@@H]2CC(N)=O)c(O)c1 2343347129 RIKHGYOPXJDFAZ-LBPRGKRZSA-N 263.341 0.350 10 10 CCCE CC[C@@H](CO)NC(=O)CCOc1ccc(N)cc1 40303344 JYWNBBIPJCNXID-NSHDSACASA-N 252.314 0.925 10 10 CCCE Nc1ccc(OCC(=O)N2CCC[C@H](O)C2)cc1 40451900 JVQDRZMHUGKKTN-NSHDSACASA-N 250.298 0.631 10 10 CCCE O=C(O)CCNS(=O)(=O)Nc1ccc(O)cc1 527436315 SWAIMEHOPNYIDB-UHFFFAOYSA-N 260.271 0.113 10 10 CCCE Cc1ccc(C(=O)NC[C@H](O)[C@H]2CCCO2)c(O)c1O 529764032 GFOQFPRZJXDDPZ-WDEREUQCSA-N 281.308 0.676 10 10 CCCE COC(=O)[C@@H](CF)NC(=O)c1ccc(C)c(O)c1O 292510721 HOXQCKCGRAUWRQ-MRVPVSSYSA-N 271.244 0.647 10 10 CCCE Cn1ncnc1[C@@H](NN)c1ccc(N2CCCC2)cc1 2163095730 DWVMZLIPSUSUGW-ZDUSSCGKSA-N 272.356 0.968 10 10 CCCE CN[C@@H](c1ccc(N(C)C)cc1)[C@H](O)c1cnnn1C 2163132440 BUSWJZISMNOYOF-UONOGXRCSA-N 275.356 0.875 10 10 CCCE C[C@@H]1C[C@@H]1S(=O)(=O)N(CC(N)=O)Cc1ccc(N)cc1 2163667360 WMIQGBZGNXXNIZ-SKDRFNHKSA-N 297.380 0.294 10 10 CCCE CNC(=O)N1CCN(c2ccc(CN)c(C)c2)CC1 721776444 KNBDYQYRNDRKMV-UHFFFAOYSA-N 262.357 0.915 10 10 CCCE C[C@@](O)(CO)[C@@H](N)c1ccc(Br)cc1O 713766149 ZSXNVHHORJGWPF-VHSXEESVSA-N 276.130 0.898 10 10 CCCE NCC(F)(F)CC(=O)NCCc1ccc(N)cc1 846665156 GJILOPKDJDLVTN-UHFFFAOYSA-N 257.284 0.912 10 10 CCCE C[C@@H](O)c1ccc(N2CCN(C)C[C@@H]2CO)c(F)c1 699544558 SJGXLEZVXITUDR-ZYHUDNBSSA-N 268.332 0.992 10 10 CCCE COc1ccc(O)c(CN[C@H]2CCCNC2=O)c1 50394657 KWEFMDKZACWDRW-NSHDSACASA-N 250.298 0.769 10 10 CCCE CON(C)C(=O)[C@H](C)NC(=O)N(C)Cc1ccccc1O 875898022 ANIYXYRDKKUVID-JTQLQIEISA-N 295.339 0.942 10 10 CCCE Nc1ccc(CNC(=O)[C@@H](N)CCC(=O)O)cc1 83384679 JXAZWKZPGVGGOA-JTQLQIEISA-N 251.286 0.077 10 10 CCCE COc1ccc(N2CCNC[C@H]2CO)c(OC)c1 84590231 FZYXTHYEYMWYQI-JTQLQIEISA-N 252.314 0.474 10 10 CCCE O=C(N[C@H]1CCC[C@@H](O)C1)c1cc(O)nc(O)c1 694563010 VLBSCJBXIUKXJC-DTWKUNHWSA-N 252.270 0.526 10 10 CCCE CN(C)c1ccc(CNC(=O)[C@@H]2CC[C@H](CN)O2)cc1 94570175 POHZVGQMFJYAHT-KGLIPLIRSA-N 277.368 0.875 10 10 CCCE Nc1ccc(OCC(=O)N2C[C@@H]3[C@H](CO)[C@@H]3C2)cc1 2125583116 NRGTWGGGDYKCII-CLLJXQQHSA-N 262.309 0.344 10 10 CCCE O=C(O)c1cnn2c(O)cc(CN3CCCC3)nc12 1328730571 OJQGAVDJWMLLSV-UHFFFAOYSA-N 262.269 0.729 10 10 CCCE NC(=O)c1cccc(N)c1N[C@@H]1CCC[C@H]1C(N)=O 2117470289 FBPVZDHCVYUPEE-GMSGAONNSA-N 262.313 0.434 10 10 CCCE C[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@@H](CO)O1 1625294173 AWOSFHUHQOXKDE-ONGXEEELSA-N 281.308 0.249 10 10 CCCE CN1C(=O)[C@H](O)c2ccc(N3CC=C[C@H]3CO)cc21 2119853214 MRJFEYKBMFCQFV-GXFFZTMASA-N 260.293 0.434 10 10 CCCE O=C1N[C@@H]2CN(Cc3cc(F)cc(F)c3O)C[C@@H]2O1 2120407903 WKULDMHJBPEHHW-ZJUUUORDSA-N 270.235 0.963 10 10 CCCE OC[C@@H]1C[C@H](NCc2cc(Cl)ccc2O)[C@@H](O)[C@@H]1O 2121474515 MGDUIKZVDCUZSM-LOHPEHISSA-N 287.743 0.238 10 10 CCCE O=C(NC[C@H](O)C(F)(F)F)c1cc(O)c(O)c(O)c1 2132348249 HHXFMOKCSRDKEM-ZETCQYMHSA-N 281.186 0.456 10 10 CCCE NC[C@H]1C=CCCN1C(=O)c1cc(O)c(O)c(O)c1 2132401130 RPQLZINGFUGCDZ-SECBINFHSA-N 264.281 0.533 10 10 CCCE Nc1ccc(CCN2C[C@H]3COC[C@@H](C2)[C@@H]3O)cc1 2132548356 SPFXZGLKTGQTMY-NHAGDIPZSA-N 262.353 0.750 10 10 CCCE CN[C@@H]1CCc2cc(N3CC[C@@H](O)[C@H](O)C3)ccc21 2132138993 XGSSAKCGEWWPQL-RBSFLKMASA-N 262.353 0.825 10 10 CCCE Nc1ccc(CCNC(=O)C(=O)NC2C[C@@H]3C[C@H]3C2)cc1 1345594573 FSXCOOCUESKSIC-RYUDHWBXSA-N 287.363 0.842 10 10 CCCE CC1(C(=O)N2CCC[C@H](CN=[N+]=[N-])C2)CS(=O)(=O)C1 1912179307 SOULPWWLRMTZIA-SECBINFHSA-N 286.357 0.970 10 10 CCCE CN(CCN=[N+]=[N-])C(=O)Cn1nc2ccccn2c1=O 1912180351 ZNQLQDVUIHHFMY-UHFFFAOYSA-N 275.272 0.265 10 10 CCCE [N-]=[N+]=NC[C@H]1CCN(CC(=O)NC[C@H]2CCCO2)C1 1912175624 NZKZZANRSGOXAN-GHMZBOCLSA-N 267.333 0.914 10 10 CCCE CN(C1CC(O)C1)S(=O)(=O)Cc1ccc(N)cc1 1914588802 ZRUWDGFGUJKMSR-UHFFFAOYSA-N 270.354 0.554 10 10 CCCE CN(c1cc2c(cc1Cl)[C@H](N)C(=O)N2)[C@@H]1CCNC1=O 1916802963 YFSZUFTXLLBLBA-KOLCDFICSA-N 294.742 0.617 10 10 CCCE NC(=S)C1CC(NC(=O)c2ccc(O)c(O)c2)C1 1917754836 HFSHHDZUGFLWON-UHFFFAOYSA-N 266.322 0.892 10 10 CCCE CC1(NCc2cc3c(cc2O)OCO3)CS(=O)(=O)C1 1918374968 AYGOQNGOFKDORU-UHFFFAOYSA-N 285.321 0.398 10 10 CCCE NCc1ccc(N2CC[C@@H](O)C[C@H]2CO)c(F)c1F 2136083698 FQUNTCGEMPKABL-VHSXEESVSA-N 272.295 0.746 10 10 CCCE CC(=O)N1CCC[C@@H](C(=O)NCc2cc(O)ccc2O)C1 1471661156 SHCIKBHWIUCSNJ-LLVKDONJSA-N 292.335 0.973 10 10 CCCE CNC[C@H]1C(=O)NCCCN1c1ccc(OC)cc1 216994508 JDPIFSMZYKTKKB-ZDUSSCGKSA-N 263.341 0.610 10 10 CCCE CC1(C)CN(c2ccc3c(c2)OCO3)C[C@@H](O)CN1 217099873 JUWOLHKAMIDHSC-NSHDSACASA-N 264.325 0.964 10 10 CCCE COc1ccc(CNC(=O)C[C@H]2CC(=O)NC2=O)c(O)c1 1639456083 WPWAKYMIRABYCZ-VIFPVBQESA-N 292.291 0.070 10 10 CCCE CNCC(C)(C)CNS(=O)(=O)Cc1ccc(N)cc1 2137707919 GHTNMWWDTDJSHH-UHFFFAOYSA-N 285.413 0.934 10 10 CCCE Oc1cc(F)ccc1CN[C@@]12CC[C@@H](C1)[C@@H](O)[C@@H]2O 2139886801 FSEXKRUTQHALFB-ISTUKMMPSA-N 267.300 0.895 10 10 CCCE Nc1cc2c(cc1N1CC[C@@H](CO)C1)NC(=O)CO2 161527001 VNSMGCRKWOESGQ-MRVPVSSYSA-N 263.297 0.418 10 10 CCCE CN(C)c1ccc(/C=C/C(=O)N2CCOC[C@@H]2CO)cc1 168569207 MAFXDZONBCKFSZ-PXTSUWAFSA-N 290.363 0.986 10 10 CCCE Nc1ccc(CCN2CCOC[C@@H]2C(=O)NC2CC2)cc1 159411418 FCSFFFKGYNRKCJ-OAHLLOKOSA-N 289.379 0.791 10 10 CCCE CO[C@H]1CCN(C(=O)c2cccc(O)c2O)[C@@H](CN)C1 126727178 QUAIERLCYWHZQJ-ZJUUUORDSA-N 280.324 0.676 10 10 CCCE CN(C(=O)CN1CCOCCO1)c1ccc(N)cc1 1899654289 RIHKKGCCBXTGAE-UHFFFAOYSA-N 265.313 0.495 10 10 CCCE C[C@@H]1C[C@H](N)CCN1C(=O)COc1ccc(N)cc1 1876444628 SAXAGJJXAIWBRU-ZYHUDNBSSA-N 263.341 0.986 10 10 CCCE C[C@H](NC(=O)C1(O)CCNCC1)c1ccccc1O 1877586378 AMMDUIZIXBRDMK-JTQLQIEISA-N 264.325 0.684 10 10 CCCE CN(C)c1ccc([C@@H](N)[C@H](O)c2nnnn2C)cc1 1885441250 FMCCUJFAAVJJOD-MNOVXSKESA-N 262.317 0.010 10 10 CCCE C[C@@H](CN1CCOCC1)NCc1cccc(O)c1O 41116903 OLYLKBJPGABKDZ-NSHDSACASA-N 266.341 0.908 10 10 CCCE CN(C(=O)CN1C[C@@H]2[C@@H](CO)[C@@H]2C1)c1ccc(N)cc1 2146873378 SWURVMKVKFKINT-WDNDVIMCSA-N 275.352 0.402 10 10 CCCE CCN(Cc1ccc(N)cc1)S(=O)(=O)CC(=O)OC 49061436 MOCICNREAMEJFW-UHFFFAOYSA-N 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C[C@H](N)c1cc(F)c(N2CC[C@](O)(C(N)=O)C2)c(F)c1 2194706271 BHCPKAGHNMNJDS-WPPNPWJKSA-N 285.294 0.411 10 10 CCCE Nc1ccc(OCCN2C[C@@H](F)[C@H](CO)C2)cc1 2057001930 JXYMKNLGDSVRQC-GXFFZTMASA-N 254.305 0.910 10 10 CCCE NC[C@@H]1C[C@@H]1CNS(=O)(=O)CCOc1ccc(N)cc1 2191635406 QNUIAHNZTBZWDH-WDEREUQCSA-N 299.396 0.162 10 10 CCCE C[C@H](Cn1cnnc1)NCc1cc2c(cc1O)OCO2 2186701815 BDQAWNDXKNLDOV-SECBINFHSA-N 276.296 0.891 10 10 CCCE CCC[C@@H](NC(=O)c1cccc(O)c1O)C(N)=O 2066395157 OLMMMCSNMXQJOP-MRVPVSSYSA-N 252.270 0.482 10 10 CCCE COCC1(NC(=O)Nc2ccc(N)cc2)CNC1 2071567073 OKWMQZRJQDIUHO-UHFFFAOYSA-N 250.302 0.379 10 10 CCCE N[C@@H](CNC(=O)c1cc(O)nc(O)c1)C1CCC1 2082413875 SWPJYXAXWZWTKH-VIFPVBQESA-N 251.286 0.350 10 10 CCCE NCc1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CF)cc1F 2084796022 ZYVVIENSLDYRED-WOPDTQHZSA-N 258.268 0.164 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@H]2C[C@H]3COC[C@H]32)cc1 2087565456 BQPLPEAGBRRKJL-CYZMBNFOSA-N 282.365 0.723 10 10 CCCE Oc1ccc(CN[C@@H]2CCn3ncnc3C2)cc1O 2108916340 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Nc1ccc(O)c(CN2CC[C@@H]3C[C@H]2[C@H](O)[C@@H]3O)c1 2332599656 SZPUGPIFKRVZFU-VAYSNVFOSA-N 264.325 0.290 10 10 CCCE COc1ccc(N2CCNC[C@@H]2CC(N)=O)cc1C 2343262976 SQILEPVMRDGNDM-LBPRGKRZSA-N 263.341 0.657 10 10 CCCE CC1(C)[C@H](N)CCN1C(=O)COc1ccc(N)cc1 2352396787 RDLGQMYWOOIZEJ-GFCCVEGCSA-N 263.341 0.986 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@@H]2CC[C@H](C1)N2 2353895838 KLYLUVULFCVPHM-NWDGAFQWSA-N 276.336 0.993 10 10 CCCE CCN(Cc1ccc(N)cc1)C(=O)CS(C)(=O)=O 70127319 ZJSPEENJBWGRDR-UHFFFAOYSA-N 270.354 0.662 10 10 CCCE NCCCN(C=O)C(=O)Nc1cc(O)c(O)c(O)c1 217278864 BMMMHHUMPGFJOZ-UHFFFAOYSA-N 269.257 0.143 10 10 CCCE O=C(NC[C@H](O)C(F)(F)F)c1cc(O)nc(O)c1 236541416 ODWFRCSVTPOFJW-YFKPBYRVSA-N 266.175 0.146 10 10 CCCE CC[C@H](OC(=O)COc1ccc(N)cc1)C(N)=O 61678529 WKGVPZBCNVVRIP-JTQLQIEISA-N 252.270 0.455 10 10 CCCE COC(=O)CCCNCc1ccc(O)c(O)c1O 83408697 KQZDEMHKXUQWNZ-UHFFFAOYSA-N 255.270 0.846 10 10 CCCE O=C(N[C@@]1(C(=O)O)CCOC1)c1ccc(O)c(O)c1 236449242 CMJFHRFZQIRHDX-LBPRGKRZSA-N 267.237 0.071 10 10 CCCE [N-]=[N+]=NCCCN[C@]1(C(=O)O)CCN2CC[C@H]1C2 97842824 XLJHUDYYBSGNPS-GXSJLCMTSA-N 253.306 0.825 10 10 CCCE CC1(C)[C@@H](NC(=O)c2ccc(O)c(O)c2)C[C@H]1N 232811683 SPPOBHSLPPTIRI-MNOVXSKESA-N 250.298 0.953 10 10 CCCE Nc1ccc(OCCCN2C[C@H](O)[C@@H](O)C2)cc1 236370789 BOONMSSSZNENAT-STQMWFEESA-N 252.314 0.075 10 10 CCCE COC(=O)[C@H](N)Cc1cc(O)c(O)c(Br)c1 260344039 YUPKEJKPBLPJNK-SSDOTTSWSA-N 290.113 0.903 10 10 CCCE COc1cc(O)c(CN2CCN(C)CC2)cc1C(=O)O 642880480 UNLDVAPSACMVTB-UHFFFAOYSA-N 280.324 0.846 10 10 CCCE CC(=O)C(=O)COc1ccc([N+](=O)[O-])cc1C=O 808016044 UJZBQUCBSSQRLM-UHFFFAOYSA-N 251.194 0.944 10 10 CCCE COc1cc(C(=O)N[C@@H](C)CC(=N)NO)cc(OC)n1 2166934359 GQYCPTVPTBSLQE-ZETCQYMHSA-N 282.300 0.563 10 10 CCCE CC(=O)C(=O)COC(=O)c1ccc(C(=O)N(C)C)cc1 808513835 NBGZOBIZRWVMPT-UHFFFAOYSA-N 277.276 0.703 10 10 CCCE Oc1cccc(CNC[C@@H]2C[C@@H]3COC[C@H]3O2)c1O 724620795 LKZNDCOKJCCZQW-NTZNESFSSA-N 265.309 0.991 10 10 CCCE O=S1(=O)C[C@@H](c2cc(F)cc(F)c2O)NCCN1 1952719774 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CN(Cc1cn(C)nn1)c1ccc([N+](=O)[O-])c(CO)c1 689212646 YYWIUYBODDNRHN-UHFFFAOYSA-N 277.284 0.852 10 10 CCCE CN1CCN(C(=O)c2cccc(O)c2O)[C@H](C(N)=S)C1 708568770 UCASYJSLVHUBKW-VIFPVBQESA-N 295.364 0.140 10 10 CCCE C[C@H](O)c1ccc(N(C)CC(C)(CO)CO)cc1O 689302626 YMXYHHVFFHRYLE-JTQLQIEISA-N 269.341 0.873 10 10 CCCE O=C(CN1C[C@H]2COC[C@H]2C1)c1ccc(O)c(O)c1 718223864 JHGINWISBLRZRD-PHIMTYICSA-N 263.293 0.859 10 10 CCCE Cn1cc(CC(=O)NCc2cc(N)ccc2O)cn1 695023205 HAFIQMMHRUDVAS-UHFFFAOYSA-N 260.297 0.567 10 10 CCCE CN1CCN(CCOc2ccc(N)cc2)[C@@H](CO)C1 699458749 SSIITBVLCAMEBD-CYBMUJFWSA-N 265.357 0.256 10 10 CCCE CC(C)S(=O)(=O)CC(=O)NCc1cc(O)ccc1O 1303223465 QSTHNZOMUSASCM-UHFFFAOYSA-N 287.337 0.537 10 10 CCCE [N-]=[N+]=NC1CN(CCCC(=O)N2CCOCC2)C1 1912206802 IJMGWFMZOKKLLV-UHFFFAOYSA-N 253.306 0.620 10 10 CCCE C[C@@H]1[C@H](O)CCN1C(=O)[C@H]1CNc2ccccc2N1 1914430964 SLCKJNKIKAVASY-OASPWFOLSA-N 261.325 0.874 10 10 CCCE COc1cc(N2C[C@@H](O)C[C@@H](O)C2)c([N+](=O)[O-])cc1OC 1458226665 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COc1ccc(N2CC[C@H]3C[C@H]2[C@H](O)[C@H]3O)c(C=O)c1 2235983405 OIJUZPRSLTZPDV-BCZWGYKPSA-N 277.320 0.828 10 10 CCCE O[C@H]1COC2(CN(c3ccc4c(c3)CCC4)C2)[C@H]1O 2226752995 QPSVOETULIKSFQ-KBPBESRZSA-N 261.321 0.486 10 10 CCCE CCOc1ccc(N2CC3(C2)OC[C@@H](O)[C@H]3O)cc1 2226749736 SSVHBTSWYQIILJ-CHWSQXEVSA-N 265.309 0.396 10 10 CCCE COc1ccc(N(CCO)CCN(C)C)c(C=O)c1 2227709708 WZMRDKNPSVEWAJ-UHFFFAOYSA-N 266.341 0.868 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)Nc1ncco1 2277869645 FGAHOFZSTQGKES-QMMMGPOBSA-N 263.253 0.594 10 10 CCCE Cc1cc(N2C[C@H](O)C[C@@H](O)C2)ccc1[C@H](C)N 2257459793 YJUKXLXJNJBPHG-CYZMBNFOSA-N 250.342 0.947 10 10 CCCE CSc1ncc(CN=c2[nH]nc(CCN)o2)s1 2248684915 IKQFKXYCRVUXDH-UHFFFAOYSA-N 271.371 0.783 10 10 CCCE CO[C@@H]1[C@H](O)C[C@H]1N[C@@H](C)c1cc(O)ccc1O 2258673486 LRAGMPFLYWYGLU-RZOYXHMNSA-N 253.298 0.897 10 10 CCCE CSc1ncc(CNC[C@H]2CNC[C@@H](O)C2)s1 2248739001 CHPRVJNZKOOSFI-BDAKNGLRSA-N 273.427 0.925 10 10 CCCE CSc1ncc(CNCC[C@@H]2CNC[C@@H]2O)s1 2248745747 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261.325 0.939 10 10 CCCE O=C(N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2O)c1ccc(O)c(O)c1 2330898361 YMHXOMPPXVNVSC-GUDRVLHUSA-N 263.293 0.987 10 10 CCCE C[C@@H](c1cc(O)ccc1O)N1C[C@@H](O)[C@H](CC(=O)O)C1 2355446632 ZTZPJAFUJMYEOC-IGJMFERPSA-N 281.308 0.926 10 10 CCCE C[C@H](O)CCN(C)C[C@H](O)COc1ccc(N)cc1 135528907 LMMRRBQGXKXFIA-AAEUAGOBSA-N 268.357 0.711 10 10 CCCE Nc1ccc(OCC(=O)N[C@@H]2C[C@@H]3C[C@H]2C[C@@H]3N)cc1 2357175162 TYQURDGHYOTNPI-TXFQPVFDSA-N 275.352 0.890 10 10 CCCE CN(C)C(=O)CN(C)C(=O)Nc1ccc(N)cc1 35408217 DLYSSGVVOYLCDH-UHFFFAOYSA-N 250.302 0.821 10 10 CCCE NC(=O)[C@@H]1CCN(C(=O)c2cccc(O)c2O)C1 229046460 XPMPCINQCYEPRL-SSDOTTSWSA-N 250.254 0.045 10 10 CCCE CCOC(=O)C1(N)CC(c2cc(O)c(O)c(O)c2)C1 1952489792 WAJKWIHZARCWAV-UHFFFAOYSA-N 267.281 0.941 10 10 CCCE CCOC(=O)[C@@H](NCCN=[N+]=[N-])c1cnn(C)c1 90257356 MGXYGTIRJMNZRQ-VIFPVBQESA-N 252.278 0.924 10 10 CCCE C[C@@](O)(C(=O)O)[C@H](N)c1ccc(Br)cc1O 713742217 JERTZKNWWSQDRS-SCZZXKLOSA-N 290.113 0.990 10 10 CCCE CNC(=O)c1ccc(NCCc2ccc(O)c(O)c2)nn1 749286878 CBLCAYUUJVVBAB-UHFFFAOYSA-N 288.307 0.902 10 10 CCCE NCc1cc(F)c(N2C[C@@H]3[C@H](CO)CO[C@H]3C2)c(F)c1 2178088884 ZXOLPKAXIUSRKK-BREBYQMCSA-N 284.306 0.867 10 10 CCCE CNC(=O)CC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855228129 VTAPZLCXRBZBIO-LLVKDONJSA-N 291.351 0.526 10 10 CCCE CN(C(=O)CN1[C@H]2COC[C@H]1C2)c1ccc(N)cc1 1899668071 GDUDWEHZTDMHTD-CHWSQXEVSA-N 261.325 0.705 10 10 CCCE O=CN1CCC[C@@H]1C(=O)N1Cc2cccc(O)c2C1 871205444 SSOHQNACSHBNKY-GFCCVEGCSA-N 260.293 0.855 10 10 CCCE CC(C)CNC(=O)CS(=O)(=O)Cc1ccc(N)cc1 58236939 PPSARPGDEDXLLO-UHFFFAOYSA-N 284.381 0.956 10 10 CCCE O=C(/C=C/c1ccc(O)c(O)c1)N1C[C@H](O)C[C@H]1CO 775393454 BXAUDEAWAIKJKE-OVXAFGJRSA-N 279.292 0.065 10 10 CCCE CCN(CC(=O)NCCOC)c1ccc(N)cc1 63114615 UYVZZDDIFYSQDH-UHFFFAOYSA-N 251.330 0.858 10 10 CCCE CC(C)CCNC(=O)[C@H](N)c1ccc(O)c(O)c1O 83497430 FRGYVOCTRSHPJW-SNVBAGLBSA-N 268.313 0.966 10 10 CCCE O=C(O)[C@H](c1ccc(O)c(O)c1)N1C(=O)C=CC1=O 83457870 SPMVIQCIQGYEOV-NSHDSACASA-N 263.205 0.149 10 10 CCCE CC(=O)C(=O)[C@@H](O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 1883941261 XJWGSAYOFQKSPT-KOLCDFICSA-N 287.312 0.141 10 10 CCCE C[C@H](CCO)N(C)CC(=O)Nc1ccc(N)cc1 1917033955 OAGDOIHIULSUKQ-SNVBAGLBSA-N 251.330 0.910 10 10 CCCE OCC1(O)CN(c2ccc(CNC3CC3)cc2F)C1 2115304320 WDNCPYHXVFQHDN-UHFFFAOYSA-N 266.316 0.621 10 10 CCCE C[C@@H](c1ccccc1O)N1CC(O)([C@@H](F)C(=O)O)C1 2115649251 DVTKDXMMJRGNKM-KWQFWETISA-N 269.272 0.923 10 10 CCCE CN(CCOc1ccc(N)cc1)[C@@H]1CCC(=O)NC1 2127092182 AJWWUMUSQCJOKP-GFCCVEGCSA-N 263.341 0.858 10 10 CCCE N[C@H](Cc1ccc(O)c(O)c1)C(=O)O[C@@H]1CC1(F)F 2126307075 KVSJQXITNMKTFL-GMSGAONNSA-N 273.235 0.918 10 10 CCCE Nc1ccc(NC(=O)NCC[C@H]2CNC(=O)C2)cc1 1332433961 LIBYPDAFZPRGDW-SECBINFHSA-N 262.313 0.917 10 10 CCCE NC[C@@H]1C[C@H](F)CN1C(=O)c1cc(O)c(O)c(O)c1 2132413838 QQPYKGJWPGNPIZ-YUMQZZPRSA-N 270.260 0.315 10 10 CCCE C[C@H]1CN(C[C@H](O)COc2ccc(N)cc2)CCN1C 110700797 IUIXCXQHQDMDID-JSGCOSHPSA-N 279.384 0.644 10 10 CCCE O=C(Cn1ccc([N+](=O)[O-])n1)NCc1ccc(O)cc1O 1469158585 CIYBYIJVIFKEAZ-UHFFFAOYSA-N 292.251 0.519 10 10 CCCE COCCc1nnnn1CCOc1ccc(N)cc1 213338113 YHEHHRIQMFLHON-UHFFFAOYSA-N 263.301 0.523 10 10 CCCE [N-]=[N+]=NCCC(=O)N1C[C@H]2COCC[C@]2(C(=O)O)C1 1615002203 ROKZBQCOKDXQEQ-KWQFWETISA-N 268.273 0.637 10 10 CCCE Cn1cccc1C(=O)C(=O)NCc1ccc(O)cc1O 1639444507 NTAZPOFVTJLEMX-UHFFFAOYSA-N 274.276 0.935 10 10 CCCE CCN(CC)c1ccc(CNC(=O)C2(O)COC2)cc1 1596578865 SDBWMAHKWMBOLH-UHFFFAOYSA-N 278.352 0.910 10 10 CCCE NCc1nnc(NC(=O)Cc2ccc(O)c(O)c2)o1 2138793859 OSLRVZNXNKKGAS-UHFFFAOYSA-N 264.241 0.121 10 10 CCCE Nc1ncc(NCCc2ccc(O)c(O)c2)nc1N 2141460836 AEXWXQQPHVPISJ-UHFFFAOYSA-N 261.285 0.707 10 10 CCCE C[C@H](NC(=O)[C@@H](N)CCC(N)=O)c1ccccc1O 2141229942 WDUYHXSGSLAVHC-WPRPVWTQSA-N 265.313 0.162 10 10 CCCE CN1C[C@H](NCc2cc(Cl)ccc2O)[C@H](O)C1 1942693120 MEVJVGVHAQYIOA-CMPLNLGQSA-N 256.733 0.810 10 10 CCCE C[C@H]1CO[C@@H](CN)CN1C(=O)c1ccc(O)c(O)c1 235626205 SEQPXLGEPKKCSW-WPRPVWTQSA-N 266.297 0.286 10 10 CCCE C[C@]1(O)CCN(c2cc3c(cc2N)OCC(=O)N3)C1 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CN(Cc1ccc(O)cc1O)[C@H]1COC[C@H]1C(=O)O 250227067 KOZSQMJPQDGZHV-MNOVXSKESA-N 267.281 0.629 10 10 CCCE CNCc1ccc(N2C[C@@H](O)[C@H](OC)C2)c(C)c1 396029685 ZGLVDHMISBSESI-ZIAGYGMSSA-N 250.342 0.910 10 10 CCCE CNc1nc(C)ccc1C(=O)OCC(=O)C(C)=O 808503800 MSIHEBWJLXZEBL-UHFFFAOYSA-N 250.254 0.747 10 10 CCCE Oc1ccc(CNC[C@@H]2C[C@@H]3COC[C@@H]3O2)cc1O 724564720 XSCNMMNCRNOQTJ-SUNKGSAMSA-N 265.309 0.991 10 10 CCCE CNC(=O)N1CCN(c2ccc(CO)cc2C)CC1 721686192 HKYROWKFKUXFET-UHFFFAOYSA-N 263.341 0.949 10 10 CCCE CN1CCN(c2c(F)cc(CN)cc2F)[C@H](CO)C1 699479512 SCKHWCURDRURIL-JTQLQIEISA-N 271.311 0.536 10 10 CCCE COCCS(=O)(=O)NNc1nc2cccnc2s1 857225687 QELYDYILCJHHGE-UHFFFAOYSA-N 288.354 0.584 10 10 CCCE Cn1c(CO)nnc1SCC(=O)c1ccc(O)c(O)c1 769871153 CQIIVJIDNFMJFW-UHFFFAOYSA-N 295.320 0.694 10 10 CCCE CCN1CCN(CC(=O)N2Cc3cccc(O)c3C2)CC1 871203087 RSEWQKXXSWGQPP-UHFFFAOYSA-N 289.379 0.872 10 10 CCCE C[C@H]1CN([C@@H](C)C(N)=O)c2cc3c(cc2N1)OCO3 76928829 YBZBUXZNGISXRL-YUMQZZPRSA-N 263.297 0.910 10 10 CCCE N[C@@H](C(=O)NCc1ccc[nH]1)c1cccc(O)c1O 83444376 RHMOMZBXVDGAMK-LLVKDONJSA-N 261.281 0.742 10 10 CCCE Nc1ccc(CNC(=O)[C@@H](N)Cc2c[nH]cn2)cc1 83432428 PUKMABOEAJZCRI-LBPRGKRZSA-N 259.313 0.178 10 10 CCCE N[C@@H](C(=O)NCCCCCO)c1cc(O)ccc1O 83497423 IDMGFANHFUKAKY-GFCCVEGCSA-N 268.313 0.376 10 10 CCCE NC(=O)N[C@@H]1CCN(CCCc2ccc(N)cc2)C1 690719896 AZQWLFGQTGEMGK-CYBMUJFWSA-N 262.357 0.944 10 10 CCCE CN(C)C[C@H](CO)NC(=O)CCOc1ccc(N)cc1 716723287 MARFVDYDTMTKAS-GFCCVEGCSA-N 281.356 0.076 10 10 CCCE COC[C@@](C)(CO)NS(=O)(=O)Cc1ccc(N)cc1 716966804 DVFGQSHSVNFFLP-GFCCVEGCSA-N 288.369 0.086 10 10 CCCE CC(C)S(=O)(=O)CC(=O)NCc1c(O)cccc1O 1156880975 KGQLNHFHJRTEAU-UHFFFAOYSA-N 287.337 0.537 10 10 CCCE O=C1CC[C@@H](NCc2cc3c(cc2O)OCO3)C(=O)N1 89756087 RBKUKMIXZGAKPG-MRVPVSSYSA-N 278.264 0.016 10 10 CCCE C[C@H]1CCN(C(=O)c2cccc(O)c2O)[C@H](C(N)=O)C1 1154942801 PMSAQJVLPWRKDW-WPRPVWTQSA-N 278.308 0.824 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CCC=C[C@@H]1CO 2125951223 MNNCQOCVYGDRBE-LLVKDONJSA-N 263.293 0.790 10 10 CCCE C[C@H](c1c(O)cccc1O)N1CC[C@H](N)[C@@H](CO)C1 2122391535 LRCVAJGJJRBZIP-MXWKQRLJSA-N 266.341 0.800 10 10 CCCE COc1ccc(N2CC[C@@H](N)[C@H](CO)C2)cc1OC 2122389277 CVWBEFCJIDQAIN-CMPLNLGQSA-N 266.341 0.850 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CCC[C@H]1[C@H](O)CO 2123158957 ZDQYHKLQWWHHKF-JOYOIKCWSA-N 267.281 0.056 10 10 CCCE CN(CCS(C)(=O)=O)c1ccc(CO)c([N+](=O)[O-])c1 2132054063 NVSCSBPKNQMOEF-UHFFFAOYSA-N 288.325 0.568 10 10 CCCE C[C@@H]1CC[C@H](O)CN1C(=O)c1cc(O)c(O)c(O)c1 2132348456 LWAXXUIXFNAJII-APPZFPTMSA-N 267.281 0.789 10 10 CCCE COCCS(=O)(=O)N1CCC(CN=[N+]=[N-])CC1 1912181153 KNRZSSHQIRYDKO-UHFFFAOYSA-N 262.335 0.985 10 10 CCCE CO[C@@H]1CS(=O)(=O)C[C@@H]1N(C)CCCCN=[N+]=[N-] 1912182444 BQXWBTOZFCOUCH-VHSXEESVSA-N 276.362 0.821 10 10 CCCE CN1C[C@@H]2[C@@H](CCC[C@]2(NCCN=[N+]=[N-])C(N)=O)C1 1912165896 PYOJXCPYZROUAV-HOSYDEDBSA-N 266.349 0.472 10 10 CCCE COC(=O)CCCNC(=O)CN(C)CCN=[N+]=[N-] 1912190416 DAUGSOSHFFFINP-UHFFFAOYSA-N 257.294 0.298 10 10 CCCE COC(=O)[C@@]1(NCCN=[N+]=[N-])CC[C@@H]2CN(C)C[C@@H]21 1912209275 ZZYLKJIBICODTG-JFGNBEQYSA-N 267.333 0.770 10 10 CCCE C[C@@]1(C(=O)O)CCN1C(=O)Cc1ccc(O)c(O)c1 1912438413 BJFHPDKPZSHHJA-ZDUSSCGKSA-N 265.265 0.716 10 10 CCCE C[C@@H](NS(=O)(=O)CCC1CNC1)c1ccccc1O 2134978900 LEERHLUCOVUONK-SNVBAGLBSA-N 284.381 0.982 10 10 CCCE CN1CCN(C(=O)c2cccc(O)c2O)C[C@@H]1C(N)=S 1914924513 YPRHZYOKCJVGAG-SECBINFHSA-N 295.364 0.140 10 10 CCCE COC(=O)C(NCc1cccc(C)c1O)C(=O)OC 106297444 FPUGXJDCXVURJA-UHFFFAOYSA-N 267.281 0.505 10 10 CCCE COc1cccc(CNC(=O)c2cnnc(O)c2)c1O 1545682148 TUURHKIEIMQJHI-UHFFFAOYSA-N 275.264 0.826 10 10 CCCE O=C(CNC(=O)Cc1ccc(O)c(O)c1)NCC(F)F 1626466718 DZDKNHUEQVCNKG-UHFFFAOYSA-N 288.250 0.138 10 10 CCCE N[C@@H]1C[C@@H]2C[C@@H](NC(=O)c3cc(O)nc(O)c3)C[C@@H]12 2137367227 BPLXGMLRGVHLRZ-JZKKDOLYSA-N 263.297 0.348 10 10 CCCE Cc1cc(O)nc(CNC(=O)c2cccc(O)c2O)n1 1557322143 XQUVOGMDVOTFLX-UHFFFAOYSA-N 275.264 0.832 10 10 CCCE C[C@](O)(CO)[C@@H]1CCN(Cc2cc(N)ccc2O)C1 2138104387 RQFKEDAOVZHTKL-RISCZKNCSA-N 266.341 0.540 10 10 CCCE NC(=O)c1cc(C(=O)N2Cc3cccc(O)c3C2)c[nH]1 1643169290 PVCJWEOEDKDTJS-UHFFFAOYSA-N 271.276 0.975 10 10 CCCE C[C@H](NC(=O)Cn1ccc(O)nc1=O)c1ccccc1O 1648892137 NJRWHMVYBBYLNQ-VIFPVBQESA-N 289.291 0.532 10 10 CCCE O=C(NCCSCCCO)c1cc(O)nc(O)c1 230769471 GZBWREQNUMVSNJ-UHFFFAOYSA-N 272.326 0.338 10 10 CCCE COc1cc(N2CC[C@@H](O)[C@@H](CO)C2)ccc1CN 2139701820 XQQLLYHXVIPJSE-DGCLKSJQSA-N 266.341 0.333 10 10 CCCE CN(c1cccnc1)c1nc(N)nc2c1CNCC2 258905037 UXWOXZFHORSBMK-UHFFFAOYSA-N 256.313 0.867 10 10 CCCE Oc1ccc(CN[C@@H]2CN3CCC2CC3)c(O)c1O 236595634 UWNUQHWUIHAQPK-LLVKDONJSA-N 264.325 0.987 10 10 CCCE CN(C(=O)Nc1ccc(N)cc1)[C@@]1(CN)CCOC1 1876148412 FQKUOMBXQVUBRK-CYBMUJFWSA-N 264.329 0.850 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@H]2[C@@H]3CCCN[C@H]32)cc1 1876454727 XAVOOGDARDZSKF-JHJVBQTASA-N 281.381 0.439 10 10 CCCE O=C(N[C@@H]1CCN[C@H]1C1CC1)c1cccc(O)c1O 1885865655 KUGXDLDYEDSHDY-PWSUYJOCSA-N 262.309 0.968 10 10 CCCE O=C(NCc1ccccc1O)[C@@H]1CO[C@@H]2COC[C@@H]21 1964887901 BMIDOOIRLGBJEX-NQBHXWOUSA-N 263.293 0.670 10 10 CCCE Nc1ccc(OCCNC(=O)CN2CCOCC2)cc1 2148797025 ICYARFXSIJFMQX-UHFFFAOYSA-N 279.340 0.096 10 10 CCCE CO[C@H](Cn1ccc2c(c1=O)CNCC2)[C@H]1CCOC1 2150794717 BIFSURXGLZUGRK-GXTWGEPZSA-N 278.352 0.546 10 10 CCCE C[C@@H](C[C@@H]1COCCN1)NCCc1ccc(O)c(O)c1 2148014274 AHXKQAONHZIDAJ-WCQYABFASA-N 280.368 0.997 10 10 CCCE CN(c1ccc(N)cc1)S(=O)(=O)c1nc[nH]n1 2009243859 NZHZHXPYYKQUNJ-UHFFFAOYSA-N 253.287 0.212 10 10 CCCE O=C(O)CNC(=O)NCCc1ccc(O)c(O)c1 2031079152 OYJONEOSGIHTOT-UHFFFAOYSA-N 254.242 0.024 10 10 CCCE CN[C@H](c1ccccc1O)[C@]1(O)CCS(=O)(=O)C1 2031163038 WZYCVGNGNNIJCO-NEPJUHHUSA-N 271.338 0.202 10 10 CCCE CN1[C@H]2CC[C@@H]1C[C@](NCCN=[N+]=[N-])(C(N)=O)C2 2041269239 NTXMUHAMFQRRQT-DOFRTFSJSA-N 252.322 0.367 10 10 CCCE NCc1ccc(N2CCN3C[C@@H](O)C[C@H]3C2)c(F)c1 405284480 VHXFVKNZEIOGNQ-RYUDHWBXSA-N 265.332 0.540 10 10 CCCE CCNC(=O)C(C)(C)NC(=O)Cc1ccc(N)cc1 312808782 OQOJROYUKVKFQJ-UHFFFAOYSA-N 263.341 0.842 10 10 CCCE CN[C@H](C)c1ccc(N2C[C@@H](O)[C@H](CO)C2)cc1 316582284 WDLIPFWYENWGBP-SCDSUCTJSA-N 250.342 0.756 10 10 CCCE Nc1ccc(OC[C@H](O)CN2C[C@H]3C[C@H](O)[C@H]2C3)cc1 2177185453 WVJYGJNSLKCICH-LTZCYQRMSA-N 278.352 0.464 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3C[C@H]4C[C@H](O)[C@H]3C4)cc21 2177160171 RHXSUIMCKWTJJI-ULTHFGNCSA-N 273.336 0.622 10 10 CCCE Nc1ccc(NC(=O)CCS(=O)(=O)[C@H]2CCOC2)cc1 705637410 IFFNNILTUJSRBL-LBPRGKRZSA-N 298.364 0.801 10 10 CCCE C[C@@H](C(=O)O)N1CCN(Cc2ccccc2O)CC1=O 705703450 DJCWHDXMKUPKGX-JTQLQIEISA-N 278.308 0.510 10 10 CCCE CCNCc1ccc(N2CC3(CNC(=O)N3)C2)c(F)c1 2177695615 IGYYXOWQUDCANQ-UHFFFAOYSA-N 278.331 0.807 10 10 CCCE CNCc1ccc(N(C)C[C@@H](O)CN(C)C)cc1 690222240 LRWUXRWWWPPLJV-AWEZNQCLSA-N 251.374 0.765 10 10 CCCE O=S(=O)(Nc1ccc(O)cc1)N1C[C@H]2CCNC[C@H]2C1 2172892106 HZAHHYHOBCLQBV-MNOVXSKESA-N 297.380 0.590 10 10 CCCE C[C@@H](NCC(=O)N1CCOCC1)c1c(O)cccc1O 379723963 FDZFTZAAKMJCGV-SNVBAGLBSA-N 280.324 0.607 10 10 CCCE N[C@@H]1C[C@@H]2CN(c3ccc4c(c3)CCC4)CCN2C1=O 2173419060 VRAKRKVHKZQCAR-HUUCEWRRSA-N 271.364 0.924 10 10 CCCE C[C@H](NC[C@@H]1CNC(=O)C1)c1c(O)cccc1O 398334278 CDKUJBMDXDKLKM-DTWKUNHWSA-N 250.298 0.885 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CC[C@H](C(CO)CO)C1 2170675194 ZYWJRUFWFHCKFP-JTQLQIEISA-N 281.308 0.161 10 10 CCCE Nc1ccc(NC(=O)N[C@@]23CC[C@@H](C2)[C@H](O)[C@@H]3O)cc1 2176913262 HNQRJTZRCJZORM-FNYBSCSFSA-N 277.324 0.665 10 10 CCCE CN(C[C@@H]1CNCCO1)C(=O)Cc1ccc(N)cc1 1157720199 CJVWGOPYVAUBTR-ZDUSSCGKSA-N 263.341 0.258 10 10 CCCE C[C@@H]1CC(=O)NCCN1c1ccc(CO)c([N+](=O)[O-])c1 2188574704 UZLAXWSWTXYGKF-SECBINFHSA-N 279.296 0.802 10 10 CCCE CO[C@H]1COC[C@@H]1CNC(=O)c1cc(O)c(O)c(O)c1 2188923947 NRKOQEOEYWPSNZ-KWQFWETISA-N 283.280 0.195 10 10 CCCE O=C(N[C@@H]1CCN[C@@H]2CC[C@@H]21)c1cc(O)c(O)c(O)c1 2188917892 AIIPEXXPBCMFQL-IVZWLZJFSA-N 278.308 0.674 10 10 CCCE CN=c1nc(Cl)[nH]c(=NCc2ccccc2O)[nH]1 2053438577 MCBABXLELDPYDM-UHFFFAOYSA-N 265.704 0.728 10 10 CCCE C[C@H]1CN(C(=O)c2ccc(O)c(O)c2)C(C)(C)C(=O)N1 2186218751 BNLHOQIUHNWKMD-QMMMGPOBSA-N 278.308 0.837 10 10 CCCE CN([C@@H]1CC[C@@H]1N)S(=O)(=O)CCOc1ccc(N)cc1 2191534503 BFLFPWUUDJYWIZ-QWHCGFSZSA-N 299.396 0.399 10 10 CCCE NC[C@@H]1C[C@H](F)CN1c1cc2c(cc1N)OCC(=O)N2 2191560409 SOCSWEWNVBQAKI-YUMQZZPRSA-N 280.303 0.475 10 10 CCCE O=S(=O)(C[C@H]1CC[C@H]1O)NCc1ccccc1O 2058001482 MEGSOORPTYDEEV-ZYHUDNBSSA-N 271.338 0.583 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@H]2C[C@H]3CN[C@@H](C3)C2)cc1 2191640032 CJMDKEUSPZXKOV-UBHSHLNASA-N 295.408 0.829 10 10 CCCE CC1(CCNC(=O)c2cccc(O)c2O)CNC1 2059315835 GOXLPZGYTWHIQD-UHFFFAOYSA-N 250.298 0.827 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@H]2C[C@H]3CC[C@H]2NC3)cc1 2191702288 ONCPQVULGVFXJU-MRVWCRGKSA-N 295.408 0.829 10 10 CCCE COC(=O)c1cnc(SC2=NC(=O)CC(=O)N2)s1 2062458719 JZDYSFSINBINEI-UHFFFAOYSA-N 285.306 0.424 10 10 CCCE Cn1cc(S(=O)(=O)Nc2ccc(O)cc2)c(=N)[nH]1 2071734684 YLDLZPMYWXTJNA-UHFFFAOYSA-N 268.298 0.339 10 10 CCCE N[C@H]1CC(C(=O)N2CCCOc3ccccc32)=C[C@H]1O 2188017926 BTZIODZAFBSGRY-WCQYABFASA-N 274.320 0.820 10 10 CCCE C[C@@]1(C(=O)NCc2ccccc2O)COCCN1 2081287984 VXVHANOPTWWEID-ZDUSSCGKSA-N 250.298 0.387 10 10 CCCE O=C1CC[C@H](CNC(=O)c2ccc(O)c(O)c2)CN1 2103043774 NWHRXKRYBXNTHV-QMMMGPOBSA-N 264.281 0.354 10 10 CCCE O=C(N[C@@H]1C[C@H]2C[C@H]1C[C@H]2O)c1ccc(O)c(O)c1 2104409516 YMHXOMPPXVNVSC-BTQIBKBOSA-N 263.293 0.987 10 10 CCCE O=C(O)C1CN(S(=O)(=O)Nc2ccc(O)c(F)c2)C1 2108034638 TXFKPIWOWUDKDC-UHFFFAOYSA-N 290.272 0.204 10 10 CCCE COC(=O)c1cccc(N)c1N[C@@H]1C[C@H](O)C[C@@H]1O 2108837168 IRYBSVIJPKDEDU-XROYCOCOSA-N 266.297 0.352 10 10 CCCE COc1cc(C(=O)N[C@H]2C[C@@H](CO)C2)cc(OC)n1 2110629252 VNXSPSHMXUGGEW-WAAGHKOSSA-N 266.297 0.600 10 10 CCCE CN1CCc2cc(CN3C[C@@H](N)C[C@@H](O)C3)ccc21 2111811744 JEGANVQYXLTPTI-UONOGXRCSA-N 261.369 0.573 10 10 CCCE Oc1c(F)cc(F)cc1CNC1CN(C2COC2)C1 2114707806 GPTBHSGTQSYTHJ-UHFFFAOYSA-N 270.279 0.843 10 10 CCCE CCN(c1ccc(CO)cc1C)[C@H]1CC(=O)NC1=O 2114730208 QGDLEQLVOASAMO-LBPRGKRZSA-N 262.309 0.729 10 10 CCCE CC[C@H](c1ccccc1O)N1C[C@H](O)[C@H](O)[C@H]1C(=O)O 2200864310 QEBZZHWBGREPEK-IXOXFDKPSA-N 281.308 0.334 10 10 CCCE CN1C[C@H](C(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])CC1=O 2218745600 RRGQCIBYRRKXCL-VGMNWLOBSA-N 251.290 0.812 10 10 CCCE Nc1ccc(OCCC(=O)N2C[C@@H](F)C[C@@H](O)C2)cc1 2234672968 JJXONYQMWLOZHE-CMPLNLGQSA-N 282.315 0.969 10 10 CCCE CN(C)c1ccc(CN2C[C@@H]3CN[C@H](CO)[C@@H]3C2)cc1 2235568062 LPCKCXIUQSVKMW-NUEKZKHPSA-N 275.396 0.765 10 10 CCCE COc1ccc(N2C[C@H]3COC[C@]3(CO)C2)c(C=O)c1 2235989369 YKASWGWSSKHMHZ-SWLSCSKDSA-N 277.320 0.953 10 10 CCCE CNCc1cc(OC)ccc1N1C[C@H]2C[C@H]1[C@H](O)[C@H]2O 2235956090 AIDIDIQUEPINLS-KJEVXHAQSA-N 278.352 0.345 10 10 CCCE COc1ccc(N2CCO[C@H]([C@H](C)O)C2)c(CN)c1 2227678861 BDHFBDKKIDVHEL-HZMBPMFUSA-N 266.341 0.740 10 10 CCCE COc1ccc(N2CCC(C(N)=O)CC2)c(CO)c1 2227708137 DYOSCMIIGFEEJE-UHFFFAOYSA-N 264.325 0.889 10 10 CCCE CCc1cccc(CNC2CC(O)(CO)C2)c1O 2256985462 VILNUFDGNNMOCQ-UHFFFAOYSA-N 251.326 0.930 10 10 CCCE CN[C@@H]1COC[C@@H]1C(=O)NCc1cnc(SC)s1 2257026644 NPZUGRGQQDQIEE-DTWKUNHWSA-N 287.410 0.716 10 10 CCCE NC[C@@]12C[C@H]1CN(C(=O)Cc1ccc(O)c(O)c1)C2 2272628125 TTZGPMCEFDOOIP-IINYFYTJSA-N 262.309 0.448 10 10 CCCE CN1CC2(CN(c3ccc(CN)cc3)C2)OCC1=O 2274012966 RYLJANLEONVESC-UHFFFAOYSA-N 261.325 0.193 10 10 CCCE NC=C1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 2294834019 FCULNWQJUUMJFY-UHFFFAOYSA-N 265.656 0.765 10 10 CCCE Nc1ccc(NC(=O)CCN2CC[C@@H]2[C@@H](O)CO)cc1 2286212734 VFGCAOBSOPGOMM-OLZOCXBDSA-N 279.340 0.025 10 10 CCCE CCN(CCN=[N+]=[N-])C(=O)[C@H]1CCCS(=O)(=O)C1 2315986812 IUFIVWWZZIMORI-VIFPVBQESA-N 274.346 0.970 10 10 CCCE COC(=O)[C@H](NCCCN=[N+]=[N-])C1[C@@H]2COC[C@@H]12 2318773866 JEGMYXPPFNUBFQ-NQMVMOMDSA-N 254.290 0.710 10 10 CCCE C[C@H](NCC[C@H](O)CCO)c1cc(O)ccc1O 2326770585 OZGSKJIXDQLSNV-UWVGGRQHSA-N 255.314 0.882 10 10 CCCE Oc1cc2c(cc1O)CN([C@H]1CNCCOC1)CC2 2341217204 WDROMMOLUPBSLN-LBPRGKRZSA-N 264.325 0.444 10 10 CCCE NC(=O)C[C@@H]1CNCCN1Cc1ccc(Cl)cc1O 2343294038 ZFTBRNMAHVEANO-LLVKDONJSA-N 283.759 0.695 10 10 CCCE CN(Cc1ccccc1O)[C@](C)(C(=O)O)C1CNC1 2347723813 PEAKEJAFTBKELX-AWEZNQCLSA-N 264.325 0.887 10 10 CCCE CN[C@H](C)c1ccc(N2C[C@@H]3C[C@H]2[C@H](O)[C@@H]3O)cc1O 2354479566 ZLRIPZMCHFSKIS-RZIZOTBESA-N 278.352 0.603 10 10 CCCE O=C1N[C@@H](C(=O)NCc2ccccc2O)CS1 133936719 RSWLOLAAYDXZHH-MRVPVSSYSA-N 252.295 0.833 10 10 CCCE Cn1cc(C(=O)N(CC(N)=O)Cc2ccc(N)cc2)cn1 35366547 SAQFGHDIXBGGAQ-UHFFFAOYSA-N 287.323 0.130 10 10 CCCE N[C@@H](c1ccc(C(F)(F)F)cc1O)[C@H](O)C(=O)O 1952073742 JZDMEELRPCKWFZ-YUMQZZPRSA-N 265.187 0.856 10 10 CCCE CN(c1ccc(N)cc1)[C@H]1CC(CO)(CO)C[C@H]1O 2141428101 HXOIKYZKGHERFX-QWHCGFSZSA-N 266.341 0.199 10 10 CCCE CNC[C@@H]1CCCN1C(=O)c1ccc(O)c(O)c1 234388322 VISDSLFVHPQICQ-JTQLQIEISA-N 250.298 0.922 10 10 CCCE Oc1ccc(CNCCc2ncno2)c(O)c1O 231784098 AWITVKHNXYVLLK-UHFFFAOYSA-N 251.242 0.519 10 10 CCCE C[C@@H]1CN(c2ccc(CN)c(F)c2)C[C@H](CO)O1 299952961 KPOCNNQXKPCKFM-BXKDBHETSA-N 254.305 0.870 10 10 CCCE C[S@](=O)CC1CN(c2cc3c(cc2N)OCC(=O)N3)C1 2166653116 QGIHCTYXZMEOSZ-FQEVSTJZSA-N 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0.763 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CCS(=O)CC3)c(Cl)cc21 92750914 XVHYKRBVIIQTFH-NSHDSACASA-N 299.783 0.861 10 10 CCCE C[C@@H](CS(C)(=O)=O)C(=O)NCc1c(O)cccc1O 1156881211 UTZARLKIBKSMOU-QMMMGPOBSA-N 287.337 0.395 10 10 CCCE CNC(=O)[C@H](C)N(C)CC(=O)Nc1ccc(N)cc1 1916806825 UQVPZHWSAVLUAT-VIFPVBQESA-N 264.329 0.274 10 10 CCCE C[C@H](c1cc(O)ccc1O)N1CC[C@H](N)[C@@H](CO)C1 2122389371 DGVGAYRMLNNUSE-BREBYQMCSA-N 266.341 0.800 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N3CC([S@](C)=O)C3)cc21 2115313062 CRBLAPIGOGZRST-BUXKBTBVSA-N 279.365 0.230 10 10 CCCE C[S@@](=O)CCn1cc(COc2ccc(N)cc2)nn1 2122752206 JRGZMQYYZRHOHA-LJQANCHMSA-N 280.353 0.818 10 10 CCCE Nc1ccc(NC(=O)CN2C[C@H](F)[C@@H](CO)C2)cc1 2120597720 LNBDYJQBJRSCDE-SKDRFNHKSA-N 267.304 0.470 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1C[C@@H]2CC[C@@]2(CO)C1 1901747323 KRNFUFNGJHYXGM-ZANVPECISA-N 264.281 0.337 10 10 CCCE CN(C)c1ccc(/C=C\CNCC(=O)NCC(=O)O)cc1 1334845043 REEABWIVQRCNLM-ARJAWSKDSA-N 291.351 0.556 10 10 CCCE CN1C[C@@H]2C[C@H](C1)N2CC(=O)c1ccc(O)c(O)c1 2131088211 GKXBXUSMOUZFEJ-PHIMTYICSA-N 262.309 0.669 10 10 CCCE N[C@H]1CCc2cc(N3CC4(CNC(=O)N4)C3)ccc21 2128325415 SIMMBASOPFOHAH-LBPRGKRZSA-N 258.325 0.504 10 10 CCCE O=C(N[C@@H]1CCNCC12CC2)c1cccc(O)c1O 2129382546 BKGKBCMCBAADMH-LLVKDONJSA-N 262.309 0.970 10 10 CCCE COc1cccc(N(C)C(=O)C2=C[C@@H](O)[C@H](N)C2)c1 2131476684 MUPGQXTYXMQGII-CHWSQXEVSA-N 262.309 0.676 10 10 CCCE C[C@@H](C(=O)N1CCOCC1)N1CC[C@H](N=[N+]=[N-])C1 1912157161 WYVYDUIKMDJLHM-UWVGGRQHSA-N 253.306 0.618 10 10 CCCE CCn1nncc1S(=O)(=O)N(C)CCCN=[N+]=[N-] 1912177725 HANXGWFHZQTHGH-UHFFFAOYSA-N 273.322 0.619 10 10 CCCE CN(C)CCOCCNC(=O)COc1ccc(N)cc1 234261655 DZSJGNRXIMQJQI-UHFFFAOYSA-N 281.356 0.342 10 10 CCCE C[C@@H](c1ccc(N(C)C)cc1)N1CC(O)(C(=O)O)C1 2136350979 SQHKYJRGXOUYLN-JTQLQIEISA-N 264.325 0.945 10 10 CCCE O=C1CC[C@@H](CNCc2ccc(O)c(O)c2O)N1 226758156 WEURLRJVARTTRI-QMMMGPOBSA-N 252.270 0.172 10 10 CCCE NC(=O)N=Nc1ccc(C(=O)NCC2(CO)COC2)cc1 1632301466 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O=C(Cc1ccc(O)c(O)c1)NC[C@]1(F)C[C@@H](CO)C1 1974383232 OLHSBOJSJAHYAZ-WJONMLJTSA-N 283.299 0.867 10 10 CCCE CS(=O)(=O)c1cccc(O)c1CN1CCNCC1 258529151 PICTTWJEFWOPPE-UHFFFAOYSA-N 270.354 0.201 10 10 CCCE Cc1ccc(O)c([C@H](C)N2C[C@@H](N)C[C@H](C(N)=O)C2)c1 2151021600 LQFYQYALRVUQIO-SRVKXCTJSA-N 277.368 0.896 10 10 CCCE CN(C)C(=O)OC1CN(C(=O)Cc2ccc(N)cc2)C1 2146476804 WQUUNZKJUFBUJB-UHFFFAOYSA-N 277.324 0.720 10 10 CCCE C[C@H]1CCN(S(=O)(=O)Cc2ccc(N)cc2)[C@H]1C(N)=O 2146456002 FFLDYNFPHIIJAV-JOYOIKCWSA-N 297.380 0.294 10 10 CCCE CC(C)(O)C1CN(C[C@H](O)COc2ccc(N)cc2)C1 2152282241 BJIGHPPEYLXWBB-ZDUSSCGKSA-N 280.368 0.711 10 10 CCCE Cc1cc(=O)n(CC(=O)Nc2ccc(N)cc2)cn1 40727764 PAKZFXQDQGFAIL-UHFFFAOYSA-N 258.281 0.773 10 10 CCCE COCCNCc1ccc(OCc2nn[nH]n2)c(C)c1 2155015906 YKESNUZLQWIENB-UHFFFAOYSA-N 277.328 0.823 10 10 CCCE N[C@@H]1[C@@H]2CCCO[C@H]2[C@H]1NC(=O)c1ccc(O)c(O)c1 300438785 JUXPSFWEWMMOPM-OQCKYNKVSA-N 278.308 0.332 10 10 CCCE NC(=O)CN(CC[C@H]1CCOC1)Cc1ccc(N)cc1 400685784 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10 10 CCCE COC1CN(S(=O)(=O)N(C)c2ccc(N)cc2)C1 2043683596 PUSNTLLYDIFTEZ-UHFFFAOYSA-N 271.342 0.280 10 10 CCCE C[C@H]1C[C@@H]1S(=O)(=O)NCCc1ccc(O)c(O)c1 2045260314 LENRLGLALGENOH-UFBFGSQYSA-N 271.338 0.968 10 10 CCCE COc1cccc(O)c1CN[C@@H]1C[C@H](O)C[C@@H]1O 2046488724 RGTGILIFVBWVNG-XRNSZHNASA-N 253.298 0.375 10 10 CCCE C[C@@H]1CC(NCCN=[N+]=[N-])(C(N)=O)C[C@@H](C)N1C 2048003793 YKHOFKZJYOYGEB-RKDXNWHRSA-N 254.338 0.613 10 10 CCCE CC1(NC(=O)c2ccn(-c3ccc(N)cc3)n2)CNC1 2191754858 XARQZVXCHADMPX-UHFFFAOYSA-N 271.324 0.546 10 10 CCCE COC(=O)[C@H](C)CS(=O)(=O)Nc1ccc(O)cc1 271949253 OATOPISOGVAMPZ-MRVPVSSYSA-N 273.310 0.943 10 10 CCCE [N-]=[N+]=NCCN[C@H](C(N)=O)c1cnn(C(F)F)c1 2057232570 DKVKSVFAJRIMNT-LURJTMIESA-N 259.220 0.705 10 10 CCCE N[C@H]1CCN(Cc2c(O)cccc2F)C[C@@H]1CO 2058552812 SIRDWTOJEJZIQI-SKDRFNHKSA-N 254.305 0.673 10 10 CCCE CO[C@H]1C[C@@H]1CNC(=O)COc1ccc(N)cc1 2067899955 GWYMQVNOCZZLET-SKDRFNHKSA-N 250.298 0.799 10 10 CCCE COc1ccc(N2CCO[C@H]([C@@H](C)N)C2)c(N)c1 2071590120 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Cc1cc(CO)ccc1N1CC[C@H](OCC(N)=O)C1 2089139677 OAPYAENNWBBCBY-LBPRGKRZSA-N 264.325 0.568 10 10 CCCE NC(=O)[C@@H]1CCN1c1cc2c(cc1Cl)[C@H](O)C(=O)N2 2089368674 JCYDYNLTFYVNGO-WPRPVWTQSA-N 281.699 0.390 10 10 CCCE Nc1ccc(OCC(=O)N[C@@H]2[C@@H]3CCOC[C@H]32)cc1 2093705510 HOCNECXTCKMPBI-YRGRVCCFSA-N 262.309 0.799 10 10 CCCE COc1ccc(O)c([C@@H](C)N[C@H](C)CS(N)(=O)=O)c1 2096643296 OFEGMALVNHLIRC-RKDXNWHRSA-N 288.369 0.728 10 10 CCCE N[C@@H]1CCO[C@H](CNC(=O)c2cccc(O)c2O)C1 2097944154 BHIKMJLICPOFDB-BDAKNGLRSA-N 266.297 0.334 10 10 CCCE C[C@@H](N)c1ccc(N2CCOC[C@]2(C)CO)cc1O 2112709602 AYMDDSBXDXXXPY-YGRLFVJLSA-N 266.341 1.000 10 10 CCCE Oc1ccc(CNC2CN([C@H]3CCOC3)C2)c(O)c1 2113048660 AHLHSQLCCOCWKV-LBPRGKRZSA-N 264.325 0.661 10 10 CCCE Nc1ccc(OCC(=O)N2CC[C@H]3C[C@]3(O)C2)cc1 2114556550 CNBNFOMMKUXBSI-HZMBPMFUSA-N 262.309 0.631 10 10 CCCE COc1ccc(N2CCC2(CO)CO)c(F)c1F 2219726619 IKMWYWBSUAEFGO-UHFFFAOYSA-N 259.252 0.907 10 10 CCCE CN(Cc1ccccc1O)C(=O)CN[C@H]1CCOC1 2272581822 BKDVUOZZTDMCMO-LBPRGKRZSA-N 264.325 0.729 10 10 CCCE Nc1ccc(CCNC(=O)c2ccnnc2O)cc1 2230106416 GUXRNJAKTSRJFL-UHFFFAOYSA-N 258.281 0.737 10 10 CCCE COc1ccc(N2CC(=O)N[C@H]3CC[C@H]32)c(C=O)c1 2227696161 MDVGXRYSKOHYLC-WCQYABFASA-N 260.293 0.975 10 10 CCCE COc1ccc(N2CCN(C(C)=O)CC2)c(CN)c1 2227675193 ZSTVJCDUPMLWOM-UHFFFAOYSA-N 263.341 0.822 10 10 CCCE CC1(C)CN(C(=O)c2cc(O)nc(O)c2)C[C@H]1CCO 2238445199 XIOOUFQXXHUATN-SNVBAGLBSA-N 280.324 0.973 10 10 CCCE C[C@@H](O)CN(CCN)C(=O)Nc1ccc(N)cc1 2257557557 BCNKPUSWMWDDEU-SECBINFHSA-N 252.318 0.442 10 10 CCCE CSc1ncc(CNc2cnnc(NN)n2)s1 2248740466 WJDYMYVSFCUAHB-UHFFFAOYSA-N 269.359 0.948 10 10 CCCE COC(=O)NC[C@H](C)NC(=O)c1cccc(O)c1O 2270600436 RDJJOLFQQZQWQH-ZETCQYMHSA-N 268.269 0.572 10 10 CCCE COc1ccc(N2CCC[C@H]3CNC(=O)[C@@H]32)c(CO)c1 2279274172 WPOOZSONHPPYRK-IINYFYTJSA-N 276.336 0.902 10 10 CCCE OC[C@H](O)CN1CCN(c2ccc(OCF)cc2)CC1 2295989419 QRVOCAHZTPEGGQ-CYBMUJFWSA-N 284.331 0.468 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3C[C@H]4COC[C@H]3C4)cc21 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COC(=O)[C@@]1(NCCCN=[N+]=[N-])CCCN(C)C1 134329189 MRVLSDMQBFUMHW-LLVKDONJSA-N 255.322 0.914 10 10 CCCE CCOc1ccc(O)c(CN2CCO[C@H](C(=O)NC)C2)c1 182472990 DNIXBILXMPICMZ-AWEZNQCLSA-N 294.351 0.738 10 10 CCCE CCOC(=O)CCNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 41680018 OFDRHYNMJALXRU-JTQLQIEISA-N 296.323 0.037 10 10 CCCE CC[C@@H]1CN(C(=O)[C@@H](N)Cc2ccc(O)c(O)c2)CCO1 40460264 VGIMIFDNGKRCOE-NEPJUHHUSA-N 294.351 0.605 10 10 CCCE Nc1ccc(CCC(=O)N2CCN3C(=O)NC[C@@H]3C2)cc1 91751559 HJLVDAKKORFXMP-CYBMUJFWSA-N 288.351 0.437 10 10 CCCE CN(C)CCOCCNCc1cccc(O)c1O 234257034 IQFZXLZNVJTPFR-UHFFFAOYSA-N 254.330 0.766 10 10 CCCE CCN1CCc2cc([C@H](Cn3nccn3)NN)ccc21 2163129883 BPGVKMZRZPJMDL-ZDUSSCGKSA-N 272.356 0.865 10 10 CCCE CO[C@@H]1C[C@H](O)CN(c2ccc([N+](=O)[O-])c(CO)c2)C1 2165325665 GZVKRXDMLDMYTA-NWDGAFQWSA-N 282.296 0.673 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3C[C@@H]4C[C@H](C[C@H]4O)C3)ccc21 2163564176 OHDNUXAWWFTRQH-HZZFPTLFSA-N 273.336 0.846 10 10 CCCE NC(=O)C[C@@H]1CCN(c2ccc3c(c2)NC(=O)[C@@H]3N)C1 723161705 VUPITPVIDMKEBV-ISVAXAHUSA-N 274.324 0.340 10 10 CCCE COC[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(C)c(O)c1O 846435759 KCGSERCSXRTENM-VHSXEESVSA-N 281.308 0.628 10 10 CCCE O=C1C[C@@H](CCNC(=O)NCc2ccccc2O)CN1 915525509 PRXQLOBIBLNNMM-SNVBAGLBSA-N 277.324 0.718 10 10 CCCE O=C(c1cc(O)cs1)N1CCN2CCOC[C@H]2C1 758684904 QXPHTVWJHQPOEA-SECBINFHSA-N 268.338 0.610 10 10 CCCE CNC(=O)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 853817620 HYVJNPNMAJXTKB-JTQLQIEISA-N 277.324 0.136 10 10 CCCE Cc1ccc(O)c([C@H](N)c2nnc(CC(=O)O)o2)c1 83458165 XLZRBEMPFQZDQA-NSHDSACASA-N 263.253 0.759 10 10 CCCE CN(CC(=O)N(C)c1ccc(N)cc1)CC1CN(C)C1 692268676 NRFUIOSHTVGFOC-UHFFFAOYSA-N 276.384 0.725 10 10 CCCE CCOC(=O)NS(=O)(=O)N1CCC[C@H]1CN=[N+]=[N-] 692808569 YIZOBKMAXBHYCQ-ZETCQYMHSA-N 277.306 0.752 10 10 CCCE C[C@@]12COC[C@@H]1NC(=O)N(c1ccc(N)cc1)C2=O 90579832 XBGIIISERSYSFC-GXFFZTMASA-N 261.281 0.730 10 10 CCCE Nc1ccc(OCC(=O)NCc2cncnc2)cc1 2122296692 LHUBKVSATDVBNK-UHFFFAOYSA-N 258.281 0.754 10 10 CCCE C[C@H](O)[C@@H]1C[C@H]1NC(=O)CCOc1ccc(N)cc1 2125871017 REZYPHHUMKNVSW-TVYUQYBPSA-N 264.325 0.923 10 10 CCCE Nc1ccc(CC(=O)N2CCC[C@H]2[C@H](O)CO)cc1 2123226230 ATEMLNWPINZZEU-QWHCGFSZSA-N 264.325 0.156 10 10 CCCE O=C(Nc1[nH]nnc1C(=O)O)c1cccc(O)c1O 2117402991 NNUNVLPVSVCBOF-UHFFFAOYSA-N 264.197 0.166 10 10 CCCE CO[C@@H]1COC[C@@H]1NS(=O)(=O)Cc1ccc(N)cc1 2120777952 ZAQSUMZPFWSBHO-NWDGAFQWSA-N 286.353 0.102 10 10 CCCE O=C1CC[C@H](C(=O)NCc2ccc(O)c(O)c2)CCN1 1330398583 QCKQGUIIYCZHIW-JTQLQIEISA-N 278.308 0.630 10 10 CCCE C[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)[C@H](C)CN1 2132413537 NYZFXNUYOGKXGK-HTQZYQBOSA-N 266.297 0.626 10 10 CCCE O=C(NC[C@@]12CNC[C@H]1C2)c1cc(O)c(O)c(O)c1 2132418236 IDWRGLXRLPUGKY-AMIZOPFISA-N 264.281 0.143 10 10 CCCE CO[C@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1261858752 AQPGMQNXWPURCJ-NSHDSACASA-N 290.319 0.482 10 10 CCCE CN(C)c1ccc(C=CC(=O)N2C[C@H](O)[C@@H](O)C2)cc1 1911926442 VEPRZCOEYYNUIA-KBPBESRZSA-N 276.336 0.330 10 10 CCCE CN(CCN=[N+]=[N-])CC(=O)NC(=O)c1ccc[nH]1 1912202053 BCRFILSIYYSGTI-UHFFFAOYSA-N 250.262 0.513 10 10 CCCE O=C(NCCNCc1ccc(O)c(O)c1O)C1CC1 226753730 ZXUKHHYTJIOUJH-UHFFFAOYSA-N 266.297 0.419 10 10 CCCE O=C1CC[C@H](C(=O)NCc2c(O)cccc2O)O1 1652625976 PUGHBOSIVPWRLV-SNVBAGLBSA-N 251.238 0.420 10 10 CCCE Cc1cccc(CNC(=O)C[C@@H]2COC[C@H]2N)c1O 2139759962 MORYSODCOXDIGO-VXGBXAGGSA-N 264.325 0.681 10 10 CCCE Nc1ccc(OCCN2CCOC[C@@H]2CO)cc1 168005034 JYMCKUNFUDCSPP-LBPRGKRZSA-N 252.314 0.341 10 10 CCCE O=C(O)C[C@@H](O)CNCc1ccc2c(c1)CCCO2 258937279 JTYWUTORDIZAFQ-GFCCVEGCSA-N 265.309 0.937 10 10 CCCE CNCc1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CF)c(Cl)c1 2140666230 VJJVVUTTZHNHJI-RWMBFGLXSA-N 288.750 0.939 10 10 CCCE Cc1ccc(O)c(CN[C@@H]2COC[C@@H]2S(C)(=O)=O)c1 2142489854 HAHOIDOWCUJMGE-YPMHNXCESA-N 285.365 0.602 10 10 CCCE Nc1ccc(OCC(=O)N2CCC[C@H](N)CC2)cc1 1876473239 KPOMOJNDAUZMRL-NSHDSACASA-N 263.341 0.987 10 10 CCCE COC1(CNC(=O)CCc2ccc(N)cc2)CNC1 1876438224 SNRFTFZJMSDQEF-UHFFFAOYSA-N 263.341 0.306 10 10 CCCE C[C@H]1CN(S(=O)(=O)Cc2ccc(N)cc2)CC[C@H]1N 1876538883 TWQHDXKWCXCTSX-GXFFZTMASA-N 283.397 0.768 10 10 CCCE CC1(NC(=O)COc2ccc(N)cc2)CCNCC1 1876508924 IXXBQDCUKLBYEX-UHFFFAOYSA-N 263.341 0.906 10 10 CCCE COC(=O)c1cccc(N)c1N[C@H]1CNCC[C@@H]1O 1876507828 URMOFMSMFSZEAD-QWRGUYRKSA-N 265.313 0.190 10 10 CCCE CSc1ncc(CNCCCNCCO)s1 1902591329 MYSYCQRIWYTKBN-UHFFFAOYSA-N 261.416 0.927 10 10 CCCE CC(C)(C)OC(=O)NC1CC(O)(C(=O)NCCN=[N+]=[N-])C1 1886206148 UEDXRQQBXYPXNH-UHFFFAOYSA-N 299.331 0.831 10 10 CCCE CNC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 40530411 ZTZBQZZSYKRWMM-SSDOTTSWSA-N 254.242 0.023 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCCNCC1 1971233442 IFRDUZIEUWOCSG-LLVKDONJSA-N 264.325 0.899 10 10 CCCE C[C@H](N)C[S@](C)(=O)=NC(=O)Cc1ccc(N)cc1 1974000114 YORMSDMZCGQZJG-YYSFKGJASA-N 269.370 0.783 10 10 CCCE COc1ccc(N2CCOC[C@H]2CO)c([N+](=O)[O-])c1 168724381 MYJAPYPDCHWGFT-SECBINFHSA-N 268.269 0.801 10 10 CCCE NCCc1ccc2ccn(C[C@H]3CCS(=O)(=O)N3)c2c1 2146175344 MTYHDOVAPXHQRA-CYBMUJFWSA-N 293.392 0.834 10 10 CCCE COc1ccc(CN2CCO[C@@H]3[C@H](C(=O)O)[C@H]32)c(O)c1 2149283742 AWXJSEJVLIYPJY-JHJVBQTASA-N 279.292 0.685 10 10 CCCE CNC(=O)OC1CN(c2cc3c(cc2N)OCCO3)C1 2146888716 OVZNRSBFKWQQQL-UHFFFAOYSA-N 279.296 0.585 10 10 CCCE C[C@H](O)[C@H]1CCN(c2ccc3c(c2)NC(=O)[C@@H]3N)C1 162037319 WLJQIOPFFDBHEI-MWODSPESSA-N 261.325 0.846 10 10 CCCE Nc1ccc(OCC(=O)N[C@H]2CN3CCC2CC3)cc1 40294269 KGHCURMDDJGYSA-AWEZNQCLSA-N 275.352 0.858 10 10 CCCE N[C@H](Cc1ccc(O)c(O)c1)c1nnc2n1CCC2 40225939 MEYFMFRREJAUEB-SECBINFHSA-N 260.297 0.878 10 10 CCCE CN[C@H](C)c1ccc(N2C[C@H]3C[C@H]2[C@@H](O)[C@@H]3O)cc1O 2160718448 ZLRIPZMCHFSKIS-JDEAPAMRSA-N 278.352 0.603 10 10 CCCE CNCc1ccc(N2CCN(CC(N)=O)CC2)c(F)c1 700819879 HJTUYLYHEVEYTN-UHFFFAOYSA-N 280.347 0.152 10 10 CCCE O=C1OCCN1CCNCc1cccc(O)c1O 2030151365 LLYOEMUBFVXJFI-UHFFFAOYSA-N 252.270 0.640 10 10 CCCE Nc1cccc(C(=O)O)c1N[C@@H]1CCc2nncn2C1 2159930149 HQMACKHDDALGDW-MRVPVSSYSA-N 273.296 0.985 10 10 CCCE CS(=O)(=O)N1CCC[C@@H]1C(=O)NCCCCN=[N+]=[N-] 701323044 JWMKMBIGZFVQIT-SECBINFHSA-N 289.361 0.617 10 10 CCCE C[C@H]1COC[C@H]1OC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 703430862 TXGCBJXXNWHRSY-GMOODISLSA-N 281.308 0.546 10 10 CCCE NC1[C@@H]2CN(c3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@@H]12 2164055146 PEJLCYUZEJYTDG-HTQZYQBOSA-N 277.280 0.759 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3C[C@@H](O)C[C@H]3C)ccc21 385232723 JQTRXFQVIWHEHN-DVYJOKAKSA-N 261.325 0.859 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCc1cnoc1 719326182 DEYNHBGPSLEDKB-JTQLQIEISA-N 277.280 0.272 10 10 CCCE Cn1[nH]c(CNC(=O)c2ccc(O)c(O)c2)cc1=O 392834344 IAZUOHYNZLDTJN-UHFFFAOYSA-N 263.253 0.055 10 10 CCCE COc1cc(N)c(N2CCO[C@@H]([C@@H](C)O)C2)cc1OC 2174152883 NNMUFXRQYWYSHC-YMTOWFKASA-N 282.340 0.872 10 10 CCCE Cc1cccc(O)c1CN1CC[C@]2(C1)NC(=O)NC2=O 876622355 FNVLMGGDRRFDKS-CQSZACIVSA-N 275.308 0.485 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@H]2C[C@@H](O)C[C@H]2C1 2188868073 LNXAHLKSTYKSHV-ILWJIGKKSA-N 279.292 0.646 10 10 CCCE NCc1ccc(N2CC([C@H]3NC(=O)NC3=O)C2)c(Cl)c1 2184959651 MMFZPAGMTWWGQY-LLVKDONJSA-N 294.742 0.443 10 10 CCCE C[C@H](O)c1cc(F)c(N2C[C@H]3C[C@H]2[C@H](O)[C@H]3O)c(F)c1 2194521729 YMTNTYSQOMLHOG-OUWUWXGWSA-N 285.290 0.948 10 10 CCCE COc1cccc(O)c1CN[C@H](C)CS(C)(=O)=O 2042570490 LKXGQWMTGQMHQE-SECBINFHSA-N 273.354 0.924 10 10 CCCE COc1cccc(O)c1CN[C@]1(CO)CCOC1 2042580001 WBFGAHSBYFDCAH-ZDUSSCGKSA-N 253.298 0.642 10 10 CCCE C[C@H](O)c1ccc(N2CCN3CCOC[C@@H]3C2)cc1O 2185876283 NFEAWZSMSLSENG-AAEUAGOBSA-N 278.352 0.966 10 10 CCCE Nc1ccc(OCCC(=O)N[C@@H]2C[C@H]3NCC[C@@H]32)cc1 2191669569 CZNBQKQIAIVYFZ-BFHYXJOUSA-N 275.352 0.904 10 10 CCCE COc1cc(N)c(N2CCCO[C@@H](CN)C2)cc1OC 2191896715 FMCOLWNRMBUUNM-JTQLQIEISA-N 281.356 0.840 10 10 CCCE O=C(N[C@H](CO)C[C@H]1CCOC1)c1ccc(O)c(O)c1 2195453670 BJHAJRFBHJVFCE-KOLCDFICSA-N 281.308 0.615 10 10 CCCE OCC(CO)CCN[C@H]1CCc2cccc(O)c21 2064522176 CVQDDTKTHKOHMQ-LBPRGKRZSA-N 251.326 0.960 10 10 CCCE C[C@H]1CC(=O)CN1C(=O)c1cc(O)c(O)c(O)c1 2068624578 QPMVOAFUYCSDJX-LURJTMIESA-N 251.238 0.607 10 10 CCCE CN(Cc1ccccc1O)S(=O)(=O)C[C@](C)(F)CN 2108230876 LNFUBPLFUQJPOJ-GFCCVEGCSA-N 290.360 0.841 10 10 CCCE Nc1ccc(CC(=O)N[C@@H](C(=O)O)C2(O)CCC2)cc1 2188000819 WPOQFHXQFUPDOD-LBPRGKRZSA-N 278.308 0.296 10 10 CCCE CNC[C@@H](C)N(C)S(=O)(=O)Cc1ccc(N)cc1 2071735772 RGLDOWAEODVATI-SNVBAGLBSA-N 271.386 0.638 10 10 CCCE O=C(N[C@H]1CSCCC1=O)c1ccc(O)c(O)c1 2077583736 BCTLZNLYMXSHNJ-QMMMGPOBSA-N 267.306 0.902 10 10 CCCE CCN[C@H](C)c1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CO)cc1 2201036440 TWQMBNGLRYSCGK-SDJAHQOYSA-N 280.368 0.260 10 10 CCCE COc1cc(N2CC[C@](O)(CO)C2)ccc1CO 2084015131 BSACCFPOPZFSMJ-CYBMUJFWSA-N 253.298 0.121 10 10 CCCE CNC(=O)[C@H](C)N(C)c1ccc(CO)c(OC)c1 2084014780 WWXQAXWYGAVPHI-VIFPVBQESA-N 252.314 0.758 10 10 CCCE C[C@@H](N[C@H](C(=O)O)C1COC1)c1cc(O)ccc1O 2104900870 RACZNNKMSDISOB-KRTXAFLBSA-N 267.281 0.848 10 10 CCCE CCOC(=O)[C@@H](CCOCCOC)NCCN=[N+]=[N-] 2108933844 IYFIOAVAYSLFEB-SNVBAGLBSA-N 274.321 0.871 10 10 CCCE NCc1ccc(N2C[C@@H]3[C@H](CCS3(=O)=O)C2)c(F)c1 2088820513 ZBJNXKMFQABJFS-ZWNOBZJWSA-N 284.356 0.908 10 10 CCCE CN(C)c1ccc([C@@H](O)C2(CN)CS(=O)(=O)C2)cc1 2089877203 ROYZBRSNIBIVSP-GFCCVEGCSA-N 284.381 0.160 10 10 CCCE O=C(O)CC[C@@H](O)CNC(=O)c1cccc(O)c1O 2110234063 JIBJFHZQKIERBJ-SSDOTTSWSA-N 269.253 0.053 10 10 CCCE C[C@@H](C(=O)Nc1ccc(N)cc1)N1CC(CCO)C1 2095989562 UGISMKGMTHKGRX-JTQLQIEISA-N 263.341 0.910 10 10 CCCE Nc1ccc(N2C(=O)N[C@@]3(CCCOC3)C2=O)cc1 2113253290 LZFFKUCWAZQBBV-CYBMUJFWSA-N 261.281 0.874 10 10 CCCE CN1CCN(c2ccc(CN)c(F)c2F)[C@@H](CCO)C1 2202821855 YCFLXYMTHYJLCA-NSHDSACASA-N 285.338 0.926 10 10 CCCE CCc1nc(=NC(=O)c2cc(O)c(O)c(O)c2)n(C)[nH]1 2205716020 JXYHKWPYZZRCLM-UHFFFAOYSA-N 278.268 0.169 10 10 CCCE CN1CCc2cc(N(CCO)CCCO)ccc21 2219643166 OGGOQPZMUVONTG-UHFFFAOYSA-N 250.342 0.860 10 10 CCCE COc1ccc(N2CCOC[C@H]2CO)c(C=O)c1 2220423259 KLBWIPDAXCWLFI-LLVKDONJSA-N 251.282 0.705 10 10 CCCE N[C@@H]1C[C@@H]2CN(C(=O)c3ccc(O)c(O)c3)CC[C@@H]21 2224659886 FDERKUJEXUXFHV-OUAUKWLOSA-N 262.309 0.907 10 10 CCCE OC[C@@H]1NC[C@H]2CN(c3ccc4c(c3)OCCO4)C[C@@H]21 2235551001 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266.316 0.605 10 10 CCCE C[P@@]1(=O)C[C@@H](O)[C@H](NC(=O)c2ccc(O)c(O)c2)C1 2330855118 KBUANSFPDTYJHF-IKMPQNOCSA-N 285.236 0.564 10 10 CCCE CCOC(=O)[C@@H]1CNC[C@@H]1c1cc(O)c(O)c(O)c1 1951593107 SWYLPLGVZUHXIN-RKDXNWHRSA-N 267.281 0.670 10 10 CCCE COC(=O)[C@@H](NCCCN=[N+]=[N-])c1cn(C)cn1 311078600 FKMDLLDLBOXGQL-VIFPVBQESA-N 252.278 0.924 10 10 CCCE Nc1ccc(OC[C@@H](O)CN2C[C@@H]3C[C@@H]3[C@H]2CO)cc1 2357560991 ZYLSDSCWHLXZST-HQRZJTNHSA-N 278.352 0.321 10 10 CCCE CCC(CO)(CO)NCc1ccc(N(C)C)cc1 218110563 XHVWFWKTYIFSHL-UHFFFAOYSA-N 252.358 0.976 10 10 CCCE CN(Cc1ccc(N(C)C)cc1)C(=O)C(C)(CO)CO 133625741 ATIIKSYIXNNDEQ-UHFFFAOYSA-N 280.368 0.702 10 10 CCCE O=C(N[C@]1(C(=O)O)CCSC1)c1ccc(O)c(O)c1 236434799 DUIDJWXYXRUUPU-GFCCVEGCSA-N 283.305 0.788 10 10 CCCE COCCN[C@H](C(N)=O)c1ccc2c(c1)CCCN2C 53256485 ZPLKGCAJHPSHCW-AWEZNQCLSA-N 277.368 0.831 10 10 CCCE C[C@@H]1Cc2cc(N3C[C@@H](N)C[C@@H](C(N)=O)C3)ccc2O1 2162659335 LPIOQUOJNCRXIT-JLLWLGSASA-N 275.352 0.649 10 10 CCCE COC1=C=C(OC)C(NC(=O)CNN=N)=C=C1Cl 642811070 UBGCRHRWXDKYRR-UHFFFAOYSA-N 270.676 0.917 10 10 CCCE C[C@@H](O)c1ccc(N2CC(NC(N)=O)C2)c([N+](=O)[O-])c1 2163219994 ORCYQTYYCGTTGM-SSDOTTSWSA-N 280.284 0.505 10 10 CCCE COc1ccc(O)c(CN2CCOC[C@H](O)C2)c1 294736212 GRWYHUGOPVNTKT-LLVKDONJSA-N 253.298 0.594 10 10 CCCE CCOC(=O)C1(C(=O)OCC(=O)C(C)=O)CCC1 808529321 CTKNVWBMOQIHKN-UHFFFAOYSA-N 256.254 0.421 10 10 CCCE CCn1nnc([C@@H](NCCCN=[N+]=[N-])C(=O)OC)n1 1892988095 SPRHHVWKARRYQS-SSDOTTSWSA-N 268.281 0.197 10 10 CCCE O=C1N[C@@H](C(=O)NCc2c(O)cccc2F)CCO1 928705074 DFGRTVXOKOGGGG-SECBINFHSA-N 268.244 0.646 10 10 CCCE CSc1ncc(CNS(=O)(=O)CCCN)s1 2243843354 AVJIFKZWCFXLSF-UHFFFAOYSA-N 281.428 0.633 10 10 CCCE C[C@@H](O)CN(C)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 51821111 YZFOKWHIVXZZDJ-SSDOTTSWSA-N 281.268 0.743 10 10 CCCE O=C(C[C@@H]1CC(=O)N1)NCc1ccc2cccnc2c1O 862025846 BLECASYRJRDLBV-LLVKDONJSA-N 285.303 0.835 10 10 CCCE CN(C)c1ccc(CN2CCO[C@H](CC(N)=O)C2)cc1 860012900 WNJJPVIDDCUSMZ-CQSZACIVSA-N 277.368 0.829 10 10 CCCE O=C(Cc1ccon1)NCCc1ccc(O)c(O)c1 767774810 RFAZIMVRYRYQJS-UHFFFAOYSA-N 262.265 0.987 10 10 CCCE CC(C)CNC(=O)[C@H](N)c1ccc(O)c(O)c1O 83398436 IHUUPZOGWZCFDH-SECBINFHSA-N 254.286 0.575 10 10 CCCE COCCOCCN(CC(N)=O)Cc1ccc(N)cc1 70481077 CAQQEKTVWDWNCI-UHFFFAOYSA-N 281.356 0.219 10 10 CCCE C[C@H](O)c1ccc(N2C[C@@H](CO)[C@H](CO)C2)cc1 704441938 AFSUSGGPLYONTI-DRZSPHRISA-N 251.326 0.777 10 10 CCCE CO[C@H]1CNC[C@H]1C(=O)NCc1ccccc1O 690089247 KIUYPZVSCDDXJJ-PWSUYJOCSA-N 250.298 0.243 10 10 CCCE Cc1cccc(O)c1CN1C[C@H](CC(=O)O)[C@@H](O)C1 2117725903 WXSYUDOWMPKICV-GWCFXTLKSA-N 265.309 0.968 10 10 CCCE C[C@H](N)[C@H]1C[C@@H]1C(=O)NCCc1ccc(O)c(O)c1 2118319037 JZENYVGBRKMDGG-GDPRMGEGSA-N 264.325 0.740 10 10 CCCE C[C@@H](O)CCN(C)C(=O)C(=O)N1Cc2cccc(O)c2C1 1329797486 MLNAKKHJLCYQNF-SNVBAGLBSA-N 292.335 0.464 10 10 CCCE COc1cc(N)c(N2C[C@@H]3[C@H](CO)[C@@H]3C2)cc1OC 2125595475 OJNTUOXXHVZOFJ-ILWJIGKKSA-N 264.325 0.961 10 10 CCCE C[C@@]1(NC(=O)NCc2ccccc2O)CCOC1=O 1348439462 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CN(C(=O)Cc1ccc(O)c(O)c1)C1CC(O)C1 1914578685 MXUUERCMDBYMHR-UHFFFAOYSA-N 251.282 0.622 10 10 CCCE O=C(NCc1cccc(O)c1O)[C@@H]1CCCCS1(=O)=O 1471642168 MKKJAPKTUDROGQ-NSHDSACASA-N 299.348 0.681 10 10 CCCE COc1ccc(N2C[C@@H](O)CNC[C@H]2C)cc1OC 217180391 BAGSSARXANXRSJ-PWSUYJOCSA-N 266.341 0.863 10 10 CCCE COC(=O)/C=C/[C@@H](C)NC(=O)Cc1ccc(O)c(O)c1 1637688494 URLUYOGZYRCKDQ-BSPAPZMXSA-N 279.292 0.874 10 10 CCCE O=C(NCc1cccc(O)c1O)c1cc(O)ncn1 1644710851 LNMJGYRAZCPEFS-UHFFFAOYSA-N 261.237 0.523 10 10 CCCE COc1cc2c(cc1OC)N(C)C[C@H](C(=O)O)[C@H]2O 250594564 IHTXZZNGJAMFSN-UFBFGSQYSA-N 267.281 0.888 10 10 CCCE Nc1ccc(CCC(=O)N2CCN(C=O)CC2)cc1 20186544 AHQLVGDIFLHUKI-UHFFFAOYSA-N 261.325 0.502 10 10 CCCE N#Cc1cc(N2C(=O)Cc3cc(N)ccc32)nc(O)n1 258923456 WRILBNFPKLFKDX-UHFFFAOYSA-N 267.248 0.857 10 10 CCCE CC[C@H]1C[C@@]1(N)C(=O)NCCc1ccc(O)c(O)c1 2141316180 PMVVAECEJSWORL-HZMBPMFUSA-N 264.325 0.884 10 10 CCCE CN(CCO)C(=O)CNCc1ccc(N(C)C)cc1 1857865654 XTVMOMTWWHQYAG-UHFFFAOYSA-N 265.357 0.293 10 10 CCCE CNC(=O)NC(=O)[C@H](C)OC(=O)Cc1ccc(N)cc1 41098594 IGIKOKYUIBDOPV-QMMMGPOBSA-N 279.296 0.199 10 10 CCCE C[C@H](N)c1ccc(N2CC(O)(CO)C2)c(Cl)c1 2004526073 NPWPNCBICKRRBM-QMMMGPOBSA-N 256.733 0.903 10 10 CCCE CN1C(=O)[C@H](O)c2ccc(N3C[C@@H]4C(CO)[C@H]4C3)cc21 2146875423 UCJQFXOSNYRTAC-COPLHBTASA-N 274.320 0.371 10 10 CCCE CN1C(=O)[C@H](O)c2ccc(N3C[C@@H](O)C(F)(F)C3)cc21 2152093522 ASEJHQCZSBFVRD-GHMZBOCLSA-N 284.262 0.513 10 10 CCCE CN1CCN(C(=O)CN2CCC[C@H](N=[N+]=[N-])CC2)CC1 2155566066 ZUSBPFKKJZMQKZ-LBPRGKRZSA-N 280.376 0.925 10 10 CCCE COc1cccc(O)c1CNC[C@@H]1CCO[C@H]1C(=O)O 2160714130 OYGNDLSDYWJWDV-TVQRCGJNSA-N 281.308 0.980 10 10 CCCE CCC[C@](C)(CO)NC(=O)c1cc(O)nc(O)c1 2029957843 VESCTAOVUAVYDY-GFCCVEGCSA-N 254.286 0.774 10 10 CCCE CC[C@H](C(N)=O)N1CCN(c2ccc(N)cc2)CC1 61677767 HRRPASDDSISKTK-CYBMUJFWSA-N 262.357 0.655 10 10 CCCE CNCc1ccc(N(C)C2CS(=O)(=O)C2)cc1C 2034768955 PRBGHNCJIZSILP-UHFFFAOYSA-N 268.382 0.948 10 10 CCCE C[C@H](CS(N)(=O)=O)N[C@H](C)c1c(O)cccc1O 2035453911 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Nc1ccc(CCC(=O)NCCn2cnnc2)cc1 381730294 WSQSOGILQICWGA-UHFFFAOYSA-N 259.313 0.609 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CC(N4CCCC4)C3)ccc21 697770530 FAUZVCPHEAVWRH-AWEZNQCLSA-N 272.352 0.923 10 10 CCCE NCC1(CCNC(=O)c2cccc(O)c2O)CC1 395920019 COBITPVRZWHTII-UHFFFAOYSA-N 250.298 0.957 10 10 CCCE CN(C[C@H]1[C@@H]2COC[C@@H]21)S(=O)(=O)Cc1ccc(N)cc1 2174645893 ZFNDMGFYOVBGLY-ZSOGYDGISA-N 296.392 0.923 10 10 CCCE CN1CCN(c2ccc3c(c2)NC(=O)[C@@H]3N)[C@H]2CC[C@H]21 2168371457 LERBUOWTEVGAAR-HZSPNIEDSA-N 272.352 0.921 10 10 CCCE O=C(NC1CN([C@@H]2CCOC2)C1)c1cccc(O)c1O 2169251453 QDRXDZWDCJQBBU-SNVBAGLBSA-N 278.308 0.301 10 10 CCCE CS(=O)(=O)[C@@H]1CNC[C@H]1Nc1ccccc1N 1909693319 ZGYXKUHTLLXJPS-GHMZBOCLSA-N 255.343 0.066 10 10 CCCE C[C@H]1C(=O)NC(=O)CN1c1ccc2c(c1)CCC[C@@H]2O 2184690906 IKLJJBJGVGAGJL-ZANVPECISA-N 274.320 0.908 10 10 CCCE OC1CN([C@H]2CCN(c3ccc4c(c3)CC[C@H]4O)C2)C1 2184738664 WOOHBXDRPHUCLH-XJKSGUPXSA-N 274.364 0.921 10 10 CCCE O=C(CN1C[C@@H]2CC(O)C[C@H]2C1)c1ccc(O)c(O)c1 2185140975 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CO[C@@H]1[C@@H](O)C[C@H]1N[C@H](C)c1cc(O)ccc1O 2313160009 LRAGMPFLYWYGLU-SJFDICSNSA-N 253.298 0.897 10 10 CCCE C[C@@H](O)c1ccc(N2C[C@H]3CS(=O)(=O)[C@H]3C2)cc1 2314889565 ITHKXOWFMXISLG-CDMKHQONSA-N 267.350 0.973 10 10 CCCE C[C@@H]1NC[C@]1(C(=O)O)N(C)Cc1ccccc1O 2323713397 AFZOIESVBPMEON-ZANVPECISA-N 250.298 0.639 10 10 CCCE CN[C@@H](C)c1ccc(N2C[C@@H]3C[C@H]2[C@@H](O)[C@H]3O)cc1O 2354485050 ZLRIPZMCHFSKIS-FGBYBXMZSA-N 278.352 0.603 10 10 CCCE COC(=O)[C@H]1CNC[C@H]1Cc1ccc(O)c(O)c1 1951603279 XRLVZZYNCYVYPX-ZJUUUORDSA-N 251.282 0.649 10 10 CCCE C[C@H](C(=O)Nc1ccc(N)cc1)N1CCNC(=O)C1(C)C 110652382 HTPJUZJOXXKNKX-SNVBAGLBSA-N 290.367 0.806 10 10 CCCE O[C@H]1CCc2cc(N3CC[C@@H]4C[C@H]3[C@H](O)[C@@H]4O)ccc21 2357587066 IBPVDULDMUNPQO-AFJPYQPYSA-N 275.348 0.987 10 10 CCCE COc1cc([C@@H]2CC(=O)N[C@@H]2C(=O)O)cc(O)c1O 1952137702 XZRSZSTWYHOCQY-WKEGUHRASA-N 267.237 0.163 10 10 CCCE C[C@@H](c1c(O)cccc1O)N1C[C@H](O)CC12CNC2 2130061815 JHWXEDXXXMLYKL-VHSXEESVSA-N 264.325 0.567 10 10 CCCE 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[N-]=[N+]=NCCN[C@]1(C(N)=O)CCOC[C@H]1C(F)(F)F 1912185064 LNGDFPAHYKBDTQ-HTRCEHHLSA-N 281.238 0.709 10 10 CCCE Cn1cccc1C(=O)NC(=O)CN1CC[C@@H](N=[N+]=[N-])C1 1912200730 KTVIKLWQJPUPDZ-SECBINFHSA-N 276.300 0.666 10 10 CCCE Cc1ccc(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2C)c(O)c1O 1455931246 GNROXOUPLHRRIU-SCZZXKLOSA-N 299.348 0.569 10 10 CCCE CC1(C)CN(c2ccc3c(c2)OCO3)C[C@H](CO)N1 217088674 BMSMUBXKRSBOID-SNVBAGLBSA-N 264.325 0.964 10 10 CCCE COc1ccc(N2CCN(C)C[C@H]2CN)cc1OC 217149095 LJFIXOHZCJVIFV-GFCCVEGCSA-N 265.357 0.783 10 10 CCCE O=C1Nc2cc(N3C[C@H](O)C34CCC4)ccc2[C@H]1O 2136749322 HEUUAWWLNIGEQR-NWDGAFQWSA-N 260.293 0.776 10 10 CCCE NC(=O)[C@@H](NC(=O)c1cc(O)cs1)c1ccccn1 1624831377 ILZWNDFVLGKWAM-JTQLQIEISA-N 277.305 0.805 10 10 CCCE O=C(CN1CCCNC1=O)NCc1cc(O)ccc1O 1558174012 BTXRBFWCQVZEGV-UHFFFAOYSA-N 279.296 0.129 10 10 CCCE Cc1ccc(C(=O)N2C[C@H](O)C[C@@]2(C)CO)c(O)c1O 1640905232 YXDBSAAUAYEFBL-OTYXRUKQSA-N 281.308 0.364 10 10 CCCE CC(C)CCCNC=C1C(=O)NC(=S)NC1=O 5858425 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COC[C@@H]1[C@@H](O)[C@H](O)CN1c1ccc(CN)cc1C 2225699733 GEHSFAFOKNKQPZ-MGPQQGTHSA-N 266.341 0.011 10 10 CCCE NC(=O)C1(O)CN(c2ccc3c(c2)OC(F)(F)O3)C1 2226703974 PRCTXKWRGWYHHT-UHFFFAOYSA-N 272.207 0.045 10 10 CCCE NC(=O)[C@@]1(O)CCN(c2ccc3c(c2)COCC3)C1 2226714048 VBMUBYRLTZREGF-CQSZACIVSA-N 262.309 0.186 10 10 CCCE COc1ccc(N2CC[C@@H](C)[C@@H]2C(N)=O)c(CN)c1 2227677094 GAYYHCGBNPECMK-NOZJJQNGSA-N 263.341 0.854 10 10 CCCE COC[C@]1(C)C[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2269202584 SCXWMIZIBFDVAC-MFKMUULPSA-N 267.281 0.958 10 10 CCCE Nc1ccc(NC(=O)CN2CC[C@H](O)[C@H](O)CC2)cc1 2284563956 SJLAFGCPQIFTPF-BETUJISGSA-N 279.340 0.025 10 10 CCCE Cc1cc(N2CCN(CC(N)=O)CC2)ccc1[C@@H](C)N 2285126066 XWBOWYFSLVVTLB-GFCCVEGCSA-N 276.384 0.622 10 10 CCCE COc1ccc(N2CC(O)(C(F)(F)CO)C2)c(CO)c1 2288525561 KAXQFAICQRTVCJ-UHFFFAOYSA-N 289.278 0.366 10 10 CCCE OCc1ccc(N2CC([C@@H](O)CO)C2)cc1Cl 2300048229 QLAICSSRBIMSOV-LBPRGKRZSA-N 257.717 0.622 10 10 CCCE Cc1c([C@H](C)N)ccc(N2C[C@@H](O)[C@H](O)C2)c1C 2318393104 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C[C@H](NC[C@]1(CO)COCCN1C)c1cc(F)ccc1O 903278054 CVWHFTFDWXTJER-NHYWBVRUSA-N 298.358 0.875 10 10 CCCE CN(C)c1ccc(/C=C\CNC[C@H](O)CO)cc1 835045153 KDYOTWWVHPYFLJ-NQHOJNORSA-N 250.342 0.709 10 10 CCCE CNCc1ccc(N2CC[C@@](C)(O)[C@H](O)C2)c(F)c1 1893332993 WJRFCCIGASGNNI-ZIAGYGMSSA-N 268.332 0.867 10 10 CCCE COC(=O)[C@H](N)[C@@H](OC)c1cc(O)c(O)c(OC)c1 1952536761 VFBMKKIZSBXRAJ-KOLCDFICSA-N 271.269 0.294 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@H]2C[C@@]23CCOC3)cc1 1896386232 BBWGUBCLZPOYAW-CHWSQXEVSA-N 282.365 0.867 10 10 CCCE COc1ccc(N2CC[C@H](NC(=O)COCCN)C2)cc1 852844407 UVIIEKQCWZGHAQ-LBPRGKRZSA-N 293.367 0.365 10 10 CCCE C[C@H](NC(=O)N[C@H]1CCN(C)C1=O)c1ccccc1O 868294892 SWFHIULLVIXIDL-ONGXEEELSA-N 277.324 0.983 10 10 CCCE NC(=O)[C@H]1CC[C@@H]1C(=O)N1Cc2cccc(O)c2C1 871205734 XLXYGGLGTAMYKC-UWVGGRQHSA-N 260.293 0.746 10 10 CCCE C[C@H](O)CNC(=O)[C@H](N)c1ccc(N(C)C)cc1 83385188 QCCYHZJGOPLTBS-JOYOIKCWSA-N 251.330 0.249 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1C[C@@H]1C1CC1 717031042 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O=[N+]([O-])c1cc(N2CC[C@@H](O)[C@H](F)C2)ccc1CO 2132057594 GAFCJIANNAHWHF-ZYHUDNBSSA-N 270.260 0.996 10 10 CCCE O=C(O)CN(C(=O)c1cc(O)c(O)c(O)c1)C1CC1 2132348635 PNUUCODDKQYSCZ-UHFFFAOYSA-N 267.237 0.493 10 10 CCCE C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@@H](CN=[N+]=[N-])C1 1912179199 SALPFDAIDQQDTL-GUBZILKMSA-N 254.290 0.949 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCN([C@@H]2CS(=O)(=O)C[C@@H]2O)C1 1912162782 AFHXALORNHARSW-AEJSXWLSSA-N 274.346 0.167 10 10 CCCE CN(CCCN=[N+]=[N-])CC(=O)N1CCC[C@@H](C(N)=O)C1 1912211144 SNWHMRGBVPLDSE-SNVBAGLBSA-N 282.348 0.343 10 10 CCCE C[C@@H]1[C@H](O)CCN1C[C@@H](O)COc1ccc(N)cc1 1914431099 UNHHNWOVSTYZRW-MPKXVKKWSA-N 266.341 0.464 10 10 CCCE O=C(C[C@H]1CNCCOC1)NCc1ccccc1O 2135948376 GDXQQKAJSAHBQC-NSHDSACASA-N 264.325 0.635 10 10 CCCE Cc1cc(C(=O)NC[C@@H](O)CO)c(C)n1-c1ccccn1 1456724002 ZKMYYPWJLWLYPJ-GFCCVEGCSA-N 289.335 0.572 10 10 CCCE CN1C(=O)[C@@H](O)c2ccc(N3C[C@@H](O)C3(C)C)cc21 2136626401 FMXXBUXOIWADQC-NEPJUHHUSA-N 262.309 0.656 10 10 CCCE COc1cccc(CNC[C@@](C)(O)CN(C)C)c1O 228727022 WOGJOBGLDMUGGQ-CQSZACIVSA-N 268.357 0.803 10 10 CCCE C[C@@H]1CS(=O)(=O)CCN1c1ccc(CN)cc1F 228723904 MIDXULNUPGYNND-SECBINFHSA-N 272.345 0.908 10 10 CCCE Cn1nnc2c(C(=O)NCc3cccc(O)c3O)ccnc21 1593739923 ZDKWIDPHNOXMIH-UHFFFAOYSA-N 299.290 0.705 10 10 CCCE COc1cc(N2C[C@H](OC)C[C@@H]2CO)ccc1CO 2139682370 GWJWEMSTHGHSNM-CHWSQXEVSA-N 267.325 0.774 10 10 CCCE N[C@@H]1CCc2cc(N3C[C@H](O)[C@@H](O)[C@H]3CF)ccc21 2140666232 VJMCRHNSDIUNCO-MQYQWHSLSA-N 266.316 0.513 10 10 CCCE O=C(O)[C@@H]1CCCN(C(=O)c2cc(O)c(O)c(O)c2)C1 1866303386 SZRIDFQIBXYIHD-SSDOTTSWSA-N 281.264 0.740 10 10 CCCE NC(=O)C1CCN(C(=O)CCc2ccc(N)cc2)CC1 20186620 WULMICIHKBFNCB-UHFFFAOYSA-N 275.352 0.925 10 10 CCCE O=C(O)[C@H](F)C1(O)CN(Cc2cc(F)cc(F)c2O)C1 1875538383 KKHXCTIYHYTCOF-JTQLQIEISA-N 291.225 0.640 10 10 CCCE Nc1cc2c(cc1N1CC3(CCN3)C1)NC(=O)CO2 1876259267 YMFHLIMGSMSEGF-UHFFFAOYSA-N 260.297 0.152 10 10 CCCE Nc1ccc(CC(=O)N2C[C@@H]3OCC[C@@H]3C2=O)cc1 1876419146 BTFDHRUHHDTPFA-RYUDHWBXSA-N 260.293 0.585 10 10 CCCE Nc1ccc(OCC(=O)N[C@H]2CCNC23CC3)cc1 1876457858 YYPDPSISRAXALC-LBPRGKRZSA-N 261.325 0.658 10 10 CCCE C[C@H](N)c1cc(F)c(N2C[C@@H](O)C[C@H](O)C2)c(F)c1 1880927196 JOLMHHPTHVVQHN-HGNGGELXSA-N 272.295 0.916 10 10 CCCE O=C(c1cccc(O)c1O)N1C[C@H]2CS(=O)(=O)C[C@@H]2C1 2144165605 BERLZAHHIKOILS-IUCAKERBSA-N 297.332 0.214 10 10 CCCE N[C@@H](CO)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1 250044110 ZQGRIYYHQRMEQT-PWSUYJOCSA-N 264.325 0.604 10 10 CCCE O=C(NC[C@@H]1C[C@@H](CO)CO1)c1cccc(O)c1O 1965520439 IEGLANSZLWBWDR-IUCAKERBSA-N 267.281 0.225 10 10 CCCE N[C@H]1C[C@@H]2CN(Cc3cc(F)ccc3O)CCN2C1=O 1972677831 UMRHBVPPKSFZCT-NEPJUHHUSA-N 279.315 0.275 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3CCS(=O)CC3)cc21 155748909 WVXWSFSISGWLHL-GFCCVEGCSA-N 279.365 0.232 10 10 CCCE CN[C@H](C)c1ccc(N2CCCC2(CO)CO)cc1O 2146075322 BTDGKICKLNTGBY-LLVKDONJSA-N 280.368 0.996 10 10 CCCE COC(=O)C[C@H](N)c1ccc2c(c1O)OCCO2 259975098 ADDXOEHPDUFAEN-QMMMGPOBSA-N 253.254 0.726 10 10 CCCE Nc1ccc(CCC(=O)N2CCO[C@H](CO)C2)cc1 167702803 PDIRKJOGGCIWPW-ZDUSSCGKSA-N 264.325 0.421 10 10 CCCE COc1ccc(N2CC[C@H](N(C)S(C)(=O)=O)C2)c(N)c1 2146917175 GFVWMSYBPBISFW-JTQLQIEISA-N 299.396 0.748 10 10 CCCE Nc1ccc(CCCS(=O)(=O)CC(=O)O)cc1 2009415474 CRXZZHGTASZVGA-UHFFFAOYSA-N 257.311 0.701 10 10 CCCE Nc1ccc(CN(C(=O)C2CS(=O)(=O)C2)C2CC2)cc1 2153750793 CWMCWZYWFKUQBI-UHFFFAOYSA-N 294.376 0.804 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CCOC[C@H](CO)C3)ccc21 2154455811 JUSRETZVKJANAQ-ZANVPECISA-N 277.324 0.084 10 10 CCCE NCc1ccc(N2CC[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 2033882086 VQVMDDDWCNJQGZ-YPMHNXCESA-N 266.366 0.769 10 10 CCCE CO[C@]1(C(=O)NCc2cc(N)ccc2O)CCOC1 402027589 HGJVBYJGROPNNW-CYBMUJFWSA-N 266.297 0.396 10 10 CCCE CCCN(CC(N)=O)C(=O)COc1ccc(N)cc1 311793121 JMWOIKAKJUPNGD-UHFFFAOYSA-N 265.313 0.372 10 10 CCCE NCc1ccc(N2CCC[C@@](O)(C(N)=O)C2)c(Cl)c1 311874456 UJTGEVCEQMCJEW-ZDUSSCGKSA-N 283.759 0.615 10 10 CCCE CN1C[C@@H](NCc2ccc3c(c2)CCN3C)CC1=O 312123523 XHKFMYKXRHWCRR-ZDUSSCGKSA-N 259.353 0.999 10 10 CCCE C[C@H](N)c1ccc(N2CCC(O)(CO)CC2)cc1O 313702611 HANARCFBXJICLN-JTQLQIEISA-N 266.341 0.736 10 10 CCCE C[C@H](O)CN1CCN(c2c(F)cc(CO)cc2F)CC1 2170227109 YFAXQFVKQPQQOX-JTQLQIEISA-N 286.322 0.960 10 10 CCCE NCCO[C@@H]1CCCN(C(=O)c2ccc(O)c(O)c2)C1 2170216178 NSOWEUSNEHATQH-LLVKDONJSA-N 280.324 0.678 10 10 CCCE CO[C@H](C)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 2161339177 KVZASPJHBPJRAU-KKZNHRDASA-N 282.340 0.507 10 10 CCCE Nc1ccc(O)c(CN2[C@H]3CC[C@H]2[C@H](O)CC[C@@H]3O)c1 2161391191 NLRAKLBPLQEGLW-NZBPQXDJSA-N 278.352 0.823 10 10 CCCE CNS(=O)(=O)[C@@H]1CCN(C(=O)Nc2ccc(N)cc2)C1 2170578705 BORJTKWDTIOKQV-LLVKDONJSA-N 298.368 0.424 10 10 CCCE COc1ccc(N2C[C@H](CO)[C@@H](CO)C2)c([N+](=O)[O-])c1 705352898 RHNGILBNNKRDCO-NXEZZACHSA-N 282.296 0.640 10 10 CCCE CN(Cc1nnnn1C)c1ccc(CO)cc1F 708264083 PDXNNDAEBBZMKA-UHFFFAOYSA-N 251.265 0.478 10 10 CCCE CN(C[C@H](O)COC(=O)Cc1ccc(N)cc1)C1CC1 380963089 PZTJOXODDZJGDF-AWEZNQCLSA-N 278.352 0.810 10 10 CCCE COc1cccc(CNCCN(C)S(C)(=O)=O)c1O 692466705 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Nc1ccc(O)c(CN2C[C@H](CO)[C@@H](CCO)C2)c1 2093501916 RSUZKJMRCUSLGH-CMPLNLGQSA-N 266.341 0.397 10 10 CCCE CC[C@]1(O)CCN(c2ccc3c(c2)NC(=O)[C@@H]3N)C1 2094381158 XHGNNAGCDNQBNJ-OCCSQVGLSA-N 261.325 0.990 10 10 CCCE O=[N+]([O-])c1ccc(N2C[C@@H]3C[C@H](O)[C@H]3C2)cc1CO 2095046078 DDALMKRDJXBKEX-QWRKXWFKSA-N 264.281 0.904 10 10 CCCE CCNCc1ccc(N2CC[C@H](O)[C@H](O)C2)cc1OC 2204555021 QQRJUMQKYSCOQH-UONOGXRCSA-N 280.368 0.737 10 10 CCCE CN(Cc1ccccc1O)C(=O)C12CC(CN)(CO1)C2 2207232440 SIXTWZAYSXVALM-UHFFFAOYSA-N 276.336 0.859 10 10 CCCE COc1ccc(N2CCCNC(=O)CC2)c(CN)c1 2227683719 YIHQQBLLDAODBD-UHFFFAOYSA-N 263.341 0.870 10 10 CCCE COc1ccc(N2CCC(=O)N(C)CC2)c(CO)c1 2227708648 KWTIUZJFPCCCLT-UHFFFAOYSA-N 264.325 0.856 10 10 CCCE COc1ccc(N2C[C@@H](CO)C[C@H](CO)C2)c(N)c1 2228398145 ANPVVJMHHGELQT-QWRGUYRKSA-N 266.341 0.705 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1C[C@H]2CCO[C@]2(CO)C1 2239909158 SSFRQEIILKOFCD-YGRLFVJLSA-N 279.292 0.321 10 10 CCCE CSc1ncc(CNC(=O)[C@H]2NCCO[C@@H]2C)s1 2256940464 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COC(=O)[C@H](N)C(C)(C)c1cc(O)c(O)c(O)c1 1952526181 WCNLTQDKVRXNQT-JTQLQIEISA-N 255.270 0.581 10 10 CCCE Cc1cc(O)c([C@H]2NC(=O)[C@H]3COCCN23)cc1C 93885079 ISUNGJLJFUOHNL-YPMHNXCESA-N 262.309 0.838 10 10 CCCE CC[C@H](C)C(=O)N1CCC[C@H](C(=O)OCC(=O)C(C)=O)C1 808511772 KEBVPUUVZHKVID-JQWIXIFHSA-N 297.351 0.972 10 10 CCCE C[C@@H]1OCCO[C@@H]1[C@H](NN)c1ccc2c(c1)CCN2C 2163160327 KYMJYBWCGRAUSO-VQISRLSMSA-N 277.368 0.987 10 10 CCCE CO[C@@H]1CC[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 724187197 IRMYFGZDKALDMY-OUJBWJOFSA-N 280.324 0.261 10 10 CCCE CN(C)c1ccc(/C=C/C(=O)NC[C@H](N)C(=O)O)cc1 701408496 DNDYLVRUBMWBFQ-ZCRIDZFUSA-N 277.324 0.294 10 10 CCCE COCCS(=O)(=O)C[C@@H](O)COc1ccc(N)cc1 722437824 AYOGXRIHAPQOQK-NSHDSACASA-N 289.353 0.070 10 10 CCCE CN(C)c1ccc(CNC(=O)CCNC(=O)CO)cc1F 906453252 FRCGYHCQFZFVSW-UHFFFAOYSA-N 297.330 0.007 10 10 CCCE CCCN(C(=O)c1nnn(C)n1)c1ccc(N)cc1 697241271 CGUMBKQWARJBKO-UHFFFAOYSA-N 260.301 0.849 10 10 CCCE CN(C)CCCN(C)CCNC(=O)Cc1ccc(N)cc1 852846159 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COCCNC(=O)[C@@H](C)NCc1ccc2c(c1)CCO2 228987862 XIDURMASLMHVHE-LLVKDONJSA-N 278.352 0.862 10 10 CCCE Nc1ccc(CC(=O)N[C@@H](CO)C[C@@H]2CCCO2)cc1 1926754371 KKSTZKFKUHNZIN-KGLIPLIRSA-N 278.352 0.858 10 10 CCCE C[C@H](NC(=O)[C@H]1CC[C@@H](C(N)=O)O1)c1ccccc1O 1648894987 YLDIYFFCQOZDHD-KPXOXKRLSA-N 278.308 0.602 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@H]2C[C@H]1[C@H]2CO 2138234486 NUEWTUIGBVKXCS-VGMNWLOBSA-N 265.265 0.256 10 10 CCCE CN(C)c1ccc(CN2CC(O)([C@@H](F)C(=O)O)C2)cc1 1875539745 UBECPHREPHDGJC-LBPRGKRZSA-N 282.315 0.722 10 10 CCCE COc1cc(N(C)Cc2ncn(C)n2)ccc1CN 2139683557 YAKPZNUVAVCZJE-UHFFFAOYSA-N 261.329 0.919 10 10 CCCE COC(=O)NS(=O)(=O)Nc1ccc(O)c(C(=O)O)c1 162809125 CRAOHNJLMNITDB-UHFFFAOYSA-N 290.253 0.103 10 10 CCCE C[C@@H](O)[C@@H]1CCN(C(=O)[C@@H](N)Cc2ccc(O)c(O)c2)C1 167724399 MGFMKSQTGPRGJM-JLLWLGSASA-N 294.351 0.197 10 10 CCCE CN(C[C@H](N)CC(=O)O)c1ccc2c(c1)OCCO2 259018813 YGAZVIKBXAJOGR-SECBINFHSA-N 266.297 0.696 10 10 CCCE Cn1ncnc1NS(=O)(=O)CCOc1ccc(N)cc1 127054633 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10 10 CCCE Nc1ccc(O)c(CNC(=O)c2cnnn2C2CC2)c1 2153893530 YJNJLOKOUVMFES-UHFFFAOYSA-N 273.296 0.831 10 10 CCCE O=C(NCC1CC(CO)C1)c1cccc(O)c1O 2049507058 UDEQLLBAWKJUIC-UHFFFAOYSA-N 251.282 0.846 10 10 CCCE C[C@H](N[C@@H]1COC[C@H]1CO)c1cc(O)ccc1O 2029842966 BZBOXKQNNQFUEH-YGOYTEALSA-N 253.298 0.756 10 10 CCCE COC[C@@H](N[C@H](C)c1ccc(F)cc1O)C(N)=O 2034942302 YBPIRKUITIQEDD-GMSGAONNSA-N 256.277 0.682 10 10 CCCE CO[C@H]1COC[C@H]1CNCc1ccc(O)c(O)c1 2036607656 IFFWNGNUFOCDCK-MFKMUULPSA-N 253.298 0.849 10 10 CCCE Nc1ccc(OCCN2CC[C@@H]3C(=O)NC[C@@H]3C2)cc1 2157172723 SLQNUMOAQNWSAH-RISCZKNCSA-N 275.352 0.716 10 10 CCCE C[C@H](N)c1ccc(N2CCC(O)(C(N)=O)CC2)cc1O 312230045 ACOKTAATBOVPLS-VIFPVBQESA-N 279.340 0.229 10 10 CCCE CC(=O)c1ccc(O)c(CN2C[C@H](O)[C@@H]3COC[C@H]32)c1 2158385380 DJLFDUZXIKKISE-NFAWXSAZSA-N 277.320 0.786 10 10 CCCE Nc1ccc(OCCC(=O)N2CCCNC(=O)C2)cc1 87882911 FMDBHAIASQYFPW-UHFFFAOYSA-N 277.324 0.386 10 10 CCCE COCCNCc1ccc(N2CC(O)C2)c(C#N)c1 384097863 DRURHIJOUPTBLL-UHFFFAOYSA-N 261.325 0.475 10 10 CCCE NC(=O)c1cccc(N)c1NC1CCC(C(N)=O)CC1 716718779 ZUMMWBKSVMGXMS-UHFFFAOYSA-N 276.340 0.824 10 10 CCCE C[C@H]1[C@@H](CO)CCN1S(=O)(=O)Cc1ccc(N)cc1 385771565 YTZVMOCGNVFPSA-CMPLNLGQSA-N 284.381 0.801 10 10 CCCE C[C@](NCCCN=[N+]=[N-])(C(N)=O)[C@@H]1CCCNC1 722085417 KSPNUNVHKSZTRO-MWLCHTKSSA-N 254.338 0.520 10 10 CCCE C[C@H](NCCc1nc(=O)o[nH]1)c1cc(O)ccc1O 392257250 NVKBTMLTHBLWMX-ZETCQYMHSA-N 265.269 0.667 10 10 CCCE Nc1ccc(NC(=O)CCN2C[C@@H]3C[C@H](C2)C3O)cc1 2172927382 AWTXQRLNFYUSLZ-YWXMQNBFSA-N 275.352 0.910 10 10 CCCE CN(Cc1ccc(N)cc1)c1ccc2nc(=N)[nH]n2n1 2173834638 AJQWUPTZQDMBMM-UHFFFAOYSA-N 269.312 0.755 10 10 CCCE COc1ccc(CNC(=O)c2nc(C)n(C)n2)c(O)c1 2064921977 NNVFLDYDCZEVHO-UHFFFAOYSA-N 276.296 0.768 10 10 CCCE OCc1ccc(N2CCCN(C[C@H](O)CO)CC2)cc1 2178027696 LGNVKKMHWNRKGK-HNNXBMFYSA-N 280.368 0.044 10 10 CCCE CCNC(=O)C1CN(c2ccc3c(c2)NC(=O)[C@H]3O)C1 2168050199 WMFYCKPIHPENCB-LBPRGKRZSA-N 275.308 0.244 10 10 CCCE COc1cc(N)c(N2CCO[C@H]3COC[C@@H]32)cc1OC 2192664038 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C[C@@H]1C[C@@H](N)CN1S(=O)(=O)Cc1ccc(N)cc1 2071733291 BULZHVSAGBCYRN-BXKDBHETSA-N 269.370 0.520 10 10 CCCE COc1ccc(N2CCO[C@@H](CCN)C2)c(N)c1 2071850976 ITDASCTUTHSMQC-NSHDSACASA-N 251.330 0.831 10 10 CCCE COC1(C(=O)N[C@H](C)c2ccccc2O)CNC1 2072491608 SHFABUDIMARPRP-SECBINFHSA-N 250.298 0.558 10 10 CCCE CN1CCc2cc([C@@](C)(N)C3CS(=O)(=O)C3)ccc21 2106792044 YYNFJTYYVMMBCZ-CQSZACIVSA-N 280.393 0.897 10 10 CCCE CN(C)c1ccc(CNC(=O)c2cc(=N)[nH][nH]2)cc1 2087523574 OXUJRIBTFZDUBV-UHFFFAOYSA-N 259.313 0.818 10 10 CCCE CO[C@@H]1CC(O)([C@@H](N)c2ccccc2O)C[C@H]1OC 2109818824 XTOPDXUJVRGUNC-UPJWGTAASA-N 267.325 0.947 10 10 CCCE COc1ccc(N2CCN(C(=N)NC#N)CC2)cc1 2090123229 ALPMWYRONADDKF-UHFFFAOYSA-N 259.313 0.823 10 10 CCCE Nc1ccc(OCC(=O)N[C@H](CO)CC2CC2)cc1 2090429856 HYVKNDKXMKLFDY-LBPRGKRZSA-N 264.325 0.925 10 10 CCCE O=C1Nc2cc(N3C[C@H]4[C@@H](O)C[C@H]4C3)ccc2[C@H]1O 2095046324 FQAROWRNJJWZPL-VFHFYPCJSA-N 260.293 0.489 10 10 CCCE COc1cccc(CN[C@H]2CN(C)C[C@H]2OC)c1O 2095437252 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[N-]=[N+]=NC[C@H]1CCCN1C(=O)[C@H]1CC[C@H](C(=O)O)O1 2225792041 JOQIIENRQSCBLB-IWSPIJDZSA-N 268.273 0.920 10 10 CCCE COc1ccc(N2CC(=O)N(C)[C@H](C)C2)c(CO)c1 2227710102 BKCLJTCRBWEGCU-SNVBAGLBSA-N 264.325 0.854 10 10 CCCE Oc1ccc(CN[C@H]2CCn3cnnc3C2)cc1O 2228340384 LNBZIFWMCJAGCY-JTQLQIEISA-N 260.297 0.794 10 10 CCCE CSc1ncc(CNC(=O)c2nonc2N)s1 2248651331 LYOQVGIJRJPBDO-UHFFFAOYSA-N 271.327 0.760 10 10 CCCE Nc1ccc(CN(CC(=O)O)[C@@H]2CCOC2)cc1 2259894654 KSLRRHGFMHHBIX-GFCCVEGCSA-N 250.298 0.944 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N3C[C@H]4COC[C@H]3C4)cc21 2286929947 COEMARJIHNIGGV-PXWWUCIGSA-N 273.336 0.888 10 10 CCCE CCN(CCN=[N+]=[N-])C(=O)NCS(=O)(=O)CC 2300526488 TYEBZZZNCXQASL-UHFFFAOYSA-N 263.323 0.720 10 10 CCCE OCCOCCN1CCc2cc(O)c(O)cc2C1 2318673500 PJLYVGHHCJCCAP-UHFFFAOYSA-N 253.298 0.465 10 10 CCCE C[C@@H](N)c1ccc(N2C[C@@H]3C[C@H]2[C@H](O)[C@@H]3O)c(F)c1 2329329158 RUGMTPBIQKQIKQ-MAQCBKMQSA-N 266.316 0.776 10 10 CCCE NC[C@H]1[C@@H]2C[C@@H]2CN1S(=O)(=O)Cc1ccc(N)cc1 2332560672 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CCCE COCCCC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 95034527 TVIZADWSZKATLQ-SNVBAGLBSA-N 297.307 0.636 10 10 CCCE CN1CCc2cc([C@H](O)[C@@]3(C(=O)O)CCNC3)ccc21 2164840289 NLAOILIJCSDILP-DZGCQCFKSA-N 276.336 0.777 10 10 CCCE CC(=O)C(=O)COC(=O)CN(C)c1ccccc1[N+](=O)[O-] 808523049 BYOLKDXFWUFZQO-UHFFFAOYSA-N 294.263 0.732 10 10 CCCE CO[C@@H]1CCOC[C@H]1Nc1c(N)cccc1C(N)=O 725041920 JLNKRQBWOPGEFD-GHMZBOCLSA-N 265.313 0.584 10 10 CCCE CC(C)(O)[C@@H](O)C(=O)NCc1c(O)cccc1F 928710815 KILOUWGJPOPMDY-JTQLQIEISA-N 257.261 0.279 10 10 CCCE C[C@@]1(CO)C[C@@H](O)CN1CC(=O)c1ccc(O)c(O)c1 699284629 DMURZCIWQBYODX-YGRLFVJLSA-N 281.308 0.098 10 10 CCCE CS(=O)(=O)[C@H]1C[C@H](NC(=O)c2cc(O)cs2)C1 882676446 KYRREFAWYGHFJB-FKQCQYRASA-N 275.351 0.759 10 10 CCCE CN1CCN(c2ccc(OCC(=O)O)cc2)CC1 82659302 LIHUFITYGIANJY-UHFFFAOYSA-N 250.298 0.902 10 10 CCCE Cc1cccc([C@H](N)c2nnc(CC(=O)O)o2)c1O 83458163 NDOFYJNTLBZNQW-JTQLQIEISA-N 263.253 0.759 10 10 CCCE CS(=O)(=O)N[C@H]1CCCN(CCc2ccc(N)cc2)C1 703018815 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Nc1ccc(NC(=O)N2CCNC[C@@H]2C(=O)O)cc1 1876153728 XORXVMXGTRDWLQ-SNVBAGLBSA-N 264.285 0.159 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CCCC[C@@H](N)C2)cc1 1876173079 BRQHIPRMBBORHH-CYBMUJFWSA-N 283.397 0.912 10 10 CCCE Nc1ccc(OCC(=O)N[C@@H]2[C@H]3CCCN[C@@H]32)cc1 1876443846 WOIHXPXRCDLTOH-FPMFFAJLSA-N 261.325 0.514 10 10 CCCE COc1ccc(N2CC[C@@](C)(O)[C@](C)(O)C2)c(N)c1 1880708483 PQUWCRKYDIQVLU-ZIAGYGMSSA-N 266.341 0.990 10 10 CCCE C[C@@H]1NC(=O)CC[C@H]1NC(=O)Cc1ccc(O)c(O)c1 1963160666 NRYILJFOXQVVPY-WCBMZHEXSA-N 278.308 0.424 10 10 CCCE Cc1ccc(CN[C@@H]2C[C@H]3C[C@H]2[C@@H](O)[C@H]3O)c(O)c1 1974157087 KITLTWYIBLRAFH-MYYUVRNCSA-N 263.337 0.920 10 10 CCCE CN(C)[C@@H]1CN(CCCOc2ccc(N)cc2)C[C@@H]1O 2146137600 KBVDKOGDFXBCER-CABCVRRESA-N 279.384 0.644 10 10 CCCE Nc1ccc(OC[C@H](O)CN2C[C@@H]3C[C@@]3(CO)C2)cc1 2146310970 OEINULLPVGNTAD-LNSITVRQSA-N 278.352 0.323 10 10 CCCE CCO[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)CC[C@@H]1N 2146779316 XUUTUAFPLACGCY-VHSXEESVSA-N 281.312 0.071 10 10 CCCE CCNC(=O)CN(C)C(=O)COc1ccc(N)cc1 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NN[C@H](c1ccc2ncnn2c1)c1ccccc1O 2099810630 KKROCDPUJFGOGT-CYBMUJFWSA-N 255.281 0.988 10 10 CCCE CN(CCCN=[N+]=[N-])C[C@@H](O)CN1CCCCC1=O 2113451749 FUFDBZVZWCDZEK-LLVKDONJSA-N 269.349 0.992 10 10 CCCE COc1cc(N2CC[C@@H]3C(=O)NC[C@H]3C2)ccc1CN 2204554395 MLHCGLQVYYRLRN-AAEUAGOBSA-N 275.352 0.726 10 10 CCCE COC(=O)[C@H](CNCc1cccc(C)c1O)NC(C)=O 2204621980 OCQBPMBLZDARQX-LBPRGKRZSA-N 280.324 0.468 10 10 CCCE CN(C)C[C@@H]1COC[C@@H]1NC(=O)c1cccc(O)c1O 2206395609 YTLUCRCNUJDTOA-KOLCDFICSA-N 280.324 0.404 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@H]3COC[C@H]2C3)cc1 2271349335 AVHFESGQWULTFI-WCQYABFASA-N 282.365 0.819 10 10 CCCE OC[C@]1(O)CCN(c2ccc(OC3CC3)cc2)C[C@H]1O 2235098933 LTLRCIAZMPSOQW-HUUCEWRRSA-N 279.336 0.522 10 10 CCCE CN1CCN(c2ccc3c(c2)OCCO3)[C@@H](CCO)C1 2235113854 VERIQUQMSMWOPQ-ZDUSSCGKSA-N 278.352 0.961 10 10 CCCE COC(=O)N[C@H](C)CNCc1ccc(O)cc1O 2261518943 SDBAVHHAYMYFCT-MRVPVSSYSA-N 254.286 0.932 10 10 CCCE CC[C@@H]1[C@H](O)CCN1C(=O)c1cc(O)c(O)c(O)c1 2273217690 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CCCE CN1C[C@@H](c2ccc(N(C)C)c(F)c2)NCC1=O 1951892396 RUVZLZSPUWZGDZ-NSHDSACASA-N 251.305 0.994 10 10 CCCE CC(C)CN(CC(N)=O)C[C@@H](O)COc1ccc(N)cc1 42690855 VLIVAIRZKOPTJZ-CYBMUJFWSA-N 295.383 0.452 10 10 CCCE CNCc1ccc(N2CC[C@H](C(N)=O)C2)c(F)c1 234375284 WIWRFCSKSTWEEB-JTQLQIEISA-N 251.305 0.857 10 10 CCCE CC(=O)N(C(=O)NCCCNC=O)c1ccc(N)cc1 243281675 LAVKCOFSVVHTSC-UHFFFAOYSA-N 278.312 0.467 10 10 CCCE N[C@H](C(=O)O)c1c(O)c(Br)cc2c1OCO2 258384139 ACUSAWLYSHBBFD-LURJTMIESA-N 290.069 0.968 10 10 CCCE C=Cc1cc(OC)cc2c1N(C)C[C@H](C(=O)O)NC2=O 527430703 AIMFOMDNAVUURF-LLVKDONJSA-N 276.292 0.971 10 10 CCCE Nc1ccc(OCC(=O)NCC2(CCO)CC2)cc1 97817241 BURDDABLZTYFSC-UHFFFAOYSA-N 264.325 0.926 10 10 CCCE CC(=O)C(=O)COC(=O)[C@](C)(O)c1ccc(F)cc1 909890471 OAKQXEHUZGFSIK-CYBMUJFWSA-N 268.240 0.735 10 10 CCCE O=C(NCc1c(O)cccc1F)C1(CO)CCOCC1 928705991 NFTIJZJPTWRAGK-UHFFFAOYSA-N 283.299 0.937 10 10 CCCE C[C@](NCCCN=[N+]=[N-])(C(N)=O)C1CCNCC1 722036756 BCAXZCIZIZLYFS-LLVKDONJSA-N 254.338 0.520 10 10 CCCE Nc1ccc(N2CCN(CCn3cnnn3)C2=O)cc1 711893606 SSNDJDMVCULNBZ-UHFFFAOYSA-N 273.300 0.198 10 10 CCCE COC(CN(C)C(=O)Cc1ccc(N)cc1)OC 714661967 HFVPKSSXHDTSRF-UHFFFAOYSA-N 252.314 0.889 10 10 CCCE CN(C)c1ccc(CN[C@H]2CCC(=O)NC2=O)cc1 89753704 VWJBXILOEIZFJG-LBPRGKRZSA-N 261.325 0.647 10 10 CCCE NN[C@H](c1ccccc1O)c1cnc2cccnn12 2115630929 JBOVQNSPNYFERR-CYBMUJFWSA-N 255.281 0.988 10 10 CCCE CCO[C@@H]1CS(=O)(=O)C[C@H]1N1CCC[C@H]1CN=[N+]=[N-] 2123004376 JGQXWKVHKUFTOW-HBNTYKKESA-N 288.373 0.963 10 10 CCCE COc1cccc(CNC(=O)[C@H]2CCNC(=O)CC2)c1O 1324996706 RUXNWZHOZMGXCM-SNVBAGLBSA-N 292.335 0.933 10 10 CCCE C[C@H](N)[C@@H](O)C(=O)N(C)Cc1ccc(N(C)C)cc1 2120448071 XFUJZVVZEMISQH-GXFFZTMASA-N 265.357 0.419 10 10 CCCE O=C1C[C@@H](NCc2ccc(O)cc2O)[C@H]2CCCN12 2131980540 VYRWIJDUKOAAHA-VXGBXAGGSA-N 262.309 0.951 10 10 CCCE O=C(N[C@H]1CC[C@@H](CO)C1)c1cc(O)c(O)c(O)c1 2132348897 VFSCVIMIPFEUAN-APPZFPTMSA-N 267.281 0.694 10 10 CCCE C[C@@H](CCN)CCNC(=O)c1cc(O)c(O)c(O)c1 2132413820 QLDRMMUZWXJRRI-QMMMGPOBSA-N 268.313 0.908 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCCN(CCS(N)(=O)=O)C1 1912197933 AJKYFSNWSYVBNB-SECBINFHSA-N 261.351 0.687 10 10 CCCE CCOC(=O)[C@]1(NCCN=[N+]=[N-])C[C@H]2OCC[C@@H]21 1912165073 FXIBODVAFNSMDH-NGZCFLSTSA-N 254.290 0.997 10 10 CCCE CC(C)[C@H](NC(N)=O)C(=O)N1CCC(N=[N+]=[N-])CC1 1912143166 BJNUPJWBOOTWTN-VIFPVBQESA-N 268.321 0.981 10 10 CCCE [N-]=[N+]=NC1CCN(C(=O)[C@@H]2CCCS2(=O)=O)CC1 1912183438 PGUBDZUOIGJVDM-VIFPVBQESA-N 272.330 0.865 10 10 CCCE [N-]=[N+]=N[C@@H]1CCN(CC(=O)NC(=O)c2ccc[nH]2)C1 1912200400 GWZJKJRZWOKIFC-MRVPVSSYSA-N 262.273 0.656 10 10 CCCE CC(C)(C)[C@H](NC(N)=O)C(=O)NCc1ccc(O)c(O)c1 1445899396 DPTHTZKAZPAUDI-LLVKDONJSA-N 295.339 0.797 10 10 CCCE O=C(c1c(F)ccc(O)c1O)N1CCn2cnnc2C1 1457613342 FTEYFUULBWOWIH-UHFFFAOYSA-N 278.243 0.484 10 10 CCCE O=C(O)[C@@H]1C[C@@H](O)CN(Cc2cc(F)ccc2O)C1 2136341393 ZTEVYVBKUYDDMC-MWLCHTKSSA-N 269.272 0.799 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@@]1(CN)CCCO1 1923290788 JGLCBKKFRHJDPS-AWEZNQCLSA-N 264.325 0.859 10 10 CCCE CO[C@H](C)C(=O)N1CCN(c2ccc(N)cc2)CC1 227928040 NWUKQSZYTDQQOU-LLVKDONJSA-N 263.341 0.952 10 10 CCCE O=C1Nc2cc(N3C[C@H]4C[C@H]3[C@@H]4CO)ccc2[C@@H]1O 2138271593 SHOQGNYGORQVHH-SJFDICSNSA-N 260.293 0.489 10 10 CCCE CC(C)[C@@H](NS(=O)(=O)Cc1ccc(N)cc1)C(N)=O 231032960 RJBGYZNXHPPEEO-LLVKDONJSA-N 285.369 0.198 10 10 CCCE CC(=O)C(=O)[C@]1(O)C[C@@H]2[C@@H]1CCN2C(=O)OC(C)(C)C 1933963409 OCMIXQWBCXEUBL-RBZYPMLTSA-N 283.324 0.905 10 10 CCCE Cc1cccc(C)c1NC(=O)C[C@H]1C(=O)NN(C)C1=O 169995994 FBQTXRKWFZWONQ-JTQLQIEISA-N 275.308 0.751 10 10 CCCE Nc1csc(S(=O)(=O)N2CCOCC2)c1O 202568436 DPQIVIZXDHRJLT-UHFFFAOYSA-N 264.328 0.057 10 10 CCCE CN(CCN1CCNCC1)c1ccc2c(c1)CCO2 258953658 RVLIHBUNUFTZSL-UHFFFAOYSA-N 261.369 0.963 10 10 CCCE CCN(CC)c1ccc(CNC(CO)(CO)CO)cc1 233451865 FRDDMPUMCJFNGT-UHFFFAOYSA-N 282.384 0.338 10 10 CCCE O=C(NC[C@@H]1C[C@@H]2NCC[C@@H]21)c1cccc(O)c1O 2140678501 BATNHCKSJWNOAM-NGZCFLSTSA-N 262.309 0.826 10 10 CCCE COCC[C@H]1CNCCN1C(=O)Cc1ccc(N)cc1 1122402836 PFDPTWYHIHOCNU-AWEZNQCLSA-N 277.368 0.648 10 10 CCCE CNCc1ccc(N2CCO[C@H](CS(C)(=O)=O)C2)cc1 2143669970 AQCMEVWWHMKIJT-AWEZNQCLSA-N 298.408 0.656 10 10 CCCE C[C@H](N)CCNS(=O)(=O)CCOc1ccc(N)cc1 1876411140 LZHQOLZYYGIXMQ-JTQLQIEISA-N 287.385 0.304 10 10 CCCE Nc1ccc(OCC(=O)N2CCC3(CNC3)C2)cc1 1876442566 NLMHELNLPFZIQI-UHFFFAOYSA-N 261.325 0.470 10 10 CCCE O=C(O)[C@@H]1C[C@@H](NCc2ccc(O)c(O)c2)CCO1 1880040776 HDJQINBNNKDZHF-CABZTGNLSA-N 267.281 0.820 10 10 CCCE O=C(N[C@@H]1CCN[C@@H]1C1CC1)c1ccc(O)c(O)c1 1885865724 LCRWNYMPLGVHEU-ZWNOBZJWSA-N 262.309 0.968 10 10 CCCE O=S(=O)(Nc1ccc(O)cc1)[C@@H](CO)C1CC1 2001997483 HSWAGBLRVBHROK-NSHDSACASA-N 257.311 0.905 10 10 CCCE Nc1ccc(OCCC(=O)N2CC[C@@H](O)[C@H](F)C2)cc1 2144587842 JFUXGOROFTYSFP-CHWSQXEVSA-N 282.315 0.969 10 10 CCCE C[C@@]1(C(=O)NCCc2ccc(O)c(O)c2)COC[C@H]1N 2148004537 PGHALPSSURSJCT-TZMCWYRMSA-N 280.324 0.120 10 10 CCCE COc1cccc(CNC[C@H](CCO)OC)c1O 1972494434 FQDLGWQQNOQLLM-NSHDSACASA-N 255.314 0.888 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@H]2CCNC2)cc1 2016965730 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LMBDRXSUWUHGRF-UHFFFAOYSA-N 277.324 0.372 10 10 CCCE COc1cccc(O)c1CN[C@@]12CC[C@@H](C1)[C@H](O)[C@@H]2O 2177039863 OIEAKCTVBGZJME-BCZWGYKPSA-N 279.336 0.765 10 10 CCCE C[C@@H](CNCc1cccc(Cl)c1O)S(N)(=O)=O 398227476 GGMPZHGRZOTTOA-ZETCQYMHSA-N 278.761 0.812 10 10 CCCE C[C@@H]1CC[C@H](O)CN1S(=O)(=O)Cc1ccc(N)cc1 399229318 BIZODFSZVLYEPZ-MFKMUULPSA-N 284.381 0.944 10 10 CCCE NC[C@@H]1C[C@H](F)CN1C(=O)Cc1ccc(N)cc1 834553474 PGCHUKKGZHWIAJ-JQWIXIFHSA-N 251.305 0.709 10 10 CCCE COCCS(=O)(=O)NCCc1ccc(O)c(O)c1 1259973612 AORKXBRGAFWCQS-UHFFFAOYSA-N 275.326 0.206 10 10 CCCE [N-]=[N+]=NC[C@H]1CCN(C[C@@H](O)CN2CCCCC2=O)C1 2169774415 ITTGPFDBHBFEBJ-VXGBXAGGSA-N 281.360 0.992 10 10 CCCE COc1cc(N)c(N2C[C@@H](O)[C@H](O)C2(C)C)cc1OC 2181205885 FUIBQPFPXDQAGK-MFKMUULPSA-N 282.340 0.606 10 10 CCCE COC[C@](C)(CO)N(C)c1ccc(CO)c([N+](=O)[O-])c1 2188577067 LIIUWYREZQLQSN-ZDUSSCGKSA-N 284.312 0.921 10 10 CCCE CC1(C)[C@H](NC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1C(=O)O 2188867522 CAWMOXNFUNGHSS-PSASIEDQSA-N 281.264 0.642 10 10 CCCE C[C@@H](N)c1ccc(N2CC(NC(N)=O)C2)c(F)c1 2044811724 CMNXGJPWUQPDNX-SSDOTTSWSA-N 252.293 0.702 10 10 CCCE COc1cc([C@H](NCCN=[N+]=[N-])C(N)=O)ccn1 2048154378 OIENHKUPWJUASV-VIFPVBQESA-N 250.262 0.517 10 10 CCCE C[C@H]1C[C@H]1N(CCO)C(=O)c1cccc(O)c1O 2048244166 MARZGDUMNIFEBO-WCBMZHEXSA-N 251.282 0.941 10 10 CCCE C[C@H](O)[C@@H]1CN(c2ccc(CN)c(F)c2)CCO1 2053844975 KSCFBFLEYHTBQI-ZANVPECISA-N 254.305 0.870 10 10 CCCE Nc1ccc(OCC(=O)NC[C@@H]2CC(F)(F)CN2)cc1 2191758090 OLABCOOURNCKOU-JTQLQIEISA-N 285.294 0.761 10 10 CCCE CN(C(=O)c1cc(O)c(O)c(O)c1)[C@H]1CCOC1 2068576481 IZUMXGPTRLAXKJ-QMMMGPOBSA-N 253.254 0.664 10 10 CCCE COCCNCCN(C)Cc1ccc(O)c(O)c1 2068612268 IEICNYAULOWZOY-UHFFFAOYSA-N 254.330 0.766 10 10 CCCE CN(Cc1ccccc1O)CC1(O)CC(CN)C1 2072450580 LZSKDAAKANPSTL-UHFFFAOYSA-N 250.342 0.924 10 10 CCCE C[C@@](C[C@H]1CCCS1(=O)=O)(NCCN=[N+]=[N-])C(=O)O 2100548606 QGHXZQVBDUGQPV-SCZZXKLOSA-N 290.345 0.697 10 10 CCCE C[S@](=O)(CC1CNC1)=NC(=O)c1ccc(O)c(O)c1 2109488458 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CCS(=O)(=O)CNC(=O)NCCc1ccc(N)cc1 2225541328 WTPADONGFQAXLL-UHFFFAOYSA-N 285.369 0.503 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)[C@@H]2CCN[C@H]2C2CC2)C1 2253712236 CCUBISMKEINXPG-VUXODMRMSA-N 250.342 0.640 10 10 CCCE CCOC(=O)[C@@]1(NCCN=[N+]=[N-])COC2(COC2)C1 2270760926 CUXHKPMLOVXGMN-NSHDSACASA-N 270.289 0.378 10 10 CCCE Cc1cc(N2CC(O)(C(F)(F)CO)C2)ccc1CN 2272891672 DIIUWLKNFHOLCH-UHFFFAOYSA-N 272.295 0.632 10 10 CCCE Cc1cc(N2CC3(C2)OC[C@H](O)[C@@H]3O)ccc1[C@@H](C)O 2285173537 ODOUCYJBNFGUQO-SWHYSGLUSA-N 279.336 0.359 10 10 CCCE Cc1cc([C@@H](C)O)ccc1N1C[C@H](O)[C@@H](O)[C@@H](CO)C1 2289357304 FUFYXRHQMGHPPW-DWZYQQQCSA-N 281.352 0.199 10 10 CCCE O=C1Nc2cc(N3C[C@@H](O)[C@H](F)C3)c(Cl)cc2[C@@H]1O 2328761727 HBSMYBDRZZWZME-ONOSFVFSSA-N 286.690 0.845 10 10 CCCE Oc1ccc(CCNCC[C@H]2CNCCO2)cc1O 2344669493 VEQCSDFYCLERLK-LBPRGKRZSA-N 266.341 0.608 10 10 CCCE N[C@@H]1C[C@@H]2C[C@H]1C[C@H]2NC(=O)Cc1ccc(O)c(O)c1 2354683710 GKHJVJLVHAUYLN-NNYUYHANSA-N 276.336 0.882 10 10 CCCE C[C@H](CNC(=O)c1ccc(O)c(O)c1)CC(=O)O 235461627 ZZIAHHPKRYERJT-ZETCQYMHSA-N 253.254 0.938 10 10 CCCE CC1(C)CO[C@@H](CO)CN1C(=O)c1cc(O)nc(O)c1 2167526875 MCUNMHASKZUJJX-SECBINFHSA-N 282.296 0.105 10 10 CCCE CCOC(=O)[C@@H]1C[C@@]1(N)c1cc(O)c(O)c(OC)c1 1952888242 QRCGTGURWQQYBB-ISVAXAHUSA-N 267.281 0.843 10 10 CCCE O=C(NCc1c(O)cccc1F)[C@@H](O)C1CCOCC1 928705299 IZUACLIPDNJXTB-ZDUSSCGKSA-N 283.299 0.935 10 10 CCCE O=S(=O)(NCCCNCc1ccccc1O)C1CC1 1964611078 ZJSLWZUWUSVSES-UHFFFAOYSA-N 284.381 0.954 10 10 CCCE O=C(CN1CCOCC1=O)NCc1c(O)cccc1F 928708984 UNXBHTFLTFQYBJ-UHFFFAOYSA-N 282.271 0.006 10 10 CCCE NC1(CNC(=O)NCc2ccccc2O)CCOCC1 861668336 PLDLEEBRJMLATK-UHFFFAOYSA-N 279.340 0.699 10 10 CCCE O=C(/C=C/c1ccc(O)c(O)c1)NCc1cnn[nH]1 779531511 NIHNAFHSRZQXIU-DUXPYHPUSA-N 260.253 0.546 10 10 CCCE CC(=O)N1CCOc2ccc(N3CCNCC3)cc21 82319040 GFVPSZXGKXFGTO-UHFFFAOYSA-N 261.325 0.842 10 10 CCCE COc1cccc([C@H](N)c2nnc(CO)o2)c1O 83384290 SWOMSICRKHSCGS-VIFPVBQESA-N 251.242 0.324 10 10 CCCE COCCNC(=O)[C@@H](N)c1cc(Cl)ccc1O 83431012 QFMARRMMHBKKBJ-JTQLQIEISA-N 258.705 0.808 10 10 CCCE CCNCc1ccc(N2CC[C@@H](NS(C)(=O)=O)C2)cc1 705527372 MDPDAACKYWVARX-CYBMUJFWSA-N 297.424 0.924 10 10 CCCE NCC1(NC(=O)c2cc(O)nc(O)c2)CCCCC1 707851356 UOYIWEVKXNNRQT-UHFFFAOYSA-N 265.313 0.884 10 10 CCCE COc1ccc(CNc2cncc(C(N)=O)n2)c(O)c1 795285929 WECSJWJQYWZLQN-UHFFFAOYSA-N 274.280 0.902 10 10 CCCE Cn1ccc(=O)c(C(=O)NCc2cccc(O)c2O)c1 1303194499 FILQUJWWCDJQBH-UHFFFAOYSA-N 274.276 0.727 10 10 CCCE O=C(/C=C/Cn1cncn1)NCc1cc(O)ccc1O 1303225440 IAMIQOWFVAPMCZ-OWOJBTEDSA-N 274.280 0.562 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@@H]3CCO[C@@H]3C2)cc1 2115399223 BJWXOJVXNXXVKY-WCQYABFASA-N 282.365 0.819 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3C[C@H]4C[C@H]3C[C@@H]4O)ccc21 2115466163 YMEVRZSLRUXVOM-RUNRMZSQSA-N 259.309 0.598 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)C2[C@H]3CS(=O)(=O)C[C@H]23)C1 2117935991 LGUHBWNVSDKVHV-CIUDSAMLSA-N 284.341 0.436 10 10 CCCE C[C@H](N[C@H]1[C@H]2CS(=O)(=O)C[C@H]21)c1cc(O)ccc1O 2118013805 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266.297 0.661 10 10 CCCE COc1ccc([C@@H](O)[C@H](N)c2ccccc2O)nn1 1913547707 DDEIYVIZTYXLEA-CHWSQXEVSA-N 261.281 0.924 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCN(S(=O)(=O)c2cccnn2)C1 1912191223 OQUFXVOGFRICNE-QMMMGPOBSA-N 268.302 0.798 10 10 CCCE [N-]=[N+]=NCCCNC1(C(N)=O)C[C@@H]2CC[C@H](C1)O2 1912206109 RHKWDGYPVNJDAW-SLHIUPAKSA-N 253.306 0.842 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1912204948 ZJCUBAOSUJKIEX-SFYZADRCSA-N 280.288 0.133 10 10 CCCE COc1cc(N)c(N2CCN(CCO)CC2)cc1OC 213468185 IPDDENCSMLFTHE-UHFFFAOYSA-N 281.356 0.400 10 10 CCCE COCc1ncc([C@H](NCCN=[N+]=[N-])C(=O)OC)[nH]1 1909926940 NGBMGTWYBXICAG-VIFPVBQESA-N 268.277 0.670 10 10 CCCE CC1(C(N)=O)CN(C(=O)CCOc2ccc(N)cc2)C1 1914213148 CIAKXBYHBLZYBP-UHFFFAOYSA-N 277.324 0.372 10 10 CCCE C[C@H]1CN(c2ccc3c(c2)OCO3)[C@H](CN)CN1C 216993934 ODYZZFAKVJURGA-CMPLNLGQSA-N 263.341 0.883 10 10 CCCE C[C@H](O)c1ccc(N2CC[C@H](O)[C@@](C)(O)C2)cc1O 2136879344 PMOMSICJALLIDZ-HERUPUMHSA-N 267.325 0.768 10 10 CCCE CN[C@@H](c1ccccc1O)[C@](C)(O)c1ncnn1C 1920731593 JROUTLZZCZJYFL-AAEUAGOBSA-N 262.313 0.689 10 10 CCCE O=C(NCc1cc(O)ccc1O)c1ccc[n+]([O-])c1 1558174364 KRMBUZYFVMVOIY-UHFFFAOYSA-N 260.249 0.661 10 10 CCCE COc1ccc(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)c(O)c1 1639455770 IEQPNGOHHBNTAA-NWDGAFQWSA-N 294.307 0.050 10 10 CCCE NC(=O)[C@H](NC(=O)c1cccc(O)c1O)c1ccccn1 1636269392 VQJSXFPBPBXWLS-LLVKDONJSA-N 287.275 0.449 10 10 CCCE Cn1cccc(C(=O)NCc2cc(O)ccc2O)c1=O 1643881866 IJLNNMNYKQIOQR-UHFFFAOYSA-N 274.276 0.727 10 10 CCCE O=C(N[C@@H]1CCCC[C@@H]1CO)c1cc(O)nc(O)c1 231360880 RDSBRJMHQDPTKI-PSASIEDQSA-N 266.297 0.774 10 10 CCCE Cc1cccc(CNC(=O)C[C@@H]2CNC[C@@H]2O)c1O 2139749951 AUAOSTDIJQKVNA-NEPJUHHUSA-N 264.325 0.287 10 10 CCCE O=C(CCNCc1ccc(O)cc1O)N1CCOCC1 134586405 ZDSXMNXWQCRARH-UHFFFAOYSA-N 280.324 0.436 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3CC[C@@](C)(O)C3)ccc21 234438205 QMMDKWNSBPNVQQ-GXTWGEPZSA-N 261.325 0.860 10 10 CCCE C[C@@H](CNCc1ccc(Cl)cc1O)S(N)(=O)=O 1942492548 ZXYIOAQMDAIKHM-ZETCQYMHSA-N 278.761 0.812 10 10 CCCE C[C@H]1OCC[C@]1(O)CNC(=O)Nc1ccc(N)cc1 1876149640 OITQSJMZKMCEIB-RNCFNFMXSA-N 265.313 0.930 10 10 CCCE Oc1ccc(CN[C@@H]2CCO[C@]23CCOC3)c(O)c1O 2144690980 FTXIUAQJBURWQG-RISCZKNCSA-N 281.308 0.841 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NC12CC(C(=O)O)(C1)C2 2148712557 FOXQQJXAXBHQDZ-UHFFFAOYSA-N 277.276 0.764 10 10 CCCE C[C@@H]1C(=O)NCCN1[C@H](C)C(=O)Nc1ccc(N)cc1 252413570 FCRFSGFSVURNMU-NXEZZACHSA-N 276.340 0.416 10 10 CCCE CN1CCN(C(=O)N(C)Cc2ccccc2O)CC1=O 1969895265 PPUCMHHZPUWWRY-UHFFFAOYSA-N 277.324 0.718 10 10 CCCE C[C@H](O)[C@@H]1CCN(c2ccc3c(c2)N(C)C(=O)[C@H]3N)C1 252764108 FRNUNSVUTHJSLO-RBZYPMLTSA-N 275.352 0.870 10 10 CCCE CN[C@@H](C)c1ccc2c(c1)CCN2C[C@H](O)C(=O)OC 2145832187 CFLDOQRQLSKSTF-HZMBPMFUSA-N 278.352 0.863 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1C[C@H](C2CC2)[C@@H](O)C1 2146832037 ZLJXHHAXVCBXJG-RISCZKNCSA-N 277.320 0.870 10 10 CCCE CNCc1ccc(N2C[C@@H](CO)[C@H](CCO)C2)c(F)c1 2149907469 JDEICIRKYJXDMO-OLZOCXBDSA-N 282.359 0.972 10 10 CCCE C[C@@H](CC(N)=O)N(C)CCC(=O)Nc1ccc(N)cc1 2151340216 KHNAWZDDTLHHOJ-JTQLQIEISA-N 278.356 0.793 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC(C2CC2)C1 2153560455 MQOAWKOQHOKSCI-LBPRGKRZSA-N 276.336 0.836 10 10 CCCE O=C(Nc1nnns1)c1cc(O)c(O)c(O)c1 2015076072 ZJNGQQJPWFAOEG-UHFFFAOYSA-N 254.227 0.302 10 10 CCCE [N-]=[N+]=N[C@H]1CCCN(C[C@H](O)CN2CCOCC2)CC1 2155561029 QANPONGSRFOFOD-STQMWFEESA-N 283.376 0.844 10 10 CCCE NCC=CCNS(=O)(=O)Cc1ccc(N)cc1 2016965908 GQCBTRYIHWYTNI-UHFFFAOYSA-N 255.343 0.203 10 10 CCCE OC[C@H]1COC[C@@H]1NCc1ccc(F)c(F)c1O 2029842037 VGAHMABKTPTVQE-WPRPVWTQSA-N 259.252 0.767 10 10 CCCE C[C@H](N)c1ccc(N2CC(OCCO)C2)cc1O 2034843526 JVUJVCMHKJKJGP-VIFPVBQESA-N 252.314 0.609 10 10 CCCE [N-]=[N+]=NCCCNC1(C(N)=O)CCN(C2CC2)CC1 311435176 DWKCISADTNALIF-UHFFFAOYSA-N 266.349 0.759 10 10 CCCE COc1ccc(N2CCN(CC[C@H](O)CO)CC2)cc1 312471636 XGZHTWABRNKBDZ-AWEZNQCLSA-N 280.368 0.561 10 10 CCCE NC[C@@]12CCC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 312742313 VMMABFZRXSMUGG-QMTHXVAHSA-N 277.324 0.694 10 10 CCCE CN1CC[C@H](N(C)C[C@@H](O)COc2ccc(N)cc2)C1 312937208 FRXRRKOOUSLCHB-UONOGXRCSA-N 279.384 0.644 10 10 CCCE NCc1ccc(N2C[C@@H](O)[C@H](CO)C2)cc1C(F)(F)F 317578290 BSECMCVPZSFBHX-JOYOIKCWSA-N 290.285 0.954 10 10 CCCE OCC1(CNCc2ccc(O)cc2O)CCOCC1 700910551 ORRJDCHUPACMSK-UHFFFAOYSA-N 267.325 0.977 10 10 CCCE CCO[C@H]1COCC[C@]1(NCCCN=[N+]=[N-])C(N)=O 686600702 CXOUEMLFVVJRTG-GXSJLCMTSA-N 271.321 0.326 10 10 CCCE CN(C)c1ccc(CNS(=O)(=O)[C@H]2CCNC2)cc1 687255360 WAKHIELNMSVEEV-ZDUSSCGKSA-N 283.397 0.534 10 10 CCCE CN1CCc2cc(CN[C@H]3COCC[C@@H]3O)ccc21 710913085 JMVROKLSPPCXLA-ZFWWWQNUSA-N 262.353 0.918 10 10 CCCE CCN[C@H](C)c1ccc(N2CC[C@@](O)(C(N)=O)C2)cc1 380360314 ICQPQBWZXAOMTH-ABAIWWIYSA-N 277.368 0.784 10 10 CCCE O=C(NCCCn1cnnc1)c1cccc(O)c1O 381340141 BKGSHVDHPAJNIY-UHFFFAOYSA-N 262.269 0.509 10 10 CCCE NC(=O)N1CC[C@H](NCc2cccc(O)c2O)C1 393340596 WZNNBQAHCHZVJT-VIFPVBQESA-N 251.286 0.340 10 10 CCCE O=S1(=O)C[C@@H]2C(CNCc3ccc(O)c(O)c3O)[C@H]2C1 2174613844 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0.343 10 10 CCCE CN1CCc2cc([C@H](N)[C@H]3CNCCOC3)ccc21 2107783527 XQGLLJNWROLDPX-ZFWWWQNUSA-N 261.369 0.915 10 10 CCCE CN1CCN(c2ccc(CO)cc2[N+](=O)[O-])[C@H]2C[C@@H]21 2112100229 CVKPXGBWVCNGNZ-RYUDHWBXSA-N 263.297 0.980 10 10 CCCE CN(C)c1ccc(CNS(=O)(=O)C2CC(N)C2)cc1 2094461654 ZFWNXDRNPDYQIW-UHFFFAOYSA-N 283.397 0.662 10 10 CCCE COc1ccc(O)c(CN[C@H]2CN(C)C[C@@H]2OC)c1 2095434211 LJGXIHKAOMAKMR-JSGCOSHPSA-N 266.341 0.819 10 10 CCCE Cc1cc(N2CCOC[C@@H]2C(N)=O)ccc1[C@@H](C)N 2269664543 BPYZRUMKZBASDD-ZWNOBZJWSA-N 263.341 0.705 10 10 CCCE [N-]=[N+]=NCCNC1(C(N)=O)CCC2(CCO2)CC1 2220115872 VPZYMUYFQGKSQV-UHFFFAOYSA-N 253.306 0.844 10 10 CCCE Cn1cnc(S(=O)(=O)Nc2ccc(O)c(N)c2)c1 2220566745 ZHNNCCDQPRBQAQ-UHFFFAOYSA-N 268.298 0.509 10 10 CCCE Cc1cc([C@@H](C)N)ccc1N1CC[C@H](O)[C@@H](O)C1 2223975139 KMUDKDWYEMUXKC-SWHYSGLUSA-N 250.342 0.947 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCCN(CCOCC(N)=O)C1 2224109032 BEZTYHKKACYWSZ-SNVBAGLBSA-N 255.322 0.901 10 10 CCCE Cn1c(=O)nc(O)c2c1ncn2Cc1ccc(N)cc1 2235922204 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C[C@@H](O)c1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)cc1Cl 2332916997 YKMHBRZWYKCFCV-KQXJFYCDSA-N 287.743 0.296 10 10 CCCE O=C([C@H]1CCNC1)N1CCc2cc(O)c(O)cc2C1 2341148814 XGVSKSIYLRBIBM-JTQLQIEISA-N 262.309 0.592 10 10 CCCE NC[C@H]1C[C@@H]1C(=O)N1CCc2cc(O)c(O)cc2C1 2341200584 GHALAWHJTJKYKW-KOLCDFICSA-N 262.309 0.577 10 10 CCCE Nc1ccc(OCCNC(=O)c2cnsn2)cc1 63130370 WYEXUQUNOGBANQ-UHFFFAOYSA-N 264.310 0.929 10 10 CCCE C[C@H](Cc1ccc(O)c(O)c1)C(=O)N1CC[C@@H](O)C1 170041465 IDUDWOWGCZQDQW-MWLCHTKSSA-N 265.309 0.870 10 10 CCCE Nc1ccc(OCCN2[C@H]3CC[C@@H]2C[C@H](O)[C@H]3O)cc1 2357051802 BRKVXVMVFRTMPA-UNQGMJICSA-N 278.352 0.606 10 10 CCCE O[C@H]1[C@@H]2CCN(c3ccc4c(c3)CC[C@H]4O)[C@@H](C2)[C@H]1O 2357587068 IBPVDULDMUNPQO-NFWSPEMXSA-N 275.348 0.987 10 10 CCCE C[C@H](NC(=O)CCOc1ccc(N)cc1)c1nnn[nH]1 44884692 GJVKHMLJMNYACN-QMMMGPOBSA-N 276.300 0.428 10 10 CCCE C[C@H](CNC(=O)c1ccc(O)c(O)c1)[S@](C)=O 226999819 DTTDNBRDMCRSGH-GJEGPGMTSA-N 257.311 0.595 10 10 CCCE CC(C)(C)OC(=O)N[C@H](C(=O)O)[C@H](O)CN=[N+]=[N-] 144695986 FXCAVYOPVJYKHA-RITPCOANSA-N 260.250 0.636 10 10 CCCE COc1cc(CN)cc(CN2CCN(C)CC2)c1O 642880048 HORWRRJXXADBEC-UHFFFAOYSA-N 265.357 0.607 10 10 CCCE Cc1cc(N2CCC[C@H](NS(C)(=O)=O)C2)ccc1CN 705797708 ZRFAUOSQBYUYDQ-ZDUSSCGKSA-N 297.424 0.972 10 10 CCCE CC[C@@H](C)[C@H](O)[C@@](N)(O)c1cc(C=O)ccc1O 575244474 AXJRAZJZHUVUHP-JCOFBHIZSA-N 253.298 0.716 10 10 CCCE CN1CCO[C@@H](CNC(=O)/C=C\c2ccc(O)c(O)c2)C1 588404543 BTHWJVAZQXDYAD-FHMRSRPSSA-N 292.335 0.558 10 10 CCCE CCCC(=O)NCC(=O)NCc1ccccc1O 748346700 UIXGIEOUJDNGPF-UHFFFAOYSA-N 250.298 0.925 10 10 CCCE C[C@@H](CC(=O)NCCc1ccc(O)c(O)c1)NC(N)=O 847589850 OEGCOFDWXFDBLU-QMMMGPOBSA-N 281.312 0.203 10 10 CCCE CCOC(=O)[C@@]1(c2ccc(O)c(CN(C)C)c2)C[C@H]1N 1952905584 GFABBNQPZLDOIR-UKRRQHHQSA-N 278.352 0.986 10 10 CCCE COC[C@H]1C(=O)N[C@@H](c2cc(F)ccc2O)N1C 840828197 GCEPHQNXWHBKTM-GXSJLCMTSA-N 254.261 0.607 10 10 CCCE O=C(CCc1nn[nH]n1)NCCCSc1nccs1 865782978 IYLFMJNHUUTQAR-UHFFFAOYSA-N 298.397 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CCCE CO[C@@H]1CN[C@H](CNC(=O)Nc2ccc(N)cc2)C1 1876152735 JZGXAXQZDSJIDZ-RYUDHWBXSA-N 264.329 0.767 10 10 CCCE Nc1ccc(NC(=O)NCC[C@H]2COC[C@@H]2O)cc1 1876165301 MCTRBICNKOCOSE-CABZTGNLSA-N 265.313 0.788 10 10 CCCE Nc1ccc(OCC(=O)NC[C@@H]2CCC[C@H]2N)cc1 1876521774 RUXYVJUUTZVNPU-GXFFZTMASA-N 263.341 0.891 10 10 CCCE CN(C)c1ccc(CNC(=O)[C@]2(C)C[C@H](O)CN2C)cc1 899983322 PCOIFRAQCAPZQX-HOCLYGCPSA-N 291.395 0.824 10 10 CCCE OC[C@@H]1CO[C@H](CNCc2cc3c(cc2O)OCO3)C1 1967895150 KLPQACSZDNWLIU-KOLCDFICSA-N 281.308 0.608 10 10 CCCE CN(C[C@@H]1CNCCO1)C(=O)Cc1ccc(O)c(O)c1 1971195549 FKEMVXZRXDGCAT-NSHDSACASA-N 280.324 0.087 10 10 CCCE C[C@H]1CNC[C@@H](C)N1C(=O)Cc1ccc(O)c(O)c1 1971215043 BRCFEBDECVLEJU-AOOOYVTPSA-N 264.325 0.849 10 10 CCCE C[C@H](NC(=O)Cc1ccc(O)c(O)c1)[C@H]1CCNC1 1971643223 NPTGRBYBSGVDLG-ONGXEEELSA-N 264.325 0.755 10 10 CCCE Cc1ccc(O)c(CN[C@@H]2C[C@H]3C[C@H]2[C@H](O)[C@@H]3O)c1 1974156880 JBVBWBFVAKSNTK-SYZWTGEBSA-N 263.337 0.920 10 10 CCCE CN(Cc1ccc(N)cc1)C(=O)c1ccc(=O)n(C)n1 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[N-]=[N+]=NCCCN[C@]1(C(N)=O)CC[C@@]12CCCO2 2042562414 KDKVWHFLOCNPET-QWRGUYRKSA-N 253.306 0.844 10 10 CCCE CN(C)c1ccc(CN(C)S(=O)(=O)CC2CNC2)cc1 2194415407 CBECJKNZHFHCGT-UHFFFAOYSA-N 297.424 0.734 10 10 CCCE CO[C@H]1COC[C@@H]1NC(=O)c1ccc(O)c(O)c1 2057136590 BJIBIKUWKYGEOZ-KWQFWETISA-N 253.254 0.241 10 10 CCCE O=C(N[C@@H]1COCC1(F)F)c1ccc(O)c(O)c1 2067443729 IULZABQYTCGBHP-SECBINFHSA-N 259.208 0.862 10 10 CCCE C[C@@H]1NCC[C@H]1NS(=O)(=O)Cc1ccc(N)cc1 2071698640 VGBAHDGFRBNQMU-JOYOIKCWSA-N 269.370 0.439 10 10 CCCE C[C@H](O)c1ccc(N2CCC2(CO)CO)c(F)c1 2073914817 PSJXPMSKERPSCC-VIFPVBQESA-N 255.289 0.813 10 10 CCCE CN(Cc1ccccc1O)S(=O)(=O)CC1CNC1 2073967849 HESCRBMGWXYEBQ-UHFFFAOYSA-N 270.354 0.373 10 10 CCCE Nc1ccc(CCN2CC[C@@H](O)C[C@@H]2CO)cc1 2080492668 UFDVACKUKKAQGP-ZIAGYGMSSA-N 250.342 0.629 10 10 CCCE N[C@@H]1C[C@H](O)CN(c2ccc3c(c2)OCCCO3)C1 2111797252 FQOISOHKDCENAI-PWSUYJOCSA-N 264.325 0.746 10 10 CCCE Nc1ccc(O)c(CN2CCO[C@@]3(CCOC3)C2)c1 2111921051 WKQSMQXOJCHJDQ-AWEZNQCLSA-N 264.325 0.966 10 10 CCCE CN(Cc1ccc(N)cc1)C(=O)[C@H]1CCCC(=O)N1 2092471119 BIEIFWHZDPTRID-GFCCVEGCSA-N 261.325 0.896 10 10 CCCE Cc1cc(CO)ccc1N1C[C@H](CO)[C@@H](CCO)C1 2093500945 GTNZECGTASGYJG-UONOGXRCSA-N 265.353 0.914 10 10 CCCE COc1cc(N2CC(=O)NC(=O)C2(C)C)ccc1CN 2204547771 LOJLBSINXNGHTA-UHFFFAOYSA-N 277.324 0.395 10 10 CCCE O=C(N[C@@H]1CNC[C@H](F)C1)c1cccc(O)c1O 2219125902 HZTTXEYCGFHZAD-SFYZADRCSA-N 254.261 0.528 10 10 CCCE CN(C(=O)CN1C[C@@H](O)C[C@@H](F)C1)c1ccc(N)cc1 2234679981 TYEHIZSZIWJEMF-MFKMUULPSA-N 281.331 0.636 10 10 CCCE COc1cc(N(C)[C@@H]2COC[C@H]2O)cc(OC)c1OC 2235133270 ZEPNELXFBWRXSG-GHMZBOCLSA-N 283.324 0.908 10 10 CCCE C[C@H](c1cc(O)ccc1O)N1C[C@@H]2CN[C@@H](CO)[C@H]2C1 2235570901 WKHBJDMWBABDBM-OAACRXHESA-N 278.352 0.671 10 10 CCCE C[C@H](O)c1ccc(N2CC[C@@](O)(CO)[C@H](O)C2)cc1 2225726902 MBEFPSMGKJPWIM-ZLKJLUDKSA-N 267.325 0.034 10 10 CCCE COc1ccc(N2CC[C@@]3(C[C@H](O)CO3)C2)c(CN)c1 2235971352 AIODBQLCIPAQFQ-SWLSCSKDSA-N 278.352 0.884 10 10 CCCE CN1CCc2cc(N3CC[C@H](O)[C@@H](CO)C3)ccc21 2226805698 KNVAQLYMAXRZCZ-DOMZBBRYSA-N 262.353 0.858 10 10 CCCE Nc1ccc(O)c(CN2C[C@H]3C[C@H](O)[C@@H](O)C[C@H]3C2)c1 2236973218 MPAXFOMVJPDISZ-OWLDWWDNSA-N 278.352 0.538 10 10 CCCE Cc1ccc(O)c(CN2C[C@@H]3CN[C@H](CO)[C@H]3C2)c1 2227318161 WFJMCTCXRXGVMK-MELADBBJSA-N 262.353 0.713 10 10 CCCE Cc1cc(CN)ccc1N1C[C@@H](CO)C[C@@H](CO)C1 2228406485 ZWGHISZUUMZSLW-OKILXGFUSA-N 264.369 0.881 10 10 CCCE Cc1cc(N2CC(CO)(CO)C2)ccc1[C@H](C)O 2257467769 VQISWYXUFVFELW-NSHDSACASA-N 251.326 0.839 10 10 CCCE NCc1ccc(N2CCC[C@H]3CNC(=O)[C@H]32)cc1F 2264601092 NYOHXJXTAIULTM-GWCFXTLKSA-N 263.316 0.999 10 10 CCCE COc1ccc(N2C[C@@H]3OC[C@H](CO)O[C@@H]3C2)cc1 2265007200 SRFGMZKKQZHQJV-MELADBBJSA-N 265.309 0.660 10 10 CCCE COC[C@@H]1[C@@H](O)[C@H](O)CN1c1ccc(OCF)cc1 2278511839 XINGTMUYRDEMRA-JHJVBQTASA-N 271.288 0.549 10 10 CCCE COc1ccc(N2C[C@@H]3OC[C@H](CO)O[C@H]3C2)cc1C 2279776074 SABIXXDKPLOPDS-QEJZJMRPSA-N 279.336 0.969 10 10 CCCE Nc1ccc(OCC(=O)N[C@H]2COC3(COC3)C2)cc1 2286283332 ZRPWKLQXBSIYJB-LLVKDONJSA-N 278.308 0.322 10 10 CCCE Nc1ccc(CCC(=O)N2CCOC3(CNC3)C2)cc1 2288585265 BNVZJGWONRQVMB-UHFFFAOYSA-N 275.352 0.402 10 10 CCCE CC(C)S(=O)(=O)N(C)Nc1nc2c(s1)CNC2 2301529229 YJYUDCPWKSYHHC-UHFFFAOYSA-N 276.387 0.743 10 10 CCCE CNCc1ccc(N2CC([C@@H](O)CO)C2)c(C)c1 2315146070 GIIJSBMYCYKQFE-AWEZNQCLSA-N 250.342 0.504 10 10 CCCE NC(=O)c1cccc(N)c1N[C@H]1CO[C@@H]2COC[C@@H]21 2329416496 JBKFJEVHPXPTFF-DVVUODLYSA-N 263.297 0.193 10 10 CCCE CNCc1ccc(N2C[C@@H](O)[C@H](OC)C2)cc1OC 2333188232 BGQJCHBWOIPEHE-TZMCWYRMSA-N 266.341 0.611 10 10 CCCE [N-]=[N+]=NC1CN(C(=O)[C@@H]2[C@@H]3CC[C@@H](O3)[C@H]2C(=O)O)C1 2333612804 ANRQZCJGNMUETQ-JQCXWYLXSA-N 266.257 0.386 10 10 CCCE CN[C@H]1CN(C(=O)c2cc(O)nc(O)c2)CC1(C)C 2336405445 NBOVUUSHZJBTSA-VIFPVBQESA-N 265.313 0.563 10 10 CCCE COCCN(C)CCNCc1cccc(O)c1O 61377786 QUEOHSPEJADMDH-UHFFFAOYSA-N 254.330 0.766 10 10 CCCE COc1cccc(CN2CCN3CCOC[C@H]3C2)c1O 368813202 DIAJYURIOYDGHO-CYBMUJFWSA-N 278.352 0.917 10 10 CCCE Nc1ccc(CC(=O)N2CSC[C@H]2C(=O)O)cc1 40469319 AUOOHCGBYVLMPI-JTQLQIEISA-N 266.322 0.797 10 10 CCCE CC(=O)N[C@@H]1CCN([C@@H](C)C(=O)Nc2ccc(N)cc2)C1 229776827 XVMILYXXOPVLBJ-IINYFYTJSA-N 290.367 0.806 10 10 CCCE C[C@@H](c1ccccc1O)N(C)C(=O)[C@@H]1COCCN1 88371173 NUXAGCYJUJXJFD-JQWIXIFHSA-N 264.325 0.900 10 10 CCCE CC(=O)NC1CN(C(=O)c2ccc(C)c(O)c2O)C1 191500110 DYWFXZNUTBVHGS-UHFFFAOYSA-N 264.281 0.367 10 10 CCCE C[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H](CN)C1 235637896 MFOMRVMOISGMNF-WCBMZHEXSA-N 265.313 0.692 10 10 CCCE C[C@@H]1CNCC[C@H]1NC(=O)c1ccc(O)c(O)c1 235295781 WAUAKGWMVOMPDU-PSASIEDQSA-N 250.298 0.826 10 10 CCCE CCNC(=O)[C@H]1CNCCN1[C@H](C)c1cc(O)ccc1O 250343248 QAUFERDGFBNXTL-ZWNOBZJWSA-N 293.367 0.569 10 10 CCCE C[C@@H]1CO[C@H](CO)CN1[C@H](C)C(=O)Nc1ccc(N)cc1 251939714 ZMMUWYTVUDIXRT-GYSYKLTISA-N 293.367 0.677 10 10 CCCE NC(=S)[C@@H]1COCCN1C(=O)c1cccc(O)c1O 700209453 HCORPRJLJSRVSK-QMMMGPOBSA-N 282.321 0.225 10 10 CCCE COC(=O)[C@H](CN(C)c1ccc(CN)cc1)NC(C)=O 2162688472 FXFQSSUUCLWDSF-ZDUSSCGKSA-N 279.340 0.259 10 10 CCCE CN(Cc1ccc(N)cc1)C(=O)[C@@H]1OCC[C@H]1C(=O)O 2162715373 OIZOUEXRJYTOCI-VXGBXAGGSA-N 278.308 0.717 10 10 CCCE CC(=O)C(=O)COC(=O)c1ccc2c(C=O)n[nH]c2c1 808532033 GNBIGSSZTNVOCS-UHFFFAOYSA-N 274.232 0.690 10 10 CCCE Nc1ccc(CCC(=O)NC[C@H](O)CCC(=O)O)cc1 2166537837 HWHUTWCZJRVSSW-GFCCVEGCSA-N 280.324 0.543 10 10 CCCE O=C(NCc1ccccc1O)[C@@]12CNC[C@H]1CCO2 705024589 HVMKEANHALKDBS-BXUZGUMPSA-N 262.309 0.387 10 10 CCCE C[C@@]1(C(=O)O)C[C@@H]1C(=O)NCCOc1ccc(N)cc1 713564971 AYNSOCZXQFQEIT-BXUZGUMPSA-N 278.308 0.875 10 10 CCCE O=C1CC(C(=O)NCCCSc2nccs2)=NN1 736680389 JVPBFCWUFAYSRF-UHFFFAOYSA-N 284.366 0.617 10 10 CCCE NC(=O)C[C@H]1CN(Cc2cc(F)ccc2O)CCO1 862535722 XDHAMJBTKIUBNW-NSHDSACASA-N 268.288 0.608 10 10 CCCE CCOC(=O)C[C@H](O)C(=O)NCc1cc(C)ccc1O 862755871 LUWYIUCSWMUHJR-LBPRGKRZSA-N 281.308 0.631 10 10 CCCE C[C@H]1CC(=O)NCCN1CC(=O)c1ccc(O)c(O)c1 707172847 ZVNMKPAJMBHYNQ-VIFPVBQESA-N 278.308 0.491 10 10 CCCE O=C1[C@H](NCc2cccc(O)c2O)CCN1C1CC1 708727014 WRBRERRNKXVIMM-LLVKDONJSA-N 262.309 0.951 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)[C@@H]1CCS(=O)(=O)C1 691687444 CPXWOQZAWLVCIN-BDAKNGLRSA-N 272.330 0.722 10 10 CCCE C[C@@H]1CN(C)C[C@H](CNC(=O)c2cccc(O)c2O)O1 697273724 OETRVJDQLCHPCF-ZJUUUORDSA-N 280.324 0.547 10 10 CCCE CC[C@@H](NCc1ccc(O)c(O)c1O)C(=O)NC 697872022 QXZIBNOZBYQZEV-MRVPVSSYSA-N 254.286 0.418 10 10 CCCE C[C@@H](O)c1ccc(N2CCN(C)C[C@@H]2CO)cc1 699535502 GTMHEDHUIFLWKH-BXUZGUMPSA-N 250.342 0.853 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@@H](CN)O1 94569025 KQNDJDOIZWUYOX-AAEUAGOBSA-N 264.325 0.857 10 10 CCCE O=C(C[C@H]1COCCO1)NCCc1ccc(O)c(O)c1 1916777785 HOGDQHVDJNLZGY-NSHDSACASA-N 281.308 0.562 10 10 CCCE Cc1ccc(C(=O)N2CC3(CNC(=O)O3)C2)c(O)c1O 1162426938 RQXSTMLKSCJPLE-UHFFFAOYSA-N 278.264 0.341 10 10 CCCE O=c1nc(CNCc2ccc3c(c2)CCCO3)[nH]o1 2116169642 DADNWCNYRXGJSH-UHFFFAOYSA-N 261.281 0.978 10 10 CCCE COc1cccc(O)c1CN(C)C1(C(=O)O)COC1 2116499144 ZQNZLEUICFXPGF-UHFFFAOYSA-N 267.281 0.686 10 10 CCCE CC1(C)C[C@@H](O)[C@H](O)CN1Cc1cc(N)ccc1O 2132134572 GSLOZVSWTGVREN-CHWSQXEVSA-N 266.341 0.681 10 10 CCCE C[C@@H]1C[C@@H](C(=O)O)N1C(=O)Cc1ccc(O)c(O)c1 1913210473 RGRTVLLTCKSIFW-APPZFPTMSA-N 265.265 0.714 10 10 CCCE O=C(NCCc1cocn1)c1cc(O)c(O)c(O)c1 2133425080 VMEHLFRFGOYVJU-UHFFFAOYSA-N 264.237 0.764 10 10 CCCE [N-]=[N+]=N[C@@H]1CCN(C(=O)[C@@H]2CCCS2(=O)=O)C1 1912145794 LHVPDLIETUFENF-SFYZADRCSA-N 258.303 0.475 10 10 CCCE CN1CCN(C)[C@H](CNC(=O)c2c(F)ccc(O)c2O)C1 1457632614 ALMIFLUJKCFHHF-SECBINFHSA-N 297.330 0.213 10 10 CCCE C[C@H]1CNC(=O)[C@@H](CN)N1c1ccc2c(c1)OCO2 216975542 KPJJILMSPPUZPF-WCBMZHEXSA-N 263.297 0.067 10 10 CCCE C[C@@H]1OC(=O)N[C@@H]1C(=O)NCc1ccc(O)cc1O 1630307664 YYEQKSGOAISQLE-WKEGUHRASA-N 266.253 0.211 10 10 CCCE CCn1nc(C)c(C(=O)NCc2cc(O)ccc2O)n1 1633598867 FESOUSOTZJLTIP-UHFFFAOYSA-N 276.296 0.948 10 10 CCCE CC1(C)C[C@H](N)CN1C(=O)c1cc(O)nc(O)c1 1927019222 KJIXWFXBGWXDNA-QMMMGPOBSA-N 251.286 0.445 10 10 CCCE Nc1ccc(OCC(=O)NC[C@H]2[C@H]3CN[C@H]2C3)cc1 2138286756 IGTCDGUQBQPWPV-ICCXJUOJSA-N 261.325 0.372 10 10 CCCE CCOc1ccccc1NC(=O)C[C@H]1C(=O)NN(C)C1=O 169996112 GEWCDAOOQGDGOI-VIFPVBQESA-N 291.307 0.533 10 10 CCCE NCc1ccc(N2CCOC[C@H]2C(=O)NC2CC2)cc1F 159323145 BQMBAWZEOUAVQW-AWEZNQCLSA-N 293.342 0.768 10 10 CCCE CN(c1ccc2c(c1)OCCCO2)C(CO)CO 258639455 FORHOSYGFPHBMN-UHFFFAOYSA-N 253.298 0.637 10 10 CCCE COC[C@@H](CNC(=O)COc1ccc(N)cc1)OC 234710296 ODVIYUYQJNDYLO-GFCCVEGCSA-N 268.313 0.425 10 10 CCCE CN1C[C@H](O)[C@H](NCc2ccc(Cl)cc2O)C1 1942691892 ZWVTVBSRBXZWBS-PWSUYJOCSA-N 256.733 0.810 10 10 CCCE O=C(O)C[C@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1 2144028981 GDLCVHMPPMSLJR-SNVBAGLBSA-N 279.292 0.964 10 10 CCCE Nc1ccc(NC(=O)N2CC[C@@](N)(C(=O)O)C2)cc1 1876153880 ZVGMSVLKHHBFHA-LBPRGKRZSA-N 264.285 0.289 10 10 CCCE COc1cccc(O)c1CN(CCO)CCC(=O)O 1963441458 GUZMOGYVMUHKEU-UHFFFAOYSA-N 269.297 0.670 10 10 CCCE C[C@H](NC(=O)[C@H]1COCC[C@H]1N)c1ccccc1O 1877589188 LCAAKYULXQUECB-ZMLRMANQSA-N 264.325 0.933 10 10 CCCE Cc1ccc(O)c(CN2CCN[C@@H]3CS(=O)(=O)C[C@H]32)c1 2143720225 ORKVAPGDHRNBHA-CHWSQXEVSA-N 296.392 0.271 10 10 CCCE CN(C[C@H]1CCS(=O)(=O)C1)C(=O)Cc1ccc(N)cc1 1970366389 WKRIGZVZFODPJK-GFCCVEGCSA-N 296.392 0.704 10 10 CCCE COC1(OC)CC[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 1972984753 MQIZIECXWPNROU-LBPRGKRZSA-N 281.308 0.908 10 10 CCCE CC1(CNC(=O)Cc2ccc(O)c(O)c2)CC(N)C1 1973856345 SGUDIDIFSMNFEQ-UHFFFAOYSA-N 264.325 0.884 10 10 CCCE N[C@@H]1C[C@@H](O)CN(Cc2ccc(Cl)cc2O)C1 2002698628 FJXBDEYWKYXPEQ-GHMZBOCLSA-N 256.733 0.940 10 10 CCCE N[C@@H](CCC(=O)O)c1cc(C(=O)O)c(O)cc1O 258422565 PZUIGRBVBBKGDV-ZETCQYMHSA-N 255.226 0.661 10 10 CCCE CN(C)c1ccc2c(c1)CCN2C[C@@H]1CCS(=O)(=O)N1 2146188971 GDSPHEKSZPLGGJ-LBPRGKRZSA-N 295.408 0.807 10 10 CCCE CN(Cc1ccc(N(C)C)cc1)C[C@@H]1CCS(=O)(=O)N1 2146189038 GMVMHNWCKJBJOY-ZDUSSCGKSA-N 297.424 0.876 10 10 CCCE COc1ccc(N2C[C@H](CO)C[C@@H]2CO)c([N+](=O)[O-])c1 2146129766 VJCLPSCXWMRZFB-NXEZZACHSA-N 282.296 0.783 10 10 CCCE CN(C(=O)CN1C(=O)CSC1=O)c1ccc(N)cc1 37273868 ZKXHEDYKNPMWGB-UHFFFAOYSA-N 279.321 0.927 10 10 CCCE COCCNCc1ccc(N(C)C2CS(=O)(=O)C2)cc1 2152240994 VUDHRYGXILLYRP-UHFFFAOYSA-N 298.408 0.656 10 10 CCCE COc1ccc(N2CCN(C(=O)[C@H](C)CN)CC2)cc1 44797098 DHSMVQVJDJHZQU-GFCCVEGCSA-N 277.368 0.939 10 10 CCCE CN(C)c1ccc(CNC(=O)[C@H]2CNC[C@H](O)C2)cc1 2155379520 IPBYTZRRWJHZHV-TZMCWYRMSA-N 277.368 0.339 10 10 CCCE NC[C@H]1C[C@H](O)CN1Cc1cc(Cl)ccc1O 2014241899 CXBUNNSCGDESRS-MNOVXSKESA-N 256.733 0.940 10 10 CCCE COCCNCc1ccc(OCC(N)=O)c(C)c1 2037494102 GZLVMKQCPANGGT-UHFFFAOYSA-N 252.314 0.595 10 10 CCCE COC[C@](C)(CCO)NCc1cccc(O)c1O 2040245994 BQNYYKXVASTLHO-ZDUSSCGKSA-N 255.314 0.975 10 10 CCCE CCOC(=O)NS(=O)(=O)N1CCC[C@@H](N=[N+]=[N-])C1 403691515 ZRBIYYHQXMDTCE-SSDOTTSWSA-N 277.306 0.752 10 10 CCCE COCC[C@@H](CO)NC(=O)Cc1ccc(N)cc1 310579361 XPRZPBSZJWEISB-LBPRGKRZSA-N 252.314 0.325 10 10 CCCE O=C(N[C@]1(C(F)(F)F)CCNC1)c1cc(O)nc(O)c1 2159811514 SHPBGYQDRRMOAZ-SNVBAGLBSA-N 291.229 0.517 10 10 CCCE C[C@@H]1CN(C(=O)Cc2ccc(N)cc2)CCS1(=O)=O 707293401 RBGHQKDIRZWCFW-SNVBAGLBSA-N 282.365 0.457 10 10 CCCE COc1ccc(CNC[C@@H](O)CN(C)C)c(O)c1 717358396 HJZRQFFUCYEZRF-LLVKDONJSA-N 254.330 0.413 10 10 CCCE C[C@H](NC(=O)c1ccc(O)c(O)c1)C1(CO)CC1 696020901 KQXJQEUGABNVKG-QMMMGPOBSA-N 251.282 0.989 10 10 CCCE C[C@@H]1CN(C(=O)COc2ccc(N)cc2)C[C@H]1O 387531372 CFPQOIUWAJFMKM-BXKDBHETSA-N 250.298 0.487 10 10 CCCE CCCN1CC[C@@](NCCN=[N+]=[N-])(C(=O)OC)C1 394084550 UUKVSLXLLFTLHD-NSHDSACASA-N 255.322 0.914 10 10 CCCE CN(C)C1CN(C[C@H](O)COc2ccc(N)cc2)C1 394678142 VVRMCESFAZAKQF-ZDUSSCGKSA-N 265.357 0.254 10 10 CCCE CCN(CCO)C(=O)c1cnn2c(O)cc(C)nc12 2064974791 LMDJRQHBQZRBKG-UHFFFAOYSA-N 264.285 0.198 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCN[C@H]1C1CC1 2196365454 WRUVVTXYHSHIHL-NHYWBVRUSA-N 276.336 0.897 10 10 CCCE COc1ccc(O)c(CNC2CN([C@@H](C)C(=O)O)C2)c1 2188304952 QAIDWVUSDAAGRQ-VIFPVBQESA-N 280.324 0.648 10 10 CCCE CN(c1ccc(CO)c([N+](=O)[O-])c1)[C@H]1CCCNC1=O 2188575057 FHJKYNVFOXQTIZ-NSHDSACASA-N 279.296 0.802 10 10 CCCE CN(C(=O)C12CC(C(=O)O)(CO1)C2)c1ccc(N)cc1 2181661547 FWGJVPHHELRIEG-UHFFFAOYSA-N 276.292 0.865 10 10 CCCE Nc1ccc(CC(=O)N2[C@H]3CC[C@H]2[C@H](O)[C@@H](O)C3)cc1 2190458446 NDPOICJKGDZIFF-ABHRYQDASA-N 276.336 0.296 10 10 CCCE COCCN[C@@H](C(=O)OC)c1c(O)cccc1F 2042598089 VSWGHMAWPSGIHM-LLVKDONJSA-N 257.261 0.981 10 10 CCCE CN(C[C@@H](O)CCC(=O)O)c1ccc(CN)cc1 2044360078 VHKBHYYCOYMESW-LBPRGKRZSA-N 252.314 0.807 10 10 CCCE CN(C)c1ccc([C@H](NN)[C@H]2COCCO2)cc1 2044733996 RAIJCPGQJMFFIE-OLZOCXBDSA-N 251.330 0.672 10 10 CCCE COCC[C@@](COC)(NCCCN=[N+]=[N-])C(N)=O 2047288360 MJXQSTFFJVBYBA-JTQLQIEISA-N 259.310 0.183 10 10 CCCE COC[C@H](CF)NS(=O)(=O)Cc1ccc(N)cc1 2053072462 AWKNVETXOWOIRC-NSHDSACASA-N 276.333 0.673 10 10 CCCE Nc1cc2c(cc1N1CC[C@@](N)(C(=O)O)C1)OCCO2 2191559068 KOIOXKJFJRLQKB-ZDUSSCGKSA-N 279.296 0.032 10 10 CCCE C[C@H]1CN(c2cc3c(cc2N)OCC(=O)N3)CC[C@H]1N 2191597900 TVUPMJGEAKHZDI-DTWKUNHWSA-N 276.340 0.773 10 10 CCCE NCc1cc(F)c(N2C[C@@H](O)C[C@@H](O)C2)cc1Cl 2057249284 MWXFMUXGCFGRPN-DTORHVGOSA-N 274.723 0.870 10 10 CCCE COCCN(c1cc(OC)c(OC)cc1N)C1CNC1 2191613750 CAIRAJRISXZLBP-UHFFFAOYSA-N 281.356 0.711 10 10 CCCE O=C(CN1CC([N+](=O)[O-])C1)c1ccc(O)c(O)c1 2071564138 SZUZRFGHEDKLIQ-UHFFFAOYSA-N 252.226 0.241 10 10 CCCE CN(C(=O)[C@@H]1CC(C(=O)O)=NO1)c1ccc(N)cc1 2106427531 DSTWOQFKQKQWPV-JTQLQIEISA-N 263.253 0.461 10 10 CCCE Nc1ccc(O)c(CNC(=O)N2CCC[C@H]2CO)c1 2108432782 NXTXSRRRFWDZBU-NSHDSACASA-N 265.313 0.641 10 10 CCCE O[C@@H]1C[C@H](O)[C@H](NCc2ccc3c(c2)CCCO3)C1 2108798914 HAZJBHAXMFCITP-MJBXVCDLSA-N 263.337 0.985 10 10 CCCE O=C(N[C@H]1CNCC12CCC2)c1ccc(O)c(O)c1 2089117672 WLOLMRDZUNYDSG-LBPRGKRZSA-N 262.309 0.970 10 10 CCCE Oc1ccc(CNC[C@H]2Cc3nncn3C2)c(O)c1 2111424002 GBCMXSPDHIORCY-SECBINFHSA-N 260.297 0.651 10 10 CCCE NC[C@@H]1CCC[C@@H](NC(=O)c2cc(O)nc(O)c2)C1 2094696343 VXXZBZKIVCCCAO-PSASIEDQSA-N 265.313 0.740 10 10 CCCE C[C@H](c1ccccc1O)N1C[C@@H](C(N)=O)C[C@@H](N)C1 2094663741 VBOMXXQPESMDPM-OUAUKWLOSA-N 263.341 0.588 10 10 CCCE C[C@@H](c1ccc(F)cc1O)N(C)[C@H]1CC(=O)NC1=O 2114732630 OFKCBOFTPCGPOR-XVKPBYJWSA-N 266.272 0.939 10 10 CCCE CSc1ncc(CNC(=O)C23CC(CN)(CO2)C3)s1 2269201055 NREAQTXXPAZQMY-UHFFFAOYSA-N 299.421 0.989 10 10 CCCE CC[C@H](CCOc1nnc(=N)[nH]n1)NC(=O)OC(C)(C)C 2209555575 GZVMMMYUTUHQFE-MRVPVSSYSA-N 298.347 0.751 10 10 CCCE COc1ccc(N2CC(CO)(OC)C2)c(CO)c1 2220429576 PFXVEFCPIIIUFT-UHFFFAOYSA-N 253.298 0.385 10 10 CCCE COc1ccc(N2C[C@@H](O)C[C@H](O)C2)c(C=O)c1 2220423742 PYXYPTCVRQHUHO-QWRGUYRKSA-N 251.282 0.440 10 10 CCCE CCN(C)S(=O)(=O)NCCOc1ccc(N)cc1 2220942881 AKQPCHRQMZTBLH-UHFFFAOYSA-N 273.358 0.434 10 10 CCCE COc1ccc(N2[C@H](CO)C[C@@H]3OCC[C@@H]32)c(CN)c1 2235963325 MHOHMJDOTKIPMA-CQDKDKBSSA-N 278.352 0.882 10 10 CCCE CNCc1cc(OC)ccc1N(C)CCS(C)(=O)=O 2227680027 QVNVETHMCZFKPY-UHFFFAOYSA-N 286.397 0.895 10 10 CCCE CSc1ncc(CNC(=O)[C@]2(CN)CCCO2)s1 2257025345 DYHXLZOXHVNSJS-LLVKDONJSA-N 287.410 0.989 10 10 CCCE CSc1ncc(CNC[C@@]2(O)CCNC[C@@H]2O)s1 2257133346 UPCGAVFJQXLMQU-ONGXEEELSA-N 289.426 0.040 10 10 CCCE C[C@H](N)c1ccc(N2CC[C@H]2[C@H](O)CO)cc1O 2258346507 RMJDYRCVCTZTEF-LJUAHTATSA-N 252.314 0.344 10 10 CCCE CO[C@@H]1[C@@H](O)C[C@@H]1NC(=O)CCc1ccc(N)cc1 2271169781 KLTAEHFXXBMTDP-OBJOEFQTSA-N 264.325 0.466 10 10 CCCE C[C@H](NC(=O)Cc1ccc(O)c(O)c1)[C@H]1CCCN1 2271375482 LEIZWLBWWRJCLC-GXSJLCMTSA-N 264.325 0.897 10 10 CCCE CS(=O)(=O)C1CC(Cn2ccc3c(c2=O)CNCC3)C1 2285403008 LICHTWBWFNAJSL-UHFFFAOYSA-N 296.392 0.317 10 10 CCCE NC[C@]12C[C@@H]1CN(C(=O)CCOc1ccc(N)cc1)C2 2288242671 JMEZWHLQUOCQHC-ABAIWWIYSA-N 275.352 0.845 10 10 CCCE CO[C@@H]1C[C@H]2C[C@@H]1C[C@]2(NCCCN=[N+]=[N-])C(N)=O 2329231523 STWDFSWPICOOOR-DNRKLUKYSA-N 267.333 0.945 10 10 CCCE N[C@H]1C[C@@H]2C[C@H]1C[C@@H]2NC(=O)c1cc(O)nc(O)c1 2329593001 OJOJJUIZIBZCLI-YIKMNZTOSA-N 263.297 0.348 10 10 CCCE COC[C@H]1[C@@H](O)[C@@H](O)CN1c1ccc(CO)cc1C 2333592222 SBXCGZHFBGBGCO-MELADBBJSA-N 267.325 0.044 10 10 CCCE N[C@H](C(=O)O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1 107943484 DMBFVRUHLQEDKH-ZANVPECISA-N 278.308 0.696 10 10 CCCE CNC(=O)CNCc1ccc(N2CCOCC2)cc1 37207234 IGNMXQXRQUMWPP-UHFFFAOYSA-N 263.341 0.359 10 10 CCCE NC(=O)[C@H]1CCCN1C(=O)c1cccc(O)c1O 126237926 KFHPBNCGUKGNDZ-MRVPVSSYSA-N 250.254 0.188 10 10 CCCE O=C(NC[C@H]1CCCNC1)c1cccc(O)c1O 126102856 ROBFNAPCPOSNHV-VIFPVBQESA-N 250.298 0.827 10 10 CCCE CO[C@H]1[C@H](OC(C)=O)O[C@H](C)[C@@H](N=[N+]=[N-])[C@@H]1OC(C)=O 77272137 ODLASXVOYXIJIR-RDIDNJODSA-N 287.272 0.920 10 10 CCCE in-vitro CN1C(=O)[C@H](N)c2ccc(N3CCNC(=O)C3(C)C)cc21 131390464 GFPFZZJBHORABP-GFCCVEGCSA-N 288.351 0.378 10 10 CCCE CN1CCN(Cc2ccc(O)cc2O)[C@@H](CN)C1 226614403 GXTMFMIFGRPMHM-NSHDSACASA-N 251.330 0.173 10 10 CCCE CC(=O)N[C@@H]1CCN(C[C@H](O)COc2ccc(N)cc2)C1 133808144 BQQVDLCUDSPGBU-KGLIPLIRSA-N 293.367 0.219 10 10 CCCE COC[C@@](C)(CCO)NCc1cc2c(cc1O)OCO2 267374805 QUPILCVIYQMBRJ-CQSZACIVSA-N 283.324 0.998 10 10 CCCE CC(=O)C(=O)CSc1nnc(-c2ccoc2C)n1N 289700629 QWQUROXNMDELJT-UHFFFAOYSA-N 280.309 0.811 10 10 CCCE CO[C@@H]1C[C@@H](OC)CN(C(=O)c2ccc(O)c(O)c2)C1 2165508372 XFIFSNSODVCUEW-GHMZBOCLSA-N 281.308 0.974 10 10 CCCE C[C@@](O)(CO)[C@H](N)c1ccc(Br)cc1O 713766092 ZSXNVHHORJGWPF-NXEZZACHSA-N 276.130 0.898 10 10 CCCE Nc1ccc(OC[C@H](O)C[S@](=O)[C@H]2CCOC2)cc1 722444311 LGMNZEAFLBTYTG-BLWXERESSA-N 285.365 0.546 10 10 CCCE COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCN2)c1 828666437 CKAVCWGFVFAQET-LDYMZIIASA-N 250.298 0.940 10 10 CCCE Nc1ccc(C[C@H](O)[C@@H]2CCCS2(=O)=O)cc1 1950546748 DVIOWNYXEPGCEF-RYUDHWBXSA-N 255.339 0.749 10 10 CCCE CS(=O)(=O)C[C@@H](O)CNCc1c(O)cccc1Cl 922820863 GSWKRJIRYVMMKT-QMMMGPOBSA-N 293.772 0.541 10 10 CCCE CN1CCC[C@@](O)(CC(=O)NCc2c(O)cccc2F)C1 928710719 WFEMSDZASWMWJQ-OAHLLOKOSA-N 296.342 0.994 10 10 CCCE O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1CCNC(=O)CC1 854955788 ALTSZTGUMCEJBD-SRMRHOMVSA-N 290.319 0.896 10 10 CCCE COc1ccc2c(c1O)[C@@H]([C@@H]1C[C@@H](O)CN1)NCC2 83708171 AGDGDNIRYCFWRW-GBIKHYSHSA-N 264.325 0.310 10 10 CCCE Cc1ccc2c(C[C@@H](N)C(=O)O)cc(=O)n(C)c2c1 84135625 DORGTTJEWUVIIL-LLVKDONJSA-N 260.293 0.801 10 10 CCCE COc1cccc(CNC(=O)/C=C/C(=O)N(C)C)c1O 1137473844 YCBIQFQPYYKOPW-BQYQJAHWSA-N 278.308 0.661 10 10 CCCE Cc1ccc(C(=O)O[C@@H]2CCC(=O)NC2=O)c(O)c1O 798607796 DYCASLVWMLEDDV-MRVPVSSYSA-N 279.248 0.368 10 10 CCCE CN1CCN(c2ccc(CNC[C@@](C)(O)CO)cc2)CC1 794748034 GIDUUKCCTBWWTH-MRXNPFEDSA-N 293.411 0.271 10 10 CCCE C[C@H](O)c1ccc(N2CCC(CO)(CO)C2)cc1O 694628488 ZYYQODCRPJVMOV-JTQLQIEISA-N 267.325 0.627 10 10 CCCE CC(C)(F)[C@@H](NC(=O)c1cc(O)nc(O)c1)C(=O)O 2117562620 ISJOKWDFYQALRQ-QMMMGPOBSA-N 272.232 0.424 10 10 CCCE COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)c1cc(O)cs1 1179029064 IKNDCHSFYWQVQD-SECBINFHSA-N 295.320 0.691 10 10 CCCE Nc1ccc(CN2CCN(C3CC3)C(=O)C2=O)cc1 2129287061 BOMLLVUWVOLDLO-UHFFFAOYSA-N 259.309 0.602 10 10 CCCE [N-]=[N+]=NCCNC1(C(=O)O)C[C@@H]2CC[C@H](C1)S2(=O)=O 2129827691 GYZZFAGIRZZWKV-JWHQNHQBSA-N 288.329 0.449 10 10 CCCE COC(=O)[C@]1(NCCN=[N+]=[N-])CCCC(=O)N(C)C1 2131963130 IXAOOGUYGJHXOX-NSHDSACASA-N 269.305 0.440 10 10 CCCE CCN[C@H](C)[C@@H](C)NC(=O)c1cc(O)c(O)c(O)c1 2132403518 KMMWQYXZHRXTSQ-HTQZYQBOSA-N 268.313 0.920 10 10 CCCE CN(C[C@H](O)CN)C(=O)C=Cc1ccc(N(C)C)cc1 1911939366 BVMOPUIOEXFUJW-CQSZACIVSA-N 277.368 0.544 10 10 CCCE CS(=O)(=O)NCC(=O)N1CCC(CN=[N+]=[N-])CC1 1912187212 IUOCQFVHPXXQCP-UHFFFAOYSA-N 275.334 0.085 10 10 CCCE CNC(=O)[C@H](C)N(C)c1cc2c(cc1N)OCCO2 1916826097 MTAYJRVKZVOFOU-QMMMGPOBSA-N 265.313 0.611 10 10 CCCE O=C(CNCC(F)(F)F)NCc1cccc(O)c1O 1528771760 XDYBNDNEZIAXJE-UHFFFAOYSA-N 278.230 0.866 10 10 CCCE C[S@](=O)CCNC(=O)c1c(F)ccc(O)c1O 1472505371 RTPVYCFWZPUGBM-KRWDZBQOSA-N 261.274 0.345 10 10 CCCE CN1CCN(c2ccc3c(c2)OCO3)C[C@@H]1C(=O)O 217061319 MGQFKCWUGKWXGH-SNVBAGLBSA-N 264.281 0.620 10 10 CCCE NC(=O)[C@H](O)CNCc1ccc(N2CCCCC2)cc1 228624133 FBMOJCSSRJTGAQ-CQSZACIVSA-N 277.368 0.613 10 10 CCCE COC(=O)NC(C)(C)C(=O)NCc1cc(O)ccc1O 1633595041 FXVJJBLQPBFZLR-UHFFFAOYSA-N 282.296 0.849 10 10 CCCE C[C@H](CS(C)(=O)=O)NC(=O)[C@@H]1CNc2ccccc2N1 229882015 WDDPMGNRKNQKLJ-SKDRFNHKSA-N 297.380 0.442 10 10 CCCE CCNC(=O)[C@@H](C)NC(=O)[C@@H]1CNc2ccccc2N1 229878999 WOAVDBOEGYPNKM-SKDRFNHKSA-N 276.340 0.533 10 10 CCCE NC(=O)CCCCNC(=O)COc1ccc(N)cc1 230025429 AXWHZIIECBPEOS-UHFFFAOYSA-N 265.313 0.419 10 10 CCCE O=C(CNC(=O)C1CC1)NCc1cc(O)ccc1O 1644752407 DVRPFLPYTMURDF-UHFFFAOYSA-N 264.281 0.240 10 10 CCCE COc1cc(N2C[C@@H](CO)C[C@@H]2CO)ccc1CO 2139703145 USVBCZMTURGXLK-GXFFZTMASA-N 267.325 0.367 10 10 CCCE CCCN(CCC)C(=O)C[C@H]1C(=O)NN(C)C1=O 169995936 PQGBKLYGQYVZPD-VIFPVBQESA-N 255.318 0.145 10 10 CCCE CCc1ccccc1NC(=O)C[C@H]1C(=O)NN(C)C1=O 169996001 RZMVIBYAFJNMCH-JTQLQIEISA-N 275.308 0.697 10 10 CCCE CNC(=O)[C@@H]1COCCN1Cc1cc(C(C)=O)ccc1O 160130490 GBSJLWQGWTXZHL-ZDUSSCGKSA-N 292.335 0.542 10 10 CCCE Cc1cc2c(cc1N(C)C[C@@H](N)CN)OCCO2 258879653 GMOYZYXQHOZDOZ-JTQLQIEISA-N 251.330 0.488 10 10 CCCE Cc1cnn(CC(=O)N(C)c2ccc(N)cc2)c(=O)c1 234210125 RPZTWMSBPYIRFE-UHFFFAOYSA-N 272.308 0.797 10 10 CCCE C[C@H](c1c(O)cccc1O)N1CCNC[C@@H]1C(=O)O 235168939 ZJQJFPFZNCFQGQ-RKDXNWHRSA-N 266.297 0.517 10 10 CCCE C[C@@H]1C(=O)NC(=O)CN1c1ccc(CN)c(F)c1F 235720692 VZNFSSAGJMEVCQ-ZCFIWIBFSA-N 269.251 0.275 10 10 CCCE C[C@@H]1CS(=O)(=O)C[C@H]1NCc1ccc(N)cc1 1944063480 JBXINUFHCUTIQY-BXKDBHETSA-N 254.355 0.792 10 10 CCCE CNCCOCCNC(=O)Cc1ccc(N)cc1 877024354 BAMCNYPUSRQRKG-UHFFFAOYSA-N 251.330 0.164 10 10 CCCE Nc1cccc(C(=O)O)c1N[C@@H]1CO[C@@H]2CNC[C@@H]12 1876500917 UFFSMJVAUNRCAZ-JMJZKYOTSA-N 263.297 0.366 10 10 CCCE COCCNC(=O)CN(C)c1ccc(CN)cc1C 42427041 HHCCDBLGEAHKTN-UHFFFAOYSA-N 265.357 0.653 10 10 CCCE Oc1c(F)cc(F)cc1CN[C@@H]1C[C@H]2C[C@H]1[C@@H](O)[C@@H]2O 1974158190 QNIPFACFRZPRQG-MZUVWLFZSA-N 285.290 0.890 10 10 CCCE COc1ccc(O)c(CN[C@@H]2C[C@H]3C[C@H]2[C@@H](O)[C@H]3O)c1 1974124598 ZUPGIYQBRMBFOB-MBPKRTKESA-N 279.336 0.621 10 10 CCCE CCCNC(=O)C[S@](=O)CC(=O)c1ccc(O)c(O)c1 2145894296 QSLDQPUXBSXUJP-HXUWFJFHSA-N 299.348 0.555 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NOCC(F)(F)F 156121541 KQZNLVYKSANWKV-ZETCQYMHSA-N 294.229 0.578 10 10 CCCE CCN(c1cc2c(cc1N)OCC(=O)N2)C1CN(C)C1 2146894193 VYCSDNFNHRZMBM-UHFFFAOYSA-N 276.340 0.740 10 10 CCCE CN1CCc2cc([C@H](O)C(=O)c3ncn(C)n3)ccc21 2147114935 FVQQTALWROXKCQ-LBPRGKRZSA-N 272.308 0.724 10 10 CCCE CCN(C(=O)[C@H]1CN(C)CCN1C)c1ccc(N)cc1 2155756444 GIMSLQUNQAOKRQ-CQSZACIVSA-N 276.384 0.868 10 10 CCCE Nc1ccc(CCN2C(=O)CCCS2(=O)=O)cc1 2029200811 UIKUDNRFMUBDEL-UHFFFAOYSA-N 268.338 0.764 10 10 CCCE CC[C@](C)(N)C(=O)NCCc1ccc(O)c(O)c1 2031067705 AEPWRYAHSKEZPU-ZDUSSCGKSA-N 252.314 0.884 10 10 CCCE COC[C@@H](N[C@@H](C)c1cc(F)ccc1O)C(N)=O 2034939579 ILOVCFGVKQUFPS-OIBJUYFYSA-N 256.277 0.682 10 10 CCCE O=C(c1cccc(O)c1O)N1CCCNCCC1 2035151301 LSROTZXDMRIURD-UHFFFAOYSA-N 250.298 0.923 10 10 CCCE COC[C@@](O)(CO)CNCc1cc(Cl)ccc1O 2040784189 RTJXFLRCRVVCDE-LBPRGKRZSA-N 275.732 0.505 10 10 CCCE O=C(CN1CCC[S@@](=O)CC1)c1ccc(O)c(O)c1 322209643 VIVSEQYKLQBINY-LJQANCHMSA-N 283.349 0.735 10 10 CCCE CNCc1ccc(N2CC[C@@]3(CNC(=O)N3)C2)cc1C 2177687709 OWFXSYVCQTZJRI-OAHLLOKOSA-N 274.368 0.976 10 10 CCCE N[C@@H]1CCO[C@@H]1c1nc(-c2ccc(O)c(O)c2)no1 703144937 ZXFNHERBDISXCE-XCBNKYQSSA-N 263.253 0.937 10 10 CCCE C[C@@H]1[C@H](CO)CCN1C(=O)COc1ccc(N)cc1 385865979 IHJKVYCDYNBUIO-MNOVXSKESA-N 264.325 0.877 10 10 CCCE C[C@H]1CN(c2ccc(CN)c(F)c2F)CC(=O)N1 387329893 SAPCYYAXIMSFKO-ZETCQYMHSA-N 255.268 0.748 10 10 CCCE C[C@@H](O)C1CN(c2cc3c(cc2N)OCCO3)C1 719805071 BOJIQSPHANCKDA-MRVPVSSYSA-N 250.298 0.857 10 10 CCCE Nc1ccc(NCC2(S(N)(=O)=O)CCC2)cc1 721558576 FVWNOTUIBFDGST-UHFFFAOYSA-N 255.343 0.892 10 10 CCCE COc1ccc(CNCC(C)(CO)CO)c(O)c1 393908405 SQRPNOBZWYJYBF-UHFFFAOYSA-N 255.314 0.481 10 10 CCCE C[C@H](NC[C@H]1CNC(=O)C1)c1c(O)cccc1O 398334279 CDKUJBMDXDKLKM-IUCAKERBSA-N 250.298 0.885 10 10 CCCE Nc1ccc(CS(=O)(=O)N2[C@H]3CC[C@@H](C3)[C@H]2CO)cc1 2178702066 JXNUGRVFZBNXPZ-FPMFFAJLSA-N 296.392 0.944 10 10 CCCE O=C(NO[C@H](C(=O)O)C1CC1)c1cc(O)c(O)c(O)c1 2188868316 PFVBYKGRUXBTMH-JTQLQIEISA-N 283.236 0.328 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CC[C@H]2COC[C@H]2C1 2188875238 PCQFIFCNLBZGPG-WCBMZHEXSA-N 279.292 0.912 10 10 CCCE CC[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)C(=O)N(C)C 2188912843 NBSGUKCWVMWCOF-MRVPVSSYSA-N 282.296 0.400 10 10 CCCE N[C@@H]1CCCC12CN(C(=O)c1cc(O)c(O)c(O)c1)C2 2188924437 QOTVKFDIABDXGY-LLVKDONJSA-N 278.308 0.757 10 10 CCCE NCCOCCC(=O)NCCc1ccc(O)c(O)c1 2091756432 RVNYKGCQHPUSQZ-UHFFFAOYSA-N 268.313 0.122 10 10 CCCE C[C@@H](O)c1ccc(N2CC3(C2)OC[C@@H](O)[C@H]3O)cc1Cl 2183638415 GMIRUYQSWPILDZ-BZHVJNSISA-N 299.754 0.704 10 10 CCCE CS(=O)(=O)N1CC[C@@H](N2CCc3cc(CN)ccc32)C1 2189921380 LAHPVFYIHIRQPQ-CYBMUJFWSA-N 295.408 0.542 10 10 CCCE Nc1ccc(O)c(CN2CC[C@@H]3OCC(=O)N[C@H]3C2)c1 2185519885 APMKWKKTUPPACW-AAEUAGOBSA-N 277.324 0.064 10 10 CCCE COc1ccc(CN[C@@H]2C[C@H](O)C[C@H]2O)cc1C 2046490483 MIPZTFBHNMWAOV-YNEHKIRRSA-N 251.326 0.977 10 10 CCCE Nc1ccc(OCCC(=O)NC2CC3(CNC3)C2)cc1 2191679643 PJUIWDLBCJWVIM-UHFFFAOYSA-N 275.352 0.906 10 10 CCCE CN(c1cc2c(cc1N)OCCO2)[C@]1(CN)CCOC1 2191616171 QXVKKDQNKWYPKZ-AWEZNQCLSA-N 279.340 0.594 10 10 CCCE COc1ccc([C@@H](C)NCC[C@@H](O)CO)c(O)c1 2061854186 FNDXMPSCEOHZKV-NXEZZACHSA-N 255.314 0.795 10 10 CCCE CN1CC[C@](NCCCN=[N+]=[N-])(C(=O)O)CC1=O 2068216896 IJQCXTDLAACSAS-SNVBAGLBSA-N 255.278 0.352 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CCC[C@@H]1C1OCCO1 2068618009 MZTZAYRVQJFLIC-SECBINFHSA-N 295.291 0.781 10 10 CCCE Nc1cccc(C(=O)O)c1N[C@H]1CCOC[C@@H]1N 2071693788 FOBZQCZXKMZWCK-UWVGGRQHSA-N 251.286 0.495 10 10 CCCE NC[C@H]1CCC[C@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)O1 2073530269 NAPPIWFCZXTTQV-DNRKLUKYSA-N 254.330 0.148 10 10 CCCE COCC1(CNCc2ccc(O)c(O)c2)COC1 2082963975 JNYPIALHAJZGDD-UHFFFAOYSA-N 253.298 0.850 10 10 CCCE Cc1cccc(CNC(=O)COC2CNC2)c1O 2084061450 UYDUUBBPGVAWIY-UHFFFAOYSA-N 250.298 0.305 10 10 CCCE CS(=O)(=O)C[C@@H]1CN(Cc2ccc(N)cc2)CCO1 2087367137 PQAUGTQDZUPFNK-ZDUSSCGKSA-N 284.381 0.514 10 10 CCCE CN[C@@H]1CCC[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 2087729491 NRXJUXOLYVNIMZ-MNOVXSKESA-N 264.325 0.897 10 10 CCCE Nc1ccc(CC(=O)N2C[C@@H]3[C@H](C(=O)O)[C@@H]3C2)cc1 2087847237 WLWKXTYTRWZQEP-PTEHBNRSSA-N 260.293 0.600 10 10 CCCE CNCc1ccc(N2C[C@H]3CS(=O)(=O)C[C@@H]3C2)cc1 2087860006 JBZSEKWEABCLJI-STQMWFEESA-N 280.393 0.887 10 10 CCCE CNCc1ccc(N2C[C@H](N(C)C)[C@H](O)C2)cc1C 2089924001 SDZSOSRRWUMICX-LSDHHAIUSA-N 263.385 0.826 10 10 CCCE NCc1ccc(N2CC[C@H]3CS(=O)(=O)C[C@@H]32)cc1F 2094932382 ZTMJJNLHMGTUAM-GWCFXTLKSA-N 284.356 0.908 10 10 CCCE C[C@@](O)(CO)[C@@H]1CCN(C(=O)c2cccc(O)c2O)C1 2202842851 JWHZPVXOSXVCJJ-YMTOWFKASA-N 281.308 0.303 10 10 CCCE COc1cc(N2C[C@H]3C[C@H]2CN3C(C)=O)ccc1CO 2204547467 KCONVVSWZLBGRY-KGLIPLIRSA-N 276.336 0.997 10 10 CCCE COc1cc(N2C[C@H]3C[C@H](O)[C@@H](O)[C@H]2C3)ccc1CN 2204560110 YOIGROUYZXKJSV-JWFUOXDNSA-N 278.352 0.474 10 10 CCCE Cc1cccc(CNC(=O)[C@H](N)Cc2cnc[nH]2)c1O 2204623124 QWJOHVNZYGSAEM-GFCCVEGCSA-N 274.324 0.610 10 10 CCCE O[C@H]1CN(c2ccc3c(c2)OC(F)(F)O3)C[C@H]1O 2219516954 XNYZLYQMMXIFDN-OCAPTIKFSA-N 259.208 0.550 10 10 CCCE COc1ccc(N2CC[C@@H](O)[C@@H](O)C2)c(F)c1F 2219771045 JZNXIWYPQKLXCP-BDAKNGLRSA-N 259.252 0.905 10 10 CCCE CN(C)c1ccc(OC[C@@H]2CCS(=O)(=O)N2)cc1 2221885970 ZPVCRTVGBHZPFI-JTQLQIEISA-N 270.354 0.823 10 10 CCCE CN1C(=O)[C@@H](O)c2ccc(N(C)[C@H]3C[C@@H](O)C3)cc21 2224220995 YXTFKSNRLMHSTQ-CWSCBRNRSA-N 262.309 0.656 10 10 CCCE COc1ccc(N2C[C@@H]3C[C@H](C2)[C@@H](O)[C@@H]3O)c(C=O)c1 2235986170 MDENLMWDMFJXIP-ANGCBRKESA-N 277.320 0.686 10 10 CCCE COc1cccc(CN[C@@H]2C[C@@H](O)[C@@H]2OC)c1O 2258675095 SVJAZHGDYXOANW-GIPNMCIBSA-N 253.298 0.639 10 10 CCCE Oc1cccc(F)c1CN1CCOC2(CNC2)C1 2260145025 SQPDCXJJHRZYBQ-UHFFFAOYSA-N 252.289 0.706 10 10 CCCE CN(C)c1ccc([C@@H](O)[C@@H](N)CS(C)(=O)=O)cc1 2313847041 CLBGDTXKTLOHPF-NWDGAFQWSA-N 272.370 0.158 10 10 CCCE Cc1cc([C@H](C)N)ccc1N1CC([C@@H](O)CO)C1 2315156500 JANOEAPNJXHPAR-HZMBPMFUSA-N 250.342 0.804 10 10 CCCE C[C@@H](NCC[C@@H](O)CCO)c1c(O)cccc1O 2326774519 HTWBMOSAWAIGPF-NXEZZACHSA-N 255.314 0.882 10 10 CCCE CN(C)C(=O)CC(=O)NCc1ccc(N(C)C)c(F)c1 172721068 WETUVKVUPDDZIX-UHFFFAOYSA-N 281.331 0.986 10 10 CCCE CC1(C)C(=O)NCCN1C(=O)CCOc1ccc(N)cc1 110652437 YCHIYDSYLFNFDU-UHFFFAOYSA-N 291.351 0.775 10 10 CCCE C[C@@H](C[S@](C)=O)NCc1ccc(O)c(O)c1O 235148182 XHISTVDXGPNVGV-SKLCBMLGSA-N 259.327 0.660 10 10 CCCE CC(C)(C)OC(=O)N=c1nc([C@H](CO)N=[N+]=[N-])[nH][nH]1 1952154513 AJBOTWGFYHMOKE-YFKPBYRVSA-N 269.265 0.917 10 10 CCCE CC[C@@H](O)CCNC(=O)COc1ccc(N)cc1 135006610 TWNYLKNHCRVHLT-LLVKDONJSA-N 252.314 0.925 10 10 CCCE CN(C)C(=O)[C@H]1CCCN1C(=O)COc1ccc(N)cc1 40304845 ZSIRNDIAKFSLHQ-CYBMUJFWSA-N 291.351 0.727 10 10 CCCE CCNS(=O)(=O)CCNCc1cccc(O)c1O 226753857 AQPXMWWBJHZWSS-UHFFFAOYSA-N 274.342 0.127 10 10 CCCE Nc1ccc(OCC(=O)N2CCC[C@@H]2CO)cc1 42433120 IDMLXBVAOHSQQU-LLVKDONJSA-N 250.298 0.631 10 10 CCCE CS(=O)(=O)Cc1noc(-c2ccc(O)c(O)c2)n1 235026191 TWXPDXIOZBKQLN-UHFFFAOYSA-N 270.266 0.692 10 10 CCCE CC[C@H]1C(=O)NCCN1c1ccc2c(c1)N(C)C(=O)[C@H]2N 251541748 HLUIODPXIYLJGP-AAEUAGOBSA-N 288.351 0.378 10 10 CCCE C[C@H](N)c1ccc(N2CCN(CCO)CC2)cc1O 93670547 OTKDDHGUPSNBCH-NSHDSACASA-N 265.357 0.526 10 10 CCCE CC(C)CN(CC(N)=O)c1ccc2c(c1)NC(=O)[C@@H]2N 723158247 LAZXRDVDXRXLID-CYBMUJFWSA-N 276.340 0.586 10 10 CCCE CN(C)c1ccc([C@@H](N)[C@](C)(O)C2CS(=O)(=O)C2)cc1 2163146909 WPMWLEKMCQFZDY-ZIAGYGMSSA-N 298.408 0.548 10 10 CCCE CCN(CC(=O)N(C)C)c1ccc2c(c1)NC(=O)[C@@H]2N 723201162 KGUSMVRXHJFVFK-CYBMUJFWSA-N 276.340 0.553 10 10 CCCE C[C@H]1C(=O)N(C)CN1C(=O)/C=C\c1ccc(O)c(O)c1 844103282 NFLDDVTYYVISQF-RNEXMXFGSA-N 276.292 0.758 10 10 CCCE CN1C(=O)C(=Cc2ccnn2CC2CC2)C(=O)N(C)C1=O 849177224 GVXGDWFECUQBEY-UHFFFAOYSA-N 288.307 0.727 10 10 CCCE COc1ccc(O)c(CN[C@H]2C[C@@H](C(N)=O)C2)c1 846046682 MTMWVISSYGZUEX-WAAGHKOSSA-N 250.298 0.754 10 10 CCCE Nc1ccc(NC(=O)N2C[C@@H](O)C[C@@H]2CO)cc1 698161237 ZSSQTVIQAXXICF-MNOVXSKESA-N 251.286 0.228 10 10 CCCE N[C@@H](c1nnc(CO)o1)c1cc(Cl)ccc1O 83412341 LWEODMYGFWKVKR-SECBINFHSA-N 255.661 0.969 10 10 CCCE Cc1ccc(O)c([C@H](N)C(=O)NC[C@H]2CCCO2)c1 83478185 HUICAWRJBNDJCD-MFKMUULPSA-N 264.325 0.996 10 10 CCCE C[C@H](c1nn[nH]n1)N(C)C(=O)COc1ccc(N)cc1 707185266 GISRWBRJFWTQPI-MRVPVSSYSA-N 276.300 0.380 10 10 CCCE O=[N+]([O-])c1cc2c(cc1N1CC[C@H]1CO)OCCO2 1917275582 RREZYRWUQLFKRM-QMMMGPOBSA-N 266.253 0.937 10 10 CCCE CN1CCc2cc(N3CC[C@H](N)[C@H](CO)C3)ccc21 2122389106 CFYKLZMZEGZRJD-JSGCOSHPSA-N 261.369 0.825 10 10 CCCE O=C(c1cccc(O)c1O)N1CCC(c2nn[nH]n2)CC1 1174941036 MQZVQCNSIDZALK-UHFFFAOYSA-N 289.295 0.631 10 10 CCCE COc1cccc(CN(C)C2(C(=O)O)COC2)c1O 2116493045 MDCYTXDCVYMEEC-UHFFFAOYSA-N 267.281 0.686 10 10 CCCE CN1C(=O)O[C@H]2CN(c3ccc(CN)cc3F)C[C@H]21 2120407585 DSHJHMLGWUKYKF-NEPJUHHUSA-N 265.288 0.924 10 10 CCCE C[C@@H](N)CN(C)C(=O)C(=O)N1Cc2cccc(O)c2C1 1332127036 FIHLAOYDYXZQBU-SECBINFHSA-N 277.324 0.040 10 10 CCCE C[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)c1cnn[nH]1 2132407592 QFXAMZZBHZJMSR-RXMQYKEDSA-N 264.241 0.413 10 10 CCCE NCC(F)(F)CCNC(=O)c1cc(O)c(O)c(O)c1 2132402225 XXXCQZUIMWIHJM-UHFFFAOYSA-N 276.239 0.517 10 10 CCCE CC(=O)N1CCC[C@H]1C(=O)N1CC[C@H](N=[N+]=[N-])C1 1912193066 LTMWHUKKHZBXMY-UWVGGRQHSA-N 251.290 0.909 10 10 CCCE CCNC(=O)NC(=O)[C@@H](C)N1CC[C@H](CN=[N+]=[N-])C1 1912210017 DWESWZDNGVLRER-RKDXNWHRSA-N 268.321 0.853 10 10 CCCE C[C@H]1[C@H](O)CCN1c1cc2c(cc1N)OCC(=O)N2 1914446318 FLBJMCGCKXKBMB-WRWORJQWSA-N 263.297 0.559 10 10 CCCE COc1coc(C(=O)NCc2ccc(O)cc2O)cc1=O 1451757309 LRRGYNDNLQLEKN-UHFFFAOYSA-N 291.259 0.990 10 10 CCCE CC(=O)NCCCN[C@H](C(=O)O)c1cc(C)ccc1O 211726605 UDFOEBAWESIQBD-ZDUSSCGKSA-N 280.324 0.942 10 10 CCCE CC(=O)N1CCN([C@H](C(=O)O)c2cc(C)ccc2O)CC1 211849408 ROLFYEOLZGUZND-AWEZNQCLSA-N 292.335 0.990 10 10 CCCE NC(=O)CN(Cc1ccc(N)cc1)[C@@H]1CCCOC1 224887834 GBTGYSVUQLYODP-CYBMUJFWSA-N 263.341 0.735 10 10 CCCE Cc1ccc(C(=O)N2CCO[C@@H]([C@@H](C)O)C2)c(O)c1O 1468940842 WPSOZJGJIPFAIW-MWLCHTKSSA-N 281.308 0.628 10 10 CCCE CN(C)[C@H]1COC[C@H]1NCc1ccc(O)cc1O 1922023093 ODXGVNTURMPFLJ-NEPJUHHUSA-N 252.314 0.516 10 10 CCCE CNc1cnc(C(=O)NCc2ccc(O)cc2O)cn1 1557085897 ZIXNORSTBIDLNP-UHFFFAOYSA-N 274.280 0.860 10 10 CCCE C[C@H]1C(=O)NCCN1C(=O)[C@H]1CNc2ccccc2N1 229881186 GIWOBPWVQVPBSL-JOYOIKCWSA-N 274.324 0.240 10 10 CCCE C[C@](O)(CO)[C@H]1CCN(c2ccc(CO)cc2F)C1 2138092659 ZVPNMCJJFQDSKP-FZMZJTMJSA-N 269.316 0.888 10 10 CCCE CC(C)[C@@H](Nc1c(N)cccc1C(=O)O)C(N)=O 231060293 SZWVKVZWLVAVJJ-SECBINFHSA-N 251.286 0.889 10 10 CCCE COc1cc(N2CCOC[C@@]2(C)CO)ccc1CO 2139685532 QNZJBXRPIJUQCI-CQSZACIVSA-N 267.325 0.775 10 10 CCCE NC(=O)CONCc1cccc(Br)c1O 168029067 LHUQZQRNOQNICM-UHFFFAOYSA-N 275.102 0.661 10 10 CCCE CCN(CCO)C(=O)[C@H](C)Oc1ccc(N)cc1 1860082949 YUJYAIRSNHVGMW-JTQLQIEISA-N 252.314 0.877 10 10 CCCE C[C@H]1CN(c2ccc3c(c2)OCO3)[C@@H](CO)C(=O)N1 251643887 JJBKHAZLEIQKFU-WPRPVWTQSA-N 264.281 0.101 10 10 CCCE Cc1ccc(O)c(CNCCC(=O)Nc2nn[nH]n2)c1 1857854144 QMPRKWOOPCZUSD-UHFFFAOYSA-N 276.300 0.332 10 10 CCCE CN1CCNC[C@H]1CNC(=O)Nc1ccc(N)cc1 1876152599 IKTUKGMKZZAISN-LBPRGKRZSA-N 263.345 0.294 10 10 CCCE C[C@H]1CCNCCN1C(=O)COc1ccc(N)cc1 1876441086 YBRIREUDUUHTEW-NSHDSACASA-N 263.341 0.858 10 10 CCCE C[C@@H]1CC[C@H](NS(=O)(=O)Cc2ccc(N)cc2)CN1 1876418282 WOQSGHZQZFKXSP-MFKMUULPSA-N 283.397 0.829 10 10 CCCE Nc1ccc(OCCC(=O)N[C@H]2[C@@H]3C[C@@H]2CN3)cc1 1876508568 FAONDCNAARDNIH-LJWDBELGSA-N 261.325 0.514 10 10 CCCE CO[C@@H]1CNC[C@@H]1C(=O)N[C@@H](C)c1ccccc1O 1877585151 JLDYJFNBAZDQTM-XHVZSJERSA-N 264.325 0.804 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CC12CCNCC2 2144029058 GPPFVJFWKFOGAK-CYBMUJFWSA-N 276.336 0.899 10 10 CCCE O=C(N[C@@H]1CCOC[C@@H]1CO)c1ccc(O)c(O)c1 1878695517 IMRJZYBNCNXGAE-VHSXEESVSA-N 267.281 0.225 10 10 CCCE C[C@@H](O)c1cc(F)c(N2CCC2(CO)CO)c(F)c1 1880486434 OIEJSIIRXTUNDN-MRVPVSSYSA-N 273.279 0.952 10 10 CCCE COc1ccc(CNC[C@@H]2CCN(C)C2=O)c(O)c1 1880932832 XXTRSQSTZMQWSC-NSHDSACASA-N 264.325 0.969 10 10 CCCE CN(C)c1ccc(CNC(=O)[C@]2(C)CNC(=O)C2)cc1 1963673000 ANDMEHALXMXPFD-HNNXBMFYSA-N 275.352 0.895 10 10 CCCE C[C@H](N)CS(=O)(=O)N(C)Cc1ccccc1O 1947420874 WNNDCPOGEIRTCT-VIFPVBQESA-N 258.343 0.501 10 10 CCCE COc1cccc(O)c1CN1C[C@H]2CS(=O)(=O)C[C@H]2C1 897619388 VPHQICXPGDRJAD-PHIMTYICSA-N 297.376 0.877 10 10 CCCE COCCNCc1ccc(N2CCOC[C@@H]2CO)cc1 168312594 BHUHZSDLJDYCMK-HNNXBMFYSA-N 280.368 0.620 10 10 CCCE Nc1ccc(OCCC(=O)N2CC[C@H](O)[C@H](F)C2)cc1 2144587843 JFUXGOROFTYSFP-OLZOCXBDSA-N 282.315 0.969 10 10 CCCE N[C@@H]1[C@@H]2CCCO[C@H]2[C@H]1NC(=O)c1cccc(O)c1O 253091715 JXNDIGWUZPZIOO-LXOIKGMDSA-N 278.308 0.332 10 10 CCCE O=C1CCN(CC(=O)c2ccc(O)c(O)c2)CCCN1 2145344454 QQAQHMMTINDVAH-UHFFFAOYSA-N 278.308 0.493 10 10 CCCE COc1cc(C(=O)O)cc(CN2CCNCC2)c1O 258515699 JQSMSWRCVUYMCO-UHFFFAOYSA-N 266.297 0.504 10 10 CCCE CN(CC(=O)NC1CC1)C(=O)CCc1ccc(N)cc1 38051706 APNLLONDNSQCMJ-UHFFFAOYSA-N 275.352 0.938 10 10 CCCE Nc1ccc(OC[C@H](O)COC[C@@H]2COCCO2)cc1 2154024849 CQRAJNHLZLWUCM-OCCSQVGLSA-N 283.324 0.441 10 10 CCCE Cc1cccc(CNS(=O)(=O)[C@@H](C)CO)c1O 2024811391 JJERMVQGDYKIHF-VIFPVBQESA-N 259.327 0.501 10 10 CCCE CO[C@H]1C[C@@H](NS(=O)(=O)Cc2ccc(N)cc2)C1 2029085112 UKFMWJCNCOWKQS-TXEJJXNPSA-N 270.354 0.866 10 10 CCCE O=C(NC[C@@H]1CCS1(=O)=O)c1ccc(O)c(O)c1 2033314090 VDACHNKTJUATQU-QMMMGPOBSA-N 271.294 0.015 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CC[C@@H]3c3ncon3)ccc21 2160442902 RMVLYAKVIYBUNY-MNOVXSKESA-N 271.280 0.973 10 10 CCCE COC(=O)C1(NCCCN=[N+]=[N-])CCN(C(C)=O)CC1 312387283 KNLIDOHYUHRCIR-UHFFFAOYSA-N 283.332 0.831 10 10 CCCE Nc1ccc(OCCN2C[C@H]3C[C@H]2CS3(=O)=O)cc1 321694068 YUTDHRKROGGXJU-WCQYABFASA-N 282.365 0.519 10 10 CCCE COC(=O)[C@H](CN(C)c1ccc(OC)cc1)NC(C)=O 88118414 NSMILNYYXWHMPC-ZDUSSCGKSA-N 280.324 0.809 10 10 CCCE CO[C@@H]1COC[C@H]1N(C)c1cc2c(cc1N)OCCO2 2177271406 PQTYSYXYATVYDQ-BXUZGUMPSA-N 280.324 0.890 10 10 CCCE C[C@@H]1COC[C@H]1OC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 703430857 TXGCBJXXNWHRSY-DFAYQTQMSA-N 281.308 0.546 10 10 CCCE COc1cccc(CN[C@@H]2CCOC[C@@H]2O)c1O 706772868 HFTTXGPIAQCJFR-MNOVXSKESA-N 253.298 0.640 10 10 CCCE C[C@H](NCc1nnc(O)n1C)c1ccc(O)cc1O 692233457 BETOJSSWBXUUDY-ZETCQYMHSA-N 264.285 0.783 10 10 CCCE CN(CCCNCc1ccc(O)cc1O)S(C)(=O)=O 692417348 RKCPBSQCSKOFGA-UHFFFAOYSA-N 288.369 0.469 10 10 CCCE C[C@@H](c1ccccc1O)N(C)S(=O)(=O)CCN 722241914 RAPHEVAZQZBFQF-VIFPVBQESA-N 258.343 0.674 10 10 CCCE CCN1CC(NS(=O)(=O)Cc2ccc(N)cc2)C1 393665258 DZJJQALIRAOUAH-UHFFFAOYSA-N 269.370 0.392 10 10 CCCE C[C@H]1CN(C)C[C@H](C(=O)Nc2ccc(O)c(O)c2)O1 2065115903 YFHLTNFNMHNMFI-QPUJVOFHSA-N 266.297 0.755 10 10 CCCE NCc1ccc(N2CC[C@@]3(C2)NC(=O)NC3=O)cc1Cl 2170621791 NRGOOOBUTUYQNN-ZDUSSCGKSA-N 294.742 0.587 10 10 CCCE O=C(O)[C@@H](NC(=O)C(F)(F)F)c1ccc(O)c(O)c1 2081076425 FRCJWBDXWUTUSW-ZETCQYMHSA-N 279.170 0.902 10 10 CCCE C[C@H](N)c1ccc(N2CCNC(=O)[C@H]2C(N)=O)cc1Cl 2184137999 CTVBSRMYTNZQRP-WRWORJQWSA-N 296.758 0.150 10 10 CCCE CNC(=O)[C@@H]1COCCN1c1ccc2c(c1)CC[C@H]2O 2184733175 FHIZGAYIXCQAHK-UONOGXRCSA-N 276.336 0.617 10 10 CCCE O=C(N[C@H]1CCO[C@H](C(=O)O)C1)c1cccc(O)c1O 2194361368 VWURPIJJBBVOPW-XVKPBYJWSA-N 281.264 0.460 10 10 CCCE COCCN[C@@H](C(N)=O)c1c(O)cccc1OC 2042578645 CJFZFBDVBGNUNU-LLVKDONJSA-N 254.286 0.163 10 10 CCCE CO[C@H](CCO)CNC(=O)c1cccc(O)c1O 2049497293 BDDTVDNRJFBMFH-MRVPVSSYSA-N 255.270 0.225 10 10 CCCE CN(CC(=O)Nc1ccc(N)cc1)C[C@@]1(O)CCOC1 2185952308 LRGLLMLFHLDPDU-AWEZNQCLSA-N 279.340 0.291 10 10 CCCE O=S1(=O)C[C@@H]2C(NCc3ccc(O)c(O)c3)[C@H]2C1 2054276381 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C[C@@H](N)c1ccc(N2C[C@@H]3C[C@H]2[C@@H](O)[C@@H]3O)c(F)c1 2329329157 RUGMTPBIQKQIKQ-KEHYKAFYSA-N 266.316 0.776 10 10 CCCE COC[C@]1(C(=O)NCc2ccccc2O)C=CCN1 2336336481 ULZCJZKQJKPVPB-AWEZNQCLSA-N 262.309 0.553 10 10 CCCE CN(C)S(=O)(=O)CCCNCc1cc(F)ccc1O 2341864088 XLXWBKGLBIDIOD-UHFFFAOYSA-N 290.360 0.902 10 10 CCCE Nc1ccc(CC(=O)N[C@]23C[C@](C(=O)O)(C2)C3)cc1 2344080123 UAEDVGLVATXANO-OKILXGFUSA-N 260.293 0.935 10 10 CCCE C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2O)C[C@@H](C(N)=O)O1 177255116 PMMLDNMRQHJVNZ-PELKAZGASA-N 295.295 0.375 10 10 CCCE CN(Cc1ccc(O)c(O)c1)[C@H]1COC[C@H]1C(=O)O 250257690 ZMDINFBKBSMMHB-ZJUUUORDSA-N 267.281 0.629 10 10 CCCE NC[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(O)c(O)c(O)c1 2356974938 HSBMSVHWRWFXNY-AEJSXWLSSA-N 278.308 0.755 10 10 CCCE CC(=O)N1CCN(c2cc3c(cc2N)OCC(=O)N3)CC1 35452688 IKHCNAFQAVDILZ-UHFFFAOYSA-N 290.323 0.268 10 10 CCCE Nc1ccc(OCC(=O)NCCCC(=O)O)cc1 38055613 RYBUVNKGDVIOAP-UHFFFAOYSA-N 252.270 0.629 10 10 CCCE S=C1NNC2(CCN(Cc3ccccc3)CC2)NN1 72415016 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CCOC[C@@H](O)CN1CCc2cc(CN)ccc21 2069543548 VICGLJFMXRLXHN-ZDUSSCGKSA-N 250.342 0.905 10 10 CCCE C[C@@H]1OCC[C@]1(O)CNC(=O)c1cc(O)c(O)c(O)c1 2188868121 MHOFQYFZDRPZMX-CPFSXVBKSA-N 283.280 0.073 10 10 CCCE O=C(N[C@@H]1CC[C@H](C(=O)O)C1)c1cc(O)c(O)c(O)c1 2188868183 NGTBQKMJKSMMJX-POYBYMJQSA-N 281.264 0.787 10 10 CCCE NC[C@H]1CCN(S(=O)(=O)Cc2ccc(N)cc2)C1 2071569103 XAQXZWDCVTWSNK-LLVKDONJSA-N 269.370 0.379 10 10 CCCE [N-]=[N+]=NC1CCN(C(=O)[C@@H]2CO[C@H]3COC[C@@H]23)CC1 2101886470 RVWPGSNDOXGFTO-AXFHLTTASA-N 266.301 0.949 10 10 CCCE CNCc1ccc(N2CC[C@H](O)[C@@](C)(O)C2)cc1 2081717502 WRYXIGAAXNUGMH-KBPBESRZSA-N 250.342 0.728 10 10 CCCE C[S@@](=O)(=NC(=O)c1ccc(O)c(O)c1)[C@@H]1CCNC1 2102807732 VOPJCDNLJRQXEA-HOGDKLEQSA-N 284.337 0.698 10 10 CCCE C[C@@H]1CN(S(=O)(=O)NCc2ccccc2O)CCN1 2103304568 FIJOPQFXUDPXNT-SNVBAGLBSA-N 285.369 0.020 10 10 CCCE CCOC(=O)NC(=O)CN(C)c1ccc(CN)cc1 2104972077 JJEBZBMIKUEKDL-UHFFFAOYSA-N 265.313 0.854 10 10 CCCE C[C@@H](CNC(=O)c1cccc(O)c1O)[C@H](F)C(=O)O 2105540112 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Cc1cc(N2CC3(CNC(=O)N3)C2)ccc1[C@@H](C)N 2269665672 JJFSEILFLMTXTF-SNVBAGLBSA-N 260.341 0.886 10 10 CCCE N=c1nnc(OC[C@H](N)CC2CCCCC2)n[nH]1 2219014319 DHRMPYVLQMNFAR-SECBINFHSA-N 252.322 0.356 10 10 CCCE N[C@H]1C[C@@H](F)CN(C(=O)c2ccc(O)c(O)c2)C1 2219151654 KALOMFGJFAVCHZ-BDAKNGLRSA-N 254.261 0.609 10 10 CCCE [N-]=[N+]=N[C@H]1CCC[C@H]1NC(=O)CCN1C(=O)CCC1=O 2234177827 WGCXDRBNQYHSOE-BDAKNGLRSA-N 279.300 0.873 10 10 CCCE O[C@H]1[C@H](O)COC12CN(c1ccc3c(c1)CCCO3)C2 2235040306 BMSYQZPYMQFFLQ-OCCSQVGLSA-N 277.320 0.322 10 10 CCCE CO[C@@H]1CN(Cc2ccc(N)cc2)[C@@H](CO)[C@H]1OC 2225075121 CQLSZAJUDKPINE-BFHYXJOUSA-N 266.341 0.475 10 10 CCCE COC[C@@H]1[C@H](O)[C@@H](O)CN1c1ccc(OC)cc1C=O 2235986971 OHVODEAHSHLTQJ-RDBSUJKOSA-N 281.308 0.065 10 10 CCCE COc1ccc(N2C[C@@H]3CCS(=O)(=O)[C@H]3C2)c(CN)c1 2235970472 QERORJSBTTXAKI-HZMBPMFUSA-N 296.392 0.777 10 10 CCCE Cc1cccc(O)c1CN1C[C@@H]2CN[C@H](CO)[C@H]2C1 2227319714 NCVHHBOGPJNYTB-FPMFFAJLSA-N 262.353 0.713 10 10 CCCE COc1ccc(N2CC(=O)N[C@H]3CC[C@@H]32)c(CN)c1 2227684939 ZVTNKLIICNCXIZ-AAEUAGOBSA-N 261.325 0.621 10 10 CCCE Nc1ccc(O)c(CN2C[C@@H]3OCCC[C@]3(CO)C2)c1 2238827573 RVOGJGYUDCCGSK-LSDHHAIUSA-N 278.352 0.948 10 10 CCCE C[C@H](N)c1ccc2c(c1)CCCN2CCOCC(N)=O 2241012970 CKYQFDLGTLXNMP-NSHDSACASA-N 277.368 0.961 10 10 CCCE COc1ccc(CN[C@@H]2C[C@H](O)[C@@H]2OC)c(O)c1 2258674382 QLZFBJOZJSVMPM-KGYLQXTDSA-N 253.298 0.639 10 10 CCCE OCc1ccc(N2CC[C@H]2[C@H](O)CO)cc1Cl 2249562049 BTWXCOGTBLASMR-NWDGAFQWSA-N 257.717 0.764 10 10 CCCE OCC(F)(F)C1(O)CN(c2ccc3c(c2)CCO3)C1 2272869461 KEBFUHSWSUUZHN-UHFFFAOYSA-N 271.263 0.800 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CCC[C@@H]2CCNC[C@@H]21 2290248321 NOEJTAXKNKPXBR-KOLCDFICSA-N 277.324 0.707 10 10 CCCE O=C(O)[C@@H]1CCN(C(=O)c2ccc(O)c(O)c2)C[C@H]1O 2295624169 FXUGCXZFCXZXSV-LDYMZIIASA-N 281.264 0.005 10 10 CCCE Cc1cc(N2C[C@H](O)[C@H](O)[C@H](CO)C2)ccc1[C@H](C)O 2289356897 AHKNBRLHLCBXIN-LWWSYDQCSA-N 281.352 0.199 10 10 CCCE CO[C@@H]1[C@@H](O)C[C@@H]1N[C@@H](C)c1c(O)cccc1O 2313160260 YUPARVIUVNFAHA-BSCUDYGSSA-N 253.298 0.897 10 10 CCCE NCCCSCCNC(=O)c1cccc(O)c1O 2314086207 ZRMDCQUYKFEMCP-UHFFFAOYSA-N 270.354 0.910 10 10 CCCE [N-]=[N+]=NCCN[C@]1(C(N)=O)CCCc2ccncc21 2337700756 PLTOJVYGXJIBDQ-GFCCVEGCSA-N 260.301 0.998 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@H]2CC[C@H](O)[C@H]2C1 2356974779 CMJKIVOSDYTSGE-JEZHCXPESA-N 279.292 0.646 10 10 CCCE C[C@H](C[S@@](C)=O)NCc1ccc(O)c(O)c1O 235482159 XHISTVDXGPNVGV-IWEMQMMOSA-N 259.327 0.660 10 10 CCCE CO[C@@H]1[C@H](OC(C)=O)O[C@H](C)[C@H](N=[N+]=[N-])[C@H]1OC(C)=O 504610171 ODLASXVOYXIJIR-HGZKMOMMSA-N 287.272 0.920 10 10 CCCE CN1C(=O)[C@@H]2ON(C)[C@@H](c3ccccc3O)[C@H]2C1=O 43253928 SQAIYUMUMXUFBF-OUAUKWLOSA-N 262.265 0.294 10 10 CCCE CC1(NC(=O)c2cccc(O)c2O)CCNCC1 229624690 YRZZHJDRIXQKFW-UHFFFAOYSA-N 250.298 0.970 10 10 CCCE C[C@H]1CC[C@@H](C(N)=O)CN1CC(=O)c1ccc(O)c(O)c1 42437973 PBVZBABYIITYBI-GXSJLCMTSA-N 292.335 0.866 10 10 CCCE CN1CCC[C@H]1CNC(=O)c1ccc(O)c(O)c1 227029562 VKOCFALYVNBTHE-JTQLQIEISA-N 250.298 0.922 10 10 CCCE C[C@H]1CCN(C(=O)c2ccc(O)c(O)c2)C[C@H]1N 235662033 MWPXMVZXXDGYNW-WCBMZHEXSA-N 250.298 0.907 10 10 CCCE C[C@H](O)CN1CCN(C(=O)c2cccc(O)c2O)C[C@H]1C 251547904 HBPOBQJYZLDJQO-MNOVXSKESA-N 294.351 0.625 10 10 CCCE CO[C@@]1([C@H](NN)c2ccc3c(c2)CCN3C)CCOC1 2163140936 OWSKERXWKDBLHT-CABCVRRESA-N 277.368 0.989 10 10 CCCE O=C(N[C@@H]1CCn2ncnc2C1)c1cccc(O)c1O 2165276048 ICSFHWQLZZUUCD-MRVPVSSYSA-N 274.280 0.434 10 10 CCCE CCS(=O)(=O)NC1CN(c2ccc([C@H](C)N)c(O)c2)C1 2165572003 HANRQUBWRICUNB-VIFPVBQESA-N 299.396 0.540 10 10 CCCE O=S1(=O)C[C@@H]2[C@H](C1)NCCN2c1ccc2c(c1)CCC2 2162669592 WULDIYPKGNTVMD-LSDHHAIUSA-N 292.404 0.751 10 10 CCCE O=C(NCc1c(O)cccc1F)C(=O)NC1CC1 902945686 VNBYBWBGLRWPEU-UHFFFAOYSA-N 252.245 0.426 10 10 CCCE CC(=O)C(=O)COC(=O)[C@@]1(C)Oc2ccccc2NC1=O 869586674 YLMHYCXOXRLSMN-AWEZNQCLSA-N 291.259 0.478 10 10 CCCE Nc1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)cc1 861544260 JEIQXOMALCGCJR-ZWKOPEQDSA-N 289.335 0.579 10 10 CCCE COc1ccc(O)c([C@@H](C)NC(=O)C2CS(=O)(=O)C2)c1 866762934 AETWTEVMHOTQTE-MRVPVSSYSA-N 299.348 0.623 10 10 CCCE O=C1CC[C@@H](C(=O)NCc2ccc3cccnc3c2O)N1 862028028 NNKMCQYOISLTND-NSHDSACASA-N 285.303 0.835 10 10 CCCE COC(=O)C(=O)[C@@H](C)OC(=O)/C=C\c1ccc(O)c(O)c1 778323584 MEJCLAMNPSZIAP-RZAAKKIOSA-N 294.259 0.785 10 10 CCCE CN(CCc1ccc(N)cc1)CC(C)(CO)CO 689707844 WNSCTZIXMZFYNB-UHFFFAOYSA-N 252.358 0.734 10 10 CCCE CN(C(=O)c1cn2cnnc2cn1)c1ccc(N)cc1 695039485 MLXGLJIYJDXQCP-UHFFFAOYSA-N 268.280 0.983 10 10 CCCE COc1ccc(CN2CCNC[C@H]2C(=O)O)c(O)c1 88658980 WTQPOMPFJNGYSX-NSHDSACASA-N 266.297 0.259 10 10 CCCE O=C(Cc1c(O)ncnc1O)NCc1c(O)cccc1F 1156171280 YZEWOUSTQAHDHA-UHFFFAOYSA-N 293.254 0.591 10 10 CCCE C[C@@H](N[C@H]1CCC(=O)NC1=O)c1cc(F)ccc1O 94618455 PLXGPCVVBOFBQY-XCBNKYQSSA-N 266.272 0.987 10 10 CCCE CN(C)C[C@H]1C[C@@H](O)CN1c1c(F)cc(CN)cc1F 97247622 LLNNYEUMBBZICI-GHMZBOCLSA-N 285.338 0.925 10 10 CCCE NCc1ccc(N2C[C@@H]3C[C@H](C2)[C@@H](O)[C@@H]3O)c(Cl)c1 2126151320 VNPOWPBGFWYAFW-RDBQEKCUSA-N 282.771 0.977 10 10 CCCE C[C@H](CO)CS(=O)(=O)Nc1ccc(O)cc1[N+](=O)[O-] 2127142883 SEKZICYYHRLKLF-SSDOTTSWSA-N 290.297 0.671 10 10 CCCE CN=c1nncc(NCCc2ccc(O)c(O)c2)[nH]1 2127957022 ZRFGAIRCJCMSRD-UHFFFAOYSA-N 261.285 0.401 10 10 CCCE OC[C@@H]1C[C@@H](O)CN1c1ccc2c(c1)CCC[C@@H]2O 2128279372 OTSWLCIYIPAVCB-GUTXKFCHSA-N 263.337 0.988 10 10 CCCE CN1C[C@@H](NCCc2ccc(O)c(O)c2)CCC1=O 2131979651 OKLWROLEJPCBDD-NSHDSACASA-N 264.325 0.851 10 10 CCCE O=[N+]([O-])c1cc(N2C[C@@H](O)C[C@@H]2CO)ccc1CO 2132052832 GAOKZRQXOFHCLB-MNOVXSKESA-N 268.269 0.019 10 10 CCCE O=C(c1cccc(O)c1O)N1C[C@H]2CC[C@]2(CO)C1 1901746129 GOXKNMDJGGSJLY-YMTOWFKASA-N 263.293 0.942 10 10 CCCE [N-]=[N+]=NCC1CCN(C[C@H](O)CN2CCOCC2)CC1 1912167419 KONZVKUTEYJIHF-ZDUSSCGKSA-N 283.376 0.702 10 10 CCCE [N-]=[N+]=NCCN[C@@H](C(N)=O)c1cc(O)cc(F)c1 223466643 QEVARUGSFAMOBX-SECBINFHSA-N 253.237 0.958 10 10 CCCE O=[N+]([O-])c1cc(CO)ccc1N1CC[C@@](F)(CO)C1 1917135946 KAKGPLSCZDDGPU-LBPRGKRZSA-N 270.260 0.998 10 10 CCCE CN(CC(=O)NC1CC1)C(=O)Cc1ccc(O)c(O)c1 1463744164 LSAQXFDWGVCICQ-UHFFFAOYSA-N 278.308 0.377 10 10 CCCE COc1ccc(N2CCNC(=O)[C@H]2CO)cc1OC 217171334 OUHUNIXPLSGRDH-SNVBAGLBSA-N 266.297 0.001 10 10 CCCE Nc1ccc(O)c(CN2CC[C@@]3(C[C@H](O)CO3)C2)c1 2137143336 ICNJYJBNTOUNTR-GXTWGEPZSA-N 264.325 0.700 10 10 CCCE CC[S@@](=O)CCNC(=O)Cc1ccc(O)c(O)c1 1629132220 NQRMORWQMZBFRG-GOSISDBHSA-N 271.338 0.525 10 10 CCCE COc1cccc(CNC(=O)c2cnc(O)n2C)c1O 1622778962 CRWPRQZWNVXGBL-UHFFFAOYSA-N 277.280 0.770 10 10 CCCE C[C@H](NC(=O)c1cccc(O)c1O)c1nccc(N)n1 1556759867 CJFXWKHANUSPHN-ZETCQYMHSA-N 274.280 0.961 10 10 CCCE C=CC(=O)NCCNC(=O)c1ccc(N=NC(N)=O)cc1 1632649749 UETGNSDOTUNOPF-UHFFFAOYSA-N 289.295 0.881 10 10 CCCE C[C@H](CNC(=O)Cc1ccc(O)c(O)c1)c1nncn1C 1638855834 OYMYZLJNODSEKB-SECBINFHSA-N 290.323 0.689 10 10 CCCE C=CC(=O)N(CC)CC(=O)NCc1cc(O)ccc1O 1633599002 KRIKUZOVZHXTOT-UHFFFAOYSA-N 278.308 0.749 10 10 CCCE C[C@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)N(C)C 1633738535 GTIKPFUIIFWAGU-QMMMGPOBSA-N 266.297 0.233 10 10 CCCE CC(=O)N1CC(NCc2cc(F)cc(F)c2O)C1 1926311469 JTZTXDBBQVBPJA-UHFFFAOYSA-N 256.252 0.991 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)Nn1nnc2c1CCCC2 1597443938 VNIWRANNVXGJIQ-UHFFFAOYSA-N 288.307 0.881 10 10 CCCE COc1cc(N2CCO[C@@H]([C@@H](C)O)C2)ccc1CO 2139703295 WQPYPNPCGZKGLX-QMTHXVAHSA-N 267.325 0.774 10 10 CCCE Cc1ccccc1N1NC(=O)[C@@H](CCC(=O)O)C1=O 106662909 FHCBBSSTNJMWOG-SECBINFHSA-N 262.265 0.854 10 10 CCCE CN(C)C[C@@H]1C[C@H](O)CN1C(=O)c1ccc(O)c(O)c1 234229310 YHEMSRHOAGWGEY-QWRGUYRKSA-N 280.324 0.235 10 10 CCCE NC[C@H]1C[C@@H](NC(=O)CCOc2ccc(N)cc2)C1 1876518356 DRXCRSZEKCKLAV-KLPPZKSPSA-N 263.341 0.891 10 10 CCCE C[C@@H](O)c1cc(F)c(N2CC(CO)(CO)C2)c(F)c1 1880482459 PBMSBXFASVMOQI-MRVPVSSYSA-N 273.279 0.809 10 10 CCCE O=S1(=O)CC[C@H]1CNCc1cc2c(cc1O)OCO2 1972336991 FLIUOGNSXGALQB-VIFPVBQESA-N 285.321 0.398 10 10 CCCE CSCCS(=O)(=O)NCc1cc(N)ccc1O 2005797335 JCIVQZVPZJWRPB-UHFFFAOYSA-N 276.383 0.757 10 10 CCCE NC[C@@H]1C[C@@H]2OCC[C@@H]2N1C(=O)c1cccc(O)c1O 2146638261 LAAHPDNSWSFSJR-PEXQALLHSA-N 278.308 0.429 10 10 CCCE CC(=O)NS(=O)(=O)CCOc1ccc(N)cc1 2017000102 TXFSRDGJOMYRKM-UHFFFAOYSA-N 258.299 0.114 10 10 CCCE NC(=O)CN(Cc1ccc(N)cc1)c1cccnn1 52831643 JNDJGWVJFZPPEC-UHFFFAOYSA-N 257.297 0.551 10 10 CCCE CCC[C@@H](N)CNC(=O)Cc1ccc(O)c(O)c1 2027485396 XRFMKQWHMBELQK-SNVBAGLBSA-N 252.314 0.884 10 10 CCCE CN[C@H]1C[C@@H](C)N(C(=O)c2cccc(O)c2O)C1 2028482896 ZXNWOWSEIFAMHY-BDAKNGLRSA-N 250.298 0.920 10 10 CCCE C[C@H](O)c1ccc(N2C[C@H](CO)C[C@H]2CO)cc1 2029385390 QBMWXAYIFKZSGS-WDMOLILDSA-N 251.326 0.919 10 10 CCCE CC(C)(ONC(=O)c1cccc(O)c1O)C(=O)O 2041630385 IEXFJTWQQUTCCO-UHFFFAOYSA-N 255.226 0.622 10 10 CCCE Nc1ccc(CC(=O)NCCN2CCCCC2=O)cc1 405417762 BMZDVOVURVHPMJ-UHFFFAOYSA-N 275.352 0.940 10 10 CCCE NC[C@H](NC(=O)c1cc(O)nc(O)c1)c1ccccc1 2179668076 QRGXSLGDPYTTQU-NSHDSACASA-N 273.292 0.923 10 10 CCCE CO[C@@H]1C[C@H]1C(=O)N1CCN(c2ccc(N)cc2)CC1 709656040 FYTDNPAQNVNNRF-ZIAGYGMSSA-N 275.352 0.952 10 10 CCCE NCc1cc(F)c(N2C[C@@H](CO)[C@H](CO)C2)c(F)c1 704697973 HVEKSKBPUAYQAU-UWVGGRQHSA-N 272.295 0.461 10 10 CCCE O=C(N[C@H](C(=O)O)[C@H]1CCCO1)c1cccc(O)c1O 2172511402 KDSAQKJPJXZTFV-ZJUUUORDSA-N 281.264 0.460 10 10 CCCE Cn1cc([C@](C)(NCCCN=[N+]=[N-])C(N)=O)cn1 710078787 OJNSMNMIPFZEPK-JTQLQIEISA-N 251.294 0.411 10 10 CCCE CCO[C@@H]1CNC[C@@H]1C(=O)N(C)Cc1ccccc1O 690069153 KBLLOZMPWFSEFQ-GXTWGEPZSA-N 278.352 0.975 10 10 CCCE C[C@]1(C(=O)O)CN(C(=O)c2cccc(O)c2O)CCO1 711527955 NYTCQUYGBOCJJZ-CYBMUJFWSA-N 281.264 0.414 10 10 CCCE C[C@@]1(CO)CCN(CC(=O)Nc2ccc(N)cc2)C1 381749634 NGWDAMNJJHJLSY-CQSZACIVSA-N 263.341 0.912 10 10 CCCE COC(CN(C)C(=O)c1cc(O)nc(O)c1)OC 714648716 RHTDWAWLKLELBB-UHFFFAOYSA-N 256.258 0.184 10 10 CCCE COc1cc(Cl)cc(CNCCc2nn[nH]n2)c1O 388344625 YSYNTHNMRYMIDK-UHFFFAOYSA-N 283.719 0.900 10 10 CCCE CNCc1cc(F)c(N2CCOC[C@H](O)C2)c(F)c1 399906034 CKYJPAWBUQIPIN-SNVBAGLBSA-N 272.295 0.882 10 10 CCCE NCc1cc(F)c(N2CCOC[C@@H](O)C2)c(F)c1 399902016 AZQQAWMJCOMRRF-VIFPVBQESA-N 258.268 0.621 10 10 CCCE CC[C@@H]1CN(C(=O)COc2ccc(N)cc2)C[C@@H]1O 399918306 KLUHIAYHIBGUPF-MFKMUULPSA-N 264.325 0.877 10 10 CCCE C[C@H](NC(=O)CS(C)(=O)=O)c1ccccc1O 827978198 KJRCPNNALJQGEY-QMMMGPOBSA-N 257.311 0.614 10 10 CCCE Cc1cc(O)n2ncc(C(=O)NCC[C@H](C)O)c2n1 2062997749 RUJQKWOIVSWITC-QMMMGPOBSA-N 264.285 0.244 10 10 CCCE Oc1ccc(F)cc1CNC[C@@H]1C[C@H]2C[C@H]1[C@@H](O)[C@H]2O 2174416924 PRQSHNNUBODCSP-DOEPTHPASA-N 281.327 0.999 10 10 CCCE CCOC(=O)[C@@]1(NCCN=[N+]=[N-])CO[C@@]2(CCOC2)C1 2178945080 MHINNYXBZWERIR-RYUDHWBXSA-N 284.316 0.768 10 10 CCCE O=C(N[C@@H]1C[C@@H]2CNC[C@@H]2C1)c1cc(O)c(O)c(O)c1 2188919156 KTTARTJHGRHXAH-ILWJIGKKSA-N 278.308 0.531 10 10 CCCE COc1cc(N)c(N2CC[C@](C)(O)[C@H](O)C2)cc1OC 2197967524 QPAZRWHJDPYHAV-KGLIPLIRSA-N 282.340 0.608 10 10 CCCE CN(c1ccc2c(c1)CCC[C@@H]2O)[C@@H]1CC(=O)NC1=O 2184685249 VQYXVWVXDWLTSG-OLZOCXBDSA-N 274.320 0.908 10 10 CCCE CN(C)c1ccc([C@](C)(O)[C@@H]2CNCCO2)cc1 2044715554 VFMLMEJHERUAAA-KBPBESRZSA-N 250.342 0.949 10 10 CCCE C[C@H](N)c1ccc(N2CCN3CCOC[C@@H]3C2)cc1O 2185890200 HRUVIFIBYSSJLF-AAEUAGOBSA-N 277.368 0.933 10 10 CCCE Nc1ccc(OCC(=O)N2CCn3nncc3C2)cc1 2186623778 LQNPMZAHDDLVSQ-UHFFFAOYSA-N 273.296 0.282 10 10 CCCE Nc1ccc(OCC(=O)N[C@H]2CCONC2)cc1 2071678307 HIDLCQWLZPFQOY-JTQLQIEISA-N 251.286 0.057 10 10 CCCE COc1ccc(N2CC[C@@H](O)C[C@@H]2CO)c(N)c1 2080492603 SSUJCLXDPDKZTI-NXEZZACHSA-N 252.314 0.599 10 10 CCCE C[C@]1(O)CN(CCc2ccc(N)cc2)CC[C@@H]1O 2081716408 ONYBJTHSKLLUSL-KBPBESRZSA-N 250.342 0.629 10 10 CCCE CCNCc1ccc(N2C[C@H]3C[C@H]2[C@@H](O)[C@@H]3O)cc1 2104426862 VGYYOQCOSSKPNP-FAAHXZRKSA-N 262.353 0.726 10 10 CCCE N[C@@H]1CC[C@@H]1C(=O)NCCc1ccc(O)c(O)c1 2085052381 GXBLJTBCIINSFF-VHSXEESVSA-N 250.298 0.494 10 10 CCCE Nc1ccc(CS(=O)(=O)NC2(CCCO)CC2)cc1 2090101380 FPMVUGQSLOMPOE-UHFFFAOYSA-N 284.381 0.993 10 10 CCCE COCCN1CC[C@@](O)([C@@H](N)c2ccccc2O)C1 2091860833 WXCYGZPEOMRPCE-KBPBESRZSA-N 266.341 0.475 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC[C@H]2[C@H](C1)[C@@H]2CO 2093156643 VKEYMKJIYFORCM-LPEHRKFASA-N 264.281 0.193 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NC1(C2CNC2)CC1 2095034099 YBLBULVLMGZYJP-UHFFFAOYSA-N 262.309 0.509 10 10 CCCE CNCc1ccc(N2C[C@@H](CO)[C@H](CO)C2)cc1OC 2204543624 PUQWKMLAYRRAQN-STQMWFEESA-N 280.368 0.452 10 10 CCCE COc1cc(N2CC[C@H]3C[C@H]2[C@H](O)[C@H]3O)ccc1CN 2204537491 SOSUDRXUYZAXES-HLHNXRDNSA-N 278.352 0.474 10 10 CCCE [N-]=[N+]=NCC1CCN([C@@H]2CC(CO)(CO)C[C@@H]2O)CC1 2206388672 AEPDOKVYSSDADJ-NEPJUHHUSA-N 284.360 0.503 10 10 CCCE COC(=O)CCS(=O)(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-] 2218740200 IIOTWZFAXHAGAZ-YUMQZZPRSA-N 276.318 0.700 10 10 CCCE Cc1cc([C@@H](C)O)ccc1N1CC[C@@](O)(C(N)=O)C1 2232091364 GHFLEYKAUSYCGN-YGRLFVJLSA-N 264.325 0.475 10 10 CCCE NCc1ccc(N2C[C@H]3COC[C@]3(CO)C2)c(F)c1F 2234560506 XBEDZPLTDJXIOD-IINYFYTJSA-N 284.306 0.869 10 10 CCCE C[C@H](c1c(O)cccc1O)N1C[C@@H]2CN[C@@H](CO)[C@H]2C1 2235567615 KKWAFNRBIUHDCD-RHYQMDGZSA-N 278.352 0.671 10 10 CCCE C[C@H](O)c1ccc(N2CC[C@](O)(CO)[C@@H](O)C2)cc1 2225726895 MBEFPSMGKJPWIM-BPNCWPANSA-N 267.325 0.034 10 10 CCCE CNCc1cc(OC)ccc1N1CCNC(=O)C12CC2 2235962859 JGFVTXRBYOLMBD-UHFFFAOYSA-N 275.352 0.883 10 10 CCCE Nc1ccc(NC(=O)N2C[C@@H](CO)C[C@@H](CO)C2)cc1 2236634631 GJALBCWPBIGMIJ-PHIMTYICSA-N 279.340 0.723 10 10 CCCE COc1cc(N2C[C@@H](CO)C[C@H](CO)C2)ccc1CO 2236633274 NSQXWJPMWOXCBH-RYUDHWBXSA-N 281.352 0.615 10 10 CCCE COc1ccc(N(C)C[C@]2(O)CCOC2)c(CN)c1 2227676961 FPMWALNDVPYZOD-CQSZACIVSA-N 266.341 0.742 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3CC4(CCC(=O)N4)C3)ccc21 2238032991 WKUZMQDESIFISB-GFCCVEGCSA-N 272.308 0.107 10 10 CCCE CN1CC2(CCN2CC(=O)N(C)c2ccc(N)cc2)C1 2238597739 QQLKYZJHKCFHIW-UHFFFAOYSA-N 274.368 0.622 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3CC[C@@]4(O)C[C@@H]4C3)ccc21 2280028960 XGOZFQYTOMYDGE-ZDBHGNHJSA-N 273.336 0.860 10 10 CCCE CC1(C)C(=O)NC[C@H]1NC(=O)CCc1ccc(N)cc1 2281213214 XEUUVQIDFKDGFR-GFCCVEGCSA-N 275.352 0.842 10 10 CCCE CO[C@H]1[C@@H](N[C@@H](C)c2ccc(O)cc2O)C[C@H]1O 2258689113 HUDYCVPQCJQBBC-SWMFJSFKSA-N 253.298 0.897 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1C[C@@H]2C[C@H](C1)[C@@H]2O 2270717594 ZPMXGCLXLDFTNZ-MSRIBSCDSA-N 263.293 0.480 10 10 CCCE Nc1ccc(CN2C[C@@H]3OCC[C@@]3(C(=O)O)C2)cc1 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Nc1ccc(OCC(=O)N[C@H]2CCC(=O)NC2)cc1 111014903 XPUDYDOZGDQOQK-JTQLQIEISA-N 263.297 0.042 10 10 CCCE O=C(C[C@H]1C=CS(=O)(=O)C1)NCc1ccc(O)cc1O 1451761160 RXHCLUZJEFFUCH-SECBINFHSA-N 297.332 0.662 10 10 CCCE CCOc1ccc(N2CCN(C)C(=O)[C@@H]2CN)cc1 216992886 VWNXAIPMRMDFAE-ZDUSSCGKSA-N 263.341 0.691 10 10 CCCE COc1ccc(N2C[C@@H](O)CNC[C@@H]2C)c(OC)c1 217180372 BSUABVONQRKNIU-QWRGUYRKSA-N 266.341 0.863 10 10 CCCE NS(=O)(=O)c1ccc(CNCc2ccccc2O)o1 228408948 NUNVHPSZHICKHX-UHFFFAOYSA-N 282.321 0.922 10 10 CCCE CCN(CCC(=O)Nc1ccc(N)cc1)CC(N)=O 231815511 MGUAWZHNKOHPJS-UHFFFAOYSA-N 264.329 0.405 10 10 CCCE CCN(Cc1ccc(F)cc1O)[C@@H]1CC(=O)NC1=O 2139790786 RYHUXEDSEGGURH-SNVBAGLBSA-N 266.272 0.768 10 10 CCCE COc1cc(C)c(N(C)C[C@H](O)CN)c(OC)c1 259142053 URCYJCQFODHFAG-SNVBAGLBSA-N 254.330 0.768 10 10 CCCE CN(CC(=O)O)c1ccc2c(c1)CC(=O)N2CCC(=O)O 259348810 FDCDOOGBGCJZDX-UHFFFAOYSA-N 292.291 0.571 10 10 CCCE CNC(=O)[C@@H](C)CN(C)CCOc1ccc(N)cc1 234358894 ZXKGGXKFRLWMGY-NSHDSACASA-N 265.357 0.962 10 10 CCCE Cc1ccc(O)c(CNCCC(=O)N(C)CC(=O)O)c1 1857864585 VZXKRNNYSSXMQK-UHFFFAOYSA-N 280.324 0.723 10 10 CCCE CC(C)(C)OC(=O)NOCC(=O)NCCN=[N+]=[N-] 1963809000 JWVIQWDCPGMYEN-UHFFFAOYSA-N 259.266 0.869 10 10 CCCE CN(CCN(C)S(C)(=O)=O)Cc1ccccc1O 1964125438 QGDMDAFXSSREAS-UHFFFAOYSA-N 272.370 0.715 10 10 CCCE Nc1ccc(CC(=O)N2CC(=O)N3CCC[C@H]3C2)cc1 1966936702 POHCRVYCHYDCGQ-ZDUSSCGKSA-N 273.336 0.645 10 10 CCCE CO[C@@H]1CCN(C(=O)Cc2ccc(N)cc2)[C@@H](CN)C1 1972008398 RXLANRGLHUBROU-ZIAGYGMSSA-N 277.368 0.776 10 10 CCCE Nc1ccc(CCCN2C[C@]3(CO)C[C@]3(CO)C2)cc1 2146767089 FFHYLMRJQPQPCI-IYBDPMFKSA-N 276.380 0.878 10 10 CCCE COC(=O)[C@H]1COCCN1C(=O)Nc1ccc(N)cc1 163459872 ACOVVTITBQNARY-LLVKDONJSA-N 279.296 0.675 10 10 CCCE CNCc1ccc(N2CC(=O)NC(=O)[C@H]2C)c(Cl)c1 164080426 XSQDPANRGRFNMH-MRVPVSSYSA-N 281.743 0.911 10 10 CCCE C[C@@H]1CCN(c2ccc3c(c2)NC(=O)[C@@H]3N)C[C@H]1O 300009363 NYBHWFRWTAPIFI-BZHVJNSISA-N 261.325 0.846 10 10 CCCE CN1CCOC[C@@H]1CNCc1ccc(O)c(O)c1O 700231584 HYYMONIBGZSVQV-JTQLQIEISA-N 268.313 0.224 10 10 CCCE O=C(N[C@@]1(CF)CCNC1)c1ccc(O)c(O)c1 2040510334 XFYGXMJIANOIIC-GFCCVEGCSA-N 254.261 0.529 10 10 CCCE Nc1ccc(OCC(=O)N2CC(F)(F)C[C@H]2CO)cc1 2159053028 XIPKVJBRCAHWGE-JTQLQIEISA-N 286.278 0.876 10 10 CCCE Nc1ccc(CS(=O)(=O)NCCN2CCC2)cc1 700050039 GNMKQDNZBNBHAF-UHFFFAOYSA-N 269.370 0.394 10 10 CCCE CN(C)S(=O)(=O)c1ccc(C(=O)NCCN=[N+]=[N-])cc1 74320347 SNEHBLCFNHBVCB-UHFFFAOYSA-N 297.340 0.977 10 10 CCCE C[C@@H](NCCN1C(=O)CCC1=O)c1cc(O)ccc1O 405448163 SRDYUDMACPNGLP-SECBINFHSA-N 278.308 0.897 10 10 CCCE COC(=O)[C@]1(NCCCN=[N+]=[N-])CCS(=O)(=O)[C@H]1C 311616365 GTFJXYRFKYMYSZ-WPRPVWTQSA-N 290.345 0.395 10 10 CCCE C[C@@H](NCCCCS(N)(=O)=O)c1ccc(O)cc1O 312068248 GGOKSYQVROUSLN-SECBINFHSA-N 288.369 0.817 10 10 CCCE CN1CCN(CCC(=O)Nc2ccc(N)cc2)S1(=O)=O 312477422 SSJQKMKUEUTXDK-UHFFFAOYSA-N 298.368 0.090 10 10 CCCE CN(C)c1ccc(CNC(=O)[C@H]2COCC[C@H]2N)cc1 2176110928 OIGFZMUKBOFRRR-UONOGXRCSA-N 277.368 0.733 10 10 CCCE [N-]=[N+]=NCCNC(=O)CSCC(=O)N1CCOCC1 701304441 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C[C@@H]1C(=O)NC(=O)CN1c1ccc2c(c1)CCC[C@H]2O 2184686528 IKLJJBJGVGAGJL-NOZJJQNGSA-N 274.320 0.908 10 10 CCCE CC(C)(C)OC[C@@H](N)C(=O)C(=O)C[C@H]1C[C@H](N)C1 2049783140 RPYWEXVJYNGZQS-OPRDCNLKSA-N 256.346 0.394 10 10 CCCE Nc1ccc(OCC(=O)NC[C@@H]2C[C@@H]2CO)cc1 2053966230 LORYLEYKMQYCJX-VHSXEESVSA-N 250.298 0.392 10 10 CCCE O=C(NCc1ccccc1O)[C@@H]1C[C@@H](O)CCN1 2057320189 CPJNSEIZEHZUOE-QWRGUYRKSA-N 250.298 0.121 10 10 CCCE Nc1ccc(OCCC(=O)N[C@@H]2CCNC[C@@H]2F)cc1 2191755461 FEXKMPHWRLEQIW-QWHCGFSZSA-N 281.331 0.854 10 10 CCCE CN[C@@H]1CCSC[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 2198286070 BPTPLYSLBUXBIR-MNOVXSKESA-N 296.392 0.850 10 10 CCCE O=C1Nc2cc(N3C[C@@H]4CC[C@@]4(CO)C3)ccc2[C@H]1O 2198863084 ABAFQTIMWJGIRL-RJIBLYRGSA-N 274.320 0.881 10 10 CCCE CC1(C)OC[C@@H](NCc2ccc(O)c(O)c2)[C@@H]1O 2078736993 IKZLYRVSXNGJIV-SKDRFNHKSA-N 253.298 0.726 10 10 CCCE CCSC[C@H](NC(=O)c1cc(O)nc(O)c1)C(=O)O 2101577562 AQVFOIMFBOPJOQ-ZETCQYMHSA-N 286.309 0.429 10 10 CCCE CC[C@H](O)CN(C)CC(=O)N(C)c1ccc(N)cc1 2106622157 UBCUFJWCCGRIIP-ZDUSSCGKSA-N 265.357 0.934 10 10 CCCE C[C@H]([C@H](NN)c1ccc2c(c1)CCN2C)S(C)(=O)=O 2106861804 MQBHGIJYWMZKBK-RNCFNFMXSA-N 283.397 0.616 10 10 CCCE Nc1ccc(O)c(CN2CCO[C@@H]3COCC[C@@H]32)c1 2087463123 GYULPJKBHJTKEC-GXTWGEPZSA-N 264.325 0.964 10 10 CCCE CC[C@H]1C[C@@H](N)CN1C(=O)Cc1ccc(O)c(O)c1 2088876124 ZEMIROVOEUPHTL-MNOVXSKESA-N 264.325 0.979 10 10 CCCE Oc1nnc(NCCc2ccc(O)c(O)c2)c(O)n1 2091750574 GDILBUSXUUDFJC-UHFFFAOYSA-N 264.241 0.349 10 10 CCCE O=C1Nc2cc(N3C[C@@H](O)C4(CC4)C3)ccc2[C@H]1O 2093334962 DXMVLMQASFINBL-VXGBXAGGSA-N 260.293 0.633 10 10 CCCE C[C@H](CC(N)=O)N(C)c1ccc2c(c1)NC(=O)[C@H]2O 2094991943 ZZDGOLIKLKDKJU-KRTXAFLBSA-N 263.297 0.372 10 10 CCCE COc1cc(N2C[C@H](CO)OCC23CC3)ccc1CN 2204544562 CRLLYCNYIAKXTP-CYBMUJFWSA-N 278.352 0.884 10 10 CCCE COCCn1nnnc1CNCc1ccc(C)cc1O 2204632606 IKSWCCVEJQSYJC-UHFFFAOYSA-N 277.328 0.623 10 10 CCCE O[C@H]1CN(c2ccc3c(c2)OCCO3)CC[C@H]1O 2219597650 LLSVKEGSYGFRQY-MNOVXSKESA-N 251.282 0.390 10 10 CCCE COC[C@@H](O)CN(C)c1ccc(OC)cc1CN 2220413493 CWUMZSFXMMJMJN-NSHDSACASA-N 254.330 0.597 10 10 CCCE [N-]=[N+]=N[C@@H]1CCC[C@H]1NC(=O)Cc1cc(O)nc(O)n1 2234173621 YQTDLXASMAGFAG-HTQZYQBOSA-N 278.272 0.778 10 10 CCCE CNCc1cc(OC)ccc1N1CCN(C)[C@@H](CO)C1 2235965742 IRUJRRSSTIDXDT-CYBMUJFWSA-N 279.384 0.527 10 10 CCCE N[C@H]1[C@H]2C[C@@H](CN(Cc3c(O)cccc3F)C2)[C@H]1CO 2239329575 BPNJBNROHIUYQG-JOXOIDLHSA-N 280.343 0.919 10 10 CCCE Nc1ccc(CN2C[C@H](O)CC[C@@H]2C(=O)O)cc1 2253581463 JZWPKJYLUUDGSV-VXGBXAGGSA-N 250.298 0.679 10 10 CCCE N[C@]1(C(=O)C(=O)C[C@H]2C[C@H](N)C2)C[C@@H]2CCC[C@@H]21 2260005075 DHEWWBBCEKOQII-MMROJZCPSA-N 250.342 0.770 10 10 CCCE CO[C@@H]1[C@H](O)C[C@H]1NCc1cc2c(cc1O)OCO2 2271168698 FIGRNNCMGSUOFK-JQEORGNBSA-N 267.281 0.359 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CC[C@@]4(O)C[C@H]4C3)ccc21 2265259883 DYUWELFMGFTAGV-ORUWWINDSA-N 259.309 0.600 10 10 CCCE Cc1cc(N2CCOC[C@@H]2[C@@H](O)CO)ccc1[C@@H](C)N 2285129960 DPNGMYLDRDKDDS-DFBGVHRSSA-N 280.368 0.573 10 10 CCCE Nc1cc2c(cc1N1C[C@@H]3C[C@H](C1)[C@@H]3O)NC(=O)CO2 2286222350 DJOKEGAAPMCUKA-ATTMTXSRSA-N 275.308 0.417 10 10 CCCE N[C@@H]1C[C@H]2C[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 2333671852 JEBKUDIBGISHEH-SZEHBUNVSA-N 263.297 0.302 10 10 CCCE OCc1ccc(N2C[C@H](O)C[C@@H](O)C2)cc1C1CC1 2339160803 NKDVJBREZWDJLU-ZIAGYGMSSA-N 263.337 0.988 10 10 CCCE CN(C[C@@H](O)CN1CCCC1=O)c1ccc2c(c1)OCO2 121403107 PADSLEJDMJQFEE-GFCCVEGCSA-N 292.335 0.835 10 10 CCCE COc1cccc(CN(C)CC(=O)N2CCNCC2)c1O 38030909 FHXAIQYPTWODRW-UHFFFAOYSA-N 293.367 0.264 10 10 CCCE CN1CCC[C@H](NC(=O)c2cccc(O)c2O)C1 126277199 GOEGJLKNDOSPBH-VIFPVBQESA-N 250.298 0.922 10 10 CCCE COCCOCCNC(=O)CCOc1ccc(N)cc1 44683745 AIJQTPCBZKYLFH-UHFFFAOYSA-N 282.340 0.817 10 10 CCCE COc1ccc([C@H](C)N[C@@H]2CNC(=O)C2)c(O)c1 228994182 USEFGQFZWBNJIL-IUCAKERBSA-N 250.298 0.940 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N3CCC[C@@H](C(N)=O)C3)ccc21 223427326 GGBGSTVAAIFBNT-NOZJJQNGSA-N 288.351 0.601 10 10 CCCE Nc1ccc(NC(=S)N[C@@H]2C=CS(=O)(=O)C2)cc1 40166783 NVCRJELJLMLRHP-SNVBAGLBSA-N 283.378 0.866 10 10 CCCE Nc1ccc(N2CCN(C(=O)N[C@H]3CCOC3)CC2)cc1 94889066 HGFKRWAJABREIL-ZDUSSCGKSA-N 290.367 0.889 10 10 CCCE C[C@@H](c1cc(O)ccc1O)N1CCC(O)(CN)CC1 397032459 MAIIJKNIAFZZEU-JTQLQIEISA-N 266.341 0.944 10 10 CCCE CN[C@H]1CCCC[C@@H]1NC(=O)c1cc(O)nc(O)c1 721635732 ZCYYFVUVLAJLMD-UWVGGRQHSA-N 265.313 0.753 10 10 CCCE CC(=O)C(=O)COC(=O)c1ccc([N+](=O)[O-])cc1 808497594 BLKPQPNAENOCCB-UHFFFAOYSA-N 251.194 0.910 10 10 CCCE Cn1cc(CCOC(=O)COc2ccc(N)cc2)nn1 2164344837 SFQOHASUYDZBGS-UHFFFAOYSA-N 276.296 0.562 10 10 CCCE CCCN[C@@H](C)[C@H](C)NC(=O)c1cc(O)nc(O)c1 721627004 AIABWBAWXIYHTI-IUCAKERBSA-N 267.329 0.999 10 10 CCCE CO[C@H](C(=O)O)C(=O)NCc1ccc2c(c1)CCCN2C 901754646 MTPBHNADLDEAAM-ZDUSSCGKSA-N 292.335 0.785 10 10 CCCE COc1cccc(CNC(=O)[C@H]2CCC(=O)O2)c1O 866763765 OAGMTYJZHSHHTB-SNVBAGLBSA-N 265.265 0.723 10 10 CCCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CC(N)=O 773747735 GTEJOJPMRBNREA-ZETCQYMHSA-N 252.270 0.020 10 10 CCCE COC(=O)[C@@H]1CCCN1C(=O)c1cc(O)c(O)c(O)c1 170190787 FPAOYPAZBSWCHX-QMMMGPOBSA-N 281.264 0.581 10 10 CCCE CCOC(=O)CNC(=O)[C@@H](N)c1ccccc1O 83391562 UWCDEOHBSMKGGR-NSHDSACASA-N 252.270 0.071 10 10 CCCE O=S1(=O)CC(CNCc2ccc(O)c(O)c2)C1 701905397 PORGBHKZAYWSRH-UHFFFAOYSA-N 257.311 0.232 10 10 CCCE Nc1ccc(CS(=O)(=O)NC[C@@]23COC[C@H]2C3)cc1 689275731 JVKBMGOLTDULRU-YPMHNXCESA-N 282.365 0.725 10 10 CCCE O=C(NCc1cccc(O)c1O)[C@H]1CCS(=O)(=O)C1 1153792601 UVHXUETZJYOWKA-VIFPVBQESA-N 285.321 0.149 10 10 CCCE C[C@H](c1ccc(O)cc1O)N1CCN(C2CNC2)CC1 90306610 QORXCBCDBVQMQU-LLVKDONJSA-N 277.368 0.748 10 10 CCCE C[C@@H](CNCc1cc2c(cc1O)OCO2)c1nnn[nH]1 95227551 HXGAFXODMLSBNU-ZETCQYMHSA-N 277.284 0.527 10 10 CCCE Nc1ccc(CNc2ncccc2S(N)(=O)=O)cc1 1162784302 JNMCIMVRBWXRLL-UHFFFAOYSA-N 278.337 0.923 10 10 CCCE NCc1ccc(N2C[C@@H]3C[C@H](C2)[C@H](O)[C@H]3O)cc1Cl 2126162436 SIFVDEVCGSYEBZ-DJBIQUGXSA-N 282.771 0.977 10 10 CCCE N[C@@H]1CC(C(=O)N2CCCc3ccccc32)=C[C@H]1O 2131467458 ZCNXJEYBPPOFJN-TZMCWYRMSA-N 258.321 0.984 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@H](N)C1(O)CCC1 2131531825 WDMJJXZMAPOFJQ-LBPRGKRZSA-N 264.325 0.593 10 10 CCCE O[C@@H]1CCCc2cc(N3CC[C@@H](O)[C@H](O)C3)ccc21 2132177381 RMVFZYOAPYKFGZ-RBSFLKMASA-N 263.337 0.988 10 10 CCCE O=C1Nc2cc(N3C[C@@H]4C[C@@H]4[C@@H]3CO)ccc2[C@H]1O 1905822461 KCLCQAAULBIPEU-CETXONJKSA-N 260.293 0.489 10 10 CCCE [N-]=[N+]=NCCN[C@]1(C(N)=O)C[C@@H]2CCCCN2C1 1912154761 IPOQHCPJXCLNNA-GXSJLCMTSA-N 252.322 0.369 10 10 CCCE C[C@H](NC(=O)c1ccc(O)c(O)c1)C1(O)CCNCC1 1918793159 ALHBRVICQZJPFN-VIFPVBQESA-N 280.324 0.331 10 10 CCCE CCc1nncn1CCNC(=O)Cc1ccc(O)c(O)c1 1293780483 IZQIEHBIEBETIG-UHFFFAOYSA-N 290.323 0.611 10 10 CCCE CNC(=O)C1(NC(=O)c2cccc(O)c2O)CCCC1 1464658151 XRHNZQBXTPQTAM-UHFFFAOYSA-N 278.308 0.886 10 10 CCCE NC(=O)N=Nc1ccc(C(=O)NCCCO)cc1 1540771299 CCWZFEYKPXJMOZ-UHFFFAOYSA-N 250.258 0.961 10 10 CCCE O=C1C[C@@H](C(=O)NCc2ccc3cccnc3c2O)N1 1627073439 NNRMYJGEUNESPC-JTQLQIEISA-N 271.276 0.445 10 10 CCCE Nc1ncc(/C=C\C(=O)NCc2ccc(O)cc2O)cn1 1565521076 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CN(CC(=O)O)C(=O)CNCc1ccc(N(C)C)cc1 1857865291 FWISZOIUZWNFDS-UHFFFAOYSA-N 279.340 0.385 10 10 CCCE N[C@@H]1COC[C@H]1c1nc(-c2ccc(O)c(O)c2)no1 236300800 FPIJXTRRROSWFL-HTQZYQBOSA-N 263.253 0.589 10 10 CCCE Nc1cc2c(cc1N1C[C@@H]3CC[C@@]3(N)C1)OCCO2 1876187630 OHGAMFIFXPIIQZ-LKFCYVNXSA-N 261.325 0.968 10 10 CCCE Nc1ccc(OCC(=O)NCC[C@H]2CCCN2)cc1 1876512567 FETXGIUCZZKWJD-GFCCVEGCSA-N 263.341 0.906 10 10 CCCE COc1nc(=N)[nH]c(=N[C@@H](C)c2ccccc2O)[nH]1 1877590439 UAFVZKNXMJVOMA-ZETCQYMHSA-N 261.285 0.593 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3C[C@H]4COCC[C@H]43)ccc21 1878829816 RKLHMMMFOSPKBN-CKLFPEKLSA-N 259.309 0.864 10 10 CCCE O=C1CN(Cc2cc(Cl)ccc2O)[C@@H](C(=O)O)CN1 1963615087 TXELQMSTLNAYCZ-SECBINFHSA-N 284.699 0.431 10 10 CCCE COc1cccc(CN2CCC[C@](O)(C(=O)O)C2)c1O 1964722244 RUIJYJKZTKRNDG-CQSZACIVSA-N 281.308 0.812 10 10 CCCE NC(=O)CN(Cc1ccc(N)cc1)C[C@H]1CCOC1 41079493 MYJOQXHUCHDWIY-GFCCVEGCSA-N 263.341 0.593 10 10 CCCE N[C@H]1CC=C(C(=O)NCCc2ccc(O)c(O)c2)C1 1968739082 KLOJXJVIEVNNGM-NSHDSACASA-N 262.309 0.804 10 10 CCCE COC(=O)c1cc(CN2CCNCC2)c(O)cc1O 258464633 GOAOCHCEXGIWRH-UHFFFAOYSA-N 266.297 0.290 10 10 CCCE Cn1nccc1NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 44593718 NMJIJNZFNMTHIW-VIFPVBQESA-N 276.296 0.340 10 10 CCCE COCCOCCNS(=O)(=O)Cc1ccc(N)cc1 44687999 MYZNYUUBEUFMTP-UHFFFAOYSA-N 288.369 0.351 10 10 CCCE C[C@H]1CN(C(=O)c2cccc(O)c2O)CC(=O)N1C 282331949 KLLYNGLVFGYXTR-QMMMGPOBSA-N 264.281 0.401 10 10 CCCE COCCCNC(=O)COC(=O)Cc1ccc(N)cc1 49283510 MOFRERKGVMDGTQ-UHFFFAOYSA-N 280.324 0.507 10 10 CCCE CN1CCN(C)[C@H](C(=O)N2CCC[C@@H](CN=[N+]=[N-])C2)C1 2155745061 ZLGQUZKWMDQXBK-RYUDHWBXSA-N 280.376 0.781 10 10 CCCE C[C@H](NCC(F)(F)C(N)=O)c1ccc(O)cc1O 2029283062 JLYDNJICSSZOPY-LURJTMIESA-N 260.240 0.869 10 10 CCCE COCCNCc1ccc(N2CC(CO)C2)cc1 2031685481 BQRGSYIEYPAUDR-UHFFFAOYSA-N 250.342 0.851 10 10 CCCE Nc1ccc(OCC(=O)N2CC(CCO)C2)cc1 2034857209 PBNTZRGKVQFFMG-UHFFFAOYSA-N 250.298 0.488 10 10 CCCE CN(C)c1ccc(CNC[C@H]2COC[C@H]2O)cc1 2036567422 HHZSHCOWKQRCQU-GXTWGEPZSA-N 250.342 0.850 10 10 CCCE CN1C(=O)C[C@H](N2CCC[C@H](N=[N+]=[N-])CC2)C1=O 2038005694 WJMFRTSIGAAYPJ-IUCAKERBSA-N 251.290 0.909 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1C[C@H]2CCC[C@@]2(CO)C1 2159402164 UBYDQSWCTLNWCX-YGRLFVJLSA-N 278.308 0.727 10 10 CCCE CC[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)C[C@H]1O 400452323 NUFFPLZRQMSOET-VXNVDRBHSA-N 252.270 0.336 10 10 CCCE CN1CCc2cc(CN3CCC[C@@](O)(CN)C3)ccc21 2157529766 RXUVYWFIIRZOGC-MRXNPFEDSA-N 275.396 0.965 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)[C@@H]2CN[C@@H]3CCOC[C@@H]3C2)C1 2179524137 SVUYXSAZQPCQDN-PJSNJIKXSA-N 280.368 0.267 10 10 CCCE CCCNCc1ccc(N2CC(OC)(C(N)=O)C2)cc1 2161182870 BARHHLYZBWNDDZ-UHFFFAOYSA-N 277.368 0.877 10 10 CCCE CN(C(=O)[C@@H]1CNc2ccccc2N1)[C@H]1COC[C@@H]1O 709341735 BGKPSWHQCSLIJT-AVGNSLFASA-N 277.324 0.111 10 10 CCCE CC(C)(C)CN(CCO)C(=O)c1cc(O)nc(O)c1 690997512 OKWUPDKDURYJIF-UHFFFAOYSA-N 268.313 0.973 10 10 CCCE CN(CCN)CCN(C)C(=O)c1ccc(O)c(O)c1 691342169 GUTLFGPKYOBACP-UHFFFAOYSA-N 267.329 0.060 10 10 CCCE O=C(N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O)C1CSC1 718409849 CXWLABNEOKVMJN-VIFPVBQESA-N 297.332 0.573 10 10 CCCE COc1cccc(CNCCCc2nn[nH]n2)c1O 392614163 LEQWPHRMLAENDY-UHFFFAOYSA-N 263.301 0.636 10 10 CCCE CN1C[C@@H](NCc2c(O)cccc2Cl)C(=O)N1 393903042 QNOIQLNLKHHDAI-SECBINFHSA-N 255.705 0.480 10 10 CCCE O=C(C[C@]1(O)CCOC1)Nc1ccc(O)c(O)c1 2062402756 JFTVORITPPJHRN-GFCCVEGCSA-N 253.254 0.578 10 10 CCCE O=C(O)[C@@H]1C[C@@H]2CN(C(=O)c3cccc(O)c3O)C[C@@H]21 2174296560 IJUMOQWZSKKQLK-QNSHHTMESA-N 277.276 0.891 10 10 CCCE COc1ccc(N2CC[C@@H](CO)[C@H](N)C2)c([N+](=O)[O-])c1 2178910071 HOYHUDXWCJEMFP-GXSJLCMTSA-N 281.312 0.749 10 10 CCCE CN(CCCn1cncn1)C(=O)Cc1ccc(N)cc1 2170117705 SIZPPYPKERITRD-UHFFFAOYSA-N 273.340 0.952 10 10 CCCE CN1CCN(C(=O)COc2ccc(N)cc2)CC12CC2 2188424068 BZNMZNJLXWZKQP-UHFFFAOYSA-N 275.352 0.954 10 10 CCCE CNC(=O)[C@@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)C1 2188874222 FFHSYBQZJXDLNN-SSDOTTSWSA-N 280.280 0.012 10 10 CCCE C[C@H]1CNC[C@]1(C)CNC(=O)c1cc(O)c(O)c(O)c1 2188921118 AUJBJARQOCOJDE-RMLUDKJBSA-N 280.324 0.779 10 10 CCCE Nc1ccc(CC(=O)N2C[C@@H]3C[C@H](C2)[C@@H](O)[C@H]3O)cc1 2182525801 IGHKGDSPOBMHQS-HGSJOUDDSA-N 276.336 0.011 10 10 CCCE CO[C@H]1CCOC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2188913141 PLJFVYWZMHHGAT-KCJUWKMLSA-N 283.280 0.337 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3C[C@@H]4CC[C@@]4(CO)C3)ccc21 2198876848 BPZSBWXVLPCZDM-FGEZKYSXSA-N 273.336 0.847 10 10 CCCE NC[C@]1(F)C[C@H](NC(=O)c2cc(O)nc(O)c2)C1 2042823379 BNRDHRGGRKJTNH-AGGWVSIMSA-N 255.249 0.052 10 10 CCCE N[C@@H]1COCCN(c2ccc3c(c2)OCCO3)C1 2044335723 XODFFLVEWGMVDP-JTQLQIEISA-N 250.298 0.622 10 10 CCCE COC1(C(N)=O)CN(c2c(F)cc([C@H](C)O)cc2F)C1 2194515952 SXLWQGACBWYCHI-ZETCQYMHSA-N 286.278 0.709 10 10 CCCE CC(C)[C@H](CO)NC(=O)c1cc(O)c(O)c(O)c1 1865875603 BDNKTMODMAADRN-QMMMGPOBSA-N 255.270 0.550 10 10 CCCE N[C@@H]1CN(Cc2c(O)cccc2F)CC[C@@H]1CO 2058513426 ORWIITNETCKINX-BXKDBHETSA-N 254.305 0.673 10 10 CCCE C[C@@H](O)[C@@H]1CCN1C(=O)COc1ccc(N)cc1 2061825609 MWKHEGPIDRCIJJ-SKDRFNHKSA-N 250.298 0.629 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@]23CCCNC[C@@H]2C3)cc1 2191693700 GIUSZQNQPXUAIL-GXTWGEPZSA-N 295.408 0.830 10 10 CCCE C[C@H](CNC(=O)Cc1ccc(N)cc1)N1CCNCC1 2192465951 QZEIBWPTHKEKMM-GFCCVEGCSA-N 276.384 0.221 10 10 CCCE Cc1cccc(CNC(=O)CC[C@@H](O)CN)c1O 2084055808 AIOPNRXQMVKTHY-LLVKDONJSA-N 252.314 0.417 10 10 CCCE O=C(NCc1ccccc1O)[C@@H]1CO[C@@H]2CNC[C@@H]21 2104622879 XPQXBQZXPPVXLQ-NQBHXWOUSA-N 262.309 0.243 10 10 CCCE O=C(O)[C@H](NCc1ccc2c(c1)CCO2)C1COC1 2104894361 LBGMTHHQSBHSGL-CYBMUJFWSA-N 263.293 0.811 10 10 CCCE COc1cc(N)c(N2CC(NC(N)=O)C2)cc1OC 2106923810 LQNYQAQILTYHRI-UHFFFAOYSA-N 266.301 0.143 10 10 CCCE COc1ccc(O)c([C@H](C)N[C@@H]2C[C@@H](O)C[C@@H]2O)c1 2108796746 FJTLLQWMBHZOEP-HFGIQWQSSA-N 267.325 0.936 10 10 CCCE NC[C@H]1CCC[C@H](NC(=O)c2cc(O)nc(O)c2)C1 2094696346 VXXZBZKIVCCCAO-WPRPVWTQSA-N 265.313 0.740 10 10 CCCE CO[C@@H]1CN(c2ccc([C@H](C)O)cc2)[C@@H](CO)[C@H]1OC 2233351186 FHVRIJXZZTWPMI-BSLXNSKLSA-N 281.352 0.951 10 10 CCCE Nc1cccc(C(=O)O)c1N[C@@H]1CCC[C@H](O)[C@H]1O 2224295009 WXITWBCBSKVJBB-SCVCMEIPSA-N 266.297 0.653 10 10 CCCE COc1cc(N2CCOC[C@@H](O)C2)cc(OC)c1OC 2235130872 DQZNYDMUCKQJKL-NSHDSACASA-N 283.324 0.910 10 10 CCCE Cn1nnnc1Sc1ncc(C(=N)NO)s1 2246272802 HQOUWTHUXKNSOL-UHFFFAOYSA-N 257.304 0.122 10 10 CCCE O[C@@H]1CN(c2ccc(OCF)cc2)[C@@H](CF)[C@H]1O 2263942366 YHRDLZUPWLJBMX-QJPTWQEYSA-N 259.252 0.872 10 10 CCCE N=C(NO)c1cnc(Sc2nnnn2C2CC2)s1 2264164589 IMFBDCUPSZIMOG-UHFFFAOYSA-N 283.342 0.920 10 10 CCCE Nc1cc2c(cc1N1CC[C@H](O)[C@H](O)CC1)OCCO2 2284559210 XVLVQENULNOQND-TXEJJXNPSA-N 280.324 0.362 10 10 CCCE CS(=O)(=O)[C@H]1CC[C@H](S(=O)(=O)CCN=[N+]=[N-])C1 2302982674 XLYYAQXRTGPWLX-YUMQZZPRSA-N 281.359 0.677 10 10 CCCE [N-]=[N+]=NCCN[C@H](C(N)=O)c1snnc1C1CC1 2314887455 IVKYOXWFWNYBDX-ZETCQYMHSA-N 267.318 0.842 10 10 CCCE [N-]=[N+]=NCCCNC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)O 2333613116 LVHLMIJDZOCHJA-UYXSQOIJSA-N 268.273 0.681 10 10 CCCE C[C@H](c1ccccc1O)N(C)C(=O)CCNCCO 2342658265 VRSVIUXJCIPFPD-LLVKDONJSA-N 266.341 0.884 10 10 CCCE CS(=O)(=O)[C@@H]1CC[C@@H]1NC(=O)c1ccc(O)c(O)c1 2342663412 WBDGVJGRYMBZRS-GZMMTYOYSA-N 285.321 0.403 10 10 CCCE COCC1(O)CC(C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)C1 2343909322 NPEKIVVUMXANQD-BMQDGWLCSA-N 268.317 0.933 10 10 CCCE COc1ccc(N2CC(N(C)C(C)=O)C2)c(CO)c1 2353550102 ZAKKQXXCFANTIU-UHFFFAOYSA-N 264.325 0.854 10 10 CCCE C[C@H](CCN)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 129398439 VCQJBIDWXSNRRA-SCZZXKLOSA-N 296.323 0.195 10 10 CCCE Nc1ccc(OCCC(=O)N2CCN(C=O)CC2)cc1 41429421 MHUNPMWRHSBTRE-UHFFFAOYSA-N 277.324 0.338 10 10 CCCE CCS(=O)(=O)CNC(=O)NCC1(CN=[N+]=[N-])CC1 2218514391 VWSUBMMEWSZZGZ-UHFFFAOYSA-N 275.334 0.768 10 10 CCCE Cc1cccc(CN2CC[C@H](NS(C)(=O)=O)C2)c1O 180333440 AADYJBWVBGEPQE-LBPRGKRZSA-N 284.381 0.824 10 10 CCCE C[C@@H](c1ccc(O)cc1O)N1CCNC(=O)[C@H]1CC(=O)O 251518698 KJFZBZPQLLUFSW-GZMMTYOYSA-N 294.307 0.434 10 10 CCCE O=C(N[C@@H]1C[C@H](C(=O)O)[C@H]2C[C@@H]21)c1cccc(O)c1O 2166185090 PECOVKQMQPNTNE-AATLWQCWSA-N 277.276 0.937 10 10 CCCE COc1cc(N)c(N2CC[C@@H](OCCO)C2)cc1OC 2165422525 NRLIMDDHZACCFG-SNVBAGLBSA-N 282.340 0.874 10 10 CCCE C[C@H](NC(=O)COc1ccc(N)cc1)c1cn(C)nn1 720535034 BRJKLLQJQQATBV-VIFPVBQESA-N 275.312 0.654 10 10 CCCE C[C@]1(C(=O)NCc2ccccc2O)CCCS1(=O)=O 907057790 XYAGXQCDFOJQEH-CYBMUJFWSA-N 283.349 0.976 10 10 CCCE O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1CCCNC1=O 759591537 CGRDVPKKXMUDSX-FVOPLDGLSA-N 277.276 0.933 10 10 CCCE Cc1ccc(O)c(CNC(=O)[C@@H]2COC(=O)N2)c1 862753053 ATPWMHCYAHYHKS-VIFPVBQESA-N 250.254 0.425 10 10 CCCE COc1cc(O)c(CNC(=O)CCN)c(OC)c1 83398128 ZVWBVJZJTPRRGC-UHFFFAOYSA-N 254.286 0.374 10 10 CCCE COC(=O)[C@@H](O)CCNCc1cc(C)ccc1O 83395561 HWSJBHFBORXIJI-LBPRGKRZSA-N 253.298 0.714 10 10 CCCE CN(C)c1ccc([C@@H](N)c2nnc(C3CNC3)o2)cc1 83538892 KDEZVBMOLJGSEE-GFCCVEGCSA-N 273.340 0.871 10 10 CCCE COc1ccc(O)c(CNC[C@](C)(CO)OC)c1 702514105 KXHUROZERPKEMH-CYBMUJFWSA-N 255.314 0.888 10 10 CCCE CN1CCO[C@H](CN(C)C(=O)Cc2ccc(N)cc2)C1 707886217 SAELXKHXEPYNSO-AWEZNQCLSA-N 277.368 0.600 10 10 CCCE C[C@H](CO)CN(C)c1ccc2c(c1)NC(=O)[C@H]2O 688697462 GWOGJQYRQNUMEW-UFBFGSQYSA-N 250.298 0.737 10 10 CCCE COc1ccc(CN(C)[C@H]2COC[C@@H]2C(=O)O)c(O)c1 90425861 JZVYBVKLSWULOQ-RYUDHWBXSA-N 281.308 0.932 10 10 CCCE O=C(NCc1cc(O)ccc1O)c1cnns1 1303223576 VWGUSHHCWUIDJE-UHFFFAOYSA-N 251.267 0.879 10 10 CCCE C[C@@H](O)c1ccc(N2CC(O)(CO)C2)c([N+](=O)[O-])c1 2115311270 VXQPHDWEMWGYBN-MRVPVSSYSA-N 268.269 0.192 10 10 CCCE COc1nc(C(=O)NCc2cc(N)ccc2O)co1 2116174817 MYLBAEZPZUENAP-UHFFFAOYSA-N 263.253 0.901 10 10 CCCE CCN1CC[C@H]1C(=O)NCc1c(O)cccc1O 1178918092 XLDFSJPDYWZPJT-JTQLQIEISA-N 250.298 0.808 10 10 CCCE N[C@@H]1CCc2cc(N3CCN(CCO)CC3)ccc21 2128325403 SFTNSABBPQBWJW-OAHLLOKOSA-N 261.369 0.747 10 10 CCCE C[C@@H]1C[C@H]1NC(=O)C(=O)NCCc1ccc(N)cc1 1331603566 ALOZOVWACWXMLC-BXKDBHETSA-N 261.325 0.452 10 10 CCCE CN(CC(=O)Nc1ccc(N)cc1)C[C@H]1CCN1C 2129886474 HQPPLHHZUCCETA-CYBMUJFWSA-N 262.357 0.843 10 10 CCCE Cn1c(O)nnc1NS(=O)(=O)Cc1ccc(N)cc1 2134814923 PELRUIMFAOPWGT-UHFFFAOYSA-N 283.313 0.045 10 10 CCCE OCc1ccc(N2CC[C@H]3C[C@H]2[C@H](O)[C@@H]3O)c(F)c1 2134821465 TZQOZDUSDRAKKP-WTDIUWLJSA-N 267.300 0.638 10 10 CCCE COc1ccc(N2[C@H]3CC[C@H]2[C@H](O)[C@H](O)C3)c(N)c1 2133920696 SBTOIIGLBHFUOE-IOEYQFCTSA-N 264.325 0.740 10 10 CCCE COC[C@]1([C@H](NCCN=[N+]=[N-])C(=O)O)CCCCO1 1912165912 QAFUVTCBBUINNP-KOLCDFICSA-N 272.305 0.925 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2)C1 1912169061 YWIUMGDSBYQXNT-IUCAKERBSA-N 251.290 0.814 10 10 CCCE CN1CCN(C(=O)c2ccc(O)c(O)c2)C[C@H]1C(N)=S 1914923862 VGXHMULXSBOIHJ-VIFPVBQESA-N 295.364 0.140 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CCC[C@@H]2CNC[C@@H]21 221511616 UOVFUXJXLMHNBM-SCZZXKLOSA-N 263.297 0.317 10 10 CCCE Nc1ccc(OCC(=O)N2C[C@H](O)C23CCC3)cc1 2136752675 ZQINTEBTEFFQBL-LBPRGKRZSA-N 262.309 0.773 10 10 CCCE CN1CCN[C@H](CN(C)c2ccc3c(c2)OCO3)C1 216987952 STYRNTYBKVISBD-NSHDSACASA-N 263.341 0.755 10 10 CCCE CN1C(=O)C[C@H](NC(=O)CCc2ccc(N)cc2)C1=O 116071876 NTCAQOFKGUEJLZ-NSHDSACASA-N 275.308 0.075 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@@]2(CCN2)C1 1923023340 DNPNBEXQKQGDOY-AWEZNQCLSA-N 262.309 0.605 10 10 CCCE O=C(CCN1CCOCC1)NCc1c(O)cccc1O 1558533305 BXNSFJNRBHOSFR-UHFFFAOYSA-N 280.324 0.436 10 10 CCCE Cn1ccc(C(=O)NCc2ccc(O)cc2O)cc1=O 1638351859 GBXHMZKLBFHDPJ-UHFFFAOYSA-N 274.276 0.727 10 10 CCCE CNCc1ccc(N2CC(CC(N)=O)C2)cc1OC 2139701313 BHPMOPDUCPMEPY-UHFFFAOYSA-N 263.341 0.726 10 10 CCCE CC[C@H]1CN(C[C@@H](O)CO)c2cc3c(cc2N1)OCCO3 251671790 HNALELWJZKQJMA-WDEREUQCSA-N 294.351 0.822 10 10 CCCE CNC(=O)CCN(C)C(=O)Nc1ccc(N)cc1 234334018 OLWYSPFLRSEWKV-UHFFFAOYSA-N 250.302 0.869 10 10 CCCE Cn1cc(CN)c(NC(=O)c2cccc(O)c2O)n1 125950831 UNLVWVGSDLSIBT-UHFFFAOYSA-N 262.269 0.542 10 10 CCCE Nc1ccc(OCC(=O)N(C2CC2)C2CNC2)cc1 1876439599 MBCVSGVMFSBVMQ-UHFFFAOYSA-N 261.325 0.610 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1C[C@@H](CO)CO1 1965521625 LNCPNJDWVTWPLL-QWRGUYRKSA-N 281.308 0.154 10 10 CCCE Cc1cccc(CNC[C@H]2CCS(=O)(=O)N2)c1O 1967791636 BVDPAXWROJTGKQ-LLVKDONJSA-N 270.354 0.482 10 10 CCCE CCNC(=O)COC(=O)CCOc1ccc(N)cc1 41100748 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Cc1cc(O)n2ncc(C(=O)N3C[C@H]4C[C@@H]4C3)c2n1 2063444761 WBSCFZIWEQQDNE-RKDXNWHRSA-N 258.281 0.835 10 10 CCCE Cc1cc(O)n2ncc(C(=O)N3CC4CC3(CO)C4)c2n1 2063742937 JAGQHBHQZYYPQC-UHFFFAOYSA-N 288.307 0.340 10 10 CCCE CCN1CC[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)C1=O 2188867838 HRQOSVKRGROUPN-MRVPVSSYSA-N 280.280 0.154 10 10 CCCE N[C@@H]1CCC2(CCC2)N(C(=O)c2cc(O)nc(O)c2)C1 2193433818 AANDBBXSFUVHHQ-SNVBAGLBSA-N 277.324 0.979 10 10 CCCE N[C@@]12CCC[C@@]1(F)CN(C(=O)c1cc(O)nc(O)c1)C2 2198060545 OEBHCBAHHVTJFQ-CHWSQXEVSA-N 281.287 0.538 10 10 CCCE CNC(=O)[C@H]1COCCN1c1ccc2c(c1)CC[C@@H]2N 2184743485 KNQRWNIMRMRHLB-UONOGXRCSA-N 275.352 0.584 10 10 CCCE NC(=O)CO[C@H]1CCN(c2ccc3c(c2)CC[C@H]3O)C1 2184737359 GDRGRNCLPCHPIT-GXTWGEPZSA-N 276.336 0.747 10 10 CCCE NCCN1CCN(Cc2c(O)cccc2F)CC1 2042627974 VEESITGLRAXQNW-UHFFFAOYSA-N 253.321 0.608 10 10 CCCE C[C@H](N[C@@H]1C[C@@H](O)C[C@H]1O)c1c(O)cccc1O 2046491331 XDOHDGGRHAIGCC-FNOROQBZSA-N 253.298 0.633 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC=C[C@H](O)C2)cc1 2046464124 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10 10 CCCE Cc1cc(N2C[C@H]3CS(=O)(=O)C[C@@H]3C2)ccc1CCN 2144168615 GJCLJEDRTXQQRQ-KBPBESRZSA-N 294.420 0.977 10 10 CCCE Oc1c(F)cc2c(c1CN1CCNCC1)OCCO2 258578701 NSVVMROPNVVUJV-UHFFFAOYSA-N 268.288 0.708 10 10 CCCE Nc1ccc(OCCNc2nc[nH]c(=O)c2N)cc1 164287112 OODTZTMKZBHZDN-UHFFFAOYSA-N 261.285 0.425 10 10 CCCE C[C@@H](CC(N)=O)N(C)c1ccc2c(c1)N(C)C(=O)[C@H]2N 2151341259 XCJAKEUAQYYMMP-SDBXPKJASA-N 276.340 0.363 10 10 CCCE CN(C(=O)CN1C[C@H](O)C(F)(F)C1)c1ccc(N)cc1 2152099295 YDBQKNSTOWPDSJ-NSHDSACASA-N 285.294 0.543 10 10 CCCE CCOc1cccc(CNCCCS(N)(=O)=O)c1O 45066622 CQRWUECWQXFHAE-UHFFFAOYSA-N 288.369 0.559 10 10 CCCE N=c1[nH]cc(CNC(=O)c2cc(O)nc(O)c2)s1 2028669723 UPEWOAZJNPZZCA-UHFFFAOYSA-N 266.282 0.292 10 10 CCCE CNCc1ccc(N(C)C2CS(=O)(=O)C2)c(C)c1 2034769560 UAWFWZNRNUAVSL-UHFFFAOYSA-N 268.382 0.948 10 10 CCCE CO[C@@]1(C(=O)NCCOc2ccc(N)cc2)CCOC1 402262200 HMBDEBWTBBUFDW-AWEZNQCLSA-N 280.324 0.569 10 10 CCCE O=C1CCC(=O)N1CCNCc1cc(F)ccc1O 405444778 RURAXBHETICQDY-UHFFFAOYSA-N 266.272 0.770 10 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253.298 0.757 10 10 CCCE O=C1Nc2cc(N3CCO[C@@H](CCO)C3)ccc2[C@H]1O 2172865857 CCOZJAIQVWUWOB-GXFFZTMASA-N 278.308 0.260 10 10 CCCE CNCc1ccc(N2C[C@H]3C[C@@H](O)[C@H](O)[C@H]2C3)c(F)c1 2173319854 JZDFZBMLFNSARZ-JUDXGUMMSA-N 280.343 0.866 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCN(S(=O)(=O)CCOCCF)C1 2317736549 HVPVBYPAPXCTJJ-VIFPVBQESA-N 280.325 0.935 10 10 CCCE CN(Cc1ccccc1O)S(=O)(=O)N1CC[C@@H](CN)C1 2192590530 WUZJTEOHYWZBAH-NSHDSACASA-N 299.396 0.349 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@H]3CCC[C@@]3(N)C2)cc1 2198076498 PJVBODGBOUURCV-TZMCWYRMSA-N 295.408 0.912 10 10 CCCE Nc1ccc(OCC(=O)N[C@@H]2CCN3CC[C@H]2C3)cc1 2192816620 QOZHHKWVYMXSCT-SMDDNHRTSA-N 275.352 0.858 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N3CCOC[C@H]3CF)cc21 2182607409 ZWTFSCBMTAMSHH-MFKMUULPSA-N 279.315 0.838 10 10 CCCE CN(C)C[C@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)C1 2188873867 AWAPCFLPJPXEEH-SECBINFHSA-N 280.324 0.827 10 10 CCCE C[C@H](O)c1ccc(N2C[C@H]3COC[C@@H](C2)[C@H]3O)cc1O 2189043442 LSSQLTAOAKZUNW-ZVXAKGHKSA-N 279.336 0.889 10 10 CCCE CO[C@@H]1COC[C@H]1Nc1c(N)cccc1C(N)=O 2057170167 UTXNMTPVFRGOHJ-NXEZZACHSA-N 251.286 0.193 10 10 CCCE COc1ccc(N2C[C@@H](O)[C@@H](O)C2(C)C)c(N)c1 2060878431 IEBPHVIZPNPUIW-VXGBXAGGSA-N 252.314 0.598 10 10 CCCE C[C@@H]1[C@@H](O)CN1c1cc2c(cc1Cl)[C@@H](O)C(=O)N2 2062248379 XEFTUGRREYXJRW-KLDFYJGESA-N 268.700 0.895 10 10 CCCE Nc1ccc(OCCC(=O)N[C@H]2C[C@H]3CN[C@H]2C3)cc1 2191663719 MCKRQWAOWTVNMF-BPNCWPANSA-N 275.352 0.904 10 10 CCCE C[C@@]1(O)CN(CCc2ccc(N)cc2)CC[C@H]1O 2081716411 ONYBJTHSKLLUSL-ZIAGYGMSSA-N 250.342 0.629 10 10 CCCE O=C(N[C@@H]1C[C@@H]2CNC[C@@H]2C1)c1ccc(O)c(O)c1 2102644747 DBKFOMOSKJFUIL-JGPRNRPPSA-N 262.309 0.826 10 10 CCCE Cc1cccc(CNC(=O)[C@@H]2COCCO2)c1O 2084057442 UNYHOQSRNMAVPS-NSHDSACASA-N 251.282 0.732 10 10 CCCE COc1ccc(N2CC[C@H](OCC(N)=O)C2)c(N)c1 2089135216 KIVUXURIUMWHRA-JTQLQIEISA-N 265.313 0.358 10 10 CCCE NC(=O)[C@H]1CCN1c1cc2c(cc1Cl)[C@@H](O)C(=O)N2 2089368671 JCYDYNLTFYVNGO-PSASIEDQSA-N 281.699 0.390 10 10 CCCE CO[C@@H]1COC[C@@H]1OC(=O)COc1ccc(N)cc1 2090598953 KARFFOZPFWEABX-NEPJUHHUSA-N 267.281 0.605 10 10 CCCE Cc1cc(CN)ccc1N(C)CCS(=O)(=O)N(C)C 2094689723 MSVKGYPXWBIDBN-UHFFFAOYSA-N 285.413 0.781 10 10 CCCE NC[C@@H]1C[C@H](NC(=O)c2cccc(O)c2O)CCO1 2097945480 KVWWCOIOQCOYHQ-BDAKNGLRSA-N 266.297 0.334 10 10 CCCE COC(=O)NS(=O)(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-] 2213592288 RYSGJQMPZXFHAL-RITPCOANSA-N 263.279 0.408 10 10 CCCE CNCc1ccc(N2CCC[C@](O)(CO)C2)cc1OC 2204559022 KBIZYVSCDQORHM-OAHLLOKOSA-N 280.368 0.738 10 10 CCCE Nc1ccc(C[C@H](O)C2=CCS(=O)(=O)CC2)cc1 2217630355 RFBGICGSVPWTJQ-ZDUSSCGKSA-N 267.350 0.917 10 10 CCCE NCCOCCOCCNC(=O)Nc1ccc(N)cc1 2233911711 KYHHRUQNZFBRFZ-UHFFFAOYSA-N 282.344 0.382 10 10 CCCE COc1ccc(N2C[C@@H](O)C[C@H]2CN(C)C)c(CO)c1 2236000722 WTDQFIWSJYZVRO-STQMWFEESA-N 280.368 0.689 10 10 CCCE Cc1cccc(CN=c2[nH]nc3n2CCOC3)c1O 2226694963 USKZXQBUCOEBSN-UHFFFAOYSA-N 260.297 0.856 10 10 CCCE CCOc1ccc(N2CCC[C@](O)(C(N)=O)C2)cc1 2226745102 ILYWCGTUXWKRKD-CQSZACIVSA-N 264.325 0.902 10 10 CCCE COC[C@@H]1[C@H](O)[C@H](O)CN1c1ccc([C@@H](C)N)cc1C 2240839127 BWSDXGZQEGHISX-QZKOUSHUSA-N 280.368 0.572 10 10 CCCE O[C@H](c1ccc(N2CCNCC2)cc1)c1ncc[nH]1 2270550914 LIAIOKYVORDAKX-CYBMUJFWSA-N 258.325 0.901 10 10 CCCE Cc1cc(N2CCOC[C@@H]2[C@@H](O)CO)ccc1[C@H](C)N 2285129962 DPNGMYLDRDKDDS-GLQYFDAESA-N 280.368 0.573 10 10 CCCE Cc1cc([C@H](C)O)ccc1N1C[C@H](O)[C@H](O)[C@@H](CO)C1 2289357308 FUFYXRHQMGHPPW-MMMKDXCPSA-N 281.352 0.199 10 10 CCCE CC1CCC([C@@H](N)COc2nnc(=N)[nH]n2)CC1 2326791235 UNKXWEBKLNJPPO-HACHORDNSA-N 252.322 0.212 10 10 CCCE COCCNC(=O)[C@H](C)OCc1ccc(N)cc1 20391126 DAJXOHFAERRXHA-JTQLQIEISA-N 252.314 0.937 10 10 CCCE N[C@H]1CCc2cc(N3CC[C@@H]4C[C@H]3[C@@H](O)[C@@H]4O)ccc21 2357596105 BTKLXMNNEBZPCA-NVAJDRRBSA-N 274.364 0.953 10 10 CCCE C[C@@H](C(=O)Nc1ccc(N)cc1)N(C)CC(N)=O 37268199 HBGQJMSGFIGAMS-QMMMGPOBSA-N 250.302 0.013 10 10 CCCE C[C@H]1CCN(C(=O)c2cccc(O)c2O)C[C@@H]1N 126678556 AQCODLLGXYQOQS-WPRPVWTQSA-N 250.298 0.907 10 10 CCCE C[C@H](N)[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)C1 126957605 UIDSWWNNWYUZAJ-JGVFFNPUSA-N 251.286 0.302 10 10 CCCE O=C(O)C1(c2cc(O)c(O)c(O)c2)CCNCC1 1952082222 YITLOYMUXYDSNM-UHFFFAOYSA-N 253.254 0.509 10 10 CCCE COc1ccc(N2[C@@H](C)CN(C)C(=O)[C@@H]2CO)cc1 217094054 FRCYJCGTXAHQDE-GWCFXTLKSA-N 264.325 0.723 10 10 CCCE O=C(Nc1ccc(O)cc1C(=O)O)c1cc(=O)[nH]c(O)n1 48847034 RTKJSUZQNZBHCV-UHFFFAOYSA-N 291.219 0.132 10 10 CCCE CNC(=O)[C@@H]1COCCN1CCc1ccc(N)cc1 130154761 CBGRVQUEJRGZBL-ZDUSSCGKSA-N 263.341 0.258 10 10 CCCE N[C@H](c1c(O)cccc1Br)[C@H](O)C(=O)O 1952191626 VQQOJGIBBWLDEJ-SFYZADRCSA-N 276.086 0.600 10 10 CCCE COc1cccc(CN2CCCN(CC(=O)O)CC2)c1O 86760619 LZHGJKLMHNCRIT-UHFFFAOYSA-N 294.351 0.993 10 10 CCCE COC[C@H](O)CN(C)Cc1ccc(OC)cc1O 92256873 LZCHUNKNKZVEFV-LLVKDONJSA-N 255.314 0.840 10 10 CCCE CN(C[C@H]1CCCN1)C(=O)c1ccc(O)c(O)c1 234323500 NYYNGMAGJHSTMH-SNVBAGLBSA-N 250.298 0.922 10 10 CCCE COc1cc2c(c(OC)c1)N(C)CCN(CCN)C2 527432256 XFBGQSFCMGQISZ-UHFFFAOYSA-N 265.357 0.914 10 10 CCCE C=CC(=O)NCCC(=O)NCc1cccc(OC)c1O 269708070 QXZMFWLJHSOKDQ-UHFFFAOYSA-N 278.308 0.709 10 10 CCCE CCC(CC)[C@@H](C(=O)OCC(=O)C(C)=O)N1CCOCC1 808522942 HQDWPGYWHFUHKW-AWEZNQCLSA-N 299.367 0.825 10 10 CCCE COc1cccc(CNC(=O)[C@]2(C)C[C@H](O)CN2C)c1O 901128341 XLWZTYBGPUTTKK-NHYWBVRUSA-N 294.351 0.472 10 10 CCCE CN1CC[C@H](OCC(=O)N(C)c2ccc(N)cc2)C1 1893457702 GYNOFKFLXVPTII-ZDUSSCGKSA-N 263.341 0.952 10 10 CCCE CN(C)C(=O)C1(C(=O)NCCc2ccc(N)cc2)CC1 832658793 CHDWTBSSXUOGJZ-UHFFFAOYSA-N 275.352 0.796 10 10 CCCE CC(=O)C(=O)COC(=O)[C@@H]1CCO[C@H]1c1ccncc1 845260838 FYSGVWJZHXMYBZ-YPMHNXCESA-N 277.276 0.861 10 10 CCCE COC(=O)[C@]1(c2ccc(O)c(CN(C)C)c2)C[C@H]1N 1952905603 GIUNTBIWBWRNQM-OCCSQVGLSA-N 264.325 0.596 10 10 CCCE CO[C@H]1CS(=O)(=O)C[C@@H]1Nc1ccccc1N 696847390 CDNGYVLVAHPSIR-QWRGUYRKSA-N 256.327 0.493 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC[C@H]1CC12CC2 697487243 NNCOJPBFGXDXKS-MNOVXSKESA-N 276.336 0.884 10 10 CCCE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCN=[N+]=[N-] 1882297890 KADCROYXBPBHKO-MRVPVSSYSA-N 287.320 0.953 10 10 CCCE Cc1cccc(CN2CCC[C@@H]2CS(N)(=O)=O)c1O 775697333 ZMOWSJQABVEWSZ-GFCCVEGCSA-N 284.381 0.954 10 10 CCCE N[C@H](CO)C(=O)NCc1c(O)ccc2ccccc12 83439647 PXXYAXORRDZBSM-GFCCVEGCSA-N 260.293 0.481 10 10 CCCE COc1ccc2c(c1O)[C@@H](C1=NNC(=O)CC1)NCC2 83708441 NQCKNKLVPURXKM-CYBMUJFWSA-N 275.308 0.854 10 10 CCCE CN(CC(=O)Nc1ccc(N)cc1)CC(C)(CO)CO 708410892 RHOPENNHJSTNMY-UHFFFAOYSA-N 281.356 0.130 10 10 CCCE COC[C@@H](ON)C(=O)NCc1ccc(N(C)C)cc1 710466154 CJLJIOUYPLKZKL-GFCCVEGCSA-N 267.329 0.274 10 10 CCCE COc1ccc(CNCC2(S(N)(=O)=O)CC2)cc1C 713939091 CNWKOQVDGZGWBQ-UHFFFAOYSA-N 284.381 0.914 10 10 CCCE [N-]=[N+]=NCCN[C@]1(C(=O)O)C2CCN(CC2)C12CC2 716062323 XFTJBWFEPDUKCJ-LBPRGKRZSA-N 265.317 0.968 10 10 CCCE CN(C)C[C@H](CO)N[C@@H]1CCc2cccc(O)c21 716698118 CFWIDYKHYMPIKA-VXGBXAGGSA-N 250.342 0.892 10 10 CCCE Cc1nn(CCCOc2ccc(N)cc2)c(=O)n1C 691686317 RSYPQUXCLAMHJP-UHFFFAOYSA-N 262.313 0.942 10 10 CCCE COCC[C@]1(NC(=O)Cc2ccc(O)c(O)c2)CCOC1 1155797652 IRIJHERYNUETHJ-HNNXBMFYSA-N 295.335 0.952 10 10 CCCE C[C@H](NC(=O)CCCS(N)(=O)=O)c1ccccc1O 1151900980 YRMGHPXAAQNPFX-VIFPVBQESA-N 286.353 0.638 10 10 CCCE COc1cccc(O)c1CN[C@H]1CCO[C@H]1C(N)=O 2117460632 RJILGAQRGATTKB-JOYOIKCWSA-N 266.297 0.133 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3C[C@@H](F)[C@H](CO)C3)ccc21 2120619708 GERMXBIICZAHEY-KOLSJAJHSA-N 265.288 0.405 10 10 CCCE CCOc1cccc(CNC2([C@H](O)CO)CC2)c1O 2133593433 CBLICQFKIPXDAM-GFCCVEGCSA-N 267.325 0.766 10 10 CCCE CC[C@H](C)[C@@H](NC(N)=O)C(=O)N(C)CCN=[N+]=[N-] 1912165280 IVKDSKCUJPSDLP-JGVFFNPUSA-N 256.310 0.838 10 10 CCCE CN(CC1(CO)CC1)C(=O)c1ccc(O)c(O)c1 1915544431 BSRBPXCYRQXKDK-UHFFFAOYSA-N 251.282 0.942 10 10 CCCE CN1CC[C@@H](C(=O)NCc2cccc(O)c2O)C1 1521851660 PDHVCXBRJIAMEO-SNVBAGLBSA-N 250.298 0.666 10 10 CCCE CNC(=O)[C@@H](C)N(C)Cc1cc2c(cc1O)OCO2 1916804174 UHQJVNBXILNILB-MRVPVSSYSA-N 266.297 0.687 10 10 CCCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1cnn[nH]1 1296247881 YVWXKXIMQMWLSX-VIFPVBQESA-N 290.323 0.896 10 10 CCCE O=C(N[C@@H]1CCC[C@@]12CCNC2)c1cc(O)nc(O)c1 1918905819 XRHNIXZIBBFMJZ-YGRLFVJLSA-N 277.324 0.755 10 10 CCCE CN(C)c1noc(CNC(=O)Cc2ccc(O)c(O)c2)n1 1617195775 IAUTZRZMHCXMCS-UHFFFAOYSA-N 292.295 0.406 10 10 CCCE O=C1Nc2cc(N3C[C@@H](O)C34CCC4)ccc2[C@H]1O 2136749328 HEUUAWWLNIGEQR-VXGBXAGGSA-N 260.293 0.776 10 10 CCCE CC[C@](C)(NC(=O)/C=C/c1ccc(O)c(O)c1)C(N)=O 1558592410 YWBUEKANLQDPAM-DYLGSBMWSA-N 278.308 0.881 10 10 CCCE CCNCc1ccc(N2CC[C@H]2C(N)=O)cc1OC 2139691423 UAKDTTQLUOSZRJ-LBPRGKRZSA-N 263.341 0.869 10 10 CCCE C[C@@H]1CO[C@H](CO)CN1C[C@H](O)COc1ccc(N)cc1 167047889 CVHGDXICAXCGJP-ZLDLUXBVSA-N 296.367 0.090 10 10 CCCE Nc1ccc(CC(=O)NCCCC[C@@H](N)C(=O)O)cc1 1865955276 JFYNUFPXZJGZHC-GFCCVEGCSA-N 279.340 0.510 10 10 CCCE COC[C@@H](O)CN(C)c1ccc([N+](=O)[O-])c(CO)c1 234698593 XXVBIZIMQVMADH-NSHDSACASA-N 270.285 0.531 10 10 CCCE CS(=O)(=O)[C@@H]1COC[C@@H]1NCc1c(O)cccc1F 2142474229 HPFDBFXEKWTDGW-CMPLNLGQSA-N 289.328 0.433 10 10 CCCE O=C(N[C@H]1CNC[C@@H]1C(F)F)c1ccc(O)c(O)c1 1878726330 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CN[C@@H](C)[C@@H]1CCCN1C(=O)c1cc(O)nc(O)c1 2092977551 JJUJCYUTIIKEOK-WPRPVWTQSA-N 265.313 0.705 10 10 CCCE CS(=O)(=O)C1CN(c2ccc([N+](=O)[O-])c(CO)c2)C1 2095962221 BSSQTFPQBPNBRX-UHFFFAOYSA-N 286.309 0.320 10 10 CCCE C[C@H](C(=O)Nc1ccc(N)cc1)N1CC(CCO)C1 2095989564 UGISMKGMTHKGRX-SNVBAGLBSA-N 263.341 0.910 10 10 CCCE CN(C(=O)c1cccc(O)c1O)[C@]1(CN)CCOC1 2098953583 GFQCPVILQIALMZ-ZDUSSCGKSA-N 266.297 0.288 10 10 CCCE C[C@@H](c1ccc(O)cc1O)N1CC[C@](CO)(C(=O)O)C1 2201089979 VPRXQKUJDKGTCC-XPTSAGLGSA-N 281.308 0.928 10 10 CCCE CNCc1ccc(N2C[C@@H](CO)C[C@@H]2CO)cc1OC 2204552354 AKLGSOGISGDEJH-SMDDNHRTSA-N 280.368 0.594 10 10 CCCE [N-]=[N+]=N[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCC(=O)NC1 2218742653 GZZBFSZTHFCXJX-DJLDLDEBSA-N 251.290 0.860 10 10 CCCE CN(C(=O)c1ccc(O)c(O)c1)[C@@H]1CNCC12CC2 2271410174 VPFIFDNEFQZHPH-GFCCVEGCSA-N 262.309 0.922 10 10 CCCE Cn1cccc(NC(=O)COc2ccc(N)cc2)c1=O 2233015618 IADFIYXYNVCKNL-UHFFFAOYSA-N 273.292 0.985 10 10 CCCE CN(C)c1ccc(CN2C[C@@H]3CN[C@H](CO)[C@H]3C2)cc1 2235567976 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NCc1ccc(N2CC([C@@H](O)CO)C2)c(F)c1F 2315270414 OBDFGDURRAMMQJ-JTQLQIEISA-N 258.268 0.213 10 10 CCCE CSc1cc(N2CC[C@@H]2[C@H](O)CO)ccc1CN 2328543004 IMWHGOBBNGVHEW-VXGBXAGGSA-N 268.382 0.799 10 10 CCCE O=C(CC1CNC1)N1CCc2cc(O)c(O)cc2C1 2341193310 BPRMWPNTMZHBMM-UHFFFAOYSA-N 262.309 0.592 10 10 CCCE COc1ccc(N2C[C@@H]3C[C@H]2[C@H](O)[C@H]3O)c([N+](=O)[O-])c1 2354478830 SGYFTYNQUXANDZ-VFFVRTRHSA-N 280.280 0.534 10 10 CCCE N[C@@H]1[C@H]2CC[C@H]3[C@@H](C2)[C@]31C(=O)C(=O)C[C@H]1C[C@H](N)C1 1891636215 HWEKOHZLAVFQDF-WRAXKGGHSA-N 262.353 0.625 10 10 CCCE Cc1cc(N(C)C)ccc1CNC(=O)CNC(N)=O 115726017 YCGIWIXLZBRLIF-UHFFFAOYSA-N 264.329 0.346 10 10 CCCE CNC(=O)NC(=O)[C@@H](C)NCc1ccccc1O 228414171 XYXVCMUTJLGXFY-MRVPVSSYSA-N 251.286 0.326 10 10 CCCE CN(CCNC(=O)c1ccc(O)c(O)c1)C1CC1 227022341 ALRUDWALVOWQCT-UHFFFAOYSA-N 250.298 0.922 10 10 CCCE NCc1ccc(N2CC(C(N)=O)C2)cc1Br 381880823 GNMWMOANFRZFLH-UHFFFAOYSA-N 284.157 0.829 10 10 CCCE CC[C@H](O)CCNS(=O)(=O)Cc1ccc(N)cc1 135012509 OTHHNLBNSUNMPT-LBPRGKRZSA-N 272.370 0.849 10 10 CCCE CCCN(CCO)C[C@H](O)COc1ccc(N)cc1 48917779 HWYAURXDSOPCLA-ZDUSSCGKSA-N 268.357 0.713 10 10 CCCE CC(=O)C(=O)COC(=O)CCOc1ccc(C=O)cc1 808504564 HNQOBDWUOGGVTC-UHFFFAOYSA-N 278.260 0.969 10 10 CCCE CN1CCc2cc([C@@H](NN)[C@H]3COCCN3C)ccc21 2163140736 MUUHCWBJBQUFGD-HUUCEWRRSA-N 276.384 0.514 10 10 CCCE O=[N+]([O-])c1ccc(N2CC[C@H](OCCO)C2)cc1CO 2165337191 CMMICCLYPVQZAD-LBPRGKRZSA-N 282.296 0.675 10 10 CCCE NC(=O)NCC1CN(c2ccc3c(c2)CC[C@@H]3N)C1 2130741881 HMABKWBKCNAOCD-ZDUSSCGKSA-N 260.341 0.737 10 10 CCCE CNC(=O)[C@@H]1COCCN1c1ccc([C@@H](C)NC)cc1 723182108 HUNJUEPKOMMGJU-RISCZKNCSA-N 277.368 0.918 10 10 CCCE C[C@H]1CN(C(=O)c2cc(O)cs2)CCS1(=O)=O 738542973 DFTRQTOEDOFYMZ-ZETCQYMHSA-N 275.351 0.713 10 10 CCCE Nc1ccc(NC(=O)C(=O)N2C[C@H]3[C@H](C2)C3(F)F)cc1 846324512 CCBIOFGBTGUOKQ-UWVGGRQHSA-N 281.262 0.931 10 10 CCCE CO[C@H]1CS(=O)(=O)C[C@H]1N(C)Cc1ccccc1O 697038158 RRDNXRCSAIQJMM-YPMHNXCESA-N 285.365 0.636 10 10 CCCE COc1nn(C)cc1CNC(=O)Cc1ccc(N)cc1 1341411339 XEWPPXMKNBQQSV-UHFFFAOYSA-N 274.324 0.870 10 10 CCCE O=C1OC[C@@]2(CNCc3ccccc3O)COCCN12 865770601 SVLGIBPCZQBITF-CQSZACIVSA-N 278.308 0.703 10 10 CCCE Cc1cccc([C@@H](N)c2nnc(-c3nc[nH]n3)o2)c1O 83535106 XSCJKMKYRUGZDJ-MRVPVSSYSA-N 272.268 0.917 10 10 CCCE CC(C)OC(=O)NS(=O)(=O)NCCN=[N+]=[N-] 168616508 KXGARUCRTGXDDW-UHFFFAOYSA-N 251.268 0.266 10 10 CCCE C[C@@H](C(=O)Nc1ccc(N)cc1)N(C)[C@H](C)C(N)=O 711114916 TUVLSNFLHVDSPU-BDAKNGLRSA-N 264.329 0.401 10 10 CCCE NC(=O)C[C@H]1CCN(CC(=O)c2ccc(O)c(O)c2)C1 690801974 AFPJNCOCZMZLIP-SECBINFHSA-N 278.308 0.478 10 10 CCCE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](O)C(C)(C)O 1140198580 JUNBQUIQWANKJB-LBPRGKRZSA-N 288.340 0.626 10 10 CCCE CO[C@@H]1CS(=O)(=O)C[C@H]1N(C)c1ccc([C@H](C)O)cc1 696824620 RSSOHVPKHBQJHT-ZLKJLUDKSA-N 299.392 0.988 10 10 CCCE O=C1Nc2cc(N3C[C@H](O)C[C@@H]3CO)c(Cl)cc2[C@H]1O 698137859 MKRSMPYZNGZWFO-NQYJQULFSA-N 298.726 0.257 10 10 CCCE CN(c1cc2c(cc1N)OCC(=O)N2)[C@H]1C[C@H](O)C1 2122884829 VHCAMSDXMSOMAX-ZKCHVHJHSA-N 263.297 0.559 10 10 CCCE CN(C[C@@H](O)C(C)(C)C)C(=O)c1cc(O)nc(O)c1 2123490261 ZEOALMSGAGNIGP-SECBINFHSA-N 268.313 0.972 10 10 CCCE Nc1ccc(CCN2C[C@@H]3C[C@H](C2)[C@H](O)[C@H]3O)cc1 2126154580 VTTYHGXGKDIDTJ-NEBZKDRISA-N 262.353 0.485 10 10 CCCE Cc1cc(N2C[C@@H]3C[C@H](C2)[C@H](O)[C@@H]3O)ccc1CN 2126157397 RBYNSBOKAJYADR-IKARSPCKSA-N 262.353 0.632 10 10 CCCE C[C@H](N)c1ccc(N2CC3(C2)OC[C@@H](O)[C@H]3O)cc1 2127257905 JWJZWGDOQQYNOP-ZWKOPEQDSA-N 264.325 0.017 10 10 CCCE CN[C@H]1CCc2cc(N3CC(NC(N)=O)C3)ccc21 2128298982 SBZPJJANRKVPDJ-ZDUSSCGKSA-N 260.341 0.750 10 10 CCCE CC(C)C[C@H](N)CNC(=O)c1cc(O)c(O)c(O)c1 2132408318 VWCJLWYLWSRNEQ-VIFPVBQESA-N 268.313 0.907 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC[C@H](O)[C@@H]2CC[C@@H]21 2133717974 CVCUBNRSPOKQKI-UTLUCORTSA-N 264.281 0.478 10 10 CCCE [N-]=[N+]=N[C@H]1CCCN(C(=O)CN2CCOCC2)C1 1912151074 CCKGFSLNBXLRQW-JTQLQIEISA-N 253.306 0.620 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN1C(=O)CCn1cnnn1 1912193525 OTWJCMIOSSVPEK-MRVPVSSYSA-N 250.266 0.365 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N(C)C3CC(O)C3)ccc21 1914595344 AFSLQCAPYLOPRC-ZPPKWKGLSA-N 261.325 0.859 10 10 CCCE CNc1nnc(CC(=O)NCc2ccc(O)cc2O)s1 1299574394 QJBYDXMTCIINRM-UHFFFAOYSA-N 294.336 0.850 10 10 CCCE CN(c1cc2c(cc1N)OCCO2)[C@@H]1CCNC1=O 1916211924 KVIUNFVQMXQNAP-SECBINFHSA-N 263.297 0.365 10 10 CCCE O=C(C1CC1)N1CC(NCc2ccc(O)c(O)c2O)C1 1926290254 LEJCGEUPGNTAAI-UHFFFAOYSA-N 278.308 0.514 10 10 CCCE CC1(NC(=O)c2cc(O)nc(O)c2)CCNCC1 229622324 VOCPEBKQTSIKHE-UHFFFAOYSA-N 251.286 0.365 10 10 CCCE COc1cc(Cl)cc(CNCCOCC(N)=O)c1O 230050673 CFKOQINGVUKZMG-UHFFFAOYSA-N 288.731 0.646 10 10 CCCE NCCc1nnc(NC(=O)c2ccc(O)c(O)c2)o1 2138810708 SRSQRBRMARRZGU-UHFFFAOYSA-N 264.241 0.234 10 10 CCCE O=C(O)[C@H]1CCCN(C(=O)c2cc(O)nc(O)c2)C1 19487228 MBBKAZXGDZZJCT-ZETCQYMHSA-N 266.253 0.430 10 10 CCCE COC[C@H](NC(=O)/C=C/c1ccc(N(C)C)cc1)C(=O)O 158391860 FFOIHSQUWGCHTG-PPGNKHEKSA-N 292.335 0.982 10 10 CCCE Cc1cccc(CNC(=O)[C@@]2(C)CNCCO2)c1O 2139743725 NYFHQZGFTZMNOB-CQSZACIVSA-N 264.325 0.695 10 10 CCCE O=C(O)[C@H]1[C@H]2[C@@H]1OCCN2Cc1ccc(F)cc1O 2139771192 VSUNZXFWUMNWJK-SDDRHHMPSA-N 267.256 0.815 10 10 CCCE COC(=O)[C@@H]1COCCN1C(=O)c1cccc(O)c1O 126542271 LLKXFCMSSHPXQK-VIFPVBQESA-N 281.264 0.112 10 10 CCCE CN(C)c1ccc(CNC(=O)C2(CN)CC(O)C2)cc1 1121982358 SCBHZASVASQWIR-UHFFFAOYSA-N 277.368 0.469 10 10 CCCE Nc1ccc(CCNC(=O)C2=NNC(=O)CC2)cc1 236351874 NHKZPMGKPILLPX-UHFFFAOYSA-N 260.297 0.194 10 10 CCCE Cn1nnc(COc2ccc(N3CCNCC3)cc2)n1 236151860 XPKRGLGOQAQOHI-UHFFFAOYSA-N 274.328 0.199 10 10 CCCE COC(=O)C(C)(C)CS(=O)(=O)NCCN=[N+]=[N-] 1964001653 DXAPSJTYGVYPJI-UHFFFAOYSA-N 264.307 0.415 10 10 CCCE C[C@](O)(CCO)CNCc1ccc2c(c1)CCO2 1966085238 QERRLOYMBZBGJV-AWEZNQCLSA-N 251.326 0.845 10 10 CCCE CN(C)c1ccc(CNC(=O)[C@H]2[C@@H]3OCCN[C@@H]32)cc1 1966787815 YYJNKQZERWOQKS-MCIONIFRSA-N 275.352 0.356 10 10 CCCE CC1([C@H](N)C(=O)NCCc2ccc(O)c(O)c2)CC1 1968739738 VYGGYBACKCQVRQ-GFCCVEGCSA-N 264.325 0.884 10 10 CCCE C[C@@H]1C[C@H](N)CCN1C(=O)Cc1ccc(O)c(O)c1 1970905424 ZLAUKIVZWVATND-MWLCHTKSSA-N 264.325 0.979 10 10 CCCE O=C(O)C[C@@H]1COCC(=O)N1Cc1ccccc1O 257924636 BACYSJBFHKMHJP-SNVBAGLBSA-N 265.265 0.594 10 10 CCCE O=C(NC[C@H]1CCCS(=O)(=O)C1)c1ccc(O)c(O)c1 2146118770 OOQUTALKSXGNCM-SECBINFHSA-N 299.348 0.652 10 10 CCCE O=C(NC[C@@H]1C[C@H]2OCC[C@H]2N1)c1cccc(O)c1O 2146639339 SVHMGWGQAXXVOQ-MKPLZMMCSA-N 278.308 0.347 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC1[C@H]2CCC[C@H]12 2150178859 HFENLQOJXBATIJ-DCAQKATOSA-N 276.336 0.882 10 10 CCCE CN1C[C@H](O)[C@@H](Oc2ccc(N3CCNCC3)cc2)C1 2156908231 NOGLCKFFESSBDG-GJZGRUSLSA-N 277.368 0.150 10 10 CCCE CN1CCO[C@@H]2CN(c3c(F)cc(CN)cc3F)C[C@H]21 2153991451 QIAIIUVOUKMWSI-CHWSQXEVSA-N 283.322 0.943 10 10 CCCE O=C1Nc2cc(N3CC[C@@H]3CO)c(Cl)cc2[C@H]1O 2031674303 BJNIEQRQNLSSHO-KSBSHMNSSA-N 268.700 0.897 10 10 CCCE C[C@H](NC[C@H]1COC[C@@H]1O)c1c(O)cccc1O 2036566858 CJYAHVGQFROYTP-AUTRQRHGSA-N 253.298 0.756 10 10 CCCE C[C@@H]1C[C@@H](NS(=O)(=O)Cc2ccc(N)cc2)CO1 402068943 YATBBVSLMASDRA-BXKDBHETSA-N 270.354 0.866 10 10 CCCE Nc1ccc(O)c(CN2CC[C@@H]3C(=O)NC(=O)[C@@H]3C2)c1 2158781097 QAXJRRMAVTVVIF-WDEREUQCSA-N 275.308 0.069 10 10 CCCE NCc1ccc(N2CCOC[C@@H]2CCO)c(F)c1 702172275 XQGMXPAKCCSNAC-NSHDSACASA-N 254.305 0.872 10 10 CCCE CN(C)c1ccc(CN2C(=O)NC(=O)[C@H](F)C2=O)cc1 2160464255 YNJULNOMOALOPJ-JTQLQIEISA-N 279.271 0.669 10 10 CCCE Nc1ccc(CC(=O)N2C[C@H](O)[C@H](CC(=O)O)C2)cc1 2174347070 HCFUFXXZTYDCRU-PWSUYJOCSA-N 278.308 0.105 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCN(C[C@@H](O)CN2CCCCC2=O)C1 2169774413 ITTGPFDBHBFEBJ-NWDGAFQWSA-N 281.360 0.992 10 10 CCCE CNC(=O)CC1CN(CC(=O)c2ccc(O)c(O)c2)C1 382466559 DFYOONMICAXQFT-UHFFFAOYSA-N 278.308 0.348 10 10 CCCE Nc1ccc(CC(=O)NC[C@H]2CCO[C@H]2C(=O)O)cc1 715519489 REEZZPDHEOYWGG-ZWNOBZJWSA-N 278.308 0.417 10 10 CCCE Cc1cc(O)n2ncc(C(=O)NCC3(C)COC3)c2n1 2065050974 XHCXJDSSGLOYIT-UHFFFAOYSA-N 276.296 0.510 10 10 CCCE [N-]=[N+]=NCCN[C@H](C(N)=O)c1cccc2c1OCCO2 2177748915 GFOXWNRPMHAXES-JTQLQIEISA-N 277.284 0.884 10 10 CCCE C[C@H]1CNCCN(c2cc3c(cc2N)OCC(=O)N3)C1 2191898714 ZZLYBLIGTMMOGE-VIFPVBQESA-N 276.340 0.645 10 10 CCCE O=C(N[C@@H]1CC(=O)N2CCC[C@@H]12)c1ccc(O)c(O)c1 2188493754 IQLMJKUBKVZQKL-ZJUUUORDSA-N 276.292 0.591 10 10 CCCE CN(C(=O)c1cc(O)c(O)c(O)c1)[C@H]1C[C@@H](C(=O)O)C1 2188868264 ODMILXSAYKEFRO-OCAPTIKFSA-N 281.264 0.739 10 10 CCCE CC(C)[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)C(=N)NO 2188915844 LLHAXPUJYHLSPR-SECBINFHSA-N 283.284 0.514 10 10 CCCE NCC1(O)CN(c2ccc3c(c2)OC(F)(F)O3)C1 2044305250 PQIRPORSMFPBTN-UHFFFAOYSA-N 258.224 0.518 10 10 CCCE NCC[C@H]1C[C@@H](NC(=O)c2cccc(O)c2O)C1 2053098078 FKDDAQYFJKNDIZ-DTORHVGOSA-N 250.298 0.955 10 10 CCCE COC(=O)[C@H](O)CN(C)[C@@H](C)c1ccccc1O 2072464266 ZLSWIEKJXSPGQB-JOYOIKCWSA-N 253.298 0.919 10 10 CCCE COc1cc(N2CC(OC)(OC)C2)ccc1CN 2072758363 SEOYLJADADYILK-UHFFFAOYSA-N 252.314 0.963 10 10 CCCE Nc1ccc(CCCN2C[C@H](O)[C@H]3COC[C@H]32)cc1 2102183468 FANYUOZRFWKHAB-ZNMIVQPWSA-N 262.353 0.893 10 10 CCCE NCC1(F)CC(NC(=O)Cc2ccc(O)c(O)c2)C1 2104738348 GUUSXIFSAIUSSE-UHFFFAOYSA-N 268.288 0.586 10 10 CCCE CNC(=O)OCCCNC(=O)c1cccc(O)c1O 2104888112 GKPBIBZPXQUYEG-UHFFFAOYSA-N 268.269 0.574 10 10 CCCE CS[C@H]1CNC[C@H]1NC(=O)Cc1ccc(N)cc1 2084783126 KRGQBBLPXGTWCT-NEPJUHHUSA-N 265.382 0.631 10 10 CCCE CN1CCc2cc(N3CCC(O)(CN)CC3)ccc21 2106795697 JQRYSCXWVGRSLZ-UHFFFAOYSA-N 261.369 0.969 10 10 CCCE COc1cnc[nH]c1=NCCc1ccc(O)c(O)c1 2091752579 NSWBGZQIILPSMF-UHFFFAOYSA-N 261.281 0.973 10 10 CCCE COC[C@@H](N)CC(=O)NCCc1ccc(O)c(O)c1 2092795763 XPQBLZMXRGLIAU-JTQLQIEISA-N 268.313 0.120 10 10 CCCE CN(CCCOc1ccc(N)cc1)CC(CO)CO 2094029418 ROXVKVQQQHOVNM-UHFFFAOYSA-N 268.357 0.570 10 10 CCCE COc1ccc(N(C)CCNC(C)=O)c(CO)c1 2220425611 ARMIYCDMAGMGDK-UHFFFAOYSA-N 252.314 0.760 10 10 CCCE C[C@H](N)c1ccc(N2CC[C@](O)(CO)[C@H](O)C2)c(F)c1 2234098752 WKKIUVVELZBGPY-FZZIBODNSA-N 284.331 0.140 10 10 CCCE COc1cc(N2CCO[C@H](CO)C2)cc(OC)c1OC 2235133821 KDMJWHDHCUVSNY-NSHDSACASA-N 283.324 0.910 10 10 CCCE CCCOc1ccc(N2C[C@H](O)[C@H](O)[C@H]2CO)cc1 2226763515 BCXSWOFKHOWGMH-HZSPNIEDSA-N 267.325 0.378 10 10 CCCE NC(=O)C1(N2CCN(c3ccc(N)cc3)CC2)CC1 2228636170 YNQZZIWKMHVALG-UHFFFAOYSA-N 260.341 0.409 10 10 CCCE COc1ccc(N2CC[C@@](O)(CO)C2)c(OC)c1C 2277995301 YYWGSPWGOCTBPK-AWEZNQCLSA-N 267.325 0.946 10 10 CCCE N[C@H]1[C@H]2C[C@@H](CN(Cc3ccc(O)cc3O)C2)[C@@H]1CO 2239334703 WCQMNYGDAGUOLS-UHXUCMFUSA-N 278.352 0.485 10 10 CCCE O=C1C[C@H]2COC[C@@H](C1)N2C(=O)c1ccc(O)c(O)c1 2285758165 KFEDXOQOLLWFGC-AOOOYVTPSA-N 277.276 0.670 10 10 CCCE CCNCc1ccc(N2CC[C@@H]2[C@@H](O)CO)cc1 2258347091 VZXHUZPYPSBAIX-KGLIPLIRSA-N 250.342 0.728 10 10 CCCE COc1ccc(O)c(CN(CCN)CCN(C)C)c1 2265835645 HHOOSVALFVGNOH-UHFFFAOYSA-N 267.373 0.723 10 10 CCCE Cc1cccc(CNC(=O)[C@]23C[C@](N)(C2)[C@H](C)O3)c1O 2280663920 REXVLMCMMWOMEM-LKTVYLICSA-N 276.336 0.966 10 10 CCCE Cc1cn(CC(=O)NCCCCN=[N+]=[N-])c(=O)nc1O 2284581248 WNPJSHLNJQXIDN-UHFFFAOYSA-N 280.288 0.464 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1[C@H]2CSC[C@H]1CC(O)C2 2285873843 FQCSLVMETULNJJ-RKDXNWHRSA-N 296.348 0.574 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1C[C@@H]2C[C@@H](O)[C@H]1C2 2309924440 MGHOZQPRKFECAZ-NBEYISGCSA-N 250.254 0.088 10 10 CCCE C[C@H](N)c1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)c(Cl)c1 2332921214 YYDSYXFJIOFSNZ-VGYUKGMSSA-N 286.759 0.262 10 10 CCCE CS(=O)(=O)[C@H]1CC[C@@](NCCCN=[N+]=[N-])(C(=O)O)C1 2336506184 MQCMUSLUMXSEBQ-WPRPVWTQSA-N 290.345 0.697 10 10 CCCE CNC(=O)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 119035875 LWCUWPOOQBGGKA-UHFFFAOYSA-N 291.351 0.480 10 10 CCCE O=C(NCC(F)(F)C(=O)O)c1ccc(O)c(O)c1 311226005 QXAXJBVWDOZZHP-UHFFFAOYSA-N 261.180 0.548 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1[C@H]2CC[C@@H]1[C@H](CO)C2 2356975444 VPIFBLDUJOMYNI-LPEHRKFASA-N 279.292 0.789 10 10 CCCE CN(CC(C)(C)O)S(=O)(=O)Cc1ccc(N)cc1 92965833 DIZNDOZRLJUOCD-UHFFFAOYSA-N 272.370 0.801 10 10 CCCE C[C@@H]1CCN(C(=O)c2ccc(O)c(O)c2)C[C@@H]1N 235318243 MWPXMVZXXDGYNW-SCZZXKLOSA-N 250.298 0.907 10 10 CCCE COc1ccc(OCC(=O)C(C)=O)c(C(N)=O)c1 808022794 PSUJPJWISAASSS-UHFFFAOYSA-N 251.238 0.331 10 10 CCCE CN(C[C@H](O)COc1ccc(N)cc1)C[C@H]1C[C@@H](O)C1 703751722 DNIMFGRVZDGCAP-YUTCNCBUSA-N 280.368 0.711 10 10 CCCE CC(=O)C(=O)COC(=O)CNC(=O)CC1CCCCC1 808510951 PQZBKAJBVXUQJV-UHFFFAOYSA-N 283.324 0.774 10 10 CCCE Nc1ccc(NC(=O)CCN2CC([C@@H](F)CO)C2)cc1 2166904843 FGQCQAFPRVRAHU-ZDUSSCGKSA-N 281.331 0.860 10 10 CCCE CC(=O)C(=O)COC(=O)Cc1c[nH]c2ncccc12 808526905 VDGQRIPUOTVQDX-UHFFFAOYSA-N 260.249 0.807 10 10 CCCE CSc1ncc(CN[C@H]2CNCCOC2)s1 2243821667 BNBSMVZJUQQZSY-QMMMGPOBSA-N 259.400 0.943 10 10 CCCE CCN(OC)C(=O)CNC(=O)c1ccc(C)c(O)c1O 844069568 WGUNMAMKTFVEKI-UHFFFAOYSA-N 282.296 0.546 10 10 CCCE C[C@H]1C(=O)N(CCN(C)C)CN1Cc1ccccc1O 843429490 XDLZXPSCBUWRPG-LBPRGKRZSA-N 277.368 0.944 10 10 CCCE CC(=O)C(=O)COC(=O)Cn1nc(C)c2cccnc21 924101997 VVPJIUJOOVHFEE-UHFFFAOYSA-N 275.264 0.441 10 10 CCCE NCCN1CCN(c2ccc3c(c2)CC(=O)N3)CC1 82569659 OVSLVEREANCQDX-UHFFFAOYSA-N 260.341 0.262 10 10 CCCE CN(C)c1ccc([C@@H](C(=O)O)N2C(=O)C=CC2=O)cc1 83540054 RTATUESZWOOHIT-ZDUSSCGKSA-N 274.276 0.803 10 10 CCCE NC(=O)CN1CCN(c2ccc(CO)cc2Cl)CC1 700784085 MHEASTHVLJJUTM-UHFFFAOYSA-N 283.759 0.440 10 10 CCCE NC(=O)[C@H]1CC[C@@H]1C(=O)NCc1c(O)cccc1O 1304053542 NFLOIZNQSDMJHM-YUMQZZPRSA-N 264.281 0.226 10 10 CCCE Nc1ccc(CCN2CCN3CCOC[C@H]3C2)cc1 2129374611 SROZLXDZEMWOFE-OAHLLOKOSA-N 261.369 0.828 10 10 CCCE CN(Cc1cnns1)C(=O)c1cc(O)c(O)c(O)c1 2132350690 PLZPFADZSYJASS-UHFFFAOYSA-N 281.293 0.927 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CCSC[C@@H]1CO 2132350614 OXJVHHMIKNROQP-QMMMGPOBSA-N 285.321 0.353 10 10 CCCE O=C(N[C@H]1COCC1(F)F)c1cc(O)c(O)c(O)c1 2132414636 YYYXNYJNTCAUEO-QMMMGPOBSA-N 275.207 0.567 10 10 CCCE CN(C)C(=O)N1CCC(C(=O)N2CC(N=[N+]=[N-])C2)CC1 1912144440 SUVFBZOXTNQGLF-UHFFFAOYSA-N 280.332 0.901 10 10 CCCE CC(=O)NCCNC(=O)CN1CCC[C@H](CN=[N+]=[N-])C1 1912201597 WNRHKEXQPZIOHP-LLVKDONJSA-N 282.348 0.261 10 10 CCCE COc1c([C@H](NCCN=[N+]=[N-])C(=O)O)cnn1C 1912210200 GGNNUEVVOLLTTF-ZETCQYMHSA-N 254.250 0.454 10 10 CCCE Cc1cc(N2CC[C@H]3C[C@H]2[C@H](O)[C@@H]3O)ccc1CN 2134814541 DQUDBNTZGPQFJJ-HPEDKQMDSA-N 262.353 0.774 10 10 CCCE C[C@@H]1[C@H](O)CCN1CC(=O)c1ccc(O)c(O)c1 1914261333 YELIWBBKNAIZQF-PSASIEDQSA-N 251.282 0.736 10 10 CCCE O=C1CN(Cc2c(O)cccc2Cl)[C@H](C(=O)O)CN1 2136364515 OPEWQBXHWMOGRY-VIFPVBQESA-N 284.699 0.431 10 10 CCCE Nc1ncncc1CNC(=O)Cc1ccc(O)c(O)c1 1566360689 VFJDHXAUINRKGJ-UHFFFAOYSA-N 274.280 0.329 10 10 CCCE COc1ccc(N2CC[C@H](NCC(=O)O)C2)cc1 259481384 YZIFOCDJWNCFPZ-JTQLQIEISA-N 250.298 0.948 10 10 CCCE Cc1ccc(C(=O)N[C@@H]2C[C@H](O)[C@H](O)C2)c(O)c1O 1635252728 WLQBNOJAFOIRSA-LETLQTKMSA-N 267.281 0.020 10 10 CCCE Cc1ccnc2nc(C(=O)NCc3ccc(O)cc3O)nn12 1570462119 DXRSJTCEUDAWIO-UHFFFAOYSA-N 299.290 0.774 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NCC(=O)N1CCCC1 1584942097 ZSIFJTRNQFVBKR-UHFFFAOYSA-N 278.308 0.379 10 10 CCCE CCN(CC)CCN[C@H](C(N)=O)c1ccccc1O 166110152 QNSQBBGMARFRAM-ZDUSSCGKSA-N 265.357 0.850 10 10 CCCE COC(=O)[C@H]1CCCN(C(=O)c2cc(O)c(O)c(O)c2)C1 1866303307 PUCBHQLDJRUXBP-QMMMGPOBSA-N 295.291 0.829 10 10 CCCE Cc1cccc(O)c1CN1CCN(C)[C@@H](C(=O)O)C1 1963012772 HDUSAZGAEKLSKT-GFCCVEGCSA-N 264.325 0.901 10 10 CCCE Nc1ccc(CS(=O)(=O)NCCOCC(F)F)cc1 236351537 VNMSBNNOOSLYDY-UHFFFAOYSA-N 294.323 0.970 10 10 CCCE N[C@@H]1CCO[C@H](C(=O)NCc2ccccc2O)C1 1966878246 MSWAZAASIMGDID-PWSUYJOCSA-N 250.298 0.515 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)[C@H]1CC=CCN1 1968739129 LHDVSCIPUCKCNA-LLVKDONJSA-N 262.309 0.675 10 10 CCCE C[C@@H](O)[C@H](CO)NCc1ccc(N2CCOCC2)cc1 1969628848 HBDCBQMRAPFJDE-DOMZBBRYSA-N 280.368 0.355 10 10 CCCE Cn1cnc(CCNC(=O)CCc2ccc(N)cc2)n1 148590899 YIGRZWGHERZBPX-UHFFFAOYSA-N 273.340 0.689 10 10 CCCE C[C@]1(O)CCCN(c2ccc3c(c2)NC(=O)[C@H]3N)C1 253068533 KVWPZLLKIOGYPP-JSGCOSHPSA-N 261.325 0.990 10 10 CCCE CCNC(=O)[C@H]1COCCN1c1ccc(CN)c(C)c1 159307678 LHVLXARRQQMQGK-CQSZACIVSA-N 277.368 0.795 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CC[C@H]2CS(=O)(=O)C[C@H]21 2151271892 IRNPCYXPTNSKTC-VHSXEESVSA-N 297.332 0.357 10 10 CCCE C[C@H](C(=O)Nc1ccc(N)cc1)N1CC[C@H](CO)C1 161602207 URXKLNAEAIWOLW-MNOVXSKESA-N 263.341 0.910 10 10 CCCE C[C@]1(C(=O)O)C[C@H]1C(=O)NCCc1ccc(O)c(O)c1 2147997991 CFOMMBCUHXZBGG-XPTSAGLGSA-N 279.292 0.867 10 10 CCCE Cc1cc(N(CC(N)=O)Cc2ccc(N)cc2)ncn1 40727604 GICQFFXUOMMKHV-UHFFFAOYSA-N 271.324 0.859 10 10 CCCE O=C1NCCC[C@H]1CNCc1ccc(O)c(O)c1 2027491319 FDMOYLDMBMBYDI-JTQLQIEISA-N 250.298 0.714 10 10 CCCE O=C1CCC[C@@H](CNCc2cccc(O)c2O)N1 2028876769 FMWKTRORTYKDSZ-JTQLQIEISA-N 250.298 0.856 10 10 CCCE COC[C@]1(NC(=O)Cc2ccc(O)c(O)c2)CCNC1 2157561342 YWTIWXXFDKGJJF-AWEZNQCLSA-N 280.324 0.135 10 10 CCCE CC[C@@H](O)CN(CC(N)=O)Cc1ccc(N)cc1 2038043219 WGYUFYULXDDTRG-GFCCVEGCSA-N 251.330 0.327 10 10 CCCE CO[C@@H]1CN(C(=O)Cc2ccc(N)cc2)[C@H]2COC[C@H]12 2158352806 JBICGIRGASNSGL-MELADBBJSA-N 276.336 0.684 10 10 CCCE CN(C)C[C@@H]1CN(C(=O)c2cccc(O)c2O)CCO1 193074787 MSSNXPGYCKVGQX-SNVBAGLBSA-N 280.324 0.500 10 10 CCCE Nc1ccc(NC(=O)NCCCCS(N)(=O)=O)cc1 311800648 BPSDLQIYUPSRGW-UHFFFAOYSA-N 286.357 0.459 10 10 CCCE C[C@H](CC(=O)N(C)C)NS(=O)(=O)Cc1ccc(N)cc1 312432521 SPJKHBVYXAACKK-SNVBAGLBSA-N 299.396 0.555 10 10 CCCE NCc1ccc(N2CCN3C(=O)NC(=O)[C@@H]3C2)cc1Cl 2171305269 OZPVOUFWFKCHMU-NSHDSACASA-N 294.742 0.539 10 10 CCCE Nc1ccc(NC(=O)CCN2C[C@@H](F)[C@H](CO)C2)cc1 2177134346 CAJYELVVYPROSN-GXFFZTMASA-N 281.331 0.860 10 10 CCCE O=C(O)[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@H]1F 2177160521 UPTCUJJITZZWOP-DTWKUNHWSA-N 283.255 0.521 10 10 CCCE O=c1nc(CCNCc2ccc(F)c(F)c2O)[nH]o1 703307175 HAJZVPNNSYTIKB-UHFFFAOYSA-N 271.223 0.679 10 10 CCCE C[C@@H]1[C@H]2CC[C@@H](C[C@]1(NCCCN=[N+]=[N-])C(N)=O)N2 686155973 DLFLPDUIWVQBSW-DTHBNOIPSA-N 266.349 0.661 10 10 CCCE CN(C)c1ccc(CN[C@@H]2COCC[C@@H]2O)cc1 710880560 SURSRMLYLXPOIP-KGLIPLIRSA-N 250.342 0.992 10 10 CCCE O=C(NCCCn1cncn1)c1ccc(O)c(O)c1 381354247 FUYYMXGRPBTJLO-UHFFFAOYSA-N 262.269 0.509 10 10 CCCE Cn1cc([C@@](C)(NCCCN=[N+]=[N-])C(=O)O)nn1 715069026 RNLDBCNDZHJRHQ-SECBINFHSA-N 253.266 0.405 10 10 CCCE CN[C@H](CNC(=O)c1cccc(O)c1O)C1CC1 716785304 FKKJTQZLJKMUEG-SNVBAGLBSA-N 250.298 0.826 10 10 CCCE C[C@H]1C[C@@H](O)CN1S(=O)(=O)Cc1ccc(N)cc1 385054091 WOMMZGRFGNSYMU-JOYOIKCWSA-N 270.354 0.554 10 10 CCCE NCC1(CNC(=O)c2cccc(O)c2O)CCC1 717695842 ZPTUXWSTCVPGFQ-UHFFFAOYSA-N 250.298 0.957 10 10 CCCE C[C@@H]1NC(=O)CC[C@@H]1NCc1ccc(O)c(O)c1O 392956935 NIYXBUBYDWINTB-CBAPKCEASA-N 266.297 0.560 10 10 CCCE C[C@@H](NC[C@@H]1CN2CCN1CC2)c1cc(O)ccc1O 394707708 UDXCBDVJEAKBPP-VXGBXAGGSA-N 277.368 0.748 10 10 CCCE Nc1ccc(OCCNC(=O)[C@@H]2CC[C@H]2C(=O)O)cc1 397497385 PFDLQHJNQOXKSU-VXGBXAGGSA-N 278.308 0.875 10 10 CCCE C[C@H]1C[C@H](C(=O)NCc2c(O)cc(O)cc2O)CO1 2062051497 DTIQORCKVMMMAO-YUMQZZPRSA-N 267.281 0.845 10 10 CCCE Nc1cc(O)nn1Cc1ccc([N+](=O)[O-])cc1O 2070290812 XAVJDWNELMUHGC-UHFFFAOYSA-N 250.214 0.833 10 10 CCCE CCn1nnnc1CNC(=O)CCc1ccc(N)cc1 2169376754 NAKDQXFKZHMRPL-UHFFFAOYSA-N 274.328 0.524 10 10 CCCE Nc1ccc(OCCN2CC[C@H](C(CO)CO)C2)cc1 2170668576 SHJSTOXPZNZXPY-LBPRGKRZSA-N 280.368 0.570 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCn2cncc2C1 1638759687 JNBKIVWQRLBKLD-NSHDSACASA-N 287.319 0.968 10 10 CCCE CO[C@@H]1C[C@H](CO)N(C(=O)c2cc(O)c(O)c(O)c2)C1 2188868233 NSJMRRFLOBWGGR-RKDXNWHRSA-N 283.280 0.025 10 10 CCCE CC1(C(N)=S)CC(NC(=O)c2cc(O)c(O)c(O)c2)C1 2188914591 BJVUAMUXYIKRRL-UHFFFAOYSA-N 296.348 0.988 10 10 CCCE COc1ccc(CNCCCNC(N)=O)c(O)c1 2048905026 DNQFBPQLFSGEOX-UHFFFAOYSA-N 253.302 0.549 10 10 CCCE CC1(C)COC[C@@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)N1 2049783146 RRCCFQRIQXMIBI-GUBZILKMSA-N 254.330 0.019 10 10 CCCE C[P@@]1(=O)C[C@@H](NCc2ccc(O)c(O)c2)[C@@H](O)C1 2057708968 RBRJGUABDDIZGD-RJVCPDIVSA-N 271.253 0.923 10 10 CCCE CC(=O)c1ccc(O)c(CN2C[C@@H](O)C[C@H](O)C2)c1 2105082444 GFJLZXIVDYHUJP-STQMWFEESA-N 265.309 0.522 10 10 CCCE CON(C)C1CN(C(=O)CCc2ccc(N)cc2)C1 2088387612 PEDKDONHYZMMRM-UHFFFAOYSA-N 263.341 0.905 10 10 CCCE CN(C)[S@@](C)(=O)=NC[C@H](O)COc1ccc(N)cc1 2111114075 YWIDTVDZMOVXSP-WLRWDXFRSA-N 287.385 0.583 10 10 CCCE CN(C)c1ccc([C@H](O)[C@H](N)c2nnn(C)n2)cc1 2091681351 ZXSWEBOGGLMULM-QWRGUYRKSA-N 262.317 0.010 10 10 CCCE COC[C@H](CCCN)NCCc1ccc(O)c(O)c1 2091752869 GWBFYGHSVFRJMP-LBPRGKRZSA-N 268.357 0.984 10 10 CCCE CN(C(=O)CCc1ccc(N)cc1)C1CS(=O)(=O)C1 2095901283 AWDXVFOMVLYXNI-UHFFFAOYSA-N 282.365 0.457 10 10 CCCE CN[C@H](C)c1ccc(N(C)[C@@H]2CC(=O)NC2=O)cc1 2114736617 CGHSBMIKTKGDDA-BXKDBHETSA-N 261.325 0.818 10 10 CCCE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2NCc1ccc2c(c1)CCO2 2118014582 CZYHWVBTTZOPHE-IMRBUKKESA-N 279.361 0.754 10 10 CCCE CNCc1ccc(N2CCOC[C@H]2C(N)=O)cc1OC 2204556366 CTGTTWKPQNUMID-LBPRGKRZSA-N 279.340 0.105 10 10 CCCE COC[C@@H]1[C@H](O)[C@H](O)CN1c1ccc([C@H](C)O)cc1F 2233866274 PGDFFQXSLMZGTG-IYMWITQMSA-N 285.315 0.436 10 10 CCCE Nc1ccc(CC(=O)N2C[C@@H]3COC[C@]3(CO)C2)cc1 2234548521 OVEDPKTZDXWZFE-IUODEOHRSA-N 276.336 0.279 10 10 CCCE [N-]=[N+]=N[C@@H]1CCC[C@@H]1NS(=O)(=O)N1CCC[C@@H]1CO 2225799613 LPKLBPQDNNJCEK-BBBLOLIVSA-N 289.361 0.509 10 10 CCCE COc1ccc(N2C[C@H]3C[C@H]2[C@@H](O)[C@H]3O)c(OC)c1 2226804834 KVVGGLJTZCTYNM-SCLYENHESA-N 265.309 0.634 10 10 CCCE COc1ccc(N2C[C@H](O)C[C@@]2(C)CO)c(C=O)c1 2227696436 SCIKTADRDCPJEM-RISCZKNCSA-N 265.309 0.830 10 10 CCCE CO[C@H]1[C@@H](N[C@H](C)c2cc(O)ccc2O)C[C@H]1O 2258673485 LRAGMPFLYWYGLU-ACRHEEIPSA-N 253.298 0.897 10 10 CCCE C[C@H](O)c1ccc(N2C[C@H](O)[C@@H](O)[C@H](CO)C2)c(F)c1 2289357277 FQPTTXMZXSTNNM-LMVZTGKYSA-N 285.315 0.029 10 10 CCCE C[C@@H](N)c1ccc(N2C[C@H]3CS(=O)(=O)[C@@H]3C2)cc1 2314885048 GBZCRVRRTGDKFG-SUZMYJTESA-N 266.366 0.940 10 10 CCCE C[C@@H](NC(=O)[C@@H]1CNC[C@@H](O)C1)c1ccccc1O 2332172825 LABWZLIEEKLCSE-VWYCJHECSA-N 264.325 0.540 10 10 CCCE COc1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)c(C)c1C 2334404296 PNSCLDFOUSLCLT-BZPMIXESSA-N 267.325 0.215 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@H]2C[C@@H]3C[C@H]2CN3)cc1 2341163934 WWEIGJQQWOXUPM-DRZSPHRISA-N 281.381 0.439 10 10 CCCE CCn1c(O)nnc1CNCc1cccc(O)c1O 2351551375 CXEXVXZRHRJBSO-UHFFFAOYSA-N 264.285 0.705 10 10 CCCE CN(C)Cc1cc([C@@H](CN)CC(=O)O)ccc1O 1951778926 BYIBGLPKBQXSSG-SNVBAGLBSA-N 252.314 0.971 10 10 CCCE COCCNC(=O)CN(C)c1cc(OC)c(OC)cc1N 213742855 GOYDXZZPJYFMEZ-UHFFFAOYSA-N 297.355 0.485 10 10 CCCE COc1ccc(=O)n(CC(=O)N(C)c2ccc(N)cc2)n1 134499494 UCZKNMLUHZKPIH-UHFFFAOYSA-N 288.307 0.497 10 10 CCCE CN(C)c1ccc(CNC(=O)[C@H](N)c2cnn(C)c2)cc1 131504249 MOVQIMZVAGPAEU-CQSZACIVSA-N 287.367 0.802 10 10 CCCE CCCC[C@H](CN)NC(=O)c1cc(O)nc(O)c1 130419715 PSYBWJZSUSWQBH-SECBINFHSA-N 253.302 0.740 10 10 CCCE COC(=O)[C@@H](C)S(=O)(=O)Nc1ccc(O)cc1F 85203902 RCDCZHINZOLOMD-ZCFIWIBFSA-N 277.273 0.835 10 10 CCCE C[C@H]1CNC[C@H](NC(=O)c2cccc(O)c2O)C1 232074767 HQXZRGLDLWINEY-RKDXNWHRSA-N 250.298 0.826 10 10 CCCE Nc1ccc(C[S@](=O)CC(=O)NC2CC2)cc1 383125476 GDXJNEHNPIADTJ-KRWDZBQOSA-N 252.339 0.796 10 10 CCCE CC(=O)C(=O)COC(=O)c1c2c(nn1C)CCCC2 808527482 ICQGMKZOSGEEJO-UHFFFAOYSA-N 264.281 0.614 10 10 CCCE O=C(NC[C@H]1C[C@@H](C(=O)O)CO1)c1ccc(O)c(O)c1 713916198 AGLYJEIDXJLOAG-RKDXNWHRSA-N 281.264 0.317 10 10 CCCE CSc1ncc(CNC(=O)[C@H]2COCCN2)s1 2248602038 OVHFTSAZYCGOFB-MRVPVSSYSA-N 273.383 0.470 10 10 CCCE O=C1N[C@@H](C(=O)NCCCSc2nccs2)CO1 823297305 BMQMVQXTTTZWLI-SSDOTTSWSA-N 287.366 0.850 10 10 CCCE CN(C)c1ccc(CNC(=O)O[C@H]2CNOC2)cc1 913926361 AFFTWNTWHBZDAY-LBPRGKRZSA-N 265.313 0.882 10 10 CCCE CS(C)(=O)=NC(=O)CNC(=O)c1cc(O)cs1 868948973 LNKZFAGJBSKWNO-UHFFFAOYSA-N 276.339 0.438 10 10 CCCE CN(C)c1ccc(CN(C)C2CS(=O)(=O)C2)cc1 895400995 QHWSJHOLPBQWSO-UHFFFAOYSA-N 268.382 0.981 10 10 CCCE Cc1ccc(C(=O)NC[C@]2(CCO)CCOC2)c(O)c1O 780983881 NRWJYBTXWBBFFT-HNNXBMFYSA-N 295.335 0.925 10 10 CCCE O=C1N[C@@H](Cc2ccc(O)c(O)c2)C(=O)N1CC1CC1 701025336 CMDTXOGNMWORCA-JTQLQIEISA-N 276.292 0.971 10 10 CCCE O=C(NCc1c(O)cccc1F)C1=C2CCCN=C2NN1 1156178050 UAVQGCMMCSNPTG-UHFFFAOYSA-N 290.298 0.702 10 10 CCCE Nc1ccc(OC[C@H](O)CN2CC[C@](F)(CO)C2)cc1 1917075292 YVTVVZVPCBJCEW-TZMCWYRMSA-N 284.331 0.415 10 10 CCCE O=C(NC[C@@H](O)c1cnc[nH]1)c1cccc(O)c1O 1651853499 YKJSEKBZKTXHOQ-SNVBAGLBSA-N 263.253 0.284 10 10 CCCE Cn1cccc([C@@H](NCCCN=[N+]=[N-])C(N)=O)c1=O 2121262681 FGWNLBFWETTWAZ-SECBINFHSA-N 264.289 0.202 10 10 CCCE CN(CCCN=[N+]=[N-])C(=O)Cn1ccc([N+](=O)[O-])n1 1912164935 ZGRWPBBGXVJSLP-UHFFFAOYSA-N 267.249 0.950 10 10 CCCE [N-]=[N+]=NC1CCN(S(=O)(=O)N2CCC[C@H](O)C2)CC1 1912169659 NHFWUJDKAIODGZ-JTQLQIEISA-N 289.361 0.463 10 10 CCCE CN(CCN=[N+]=[N-])C(=O)[C@@H]1CC(=O)N(C2CC2)C1 1912158889 AMDGJWUYISBMSN-MRVPVSSYSA-N 251.290 0.766 10 10 CCCE CN(C(=O)COc1ccc(N)cc1)C1CC(O)C1 1914584621 YFRWSFJJJJYBCQ-UHFFFAOYSA-N 250.298 0.629 10 10 CCCE COC(=O)[C@@H](C)CNC(=O)c1cccc(O)c1O 1292516640 TWANXQWTZURTML-ZETCQYMHSA-N 253.254 0.637 10 10 CCCE C[C@@H](O)c1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3C(N)=O)cc1O 2136588688 PWJCQVMHBNLSEE-XDRUHAPNSA-N 262.309 0.613 10 10 CCCE CC(=O)NCCNC(=O)[C@@H](C)Oc1ccc(N)cc1 1860080377 FFDBGNHNIOUTSQ-SECBINFHSA-N 265.313 0.288 10 10 CCCE CN(C)c1ccc([C@H](NCCCO)C(=O)O)cc1 211860091 GJBWACCQTWJQOV-LBPRGKRZSA-N 252.314 0.850 10 10 CCCE COc1ccc(N2CCCNC(=O)[C@H]2CCN)cc1 216994428 OAXUXNOJLUHBCF-CYBMUJFWSA-N 263.341 0.739 10 10 CCCE COc1ccc(N2[C@H](C)CCNC(=O)[C@H]2CO)cc1 217097465 BBHPJDQBNOVBLH-ZWNOBZJWSA-N 264.325 0.771 10 10 CCCE Cc1nc(O)nc(O)c1CC(=O)NCc1ccccc1O 1636057513 DYRKINQKMKGORE-UHFFFAOYSA-N 289.291 0.761 10 10 CCCE COc1ccc(N2CCN(C)C[C@@H]2CCO)c(N)c1 2138085081 UHGRHOYRRMPTOW-NSHDSACASA-N 265.357 0.780 10 10 CCCE Nc1ccc(NC(=O)CN2C[C@H]3C[C@H]2[C@@H]3CO)cc1 2138372748 DYRRDHDDQKWPMM-WQAKAFBOSA-N 261.325 0.520 10 10 CCCE Cc1cccc(CNC(=O)[C@@H]2CC[C@H](CN)O2)c1O 2139761556 ITZBXPXADSHBPI-NEPJUHHUSA-N 264.325 0.823 10 10 CCCE C[C@H](CN)CC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 158201270 WERYIOUAIAMNEM-WPRPVWTQSA-N 296.323 0.195 10 10 CCCE O=C(N[C@@H]1CC2(CCC2)[C@H]1O)c1cc(O)nc(O)c1 2140673218 YVBIRKIKMVVGBO-KCJUWKMLSA-N 264.281 0.526 10 10 CCCE CCCOc1cc(N2CCNC[C@@H](O)C2)ccc1N 1876329133 MIXYNDFUKFPLRY-GFCCVEGCSA-N 265.357 0.828 10 10 CCCE CN(C(=O)CCOc1ccc(N)cc1)C1CC(N)C1 1876477944 PUALVOXPCIMGOV-UHFFFAOYSA-N 263.341 0.986 10 10 CCCE COc1cc(N)c(N2C[C@H](N)[C@@H](OC)C2)cc1OC 1876546262 QFYSMRONJREKNZ-ZANVPECISA-N 267.329 0.448 10 10 CCCE CN(Cc1ccccc1O)C[C@]1(O)CNCCOC1 1877544945 JTDZKHRLHDHKIC-CQSZACIVSA-N 266.341 0.175 10 10 CCCE OCC1(CO)CCN1c1ccc2c(c1)CCC[C@@H]2O 1879986999 OQIYVXZWWKNAPV-AWEZNQCLSA-N 263.337 0.990 10 10 CCCE C[C@H](N(CC(N)=O)Cc1ccc(N)cc1)C(C)(C)O 1888955138 ITFZWMLQAYSHIY-JTQLQIEISA-N 265.357 0.716 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NOC1CCCC1 137015134 QPPCGPTYRODYAB-NSHDSACASA-N 280.324 0.958 10 10 CCCE C[C@@H]1CN[C@H](C(=O)NCc2ccccc2O)CO1 1969154556 OSIUZAFFISMUBD-KOLCDFICSA-N 250.298 0.385 10 10 CCCE CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)Cc1ccc(N)cc1 1970366390 WKRIGZVZFODPJK-LBPRGKRZSA-N 296.392 0.704 10 10 CCCE O=C(c1cccc(O)c1O)N1C[C@@H]2OCCO[C@@H]2C1 1972638913 LECQYUKZBITGJO-PHIMTYICSA-N 265.265 0.338 10 10 CCCE N[C@@H]1C[C@H]2C[C@H]1C[C@H]2NC(=O)Cc1ccc(O)c(O)c1 1974368642 GKHJVJLVHAUYLN-IRCOFANPSA-N 276.336 0.882 10 10 CCCE C[C@H](c1cc(F)ccc1O)N1C[C@@H](C(N)=O)C[C@@H](N)C1 2151021105 IATFEZHAOQORTJ-WCABBAIRSA-N 281.331 0.727 10 10 CCCE COC(=O)C[C@@H](N)c1cc(C#N)c(OC)cc1O 260257056 RFQIIZWLWAIBDY-SECBINFHSA-N 250.254 0.835 10 10 CCCE O=C1Nc2cc(N3C[C@@H]4OCCO[C@@H]4C3)ccc2[C@H]1O 2149770530 JRLHPNRVNXSFRP-FRRDWIJNSA-N 276.292 0.276 10 10 CCCE O=C(CN1CC(F)(F)C[C@H]1CO)c1ccc(O)c(O)c1 2159040326 KSEJBYWADLCRCV-VIFPVBQESA-N 287.262 0.982 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)[C@H]1CCCN1 182627554 LFSHYUYUPJSRCH-SNVBAGLBSA-N 250.298 0.509 10 10 CCCE [N-]=[N+]=N[C@H]1CCCN(C(=O)c2cnc(O)nc2O)C1 403815077 JEAGUTKYSKAYNG-LURJTMIESA-N 264.245 0.803 10 10 CCCE NCCn1cc(NC(=O)c2cccc(O)c2O)cn1 311841147 UGXHSJRTUFPLMC-UHFFFAOYSA-N 262.269 0.505 10 10 CCCE C[C@H](c1ccccc1O)N(C)C(=O)[C@H]1COC[C@@H]1N 90383008 UASVTPDSBSUWGJ-USWWRNFRSA-N 264.325 0.885 10 10 CCCE CC(C)(CNS(C)(=O)=O)NCc1ccc(O)c(O)c1 708256793 LXSYJIIZCWAUOR-UHFFFAOYSA-N 288.369 0.515 10 10 CCCE CN1CCc2cc(CN[C@H]3COCC[C@H]3O)ccc21 710913078 JMVROKLSPPCXLA-DZGCQCFKSA-N 262.353 0.918 10 10 CCCE NN[C@@H](c1ccc(N2CCCC2)cc1)C1CS(=O)(=O)C1 2163100853 VVFIYHLTEBCEKT-AWEZNQCLSA-N 295.408 0.836 10 10 CCCE CNC(=O)CC1CN(c2c(F)cc(CN)cc2F)C1 382123765 VNESLUMVJFXTPH-UHFFFAOYSA-N 269.295 0.996 10 10 CCCE CCOC(=O)[C@](C)(NCCN=[N+]=[N-])c1cn(CC)nn1 714987042 OHGGITNDNLMTFI-LLVKDONJSA-N 281.320 0.976 10 10 CCCE C[C@H](N)c1ccc2c(c1)CCN2Cc1nnnn1C 697948361 FNDPNAPLRIMWQS-VIFPVBQESA-N 258.329 0.793 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N3CCS[C@@H](CO)C3)ccc21 720046549 RTTIGCPFLMYNLF-ZWNOBZJWSA-N 293.392 0.813 10 10 CCCE C[C@H](NC(=O)COc1ccc(N)cc1)c1ncn(C)n1 391762643 JRPULCPURNDAKA-VIFPVBQESA-N 275.312 0.654 10 10 CCCE C[C@H](NC[C@H]1CN2CCN1CC2)c1ccc(O)cc1O 394699918 PMWBMBHMSFWVCY-RYUDHWBXSA-N 277.368 0.748 10 10 CCCE COc1ccc(N2CCC[C@H]2[C@H](O)CO)c([N+](=O)[O-])c1 2179744199 YZUPTINKDFJNNV-WCQYABFASA-N 282.296 0.925 10 10 CCCE O=S1(=O)C[C@H]2[C@H](CNCc3ccc(O)c(O)c3O)[C@H]2C1 2174613845 CQOVYLPRVCMWBM-OWUUHHOZSA-N 299.348 0.184 10 10 CCCE [N-]=[N+]=N[C@@H]1C[C@@H](C(=O)O)N(C(=O)C(F)(F)F)C1 2081100595 RTEYOQUMMABRGE-DMTCNVIQSA-N 252.152 0.913 10 10 CCCE C[C@](NC(=O)c1cc(O)c(O)c(O)c1)(C(=O)O)C1CC1 2188868356 PVAQJVRRTKJIFL-CYBMUJFWSA-N 281.264 0.787 10 10 CCCE OCc1cc(F)c(N2C[C@@H]3C[C@H](C2)[C@H](O)[C@@H]3O)c(F)c1 2182553237 KXPYYMIOQAFDFD-LPQAMYBRSA-N 285.290 0.635 10 10 CCCE NC(=O)NC1CN(c2c(F)cc(CO)cc2F)C1 2044812193 IJEGFVFXKDMGLL-UHFFFAOYSA-N 257.240 0.314 10 10 CCCE OC[C@H](O)[C@@H]1COCCN1c1ccc2c(c1)CC[C@H]2O 2184734994 AETPYXUTAXJFRK-ZNMIVQPWSA-N 279.336 0.225 10 10 CCCE C[C@]1(O)CN(C(=O)c2ccc(O)c(O)c2)CC[C@@]1(C)O 2194609682 YMNJSWOBSVSWEE-KGLIPLIRSA-N 281.308 0.446 10 10 CCCE C[C@H](c1c(O)cccc1O)N1C[C@H](O)C[C@@H]1CN 2060806134 DKGATTGENAIGKW-OPRDCNLKSA-N 252.314 0.553 10 10 CCCE CCC[C@@H](NC(=O)CCOc1ccc(N)cc1)C(N)=O 2186468030 BJZQJYKXESACNC-GFCCVEGCSA-N 279.340 0.808 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@H]2CCNCC23CC3)cc1 2191634500 NQFJEFDJEFUFOM-ZDUSSCGKSA-N 295.408 0.830 10 10 CCCE Cn1cc(N)c(S(=O)(=O)NCCc2ccc(N)cc2)n1 2191644246 OGRNEFXUDXUZEZ-UHFFFAOYSA-N 295.368 0.106 10 10 CCCE Nc1ccc(CCC(=O)N2CCC[C@](N)(CO)C2)cc1 2191714945 TYCHKOWTGBJIAT-OAHLLOKOSA-N 277.368 0.514 10 10 CCCE CCN(CCCN)C(=O)c1cc(O)c(O)c(O)c1 2068622803 AOFISCKHJOEVQR-UHFFFAOYSA-N 254.286 0.614 10 10 CCCE Cn1ncc(CO)c1S(=O)(=O)Nc1ccc(O)cc1 2101551359 DSCIIZZBGLCJTI-UHFFFAOYSA-N 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CCn1cnc(S(=O)(=O)NCc2ccc(N)cc2)c1 92889920 LIJSNZFUYOEZFD-UHFFFAOYSA-N 280.353 0.964 10 10 CCCE CCN[C@@H](C)c1ccc(N2C[C@H](O)[C@H](O)C2)cc1 233574853 MQJDXEZWFOKCOE-LEWSCRJBSA-N 250.342 0.899 10 10 CCCE O=C1NCCN[C@H]1c1ccc(Br)cc1O 96886539 LUVGRHBOWIZGEY-VIFPVBQESA-N 271.114 0.915 10 10 CCCE C[C@@]1(C(=O)N(CC(N)=O)Cc2ccc(N)cc2)CCCO1 94786532 KWQOESLRSXPBNH-HNNXBMFYSA-N 291.351 0.652 10 10 CCCE NCCCN(C=O)C(=S)Nc1ccc(N)cc1 243362280 MBASWONMJIVBEA-UHFFFAOYSA-N 252.343 0.773 10 10 CCCE CC(=O)C(=O)COC(=O)c1cc(C)nc2cc(C)nn12 808506953 VQOPHMZUHBWQBQ-UHFFFAOYSA-N 275.264 0.661 10 10 CCCE CCOc1ccc(O)c(CN2CCOC[C@@H](O)C2)c1 294699014 CWSBDOUNYFDYIB-LBPRGKRZSA-N 267.325 0.984 10 10 CCCE CN[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)C[C@@H]1C 721625400 SMWIOTGAZFHKCX-WCBMZHEXSA-N 265.313 0.563 10 10 CCCE Cn1ccnc1COCC(=O)NCc1ccc(O)cc1O 910946930 VYGOBWKCIQAXBF-UHFFFAOYSA-N 291.307 0.664 10 10 CCCE COc1cccc(CNC(=O)N[C@@H](C)[C@@H](C)N)c1O 842003500 IFBRTWPHPWIPEY-BDAKNGLRSA-N 267.329 0.936 10 10 CCCE C[C@@H](NC(=O)[C@]1(CO)CCNC1)c1ccccc1O 1877577718 FAWNIGVENIUURI-QMTHXVAHSA-N 264.325 0.541 10 10 CCCE Cc1ccc(O)c([C@H](N)C(=O)NCCCN(C)C)c1 83482351 GICUNAHTFHOGGV-ZDUSSCGKSA-N 265.357 0.768 10 10 CCCE C[C@H]1CNC[C@@H]1CNC(=O)c1ccc(O)c(O)c1 708571237 CTGKHURIVKSGEL-WCBMZHEXSA-N 250.298 0.683 10 10 CCCE O=C(NC[C@H]1C[C@@H](C(=O)O)CO1)c1cccc(O)c1O 713919602 MNNHJQURIPUZOX-HTQZYQBOSA-N 281.264 0.317 10 10 CCCE CN1C(=O)[C@H](O)c2ccc(N3CC4CC3(CO)C4)cc21 694508729 OZXPHYJFUSZEES-KWCGZIOASA-N 274.320 0.658 10 10 CCCE CN(Cc1ccc(N(C)C)cc1)C(=O)c1nnn[nH]1 95039775 LHXMSIPNOGGFJQ-UHFFFAOYSA-N 260.301 0.538 10 10 CCCE CN(C)C[C@H]1C[C@@H](O)CN1Cc1cc(N)ccc1O 97245253 SYELKXQSRLCFEX-CHWSQXEVSA-N 265.357 0.471 10 10 CCCE NCc1ccc(N2CC3(C2)OC[C@@H](O)[C@H]3O)c(Cl)c1 2127251637 MFEZCCOSKTVDJO-VXGBXAGGSA-N 284.743 0.110 10 10 CCCE Cc1ccc([C@H](C)N[C@@H]2CS(=O)(=O)C[C@H]2O)c(O)c1 2121365648 WPJSRQQFMRNLGT-UFGOTCBOSA-N 285.365 0.509 10 10 CCCE N[C@@H]1CCc2cc(N3C[C@H](CO)C[C@H]3CO)ccc21 2128310951 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CCCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@H](n2cncn2)C1 1556270386 RGHDXERXJKHNNC-NSHDSACASA-N 288.307 0.705 10 10 CCCE C[C@H](C[S@@](C)=O)NC(=O)[C@@H]1CNc2ccccc2N1 229885042 UXMYQRGFPVOIKX-JNGGQTBLSA-N 281.381 0.776 10 10 CCCE COC[C@@H](NC(=O)/C=C/c1ccc(N(C)C)cc1)C(=O)O 158391968 FFOIHSQUWGCHTG-YSKGHYERSA-N 292.335 0.982 10 10 CCCE O=C(O)CCN1C(=O)Cc2cc(N3CCNCC3)ccc21 259426175 JXPFQUUPVLSOOI-UHFFFAOYSA-N 289.335 0.460 10 10 CCCE CN(C)c1ccc2c(c1)OCCN2CC(C)(CO)CO 2143453661 HQPKGOJUUVFHDD-UHFFFAOYSA-N 280.368 0.942 10 10 CCCE COCC(O)(CNCc1ccc(F)cc1O)COC 1875695181 LLQWORXHOBJCKE-UHFFFAOYSA-N 273.304 0.645 10 10 CCCE C[C@H](c1ccccc1O)N(C)[C@@H]1CS(=O)(=O)C[C@H]1O 1877533727 WWYLUXMFJGTHQE-IRUJWGPZSA-N 285.365 0.543 10 10 CCCE O=C(CN1CCS(=O)(=O)CC1)c1ccc(O)c(O)c1 37339380 UQQUQCVUAMEFHF-UHFFFAOYSA-N 285.321 0.011 10 10 CCCE C[C@@H](C(N)=O)N(C)c1ccc(OCCN(C)C)cc1 1884043543 AJCUVBNEYDZMFU-NSHDSACASA-N 265.357 0.937 10 10 CCCE O=C1CCN(c2ccc([N+](=O)[O-])c(CO)c2)CCN1 236508997 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O=C1Nc2cc(N3C[C@H](O)C(F)(F)C3)c(F)cc2[C@@H]1O 2152094048 ISGSLLWBQIYPKJ-UWVGGRQHSA-N 288.225 0.627 10 10 CCCE Oc1ccc(CNCCc2cnn[nH]2)c(O)c1O 2029272757 ZDWWSXATTASYKZ-UHFFFAOYSA-N 250.258 0.254 10 10 CCCE CS(=O)(=O)N1CC[C@@H](NCc2ccc(O)c(O)c2)C1 400102128 AYPLPULMIUOXFW-SNVBAGLBSA-N 286.353 0.221 10 10 CCCE CNC(=O)CSCC(=O)Nc1ccc(N)cc1 310061272 RKKXOWDHUVFVON-UHFFFAOYSA-N 253.327 0.687 10 10 CCCE CCCN(CC(N)=O)c1cc2c(cc1N)OCC(=O)N2 312662436 HMRWACNQAHEHLM-UHFFFAOYSA-N 278.312 0.301 10 10 CCCE CS(=O)(=O)CCCS(=O)(=O)CCN=[N+]=[N-] 319859283 GPZHKRJBYQYCSG-UHFFFAOYSA-N 255.321 0.146 10 10 CCCE CC(=O)c1ccc(O)c(CN2C[C@@H]3NC(=O)O[C@H]3C2)c1 2176927167 LQYWKTOKOZNZHI-AAEUAGOBSA-N 276.292 0.887 10 10 CCCE O=C1N[C@H]2CN(CC(=O)c3ccc(O)c(O)c3)C[C@H]2O1 2176927726 OOTBMMCIPBRZSN-QPUJVOFHSA-N 278.264 0.073 10 10 CCCE O=C(c1cccc(O)c1O)N1CCC[C@@H](NCCO)C1 708560477 IHICCMUWBGSDMJ-SNVBAGLBSA-N 280.324 0.284 10 10 CCCE C[C@@H](O)CN(CCO)[C@H](C)C(=O)Nc1ccc(N)cc1 380315700 LXAUFLLIHJFWLX-GHMZBOCLSA-N 281.356 0.271 10 10 CCCE O=C(O)CC[C@@H]1CCCN1C(=O)c1cc(O)nc(O)c1 383361783 FGTUZJBXMLDMPP-VIFPVBQESA-N 280.280 0.962 10 10 CCCE CCCN(CC(N)=O)C(=O)[C@@H]1CNc2ccccc2N1 383394465 UGBDHAPCMNCXBS-LBPRGKRZSA-N 276.340 0.617 10 10 CCCE CN(C)C1[C@H]2CN(C(=O)Cc3ccc(N)cc3)C[C@H]12 384948271 REPKUJAXLJZGGQ-STQMWFEESA-N 259.353 0.830 10 10 CCCE COc1ccc(O)c([C@@H](C)NCCc2nc(=O)o[nH]2)c1 392162339 SVBGOUZRYCHOBP-MRVPVSSYSA-N 279.296 0.970 10 10 CCCE Cc1cc(O)n2ncc(C(=O)N3CCC[C@H](O)[C@H]3C)c2n1 2062610450 DEZGHNVUEODBEC-KOLCDFICSA-N 290.323 0.729 10 10 CCCE CN1C(=O)CC[C@H]1C(=O)Nc1ccc(O)c(O)c1 2063311545 WUHLFZXBGFYWFT-QMMMGPOBSA-N 250.254 0.657 10 10 CCCE CCn1ncnc1CN(C)C(=O)c1ccc(O)c(O)c1 2168060355 JRWFZCVROZFOSV-UHFFFAOYSA-N 276.296 0.981 10 10 CCCE O=C(N[C@]1(C(=O)O)CCCOC1)c1cccc(O)c1O 2169557879 JOCDYKIFEJYJPU-CYBMUJFWSA-N 281.264 0.461 10 10 CCCE O=C(CN1CC(n2cnnc2)C1)c1ccc(O)c(O)c1 2170197025 DRYIJPLHOFBBKF-UHFFFAOYSA-N 274.280 0.429 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CC[C@@H](O)[C@H]1C1CC1 2188867609 DFDWDRRPWKKNFQ-BXKDBHETSA-N 279.292 0.789 10 10 CCCE C[C@H]1SC[C@@H](C(=O)O)N1C(=O)c1cc(O)c(O)c(O)c1 2188867724 FTFXBZOWKDKFRF-VDTYLAMSSA-N 299.304 0.792 10 10 CCCE N[C@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)C[C@H]1C(F)F 2188918958 JAKMWLOCMRGILI-RQJHMYQMSA-N 288.250 0.468 10 10 CCCE CN1CCOC[C@@H]1CNC(=O)Cc1ccc(O)c(O)c1 1471164312 FOUWOJYMPOTJLG-NSHDSACASA-N 280.324 0.087 10 10 CCCE COCCNC(=O)[C@H](C)N1CCc2cc(CN)ccc21 2189917261 UWKPOTPBCLYOEA-NSHDSACASA-N 277.368 0.659 10 10 CCCE Cn1ccc([C@]2(CN)CCOC23CCOCC3)cc1=O 2190322105 YWJPSWWNZUUDIR-CQSZACIVSA-N 278.352 0.551 10 10 CCCE NC(=O)[C@H]1COCCN1c1ccc2c(c1)CCC[C@H]2N 2184688062 WUTNQVNLLHZXBV-ZIAGYGMSSA-N 275.352 0.713 10 10 CCCE N[C@@H]1CCCc2cc(N3C[C@H]4C[C@H]3[C@H](O)[C@H]4O)ccc21 2184683625 CGMQTVNDKCUFJK-DMHMKPBJSA-N 274.364 0.953 10 10 CCCE CC(C)[C@H](O)CN(C)C(=O)c1cc(O)nc(O)c1 2048566335 KYWMVWZFALFYPS-SECBINFHSA-N 254.286 0.582 10 10 CCCE N[C@@H]1C[C@@H]2C[C@H](C(=O)C(=O)C[C@H]3C[C@H](N)C3)C[C@H]21 2049783731 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10 10 CCCE [N-]=[N+]=NCCNC(=O)[C@@]12CCC[C@H]1CS(=O)(=O)C2 2082083014 OGCKVOPXGJWZFW-WCBMZHEXSA-N 272.330 0.628 10 10 CCCE COc1cc(N2CCNC(=O)CC2)ccc1CO 2084016510 LVXCTRHXPLEBIV-UHFFFAOYSA-N 250.298 0.514 10 10 CCCE COc1cccc(O)c1CN[C@@H]1CCC(=O)NC1=O 2104438521 NJVYPHJBPPTDNJ-SECBINFHSA-N 264.281 0.296 10 10 CCCE Nc1ccc(CCC(=O)N2C[C@@H](O)C[C@@H](O)C2)cc1 2105114588 WVGYOXYAXRUPDZ-BETUJISGSA-N 264.325 0.156 10 10 CCCE COc1ccc([C@H](C)N[C@@H]2C[C@@H](O)C[C@H]2O)c(O)c1 2108797864 SOWPKSQVJCISQN-LIMOIJHXSA-N 267.325 0.936 10 10 CCCE COc1cc(N)c(N2C[C@@H]3[C@@H](CO)[C@@H]3C2)cc1OC 2090739395 OJNTUOXXHVZOFJ-MYJAWHEDSA-N 264.325 0.961 10 10 CCCE COc1ccc(N2C[C@@H](N)C[C@@H](C(N)=O)C2)c(F)c1F 2201630937 PWQLHCMSWTVLMT-SFYZADRCSA-N 285.294 0.612 10 10 CCCE C[C@H](c1ccc(F)cc1O)N1C[C@H](O)[C@H](O)[C@@H]1C(=O)O 2200863355 OSEGQCBLGYOQGX-DUKRFPAISA-N 285.271 0.083 10 10 CCCE Oc1ccc(CNC2CN([C@@H]3CCOC3)C2)cc1O 2113048630 ABGPMTOPZUIAHP-GFCCVEGCSA-N 264.325 0.661 10 10 CCCE C[C@H](O)CN1CCN(Cc2cc(N)ccc2O)CC1 2113858812 LMWQMWDKWZHLBV-NSHDSACASA-N 265.357 0.473 10 10 CCCE C[C@H](N)c1ccc(N2CC[C@H]([C@](C)(O)CO)C2)cc1O 2202842197 CHJJMPVWFQVGGE-ZIBATOQPSA-N 280.368 0.982 10 10 CCCE COc1cc(N2C[C@@H]3[C@H](CCS3(=O)=O)C2)ccc1CO 2204549930 LIDWKGLQNDBGBT-QMTHXVAHSA-N 297.376 0.811 10 10 CCCE Cc1cccc(CNC(=O)Cn2cccnc2=O)c1O 2204620687 BZONHXWHWAIHKK-UHFFFAOYSA-N 273.292 0.574 10 10 CCCE CN(C)C[C@H]1COC[C@@H]1NC(=O)c1cccc(O)c1O 2206395611 YTLUCRCNUJDTOA-ONGXEEELSA-N 280.324 0.404 10 10 CCCE Cc1cc(O)cc(C)c1NS(=O)(=O)CC(=O)O 2216990437 DFNIVVNXBRQMMW-UHFFFAOYSA-N 259.283 0.835 10 10 CCCE CO[C@H]1[C@H](CO)N(c2ccc(N)cc2)C[C@H]1OC 2218205360 RCFARDLIKUMJNE-XQQFMLRXSA-N 252.314 0.480 10 10 CCCE COc1ccc(N2CCOC[C@H]2[C@H](O)CO)cc1OC 2235124421 LQISMRJKSADODP-NWDGAFQWSA-N 283.324 0.262 10 10 CCCE CON(C)CCCNC(=O)c1cc(O)c(O)c(O)c1 2225744561 RFBSYZLTKQUBIN-UHFFFAOYSA-N 270.285 0.417 10 10 CCCE CNC(=O)[C@H]1CCN(c2ccc(OC)cc2C(=O)O)C1 2235955363 BWFMCQXATBTTAP-VIFPVBQESA-N 278.308 0.966 10 10 CCCE CNCc1cc(OC)ccc1N(C)[C@H]1CC(=O)NC1=O 2235956840 ZYHCOYTZKAVKAK-LBPRGKRZSA-N 277.324 0.266 10 10 CCCE COc1ccc(N2C[C@@H]3OC[C@@H](CO)O[C@@H]3C2)cc1 2265007198 SRFGMZKKQZHQJV-HZSPNIEDSA-N 265.309 0.660 10 10 CCCE COc1ccc(N(C)C[C@@H]2COCC3(CNC3)O2)cc1 2279450019 XHMQAGDFFUUNGD-CQSZACIVSA-N 278.352 0.889 10 10 CCCE CCN(CCN=[N+]=[N-])C(=O)C1(S(C)(=O)=O)CC1 2300532412 VOJASZSDNUHMBW-UHFFFAOYSA-N 260.319 0.722 10 10 CCCE CCN(CCN=[N+]=[N-])C(=O)[C@@H]1COC[C@@H]1C(=O)O 2316418587 MRMWYLSOMZGHLG-SFYZADRCSA-N 256.262 0.492 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1[C@H]2CC[C@@H]1C[C@H]2CO 2330477077 IWMYAIZROGQTEM-AEJSXWLSSA-N 264.281 0.478 10 10 CCCE COC(=O)[C@@]1(NCCN=[N+]=[N-])CC[C@@H](S(C)(=O)=O)C1 2336493872 DLEFINBLVJEUEW-PSASIEDQSA-N 290.345 0.395 10 10 CCCE COc1ncc([C@@H](NCCN=[N+]=[N-])C(N)=O)cc1F 2350069545 ZTPUXWHHTXMBAJ-MRVPVSSYSA-N 268.252 0.656 10 10 CCCE N[C@H]1CCc2cc(N3CCS(=O)(=O)CC3)ccc21 117350334 MEWRXVYRACQHBE-ZDUSSCGKSA-N 266.366 0.867 10 10 CCCE CN(C)c1ccc2c(c1)CN(S(C)(=O)=O)CCO2 409420220 BTTCVGVBZAFKRW-UHFFFAOYSA-N 270.354 0.907 10 10 CCCE CCOC(=O)N(CC(N)=O)Cc1ccc(N)cc1 35081197 OQWHOJSRKBSGGT-UHFFFAOYSA-N 251.286 0.713 10 10 CCCE COc1ccc(CN(C[C@@H](C)O)[C@@H](C)CO)c(O)c1 191213353 KCXJZFXHMGLARH-WDEREUQCSA-N 269.341 0.964 10 10 CCCE CCOC(=O)[C@@]1(NCCN=[N+]=[N-])CN2CCC1CC2 90257283 JGLXZGUBKCWZQE-GFCCVEGCSA-N 267.333 0.914 10 10 CCCE CC(=O)N(C(=O)N(CCO)CCO)c1ccc(N)cc1 243214075 KHDGAJHDDADITC-UHFFFAOYSA-N 281.312 0.028 10 10 CCCE O=C(N[C@H]1CC[C@H](C(=O)O)CC1)c1cc(O)nc(O)c1 709939976 RAPORTWGLCKYHU-XWEPSHTISA-N 280.280 0.866 10 10 CCCE CC(=O)C(=O)COC(=O)CCn1cc(Cl)cn1 808507223 DTLWDPUTWCZJAA-UHFFFAOYSA-N 258.661 0.628 10 10 CCCE NCc1cc(F)c(N2CC(CNC(N)=O)C2)c(F)c1 2130737004 FWWREVYZYGVHOQ-UHFFFAOYSA-N 270.283 0.528 10 10 CCCE C[C@@H](NC1CN(S(=O)(=O)N(C)C)C1)c1ccccc1O 858569154 AIRICZWEDHLZBQ-SNVBAGLBSA-N 299.396 0.533 10 10 CCCE COc1ccc(N2CC[C@@H](NC(=O)[C@@H](C)O)C2)cc1 855228293 YUPGVHZBBHYQIH-GHMZBOCLSA-N 264.325 0.771 10 10 CCCE COc1ccc(N2CCN([C@H]3CCNC3=O)CC2)cc1 269281718 PNUFGHFYYCFFOW-AWEZNQCLSA-N 275.352 0.706 10 10 CCCE C[C@H](N)c1ccc(N2CCOC[C@@H](O)C2)cc1O 399836589 ACVDIMAWAMHWSI-ONGXEEELSA-N 252.314 0.609 10 10 CCCE O=C(N[C@@H]1CCCC[C@@H]1C(=O)O)c1cc(O)nc(O)c1 70525152 GZPWEZNBRMFVLQ-DTWKUNHWSA-N 280.280 0.866 10 10 CCCE CNCc1cc(F)c(N2CCN(CCO)CC2)c(F)c1 62711178 GQSDNBPEFQFZNG-UHFFFAOYSA-N 285.338 0.799 10 10 CCCE O=C(CCCc1nn[nH]n1)NCc1ccc(O)cc1O 1142533623 OAODQZMTUNVOAE-UHFFFAOYSA-N 277.284 0.250 10 10 CCCE Nc1ccc(OCC(=O)OC[C@H]2COCCO2)cc1 690741966 WMYJAZRHWCHZNT-GFCCVEGCSA-N 267.281 0.606 10 10 CCCE CS(=O)(=O)C1(CNC(=O)Cc2ccc(O)c(O)c2)CC1 1156688478 VPPPXQDRJBVNKN-UHFFFAOYSA-N 299.348 0.334 10 10 CCCE C[C@H](N[C@H]1CCO[C@H]1C(N)=O)c1cc(O)ccc1O 2117463536 RAFFCQAWUMWAFW-VIRWGQHYSA-N 266.297 0.391 10 10 CCCE CC1(C)CNC(=O)CN1C(=O)Cc1ccc(N)cc1 2119116793 GOPINTWLUTXCDG-UHFFFAOYSA-N 261.325 0.548 10 10 CCCE C[C@@H](N)c1ccc(N2CC3(CNC(=O)C3)C2)cc1O 2119566309 IBBOWVIZAADVTB-SECBINFHSA-N 261.325 0.738 10 10 CCCE O=C1Nc2cc(N3C[C@@H](CO)[C@@H](F)C3)ccc2[C@H]1O 2120608785 JFEPUQKOPXWTJF-VIRWGQHYSA-N 266.272 0.439 10 10 CCCE CS(=O)(=O)NC1CN(c2ccc3c(c2)CC[C@@H]3O)C1 2128321834 KUIOUQIOEOQDNE-ZDUSSCGKSA-N 282.365 0.404 10 10 CCCE O=C1Nc2cc(N3C[C@@H]4COC[C@@H]43)c(F)cc2[C@H]1O 2129726304 NOZFCVJFOHTWCG-LKXWSVAYSA-N 264.256 0.646 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H]2C(CO)[C@H]2C1 2132348274 HUZUBOFPNCTXOA-YUMQZZPRSA-N 265.265 0.114 10 10 CCCE CC(C)O[C@H]1CS(=O)(=O)C[C@@H]1N1CC(N=[N+]=[N-])C1 1912144699 XDPGDUUWOYWYKJ-UWVGGRQHSA-N 274.346 0.572 10 10 CCCE Cn1nncc1S(=O)(=O)NCCCCN=[N+]=[N-] 1912211045 RGQZLISBZDSHGK-UHFFFAOYSA-N 259.295 0.184 10 10 CCCE C[C@]1(C(=O)NCc2c(O)cccc2O)CCNC1=O 1456326008 VRTSDKNMMPUXMQ-ZDUSSCGKSA-N 264.281 0.240 10 10 CCCE COC[C@@H](OC)C(=O)NCc1cccc(O)c1O 1528770896 FIRZWBWJMXPXIR-SNVBAGLBSA-N 255.270 0.375 10 10 CCCE COc1cccc(O)c1CN1C[C@@H](O)C[C@@H]1C(=O)O 2136120831 NBUYSCRSYYKQNU-WCBMZHEXSA-N 267.281 0.421 10 10 CCCE COC1(C(=O)O)CN(C(=O)CCc2ccc(N)cc2)C1 1917732423 LWLIVSKBFLLJLR-UHFFFAOYSA-N 278.308 0.513 10 10 CCCE CC1(C)[C@H](O)CN1c1cc2c(cc1F)[C@H](O)C(=O)N2 2136626387 FIKBZXUCMDWKPL-MNOVXSKESA-N 266.272 0.771 10 10 CCCE NCc1ccc(N2C[C@H]3C(C(N)=O)[C@@H]3C2)c(F)c1F 2136605917 KMGFSXSYYISXLT-HTQZYQBOSA-N 267.279 0.591 10 10 CCCE O=C(NCc1cc(O)ccc1O)c1cccc[n+]1[O-] 1471661030 DOMSXDMTNMYIND-UHFFFAOYSA-N 260.249 0.661 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N(CCO)C3CCC3)ccc21 228395435 LFMRPEDMSVEOSC-ZDUSSCGKSA-N 261.325 0.990 10 10 CCCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnncc1O 1638348717 YKDNFOUSDAVNIR-MRVPVSSYSA-N 289.291 0.954 10 10 CCCE O=C(NCc1ccc(O)cc1O)c1cn(C2CC2)nn1 1630307619 XLJNHTBDUIIHHL-UHFFFAOYSA-N 274.280 0.954 10 10 CCCE O=C(N[C@H](CO)[C@H]1CCOC1)c1cccc(O)c1O 1567037602 UFYOJDVPQSSLDF-WCBMZHEXSA-N 267.281 0.225 10 10 CCCE C[C@H](CC(N)=O)C(=O)NCc1ccc(O)cc1O 1643104099 MMRXTBUOMOBVBF-SSDOTTSWSA-N 252.270 0.226 10 10 CCCE Cn1cnc(CNC(=O)c2ccc(N=NC(N)=O)cc2)n1 1596299125 SOMYXKVUFALCPU-UHFFFAOYSA-N 287.283 0.908 10 10 CCCE CC(C)(C)n1nnc(C(=O)NCc2cc(O)ccc2O)n1 1593882089 QVPAFSIZSXOWFB-UHFFFAOYSA-N 291.311 0.769 10 10 CCCE O=C(NCc1ccc(O)c(O)c1)c1ccc2nn[nH]c2n1 1595596259 SKAQPYQLBAYYDH-UHFFFAOYSA-N 285.263 0.694 10 10 CCCE COc1cc(N(C)CCn2cnnc2)ccc1CO 2139682809 MMPBRKVIDWUXRV-UHFFFAOYSA-N 262.313 0.915 10 10 CCCE CCCS(=O)(=O)CCNC(=O)Cc1ccc(N)cc1 2139799193 CBULDJFYFNERLV-UHFFFAOYSA-N 284.381 0.752 10 10 CCCE COc1cc(N2CC[C@](C)(O)[C@@H](O)C2)ccc1CO 2139701360 BOAJJDIXQGDJAK-KBPBESRZSA-N 267.325 0.510 10 10 CCCE CN(C[C@@H](N)CO)c1ccc2c(c1)CCC(=O)N2C 259228828 XXCXICVUADFYPE-LLVKDONJSA-N 263.341 0.351 10 10 CCCE CN1CCc2cc(CN3CCNC[C@H]3C(=O)O)ccc21 250381725 MFAVDNWPCOTNFK-AWEZNQCLSA-N 275.352 0.537 10 10 CCCE CC[C@H](COC)OC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 2150930144 MDDSXDGJSNGMDQ-MNOVXSKESA-N 283.324 0.936 10 10 CCCE CN(C[C@@H]1CCS(=O)(=O)N1C)c1ccc(N)cc1 1967628631 NSPWIQRFIWEZCC-LBPRGKRZSA-N 269.370 0.739 10 10 CCCE CN1[C@H](CNC(=O)Nc2ccc(N)cc2)CCS1(=O)=O 2145349123 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289.328 0.987 10 10 CCCE C[C@]1(CO)C[C@H](O)CN1C(=O)Nc1ccc(N)cc1 698159738 RSSZYTOCJDBEAF-WCQYABFASA-N 265.313 0.618 10 10 CCCE CC(=O)C(=O)COC(=O)[C@@H]1CNC(=O)c2ccccc21 860415598 NCCXCOBGLJDUEO-LLVKDONJSA-N 275.260 0.215 10 10 CCCE O=C(NCCc1nnc2n1CCC2)c1cc(O)cs1 779367612 ACUNEQFBARQQBK-UHFFFAOYSA-N 278.337 0.964 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1C[C@@H]2C[C@]2(C(=O)O)C1 693272196 DUGPKKFJMSFJTH-SDBXPKJASA-N 263.249 0.645 10 10 CCCE CCNC(=O)[C@@H]1CNCCN1Cc1ccc(O)c(O)c1 89088491 TVRRDHDQPIBJJM-NSHDSACASA-N 279.340 0.008 10 10 CCCE CC(=O)c1ccc(O)c(CN(C)[C@H]2CCNC2=O)c1 1916836607 ALRYZPQATWWGIV-LBPRGKRZSA-N 262.309 0.915 10 10 CCCE Cc1cc(CO)ccc1N1C[C@H]2C[C@@H](O)[C@H](O)[C@H]1C2 2116737043 OXMRFBKIDWKQRR-NMFUWQPSSA-N 263.337 0.808 10 10 CCCE CC[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)CC[C@@H]1O 2123488510 KPFRVYAMSLFWTJ-SCZZXKLOSA-N 266.297 0.726 10 10 CCCE CN(C)[C@H]1CC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2132402049 WXNBNLHRUXTMSV-BDAKNGLRSA-N 266.297 0.626 10 10 CCCE 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CN(Cc1ccccc1O)S(=O)(=O)c1cn(C)nn1 1963985194 YQBMIZZLMHBACR-UHFFFAOYSA-N 282.325 0.341 10 10 CCCE COC1CN(S(=O)(=O)N(C)Cc2ccccc2O)C1 1963455815 VLGCFWHUYHEYMK-UHFFFAOYSA-N 286.353 0.399 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)[C@@]12CC[C@@H]1CCN2 1968739760 WEMCOOPHESAMKZ-IAQYHMDHSA-N 276.336 0.899 10 10 CCCE Oc1ccc(F)cc1CN[C@@H]1C[C@H]2C[C@H]1[C@@H](O)[C@@H]2O 1974157175 KWAQKLMAPKGVDZ-NHAJQZOWSA-N 267.300 0.751 10 10 CCCE C[C@H](N)c1ccc(N2CC([S@@](C)=O)C2)cc1O 2004525272 FBZJQHRZRIWCBS-WNWIJWBNSA-N 254.355 0.979 10 10 CCCE CCN[C@@H](C)[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)C1 2149424941 OVWSQGADDBSNFE-UWVGGRQHSA-N 279.340 0.953 10 10 CCCE OCCN1CCC(NCCc2ccc(O)c(O)c2)CC1 2148013510 WEOBRAOUOVUGFU-UHFFFAOYSA-N 280.368 0.687 10 10 CCCE Nc1ccc(-n2ccc(C(=O)NC[C@H](O)CF)n2)cc1 2150251696 ZUBHZIGZHXJEMM-LLVKDONJSA-N 278.287 0.515 10 10 CCCE CNC(=O)[C@H]1CCCN1CC(=O)c1ccc(O)c(O)c1 50154408 KETCCKPTPIGXPT-SNVBAGLBSA-N 278.308 0.491 10 10 CCCE CCn1cc(S(=O)(=O)Nc2ccc(O)cc2)nn1 2027809533 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CCC1(N)CCN(C(=O)c2cc(O)nc(O)c2)CC1 714760315 IXOJJQMJXFCMCE-UHFFFAOYSA-N 265.313 0.836 10 10 CCCE CN=c1[nH]c(=NCc2ccccc2O)[nH]cc1[N+](=O)[O-] 2173837222 KOUGQHXLUORUIY-UHFFFAOYSA-N 275.268 0.588 10 10 CCCE COc1ccc([C@H](C)NC[C@H](O)[C@H](C)O)c(O)c1 717289920 ZEBSYEOTIXFQFC-RVBZMBCESA-N 255.314 0.793 10 10 CCCE C[C@@H](CNS(=O)(=O)Cc1ccc(N)cc1)c1nn[nH]n1 392603891 YCVHGJQRDAMTHF-QMMMGPOBSA-N 296.356 0.005 10 10 CCCE C[C@@H](NC[C@@H]1CN2CCN1CC2)c1ccc(O)cc1O 394699919 PMWBMBHMSFWVCY-VXGBXAGGSA-N 277.368 0.748 10 10 CCCE COC(=O)[C@@]1(NCCCN=[N+]=[N-])CO[C@]2(CCOC2)C1 2178944762 JXHIPNUPGZSKIV-NEPJUHHUSA-N 284.316 0.768 10 10 CCCE COc1ccc(O)c(CN[C@@]23CC[C@@H](C2)[C@@H](O)[C@@H]3O)c1 2176917463 OIPIQMFDZFGNLU-FLCCKXIQSA-N 279.336 0.765 10 10 CCCE Nc1cc2c(cc1N1C[C@H]3C[C@@H](O)[C@H]1C3)NC(=O)CO2 2177151936 FYUUCWMDSLPLRM-NZXMKCKXSA-N 275.308 0.559 10 10 CCCE O=C1Nc2cc(N3CC[C@H](O)[C@@H](O)C3)c(Cl)cc2[C@H]1O 2188676970 DJPWVGAQTRFYPY-SDDRHHMPSA-N 298.726 0.257 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H]2C[C@@H](CO)[C@@H]2C1 2188868104 LZNIWEJCKUENAC-LPEHRKFASA-N 279.292 0.504 10 10 CCCE C[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)c1nc(O)n[nH]1 2188875125 OABDMCQVSKFFEC-SCSAIBSYSA-N 280.240 0.118 10 10 CCCE CC(C)[C@H](CNC(=O)c1cc(O)c(O)c(O)c1)C(=O)O 2188868842 XUBWANBWAPVEAZ-QMMMGPOBSA-N 283.280 0.890 10 10 CCCE O=C(N[C@@H]1C[C@@]2(C(=O)O)C[C@@H]12)c1cc(O)c(O)c(O)c1 2188867845 HSZYEOVKDNXWPB-NFNXHLSSSA-N 279.248 0.396 10 10 CCCE OCc1cc(F)c(N2C[C@H]3COC[C@@H](C2)[C@@H]3O)c(F)c1 2189043011 JGKHMSXBBGVHTK-MSRIBSCDSA-N 285.290 0.901 10 10 CCCE N=S1(=O)CC2(CN(C(=O)Cc3ccc(O)c(O)c3)C2)C1 2182738197 PMRNDBJEUGTYTF-UHFFFAOYSA-N 296.348 0.529 10 10 CCCE NC(=O)COC1CN(c2ccc3c(c2)CCC[C@H]3N)C1 2184684608 OKBJVWMOGKCWHZ-CQSZACIVSA-N 275.352 0.713 10 10 CCCE Oc1ccc(CCN[C@@H]2C[C@@H]3NCCO[C@H]3C2)cc1O 2185355724 NZVVOOKTOGIODX-XUJVJEKNSA-N 278.352 0.749 10 10 CCCE COc1ccc(N2CC[C@@H]3OCC(=O)N[C@H]3C2)c(N)c1 2185513944 ZIWFPKLHOKHCHU-AAEUAGOBSA-N 277.324 0.371 10 10 CCCE CC1CC(CO)(NC(=O)c2ccc(O)c(O)c2)C1 2045150832 FKJSASIDOGRHCN-UHFFFAOYSA-N 251.282 0.989 10 10 CCCE NC[C@@H]1C[C@H](F)CN1C(=O)CCOc1ccc(N)cc1 2191674083 LHPJIFXMSLMLTG-JQWIXIFHSA-N 281.331 0.935 10 10 CCCE N[C@@H]1C[C@H](O)CN(Cc2cc(F)cc(F)c2O)C1 2049113059 GKDKTNVMVNDTFH-ZJUUUORDSA-N 258.268 0.564 10 10 CCCE C[C@@H]1C[C@H](N)CN1S(=O)(=O)CCOc1ccc(N)cc1 2191772901 WNHKAPGMRLLETC-PWSUYJOCSA-N 299.396 0.399 10 10 CCCE CN(CCCN=[N+]=[N-])CC1(O)CCS(=O)(=O)CC1 2050456042 MLKSYFBSCLRBTI-UHFFFAOYSA-N 276.362 0.558 10 10 CCCE NC(=O)[C@@H]1OCC[C@H]1NCc1cc(F)ccc1O 2053779564 IKFXGPVTBHGYCJ-MWLCHTKSSA-N 254.261 0.264 10 10 CCCE COCCN(C(=O)c1ccc(O)c(O)c1)C1CNC1 2103922951 ZKDLUCDTAGJXMD-UHFFFAOYSA-N 266.297 0.158 10 10 CCCE COc1cccc(O)c1CN1C[C@H](OC)[C@H](N)C1 2058765118 WKGNOKIHGMCRQZ-MFKMUULPSA-N 252.314 0.559 10 10 CCCE Cc1cc(N2C[C@@H](O)[C@H](O)C2(C)C)ccc1CN 2060875000 MCDHLQZCXGQIMA-OLZOCXBDSA-N 250.342 0.774 10 10 CCCE Nc1ccc(NC(=O)NCC[C@H](N)C(=O)O)cc1 2071567154 PUSOZEHGKFOBBC-VIFPVBQESA-N 252.274 0.192 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@H]2C=CCNC2)cc1 2071728561 GUCXYKQGXSJDSC-LBPRGKRZSA-N 267.354 0.216 10 10 CCCE CN(C[C@@H]1COCCO1)c1ccc(CO)c([N+](=O)[O-])c1 2188575882 KIJNGRFTKBBVSA-GFCCVEGCSA-N 282.296 0.939 10 10 CCCE O=C1CC2(CN1)CN(c1ccc(CO)c([N+](=O)[O-])c1)C2 2188576804 PPQURNJIPBZAFM-UHFFFAOYSA-N 277.280 0.413 10 10 CCCE COC(=O)[C@@H](C)NC(=O)N(C)Cc1ccc(N)cc1 2100777405 FIOQMRGSBSGJJJ-SECBINFHSA-N 265.313 0.972 10 10 CCCE C[C@@H](c1c(O)cccc1O)N1CC(O)(C(=O)O)C1 2081048491 CQSROGANRCLHEH-ZETCQYMHSA-N 253.254 0.290 10 10 CCCE Nc1ccc(CS(=O)(=O)NC[C@@H]2CC[C@@H]2O)cc1 2084663417 FCPJLUOYWAOEGK-JQWIXIFHSA-N 270.354 0.459 10 10 CCCE Oc1cccc(CN[C@H]2CCn3ncnc3C2)c1O 2108915060 MLOCSRURBUQTMI-JTQLQIEISA-N 260.297 0.794 10 10 CCCE Nc1ccc(CCCN2CC[C@H](O)[C@@H](CO)C2)cc1 2090612561 JQTUKVHWRZNNGQ-HIFRSBDPSA-N 264.369 0.877 10 10 CCCE CN(C)c1ccc([C@H](O)C(=O)c2cn(C)nn2)cc1 2090854042 IDDSNMVFHHMFIO-LBPRGKRZSA-N 260.297 0.797 10 10 CCCE COc1ccc(N(CCCN)C[C@@](C)(O)CO)cc1 2111785378 OUVDSAWVXPHHBY-CQSZACIVSA-N 268.357 0.594 10 10 CCCE CCN[C@H]1C(=O)Nc2cc(N3CC[C@H]3CO)ccc21 2092556138 TXXDMOGLTLXERY-GXFFZTMASA-N 261.325 0.860 10 10 CCCE O=C1Nc2cc(N3C[C@H](O)[C@H](F)C3)c(Cl)cc2[C@@H]1O 2092767531 HBSMYBDRZZWZME-GGVZMXCHSA-N 286.690 0.845 10 10 CCCE O=C(NCC[C@H]1CCCCN1)c1cc(O)nc(O)c1 2093355709 CCOWHCHKCUMBBA-SNVBAGLBSA-N 265.313 0.755 10 10 CCCE N[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CC12CC2 2095829410 PHFHEKKFEQYKJN-GFCCVEGCSA-N 262.309 0.590 10 10 CCCE COc1ccc(O)c([C@H](C)N2CC(CO)(C(=O)O)C2)c1 2201059836 OAEKTXNHCIZTPB-VIFPVBQESA-N 281.308 0.841 10 10 CCCE CN(CCCN=[N+]=[N-])Cc1nc(CS(C)(=O)=O)no1 2113516990 VVTXSUBCXHVIAO-UHFFFAOYSA-N 288.333 0.746 10 10 CCCE O=C1OC[C@H]2CN(c3ccc(CO)cc3F)CCN12 2114273363 AYTNPLIFYRAAQW-SNVBAGLBSA-N 266.272 0.959 10 10 CCCE C[C@H](O)c1cc(F)c(N2C[C@H](O)[C@@H](O)[C@H]2CF)c(F)c1 2205592752 YUFBYULZFNUVNR-SHGJWOQOSA-N 291.269 0.898 10 10 CCCE COCC12CC(NC(=O)c3cccc(O)c3O)(CO1)C2 2206039318 JQNPGTZNBGOCJS-UHFFFAOYSA-N 279.292 0.776 10 10 CCCE COc1cc(N(CCO)CCCO)ccc1CN 2218951539 YTWGPMCCPUALAL-UHFFFAOYSA-N 254.330 0.335 10 10 CCCE CNCc1cc(OC)ccc1N1C[C@@H](O)[C@H](F)C1 2220418878 FQCMVQFOIALTPA-DGCLKSJQSA-N 254.305 0.934 10 10 CCCE CNCc1ccc(N2C[C@H](O)[C@H](O)[C@@H]2COC)c(C)c1 2234069818 CFJGSWPMZQEANT-SOUVJXGZSA-N 280.368 0.271 10 10 CCCE COc1cccc(O)c1CN1C[C@@H]2CN[C@@H](CO)[C@@H]2C1 2235567097 JDOQKPQGMDTZSA-LOWVWBTDSA-N 278.352 0.413 10 10 CCCE NC(=O)[C@@]1(O)CCN(c2ccc3c(c2)CCCO3)C1 2226662714 OLMFQAUFUOXHKK-CQSZACIVSA-N 262.309 0.438 10 10 CCCE CCOc1ccc(N2CC[C@@](O)(CO)[C@H](O)C2)cc1 2226752121 HQJOXXXTSXKRLL-ZIAGYGMSSA-N 267.325 0.380 10 10 CCCE CCOC[C@H](N)C(=O)NCc1cnc(SC)s1 2248604651 ZIVTTWIEFBTCCW-QMMMGPOBSA-N 275.399 0.845 10 10 CCCE O=C(O)[C@@H]1CC[C@H](O)CN1Cc1ccc(O)cc1O 2264526859 VBRGKNMBOAVMKV-QWRGUYRKSA-N 267.281 0.508 10 10 CCCE Cn1c(=O)c(F)c(O)n(Cc2ccc(N)cc2)c1=O 2265848289 RYUYBJZLPXKFDU-UHFFFAOYSA-N 265.244 0.022 10 10 CCCE COc1cccc(O)c1CN1C[C@H](O)CC[C@@H]1C(=O)O 2279206239 JIDHJHLPVXLHSP-MWLCHTKSSA-N 281.308 0.811 10 10 CCCE Nc1ccc(OCCC(=O)NC2CC(O)(CO)C2)cc1 2284569577 CKGNCELPMGICGM-UHFFFAOYSA-N 280.324 0.040 10 10 CCCE CN1C(=O)NC(=O)C(=CNc2cccc(C(=O)O)c2)C1=O 2297506323 BBJVXZMHLQEDQT-UHFFFAOYSA-N 289.247 0.389 10 10 CCCE CC1(C)C(=O)NC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 1148590171 DCGYETISSRXCIY-SECBINFHSA-N 280.280 0.058 10 10 CCCE CN(Cc1ccccc1O)[C@@](CN)(CF)C(=O)O 2325386205 JYDUQGJNAXHVHW-GFCCVEGCSA-N 256.277 0.576 10 10 CCCE Cc1cnc([C@](C)(NCCN=[N+]=[N-])C(N)=O)c(C)n1 2336549147 RDWSYMBWSZKFJL-NSHDSACASA-N 263.305 0.694 10 10 CCCE CCOC[C@@H](O)CN1CCc2cc(O)c(O)cc2C1 2341214895 QLBUIXIKJSAXSY-LBPRGKRZSA-N 267.325 0.853 10 10 CCCE COc1ccc(N(C)C2(C(=O)O)CS(=O)(=O)C2)cc1 2345882293 CLRPEYYVNMMXNA-UHFFFAOYSA-N 285.321 0.383 10 10 CCCE CSc1cc(N2C[C@@H](CO)[C@@H](CO)C2)ccc1CN 2353852258 SOSKHVWSXGFFBW-TXEJJXNPSA-N 282.409 0.904 10 10 CCCE COCCNC(=O)CNCc1cccc(F)c1O 135889843 FTWPJRNAHBLVTC-UHFFFAOYSA-N 256.277 0.384 10 10 CCCE C[C@@H](C[S@@](C)=O)NCc1ccc(O)c(O)c1O 235129881 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10 10 CCCE O=C(NCCNCc1ccc(O)c(O)c1)C1CC1 130680782 XESZVFQNHKEDRP-UHFFFAOYSA-N 250.298 0.714 10 10 CCCE O=S(=O)(Nc1ccc(O)c(Cl)c1)N1CCNCC1 232402174 FFNLUKUHMYJSNU-UHFFFAOYSA-N 291.760 0.608 10 10 CCCE CNCc1ccc(N2CC(=O)NC(=O)[C@@H]2C)cc1C 97295355 UUQDBIFDKWUQBB-JTQLQIEISA-N 261.325 0.566 10 10 CCCE Nc1ccc(OC[C@@H](O)CSC[C@H](O)CO)cc1 93957565 SXFTXJGCTVTALE-GHMZBOCLSA-N 273.354 0.095 10 10 CCCE CNC[C@@]1(O)CN(C)c2cc(OC)c(OC)cc21 527416412 KVSKZYCXJOKTNX-CYBMUJFWSA-N 252.314 0.561 10 10 CCCE COCCOc1cccc(CC(=O)OCC(=O)C(C)=O)c1 808529604 MSUAWLPNLVQZPO-UHFFFAOYSA-N 294.303 0.956 10 10 CCCE N[C@@H](c1ccc(N2CCCC2)cc1)C1(O)CS(=O)(=O)C1 2163230271 QJLLSRRUSHNEKI-ZDUSSCGKSA-N 296.392 0.446 10 10 CCCE Nc1cc2c(cc1N1CC([C@@H](F)CO)C1)NC(=O)CO2 2166910414 WFYYCEOXYRDRLU-QMMMGPOBSA-N 281.287 0.366 10 10 CCCE C[C@H]1CN(C(=O)c2cc(O)nc(O)c2)C[C@H]1CCN 723920438 TXBJGEIUTHTLGC-DTWKUNHWSA-N 265.313 0.550 10 10 CCCE O=C1N[C@H](C(=O)NCCCSc2nccs2)CO1 823297306 BMQMVQXTTTZWLI-ZETCQYMHSA-N 287.366 0.850 10 10 CCCE CN(C1CC1)S(=O)(=O)NCc1c(O)cccc1F 921452257 JGRJKIVPUFBWBH-UHFFFAOYSA-N 274.317 0.960 10 10 CCCE COc1ccc(N2CC[C@@H](NC(=O)N[C@@H](C)CN)C2)cc1 851664241 UWHARTIGDXLTFU-NWDGAFQWSA-N 292.383 0.920 10 10 CCCE COc1cccc(CNCC2(N)CCOCC2)c1O 863481624 KQCBMAFBUBHIDJ-UHFFFAOYSA-N 266.341 0.998 10 10 CCCE NC(=O)C[C@@H](N)c1nnc(-c2cccc(O)c2O)o1 83462704 RCOYGBZKILHVCE-ZCFIWIBFSA-N 264.241 0.023 10 10 CCCE N[C@H](c1nnc(/C=C/C(=O)O)o1)c1cccc(O)c1O 83578784 PAPRTWYHLIQNHS-YEZKRMTDSA-N 277.236 0.627 10 10 CCCE CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1OCC[C@@H]1N 703176917 DZNOGHDJGNWQCJ-UONOGXRCSA-N 277.368 0.827 10 10 CCCE Oc1c(F)cc(F)cc1CN[C@H]1COCC[C@H]1O 708420208 GJMVQUYTIXEFNW-WDEREUQCSA-N 259.252 0.910 10 10 CCCE CN(C(=O)Nc1ccc(N)cc1)[C@H]1COC[C@@H]1O 709474314 AKYBAJWPKOUIBG-QWRGUYRKSA-N 251.286 0.492 10 10 CCCE CCN(CC(=O)N1CCN(C)CC1)c1ccc(N)cc1 63115046 BULSUDHIWIIBAR-UHFFFAOYSA-N 276.384 0.869 10 10 CCCE Nc1ccc(OCCS(=O)(=O)N2CC(F)(F)C2)cc1 1917036956 YOAOTNHPEMGOGN-UHFFFAOYSA-N 292.307 0.928 10 10 CCCE O=C(O)[C@@H]1C=CCN1C(=O)Cc1ccc(O)c(O)c1 2120452415 RKMQBZGBEOBJOF-VIFPVBQESA-N 263.249 0.492 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CCO[C@@H](CF)C1 2132405240 XVKZCTHVGIOFML-QMMMGPOBSA-N 271.244 0.614 10 10 CCCE C[C@@H]1CNC[C@@H]1CNC(=O)c1cc(O)c(O)c(O)c1 2132409641 HGKCZBFXEADAJB-VXNVDRBHSA-N 266.297 0.389 10 10 CCCE CN1C(=O)C[C@@H](N2CCC[C@H](CN=[N+]=[N-])C2)C1=O 1912190929 LFTYGGOBGVCBMT-RKDXNWHRSA-N 251.290 0.766 10 10 CCCE CC(C)[C@@H](NC(N)=O)C(=O)N(C)CCCN=[N+]=[N-] 1912162930 CGUVXYOJPDRTRI-MRVPVSSYSA-N 256.310 0.838 10 10 CCCE Cn1cnnc1CNC(=O)c1ccc(N=NC(N)=O)cc1 1290708668 BODUWOMJFSZZCC-UHFFFAOYSA-N 287.283 0.908 10 10 CCCE CN(c1cc2c(cc1F)[C@H](O)C(=O)N2)[C@@H]1CCNC1=O 1916803082 PVUDNCWWNSMKJN-KOLCDFICSA-N 279.271 0.136 10 10 CCCE O=C(N[C@H]1CCCC12CNC2)c1ccc(O)c(O)c1 1918955123 HCAIJWHFXUGPCV-LBPRGKRZSA-N 262.309 0.970 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NCCc1cnoc1 1470181951 DIAGXODFMSDYQI-UHFFFAOYSA-N 262.265 0.987 10 10 CCCE CCOC(=O)C[C@@H](O)C(=O)NCc1ccc(N(C)C)cc1 1624401241 ATHHTHAJPXLHFB-CYBMUJFWSA-N 294.351 0.683 10 10 CCCE Cc1cc(N2C[C@H](O)C[C@H]2CN(C)C)ccc1CN 227978767 PMKVEXOKHDTHQP-LSDHHAIUSA-N 263.385 0.955 10 10 CCCE Nc1ccc(CS(=O)(=O)NC[C@H](N)C2CCC2)cc1 2137694167 FXSSZTNROXCUDL-ZDUSSCGKSA-N 283.397 0.816 10 10 CCCE CCNCc1ccc(N2CCNC(=O)C2)c(F)c1 34824147 FKJSFHMSDFTLSW-UHFFFAOYSA-N 251.305 0.871 10 10 CCCE Cc1cccc(CNCCS(=O)(=O)CC(=O)O)c1O 2139759885 LSORMNVJKBFKDK-UHFFFAOYSA-N 287.337 0.290 10 10 CCCE CN1C[C@H](NC(=O)/C=C\c2ccc(O)c(O)c2)CCC1=O 1772911298 SONIJUVNIWYXFI-ZTYXWKCZSA-N 290.319 0.848 10 10 CCCE COCCNC(=O)[C@@H](C)NCc1cc(F)ccc1O 234640895 RWROLJPIRZHDGG-SECBINFHSA-N 270.304 0.772 10 10 CCCE CN1C[C@@H](O)[C@H](NCc2cc(Cl)ccc2O)C1 1942693123 MEVJVGVHAQYIOA-ZYHUDNBSSA-N 256.733 0.810 10 10 CCCE C[C@@H](NCc1cc(F)ccc1O)C(=O)N1CCOCC1 235206416 PFPAUYQVXFTGRE-SNVBAGLBSA-N 282.315 0.868 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CCC12CCNCC2 2144028869 FPWITIBUOBKKPL-UHFFFAOYSA-N 276.336 0.995 10 10 CCCE CN(CCC1CNC1)C(=O)COc1ccc(N)cc1 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CNCc1cc(F)c(N2C[C@@H](O)[C@H](N(C)C)C2)c(F)c1 2146165151 ZZOBGUGCQSXZLG-CHWSQXEVSA-N 285.338 0.795 10 10 CCCE Nc1ccc(CC(=O)N2C[C@]3(CO)C[C@@]3(CO)C2)cc1 2146306671 ROZFWAJJNBECRY-GJZGRUSLSA-N 276.336 0.015 10 10 CCCE CN1CCc2cc(CNC3CC(NC(N)=O)C3)ccc21 2152872627 OHRZIGVCFFYCBY-UHFFFAOYSA-N 274.368 0.968 10 10 CCCE CO[C@H](C(=O)[C@H]1CCCC(=O)C1=O)[C@@H]1CCOC1 2032908748 MEXZZXXPHNWXCR-ZDMBXUJBSA-N 254.282 0.545 10 10 CCCE C[C@H](CC1CNC1)NC(=O)c1cc(O)nc(O)c1 2034005278 XCTPIVYPAXAJOH-SSDOTTSWSA-N 251.286 0.221 10 10 CCCE COc1cc2c(cc1OC)N([C@H]1CN(C)C[C@@H]1O)CC2 2156944577 XBKOKEDTLKAPJR-STQMWFEESA-N 278.352 0.741 10 10 CCCE C[C@H](c1ccccc1O)N(C)C(=O)C1(N)COC1 2035920417 PQAKGLKQQSTHPL-SECBINFHSA-N 250.298 0.639 10 10 CCCE COc1cc(N)c(N(CCO)C[C@H](C)O)cc1OC 311718954 OVDAMAZRFGYWSK-VIFPVBQESA-N 270.329 0.466 10 10 CCCE CC(C)(C)[C@H](O)CN(CC(N)=O)Cc1ccc(N)cc1 312404045 MQXLHGRJMJJTOL-CYBMUJFWSA-N 279.384 0.963 10 10 CCCE CCO[C@H]1CNC[C@@H]1C(=O)NCc1ccccc1O 690173501 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CN(C[C@]1(O)CCOC1)c1ccc2c(c1)NC(=O)[C@@H]2N 2185944768 QUQDCIDVWGRQLB-TZMCWYRMSA-N 277.324 0.226 10 10 CCCE Nc1ccc(OCCC(=O)N[C@@H]2CCNC[C@H]2F)cc1 2191755459 FEXKMPHWRLEQIW-CHWSQXEVSA-N 281.331 0.854 10 10 CCCE CN(C[C@@H]1CCN1)C(=O)c1cc(O)c(O)c(O)c1 2068620445 HUJHAQPXPYDEPN-QMMMGPOBSA-N 252.270 0.237 10 10 CCCE NCc1ccc2c(c1)CCN2CCCS(=O)(=O)O 2069542981 LWPYPJLIPYEYOS-UHFFFAOYSA-N 270.354 0.786 10 10 CCCE O=C(NC1(C(F)(F)F)COC1)c1cc(O)c(O)c(O)c1 2195222962 WPEXJOFVFWTOSP-UHFFFAOYSA-N 293.197 0.865 10 10 CCCE Nc1ccc(NC(=O)NC[C@@]2(O)CCNC2)cc1 2071566769 JRXLVCQDBJQBRQ-GFCCVEGCSA-N 250.302 0.115 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC3(CNC3)C2)cc1 2071736055 XPHZJIRXZNZXMR-UHFFFAOYSA-N 267.354 0.004 10 10 CCCE C[C@@H]1[C@@H](C)[C@@](NCCN=[N+]=[N-])(C(N)=O)CCN1C 2073368853 KTVGLPLKQPGYGB-FXPVBKGRSA-N 254.338 0.471 10 10 CCCE COc1cccc(CNC[C@@H]2CCNC2=O)c1O 2075993819 HNVKMOWFVCOQMU-JTQLQIEISA-N 250.298 0.627 10 10 CCCE O=C(O)[C@H]1C[C@@H](O)CN1Cc1c(O)cccc1F 2080573231 FINDOVFVTBGNPS-GMSGAONNSA-N 255.245 0.551 10 10 CCCE C[C@H](CO)S(=O)(=O)N(C)Cc1ccc(N(C)C)cc1 2101564420 JZFXNWAJJSESRG-LLVKDONJSA-N 286.397 0.895 10 10 CCCE O=S(=O)(NCc1ccccc1O)[C@H]1CC[C@H](CO)C1 2101572397 WZPQWZCRRDDWCR-JQWIXIFHSA-N 285.365 0.973 10 10 CCCE CN(C)c1ccc(CN=c2[nH]nc(CCN)o2)cc1 2104179157 VZVNPRXLPIPNLR-UHFFFAOYSA-N 261.329 0.671 10 10 CCCE Nc1ccc(OCC(=O)N[C@H]2CC[C@H](CO)C2)cc1 2090019000 RYEXHWKZILPMTM-JQWIXIFHSA-N 264.325 0.925 10 10 CCCE CCn1cc([C@](C)(O)[C@H](N)c2ccccc2O)nn1 2091861834 CUIOSUVIUOYJMZ-OLZOCXBDSA-N 262.313 0.911 10 10 CCCE CNCc1ccc(N2C[C@@H](CCO)[C@@H](CO)C2)cc1 2093500893 GAQIIMCVSMESHP-ZIAGYGMSSA-N 264.369 0.833 10 10 CCCE CC(C)(O)COCCNC(=O)c1cc(O)nc(O)c1 2099129544 NKRQZRJXFSVSFL-UHFFFAOYSA-N 270.285 0.010 10 10 CCCE CNC(=O)[C@H]1CNCCN1c1ccc(OC)c(F)c1F 2201642266 NEAOGRWQPATOGB-SECBINFHSA-N 285.294 0.498 10 10 CCCE CO[C@@H]1CN[C@@H](C(=O)NCc2ccccc2O)[C@H]1OC 2205446933 VXMJCZMMNCADSH-UPJWGTAASA-N 280.324 0.010 10 10 CCCE C[C@@H](CO)S(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1 2220608260 QBWULUUCLQBZIG-LURJTMIESA-N 276.270 0.423 10 10 CCCE CN[C@@H](C)c1ccc(N2CC(=O)NC(=O)C2)c(C)c1 2232091894 MCLBGZADWVCNSW-JTQLQIEISA-N 261.325 0.738 10 10 CCCE CC1(C)C[C@@H](S(N)(=O)=O)CN1c1ccc(N)cc1 2223260192 GLQZAUCRPHUAQL-LLVKDONJSA-N 269.370 0.915 10 10 CCCE Cc1cc([C@@H](C)N)ccc1N1C[C@@H](CO)[C@@H](O)C1 2223927797 JZAASXZVMKKDKM-OSMZGAPFSA-N 250.342 0.804 10 10 CCCE COC[C@@H]1[C@@H](O)[C@@H](O)CN1c1cc(C)c(OC)cc1C 2235112477 HCFORETUDNJVHU-VNHYZAJKSA-N 281.352 0.869 10 10 CCCE C[C@]1(C(=O)C(=O)C[C@H]2C[C@H](N)C2)CNCC1(F)F 2263713095 QOHYRYLUESFIQV-SOCHQFKDSA-N 260.284 0.497 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@H](O)CN1 2264583445 HYECDURWZGWSDF-RYUDHWBXSA-N 264.325 0.464 10 10 CCCE C[C@@H](NC(=O)[C@H]1CCOCCN1)c1ccccc1O 2269861197 WHOBOQNWZLYZMB-ZYHUDNBSSA-N 264.325 0.948 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N3CCO[C@@H]4C[C@@H]43)cc21 2330204739 LYTQYGYMRSEKMD-XQQFMLRXSA-N 259.309 0.640 10 10 CCCE [N-]=[N+]=N[C@H]1CCC[C@H]1NC(=O)[C@H]1CC[C@@H](C(=O)O)O1 2333612257 KIQSXJRHBAWTFD-XAVMHZPKSA-N 268.273 0.966 10 10 CCCE CCN(CCN=[N+]=[N-])Cc1cc(=O)n(C)c(=O)n1C 2337778456 WXEIUAANDOPQQT-UHFFFAOYSA-N 266.305 0.216 10 10 CCCE CS(=O)(=O)CC[S@@](=O)CCc1ccc(N)cc1 111006238 LRITYSIAHQWYAL-MRXNPFEDSA-N 275.395 0.605 10 10 CCCE N[C@H]1C[C@@H]2C[C@H](C1)N(C(=O)Cc1ccc(O)c(O)c1)C2 2357170191 NQTPDRSLXSDJQY-GRYCIOLGSA-N 276.336 0.979 10 10 CCCE C[C@H](NC(=O)Nc1ccc(N)cc1)C(=O)N(C)C 42574359 FPRWWASGJZHIAH-QMMMGPOBSA-N 250.302 0.867 10 10 CCCE C[C@H]1CCN(C(=O)c2ccc(O)c(O)c2)[C@@H]1CN 235662190 ASBSOBVCJRSASX-WCBMZHEXSA-N 250.298 0.907 10 10 CCCE CC(C)(C)OC(=O)N[C@@H](C(=O)O)[C@H](O)CN=[N+]=[N-] 144696188 FXCAVYOPVJYKHA-PHDIDXHHSA-N 260.250 0.636 10 10 CCCE C[C@@H]1CO[C@@H](CO)CN1c1ccc2c(c1)N(C)C(=O)[C@H]2N 251932031 YUXYOWAAIFAZEK-UDZFHETQSA-N 291.351 0.249 10 10 CCCE CNC(=O)[C@H]1CNCCN1c1ccc(OC)c(OC)c1 2162634720 CQVTZOFPAZUFEU-LLVKDONJSA-N 279.340 0.228 10 10 CCCE COc1ccc(N2CCN[C@H]3CS(=O)(=O)C[C@@H]32)c(C)c1 2162675110 JGVUDLOFBLCFGJ-JSGCOSHPSA-N 296.392 0.579 10 10 CCCE C[C@H](O)c1ccc(N2CC(NC(N)=O)C2)c([N+](=O)[O-])c1 2163219995 ORCYQTYYCGTTGM-ZETCQYMHSA-N 280.284 0.505 10 10 CCCE O=C(NCCSCCO)c1ccc(O)c(O)c1 2299181973 HJOKVDZLPXMAHQ-UHFFFAOYSA-N 257.311 0.553 10 10 CCCE CNC(=O)CC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855228130 VTAPZLCXRBZBIO-NSHDSACASA-N 291.351 0.526 10 10 CCCE Cn1cc(CNC(=O)NCc2c(O)cccc2F)nn1 921896337 GNKRNWYQWYPAHE-UHFFFAOYSA-N 279.275 0.659 10 10 CCCE CCOC(=O)NCC(=O)N1Cc2cccc(O)c2C1 871198967 QFPDUHRSKDNSJN-UHFFFAOYSA-N 264.281 0.981 10 10 CCCE Cc1ccc([C@@H](N)C(=O)NCc2ncc[nH]2)c(O)c1 83439831 VSOHJZGUWYJSAX-GFCCVEGCSA-N 260.297 0.740 10 10 CCCE [N-]=[N+]=CC(=O)c1ccc2c(c1)CCCS2(=O)=O 84584433 ZXNVRVYTVPNPFY-UHFFFAOYSA-N 250.279 0.890 10 10 CCCE Nc1ccc(CC(=O)N2CCC[C@H]2c2nn[nH]n2)cc1 720612067 IKVCDUYGCKBHSS-NSHDSACASA-N 272.312 0.688 10 10 CCCE CN(C)c1ccc(CNC(=O)[C@@H]2OCC[C@H]2CN)cc1 715308410 MVOJVCFOTUDWIE-GXTWGEPZSA-N 277.368 0.733 10 10 CCCE O=C(N[C@@H](CO)CC(F)(F)F)c1cc(O)nc(O)c1 717757409 AAPNRSLVMYVLQR-ZCFIWIBFSA-N 280.202 0.536 10 10 CCCE Cn1cc(S(=O)(=O)N2CCC[C@H]2CN=[N+]=[N-])cn1 692805389 DDZROSZFXZCBGJ-QMMMGPOBSA-N 270.318 0.884 10 10 CCCE Nc1ccc(NC(=O)CN2CCC=C[C@@H]2CO)cc1 2125951066 YFFQTICMCQPKGH-CYBMUJFWSA-N 261.325 0.830 10 10 CCCE Nc1ccc(CN=c2[nH]cnc(N)c2[N+](=O)[O-])cc1 2117256632 DFLGQRQOTACTTK-UHFFFAOYSA-N 260.257 0.583 10 10 CCCE Nc1ccc(CCNC[C@H]2[C@@H]3CS(=O)(=O)C[C@H]23)cc1 2118084393 QEJBPRCJDCMGGA-ZSOGYDGISA-N 280.393 0.692 10 10 CCCE CN1C[C@H]2C[C@H]1CN2CC(=O)Nc1ccc(N)cc1 2131013518 GZLPORZFSMLPRX-QWHCGFSZSA-N 260.341 0.596 10 10 CCCE CCC[C@H](CN)CNC(=O)c1cc(O)c(O)c(O)c1 2132399048 BRERUPXCWNHNEL-MRVPVSSYSA-N 268.313 0.908 10 10 CCCE C[C@@H]1CCO[C@H]1CNC(=O)c1cc(O)c(O)c(O)c1 2132407725 RBAOXIJXXXEHPS-HQJQHLMTSA-N 267.281 0.958 10 10 CCCE NC[C@@H]1CC=CCN1C(=O)c1cc(O)c(O)c(O)c1 2132402283 YKGMOPNPXYFDBB-VIFPVBQESA-N 264.281 0.533 10 10 CCCE CC(C)[C@@H](NC(N)=O)C(=O)N1CC[C@@H](CN=[N+]=[N-])C1 1912194245 SUADEFGJQJTKTP-DTWKUNHWSA-N 268.321 0.838 10 10 CCCE [N-]=[N+]=NCCN[C@]1(C(N)=O)CCOC12CCOCC2 1912187743 JHGXZXPDKJPJSO-NSHDSACASA-N 269.305 0.080 10 10 CCCE Oc1ccc(F)cc1CN[C@H]1COC[C@@H]1n1ccnn1 1615586190 QXBPDORPBKKNMA-RYUDHWBXSA-N 278.287 0.853 10 10 CCCE CN(CCNCCO)C(=O)c1ccc(N=NC(N)=O)cc1 1714805312 PQKOCXWUEVIYJD-UHFFFAOYSA-N 293.327 0.503 10 10 CCCE CS(=O)(=O)C1CN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 1639183951 RIVUXDVEBWPXQD-HWKANZROSA-N 297.332 0.366 10 10 CCCE O=C(/C=C/c1ccc(O)c(O)c1)N[C@H](CO)[C@@H]1CCOC1 1598038347 PHGQBUGSEUHOML-VNPHXJNISA-N 293.319 0.625 10 10 CCCE CC[C@@H](N)c1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CF)cc1 2140668322 ZYRBXCRPIGLDDW-RFGFWPKPSA-N 268.332 0.976 10 10 CCCE CN(C(=O)CCOc1ccc(N)cc1)[C@@H]1CC[C@@H]1N 1876446361 IBFJFWAOUPOXSA-QWHCGFSZSA-N 263.341 0.986 10 10 CCCE C[C@H]1CN(C(=O)CCOc2ccc(N)cc2)CCN1 1876450075 XFPRUALEOMORFM-NSHDSACASA-N 263.341 0.858 10 10 CCCE Nc1ccc(OCC(=O)NCc2cccnn2)cc1 236367802 DECPVUJZLFNLGD-UHFFFAOYSA-N 258.281 0.754 10 10 CCCE Nc1ccc(CN2CCCN(CC(=O)O)CC2)cc1 1891440803 WZTANPYHWKDFOS-UHFFFAOYSA-N 263.341 0.861 10 10 CCCE C[C@@H](CS(=O)(=O)N(C)C)NCc1ccc(N)cc1 1967979312 XGGCQODEPMOJBF-JTQLQIEISA-N 271.386 0.638 10 10 CCCE Cc1cc(CN)ccc1N1CCC[C@@H](OCC(N)=O)C1 2145380868 CZHYTNGOLLBNRD-CYBMUJFWSA-N 277.368 0.924 10 10 CCCE CCN[C@H]1C(=O)Nc2cc(N3CC[C@H]3C(N)=O)ccc21 2145613720 LWSKSOMLSMJMSA-NWDGAFQWSA-N 274.324 0.353 10 10 CCCE C[C@@]1(CCO)CN(Cc2ccccc2O)C(=O)CO1 257936522 KMGNKKMAYCRCHO-CQSZACIVSA-N 265.309 0.892 10 10 CCCE CCN=c1[nH]c2ncnc-2c(-c2ccn(C)c(=O)c2)[nH]1 2158502494 OQJQLBOTUAEGIL-UHFFFAOYSA-N 270.296 0.524 10 10 CCCE Nc1ccc(OCC(=O)N2CCC[C@H](CO)C2)cc1 40305160 GQYCVCPCUMXVML-NSHDSACASA-N 264.325 0.879 10 10 CCCE Nc1ccc(OCCN2CC[C@H](N3CC(O)C3)C2)cc1 2158750841 JCUWFVYRKQINMY-ZDUSSCGKSA-N 277.368 0.398 10 10 CCCE C[C@@H](NCC(F)(F)C(N)=O)c1ccc(O)cc1O 2029283063 JLYDNJICSSZOPY-ZCFIWIBFSA-N 260.240 0.869 10 10 CCCE C[C@H](N)c1ccc(N2C[C@@H](CO)C[C@@H]2CO)cc1 2029369225 KNNFBDUKEGESBF-COPLHBTASA-N 250.342 0.886 10 10 CCCE CN(C)C(=O)N1CCN(Cc2cc(N)ccc2O)CC1 401565314 AVKRDCGVYNMKDL-UHFFFAOYSA-N 278.356 0.774 10 10 CCCE COCC[C@H](CO)NC(=O)Cc1ccc(N)cc1 310579360 XPRZPBSZJWEISB-GFCCVEGCSA-N 252.314 0.325 10 10 CCCE CO[C@@H]1CN(C(=O)c2ccc(O)c(O)c2)[C@@H]2COC[C@@H]12 2158352531 HJNJRRLIESOFIS-GIPNMCIBSA-N 279.292 0.584 10 10 CCCE CC(=O)c1cc(F)cc(CN2CC[C@](O)(CO)C2)c1O 313689022 WGOWOTAVPHROFR-CQSZACIVSA-N 283.299 0.663 10 10 CCCE CC(C)C[C@H](NS(C)(=O)=O)C(=O)NCCCN=[N+]=[N-] 701274894 DQGCRNYGMXUEFH-VIFPVBQESA-N 291.377 0.767 10 10 CCCE CN(CCO)CCN(C)CC(=O)c1ccc(O)c(O)c1 701096817 ZKKFIVYPXKLWHB-UHFFFAOYSA-N 282.340 0.136 10 10 CCCE Cc1ccc([C@@H](C)N2CCN(CC(N)=O)CC2)c(O)c1 700790968 RQYWJBRUTPGJQV-GFCCVEGCSA-N 277.368 0.865 10 10 CCCE CN(C)C[C@@H](NC(=O)CCc1ccc(N)cc1)C(=O)O 702221073 IOSAKIDQNGIOOC-GFCCVEGCSA-N 279.340 0.332 10 10 CCCE CCN(CCN(C)C)C[C@H](O)COc1ccc(N)cc1 688243876 JHLOZOJBUHFKPI-AWEZNQCLSA-N 281.400 0.892 10 10 CCCE CN(CCn1cnnc1)c1ccc2c(c1)NC(=O)[C@@H]2O 707629460 AMYBJOJYCZIFBM-GFCCVEGCSA-N 273.296 0.400 10 10 CCCE C[C@@H]1[C@H]2CC[C@@H](C[C@@]1(NCCN=[N+]=[N-])C(=O)O)N2 686156626 OKBJQISCLYJQIA-LOKLDPHHSA-N 253.306 0.870 10 10 CCCE Cn1nnnc1CNCc1cc(Br)ccc1O 389306467 NMWUUWNGKNKREA-UHFFFAOYSA-N 298.144 0.968 10 10 CCCE CO[C@H]1COC[C@@H]1N(C)CC(=O)c1ccc(O)c(O)c1 2177283374 MPDLAVDEMOSTDS-HZMBPMFUSA-N 281.308 0.626 10 10 CCCE O=C(N[C@@H]1CCCN(CCO)C1)c1cccc(O)c1O 384441089 XXRKDACLHMGRAL-SNVBAGLBSA-N 280.324 0.284 10 10 CCCE CNCc1ccc(N2C[C@H](O)C[C@]2(C)CO)cc1 698213095 CJPFXRKYFCCKGU-ZIAGYGMSSA-N 250.342 0.728 10 10 CCCE OCc1cc(F)c(N2C[C@H]3C[C@@H](O)[C@@H](O)[C@H]2C3)c(F)c1 2173358582 WNGZHFKZFKSPQA-JTVTYRGJSA-N 285.290 0.778 10 10 CCCE CO[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CC[C@@H]1O 2180078747 AWZNIHBBYRUTRA-AAEUAGOBSA-N 281.308 0.249 10 10 CCCE C[C@@H](O)[C@H]1CN(c2ccc([N+](=O)[O-])c(CO)c2)CCO1 2174153802 PBSRHEOOLLUKGY-NOZJJQNGSA-N 282.296 0.673 10 10 CCCE Nc1ccc(CCC(=O)NCC[C@H]2COC[C@@H]2O)cc1 2167628094 YBIOLMLRGSQSDC-JSGCOSHPSA-N 278.352 0.715 10 10 CCCE C[C@@H](c1ccccc1O)N(C)C(=O)[C@@H]1CN[C@H](C)CN1 2192568997 AMBMSUQGRJXHPX-MDZLAQPJSA-N 277.368 0.862 10 10 CCCE C[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)CC[C@H]1CN 2188908743 FQUOQENDHFFGOB-BDAKNGLRSA-N 280.324 0.860 10 10 CCCE Nc1ccc(CCCN2CC3(C2)OC[C@H](O)[C@@H]3O)cc1 2183635171 XQIBRKDBCNAXKU-KBPBESRZSA-N 278.352 0.008 10 10 CCCE N[C@H]1CCc2cc(N3CCN(CCO)C(=O)C3)ccc21 2184739567 ITLNVCOEXPGPEN-AWEZNQCLSA-N 275.352 0.274 10 10 CCCE N[C@@H](Cc1nccs1)C(=O)C(=O)C[C@H]1C[C@H](N)C1 2052247058 RWRPHFRFTIAGBN-CIUDSAMLSA-N 267.354 0.279 10 10 CCCE N=c1ccn(CC(=O)NCCOc2ccc(N)cc2)[nH]1 2191762759 YPSKDHFVDRVRHV-UHFFFAOYSA-N 275.312 0.073 10 10 CCCE CCO[C@@H]1CNCC[C@@H]1Nc1c(N)cccc1C(N)=O 2191708853 VXPULFIOAGDXSH-NWDGAFQWSA-N 278.356 0.547 10 10 CCCE CC[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)[C@H](C)N 2068623283 FQGIYXLYYBURBA-POYBYMJQSA-N 254.286 0.659 10 10 CCCE CN(CCC(=O)O)S(=O)(=O)NCc1ccc(N)cc1 2106173914 VOYOPMNCTBFBCP-UHFFFAOYSA-N 287.341 0.010 10 10 CCCE C[C@@H](c1c(O)cccc1O)N1CC(OCC(=O)O)C1 2088564946 SSOGNIZVKOPCHG-QMMMGPOBSA-N 267.281 0.944 10 10 CCCE NCc1ccc(N2C[C@@H]3CCS(=O)(=O)[C@H]3C2)cc1F 2088820088 RCUFCOATHPYAKL-GWCFXTLKSA-N 284.356 0.908 10 10 CCCE C[C@H](O)c1ccc(N2C[C@@H](O)[C@H](N(C)C)C2)c(F)c1 2089923935 RTSVPFZWFSSNKQ-CUOATXAZSA-N 268.332 0.990 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)[C@H]1Cc2nncn2C1 2111428895 WXYZEWXLELJWLH-IUCAKERBSA-N 261.289 0.752 10 10 CCCE CO[C@@H](C)[C@H](N)C(=O)NCCc1ccc(O)c(O)c1 2091739653 AMOIRLQXGYIKON-UFBFGSQYSA-N 268.313 0.119 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)N[C@@H]1CCOC1 2091755815 PXTYFLCMSZQXKJ-SNVBAGLBSA-N 266.297 0.728 10 10 CCCE Cc1nc[nH]c1S(=O)(=O)NCCc1ccc(N)cc1 2093397890 GKGBNEJDZKSIJP-UHFFFAOYSA-N 280.353 0.821 10 10 CCCE C[C@@H](C1CNC1)N(C)C(=O)Cc1ccc(O)c(O)c1 2098265488 IBPMAHPZCGGPHI-VIFPVBQESA-N 264.325 0.707 10 10 CCCE COc1cccc(O)c1CN[C@@H]1CCO[C@@H]1C(N)=O 2117460633 RJILGAQRGATTKB-SKDRFNHKSA-N 266.297 0.133 10 10 CCCE COc1ccc(O)c(CN2CCC(CN)(CO)CC2)c1 2202907941 SBGSNDFMXOIDBV-UHFFFAOYSA-N 280.368 0.934 10 10 CCCE Nc1ccc(CS(=O)(=O)NC[C@@H]2[C@H]3CCNC[C@@H]32)cc1 2203631049 JUQQQWPXGFEKHJ-MELADBBJSA-N 295.408 0.544 10 10 CCCE Oc1cccc(CN[C@@H]2CCC[C@@H](O)[C@H]2O)c1O 2217641068 DEFDOOJLMGOOES-XWIASGKRSA-N 253.298 0.462 10 10 CCCE COc1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CF)c(C)c1 2219581981 PWNZLFMSDCGHAP-AVGNSLFASA-N 255.289 0.884 10 10 CCCE CNC(=O)CCN(C)c1ccc(OC)cc1CO 2220432963 YHHFAVRMGCKHJE-UHFFFAOYSA-N 252.314 0.760 10 10 CCCE Cc1cc([C@H](C)N)ccc1N1CC(=O)NC(=O)[C@H]1C 2232105575 DWNDQRWAOCXBHR-VHSXEESVSA-N 261.325 0.866 10 10 CCCE CC1(C)COc2ccc(N3C[C@H](O)[C@@H](O)[C@@H]3CO)cc21 2235045980 OSLGMGKQECTSRE-OBJOEFQTSA-N 279.336 0.259 10 10 CCCE CC(C)Oc1ccc(N2CC[C@](O)(CO)[C@H](O)C2)cc1 2235114273 ZFCAWISKXWVLBM-CABCVRRESA-N 281.352 0.768 10 10 CCCE COC[C@@H]1[C@@H](O)[C@@H](O)CN1c1ccc(CN)c(Cl)c1 2225700995 NYMQDOYPEUQTRS-FRRDWIJNSA-N 286.759 0.356 10 10 CCCE COc1ccc(N2CCN3CCOC[C@H]3C2)c(CO)c1 2236001721 IWCBNXNDZLOJHU-CYBMUJFWSA-N 278.352 0.708 10 10 CCCE C[C@@H](N)c1ccc(N2CCN3C(=O)COC[C@@H]3C2)cc1 2236941645 NEHSAFXLZIKPSH-RISCZKNCSA-N 275.352 0.754 10 10 CCCE NC(=O)C1(N2CCN(Cc3ccc(N)cc3)CC2)CC1 2236915039 PRBBGIRIXHYJEI-UHFFFAOYSA-N 274.368 0.404 10 10 CCCE COc1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CF)c(CN)c1 2227685744 JWKFVEPCZVDXQK-RWMBFGLXSA-N 270.304 0.034 10 10 CCCE CC(C)OC(=O)NS(=O)(=O)Nc1ccc(O)c(N)c1 2227843411 PWROGLCGBTUGMU-UHFFFAOYSA-N 289.313 0.766 10 10 CCCE COc1ccc(N2C[C@H](S(N)(=O)=O)CC2(C)C)c(N)c1 2239530414 IPXNRTZXDQPFON-SNVBAGLBSA-N 299.396 0.923 10 10 CCCE CC(=O)C(=O)C1(O)[C@H]2C[C@H]1CN(C(=O)OC(C)(C)C)C2 2241818460 ZABAWRCPYNJPHX-UWVGGRQHSA-N 283.324 0.762 10 10 CCCE CS(=O)(=O)C1CC(C(=O)N2CC[C@@H](N=[N+]=[N-])C2)C1 2257623907 URXMWGJEKCKCLU-QJAFJHJLSA-N 272.330 0.721 10 10 CCCE CSc1ncc(CNC(=O)[C@H]2C[C@@H](O)CN2)s1 2248609208 KAADHVYNKPENSQ-HTRCEHHLSA-N 273.383 0.204 10 10 CCCE CSc1ncc(CNC(=O)c2cnc(NN)nc2)s1 2269319481 VPWGAFDBLQSZOL-UHFFFAOYSA-N 296.381 0.871 10 10 CCCE CC(C)[C@@]1(NCc2ccc(O)c(O)c2O)CCNC1=O 2296483068 VVPKHIVIHLSTDG-AWEZNQCLSA-N 280.324 0.808 10 10 CCCE Cc1cc([C@H](C)O)ccc1N1CC2(CNC(=O)CO2)C1 2289657815 UUTXUJDVAKSGRL-NSHDSACASA-N 276.336 0.754 10 10 CCCE COc1cc(OC)c(N(CCO)CCO)cc1OC 584603086 MKYBGQCLJVKRRE-UHFFFAOYSA-N 271.313 0.503 10 10 CCCE O=C(N[C@@H]1C[C@H]2CNC[C@@H]1C2)c1ccc(O)c(O)c1 2329451067 YVBSSHUPFDFHBX-INTQDDNPSA-N 262.309 0.826 10 10 CCCE CS(=O)(=O)[C@H]1CC[C@@H]1NC(=O)c1ccc(O)c(O)c1 2342663416 WBDGVJGRYMBZRS-KWQFWETISA-N 285.321 0.403 10 10 CCCE CC(C)(C)OC(=O)[C@@H](N)Cc1cc(O)nc(O)c1 1951861263 UEUMUZMOIFJOQV-QMMMGPOBSA-N 254.286 0.704 10 10 CCCE CCOC(=O)[C@@](C)(N)c1cc(O)c(O)c(OC)c1 1952081888 UULQYFOSBCOPMR-LBPRGKRZSA-N 255.270 0.843 10 10 CCCE COC(=O)[C@@H](NCCCN=[N+]=[N-])c1cnn(C)c1 90259391 AJFYUVPLDXZGGT-VIFPVBQESA-N 252.278 0.924 10 10 CCCE CN1C(=O)[C@@H]2[C@@H](ON(C)[C@H]2c2ccccc2O)C1=O 248057176 SQAIYUMUMXUFBF-GARJFASQSA-N 262.265 0.294 10 10 CCCE CCn1nnc(CNCc2ccc(F)c(F)c2O)n1 1893034792 UAEVFSGJZYQLEV-UHFFFAOYSA-N 269.255 0.967 10 10 CCCE O=C(NCCCN1CCCC1=O)c1c(F)ccc(O)c1O 276450074 AUMRSTHRUUZCPW-UHFFFAOYSA-N 296.298 0.979 10 10 CCCE NC(=O)CC1CN(c2cc3c(cc2Cl)[C@@H](N)C(=O)N3)C1 723183729 XDPDYCNKBJJCCG-GFCCVEGCSA-N 294.742 0.604 10 10 CCCE CNCc1ccc(N2C[C@@H](CO)O[C@H](C)C2)cc1 299957001 QSYSTGAMVWVYBP-RISCZKNCSA-N 250.342 0.992 10 10 CCCE CC(=O)C(=O)COC(=O)c1ccc(CNC(N)=O)cc1 808496104 ANFGZXGGDMJFCT-UHFFFAOYSA-N 278.264 0.170 10 10 CCCE CN[C@@H](C)c1ccc(N2CC[C@H](C(N)=O)C2)cc1O 723171580 TVHRUEVDANLXBY-UWVGGRQHSA-N 263.341 0.984 10 10 CCCE COc1ccc(N2CC[C@H](NC(=O)[C@@H](C)N)C2)cc1 851640149 RHODNJLUFIXFIL-MNOVXSKESA-N 263.341 0.737 10 10 CCCE COC(=O)CN(C)c1cc2c(cc1N)OCC(=O)N2 692352998 HLNOLOHUPDWVJK-UHFFFAOYSA-N 265.269 0.209 10 10 CCCE Nc1ccc(CC(=O)N2CC[C@H](O)[C@H](F)C2)cc1 1355570158 GAPCCWNQCITGPE-NEPJUHHUSA-N 252.289 0.743 10 10 CCCE O=C1CSCN1CC(=O)N1Cc2cccc(O)c2C1 871197985 CGDSYHSEYOGEAF-UHFFFAOYSA-N 278.333 0.767 10 10 CCCE CC(=O)C(=O)COC(=O)c1ccc(CN2CCOCC2)o1 884963346 NHTCYVUFYXYKJC-UHFFFAOYSA-N 295.291 0.427 10 10 CCCE O=C(O)CCC(=O)[C@H]1NCCc2c1ccc(O)c2O 75793592 DKVKTVXGHCQVHT-LBPRGKRZSA-N 265.265 0.719 10 10 CCCE Cc1ccc(O)c([C@@H](C(=O)O)N2C(=O)C=CC2=O)c1 83443231 KCIIMDQNSTWQPF-LBPRGKRZSA-N 261.233 0.751 10 10 CCCE C[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)C[C@@H]1CO 708634890 ZAEMRQAKYRHUHD-VXNVDRBHSA-N 252.270 0.193 10 10 CCCE O=C(NO[C@@H](C(=O)O)C1CC1)c1ccc(O)c(O)c1 709011333 JSKOETHPGJGIHJ-SNVBAGLBSA-N 267.237 0.622 10 10 CCCE CCCN[C@@H]1CC[C@@H]1NC(=O)c1cc(O)nc(O)c1 2116669032 LQKKWVWFNZLNAN-ZJUUUORDSA-N 265.313 0.753 10 10 CCCE Nc1ccc(CCCN2C[C@@H]3NC(=O)O[C@H]3C2)cc1 2120394110 JLMXVZMJUWNWEA-STQMWFEESA-N 261.325 0.994 10 10 CCCE CO[C@@H]1COC[C@H]1NC(=O)COc1ccc(N)cc1 2120759042 PUHQNWDQLNMVHW-VXGBXAGGSA-N 266.297 0.178 10 10 CCCE CN[C@H](C1COC1)[C@@H](O)c1ccc2c(c1)CCN2C 2121527751 VKIJANKQYXXPNR-CABCVRRESA-N 262.353 0.947 10 10 CCCE N[C@@H]1CCc2cc(N3C[C@H]4C[C@H]3[C@H](O)[C@H]4O)ccc21 2128296160 QCLPIYXDUHSAHT-FCHWROMDSA-N 260.337 0.563 10 10 CCCE O=C1C[C@H](NC(=O)Cc2ccc(O)c(O)c2)CCN1 2129771061 JWDDUJKJIOCNCY-SECBINFHSA-N 264.281 0.035 10 10 CCCE C[C@H]1C[C@]1(NC(=O)c1cc(O)c(O)c(O)c1)C(=O)O 2132348402 KZYDNLHXAKCOCF-IXIIUGLYSA-N 267.237 0.396 10 10 CCCE C[C@H]1C[C@H](CN)CN1C(=O)c1cc(O)c(O)c(O)c1 2132414642 YZRIUCDWWWMIOT-JGVFFNPUSA-N 266.297 0.613 10 10 CCCE N[C@@H]1CCCN(C(=O)c2cc(O)c(O)c(O)c2)CC1 2132404267 QJVNASIIVJPWBX-SECBINFHSA-N 266.297 0.757 10 10 CCCE C[C@H](NC(=O)C=Cc1ccc(N(C)C)cc1)[C@H](O)CO 1911970694 BXOJQUNHHMZYFP-SMDDNHRTSA-N 278.352 0.624 10 10 CCCE [N-]=[N+]=NC1CN(S(=O)(=O)C2CCC(=O)CC2)C1 1912170958 DSRZSGFNJKMYLW-UHFFFAOYSA-N 258.303 0.822 10 10 CCCE CC[C@H](C)[C@@H](NC(N)=O)C(=O)N1CC[C@H](N=[N+]=[N-])C1 1912158343 WVEAEHQRGIWCFJ-XHNCKOQMSA-N 268.321 0.981 10 10 CCCE Cc1cc(=O)n(C(=O)CN2CC[C@@H](N=[N+]=[N-])C2)o1 1912197543 VSEHWFWZLHYFSD-MRVPVSSYSA-N 251.246 0.775 10 10 CCCE CCOC(=O)CC(C)(C)CC(=O)C(=O)CCc1nn[nH]n1 1449117296 GYYFHIZHKFZFDH-UHFFFAOYSA-N 296.327 0.640 10 10 CCCE C[C@H](O)c1cn(CC(=O)NCc2c(O)cccc2O)nn1 1456233958 GZABKXGYJXJPCH-QMMMGPOBSA-N 292.295 0.059 10 10 CCCE CN(c1cc2c(cc1Cl)[C@@H](N)C(=O)N2)[C@H]1CCNC1=O 1916802962 YFSZUFTXLLBLBA-GXSJLCMTSA-N 294.742 0.617 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CC[C@@H](O)C[C@@H]1CO 2136058117 KANPTMYBEJZQEA-NXEZZACHSA-N 267.281 0.056 10 10 CCCE Nc1ccc(OCC(=O)N2CCC[C@@H]2C(=O)O)cc1 1860080741 OCWDDZAVAGANFX-LLVKDONJSA-N 264.281 0.723 10 10 CCCE NCc1ccc(N2C[C@@H]3[C@H](C(N)=O)[C@@H]3C2)c(F)c1F 2136613426 KMGFSXSYYISXLT-DIYOJNKTSA-N 267.279 0.591 10 10 CCCE CN(C)C(=O)CCNC(=O)c1ccc(O)c(O)c1 226955144 YLZMFVMFJOVWAI-UHFFFAOYSA-N 252.270 0.306 10 10 CCCE COC(=O)[C@@H]1COCCN1C(=O)c1ccc(O)c(O)c1 227037429 QBDFFEHPQLEUBX-VIFPVBQESA-N 281.264 0.112 10 10 CCCE CNC(=O)c1noc([C@H](N)Cc2ccc(O)c(O)c2)n1 227234902 AARCERQQAORLOV-SSDOTTSWSA-N 278.268 0.083 10 10 CCCE C[C@H](NC(=O)c1nccnc1C(N)=O)c1ccccc1O 1648892345 WPPGZHCGHVWAMG-QMMMGPOBSA-N 286.291 0.772 10 10 CCCE CNCc1ccc(N2CC[C@@H]([C@](C)(O)CO)C2)cc1 2138105242 VAMKXDQDPGEDAX-UKRRQHHQSA-N 264.369 0.976 10 10 CCCE COc1cc(N2CC(=O)NC(=O)[C@@H]2C)ccc1CO 2139704564 NKNRWXKEIZLKEH-QMMMGPOBSA-N 264.281 0.039 10 10 CCCE COc1ccc(N2CCN(C[C@@H](O)CN)CC2)cc1 19390097 LXXPHAPUXMTXNM-ZDUSSCGKSA-N 265.357 0.137 10 10 CCCE C[C@@H]1CO[C@H](CN)CN1C(=O)c1cccc(O)c1O 126837818 SYTBDCPYJGXFMH-RKDXNWHRSA-N 266.297 0.286 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NC1CC(CCO)C1 1158836063 BJSCTJAVIMCLGC-UHFFFAOYSA-N 265.309 0.918 10 10 CCCE Nc1ccc(NC(=O)NCCO[C@@H]2CCNC2)cc1 1876150650 VREIKJIEDSIMRP-GFCCVEGCSA-N 264.329 0.769 10 10 CCCE C[C@H]1CCNC[C@H]1NC(=O)COc1ccc(N)cc1 1876513594 KVSXMIRSFLEWSB-GXFFZTMASA-N 263.341 0.762 10 10 CCCE CS(=O)(=O)[C@H]1C[C@H](NCc2ccc(N)cc2)C1 1944064446 MLLGBCNWFLCQRW-HAQNSBGRSA-N 254.355 0.934 10 10 CCCE C[C@@H](O)c1cc(F)c(N2CC[C@H](O)[C@H](O)C2)c(F)c1 1880478844 ISOAXIRZBXKPLO-VSYUYLJXSA-N 273.279 0.950 10 10 CCCE Cn1nnnc1[C@H](O)c1ccc(N2CCCC2)cc1 1885471081 YMTCYDUOVDNUFX-GFCCVEGCSA-N 259.313 0.892 10 10 CCCE C[C@H](C(=O)O)N1CCN(Cc2ccc(N)cc2)CC1 1891376881 CHNVMUPQLKZEMJ-LLVKDONJSA-N 263.341 0.860 10 10 CCCE O=C1NCCN1CCNCc1ccc(F)cc1O 1964544798 CCARTMLQMWAVQA-UHFFFAOYSA-N 253.277 0.646 10 10 CCCE O=C(O)[C@@]1(O)CCCN(Cc2cc(F)ccc2O)C1 1964722181 PYBDUOLAWKSVCK-CYBMUJFWSA-N 269.272 0.943 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NCC[C@H]1CCCN1 1969446904 WIPSPGTVYQKSTG-LLVKDONJSA-N 264.325 0.899 10 10 CCCE O=[N+]([O-])c1cc(CO)ccc1N1CC[C@@H](O)[C@H](F)C1 1971582468 ZFMRJUAZZMFYMC-BXKDBHETSA-N 270.260 0.996 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1C[C@@H](O)[C@H](C2CC2)C1 2146832038 ZLJXHHAXVCBXJG-SMDDNHRTSA-N 277.320 0.870 10 10 CCCE C[C@H]1COCCN1CC(=O)N(C)c1ccc(N)cc1 35773414 NBKFNDSOHOYDSI-NSHDSACASA-N 263.341 0.952 10 10 CCCE Oc1cc2c(cc1CNC[C@H]1C[C@@H](O)CCO1)OCO2 2154228950 OLMIOKVRMROTOA-WDEREUQCSA-N 281.308 0.750 10 10 CCCE Oc1ccc(CNCCO[C@@H]2CCOC2)c(O)c1 2027287028 NMRDIOVMDBNLIP-GFCCVEGCSA-N 253.298 0.993 10 10 CCCE CCNCc1ccc(N2CC[C@H]2C(N)=O)c(F)c1 2028914720 IXZXRZJKGLWOCJ-LBPRGKRZSA-N 251.305 0.999 10 10 CCCE CCN1C(=O)C[C@H](NCc2ccc3c(c2)CCO3)C1=O 2160556403 HSJVUAGQXZIIHJ-LBPRGKRZSA-N 274.320 0.859 10 10 CCCE CN1C[C@@H]2C[C@H](C1)CN2c1ccc2c(c1)NC(=O)[C@@H]2N 2160691886 UHBFHCGITBFVRJ-OLUVUFQESA-N 272.352 0.779 10 10 CCCE NCc1ccc(N2CC[C@@H]3C(=O)NC(=O)[C@@H]3C2)c(F)c1 2158784466 HEUJEOXKUDPYKC-VHSXEESVSA-N 277.299 0.383 10 10 CCCE CCCOc1cc(N2C[C@@H](O)[C@H](CO)C2)ccc1N 316126255 LYJMPBSYHUPTKC-GXFFZTMASA-N 266.341 0.847 10 10 CCCE COc1cccc(CN2CC[C@@](O)(CC(=O)O)C2)c1O 2160865042 NPCWXEXPLKOYQJ-CQSZACIVSA-N 281.308 0.812 10 10 CCCE Nc1ccc(CNC(=O)Cn2cccnc2=O)cc1 701014496 VFJCGOYFSABLCF-UHFFFAOYSA-N 258.281 0.142 10 10 CCCE CNCc1ccc(N2CC[C@H](NS(C)(=O)=O)C2)cc1 705529318 XDJRFBQRWYKYIX-LBPRGKRZSA-N 283.397 0.534 10 10 CCCE COc1cc(N)c(N2CCN(C)[C@H](CO)C2)cc1OC 687611080 BEJQROMVBXWEMA-JTQLQIEISA-N 281.356 0.399 10 10 CCCE CCNCc1ccc(N2CC3(CNC(=O)N3)C2)c(C)c1 2177697317 BDMPVGFRDMVGMF-UHFFFAOYSA-N 274.368 0.976 10 10 CCCE CCCn1cc([C@@](C)(NCCCN=[N+]=[N-])C(N)=O)nn1 715017374 RKDVKJVMJJRXOZ-LLVKDONJSA-N 280.336 0.679 10 10 CCCE CN(C(=O)c1cc(O)nc(O)c1)c1nc(C(=O)O)cs1 385468785 XOVVDYQAUXEUCG-UHFFFAOYSA-N 295.276 0.924 10 10 CCCE NCCC1(O)CCN(C(=O)c2ccc(O)c(O)c2)CC1 717976613 SKFSKQWGGIZXCW-UHFFFAOYSA-N 280.324 0.414 10 10 CCCE CN[C@H](C)c1ccc(N2C[C@H]3C(=O)NC(=O)[C@H]3C2)cc1 386898256 ZWQSRRNDBOBLSE-WQAKAFBOSA-N 273.336 0.676 10 10 CCCE CC[C@@H](NC(=O)c1cnn2c(O)cc(C)nc12)[C@H](C)O 2063158559 DZLBETSZMGJFGU-WCBMZHEXSA-N 278.312 0.633 10 10 CCCE CSc1ncc(CNC(=O)COCCN)s1 2243769205 TXMUTAPABPPDTR-UHFFFAOYSA-N 261.372 0.457 10 10 CCCE NC(=O)C[C@@H]1CCN(c2ccc(CO)c([N+](=O)[O-])c2)C1 2188573920 LSTUSHQUSFIHGB-VIFPVBQESA-N 279.296 0.789 10 10 CCCE O=C(NCCC1CCNCC1)c1cc(O)c(O)c(O)c1 2188916811 SCHKDWPXWREFAG-UHFFFAOYSA-N 280.324 0.923 10 10 CCCE O=C(N[C@H]1CC12CCNCC2)c1cc(O)c(O)c(O)c1 2188922235 FSIBTWGBQDTXCX-NSHDSACASA-N 278.308 0.675 10 10 CCCE NC(=O)[C@@]1(O)CCCN(c2ccc3c(c2)CC[C@H]3O)C1 2184734310 QZQJSNAAAXNKEP-UKRRQHHQSA-N 276.336 0.483 10 10 CCCE COc1cc(C(=O)N[C@H](C)CCO)cc(OC)n1 2048074157 DQDOCBYGUQYJFF-MRVPVSSYSA-N 254.286 0.600 10 10 CCCE O=[N+]([O-])c1cc(CO)ccc1N1CC(F)(CO)C1 2052727327 CDIQGZHBGIBPBC-UHFFFAOYSA-N 256.233 0.608 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@H]2C[C@H](N)C23CCC3)cc1 2191645578 OKMJJYDIYNBMRJ-QWHCGFSZSA-N 295.408 0.958 10 10 CCCE COc1cccc(O)c1CN1C[C@H](N)[C@H](OC)C1 2058765117 WKGNOKIHGMCRQZ-GXFFZTMASA-N 252.314 0.559 10 10 CCCE Oc1cccc(Cl)c1CN1C[C@@H](O)CC12CNC2 2066539868 YIRYHDNRHXRVEW-VIFPVBQESA-N 268.744 0.954 10 10 CCCE CN=c1nc(C(=O)N(C)Cc2ccccc2O)cc[nH]1 2192589417 JFDLUXIKWXZOOD-UHFFFAOYSA-N 272.308 0.918 10 10 CCCE CC1(N)CC(NS(=O)(=O)Cc2ccc(N)cc2)C1 2071701554 LFWNRBUBZOLMAV-UHFFFAOYSA-N 269.370 0.568 10 10 CCCE O=[N+]([O-])c1cc(N2CCO[C@H]3COC[C@H]32)ccc1CO 2192647155 JOAHBCQEWVGJMP-OLZOCXBDSA-N 280.280 0.691 10 10 CCCE CC1(C)OCCO[C@@H]1[C@H](NCCN=[N+]=[N-])C(=O)O 2076658487 YBSCCFNMJPVPSQ-JGVFFNPUSA-N 258.278 0.534 10 10 CCCE COCCN1C[C@H](O)[C@@H](N2CC[C@H](CN=[N+]=[N-])C2)C1 2100658734 MVGMYMBXGFIXIM-WOPDTQHZSA-N 269.349 0.310 10 10 CCCE C[C@@H](c1cc(F)ccc1O)N1CC(O)(C(=O)O)C1 2081034915 IRVCHOIYPCOMOB-ZETCQYMHSA-N 255.245 0.724 10 10 CCCE COc1ccc(N2CC[C@@H](O)[C@](C)(O)C2)c([N+](=O)[O-])c1 2201531443 YJYWTWBFXOCFGJ-CHWSQXEVSA-N 282.296 0.925 10 10 CCCE Cc1cc(CO)ccc1N1CC[C@@H](O)[C@@](C)(O)C1 2081765333 FFQVRRNYUHETFI-KGLIPLIRSA-N 251.326 0.809 10 10 CCCE CNCC(C)(C)CNC(=O)c1cc(O)nc(O)c1 2082420829 UKZNZBNZUANDJM-UHFFFAOYSA-N 253.302 0.468 10 10 CCCE Cc1ccc(CN[C@H]2[C@H]3CS(=O)(=O)C[C@H]32)c(O)c1 2084075100 IFCVPERYSVBBJJ-PTEHBNRSSA-N 267.350 0.833 10 10 CCCE CN1CCc2cc([C@H](O)[C@@H]3[C@@H]4NCCO[C@H]43)ccc21 2106806339 WAKASBZZBHVUCI-AJNGGQMLSA-N 260.337 0.699 10 10 CCCE CS(=O)(=O)COc1ccc(N2CCCNCC2)cc1 2107422893 JGXCKNSWQJMFAU-UHFFFAOYSA-N 284.381 0.867 10 10 CCCE CN(C)c1ccc([C@H](CS(=O)(=O)N(C)C)NN)cc1 2089483261 IJVHVOSRINWEGU-LBPRGKRZSA-N 286.401 0.148 10 10 CCCE CCn1ncnc1[C@H](O)[C@@H](NC)c1ccccc1O 2111728207 AVHNAGDTOFTDAY-NWDGAFQWSA-N 262.313 0.998 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@]12CC[C@H]1CNC2 2095024897 UAHRQRZSDRGHIT-HZMBPMFUSA-N 262.309 0.509 10 10 CCCE COc1ccc(N2CCOC[C@@H](N)C2)c([N+](=O)[O-])c1 2095855062 VAXDQMGHYMAKOK-VIFPVBQESA-N 267.285 0.767 10 10 CCCE CO[C@H](CN)C(=O)N(C)Cc1ccc(N(C)C)cc1 227362826 DLQGNJGXBLUESD-CYBMUJFWSA-N 265.357 0.685 10 10 CCCE N[C@H]1CO[C@]2(CCN(C(=O)c3ccc(O)c(O)c3)C2)C1 2201777530 IKPOZYKUOGUORC-QMTHXVAHSA-N 278.308 0.430 10 10 CCCE CCCN(Cc1ccc(N)cc1)[C@@H]1CC(=O)NC1=O 2114738819 ZPDQPVPVVCEBEU-GFCCVEGCSA-N 261.325 0.896 10 10 CCCE Cn1nc(Br)c(C(=O)N2CC(N=[N+]=[N-])C2)n1 2210977780 JQWLVMPZTWDDNT-UHFFFAOYSA-N 286.093 0.712 10 10 CCCE Cc1cccc(CNC(=O)[C@H](CN)[C@H]2CCOC2)c1O 2204620871 CQOIDZQNVSLYMD-QWHCGFSZSA-N 278.352 0.928 10 10 CCCE NCCC(CCN)NC(=O)CCOc1ccc(N)cc1 2205711174 VYHCGVBNNOZSNS-UHFFFAOYSA-N 280.372 0.220 10 10 CCCE C[C@H](CN)S(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1 2220606633 KXDAWQQHWUGWCB-ZCFIWIBFSA-N 275.286 0.389 10 10 CCCE [N-]=[N+]=NC1CCN(C(=O)[C@@H]2CC[C@H](C(=O)O)O2)CC1 2225793098 SPATYZUCAGBWOM-DTWKUNHWSA-N 268.273 0.920 10 10 CCCE 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CO[C@H](CNC(=O)c1ccc(O)c(O)c1)[C@@H]1CCOC1 2150212392 UQTSXGBBNKANBY-ZWNOBZJWSA-N 281.308 0.879 10 10 CCCE CO[C@@H]1CN(C[C@@H](O)COc2ccc(N)cc2)C[C@@H]1F 2146484829 QRAUXKKLMPDYHA-KWCYVHTRSA-N 284.331 0.677 10 10 CCCE CC(C)OCCNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 160382752 GWLQJBRQCXHRHH-NSHDSACASA-N 282.340 0.509 10 10 CCCE CCNC(=O)[C@H](C)NC(=O)CCc1ccc(N)cc1 38051717 PIXRZCNKSDLSTK-JTQLQIEISA-N 263.341 0.842 10 10 CCCE C[C@@H]1CCNC(=O)[C@@H]1CNC(=O)c1ccc(O)c(O)c1 2159267111 LVDDCBQNFSSVQM-PSASIEDQSA-N 278.308 0.600 10 10 CCCE O=C(O)[C@H]1CCN(C(=O)c2ccc(O)c(O)c2)O1 2035831301 LCCVMEOIOCMLLO-SECBINFHSA-N 253.210 0.329 10 10 CCCE Nc1ccc(OCCC(=O)N[C@H]2C[C@H]2CO)cc1 2039784368 LJLFSTNAHVJLLL-CABZTGNLSA-N 250.298 0.535 10 10 CCCE CN(C)[C@@H]1CC[C@@H]1NC(=O)c1ccc(O)c(O)c1 2039968676 UCAUSOXKWLPAER-VHSXEESVSA-N 250.298 0.920 10 10 CCCE N[C@@H]1CN(Cc2ccc(O)cc2O)[C@H]2COC[C@@H]12 2040556318 XWLDCMCFWPNBNJ-TUAOUCFPSA-N 250.298 0.256 10 10 CCCE COc1cc(N)c(N(C)CCNC(C)=O)cc1OC 308136226 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COC(CN(C)C(=O)COc1ccc(N)cc1)OC 714664987 HXAKVZWCLPASQV-UHFFFAOYSA-N 268.313 0.725 10 10 CCCE O=C([C@@H]1CNc2ccccc2N1)N1C[C@@H]2COC[C@H]2C1 718233817 HXAFVNCKDDAAJD-GYSYKLTISA-N 273.336 0.997 10 10 CCCE C[C@@H](CNCc1ccc(O)c(O)c1)S(C)(=O)=O 697620962 PNGTXPNVTUWFKE-QMMMGPOBSA-N 259.327 0.621 10 10 CCCE C[C@H](C[S@](C)=O)N(C)c1ccc2c(c1)NC(=O)[C@@H]2N 398898856 PZRYNLIOOSGFAP-JHRQNXEFSA-N 281.381 0.842 10 10 CCCE COC1(OC)CC[C@H]1CNC(=O)c1cc(O)nc(O)c1 2173380228 WGNNMDNUDDTJEA-VIFPVBQESA-N 282.296 0.622 10 10 CCCE CO[C@@H]1COC[C@H]1N(C)c1ccc2c(c1)NC(=O)[C@H]2O 2177265565 FEDGRQRGVQOSSQ-UPJWGTAASA-N 278.308 0.522 10 10 CCCE C[C@@H]1C[C@@H]1N(CCO)c1ccc2c(c1)N(C)C(=O)[C@H]2N 2167110198 UAFUYXFKVIRXLB-LQJRIPTKSA-N 275.352 0.870 10 10 CCCE NCc1ccc(N2CC[C@@]3(CNC(=O)N3)C2)c(F)c1F 2177695924 LPCZWKMLKJDLPY-CYBMUJFWSA-N 282.294 0.685 10 10 CCCE Nc1ccc(OC[C@H](O)CN2CCOC3(CC3)C2)cc1 2168298858 DJGRSIPDQHZJGT-CYBMUJFWSA-N 278.352 0.873 10 10 CCCE O=C(NCCN1CC2(COC2)C1)c1cccc(O)c1O 1148224755 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CCCE COCCN1C[C@@H](O)[C@H](OCc2ccc(N)cc2)C1 2100750526 URANDWIPHFERSZ-ZIAGYGMSSA-N 266.341 0.477 10 10 CCCE CCNCc1ccc(N2C[C@H](O)[C@H]3COC[C@@H]32)cc1 2102188190 DJQHGTQNYXEXBX-KKUMJFAQSA-N 262.353 0.992 10 10 CCCE COc1cccc(O)c1CN[C@@H](C(=O)O)C1COC1 2104891088 URKOSRBJCPSEDE-GFCCVEGCSA-N 267.281 0.590 10 10 CCCE COc1ccc(N2C[C@@H](N)C[C@@H](C(N)=O)C2)c(F)c1 2106381555 FIKUAVQYNUWGBH-BDAKNGLRSA-N 267.304 0.473 10 10 CCCE CCOc1cccc(CN[C@@H]2C[C@@H](O)C[C@@H]2O)c1O 2108797671 QFQVEEAMZUYYHV-UTUOFQBUSA-N 267.325 0.765 10 10 CCCE CCOc1cccc(CN[C@H]2COC[C@H]2CO)c1O 2090324104 GTPNXHYBTMXUDG-NEPJUHHUSA-N 267.325 0.888 10 10 CCCE COc1cc(Cl)cc(CN[C@@H]2CN(C)C[C@@H]2O)c1O 2090333804 LVDUSUZJAVNEHC-MNOVXSKESA-N 286.759 0.819 10 10 CCCE CO[C@@H]1COC[C@H]1OC(=O)COc1ccc(N)cc1 2090598956 KARFFOZPFWEABX-VXGBXAGGSA-N 267.281 0.605 10 10 CCCE N[C@@H]1C[C@H](O)CN(c2ccc3c(c2)OC(F)(F)O3)C1 2111799731 DPGFTQUETUGXAT-APPZFPTMSA-N 272.251 0.906 10 10 CCCE NC[C@@H](C(=O)NCCc1ccc(O)c(O)c1)C1CC1 2091748392 QJIWILLIWAGUGZ-LLVKDONJSA-N 264.325 0.741 10 10 CCCE CN[C@@H](c1ccccc1O)C1(O)CC(C(=O)OC)C1 2091867731 NSNLSEBMDCEFEW-PEUVISTOSA-N 265.309 0.967 10 10 CCCE COc1ccc(N(C)CCS(=O)(=O)N(C)C)c(N)c1 2094674988 BWOXJXPIXMOUCD-UHFFFAOYSA-N 287.385 0.605 10 10 CCCE O=C1Nc2cc(N3C[C@H]4C[C@@]4(CO)C3)c(F)cc2[C@@H]1O 2200843152 FKCYXLFFKVKWSE-UEXBWHTRSA-N 278.283 0.630 10 10 CCCE CCS(=O)(=O)CNC(=O)N1CC[C@@H](N=[N+]=[N-])C1 2213415712 XZGCXJYODBANMD-SSDOTTSWSA-N 261.307 0.473 10 10 CCCE COc1cc(N2[C@H](CO)C[C@H]3OCC[C@H]32)ccc1CO 2204553543 LIFQYBUDRLJHOQ-GZBFAFLISA-N 279.336 0.916 10 10 CCCE CS(=O)(=O)[C@@H]1COC[C@H]1N[C@H]1CCc2cccc(O)c21 2207457253 HBLJKRIUOJPZKT-DMDPSCGWSA-N 297.376 0.781 10 10 CCCE NC(=O)c1nc(CNCc2c(O)cccc2F)no1 2270250730 AQBDPAWEXLXHBO-UHFFFAOYSA-N 266.232 0.303 10 10 CCCE COc1ccc(N2CCC2(CO)CO)c(CO)c1 2220414351 LOOJLNPEULOJFG-UHFFFAOYSA-N 253.298 0.121 10 10 CCCE CO[C@H]1[C@H](CO)N(c2ccc([C@@H](C)O)cc2)C[C@H]1OC 2233351190 FHVRIJXZZTWPMI-KAOXEZKKSA-N 281.352 0.951 10 10 CCCE O=C(NC[C@H]1CO[C@H]2C[C@@H]1C2)c1cc(O)c(O)c(O)c1 2234712445 PRDGYFZZDZHTMS-UJNFCWOMSA-N 279.292 0.958 10 10 CCCE COc1ccc(N2C[C@@H]3CN[C@@H](CO)[C@H]3C2)c(OC)c1 2235555083 RXLVCHHCBUTWSV-DRZSPHRISA-N 278.352 0.720 10 10 CCCE COc1ccc(N2CC(C(N)=O)C2)c(CNC2CC2)c1 2235974575 YJOWHLCYIHDYPX-UHFFFAOYSA-N 275.352 0.869 10 10 CCCE Nc1ccc(CC(=O)NCc2[nH]ccc(=O)c2O)cc1 2239311422 PHJKIMVIFUKCHS-UHFFFAOYSA-N 273.292 0.522 10 10 CCCE CNC1(C(=O)NCc2cnc(SC)s2)COC1 2248611312 ODKVQGINKLBNHD-UHFFFAOYSA-N 273.383 0.470 10 10 CCCE CC(C)C[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)C(N)=O 2279134541 CRUZGTBLDXJFCJ-MRVPVSSYSA-N 282.296 0.433 10 10 CCCE Oc1ccc(CCNC2C[C@H]3COC[C@@H](C2)N3)cc1O 2296342023 SVINPFBNDIFOBZ-YHWZYXNKSA-N 278.352 0.749 10 10 CCCE COCCN(C[C@H](C)O)c1ccc(CO)c([N+](=O)[O-])c1 2287956242 CGBZEEZLEKCDGO-JTQLQIEISA-N 284.312 0.921 10 10 CCCE CCCNC(=O)CNC(=O)C=Cc1ccc(O)c(O)c1 2307987530 OUTLABPJNZVYSX-UHFFFAOYSA-N 278.308 0.753 10 10 CCCE CO[C@@]1(C)C[C@H]2C[C@@H]1C[C@@]2(NCCN=[N+]=[N-])C(N)=O 2331584112 SNESGTACRKOYTK-LSKIRQOJSA-N 267.333 0.945 10 10 CCCE C[C@H](NCCNS(C)(=O)=O)c1ccc(O)cc1O 20203223 GGDZYWNOEAXTRU-QMMMGPOBSA-N 274.342 0.298 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CCc2c(O)n[nH]c2C1 170190750 BFMACMAYVJIDQW-UHFFFAOYSA-N 291.263 0.431 10 10 CCCE Cn1nccc1S(=O)(=O)NCCCCN=[N+]=[N-] 231733741 PSHZDIYLIMMDPQ-UHFFFAOYSA-N 258.307 0.789 10 10 CCCE O=C(COCCO)NCc1ccc(N2CCCC2)cc1 188768868 VYZYKDLCXBQXPY-UHFFFAOYSA-N 278.352 0.912 10 10 CCCE N[C@@H](c1c(O)cccc1Br)[C@H](O)C(=O)O 1952191627 VQQOJGIBBWLDEJ-YUMQZZPRSA-N 276.086 0.600 10 10 CCCE O=C(CN1C(=O)CSC1=S)NCc1cccnc1 82308612 LTWIRSFKWUIJIO-UHFFFAOYSA-N 281.362 0.558 10 10 CCCE C[C@H](NC[C@@]1(O)CCOC1)c1cc(O)ccc1O 227120046 QVOAHMRCDOLJCN-ZANVPECISA-N 253.298 0.900 10 10 CCCE COc1cc(Cl)cc([C@H]2CNC(=O)CN2)c1O 1952358843 NXOPUVNULVWJSK-MRVPVSSYSA-N 256.689 0.815 10 10 CCCE COc1ccc(O)c(CN[C@H]2CCC(=O)NC2=O)c1 89752165 JTJPIZWMQAVMDN-JTQLQIEISA-N 264.281 0.296 10 10 CCCE O=C1NCCN[C@@H]1c1cccc(Br)c1O 96886540 XDKSQJIJFNAAIG-MRVPVSSYSA-N 271.114 0.915 10 10 CCCE CC(=O)NC1(C(=O)OCC(=O)C(C)=O)CCCCC1 808506715 QOLDBXHOBAQYRB-UHFFFAOYSA-N 269.297 0.527 10 10 CCCE CN(Cc1ccc(N)cc1)[C@@H]1CCN(CC(=O)O)C1=O 2162702642 ODRFGNICDNEVHL-GFCCVEGCSA-N 277.324 0.386 10 10 CCCE CN[C@@H](c1ccc(N(C)C)cc1)[C@]1(O)CCS(=O)(=O)C1 2163127375 OHUACKBJKGPROT-KBPBESRZSA-N 298.408 0.563 10 10 CCCE CC(=O)C(=O)COC(=O)CCc1cnn(C)c1C 808531600 UPKAOHNQNYWQOO-UHFFFAOYSA-N 252.270 0.362 10 10 CCCE CO[C@H]1C[C@H](O)CN(CC(=O)Nc2ccc(N)cc2)C1 2165322551 LCKGXRFKZIBFMT-STQMWFEESA-N 279.340 0.289 10 10 CCCE C[C@@]1(CO)CCCN1c1ccc2c(c1)NC(=O)[C@@H]2N 722976415 DMNGPLYTTISDOV-OCCSQVGLSA-N 261.325 0.990 10 10 CCCE COc1cccc(CNC(=O)N[C@@H](C)[C@H](C)N)c1O 842003502 IFBRTWPHPWIPEY-IUCAKERBSA-N 267.329 0.936 10 10 CCCE Nc1ccc(N2CCN(CCCS(=O)(=O)O)C2=O)cc1 690278810 MMKQFEIELZZOIB-UHFFFAOYSA-N 299.352 0.789 10 10 CCCE CCO[C@H](C(=O)OCC(=O)C(C)=O)C1CCOCC1 869874891 FMCUTXNEXOANEQ-LBPRGKRZSA-N 272.297 0.519 10 10 CCCE C[C@@H](NN1CCN(C)CC1)c1ccc(O)cc1O 214377825 KBRURBHYVCDBPJ-SNVBAGLBSA-N 251.330 0.911 10 10 CCCE O=C1CCOc2ccc(C(=O)C(=O)C(=O)O)cc2N1 76358670 DNPSHWAQXRYNAN-UHFFFAOYSA-N 263.205 0.244 10 10 CCCE Cc1ccc([C@H](N)c2nnc(-c3nc[nH]n3)o2)c(O)c1 83535109 MRBZNNWVSNYZOU-VIFPVBQESA-N 272.268 0.917 10 10 CCCE CN1C[C@@H](C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)CC1=O 701264051 LYXJREVFIDXQQN-DTWKUNHWSA-N 251.290 0.766 10 10 CCCE CC[C@H]1CN(C(=O)c2ccc(O)c(O)c2)C[C@@H]1N 399988889 SOQCZDLUYGJLIC-WPRPVWTQSA-N 250.298 0.907 10 10 CCCE C[C@@H]1CC(=O)NCCN1c1ccc2c(c1)NC(=O)[C@H]2N 708263679 MFINNCMGAQUDQN-OQPBUACISA-N 274.324 0.353 10 10 CCCE CCn1cc([C@@H](NCCCN=[N+]=[N-])C(=O)OC)nn1 714416430 HHIVYSWSQUEACD-SECBINFHSA-N 267.293 0.802 10 10 CCCE CCOC(=O)[C@@](C)(NCCN=[N+]=[N-])c1cn(C)nn1 714946337 NZAURCZRZJJJNP-JTQLQIEISA-N 267.293 0.493 10 10 CCCE O=C(NC1CC(C(=O)O)C1)c1cccc(O)c1O 693383484 BUEXOVCMFOILEF-UHFFFAOYSA-N 251.238 0.691 10 10 CCCE CN1CCN(c2ccc(CN)c(F)c2F)[C@H](CO)C1 699475440 AWNPKJZPLMXCRA-JTQLQIEISA-N 271.311 0.536 10 10 CCCE CC[C@H](NC(C)=O)C(=O)NCc1c(O)cccc1O 1304053830 TVTUWFZWWAHHBY-JTQLQIEISA-N 266.297 0.629 10 10 CCCE CNC(=O)[C@@H](C)N(C)S(=O)(=O)Cc1ccc(N)cc1 1916798852 NDTICBJMDCRWJS-SECBINFHSA-N 285.369 0.165 10 10 CCCE Nc1nnc(CC(=O)NCc2ccc(O)cc2O)s1 1162278477 IQOBOSSNSXNKMK-UHFFFAOYSA-N 280.309 0.390 10 10 CCCE CC(=O)N[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 1162409795 BHCWFGZQACZTSQ-PYEVWLCESA-N 290.319 0.848 10 10 CCCE C[C@H](N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O)c1ccccc1O 2121473918 KCHSDCRRWUBGEE-YMJHMOKSSA-N 267.325 0.145 10 10 CCCE CN(C)c1ccc([C@H](O)[C@@]2(N)CCS(=O)(=O)C2)cc1 2115546022 FBLYEZDGYDWQEH-QWHCGFSZSA-N 284.381 0.302 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3CC(F)(CO)C3)cc21 2116282233 CACMRUCOZBOXJW-LLVKDONJSA-N 265.288 0.183 10 10 CCCE CC(C)NC(=O)NC(=O)CN1CCC[C@@H]1CN=[N+]=[N-] 2123021365 UGLGNZYHZFTVOI-SECBINFHSA-N 268.321 0.995 10 10 CCCE NCc1ccc(N2C[C@@H]3C[C@H](C2)[C@@H](O)[C@@H]3O)cc1F 2126150078 HTETZAWAKLXYQZ-RDBQEKCUSA-N 266.316 0.462 10 10 CCCE N[C@@H]1CCCc2cc(N3C[C@H](O)C[C@H]3CO)ccc21 2128272292 GAYCPBZECAQQGL-GZBFAFLISA-N 262.353 0.955 10 10 CCCE Oc1c(F)cc(F)cc1CN1CCN[C@@H]2COC[C@H]21 2132578792 HROQLMQDNGKKRH-VXGBXAGGSA-N 270.279 0.843 10 10 CCCE O=C(NC[C@@H]1NC[C@@H]2C[C@H]21)c1cc(O)c(O)c(O)c1 1905947978 WERNNYSLGVFXTG-YIZRAAEISA-N 264.281 0.141 10 10 CCCE CC1=NNC(=O)[C@@H]1CCNC(=O)c1cc(O)cs1 1292969449 JPCPZQMSOHTWPL-MRVPVSSYSA-N 267.310 0.696 10 10 CCCE NCc1ccc(N2CCN(CCOCCO)CC2)cc1 1921627342 LDZFNQFZFVHXAR-UHFFFAOYSA-N 279.384 0.276 10 10 CCCE COc1cc2c(cc1OC)N(C)[C@@H](CN)C(=O)N2 214992437 PMHWXOUKBIPERS-VIFPVBQESA-N 251.286 0.419 10 10 CCCE CC(=O)N1CC(N[C@H](C)c2cc(O)ccc2O)C1 1926265825 KFMIBOCHIFKCOZ-MRVPVSSYSA-N 250.298 0.979 10 10 CCCE CCC(=O)N[C@H](C)C(=O)NCc1cc(O)ccc1O 1633595173 KVWNZYWOWZMNEH-MRVPVSSYSA-N 266.297 0.629 10 10 CCCE O=C(NCc1c(O)cccc1O)c1cnnc(O)c1 1647268791 CLMALEPJMHUXGQ-UHFFFAOYSA-N 261.237 0.523 10 10 CCCE CNCc1ccc(N2CC(C)(C(N)=O)C2)cc1OC 2139684230 HTNRJKRHTOICKK-UHFFFAOYSA-N 263.341 0.726 10 10 CCCE CN1CCc2cc(CNC(=O)[C@H]3CCC(=O)N3)ccc21 169815466 CGMXGIBYTLSWGE-GFCCVEGCSA-N 273.336 0.574 10 10 CCCE CN1CCCN(c2ccc([N+](=O)[O-])c(CO)c2)CC1=O 234325397 DRFTWLIUXRJOQU-UHFFFAOYSA-N 279.296 0.756 10 10 CCCE CNCc1cc(F)c(N2CC[C@@H](C(N)=O)C2)c(F)c1 234398782 QALMPAFJUCPUDA-SECBINFHSA-N 269.295 0.996 10 10 CCCE COc1cc(N)c(N2CCOC[C@@H]2CN)cc1OC 1876216780 COPIGWHOYVYHTH-VIFPVBQESA-N 267.329 0.450 10 10 CCCE C[C@@H]1C[C@@H](NS(=O)(=O)Cc2ccc(N)cc2)CCN1 1876409501 UALUKUMZQBCSGY-MFKMUULPSA-N 283.397 0.829 10 10 CCCE Nc1ccc(OCC(=O)NCC23CC(CN2)C3)cc1 1876519071 JHHVAFXREZNALY-UHFFFAOYSA-N 261.325 0.516 10 10 CCCE O=S1(=O)CC[C@@H](CN[C@@H]2CCc3cccc(O)c32)N1 1967527895 DLFZGPJNMZLURU-WDEREUQCSA-N 282.365 0.661 10 10 CCCE CC[C@@H]1[C@@H]2CNC[C@H]2CN1C(=O)c1cc(O)nc(O)c1 251765593 VPFKHPLDJGELRE-HBNTYKKESA-N 277.324 0.563 10 10 CCCE NC(=O)[C@@H]1CCC[C@H]1NC(=O)c1cccc(O)c1O 1970119724 TYZIDUSBTZAQMC-VXNVDRBHSA-N 264.281 0.482 10 10 CCCE CS(=O)(=O)[C@H]1CC[C@@H](Nc2c(N)cccc2C(N)=O)C1 2145392612 PFUAWGGYONMWLC-BDAKNGLRSA-N 297.380 0.745 10 10 CCCE CN(C1CCC1)S(=O)(=O)NCCOc1ccc(N)cc1 2145497771 YBWJZIZFLIPJAX-UHFFFAOYSA-N 299.396 0.966 10 10 CCCE C[C@@H](O)[C@H](CO)NCc1cccc(Br)c1O 1982032098 KYBLXHHLTQDLSL-XCBNKYQSSA-N 290.157 0.986 10 10 CCCE O=c1c2c(ccn1CC1=CSC3=NCCN13)CCNC2 2150798627 WKUQBVHEQHMYLE-UHFFFAOYSA-N 288.376 0.754 10 10 CCCE O=C(N[C@@H]1CCC[C@@H]2CNC[C@@H]21)c1cc(O)nc(O)c1 2149392806 HHUFBJHWRYJRGB-DVVUODLYSA-N 277.324 0.611 10 10 CCCE CNCCN(C)S(=O)(=O)Nc1ccc(O)cc1 1997701533 OIVSAWWWYBTWFX-UHFFFAOYSA-N 259.331 0.200 10 10 CCCE O=[N+]([O-])c1cc2c(cc1N1CCN[C@H]3C[C@@H]31)OCCO2 2152158568 JOFMKSLVKPLBBG-IUCAKERBSA-N 277.280 0.917 10 10 CCCE O=C(NCc1occc1C(=O)O)c1cc(O)nc(O)c1 2152112659 IIRLSFMHNMJVID-UHFFFAOYSA-N 278.220 0.714 10 10 CCCE Nc1cc2c(cc1N1CC(N3CCC3)C1)NC(=O)CO2 2152250462 WFEXLVGREOJLHX-UHFFFAOYSA-N 274.324 0.494 10 10 CCCE Nc1ccc(OCCCN2CCOC[C@H](CO)C2)cc1 2154454876 DYPJGUNAEOLEIS-ZDUSSCGKSA-N 280.368 0.978 10 10 CCCE C[C@@H](NC1CN(S(C)(=O)=O)C1)c1ccccc1O 2028756609 ZJVPOCAPWODTRL-SECBINFHSA-N 270.354 0.687 10 10 CCCE C[C@@H]1CCN(c2ccc3c(c2)N(C)C(=O)[C@@H]3N)C[C@H]1O 300024930 WZRZZUDVFDAIJZ-OWYVNGRQSA-N 275.352 0.870 10 10 CCCE CC(=O)c1cc(F)cc(CN2C[C@H](O)C[C@@H]2CO)c1O 185180341 GIJXVOQOBFUBAT-VXGBXAGGSA-N 283.299 0.661 10 10 CCCE C[C@H](C(=O)NCCOc1ccc(N)cc1)n1cncn1 63130346 PGMVNOLPMOZBLZ-SNVBAGLBSA-N 275.312 0.617 10 10 CCCE C[C@H]1CNCCCN1C(=O)c1cc(O)nc(O)c1 2041188333 GERAKUDKJFSDQR-QMMMGPOBSA-N 251.286 0.317 10 10 CCCE C[C@@H](c1cc(O)ccc1O)N(C)CCN1CCNCC1 71148483 FUGRLYWBWLIZIP-LBPRGKRZSA-N 279.384 0.996 10 10 CCCE CN1CC[C@H](N(C)C(=O)COc2ccc(N)cc2)C1 311841934 QWNGGQZCWFSEFK-LBPRGKRZSA-N 263.341 0.810 10 10 CCCE CN1CCOC[C@@H]1CNC(=O)c1ccc(O)c(O)c1 700257404 ZJVYXPHODVOKSJ-JTQLQIEISA-N 266.297 0.158 10 10 CCCE COC(C)(C)[C@@H](N)C(=O)NCCc1ccc(O)c(O)c1 2171048294 LNGRTWCLILSDKZ-LBPRGKRZSA-N 282.340 0.509 10 10 CCCE C[C@@H](CO)CN(C)C(=O)[C@H]1CNc2ccccc2N1 708487357 QZQDJMZATMGMJH-ZWNOBZJWSA-N 263.341 0.979 10 10 CCCE Nc1ccc(OCCNC(=O)[C@@]23COC[C@@H]2C3)cc1 689181590 OBJJMOMIFLQDMT-HZMBPMFUSA-N 262.309 0.800 10 10 CCCE CC[C@@H](CO)N(C)CC(=O)c1ccc(O)c(O)c1 379012637 OHFPPIDBPRCEES-JTQLQIEISA-N 253.298 0.983 10 10 CCCE COc1ccc([C@@H](C)NCCn2ncnn2)c(O)c1 379764519 GYRBVCCJFAYKLO-SECBINFHSA-N 263.301 0.738 10 10 CCCE CN(C)C[C@]1(O)CCN(C(=O)c2ccc(O)c(O)c2)C1 713686975 LQPPYONZVAUROT-CQSZACIVSA-N 280.324 0.236 10 10 CCCE COCC[C@H](COC)NC(=O)c1cccc(O)c1O 382021143 PIFZZILQANYQFF-SECBINFHSA-N 269.297 0.879 10 10 CCCE Nc1ccc(NC(=O)CCn2ccncc2=O)cc1 382315313 SPYDAJJRIUFGAI-UHFFFAOYSA-N 258.281 0.854 10 10 CCCE Cc1c(S(=O)(=O)NCc2cc(N)ccc2O)cnn1C 383425600 ULDWJPIGSYOONP-UHFFFAOYSA-N 296.352 0.495 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1CC12CC2 715701740 YGYZNLYUQBISEN-JOYOIKCWSA-N 262.309 0.636 10 10 CCCE COc1ccc([C@@H](C)N[C@@H]2CN(C)NC2=O)c(O)c1 393921472 JRLONNRACFMODO-LDYMZIIASA-N 265.313 0.397 10 10 CCCE CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](O)[C@H](C)N 2176968905 FEHOXMXGHOVSFI-SMDDNHRTSA-N 279.384 0.809 10 10 CCCE CN1CC2(CCN(CC(=O)Nc3ccc(N)cc3)C2)C1 398627753 IMUJAFRSXONZQF-UHFFFAOYSA-N 274.368 0.845 10 10 CCCE COC1CC(C(=O)NCc2c(O)cc(O)cc2O)C1 2062494457 QJMFRYSDBNKRJW-UHFFFAOYSA-N 267.281 0.845 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3CC[C@@H]4[C@H](O)C[C@H]43)cc21 2178171045 ZPAGZTNGUTVGAT-KQURDKLPSA-N 273.336 0.622 10 10 CCCE C[C@@H](c1ccccc1O)N(C)C(=O)CN1CC(CN)C1 2169308424 ZOUALSNHERGENX-NSHDSACASA-N 277.368 0.802 10 10 CCCE CN(Cc1ccccc1O)C(=O)c1cn(C)c(CN)n1 2179582782 JDTCTBXOUZXTAI-UHFFFAOYSA-N 274.324 0.857 10 10 CCCE NC(=O)N1C[C@H]2C[C@H]1CN2C(=O)c1ccc(O)c(O)c1 2192237857 YMWXJBUWRZDSPP-BDAKNGLRSA-N 277.280 0.075 10 10 CCCE N[C@@H]1C[C@H](NC(=O)c2cc(O)c(O)c(O)c2)C12CCC2 2188913480 SELATYZXNDYPOW-MNOVXSKESA-N 278.308 0.803 10 10 CCCE NC(=O)N1CC[C@@H](NCc2c(O)cccc2F)C1 2042604235 ZIYDPMMFGXOJEE-MRVPVSSYSA-N 253.277 0.774 10 10 CCCE C[C@@H]1COC[C@H](C(=O)NCc2ccccc2O)N1 2049335929 VIYHVLGYAJXHOY-MWLCHTKSSA-N 250.298 0.385 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1C[C@H](F)[C@@H](CO)C1 2056997261 DUGXOJHPHDVUHN-BDAKNGLRSA-N 255.245 0.500 10 10 CCCE C[C@H](N)c1cc(F)c(N2C[C@H]3C[C@H]2[C@H](O)[C@@H]3O)c(F)c1 2194698830 AVTJMHAZPVAREV-OWOHCXACSA-N 284.306 0.915 10 10 CCCE CN(CC(CO)CO)c1ccc2c(c1)CC[C@H]2N 2065071645 LPWUGCHMLLSKDC-CQSZACIVSA-N 250.342 0.670 10 10 CCCE CCOC(=O)c1cccc(N)c1N[C@@H]1COC[C@H]1CN 2191692686 VHRPRJWOFZLIAD-BXKDBHETSA-N 279.340 0.831 10 10 CCCE Nc1ccc(OCCC(=O)NCC2(O)CC(N)C2)cc1 2191721992 RYUIACZKNJQKHV-UHFFFAOYSA-N 279.340 0.006 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@H]2CCCNC2)cc1 2071664131 ORLBCDJUXDOSAB-GFCCVEGCSA-N 269.370 0.440 10 10 CCCE Nc1ccc(CN2CCOC[C@@H](C(=O)O)C2)cc1 2076943694 UYECGVHDEZEHTI-NSHDSACASA-N 250.298 0.802 10 10 CCCE CC[C@H](NC(=O)c1cccc(O)c1O)C(=O)N(C)C 2100231753 PMTIHMKQYOPFMW-VIFPVBQESA-N 266.297 0.694 10 10 CCCE NCc1ccc(N2C[C@@H]3[C@H](C(N)=O)[C@@H]3C2)cc1Cl 2081457848 UPARESOXIVMTBQ-PEGIJTEDSA-N 265.744 0.966 10 10 CCCE O[C@@H]1CNCCN(c2ccc3c(c2)OC(F)(F)O3)C1 2106347110 PMFKLHGUSZGMQO-SECBINFHSA-N 272.251 0.779 10 10 CCCE [N-]=[N+]=NC[C@H]1CCN(C(=O)CSCC(=O)O)C1 2213588391 QSRNQTDBFOEKSR-SSDOTTSWSA-N 258.303 0.963 10 10 CCCE CNCc1cc(OC)ccc1N1C[C@H](O)[C@@H](F)C1 2220418877 FQCMVQFOIALTPA-AAEUAGOBSA-N 254.305 0.934 10 10 CCCE CNC1CN(S(=O)(=O)Nc2c(C)cc(O)cc2C)C1 2231250119 WBYDLPJWBRJBLX-UHFFFAOYSA-N 285.369 0.569 10 10 CCCE COc1ccc(N2C[C@@H]3OC[C@H](CO)[C@@H]3C2)c(CO)c1 2236002834 OJFPICJZDFMNLE-WHOFXGATSA-N 279.336 0.631 10 10 CCCE OC[C@@H]1CN(c2ccc3c(c2)COCC3)C[C@@H]1CO 2226708603 YWADDWWLHRXXAD-OKILXGFUSA-N 263.337 0.796 10 10 CCCE NCc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]2C[C@H]3[C@@H](O)[C@H]2O)cc1 2237073811 RAKFABHZSDCWBN-SQNSNAQRSA-N 274.364 0.569 10 10 CCCE COc1ccc(N2CCC(CO)(CO)C2)c(C=O)c1 2227694983 LGYZVURUKMKMGR-UHFFFAOYSA-N 265.309 0.689 10 10 CCCE C[C@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)[C@@H](C)CN1C 2238049855 AWUNVPZBZFHCBW-IUCAKERBSA-N 280.324 0.968 10 10 CCCE C[C@H]1C[C@@H](CC(=O)O)CN1C(=O)c1cc(O)nc(O)c1 2285425501 ZQYPWZOFZSPOGG-YUMQZZPRSA-N 280.280 0.818 10 10 CCCE NCc1ccc(N2C[C@@H]3C[C@H]2[C@H](O)[C@@H]3O)c(F)c1 2308772077 XLZPGCFRNYJLIE-KNDHEWATSA-N 252.289 0.215 10 10 CCCE C[C@@H](O)c1ccc(N2C[C@@H](O)C[C@H]2CO)cc1O 2313632563 IVEWIRKDIXVBSY-MIMYLULJSA-N 253.298 0.377 10 10 CCCE C[C@H](N)c1ccc(N2CC([C@H](O)CO)C2)c(F)c1 2315165923 HUAHAHMCHGDITR-ISVAXAHUSA-N 254.305 0.635 10 10 CCCE CCS(=O)(=O)CCN1CCc2cc(O)c(O)cc2C1 2341217019 UCSXUKVXMMKECW-UHFFFAOYSA-N 285.365 0.891 10 10 CCCE O=C(N[C@@H]1C[C@@H](C(=O)O)[C@H]2C[C@H]21)c1cc(O)nc(O)c1 2354890483 QBPAJSRZGPZPDC-JQCXWYLXSA-N 278.264 0.332 10 10 CCCE O=CN[C@H](CCC(=O)O)Cc1ccc(O)c(O)c1 69604956 QVMFSBBVMKJFEZ-SECBINFHSA-N 253.254 0.620 10 10 CCCE C[C@@H](c1cc(O)ccc1O)N1CCOC[C@H]1C(=O)O 251235970 CJKDUKJBMXEODY-KWQFWETISA-N 267.281 0.944 10 10 CCCE OCc1cc(F)c(N2[C@H]3CC[C@@H]2C[C@H](O)[C@@H]3O)c(F)c1 2357053247 SWNUJMKXDQDXPX-BHGAFXIHSA-N 285.290 0.920 10 10 CCCE NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1F 135219916 OXGJNLVXPBOJDT-SNVBAGLBSA-N 251.305 0.986 10 10 CCCE O=C(O)[C@@H](O)c1cc(O)c(O)c(Br)c1 258377182 HWOKFZDYNQZPKI-LURJTMIESA-N 263.043 0.978 10 10 CCCE CN1CCOC[C@@H]1CNC(=O)c1cccc(O)c1O 700255519 JAOKAYIYJZLYQI-VIFPVBQESA-N 266.297 0.158 10 10 CCCE C[C@H]1CN(c2ccc(CN)c(F)c2)C[C@H](CO)O1 299952962 KPOCNNQXKPCKFM-JOYOIKCWSA-N 254.305 0.870 10 10 CCCE Nc1ccc(CCNC(=O)[C@@H]2OCC[C@@H]2C(=O)O)cc1 2162275856 MOZBJTZKKDSXKR-NWDGAFQWSA-N 278.308 0.417 10 10 CCCE CO[C@H]1C=CCN(c2cc3c(cc2N)OCC(=O)N3)C1 2165065694 UNQGEXNOIYZCJG-VIFPVBQESA-N 275.308 0.991 10 10 CCCE CN1CCc2cc([C@@H](N)[C@@H]3CN4CCN3CC4)ccc21 2163067989 CLVMHOIDSJMQPK-JKSUJKDBSA-N 272.396 0.679 10 10 CCCE O=C1NN(c2ccccc2)C(=O)/C1=C/c1ncc[nH]1 731159112 MWIPHGKIPTVDFU-CSKARUKUSA-N 254.249 0.871 10 10 CCCE CC(=O)N[C@H](CCC(C)C)C(=O)OCC(=O)C(C)=O 850018043 GXLBIVFPXGQHQA-LLVKDONJSA-N 271.313 0.629 10 10 CCCE Cn1cc(C[C@H](O)C(=O)NCc2ccccc2O)cn1 787131072 GKEIZCGQVPJUPW-ZDUSSCGKSA-N 275.308 0.346 10 10 CCCE CN(CC(=O)c1ccc(O)c(O)c1)CC1CC(O)C1 91463042 RQHPNKRBAJHYOJ-UHFFFAOYSA-N 265.309 0.983 10 10 CCCE COC(=O)[C@@H](O)CNCc1ccc(N(C)C)cc1 83392005 PSQMKMJRADEOPX-LBPRGKRZSA-N 252.314 0.376 10 10 CCCE COc1ccc(N2CCN[C@@H](CO)C2)cc1OC 84590223 LEHKZXDPLFOHNX-SNVBAGLBSA-N 252.314 0.474 10 10 CCCE COC[C@@](C)(CO)N(C)c1ccc2c(c1)NC(=O)[C@@H]2N 708504114 GTKWWTNZHPFBGQ-TZMCWYRMSA-N 279.340 0.472 10 10 CCCE Cn1ccn(CCCOc2ccc(N)cc2)c(=O)c1=O 61796513 JNQNBHWQVMNEOW-UHFFFAOYSA-N 275.308 0.598 10 10 CCCE Nc1ccc(Cc2nc3c(=O)[nH]c(N)nc3[nH]2)cc1 88724733 WTBSDKKKUZHACL-UHFFFAOYSA-N 256.269 0.401 10 10 CCCE COc1ccc(N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 2116795564 FZQASIOXDSMNHF-WCQYABFASA-N 261.325 0.443 10 10 CCCE C[C@H](C(=O)Nc1ccc(N)cc1)N1C[C@H]2COC[C@H]21 2129807926 HJGJSLZMIWOILA-GBIKHYSHSA-N 261.325 0.926 10 10 CCCE OCc1ccc(N2[C@H]3CC[C@H]2[C@H](O)[C@H](O)C3)c(F)c1 2133920800 SXLMFHRRZNNZAJ-WTDIUWLJSA-N 267.300 0.781 10 10 CCCE CN(CCCN=[N+]=[N-])S(=O)(=O)N1CCOCC1 1912177595 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251.282 0.706 10 10 CCCE COC(=O)CCS(=O)(=O)N1CCC[C@H](N=[N+]=[N-])C1 403691055 ZCRXHNAXGIOAJE-QMMMGPOBSA-N 276.318 0.654 10 10 CCCE CN[C@@H](C)c1ccc(N(C)C(CO)CO)c(F)c1 310950685 NQMHDNCWRFSODI-VIFPVBQESA-N 256.321 0.896 10 10 CCCE COC(=O)[C@H](NCCN(C)C)c1c(O)cccc1OC 2160728409 LJARYAQOXXTMBI-CYBMUJFWSA-N 282.340 0.766 10 10 CCCE C[C@H]1CN(C(=O)c2cccc(O)c2O)CCS1(=O)=O 707414596 PATSULOQQYAJRA-QMMMGPOBSA-N 285.321 0.357 10 10 CCCE Cc1nc[nH]c1CNC(=O)COc1ccc(N)cc1 379933420 VDSZKZSQAJFDJR-UHFFFAOYSA-N 260.297 0.996 10 10 CCCE Nc1cc2c(cc1N1CC(O)(C(F)F)C1)CCC(=O)N2 2172123501 ARHCMGYSGMMXES-UHFFFAOYSA-N 283.278 0.970 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3CC(O)(C(F)F)C3)cc21 2172115729 UKDCELBELCPRPP-SNVBAGLBSA-N 283.278 0.479 10 10 CCCE Nc1ccc(OCC(=O)NCCCn2cncn2)cc1 381735981 AMWULAPPFQJQFO-UHFFFAOYSA-N 275.312 0.446 10 10 CCCE C[C@@H](c1ccc(O)cc1O)N1CC(O)([C@H](F)C(=O)O)C1 2172291030 YQLDSKFJNOJMAX-WRWORJQWSA-N 285.271 0.628 10 10 CCCE CC[C@@H](N)c1ccc(N2C[C@@H]3C(=O)NC(=O)[C@H]3C2)cc1 387434629 OTEXHLVWSDMIHZ-RWMBFGLXSA-N 273.336 0.805 10 10 CCCE Nc1ccc(OC[C@H](O)CN2CCSC[C@@H]2CO)cc1 387797853 OXHPJJGUVAKTJW-QWHCGFSZSA-N 298.408 0.418 10 10 CCCE NC[C@H]1CCCCN(C(=O)c2cc(O)nc(O)c2)C1 388424200 PWLVWKVZXRGVPL-SECBINFHSA-N 265.313 0.694 10 10 CCCE C[C@@H]1NC(=O)CC[C@@H]1NC(=O)COc1ccc(N)cc1 392951233 URXJWTVXMMPSKW-CABZTGNLSA-N 277.324 0.431 10 10 CCCE NC(=O)N1CC[C@H](NCc2cc3c(cc2O)OCO3)C1 393264590 FQDZMBKTWFDAAD-VIFPVBQESA-N 279.296 0.364 10 10 CCCE C[C@H](CN[C@@H]1CCc2cccc(O)c21)S(N)(=O)=O 398268605 FWTZYZUOQVTXGW-PSASIEDQSA-N 270.354 0.646 10 10 CCCE C[C@@H]1CN(C(=O)c2cccc(O)c2O)C[C@H](CCN)O1 2179377733 YBLIDTVNKKIFLX-ZJUUUORDSA-N 280.324 0.676 10 10 CCCE CCOC(=O)[C@]1(NCCCN=[N+]=[N-])CCC(=O)N(C)C1 2188501881 XPLNYZMTBPKMMJ-LBPRGKRZSA-N 283.332 0.831 10 10 CCCE CC[C@H]1CNCC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2188929367 OSQNRPOBQSDDDQ-WCBMZHEXSA-N 280.324 0.921 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@H]2CCNC[C@H]2C1 2188916305 OJONZGAUQMHWGV-SCZZXKLOSA-N 278.308 0.485 10 10 CCCE O=C(NC1[C@H]2CC[C@H]1CNC2)c1cc(O)c(O)c(O)c1 2188919209 LDJXRYXLKVSPRY-YUMQZZPRSA-N 278.308 0.531 10 10 CCCE C[C@H](N)c1ccc(N2C[C@@H]3C[C@H](C2)[C@H](O)[C@@H]3O)cc1O 2182549496 CRRGSJNALYQSFQ-TXFSYDTDSA-N 278.352 0.590 10 10 CCCE C[C@H](N)c1cnc(Sc2nc(=O)c(=O)[nH]n2C)s1 2041815768 AUZCGJOTWCMAJQ-BYPYZUCNSA-N 285.354 0.096 10 10 CCCE NC(=O)[C@]1(O)CCCN(c2ccc3c(c2)CC[C@@H]3N)C1 2184738796 XYWGZTGCHGMEQQ-ZFWWWQNUSA-N 275.352 0.449 10 10 CCCE O=C(O)C[C@@H]1CCN1C(=O)c1cc(O)nc(O)c1 2047047579 RAURMRRRSKBJFW-ZETCQYMHSA-N 252.226 0.182 10 10 CCCE C[C@@H](c1ccccc1O)N(C)C(=O)[C@@H](N)[C@@H](C)O 2054734447 LRQWJHWYWBNPRO-SBMIAAHKSA-N 252.314 0.620 10 10 CCCE CC(=O)[C@@H](NC(=O)c1cc(O)nc(O)c1)C1CC1 2055817139 JZOBEZBLKKLYJX-LLVKDONJSA-N 250.254 0.590 10 10 CCCE CN1CCc2cc([C@@H](O)[C@](C)(N)C(=O)O)ccc21 2058158406 JWBHMIAINYIJCV-YPMHNXCESA-N 250.298 0.514 10 10 CCCE CN1CCc2cc(CNCC[C@@H](O)CO)ccc21 2061854517 JUCUFZHNYIQXSR-CYBMUJFWSA-N 250.342 0.512 10 10 CCCE C[C@@H](N)[C@@H]1CN(c2cc3c(cc2N)OCCO3)CCO1 2191560184 RLAJKNGNOYOYGU-OTYXRUKQSA-N 279.340 0.592 10 10 CCCE C[C@H]1CNC[C@H]1NS(=O)(=O)CCOc1ccc(N)cc1 2191643278 PLLJRJWMFGMZMM-GXFFZTMASA-N 299.396 0.175 10 10 CCCE Nc1ccc(CS(=O)(=O)NCc2ncco2)cc1 2066304038 DHWPVSYPLPTFAK-UHFFFAOYSA-N 267.310 0.876 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@H]2CC[C@H]3C[C@H]2CN3)cc1 2191708974 XMGNEZXKUJDKAH-FPMFFAJLSA-N 295.408 0.829 10 10 CCCE C[C@@H]1NCC[C@H]1NS(=O)(=O)CCOc1ccc(N)cc1 2191705018 ZJMRYTUNLBTWKH-GXFFZTMASA-N 299.396 0.317 10 10 CCCE CN1C[C@@H](N(C)c2ccc(CN)cc2F)CC1=O 2068214527 LGUNTTIAAVPFRP-JTQLQIEISA-N 251.305 0.951 10 10 CCCE CC[C@H](CO)CNC(=O)c1cc(O)c(O)c(O)c1 2068577912 PULZOELUZDHIQP-ZETCQYMHSA-N 255.270 0.552 10 10 CCCE CCn1ncc(C(=O)C(=O)C[C@H]2C[C@H](N)C2)c1N 2068659886 CAHAGMQDUCXNQF-ZKCHVHJHSA-N 250.302 0.364 10 10 CCCE CN(C)S(=O)(=O)C1CN(C(=O)Nc2ccc(N)cc2)C1 2187328238 ZTVGAFQJIAJLPI-UHFFFAOYSA-N 298.368 0.376 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CCOCCO1 2077855761 ONMAIQVRGQLDTR-UHFFFAOYSA-N 255.226 0.207 10 10 CCCE CN[C@H](C)c1ccc(N2CC(CO)(OC)C2)cc1O 2101061541 AXVWCXPCNANJRB-SNVBAGLBSA-N 266.341 0.870 10 10 CCCE CC[C@@]1(NC(=O)Cc2ccc(O)c(O)c2)CCNC1 2101350053 BEJAOQBJNJTTGM-CQSZACIVSA-N 264.325 0.899 10 10 CCCE Nc1ccc(CN2CC[C@@H]3C(=O)NC(=O)[C@H]3C2)cc1 2102577643 KWIUXZUEEPYCEZ-RYUDHWBXSA-N 259.309 0.363 10 10 CCCE Cc1cccc(CNC(=O)[C@H]2CCS2(=O)=O)c1O 2084061224 RFFDGNSZAGODRZ-SNVBAGLBSA-N 269.322 0.504 10 10 CCCE Cc1ccc(CNCCCNS(C)(=O)=O)c(O)c1 2084070756 USZSKEPCCLYMRE-UHFFFAOYSA-N 272.370 0.730 10 10 CCCE C[C@@H](NC[C@@H]1CCS(=O)(=O)N1)c1ccc(O)cc1O 2089999713 VREXJODDGPACMX-BDAKNGLRSA-N 286.353 0.440 10 10 CCCE O=C(c1cccc(O)c1O)N1C[C@@H](O)[C@H](C2CC2)C1 2090673420 GSNOZRXJSRAWMZ-CMPLNLGQSA-N 263.293 0.941 10 10 CCCE N[C@H]1COC[C@@H]1CCNC(=O)c1cccc(O)c1O 2111328354 LXUKBLINWRFQOI-WPRPVWTQSA-N 266.297 0.191 10 10 CCCE CN1CCN(C(=O)COc2ccc(N)cc2)[C@H]2C[C@H]21 2112107089 KQFUNHJXCRSYIJ-OLZOCXBDSA-N 261.325 0.563 10 10 CCCE COc1cccc(CNC2(c3nn[nH]n3)CC2)c1O 2094710117 YCNUJLSDVOAADV-UHFFFAOYSA-N 261.285 0.693 10 10 CCCE C[C@]1(O)CN(CC(=O)c2ccc(O)c(O)c2)CC[C@H]1O 2201508666 BJTHWJUZRXXPDR-KGLIPLIRSA-N 281.308 0.098 10 10 CCCE CN(Cc1ccc(F)c(F)c1O)[C@H]1CC(=O)NC1=O 2114731342 CCLTZABKDRJGCS-QMMMGPOBSA-N 270.235 0.517 10 10 CCCE COc1cc(N2C[C@@H](CO)[C@H](CCO)C2)ccc1CN 2204542250 XZCSEPCMXUSCJB-OLZOCXBDSA-N 280.368 0.581 10 10 CCCE Cc1cc([C@H](C)O)ccc1N1CC(=O)NC(=O)[C@@H]1C 2232105187 AYJSUNTZCHTOBR-UWVGGRQHSA-N 262.309 0.900 10 10 CCCE O=C1Nc2cc(N3C[C@H](O)C[C@@H](F)C3)c(F)cc2[C@@H]1O 2234680242 XAFFAOCHMBYEEV-QHMRUWFYSA-N 284.262 0.720 10 10 CCCE COC(=O)[C@@H]1CC[C@H]1NC(=O)c1cc(O)nc(O)c1 2224839914 ACPJMQLVWHJKTF-HTQZYQBOSA-N 266.253 0.174 10 10 CCCE COc1ccc(N2CC[C@H](N3CC(O)C3)C2)cc1OC 2235129391 NEWCYDYTMJZLBM-LBPRGKRZSA-N 278.352 0.959 10 10 CCCE COc1ccc(N(C)Cc2cnnn2C)c(CCN)c1 2235970099 LYTMNXPENSFJKR-UHFFFAOYSA-N 275.356 0.961 10 10 CCCE COc1ccc(N2CCC[C@@H](CO)[C@@H]2CO)c(CO)c1 2236000392 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Nc1ccc(CS(=O)(=O)NCC[C@H]2CCO2)cc1 2263976355 BHSSBFILGUULRN-LBPRGKRZSA-N 270.354 0.867 10 10 CCCE COc1ccc(N(C)[C@@H](CN)CC(=O)N(C)C)cc1 2264350462 LNODIGYXYZVNSV-GFCCVEGCSA-N 265.357 0.937 10 10 CCCE NC(=O)[C@@H]1C[C@@H]1C(=O)Nc1sc2c(c1C(=O)O)CCC2 2283647404 KCMJIXQWYUTIJU-RQJHMYQMSA-N 294.332 0.995 10 10 CCCE Cc1cc(N2CC[C@@](O)(CO)[C@H](O)C2)ccc1[C@@H](C)N 2285126147 FIFCGFXLRGVNPG-KCPJHIHWSA-N 280.368 0.309 10 10 CCCE C[C@]1(NC(=O)[C@H]2CNc3ccccc3N2)CCNC1=O 2289014531 CDGAXOQKWKDNRE-RISCZKNCSA-N 274.324 0.287 10 10 CCCE Cc1cc([C@@H](C)N)ccc1N1C[C@H](O)[C@@H](O)[C@@H](CO)C1 2289399554 ARLPXYFWBOZICG-DWZYQQQCSA-N 280.368 0.165 10 10 CCCE Cc1cc(N2C[C@H](O)[C@H](O)[C@@H](CO)C2)ccc1[C@@H](C)O 2289482151 AHKNBRLHLCBXIN-HKCMKHECSA-N 281.352 0.199 10 10 CCCE CCN(CCN=[N+]=[N-])C(=O)C1(C)CS(=O)(=O)C1 2300530812 WTGNWSOQAPYUMI-UHFFFAOYSA-N 260.319 0.580 10 10 CCCE Nc1ccc(NC(=O)NCCOC2CNC2)cc1 2315487602 KEODUJHYXSDTCV-UHFFFAOYSA-N 250.302 0.379 10 10 CCCE N[C@H]1C[C@@H]2C[C@H]1CN(C(=O)c1cccc(O)c1O)C2 2333670958 VIYCOGOLBSSPTH-QXEWZRGKSA-N 262.309 0.907 10 10 CCCE CC(C)NCc1ccc(N2CC([C@H](O)CO)C2)cc1 2336781548 WMZCFCAKZQVUOG-OAHLLOKOSA-N 264.369 0.974 10 10 CCCE COc1cc(Cl)c(N2CC(N)(C(N)=O)C2)c(OC)c1 2342303473 XPZLHBORDSPJQY-UHFFFAOYSA-N 285.731 0.360 10 10 CCCE CN1CCC(CO)(NCc2ccc(O)c(O)c2)CC1 2352260121 IEZLYYRBWSJFCL-UHFFFAOYSA-N 266.341 0.644 10 10 CCCE CNC(=O)CCOC(=O)CCc1ccc(N)cc1 51762414 LVKSONHVKPCFRF-UHFFFAOYSA-N 250.298 0.881 10 10 CCCE Nc1ccc(NC(=O)CN2CCOC[C@@H]2CF)cc1 2126206260 HOGUITRNNQYTKS-LBPRGKRZSA-N 267.304 0.878 10 10 CCCE CCN[C@H]1C(=O)Nc2cc(N(C)C[C@H](O)COC)ccc21 42509582 SBRYQEBQNWJAMR-SMDDNHRTSA-N 293.367 0.733 10 10 CCCE CC(C)[C@@](C)(CN)NC(=O)c1cc(O)nc(O)c1 131123090 XCZQNYWHRFGVRR-GFCCVEGCSA-N 253.302 0.596 10 10 CCCE CCNCc1ccc(N2C[C@H](O)[C@@H](O)C2)c(C)c1 233548285 WCQJEXIHYNIVSY-KBPBESRZSA-N 250.342 0.646 10 10 CCCE C[C@@H]1CN(CC(=O)N(C)c2ccc(N)cc2)CC(=O)N1 386875050 DUFSYALCJXWUBB-SNVBAGLBSA-N 276.340 0.052 10 10 CCCE CC(=O)C(=O)Cn1c(Br)cccc1=O 809977997 DPHCPPFFJMLXJE-UHFFFAOYSA-N 258.071 0.769 10 10 CCCE [N-]=[N+]=N[C@@H](O)[C@H]1O[C@@H](OCc2ccccc2)C[C@@H](O)[C@@H]1O 395212792 MXHAQMCTKATYEI-BNDIWNMDSA-N 295.295 0.669 10 10 CCCE CN(C)c1ccc(CNC(=O)CCOC2CNC2)cc1F 827906536 OCRAPPVCINHRJU-UHFFFAOYSA-N 295.358 0.886 10 10 CCCE Cn1[nH]c(CN2CCCc3cc(CN)ccc32)nc1=O 843351807 DZUATIYASAZLDO-UHFFFAOYSA-N 273.340 0.520 10 10 CCCE CCOC(=O)C[C@H](O)C(=O)NCc1c(O)cccc1F 928708689 QEMFFEVEUZIJIP-NSHDSACASA-N 285.271 0.462 10 10 CCCE C[C@H](O)c1ccc(N2C[C@H](O)C[C@H]2CO)c(F)c1 698121946 FVNMLKFIILZKBM-INTQDDNPSA-N 255.289 0.811 10 10 CCCE C[C@@H](O)[C@@H](O)CNCc1ccc(N2CCOCC2)c(F)c1 865739888 XIDWNSYGTYCBNC-ABAIWWIYSA-N 298.358 0.494 10 10 CCCE Cc1cccc(CN2CCC[C@H]2CS(N)(=O)=O)c1O 775697334 ZMOWSJQABVEWSZ-LBPRGKRZSA-N 284.381 0.954 10 10 CCCE COc1ccc(N2CCN(C(=O)CN)CC2)cc1C 82571664 WBTNFGWSJMDTHC-UHFFFAOYSA-N 263.341 0.611 10 10 CCCE CC(=O)NCc1nnc([C@@H](N)c2cc(O)ccc2O)o1 83585080 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COc1ccc(N2CCO[C@H](CO)C2)c(OC)c1 259303627 LTXDEBTVRBPAKH-NSHDSACASA-N 253.298 0.901 10 10 CCCE C[C@H](N)c1ccc(N2C[C@H](O)[C@H](O)[C@H]2CF)c(F)c1 2140660517 AGUAGQIAUPYNHH-GUQKDYTMSA-N 272.295 0.725 10 10 CCCE C[C@@H]1CNC[C@@H](NC(=O)COc2ccc(N)cc2)C1 1876455631 GTQZGXFNYBSQBO-JQWIXIFHSA-N 263.341 0.762 10 10 CCCE NC[C@H]1C[C@H](F)CN1C(=O)COc1ccc(N)cc1 1876440399 AZJKPUNJPPPNKG-GXSJLCMTSA-N 267.304 0.545 10 10 CCCE Nc1ccc(CCC(=O)N2C[C@H](N)C[C@@H](O)C2)cc1 1876437682 LONCFYPZAJYZSH-CHWSQXEVSA-N 263.341 0.122 10 10 CCCE CN(CCN)C(=O)c1ccn(-c2ccc(N)cc2)n1 1876451078 KFNYNZVIEVUKSD-UHFFFAOYSA-N 259.313 0.485 10 10 CCCE C[C@H](NC(=O)[C@@H]1CNC[C@H](O)C1)c1ccccc1O 1877586483 LABWZLIEEKLCSE-GARJFASQSA-N 264.325 0.540 10 10 CCCE C[C@@H](O)c1cc(F)c(N2C[C@@H](O)C[C@@H]2CO)c(F)c1 1880483450 YDIFCCIFVWDERJ-QNSHHTMESA-N 273.279 0.950 10 10 CCCE Cc1nnc2n1CCN(C(=O)Cc1ccc(N)cc1)C2 1963099762 TZFJDOWSUATONB-UHFFFAOYSA-N 271.324 0.754 10 10 CCCE CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC[C@H](N=[N+]=[N-])C1 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C[C@]1(O)CON(S(=O)(=O)Cc2ccc(N)cc2)C1 2032458056 LIOHKGAZIPSFQV-LLVKDONJSA-N 272.326 0.097 10 10 CCCE Nc1ccc(CN2C[C@@H](CO)[C@@H](CCO)C2)cc1 2032549059 KKEMPMJAONJYSP-STQMWFEESA-N 250.342 0.692 10 10 CCCE C[C@@]1(CO)CCN1CC(=O)c1ccc(O)c(O)c1 2036001827 GGLZULZXTLDZNM-ZDUSSCGKSA-N 251.282 0.737 10 10 CCCE Nc1ccc(CCN2CCOC[C@@H](CO)C2)cc1 2036926551 ZUQVTSXLCOTBNE-CYBMUJFWSA-N 250.342 0.752 10 10 CCCE CCN(c1ccc(N)cc1)S(=O)(=O)[C@H](C)C(=O)OC 63114406 IVIMTSZLIIRIOE-SECBINFHSA-N 286.353 0.986 10 10 CCCE CCNC(=O)CS(=O)(=O)Cc1ccc(N)cc1 302383896 UCNPAOCPKPSIDZ-UHFFFAOYSA-N 256.327 0.320 10 10 CCCE C[C@H]1CN(C(=O)Cc2ccc(N)cc2)C[C@H](C)S1(=O)=O 400847031 DLZVYXDVIFKTDR-QWRGUYRKSA-N 296.392 0.845 10 10 CCCE CO[C@]1(CO)CCN(C(=O)c2ccc(O)c(O)c2)C1 401890090 WWQKZAUJKZDTIN-CYBMUJFWSA-N 267.281 0.321 10 10 CCCE CC[C@H](N)c1ccc(N2C[C@@H](O)[C@@H](CO)C2)cc1 316583668 WGZYMMWFGOASAX-KWCYVHTRSA-N 250.342 0.886 10 10 CCCE COc1cccc(O)c1[C@@H](NC[C@@H]1CCCO1)C(N)=O 2160727427 ABUUNVDPGGFGFO-TVQRCGJNSA-N 280.324 0.696 10 10 CCCE CN1CCC[C@H](NC(=O)CCc2ccc(N)cc2)C1=O 704390172 RNNJNYSMIZOSJZ-ZDUSSCGKSA-N 275.352 0.938 10 10 CCCE COC(=O)[C@H](NCCCN=[N+]=[N-])c1cccn(C)c1=O 2177741032 BEVHPEUKTLEWKU-SNVBAGLBSA-N 279.300 0.889 10 10 CCCE Oc1ccc(CNCC[C@H](O)C(F)F)c(O)c1O 716780493 VFXURYOVEPHAGE-QMMMGPOBSA-N 263.240 0.909 10 10 CCCE CO[C@H]1CCOC[C@H]1NCc1cccc(O)c1O 724906086 JEUJNNIHMFWUNY-PWSUYJOCSA-N 253.298 0.991 10 10 CCCE COc1cc(N)c(N(CCN)CCO)cc1OC 2071590630 LUVPZZRJGMAYOT-UHFFFAOYSA-N 255.318 0.043 10 10 CCCE C[C@H](C(=O)Nc1ccc(N)cc1)N1CC(C[S@@](C)=O)C1 2166657067 LMWOWOURMSRZND-CFMSYZGJSA-N 295.408 0.906 10 10 CCCE CN(C)c1ccc(CNS(=O)(=O)[C@H](CN)C2CC2)cc1 2167102389 RCRWTPFBIBIENV-CQSZACIVSA-N 297.424 0.909 10 10 CCCE CS(=O)(=O)c1cnn(Cc2cccc(F)c2O)c1N 2070218535 ZGJIZJPTTSYAPG-UHFFFAOYSA-N 285.300 0.762 10 10 CCCE COc1cccc(Cn2ncc(S(C)(=O)=O)c2O)c1O 2070261742 DYUIJIIGRFIHKG-UHFFFAOYSA-N 298.320 0.755 10 10 CCCE NCC[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CCO1 2176081678 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C[C@@H]1CN(Cc2ccc(O)c(O)c2)[C@@H](C(=O)O)CO1 2109526097 QSQXZRNNSNFYSG-PSASIEDQSA-N 267.281 0.772 10 10 CCCE COc1ccc(O)c([C@@H](C)N2C[C@H](O)C[C@@H]2C(=O)O)c1 2200876686 WEYKAXCZKVKKLM-KBVBSXBZSA-N 281.308 0.982 10 10 CCCE NCc1ccc(N2CC[C@@H]3C(=O)NC[C@H]3C2)c(F)c1 2100949489 KALDYCNBFUIFSW-QWRGUYRKSA-N 263.316 0.857 10 10 CCCE O=C(O)[C@@H]1C[C@H](O)CCN1Cc1ccccc1O 2081081531 HJZKWEMAZXTARX-MNOVXSKESA-N 251.282 0.802 10 10 CCCE O=C(O)c1c[nH]c(C2=S=Nc3ccccc32)nc1=O 2103702292 SXVZUXUTEGTNRK-UHFFFAOYSA-N 273.273 0.948 10 10 CCCE COc1cc(N2C[C@@H](F)[C@@H](CO)C2)ccc1CN 2084003402 CDDAACMDRSIQJT-ZYHUDNBSSA-N 254.305 0.921 10 10 CCCE C[C@@]12CN(C(=O)c3cc(O)nc(O)c3)C[C@]1(CO)C2 2109181039 DGJGCQKKIMEXJY-OLZOCXBDSA-N 264.281 0.337 10 10 CCCE COc1cc(C(=O)N[C@H](C)C[C@H](C)N)cc(OC)n1 2110628307 KLOBNUBYUISHRQ-DTWKUNHWSA-N 267.329 0.954 10 10 CCCE Nc1ccc(OCCC(=O)N[C@@H](CO)C2CC2)cc1 2094139114 MKUHLVBTURXKQB-ZDUSSCGKSA-N 264.325 0.925 10 10 CCCE CO[C@@H]1COC[C@@H]1CNC(=O)c1cccc(O)c1O 2097865148 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CCN(CCN=[N+]=[N-])C(=O)C1[C@@H]2CS(=O)(=O)C[C@@H]12 2315988174 GDHCAQXBRKNBNR-HTQZYQBOSA-N 272.330 0.436 10 10 CCCE Nc1ccc(NC(=O)N2C[C@@H](O)[C@@H]3COC[C@@H]32)cc1 2329200723 CFPPZCBWBNPING-GRYCIOLGSA-N 263.297 0.492 10 10 CCCE COc1ccc(N2C[C@@H]3CS(=O)(=O)[C@H]3C2)c(C=O)c1 2336545275 FSXYHUCOLARJHP-MFKMUULPSA-N 281.333 0.741 10 10 CCCE COC(CNC(=O)CCc1ccc(N)cc1)OC 20186656 QAKORLZAWUYWDA-UHFFFAOYSA-N 252.314 0.937 10 10 CCCE C[C@@H](NC(=O)[C@H]1CO[C@@H]2CNC[C@@H]21)c1ccccc1O 2357204798 STTGZRRXXORILH-SGESHTKJSA-N 276.336 0.804 10 10 CCCE CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[C@H](O)CN1 37807413 RCKGTMMJVWINMD-LSDHHAIUSA-N 291.395 0.824 10 10 CCCE O=C(O)C[C@@H]1COCCN1Cc1ccc(O)c(O)c1 128742352 KMZIWBMQRPBSNH-SNVBAGLBSA-N 267.281 0.773 10 10 CCCE Nc1ccc(OCCC(=O)N2CCn3cnnc3C2)cc1 81133832 CAXXRTKMHBFQBW-UHFFFAOYSA-N 287.323 0.672 10 10 CCCE CC(=O)N[C@H](CNCc1ccccc1O)C(=O)O 228414158 JPPOYRNYOLZHCA-SNVBAGLBSA-N 252.270 0.071 10 10 CCCE O=C1Nc2cc(N3CC[C@H](OCCO)C3)ccc2[C@@H]1O 2165346931 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C[C@H](NC(=O)[C@H](N)CC(=O)O)c1ccccc1O 2072492204 ZKXQQGXLDMJDPV-IONNQARKSA-N 252.270 0.371 10 10 CCCE C[C@]1(C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)COCCO1 2078530836 UOKSSOFTHAJKFI-GXSJLCMTSA-N 254.290 0.951 10 10 CCCE C[C@H](c1ccc(O)cc1O)N1CCN(CCN)CC1 2100782882 VVYUAYYYIXJRBD-LLVKDONJSA-N 265.357 0.735 10 10 CCCE C[C@](CO)(NC(=O)Cc1ccc(O)c(O)c1)C(F)F 2105089197 QUTNKGHLEDZFAD-GFCCVEGCSA-N 275.251 0.773 10 10 CCCE CNC(=O)[C@@H]1CNCCN1c1ccc(OC)cc1F 2106344467 JFMAMPPYRMOGIR-LBPRGKRZSA-N 267.304 0.359 10 10 CCCE CC(=O)N[C@H](CN(C)c1ccc(CN)cc1)C(=O)O 2106406880 WDCXMQMPYWXTDK-GFCCVEGCSA-N 265.313 0.171 10 10 CCCE CO[C@@H]1CN(C(=O)c2ccc(O)c(O)c2)CC[C@H]1O 2090576091 LBRSRKDPGPVFHZ-ZYHUDNBSSA-N 267.281 0.320 10 10 CCCE CN1CCc2cc([C@H](O)C(=O)[C@H]3C=CCN3)ccc21 2090966242 PLHVYVAJMOPXAA-OCCSQVGLSA-N 258.321 0.809 10 10 CCCE Nc1ccc(OC[C@H](O)CN2C[C@@H](O)[C@H](F)C2)cc1 2092768762 UMURNAGNAIYPRC-RAIGVLPGSA-N 270.304 0.023 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3C[C@@H](O)[C@H](F)C3)ccc21 2092827888 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253.298 0.493 10 10 CCCE C[C@H](CO)CC1CN(C(=O)c2cc(O)nc(O)c2)C1 2230530255 CFLKKUFZVCJDRA-QMMMGPOBSA-N 266.297 0.583 10 10 CCCE C[C@H]1CN(c2cc3c(cc2N)OCC(=O)N3)CCCN1 2233074524 ALYRVAHAFOAKHJ-VIFPVBQESA-N 276.340 0.788 10 10 CCCE [N-]=[N+]=N[C@@H]1CCC[C@@H]1NC(=O)Cc1cc(O)nc(O)n1 2234173624 YQTDLXASMAGFAG-JGVFFNPUSA-N 278.272 0.778 10 10 CCCE [N-]=[N+]=N[C@H]1CCC[C@@H]1NS(=O)(=O)N1CCC[C@H]1CO 2225799614 LPKLBPQDNNJCEK-GUBZILKMSA-N 289.361 0.509 10 10 CCCE COc1ccc(N(C)Cc2nncn2C)c(CCN)c1 2235968830 WKXSMAVBTGERRT-UHFFFAOYSA-N 275.356 0.961 10 10 CCCE C[C@H](N)c1ccc(N2C[C@H](CO)C[C@@H](CO)C2)cc1O 2236636659 ONRJRRCJDRMRLW-QJPTWQEYSA-N 280.368 0.839 10 10 CCCE COc1ccc(N2CCOC[C@H]2[C@@H](O)CO)cc1F 2226783949 OIVWNYWQSFUCFF-RYUDHWBXSA-N 271.288 0.393 10 10 CCCE COc1ccc(N2CC[C@@H](S(C)(=O)=O)C2)c(CN)c1 2227684158 RJHSMWAPBRZDII-GFCCVEGCSA-N 284.381 0.777 10 10 CCCE COc1ccc(N2CCOC[C@@H](CO)C2)c(CN)c1 2227677107 GDZHSJHTMIXWBE-LLVKDONJSA-N 266.341 0.599 10 10 CCCE COc1ccc(N(C)[C@@H]2CCC(=O)NC2)c(CO)c1 2227710294 DGXYPRLOIFKHQO-LLVKDONJSA-N 264.325 0.902 10 10 CCCE CN1CC2(CCN2CCC(=O)Nc2ccc(N)cc2)C1 2238596331 GKSYVLOUNJTFPD-UHFFFAOYSA-N 274.368 0.987 10 10 CCCE COc1ccc(N2CCS(=O)(=O)CC2)cc1C(=O)O 2228992890 MJBCGJCTTSWDKR-UHFFFAOYSA-N 285.321 0.628 10 10 CCCE Cc1cc([C@H](C)O)ccc1N1C[C@H]2C(=O)NC(=O)[C@H]2C1 2240829863 OLLZZWAXYRBYKY-ZMLRMANQSA-N 274.320 0.757 10 10 CCCE CSc1ncc(CNC[C@@H](C)N2CC(N)C2)s1 2248745670 XPTVVBCNUUVTJU-MRVPVSSYSA-N 272.443 0.986 10 10 CCCE COc1cc(N2CCC[C@H]3CNC(=O)[C@H]32)ccc1CO 2279272759 SDXIYLIIQWKXDR-HZMBPMFUSA-N 276.336 0.902 10 10 CCCE C[C@H](NCc1noc(C(N)=O)n1)c1cc(F)ccc1O 2285750188 KLKHWGXSCNKWEZ-LURJTMIESA-N 280.259 0.864 10 10 CCCE COc1cc(OC)c(N2CCO[C@H](CN)C2)cc1OC 2289400599 NQUXGMFYUXJARO-SNVBAGLBSA-N 282.340 0.876 10 10 CCCE Cc1cc(O)ccc1NS(=O)(=O)[C@@H]1CC[C@@H]1N 2300762477 DUNPHOIVNGQSCB-GXSJLCMTSA-N 256.327 0.932 10 10 CCCE CCN(CCO)C(=O)[C@@]12CC[C@@](C)(C(=O)C1=O)C2(C)C 8226468 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10 10 CCCE COc1cccc(CN2CCOC[C@@H](N)C2)c1O 1967985533 HHLVNQNEYDADCF-NSHDSACASA-N 252.314 0.560 10 10 CCCE COc1ccc(O)c(CN2CC[C@H](NC(N)=O)C2)c1 271777124 DPKAULVTGIQDED-JTQLQIEISA-N 265.313 0.643 10 10 CCCE CC1(C)CN(c2ccc(CO)cc2[N+](=O)[O-])CC(=O)N1 1970184355 KKGQXAGAIBKPIJ-UHFFFAOYSA-N 279.296 0.802 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N3CC4(CC(O)C4)C3)ccc21 2146334229 LMTHAYFKONAQJM-CYBMUJFWSA-N 273.336 0.860 10 10 CCCE CN1CCc2cc([C@@H](O)C(=O)c3nnnn3C)ccc21 2147117857 ITXAQSFQTFVYNF-LLVKDONJSA-N 273.296 0.119 10 10 CCCE CCN[C@H]1COCCN(C(=O)c2cccc(O)c2O)C1 2152197328 SEWUICDMLKUCMT-SNVBAGLBSA-N 280.324 0.548 10 10 CCCE Nc1ccc(OC[C@@H](O)C[S@@](=O)C2CC2)cc1 2008681785 RCCCDWXEPYSJKY-BMLIUANNSA-N 255.339 0.920 10 10 CCCE CCNC(=O)CN(CC)CC(=O)c1ccc(O)c(O)c1 50155038 XHTCECSDRWHLLW-UHFFFAOYSA-N 280.324 0.739 10 10 CCCE NCC1(NC(=O)Cc2ccc(O)c(O)c2)CCC1 2027477232 DGJRENVDZZQMLS-UHFFFAOYSA-N 250.298 0.638 10 10 CCCE CN(C)c1ccc(CN[C@@H](CO)CCCO)cc1 2029928216 QKMOWPJQVIOBJY-CYBMUJFWSA-N 252.358 0.976 10 10 CCCE Oc1ccc(CNCC[C@H]2COCCO2)c(O)c1 2034535334 BSQREWWWYMRPPZ-LBPRGKRZSA-N 253.298 0.993 10 10 CCCE Cn1c(Sc2ncc(C(=O)O)s2)n[nH]c1=O 309350982 BTCYQVIYROCYCH-UHFFFAOYSA-N 258.284 0.414 10 10 CCCE Nc1ccc(OCC(=O)N[C@@H]2CO[C@@H]3COC[C@@H]23)cc1 2158044364 VTFWBVNVIAJGFS-YNEHKIRRSA-N 278.308 0.178 10 10 CCCE NCCO[C@H]1CCCN(C(=O)c2ccc(O)c(O)c2)C1 2170216179 NSOWEUSNEHATQH-NSHDSACASA-N 280.324 0.678 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3CC(O)(C(F)(F)F)C3)ccc21 2170376876 ADTLHRPODOVQGF-SECBINFHSA-N 287.241 0.752 10 10 CCCE CC(=O)c1ccc(O)c(CN2C[C@H]3C[C@H]2[C@@H](O)[C@H]3O)c1 2160691759 YHHGNZMTWOYZCX-PAPYEOQZSA-N 277.320 0.521 10 10 CCCE NCc1ccc(N2CC[C@]3(C2)NC(=O)NC3=O)c(Cl)c1 2170621180 GVTZVVHKSGEUOQ-CYBMUJFWSA-N 294.742 0.587 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN1C(=O)CCSCC(N)=O 701286949 OTTSUYHMLXADFM-MRVPVSSYSA-N 271.346 0.896 10 10 CCCE NCc1ccc(N2CCC[C@@H](CO)[C@H]2CO)c(F)c1F 709804815 IAQGDVNFCGJPKO-CMPLNLGQSA-N 286.322 0.993 10 10 CCCE C[C@@H](CO)CN(C)C(=O)[C@@H]1CNc2ccccc2N1 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O=C(N[C@H]1CNC[C@H]1C(F)(F)F)c1ccc(O)c(O)c1 2193238039 GNEYICAAZLHTOF-SFYZADRCSA-N 290.241 0.978 10 10 CCCE Nc1ccc(CC(=O)N[C@H]2C[C@@H](n3cncn3)C2)cc1 2184088439 GPZQNZIGPBOPAA-BETUJISGSA-N 271.324 0.923 10 10 CCCE O=S1(=O)CC2(CN1)CN(c1ccc3c(c1)CC[C@@H]3O)C2 2184730707 YRLYCYCIITUSPO-ZDUSSCGKSA-N 294.376 0.406 10 10 CCCE NC[C@]1(F)C[C@@H](NC(=O)c2cc(O)nc(O)c2)C1 2042823380 BNRDHRGGRKJTNH-DGFRNANFSA-N 255.249 0.052 10 10 CCCE O=C(NCc1ccccc1O)[C@@H]1CCNC[C@H]1F 2046082722 VYOODZIYASYLSM-GHMZBOCLSA-N 252.289 0.956 10 10 CCCE CO[C@@H]1C[C@H](O)CN(Cc2cc(N)ccc2O)C1 2046662684 BOVUJEHAMOQSEB-NWDGAFQWSA-N 252.314 0.556 10 10 CCCE C[C@@H](N)c1cc(F)c(N2CC[C@@](O)(C(N)=O)C2)c(F)c1 2194686434 BHCPKAGHNMNJDS-UHLUBPPHSA-N 285.294 0.411 10 10 CCCE O=[N+]([O-])c1ccc(N2CCn3nncc3C2)cc1CO 2186624869 UILBHVNAMYPXIP-UHFFFAOYSA-N 275.268 0.699 10 10 CCCE Nc1ccc(OC[C@H](O)CN2C[C@@H]3C[C@@H]3[C@H]2CO)cc1 2198999479 ZYLSDSCWHLXZST-MMMKDXCPSA-N 278.352 0.321 10 10 CCCE CN(C)C[C@H](O)CNC(=O)Nc1ccc(N)cc1 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10 10 CCCE CN(Cc1ccccc1O)C[C@H]1COCC2(CNC2)O1 2279196947 OZCCSRUCYRBIKE-ZDUSSCGKSA-N 278.352 0.581 10 10 CCCE CN(C)CC1(O)CN(c2ccc(CN)cc2F)C1 2320555615 UNCQWFCNJDWVPW-UHFFFAOYSA-N 253.321 0.397 10 10 CCCE Nc1ccc(OCC(=O)N2C[C@@H]3C[C@H]2[C@H]3CO)cc1 2333103958 PSXZEGMCOZDXBQ-XDTLVQLUSA-N 262.309 0.487 10 10 CCCE CS(=O)(=O)[C@H]1CC[C@H]1NC(=O)Nc1ccc(N)cc1 2342718656 GOJIXIGGRNEVRO-MNOVXSKESA-N 283.353 0.966 10 10 CCCE NCc1ccc(N2[C@H]3CC[C@@H]2C[C@@H](O)[C@@H]3O)c(F)c1F 2357054405 HWOROAVNMGGEFA-JMLLCIOISA-N 284.306 0.886 10 10 CCCE C[C@H](c1ccccc1O)N(C)C(=O)c1c[nH]c(=O)[nH]c1=O 38089669 GLTDVJMTKLVNLU-MRVPVSSYSA-N 289.291 0.602 10 10 CCCE COc1ccc(N2CCN(C(=O)COCCO)CC2)cc1 74641869 KKBKBVRJVGCHNZ-UHFFFAOYSA-N 294.351 0.353 10 10 CCCE C[C@@H]1C[C@@](NCCCN=[N+]=[N-])(C(N)=O)CN1C1CC1 123457453 PJBNSGPURKSOGF-SKDRFNHKSA-N 266.349 0.757 10 10 CCCE CCNC(=O)CCNC(=O)CCc1ccc(N)cc1 228303608 QGWMXMFOPMGRPP-UHFFFAOYSA-N 263.341 0.844 10 10 CCCE C[C@]1(O)CCN(c2ccc3c(c2)CC[C@@H]3O)C[C@H]1O 1893332354 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COCCN(CC(=O)O)Cc1ccc(OC)cc1O 86803846 VKBTUDZNGOYVKA-UHFFFAOYSA-N 269.297 0.934 10 10 CCCE COc1ccc(O)c(CN2CC(OC)(C(=O)O)C2)c1 1917713960 FUCFCRZMXGEUOC-UHFFFAOYSA-N 267.281 0.686 10 10 CCCE CN1CCN(C(=O)NCCOc2ccc(N)cc2)CC1 1918246189 PPIGGHNFFLWUJT-UHFFFAOYSA-N 278.356 0.605 10 10 CCCE COc1cc2c(cc1OC)N1CC[S@](=O)C[C@@H]1C(=O)N2 97828791 BTBFJMMNORMTAB-CFMSYZGJSA-N 296.348 0.593 10 10 CCCE C[C@H]1OC(=O)N[C@@H]1C(=O)NCc1c(O)cccc1O 1178910716 HHVCNBZQGCWJLD-LDWIPMOCSA-N 266.253 0.211 10 10 CCCE Cc1cc(CN)ccc1N1CC2(CNC(=O)N2C)C1 2121215242 XYXJQYKFRJLTRB-UHFFFAOYSA-N 260.341 0.668 10 10 CCCE COC(=O)[C@@H](C)CS(=O)(=O)NCc1ccc(N)cc1 2127133986 GMHNNISABPFMGI-VIFPVBQESA-N 286.353 0.497 10 10 CCCE COC(=O)[C@@](C)(N)[C@](C)(O)c1ccc(N(C)C)cc1 2121964942 DBIJWBGGEFLECT-ZIAGYGMSSA-N 266.341 0.851 10 10 CCCE O=C(N[C@@H]1CCNCC12CC2)c1cc(O)nc(O)c1 2129398781 XOLNZNBNYWWUBS-SECBINFHSA-N 263.297 0.365 10 10 CCCE C[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)C(C)(C)CN 2132420044 YUHBTYQXBNCEAJ-SSDOTTSWSA-N 268.313 0.907 10 10 CCCE CCn1cnc(S(=O)(=O)N(C)CCN=[N+]=[N-])c1 1912202431 HEGXWSRNXIQMQF-UHFFFAOYSA-N 258.307 0.834 10 10 CCCE COC(=O)[C@H]1C[C@@H](C(=O)NCc2cccc(O)c2O)C1 1347543243 ZALYRBMWYPYDJA-AOOOYVTPSA-N 279.292 0.913 10 10 CCCE CCOC(=O)[C@H](NC=O)[C@@H](O)c1ccc(N(C)C)cc1 1917188861 ZZYVHMLWCGJMEV-OLZOCXBDSA-N 280.324 0.464 10 10 CCCE NC(=O)C1(NC(=O)Cc2ccc(O)c(O)c2)CCCC1 1628113138 MLNPSZAEAJIMBY-UHFFFAOYSA-N 278.308 0.555 10 10 CCCE CN1CCc2c1cc(O)c1c2[C@](N)(C(=O)O)CCO1 212025779 WBJBTTKRYNHEJA-ZDUSSCGKSA-N 264.281 0.406 10 10 CCCE COc1c(C(=O)NCc2cc(O)ccc2O)cnn1C 1633599016 LHLICXUWYLBDSR-UHFFFAOYSA-N 277.280 0.770 10 10 CCCE COC(=O)NCCC(=O)NCc1cccc(O)c1O 1651173320 YSFHGVGHJGFDOF-UHFFFAOYSA-N 268.269 0.460 10 10 CCCE O=C1CCC[C@H](C(=O)NCc2c(O)cccc2O)N1 1652626605 ZMUICPGUNLMSIZ-SECBINFHSA-N 264.281 0.383 10 10 CCCE CN1CCN(c2ccc3c(c2)OCO3)[C@@H](CCO)C1 250396045 QUSQCFVNXSQYJQ-LBPRGKRZSA-N 264.325 0.918 10 10 CCCE C[C@H]1CN(C)C[C@@H](CN)N1c1ccc2c(c1)OCO2 251528483 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CN(C)c1ccc([C@H](NN)[C@@H]2CCN(C)S2(=O)=O)cc1 2145674825 FCDLKDYFYQXPEQ-STQMWFEESA-N 298.412 0.291 10 10 CCCE NC(=O)C1(CNCc2cc3c(cc2O)OCO3)CC1 1972481243 IUUYULQPJLJOGO-UHFFFAOYSA-N 264.281 0.476 10 10 CCCE Nc1ccc(CC(=O)NC[C@@H]2CCCS(=O)(=O)C2)cc1 1972447479 CTGCCAKFNBLIAN-LBPRGKRZSA-N 296.392 0.752 10 10 CCCE Nc1ccc(-n2ccc(C(=O)N3CC[C@H]3CO)n2)cc1 2148962742 LLXDSSXAPZMDPS-LBPRGKRZSA-N 272.308 0.661 10 10 CCCE Nc1ccc(O)c(CN2CC34COCC3(COC4)C2)c1 2150395914 JPSPGEMIKHFFAM-UHFFFAOYSA-N 276.336 0.823 10 10 CCCE Nc1ccc(OCCN2CC[C@H]3CS(=O)(=O)C[C@H]32)cc1 2151271964 ABPYPRFPJMTNTP-SMDDNHRTSA-N 296.392 0.767 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@H]2CC[C@H]2O)cc1 1998365715 DHBAMZFNALJXFT-WDEREUQCSA-N 256.327 0.212 10 10 CCCE CS(=O)(=O)[C@H]1COC[C@H]1Nc1ccc(N)cc1 2026337560 HMDKQJFZAOKRAB-MNOVXSKESA-N 256.327 0.493 10 10 CCCE CNS(=O)(=O)CCNCc1ccc(F)cc1O 294495879 BGJZIFRIHINSTC-UHFFFAOYSA-N 262.306 0.170 10 10 CCCE COC(=O)[C@H](NCCCO)c1cc(F)ccc1O 2028434148 ZDHPFGYHDHQEBX-LLVKDONJSA-N 257.261 0.717 10 10 CCCE CO[C@H](CCN)CNC(=O)c1ccc(O)c(O)c1 2049492410 IXUGVEVTRZTZIA-SECBINFHSA-N 254.286 0.191 10 10 CCCE COc1ccc(N2C[C@@H](O)[C@H](N(C)C)C2)c(N)c1 2029421858 IIMQEZFCAZFCTM-CHWSQXEVSA-N 251.330 0.389 10 10 CCCE C[C@H](O)CN(C[C@@H](C)O)C(=O)CCc1ccc(N)cc1 2159728076 AURUNRXPGVQPKE-TXEJJXNPSA-N 280.368 0.792 10 10 CCCE CO[C@@H]1CN(C(=O)c2ccc(O)c(O)c2)[C@H]2COC[C@@H]12 2158352530 HJNJRRLIESOFIS-GBIKHYSHSA-N 279.292 0.584 10 10 CCCE CS(=O)(=O)N1CC[C@H](NCc2ccc(O)c(O)c2)C1 400102127 AYPLPULMIUOXFW-JTQLQIEISA-N 286.353 0.221 10 10 CCCE CO[C@]1(CO)CCN(c2ccc([N+](=O)[O-])c(CO)c2)C1 401794838 IZUCVVYYECDYQD-CYBMUJFWSA-N 282.296 0.675 10 10 CCCE C[C@H](ONC(=O)NCc1ccc(N(C)C)cc1)C(=O)O 2160467163 DIPHNTGBQZVBJM-VIFPVBQESA-N 281.312 0.957 10 10 CCCE Nc1ccc(OCCN2CCC[C@@](O)(CO)C2)cc1 313663839 VMCRRGQRQVLAID-AWEZNQCLSA-N 266.341 0.467 10 10 CCCE Nc1ccc(CCC(=O)N2C[C@H]3C[C@H]2[C@H](O)[C@@H]3O)cc1 2160712810 BYQIXXHVYJCCED-BQPHKTIFSA-N 276.336 0.154 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CCC[S@@](=O)CC3)ccc21 321570760 CGBBBKIJAKIFQU-HXPMCKFVSA-N 279.365 0.597 10 10 CCCE N[C@H]1CC[C@H](NC(=O)c2cc(O)nc(O)c2)CC1 322563968 DJGHDNCSMIPIDG-KYZUINATSA-N 251.286 0.493 10 10 CCCE Nc1ccc(-n2ccc(C(=O)N[C@H]3CC[C@H]3O)n2)cc1 2161384400 JJIYSTICSQHXNQ-WCQYABFASA-N 272.308 0.708 10 10 CCCE CN1C(=O)[C@H](O)c2ccc(N3CC[C@@H]4C[C@@]4(O)C3)cc21 2171030169 XNLSJTQGBOKYGX-XXLQHYSLSA-N 274.320 0.658 10 10 CCCE CCCN(Cc1cc(N)ccc1O)[C@H]1CC(=O)NC1=O 2171197608 SQHYLHOGMURKCV-NSHDSACASA-N 277.324 0.602 10 10 CCCE CN1CCc2cc([C@@H](O)c3cn(C)nc3CN)ccc21 2179925888 VPUACAXMQHFEHO-OAHLLOKOSA-N 272.352 0.953 10 10 CCCE CO[C@@]1(C(=O)O)CCN(C(=O)c2cccc(O)c2O)C1 705956290 ZMMZIVFGPHGUQR-ZDUSSCGKSA-N 281.264 0.414 10 10 CCCE C[C@H]1CC(=O)NCCN1c1ccc(CN)cc1F 687917316 VYFSQKXKFGOHSS-VIFPVBQESA-N 251.305 0.999 10 10 CCCE COC[C@@](C)(NC(=O)c1cccc(O)c1O)C(=O)O 381062170 NQOVFNSTBKEGBJ-GFCCVEGCSA-N 269.253 0.317 10 10 CCCE CO[C@H](C)CN(C)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 383751448 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COc1cc(N)c(N(C)C[C@@H]2COCCN2)cc1OC 2191894311 PDLSKAUVONQDCG-SNVBAGLBSA-N 281.356 0.711 10 10 CCCE CCC[C@@H](Nc1c(N)cccc1C(N)=O)C(N)=O 2066438738 MIPZUFPAROABQH-SECBINFHSA-N 250.302 0.434 10 10 CCCE Nc1ccc(NC(=O)N[C@H](CO)CCCO)cc1 2071569136 XRDQPCSIAVCEOF-NSHDSACASA-N 253.302 0.524 10 10 CCCE Nc1ccc(CS(=O)(=O)NCCNC2CC2)cc1 2071663231 BQJIYYADDZQTHW-UHFFFAOYSA-N 269.370 0.440 10 10 CCCE C[C@@H](NC(=O)[C@H]1C[C@H](O)CN1)c1ccccc1O 2072484157 NJGKBXROJLJNCU-WCABBAIRSA-N 250.298 0.292 10 10 CCCE C[C@@H](O)c1cc(F)c(N2CCNC(=O)C2)c(F)c1 2074075574 IJOJJCRCCOUJQS-SSDOTTSWSA-N 256.252 0.954 10 10 CCCE O=C1NCC[C@@H]1CNCc1ccc(O)c(O)c1O 2075994629 PYUNZNNZXYIGRR-MRVPVSSYSA-N 252.270 0.029 10 10 CCCE O=C(NCC[C@@H]1COC[C@@H]1O)c1cccc(O)c1O 2111287331 HVHSPHGNLULHQO-KCJUWKMLSA-N 267.281 0.225 10 10 CCCE COc1ccc(N2CC(OCCCO)C2)c(N)c1 2085881867 UHBYMONTFFYSAK-UHFFFAOYSA-N 252.314 0.865 10 10 CCCE COC(=O)CN(C)C(=O)N(C)Cc1ccc(N)cc1 2107248048 ZORLVTTZUZHGOU-UHFFFAOYSA-N 265.313 0.925 10 10 CCCE 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O=C1Nc2cc(N3C[C@H]4C[C@H](O)[C@H]4C3)ccc2[C@@H]1O 2333483413 FQAROWRNJJWZPL-PXMUGDLCSA-N 260.293 0.489 10 10 CCCE OCc1ccc(N2C[C@@H](O)C[C@@H]2CO)cc1C1CC1 2339161430 ROGYOOFIJMPZJO-KGLIPLIRSA-N 263.337 0.988 10 10 CCCE CN(C[C@@H]1CCO1)c1cc2c(cc1N)OCC(=O)N2 2341145831 PTCFEEQWVKYCSK-QMMMGPOBSA-N 263.297 0.825 10 10 CCCE CSc1cc(N2CC(CNC(N)=O)C2)ccc1CN 2353858816 REZGXFSBWDVCMU-UHFFFAOYSA-N 280.397 0.972 10 10 CCCE CNC(=O)[C@@H]1CCCCN1CC(=O)c1ccc(O)c(O)c1 50147639 GNWJNHXHJWIKDO-NSHDSACASA-N 292.335 0.881 10 10 CCCE C[C@H](O)CN(CCO)c1c(F)cc(CN)cc1F 310795292 CDHNRRCGGZBPHO-QMMMGPOBSA-N 260.284 0.603 10 10 CCCE Nc1ccc(OCC(=O)N[C@@]23CCNC[C@@H]2C3)cc1 1892528092 MANHSMMWODUAQC-IINYFYTJSA-N 261.325 0.516 10 10 CCCE O=C(N[C@H]1C[C@@H](CO)[C@@H]2C[C@H]12)c1cc(O)c(O)c(O)c1 2356975546 YWFSHGXGQFZNNR-XKNYDFJKSA-N 279.292 0.550 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N3CC[C@@H]4COC[C@H]43)cc21 2357547998 KPESTMFQTOCHPU-FZQKWOKYSA-N 273.336 0.888 10 10 CCCE NC(=O)CC1CCN(c2ccc3c(c2)NC(=O)[C@H]3N)CC1 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CO[C@@H]1CS(=O)(=O)C[C@@H]1N[C@@H]1CCc2cccc(O)c21 697296802 YYWWABUKVVYPSI-NTZNESFSSA-N 297.376 0.781 10 10 CCCE COC(=O)[C@@]1(NCCCN=[N+]=[N-])C[C@H]2CN[C@@H](C2)C1 2126493621 BEVWNKSELHOLGZ-JBLDHEPKSA-N 267.333 0.960 10 10 CCCE C[C@H](O)[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C1CC1 2123496398 ZLHYJOUWSKYHPZ-RMLUDKJBSA-N 265.309 0.916 10 10 CCCE C[C@H](O)[C@H]1CCN1CC(=O)N(C)c1ccc(N)cc1 2125809734 YGQYINBXHNOOMR-GXFFZTMASA-N 263.341 0.687 10 10 CCCE CO[C@@H]1C[C@@H]1NS(=O)(=O)CCOc1ccc(N)cc1 2131668588 XCMIZQVORCRLQE-NWDGAFQWSA-N 286.353 0.354 10 10 CCCE C[C@@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)[C@@H]1CN 2132409027 BMAYTPKPJOXXAE-VXNVDRBHSA-N 266.297 0.613 10 10 CCCE C[C@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)CCC1=O 2132410795 PSQDSOMJCZAEFZ-ZETCQYMHSA-N 265.265 0.855 10 10 CCCE N[C@@]12CC[C@H]1CN(C(=O)c1cc(O)c(O)c(O)c1)C2 2132412286 BTLGHERISULSNS-ISVAXAHUSA-N 264.281 0.367 10 10 CCCE COC12CC(C1)N(C(=O)c1cc(O)c(O)c(O)c1)C2 2132408158 USTIKVDMGDZQCB-UHFFFAOYSA-N 265.265 0.807 10 10 CCCE COCCN1C[C@@H](C(=O)N2CC[C@@H](N=[N+]=[N-])C2)CC1=O 1912165308 JBDWDGUSLDTRCU-VHSXEESVSA-N 281.316 0.393 10 10 CCCE CCO[C@@H]1CS(=O)(=O)C[C@@H]1N1CCC[C@H](N=[N+]=[N-])C1 1912155340 PQVADCCZZCTHEM-GARJFASQSA-N 288.373 0.963 10 10 CCCE CCCS(=O)(=O)N[C@H](C)C(=O)N(C)CCCN=[N+]=[N-] 1912145574 IYDREMPLEQVTRR-SECBINFHSA-N 291.377 0.863 10 10 CCCE C[C@@H]1[C@@H](O)CCN1c1ccc2c(c1)N(C)C(=O)[C@H]2O 1914411659 OHPUDVCKZPRRDI-JCOFBHIZSA-N 262.309 0.656 10 10 CCCE C[C@@H](c1ccc(O)cc1O)N1C[C@H](O)C[C@@H]1C(=O)O 2136130468 SDIMGUIFPWCNQP-JVUFJMBOSA-N 267.281 0.679 10 10 CCCE COc1ccc(N2[C@H](CO)CNC[C@H]2C)c(OC)c1 217179392 IQASBFFCUIVMNE-MNOVXSKESA-N 266.341 0.863 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CCc2nn[nH]c2C1 1618265255 BEBXNZXJQBMZMH-UHFFFAOYSA-N 274.280 0.343 10 10 CCCE O=C(NCc1cccc(O)c1O)c1nsnc1O 1593744280 NEFPZYRASDOBOU-UHFFFAOYSA-N 267.266 0.585 10 10 CCCE COc1cc(N2CCCC[C@@H]2C(N)=O)ccc1CN 2139702453 KTDBHIVLFZXBSX-GFCCVEGCSA-N 263.341 0.998 10 10 CCCE Cc1cccc(CNC(=O)c2cn(C)[nH]c2=N)c1O 2139750669 KNCUNUOOJDKQBM-UHFFFAOYSA-N 260.297 0.777 10 10 CCCE COCCNCc1nc(-c2ccc(O)c(O)c2)no1 234654767 MQFXKFHUTXTKEA-UHFFFAOYSA-N 265.269 0.884 10 10 CCCE CC[C@H](NC)c1ccc(N2C[C@H](O)[C@H](O)C2)cc1 234041208 JLTNBKFVNHKUGD-MELADBBJSA-N 250.342 0.899 10 10 CCCE COc1cc(N)c(N2CC[C@@H](C(N)=O)C2)cc1OC 234913212 DJTOXSBDGJXYCW-MRVPVSSYSA-N 265.313 0.598 10 10 CCCE Nc1ccc(COC[C@H]2CCS(=O)(=O)N2)cc1 1942330855 PKZITBWUMVRZFL-LLVKDONJSA-N 256.327 0.477 10 10 CCCE C[C@H]1NCCC[C@H]1NS(=O)(=O)Cc1ccc(N)cc1 1876416781 BEZVQGAPKHODEG-ZWNOBZJWSA-N 283.397 0.829 10 10 CCCE CNC[C@H]1CN(C(=O)Cc2ccc(N)cc2)CCO1 1876476950 CPLWGUMQYKKNFI-ZDUSSCGKSA-N 263.341 0.258 10 10 CCCE C[C@H](NC(=O)C[C@@H]1CNC[C@@H]1O)c1ccccc1O 1877588736 XNSREYULVVJRBM-CWSCBRNRSA-N 264.325 0.540 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NO[C@@H](C(=O)O)C1CC1 2144018943 KTVLFIGGYRTOBW-GFCCVEGCSA-N 281.264 0.551 10 10 CCCE O=C(C[C@@H]1CCCN1)NCCc1ccc(O)c(O)c1 1968738955 IAJOVDVBZXXFPP-NSHDSACASA-N 264.325 0.899 10 10 CCCE Nc1cccc(F)c1N[C@@H]1[C@H]2CS(=O)(=O)C[C@H]21 2006191178 XBTAVPDWMGXJCM-MTBHXBHISA-N 256.302 0.863 10 10 CCCE CO[C@@H]1CN[C@H](CNC(=O)Cc2ccc(N)cc2)C1 1972316072 RHLBBLFXRSWCIC-STQMWFEESA-N 263.341 0.304 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NC[C@H]1C[C@@H](O)CCO1 2154218582 BVPOWHXAHQCUOP-WDEREUQCSA-N 281.308 0.296 10 10 CCCE Cc1cc(N2C[C@@H](CO)C[C@@H]2CO)ccc1CO 2029386155 UIJWJJJXCMAKAL-SMDDNHRTSA-N 251.326 0.667 10 10 CCCE COCC[C@H](CN)NC(=O)c1cccc(O)c1O 310578973 MHJUWXOOXQZIIY-MRVPVSSYSA-N 254.286 0.191 10 10 CCCE COC(=O)[C@@]1(NCCN=[N+]=[N-])CCS(=O)(=O)[C@H]1C 311151716 JCEWWSCBVGPQAW-IONNQARKSA-N 276.318 0.005 10 10 CCCE C[C@@H](N)c1ccc(N2C[C@H]3C[C@H]2CS3(=O)=O)cc1O 322126903 SOEZCACATGDIQC-DVVUODLYSA-N 282.365 0.788 10 10 CCCE C[C@@H](c1ccccc1O)N(C)S(=O)(=O)N1CC(CN)C1 2161194834 XOGIDCZBFZVYAR-JTQLQIEISA-N 299.396 0.520 10 10 CCCE C[P@]1(=O)C[C@@H](O)[C@H](NCc2cc3c(cc2O)OCO3)C1 2177851487 UJORJKOLHXGSQZ-GYKIULCDSA-N 299.263 0.947 10 10 CCCE C[C@@H]1CN(CC(=O)Nc2ccc(N)cc2)C[C@@H]1CO 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C[C@@H](N)c1ccc(N2CC[C@]3(C2)NC(=O)NC3=O)cc1 2170618390 PQFRSZYDYFVGMO-YMTOWFKASA-N 274.324 0.495 10 10 CCCE O=C1Nc2cc(N3CC[C@@H]4C[C@@]4(O)C3)c(F)cc2[C@H]1O 2171029688 VCYMNUQRUJXJQX-QVCNTJRGSA-N 278.283 0.772 10 10 CCCE CN(Cc1cnn(C)c1)C(=O)c1cc(O)c(O)c(O)c1 2188867818 HIBAQFHCCBULHX-UHFFFAOYSA-N 277.280 0.809 10 10 CCCE C[C@@H](c1ccccc1O)N1CCS(=O)(=O)CC12CNC2 2183500595 SIHWPMBIYVNAPP-NSHDSACASA-N 296.392 0.526 10 10 CCCE NC(=O)c1cc(N)cnc1OCCc1ccc(N)cc1 2198860397 YXCPTXSOLUXSEO-UHFFFAOYSA-N 272.308 0.966 10 10 CCCE O[C@H]1[C@H]2C[C@H](CN(c3ccc4c(c3)CC[C@H]4O)C2)[C@@H]1O 2184738355 SBEOQEJPSASHRV-GXZBSRFJSA-N 275.348 0.844 10 10 CCCE CN1CCc2cc([C@@H](N)[C@H]3CCS3(=O)=O)ccc21 2044754957 RNHYYCABFRUUJJ-CHWSQXEVSA-N 266.366 0.866 10 10 CCCE Nc1ccc(CC(=O)N[C@@H]2[C@@H]3C[C@H]4[C@H](CN[C@H]42)C3)cc1 2191664404 VCNGUZUMZLYULW-XNHOIOAFSA-N 271.364 0.924 10 10 CCCE CC1(C)CNC[C@H]1CC(=O)C(=O)C[C@H]1C[C@H](N)C1 2052876106 CNQBAMFQJJABLA-GMTAPVOTSA-N 252.358 0.888 10 10 CCCE 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O=C(N[C@H]1CCCC12CNC2)c1cc(O)nc(O)c1 1918956235 LGUBVLCOFFFNAV-VIFPVBQESA-N 263.297 0.365 10 10 CCCE C[C@@H](O)c1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CO)cc1Cl 2136290080 YKMHBRZWYKCFCV-HPXOCHMKSA-N 287.743 0.296 10 10 CCCE C[C@@H](NC[C@@]1(O)CCOC1)c1ccc(O)cc1O 227119345 CPSDPEOGLAMQAG-RNCFNFMXSA-N 253.298 0.900 10 10 CCCE CC(=O)N1CCN([C@@H](C(=O)O)c2cc(C)ccc2O)CC1 211849488 ROLFYEOLZGUZND-CQSZACIVSA-N 292.335 0.990 10 10 CCCE COc1cc(-c2noc(-c3nnsc3N)n2)ncn1 1923201419 NSJNCYJESPHKOQ-UHFFFAOYSA-N 277.269 0.636 10 10 CCCE CCCN(CC(=O)NC)C(=O)Cc1ccc(O)c(O)c1 1626527317 LKQVKJFSGFNLDT-UHFFFAOYSA-N 280.324 0.625 10 10 CCCE COc1cc2c(cc1OC)N(C)[C@@H](CCN)C(=O)N2 215557365 KHSBMGQCTWVOND-VIFPVBQESA-N 265.313 0.810 10 10 CCCE COc1ccc(N2CCN[C@@H](C(=O)O)C2)cc1OC 217171711 YJTASIVOVOHCSY-SNVBAGLBSA-N 266.297 0.567 10 10 CCCE Cn1cnnc1NC(=O)/C=C\c1ccc(O)c(O)c1 1556147885 NZHUGLVDLXSKST-HYXAFXHYSA-N 260.253 0.878 10 10 CCCE CN1CCCN(C(=O)Nc2ccc(N)cc2)CC1=O 228931402 YXMQETIDMPYWCT-UHFFFAOYSA-N 262.313 0.965 10 10 CCCE COc1ccc(N(C)C[C@@H](O)CCN)cc1OC 259149694 FNERWRDJUGZNTE-NSHDSACASA-N 254.330 0.850 10 10 CCCE O=C(COC[C@H]1CCCO1)NCc1cc(O)ccc1O 1643881812 GNIHZKJBQGKTMD-GFCCVEGCSA-N 281.308 0.910 10 10 CCCE NC(=O)N=Nc1ccc(C(=O)N2CC=C(N)N2)cc1 1644883940 LCVMEZXKGFQBOW-UHFFFAOYSA-N 260.257 0.610 10 10 CCCE CC(=O)c1ccc(O)c(CN2C[C@H](O)[C@@H](O)C2)c1 232459237 FHUKNWMQPBRCGN-STQMWFEESA-N 251.282 0.132 10 10 CCCE Cc1cccc(CNC(=O)[C@@H](N)[C@@H]2CCCO2)c1O 2139743887 QJOBCNDPPRISBN-RYUDHWBXSA-N 264.325 0.823 10 10 CCCE Cc1cccc(CNC(=O)C[C@@H]2CNC[C@H]2O)c1O 2139749954 AUAOSTDIJQKVNA-VXGBXAGGSA-N 264.325 0.287 10 10 CCCE CC(=O)NC(NC(C)=O)c1cc([N+](=O)[O-])ccc1O 12364226 MRSZDQVGYOYOAJ-UHFFFAOYSA-N 267.241 0.571 10 10 CCCE CNCc1ccc(N2CC(=O)NC(=O)[C@@H]2C)cc1Cl 234423058 ANEHUPRSSHQMDC-QMMMGPOBSA-N 281.743 0.911 10 10 CCCE C[C@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)[C@@H]1C(=O)O 2144030627 QKBOTIJSQNDWFZ-SDBXPKJASA-N 279.292 0.962 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CC2(CCCO2)C1 1148582498 ISNOKPYNRHHZEJ-UHFFFAOYSA-N 265.265 0.808 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CCO[C@H]2COC[C@H]21 1877613796 LYNFIEZRGYBULE-SKDRFNHKSA-N 265.265 0.338 10 10 CCCE NC1(c2nc(-c3ccc(O)c(O)c3)no2)CC(O)C1 1878971550 VLLGFKQLSFOYPQ-UHFFFAOYSA-N 263.253 0.457 10 10 CCCE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NCCCN=[N+]=[N-] 1882301407 INNPNFWRLVVLRG-QMMMGPOBSA-N 287.320 0.689 10 10 CCCE CN(CC(=O)N(C)c1ccc(N)cc1)CC(F)(F)CO 2150990058 NSQMOIMKETXELE-UHFFFAOYSA-N 287.310 0.791 10 10 CCCE C[C@H](N)c1ccc(N2C[C@@]3(CO)C[C@]3(CO)C2)cc1O 2146305603 HSUMRQHHIIIKAP-COLVAYQJSA-N 278.352 0.593 10 10 CCCE C[C@@H](N)c1cnc(SC2=NC(=O)CC(=O)N2)s1 1997409899 SSNOCFKWOVYRQU-SCSAIBSYSA-N 270.339 0.657 10 10 CCCE C[C@@]12C[C@@H]1CN(C(=O)[C@@H](N)Cc1ccc(O)c(O)c1)C2 2152353614 PLQILVUOHGRONE-ZETOZRRWSA-N 276.336 0.836 10 10 CCCE O=C(NC1CC1)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 40529153 QIDDIGHUZLKBKD-VIFPVBQESA-N 280.280 0.555 10 10 CCCE CN(C(=O)NCS(C)(=O)=O)c1ccc(N)cc1 2024065490 LSGZQYWJJRPUTP-UHFFFAOYSA-N 257.315 0.417 10 10 CCCE Cc1cc(N2C[C@@H](O)[C@H](N(C)C)C2)ccc1CO 2029434963 LEIXUPRLKXTEOO-ZIAGYGMSSA-N 250.342 0.598 10 10 CCCE C[C@@H](CS(N)(=O)=O)N[C@H](C)c1cc(F)ccc1O 2035455016 SXFSVKAEHIIMAD-JGVFFNPUSA-N 276.333 0.859 10 10 CCCE Nc1ccc(CC(=O)NCC[C@H](F)C(=O)O)cc1 2040617164 SFXUSLMZMWTWAL-JTQLQIEISA-N 254.261 0.740 10 10 CCCE CN(Cc1ccccc1O)C[C@H](O)CN1CCCC1=O 305181029 BMKDGEYXQIZIRK-ZDUSSCGKSA-N 278.352 0.807 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CC[C@H]2OCCN[C@@H]2C1 404010892 PUMARGCHDXXGDI-ZWNOBZJWSA-N 278.308 0.301 10 10 CCCE CC[C@@H](O)c1ccc(N2CCN(CCO)C(=O)C2)cc1 2171074525 OGVKHNIJTFLBLM-CQSZACIVSA-N 278.352 0.771 10 10 CCCE Cn1cc(C(=O)NCc2ccccc2O)n(C)c1=O 710379389 GIOXIGBPFAFHOO-UHFFFAOYSA-N 261.281 0.359 10 10 CCCE O=C(NC[C@H]1CCO[C@H]1C(=O)O)c1ccc(O)c(O)c1 715127729 GNBVZHWCEPAFJR-LDYMZIIASA-N 281.264 0.317 10 10 CCCE COc1cccc(O)c1CN1CC([C@H](OC)C(=O)O)C1 2172355041 CELMAHAKZQALFL-ZDUSSCGKSA-N 281.308 0.932 10 10 CCCE NC(=O)N1CCN(Cc2cccc(F)c2O)CC1 722179095 HHBRQUHCFKOPHQ-UHFFFAOYSA-N 253.277 0.728 10 10 CCCE C[C@@H](C[S@@](C)=O)N(C)CC(=O)Nc1ccc(N)cc1 398887494 KXUQCMZXFVKART-APBUJDDRSA-N 283.397 0.906 10 10 CCCE NC(=O)CCS(=O)(=O)CCCOc1ccc(N)cc1 399249945 MBAYTUJBTGDESU-UHFFFAOYSA-N 286.353 0.328 10 10 CCCE C[C@H](c1cc(O)ccc1O)N1C[C@H](O)[C@H](CC(=O)O)C1 2174353514 ZTZPJAFUJMYEOC-KKFJDGPESA-N 281.308 0.926 10 10 CCCE CN(CC1(S(C)(=O)=O)CC1)C(=O)Cc1ccc(N)cc1 2167826233 UDNJPIDJFZYQMW-UHFFFAOYSA-N 296.392 0.847 10 10 CCCE CN(Cc1ccccc1O)C(=O)N1CC(C(=N)NO)C1 2192603255 CYYDCCYUNRWMHX-UHFFFAOYSA-N 278.312 0.832 10 10 CCCE CN(c1ccc(CO)c([N+](=O)[O-])c1)C1COCCOC1 2188573060 ACEODLQWXKBUKI-UHFFFAOYSA-N 282.296 0.939 10 10 CCCE CCN=c1cc[nH]c(=NCCc2ccc(O)c(O)c2)[nH]1 2181946676 BNSBXZNZYLSFAX-UHFFFAOYSA-N 274.324 0.818 10 10 CCCE CC[C@@H](O)c1ccc(N2CC3(C2)OC[C@@H](O)[C@@H]3O)cc1 2183639450 DSGSJWIAJOALEU-MCIONIFRSA-N 279.336 0.441 10 10 CCCE C[C@H](O)c1ccc(N2C[C@@H](O)C[C@@H](O)C2)cc1O 2043181143 DEIRDUKERXSEKP-INTQDDNPSA-N 253.298 0.377 10 10 CCCE NC(=O)[C@@]1(O)CCCN(c2ccc3c(c2)CC[C@H]3O)C1 2184741985 QZQJSNAAAXNKEP-UKRRQHHQSA-N 276.336 0.483 10 10 CCCE CS(=O)(=O)N[C@H]1CCN(c2ccc3c(c2)CC[C@@H]3O)C1 2184734824 YLZNEBGMXLBLBK-FZMZJTMJSA-N 296.392 0.794 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCN1CC(=O)N1CCCC1=O 2059052570 CVWWKOSETKGHNY-VIFPVBQESA-N 251.290 0.910 10 10 CCCE Nc1ccc(OCC(=O)N2CCNCC(F)(F)C2)cc1 2191705676 DVAYHZVIKPMCEG-UHFFFAOYSA-N 285.294 0.715 10 10 CCCE CO[C@@H]1CN(c2cc3c(cc2N)NC(=O)CC3)C[C@@H]1N 2191787800 KSKVFDPUNMJGRQ-GXFFZTMASA-N 276.340 0.316 10 10 CCCE C[C@H](c1c(O)cccc1O)N1C[C@@H]2C[C@H]1CN2C(N)=O 2192234245 OMLFTGKICVDECU-UTLUCORTSA-N 277.324 0.996 10 10 CCCE CN([C@@H]1CCNC1)S(=O)(=O)Cc1ccc(N)cc1 2071573728 CUOWUWHTRONBRN-GFCCVEGCSA-N 269.370 0.392 10 10 CCCE N=c1ccc(S(=O)(=O)Nc2ccc(N)cc2)c[nH]1 2071662472 RAQOAEAQCKENBC-UHFFFAOYSA-N 264.310 0.877 10 10 CCCE CCOC(=O)[C@@H](O)CN(C)Cc1ccccc1O 2072450376 KCJAMKDPEFXKPF-LBPRGKRZSA-N 253.298 0.748 10 10 CCCE Oc1ccc(CNC[C@@H]2CO[C@@H]3COC[C@H]32)cc1O 2101839240 ISFSGSVKCJACHL-UHIISALHSA-N 265.309 0.849 10 10 CCCE Oc1cc(F)ccc1CN1C[C@H](O)CC12CNC2 2084074242 UZZILBTYFUJSDB-LLVKDONJSA-N 252.289 0.440 10 10 CCCE CC1CC(CO)(NC(=O)COc2ccc(N)cc2)C1 2107263736 ZAFXSEWCTWPHEJ-UHFFFAOYSA-N 264.325 0.925 10 10 CCCE CN(C(=O)CN1CC=C[C@H](O)C1)c1ccc(N)cc1 2108774998 STIKIZHYXDUXTE-ZDUSSCGKSA-N 261.325 0.464 10 10 CCCE C[C@H](N[C@@H]1C[C@H](O)[C@H](O)[C@H]1O)c1ccc(F)cc1O 2108828969 MPNCZYURVKKOJY-LKBQTESNSA-N 271.288 0.037 10 10 CCCE Nc1ccc(OCCNS(=O)(=O)NC2CCC2)cc1 2089249229 VFLILLWAOYZCMW-UHFFFAOYSA-N 285.369 0.624 10 10 CCCE NC(=O)C1(N)CN(c2ccc(OC(F)(F)F)cc2)C1 2109485661 OQYIKQZKQCKELN-UHFFFAOYSA-N 275.230 0.588 10 10 CCCE CN1CCN(c2ccc(CO)cc2[N+](=O)[O-])[C@H]2C[C@H]21 2112100227 CVKPXGBWVCNGNZ-NEPJUHHUSA-N 263.297 0.980 10 10 CCCE COC[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)C(N)=O 2096065095 JDCFUSYWSFBUIE-ZWNOBZJWSA-N 265.357 0.904 10 10 CCCE [N-]=[N+]=N[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cn[nH]c1 2213592251 RVDNSMAAUFTOKT-SFYZADRCSA-N 256.291 0.919 10 10 CCCE COCc1nc(=NC(=O)c2ccc(O)c(O)c2)n(C)[nH]1 2205714712 FVYNRCNUUDWHBV-UHFFFAOYSA-N 278.268 0.047 10 10 CCCE Cc1cc([C@@H](C)O)ccc1N1CC(OCC(N)=O)C1 2232102059 GNOGLUFGOICTBG-SNVBAGLBSA-N 264.325 0.739 10 10 CCCE CCNCc1cc(OC)ccc1N1CC(=O)NC(=O)C1 2235971818 GVCKOKQAXNBDRP-UHFFFAOYSA-N 277.324 0.268 10 10 CCCE COc1ccc(N2CC[C@]3(CNC(=O)N3)C2)c(C=O)c1 2235987435 MRPLKTSYIYBSIG-AWEZNQCLSA-N 275.308 0.769 10 10 CCCE CCN(C)S(=O)(=O)N1CCN(c2ccc(N)cc2)CC1 2236474341 BZWAMRXTAFWIFH-UHFFFAOYSA-N 298.412 0.587 10 10 CCCE CCNCc1cc(OC)ccc1N1CC(O)(CO)C1 2227680119 SDWGPNZUCAOEKT-UHFFFAOYSA-N 266.341 0.348 10 10 CCCE CO[C@@H]1CCN[C@H](C)[C@@H]1NC(=O)c1ccc(O)c(O)c1 2238969443 QYCAQZSKYIHJCY-WQHBLYJGSA-N 280.324 0.593 10 10 CCCE COC[C@H](N)[C@@H](CO)N(C)c1ccc(OC)cc1 2253404820 VJSYFSTXYNOPCT-QWHCGFSZSA-N 254.330 0.466 10 10 CCCE CN1CC(N(C)Cc2ccc(N3CCNCC3)cc2)C1 2286068459 RRKBPUWWNROBSV-UHFFFAOYSA-N 274.412 0.842 10 10 CCCE O[C@H]1[C@H]2C[C@@H]([C@@H]1O)N(c1ccc(OCF)cc1)C2 2263947267 FGFAYXTZQBPTKG-WTFGDDLMSA-N 253.273 0.923 10 10 CCCE CN(C)C(=O)[C@@H]1C=CCN1Cc1cc(N)ccc1O 2265520797 LQKGGOARJWUAMY-LBPRGKRZSA-N 261.325 0.803 10 10 CCCE O=C(NC1C[C@@H]2CC[C@H](C1)C2O)c1cc(O)nc(O)c1 2285803477 YTZUQGATNSIERE-LVUSLIMOSA-N 278.308 0.772 10 10 CCCE COc1ccc(N2C[C@@H]3C[C@H]2[C@@H](O)[C@H]3O)c(N)c1 2308771910 VFCFSCKQTMKBOH-GIMBAOAISA-N 250.298 0.208 10 10 CCCE N[C@@H]1C[C@@H]2C[C@H](C1)N(C(=O)c1cc(O)nc(O)c1)C2 2332122910 HHTAQCIGJFHIAE-SZEHBUNVSA-N 263.297 0.445 10 10 CCCE Nc1ccc(OCC(=O)N2C[C@H]3CC[C@@H]2[C@@H]3N)cc1 2332136996 KQIPUTZTGSDWLJ-GAJTVXKRSA-N 261.325 0.596 10 10 CCCE COc1ccc(O)c(CN[C@H]2CCC[C@@H](O)[C@H]2O)c1 2333449589 JIMKRDAPGVJJAJ-YUTCNCBUSA-N 267.325 0.765 10 10 CCCE N=C(NO)C1(F)CN(C(=O)c2ccc(O)c(O)c2)C1 2339620343 CSXMPASEFLSWSO-UHFFFAOYSA-N 269.232 0.218 10 10 CCCE Cc1cc(NS(=O)(=O)c2c[nH][nH]c2=N)cc(C)c1O 2340910684 GPKOMLCQEOINQF-UHFFFAOYSA-N 282.325 0.946 10 10 CCCE NC[C@@H]1C[C@@H]2CC[C@H]1N2C(=O)c1cc(O)c(O)c(O)c1 2356974940 HSBMSVHWRWFXNY-LPEHRKFASA-N 278.308 0.755 10 10 CCCE C[C@]1(O)CCN(C(=O)c2ccc(O)c(O)c2)C[C@H]1O 1893300460 NIWPUETYROJONG-YPMHNXCESA-N 267.281 0.056 10 10 CCCE CN(Cc1ccc(N)cc1)C(=O)CS(C)(=O)=O 70127315 HLXVWYXEWPLZQD-UHFFFAOYSA-N 256.327 0.272 10 10 CCCE CC(C)C[C@@H](O)CNC(=O)c1cc(O)nc(O)c1 226190977 TVEKWRBVPSZFBE-SECBINFHSA-N 254.286 0.630 10 10 CCCE CC(=O)OCCN1C2=CC(=O)NNC2=Nc2ccccc21 85381251 JHTHXASDHOVECP-UHFFFAOYSA-N 286.291 0.618 10 10 CCCE CCN1CCC[C@@](NCCN=[N+]=[N-])(C(N)=O)CC1 90257821 AIMGNXWXHWHUNQ-NSHDSACASA-N 254.338 0.616 10 10 CCCE COC(=O)[C@H](N)C1(c2ccc(O)c(CN(C)C)c2)CC1 1952857965 IIVSMURUXVTGAT-ZDUSSCGKSA-N 278.352 0.986 10 10 CCCE CC(=O)C(=O)COC(=O)c1c2c(nn1C)CCC2 923299707 WDFLJIYRUATQBO-UHFFFAOYSA-N 250.254 0.224 10 10 CCCE C[C@@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CCO1 1119000213 NFHQEXTUCZBDFA-SNVBAGLBSA-N 290.319 0.482 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NC[C@H](O)c1cnc[nH]1 1558341657 MDARKXFZSWUNLV-LBPRGKRZSA-N 277.280 0.213 10 10 CCCE CCOC[C@H](O)CNCc1ccc(OC)cc1O 386042729 ZZMLAFSYNMRBOX-LLVKDONJSA-N 255.314 0.888 10 10 CCCE COc1cccc(CN2CC(O)(c3ncnn3C)C2)c1O 895620323 BMGLODYPZMFYGX-UHFFFAOYSA-N 290.323 0.233 10 10 CCCE [N-]=[N+]=NCCNC(=O)c1cc([N+](=O)[O-])cnc1O 701331849 BMDKFAVABQFRTQ-UHFFFAOYSA-N 252.190 0.736 10 10 CCCE CO[C@H]1CNC[C@H]1C(=O)N(C)Cc1ccccc1O 690923436 IWHHJBUTQYQGTQ-YPMHNXCESA-N 264.325 0.585 10 10 CCCE CN(CCN[C@@H]1CCc2cccc(O)c21)S(C)(=O)=O 709546551 SDTSPIJKNZRPHH-LLVKDONJSA-N 284.381 0.861 10 10 CCCE C[C@@H]1CS(=O)(=O)C[C@H]1NCc1ccc(O)c(O)c1O 711663072 OPUMWLIJFVTKEK-VXNVDRBHSA-N 287.337 0.326 10 10 CCCE C[C@@H]1C[C@@H](NC(=O)Cc2ccc(O)c(O)c2)C(=O)O1 1141651408 HQNCPZNYXSKHRM-VXNVDRBHSA-N 265.265 0.461 10 10 CCCE CN1C(=O)[C@@H](O)c2ccc(N3CCC34COC4)cc21 2115221385 BFSUASMQQDOKDN-LBPRGKRZSA-N 260.293 0.676 10 10 CCCE Oc1c(F)cccc1CN[C@@]12CC[C@@H](C1)[C@@H](O)[C@@H]2O 2120394413 LKMNOUYSMMKEHN-ISTUKMMPSA-N 267.300 0.895 10 10 CCCE C[C@H](c1cc(O)ccc1O)N1C[C@@H](O)CC12CNC2 2130062655 MPCUXEKRHRXMEL-KOLCDFICSA-N 264.325 0.567 10 10 CCCE CN1C(=O)C[C@@H](N2CCC(CN=[N+]=[N-])CC2)C1=O 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CCN[C@H](c1ccccc1O)[C@]1(O)CCS(=O)(=O)C1 2091866548 GTOOFXFDLHPYNE-OLZOCXBDSA-N 285.365 0.592 10 10 CCCE [N-]=[N+]=NCCN[C@@]1(C(=O)O)CCCO[C@@]12CCOC2 2098892277 BCUXQGRPORXFRP-GHMZBOCLSA-N 270.289 0.679 10 10 CCCE C[C@@]1(O)CN(CC(=O)Nc2ccc(N)cc2)CC[C@H]1O 2201495347 BOUQQLHTNXYMRT-TZMCWYRMSA-N 279.340 0.025 10 10 CCCE Cc1cc(CN)ccc1N1CC[C@H](C(CO)CO)C1 2114247167 ATJZLMIOEINVGP-ZDUSSCGKSA-N 264.369 0.881 10 10 CCCE CC(C)(C)OC(=O)NC1(CCOc2nnc(=N)[nH]n2)CC1 2209555893 LSLLKLXAXMJFFN-UHFFFAOYSA-N 296.331 0.505 10 10 CCCE [N-]=[N+]=NCCN[C@H](C(N)=O)c1cccc2c1OCO2 2225456055 IAKSFSLCZWKXCZ-VIFPVBQESA-N 263.257 0.842 10 10 CCCE OC[C@@H]1NC[C@@H]2CN(c3ccc4c(c3)OCCO4)C[C@@H]21 2235551004 ADNMVQCYCIPMBJ-WXHSDQCUSA-N 276.336 0.474 10 10 CCCE COc1cc(C)c(N2C[C@H](O)[C@H](O)[C@@H]2CO)cc1C 2226769183 JZOHESNLRJRHBP-SGMGOOAPSA-N 267.325 0.215 10 10 CCCE C[C@]1(CO)C[C@H](O)CN1c1ccc2c(c1)OCCO2 2226771097 UTOHKHQIUFTRRE-SMDDNHRTSA-N 265.309 0.780 10 10 CCCE OC[C@@H]1NC[C@@H]2CN(Cc3ccc(O)cc3O)C[C@H]21 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O=C(NCCc1ccc(O)c(O)c1)[C@]12CC[C@@H]1CNC2 2151406711 LBYJQWBANUCERE-ABAIWWIYSA-N 276.336 0.756 10 10 CCCE CC(=O)C(=O)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 2003419169 GBRZIGXPDIZGBG-NSHDSACASA-N 256.279 0.282 10 10 CCCE Nc1ccc(CCNC(=O)[C@H]2CCCCS2(=O)=O)cc1 167838359 AQPHCHPGAFGQCN-CYBMUJFWSA-N 296.392 0.895 10 10 CCCE CC(C)(C)NC(=O)CNC(=O)Cc1ccc(N)cc1 35661178 OHSGBUYIDBTGOI-UHFFFAOYSA-N 263.341 0.842 10 10 CCCE C[C@@H](NC1CCN(CC(N)=O)CC1)c1ccccc1O 37140563 RROHUWMBIOMFFQ-LLVKDONJSA-N 277.368 0.993 10 10 CCCE COc1cccc(O)c1[C@@H](C(=O)O)N1CCCNCC1 2160725689 WEVFLMZHEVAINS-ZDUSSCGKSA-N 280.324 0.822 10 10 CCCE COCCN1C[C@H](O)[C@@H](N2CCC[C@@H](CN=[N+]=[N-])C2)C1 2156902410 ZMDMXCQJQOINCR-AVGNSLFASA-N 283.376 0.700 10 10 CCCE [N-]=[N+]=N[C@H]1CCCN(C[C@H]2CCS(=O)(=O)N2)CC1 2038007181 MDQUHLIDNNRYEY-VHSXEESVSA-N 273.362 0.843 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1C[C@@H]1C(=O)O 2039781587 OUNQBHBZYZRGBC-YUMQZZPRSA-N 251.238 0.230 10 10 CCCE C[C@H](NCCCCS(N)(=O)=O)c1c(O)cccc1O 311890179 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CC[C@@H](CNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1)OC 381222268 WMROFQDOEOXAGT-QWRGUYRKSA-N 282.340 0.509 10 10 CCCE COc1cccc(CN2CCO[C@@]3(CCNC3)C2)c1O 717412551 WRYFJLPJKXUBOO-OAHLLOKOSA-N 278.352 0.965 10 10 CCCE Nc1ccc(OC[C@@H](O)CN2C[C@H]3C[C@H]2CO3)cc1 387389021 IAGXIELCRICJON-SGMGOOAPSA-N 264.325 0.482 10 10 CCCE CC[C@H](NS(=O)(=O)Cc1ccc(N)cc1)C(=O)OC 388458210 LWCFETFVOIKPFX-NSHDSACASA-N 286.353 0.640 10 10 CCCE CS(=O)(=O)C1(CNC(=O)Nc2ccc(N)cc2)CC1 393707441 MFNGNXOKLOSERL-UHFFFAOYSA-N 283.353 0.968 10 10 CCCE COc1ccc(O)c([C@@H](C)N[C@@H]2CN(C)NC2=O)c1 393920694 GMDRXQXOIXMRGA-LDYMZIIASA-N 265.313 0.397 10 10 CCCE CN(Cc1nncn1C)c1cc2c(cc1N)OCCO2 394466488 WKZMJSKVZBBHJX-UHFFFAOYSA-N 275.312 0.805 10 10 CCCE Nc1ccc(OCC(=O)NCc2csnn2)cc1 398238293 ADLWURPVAWQOTM-UHFFFAOYSA-N 264.310 0.816 10 10 CCCE Nc1ccc(OCCN2CCN(C3COC3)CC2)cc1 2169582535 HOMDLSNIARWWNI-UHFFFAOYSA-N 277.368 0.664 10 10 CCCE CO[C@H]1C[C@H](CO)N(c2ccc(CO)c([N+](=O)[O-])c2)C1 2188576253 MRJHYVNRTQAQKC-NEPJUHHUSA-N 282.296 0.673 10 10 CCCE C[C@@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)C[C@@H]1CN 2188920699 XOBNYSQEBQLSCD-SCZZXKLOSA-N 280.324 0.860 10 10 CCCE NC(=O)CO[C@H]1CCN(c2ccc3c(c2)CC[C@H]3O)C1 2184733280 GDRGRNCLPCHPIT-GXTWGEPZSA-N 276.336 0.747 10 10 CCCE O=C(c1cccc(O)c1O)N1CCO[C@@H]2C[C@H](O)C[C@H]21 2185336284 DFIJPUOTGZYERL-HLUHBDAQSA-N 279.292 0.462 10 10 CCCE COC(=O)[C@@H](C1CC1)S(=O)(=O)N1CC(N=[N+]=[N-])C1 2048190780 CGLWTBFIBAKILS-MRVPVSSYSA-N 274.302 0.262 10 10 CCCE CN(C[C@H]1CCN1C)c1cc2c(cc1N)OCC(=O)N2 2186449700 BQZHKLJHPJIJAQ-SECBINFHSA-N 276.340 0.740 10 10 CCCE N[C@H]1CCc2cc(N3CC[C@H]4C[C@H]3[C@H](O)[C@H]4O)ccc21 2199530113 BTKLXMNNEBZPCA-QZXGQWDYSA-N 274.364 0.953 10 10 CCCE COc1ccc(O)c([C@H](C)N2C[C@@H](O)CC23CNC3)c1 2186615552 PDZLEJGTPHRIIE-QWRGUYRKSA-N 278.352 0.870 10 10 CCCE O=C(c1cccc(O)c1O)N1C[C@@H](F)[C@@H](CO)C1 2056998365 LHYWJGZCDYODDC-VXNVDRBHSA-N 255.245 0.500 10 10 CCCE CC1(CN)CN(S(=O)(=O)Cc2ccc(N)cc2)C1 2071737004 SIIKOSLWNGPAIR-UHFFFAOYSA-N 269.370 0.379 10 10 CCCE N[C@H]1CCSC[C@@H]1NC(=O)c1ccc(O)c(O)c1 2077595658 WDORUBHXAPWXRV-IUCAKERBSA-N 268.338 0.660 10 10 CCCE CN(C)c1ccc([C@H](CCn2cncn2)NN)cc1 2106856238 XESULWDCBMVUDQ-ZDUSSCGKSA-N 260.345 0.939 10 10 CCCE Nc1ccc(OCC(=O)N2CC([C@H](F)CO)C2)cc1 2110583470 ILCRENASXXVRAJ-GFCCVEGCSA-N 268.288 0.436 10 10 CCCE COCCNCc1ccc(N2C[C@@H](O)[C@H](F)C2)cc1 2092827347 UYCGDALBGRAODZ-ZIAGYGMSSA-N 268.332 0.942 10 10 CCCE CCNCc1ccc(N2C[C@@H](O)C[C@@H]2CO)cc1OC 2204554209 LMNHIAVGQDMOAD-KGLIPLIRSA-N 280.368 0.737 10 10 CCCE Cc1cccc(CN=c2[nH]c(=N)[nH]cc2[N+](=O)[O-])c1O 2204629316 IQIOQXJEPLNVNK-UHFFFAOYSA-N 275.268 0.845 10 10 CCCE O=C(NC1CCCNCCC1)c1cc(O)nc(O)c1 2269154053 QGCLQFVQRWYMFG-UHFFFAOYSA-N 265.313 0.755 10 10 CCCE CN(Cc1ccccc1O)[C@@H]1CC(CO)(CO)C[C@H]1O 2206363590 YSKQUIOFAOJZOW-TZMCWYRMSA-N 281.352 0.318 10 10 CCCE O=C(c1cccc(O)c1O)N1C[C@H]2COC[C@]2(CO)C1 2234583254 JHZAGSYMDYLNSU-LKFCYVNXSA-N 279.292 0.179 10 10 CCCE C[C@H](N)c1ccc(N2C[C@@H]3COC[C@@]3(CO)C2)cc1O 2234547314 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CN(CCOCCN)C(=O)c1ccc(O)c(O)c1 306000576 KVJDRKNSUYIGRP-UHFFFAOYSA-N 254.286 0.145 10 10 CCCE CC(C)(CO)NS(=O)(=O)Cc1ccc(N)cc1 35599434 IPGBVOKETPPKII-UHFFFAOYSA-N 258.343 0.459 10 10 CCCE O=C(NCCCCN1CCOCC1)c1cccc(O)c1O 186948838 SXVDCBHQHVLQLD-UHFFFAOYSA-N 294.351 0.940 10 10 CCCE Nc1ccc(OCCNS(=O)(=O)C2CC2)cc1 80935423 JKNBVVBVQXNKLM-UHFFFAOYSA-N 256.327 0.729 10 10 CCCE Nc1ccc(OC[C@@H](O)CN2CCC[C@@H]2CO)cc1 48859928 KGAYEHHZVVGPFM-OLZOCXBDSA-N 266.341 0.465 10 10 CCCE NC[C@@H](N)c1cc(Br)cc(C(=O)O)c1O 95717921 UGKGIMMMDQFFFF-SSDOTTSWSA-N 275.102 0.811 10 10 CCCE CC(C)N1CCC(NCCN=[N+]=[N-])(C(N)=O)CC1 90257837 LAQRIQPEDBUOQM-UHFFFAOYSA-N 254.338 0.615 10 10 CCCE O=C(O)[C@@H]1CCCN1C[C@H]1SC(=S)NC1=O 247382225 JLPYSTMUCUWAME-NTSWFWBYSA-N 260.340 0.052 10 10 CCCE CN1CC[C@@H](N(C)CC(=O)Nc2ccc(N)cc2)C1 389018666 YMONSHACMJKUJI-CYBMUJFWSA-N 262.357 0.843 10 10 CCCE Nc1ccc(CCCS(=O)(=O)CC(=O)NC2CC2)cc1 380394887 BNDSSVWKKDLDLB-UHFFFAOYSA-N 296.392 0.895 10 10 CCCE CN(C(=O)COc1ccc(N)cc1)[C@H]1C[C@@H](C(N)=O)C1 703519561 LFKXMMYUWSWZPA-JGZJWPJOSA-N 277.324 0.370 10 10 CCCE C[C@H]1CN(C(=O)c2cccc(O)c2O)[C@H](C(=O)O)CO1 2165801776 GMMIAKUHLPYRRV-CBAPKCEASA-N 281.264 0.412 10 10 CCCE C[C@@H](N)c1ccc(N2CCN(CC(N)=O)CC2)cc1Cl 723181223 DTXARBLLMCADOM-SNVBAGLBSA-N 296.802 0.967 10 10 CCCE C[C@H]1CN(C(=O)c2cc(O)nc(O)c2)C[C@@H]1CC(=O)O 722448515 FIUFVFMWDIRROV-CBAPKCEASA-N 280.280 0.676 10 10 CCCE C[C@H]1CN(CCO)CCN1C(=O)c1cccc(O)c1O 837192045 QTCCSAFOPNAEAO-JTQLQIEISA-N 280.324 0.236 10 10 CCCE Cc1ccc(C(=O)NC2(C(=O)N(C)C)CC2)c(O)c1O 840501133 QOUFIUIPGIKPJJ-UHFFFAOYSA-N 278.308 0.757 10 10 CCCE CN1C(=O)C(=Cc2cc3n(n2)CCCC3)C(=O)N(C)C1=O 848638931 NDMCEULMROUKOA-UHFFFAOYSA-N 288.307 0.653 10 10 CCCE C[C@@]1(CO)CCN1C(=O)Cc1ccc(O)c(O)c1 1953083418 TWSNOSDGMKQBIP-ZDUSSCGKSA-N 251.282 0.624 10 10 CCCE COc1ccc(O)c([C@H](C)NC(=O)C2=NO[C@@H](CN)C2)c1 852886251 ZNGUAOMMDKDWFS-WCBMZHEXSA-N 293.323 0.682 10 10 CCCE Cn1cc(C(N)=O)cc1C(=O)NCc1ccc(O)c(O)c1 778919699 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CCCE Nc1ccc(CCC(=O)N[C@H]2CCCNC2=O)cc1 50392690 HVIBUYJXIMHYKB-LBPRGKRZSA-N 261.325 0.596 10 10 CCCE CCc1cccc(CN[C@@H](COC)C(N)=O)c1O 2034942033 VYVMXWFIGSAWBB-NSHDSACASA-N 252.314 0.545 10 10 CCCE CN(C)[C@H]1CCN(C(=O)COc2ccc(N)cc2)C1 62964330 FDSWHKBBAPVIJB-LBPRGKRZSA-N 263.341 0.810 10 10 CCCE NCc1cc(C(=O)Nc2ccc(O)cc2C(=O)O)n[nH]1 2158215352 NQZDAUQYFIAAJL-UHFFFAOYSA-N 276.252 0.525 10 10 CCCE [N-]=[N+]=N[C@@H]1CCCN([C@@H]2CN(C3CC3)C[C@@H]2O)C1 2039190738 ATFSBKVNIDVUQL-JLLWLGSASA-N 251.334 0.969 10 10 CCCE NS(=O)(=O)NCCCNCc1ccc(Cl)cc1O 2039805908 IIBIYZPIXJOHCF-UHFFFAOYSA-N 293.776 0.318 10 10 CCCE NCc1ccc(N2CC[C@H]3C(=O)NC(=O)[C@H]3C2)cc1Cl 2158786716 XPBLFVPWUBZDHA-MNOVXSKESA-N 293.754 0.898 10 10 CCCE CNCc1ccc(N2CCC(O)(C(N)=O)CC2)cc1 312012044 UJZKODKCOYVFRV-UHFFFAOYSA-N 263.341 0.223 10 10 CCCE C[C@@H](N)c1ccc(N2CC[C@@](O)(CO)C2)cc1O 313884798 PHQSFUIWVIOKBG-RNCFNFMXSA-N 252.314 0.345 10 10 CCCE N[C@@H]1CCN(c2nc(C3=S=Nc4ccccc43)n[nH]2)C1 2159958889 QKSUADKDXNACIV-MRVPVSSYSA-N 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CN(CC1CC(O)C1)c1ccc2c(c1)N(C)C(=O)[C@@H]2N 131405360 SYDLICDPMYMMIW-PFMWSLTASA-N 275.352 0.870 10 10 CCCE COC(=O)[C@@H]1CCCC[C@@H]1C(=O)OCC(=O)C(C)=O 923514413 OGQJWPBLDOGLLL-ZJUUUORDSA-N 270.281 0.667 10 10 CCCE CN(C)c1ccc(CN2C[C@H](O)C[C@H]2C(N)=O)cc1 854115717 YWYMXZTWMSZEIE-OLZOCXBDSA-N 263.341 0.173 10 10 CCCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCC(=O)O1 867302289 NEFKNCCZZZJCTL-QPUJVOFHSA-N 279.292 0.851 10 10 CCCE O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H](O)[C@H]1CCCO1 862657543 JTWWHIBOUSDFHC-CNPQOGTOSA-N 293.319 0.767 10 10 CCCE CCO[C@H]1COCC[C@H]1CC(=O)OCC(=O)C(C)=O 869955620 DCKASTAGRWKRAD-JQWIXIFHSA-N 272.297 0.519 10 10 CCCE CN(C(=O)OC(C)(C)C)C1(C(N)=O)CN(CCN=[N+]=[N-])C1 1957244214 NVICNWCJNPACLW-UHFFFAOYSA-N 298.347 0.703 10 10 CCCE COc1ccc(N2CC(=O)N(CC(N)=S)C(=O)C2)cc1 74415997 OHXVCJXWPJATKK-UHFFFAOYSA-N 293.348 0.157 10 10 CCCE COC[C@H](N)C(=O)NCc1cc(Cl)ccc1O 83430973 HJEGYDFDFDRAHB-VIFPVBQESA-N 258.705 0.636 10 10 CCCE C[C@H](C(=O)O)c1nnc([C@@H](N)c2cccc(O)c2O)o1 83588055 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10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CC(C2CNC2)C1 1886867425 LJQQNFOOZRJHJS-UHFFFAOYSA-N 264.281 0.095 10 10 CCCE Cn1ncc(S(=O)(=O)Nc2ccc(O)cc2C(=O)O)n1 2144432413 LDFCPXYIKGILOH-UHFFFAOYSA-N 298.280 0.020 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NC[C@H]1C[C@H](CO)CO1 1965521623 LNCPNJDWVTWPLL-GHMZBOCLSA-N 281.308 0.154 10 10 CCCE C[C@H](c1cc(F)ccc1O)N1C[C@H](N)C[C@@H](C(N)=O)C1 2151021103 IATFEZHAOQORTJ-FXPVBKGRSA-N 281.331 0.727 10 10 CCCE O=S1(=O)CC[C@@H]1CNCc1ccc(F)cc1O 1972340793 ZLMXNJXDNSMONK-SNVBAGLBSA-N 259.302 0.808 10 10 CCCE O=C(NC[C@]12CC[C@H]1CCCN2)c1cc(O)nc(O)c1 2145606750 WKZNSIDPNIHGON-QMTHXVAHSA-N 277.324 0.755 10 10 CCCE CN(C)[C@@H]1CN(c2cc3c(cc2N)OCCO3)C[C@@H]1O 2146153712 IOBUWOKVAKHCGI-NEPJUHHUSA-N 279.340 0.151 10 10 CCCE OC[C@@H](O)CCNCc1cccc(Br)c1O 1985597146 DUHIUFDHJMUDHX-VIFPVBQESA-N 290.157 0.988 10 10 CCCE C[C@@H](C(=O)N(C)C)N(CC(N)=O)Cc1ccc(N)cc1 35366667 WXUGCIUBZJVICA-JTQLQIEISA-N 278.356 0.033 10 10 CCCE C[C@H]1CCN(C(=O)[C@@H](N)Cc2ccc(O)c(O)c2)C1 40724660 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10 10 CCCE CO[C@@H](CN)CC(=O)NCCc1ccc(O)c(O)c1 2091757028 WIBMRLQDUGDUGU-SNVBAGLBSA-N 268.313 0.120 10 10 CCCE NCc1cc(F)c(N2CC(=O)N[C@@H]3CC[C@@H]32)c(F)c1 2112065140 HTFFFSCJUFZFHS-MNOVXSKESA-N 267.279 0.891 10 10 CCCE CCN[C@@H]1C(=O)Nc2cc(N3CC[C@@H]3CO)ccc21 2092556139 TXXDMOGLTLXERY-MFKMUULPSA-N 261.325 0.860 10 10 CCCE CN1CCCc2cc([C@@H](O)CN3CC(N)C3)ccc21 2112981620 UELIKMMJLMCGPI-HNNXBMFYSA-N 261.369 0.745 10 10 CCCE CNCc1ccc(N2CCOC[C@@H](CO)C2)cc1OC 2204546056 XGMHAMFQYJDKAS-GFCCVEGCSA-N 280.368 0.860 10 10 CCCE COc1cc(N2CC[C@@]3(CNC(=O)N3)C2)ccc1CO 2204553927 NONIKFXXXUJDEM-CQSZACIVSA-N 277.324 0.449 10 10 CCCE Nc1ccc(CC(=O)N[C@@H]2COC3(COC3)C2)cc1 2270774389 MCCCMNCKXQIBLK-LBPRGKRZSA-N 262.309 0.485 10 10 CCCE CC(C)(C)OC(=O)NCC1(COc2nnc(=N)[nH]n2)CC1 2209559256 DFIRVOFNTRBGLY-UHFFFAOYSA-N 296.331 0.363 10 10 CCCE O=C(NC12COCC(C1)C2)c1cc(O)c(O)c(O)c1 2273161605 CDMWQDHRHFTEHG-UHFFFAOYSA-N 265.265 0.712 10 10 CCCE C[C@]1(O)C[C@@H]2[C@H]1CCN2c1ccc2c(c1)NC(=O)[C@H]2N 2233784664 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CCCE Nc1ccc(CS(=O)(=O)N[C@@H]2[C@H]3CN[C@@H]2C3)cc1 2311829135 RYYLCEBMZLLSHC-YUSALJHKSA-N 267.354 0.049 10 10 CCCE C[C@H](NS(=O)(=O)[C@@H]1CC[C@H]1N)c1ccccc1O 2316344758 FDZXXIPPFRBTNC-MKPLZMMCSA-N 270.354 0.862 10 10 CCCE CN(Cc1ccccc1O)[C@]1(C(=O)O)CCNC1 2321798390 SITYJVFXNVGJNX-CYBMUJFWSA-N 250.298 0.641 10 10 CCCE CN(C[C@@H](O)COc1ccc(N)cc1)CC1(O)CC1 2340180108 LHZGJEZPIFDBIE-GFCCVEGCSA-N 266.341 0.465 10 10 CCCE CC[C@H](NC)C(=O)N1CCc2cc(O)c(O)cc2C1 2341147486 JDMYSRORBDCGCK-NSHDSACASA-N 264.325 0.981 10 10 CCCE CN[C@H](CN1CCN(c2ccc(OC)cc2)CC1)C(=O)O 59531331 RTIXOQKGIABRMR-CQSZACIVSA-N 293.367 0.490 10 10 CCCE COCCNCc1ccc(N(C)CC(N)=O)cc1 62735629 VRRXVFWJALLXGY-UHFFFAOYSA-N 251.330 0.344 10 10 CCCE CC(=O)N1CCN(c2ccc(CN)c(F)c2)CC1 135220120 DPWARFNZMRQZAD-UHFFFAOYSA-N 251.305 0.953 10 10 CCCE CN1C[C@H](c2cccc([N+](=O)[O-])c2O)NCC1=O 1951863698 RJWNXCXTTZFQNN-MRVPVSSYSA-N 251.242 0.403 10 10 CCCE COc1ccc(CN2C[C@@H](O)C[C@H]2CO)c(O)c1 187664070 OHJJLIQDCUUEDC-QWRGUYRKSA-N 253.298 0.328 10 10 CCCE COC(=O)[C@H]1CNC[C@@H]1c1cc(O)c(O)c(OC)c1 1951859426 ZRPNFEDHWYRXFS-BDAKNGLRSA-N 267.281 0.582 10 10 CCCE COc1ccc(N2C[C@H](C)NC[C@@H](O)C2)c(OC)c1 217180318 KCINSZNGSJSENJ-WDEREUQCSA-N 266.341 0.863 10 10 CCCE O=C(O)[C@H](Cc1ccc(O)c(O)c1)N1CCNC1=O 40225862 HIAIZWYEXNADIZ-QMMMGPOBSA-N 266.253 0.119 10 10 CCCE O=C1CNC[C@H](c2c(O)cccc2Br)N1 1952207829 WGCZKFCLFNLNOF-SSDOTTSWSA-N 271.114 0.915 10 10 CCCE CCNCc1cc(F)c(N2CC(=O)NC(=O)[C@H]2C)c(F)c1 97295599 PMKVDSYDSLKKLC-MRVPVSSYSA-N 297.305 0.926 10 10 CCCE COC[C@@](C)(CCO)NC(=O)c1ccc(C)c(O)c1O 273068593 ZOYXUMRKXYCPEH-CQSZACIVSA-N 283.324 0.924 10 10 CCCE COC(=O)[C@@H](N)[C@@H](OC)c1cc(O)c(O)c(OC)c1 1952536763 VFBMKKIZSBXRAJ-ONGXEEELSA-N 271.269 0.294 10 10 CCCE CN1CCCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1=O 588560175 HFOLYVAQAGIIND-XQRVVYSFSA-N 290.319 0.802 10 10 CCCE COc1ccc(N2CCC(NC(=O)CC(N)=O)CC2)cc1 740743574 ULCCDUBSLIWDPM-UHFFFAOYSA-N 291.351 0.656 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CC2CC1(CO)C2 1953092937 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1912155015 OKVUBQPVTXAQQN-ZETCQYMHSA-N 260.319 0.721 10 10 CCCE [N-]=[N+]=NCCCN[C@]1(C(N)=O)C[C@H]2OCCC[C@H]21 1912204297 ABLWIQKIJCGAFM-FXPVBKGRSA-N 253.306 0.699 10 10 CCCE C[C@H](C(=O)Nc1ccc(N)cc1)N(C)[C@@H]1CCNC1=O 1916853893 NVIMAALUGFUQQG-BXKDBHETSA-N 276.340 0.416 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)C1(CO)CCOCC1 1294909718 XLQVSMXIASUWSG-UHFFFAOYSA-N 295.335 0.546 10 10 CCCE C[C@H]1CN[C@@H](CO)CN1c1ccc2c(c1)OCO2 214564359 KYSCZFZIUFOECD-VHSXEESVSA-N 250.298 0.574 10 10 CCCE COC(=O)C1(NC(=O)Cc2ccc(O)c(O)c2)CCC1 1545905020 NAMVLMGJUBFOMT-UHFFFAOYSA-N 279.292 0.852 10 10 CCCE C[C@@H](NC(=O)C1(NC(N)=O)CC1)c1ccccc1O 1635793739 GGJCMYVJCGOMRW-MRVPVSSYSA-N 263.297 0.770 10 10 CCCE COc1ccc(N2CC[C@@H](NCCO)C2)cc1OC 259348459 OJUAKTBFIJEPJY-LLVKDONJSA-N 266.341 0.864 10 10 CCCE O=S1(=O)CCN(c2ccc3c(c2)CNC3)CC1 145583508 AZYMVUYPLPOGTD-UHFFFAOYSA-N 252.339 0.525 10 10 CCCE Nc1ccc(O)c(CN2CCC3(CC2)CC(=O)N3)c1 2142853284 CEHUBJWWOMOPAO-UHFFFAOYSA-N 261.325 0.829 10 10 CCCE 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1877554090 JZPMVLMLCMZHCN-VIFPVBQESA-N 287.337 0.542 10 10 CCCE Nc1ccc(N2CCNC(=O)[C@]23CCCNC3)cc1 1879821251 KNRQBVMBCBOAFF-CQSZACIVSA-N 260.341 0.327 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CCO[C@@H](CCO)C1 1963565630 LPTYROPMVRLUJH-NSHDSACASA-N 281.308 0.250 10 10 CCCE CN1[C@@H](CNCc2cccc(F)c2O)CCS1(=O)=O 1967749917 YVHVAMIDOPIHFH-SNVBAGLBSA-N 288.344 0.655 10 10 CCCE NCC[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C(F)F 1972647986 CINXZMSOXSWTIL-MRVPVSSYSA-N 274.267 0.739 10 10 CCCE Nc1ccc(NC(=O)CN2C(=O)CCCS2(=O)=O)cc1 2145913547 ZUFWUZQVCJGYBO-UHFFFAOYSA-N 297.336 0.160 10 10 CCCE COc1ccc(CN2C[C@@H](N)C[C@H](C(N)=O)C2)c(O)c1 2151022590 RPVPPBBDFFBQNJ-QWRGUYRKSA-N 279.340 0.035 10 10 CCCE C[S@@](=O)CCNC(=O)c1ccn(-c2ccc(N)cc2)n1 157737892 UVKGFVGYBDIESC-FQEVSTJZSA-N 292.364 0.563 10 10 CCCE O=S(=O)(NCc1ccccc1O)C1CC(O)C1 2005410450 FXDMLMOGKWXEKL-UHFFFAOYSA-N 257.311 0.335 10 10 CCCE Nc1ccc(OCCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 40296037 WFFXLKXHTBVKRN-NSHDSACASA-N 298.364 0.341 10 10 CCCE CS(=O)(=O)CCN1CCc2cc(CN)ccc21 2015769512 JMGPCMGZRDTSGS-UHFFFAOYSA-N 254.355 0.552 10 10 CCCE NCC12CC(CNC(=O)c3cccc(O)c3O)(CO1)C2 2159555946 DZXAFFAUVCPNKS-UHFFFAOYSA-N 278.308 0.336 10 10 CCCE Oc1ccc(CN[C@@H]2CO[C@H]3COC[C@@H]23)c(O)c1 2040340720 GDYGPOSXSLOTMW-LOWVWBTDSA-N 251.282 0.601 10 10 CCCE CN(C(=O)c1cc(O)nc(O)c1)C1(C(=O)O)CCCC1 312422580 RLOFWTCUOIUKAB-UHFFFAOYSA-N 280.280 0.962 10 10 CCCE CN1CC[C@@H](N(C)c2cc3c(cc2N)OCC(=O)N3)C1 312823195 NAYMGXNYEAPHRR-SECBINFHSA-N 276.340 0.740 10 10 CCCE CC(=O)c1ccc(O)c(CN2CC[C@](O)(CO)C2)c1 313688713 AGPTYYGUFDPHPI-CQSZACIVSA-N 265.309 0.524 10 10 CCCE CC1(C)[C@@H](O)CCN1C[C@@H](O)COc1ccc(N)cc1 313627900 YZQJSIAELCCZRB-OCCSQVGLSA-N 280.368 0.854 10 10 CCCE CNCc1ccc(N2CCC[C@@](O)(CO)C2)cc1 313915136 USLPKLBOKPFNOC-AWEZNQCLSA-N 250.342 0.730 10 10 CCCE Nc1cc2c(cc1N1CCC[S@](=O)CC1)NC(=O)CO2 322212548 WCUAHTWEXSZVSA-FQEVSTJZSA-N 295.364 0.559 10 10 CCCE COc1cccc(O)c1CNC[C@H]1C[C@@H](C(=O)O)CO1 2160712390 HZDXEWJNICOWFZ-NXEZZACHSA-N 281.308 0.980 10 10 CCCE CCN(Cc1ccc(N)cc1)S(=O)(=O)N1CC(OC)C1 2161938487 MJTNNEUYEZVPNM-UHFFFAOYSA-N 299.396 0.666 10 10 CCCE Nc1ccc(OCCS(=O)(=O)N2CC3(CCO3)C2)cc1 2171908520 GKFUMFOIIZDZKR-UHFFFAOYSA-N 298.364 0.452 10 10 CCCE C[C@H]1C[C@H](OC(=O)[C@@H](N)Cc2ccc(O)c(O)c2)CO1 2172343201 HPZZLIUWLZGDSX-LSJOCFKGSA-N 281.308 0.688 10 10 CCCE CN(CC(=O)c1ccc(O)c(O)c1)Cc1cn(C)nn1 690534410 UWZKZZPMEGAXDF-UHFFFAOYSA-N 276.296 0.541 10 10 CCCE Cc1cc(N(C)[C@H]2CCN(S(C)(=O)=O)C2)ccc1CN 380497087 XEXGKGFVSYKLTB-AWEZNQCLSA-N 297.424 0.924 10 10 CCCE O=C(N[C@H]1CCCCC1=O)c1cc(O)nc(O)c1 715919964 WCOVSMDKAYUKJI-QMMMGPOBSA-N 250.254 0.734 10 10 CCCE CO[C@H]1CCOC[C@H]1NCc1ccc(O)cc1O 724906842 UJUPQSKHVSSPJC-YPMHNXCESA-N 253.298 0.991 10 10 CCCE C[C@]12CN(C(=O)c3cc(O)nc(O)c3)C[C@@]1(C(=O)O)C2 2165456646 NYVNZHQYSWKLQX-QWHCGFSZSA-N 278.264 0.430 10 10 CCCE Cc1nnc(O)n(CCCOc2ccc(N)cc2)c1=O 2175194355 YDEJLIBBSWLRPQ-UHFFFAOYSA-N 276.296 0.704 10 10 CCCE O=C(N[C@@H]1[C@@H]2C[C@@H]3[C@@H]1NC[C@@H]3C2)c1ccc(O)c(O)c1 2169561694 KKAUVWIQHKHLAZ-YHMRHEDISA-N 274.320 0.824 10 10 CCCE Nc1ccc(OCCCN2CC3(CNC(=O)C3)C2)cc1 2176159174 BZQGILZSWJWMKE-UHFFFAOYSA-N 275.352 0.860 10 10 CCCE Nc1ccc(OCC(=O)N2CCO[C@H]3COC[C@@H]32)cc1 2192664659 PFPPCCNPOMMCJO-STQMWFEESA-N 278.308 0.274 10 10 CCCE COC[C@@H](CC(=O)O)NC(=O)c1cc(O)c(O)c(O)c1 2188874640 JHMZTWOSAIRADP-SSDOTTSWSA-N 285.252 0.023 10 10 CCCE C[C@@H](C(=O)NCc1c(O)cccc1O)N1CCN(C)CC1 1456234029 HIHBEMZUYUPSNN-NSHDSACASA-N 293.367 0.350 10 10 CCCE O=C(N[C@@]12CCC[C@@]1(F)CNC2)c1cc(O)nc(O)c1 2182436496 JIXAERUXWOZKBQ-CHWSQXEVSA-N 281.287 0.457 10 10 CCCE O=C1C[C@@H](CNCc2ccc(O)cc2O)CCN1 2043331994 NDEUINZWYXSJOA-VIFPVBQESA-N 250.298 0.714 10 10 CCCE C[C@H]1C[C@@H]1N(CCO)C(=O)c1cc(O)nc(O)c1 2048247006 CLVJLNIKBARIRH-CBAPKCEASA-N 252.270 0.336 10 10 CCCE C[C@@H](N)[C@H]1CN(C(=O)CCc2ccc(N)cc2)CCO1 2191719370 GEBCDTKRCNEBRK-BXUZGUMPSA-N 277.368 0.776 10 10 CCCE Nc1ccc(OCC(=O)N[C@@H]2C[C@H]3C[C@H]2C[C@H]3N)cc1 2191722153 TYQURDGHYOTNPI-RDBQEKCUSA-N 275.352 0.890 10 10 CCCE CC1(C)[C@@H](C(=O)O)C[C@H]1NC(=O)c1cc(O)nc(O)c1 2191915306 PFLSBJNOODEMPC-HTQZYQBOSA-N 280.280 0.722 10 10 CCCE CO[C@@H]1CNC[C@@H]1NC(=O)Nc1ccc(N)cc1 2071565926 VIQWTRCVQLJPNZ-WDEREUQCSA-N 250.302 0.377 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@H]2CCCNC2)cc1 2071662248 ORLBCDJUXDOSAB-LBPRGKRZSA-N 269.370 0.440 10 10 CCCE COC[C@@](C)(N)C(=O)N[C@@H](C)c1ccccc1O 2072489897 JMCCDFNIPAHLJL-TVQRCGJNSA-N 252.314 0.933 10 10 CCCE Nc1ccc(CS(=O)(=O)N2[C@H]3COC[C@H]2C3)cc1 2077883862 XBGMYVFFMNNKGI-VXGBXAGGSA-N 268.338 0.572 10 10 CCCE O=C(N[C@H]1C[C@@H]2CNC[C@@H]2C1)c1ccc(O)c(O)c1 2102644748 DBKFOMOSKJFUIL-URLYPYJESA-N 262.309 0.826 10 10 CCCE Nc1ccc(CC(=O)N2CC=C[C@H](C(=O)O)C2)cc1 2103545583 GXQVZJPQWRCZJC-NSHDSACASA-N 260.293 0.911 10 10 CCCE COC1(C(N)=O)CN(c2ccc([C@H](C)O)cc2F)C1 2104899042 UTKZQIQLQIBIPF-QMMMGPOBSA-N 268.288 0.570 10 10 CCCE COc1ccc(O)c(CN[C@H](C(=O)O)C2COC2)c1 2104900297 LFCYOPISPHIHCF-LBPRGKRZSA-N 267.281 0.590 10 10 CCCE CN1CCc2cc(CN[C@@H]3C[C@H](O)C[C@H]3O)ccc21 2108797909 SYFRUYPEZYXPKE-GZBFAFLISA-N 262.353 0.653 10 10 CCCE C[C@]12CN(C(=O)c3ccc(O)c(O)c3)C[C@]1(CN)C2 2109157889 NVEZSBQPMQDPNG-UONOGXRCSA-N 262.309 0.909 10 10 CCCE CCN(Cc1ccc(N)cc1)C[C@@H]1CCS(=O)(=O)N1 2089980520 USAMOJROWFUDMS-ZDUSSCGKSA-N 283.397 0.782 10 10 CCCE COc1cc(N)c(N(C)C2CS(=O)(=O)C2)cc1OC 2095900156 NCWPKHFTJAQOSG-UHFFFAOYSA-N 286.353 0.519 10 10 CCCE NCc1ccc(N2C[C@H](O)[C@@H](O)CC23CCC3)cc1 2113570415 QKJPTOQHAMWOAX-KBPBESRZSA-N 262.353 1.000 10 10 CCCE Nc1ccc(NC(=O)N2CC(n3ccnn3)C2)cc1 2113840954 FSKAELLUKZNMCA-UHFFFAOYSA-N 258.285 0.949 10 10 CCCE Cc1cccc(CNS(=O)(=O)N2CCN[C@@H](C)C2)c1O 2204621252 HDFRYOHECDYNBK-NSHDSACASA-N 299.396 0.329 10 10 CCCE CN(Cc1ccc(N)cc1)[C@@H]1CC(CO)(CO)C[C@H]1O 2206355604 AKSALLUWWWRTSM-ZIAGYGMSSA-N 280.368 0.195 10 10 CCCE CN(CC(CO)CO)c1ccc2c(c1)COCC2 2219522608 PVGHOWWSNLXMLC-UHFFFAOYSA-N 251.326 0.796 10 10 CCCE COc1ccc(N2C[C@@H](CO)[C@@H](CO)C2)c(F)c1 2219620282 AGHJZMJLRVFDOT-AOOOYVTPSA-N 255.289 0.871 10 10 CCCE COC[C@H](N)[C@H](CO)Oc1ccc(N(C)C)cc1 2221883029 LWUAPEFHHNRQNO-STQMWFEESA-N 254.330 0.466 10 10 CCCE COc1ccc(N2CCC[C@](O)(C(N)=O)C2)c(CO)c1 2235999566 KVMMDEGRGMKOQO-CQSZACIVSA-N 280.324 0.004 10 10 CCCE CN1CCc2cc([C@H](O)[C@@]3(C(=O)O)C=CCN3)ccc21 2237168455 IQJPZJLGBURUFY-DZGCQCFKSA-N 274.320 0.695 10 10 CCCE N[C@@H]1C[C@]12C[C@@H]2C(=O)NCCc1ccc(O)c(O)c1 2268140866 YWCMHTYLJZKFOI-IUPBHXKESA-N 262.309 0.494 10 10 CCCE Cc1cc(N2[C@H]3CC[C@@H]2C[C@H](O)[C@H]3O)ccc1CN 2331965271 TZDCBDXGRQXVAA-QPSCCSFWSA-N 262.353 0.917 10 10 CCCE NC(=O)CN[C@@H](c1ccccc1)c1ccc(O)c(O)c1O 22144736 MAYFDRRIBPXHED-ZDUSSCGKSA-N 288.303 0.968 10 10 CCCE CCOC(=O)[C@]1(c2cc(O)c(O)c(O)c2)CCNC1 1951730812 DMGVFFIMYQGZCG-CYBMUJFWSA-N 267.281 0.598 10 10 CCCE CO[C@@H]1CCC[C@H]1NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 50374154 HUSIQVYCBIEVAE-MISXGVKJSA-N 294.351 0.651 10 10 CCCE CC(=O)N1CCN(C[C@H](O)COc2ccc(N)cc2)CC1 36670022 TWWNLBMODZRVBP-AWEZNQCLSA-N 293.367 0.173 10 10 CCCE COC(=O)[C@@H]1CN(C(=O)CCc2ccc(N)cc2)CCO1 132870501 ZAWPENBEBGQCQK-ZDUSSCGKSA-N 292.335 0.602 10 10 CCCE NC(=O)CN(CCCn1ccnc1)Cc1ccc(N)cc1 49328422 XLXCVGSCFFPNQN-UHFFFAOYSA-N 287.367 0.843 10 10 CCCE O=C(NCc1csc(=O)[nH]1)c1ccc(O)c(O)c1 231183254 YHYZCSFDTFIZJF-UHFFFAOYSA-N 266.278 0.778 10 10 CCCE C[C@@]1(O)CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 230482872 PAUKQIBXKZYNTJ-CYBMUJFWSA-N 293.279 0.887 10 10 CCCE CC[C@@H]1C(=O)NC(=O)CN1c1ccc([C@H](C)NC)c(O)c1 251525630 GPKFLOOQJCJESG-JOYOIKCWSA-N 291.351 0.914 10 10 CCCE NC(=O)c1cccc(N)c1N[C@H]1CCn2nccc2C1 2165440366 IPIDXOBVFOIFGE-VIFPVBQESA-N 271.324 0.991 10 10 CCCE CO[C@H](C)[C@@H](CC(=O)O)NC(=O)c1cc(O)nc(O)c1 2165783985 YZSZPWVIBSSKEA-HTRCEHHLSA-N 284.268 0.101 10 10 CCCE CN1C[C@@H](C(=O)NCc2ccc(N(C)C)c(F)c2)NC1=O 824669484 MSZDYVMBJIQJEG-NSHDSACASA-N 294.330 0.532 10 10 CCCE C[C@@H](C(N)=O)N(C)c1cc2c(cc1Cl)[C@H](N)C(=O)N2 723178167 KWUUCFIHIUZROB-RRAGMBSWSA-N 282.731 0.602 10 10 CCCE O=C(OC[C@H]1COCCO1)c1cccc(O)c1O 837647358 AAUWATCIUBTIEI-MRVPVSSYSA-N 254.238 0.670 10 10 CCCE Nc1ccc(CC(=O)NC[C@H]2CN(C3CC3)C(=O)O2)cc1 848442682 LQWHLSXUTVYENX-ZDUSSCGKSA-N 289.335 0.911 10 10 CCCE Nc1ccc(OCC(=O)N[C@@H]2C[C@@]23CCOC3)cc1 1896464804 WXRVGVAQSAQFHH-TZMCWYRMSA-N 262.309 0.943 10 10 CCCE CN1CCN(C2CN(c3ccc(CO)cc3)C2)CC1 697965186 GLCPAEJNILMKAA-UHFFFAOYSA-N 261.369 0.615 10 10 CCCE O=C(COC(=O)c1ccnnc1)c1ccc(O)c(O)c1 784363067 KINYLCHVEIKYJZ-UHFFFAOYSA-N 274.232 0.928 10 10 CCCE Nc1ccc(OC[C@H](O)CN2CCC3(C2)OCCO3)cc1 396556265 YPXCRVRVCLSUDM-CYBMUJFWSA-N 294.351 0.457 10 10 CCCE C[C@@H]1CC[C@H](NC(=O)c2cc(O)nc(O)c2)CN1 690843866 RZHGNKOGHYOROO-APPZFPTMSA-N 251.286 0.363 10 10 CCCE CC(=O)c1ccc(O)c(CN(C)[C@H]2COC[C@@H]2O)c1 708140599 XTERKMIWPKJEQS-JSGCOSHPSA-N 265.309 0.786 10 10 CCCE C[C@H](CO)CNS(=O)(=O)CCOc1ccc(N)cc1 86626232 IFNWQLSDMNPEQU-JTQLQIEISA-N 288.369 0.195 10 10 CCCE CSc1ncc(CNC(=O)[C@H](O)[C@H](C)N)s1 2243799032 JCNVHUFXXMDSRJ-CAHLUQPWSA-N 261.372 0.189 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3CCO[C@@H]4C[C@@H]43)cc21 2115155843 LYTQYGYMRSEKMD-YNEHKIRRSA-N 259.309 0.640 10 10 CCCE CN(c1cc(Cl)c(CN)cc1F)[C@H]1CC(=O)NC1=O 2120881481 MDZUAZIVOMIAAF-JTQLQIEISA-N 285.706 0.789 10 10 CCCE NC(=O)CN(Cc1ccc(N)cc1)C[C@H](O)C(F)F 2121044094 NMWFEGKXNPZKQB-JTQLQIEISA-N 273.283 0.182 10 10 CCCE COCCN(C)C[C@H](O)CN1CCC[C@H]1CN=[N+]=[N-] 2123020740 WRCLPEAWNJXPBS-RYUDHWBXSA-N 271.365 0.700 10 10 CCCE Nc1ccc(OCCC(=O)N2C[C@H]3COC[C@@H]32)cc1 2129808337 JLKICFSTJUPFMH-GWCFXTLKSA-N 262.309 0.895 10 10 CCCE CC(C)CN(CCN)C(=O)c1cc(O)c(O)c(O)c1 2132411677 XGBDHMVMOPGNGE-UHFFFAOYSA-N 268.313 0.860 10 10 CCCE C[C@@H](NC(=O)C=Cc1ccc(N(C)C)cc1)[C@@H](O)CO 1911970693 BXOJQUNHHMZYFP-RISCZKNCSA-N 278.352 0.624 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N3CC(C)(C(N)=O)C3)ccc21 1914215180 FYVWCBJXVRBQNB-LLVKDONJSA-N 274.324 0.211 10 10 CCCE C[C@H](N)c1ccc(N2CC(O)(C(N)=O)C2)c(Cl)c1 1915248571 IXFXTLNKVHSHSS-ZETCQYMHSA-N 269.732 0.396 10 10 CCCE C[C@@H]1CCN(c2ccc3c(c2)OCO3)[C@H](CO)CN1 217098519 XRQHUKPQLQYLQL-PWSUYJOCSA-N 264.325 0.964 10 10 CCCE C[C@@H](N[C@@H]1CC(=O)N(C)C1=O)c1ccc(F)cc1O 115261384 QQBSGVXQTVTVQI-GMSGAONNSA-N 266.272 0.939 10 10 CCCE CN1C(=O)CS/C1=C\C(=O)NCc1cccc(O)c1O 1558161133 GZDTTXLGZOPHHH-XGICHPGQSA-N 294.332 0.761 10 10 CCCE O=C(NCc1ccc(O)cc1O)c1cccc[n+]1[O-] 1626838333 XAZAEOKWZUVWRF-UHFFFAOYSA-N 260.249 0.661 10 10 CCCE C[C@@H]1CN(c2ccc(CO)cc2F)CC(=O)N1C 1926013958 DEXYGIVOASCXBX-SECBINFHSA-N 252.289 0.985 10 10 CCCE NC(=O)NC1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1566095095 UOYUDEVNFILSEI-UHFFFAOYSA-N 293.323 0.300 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3C[C@H]4C[C@H]3[C@@H]4CO)ccc21 2138374854 YDSCYJIIWFJSBE-PDTKXNIZSA-N 259.309 0.456 10 10 CCCE NC(=O)CN(Cc1ccc(N)cc1)C[C@H]1C[C@@H](O)C1 2140477070 KSMYVQCJIUBUSO-BJHJDKERSA-N 263.341 0.327 10 10 CCCE CC1(C)CC[C@H](CO)N1C(=O)c1cc(O)nc(O)c1 2140855680 DMXKHDFNTNLCOC-SECBINFHSA-N 266.297 0.868 10 10 CCCE CNC(=O)[C@@H]1COCCN1c1cc(OC)c(OC)cc1N 159250167 UFUSQRKRZVWEEH-NSHDSACASA-N 295.339 0.237 10 10 CCCE [N-]=[N+]=N[C@H]1C[C@H](n2cnc3c(=O)[nH]cnc32)O[C@@H]1CO 5893437 SEUFIMAGNSSKRT-RRKCRQDMSA-N 277.244 0.078 10 10 CCCE O=C(O)c1ccc(=Nc2ccc([N+](=O)[O-])cc2O)[nH]n1 1859858047 XKUXVGRLFGOADO-UHFFFAOYSA-N 276.208 0.954 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N3C[C@H](O)[C@H](O)C3)c(Cl)cc21 234504759 JRUMPORUHFZWAN-GRYCIOLGSA-N 297.742 0.094 10 10 CCCE Nc1ccc(OCCC(=O)N2CC3(CCN3)C2)cc1 1876438716 AAUJCOITDULQRC-UHFFFAOYSA-N 261.325 0.612 10 10 CCCE Nc1ccc(OCC(=O)NCCCC2CNC2)cc1 1876420475 FGUNDHRWKQGZOC-UHFFFAOYSA-N 263.341 0.763 10 10 CCCE CCO[C@@H]1C[C@H](N)[C@H]1Nc1c(N)cccc1C(N)=O 1876458836 HYEWTYVJTXGFNX-HOSYDEDBSA-N 264.329 0.284 10 10 CCCE C[C@H](NC(=O)[C@H](N)C1(O)CCC1)c1ccccc1O 1877589401 LVAJIUOGUAARGL-CABZTGNLSA-N 264.325 0.812 10 10 CCCE C[C@@H]1COC[C@@H](C(=O)N[C@H](C)c2ccccc2O)N1 1877585367 KOHMNPQMLNWFDE-FOGDFJRCSA-N 264.325 0.946 10 10 CCCE CN(CCOc1ccc(N)cc1)[C@H]1CCS(=O)(=O)C1 19731854 ZNJGUWMWTVHHKP-LBPRGKRZSA-N 284.381 0.767 10 10 CCCE Cc1nnc2n1C[C@@H](C(=O)Nc1ccc(N)cc1)C2 1966817570 VLVHHEXFXGXORG-VIFPVBQESA-N 257.297 0.980 10 10 CCCE 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N[C@@H]1C[C@@H]2C[C@@H](NC(=O)Cc3ccc(O)c(O)c3)C[C@@H]12 2202033721 VCLAVZBEAMEZFQ-IRCOFANPSA-N 276.336 0.882 10 10 CCCE CN1[C@@H](C(=O)O)CC[C@@H]1C(=O)NCCCN=[N+]=[N-] 2218739394 UPTULAMFUSNPMM-HTQZYQBOSA-N 255.278 0.350 10 10 CCCE CC(C)(CNC(=O)OC(C)(C)C)COc1nnc(=N)[nH]n1 2209559432 FFUNZHZWYSVKEE-UHFFFAOYSA-N 298.347 0.609 10 10 CCCE Cc1cc([C@@H](C)O)ccc1N1C[C@H]2C[C@H]1[C@@H](O)[C@@H]2O 2232100380 LKGFCMLGXQHUAV-XMHIBHPVSA-N 263.337 0.979 10 10 CCCE COC(=O)C1(O)CN(c2ccc([C@@H](C)O)cc2C)C1 2232102577 NECPYZACIBFFPX-SNVBAGLBSA-N 265.309 0.772 10 10 CCCE NCc1ccc(N2CC[C@@H](O)[C@H](O)CC2)cc1F 2256989521 VPDIZJCTBDDYNN-CHWSQXEVSA-N 254.305 0.606 10 10 CCCE COc1ccc(N2CC[C@H]2[C@H](O)CO)c(C=O)c1 2258326908 UCRAFGGBLWCDRX-QWHCGFSZSA-N 251.282 0.440 10 10 CCCE C[C@H]1O[C@]2(C(=O)NCc3ccccc3O)C[C@@]1(N)C2 2266037479 KUVZBKFOUXTSEH-OWYVNGRQSA-N 262.309 0.657 10 10 CCCE COc1cc(OC)c(N(C)[C@@H]2COC[C@H]2O)c(OC)c1 2287068809 NSHDAKHKZQPDAD-GHMZBOCLSA-N 283.324 0.908 10 10 CCCE CC[C@@H](C(N)=O)N1CCc2cc(O)c(O)cc2C1 2318673158 KLYZSLGIRBUEQD-JTQLQIEISA-N 250.298 0.720 10 10 CCCE CS(=O)(=O)[C@@H]1CC[C@](NCCCN=[N+]=[N-])(C(=O)O)C1 2336506181 MQCMUSLUMXSEBQ-PSASIEDQSA-N 290.345 0.697 10 10 CCCE COc1cccc(O)c1CN1C[C@H]2CS(=O)(=O)[C@@H]2C1 2336554491 TYUAHZIGLPJHNM-TVQRCGJNSA-N 283.349 0.630 10 10 CCCE COC1CN(CCNCc2ccc(O)c(O)c2O)C1 2339983083 PKXKDVONWSCWBP-UHFFFAOYSA-N 268.313 0.224 10 10 CCCE CN1CC[C@H](NS(=O)(=O)CCOc2ccc(N)cc2)C1 70490766 JLBNNDIUZQSOQD-LBPRGKRZSA-N 299.396 0.271 10 10 CCCE CC[C@H]1SC(=S)N([C@H](CCC(=O)O)C(=O)O)C1=O 72412555 TWTVQFRGCXSHKJ-PHDIDXHHSA-N 291.350 0.943 10 10 CCCE CC(=O)N[C@H](C)CN[C@@H](C(=O)O)c1ccc(N(C)C)cc1 211922775 FHSLNVBDSRMIBD-QMTHXVAHSA-N 293.367 0.993 10 10 CCCE Cc1ccc(C(=O)N2CCCNC(=O)[C@H]2C)c(O)c1O 188092699 OPGGVZOACGWVEU-SECBINFHSA-N 278.308 0.757 10 10 CCCE Cc1nccn1CCN(CC(N)=O)Cc1ccc(N)cc1 49330783 GQARAXPIHNQFNN-UHFFFAOYSA-N 287.367 0.761 10 10 CCCE NC(=O)CC1CCN(C(=O)COc2ccc(N)cc2)CC1 40330181 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289.361 0.368 10 10 CCCE O=S1(=O)C[C@H]2[C@@H](CNCc3cc(F)ccc3O)[C@H]2C1 2117982598 NOJPAZDALSMRCD-ZSBIGDGJSA-N 285.340 0.912 10 10 CCCE COC[C@H](NC(=O)c1cc(O)cs1)c1nn[nH]n1 1177829090 VSCHQKCOIIGKQP-LURJTMIESA-N 269.286 0.084 10 10 CCCE NC(=O)NC1CN(c2ccc3c(c2)CCC[C@@H]3N)C1 2128273272 VSNWSDCLGQHIAF-ZDUSSCGKSA-N 260.341 0.880 10 10 CCCE Cc1cc(CO)ccc1N1C[C@@H]2C[C@H](C1)[C@@H](O)[C@@H]2O 2126159256 PWQLJHFYJVTFAT-AYRXBEOTSA-N 263.337 0.665 10 10 CCCE CN(C)c1ccc(C=CC(=O)NOC2CNC2)cc1 2122882877 FJMLZOQQBIXSNY-UHFFFAOYSA-N 261.325 0.785 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1C[C@H]2C[C@@H](O)C[C@H]2C1 2128643685 FPTQELJZWJVIOG-ILWJIGKKSA-N 264.281 0.336 10 10 CCCE Nc1ccc(OCC(=O)N[C@H]2CCNC(=O)C2)cc1 2129766577 NQNSDISZCPEQQS-JTQLQIEISA-N 263.297 0.042 10 10 CCCE Nc1ccc(CCC(=O)N2CC[C@@H](O)[C@H](O)C2)cc1 2132176270 PKJAUHUGWMOZIN-CHWSQXEVSA-N 264.325 0.156 10 10 CCCE C[C@]1(CO)C[C@H](NC(=O)c2cc(O)c(O)c(O)c2)C1 2132351302 WIKBQIWZZHELSG-XCSCGOTBSA-N 267.281 0.694 10 10 CCCE N[C@@H]1C[C@H]2CN(C(=O)c3cc(O)c(O)c(O)c3)C[C@@H]12 2132418389 JRHCXYFAUQEAOJ-DJLDLDEBSA-N 264.281 0.223 10 10 CCCE C[C@@H]1[C@@H](O)CCN1c1ccc2c(c1)N(C)C(=O)[C@@H]2O 1914411660 OHPUDVCKZPRRDI-OXHMUOHRSA-N 262.309 0.656 10 10 CCCE Cn1nc(C(=O)N2CCC[C@@H](CN=[N+]=[N-])C2)ccc1=O 1912162010 QGPKYDFWJUUEDE-VIFPVBQESA-N 276.300 0.943 10 10 CCCE CCOC(=O)[C@H](O)CN1CCC[C@H](CN=[N+]=[N-])C1 1912211305 VJEKLBDFMSNHEI-NXEZZACHSA-N 256.306 0.933 10 10 CCCE CC1(NC(=O)Nc2ccc(N)cc2)CS(=O)(=O)C1 1918400894 SOADCUQJQFQDBL-UHFFFAOYSA-N 269.326 0.577 10 10 CCCE COc1nc(N(C)C)sc1[C@@H](O)C(=O)C(C)=O 1919067428 DYUHXKNKKIWKDX-ZETCQYMHSA-N 258.299 0.409 10 10 CCCE CC(=O)C(=O)[C@@](C)(O)[C@@H](C)NC(=O)OC(C)(C)C 1919145565 YOUAMHQAPZWFDD-PELKAZGASA-N 259.302 0.809 10 10 CCCE COc1ccc(CNC(=O)/C=C\Cn2cncn2)c(O)c1 1467471401 YLWNDFJSSAIBGU-IHWYPQMZSA-N 288.307 0.865 10 10 CCCE C[C@]1(O)CN(C(=O)Cc2ccc(N)cc2)CC[C@H]1O 2136837440 XEDRDIJNKPQTDG-OCCSQVGLSA-N 264.325 0.156 10 10 CCCE N[C@@H]1C[C@@H]2C[C@@H](NC(=O)c3cc(O)nc(O)c3)C[C@H]12 2137367229 BPLXGMLRGVHLRZ-QRYDPKPESA-N 263.297 0.348 10 10 CCCE C[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CCO1 1540534496 ASNTUBZAFMTSGN-VIFPVBQESA-N 251.282 0.888 10 10 CCCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1nnn(C)n1 1623574076 JYEDYNYAFSDESO-UHFFFAOYSA-N 282.300 0.331 10 10 CCCE CO[C@H]1COCC[C@H]1N(C)C(=O)Cc1ccc(O)c(O)c1 1636779604 MOKYVTJHSDKWLD-RISCZKNCSA-N 295.335 0.903 10 10 CCCE C[C@@H]1CCNC(=O)[C@H]1NC(=O)Cc1ccc(O)c(O)c1 1568086624 YTIRNICAFKOABZ-OQPBUACISA-N 278.308 0.281 10 10 CCCE COC[C@H](CN)N1CCN(c2ccc(OC)cc2)CC1 232397029 KRIASDGUCIUBNK-AWEZNQCLSA-N 279.384 0.791 10 10 CCCE COc1cccc(CNC(=O)NCC(=O)N(C)OC)c1O 1683436454 XCGJMDYAOIEQNB-UHFFFAOYSA-N 297.311 0.220 10 10 CCCE CN=c1nc(C)[nH]c(=NCc2cccc(C)c2O)[nH]1 2139761835 KPJPSCLQNPJJRL-UHFFFAOYSA-N 259.313 0.692 10 10 CCCE COCCN1C(=O)NC(=O)/C(=C/c2cccs2)C1=O 208734975 AOCGBZAMIDZENI-CLFYSBASSA-N 280.305 0.856 10 10 CCCE Cc1cc2c(cc1N(C)C[C@H](N)CO)OCCO2 259134608 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C[C@H](O)[C@H]1CCN(S(=O)(=O)Cc2ccc(N)cc2)C1 161510353 AIAYNRBFLGRPKP-JQWIXIFHSA-N 284.381 0.801 10 10 CCCE CNC(=O)[C@H]1CCCN1CC(=O)Nc1ccc(N)cc1 42390929 XPIVVMSVHYBBRV-GFCCVEGCSA-N 276.340 0.418 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN1S(=O)(=O)c1nc[nH]n1 2009217827 HKBUDZBBDIUBEU-ZCFIWIBFSA-N 257.279 0.268 10 10 CCCE Cc1cccc(O)c1CNC1CCN(S(N)(=O)=O)CC1 2160793067 IXGHZTGBRCAGFR-UHFFFAOYSA-N 299.396 0.458 10 10 CCCE CN(CCN)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 54419498 GHDIHPWOYRVLJE-UHFFFAOYSA-N 266.257 0.321 10 10 CCCE CS(=O)(=O)[C@H]1COC[C@H]1Nc1ccccc1N 2026338249 MZRXKYVQAOTCDM-MNOVXSKESA-N 256.327 0.493 10 10 CCCE Nc1ccc(OC[C@@H](O)CN2CCCC2=O)cc1 2026933553 GCNSVFZTNYJRAH-NSHDSACASA-N 250.298 0.631 10 10 CCCE CS(=O)(=O)CC(=O)N(Cc1ccc(N)cc1)C1CC1 70127337 KLRXEOFIJWDRBZ-UHFFFAOYSA-N 282.365 0.804 10 10 CCCE CO[C@H](CCNC(=O)c1ccc(O)c(O)c1)C(=O)O 401525158 RHRHFMKNYWOHMS-SNVBAGLBSA-N 269.253 0.317 10 10 CCCE Oc1ccc(CNCC[C@]2(O)CCOC2)c(O)c1 404133322 AUNLARBUAVJJRX-ZDUSSCGKSA-N 253.298 0.729 10 10 CCCE C[C@@H](N)c1ccc(N2CC[C@](O)(CO)C2)c(F)c1 313883052 PAPNJZURGTZTLZ-NOZJJQNGSA-N 254.305 0.779 10 10 CCCE CN(C)c1ccc(CNC(=O)[C@@H]2CCOC[C@H]2N)cc1 2159024598 NUIMSMFUAOOZAJ-ZIAGYGMSSA-N 277.368 0.733 10 10 CCCE O=C(CN1CCOCCOCC1)c1ccc(O)c(O)c1 2159476548 VUOZJHPZKIZQFJ-UHFFFAOYSA-N 281.308 0.629 10 10 CCCE CN1C[C@H]2CN(C(=O)Cc3ccc(N)cc3)C[C@@H]2C1 705677764 DVYJXTUIYFDEKI-STQMWFEESA-N 259.353 0.831 10 10 CCCE CN1C[C@H]2CN(CC(=O)Nc3ccc(N)cc3)C[C@@H]2C1 706901583 OHMQHUMKPRUJEH-RYUDHWBXSA-N 274.368 0.701 10 10 CCCE CN(C)C[C@@H](O)CN(C)c1c(F)cc(CN)cc1F 708533803 QZYIHEHRPYMDCT-SNVBAGLBSA-N 273.327 0.782 10 10 CCCE Nc1ccc(OCCC(=O)N[C@@H]2COCC[C@H]2O)cc1 710869667 INOVLMZPJXDHAW-CHWSQXEVSA-N 280.324 0.304 10 10 CCCE O=C(NC[C@@H]1CCC2(CNC2)O1)c1cccc(O)c1O 690698953 VOLDXJKYCDWYOD-VIFPVBQESA-N 278.308 0.349 10 10 CCCE CNCc1ccc(N2C[C@H]3C(=O)NC(=O)[C@@H]3C2)c(F)c1 386762762 IKDRBUARIYARQC-NXEZZACHSA-N 277.299 0.254 10 10 CCCE CN(C)c1ccc(CNC[C@H]2CN3CCN2CC3)cc1 394764782 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O=C1Nc2cc(N3C[C@H]4C[C@H](O)C[C@H]4C3)ccc2[C@H]1O 2185074542 NYDAKZABCUSTRZ-OCYKMNHNSA-N 274.320 0.879 10 10 CCCE Nc1ccc(NC(=O)NC[C@@H]2C[C@@H]3OCC[C@H]3N2)cc1 2191537966 AXYKYXRJMSJBBC-XQQFMLRXSA-N 276.340 0.910 10 10 CCCE Nc1ccc(NC(=O)N2CCO[C@]3(CCNC3)C2)cc1 2191527499 DWDMKVHSOZFCQN-AWEZNQCLSA-N 276.340 0.865 10 10 CCCE Nc1ccc(OCCS(=O)(=O)N[C@@H]2CC[C@@H](N)C2)cc1 2191641132 JRMHHNXHPQXEMH-VXGBXAGGSA-N 299.396 0.447 10 10 CCCE CCOc1cccc(CN2C[C@@H](O)CC23CNC3)c1O 2186617245 YAWZWHFXWOKAIV-LBPRGKRZSA-N 278.352 0.700 10 10 CCCE CC1(C)C[C@H](NC(=O)COc2ccc(N)cc2)[C@H]1O 2105106011 YZFOEQGOHAWHAL-WCQYABFASA-N 264.325 0.923 10 10 CCCE COC(=O)NC[C@@H]1CCN1C(=O)c1cccc(O)c1O 2187288367 KDWFNMAUMXQJIV-QMMMGPOBSA-N 280.280 0.668 10 10 CCCE CN1C(=O)[C@H](O)c2ccc(N3C[C@H]4C[C@H]3CN4C)cc21 2187612923 OKOYFTZHXXPNFX-UHIISALHSA-N 273.336 0.589 10 10 CCCE C[C@@H](C(=O)O)N(C)C(=O)c1cc(O)c(O)c(O)c1 2068565405 BOFBGEWKJDHMQL-YFKPBYRVSA-N 255.226 0.349 10 10 CCCE CNC1(CNC(=O)Cc2ccc(O)c(O)c2)CC1 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O=C(c1ccc(O)c(O)c1)N1CC[C@H]2CCN[C@H]2C1 2087442513 GVGACIWEOJXRTO-KOLCDFICSA-N 262.309 0.922 10 10 CCCE COC[C@H]1CNCCN1C(=O)c1cccc(O)c1O 2088493439 CVNNKENXWDMRJZ-SECBINFHSA-N 266.297 0.158 10 10 CCCE CC[C@@H]1C[C@@H](NC)CN1C(=O)c1cc(O)nc(O)c1 2088869281 XFGUCGGFXMOXMY-NXEZZACHSA-N 265.313 0.705 10 10 CCCE O=c1nc(O)cc(O)n1CCc1ccc(O)c(O)c1 2109660091 LKLAVUYGMTVBPQ-UHFFFAOYSA-N 264.237 0.308 10 10 CCCE CO[C@H]1CN(C(=O)c2cccc(O)c2O)CC[C@@H]1O 2090577305 TYJVTOJLIYIUKI-ONGXEEELSA-N 267.281 0.320 10 10 CCCE Oc1cccc(CNCCN2CC3(COC3)C2)c1O 2092676768 CFEZAIBOPJVTDF-UHFFFAOYSA-N 264.325 0.520 10 10 CCCE Cc1cc([C@H](C)O)ccc1N1CCOC[C@@H]1C(N)=O 2232105807 GPPIJKYFVRIMSZ-GXFFZTMASA-N 264.325 0.739 10 10 CCCE Nc1ccc(CC(=O)N[C@@H]2CCC[C@H](O)[C@H]2O)cc1 2224343364 UJXUDNICACGEAV-DYEKYZERSA-N 264.325 0.202 10 10 CCCE [N-]=[N+]=N[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CO[C@@H]2COC[C@@H]21 2225796046 TWEJXUWUIKDTCV-KAMPLNKDSA-N 266.301 0.995 10 10 CCCE COc1ccc(N2CCO[C@H](CN(C)C)C2)c(CN)c1 2235956889 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Cc1cc(N2CCC[C@](O)(C(N)=O)C2)ccc1[C@@H](C)N 2285138134 RXLRTLOGVLRENX-IAQYHMDHSA-N 277.368 0.831 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1[C@H]2COC[C@H]1CC(O)C2 2285859091 GJHMTVNTLNHNEW-NXEZZACHSA-N 279.292 0.462 10 10 CCCE N[C@@H]1CCc2cc(N3CC4(CNC(=O)CO4)C3)ccc21 2289723796 BQRZDHFKVXXMKL-CYBMUJFWSA-N 273.336 0.338 10 10 CCCE NCc1ccc(N2C[C@@H]3C[C@H]2[C@H](O)[C@@H]3O)cc1F 2308770551 BHCZBRNRGJPIPW-KNDHEWATSA-N 252.289 0.215 10 10 CCCE C[C@@H](N)[C@@H]1C[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2310734268 FFDXPZPSTCIPKZ-DTLFHODZSA-N 252.270 0.269 10 10 CCCE [N-]=[N+]=NCCCNC(=O)[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)O 2333613114 LVHLMIJDZOCHJA-KDXUFGMBSA-N 268.273 0.681 10 10 CCCE O=S1(=O)C[C@H]2CN(c3ccc4c(c3)CC[C@H]4O)C[C@@H]21 2336461166 PPMXJJOZSMZHKG-HONMWMINSA-N 279.361 0.899 10 10 CCCE C[C@H](C(=O)N1CCc2cc(O)c(O)cc2C1)N(C)C 2341192220 MWBBHFFEYZHOGA-SECBINFHSA-N 264.325 0.933 10 10 CCCE CN(C)c1ccc2c(c1)OCCN2C(=O)Cn1ccnn1 177658913 VGBDZSKYTDZYQD-UHFFFAOYSA-N 287.323 0.770 10 10 CCCE Cc1ncc(CN2C(=O)CSC2=S)c(N)n1 309221060 PHBQHBFDZXKWHR-UHFFFAOYSA-N 254.340 0.728 10 10 CCCE CCCCN(CC(N)=O)CC(=O)Nc1ccc(N)cc1 42690765 SSWANXYPNIARIN-UHFFFAOYSA-N 278.356 0.795 10 10 CCCE Nc1ccc(NC(=O)NC[C@@H]2COCCO2)cc1 38063169 MQVXUCZJXGLIJT-LLVKDONJSA-N 251.286 0.806 10 10 CCCE C[C@H]1C[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1O 76000467 YPJTVSZJIMKWAT-OIBJUYFYSA-N 284.337 0.902 10 10 CCCE NC(=O)c1cccc(N)c1N[C@H]1CN2CCC1CC2 130039552 LRTOAZUDYUKSQG-LBPRGKRZSA-N 260.341 0.874 10 10 CCCE O=C(NC[C@H]1CC[C@H](O)C1)c1cc(O)nc(O)c1 227537967 GRHSGIZIDXVSFI-CBAPKCEASA-N 252.270 0.384 10 10 CCCE CC[S@@](=O)CCNC(=O)c1ccc(O)c(O)c1 227028317 OQSSZOZNYQLYLZ-QGZVFWFLSA-N 257.311 0.596 10 10 CCCE CCS(=O)(=O)NC(=O)CCc1ccc(N)cc1 233807659 UYRJNQGZDAZJIP-UHFFFAOYSA-N 256.327 0.667 10 10 CCCE COc1cc2c(cc1Cl)N(C)C[C@@H](C(=O)O)NC2=O 527431520 MHDHANXEXVKZBZ-QMMMGPOBSA-N 284.699 0.981 10 10 CCCE CO[C@H]1C[C@@H](OC)CN(C(=O)c2ccc(O)c(O)c2)C1 2165508373 XFIFSNSODVCUEW-PHIMTYICSA-N 281.308 0.974 10 10 CCCE 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COC(=O)[C@H](Cn1cncn1)NC(=O)c1cc(O)cs1 1179214713 LWSKYZOWBUGURZ-QMMMGPOBSA-N 296.308 0.017 10 10 CCCE Nc1ccc(OCC(=O)N2C[C@H]3C[C@H](O)[C@H]2C3)cc1 2120661873 XZBYRKQJYXZTNQ-WQAKAFBOSA-N 262.309 0.629 10 10 CCCE COc1ccc(CN2CC[C@@H](CO)[C@H](N)C2)c(O)c1 2122333852 HYYIHULXYDZTPA-WCQYABFASA-N 266.341 0.542 10 10 CCCE O=C(CN1CCC=C[C@@H]1CO)c1ccc(O)c(O)c1 2125948928 CHMCWDUBBPYQTF-LLVKDONJSA-N 263.293 0.903 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN1C(=O)[C@@H]1CO[C@@H]2COC[C@H]21 2123016582 ZBEVIDJKFQDHOX-LMLFDSFASA-N 266.301 0.949 10 10 CCCE CS[C@@H](CO)[C@H](C)NC(=O)c1cc(O)c(O)c(O)c1 2132347983 BAMWOGZNMDGSHX-WKEGUHRASA-N 287.337 0.646 10 10 CCCE CN(C(=O)c1cc(O)c(O)c(O)c1)C(C)(C)C(N)=S 2132401113 RMIRWIFTDCNBLQ-UHFFFAOYSA-N 284.337 0.940 10 10 CCCE CC(C)C[C@@H](CN)NC(=O)c1cc(O)c(O)c(O)c1 2132402516 ZEIUNNVKIFQBQV-VIFPVBQESA-N 268.313 0.907 10 10 CCCE CC[C@H](C)[C@H](NC(N)=O)C(=O)N1CC[C@@H](N=[N+]=[N-])C1 1912158345 WVEAEHQRGIWCFJ-YIZRAAEISA-N 268.321 0.981 10 10 CCCE 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COc1ccc(O)c(CNC[C@H]2[C@@H]3CS(=O)(=O)C[C@H]23)c1 2174620418 YYSIKQMENHDMLD-XYYAHUGASA-N 297.376 0.781 10 10 CCCE COC[C@@]1(C)COCCN1C(=O)c1cccc(O)c1O 2168249895 YMEZQZDTYKFEEJ-AWEZNQCLSA-N 281.308 0.975 10 10 CCCE O=C(NC1CN([C@H]2CCOC2)C1)c1cccc(O)c1O 2169251452 QDRXDZWDCJQBBU-JTQLQIEISA-N 278.308 0.301 10 10 CCCE CC(C)N(Cc1ccc(N)cc1)CC(CO)(CO)CO 2179744581 CXYYHXWBFAOOKV-UHFFFAOYSA-N 282.384 0.443 10 10 CCCE CN1C[C@H](Nc2c(N)cccc2C(N)=O)CCCC1=O 2188503684 KTQAYDJNNVEUHS-SECBINFHSA-N 276.340 0.791 10 10 CCCE NCCOc1ccc(C(=O)C(=O)C[C@H]2C[C@H](N)C2)cc1 2183474256 DDFAQYFGNFAZDY-UMSPYCQHSA-N 276.336 0.903 10 10 CCCE CS(=O)(=O)N1CCN(c2ccc3c(c2)CC[C@H]3O)CC1 2184743945 PFFSADRNEJRLNH-CQSZACIVSA-N 296.392 0.748 10 10 CCCE COc1ccc(N2C[C@H]3C[C@H]2[C@@H](O)[C@H]3O)c(N)c1 2042552779 VFCFSCKQTMKBOH-FFAVSVRISA-N 250.298 0.208 10 10 CCCE Nc1ccc(NS(=O)(=O)[C@H]2C[C@H](C(=O)O)C2)cc1 2044145154 WORXACNUUPABBI-GVJMRKKJSA-N 270.310 0.874 10 10 CCCE CC[C@@H](Nc1c(N)cccc1C(N)=O)C(=O)OC 2046433792 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294.351 0.627 10 10 CCCE O=C1N[C@H](C(=O)NCc2c(O)cccc2F)CS1 928712317 QWNZPOAEASVILH-QMMMGPOBSA-N 270.285 0.973 10 10 CCCE CON1CC[C@H](OC(=O)c2cc(O)cs2)C1=O 922435704 BLPYGHQOEDOEKO-ZETCQYMHSA-N 257.267 0.773 10 10 CCCE COC(=O)[C@]1(OC)CCN(C(=O)c2cccc(O)c2O)C1 862742974 GAMAPVOLAWUJIZ-AWEZNQCLSA-N 295.291 0.502 10 10 CCCE COC(=O)COCC(=O)N1Cc2cccc(O)c2C1 1119056911 SSBSXXHVAGFNHC-UHFFFAOYSA-N 265.265 0.424 10 10 CCCE Cn1cccc(C(=O)NCc2ccc(O)c(O)c2)c1=O 778916747 PXSOPJDBYSLCPU-UHFFFAOYSA-N 274.276 0.727 10 10 CCCE Cn1cc([C@@H]2NCCc3c2cc(O)c(O)c3O)cn1 75818943 IGLJGUHFUHWKKM-NSHDSACASA-N 261.281 0.772 10 10 CCCE Cc1cc2c(cc1N1CCO[C@@H](CN)C1)OCCO2 84638752 IGMZHYNKDXIZOS-NSHDSACASA-N 264.325 0.930 10 10 CCCE CN(CCO)CCN(C)c1ccc(CN)c(F)c1 691286206 BJMXLSKSGQXYQV-UHFFFAOYSA-N 255.337 0.645 10 10 CCCE CN(C)c1ccc(CNC(=O)[C@@]23CNC[C@@H]2C3)cc1 693194101 BFBLXNGSNHOKFZ-WFASDCNBSA-N 259.353 0.978 10 10 CCCE CNC(=O)[C@H]1CCN(C(=O)c2ccc(C)c(O)c2O)C1 1142621150 YPRFWUMCTQYLSM-VIFPVBQESA-N 278.308 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CN(C[C@@H](N)C1CC1)C(=O)c1cc(O)c(O)c(O)c1 2132414560 YAJYLEZZWURDKU-SECBINFHSA-N 266.297 0.613 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@H]2CNC[C@@H]2C1 2132413861 QSLBRCKDFNRYTH-RKDXNWHRSA-N 264.281 0.095 10 10 CCCE CCO[C@H]1CS(=O)(=O)C[C@H]1N1CCC(N=[N+]=[N-])CC1 1912183486 PUPQTKORIIQNAG-MNOVXSKESA-N 288.373 0.963 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCN(S(=O)(=O)N2CCOCC2)C1 1912159232 FQHRQJYOMGITCN-JTQLQIEISA-N 289.361 0.586 10 10 CCCE COCCC1CC(NCCCN=[N+]=[N-])(C(N)=O)C1 1912169690 NRALEFRPWAIFBE-UHFFFAOYSA-N 255.322 0.947 10 10 CCCE COc1ccc(N2CCN([C@H]3CNC[C@H]3O)CC2)cc1 111059306 YTUPNUHJNCQWHQ-LSDHHAIUSA-N 277.368 0.150 10 10 CCCE Cc1ccc(C(=O)NCc2nnc(O)n2C)c(O)c1O 1452471679 IRRPFWGKIRTVKI-UHFFFAOYSA-N 278.268 0.170 10 10 CCCE COCCCS(=O)(=O)CC(=O)Nc1ccc(N)cc1 111659352 FQFPTIJLYXQIFN-UHFFFAOYSA-N 286.353 0.659 10 10 CCCE CC(=O)C(=O)[C@@]1(O)COCCN(C(=O)OC(C)(C)C)C1 1919375781 HJJOKTFAOUPEIE-ZDUSSCGKSA-N 287.312 0.143 10 10 CCCE CCO[C@@H]1C[C@@H](NC(=O)Cc2ccc(O)c(O)c2)[C@H]1OC 1617213451 MEVKSHAMSOQBDI-WDBKCZKBSA-N 295.335 0.949 10 10 CCCE C[C@@H]1CN(c2ccc(CN)cc2F)CC(=O)N1C 1925965141 AEYAQQCKDPGXIM-SECBINFHSA-N 251.305 0.951 10 10 CCCE CS(=O)(=O)N1CCN(c2ccc(CN)cc2)CC1 19680132 PSMRCUAHKDZFFU-UHFFFAOYSA-N 269.370 0.227 10 10 CCCE CC(C)NC(=O)[C@@H]1COCCN1Cc1ccc(N)cc1 124412261 ZGMZKCJMOWOPRC-AWEZNQCLSA-N 277.368 0.994 10 10 CCCE Cc1cccc(CNC(=O)C[C@H]2CNCCO2)c1O 2139763040 WPUKFDSUUMSZCW-LBPRGKRZSA-N 264.325 0.695 10 10 CCCE CCN(C)C(=O)[C@H](C)NC(=O)c1ccc(O)c(O)c1 233433636 AGVULBSYRPOTKO-QMMMGPOBSA-N 266.297 0.694 10 10 CCCE O=C1COc2ccc(N3CCNCC3)cc2N1CCCO 31947290 KAPITRKWJHYHGC-UHFFFAOYSA-N 291.351 0.204 10 10 CCCE Nc1ccc(N2CC[C@@H](CS(N)(=O)=O)C2)cc1 1940833549 CJLOFUFLNOWBMI-SECBINFHSA-N 255.343 0.384 10 10 CCCE COCCNC(=O)CN(C)[C@H](C)c1c(O)cccc1O 234625926 QVRXELUHYDUXID-SNVBAGLBSA-N 282.340 0.853 10 10 CCCE C[C@@H]1[C@@H]2CNC[C@H]2CN1C(=O)Cc1ccc(N)cc1 1876478484 XBAHEHPMQJEPPE-OSMZGAPFSA-N 259.353 0.878 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@]12CCC[C@@H]1CNC2 2144029686 KAODBIVWEGIASZ-IAQYHMDHSA-N 276.336 0.899 10 10 CCCE O=C(O)[C@@]1(O)CCCN(Cc2ccc(F)cc2O)C1 1964722493 ZWJGMGAVEFXVSW-CYBMUJFWSA-N 269.272 0.943 10 10 CCCE CC(C)N(CC(N)=O)[C@@H](C)C(=O)Nc1ccc(N)cc1 42427829 WXNKDJCGFHSKSZ-JTQLQIEISA-N 278.356 0.792 10 10 CCCE CC[C@@H](N)CC(=O)NCCc1ccc(O)c(O)c1 1968739314 OFRKMXPQOVQLKG-SNVBAGLBSA-N 252.314 0.884 10 10 CCCE COC[C@@H](C)NC(=O)CN(C)Cc1ccccc1O 1968857518 NVXREUNTZZLWCQ-LLVKDONJSA-N 266.341 0.975 10 10 CCCE Nc1ccc(CCNC(=O)[C@H]2[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 1969320623 MHWSNSCZXDXXME-ITGUQSILSA-N 294.376 0.218 10 10 CCCE C[C@H](CCCN)NC(=O)Cc1ccc(O)c(O)c1 1971725945 HHPNCYCKJAHZEM-SECBINFHSA-N 252.314 0.884 10 10 CCCE COc1cc(Cl)cc(CN2C[C@@H](N)C[C@@H](O)C2)c1O 1971895995 DXMNRQXMIBCGTP-WDEREUQCSA-N 286.759 0.948 10 10 CCCE Nc1ccc(CCC(=O)N2C[C@@H]3OCCO[C@@H]3C2)cc1 2149773381 WMEBPFVKTDHVLO-OKILXGFUSA-N 276.336 0.828 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N(CCO)C3CC3)cc21 155750117 LUEUAVWZXDTYKZ-CYBMUJFWSA-N 261.325 0.624 10 10 CCCE CN(C)[C@H]1CN(C(=O)CCc2ccc(N)cc2)C[C@@H]1O 2146156096 PZJGQXWJEPHFHF-KBPBESRZSA-N 277.368 0.335 10 10 CCCE Nc1ccc(CCC(=O)N[C@H]2CCCCNC2=O)cc1 158115440 DXJJIAUOXVFWAP-ZDUSSCGKSA-N 275.352 0.986 10 10 CCCE Oc1ccc(-c2noc([C@@H]3[C@@H]4NCCO[C@H]43)n2)cc1O 2149285465 GPDAEIYTTOPBSP-VWYCJHECSA-N 275.264 0.602 10 10 CCCE CC(C)S(=O)(=O)CCCn1ccc2c(c1=O)CNCC2 2150798574 VWXPZKRTMRJJAC-UHFFFAOYSA-N 298.408 0.707 10 10 CCCE Nc1ccc(OCCN2CC(=O)N3CCC[C@@H]3C2)cc1 2158197397 TZRHYSZGTBRGQT-CYBMUJFWSA-N 275.352 0.954 10 10 CCCE COC(=O)[C@@H]1C[C@H]1C(=O)NCCc1ccc(O)c(O)c1 269121479 DOXMWWPPESOLOS-NXEZZACHSA-N 279.292 0.566 10 10 CCCE O=C(O)[C@H]1C[C@H](F)CN1C(=O)Cc1ccc(O)c(O)c1 2151939363 BGUWXRJMYIGZDE-DTWKUNHWSA-N 283.255 0.664 10 10 CCCE COC1CN(S(=O)(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])C1 2218743627 GQVCSNVUSLNSIF-RKDXNWHRSA-N 275.334 0.383 10 10 CCCE CN1CCN(CC(=O)N(C)c2ccc(N)cc2)C1=O 52885420 PEQKTSJDROWGLT-UHFFFAOYSA-N 262.313 0.599 10 10 CCCE Cn1cc(S(=O)(=O)Nc2ccc(O)cc2Cl)nn1 2027812764 PFKRNMSLGFVZRP-UHFFFAOYSA-N 288.716 0.975 10 10 CCCE CCN1CCO[C@H]([C@H](NN)c2ccccc2O)C1 2029542285 CYGLMRLLPYVYBI-QWHCGFSZSA-N 251.330 0.617 10 10 CCCE COC[C@H](N[C@@H](C)c1cc(F)ccc1O)C(N)=O 2034939583 ILOVCFGVKQUFPS-XVKPBYJWSA-N 256.277 0.682 10 10 CCCE C[C@@H](C1CNC1)N(C)C(=O)c1ccc(O)c(O)c1 2036982027 MCPAPRWVDKVKGI-QMMMGPOBSA-N 250.298 0.778 10 10 CCCE CN1CC[C@H](OC(=O)CCc2ccc(N)cc2)C1=O 71196277 RKNPZTMRMJFBNJ-LBPRGKRZSA-N 262.309 0.975 10 10 CCCE CNc1nc(N)nc([C@H](N)Cc2ccc(O)c(O)c2)n1 313510132 LWELWVFYSAKXRK-SSDOTTSWSA-N 276.300 0.149 10 10 CCCE OC[C@H]1CN(c2ccc(CNC3CC3)cc2F)C[C@H]1O 316897439 DICQWGCFTNDJQO-IAQYHMDHSA-N 280.343 0.867 10 10 CCCE COc1ccc(N2C[C@@H](O)[C@H](CO)C2)c([N+](=O)[O-])c1 316946915 BAEBZJVPFQLVJL-QPUJVOFHSA-N 268.269 0.393 10 10 CCCE CN(C)c1ccc(CNS(=O)(=O)[C@H]2C[C@H](CO)C2)cc1 2157796491 XZUJDXYKNPSEOS-MQMHXKEQSA-N 298.408 0.943 10 10 CCCE Cc1nsc(N(CC(N)=O)Cc2ccc(N)cc2)n1 87632696 GUNFJZAAHURAPO-UHFFFAOYSA-N 277.353 0.921 10 10 CCCE Cc1noc(CN(C)S(=O)(=O)Cc2ccc(N)cc2)n1 706829635 OAKJLFXZCQYMLU-UHFFFAOYSA-N 296.352 0.922 10 10 CCCE CN(C)c1ccc(CN2CCO[C@H]3CNC[C@H]32)cc1 686546692 VLJNMSUVLBTVGR-CABCVRRESA-N 261.369 0.925 10 10 CCCE COc1ccc(O)c(CN[C@@H]2CS(=O)(=O)C[C@H]2C)c1 711655279 OOLKYPBWKMNBCD-BXKDBHETSA-N 285.365 0.924 10 10 CCCE COC(=O)[C@@H](O)CN(Cc1ccc(N)cc1)C1CC1 389066323 JTBCPSSZASNVJF-ZDUSSCGKSA-N 264.325 0.767 10 10 CCCE CN(C)CC1(NC(=O)CCc2ccc(N)cc2)COC1 2176875415 BQBMEHBQVFJUCG-UHFFFAOYSA-N 277.368 0.648 10 10 CCCE C[C@H]1C[C@H](O)CN1C(=O)COc1ccc(N)cc1 385244301 MFJKTJGNIPJANY-ONGXEEELSA-N 250.298 0.629 10 10 CCCE N#Cc1cnn(C[C@@H](O)COc2ccc(N)cc2)c1 388407092 ZHXXNCWDAWYTFJ-GFCCVEGCSA-N 258.281 0.777 10 10 CCCE CNC(=O)CC[S@@](=O)[C@H](C)C(=O)Nc1ccc(N)cc1 399296383 NUJIZEIDQGVREX-GSDQLPOLSA-N 297.380 0.481 10 10 CCCE Cc1cc(O)n2ncc(C(=O)N3C[C@@H]4C[C@H]4C3)c2n1 2063444760 WBSCFZIWEQQDNE-IUCAKERBSA-N 258.281 0.835 10 10 CCCE C[C@H](O)[C@@H](CO)NC(=O)C=Cc1ccc(N(C)C)cc1 2174123683 NVNKAMAYQRUKQT-SMDDNHRTSA-N 278.352 0.624 10 10 CCCE CNCc1n[nH]c(NC(=O)C2=S=Nc3ccccc32)n1 2169407584 OUGVBYBBUBSXMH-UHFFFAOYSA-N 288.336 0.595 10 10 CCCE COc1cccc(O)c1CN[C@@H]1CCN(C2COC2)C1 2169583545 NMPPAUPMVNCBGE-LLVKDONJSA-N 278.352 0.964 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@H](O)CC12CCC2 2188867974 KBLHXHNECOFJAP-SECBINFHSA-N 279.292 0.933 10 10 CCCE C[C@H](NC(=O)c1cc(O)c(O)c(O)c1)[C@@H]1COCCO1 2188920598 WRXAYCIPXLXNPX-CPCISQLKSA-N 283.280 0.337 10 10 CCCE C[C@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)C[C@@]1(C)CN 2188918101 BNYGRSYNJZNCJA-RMLUDKJBSA-N 280.324 0.860 10 10 CCCE CC(C)[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)CCN1 2188923437 LBNQGZQFGRCBHB-JTQLQIEISA-N 280.324 0.873 10 10 CCCE C[C@H](N)C[S@](C)(=O)=NC(=O)c1cc(O)nc(O)c1 2042220778 JDDFJUSOXAFSKL-QQOXFEPMSA-N 273.314 0.078 10 10 CCCE Nc1ccc(CCOC[C@H]2CCS(=O)(=O)N2)cc1 2056189928 RZCRCKFKHIWEAE-GFCCVEGCSA-N 270.354 0.520 10 10 CCCE Nc1ccc(NC(=O)N2C[C@H]3C[C@H]2[C@H](O)[C@H]3O)cc1 2104419007 BTRPSTOJFRMDTF-VNLLXPHSSA-N 263.297 0.227 10 10 CCCE O=S1(=O)C[C@@H](NCc2cccc(Cl)c2O)[C@@H](O)C1 2057714685 QZRHRCPQEWFRKH-ZJUUUORDSA-N 291.756 0.293 10 10 CCCE Nc1ccc(CS(=O)(=O)NC[C@H]2CC3(CC3)CN2)cc1 2191637472 IUSVYXOHYBITTG-CYBMUJFWSA-N 295.408 0.830 10 10 CCCE N[C@@H]1CC[C@H](NC(=O)c2cc(O)c(O)c(O)c2)C1 2068623185 DTEOMUQDPYGZQD-SFYZADRCSA-N 252.270 0.413 10 10 CCCE NCCN(C(=O)c1cc(O)c(O)c(O)c1)C1CC1 2068623758 JPAIXEFBICBRPS-UHFFFAOYSA-N 252.270 0.367 10 10 CCCE C[C@@H](NS(=O)(=O)[C@H]1CCNC1)c1ccccc1O 2072492125 YJHZAQRJDMDJJS-ZJUUUORDSA-N 270.354 0.735 10 10 CCCE Nc1ccc(CS(=O)(=O)NO[C@@H]2CCOC2)cc1 2072969355 HWXXIIBEXLOSFO-LLVKDONJSA-N 272.326 0.409 10 10 CCCE C[C@@H](c1ccccc1O)N1CC(CO)(C(=O)O)C1 2081051260 XZSRSBASKRHVRR-VIFPVBQESA-N 251.282 0.832 10 10 CCCE COc1cccc(O)c1CNCCc1nncn1C 2104439719 SRGOYAVKDYWANS-UHFFFAOYSA-N 262.313 0.862 10 10 CCCE CN1CCc2cc([C@H](NN)c3cn(C)cn3)ccc21 2106856569 ATPIXMRBLVBVKK-AWEZNQCLSA-N 257.341 0.965 10 10 CCCE C[C@H](NC[C@H]1CCS(=O)(=O)N1)c1ccc(O)cc1O 2089999714 VREXJODDGPACMX-DTWKUNHWSA-N 286.353 0.440 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1C[C@@H](O)[C@H](C2CC2)C1 2090674468 NQSPPOVKOGHTMX-GXFFZTMASA-N 263.293 0.941 10 10 CCCE COc1ccc(N2CCN([C@@H](C)CO)CC2)c(N)c1 2113059842 OJMCGTUYZKCDLA-NSHDSACASA-N 265.357 0.780 10 10 CCCE Nc1ccc(CCN2CCN(CCCO)CC2)cc1 2113619568 JAWFADOYCSZOQH-UHFFFAOYSA-N 263.385 0.811 10 10 CCCE COc1cc(N2C[C@@H]3OC[C@@H](CO)[C@@H]3C2)ccc1CO 2204554148 PFRPLGQAGIMGAQ-ZLDLUXBVSA-N 279.336 0.631 10 10 CCCE CCNCc1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CF)cc1C 2205612242 NGRSOWVPKMCDAA-ILXRZTDVSA-N 282.359 0.984 10 10 CCCE CCS(=O)(=O)CNC(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-] 2218742133 FHIKTNBJODDKFP-HTQZYQBOSA-N 275.334 0.909 10 10 CCCE Cc1cc([C@H](C)O)ccc1N1CC[C@@](O)(C(N)=O)C1 2232097798 GHFLEYKAUSYCGN-HZMBPMFUSA-N 264.325 0.475 10 10 CCCE NC[C@]12COC[C@H]1CN(C(=O)c1ccc(O)c(O)c1)C2 2234560468 WVKWRACVBUFQCB-YGRLFVJLSA-N 278.308 0.145 10 10 CCCE CN1C(=O)[C@H](O)c2ccc(N3CC=C[C@]3(C)CO)cc21 2237173398 XHMUJWYMZOWJCI-UKRRQHHQSA-N 274.320 0.824 10 10 CCCE COc1ccc(N2CCC[C@@H]2[C@@H](O)CO)c(C=O)c1 2227696339 SCDZWSXTCZZHKB-KGLIPLIRSA-N 265.309 0.830 10 10 CCCE CSc1ncc(CNC(=O)C[C@@H]2COC[C@H]2N)s1 2257085237 GRSLOSNLPFLEOH-VXNVDRBHSA-N 287.410 0.845 10 10 CCCE Nc1ccc(CCC(=O)N2CC[C@H](O)[C@@H](O)CC2)cc1 2284561205 KRQHITALARZVKL-KBPBESRZSA-N 278.352 0.546 10 10 CCCE COc1cc(N)c(N2CC[C@H](O)[C@H](O)CC2)cc1OC 2284572038 XAMWREFCLYWLIC-TXEJJXNPSA-N 282.340 0.608 10 10 CCCE NC(=O)C[C@@H]1CCCN1c1ccc2c(c1)NC(=O)[C@@H]2N 2285554018 BXRUGVGQULICBO-ISVAXAHUSA-N 274.324 0.483 10 10 CCCE COc1cc(OC)c(N2C[C@H](O)C[C@@H](O)C2)c(OC)c1 2287066887 AFOBGUADTJVOCH-NXEZZACHSA-N 283.324 0.644 10 10 CCCE C[C@@H](O)c1ccc(N2C[C@H](O)[C@@H](O)[C@@H](CO)C2)c(F)c1 2289357278 FQPTTXMZXSTNNM-PGOKHVGTSA-N 285.315 0.029 10 10 CCCE COc1ccc(N2C[C@H]3C[C@H](O)[C@H](O)[C@@H]2C3)c(N)c1 2330371782 YEUMGNJYTSSYEO-DGJRKYIQSA-N 264.325 0.598 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@H]2[C@@H]3CCCO[C@@H]32)cc1 2330686193 FOYHIPYDHHCMDU-AVGNSLFASA-N 282.365 0.866 10 10 CCCE Cn1cc(CN2CCc3cc(O)c(O)cc3C2)nn1 2341216748 PNQBKGQFBISSDY-UHFFFAOYSA-N 260.297 0.785 10 10 CCCE CN1C(=O)[C@H](O)c2ccc(N3C[C@@H]4C[C@H](O)[C@H]3C4)cc21 2355624578 SMIMDGQFVDFAPU-ZLCVWYCYSA-N 274.320 0.656 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC[C@@H](O)C2)cc1 61708897 PUEFMLXJSOGQCQ-LLVKDONJSA-N 256.327 0.165 10 10 CCCE [N-]=[N+]=NCCN[C@]1(C(=O)O)CC(=O)N2CCC[C@H]21 302314403 KTKXMWOSRBMGEB-OIBJUYFYSA-N 253.262 0.104 10 10 CCCE NCc1ccc(N2C[C@@H](O)[C@H](O)C2)cc1Br 228157402 YKSTZZFNKCLAHO-GHMZBOCLSA-N 287.157 0.450 10 10 CCCE COC[C@](NCCN=[N+]=[N-])(C(N)=O)c1ccccc1 234794019 BREQMUFUIDKKKD-GFCCVEGCSA-N 263.301 0.914 10 10 CCCE COc1cc(Cl)cc([C@H](N)[C@H](O)C(=O)O)c1O 1952507844 SCGSHXZOPMWTCA-CBAPKCEASA-N 261.661 0.500 10 10 CCCE CN(C)c1ccc([C@H](N)[C@@](C)(O)C2CS(=O)(=O)C2)cc1 2163146906 WPMWLEKMCQFZDY-KBPBESRZSA-N 298.408 0.548 10 10 CCCE COc1ccc(N2CCN([C@@H]3CNOC3)CC2)cc1 722495865 RGTRJHAKNSFVGC-CYBMUJFWSA-N 263.341 0.721 10 10 CCCE Nc1ccc(NC(=O)CN2C[C@H]3CC[C@@H](O3)C2=O)cc1 719429837 SCCSNNIWMHCYEZ-VXGBXAGGSA-N 275.308 0.597 10 10 CCCE Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1COC(=O)N1 825980403 BTZQAKHOLVIAQB-GFCCVEGCSA-N 277.324 0.786 10 10 CCCE C[C@@H](O)[C@@H]1CN(Cc2cc3c(cc2O)OCO3)CCO1 840978568 SSWGRUBVCJSOCH-OTYXRUKQSA-N 281.308 0.703 10 10 CCCE COC[C@H]1C(=O)N[C@@H](c2cccc(F)c2O)N1C 840833270 QNDTWIIHPXSCDO-GXSJLCMTSA-N 254.261 0.607 10 10 CCCE CC(=O)N1CCO[C@@H](C(=O)N(C)Cc2ccccc2O)C1 934704602 AOXKPVNBSCJRMM-CQSZACIVSA-N 292.335 0.598 10 10 CCCE CN1CN(Cc2ccc(N3CCOCC3)cc2)CC1=O 765636859 VGWYDQZMNNXIME-UHFFFAOYSA-N 275.352 0.755 10 10 CCCE CN1CCN[C@H](Cc2nccn2-c2ccc(N)cc2)C1 76168187 USCCGBXOWVHNAM-CYBMUJFWSA-N 271.368 0.901 10 10 CCCE COCCNC(=O)[C@H](N)c1cc([N+](=O)[O-])ccc1O 83512703 CJNBPPHBTSTSKL-SNVBAGLBSA-N 269.257 0.063 10 10 CCCE CNCc1ccc(N2C[C@@H](CO)[C@H](CO)C2)c(C)c1 704778270 MIGAMHGNOUNXRZ-KBPBESRZSA-N 264.369 0.751 10 10 CCCE CNCc1ccc(N(C)CC(C)(CO)CO)c(F)c1 689673094 JYYNNSSNYDGMCF-UHFFFAOYSA-N 270.348 0.972 10 10 CCCE CN(C)C(=O)OCCNC(=O)Cc1ccc(O)c(O)c1 1146331137 BOLVUJXODQGIAK-UHFFFAOYSA-N 282.296 0.455 10 10 CCCE CNC(=O)[C@H](C)N(C)c1ccc2c(c1)NC(=O)[C@H]2NC 1916819891 YTESMINVORUCGB-UFBFGSQYSA-N 276.340 0.470 10 10 CCCE C[C@]1(C(=O)O)COC[C@H]1NC(=O)Cc1ccc(N)cc1 90572479 POCLFOPTZVANSX-RISCZKNCSA-N 278.308 0.417 10 10 CCCE Cc1ccc(C(=O)NCc2nc(O)cc(O)n2)c(O)c1O 1168430065 JUOOIRLOKCKUSA-UHFFFAOYSA-N 291.263 0.537 10 10 CCCE Nc1ccc(NC(=O)CCCN2C[C@H](O)CO2)cc1 2115760603 YPNKCZFHUJLEPS-LBPRGKRZSA-N 265.313 0.596 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CCC[C@@H]1[C@H](O)CO 2123158955 ZDQYHKLQWWHHKF-BXKDBHETSA-N 267.281 0.056 10 10 CCCE C[C@H](O)c1ccc(N2CCC[C@@H]2[C@H](O)CO)cc1O 2123173667 XMXDBLMBVNRHIO-MRCXROJRSA-N 267.325 0.768 10 10 CCCE OCc1ccc(N2C[C@H]3C[C@@H](O)[C@@H](O)[C@H]2C3)c(F)c1 2116737926 YKTWQTAAGAONJR-JXJLXUTGSA-N 267.300 0.638 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3CC=CC[C@@H]3CO)ccc21 2119815133 IMALNRZQHJIOFP-ZWNOBZJWSA-N 259.309 0.766 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N3CC=C[C@H]3CO)cc21 2119816429 SWVZFZHYKYSFCV-GWCFXTLKSA-N 259.309 0.400 10 10 CCCE CN1C(=O)NCC12CN(c1ccc(CN)cc1F)C2 2121215227 XXFYUGURELREBX-UHFFFAOYSA-N 264.304 0.498 10 10 CCCE CN[C@@H]1CCc2cc(N3CC[C@@](O)(CO)C3)ccc21 2128311962 BITJWTICAWTGKT-CABCVRRESA-N 262.353 0.827 10 10 CCCE Nc1ccc(O)c(CN2CCO[C@@H]3C[C@H](O)C[C@@H]32)c1 2128876138 NILKYZYGSFSAOS-MBNYWOFBSA-N 264.325 0.699 10 10 CCCE CN1C[C@@H](N(C)C(=O)Nc2ccc(N)cc2)CC1=O 2131961851 XOTGEEZBTGZKFD-NSHDSACASA-N 262.313 0.963 10 10 CCCE C[C@@H]1C[C@H](C(=O)O)N1C(=O)c1ccc(O)c(O)c1 1913159981 MDNJLFCDQZXAGJ-HTRCEHHLSA-N 251.238 0.785 10 10 CCCE CN(C)c1ccc(C=CC(=O)NCCS(N)(=O)=O)cc1 1911874921 AHGPKPKSNXMTNE-UHFFFAOYSA-N 297.380 0.171 10 10 CCCE COCCN(C)C[C@@H](O)CN1CCC[C@@H](N=[N+]=[N-])C1 1912163625 LUHYVIUXHKZACM-VXGBXAGGSA-N 271.365 0.700 10 10 CCCE COc1ccc(N2CCNCC(=O)C2)cc1OC 214573076 POGBLGMJTKGIEL-UHFFFAOYSA-N 250.298 0.683 10 10 CCCE C[C@@H](c1ccc(O)cc1O)N1C[C@H](O)C[C@H]1C(=O)O 2136123928 SDIMGUIFPWCNQP-NMLBEHRDSA-N 267.281 0.679 10 10 CCCE C[C@H](CC(N)=O)NC(=O)c1ccc(N=NC(N)=O)cc1 1627724140 QNFWIHRZWRNRJF-SSDOTTSWSA-N 277.284 0.843 10 10 CCCE O=C(CN1CCOC1=O)NCc1c(O)cccc1O 1558536442 YALSFWNLKDDQIT-UHFFFAOYSA-N 266.253 0.166 10 10 CCCE C[C@H](NCc1cccc(O)c1O)C(=O)N1CCOCC1 228096729 POBCVDUWOXKXCM-JTQLQIEISA-N 280.324 0.435 10 10 CCCE C[S@@](=O)CCCNC(=O)Cc1ccc(O)c(O)c1 1558476232 FATJWVUWEMASDL-GOSISDBHSA-N 271.338 0.525 10 10 CCCE COC[C@@](C)(CO)CNC(=O)Cc1ccc(O)c(O)c1 1926947736 MMWBPZCHUSSSIO-CQSZACIVSA-N 283.324 0.402 10 10 CCCE O=C1CC[C@H](CC(=O)NCc2cc(O)ccc2O)CN1 1637126382 WMDVAUYTIANQPT-SECBINFHSA-N 278.308 0.630 10 10 CCCE Cn1ccnc1COCC(=O)NCc1cc(O)ccc1O 1644754518 ZUOHYDRCYUEDLT-UHFFFAOYSA-N 291.307 0.664 10 10 CCCE Oc1ccc(CN2[C@H]3CCNC[C@H]2COC3)c(O)c1 2139768269 ZOJWGYUXSUARBE-RYUDHWBXSA-N 264.325 0.661 10 10 CCCE COc1cc(N2CCC[C@](O)(CO)C2)ccc1CN 2139700551 LCZGVUBAMQTHBA-CQSZACIVSA-N 266.341 0.478 10 10 CCCE COCCNS(=O)(=O)N(C)[C@H](C)c1ccccc1O 128802767 OCVMBRJPQAJIAR-SNVBAGLBSA-N 288.369 0.866 10 10 CCCE Nc1ccc(NC(=O)NC[C@@H]2C[C@H](N)[C@@H](O)C2)cc1 1876160845 ATJJESNOJAFTIW-ZHAHWJHGSA-N 264.329 0.489 10 10 CCCE Nc1ccc(OCCN2CCOCCS2(=O)=O)cc1 1877119083 GATAHOQWFPQRJT-UHFFFAOYSA-N 286.353 0.310 10 10 CCCE CC(=O)N[C@H](CN[C@@H](C)c1ccccc1O)C(=O)O 1877555037 WIPCDSHEMVUZFJ-GZMMTYOYSA-N 266.297 0.632 10 10 CCCE C[C@]1(O)CON(C(=O)Cc2ccc(O)c(O)c2)C1 1963008970 YPOSKIPLYDFQND-GFCCVEGCSA-N 253.254 0.165 10 10 CCCE O=C(O)[C@H]1C[C@@H](O)CN1Cc1ccc(F)cc1O 1964703363 KZLGOOMFMONDFG-NXEZZACHSA-N 255.245 0.551 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3CC[C@@H](O)[C@H](F)C3)ccc21 2144570510 DGFNNJRUKMQLFQ-RTXFEEFZSA-N 279.315 0.808 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NCCO[C@H]1CCNC1 1971519559 IOEKAMHHQALXIE-NSHDSACASA-N 280.324 0.135 10 10 CCCE O=C1CCC(C(=O)NCCc2ccc(O)c(O)c2)=NN1 2148015012 FWCSVWMIYDMIGT-UHFFFAOYSA-N 277.280 0.023 10 10 CCCE Nc1ccc(OCCC(=O)NCCc2cnn[nH]2)cc1 2145969559 XKUBQZQRDBYEDC-UHFFFAOYSA-N 275.312 0.515 10 10 CCCE C[C@@H](CO)NC(=O)c1ccn(-c2ccc(N)cc2)n1 35599161 VYRLOYVPUGTDHU-VIFPVBQESA-N 260.297 0.565 10 10 CCCE CC1(C)CN(C[C@@H](O)COc2ccc(N)cc2)[C@@H]1CO 2148953460 MLJJVTLUQAETCH-TZMCWYRMSA-N 280.368 0.711 10 10 CCCE NC(=O)CN(Cc1ccc(N)cc1)c1ncccn1 37672385 KHHACXGJLSLMRW-UHFFFAOYSA-N 257.297 0.551 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC[C@@H]1CCCO1 40458648 XBBCVPALDOXDHL-QWRGUYRKSA-N 280.324 0.263 10 10 CCCE NCc1ccc(N2CCC([C@H](O)CO)CC2)c(F)c1F 2152465476 XMZHZGQUYSRWIZ-GFCCVEGCSA-N 286.322 0.993 10 10 CCCE COC(=O)CS(=O)(=O)N(Cc1ccc(N)cc1)C1CC1 49061445 CBAFCSRMPSAUJD-UHFFFAOYSA-N 298.364 0.736 10 10 CCCE CCOC(=O)[C@@H](C)NS(=O)(=O)Cc1ccc(N)cc1 49369499 GVHHMCUPQAWALX-SECBINFHSA-N 286.353 0.640 10 10 CCCE Cc1ccc([C@H](C)NCCNS(N)(=O)=O)c(O)c1 2039806164 KWYIKVQAAIHJHI-VIFPVBQESA-N 273.358 0.144 10 10 CCCE Nc1ccc(NC(=O)CCN2C(=O)[C@H]3C[C@H]3C2=O)cc1 68689178 POXZDJCYVXSNRQ-PHIMTYICSA-N 273.292 0.602 10 10 CCCE CCOC[C@@H](O)CNC(=O)CCOc1ccc(N)cc1 312436855 SXNLAQALQUWKGD-LBPRGKRZSA-N 282.340 0.551 10 10 CCCE Nc1ccc(-n2ccc(C(=O)N[C@H]3C[C@@H]3CO)n2)cc1 2157504110 PJTXWQNSYXINKV-RNCFNFMXSA-N 272.308 0.565 10 10 CCCE Nc1ccc(CCC(=O)N2CCC(O)(CO)CC2)cc1 313638233 AFQBQNQELMISTN-UHFFFAOYSA-N 278.352 0.547 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3CCC[S@@](=O)CC3)ccc21 321570759 CGBBBKIJAKIFQU-CWTRNNRKSA-N 279.365 0.597 10 10 CCCE C[C@@H](c1ccccc1O)N1CC[C@@]2(C1)NC(=O)NC2=O 2170617165 LALLFYSISQYDGV-XPTSAGLGSA-N 275.308 0.737 10 10 CCCE Nc1ccc(OCCNC(=O)c2cccnn2)cc1 701807443 AZBFRITZZSZLEF-UHFFFAOYSA-N 258.281 0.868 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN1Cc1cc(=O)n2[nH]cnc2n1 2179617187 FBWNSWWFNCSTAD-SECBINFHSA-N 274.288 0.692 10 10 CCCE Nc1cc2c(cc1N1CC[C@@H]3C[C@@]3(O)C1)NC(=O)CO2 2171030305 YLYTUQSZUFVLMT-XLKFXECMSA-N 275.308 0.561 10 10 CCCE C[C@@H]1[C@H]2CC[C@@H](C[C@@]1(NCCCN=[N+]=[N-])C(N)=O)N2 686155975 DLFLPDUIWVQBSW-KLBPJQLPSA-N 266.349 0.661 10 10 CCCE CCC1(O)CN(C[C@@H](O)COc2ccc(N)cc2)C1 384048736 IBIANUJXBKSIHR-GFCCVEGCSA-N 266.341 0.465 10 10 CCCE CCOc1cccc(CNC[C@@H](O)[C@@H](C)O)c1O 717298945 VHUHKNFHKAXYPN-MWLCHTKSSA-N 255.314 0.622 10 10 CCCE CNCc1cc(F)c(N2CC[C@H](O)[C@@H](CO)C2)c(F)c1 396835237 XEAXGDKOGQSFCZ-MFKMUULPSA-N 286.322 0.864 10 10 CCCE C[C@@H](CNCc1c(O)cccc1Cl)S(N)(=O)=O 398254641 YQGHWUZPXXNECZ-ZETCQYMHSA-N 278.761 0.812 10 10 CCCE CC[C@H](O)[C@@H](C)NC(=O)c1cnn2c(O)cc(C)nc12 2062369161 RBEBAFPBVPVLDO-SCZZXKLOSA-N 278.312 0.633 10 10 CCCE Cc1cc(O)n2ncc(C(=O)N[C@@H](C)CN(C)C)c2n1 2063049081 RFQHQTFWFBGKHA-VIFPVBQESA-N 277.328 0.423 10 10 CCCE CO[C@@H]1COC[C@H]1N(C)CC(=O)c1ccc(O)c(O)c1 2177283376 MPDLAVDEMOSTDS-QMTHXVAHSA-N 281.308 0.626 10 10 CCCE C[C@H](O)c1ccc(N2C[C@H]3C[C@@H](O)[C@@H](O)[C@H]2C3)cc1O 2173357820 PVWHEEIGGWFBFI-BEBQFXBHSA-N 279.336 0.766 10 10 CCCE CN(C)c1ccc(CNC(=O)[C@@]2(O)CCCNC2)cc1 852855959 RMWGUYCGFGKKQM-OAHLLOKOSA-N 277.368 0.483 10 10 CCCE CCN=c1nc(OC)[nH]c(=NCc2ccc(N)cc2)[nH]1 2173893664 CYZGMHFBRCGTFY-UHFFFAOYSA-N 274.328 0.350 10 10 CCCE C[C@@H](N[C@@H]1CCn2nnnc2C1)c1cc(O)ccc1O 2175911710 HTTMHFBGLHBSFN-RKDXNWHRSA-N 275.312 0.750 10 10 CCCE O=C1CC[C@H](NC(=O)c2cc(O)c(O)c(O)c2)CCN1 2188867481 BFJMHSMNOKUYIV-QMMMGPOBSA-N 280.280 0.202 10 10 CCCE C[C@@H](CNC(=O)c1cc(O)c(O)c(O)c1)c1ncon1 2188911170 AMQRGEKBVSCKTQ-LURJTMIESA-N 279.252 0.720 10 10 CCCE CC[C@H](NC(=O)c1ccc(O)c(O)c1)C(=O)N(C)C 2100234181 ZJKKYQGZOLQYQO-VIFPVBQESA-N 266.297 0.694 10 10 CCCE NCc1ccc2c(c1)CCN2CCN1C(=O)CCC1=O 2189920820 BTTYZQXJFWPVBJ-UHFFFAOYSA-N 273.336 0.657 10 10 CCCE C[C@H](O)c1ccc(N2[C@H]3CC[C@H]2[C@H](O)[C@H](O)C3)cc1O 2190461888 VHQPKWNFKYHMLB-GRPXYMBPSA-N 279.336 0.908 10 10 CCCE COc1cccc(CN2C[C@@H](N)[C@H](OC)C2)c1O 2058774247 CQZAERXILGGGLI-ZYHUDNBSSA-N 252.314 0.559 10 10 CCCE C[C@H](CC(=O)O)NC(=O)c1cc(O)c(O)c(O)c1 2068579857 ZPVDRATYBOWZMJ-RXMQYKEDSA-N 255.226 0.396 10 10 CCCE COc1ccc(N2CCNC[C@@H]2C(=O)N(C)C)c(N)c1 2191546563 UAALGPFGTRCJRP-CYBMUJFWSA-N 278.356 0.144 10 10 CCCE Nc1ccc(CN2CCC[C@@]2(CO)C(=O)O)cc1 2076949446 UUADXRSMCINXIX-CYBMUJFWSA-N 250.298 0.680 10 10 CCCE COc1cc(N)c(N2CC(CO)(OC)C2)cc1OC 2101059085 JJBUOWVLLIJHLO-UHFFFAOYSA-N 268.313 0.484 10 10 CCCE CC1(C)OC[C@H](NC(=O)CCc2ccc(N)cc2)[C@@H]1O 2199484017 YGNAYDUOHGLJSK-JSGCOSHPSA-N 278.352 0.856 10 10 CCCE CN(C)c1ccc(CN2C[C@H](N)[C@H]3COC[C@H]32)cc1 2102142867 WMCGDIKNPAYNKS-QLFBSQMISA-N 261.369 0.911 10 10 CCCE CN(Cc1ccccc1O)C(=O)NCS(C)(=O)=O 2082897006 BCEGFDZILFFQSR-UHFFFAOYSA-N 272.326 0.536 10 10 CCCE CCNCc1nnnn1Cc1ccc(N(C)C)cc1 2104187633 TXVYFBWEFUBGCM-UHFFFAOYSA-N 260.345 0.897 10 10 CCCE NC[C@@H](CNC(=O)c1cc(O)nc(O)c1)C(F)(F)F 2105245163 NYJHMLKWVLYXDJ-LURJTMIESA-N 279.218 0.360 10 10 CCCE COc1ccc(N2CCN[C@H](CCO)C2)cc1OC 2106385052 BJOIBXWUJJMQFF-LLVKDONJSA-N 266.341 0.864 10 10 CCCE CNC1(C(N)=O)CN([C@H](C)c2cc(F)ccc2O)C1 2109490213 APRAXJOJCQYUQH-MRVPVSSYSA-N 267.304 0.351 10 10 CCCE Nc1ccc(OCC(=O)NCC[C@H](O)C2CC2)cc1 2090455124 WLVFYVXBPHTMRK-ZDUSSCGKSA-N 264.325 0.925 10 10 CCCE O=C(NCC[C@H]1COC[C@@H]1O)c1cccc(O)c1O 2111287333 HVHSPHGNLULHQO-KWQFWETISA-N 267.281 0.225 10 10 CCCE CN(CCS(=O)(=O)N(C)C)Cc1cc(F)ccc1O 2094681873 DCONBJBZBVRAGX-UHFFFAOYSA-N 290.360 0.855 10 10 CCCE COC[C@@H](C)NC(=O)COCCc1ccc(N)cc1 2119733952 PULDHVXIZQNTKQ-LLVKDONJSA-N 266.341 0.979 10 10 CCCE COc1cc(N2CC[C@@H]3CS(=O)(=O)C[C@H]32)ccc1CO 2204560184 ZFNDHPPUQDYWEZ-DGCLKSJQSA-N 297.376 0.811 10 10 CCCE Cc1cccc(CNC(=O)[C@H](CN)[C@@H]2CCOC2)c1O 2204620866 CQOIDZQNVSLYMD-CHWSQXEVSA-N 278.352 0.928 10 10 CCCE CNCc1cc(OC)ccc1N1CC(=O)N[C@H](C)C1 2227682495 HYGCBUCWCJRPQJ-SNVBAGLBSA-N 263.341 0.739 10 10 CCCE CO[C@@H]1CCN[C@@H](C)[C@H]1NC(=O)c1cccc(O)c1O 2238452463 QABRCRUAKIUPGK-XXILOJSOSA-N 280.324 0.593 10 10 CCCE CN(C)c1ccc(OC[C@@H](N)c2ncnn2C)cc1 2229373661 NKFVGGNKTAVNFM-GFCCVEGCSA-N 261.329 0.960 10 10 CCCE CSc1ncc(CNC(=O)[C@@H](N)[C@H]2CCOC2)s1 2256939589 GSISYMXWJXAZSZ-CBAPKCEASA-N 287.410 0.845 10 10 CCCE Nc1ccc(CN2CCOCC[C@H]2C(=O)O)cc1 2257537983 VCFPVKWWFZROMB-LBPRGKRZSA-N 250.298 0.944 10 10 CCCE Cc1cc([C@H](C)O)ccc1N1CC[C@H]1[C@H](O)CO 2258345462 ZAKIPWDJMJOHQE-LEWSCRJBSA-N 251.326 0.980 10 10 CCCE CN(Cc1ccccc1O)c1cnc(C(N)=O)nc1 2270553204 XXNAMWDKHOLRMK-UHFFFAOYSA-N 258.281 0.918 10 10 CCCE NC[C@@]12C[C@@H]1CN(c1cc3c(cc1N)OCCO3)C2 2272656046 VJNFAFYSXODMHU-YMTOWFKASA-N 261.325 0.825 10 10 CCCE COc1ccc(N2CC(O)(CO)C2)c(OC)c1C 2263531614 RBWYPYQFLQGGAK-UHFFFAOYSA-N 253.298 0.556 10 10 CCCE COC[C@@H]1[C@H](O)[C@H](O)CN1c1ccc(OCF)cc1 2278511840 XINGTMUYRDEMRA-UPJWGTAASA-N 271.288 0.549 10 10 CCCE COc1n[nH]cc1CNCc1ccc(O)c(O)c1O 2268585763 JJFBGNRIPNDVMR-UHFFFAOYSA-N 265.269 0.825 10 10 CCCE Nc1ccc(CC(=O)N2CCC[C@@H]3CNC(=O)[C@H]32)cc1 2279215617 INDBHEHHUANZQW-RISCZKNCSA-N 273.336 0.548 10 10 CCCE CC(C)n1ncnc1[C@@](C)(NCCN=[N+]=[N-])C(N)=O 2340530772 RYWSJTGJXKCYDZ-JTQLQIEISA-N 266.309 0.459 10 10 CCCE CN(C[C@H]1CCO1)c1ccc2c(c1)N(C)C(=O)[C@@H]2O 2341213760 VDDZKAUMONCPIN-ZWNOBZJWSA-N 262.309 0.922 10 10 CCCE O=C(N[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)O)c1cc(O)nc(O)c1 112816607 XBOVNCPPKQAVFL-ZWRCQFPCSA-N 292.291 0.722 10 10 CCCE Nc1ccc(NC(=O)N2[C@H]3CC[C@@H]2C[C@H](O)[C@@H]3O)cc1 2357052641 LYXSDMSGVFEQQQ-MROQNXINSA-N 277.324 0.759 10 10 CCCE CN(C)[C@H]1CCN(C(=O)c2cccc(O)c2O)C1 126402680 ONRJQXPCJWMEMW-VIFPVBQESA-N 250.298 0.874 10 10 CCCE c1cc(N2CCNCC2)ccc1OCCN1CCOCC1 35650809 QBEOKVRUKVSTGI-UHFFFAOYSA-N 291.395 0.807 10 10 CCCE C[C@H]1C[C@@H](CN)CN1C(=O)c1ccc(O)c(O)c1 235660193 ATAZBELHIMVNJU-IUCAKERBSA-N 250.298 0.907 10 10 CCCE O=C(Nc1ccc(O)cc1C(=O)O)c1c[nH]c(=O)[nH]1 48847071 YTWUZBSVZBJJGS-UHFFFAOYSA-N 263.209 0.359 10 10 CCCE N[C@H](CO)c1cc(Br)cc(C(=O)O)c1O 95717902 XBXXOTIIJYVBAH-SSDOTTSWSA-N 276.086 0.845 10 10 CCCE CC(C)[C@@H](NC(=O)Nc1ccc(N)cc1)C(N)=O 231051883 AROZXMLGXSTZPI-SNVBAGLBSA-N 250.302 0.900 10 10 CCCE COc1ccc(CN2C[C@@H]3OCCN(C)[C@H]3C2)c(O)c1 93642386 NEFABYXCPHXGNS-ZFWWWQNUSA-N 278.352 0.916 10 10 CCCE CN1CCc2cc([C@H](NN)[C@@H]3CCCS3(=O)=O)ccc21 2163158645 RCDNWJBPGOVBRH-KBPBESRZSA-N 295.408 0.761 10 10 CCCE CC1(C)CO[C@H](CN)CN1C(=O)c1ccc(O)c(O)c1 2167539992 MIJNAMQKAYVTFH-SNVBAGLBSA-N 280.324 0.676 10 10 CCCE CN1CC[C@H](N(C)c2ccc3c(c2)NC(=O)[C@H]3N)C1=O 723194182 BHEXEXBGAVHOJP-RYUDHWBXSA-N 274.324 0.305 10 10 CCCE O=C1Nc2cc(N3C[C@@H]4C[C@H](C3)O4)c(F)cc2[C@H]1O 1899715756 HKHXHADGWXMWKC-KEHGIVTQSA-N 264.256 0.789 10 10 CCCE CN(C(=O)CN1C[C@@H]2C[C@H](C1)O2)c1ccc(N)cc1 1899764002 RILJTYKTTKOFEL-BETUJISGSA-N 261.325 0.705 10 10 CCCE Nc1ccc(NC(=O)C(=O)N2C[C@@H]3[C@H](C2)C3(F)F)cc1 846324508 CCBIOFGBTGUOKQ-AOOOYVTPSA-N 281.262 0.931 10 10 CCCE Nc1ccc(NC(=O)C(=O)N[C@@H]2CO[C@@H](C3CC3)C2)cc1 861529920 PJFDDTKIZRJYBB-QWHCGFSZSA-N 289.335 0.891 10 10 CCCE O=C1NN(c2ccccc2)C(=O)/C1=C/c1cncnc1 781112339 WRPNDVIWOKTIEX-WUXMJOGZSA-N 266.260 0.938 10 10 CCCE COc1c([N+](=O)[O-])ccc(CN2C[C@@H]3C[C@]3(O)C2)c1O 895652178 GAPLVPBLVCNWFI-ZANVPECISA-N 280.280 0.876 10 10 CCCE OCCOCC1(O)CCN(Cc2cc(F)ccc2O)CC1 895829979 PUFOWTNFFXICTJ-UHFFFAOYSA-N 299.342 0.867 10 10 CCCE CN(C)CCNC(=O)[C@H](N)c1cccc(F)c1O 83409770 UTFAIOHIUAGMES-SNVBAGLBSA-N 255.293 0.209 10 10 CCCE CCOc1cccc(CNC[C@H](O)C(=O)OC)c1O 83513215 DMOZJZYYAXPUHD-JTQLQIEISA-N 269.297 0.414 10 10 CCCE CN(CCO)CCN(C)C(=O)CCc1ccc(N)cc1 701086518 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1913514042 JIRMQHSXFPVLCU-UHFFFAOYSA-N 274.342 0.621 10 10 CCCE CC(C)N1C[C@H](C(=O)N2CC(N=[N+]=[N-])C2)CC1=O 1912180479 BITPGTMIPKOASF-MRVPVSSYSA-N 251.290 0.764 10 10 CCCE Cc1nn(C)c(C)c1NC(=O)CN1CC(N=[N+]=[N-])C1 1912208373 ROKSTMVVIQYGBA-UHFFFAOYSA-N 263.305 0.970 10 10 CCCE C[C@@H]1OCC[C@@]1(O)CNC(=O)CCc1ccc(N)cc1 227097308 KYUVDMHCVRTJOW-XHDPSFHLSA-N 278.352 0.858 10 10 CCCE CCn1cc(CC(=O)NCc2ccc(O)c(O)c2)nn1 1595596257 SJHBYYHCASSCFI-UHFFFAOYSA-N 276.296 0.568 10 10 CCCE O=C(O)[C@H]1CSCN1C(=O)c1cc(O)nc(O)c1 19513690 QOQWDGAZJXPMEM-ZCFIWIBFSA-N 270.266 0.093 10 10 CCCE C[C@@H]1CO[C@H](CO)CN1CC(=O)N(C)c1ccc(N)cc1 167038255 OCEUSFBTKKPYBP-RISCZKNCSA-N 293.367 0.313 10 10 CCCE COCCNCc1ccc(N2CCO[C@H](CO)C2)c(C)c1 167288210 XTYYRQSRTMTMFT-HNNXBMFYSA-N 294.395 0.929 10 10 CCCE CN1c2cc3c(cc2[C@H](O)C[C@H]1C(=O)O)OCCO3 250418619 YNNHDURKRDPLBF-VHSXEESVSA-N 265.265 0.784 10 10 CCCE COCC[S@@](=O)CCNCc1c(O)cccc1OC 2142040616 YVLVTUSQSGMREP-IBGZPJMESA-N 287.381 0.886 10 10 CCCE CC1(C)CN[C@H]1CNS(=O)(=O)Cc1ccc(N)cc1 1876462645 UIQCFCXPLDZNHX-LBPRGKRZSA-N 283.397 0.686 10 10 CCCE C[C@@H]1CCNC[C@H]1NS(=O)(=O)Cc1ccc(N)cc1 1876418425 YGHWUYAFXBMJHH-ZWNOBZJWSA-N 283.397 0.686 10 10 CCCE Nc1ccc(CCC(=O)N[C@]2(CO)CCNC2)cc1 1876665688 PTVRPQLCQJAQSO-CQSZACIVSA-N 263.341 0.042 10 10 CCCE CCN[C@H](c1ccccc1O)[C@@H](O)[C@H]1COCCO1 1889130714 BPLVNLOABYGLEQ-MCIONIFRSA-N 267.325 0.819 10 10 CCCE N[C@H]1C[C@@H](C(=O)NCCc2ccc(O)c(O)c2)C1 1968739239 MYWFLRBDUGRFAU-AOOOYVTPSA-N 250.298 0.494 10 10 CCCE COCCNC(=O)CN(C)C(=O)Nc1ccc(N)cc1 42439313 IYDHBWNFFJMQHQ-UHFFFAOYSA-N 280.328 0.495 10 10 CCCE CN[C@H](c1ccccc1O)[C@@]1(O)CCS(=O)(=O)[C@@H](C)C1 2151673825 SMSDLHDAEPTHTI-ZLKJLUDKSA-N 299.392 0.981 10 10 CCCE C[C@H]1[C@@H](CC(=O)O)CCN1C(=O)c1cc(O)nc(O)c1 2153489026 CQQYFTGYXFZSFV-JGVFFNPUSA-N 280.280 0.818 10 10 CCCE CC(=O)C(=O)C1(O)C[C@@H]2CCC[C@H](C1)S2(=O)=O 2013488240 YWCDUASDZAIVRQ-SLHIUPAKSA-N 260.311 0.005 10 10 CCCE CC[C@H](N)CNS(=O)(=O)Cc1ccc(N)cc1 2016966876 VBMICBASOUANBL-JTQLQIEISA-N 257.359 0.426 10 10 CCCE O=S(=O)(CC1CNC1)NCc1ccccc1O 2018538191 MNUINGZFBFGLGY-UHFFFAOYSA-N 256.327 0.031 10 10 CCCE Nc1ccc(O)c(CNS(=O)(=O)C2CCOCC2)c1 50199139 SVSYEEFKZZISTE-UHFFFAOYSA-N 286.353 0.573 10 10 CCCE Cn1nncc1S(=O)(=O)Nc1ccc(O)cc1F 2027819305 QKNOQZDMHMNTIR-UHFFFAOYSA-N 272.261 0.461 10 10 CCCE Nc1ccc(OCCC(=O)N[C@H]2C[C@@H]2CO)cc1 2039784370 LJLFSTNAHVJLLL-SKDRFNHKSA-N 250.298 0.535 10 10 CCCE CCOC(=O)[C@@H](N)CNCc1ccc2c(c1)CCCO2 2160556126 CZBCZGWDTQELRX-ZDUSSCGKSA-N 278.352 0.992 10 10 CCCE CO[C@@H]1CS(=O)(=O)C[C@@H]1N(C)c1ccc([C@H](C)N)cc1 696862020 VAUGUXZIUIMKBD-LEWSCRJBSA-N 298.408 0.955 10 10 CCCE NC(=O)c1cccc(N)c1N[C@@H]1CCCCNC1=O 391735917 RLEZYMYXTMWXOQ-SNVBAGLBSA-N 262.313 0.448 10 10 CCCE C[C@H](NC(=O)CCc1ccc(N)cc1)c1nc(O)n[nH]1 392357996 SHIKKYKVYJHFPO-QMMMGPOBSA-N 275.312 0.903 10 10 CCCE CN1CCc2cc(CNCc3nc(O)n[nH]3)ccc21 392423228 URIRJUWSJHOUJR-UHFFFAOYSA-N 259.313 0.792 10 10 CCCE Nc1ccc(NC(=O)NC[C@H]2CN3CCN2CC3)cc1 394793347 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NCc1cc(F)c(N2CC[C@H]3C[C@H]2[C@@H](O)[C@H]3O)c(F)c1 2199532687 QXHRMLNBNQWKOF-XBEUXYKBSA-N 284.306 0.744 10 10 CCCE N[C@@H]1CCc2cc(N3CCN(CCO)C(=O)C3)ccc21 2184718756 ITLNVCOEXPGPEN-CQSZACIVSA-N 275.352 0.274 10 10 CCCE OCc1cc(F)c(N2C[C@@H](O)C[C@H](O)C2)c(F)c1 2043185790 ZNBLIVSYXJOEPE-IUCAKERBSA-N 259.252 0.389 10 10 CCCE C[C@@H](N)CN(C)C(=O)c1ccn(-c2ccc(N)cc2)n1 2191679468 ORYWIUTUTCKXDA-SNVBAGLBSA-N 273.340 0.874 10 10 CCCE Nc1ccc(OCC(=O)N2CC(F)(CO)C2)cc1 2052730642 SXSAWNGODZSASX-UHFFFAOYSA-N 254.261 0.190 10 10 CCCE Nc1ccc(CC(=O)N2C[C@@H](F)[C@@H](CO)C2)cc1 2057007693 ADCGJZSCBHSKDR-ZYHUDNBSSA-N 252.289 0.600 10 10 CCCE CCOC(=O)CCCS(=O)(=O)N(C)CCN=[N+]=[N-] 2058383947 XGCKLZKPQNNVJS-UHFFFAOYSA-N 278.334 0.902 10 10 CCCE COCCS(=O)(=O)CCN1CCC[C@H]1CN=[N+]=[N-] 2059058720 MMPPOFBJLJDALP-JTQLQIEISA-N 276.362 0.822 10 10 CCCE CO[C@@H]1CCC[C@@H]([C@@H](NCCN=[N+]=[N-])C(N)=O)C1 2062754148 QXETUPSVFXCIPD-OPRDCNLKSA-N 255.322 0.945 10 10 CCCE O=C(NCc1ccon1)c1cc(O)c(O)c(O)c1 2068577869 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COc1ccc(N2CC[C@@](O)(C(N)=O)C2)c(F)c1F 2226929754 GPLGJFPEILQLBS-LBPRGKRZSA-N 272.251 0.400 10 10 CCCE COc1ccc(N2CCC[C@@](O)(CO)C2)c(CO)c1 2227709039 PBFUZLLRXKRSMS-AWEZNQCLSA-N 267.325 0.511 10 10 CCCE CN[C@H](C)c1ccc(N2CC[C@@](O)(C(N)=O)C2)c(C)c1 2240845681 GGLAEQHGIXTXTN-ABAIWWIYSA-N 277.368 0.702 10 10 CCCE O=C(O)[C@H]1CCOCCN1C(=O)c1ccc(O)c(O)c1 2285321768 CLMIBINBVTWALB-SECBINFHSA-N 281.264 0.414 10 10 CCCE CN=c1nc(C)[nH]c(=NCc2cnc(SC)s2)[nH]1 2257128568 RIWJJOLXYGHWOH-UHFFFAOYSA-N 282.398 0.856 10 10 CCCE O=C(NCCN1CC[C@@H]2C[C@@H]21)c1cc(O)c(O)c(O)c1 2290325293 BCUVLMKMXJOZSL-SCZZXKLOSA-N 278.308 0.627 10 10 CCCE OC[C@@H](O)CN1CCN(c2ccc(OCF)cc2)CC1 2295989420 QRVOCAHZTPEGGQ-ZDUSSCGKSA-N 284.331 0.468 10 10 CCCE CCOC(=O)[C@@]1(NCCN=[N+]=[N-])C[C@@H]2CO[C@H]1C2 2313099528 LWLJHYFAYRRUKH-WCABBAIRSA-N 254.290 0.997 10 10 CCCE CC[C@@H](N)c1ccc(N2CC([C@H](O)CO)C2)cc1 2315165698 GAOOLPZNZMGVRC-ZIAGYGMSSA-N 250.342 0.886 10 10 CCCE Cc1cc(N2C[C@@H]3C[C@H]2[C@H](O)[C@@H]3O)ccc1[C@H](C)N 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CN[C@@H]1C(=O)Nc2cc(N3CC[C@@H](C(N)=O)C3)ccc21 723175704 JCEPRAPQMIBWPQ-PELKAZGASA-N 274.324 0.211 10 10 CCCE CN(Cc1ccc(N(C)C)cc1)C(=O)CC[C@@H](O)CN 2166542245 HJDLOMBOYQWTMO-CQSZACIVSA-N 279.384 0.811 10 10 CCCE COc1cc(N)c(N2CC[C@H](OCCO)C2)cc1OC 2165422524 NRLIMDDHZACCFG-JTQLQIEISA-N 282.340 0.874 10 10 CCCE CN1C[C@@H](CNC(=O)COc2ccc(N)cc2)CC1=O 723576879 RKNDQPYXSHSWJJ-SNVBAGLBSA-N 277.324 0.242 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@@H](O)C(C)(C)O 901053724 QPGGRTORSBQURR-LLVKDONJSA-N 253.298 0.482 10 10 CCCE COc1cc(O)c(CN2CC(C)(C(N)=O)C2)cc1OC 843415496 HOLYYZVSZISCRI-UHFFFAOYSA-N 280.324 0.717 10 10 CCCE CCON(C)C(=O)CNCc1c(O)cccc1OC 846063051 PLUGNKUOUCICDT-UHFFFAOYSA-N 268.313 0.900 10 10 CCCE CON1CC[C@@H](N(C)Cc2ccccc2O)C1=O 929976714 QGYKODQFQASZKB-LLVKDONJSA-N 250.298 0.986 10 10 CCCE CNC[C@@H]1CN(c2ccc3c(c2)OCCO3)CCO1 71596688 JXBBQIHFDUHCBG-GFCCVEGCSA-N 264.325 0.882 10 10 CCCE COc1cc(N2CCOCC2)c(OC)cc1[C@@H](N)CO 72199637 SUCPKMWKCVMAEA-NSHDSACASA-N 282.340 0.533 10 10 CCCE Cc1cccc(CNC(=O)[C@H](N)CC(=O)O)c1O 83391456 QMUDBXBFOGCWQE-SECBINFHSA-N 252.270 0.119 10 10 CCCE CN1[C@H](C(=O)O)CC[C@@H]1C(=O)NCc1ccc(N)cc1 704576843 IJTKLZTVITWFDX-NEPJUHHUSA-N 277.324 0.432 10 10 CCCE c1cc(N2CCNCC2)ccc1OCCn1cnnn1 711834056 DAEAKFUQXDFVQK-UHFFFAOYSA-N 274.328 0.162 10 10 CCCE CN1C(=O)C[C@@H](NCc2ccc(N(C)C)cc2)C1=O 88774980 GURVBWORLJCROP-GFCCVEGCSA-N 261.325 0.600 10 10 CCCE C[C@H](N[C@H]1CCC(=O)N(C)C1=O)c1cc(O)ccc1O 90026413 OEFGSGINXYBTPA-KWQFWETISA-N 278.308 0.896 10 10 CCCE COc1ccc(CNCCCS(C)(=O)=O)c(O)c1 40906819 SSFHSUHIGNAVFW-UHFFFAOYSA-N 273.354 0.925 10 10 CCCE COc1ccc(CN[C@@H]2[C@H]3CS(=O)(=O)C[C@H]32)c(O)c1 2118021260 SCPCXICFQMQPRG-PJXYFTJBSA-N 283.349 0.533 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CC(N[C@@H]2CCOC2)C1 1645426275 PJSBCSCAOQNWNK-LLVKDONJSA-N 292.335 0.230 10 10 CCCE C[C@@H](N)c1ccc(N2CC3(C2)OC[C@H](O)[C@@H]3O)cc1 2127257899 JWJZWGDOQQYNOP-ICCXJUOJSA-N 264.325 0.017 10 10 CCCE Oc1c(F)cccc1CN[C@@]12CC[C@@H](C1)[C@H](O)[C@@H]2O 2120394411 LKMNOUYSMMKEHN-GZBPVQSJSA-N 267.300 0.895 10 10 CCCE OC[C@@H]1C[C@H](NCc2cccc(Cl)c2O)[C@H](O)[C@@H]1O 2121474687 MYXVEOOCLLVBJT-ZDAZMGEQSA-N 287.743 0.238 10 10 CCCE O=C(N[C@H]1CCOC[C@H]1F)c1cc(O)c(O)c(O)c1 2132410933 QXDDVNCRMLNZEW-SFYZADRCSA-N 271.244 0.660 10 10 CCCE N[C@H]1CC[C@@H](CNC(=O)c2cc(O)c(O)c(O)c2)C1 2132402517 ZEQLUMBUZOPMAT-APPZFPTMSA-N 266.297 0.661 10 10 CCCE CN(C(=O)c1cc(O)c(O)c(O)c1)[C@H](CN)C1CC1 2132414523 XWJOEORJNPQVBK-SECBINFHSA-N 266.297 0.613 10 10 CCCE [N-]=[N+]=NC[C@H]1CCN(C(=O)[C@@H]2CSC(=O)N2)C1 1912179751 UDZLNWZHBPGKNQ-RQJHMYQMSA-N 255.303 0.970 10 10 CCCE [N-]=[N+]=N[C@H]1CCCN(CC(=O)N2CCOC2=O)C1 1912185347 ONRNXJKRHAPCDQ-QMMMGPOBSA-N 253.262 0.740 10 10 CCCE CN1[C@@H](CN2CC[C@@H](N=[N+]=[N-])C2)CCS1(=O)=O 1912196627 MGVAYJLDEVYCGD-RKDXNWHRSA-N 259.335 0.405 10 10 CCCE COc1ccc(CNC[C@H]2CN(C)CCN2C)c(O)c1 225315306 CAFRYVXOULQDMI-ZDUSSCGKSA-N 279.384 0.736 10 10 CCCE CN1C(=O)C[C@@H](NCc2ccc3c(c2)CCN3C)C1=O 116072636 VBGHTPOFBGDCPR-GFCCVEGCSA-N 273.336 0.526 10 10 CCCE C[C@@]1(O)CN(C(=O)c2ccc(O)c(O)c2)CC[C@H]1O 2136879036 NASLSPHXKKHPAR-DGCLKSJQSA-N 267.281 0.056 10 10 CCCE CO[C@H](C)C(=O)N(CC(N)=O)Cc1ccc(N)cc1 227927967 OKEBAZMNOJZDTO-SECBINFHSA-N 265.313 0.118 10 10 CCCE COc1ccc(N2CCN(C)C[C@H]2CO)cc1OC 217179545 CMVBRDHXNQGWBL-LBPRGKRZSA-N 266.341 0.817 10 10 CCCE O=C(C1CC1)N1CC(NCc2cccc(O)c2O)C1 1926325488 SAOLSKWENWQYDV-UHFFFAOYSA-N 262.309 0.808 10 10 CCCE COC[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@@H](C)O1 1567731066 HYOGVVDGNYUASV-PWSUYJOCSA-N 295.335 0.903 10 10 CCCE COc1ccc(CNC(=O)Cc2nnc(N)s2)c(O)c1 1639455877 NCNVWLOMQXMWQW-UHFFFAOYSA-N 294.336 0.693 10 10 CCCE O=C([C@H]1CNc2ccccc2N1)N1CCC[C@@H]1CO 229878119 RQRNOJXWCFOKOK-ZWNOBZJWSA-N 261.325 0.876 10 10 CCCE COC[C@H](NC(=O)Cc1ccc(O)c(O)c1)[C@H]1CCCO1 1635411149 DKNLUMVKAULCTE-SMDDNHRTSA-N 295.335 0.951 10 10 CCCE COc1ccc(N2C[C@H](C)O[C@@H](CO)C2)c(N)c1 229943736 JUXLEWQWSRRWRI-GXSJLCMTSA-N 252.314 0.863 10 10 CCCE C[C@H]1CN(C(=O)c2cccc(O)c2O)C[C@H](CN)O1 230062932 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CN1C(=O)[C@H](N)c2ccc(N3C[C@@H]4C(CO)[C@H]4C3)cc21 2146876817 KHOJNNCLKFYENY-COPLHBTASA-N 273.336 0.337 10 10 CCCE CNC(=O)Cn1cc(NCc2ccccc2O)cn1 37787079 WAERVWIWTWCITP-UHFFFAOYSA-N 260.297 0.947 10 10 CCCE NC[C@@H]1CCO[C@H]1C(=O)NCCc1ccc(O)c(O)c1 2148017050 SZIRJQUWHOGKEP-GXFFZTMASA-N 280.324 0.120 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)[C@H]1[C@H]2CNCC[C@H]21 2148014289 AJCVDTFWARNQBZ-UHIISALHSA-N 276.336 0.612 10 10 CCCE C[C@@H](NC(=O)COc1ccc(N)cc1)c1ncnn1C 2153351129 AXSDRBDBRGUJKF-SECBINFHSA-N 275.312 0.654 10 10 CCCE CN(C)CCN(CCO)C(=O)COc1ccc(N)cc1 2155580743 NIXAIBYCTOGVOD-UHFFFAOYSA-N 281.356 0.030 10 10 CCCE Nc1ccc(CN(C2CC2)[C@@H]2CS(=O)(=O)C[C@H]2O)cc1 2155606149 IMFDBOUIYAOMIM-ZIAGYGMSSA-N 296.392 0.391 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC=CCN2)cc1 2016998969 SYWZJXJGORJROS-UHFFFAOYSA-N 253.327 0.475 10 10 CCCE COc1cc(N(C)CC[S@@](C)=O)ccc1CN 2024763560 VUONQYOFASBNTN-QGZVFWFLSA-N 256.371 0.969 10 10 CCCE N[C@H](CCNC(=O)c1ccc(O)c(O)c1)C1CC1 2030001946 YQAXAJJXFLSKOF-SNVBAGLBSA-N 250.298 0.955 10 10 CCCE COCCNC(=O)CN(C)c1ccc(CN)cc1Cl 62793070 HFDBGDPLNUIQER-UHFFFAOYSA-N 285.775 0.998 10 10 CCCE O=C(O)[C@@H]1CO[C@H]2CN(Cc3ccc(O)cc3O)C[C@H]12 2160859372 QQMADPQUQDTBTP-WZRBSPASSA-N 279.292 0.629 10 10 CCCE NCc1ccc(N2CCN3C[C@H](O)C[C@H]3C2)c(F)c1F 405290512 XQVXULBZWSDTBG-WDEREUQCSA-N 283.322 0.679 10 10 CCCE CO[C@H]1COCC[C@@H]1NC(=O)Cc1ccc(N)cc1 312048628 WFRNQAGWWIHZPF-STQMWFEESA-N 264.325 0.731 10 10 CCCE NCc1ccc(N2CCC[C@@](O)(CO)C2)c(F)c1 313657152 MAFDNKBAUNKNBE-ZDUSSCGKSA-N 254.305 0.608 10 10 CCCE C[C@H](N[C@H]1COCC[C@H]1O)c1ccc(O)cc1O 710889634 MOTHOIDQQOTLEE-KPXOXKRLSA-N 253.298 0.898 10 10 CCCE CC[C@@H](CO)N(C)C[C@H](O)COc1ccc(N)cc1 379053572 LJRMNHYHKTZJPR-STQMWFEESA-N 268.357 0.711 10 10 CCCE CN1C[C@H](NC(=O)[C@H]2CNc3ccccc3N2)CC1=O 380700051 NPXLKLYQLRZMGP-BXKDBHETSA-N 274.324 0.240 10 10 CCCE C[C@@H]1CNCCCN1C(=O)c1cccc(O)c1O 382755873 OLFGGLJYHJNUMT-SECBINFHSA-N 250.298 0.922 10 10 CCCE C[C@@H]1[C@@H](CO)CCN1C(=O)COc1ccc(N)cc1 385865977 IHJKVYCDYNBUIO-GHMZBOCLSA-N 264.325 0.877 10 10 CCCE CC(C)(C)n1nnc(C(=O)[C@@H]2CCCC(=O)C2=O)n1 697242688 IHNXJSVTSVBZHP-SSDOTTSWSA-N 264.285 0.549 10 10 CCCE Cc1nncn1CCNC(=O)c1cccc(O)c1O 391104957 WKMQSRZCNQKTMV-UHFFFAOYSA-N 262.269 0.428 10 10 CCCE CNC(=O)[C@H]1CCN(Cc2ccc(OC)cc2O)C1 398478275 UUYVXEIIRZTODQ-NSHDSACASA-N 264.325 0.969 10 10 CCCE C[C@@H](N)c1ccc(N2CC(N3CCOCC3)C2)cc1O 2169500908 SAPLZBGJAADALD-LLVKDONJSA-N 277.368 0.933 10 10 CCCE Nc1ccc(OC[C@@H](O)CN2C[C@H]3C[C@H]2C[C@@H]3O)cc1 2172089122 DDSXCNMTIUKLCP-HTUGSXCWSA-N 278.352 0.464 10 10 CCCE C[C@@H](N)c1cc(F)c(N2CC(OCC(N)=O)C2)c(F)c1 2194694082 HNKQWYMAQWXNIB-SSDOTTSWSA-N 285.294 0.675 10 10 CCCE Nc1ccc(CC(=O)N2CC[C@H]3C[C@H]2[C@@H](O)[C@H]3O)cc1 2199533253 VAFXKRPJXHLHAB-HQRZJTNHSA-N 276.336 0.154 10 10 CCCE Cc1cc(Cn2ccc3c(c2=O)CNCC3)nnc1C 2185760233 GKRZQMWTKMCKHG-UHFFFAOYSA-N 270.336 0.949 10 10 CCCE Nc1ccc(CC(=O)NC[C@@H]2C[C@@H]3OCC[C@@H]3N2)cc1 2191755483 FKMKPFCPDAWFHW-IHRRRGAJSA-N 275.352 0.447 10 10 CCCE 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OCc1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CF)c(F)c1 2084799634 VKJXTJRUBYAQIM-SDDRHHMPSA-N 259.252 0.198 10 10 CCCE COc1cccc(CNC[C@@H](O)c2cnc[nH]2)c1O 2088647388 TTXHXKUNWWOXKP-LLVKDONJSA-N 263.297 0.947 10 10 CCCE C[C@H](N)c1ccc(N2CC[C@@H](OCCO)C2)cc1O 2109129574 BQIZYBFBRNTXNV-CMPLNLGQSA-N 266.341 1.000 10 10 CCCE CN1CCCN(C)[C@H]([C@H](NN)c2ccccc2O)C1 2090037265 LCQZKJKEYOGYGA-GXTWGEPZSA-N 264.373 0.533 10 10 CCCE CCN(c1ccc(OC)cc1N)[C@@H]1CC(=O)NC1=O 2114735631 RLLKLIVHKZNGKJ-LLVKDONJSA-N 263.297 0.519 10 10 CCCE Cc1cccc(CNC(=O)[C@H](N)c2cn(C)nn2)c1O 2204606141 QTRBTAOZWLIILP-LLVKDONJSA-N 275.312 0.145 10 10 CCCE Cn1cc(S(=O)(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])nn1 2218746200 PKIMZPJMQNSFOB-RNFRBKRXSA-N 271.306 0.325 10 10 CCCE CP(C)(=O)c1ccc(Nc2nnc(=N)[nH]n2)cc1 2219012028 BKMCYYZLXFOVPO-UHFFFAOYSA-N 264.229 0.671 10 10 CCCE N=c1nnc(OCCOCCOCc2ccccc2)n[nH]1 2209555253 AWHUUHDEYXVEQU-UHFFFAOYSA-N 291.311 0.291 10 10 CCCE NCc1ccc(N2C[C@@H]3CCO[C@]3(CO)C2)cc1F 2231370074 GDDPEGDMLQALKK-FZMZJTMJSA-N 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10 10 CCCE Nc1ccc(NC(=S)N(CCO)CCO)cc1 244403018 YLLPRNMGXWYHJP-UHFFFAOYSA-N 255.343 0.252 10 10 CCCE CCS(=O)(=O)NC1CN(c2ccc(CNC)cc2C)C1 2165582804 GUPMIWUDNFCDDZ-UHFFFAOYSA-N 297.424 0.842 10 10 CCCE COc1cc(C(=O)OCC(=O)C(C)=O)ccc1[N+](=O)[O-] 808512734 SEGYBTUYSMTYHA-UHFFFAOYSA-N 281.220 0.918 10 10 CCCE CN[C@@H](C)c1ccc(N2CCOC[C@H]2C(N)=O)cc1O 723201190 KYFYOFJLQXRMGM-CABZTGNLSA-N 279.340 0.363 10 10 CCCE NC(=O)NCC(=O)NCCCSc1nccs1 736680187 BMIZYHBYIJIOJQ-UHFFFAOYSA-N 274.371 0.410 10 10 CCCE CCOC(=O)[C@]1(c2ccc(O)c(CN(C)C)c2)C[C@@H]1N 1952905585 GFABBNQPZLDOIR-ZFWWWQNUSA-N 278.352 0.986 10 10 CCCE C[C@@]1(C(=O)NCc2ccc(O)cc2O)CCC(=O)N1 910957332 RKILEGJPDKRJTI-ZDUSSCGKSA-N 264.281 0.383 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3CC4(COC4)C3)ccc21 697097486 JBUQOOFXWRQJTQ-LBPRGKRZSA-N 259.309 0.736 10 10 CCCE O=C(c1cc(O)cs1)N1CC(n2ccnn2)C1 780752495 OAMIKSQEJJGPAQ-UHFFFAOYSA-N 250.283 0.742 10 10 CCCE CS(=O)(=O)NC1CN(c2ccc(CO)cc2F)C1 703004002 UIRNLEJJIDONAM-UHFFFAOYSA-N 274.317 0.056 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N(C)C[C@@H](C)CO)ccc21 708439248 VXDMYJDVJHBUAB-RNCFNFMXSA-N 263.341 0.964 10 10 CCCE CN[C@H](CNC(=O)c1ccc(O)c(O)c1)C1CC1 716788645 PHNNJZOXMZVRMY-SNVBAGLBSA-N 250.298 0.826 10 10 CCCE [N-]=[N+]=NCCCN[C@]1(C(=O)O)CCCS(=O)(=O)CC1 694769640 XOXJECNYXISELX-SNVBAGLBSA-N 290.345 0.699 10 10 CCCE C[C@@H](O)[C@@H]1CN(CCOc2ccc(N)cc2)CCO1 2117530559 GKXJIDJCIGHOOK-RISCZKNCSA-N 266.341 0.729 10 10 CCCE C[C@@H]1C[C@H](N)CN1C(=O)C(=O)N1Cc2cccc(O)c2C1 1329953282 SJURFINGTNECRR-KOLCDFICSA-N 289.335 0.183 10 10 CCCE Nc1ccc(OCC(=O)N2CC=CC[C@@H]2CO)cc1 2119812999 RFKOIHWADNKWOB-GFCCVEGCSA-N 262.309 0.797 10 10 CCCE CN(C)[C@@H]1CN(c2ccc3c(c2)CC[C@H]3O)C[C@H]1O 2128320226 BMWARZSJKRGZSF-RBSFLKMASA-N 262.353 0.777 10 10 CCCE CCN(C(=O)C1=C[C@H](O)[C@H](N)C1)c1cccc(O)c1 2131477059 NRZSACMQBRWULJ-OLZOCXBDSA-N 262.309 0.763 10 10 CCCE CO[C@H]1C[C@H]1CN(CC(N)=O)Cc1ccc(N)cc1 2131633184 DJDQMYLTZGCMHK-AAEUAGOBSA-N 263.341 0.591 10 10 CCCE CNC(=O)CCN(C)c1ccc(CO)c([N+](=O)[O-])c1 2132057456 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2170407918 NNLLGFQTIOWMJR-LBPRGKRZSA-N 271.280 0.284 10 10 CCCE C[C@@H]1C[C@H](O)CCN1c1ccc2c(c1)NC(=O)[C@@H]2N 705987400 MLYJVLJPTYXMBC-ZDSQKVDBSA-N 261.325 0.988 10 10 CCCE CN(C)C[C@@H]1CN(CCN=[N+]=[N-])C[C@H]1CN(C)C 705965860 FUPUCLMVSFJLLK-VXGBXAGGSA-N 254.382 0.968 10 10 CCCE CN1CCN(Cc2ccccc2O)C[C@H]1C(=O)O 686103656 CXCOEMIHGRVTMQ-NSHDSACASA-N 250.298 0.593 10 10 CCCE C[C@@H](N[C@H]1CCn2nnnc2C1)c1c(O)cccc1O 2175912486 RLMABAFJMMPOIN-BDAKNGLRSA-N 275.312 0.750 10 10 CCCE CS(=O)(=O)C1CCN(Cc2cc(N)ccc2O)CC1 381784733 YXDBXORAENAFKV-UHFFFAOYSA-N 284.381 0.983 10 10 CCCE NC(=O)C1CC(NC(=O)c2ccc(O)c(O)c2)C1 716674904 GIKRBNYYXPIANA-UHFFFAOYSA-N 250.254 0.092 10 10 CCCE CN[C@@H](C)c1ccc(N2C[C@H]3C(=O)NC(=O)[C@H]3C2)cc1 386898249 ZWQSRRNDBOBLSE-TVYUQYBPSA-N 273.336 0.676 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N3C[C@H]4C[C@H]3CO4)cc21 387326247 SDQXIYATHVFIPJ-CWSCBRNRSA-N 259.309 0.640 10 10 CCCE CCN[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)C1 721632728 QLXSPKPOCVZKAT-VIFPVBQESA-N 251.286 0.317 10 10 CCCE 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UXBUKYXKBWPSNS-BVRIQOCBSA-N 299.352 0.468 10 10 CCCE O=[N+]([O-])c1cc(N2CCn3cnnc3C2)ccc1CO 2188572051 MITQRMDCGXSAHM-UHFFFAOYSA-N 275.268 0.699 10 10 CCCE CCOC[C@H](NC(=O)c1cc(O)c(O)c(O)c1)C(=O)O 2188868542 SRZWUNVKAXPROO-ZETCQYMHSA-N 285.252 0.023 10 10 CCCE N[C@@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1(F)F 2188923573 MQOYPKRHQUALNW-SECBINFHSA-N 288.250 0.612 10 10 CCCE C[C@@H](O)c1ccc(N2CC3(C2)OC[C@H](O)[C@H]3O)cc1Cl 2183638422 GMIRUYQSWPILDZ-OXHMUOHRSA-N 299.754 0.704 10 10 CCCE C[C@@H](N)c1cnc(Sc2nc(O)n(C)c(=O)n2)s1 2041816127 ILSDZHAPDIDOEV-SCSAIBSYSA-N 285.354 0.508 10 10 CCCE CCN(c1ccc2c(c1)CC[C@H]2O)[C@@H]1CC(=O)NC1=O 2184732264 RZVJNBVMMPYSAC-CHWSQXEVSA-N 274.320 0.908 10 10 CCCE CCS(=O)(=O)NC1CN(c2ccc3c(c2)CC[C@H]3N)C1 2184728519 YNINTEUJOZUOJP-CQSZACIVSA-N 295.408 0.761 10 10 CCCE CN(Cc1ccc(O)cc1O)C1(C(=O)O)COC1 2052923232 HPSXVGZACAZFSC-UHFFFAOYSA-N 253.254 0.383 10 10 CCCE C[C@@H](CS(=O)(=O)NCc1ccc(N)cc1)C(=O)O 2063570155 WTIOYDWSYMKUAK-QMMMGPOBSA-N 272.326 0.409 10 10 CCCE C[C@H](NC(=O)c1cc(O)c(O)c(O)c1)[C@H](O)C(F)(F)F 2197332829 VXIFNUHSBUTLDL-IGJIYHIXSA-N 295.213 0.845 10 10 CCCE C[C@@H](O)c1ccc(N2CCC2(CO)CO)cc1O 2073913402 BETROANNWIWFLV-SECBINFHSA-N 253.298 0.379 10 10 CCCE C[C@H](NC(=O)c1ccc(O)c(O)c1)[C@@H]1COCCO1 2103742384 MZRXBIJEQZREKX-UFBFGSQYSA-N 267.281 0.632 10 10 CCCE CO[C@H](CCN)C(=O)NCc1cccc(C)c1O 2084056518 JEYNJYULQFVFIB-LLVKDONJSA-N 252.314 0.681 10 10 CCCE N=c1[nH]cc(CNC(=O)Cc2ccc(O)c(O)c2)s1 2089083188 VRSOZIXGQSACFS-UHFFFAOYSA-N 279.321 0.826 10 10 CCCE CO[C@H](C)CCN(CC(N)=O)Cc1ccc(N)cc1 2109245062 KNGDLRXPSPFMKQ-LLVKDONJSA-N 265.357 0.981 10 10 CCCE O=C(N[C@H]1CNCC12CCC2)c1cccc(O)c1O 2089117032 QVQUIUVFKVCYMR-NSHDSACASA-N 262.309 0.970 10 10 CCCE Cc1cc(CO)ccc1N1CCOC[C@H]1[C@@H](O)CO 2090137944 FFFJBYOVHGXFNU-KBPBESRZSA-N 267.325 0.046 10 10 CCCE O=C(N[C@@H]1C[C@H](CO)[C@H]2C[C@@H]21)c1cccc(O)c1O 2110611520 ILYDWVQMZGIGBG-CZULRBLNSA-N 263.293 0.845 10 10 CCCE CO[C@@H]1CNCC[C@H]1NC(=O)c1cccc(O)c1O 2090584473 SGBSXAAGEZFOJQ-MWLCHTKSSA-N 266.297 0.205 10 10 CCCE Cn1ncc2c1CN(C(=O)c1ccc(O)c(O)c1)C2 2112189688 KGUCZZUIIGFVKG-UHFFFAOYSA-N 259.265 0.987 10 10 CCCE Cc1c([C@@H](NN)c2ccc(N(C)C)cc2)nnn1C 2094239150 YJEMOZGSWNFQGM-ZDUSSCGKSA-N 260.345 0.742 10 10 CCCE CCc1cccc(CN(C)[C@H]2CC(=O)NC2=O)c1O 2114732322 LSLYAJAJCBAXME-NSHDSACASA-N 262.309 0.802 10 10 CCCE COc1cc(N2CC[C@@H](NS(C)(=O)=O)C2)ccc1CN 2204541109 HYBKQRHFMUNINE-LLVKDONJSA-N 299.396 0.282 10 10 CCCE Cc1cccc(CN=c2ccc3nnc(O)n3[nH]2)c1O 2204609354 IXHCFJSEQKMJEZ-UHFFFAOYSA-N 271.280 0.878 10 10 CCCE Cc1cccc(CNC(=O)[C@@H]2CO[C@@H]3CNC[C@@H]32)c1O 2204612501 YONAPBYXXNZCLM-JHJVBQTASA-N 276.336 0.551 10 10 CCCE CN1CCCc2cc(N(CCO)CCO)ccc21 2219457825 XJHAMHARNJIOKX-UHFFFAOYSA-N 250.342 0.860 10 10 CCCE COc1ccc(N2C[C@H](O)[C@H](O)[C@H](CO)C2)cc1C 2273676772 QJAOYPYVYAQGBE-VHRBIJSZSA-N 267.325 0.154 10 10 CCCE CO[C@H]1[C@H](CO)N(c2ccc(CO)cc2F)C[C@H]1OC 2233350882 DEZDAWBXTYVLLQ-MJBXVCDLSA-N 285.315 0.529 10 10 CCCE CCOc1ccc(N2CCOC[C@H]2[C@@H](O)CO)cc1 2226749972 PARAYLSLKSVSMH-KBPBESRZSA-N 267.325 0.644 10 10 CCCE Nc1ccc(O)c(CN2C[C@H]3C[C@H](O)[C@H](O)C[C@H]3C2)c1 2236973216 MPAXFOMVJPDISZ-FHYCKABGSA-N 278.352 0.538 10 10 CCCE CCNCc1cc(OC)ccc1N1CC(C(N)=O)C1 2227683739 YPUSFFGLTGSUKP-UHFFFAOYSA-N 263.341 0.726 10 10 CCCE NC1CC(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)C1 2227904102 IUEUEEWPDSQAJM-UHFFFAOYSA-N 287.297 0.532 10 10 CCCE NCc1ccc(N2C[C@@H]3OC[C@H](CO)O[C@@H]3C2)c(Cl)c1 2279776964 YSQPRIOKGOQBJN-LEWSCRJBSA-N 298.770 0.764 10 10 CCCE CN[C@@H](C(N)=O)[C@H](C)N(C)c1ccc(OC)cc1 2253403842 PFGDTZYBMCRALP-JOYOIKCWSA-N 251.330 0.593 10 10 CCCE O=C(O)[C@H]1CC[C@H](O)CN1Cc1ccccc1O 2253558684 VXBHOVILQHLWAA-WDEREUQCSA-N 251.282 0.802 10 10 CCCE C[C@@H](NC1CC(O)(CO)C1)c1c(O)cccc1O 2256981743 IQKADCRJVJVZAU-BGQFSCJGSA-N 253.298 0.634 10 10 CCCE COc1ccc(CN[C@@]2(C)CCNC2=O)c(O)c1 2260449814 WEOMSISUHXKZQK-ZDUSSCGKSA-N 250.298 0.769 10 10 CCCE COc1cc(OC)c(N2C[C@@H](O)C[C@@H]2CO)c(OC)c1 2287131830 WOTBOZUZGGKUCY-ZJUUUORDSA-N 283.324 0.644 10 10 CCCE CC(=O)C(=O)[C@@H](O)c1cncc(P(C)(C)=O)c1 2304496277 FWCVEWOBHFTKBH-NSHDSACASA-N 255.210 0.521 10 10 CCCE CSc1ncc(CN[C@@]2(C(=O)O)CN[C@H]2C)s1 2306092150 GKGCFDMJNPXKJP-WKEGUHRASA-N 273.383 0.770 10 10 CCCE C[C@H](O)c1ccc(N2C[C@H]3CS(=O)(=O)[C@@H]3C2)cc1 2314879913 ITHKXOWFMXISLG-XHVZSJERSA-N 267.350 0.973 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)[C@@H]2C[C@@H]3CC[C@H]2CNC3)C1 2333632515 VGFJKLWTCHGAGS-PJSNJIKXSA-N 264.369 0.888 10 10 CCCE CNCc1ccc(N2C[C@@H]3C[C@H]2[C@H](O)[C@H]3O)c(C)c1 2329327177 WSVUQBRSJTWZLL-MXAVVETBSA-N 262.353 0.645 10 10 CCCE NCc1ccc(N2CC[C@@H]3C[C@H]2[C@H](O)[C@H]3O)c(F)c1 2332598417 DMQXAMSDNKVJGN-HYNSBDGHSA-N 266.316 0.605 10 10 CCCE Nc1ccc(CS(=O)(=O)NC[C@H]2[C@H]3CN[C@@H]2C3)cc1 2333089968 PNMHPJAVSBPWST-KGYLQXTDSA-N 281.381 0.296 10 10 CCCE OCc1ccc(N2C[C@@H](O)[C@@H](CO)C2)cc1C1CC1 2339161929 WDVHUGHIRVMFRZ-IUODEOHRSA-N 263.337 0.846 10 10 CCCE CNCc1ccc(N2C[C@H]3C[C@H](O)[C@@H](O)[C@@H]2C3)c(F)c1 2355334084 JZDFZBMLFNSARZ-KJEVXHAQSA-N 280.343 0.866 10 10 CCCE CC(=O)C(=O)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 1951759280 MWHWIBXEMUSYTL-MRVPVSSYSA-N 293.341 0.082 10 10 CCCE NC(=O)C1CCN(Cc2cc([N+](=O)[O-])ccc2O)CC1 170905370 YFGCBVKPCJIMRY-UHFFFAOYSA-N 279.296 0.998 10 10 CCCE O=C(c1cccc(O)c1O)N1[C@H]2CC[C@@H]1C[C@@H](O)[C@H]2O 2357025188 URBWAEQFWKNZCW-VZSZJBGBSA-N 279.292 0.197 10 10 CCCE CC(C)CNS(=O)(=O)NCCc1ccc(N)cc1 128355923 UYNYZMXIVJKLPL-UHFFFAOYSA-N 271.386 0.891 10 10 CCCE COc1ccc(N2CCN(CC[C@@](C)(N)CO)CC2)cc1 70339700 YUMLUZOATFDCLK-MRXNPFEDSA-N 293.411 0.917 10 10 CCCE CCN(CC)c1ccc([C@@H](N)[C@@H](O)C(=O)O)cc1 1952113140 YZYIOEPUJQMFNT-VXGBXAGGSA-N 252.314 0.978 10 10 CCCE O=C(N[C@H](Cc1ccc(O)c(O)c1)C(=O)O)[C@H]1CCOC1 40929928 OPZOXHHMUMKTEQ-VHSXEESVSA-N 295.291 0.246 10 10 CCCE CCNC(=O)[C@H]1CNCCN1Cc1ccc(OC)cc1O 89088910 BTPOLJRMJWKBPF-CYBMUJFWSA-N 293.367 0.311 10 10 CCCE O=C1N[C@@H](c2cc([N+](=O)[O-])ccc2O)N2CCOC[C@H]12 93885304 CNQWULYIFHQURD-MWLCHTKSSA-N 279.252 0.130 10 10 CCCE C[C@@H](NCCOCC(N)=O)c1ccc(O)cc1O 230051617 GMJKBHHNLZPWQA-MRVPVSSYSA-N 254.286 0.250 10 10 CCCE COCCOc1ccc(CC(=O)OCC(=O)C(C)=O)cc1 808541262 HUSKXBLVAQEKJN-UHFFFAOYSA-N 294.303 0.956 10 10 CCCE CON(C[C@H](O)COc1ccc(N)cc1)[C@@H]1CCOC1 2164737351 KAAYPLAHWVISFS-OLZOCXBDSA-N 282.340 0.661 10 10 CCCE COc1ccc(CNC(=O)CC2(O)CCOCC2)c(O)c1 907927143 WHEOAVQTOGJTJZ-UHFFFAOYSA-N 295.335 0.949 10 10 CCCE CC(=O)C(=O)COC(=O)c1cn(CC(F)F)nc1C 909706745 QSUMETHJGQRPGJ-UHFFFAOYSA-N 274.223 0.772 10 10 CCCE CN1CCN(c2ccc(CN(C)C3CNC3)cc2)CC1 843124445 ARSDNFJJCDNQQR-UHFFFAOYSA-N 274.412 0.842 10 10 CCCE COC(=O)[C@@H](C)N1CCOc2cc(CN)ccc21 74338285 HMVAKUOGENNGRA-SECBINFHSA-N 250.298 0.906 10 10 CCCE Nc1ccc(CNC[C@H]2CCS(=O)(=O)C2)cc1 83399589 JULBNMZTZMUPPZ-LLVKDONJSA-N 254.355 0.793 10 10 CCCE N[C@H](c1nnc(C2CC(=O)C2)o1)c1ccc(O)cc1O 83542764 QIPXEOTUHDWUAN-NSHDSACASA-N 275.264 0.975 10 10 CCCE N[C@H](c1nnc(-c2cc[nH]n2)o1)c1cc(O)ccc1O 83536941 OAROGUZCYHDNOA-JTQLQIEISA-N 273.252 0.919 10 10 CCCE Nc1ccc(OCCC(=O)NC[C@H](O)C2CC2)cc1 71277150 NIZLRJDSAVXUMF-ZDUSSCGKSA-N 264.325 0.925 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N(C)CC3CN(C)C3)ccc21 821989249 WTRBOCVGNQFMJG-AWEZNQCLSA-N 274.368 0.897 10 10 CCCE C[C@@H](NC[C@@H](O)CN(C)C)c1ccc(O)cc1O 717359680 MHWFHUINVCGAPN-MWLCHTKSSA-N 254.330 0.671 10 10 CCCE CCOc1cccc(CNC[C@H](O)CN(C)C)c1O 717403177 HFLXBMNEXOQBQW-LBPRGKRZSA-N 268.357 0.803 10 10 CCCE CO[C@@]1(C)C[C@H]1NC(=O)COc1ccc(N)cc1 694375634 UMCBHMQOSFCHBF-YPMHNXCESA-N 250.298 0.941 10 10 CCCE Nc1ccc(O)c(CNc2cc3n[nH]c(=O)n3cn2)c1 90645020 PJSBCIZLPMTTMM-UHFFFAOYSA-N 272.268 0.318 10 10 CCCE O=C(CSc1n[nH]c(O)n1)NCc1c(O)cccc1O 1156886244 WXCDKRVTQNYSPY-UHFFFAOYSA-N 296.308 0.330 10 10 CCCE CC(=O)N[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 1162409794 BHCWFGZQACZTSQ-OGOUPESXSA-N 290.319 0.848 10 10 CCCE C[C@H](O)[C@H]1CN(C(=O)c2ccc(O)c(O)c2)CCO1 2117533265 WVMRWIANWBFYOC-QPUJVOFHSA-N 267.281 0.320 10 10 CCCE O=C(NCc1c(O)cccc1O)[C@H]1CCCn2ncnc21 1178917009 GIWJYNGQGVHELW-VIFPVBQESA-N 288.307 0.883 10 10 CCCE CN(Cc1nnnn1C)c1ccc2c(c1)CC[C@@H]2N 2128329213 UAKYSNIIZREEEX-LBPRGKRZSA-N 258.329 0.793 10 10 CCCE CN(C)c1ccc(CN2CC[C@@H](N)[C@H](CO)C2)cc1 2122369079 OALMBYCXZRFPOV-DZGCQCFKSA-N 263.385 0.894 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CCNCC12CC2 2132413471 NKYWEHWAZXCSIO-UHFFFAOYSA-N 264.281 0.381 10 10 CCCE COc1ccc(N2CCN[C@H]3COC[C@@H]32)cc1OC 2132559761 NBPSOVHYXLKYKJ-RYUDHWBXSA-N 264.325 0.881 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1C[C@@H]2C[C@H]2[C@@H]1CO 1905845951 CSQJNLMHETXJOH-AXFHLTTASA-N 263.293 0.480 10 10 CCCE CO[C@]1(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)CCOC1 1912168524 VBPATPDABQJNHC-MWLCHTKSSA-N 254.290 0.951 10 10 CCCE [N-]=[N+]=NCCN[C@H](C(N)=O)c1cn(CC2CC2)nn1 1912205862 QKJPRLMLLWIURQ-VIFPVBQESA-N 264.293 0.114 10 10 CCCE CN(CC1(CO)CC1)c1ccc2c(c1)N(C)C(=O)[C@H]2O 1915532633 UUSVAQYEMPBKTG-ZDUSSCGKSA-N 276.336 0.905 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CCC[C@H]2CNC[C@H]21 221511781 UOVFUXJXLMHNBM-WCBMZHEXSA-N 263.297 0.317 10 10 CCCE CN1CCc2c1cc(O)c1c2[C@@](N)(C(=O)O)CCCO1 212299688 WTSCVCHQMMQQFD-CQSZACIVSA-N 278.308 0.796 10 10 CCCE COc1ccc(N(CC(=O)O)CC(=O)O)c([N+](=O)[O-])c1 110970525 OXEPKBKYQGBDBH-UHFFFAOYSA-N 284.224 0.579 10 10 CCCE CNC(=O)c1cncc(/C=C\C(=O)N(C)c2ccnn2C)c1 1463505597 WUEVUSBFJSIMCO-PLNGDYQASA-N 299.334 0.851 10 10 CCCE C[C@@]1(O)CN(C(=O)c2cccc(O)c2O)CC[C@@H]1O 2136879379 PVKFMRANERVDQB-GXFFZTMASA-N 267.281 0.056 10 10 CCCE CN(C)c1ccc(CNCC(=O)N2CCOCC2)cc1 237086956 RKTMTNOLOVYLNU-UHFFFAOYSA-N 277.368 0.701 10 10 CCCE NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCCNC2=O)cc1 1569363971 RKPGAGQBYXZFDR-JTQLQIEISA-N 289.295 0.857 10 10 CCCE NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CNc2ccccc2N1 229876717 ZCADKTUZNVABDB-RYUDHWBXSA-N 274.324 0.369 10 10 CCCE CN1CC[C@H](CNC(=O)[C@@H]2CNc3ccccc3N2)C1 229877840 GWPYIDYQRZVXRH-RISCZKNCSA-N 274.368 0.961 10 10 CCCE COc1cc(N2CCS(=O)(=O)[C@@H](C)C2)ccc1CO 2139683636 YYJVNAIMQRXQSC-JTQLQIEISA-N 285.365 0.811 10 10 CCCE CN1C(=O)NC(=O)/C(=C/c2ccc3c(c2)OCO3)C1=O 5792918 YYINFXRUJFVXOC-YWEYNIOJSA-N 274.232 0.507 10 10 CCCE COC(=O)c1cccc(N)c1N[C@H]1CCC(=O)N(C)C1=O 161207188 VGMTUNFLJYECIF-JTQLQIEISA-N 291.307 0.615 10 10 CCCE NCCOC1CCN(C(=O)c2cccc(O)c2O)CC1 126839339 KCRDIMWCDWESGJ-UHFFFAOYSA-N 280.324 0.678 10 10 CCCE CNC(=O)[C@H]1COCCN1c1c(F)cc(CN)cc1F 128073851 QFJKXBWSXXCYNB-LLVKDONJSA-N 285.294 0.375 10 10 CCCE CC1(CNCc2ccc(N)cc2)CS(=O)(=O)C1 1947364708 WOBIXWROQZRIOU-UHFFFAOYSA-N 254.355 0.793 10 10 CCCE O=C(O)CCC1CN(C(=O)Cc2ccc(O)c(O)c2)C1 2144018702 JHMAPLZXCJBZJM-UHFFFAOYSA-N 279.292 0.964 10 10 CCCE COC[C@@](C)(NC(=O)Cc1ccc(O)c(O)c1)C(=O)O 2144020858 WPEBHMYKVOEHRX-CYBMUJFWSA-N 283.280 0.246 10 10 CCCE CN(C(=O)[C@@H]1CO[C@@H]2COC[C@@H]21)c1ccc(N)cc1 1967071499 DIDLBCVGQUSKBK-JHJVBQTASA-N 262.309 0.893 10 10 CCCE C[C@@H](N)c1ccc(N2CCOC[C@H]2[C@@H](O)CO)c(F)c1 2146330345 XKUWUIFVHNVMFH-IIMNLJJBSA-N 284.331 0.404 10 10 CCCE Nc1ccc(CCNC(=O)COCC(=O)O)cc1 169817399 RUHDGTDADQQVOA-UHFFFAOYSA-N 252.270 0.029 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3C[C@H]4CO[C@@H](C4)C3)cc21 2152299139 XGNQGIBUTYUZQW-NURSFMCSSA-N 273.336 0.888 10 10 CCCE C[C@@H](CC(N)=O)OC(=O)COc1ccc(N)cc1 2033800997 ULIOCVPBROTKMR-QMMMGPOBSA-N 252.270 0.455 10 10 CCCE [N-]=[N+]=NCCS(=O)(=O)CC(=O)N1CCCCC1 300792082 DEEUKDXBHZKWRS-UHFFFAOYSA-N 260.319 0.724 10 10 CCCE O=C(CN1CCN(CCF)CC1)c1ccc(O)c(O)c1 402859782 XHCMKHOGRNXKJH-UHFFFAOYSA-N 282.315 0.868 10 10 CCCE CN(Cc1ncon1)C[C@H](O)COc1ccc(N)cc1 2160438391 KFOFWFZKOTZAGB-NSHDSACASA-N 278.312 0.524 10 10 CCCE Nc1ccc(OCCC(=O)N[C@@H]2CN3CC[C@H]2C3)cc1 2158764457 IUQITOGRVBKREX-SMDDNHRTSA-N 275.352 0.858 10 10 CCCE CCN[C@H](C)c1ccc(N2C[C@H](O)C[C@@H](O)C2)cc1O 2161354217 HKNRXNAOQSAOOD-RAIGVLPGSA-N 280.368 0.995 10 10 CCCE OCc1ccc(N2C[C@H](CO)[C@@H](CO)C2)c(F)c1 704450363 DJCKANMCBFUWMD-GHMZBOCLSA-N 255.289 0.355 10 10 CCCE C[C@@H](CO)CN(C)CC(=O)c1ccc(O)c(O)c1 688327457 AOGIHCQWCDHGEW-SECBINFHSA-N 253.298 0.841 10 10 CCCE CO[C@@]1(C(=O)NCc2ccccc2O)CCNC1 707472084 PMSGVUCKZPLMNT-ZDUSSCGKSA-N 250.298 0.387 10 10 CCCE O=C1Nc2cc(N3[C@H]4CC[C@H]3C(=O)NC4)ccc2[C@@H]1O 2172389085 VOELOAOBYRQKAC-UWJYBYFXSA-N 273.292 0.139 10 10 CCCE O=C(N[C@H]1C[C@@H](C(=O)O)C1)c1ccc(O)c(O)c1 693413161 OEYQNVHOKULELE-OCAPTIKFSA-N 251.238 0.691 10 10 CCCE C[C@H]1[C@H](CO)CCN1CC(=O)N(C)c1ccc(N)cc1 385931913 UXAKLDKRLWJJOY-RYUDHWBXSA-N 277.368 0.934 10 10 CCCE C[C@@]1(CO)C[C@@H](O)CN1CCOc1ccc(N)cc1 698151661 OSYKZBSJVOBARW-OCCSQVGLSA-N 266.341 0.465 10 10 CCCE Cc1nc(CCNC(=O)COc2ccc(N)cc2)n[nH]1 392357573 OYTBDXSHFBAXBO-UHFFFAOYSA-N 275.312 0.433 10 10 CCCE Oc1ccc(CNCC2[C@H]3COC[C@H]23)c(O)c1O 395155132 OEGZPKHVLVOYSW-NXEZZACHSA-N 251.282 0.785 10 10 CCCE C[C@H]1C[C@@H](CO)CN(C(=O)c2cc(O)nc(O)c2)C1 398667477 QSMQDDSFCHFSBV-DTWKUNHWSA-N 266.297 0.583 10 10 CCCE CCOc1nc(=NC)[nH]c(=NCc2ccccc2O)[nH]1 2173729393 RIRWSBZAKPZMAM-UHFFFAOYSA-N 275.312 0.474 10 10 CCCE COC(=O)[C@H]1Cc2nnc(-c3ccc(O)c(O)c3)n2C1 2167746775 FCDCXQSHUUQVLH-QMMMGPOBSA-N 275.264 0.702 10 10 CCCE Cc1ccnnc1CNS(=O)(=O)Cc1ccc(N)cc1 2192717476 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C[C@@H]1C[C@H](CO)CN1c1ccc2c(c1)N(C)C(=O)[C@H]2N 2156547095 FMYFCUKLQKMODB-BFVZDQMLSA-N 275.352 0.870 10 10 CCCE C[C@H](NCC(F)(F)C(N)=O)c1c(O)cccc1O 2029284348 QSMOBKPZWLPMPB-LURJTMIESA-N 260.240 0.869 10 10 CCCE CCc1cccc(CN[C@H]2CN(C)C[C@H]2O)c1O 2029871631 WGRKYHFKUIPZHC-QWHCGFSZSA-N 250.342 0.719 10 10 CCCE Nc1ccc(C[C@H](O)C[C@@H]2CCS(=O)(=O)C2)cc1 2031490618 XCMYTZYWKFPEGQ-AAEUAGOBSA-N 269.366 0.997 10 10 CCCE COC(=O)NC(=O)CN(C)Cc1ccc(N)cc1 2031616083 PESFKBLMKAGZDQ-UHFFFAOYSA-N 251.286 0.583 10 10 CCCE COc1ccc(CNC[C@@H]2COC[C@@H]2O)c(O)c1 2036566564 ALMFPNOWCBARBO-MFKMUULPSA-N 253.298 0.498 10 10 CCCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)Cn2cnnn2)CC1 2038003691 ZIMVJLFKJCGLQE-MRVPVSSYSA-N 250.266 0.365 10 10 CCCE NOCCCc1nc(-c2ccc(O)c(O)c2)no1 2039427036 IGHCNXFOGCXGCB-UHFFFAOYSA-N 251.242 0.971 10 10 CCCE CN(C)c1ccc(CN(C)S(=O)(=O)CCO)cc1 2040031983 HCRSMOPUSXELCO-UHFFFAOYSA-N 272.370 0.507 10 10 CCCE O=C(O)[C@H]1C[C@@H](O)CN(C(=O)c2cccc(O)c2O)C1 401962038 XSHWCNFKODOXDN-JGVFFNPUSA-N 281.264 0.005 10 10 CCCE CC[C@H](C)[C@H](NC(N)=O)C(=O)NCc1ccc(N)cc1 700734903 BTQHHNAYVYFQKF-CABZTGNLSA-N 278.356 0.968 10 10 CCCE CCOC(=O)[C@@H](NCCN=[N+]=[N-])c1cnn(C)n1 311064706 KSRMVQMQURGUNF-QMMMGPOBSA-N 253.266 0.319 10 10 CCCE CN(CCCC(=O)Nc1ccc(N)cc1)C(CO)CO 313684828 PWDALPSMJSOWCS-UHFFFAOYSA-N 281.356 0.273 10 10 CCCE C[C@@H](N)c1ccc(N2CC[C@@]3(C2)NC(=O)NC3=O)cc1 2170618387 PQFRSZYDYFVGMO-OTYXRUKQSA-N 274.324 0.495 10 10 CCCE CN1C(=O)O[C@@H]2CN(C(=O)Cc3ccc(N)cc3)C[C@@H]21 2176930292 IQIWIIZAWOHINO-NWDGAFQWSA-N 275.308 0.473 10 10 CCCE CCCn1cc([C@@H](NCCN=[N+]=[N-])C(=O)O)nn1 714442046 JYCQEYVVPMSRTI-MRVPVSSYSA-N 253.266 0.714 10 10 CCCE [N-]=[N+]=NCCN[C@]1(C(=O)O)CCCN2CCSC[C@@H]21 718485675 IMFQDRVZIQOFOD-MWLCHTKSSA-N 285.373 0.921 10 10 CCCE CN[C@H](C)c1ccc(N2CC(=O)N[C@H](C)C2)cc1O 387307557 PSARDCLSWJQESY-NXEZZACHSA-N 263.341 0.997 10 10 CCCE Cc1cc(O)n2ncc(C(=O)N[C@H]3CCOC3)c2n1 2062857506 ZKJQZDVLQDWRPD-QMMMGPOBSA-N 262.269 0.262 10 10 CCCE Cc1cc(O)n2ncc(C(=O)N3C[C@H](C)[C@H](O)C3)c2n1 2062968139 FILNEHQFABLWFU-OIBJUYFYSA-N 276.296 0.196 10 10 CCCE COc1cccc(CN2CCC(O)(C(=O)O)CC2)c1O 2197435015 SZFGIVGIOFAESF-UHFFFAOYSA-N 281.308 0.812 10 10 CCCE O=[N+]([O-])c1cc(CO)ccc1N1CC=C[C@H](O)C1 2046465317 QPUYPNWWNMVYRW-JTQLQIEISA-N 250.254 0.824 10 10 CCCE COCn1nccc1S(=O)(=O)N(C)CCN=[N+]=[N-] 2053680774 OTPVJQNJOVNFSV-UHFFFAOYSA-N 274.306 0.418 10 10 CCCE CN[C@H](C)c1ccc(N2C[C@H]3C[C@H]2[C@@H](O)[C@@H]3O)cc1 2104423881 LTOUUONLLXERMU-XMHIBHPVSA-N 262.353 0.897 10 10 CCCE COC(C)(C)CNC(=O)c1cc(O)c(O)c(O)c1 2068567788 SRUAUQUBUGNXLV-UHFFFAOYSA-N 255.270 0.958 10 10 CCCE CN(CC(C)(C)N)C(=O)c1cc(O)c(O)c(O)c1 2068619833 CNBPHJFXXPLHNM-UHFFFAOYSA-N 254.286 0.613 10 10 CCCE CNC1(CNS(=O)(=O)Cc2ccc(N)cc2)CC1 2071661582 FVCHWGYWYUIRQL-UHFFFAOYSA-N 269.370 0.440 10 10 CCCE N[C@@H]1CN(c2ccc3c(c2)OCCO3)[C@@H]2COC[C@H]12 2106348389 WNFDQGPHRSCVKV-IJLUTSLNSA-N 262.309 0.620 10 10 CCCE COC(=O)C1(CN(C)c2ccc(N)cc2)CN(C)C1 2106442852 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COc1cc(N2CC[C@H]3CS(=O)(=O)C[C@@H]32)ccc1CN 2204541078 HJDXKOPULRAGLJ-AAEUAGOBSA-N 296.392 0.777 10 10 CCCE COc1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CO)cc1Cl 2219762898 RQPUNRQVWNKPTL-JBLDHEPKSA-N 273.716 0.251 10 10 CCCE C[C@]1(O)C[C@@H]2[C@@H]1CCN2S(=O)(=O)Cc1ccc(N)cc1 2233812403 DZDOKBBORJPTBV-MJBXVCDLSA-N 296.392 0.944 10 10 CCCE COc1cccc(CN[C@@H]2CCC[C@@H](O)[C@H]2O)c1O 2224354038 HEMBKPNFLBCZDK-GYSYKLTISA-N 267.325 0.765 10 10 CCCE Nc1ccc(NC(=O)N2C[C@H]3COC[C@]3(CO)C2)cc1 2234553579 YXLCKLOHOVFXRJ-IINYFYTJSA-N 277.324 0.741 10 10 CCCE CCCOc1ccc(N2CC[C@](O)(CO)[C@@H](O)C2)cc1 2235103309 ICFXQSAHMMJTEN-GJZGRUSLSA-N 281.352 0.770 10 10 CCCE COc1ccc(N2C[C@@H]3COC[C@@]3(CO)C2)c(C=O)c1 2235989365 YKASWGWSSKHMHZ-DOMZBBRYSA-N 277.320 0.953 10 10 CCCE COc1ccc(N2C[C@@H](CO)OC[C@H]2C)c(CN)c1 2227676419 UFGVFEIMTNNQPD-MFKMUULPSA-N 266.341 0.740 10 10 CCCE COc1ccc(N2CCC[C@@H]2[C@@H](O)CO)c(CO)c1 2227710356 FAMSHLJVRLNDNK-KGLIPLIRSA-N 267.325 0.510 10 10 CCCE CNC(=O)[C@@H]1CNCCN1c1ccc(OCF)cc1 2278501188 AZKIJZXOXLVAAR-LBPRGKRZSA-N 267.304 0.517 10 10 CCCE Nc1ccc(CCCN2CC[C@H]2[C@@H](O)CO)cc1 2258323571 JIFMVLRTQMWLNE-KBPBESRZSA-N 250.342 0.629 10 10 CCCE COc1cc(N2CC[C@H](O)[C@H](O)CC2)ccc1CN 2269146688 AARRRAJZAQDWFQ-BETUJISGSA-N 266.341 0.476 10 10 CCCE NCc1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CF)cc1Cl 2311999342 SATOAACNLNTIQN-TUAOUCFPSA-N 274.723 0.679 10 10 CCCE COC(=O)[C@]1(NCCN=[N+]=[N-])CCN[C@H](C)[C@H]1C 2321351192 IHHQVTCAQGPBFH-KKZNHRDASA-N 255.322 0.816 10 10 CCCE CCN(CCN=[N+]=[N-])CC(=O)NC(=O)c1ccc[nH]1 2337778947 DUZJJFHKBUUKNH-UHFFFAOYSA-N 264.289 0.903 10 10 CCCE NCc1ccc(N2C[C@H](C(N)=O)C3(CC3)C2)c(F)c1 2344334840 QLOFCSLQCSGKHF-SNVBAGLBSA-N 263.316 0.986 10 10 CCCE Nc1ccc(OCC(=O)N[C@@]23CCNC[C@H]2C3)cc1 1892528093 MANHSMMWODUAQC-QMTHXVAHSA-N 261.325 0.516 10 10 CCCE COC[C@@H](O)CNC(=O)NCc1ccc(N(C)C)cc1C 118077086 QNWREKRCNJUFPO-AWEZNQCLSA-N 295.383 0.868 10 10 CCCE COc1ccc(N(C)C[C@H]2CNCCS2(=O)=O)cc1 1892789163 UBTRXCRUTKLLFS-CYBMUJFWSA-N 284.381 0.518 10 10 CCCE C[C@H](NC(=O)c1cccc(O)c1O)[C@H]1CCNC1 126100745 FCGABDOHUURWPC-IUCAKERBSA-N 250.298 0.826 10 10 CCCE Cn1ccc2c(-c3cnn(CC(N)=O)c3)ccnc21 77385592 LXWDQZDYNXQADC-UHFFFAOYSA-N 255.281 0.922 10 10 CCCE CCN(CC)c1ccc([C@@H]2CNCC(=O)N2)c(O)c1 1952151053 CMWIEPCSNRZIGD-LBPRGKRZSA-N 263.341 0.999 10 10 CCCE O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1cc(O)nc(O)c1 42189832 NJGFQJKDQOSWPG-SMDDNHRTSA-N 286.287 0.881 10 10 CCCE CC(=O)N[C@H]1CCN(CC(=O)N(C)c2ccc(N)cc2)C1 133843819 LTTDCIVAYUAVKY-ZDUSSCGKSA-N 290.367 0.442 10 10 CCCE C[C@@H](c1ccccc1O)N(CC(=O)O)CC(=O)O 86774050 ZZBZZCFBQRLUFY-QMMMGPOBSA-N 253.254 0.924 10 10 CCCE NCc1ccc(N2CC[C@H](C(N)=O)C2)c(F)c1F 236229624 XMCVVXRTUNLMFS-QMMMGPOBSA-N 255.268 0.735 10 10 CCCE COC[C@@H](CO)NC(=O)/C=C/c1ccc(N(C)C)cc1 234837368 TVHSFGPGIUYDCC-YSKGHYERSA-N 278.352 0.889 10 10 CCCE O=C(O)[C@H](O)c1cc(O)c(O)c(Br)c1 258377185 HWOKFZDYNQZPKI-ZCFIWIBFSA-N 263.043 0.978 10 10 CCCE CC(=O)C(=O)COC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 808501038 BOCHWWFBYPBMFB-NSHDSACASA-N 289.287 0.741 10 10 CCCE CC(=O)NC1CN(c2cc3c(cc2Cl)[C@H](N)C(=O)N3)C1 723183522 UBPGRLFYTYJWIQ-LBPRGKRZSA-N 294.742 0.617 10 10 CCCE CN[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)C[C@H]1C 721625394 SMWIOTGAZFHKCX-PSASIEDQSA-N 265.313 0.563 10 10 CCCE CCON(C)C(=O)CNC(=O)c1c(F)ccc(O)c1O 846661644 KTZLBOMTHMDLMP-UHFFFAOYSA-N 286.259 0.377 10 10 CCCE COCc1nc(C(=O)NCCc2ccc(N)cc2)n(C)n1 857765967 VZYLHRNSJMGLGA-UHFFFAOYSA-N 289.339 0.516 10 10 CCCE COC(=O)[C@@H]1CC[C@H](C(=O)NCc2ccc(O)c(O)c2)O1 860243101 FXZILZJZARIILI-NEPJUHHUSA-N 295.291 0.435 10 10 CCCE CC(=O)C(=O)COC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F 869644865 LSHCRQHYNTWQBR-SFYZADRCSA-N 284.186 0.034 10 10 CCCE CN(CCn1cnnc1)c1ccc2c(c1)NC(=O)[C@H]2N 707675844 BJXRLJDXCWIZFI-LBPRGKRZSA-N 272.312 0.366 10 10 CCCE Nc1ccc(CC(=O)N2CCC[C@H](CO)[C@@H]2CO)cc1 709838312 UVLLLDAMNFOTTF-OCCSQVGLSA-N 278.352 0.403 10 10 CCCE CN1CCN(c2ccc3c(c2)NC(=O)[C@@H]3O)CCC1=O 688912363 RDXOKMPEBNKBHV-CYBMUJFWSA-N 275.308 0.341 10 10 CCCE CN1CC[C@@H](N(C)C(=O)COc2ccc(N)cc2)C1=O 690281864 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NC[C@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1332115915 JKMVGEXIFJKJDF-SNVBAGLBSA-N 289.335 0.042 10 10 CCCE Nc1ccc(NC(=O)CCN2C[C@H]3COC[C@@H]32)cc1 2129812573 WXINAYPAVKIADS-GWCFXTLKSA-N 261.325 0.928 10 10 CCCE O=C(NC[C@]12COC[C@@H]1C2)c1cc(O)c(O)c(O)c1 2132349017 WXSWZZZTWMUSCV-ISVAXAHUSA-N 265.265 0.570 10 10 CCCE C[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)[C@@H]1CCOC1 2132349531 DXGYUCFAGFWREI-HTQZYQBOSA-N 267.281 0.958 10 10 CCCE CN(C(=O)c1cc(O)c(O)c(O)c1)c1nccn1C 2132392417 GRZISYKLITWASV-UHFFFAOYSA-N 263.253 0.814 10 10 CCCE CCN(C)C(=O)CNS(=O)(=O)Cc1ccc(N)cc1 218142676 AYYSJIASISDNDI-UHFFFAOYSA-N 285.369 0.167 10 10 CCCE [N-]=[N+]=N[C@H]1CCN(C(=O)[C@H]2CCCS2(=O)=O)C1 1912145793 LHVPDLIETUFENF-JGVFFNPUSA-N 258.303 0.475 10 10 CCCE CC(C)[C@H](NC(N)=O)C(=O)N(C)CCCN=[N+]=[N-] 1912162931 CGUVXYOJPDRTRI-QMMMGPOBSA-N 256.310 0.838 10 10 CCCE CCN1C[C@H](C(=O)N2CC[C@@H](N=[N+]=[N-])C2)CC1=O 1912171504 LMQHGVCRXYPRMZ-RKDXNWHRSA-N 251.290 0.766 10 10 CCCE C[C@@H]1[C@@H]2OCC[C@@H]2[C@@]1(NCCCN=[N+]=[N-])C(N)=O 1912199257 QBSWOVDZAVJJEY-UYAYMFIHSA-N 253.306 0.555 10 10 CCCE C[C@H]1CN(CCNC(=O)Cc2ccc(O)c(O)c2)CCO1 1292572633 AMANOPJLPKMYKP-NSHDSACASA-N 294.351 0.477 10 10 CCCE C[C@H](CCO)N(C)S(=O)(=O)Cc1ccc(N)cc1 1916988685 WOEKSZINZUAGGR-SNVBAGLBSA-N 272.370 0.801 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@H](CO)c1ccccn1 1298492228 WEQLPVBIPBJAQS-GFCCVEGCSA-N 288.303 0.885 10 10 CCCE Cn1cc(C(N)=O)c(NC(=O)c2cccc(O)c2O)n1 1631864858 JCRLFLDQXQLBAA-UHFFFAOYSA-N 276.252 0.183 10 10 CCCE Cc1cc(N2CCN(C)C[C@H]2CCO)ccc1CO 2138070116 VEOOCBAQCULQAK-OAHLLOKOSA-N 264.369 0.990 10 10 CCCE CN(C)c1n[nH]c(NC(=O)c2c(F)ccc(O)c2O)n1 1648777454 MLSWGRYDXOAICH-UHFFFAOYSA-N 281.247 0.673 10 10 CCCE COCCS(=O)(=O)CCNCc1ccc(O)cc1O 2139801847 UOTAJGDTVDKCLM-UHFFFAOYSA-N 289.353 0.249 10 10 CCCE COc1ccc(N2[C@@H](C)CNC(=O)[C@H]2CCN)cc1 216991535 PUCAEBDBGRXVPF-GXFFZTMASA-N 263.341 0.737 10 10 CCCE CN(C[C@@H](O)COc1ccc(N)cc1)C(C)(C)CO 125901649 KHXHHPDDTAQGBU-GFCCVEGCSA-N 268.357 0.711 10 10 CCCE CS[C@H](C)[C@@H](N)C(=O)NCCc1ccc(O)c(O)c1 2142098046 MXCIEQVMPUSLIR-PRHODGIISA-N 284.381 0.835 10 10 CCCE Nc1ccc(CC(=O)N2CCC[C@@H](NCCO)C2)cc1 1122173333 IQWYPGTXNCVAOA-CQSZACIVSA-N 277.368 0.384 10 10 CCCE Cc1cccc(O)c1CN[C@H]1COC[C@@H]1S(C)(=O)=O 2142477240 XBLSGYYNMQQNMR-AAEUAGOBSA-N 285.365 0.602 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)c1cc(=O)cc[nH]1 1294913029 KBLZNCBOTOEECC-UHFFFAOYSA-N 274.276 0.759 10 10 CCCE Nc1ccc(CCNS(=O)(=O)N2CCC2)cc1 1944341907 MITVIQIMLIJQLL-UHFFFAOYSA-N 255.343 0.351 10 10 CCCE C[S@](=O)(=NC(=O)CCc1ccc(N)cc1)C1CNC1 1876441542 ZVVUMOBLDNGMOB-LJQANCHMSA-N 281.381 0.798 10 10 CCCE C[C@@H]1CNCC[C@@H]1NS(=O)(=O)Cc1ccc(N)cc1 1876412018 XOCNWGZJYBZZQO-MFKMUULPSA-N 283.397 0.686 10 10 CCCE C[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)C[C@]1(C)O 1876932623 GWRVORGONHSMIR-OQPBUACISA-N 266.297 0.726 10 10 CCCE CC(C)[C@H](CO)NC(=O)Cc1ccc(O)c(O)c1 1181716151 FLJHLLQNXLLSFR-JTQLQIEISA-N 253.298 0.773 10 10 CCCE O=C(N[C@@H]1CCN[C@@H]1C1CC1)c1cccc(O)c1O 1885865656 KUGXDLDYEDSHDY-ZYHUDNBSSA-N 262.309 0.968 10 10 CCCE CN1[C@H](CNCc2cccc(F)c2O)CCS1(=O)=O 1967749916 YVHVAMIDOPIHFH-JTQLQIEISA-N 288.344 0.655 10 10 CCCE NC[C@@H]1CCC[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 1969652570 ULEYVYLFESDZLW-QWRGUYRKSA-N 264.325 0.884 10 10 CCCE O=C(O)[C@@H]1[C@@H]2OCCN(Cc3cc(F)cc(F)c3O)[C@@H]21 2149274809 CSAFZCLIIFKTBL-UMNHJUIQSA-N 285.246 0.954 10 10 CCCE NC1(c2ccc(N3CC(=O)NC(=O)C3)cc2)CCC1 258509559 WXVFFIRSECQXQT-UHFFFAOYSA-N 259.309 0.487 10 10 CCCE COc1ccc(N2CCOCC2)cc1[C@@H](O)CN 258682501 PUFBQOYSDXABIR-LBPRGKRZSA-N 252.314 0.524 10 10 CCCE N=c1[nH]sc(=NCCOc2ccc(N)cc2)[nH]1 2005718836 GXSCNRAGEMBTGJ-UHFFFAOYSA-N 251.315 0.446 10 10 CCCE C[C@H](CC(N)=O)N(C)c1cc2c(cc1F)[C@@H](O)C(=O)N2 2151340522 NXCDSFBJCMGORS-SREIQFSDSA-N 281.287 0.511 10 10 CCCE CNCc1ccc(N2CC(=O)NC(=O)[C@@H]2C)c(Cl)c1 164080533 XSQDPANRGRFNMH-QMMMGPOBSA-N 281.743 0.911 10 10 CCCE CCNC(=O)[C@H](C)NC(=O)CCOc1ccc(N)cc1 40304624 WHZALBKRQXTTRY-JTQLQIEISA-N 279.340 0.679 10 10 CCCE CNCc1ccc(N2CCN(CCO)CC2)cc1C 50582474 HKXRIUYLXMLUKI-UHFFFAOYSA-N 263.385 0.829 10 10 CCCE Nc1ccc(OCC(=O)N2CCC(F)(CO)CC2)cc1 2157518042 AKTHPGKBYMOOED-UHFFFAOYSA-N 282.315 0.971 10 10 CCCE C[C@@H](Sc1n[nH]c(=O)n1C)C(=O)Nc1ccc(N)cc1 61592429 IOCJZJCIEUPFOH-SSDOTTSWSA-N 293.352 0.810 10 10 CCCE CNCc1ccc(N2CC[C@@](O)(COC)C2)cc1 2034411108 OBWURRAKPFDUNG-AWEZNQCLSA-N 250.342 0.994 10 10 CCCE C[C@@H](CS(N)(=O)=O)N[C@@H](C)c1cc(F)ccc1O 2035455018 SXFSVKAEHIIMAD-YUMQZZPRSA-N 276.333 0.859 10 10 CCCE N[C@@H]1CC[S@](=O)(=NC(=O)c2ccc(O)c(O)c2)C1 2036856798 WJLULQIRPNMTIA-NTCNTBNZSA-N 270.310 0.437 10 10 CCCE CCN(OC)S(=O)(=O)CCOc1ccc(N)cc1 310699582 CJKMOGPRFPBGGC-UHFFFAOYSA-N 274.342 0.861 10 10 CCCE COc1cc(N)c(N2CC[C@@](O)(CO)C2)cc1OC 313662127 YFLIDHOBWCXAEV-ZDUSSCGKSA-N 268.313 0.220 10 10 CCCE Cc1n[nH]c(CN(C)C(=O)Cc2ccc(N)cc2)n1 80510825 SUOHFPNNAASQBN-UHFFFAOYSA-N 259.313 0.896 10 10 CCCE N[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 2049784280 JDEWUSDPPXFVRG-AUECLPLASA-N 250.342 0.625 10 10 CCCE Nc1ccc(OCCN=c2cc(C(=O)O)nc[nH]2)cc1 2162267394 DUPOTPMZOGDJFX-UHFFFAOYSA-N 274.280 0.670 10 10 CCCE Nc1ccc(CCN2CCC[C@H](CO)[C@@H]2CO)cc1 709796751 YDRRNCNOSUIJDC-HIFRSBDPSA-N 264.369 0.877 10 10 CCCE CCN(C[C@H](C)O)c1cc2c(cc1N)OCC(=O)N2 691395848 BZQCZLUPBFVKRJ-QMMMGPOBSA-N 265.313 0.807 10 10 CCCE CN1C(=O)C[C@@H](N[C@H]2CCc3cccc(O)c32)C1=O 389178065 PZPZEYPFVAILAB-VHSXEESVSA-N 260.293 0.726 10 10 CCCE CC[C@H](c1ccccc1O)N1CCOC[C@@]1(CN)CO 693975847 WXVHGWSGGTVYJQ-UKRRQHHQSA-N 280.368 0.865 10 10 CCCE COC(=O)[C@@H](NCCCN=[N+]=[N-])c1cnn(C)n1 386523424 NZEZNUBMGTVJOR-QMMMGPOBSA-N 253.266 0.319 10 10 CCCE C[C@@H]1[C@@H](NC(=O)COc2ccc(N)cc2)CCN1C 719405452 OIDFQLVIVWPBCH-MFKMUULPSA-N 263.341 0.856 10 10 CCCE COc1ccc(N2C[C@H](O)C[C@@]2(C)CO)c([N+](=O)[O-])c1 698144298 DKYIZQPNXMSSEV-RNCFNFMXSA-N 282.296 0.925 10 10 CCCE COc1ccc(N2CCN(C)C[C@@H]2CO)c([N+](=O)[O-])c1 699472587 CFYPWQGYFGNFHE-SNVBAGLBSA-N 281.312 0.716 10 10 CCCE COc1ccc(O)c(CN[C@@H]2CCN(C(N)=O)C2)c1 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10 10 CCCE [N-]=[N+]=N[C@H]1CCN(CC2(O)CCS(=O)(=O)CC2)C1 2050455717 INTHEEYNQWVKSC-VIFPVBQESA-N 274.346 0.311 10 10 CCCE Oc1ccc(CNC2CN(C3COC3)C2)c(O)c1 2051493856 OXZKGKJAKOJTFD-UHFFFAOYSA-N 250.298 0.270 10 10 CCCE CN(Cc1ccccc1O)S(=O)(=O)c1nc[nH]n1 2058726296 UKPXYTWNWMRJKW-UHFFFAOYSA-N 268.298 0.331 10 10 CCCE COC[C@H](NC(=O)N(C)Cc1ccccc1O)C(=O)O 2192605324 QAXNJSPXOFVNJQ-JTQLQIEISA-N 282.296 0.633 10 10 CCCE CN(C)[C@H]1CN(c2ccc(CO)c([N+](=O)[O-])c2)C[C@@H]1O 2188574569 BGNBOBRNTPFTIP-STQMWFEESA-N 281.312 0.198 10 10 CCCE CN1CC[C@@H](N(C)C(=O)c2cc(O)c(O)c(O)c2)C1=O 2188874186 DWIPGRCABCXQBD-MRVPVSSYSA-N 280.280 0.106 10 10 CCCE COc1ccc(CN[C@]2(CO)C[C@H](O)C2)cc1C 2076628247 PCHUWWTXFBSSNV-XBXGTLAGSA-N 251.326 0.979 10 10 CCCE CO[C@H]1C[C@@H](C(=O)O)N(Cc2ccc(N)cc2)C1 2076952560 VTPWNSJCCSYCQE-RYUDHWBXSA-N 250.298 0.943 10 10 CCCE CN1CC(CN(C)c2ccc(CN)cc2)(C(=O)O)C1 2106405011 ACORBANDEFOKCF-UHFFFAOYSA-N 263.341 0.598 10 10 CCCE CN(C)c1ccc([C@H](N)[C@@]2(O)CCS(=O)(=O)C2)cc1 2106859964 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2224352948 BUAYJFQJSXVJOK-MBNYWOFBSA-N 267.325 0.765 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@@H]3C[C@H](C[C@H]3N)C2)cc1 2234879769 YNPSUSLQIHUGJN-MBNYWOFBSA-N 295.408 0.768 10 10 CCCE COc1ccc(N2CC(OCC(N)=O)C2)c(C(=O)O)c1 2235952101 KFRPFWSTGQZHOT-UHFFFAOYSA-N 280.280 0.084 10 10 CCCE CNCc1cc(OC)ccc1N1C[C@H](CO)C[C@@H]1CO 2235972461 MQAYEKQQJLGHKZ-DGCLKSJQSA-N 280.368 0.594 10 10 CCCE COc1ccc(N2C[C@@H]3CN[C@@H](CO)[C@H]3C2)cc1F 2227328847 RFWDEDXPXWUHMI-GAFUQQFSSA-N 266.316 0.851 10 10 CCCE COc1ccc(CNCCN2C[C@H](C)NC2=O)c(O)c1 2239304217 ZSVYTMYFWUSGDQ-JTQLQIEISA-N 279.340 0.904 10 10 CCCE Nc1ccc(N2C[C@@H]3OC[C@H](CO)O[C@@H]3C2)cc1 2253984000 CFZUDPUYSZGKLF-RWMBFGLXSA-N 250.298 0.234 10 10 CCCE Cc1cc(N2CC[C@H](O)[C@@H](O)C2)ccc1[C@H](C)N 2257463693 KEOODFDGGBLKPJ-BPNCWPANSA-N 250.342 0.947 10 10 CCCE CCC(CO)(CO)C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1 2264552922 KTMNHHOYHYEPGN-JTQLQIEISA-N 270.333 0.916 10 10 CCCE O=C1Nc2cc(N3CC[C@H]4[C@@H](O)C[C@H]43)ccc2[C@H]1O 2330892819 VNFYEKHVEOSSKK-FOUMNBMASA-N 260.293 0.632 10 10 CCCE C[C@@]1(NC(=O)c2cc(O)nc(O)c2)CNCC1(F)F 2336514698 NESOULSKCGWCQV-SNVBAGLBSA-N 273.239 0.220 10 10 CCCE NC[C@]12C[C@H](CCN1C(=O)c1cc(O)nc(O)c1)C2 2340732716 IBSSCTVAVYQDED-KTLJEJPDSA-N 263.297 0.446 10 10 CCCE NC(=O)C[C@H]1CNCCN1Cc1ccc(F)cc1O 2343299083 CQWBRMLRFUUGFH-NSHDSACASA-N 267.304 0.181 10 10 CCCE O=[N+]([O-])c1cc(CO)ccc1N1C[C@@H]2C[C@H]1[C@H](O)[C@H]2O 2354473613 DDTPBFOLPDWNOC-WTFGDDLMSA-N 280.280 0.017 10 10 CCCE NC(=O)CN(Cc1ccc(N)cc1)C(=O)c1cccnc1 35366577 NQSDSDCBDVMCNI-UHFFFAOYSA-N 284.319 0.792 10 10 CCCE C[C@H](c1c(O)cccc1O)N1CCOC[C@H]1C(=O)O 300442640 RQMFMUBWLAULPN-BDAKNGLRSA-N 267.281 0.944 10 10 CCCE C[C@H](NC[C@@H](O)C(N)=O)c1ccc(N(C)C)cc1 228619555 HHEJCUHECMPJKC-JOYOIKCWSA-N 251.330 0.249 10 10 CCCE O=C(O)C[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)C1 89711493 PADOLFDAOPEYFB-SSDOTTSWSA-N 266.253 0.430 10 10 CCCE CN(C)CCN[C@H](C(N)=O)c1cc(F)ccc1O 234243583 XUKMMMQNSDDNOJ-NSHDSACASA-N 255.293 0.209 10 10 CCCE C[C@@H](N[C@@H]1CCS(=O)(=O)C1)c1c(O)cccc1O 235217721 QDTRMZYFYRBSAF-RKDXNWHRSA-N 271.338 0.936 10 10 CCCE CNC(=O)NC[C@@H]1CN(Cc2ccccc2O)CCO1 529643565 QNHNTAVWQPTWPM-GFCCVEGCSA-N 279.340 0.522 10 10 CCCE CCOc1ccc2c(c1)[C@](O)(CN1CCNCC1)CN2C 527411537 VVTNXHLNWBHMGU-MRXNPFEDSA-N 291.395 0.628 10 10 CCCE Nc1ccc(CCNS(=O)(=O)[C@@H]2CCCOC2)cc1 261696988 NOXSNPIMNSYMKQ-CYBMUJFWSA-N 284.381 0.910 10 10 CCCE COc1ccc(CNC(=O)c2cccc(O)c2O)nn1 1148219932 GNDARQHQAONFIF-UHFFFAOYSA-N 275.264 0.826 10 10 CCCE CS(=O)(=O)NCCNCc1cc(Cl)c(F)cc1O 294202911 KYBUPEZEWXCYQI-UHFFFAOYSA-N 296.751 0.824 10 10 CCCE CNC(=O)[C@@H]1CCN(c2ccc3c(c2)NC(=O)[C@H]3N)C1 723181818 QLDGRHPYWKSGNG-PELKAZGASA-N 274.324 0.211 10 10 CCCE CO[C@H]1C[C@@H](CO)N(c2ccc3c(c2)NC(=O)[C@H]3N)C1 2167205603 PFLQSTVVBVESJN-KWBADKCTSA-N 277.324 0.225 10 10 CCCE CCOC(=O)C(C)(C)CC(=O)OCC(=O)C(C)=O 808550849 NHWSFDGQIQJSKQ-UHFFFAOYSA-N 258.270 0.667 10 10 CCCE CN(Cc1ccc(N2CCOCC2)cc1)[C@@H]1COC[C@H]1O 931745289 KJMCHKOZKNZLIW-HZPDHXFCSA-N 292.379 0.715 10 10 CCCE CS(=O)(=O)C[C@H]1CCCN1C(=O)c1cccc(O)c1O 855737560 CAFAHRYLVSAIJA-SECBINFHSA-N 299.348 0.747 10 10 CCCE O=CN1CCC[C@H]1C(=O)N1Cc2cccc(O)c2C1 871205445 SSOHQNACSHBNKY-LBPRGKRZSA-N 260.293 0.855 10 10 CCCE COc1cc2c(cc1OC)N(C[C@H](O)CO)C[C@@H](C)N2 76928136 SVISTKXSZFATRT-ZJUUUORDSA-N 282.340 0.677 10 10 CCCE N[C@@H](C(=O)NC[C@H]1CCCO1)c1ccccc1O 83382496 VMJKMFSUPBWCFG-BXKDBHETSA-N 250.298 0.687 10 10 CCCE CN(C)C[C@@H](O)CN(C)c1c(F)cc(CO)cc1F 690318522 VOANDHBKLQEPRD-SNVBAGLBSA-N 274.311 0.816 10 10 CCCE COc1ccc(CNS(=O)(=O)N(C)C2CC2)c(O)c1 795362476 MQUBPKSORIWSCG-UHFFFAOYSA-N 286.353 0.829 10 10 CCCE CN1C[C@@H]2CC[C@H](C1)N2c1ccc2c(c1)NC(=O)[C@H]2O 687231553 ZUMTXJHDZHHUGD-WDMOLILDSA-N 273.336 0.955 10 10 CCCE CNCc1ccc(N2C[C@@H](O)C[C@@H]2CO)c(C)c1 698175017 ONBNSOZGRVLXJI-OLZOCXBDSA-N 250.342 0.646 10 10 CCCE CS(=O)(=O)CC(=O)N1CCC[C@H](CN=[N+]=[N-])C1 1912156873 OCNORQGXPOEPML-MRVPVSSYSA-N 260.319 0.580 10 10 CCCE Nc1ccc(-n2nccc2NS(=O)(=O)C2COC2)cc1 1923172054 CKEHABGMNLCURW-UHFFFAOYSA-N 294.336 0.595 10 10 CCCE COC(=O)[C@H](C)CS(=O)(=O)N(C)c1ccc(N)cc1 2127135112 SLLGQZMDGXVRLH-SECBINFHSA-N 286.353 0.844 10 10 CCCE CO[C@@H]1COC[C@@H]1N(C)C(=O)c1cccc(O)c1O 2120749406 AUQOBJKUBOUMJW-GXSJLCMTSA-N 267.281 0.584 10 10 CCCE C[C@H](N)c1ccc(N2C[C@@H]3C[C@H](C2)[C@H](O)[C@H]3O)cc1 2126157029 PDSOHHACUVUREP-OEOBOFROSA-N 262.353 0.884 10 10 CCCE CSc1ncc(Cn2c(O)nc(O)cc2=O)s1 2248697930 WXXFNWSNSHBRAK-UHFFFAOYSA-N 271.323 0.881 10 10 CCCE Nc1ccc(CN2CC[C@H]3OCC(=O)N[C@H]3C2)cc1 2129055369 IMXVUGMDTGADFV-QWHCGFSZSA-N 261.325 0.358 10 10 CCCE C[C@H](N)C(C)(C)CNC(=O)c1cc(O)c(O)c(O)c1 2132403230 ILLDFPNXTCUJLF-ZETCQYMHSA-N 268.313 0.907 10 10 CCCE CS(=O)(=O)CC(=O)N1CCC[C@@H](CN=[N+]=[N-])C1 1912156875 OCNORQGXPOEPML-QMMMGPOBSA-N 260.319 0.580 10 10 CCCE [N-]=[N+]=NC1CCN(S(=O)(=O)c2cccnn2)CC1 1912207793 POTSGSNBWJRDCM-UHFFFAOYSA-N 268.302 0.940 10 10 CCCE CNCc1cc(F)c(N2CC(CO)(CO)C2)c(F)c1 1914985073 PYZJLDXEQNTQAI-UHFFFAOYSA-N 272.295 0.475 10 10 CCCE 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C[C@@](NC(=O)c1cc(O)c(O)c(O)c1)(C(=O)O)C(F)F 2188868848 XYXNLQJYFFONIZ-NSHDSACASA-N 291.206 0.642 10 10 CCCE CN(C(=O)c1cc(O)c(O)c(O)c1)[C@H](CCN)C(F)F 2188912866 NKTQWFQCUSMUMH-SSDOTTSWSA-N 290.266 0.858 10 10 CCCE Nc1ccc(OCC(=O)NCCC2COC2)cc1 2048591644 ULKAYCSEDLTRGO-UHFFFAOYSA-N 250.298 0.800 10 10 CCCE COc1ccc([C@@H](C)N[C@H](CO)[C@@H](C)O)c(O)c1 2053798198 RIPAPQDCANMZCZ-KBVBSXBZSA-N 255.314 0.793 10 10 CCCE Cc1ccc(O)c(CN2CC[C@@H](N)[C@@H](CO)C2)c1 2058540397 KEZBWBSAPSYXNO-CHWSQXEVSA-N 250.342 0.842 10 10 CCCE COc1ccc(O)c(CN2C[C@H](N)[C@@H](OC)C2)c1 2058776034 NSCCLZOWQVKSBS-AAEUAGOBSA-N 252.314 0.559 10 10 CCCE Nc1ccc(CCC(=O)NCCO[C@H]2CCNC2)cc1 2191660317 VLCJSCGBQCODDR-AWEZNQCLSA-N 277.368 0.696 10 10 CCCE NC[C@H]1COCCN1C(=O)CCOc1ccc(N)cc1 2191671877 UWKXXMWMPGEDFO-LBPRGKRZSA-N 279.340 0.224 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CCC[C@H]3CNC[C@H]32)cc1 2191770889 XRSITXRDMGKOET-GXTWGEPZSA-N 295.408 0.782 10 10 CCCE Nc1ccc(OCCS(=O)(=O)N2C[C@H]3C[C@H]3C2=O)cc1 2191768673 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COc1ccc(N(C)[C@H](C)C(=O)N2CCNCC2)cc1 2279037958 SESWGKKAIMIVOY-GFCCVEGCSA-N 277.368 0.952 10 10 CCCE C[C@@H]1CN(C(=O)Nc2ccc(N)cc2)CC2(CNC2)O1 2288562068 IFOOYQXCXFAWRU-SNVBAGLBSA-N 276.340 0.863 10 10 CCCE C[C@]1(NC(=O)c2cc(O)nc(O)c2)CC[C@]1(C)C(=O)O 2289933357 MEZIAUHCNJUCER-OLZOCXBDSA-N 280.280 0.866 10 10 CCCE O=S1(=O)C[C@H]2CN(Cc3ccc(F)cc3O)C[C@H]21 2314965446 VBGGMZFRQSOXHP-BXKDBHETSA-N 271.313 0.760 10 10 CCCE CCCNC(=O)CN1CCc2cc(O)c(O)cc2C1 2341216197 IMYQBTZNDMTVMJ-UHFFFAOYSA-N 264.325 0.982 10 10 CCCE O=C(c1cccc(O)c1O)N1CCO[C@@]2(CCOC2)C1 280567213 VLNIHCNRHFSEMO-AWEZNQCLSA-N 279.292 0.729 10 10 CCCE O[C@H]1CCc2cc(N3CC[C@@H]4C[C@H]3[C@H](O)[C@H]4O)ccc21 2357587070 IBPVDULDMUNPQO-OLFNHAQQSA-N 275.348 0.987 10 10 CCCE COC(OC)[C@@H](C)NC(=O)c1cccc(O)c1O 126165313 QCYIQWXNRNPWNM-SSDOTTSWSA-N 255.270 0.835 10 10 CCCE CC(C)(O)CN1CCN(C(=O)Cc2ccc(N)cc2)CC1 71380054 CTDHNHQFELSPNK-UHFFFAOYSA-N 291.395 0.726 10 10 CCCE [N-]=[N+]=NCCNS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 42012790 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COc1cc(N2CCO[C@H](CN(C)C)C2)ccc1CN 2204557485 QALSHBXONSSMGH-CQSZACIVSA-N 279.384 0.921 10 10 CCCE Nc1ccc(CC(=O)N[C@H]2COC3(CCC3)[C@@H]2O)cc1 2206480448 UKMZGCNTSDDSIL-GXTWGEPZSA-N 276.336 0.610 10 10 CCCE C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)[C@H]1CCCN1 2271375483 LEIZWLBWWRJCLC-MWLCHTKSSA-N 264.325 0.897 10 10 CCCE Cc1cc([C@@H](C)O)ccc1N1C[C@H](O)[C@@H](O)[C@H]1CF 2232105008 RMNADBPUFWKSSW-QQUHWDOBSA-N 269.316 0.928 10 10 CCCE COc1ccc(N2C[C@H](CO)C[C@H]2CO)c(OC)c1 2226810405 INNUULXJBWABIN-MNOVXSKESA-N 267.325 0.883 10 10 CCCE O=C(O)[C@@H]1CC[C@H](O)CN1Cc1ccc(F)cc1O 2264529589 TTYJVNMTXPLHFQ-QWRGUYRKSA-N 269.272 0.941 10 10 CCCE Cc1cc(CN)ccc1N1C[C@@H]2OC[C@H](CO)O[C@@H]2C1 2279774491 IXJMDQFHGNHPFI-AEGPPILISA-N 278.352 0.419 10 10 CCCE C[C@H](O)CN(CCN)c1cc2c(cc1N)OCCO2 2269948241 PUXNZZGYSRQJMP-VIFPVBQESA-N 267.329 0.186 10 10 CCCE O=C(N[C@]1(CO)C[C@H]2CC[C@H]1C2)c1cc(O)nc(O)c1 2283924753 TZPJLDOCJLATKZ-BXGCZWRVSA-N 278.308 0.774 10 10 CCCE Cc1cc(N2CC[C@](O)(CO)[C@@H](O)C2)ccc1[C@H](C)N 2285127719 FIFCGFXLRGVNPG-CQDKDKBSSA-N 280.368 0.309 10 10 CCCE CS(=O)(=O)c1cnn(CC(=O)Nc2ccc(N)cc2)c1 2289103921 FTQLWIMFVQADFN-UHFFFAOYSA-N 294.336 0.508 10 10 CCCE CN1C[C@H](CNC(=O)c2cc(O)c(O)c(O)c2)CC1=O 1148589684 GZJQTQCNIGFXND-ZETCQYMHSA-N 280.280 0.012 10 10 CCCE CO[C@H]1C[C@@H]2C[C@](NCCN=[N+]=[N-])(C(N)=O)C[C@@H]21 2310820232 YYKRNCAQXLBGDU-UYAYMFIHSA-N 253.306 0.555 10 10 CCCE CSc1cc(N2C[C@@H](O)C[C@H](O)C2)ccc1CN 2328541902 YHSXXFUONKMSOP-RYUDHWBXSA-N 268.382 0.799 10 10 CCCE Nc1ccc(OCC(=O)OC[C@@H]2CNC(=O)C2)cc1 2353014502 XFZGPYRGAIRAPQ-VIFPVBQESA-N 264.281 0.327 10 10 CCCE COCCNC(=O)[C@@]12CC[C@@](C)(C(=O)C1=O)C2(C)C 8236779 HMFZOBQUZSJFPB-UONOGXRCSA-N 267.325 0.714 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@H]2C[C@@H]3C[C@H]2C[C@H]3N)cc1 2357175860 KEEREESWXDDPDI-CDGCEXEKSA-N 295.408 0.814 10 10 CCCE CCCNS(=O)(=O)CCOc1ccc(N)cc1 70490445 NYJMNJATTGVIEV-UHFFFAOYSA-N 258.343 0.977 10 10 CCCE C[C@@H]1C[C@H](N)CCN1C(=O)c1cc(O)nc(O)c1 131632507 GJCMXLVIZMXMQM-VXNVDRBHSA-N 251.286 0.445 10 10 CCCE CC(=O)N1CCN(C(=O)CCOc2ccc(N)cc2)CC1 40294097 GDNJKMGTTKQTET-UHFFFAOYSA-N 291.351 0.728 10 10 CCCE CN1CCOC[C@H]1CNC(=O)c1cccc(O)c1O 700255518 JAOKAYIYJZLYQI-SECBINFHSA-N 266.297 0.158 10 10 CCCE Oc1ccc(CN2CC[C@H](N3CCNCC3)C2)c(O)c1 383445789 JPOVMVBMOTVHCN-ZDUSSCGKSA-N 277.368 0.577 10 10 CCCE CN1CCCc2cc([C@@H](NN)c3ncnn3C)ccc21 2163107800 UKYYIDCYMXIGLM-CYBMUJFWSA-N 272.356 0.750 10 10 CCCE CCN1CCC[C@@H](NCc2ccc(O)c(O)c2O)C1=O 722356176 IQKNCIHDAGDVEN-SNVBAGLBSA-N 280.324 0.904 10 10 CCCE CC(C)(O)[C@@H](O)C(=O)NCCCSc1nccs1 900682864 JRSBFCGTKZQVPT-QMMMGPOBSA-N 290.410 0.873 10 10 CCCE COc1cccc(CNC(=O)Cc2ccnn2C)c1O 768075188 ASJPUQUCIVUEPN-UHFFFAOYSA-N 275.308 0.993 10 10 CCCE NC(=O)N[C@@H]1CCN(C(=O)c2cc(O)cs2)C1 763224903 XLWHYPSPNJQUFS-ZCFIWIBFSA-N 255.299 0.337 10 10 CCCE COc1ccc([C@@H](C(=O)O)N2C(=O)C=CC2=O)c(O)c1 83578746 QIWMAKLRGYZZAZ-LBPRGKRZSA-N 277.232 0.452 10 10 CCCE COc1ccc(O)c(CNCCC2CS(=O)(=O)C2)c1 787417696 NTJBUNIJLXLETP-UHFFFAOYSA-N 285.365 0.925 10 10 CCCE CC(=O)NCCNCc1ccc(N2CCNCC2)cc1F 84827225 NWDXFAVYZGIXHL-UHFFFAOYSA-N 294.374 0.461 10 10 CCCE COC(=O)CCS(=O)(=O)Nc1ccc(O)c(F)c1 85201013 UZLYHCXKFOYBAH-UHFFFAOYSA-N 277.273 0.836 10 10 CCCE CN(Cc1ccccc1O)C(=O)CS(=O)(=O)C1CC1 1137345432 ILAUUPSLSUUGTB-UHFFFAOYSA-N 283.349 0.928 10 10 CCCE O=C1CC[C@H](NCc2ccc3c(c2)CCO3)C(=O)N1 89753428 OWRRCEHLOQBWFG-NSHDSACASA-N 260.293 0.516 10 10 CCCE CN(Cc1ccc(N)cc1)c1nc(C(=O)O)n(C)n1 2116557905 SHPZBIAKPMEDHC-UHFFFAOYSA-N 261.285 0.732 10 10 CCCE NC(=O)[C@@H]1OCC[C@@H]1NCc1ccc(F)c(F)c1O 2117461511 ZCMQWEMQSGDRAQ-GZMMTYOYSA-N 272.251 0.403 10 10 CCCE [N-]=[N+]=NC1CCN(C(=O)C2[C@H]3CS(=O)(=O)C[C@H]23)CC1 2117936456 PUJKXTZWCBXJOS-IUCAKERBSA-N 284.341 0.578 10 10 CCCE NC(=O)[C@@]1(O)CCN(c2ccc3c(c2)CC[C@@H]3O)C1 2128317300 DCMHMNPFZXOUOT-GXTWGEPZSA-N 262.309 0.093 10 10 CCCE NC[C@@H](CC(F)F)NC(=O)c1cc(O)c(O)c(O)c1 2132418981 PCJUPYJIMNELOA-ZCFIWIBFSA-N 276.239 0.516 10 10 CCCE CC(C)OC(=O)NS(=O)(=O)N1CC[C@H](N=[N+]=[N-])C1 1912163890 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ILQKTPPMRBRSKF-CYBMUJFWSA-N 263.341 0.952 10 10 CCCE NS(=O)(=O)CCCNCc1cccc(F)c1O 158749196 MLQYXEVWNQSABN-UHFFFAOYSA-N 262.306 0.300 10 10 CCCE CO[C@H]1CN(c2ccc3c(c2)NC(=O)[C@H]3N)C[C@H]1OC 234864273 YOBOOLCQQRNNFL-XQQFMLRXSA-N 277.324 0.489 10 10 CCCE Nc1cc2c(cc1N1C[C@H]3C[C@@]3(N)C1)CCC(=O)N2 1876217436 KCYLRWFHQBGAMJ-YMTOWFKASA-N 258.325 0.691 10 10 CCCE NC(=O)c1ccc(N)c(NCc2ccc(N)cc2)n1 1876474551 BEXQCJHEXJEESD-UHFFFAOYSA-N 257.297 0.957 10 10 CCCE COCCN(C(=O)Cc1ccc(N)cc1)C1CNC1 1876446141 GDDUNFPRYMZSOA-UHFFFAOYSA-N 263.341 0.258 10 10 CCCE CO[C@H]1[C@H](OC(C)=O)O[C@H](C)[C@H](N=[N+]=[N-])[C@@H]1OC(C)=O 1775955080 ODLASXVOYXIJIR-JGVZAMNVSA-N 287.272 0.920 10 10 CCCE in-vitro O=C(Cc1ccc(O)c(O)c1)N[C@H]1CC[C@@H](O)C1 1963850207 RMCZXQDBZXLISQ-VHSXEESVSA-N 251.282 0.670 10 10 CCCE Cc1cc(N2C[C@@H]3CS(=O)(=O)C[C@H]3C2)ccc1CCN 2144168617 GJCLJEDRTXQQRQ-ZIAGYGMSSA-N 294.420 0.977 10 10 CCCE C[C@H]1OCCO[C@@H]1C(=O)NCCc1ccc(O)c(O)c1 2148000105 MIFIZIWYDATYTR-RNCFNFMXSA-N 281.308 0.560 10 10 CCCE Nc1ccc(CC(=O)NC[C@@H]2CCS2(=O)=O)cc1 1972336850 DZIYEDSZQYSUFH-NSHDSACASA-N 268.338 0.115 10 10 CCCE CCOC(=O)CC[C@@H](N)[C@@H](O)c1ccc(O)c(O)c1 259776245 RXSMPQUVTVJYOX-RNCFNFMXSA-N 269.297 0.802 10 10 CCCE NC(=O)CCNC(=O)c1ccn(-c2ccc(N)cc2)n1 36746669 RRHROVPCVXSZPF-UHFFFAOYSA-N 273.296 0.060 10 10 CCCE CN(C(=O)CN1CCC[C@H]1CO)c1ccc(N)cc1 48859968 YCBYMHKQNWMVSC-ZDUSSCGKSA-N 263.341 0.688 10 10 CCCE CO[C@@H]1C[C@H]2C[C@H]1C[C@]2(NCCN=[N+]=[N-])C(N)=O 2040796172 RUUQTZPWVPRIIH-YSSBGUOXSA-N 253.306 0.555 10 10 CCCE C[C@H](CNC(=O)c1ccc(O)c(O)c1)N1CCC1 2041310106 FTJMBIUEUZEPSM-SECBINFHSA-N 250.298 0.922 10 10 CCCE Nc1ccc(NC(=O)CN2CCOCCC2=O)cc1 311931537 DNXTZRMBZHCFHU-UHFFFAOYSA-N 263.297 0.456 10 10 CCCE NCc1cc(F)c(N2CCC[C@@](O)(C(N)=O)C2)c(F)c1 312650774 KTYFKDOZHCXCNZ-ZDUSSCGKSA-N 285.294 0.240 10 10 CCCE Nc1ccc(O)c(CN2CCC[S@@](=O)CC2)c1 321845351 IRKFXRWXRKHNIH-QGZVFWFLSA-N 254.355 0.929 10 10 CCCE CC(C)[C@@H](NC(N)=O)C(=O)NCCCCN=[N+]=[N-] 701264323 RPPIJQBESHWHRB-MRVPVSSYSA-N 256.310 0.886 10 10 CCCE CN1C(=O)[C@H](O)c2ccc(N3C[C@H]4OCC[C@@H]4C3)cc21 2172074912 VPBVRFOIKNFKLW-OWYVNGRQSA-N 274.320 0.922 10 10 CCCE C[C@]12CNC[C@@H]1CN(C(=O)c1cccc(O)c1O)C2 702127417 VYWNFPOKITWRDD-YMTOWFKASA-N 262.309 0.779 10 10 CCCE COc1ccc(N2C[C@@H](CO)[C@@H](CO)C2)c(N)c1 704706573 NYFTYHAHSNJJIO-AOOOYVTPSA-N 252.314 0.314 10 10 CCCE C[C@]1(C(=O)NCCc2ccc(O)c(O)c2)CNC(=O)C1 364464353 WNFPTNTWSBSZTI-CQSZACIVSA-N 278.308 0.283 10 10 CCCE CN(C)C[C@H](CO)NCc1ccc(F)c(F)c1O 716669944 HMTKKHRTCBDXPZ-SECBINFHSA-N 260.284 0.683 10 10 CCCE COc1ccc(CNC[C@H](C)S(N)(=O)=O)cc1C 398383890 ULFGTBALGIFPGJ-JTQLQIEISA-N 272.370 0.770 10 10 CCCE CNCc1ccc(OC)c(C[S@@](=O)CCC(=O)NC)c1 399347364 KDKCRZIIHCHBNK-FQEVSTJZSA-N 298.408 0.799 10 10 CCCE O=C(C[C@]1(O)CCOC1)NCc1c(O)cccc1O 2062143391 SOZAJVCIQCFXLF-CYBMUJFWSA-N 267.281 0.256 10 10 CCCE COCC[C@H](N)C(=O)N[C@H](C)c1ccccc1O 1119299452 NWOLKJXFIKEXIE-KOLCDFICSA-N 252.314 0.933 10 10 CCCE CO[C@H]1COC[C@@H]1N(C)c1ccc(CO)cc1[N+](=O)[O-] 2177268578 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CCCE C[C@H](O)c1ccc(N2C[C@H]3C[C@H]2[C@H](O)[C@H]3O)cc1O 2104412153 SPWYMPWYCQYZSD-UAESNCDCSA-N 265.309 0.376 10 10 CCCE Nc1ccc(CNS(=O)(=O)C2CC(C(=O)O)C2)cc1 2106173397 NQTMKVNELDKPRB-UHFFFAOYSA-N 284.337 0.551 10 10 CCCE COc1ccc([C@H](C)N[C@@H]2C[C@@H](O)C[C@@H]2O)c(O)c1 2108797863 SOWPKSQVJCISQN-HFGIQWQSSA-N 267.325 0.936 10 10 CCCE C[C@@H](Nc1c(N)cccc1C(=O)O)C1CS(=O)(=O)C1 2089879831 ZEBRTBZTPYRFGC-SSDOTTSWSA-N 284.337 0.812 10 10 CCCE CN(CC(F)(F)CO)S(=O)(=O)Cc1ccc(N)cc1 2094618160 WIXYIVGSNSRPLR-UHFFFAOYSA-N 294.323 0.658 10 10 CCCE O=C(c1cccc(O)c1O)N1CC[C@H](C2CNC2)C1 2093491252 AKHWHAPLOYLCMO-VIFPVBQESA-N 262.309 0.779 10 10 CCCE NN[C@H](c1ccccc1O)c1cccn2ncnc12 2094376225 ZZBSXEPZLSXZPV-GFCCVEGCSA-N 255.281 0.988 10 10 CCCE CN[C@H](C)c1ccc(N(C)[C@H]2CC(=O)NC2=O)cc1 2114736620 CGHSBMIKTKGDDA-SKDRFNHKSA-N 261.325 0.818 10 10 CCCE Nc1ccc(CCC(=O)N2CC[C@@H](O)C[C@@H]2CO)cc1 2200835266 UATVTSGDOYLBLE-ZIAGYGMSSA-N 278.352 0.546 10 10 CCCE COCCNS(=O)(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-] 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0.415 10 10 CCCE O=[N+]([O-])c1ccc(N2C[C@@H]3C[C@H](C2)[C@H]3O)cc1CO 2270679474 AKOJIZLKAOEUDS-YFKFIEJBSA-N 264.281 0.904 10 10 CCCE COc1ccc(N2CC[C@H](O)[C@H](O)CC2)c(CO)c1 2269132111 BPLPCSMKCYXHHK-OKILXGFUSA-N 267.325 0.510 10 10 CCCE Nc1ccc(OCC(=O)NCCS(=O)(=O)C2CC2)cc1 2290120760 DXIQNIDKPZZSIP-UHFFFAOYSA-N 298.364 0.341 10 10 CCCE CN1C(=O)CC(=O)N(C(=O)Cc2ccc(N)cc2)C1=O 2280523666 OXLSUCWNCPFZKA-UHFFFAOYSA-N 275.264 0.149 10 10 CCCE COc1cc(OC)c(N2CC[C@@](O)(CO)C2)c(OC)c1 2287066457 BHGKLOANYJGSCQ-AWEZNQCLSA-N 283.324 0.646 10 10 CCCE COc1cc(OC)c(N2CCOC[C@@H](O)C2)cc1OC 2289450918 WRXSCEVFYIKTCJ-JTQLQIEISA-N 283.324 0.910 10 10 CCCE COC[C@@](CN)(NCc1cnc(SC)s1)C(=O)O 2326009793 GFKUPKRIPKCYAS-SNVBAGLBSA-N 291.398 0.383 10 10 CCCE C[C@@](NCCCN=[N+]=[N-])(C(N)=O)[C@@H]1C[C@@H]2CCO[C@H]12 2333157755 YWJDBSMYBQXBLH-WYFGTUCQSA-N 267.333 0.945 10 10 CCCE C[C@H](Cc1ccc(O)c(O)c1)C(=O)N1CC[C@H](O)C1 170041472 IDUDWOWGCZQDQW-KOLCDFICSA-N 265.309 0.870 10 10 CCCE 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O=C1NCCN[C@@H]1c1ccc(Br)cc1O 96886538 LUVGRHBOWIZGEY-SECBINFHSA-N 271.114 0.915 10 10 CCCE COc1cccc(CN2CCN3C[C@H](O)C[C@H]3C2)c1O 848926749 XXBYMIOYZOAZMN-QWHCGFSZSA-N 278.352 0.652 10 10 CCCE CCCCNC(=O)[C@H](N)c1ccc(O)c(O)c1O 83398442 ASSUBRQAFPESOF-SECBINFHSA-N 254.286 0.720 10 10 CCCE N[C@H](c1nnc(CC(=O)O)o1)c1ccc(O)cc1O 83480498 GEXHEOBYOJZMOR-JTQLQIEISA-N 265.225 0.156 10 10 CCCE NC(=O)CCOC(=O)c1ccn(-c2ccc(N)cc2)n1 42290145 LWVVILQLMOONMG-UHFFFAOYSA-N 274.280 0.487 10 10 CCCE O=C(N[C@H]1CCO[C@H]1C(=O)O)c1ccc(O)c(O)c1 702963606 POQATXNYPFWASC-OIBJUYFYSA-N 267.237 0.070 10 10 CCCE CN1CC[C@@H](N(C)CCOc2ccc(N)cc2)C1=O 690280632 VPIVHEOGANABIS-CYBMUJFWSA-N 263.341 0.810 10 10 CCCE Cc1cc(CN)ccc1N1C[C@H](O)C[C@@]1(C)CO 698199525 PKTGGWMUGRIINV-OCCSQVGLSA-N 250.342 0.776 10 10 CCCE C[C@@H](N)c1ccc(N2CC(=O)NC(=O)C2(C)C)cc1 97301198 LHRXJPSQVZALAF-SECBINFHSA-N 261.325 0.948 10 10 CCCE C[C@H](N)c1ccc(N2CCO[C@@H](CCO)C2)cc1O 2116237658 SSOHGXJMYLQQGH-JQWIXIFHSA-N 266.341 1.000 10 10 CCCE 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CCN1CCN(CC(=O)Nc2ccc(N)cc2)CC1=O 2158787337 MNFPSBNVDMASLG-UHFFFAOYSA-N 276.340 0.371 10 10 CCCE COc1cccc(O)c1CNC[C@H]1CN2CCN1CC2 2160727822 COQSGBNGNSEHJX-LBPRGKRZSA-N 277.368 0.490 10 10 CCCE Cc1cc(CN)ccc1N1CC[C@@H](NS(C)(=O)=O)C1 703003493 PASDUZPWEPMUNF-GFCCVEGCSA-N 283.397 0.582 10 10 CCCE C[C@H](O)CN1CCN(c2ccc([C@@H](C)O)c(O)c2)CC1 2170223011 CWXTXBCVMNVJTP-NWDGAFQWSA-N 280.368 0.948 10 10 CCCE CN1CCCc2cc([C@@H](O)c3nnnn3C)ccc21 687847390 ZIVYBDKAPOKMSH-GFCCVEGCSA-N 259.313 0.674 10 10 CCCE CN(CCCNCc1cccc(F)c1O)S(C)(=O)=O 692436753 RNZKMJQBCYZCER-UHFFFAOYSA-N 290.360 0.902 10 10 CCCE N[C@@H]1CC[C@H]2CN(C(=O)c3ccc(O)c(O)c3)C[C@H]12 388672011 CSDXAJONHRQQNS-GARJFASQSA-N 262.309 0.907 10 10 CCCE COc1ccc(CNCCCc2nn[nH]n2)c(O)c1 392604672 GEMAWEVGJQTNOC-UHFFFAOYSA-N 263.301 0.636 10 10 CCCE Cc1cc(O)nc(CNCc2ccc(O)c(O)c2O)n1 2163206578 HLCQNPYCLUVPJN-UHFFFAOYSA-N 277.280 0.897 10 10 CCCE C[C@@H](COC(=O)[C@@H](N)Cc1ccc(O)c(O)c1)N(C)C 2175834434 IXJYCHUSPCDIMY-ONGXEEELSA-N 282.340 0.461 10 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284.360 0.646 10 10 CCCE C[C@H](NC(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-])S(C)(=O)=O 2218741006 AXGIOIDYZSUOBO-PRJMDXOYSA-N 275.334 0.908 10 10 CCCE Cc1cc(N2C[C@@H]3COC[C@@]3(CO)C2)ccc1CO 2226169358 QVGVTIXHNUXLKZ-HIFRSBDPSA-N 263.337 0.932 10 10 CCCE COc1ccc(N2CC3(C2)OC[C@@H](O)[C@@H]3O)c(C)c1 2226748224 MPGIGPCWFXWADD-OLZOCXBDSA-N 265.309 0.314 10 10 CCCE CNC1(C(N)=O)CC(COc2ccc(N(C)C)cc2)C1 2237685543 UZGZLLMXZPSSFI-UHFFFAOYSA-N 277.368 0.985 10 10 CCCE C[C@H]1CN(CCNC(=O)Cc2ccc(N)cc2)C(=O)N1 2239257420 BEHBPTNFNRWEMF-JTQLQIEISA-N 276.340 0.341 10 10 CCCE CSc1ncc(CNC(=O)[C@H]2CO[C@@H](CN)C2)s1 2257024297 VZPDAUNOMVHBCI-HTQZYQBOSA-N 287.410 0.845 10 10 CCCE CN(CC1(O)CNC1)c1ccc2c(c1)OCCCO2 2271686140 RGPGMEOVDSJWEB-UHFFFAOYSA-N 264.325 0.618 10 10 CCCE OCc1ccc(N2C[C@@H]3OC[C@@H](CO)O[C@@H]3C2)c(Cl)c1 2279758073 BVILVOPTDBIVJX-DDTOSNHZSA-N 299.754 0.797 10 10 CCCE C[C@H](O)c1ccc(N2CC[C@@H]2[C@@H](O)CO)c([N+](=O)[O-])c1 2286226738 MLUWVGHFDUAWSU-KDDOJWQBSA-N 282.296 0.580 10 10 CCCE [N-]=[N+]=NCCN[C@]1(C(N)=O)C[C@@H]2[C@H]3CC[C@H](O3)[C@H]21 2310684643 OWSDAKFIZAGYQW-LSQHKTNHSA-N 251.290 0.308 10 10 CCCE C[C@@H](N)c1ccc(N2CC([C@H](O)CO)C2)cc1O 2315166201 KMDOKWTXCAWVNE-AMIZOPFISA-N 252.314 0.201 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N3C[C@@H]4COC[C@@H]43)ccc21 2331658394 YKBFKWLCEGMCHH-OXHMUOHRSA-N 259.309 0.734 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)[C@H]1[C@H]2CN[C@@H]1C2 2333039756 LMZGGJUAHHIDPQ-BREBYQMCSA-N 262.309 0.364 10 10 CCCE CC(=CC(=O)NCCOc1ccc(N)cc1)C(=O)O 2335514181 POBFJNRKZSYPJT-UHFFFAOYSA-N 264.281 0.795 10 10 CCCE O=S1(=O)C[C@@H]2CN(Cc3ccc(F)c(F)c3O)C[C@H]21 2336548426 JHUYXBXXRZMZEL-WCBMZHEXSA-N 289.303 0.899 10 10 CCCE CCN(CCN=[N+]=[N-])C(=O)[C@@H]1CCc2nncn2C1 2337776048 ILNOULUNLJAMMJ-SECBINFHSA-N 263.305 0.999 10 10 CCCE CCNC(=O)NC(=O)[C@H](C)Oc1ccc(N)cc1 20388024 OYKKBBYLQUHZNB-QMMMGPOBSA-N 251.286 0.882 10 10 CCCE O=C1C[C@H](C(=O)NCCCSc2nccs2)CN1 114375360 KVJKIYZQMFLQKK-QMMMGPOBSA-N 285.394 0.878 10 10 CCCE COc1cccc(CN[C@H](C)C(=O)N(C)C)c1O 36794282 HYTIIOYRRLWZLK-SECBINFHSA-N 252.314 0.967 10 10 CCCE C[C@H](NCCN1C(=O)CNC1=O)c1ccc(F)c(F)c1O 187917818 DNMAQOJLBMHLDK-ZETCQYMHSA-N 299.277 0.873 10 10 CCCE [N-]=[N+]=NC[C@H]1O[C@H](OCc2ccccc2)[C@@H]2N[C@@H]2[C@H]1O 32107359 UMGDJQJWZFFFAO-FHUSYTEZSA-N 276.296 0.940 10 10 CCCE CN1C(=O)C[C@H](NCc2cccc(Cl)c2O)C1=O 158796423 CTYAEUKNEBMRLW-VIFPVBQESA-N 268.700 0.893 10 10 CCCE CCCN[C@@H]1C(=O)Nc2cc(N3CCNC(=O)C3)ccc21 36194165 JJWNUYRJKYLRGE-AWEZNQCLSA-N 288.351 0.616 10 10 CCCE Nc1ccc(OCCC(=O)NC[C@@H]2COCCO2)cc1 40305992 WVRQKVTWGBYWAS-CYBMUJFWSA-N 280.324 0.569 10 10 CCCE CN(C)Cc1cc([C@@H]2CNC[C@@H]2CO)ccc1O 1952247929 PEKDOHZOIFUPPA-OLZOCXBDSA-N 250.342 0.749 10 10 CCCE CNCc1cc(F)c(N2CC(=O)NC(=O)C2)c(F)c1 97269690 VPGYBSZDHHCXTN-UHFFFAOYSA-N 269.251 0.147 10 10 CCCE C[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)C[C@H]1CO 700396007 SAXNFHSTTCDMKS-SCZZXKLOSA-N 266.297 0.583 10 10 CCCE CN1[C@H]2CC[C@H]1CN(c1ccc3c(c1)NC(=O)[C@@H]3N)C2 723928892 RTPJCBWVOLFRAF-COPLHBTASA-N 272.352 0.921 10 10 CCCE O=C(O)C[C@@H]1CN(Cc2ccccc2O)CCS1(=O)=O 725037556 VWNMWZKPEJYAJO-LLVKDONJSA-N 299.348 0.466 10 10 CCCE CO[C@@H](C(=O)NCc1ccc(O)c(O)c1)[C@H]1CCOC1 830559867 WZTXBSDAVCSQNY-GXFFZTMASA-N 281.308 0.766 10 10 CCCE CN(CCO)CCN(C)C(=O)/C=C\c1ccc(O)c(O)c1 912607098 BHBSZQSCZJPENO-XQRVVYSFSA-N 294.351 0.494 10 10 CCCE CN1C[C@@H](C(=O)O)[C@H](O)c2cc3c(cc21)OCO3 84102468 UGENCODCPZOEFG-RDDDGLTNSA-N 251.238 0.599 10 10 CCCE CN(CCN1C(=O)CCC1=O)c1ccc(CN)cc1 692131579 FPUCXJLTTLCEEN-UHFFFAOYSA-N 261.325 0.731 10 10 CCCE O=C1Nc2cc(N3C[C@H](O)C[C@@H]3CO)c(Cl)cc2[C@@H]1O 698137863 MKRSMPYZNGZWFO-QHMRUWFYSA-N 298.726 0.257 10 10 CCCE C[C@]12COC[C@H]1NC(=O)N(c1ccc(N)cc1)C2=O 90579838 XBGIIISERSYSFC-MFKMUULPSA-N 261.281 0.730 10 10 CCCE CCNCc1ccc(N2CC(=O)NC(=O)[C@H]2C)cc1C 97295845 XQXDDOQWMLKJKC-LLVKDONJSA-N 275.352 0.956 10 10 CCCE O=C(NC[C@@H](O)CC(F)(F)F)c1cc(O)nc(O)c1 2119065443 CFVAAXSFQPTASE-LURJTMIESA-N 280.202 0.536 10 10 CCCE CN(C)c1ccc(CNC(=O)[C@@]2(O)CCNC2)cc1 2126913392 PQULWZQNLBUXMP-CQSZACIVSA-N 263.341 0.093 10 10 CCCE OCc1ccc(N2CC3(C2)OC[C@@H](O)[C@@H]3O)cc1Cl 2127263145 GARVKRUJDDDNMC-NEPJUHHUSA-N 285.727 0.143 10 10 CCCE C[C@@H](NC(=O)c1ccc(O)c(O)c1)c1nc(=O)o[nH]1 2121344568 HAYMSYKKBSELNH-RXMQYKEDSA-N 265.225 0.265 10 10 CCCE CNCc1ccc(N2C[C@@H]3OC[C@H](CO)[C@@H]3C2)cc1 2121592084 KQXRVEOQMICLCQ-QEJZJMRPSA-N 262.353 0.850 10 10 CCCE Oc1cccc(F)c1CNc1nccn2nnnc12 1187677078 HSDBURLRHAKYPQ-UHFFFAOYSA-N 260.232 0.976 10 10 CCCE CC1(C)C[C@@H](O)[C@@H](O)CN1c1ccc(CN)c(F)c1 2132116271 PJNUFHLZKMXTBR-OLZOCXBDSA-N 268.332 0.995 10 10 CCCE Nc1ccc(O)c(CNC(=O)N2CCC[C@@H](O)C2)c1 1914045718 FMCXDGCAKRYPSL-LLVKDONJSA-N 265.313 0.641 10 10 CCCE COCc1ncc([C@H](NCCCN=[N+]=[N-])C(=O)O)[nH]1 1909929544 YMXFJWJKGORLFZ-VIFPVBQESA-N 268.277 0.972 10 10 CCCE [N-]=[N+]=NC[C@H]1CCN(CC(=O)NC[C@@H]2CCCO2)C1 1912175625 NZKZZANRSGOXAN-MNOVXSKESA-N 267.333 0.914 10 10 CCCE CC(C)CNC(=O)NC(=O)CN1CC(N=[N+]=[N-])C1 1912195998 IKPOWQABHAAHLM-UHFFFAOYSA-N 254.294 0.463 10 10 CCCE [N-]=[N+]=NC[C@H]1CCN(C(=O)[C@H]2CCS2(=O)=O)C1 1912161164 FVJOREYWDYLSPO-HTQZYQBOSA-N 258.303 0.332 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCN(C[C@H](O)CN2CCOCC2)C1 1912167425 KQALUOFPNIFNFV-QWHCGFSZSA-N 283.376 0.702 10 10 CCCE COC(=O)[C@](C)(CO)NC(=O)/C=C/c1ccc(O)c(O)c1 1299194671 FHAIWCMBDIKLEM-YVZNUBBCSA-N 295.291 0.151 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@H]1CC[C@H](C(=O)O)O1 222590365 IVGLVNOAJLJSTN-VXGBXAGGSA-N 279.292 0.983 10 10 CCCE O=C1CC2(CCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1917325238 SFOWQZINCGHRMR-UHFFFAOYSA-N 262.265 0.688 10 10 CCCE C[C@@H]1CN[C@@H](CO)CN1c1ccc2c(c1)OCCO2 217086803 NLMMANNOBHZSAC-GHMZBOCLSA-N 264.325 0.617 10 10 CCCE CC(=O)N1C[C@@H]([N+](=O)[O-])[C@H](c2cccc(O)c2O)C1 1614633233 FGWYDUCFEJCTDI-VHSXEESVSA-N 266.253 0.689 10 10 CCCE C[C@@H]1C(=O)NCCN1C(=O)c1ccc(N=NC(N)=O)cc1 1542861179 TYJNPTSNCXESFI-MRVPVSSYSA-N 289.295 0.810 10 10 CCCE C[S@@](=O)(CCN)=NC(=O)c1ccc(O)c(O)c1 1924683171 RZDWTSFQCXQCCG-QGZVFWFLSA-N 258.299 0.295 10 10 CCCE CN(C)C[C@@](C)(O)CNC(=O)COc1ccc(N)cc1 227870854 FYAQFFNBYYPQGF-AWEZNQCLSA-N 281.356 0.076 10 10 CCCE O=C(c1cccc(O)c1O)N1CCC[C@H](c2nn[nH]n2)C1 1623653256 CBJVGFNMPITLIB-QMMMGPOBSA-N 289.295 0.631 10 10 CCCE CC(=O)C(=O)[C@]1(O)CN(C(=O)OC(C)(C)C)C[C@H]1C 1926548901 MPHWNQSWQPBBCH-OQPBUACISA-N 271.313 0.762 10 10 CCCE CCNC(=O)C1CN(c2ccc(CO)c(OC)c2)C1 2139683673 ZMUVPRSOAYSWPR-UHFFFAOYSA-N 264.325 0.760 10 10 CCCE Cc1cccc(CNC(=O)C[C@@H]2CNCCO2)c1O 2139763039 WPUKFDSUUMSZCW-GFCCVEGCSA-N 264.325 0.695 10 10 CCCE CC1(C)CN(C(=O)COc2ccc(N)cc2)C[C@H](CO)O1 162863535 AGQBYHHWHZOYLB-CYBMUJFWSA-N 294.351 0.646 10 10 CCCE C[C@H](O)c1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CF)c(F)c1 2140661718 IKOIOGGGODEOPQ-GZFGJDTESA-N 273.279 0.759 10 10 CCCE CNC[C@@H]1CN(C(=O)c2cccc(O)c2O)CCO1 126714119 NKQFVGNYVMLJBT-SECBINFHSA-N 266.297 0.158 10 10 CCCE Cn1nnc(COC(=O)CCc2ccc(N)cc2)n1 236101573 DRJDAUGMIQOBHY-UHFFFAOYSA-N 261.285 0.468 10 10 CCCE CC1(C)NCC[C@@H]1NS(=O)(=O)Cc1ccc(N)cc1 1876417078 GKSZLKCIXWOLTG-LBPRGKRZSA-N 283.397 0.829 10 10 CCCE CC[C@@]1(NC(=O)COc2ccc(N)cc2)CCNC1 1876432014 OFUSZAYUZNUOHL-CQSZACIVSA-N 263.341 0.906 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N3C[C@@H]4C[C@H](C3)O4)cc21 1899731253 JDMXANCGLPRAPD-CWSCBRNRSA-N 259.309 0.640 10 10 CCCE OC[C@H](C[C@H]1CCOC1)NCc1ccc(O)cc1O 1883201745 LEYULSWTCSDFPX-PWSUYJOCSA-N 267.325 0.975 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3CC[C@@H](O)[C@H](F)C3)cc21 2144572531 YWRGAEYMGSBQLN-RAIGVLPGSA-N 279.315 0.572 10 10 CCCE CN1CC[C@@H](CNC(=O)Nc2ccc(N)cc2)C1=O 1968121416 JJLLGTUOFQFTLC-VIFPVBQESA-N 262.313 0.869 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NC1C[C@H]2CNC[C@@H]2C1 1971280702 YWFQDSPVZZOKQW-QWRGUYRKSA-N 276.336 0.755 10 10 CCCE C[C@H](c1cc(O)ccc1O)N1C[C@@H](C(N)=O)C[C@@H](N)C1 2151021424 KIYNNBQRXGVYOX-KXUCPTDWSA-N 279.340 0.293 10 10 CCCE CCOCC(=O)N(CC(N)=O)Cc1ccc(N)cc1 35366542 VPYQNMJXXPMNNK-UHFFFAOYSA-N 265.313 0.119 10 10 CCCE CN(C)c1ccc(CN2C[C@@H](N)C[C@@H](C(N)=O)C2)cc1 2151042140 RYARVAPLUWKBCN-OLZOCXBDSA-N 276.384 0.387 10 10 CCCE C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)Cc1ccc(N)cc1 37821508 SWGCPFSMMIFXGF-CMPLNLGQSA-N 275.352 0.924 10 10 CCCE O=[N+]([O-])c1cc(CO)ccc1N1C[C@@H]2OCCO[C@H]2C1 2149771942 ONKVHEXGRFPXCG-STQMWFEESA-N 280.280 0.691 10 10 CCCE N[C@@H](CCCCNC(=O)c1cccc(O)c1O)C(=O)O 2151562582 WARIDQXILGRNQY-VIFPVBQESA-N 282.296 0.410 10 10 CCCE CO[C@@H]1COC[C@@H]1CNC(=O)CCc1ccc(N)cc1 2154125105 ACXPTOVYJGDFAU-GXTWGEPZSA-N 278.352 0.979 10 10 CCCE O=C(CN1CCOC[C@@H](CO)C1)c1ccc(O)c(O)c1 2154478614 JHJLTXPPDIOYAY-SNVBAGLBSA-N 281.308 0.221 10 10 CCCE O=C1CC[C@@H](NCc2ccc(Cl)cc2O)C(=O)N1 2029656079 HCDHRTWEYYKQRX-SECBINFHSA-N 268.700 0.940 10 10 CCCE O=S(=O)(CC(F)F)NCCc1ccc(O)c(O)c1 2031074896 OVJGCTHCVSOPIW-UHFFFAOYSA-N 281.280 0.825 10 10 CCCE Cc1cnc(N(CC(N)=O)Cc2ccc(N)cc2)nc1 63049110 DQCLKQRTPXPNMN-UHFFFAOYSA-N 271.324 0.859 10 10 CCCE Cn1cncc1[C@@](C)(NCCCN=[N+]=[N-])C(N)=O 2038281013 AGYZLZGYCYPBGQ-SNVBAGLBSA-N 251.294 0.411 10 10 CCCE CO[C@]1(CO)CCCN(C(=O)Cc2ccc(N)cc2)C1 402905443 HDYGXAPEQYQXDN-OAHLLOKOSA-N 278.352 0.811 10 10 CCCE COc1ccc(N2CCC(O)(C(N)=O)CC2)c(N)c1 311585719 YNCSETABZPWZIJ-UHFFFAOYSA-N 265.313 0.094 10 10 CCCE CC[C@@]1(C)NC(=O)N(CC(=O)NCCCN=[N+]=[N-])C1=O 701319852 VNNHRWUMDLQRJK-LLVKDONJSA-N 282.304 0.524 10 10 CCCE COC[C@@](C)(NC(=O)Cc1ccc(N)cc1)C(=O)O 328573318 VRWZZTXSPKNLKH-CYBMUJFWSA-N 266.297 0.417 10 10 CCCE C[C@@H]1CNCCN1C(=O)NCCc1ccc(O)c(O)c1 2162086367 OMCUGDXEMRHKIF-SNVBAGLBSA-N 279.340 0.644 10 10 CCCE C[C@@H](N)c1ccc(N2CCN(CCO)C(=O)C2)c(F)c1 2171075140 XKVVSXRCIRNSHY-SNVBAGLBSA-N 281.331 0.486 10 10 CCCE Nc1ccc(OCCN=c2[nH]ccnc2C(=O)O)cc1 2162267750 HBYPWNSXVVCFOU-UHFFFAOYSA-N 274.280 0.670 10 10 CCCE COCCS(=O)(=O)CCN(C)c1ccc(CN)cc1 381742225 PJXXYAKRZKPEDF-UHFFFAOYSA-N 286.397 0.643 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CCN2CCC1CC2 2062348204 ODZAIBYAOFWSGY-UHFFFAOYSA-N 276.336 0.947 10 10 CCCE CNCc1cc(F)c(N2CC3(CNC(=O)N3)C2)c(F)c1 2177698273 JJJCXLYXCRCQEX-UHFFFAOYSA-N 282.294 0.556 10 10 CCCE O=C1Nc2cc(N3C[C@@H]4CC[C@H](C3)C4O)ccc2[C@@H]1O 2167776190 DOULJFXADJUEEO-QFJGNNLQSA-N 274.320 0.879 10 10 CCCE CN(C)c1ccc(CN(C)S(=O)(=O)N2CC(O)C2)cc1 2174805471 VBDYOINMNXHZTG-UHFFFAOYSA-N 299.396 0.106 10 10 CCCE CCC(=O)N1CCN(C(=O)Cc2ccc(O)c(O)c2)C1 1570509395 SRRFNHUBPBFNEJ-UHFFFAOYSA-N 278.308 0.679 10 10 CCCE CCN(CC(=O)N(C)C)C(=O)c1cc(O)c(O)c(O)c1 2188867779 GOXWHMDZMOKWMC-UHFFFAOYSA-N 282.296 0.354 10 10 CCCE N[C@H]1C[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)C12CCC2 2188913482 SELATYZXNDYPOW-WDEREUQCSA-N 278.308 0.803 10 10 CCCE NCc1cccc(NC(=O)c2cc(O)c(O)c(O)c2)n1 2188909910 PHICWDVDWWITQF-UHFFFAOYSA-N 275.264 0.909 10 10 CCCE C[C@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)C[C@H]1CCN 2188919087 KCJWTWYKKOBANY-DTWKUNHWSA-N 280.324 0.860 10 10 CCCE NCc1ccc(N2C[C@@H]3C[C@H](C2)[C@H](O)[C@@H]3O)c(F)c1F 2182552674 FSYSDIKDSRHGCX-LPQAMYBRSA-N 284.306 0.601 10 10 CCCE NCc1ccc(N2C[C@@H]3C[C@H](C2)[C@H](O)[C@H]3O)c(F)c1F 2182546849 FSYSDIKDSRHGCX-WAYYCVMKSA-N 284.306 0.601 10 10 CCCE C[C@H](N)c1ccc(N2CC3(C2)OC[C@H](O)[C@H]3O)c(F)c1 2183627231 OSXRMRGTOMZWIL-AQUOVQTQSA-N 282.315 0.156 10 10 CCCE OC[C@@]1(NCc2ccc(O)c(O)c2)C[C@@H](O)C12CCC2 2193970018 MSEZTHCZKTWMHP-HIFRSBDPSA-N 279.336 0.853 10 10 CCCE Oc1ccc(CN[C@H]2C[C@H](n3ccnn3)C2)c(O)c1O 2184109265 FVDMQRMDEPYJNT-MGCOHNPYSA-N 276.296 0.888 10 10 CCCE C[C@@](CN)(NC(=O)c1cccc(O)c1O)C(F)F 2043172561 YEVCCLRKEAYQKC-NSHDSACASA-N 260.240 0.810 10 10 CCCE C[C@@H]1C[C@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)[C@@H](C)CN1 2049781485 VKFMGAGVGHIJSS-OSUNSFLBSA-N 252.358 0.886 10 10 CCCE CNCc1ccc(N2CCOC[C@]2(C)CO)cc1 2049910856 BWWCGSWUPIJKMP-AWEZNQCLSA-N 250.342 0.994 10 10 CCCE C[C@@H]1CC[C@@H]([C@H](N)C(=O)C(=O)C[C@H]2C[C@H](N)C2)O1 2052478745 LGXZDLUURHKCTD-ZRVQFKMMSA-N 254.330 0.147 10 10 CCCE CCn1nnc(CN(C)C(=O)c2ccc(O)c(O)c2)n1 2197866267 LNORCVJRHZYEAZ-UHFFFAOYSA-N 277.284 0.376 10 10 CCCE Cc1ccc(O)c(CN[C@H]2CCO[C@H]2C(N)=O)c1 2053780614 QTDASKWIJPVWBL-CMPLNLGQSA-N 250.298 0.433 10 10 CCCE CCC1(CNC(=O)c2cccc(O)c2O)CNC1 2057852067 DLUIMNYFBKMCLF-UHFFFAOYSA-N 250.298 0.827 10 10 CCCE CCON(C(=O)CCOc1ccc(N)cc1)C1CNC1 2191651005 UYIWIDPQXWKJMM-UHFFFAOYSA-N 279.340 0.790 10 10 CCCE O=C(NCCC(F)(F)CO)c1ccc(O)c(O)c1 2064936088 QYJZYWCGXIWUPD-UHFFFAOYSA-N 261.224 0.845 10 10 CCCE CN(c1ccc2c(c1)CCC[C@H]2O)C(CO)CO 2065022411 NJEXMIQQHLERPH-CQSZACIVSA-N 251.326 0.846 10 10 CCCE Nc1cc2c(cc1N1CC[C@@H]3CNC[C@H]31)NC(=O)CO2 2191795634 OPAVLWMXYCTGSA-PRHODGIISA-N 274.324 0.398 10 10 CCCE C[C@@H](CC(N)=S)NC(=O)c1cc(O)c(O)c(O)c1 2068618951 VJJOFFMBHVBTEI-YFKPBYRVSA-N 270.310 0.598 10 10 CCCE COCCN(c1ccc(OC)cc1N)C1CNC1 2071648343 NEOGDCPYXYVTRM-UHFFFAOYSA-N 251.330 0.702 10 10 CCCE Nc1ccc(CC(=O)N[C@@H]2CO[C@@H]3COC[C@@H]23)cc1 2101884124 DEEMRXFHWBFKCQ-YNEHKIRRSA-N 262.309 0.341 10 10 CCCE CCOC(=O)[C@H](N)CNCc1ccc2c(c1)CCO2 2104271516 LFPDBYWJCNXFGN-GFCCVEGCSA-N 264.325 0.602 10 10 CCCE CO[C@H]1CNCC[C@]1(O)c1ccc2c(c1)CCN2C 2106799217 TUWWCXQIZZBODO-GJZGRUSLSA-N 262.353 0.875 10 10 CCCE CN1CCc2cc(N3CCC[C@@](N)(CO)C3)ccc21 2106797185 YAJSXAYBWXSXIR-HNNXBMFYSA-N 261.369 0.969 10 10 CCCE CN1CCCc2cc([C@H](N)Cn3cnnn3)ccc21 2106827563 DXZBHRCHHSZVLR-GFCCVEGCSA-N 258.329 0.756 10 10 CCCE Cc1c[nH]nc1CNC(=O)Cc1ccc(O)c(O)c1 2087724115 CJYQMHKJXNLEAC-UHFFFAOYSA-N 261.281 0.988 10 10 CCCE Cc1cc(CO)ccc1N(C)CCN(C)S(C)(=O)=O 2090793285 QFWARHSIFJZLPJ-UHFFFAOYSA-N 286.397 0.815 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3C[C@H](O)[C@@H](F)C3)c(Cl)cc21 2092827921 ATSDSLKZDNYPLF-SWPVVBRQSA-N 285.706 0.811 10 10 CCCE Cn1nnc(C(=O)[C@@H]2CCC(=O)C2=O)c1C(F)(F)F 2096692664 VHEMSIQHHFLMRP-SCSAIBSYSA-N 275.186 0.565 10 10 CCCE COc1cc(N2CC[C@H](NS(C)(=O)=O)C2)ccc1CN 2204541110 HYBKQRHFMUNINE-NSHDSACASA-N 299.396 0.282 10 10 CCCE COCC[C@@H](N)CNC(=O)c1cccc(O)c1O 2218566173 WUBPRBDZUMVYAX-MRVPVSSYSA-N 254.286 0.191 10 10 CCCE Cc1cc([C@H](C)N)ccc1N1CC[C@@](O)(C(N)=O)C1 2232094138 OPURIAMWHMHUCL-HZMBPMFUSA-N 263.341 0.441 10 10 CCCE COc1ccc(N2CC3(CNC(=O)N3)C2)c(C(=O)O)c1 2235953122 XPRKEOBZHXIIOV-UHFFFAOYSA-N 277.280 0.265 10 10 CCCE N[C@H]1CC[C@H]2CC[C@H]1N2C(=O)c1cc(O)c(O)c(O)c1 2238212153 UPUKFBVGWYQFCI-LPEHRKFASA-N 278.308 0.898 10 10 CCCE Cc1cc(N2C[C@@H](CO)C[C@H](CO)C2)ccc1CO 2228398695 BWCDPXSKRPIZJR-STQMWFEESA-N 265.353 0.914 10 10 CCCE Cc1cc([C@@H](C)O)ccc1N1CCC[C@@](O)(C(N)=O)C1 2240830443 OHWSDNAADAYXSH-ABAIWWIYSA-N 278.352 0.865 10 10 CCCE COCC[C@@H](N)C(=O)NCc1cnc(SC)s1 2248611664 OVSFYHIILNOOLX-MRVPVSSYSA-N 275.399 0.845 10 10 CCCE OC[C@@H]1CC[C@@H](CNCc2ccc(O)cc2O)OC1 2264700812 AHKGOODQJCAXDA-GWCFXTLKSA-N 267.325 0.975 10 10 CCCE Oc1cc2c(cc1O)CN([C@H]1CCONC1)CC2 2318670365 YUICKFGREBJUCG-NSHDSACASA-N 250.298 0.749 10 10 CCCE Cc1cc(CN)ccc1N1C[C@H]2C[C@H](O)[C@H](O)[C@@H]1C2 2330371770 XZYADORTIVXNPT-UQOMUDLDSA-N 262.353 0.774 10 10 CCCE C[C@H](N)c1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)cc1Cl 2332921009 XGLGDCVECOILQQ-LDICSKNTSA-N 286.759 0.262 10 10 CCCE N[C@@H]1CCc2cc(N3C[C@@H](O)[C@@H](O)[C@@H]3CF)ccc21 2333238089 VJMCRHNSDIUNCO-RQJABVFESA-N 266.316 0.513 10 10 CCCE CC(=O)c1ccc(O)c(CN2C[C@@H]3C[C@H]2[C@@H](O)[C@H]3O)c1 2354475190 YHHGNZMTWOYZCX-NZBPQXDJSA-N 277.320 0.521 10 10 CCCE Oc1c(F)cccc1CNC[C@@H]1C[C@@H]2C[C@H]1[C@H](O)[C@@H]2O 2355461211 QXPJQSSMYPHXCI-YHXLARSLSA-N 281.327 0.999 10 10 CCCE COc1cccc(CNC(=O)CC(=O)N(C)C)c1O 176149517 LKWUBHWELNYMCN-UHFFFAOYSA-N 266.297 0.495 10 10 CCCE C[C@H](NCCCS(N)(=O)=O)c1ccc(F)cc1O 62748371 PVBRFURPKGOPKR-QMMMGPOBSA-N 276.333 0.861 10 10 CCCE CN(C)CCN[C@H](CN)c1ccc(N(C)C)cc1 87912091 CWKLLXANTMJZLI-CQSZACIVSA-N 250.390 0.904 10 10 CCCE [N-]=[N+]=N[C@@H]1CO[C@H](OCc2ccccc2)[C@@H](O)[C@@H]1N 196479901 XLIKUFDISLYEQN-WYUUTHIRSA-N 264.285 0.927 10 10 CCCE C[C@H](O)[C@@H](N)c1nc(-c2ccc(O)c(O)c2)no1 235584584 HYKBEQUBMYKQQM-SSDLBLMSSA-N 251.242 0.528 10 10 CCCE C[C@@H]1C(=O)N(CC(=O)N(C)c2ccc(N)cc2)C(=O)[C@H]1C 92093342 LLVHUOXQACBVOM-UWVGGRQHSA-N 289.335 0.873 10 10 CCCE CC(=O)N(C(=O)NCCCO)c1ccc(N)cc1 244047639 TUCDQTOQMWDQJZ-UHFFFAOYSA-N 251.286 0.714 10 10 CCCE COc1cc(C(C)(C)[C@@H](O)C(=O)O)cc(O)c1O 1952723046 GTABEUFKHKNKMM-JTQLQIEISA-N 256.254 0.830 10 10 CCCE CO[C@@H]1C[C@@H](O)CN(C(=O)CCc2ccc(N)cc2)C1 2165327594 TWFCIWPOLUSVMM-ZIAGYGMSSA-N 278.352 0.810 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC[C@H]2CC[C@H](O)[C@H]1C2 721561125 QHFWTZFQMMGMMT-IEBDPFPHSA-N 278.308 0.868 10 10 CCCE CC(=O)C(=O)[C@](C)(O)[C@@H]1CCN1C(=O)OC(C)(C)C 1953608138 DVEWUCKLKZZGQK-TVQRCGJNSA-N 271.313 0.905 10 10 CCCE CN(CC(=O)NCc1c(O)cccc1F)S(C)(=O)=O 928712684 WBGCECMRAZJKSM-UHFFFAOYSA-N 290.316 0.039 10 10 CCCE O=C(O)CN1CC[C@@H](NCc2ccccc2O)C1=O 694787164 QEQKHTTVSOEQPS-SNVBAGLBSA-N 264.281 0.167 10 10 CCCE O=C(O)[C@H](c1cc(O)ccc1O)N1C(=O)CCC1=O 83480462 OYMIFHVYYGVESP-NSHDSACASA-N 265.221 0.373 10 10 CCCE C[C@@H]1C[C@]1(C)NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 704129183 SBAGQCNFGDCKNU-YACGNSKGSA-N 264.325 0.882 10 10 CCCE CN1C[C@H](CCNC(=O)c2cccc(O)c2O)CC1=O 723388151 DUMYTSYDVRXRPP-SECBINFHSA-N 278.308 0.696 10 10 CCCE O=[N+]([O-])c1ccc(N2CCC(CO)(CO)C2)cc1CO 694633700 BGJPGIKDJLCLSB-UHFFFAOYSA-N 282.296 0.268 10 10 CCCE Nc1ccnn1CC(=O)N1Cc2cccc(O)c2C1 1152573245 KFFFXTWTOWYTES-UHFFFAOYSA-N 258.281 0.713 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H](CO)C[C@@H]1CCCO1 1303693500 MUTYBKATQXNYNN-NEPJUHHUSA-N 295.335 0.687 10 10 CCCE O=C(O)C[C@H]1CN(Cc2ccc(O)c(O)c2)C[C@@H]1O 2117727601 IZGAFGBZJPOHPU-CABZTGNLSA-N 267.281 0.365 10 10 CCCE O=S1(=O)C[C@H]2[C@H](CNCc3ccc(O)c(O)c3)[C@H]2C1 2117988167 NJPDCFXZUMNKDQ-RTCCRHLQSA-N 283.349 0.478 10 10 CCCE CNS(=O)(=O)CCNCc1ccc(Cl)cc1O 1658907419 VJIFTHNYJDSVKV-UHFFFAOYSA-N 278.761 0.684 10 10 CCCE COc1ccccc1N(C)C(=O)C1=C[C@@H](O)[C@@H](N)C1 2131479006 USDGESLLDYZFNT-CMPLNLGQSA-N 262.309 0.676 10 10 CCCE CN(C)c1ccc(CN2C[C@@H](O)CC23CNC3)cc1 2130066009 MSIXHIVYTYWTDK-AWEZNQCLSA-N 261.369 0.661 10 10 CCCE O=C(NC1CC([C@@H](F)CO)C1)c1cccc(O)c1O 1906434234 PUMUWLKJUURNRW-KTOWXAHTSA-N 269.272 0.937 10 10 CCCE CC[C@@H](CC(=O)O)NC(=O)c1cc(O)c(O)c(O)c1 2132348063 CVHOQUCGVCTFAP-ZETCQYMHSA-N 269.253 0.787 10 10 CCCE CC1(C(N)=O)CN(CC(=O)Nc2ccc(N)cc2)C1 1914212471 QORLTDCEFUARAT-UHFFFAOYSA-N 262.313 0.015 10 10 CCCE CCOC(=O)[C@@]1(NCCN=[N+]=[N-])CCNC[C@@H]1OC 1912145510 IBVFSQQFHCPQCA-GXSJLCMTSA-N 271.321 0.197 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCCN(CC(=O)N2CCNC2=O)C1 1912175985 STPFPENDFYLCNM-SNVBAGLBSA-N 280.332 0.951 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN(CC(=O)N2CCOC2=O)C1 1912169156 ZGJPDLODTUIJAZ-SECBINFHSA-N 267.289 0.988 10 10 CCCE CC[C@H](C)[C@@H](NC(N)=O)C(=O)N1CC(N=[N+]=[N-])C1 1912206867 UTSKREZLRLJZAL-POYBYMJQSA-N 254.294 0.591 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3CC[C@](F)(CO)C3)cc21 1917072072 QFOLAPRBWCDWIX-TZMCWYRMSA-N 279.315 0.574 10 10 CCCE CNC(=O)N[C@@H]1CCN(C(=O)c2cccc(O)c2O)C1 1296169800 KSJDITZMHVKJKW-MRVPVSSYSA-N 279.296 0.241 10 10 CCCE Nc1ccc(O)c(CN2CCCN(CCO)CC2)c1 227231593 VCVRAXLBYJWBJE-UHFFFAOYSA-N 265.357 0.474 10 10 CCCE C[C@@H]1CNC[C@H](NC(=O)c2cc(O)nc(O)c2)C1 1922771715 MVGBHGNQPPCUCM-IONNQARKSA-N 251.286 0.221 10 10 CCCE CC(C)C[C@@H](C(N)=O)C(=O)NCc1ccc(O)c(O)c1 1622643322 LYZSOJGEJRVXFQ-JTQLQIEISA-N 280.324 0.862 10 10 CCCE COCc1noc(CNC(=O)c2cccc(O)c2O)n1 1926265838 KLWUEZAVTVGYTA-UHFFFAOYSA-N 279.252 0.557 10 10 CCCE COC[C@@]1(CO)CCN(C(=O)c2c(F)ccc(O)c2O)C1 1641572677 XFLWTCKEOKVACB-AWEZNQCLSA-N 299.298 0.708 10 10 CCCE O=C1CCN(C(=O)[C@H]2CNc3ccccc3N2)CCN1 229880973 LPAPVSBJYWHNGN-GFCCVEGCSA-N 274.324 0.241 10 10 CCCE C[C@H](NC(=O)OCCc1ccc(N)cc1)S(C)(=O)=O 2138361256 OZNXEIIDDQGOCB-SECBINFHSA-N 286.353 0.928 10 10 CCCE CC(C)[C@](C)(NC(=O)c1cc(O)nc(O)c1)C(=O)O 2139125563 PAXUENPLBBQQPW-LBPRGKRZSA-N 268.269 0.722 10 10 CCCE COc1cc(N(C)[C@H]2CCCNC2=O)ccc1CO 2139698886 OFWUMFSIMXORSJ-LBPRGKRZSA-N 264.325 0.902 10 10 CCCE COc1cc(N2C[C@H](O)[C@H](N(C)C)C2)ccc1CO 2139703343 XKSZTKCMUCDCJY-OLZOCXBDSA-N 266.341 0.299 10 10 CCCE CCNCc1ccc(N2CCOC[C@H]2C(=O)NC)c(F)c1 160150379 VGLLUGYDZYFHDR-AWEZNQCLSA-N 295.358 0.886 10 10 CCCE CN[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)CC12CC2 2140957572 LIIIJDMHVOAQMM-SECBINFHSA-N 263.297 0.317 10 10 CCCE CCNCc1cc(F)c(N2C[C@@H](O)[C@H](O)C2)c(F)c1 233522574 FEKZGYBGWSJXKX-VXGBXAGGSA-N 272.295 0.616 10 10 CCCE NS(=O)(=O)CCCNCc1ccc(Cl)cc1O 1942497536 NDRDELAMOITGHI-UHFFFAOYSA-N 278.761 0.814 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CCC[C@@H]2CNC[C@@H]21 236583096 XFQLUUZUPXGYEE-MNOVXSKESA-N 262.309 0.922 10 10 CCCE O=C(NC[C@H]1CCCCNC1=O)c1cccc(O)c1O 2144021931 ALXICZKLAANJGU-SECBINFHSA-N 278.308 0.744 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@H]2CCCC[C@H]2N)cc1 1876458882 IXJGDCKOVCDVKT-CHWSQXEVSA-N 283.397 0.958 10 10 CCCE CNCCN(C)S(=O)(=O)N[C@H](C)c1ccccc1O 1877596385 UVCKPPDVPKLESL-SNVBAGLBSA-N 287.385 0.439 10 10 CCCE O=C(O)[C@H]1C[C@@H](NCc2ccc(O)cc2O)CCO1 1880040889 IDGYEJVMOSJZDQ-JOYOIKCWSA-N 267.281 0.820 10 10 CCCE C[C@H](N)c1ccc(N2C[C@@H]3CS(=O)(=O)C[C@H]3C2)cc1O 2144166401 HVABBAJVHHVSIN-HBNTYKKESA-N 296.392 0.893 10 10 CCCE CCn1nnnc1CNCCc1ccc(O)c(O)c1 1885436586 FBDRROCDZBKKHC-UHFFFAOYSA-N 263.301 0.437 10 10 CCCE Nc1ccc(NC(=O)CN2CCn3nccc3C2)cc1 2144740088 OKDMIEHMJOHALI-UHFFFAOYSA-N 271.324 0.920 10 10 CCCE NC(=O)CO[C@H]1CCCN(Cc2cc(N)ccc2O)C1 2145375405 OFPGRNZVTRRUDQ-LBPRGKRZSA-N 279.340 0.441 10 10 CCCE C[C@@H]1NCCC[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 1971875225 BMPMVMSRWVXHLN-ONGXEEELSA-N 264.325 0.897 10 10 CCCE CCNCc1ccc(N2CCOC[C@@H]2[C@H](O)CO)cc1 2146334655 PISBALCBRXSLPT-HUUCEWRRSA-N 280.368 0.355 10 10 CCCE COC(=O)[C@@]1(c2ccccc2O)COCCCN1 261338918 FRWSWABILZPCNK-ZDUSSCGKSA-N 251.282 0.770 10 10 CCCE O=C(N[C@H]1CCC[C@H]1O)c1cc(O)c(O)c(O)c1 170190502 OBQNDVFKLGWTNL-JGVFFNPUSA-N 253.254 0.447 10 10 CCCE NC1CC2(CCCCN2C(=O)c2cc(O)nc(O)c2)C1 2153178683 AHQNTODEDBLCCL-UHFFFAOYSA-N 277.324 0.979 10 10 CCCE CO[C@@H]1COC[C@H]1CNC(=O)CCc1ccc(N)cc1 2154125108 ACXPTOVYJGDFAU-TZMCWYRMSA-N 278.352 0.979 10 10 CCCE O=C(N=c1ccs[nH]1)c1cc(O)c(O)c(O)c1 2015075479 SBHOOVHCYRYTDV-UHFFFAOYSA-N 252.251 0.934 10 10 CCCE C[C@H]1C[C@@H](CO)CN1c1cc2c(cc1N)OCC(=O)N2 2156547926 BFXIXGBCBNWXRO-DTWKUNHWSA-N 277.324 0.807 10 10 CCCE CS(=O)(=O)N1CCN(Cc2ccc(F)cc2O)CC1 294846932 IKPDVWAFGUXFID-UHFFFAOYSA-N 288.344 0.609 10 10 CCCE CO[C@H]1CN(CCOc2ccc(N)cc2)C[C@@H]1OC 300102131 XIMQBKHBHRZKMX-KBPBESRZSA-N 266.341 0.993 10 10 CCCE 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O=C(CN1CCC(=O)NC1=O)NCc1c(O)cccc1F 928706131 RKODAQBYRNCLKY-UHFFFAOYSA-N 295.270 0.089 10 10 CCCE NCC12CC(CN1C(=O)NCCc1ccc(N)cc1)C2 851663450 ZRHIIGIMQPWVSP-UHFFFAOYSA-N 274.368 0.944 10 10 CCCE C[C@H]1COC[C@@H]1NC(=O)COc1ccc(N)cc1 699485481 OKGCLOSWMLSUTA-CABZTGNLSA-N 250.298 0.799 10 10 CCCE CN(C)c1ccc(/C=C\CN2C[C@H](O)[C@@H](O)C2)cc1 862445941 JIDOABKPNOPFHU-CGXNLCPXSA-N 262.353 0.803 10 10 CCCE CC(=O)C(=O)COC(=O)c1ccc([C@H]2CCC(=O)N2)cc1 884834893 GTXWLJVKEKDTQM-GFCCVEGCSA-N 289.287 0.953 10 10 CCCE N[C@H](c1nnc(CCC(=O)O)o1)c1ccccc1O 83458113 IDDRFIBBFYXMDE-NSHDSACASA-N 263.253 0.841 10 10 CCCE CCOc1cccc(CNCC2CS(=O)(=O)C2)c1O 701912535 JUURSYBUDXRWKC-UHFFFAOYSA-N 285.365 0.925 10 10 CCCE CCNCc1ccc(N2CC(NS(C)(=O)=O)C2)cc1C 703163698 MVCYQSFUTUJQRZ-UHFFFAOYSA-N 297.424 0.842 10 10 CCCE C[C@@H](CNC(=O)COc1ccc(N)cc1)S(C)(=O)=O 704556712 JSAACINUNVPSET-VIFPVBQESA-N 286.353 0.197 10 10 CCCE O=C(O)C1(CS(=O)(=O)Nc2ccc(O)cc2)COC1 688967082 GNZALOIMSWCVAB-UHFFFAOYSA-N 287.293 0.235 10 10 CCCE C[C@H](C(=O)Nc1ccc(N)cc1)N1C[C@@H](O)C[C@@H]1CO 698117830 WLKDPPJGOOJQLC-WQAKAFBOSA-N 279.340 0.023 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3CC([S@@](C)=O)C3)ccc21 2115315096 XSPXAJNMOXCEIE-HXPMCKFVSA-N 279.365 0.466 10 10 CCCE Oc1ccc(CN[C@@]23CC[C@@H](C2)[C@H](O)[C@@H]3O)c(O)c1 2120395925 WYLNNWFOPJJYFW-GZBPVQSJSA-N 265.309 0.462 10 10 CCCE C/C=C/C[C@H](NC(=O)c1cc(O)nc(O)c1)C(=O)O 2120691541 JMBMXORSZXHIFU-SGJFDWMWSA-N 266.253 0.642 10 10 CCCE COCCN1C[C@H](O)[C@H](N2CCC[C@@H]2CN=[N+]=[N-])C1 2123014251 FAZLKUFUVAZIPF-UTUOFQBUSA-N 269.349 0.453 10 10 CCCE O=C1CO[C@@H]2CCN(c3ccc(CO)cc3)C[C@@H]2N1 2129061991 UBXCDBODKCMAMN-QWHCGFSZSA-N 262.309 0.273 10 10 CCCE Cc1cc(CN)ccc1N1CCN2CCOC[C@@H]2C1 2129377968 JJNIOJRYSCLYGX-AWEZNQCLSA-N 261.369 0.975 10 10 CCCE CC[C@@H]1NCC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2132402603 ZRDBDGYULNODGP-IUCAKERBSA-N 266.297 0.674 10 10 CCCE O=C(NCCC1CS(=O)(=O)C1)NCc1ccccc1O 1343416184 YOKIPSOUENWTMP-UHFFFAOYSA-N 298.364 0.626 10 10 CCCE C[C@@H](NC(=O)C=Cc1ccc(N(C)C)cc1)C(N)=O 1911797574 NSYMAVKZGOSXGQ-SNVBAGLBSA-N 261.325 0.756 10 10 CCCE [N-]=[N+]=N[C@@H]1CCN(C(=O)[C@H]2CCCS(=O)(=O)C2)C1 1912173102 YXDDVVPLHIJQTA-DTWKUNHWSA-N 272.330 0.722 10 10 CCCE Cc1c(C(=O)N2CC[C@@H](N=[N+]=[N-])C2)cnc2ncnn12 1912207613 XVTRCKXOFKSVTB-MRVPVSSYSA-N 272.272 0.958 10 10 CCCE CN(Cc1ccc(N)cc1)S(=O)(=O)N1CCC(O)CC1 1914163121 MVMGWIYNBZPQNK-UHFFFAOYSA-N 299.396 0.402 10 10 CCCE CN1C(=O)[C@@H](O)c2ccc(N3CCC4(COC4)C3)cc21 1915334679 UJTNEKQAVFGJNX-ZDUSSCGKSA-N 274.320 0.923 10 10 CCCE C[C@@H](O)c1ccc(N(C)[C@H]2CCNC2=O)cc1O 1916795376 PLIUXYKOIVEDOB-KCJUWKMLSA-N 250.298 0.770 10 10 CCCE CN(c1c(F)cc(CN)cc1F)[C@@H]1CCNC1=O 1916801630 VEOIWFAFACVIEV-SNVBAGLBSA-N 255.268 0.748 10 10 CCCE C[C@]1(CNC(=O)Cc2ccc(N)cc2)CCNC1=O 2136085119 NRBDNFBLYWRYPX-CQSZACIVSA-N 261.325 0.454 10 10 CCCE CN(Cc1nc(=O)o[nH]1)C(=O)/C=C/c1ccc(O)c(O)c1 1469449485 GFMJRVBYZDYSFF-HWKANZROSA-N 291.263 0.446 10 10 CCCE CNC(=O)Cc1noc(CN[C@H](C)c2ccccc2O)n1 1620504119 JKYSMRWKWQBPTR-SECBINFHSA-N 290.323 0.915 10 10 CCCE NC(=O)C1(C(=O)NCc2cc(O)ccc2O)CCC1 1558174083 DBNDJDDHDMKXFJ-UHFFFAOYSA-N 264.281 0.370 10 10 CCCE C[C@H](NC(=O)Cn1nnc(N)n1)c1ccc(N(C)C)cc1 1633315176 HBCWJPKFEYEHNF-VIFPVBQESA-N 289.343 0.199 10 10 CCCE COc1ccc(C(=O)NCc2cc(O)ccc2O)nn1 1633595374 TWLIWNNGAAODDF-UHFFFAOYSA-N 275.264 0.826 10 10 CCCE C[C@@H]1CN(C(=O)COc2ccc(N)cc2)CC(=O)N1C 1926027936 VTJWNHDVICLQAD-SNVBAGLBSA-N 277.324 0.337 10 10 CCCE C=CC(=O)NCCC(=O)NCc1c(O)cccc1F 1646034502 KIHSJKITRNYUNF-UHFFFAOYSA-N 266.272 0.840 10 10 CCCE Nc1ccc(OCC(=O)N2C[C@H]3[C@@H](O)CC[C@H]3C2)cc1 123019263 SMUVJUNNYWUTHI-GDLCADMTSA-N 276.336 0.877 10 10 CCCE CN1CCN(c2ccc3c(c2)OCO3)[C@@H](CCN)C1 250377617 LBQCIWITGPPEEJ-LBPRGKRZSA-N 263.341 0.885 10 10 CCCE C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1cccc(O)c1O 126330079 HKMLUMSEQQGRCE-IUCAKERBSA-N 278.308 0.824 10 10 CCCE CO[C@H]1CCN(C(=O)c2cccc(O)c2O)[C@H](CN)C1 126726668 QUAIERLCYWHZQJ-UWVGGRQHSA-N 280.324 0.676 10 10 CCCE C[C@@H]1[C@@H]2CNC[C@@H]2CN1C(=O)c1ccc(O)c(O)c1 235460326 UVJPFLNMWFGLJC-IEBDPFPHSA-N 262.309 0.778 10 10 CCCE C[C@H](NCc1ccc(O)c(O)c1O)C(=O)NC1CC1 235508731 OJBXBDWKHHKYSB-ZETCQYMHSA-N 266.297 0.560 10 10 CCCE NC(=O)N1CC(CNCc2cc3c(cc2O)OCO3)C1 1875456106 VTIBDDXTWBTYDA-UHFFFAOYSA-N 279.296 0.221 10 10 CCCE CNC[C@@H]1CN(C(=O)Cc2ccc(N)cc2)CCO1 1876476949 CPLWGUMQYKKNFI-CYBMUJFWSA-N 263.341 0.258 10 10 CCCE NC[C@H]1C[C@@H](NC(=O)Cc2ccc(N)cc2)CCO1 1876457790 YNOHYBJHKXNLTP-QWHCGFSZSA-N 263.341 0.434 10 10 CCCE NC(=O)[C@H]1CCN(C(=O)CCOc2ccc(N)cc2)C1 236258669 AMYJFZKCIUMBSX-JTQLQIEISA-N 277.324 0.372 10 10 CCCE COc1cccc(CNCCOCCCO)c1O 1323979895 FBVGEENPNBODAU-UHFFFAOYSA-N 255.314 0.889 10 10 CCCE CN(Cc1ccccc1O)C[C@H]1CCS(=O)(=O)N1C 1966159257 RGDKANURJYLLSM-GFCCVEGCSA-N 284.381 0.858 10 10 CCCE NC1C[C@@H]2CCC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1 2145459734 ATVVRKLCCWKYJQ-FGWVZKOKSA-N 277.324 0.977 10 10 CCCE NC[C@H](CNC(=O)Cc1ccc(O)c(O)c1)C(F)(F)F 1972349132 JPYRRYXVHDFEQF-MRVPVSSYSA-N 292.257 0.894 10 10 CCCE O=C(NCC1CCS(=O)(=O)CC1)c1ccc(O)c(O)c1 2146111184 ROVVROHHIINTPU-UHFFFAOYSA-N 299.348 0.652 10 10 CCCE CO[C@@H](C)CCS(=O)(=O)N(C)CCN=[N+]=[N-] 1979019734 PCLAUQPKRNXSOT-QMMMGPOBSA-N 250.324 0.983 10 10 CCCE CS(=O)(=O)c1ccc([C@@H](N)CCC(=O)O)c(O)c1 258390512 DFUOGBKLHCIUDK-VIFPVBQESA-N 273.310 0.660 10 10 CCCE Nc1ccc(OCCN2C[C@]3(CO)C[C@@]3(CO)C2)cc1 2146310740 LWFBJOOYSRVYNN-GJZGRUSLSA-N 278.352 0.324 10 10 CCCE NCc1ccc(N2CC(NC(N)=O)C2)cc1Cl 1999568070 LLSIUTFAFRNHQE-UHFFFAOYSA-N 254.721 0.656 10 10 CCCE Cc1ccc(N(CC(N)=O)Cc2ccc(N)cc2)nn1 41074898 IQIXAAHQOCMLBX-UHFFFAOYSA-N 271.324 0.859 10 10 CCCE NC(=S)[C@@H]1COCCN1C(=O)c1ccc(O)c(O)c1 700210957 LFFIJGMMQIFCJT-QMMMGPOBSA-N 282.321 0.225 10 10 CCCE C[C@H]1CN[C@H]1C(=O)NCCc1ccc(O)c(O)c1 2038131147 LXDHFBDWXUSQTJ-QPUJVOFHSA-N 250.298 0.364 10 10 CCCE C[C@H]1C[C@H](NC(=O)[C@@H](N)Cc2ccc(O)c(O)c2)CO1 402013574 BXWUTDGZBYANKS-LSJOCFKGSA-N 280.324 0.261 10 10 CCCE O=C(NC[C@@H](CC1CC1)C(=O)O)c1cc(O)nc(O)c1 405229250 FOQPVUFUAHMQII-SECBINFHSA-N 280.280 0.724 10 10 CCCE CS(=O)(=O)CCC(=O)N1CCC[C@H]1CN=[N+]=[N-] 701282698 WATVSFBSIRPIQU-QMMMGPOBSA-N 260.319 0.722 10 10 CCCE COc1cnn(C[C@H](O)COc2ccc(N)cc2)c1 311408868 XXAKMRGZGWFOOA-NSHDSACASA-N 263.297 0.914 10 10 CCCE CCCN(CC(N)=O)C[C@@H](O)COc1ccc(N)cc1 312957513 IVDZORQJQMVBFH-GFCCVEGCSA-N 281.356 0.206 10 10 CCCE NCc1ccc(N2CC[C@@](O)(CO)C2)c(Cl)c1 313650640 DQKRKVDNADTCFH-LBPRGKRZSA-N 256.733 0.732 10 10 CCCE CN1CCC[C@H](NCc2cccc(O)c2O)C1=O 704388329 UINMBJUDPKEQPN-JTQLQIEISA-N 250.298 0.808 10 10 CCCE C[C@H](O)c1ccc(N(C)[C@H]2COC[C@H]2O)cc1O 708712786 JXGXIQIUWPBSMZ-LJUAHTATSA-N 253.298 0.641 10 10 CCCE CCCN(C(=O)CNS(C)(=O)=O)c1ccc(N)cc1 381852744 LMBISFJFHQJTPD-UHFFFAOYSA-N 285.369 0.561 10 10 CCCE C[C@@H]1[C@@H](C(=O)O)CCCN1C(=O)c1cc(O)nc(O)c1 384420698 SZDAZQFFZMAUHU-APPZFPTMSA-N 280.280 0.818 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N3C[C@H]4C[C@H]3CO4)ccc21 387245087 CULSXVWYECNDAY-OPQQBVKSSA-N 259.309 0.877 10 10 CCCE CCOc1cccc(CNCCc2nc(=O)o[nH]2)c1O 392162890 TWTKTMUCKBYZNV-UHFFFAOYSA-N 279.296 0.800 10 10 CCCE Cn1nnc2c1CCN(CCOc1ccc(N)cc1)C2 2170407829 WXBKNQOWEKTJJR-UHFFFAOYSA-N 273.340 0.834 10 10 CCCE COC(=O)c1cccc(N)c1N[C@H]1CCOC[C@H]1CO 2193250338 CQQWMOPRZKBELG-SKDRFNHKSA-N 280.324 0.865 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CC[C@H](O)[C@H]1C1CC1 2188867611 DFDWDRRPWKKNFQ-JOYOIKCWSA-N 279.292 0.789 10 10 CCCE C[C@]12CNC[C@@H]1CN(C(=O)c1cc(O)c(O)c(O)c1)C2 2188919675 OQHQQGIDBPPSJB-YMTOWFKASA-N 278.308 0.485 10 10 CCCE C[C@]1(O)CCN(c2ccc([N+](=O)[O-])c(CO)c2)C[C@H]1O 2197967142 PGUKIJFLNNDHGH-OLZOCXBDSA-N 282.296 0.409 10 10 CCCE O[C@H]1CCc2cc(N3C[C@@H]4C[C@H]3[C@@H](O)[C@H](O)C4)ccc21 2184734327 RDLYIVYCWIJLFD-AKHZKOQFSA-N 275.348 0.987 10 10 CCCE C[C@@H](O)CN(CCc1ccc(N)cc1)C[C@@H](C)O 2041728394 IQXOJCUDBGJNQA-VXGBXAGGSA-N 252.358 0.875 10 10 CCCE Cc1cc(N2CC[C@H]3OCC(=O)N[C@H]3C2)ccc1CN 2185521236 HUENJGFPUFNWSM-UONOGXRCSA-N 275.352 0.547 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)[C@]23CCC[C@H]2CNC3)C1 2049787349 XHEKIJLEIWJAGC-RMIALFOJSA-N 250.342 0.642 10 10 CCCE C[C@@H](O)[C@@H](CO)NCc1ccc2c(c1)CCN2C 2053797045 DYPRHPACUKXRGD-ZWNOBZJWSA-N 250.342 0.510 10 10 CCCE CO[C@@H]1C[C@H](CN)N(C(=O)COc2ccc(N)cc2)C1 2191714093 KTFXABSHQIWFOM-DGCLKSJQSA-N 279.340 0.222 10 10 CCCE O=C1Nc2cc(N3CCn4nncc4C3)ccc2[C@H]1O 2186624229 NUDKKIRUGSWBHW-GFCCVEGCSA-N 271.280 0.284 10 10 CCCE CO[C@@H]1CS(=O)(=O)C[C@@H]1N1CCC[C@@H]1CN=[N+]=[N-] 2059051563 OOHMZJLNSXZEPZ-KXUCPTDWSA-N 274.346 0.573 10 10 CCCE COC[C@@H]1C[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2068622386 WVKDBZHKDSMJOZ-JGVFFNPUSA-N 253.254 0.568 10 10 CCCE CNC(=O)NCCCNC(=O)Nc1ccc(N)cc1 2102871619 ZQOYILXIZVRONZ-UHFFFAOYSA-N 265.317 0.709 10 10 CCCE C[C@@H]1CN(S(=O)(=O)Nc2ccc(O)c(F)c2)CCN1 2103306308 ZJDPYMZLADZWAE-MRVPVSSYSA-N 289.332 0.482 10 10 CCCE O=S1(=O)C[C@H]2C(NCc3ccc(F)cc3O)[C@@H]2C1 2084175680 IEQTYBKYGSQBAF-NXEZZACHSA-N 271.313 0.664 10 10 CCCE COc1cccc(O)c1CN1CCO[C@H]2CNC[C@H]21 2104436762 BPLALCOEMSXBFK-RISCZKNCSA-N 264.325 0.573 10 10 CCCE N[C@@H]1C[C@]2(C(=O)NCCc3ccc(O)c(O)c3)C[C@@H]12 2104726885 WMZKHZBEQPIIHQ-IMSIIYSGSA-N 262.309 0.494 10 10 CCCE Nc1ccc(CNC(=O)[C@@H]2CC(C(=O)O)=NO2)cc1 2105961817 XMVYTNRZJDDTFI-JTQLQIEISA-N 263.253 0.115 10 10 CCCE CC[C@]1(NC(=O)c2cc(O)nc(O)c2)CCCNC1 2088177579 WTQFGLPSTZBZKQ-ZDUSSCGKSA-N 265.313 0.755 10 10 CCCE CO[C@H]1CN(C)C[C@H]1Nc1c(N)cccc1C(N)=O 2095425649 CZNGMJMCVVXBBS-MNOVXSKESA-N 264.329 0.109 10 10 CCCE CNC[C@]1(C)CN(CCc2ccc(O)c(O)c2)C1=O 2095552583 AXNMZBFDZKGBSJ-CQSZACIVSA-N 264.325 0.708 10 10 CCCE O=C(O)[C@H]1C[C@H](F)CN1C(=O)c1cc(O)nc(O)c1 2095591133 IQCDMELJRSBFDV-NKWVEPMBSA-N 270.216 0.130 10 10 CCCE CN1CCc2cc([C@@H](N)CS(=O)(=O)N(C)C)ccc21 2098460186 IZPRUSDILKVMOU-LBPRGKRZSA-N 283.397 0.570 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1C[C@@H]2NCC[C@@H]21 2098553906 DCAYHEBPSPAURC-GARJFASQSA-N 262.309 0.507 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@H]2C[C@@H]3C[C@H](N)[C@H]3C2)cc1 2201995423 FYEGNNWAGQXCGS-ZZVYKPCYSA-N 295.408 0.814 10 10 CCCE [N-]=[N+]=N[C@@H]1CCCN(C[C@H](O)CN2CCCC2=O)C1 2113451164 AGASPSXGHHTURG-MNOVXSKESA-N 267.333 0.744 10 10 CCCE Nc1ccc(CC(=O)N2CC[C@@H](OCCCO)C2)cc1 2207094109 UKOYJOUQXFTOSC-CQSZACIVSA-N 278.352 0.811 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NCCC1(O)CC1 2219930516 SAYIIIGXMPMCOA-UHFFFAOYSA-N 251.282 0.672 10 10 CCCE Cc1cc([C@H](C)O)ccc1N1C[C@H]2C[C@H]1[C@H](O)[C@H]2O 2232098217 LKGFCMLGXQHUAV-HJEZBXKGSA-N 263.337 0.979 10 10 CCCE Cc1cc([C@@H](C)N)ccc1N1CC(OCC(N)=O)C1 2232092759 YAYHRILULHDGMP-SNVBAGLBSA-N 263.341 0.705 10 10 CCCE COc1ccc(N2CCN3C[C@@H](O)C[C@@H]3C2)cc1OC 2235119859 AYMBKOJMHQLPTO-OLZOCXBDSA-N 278.352 0.959 10 10 CCCE COc1ccc(N2CCN(CCO)C(=O)C2)c(C=O)c1 2236005032 QXSHLGVNLHNYNL-UHFFFAOYSA-N 278.308 0.149 10 10 CCCE OC[C@@H]1NC[C@H]2CN(c3ccc4c(c3)CCO4)C[C@@H]21 2227328919 RPPVHHWQWKXLPN-UBHSHLNASA-N 260.337 0.638 10 10 CCCE Cc1cc(N2CC[C@@H]2[C@@H](O)CO)ccc1[C@H](C)O 2258330086 SEALQGJVCWFXNS-GDLCADMTSA-N 251.326 0.980 10 10 CCCE Cc1cc(N2CC(O)(C(F)(F)CO)C2)ccc1CO 2272873920 LIRXRDCJDCDSGY-UHFFFAOYSA-N 273.279 0.666 10 10 CCCE CCNC(=O)C[C@@H](CN)N(C)c1ccc(OC)cc1 2264349486 GGGDKLWJURVUPY-LBPRGKRZSA-N 265.357 0.985 10 10 CCCE O=C(NCCN1CC[C@@H]2C[C@@H]21)c1cccc(O)c1O 2274504213 OMRSSZXWTKZJKT-KOLCDFICSA-N 262.309 0.922 10 10 CCCE COc1ccc(N2C[C@@H](N)C[C@@H](O)C2)c(OC)c1C 2278034886 RRQMBVHTRLDCEL-WDEREUQCSA-N 266.341 0.911 10 10 CCCE COC1(C(N)=O)CN(c2ccc([C@H](C)O)c(C)c2)C1 2269688487 NIOKJPNXMZNUQF-JTQLQIEISA-N 264.325 0.739 10 10 CCCE CN[C@@H](C)c1ccc(N2CCOC[C@@H]2C(N)=O)cc1C 2285134378 RONCLBKMWYFGSO-SMDDNHRTSA-N 277.368 0.966 10 10 CCCE Cc1cc(N2CC3(CNC(=O)CO3)C2)ccc1[C@H](C)N 2289725269 QSPUMEODPLLZAZ-NSHDSACASA-N 275.352 0.720 10 10 CCCE [N-]=[N+]=NCCCN[C@H](C(N)=O)[C@H]1[C@@H]2CCOC[C@@H]21 2310334526 XOLSRRCFFYQQKG-KATARQTJSA-N 253.306 0.413 10 10 CCCE CNCc1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CF)c(Cl)c1 2333236708 VJJVVUTTZHNHJI-XQQFMLRXSA-N 288.750 0.939 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)[C@H]1C[C@@H]2CNC[C@@H]21 2355450137 LOLMHARSPSDOPS-WOPDTQHZSA-N 276.336 0.612 10 10 CCCE CCNC(=O)NC(=O)[C@@H](C)Oc1ccc(N)cc1 20388018 OYKKBBYLQUHZNB-MRVPVSSYSA-N 251.286 0.882 10 10 CCCE COc1ccc(CN[C@H]2CC(=O)N(C)C2)c(O)c1 311193907 FNCMRFWHIYXARY-JTQLQIEISA-N 250.298 0.721 10 10 CCCE C[C@@H](C(=O)Nc1ccc(N)cc1)N(C)[C@H](C)CO 122253926 PATKQELLRZGUCZ-ZJUUUORDSA-N 251.330 0.908 10 10 CCCE C[C@H](CNC(=O)c1cccc(O)c1O)N1CCOCC1 186904405 FCBMLZBIRCSULN-SNVBAGLBSA-N 280.324 0.548 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCCc1cnc[nH]1 87544698 UMJCTZBBHBYPTI-NSHDSACASA-N 290.323 0.050 10 10 CCCE O=C(O)[C@@H]1CN(C(=O)c2ccc(O)c(O)c2)CCO1 236437259 SRGLOGBVOSIKHE-JTQLQIEISA-N 267.237 0.023 10 10 CCCE NCCC1(CNC(=O)c2cccc(O)c2O)CC1 97908334 VIOLRLJQNHWDNC-UHFFFAOYSA-N 250.298 0.957 10 10 CCCE CC1(C)[C@H](N)C[C@H]1NC(=O)c1ccc(O)c(O)c1 232814422 SPPOBHSLPPTIRI-GHMZBOCLSA-N 250.298 0.953 10 10 CCCE C[C@@H](NC(=O)c1ccc(O)c(O)c1)[C@@H]1CCNC1 235198040 NNSPGGDKEVWDAB-PSASIEDQSA-N 250.298 0.826 10 10 CCCE O=C(O)CCN1CCNCc2cc3c(cc21)OCCO3 527431821 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CCCE CN(C)c1ccc(CN2CC[C@@H](O)[C@@H](O)C2)cc1 877749189 PYQPKFUORUXPCC-KGLIPLIRSA-N 250.342 0.680 10 10 CCCE COc1cc2c(cc1OC)N1CCNC[C@H]1C(=O)N2 71494892 JYOABVTVZDXGSR-JTQLQIEISA-N 263.297 0.434 10 10 CCCE C[C@H]1[C@H](CO)CCN1C(=O)Cc1ccc(O)c(O)c1 1568204392 ZUJUMGGYTZXRDV-ONGXEEELSA-N 265.309 0.870 10 10 CCCE COC(=O)[C@]1(O)CCN(Cc2c(C)cccc2O)C1 895702546 QGNYSQXSNIZORF-AWEZNQCLSA-N 265.309 0.810 10 10 CCCE Cc1cccc([C@@H](N)c2nnc([C@H](O)C(=O)O)o2)c1O 83588002 RFUUGRUYEUZEIQ-APPZFPTMSA-N 279.252 0.250 10 10 CCCE Cc1cc2c(cc1N1CCO[C@@H](CN)C1)OCO2 84584918 MSCWMVSVUQCUJU-JTQLQIEISA-N 250.298 0.888 10 10 CCCE CON(C)C(=O)CN[C@H](C)c1c(O)cccc1O 397549859 UDLWDLIWUWQYIS-MRVPVSSYSA-N 254.286 0.768 10 10 CCCE CC[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)CCC1=O 701226560 VERBKRDIHXLJQH-MRVPVSSYSA-N 264.281 0.934 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)c1cc(O)nc(O)n1 691688815 KHSWDIHZRNVWLA-LURJTMIESA-N 264.245 0.803 10 10 CCCE OCC1(CNCc2cc3c(cc2O)OCO3)COC1 717592992 GHNUMSNWGBBZCT-UHFFFAOYSA-N 267.281 0.219 10 10 CCCE CN(C)c1ccc(N)c(OCCN2C(=O)CNC2=O)c1 695237293 SLFAQXRRFZXIIA-UHFFFAOYSA-N 278.312 0.265 10 10 CCCE CNCc1ccc(N2C[C@H](O)C[C@@H]2CN(C)C)cc1 97247627 NTEZDXJUGBOXSY-HUUCEWRRSA-N 263.385 0.907 10 10 CCCE C[C@@H]1C(=O)N(C)CN1C(=O)Cc1ccc(O)c(O)c1 1300262681 GADZTECVGBYNQS-MRVPVSSYSA-N 264.281 0.287 10 10 CCCE NCc1ccc(N2C[C@@H]3C[C@H](C2)[C@H](O)[C@H]3O)c(Cl)c1 2126151318 VNPOWPBGFWYAFW-DJBIQUGXSA-N 282.771 0.977 10 10 CCCE CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@@H]1CN=[N+]=[N-] 2123013538 AEEPEMCKFRDUFB-RKDXNWHRSA-N 268.321 0.995 10 10 CCCE O=C(C(=O)N1Cc2cccc(O)c2C1)N1CCOCC1 1330379783 PGPWVJWRALXTET-UHFFFAOYSA-N 276.292 0.093 10 10 CCCE Nc1ccc(CS(=O)(=O)NCCc2ccno2)cc1 2129913053 KPONFSBJSJVHHU-UHFFFAOYSA-N 281.337 0.919 10 10 CCCE C[C@@H](C(=O)O)N1CC(NCc2c(O)cccc2F)C1 2131773423 KDRLBIMJCMLFLJ-QMMMGPOBSA-N 268.288 0.778 10 10 CCCE O=C(N[C@@H]1CC12CC(O)C2)c1cc(O)c(O)c(O)c1 2132348587 OPEMDTQWSDXMLA-OILJVLCYSA-N 265.265 0.447 10 10 CCCE CN(C)[C@H]1CCN(C[C@@H](O)COc2ccc(N)cc2)C1 220029786 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Nc1ccc(CS(=O)(=O)Nc2ccc(=O)[nH]n2)cc1 227881683 IYINMTTWRCABPJ-UHFFFAOYSA-N 280.309 0.294 10 10 CCCE Cn1cc(C(=O)NCc2ccc(O)c(O)c2)nc1O 1566358518 FGZRXGGGMNLLKH-UHFFFAOYSA-N 263.253 0.467 10 10 CCCE C[C@H](NC(=O)[C@H]1CNc2ccccc2N1)C(=O)N(C)C 229878859 IZDMZZVBQNDWNP-JOYOIKCWSA-N 276.340 0.486 10 10 CCCE COc1cc(N2C[C@H](O)C[C@@H](OC)C2)ccc1CN 2139688322 QWIQLNSYTLAMEQ-CHWSQXEVSA-N 266.341 0.740 10 10 CCCE [N-]=[N+]=NCCCN[C@@]1(C(N)=O)CCN2CCCC[C@H]21 169140364 SMRDBQKAIWWWDM-JQWIXIFHSA-N 266.349 0.759 10 10 CCCE COc1cccc(N2NC(=O)[C@@H](CC(=O)O)C2=O)c1 106665672 KOTWNTXYIXYMGZ-SECBINFHSA-N 264.237 0.164 10 10 CCCE CN(C[C@@H](N)CN)c1ccc2c(c1)OCCCO2 259178442 WCKLHGPCQDWFQJ-JTQLQIEISA-N 251.330 0.570 10 10 CCCE O=C(c1cccc(O)c1O)N1CCO[C@@H]2COCC[C@H]21 2143790163 NVFWOOXBRCQCKD-ZYHUDNBSSA-N 279.292 0.728 10 10 CCCE Nc1ccc(OCC(=O)N[C@@H]2CCNC[C@@H]2F)cc1 1876522579 CIAKCFAYMVRVSG-NWDGAFQWSA-N 267.304 0.464 10 10 CCCE C[C@@H]1CCN(S(=O)(=O)Cc2ccc(N)cc2)C[C@@H]1N 1876540241 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Nc1ccc(NC(=O)CN2C(=O)CCCC2=O)cc1 35327194 NGXMKYUGLIUVLP-UHFFFAOYSA-N 261.281 0.746 10 10 CCCE Cn1ccnc1CCNC(=O)COc1ccc(N)cc1 40638479 YNSQMYRJELSTTP-UHFFFAOYSA-N 274.324 0.740 10 10 CCCE CSC1CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2015122482 KZCBXWUCLWAONW-UHFFFAOYSA-N 255.295 0.991 10 10 CCCE O=S1(=O)CC[C@H]2CN(c3ccc(CO)cc3)C[C@H]21 2028402171 IWQODMNGQRQOPS-WCQYABFASA-N 267.350 0.802 10 10 CCCE C[C@@H](O)c1ccc(N2C[C@H](CO)C[C@H]2CO)cc1 2029385384 QBMWXAYIFKZSGS-GYSYKLTISA-N 251.326 0.919 10 10 CCCE O=C(N[C@H](CO)C(F)(F)F)c1cc(O)nc(O)c1 2030007582 PTJFJJWMZNFFTF-RXMQYKEDSA-N 266.175 0.146 10 10 CCCE COc1cccc(O)c1CN1C[C@@H](N)C[C@H](C(N)=O)C1 2160728071 GOEHFHRUZXHTMW-UWVGGRQHSA-N 279.340 0.035 10 10 CCCE C[C@@H]1C[C@@H](O)CN(C(=O)c2cc(O)nc(O)c2)C1 401590751 QWUPBLVAXQAXCZ-VXNVDRBHSA-N 252.270 0.336 10 10 CCCE Nc1ccc(CS(=O)(=O)NCCN2CCCC2=O)cc1 405398166 KKYQBCSHEOCXMG-UHFFFAOYSA-N 297.380 0.311 10 10 CCCE C[C@@H](ONC(=O)NCc1ccc(N(C)C)cc1)C(=O)O 2160467162 DIPHNTGBQZVBJM-SECBINFHSA-N 281.312 0.957 10 10 CCCE Nc1ccc(O)c(CN2CC[C@H]3C(=O)NC(=O)[C@H]3C2)c1 2158781095 QAXJRRMAVTVVIF-MNOVXSKESA-N 275.308 0.069 10 10 CCCE C[C@@H]1OCCN2C(=O)N(c3ccc(N)cc3)C(=O)[C@H]12 328153652 SZTNKIFRVILEAB-KWQFWETISA-N 261.281 0.825 10 10 CCCE O=C1Nc2cc(N3C[C@H]4C[C@H]3C[C@@H]4O)c(F)cc2[C@H]1O 2172057148 YYCWPWWTVZPWCT-NFECNHKBSA-N 278.283 0.771 10 10 CCCE C[C@@]1(CO)CN(c2ccc(CO)cc2)C[C@@]1(C)CO 704272908 PSDGAAAPNTYKGS-GJZGRUSLSA-N 265.353 0.996 10 10 CCCE CC[C@@H]1NCC[C@H]1NC(=O)c1ccc(O)c(O)c1 704612092 YIKUABXESASSQL-VHSXEESVSA-N 250.298 0.968 10 10 CCCE Nc1ccc(OCCNC(=O)[C@@H]2C[C@H]2C(=O)O)cc1 389068765 VSRJUOZOFBVCOO-GHMZBOCLSA-N 264.281 0.485 10 10 CCCE Oc1cccc(Cl)c1CNCCn1ncnn1 379765316 HRCBHGNGRTWGNY-UHFFFAOYSA-N 253.693 0.822 10 10 CCCE NC1(CC(=O)NCc2ccccc2O)CCOCC1 692009027 KFIGQHKTKRCNIX-UHFFFAOYSA-N 264.325 0.906 10 10 CCCE C[C@@H]1[C@H](O)CCCN1c1ccc2c(c1)NC(=O)[C@@H]2N 384723924 HWKGITDOKYZRNZ-BZHVJNSISA-N 261.325 0.988 10 10 CCCE C[C@@H]1[C@H](CO)CCN1C[C@H](O)COc1ccc(N)cc1 385931970 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253.302 0.807 10 10 CCCE OCCCN1CCN(c2ccc(CO)cc2)CC1 2050668983 DKCGAOHOQFOENH-UHFFFAOYSA-N 250.342 0.683 10 10 CCCE C[C@H]1CN(C(=O)c2ccc(O)c(O)c2)CC[S@]1=O 2051903568 WHTHGFILXPRGHM-DCXZOGHSSA-N 269.322 0.691 10 10 CCCE NC[C@@H]1C[C@H]2CC[C@H]1N2C(=O)COc1ccc(N)cc1 2191661344 FADLMQUBFXJTRQ-ZKYQVNSYSA-N 275.352 0.986 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC[C@H]3CNC[C@@H]3C2)cc1 2191790165 DCKCLGUNNBOQAU-QWHCGFSZSA-N 295.408 0.640 10 10 CCCE Nc1ccc(CC(=O)N2C[C@H](N)CC[C@@H]2C(=O)O)cc1 2191895770 PGFWOPDXRBMNNJ-VXGBXAGGSA-N 277.324 0.214 10 10 CCCE COc1cc(N)c(N(C)[C@@H]2CC(=O)N(C)C2)cc1OC 2188490672 GTLCXSHPHBRLJC-SECBINFHSA-N 279.340 0.953 10 10 CCCE CCn1nnc([C@@H](NCCCN=[N+]=[N-])C(=O)O)n1 2077196133 RKYXVWBIODLFGN-ZCFIWIBFSA-N 254.254 0.109 10 10 CCCE C[C@H](c1ccc(O)cc1O)N1CC(=O)NC[C@@H]1C(=O)O 2201034720 ADPQZTFETOZVAI-GMSGAONNSA-N 280.280 0.044 10 10 CCCE COC(=O)[C@H](C)NC(=O)N(C)Cc1ccc(N)cc1 2100780325 FIOQMRGSBSGJJJ-VIFPVBQESA-N 265.313 0.972 10 10 CCCE 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NC[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)CC12CCC2 693696608 MWUKXFHVGXZLJA-SNVBAGLBSA-N 277.324 0.694 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H]1CO 1447943957 LXROICADXBJVML-JTQLQIEISA-N 251.282 0.624 10 10 CCCE Cc1cccc([C@H](C(=O)O)N2C(=O)CCC2=O)c1O 83457972 VOUUHUCLVOBZJX-LLVKDONJSA-N 263.249 0.975 10 10 CCCE C[C@]1(CO)C[C@H](O)CN1Cc1cccc(F)c1O 895327526 DLLNEHBORQKQJO-GXFFZTMASA-N 255.289 0.849 10 10 CCCE C[C@@H](NCc1c(O)cccc1Br)[C@H](O)CO 706809927 RIAJOTRWTDCEER-RDDDGLTNSA-N 290.157 0.986 10 10 CCCE COc1ccc(N(C)[C@@]2(CN)CCS(=O)(=O)C2)cc1 62962715 RVZWXRSBZYFDME-CYBMUJFWSA-N 284.381 0.647 10 10 CCCE CNC(=O)CN(CC(=O)NC)c1ccc(CO)c(Cl)c1 720535532 CQTKWTRMBBHVCX-UHFFFAOYSA-N 299.758 0.131 10 10 CCCE OC[C@@H]1CCc2nnc(-c3cccc(O)c3O)n2C1 97881818 RRFWQFSZGFXOQM-MRVPVSSYSA-N 261.281 0.911 10 10 CCCE Nc1ccc(CS(=O)(=O)NC[C@@H]2OCC[C@H]2F)cc1 2122530456 KVPYGJKOXLOYKK-NEPJUHHUSA-N 288.344 0.815 10 10 CCCE N[C@H]1CC(C(=O)N2CCOc3ccccc32)=C[C@@H]1O 2131474638 HNSZPFNPRXXITE-JQWIXIFHSA-N 260.293 0.430 10 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C[C@@H]1OCCO[C@H]1CNC(=O)c1cccc(O)c1O 2087417416 XECLJYLBFAGDQN-KWQFWETISA-N 267.281 0.632 10 10 CCCE CO[C@@H](C)[C@@H](N)C(=O)NCCc1ccc(O)c(O)c1 2091739652 AMOIRLQXGYIKON-QPUJVOFHSA-N 268.313 0.119 10 10 CCCE NCc1ccc(N2C[C@@H](CO)[C@@H](CCO)C2)c(F)c1 2093494882 BUXNKGZGGUTVDR-RYUDHWBXSA-N 268.332 0.712 10 10 CCCE N[C@H]1CCN(C(=O)c2ccc(O)c(O)c2)CC1(F)F 2095262163 HTEVSNZFHMMKOA-JTQLQIEISA-N 272.251 0.906 10 10 CCCE O=C(O)CN1CC(CNCc2ccc(O)cc2O)C1 2113026960 OUEPLXRJQXGKEJ-UHFFFAOYSA-N 266.297 0.204 10 10 CCCE C[C@@H](NC(=O)c1ccc(O)c(O)c1)[C@@H](C)S(C)(=O)=O 2114223962 MCOCMRRVZXXZMF-HTQZYQBOSA-N 287.337 0.649 10 10 CCCE CC[C@H](O)c1ccc(N(C)[C@@H]2CC(=O)NC2=O)cc1 2114726822 KCYKADYUEYHQPV-NEPJUHHUSA-N 262.309 0.981 10 10 CCCE CCNCc1ccc(N2C[C@@H](O)C[C@H](O)C2)cc1OC 2204553047 CHSRKSDPLLOBLA-KBPBESRZSA-N 280.368 0.737 10 10 CCCE N=c1nnc(OCC2(NCc3ccccc3)CCC2)n[nH]1 2209556231 PQSIUQLFXWPEMF-UHFFFAOYSA-N 286.339 0.770 10 10 CCCE COc1ccc(N2C[C@H](O)C[C@@H](O)C2)c(F)c1F 2219770931 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CNCc1ccc(N2C[C@@H]3C[C@H]2[C@@H](O)[C@@H]3O)c(F)c1 2329325974 LALKPIABZGCBJA-OLRMPSLUSA-N 266.316 0.475 10 10 CCCE O[C@@H]1[C@@H]2C[C@@H](CCN2c2ccc3c(c2)CCO3)[C@H]1O 2333689450 DEQDRMIAROZFBN-DZGBDDFRSA-N 261.321 0.942 10 10 CCCE CN[C@H](C)c1ccc(N2CC([C@H](O)CO)C2)c(F)c1 2336781452 VLLNBROAMWAGPG-YMTOWFKASA-N 268.332 0.896 10 10 CCCE Cc1cccc(CN2C(=O)[C@@H]3COC[C@@H]3C2=O)c1O 2338365729 UJXPPZKEBZROKF-PHIMTYICSA-N 261.277 0.832 10 10 CCCE O=C1CNC[C@H](c2ccc(N3CCOCC3)cc2)N1 1952119693 LJQRUSBKWRYLKA-CYBMUJFWSA-N 261.325 0.284 10 10 CCCE O=C(c1cccc(O)c1O)N1CCN2CCOC[C@@H]2C1 369123648 AGDAUUHQUXKJHI-JTQLQIEISA-N 278.308 0.254 10 10 CCCE CCOC(=O)[C@@H](N)[C@H](OC)c1cccc(O)c1O 1952307707 CQHZNEUUHPVPMN-GXSJLCMTSA-N 255.270 0.676 10 10 CCCE CNC(=O)[C@H](C)NC(=O)c1ccn(-c2ccc(N)cc2)n1 49095525 AHOHMOIEJALJID-VIFPVBQESA-N 287.323 0.319 10 10 CCCE O=C1CCN(Cc2ccc(N3CCOCC3)cc2)CCN1 93101636 NBVKJCULEQKXDF-UHFFFAOYSA-N 289.379 0.845 10 10 CCCE CNC(=O)[C@H](C)CN(C)Cc1cc(N)ccc1O 234376894 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C[C@@H](O)[C@H](O)CNCc1ccc2c(c1)CCCN2C 717357538 CYHNUTHNTPNDNJ-IAQYHMDHSA-N 264.369 0.900 10 10 CCCE C[C@H](NC(=O)Nc1ccc(N)cc1)c1nc(O)n[nH]1 392546112 HBLOVBQPNPUMPD-LURJTMIESA-N 262.273 0.975 10 10 CCCE Nc1cc2c(cc1N1CC[C@@H](O)[C@H](CO)C1)OCCO2 396862095 WCODYBIATINOLG-JOYOIKCWSA-N 280.324 0.220 10 10 CCCE Cc1cc(O)n2ncc(C(=O)N3C[C@H](O)C4(CC4)C3)c2n1 2062241814 CVCHBHJCROJTNA-JTQLQIEISA-N 288.307 0.340 10 10 CCCE Cc1cc(O)n2ncc(C(=O)N3CCOC[C@H](C)C3)c2n1 2063669237 AEJQRKLTYSOSLL-SECBINFHSA-N 290.323 0.852 10 10 CCCE COc1ccc(CNC[C@H]2Cc3nncn3C2)c(O)c1 2167741720 OKUSFVCISMLJAG-SNVBAGLBSA-N 274.324 0.954 10 10 CCCE CN1CCN(CCCc2ccc(N)cc2)C[C@@H]1C(=O)O 2179658514 VESOTXDZKLOUSE-CQSZACIVSA-N 277.368 0.902 10 10 CCCE NC[C@@H]1CO[C@@H]2CN(C(=O)c3ccc(O)c(O)c3)C[C@H]21 2178099684 WXUINAWKRIEGQD-GBIKHYSHSA-N 278.308 0.144 10 10 CCCE CN1C[C@@H]2C[C@H](C1)N2c1ccc2c(c1)N(C)C(=O)[C@H]2O 2187625202 PEIZSBICFCWWPM-WDMOLILDSA-N 273.336 0.589 10 10 CCCE O=C(O)[C@@H]1C=CCN(C(=O)c2cc(O)c(O)c(O)c2)C1 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[N-]=[N+]=NCCN[C@]1(C(N)=O)CO[C@@H](C(F)(F)F)C1 2065744321 SHWDAHZMXOGIOP-VDTYLAMSSA-N 267.211 0.462 10 10 CCCE Cc1cc(N(CC(N)=O)Cc2ccc(N)cc2)cnn1 2186839848 SFXVIFIIRDDKPV-UHFFFAOYSA-N 271.324 0.859 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC(F)(F)C[C@H]1CO 2102780069 IDGOMXYWHVGBII-ZETCQYMHSA-N 274.223 0.335 10 10 CCCE Cc1cc(NS(=O)(=O)N2CCN[C@@H](C)C2)ccc1O 2103306061 WMVITFIDXVYVFR-JTQLQIEISA-N 285.369 0.651 10 10 CCCE Cc1cccc(CNC(=O)N(C)CC(=O)O)c1O 2084063742 PFYRNNCOQNFPSU-UHFFFAOYSA-N 252.270 0.927 10 10 CCCE O=C(N[C@H]1CC[C@H]1C(=O)O)c1ccc(O)c(O)c1 2085035997 QDFPMNINRHPSLO-SFYZADRCSA-N 251.238 0.691 10 10 CCCE CN1C[C@H](NCc2ccc3c(c2)CCCO3)C(=O)N1 2087531522 VMWAASQLPYGFBZ-LBPRGKRZSA-N 261.325 0.446 10 10 CCCE CNCc1ccc(N2C[C@@H](CO)C[C@@H]2CO)cc1C 2089870653 RRSYIDCDBDBFAX-SWLSCSKDSA-N 264.369 0.894 10 10 CCCE C[C@H](N)c1ccc(N2C[C@H](N(C)C)[C@H](O)C2)c(F)c1 2089925262 BBKPHJHMOXGVPI-QCZZGDTMSA-N 267.348 0.957 10 10 CCCE CNCc1ccc(N2C[C@@]3(CO)C[C@]3(CO)C2)cc1 2090114173 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10 10 CCCE COc1ccc(N2C[C@H]3OCCN(C)[C@@H]3C2)c(CO)c1 2236001549 HGCISTGLNZKZKN-HUUCEWRRSA-N 278.352 0.707 10 10 CCCE C[C@@H]1Cc2cc(N3C[C@H]4C[C@H]3[C@@H](O)[C@@H]4O)ccc2O1 2226698210 GDDIZGGDRJOXRV-YIMSWKSESA-N 261.321 0.940 10 10 CCCE OC[C@@H]1CN(c2ccc3c(c2)OCCO3)C[C@H]1CO 2226780719 OBLSFEFKGKKLCH-QWRGUYRKSA-N 265.309 0.495 10 10 CCCE O[C@@H]1C[C@H]2CN(c3ccc4c(c3)CCO4)CCN2C1 2226751713 CMAQSOMOVLJABI-UONOGXRCSA-N 260.337 0.877 10 10 CCCE Cc1cc(CN)ccc1N1CCN2C(=O)COC[C@@H]2C1 2236937555 WGIKDDUTCMDNAC-ZDUSSCGKSA-N 275.352 0.501 10 10 CCCE COc1ccc(N2CCNCCNCC2)c(F)c1F 2227924075 SINSLQPUBCHEMP-UHFFFAOYSA-N 271.311 0.973 10 10 CCCE CNC(=O)[C@H]1COCCN1c1ccc([C@@H](C)N)cc1C 2240847262 RXVGQFSUTDSDEF-BXUZGUMPSA-N 277.368 0.966 10 10 CCCE COC1CC2(C1)CC(NCCN=[N+]=[N-])(C(N)=O)C2 2258484165 DMHYMKRCJYMTLY-UHFFFAOYSA-N 253.306 0.699 10 10 CCCE Nc1ccc(OCC(=O)NCC[C@H]2CCO2)cc1 2263977508 STEYNONHSKLAKP-LBPRGKRZSA-N 250.298 0.943 10 10 CCCE CCN[C@@H](C)c1ccc(N2CC(O)(C(N)=O)C2)cc1C 2285124176 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COC(=O)C1(O)CN(c2ccc([C@H](C)N)cc2F)C1 714421967 UPVCOSQENFGFLQ-QMMMGPOBSA-N 268.288 0.570 10 10 CCCE CNCc1ccc(N2CC(O)(C(=O)OC)C2)cc1 714451242 RCAXXRAZOGQKNM-UHFFFAOYSA-N 250.298 0.130 10 10 CCCE O=C(NCc1ccc(O)cc1O)c1cnn(CCO)c1 1142537564 NQQRIBXRXVSAFR-UHFFFAOYSA-N 277.280 0.217 10 10 CCCE CO[C@H]1CNC[C@H]1c1nc(-c2ccc(O)c(O)c2)no1 690066289 KAUFXEHMERPTMB-KCJUWKMLSA-N 277.280 0.850 10 10 CCCE CN(C)c1ccc(CN2CC(N3CCNCC3)C2)cc1 90308329 ZWZWOFDLOPPVKO-UHFFFAOYSA-N 274.412 0.842 10 10 CCCE O=C(NCc1cc(O)ccc1O)[C@@H]1CCCCS1(=O)=O 1303225459 IEWCQXRRKHINMS-LBPRGKRZSA-N 299.348 0.681 10 10 CCCE C[C@H](c1ccccc1O)N1CC(O)([C@@H](F)C(=O)O)C1 2115649250 DVTKDXMMJRGNKM-KCJUWKMLSA-N 269.272 0.923 10 10 CCCE CO[C@H]1COC[C@@H]1NC(=O)CCc1ccc(N)cc1 2120763036 PJUOEMXFSCZSJZ-STQMWFEESA-N 264.325 0.731 10 10 CCCE Nc1ccc(NC(=O)CN2C[C@@H]3[C@H](CO)[C@@H]3C2)cc1 2125607012 MJGKHOLRNMRRAA-CLLJXQQHSA-N 261.325 0.377 10 10 CCCE Nc1ccc(CCCN2C[C@H](O)C[C@H]2C(=O)O)cc1 2123048805 NMDQSAPRCZKLHC-OLZOCXBDSA-N 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Cc1cccc(CNC(=O)C[C@H]2CNC[C@@H]2O)c1O 2139749953 AUAOSTDIJQKVNA-RYUDHWBXSA-N 264.325 0.287 10 10 CCCE CCOC(=O)c1cccc(N)c1N[C@@H]1CCC(=O)NC1=O 161206503 FRYTXOHJIZPUCQ-SNVBAGLBSA-N 291.307 0.663 10 10 CCCE COc1cc(OC)c(N(C)C[C@@H](N)CN)cc1OC 259080873 RGDFWZNEXIDGNI-VIFPVBQESA-N 269.345 0.435 10 10 CCCE COc1ccc(N2CCN(C)C(=O)C2)c(OC)c1 259434467 URRHYCRLHDTDFN-UHFFFAOYSA-N 250.298 0.982 10 10 CCCE CC[C@@H](NC)c1ccc(N2C[C@H](O)[C@H](O)C2)cc1 233904312 JLTNBKFVNHKUGD-MCIONIFRSA-N 250.342 0.899 10 10 CCCE CN(C)C[C@H]1COC[C@H]1NCc1cccc(O)c1O 2141450530 FVSHJKSROKYXPQ-NWDGAFQWSA-N 266.341 0.764 10 10 CCCE CN(CC(=O)c1ccc(O)c(O)c1)[C@H]1CCCNC1=O 2143397958 MKBCBVHGGSDZTH-JTQLQIEISA-N 278.308 0.491 10 10 CCCE NC[C@@H]1C[C@H](F)CN1c1cc2c(cc1N)OCCO2 1876215697 PKURJGDNRIXYSH-IUCAKERBSA-N 267.304 0.916 10 10 CCCE COc1ccc(N2CCO[C@@H]3CCNC[C@H]32)c(N)c1 1876549485 QZDBJLPLUJGMMM-ZIAGYGMSSA-N 263.341 0.845 10 10 CCCE C[C@H](NC(=O)CNCCN(C)C)c1ccccc1O 1877588071 VTJVPNTYCDNIFN-NSHDSACASA-N 265.357 0.721 10 10 CCCE CS(=O)(=O)N1CC[C@H](NCc2c(O)cccc2F)C1 1964044700 ACYKNDXMVSNDLZ-VIFPVBQESA-N 288.344 0.655 10 10 CCCE CN(C[C@@H]1COCCN1)C(=O)Cc1ccc(N)cc1 1964391039 KSWXGESKJGZOPL-CYBMUJFWSA-N 263.341 0.258 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CCO[C@H](CCO)C1 1963565629 LPTYROPMVRLUJH-LLVKDONJSA-N 281.308 0.250 10 10 CCCE O=C(O)[C@@H]1CN(Cc2ccc(F)cc2O)CCO1 1964719210 KPUCRUWLCLPRIJ-NSHDSACASA-N 255.245 0.817 10 10 CCCE C[C@@H](C(=O)N1CCOCC1)N(C)c1ccc(N)cc1 20422584 RWEIVGZKPRWXMO-NSHDSACASA-N 263.341 0.952 10 10 CCCE Nc1ccc(CCNC(=O)[C@@H]2CO[C@H]3COC[C@@H]23)cc1 1966886500 HZLIEQHGOGMERK-MJBXVCDLSA-N 276.336 0.589 10 10 CCCE Cn1cc(CCNC(=O)Nc2ccc(N)cc2)nn1 1968122628 XUKAIJWRSSNJEZ-UHFFFAOYSA-N 260.301 0.762 10 10 CCCE CNC(=O)OC1CN(c2ccc3c(c2)NC(=O)[C@H]3O)C1 2146893239 WNQGHYRWDYXLER-NSHDSACASA-N 277.280 0.217 10 10 CCCE CNCc1ccc(N2CCOC[C@H]2C(=O)NC)cc1C 160155849 UNRZZRRKKOXXPV-AWEZNQCLSA-N 277.368 0.666 10 10 CCCE O=c1c2c(ccn1CC1CCS(=O)(=O)CC1)CCNC2 2150798793 YMXHSYCHGQRHND-UHFFFAOYSA-N 296.392 0.319 10 10 CCCE CN1CCO[C@@H]2CN(C(=O)c3ccc(O)c(O)c3)C[C@H]21 2153982794 KMIPPIAMWWLGKA-ZWNOBZJWSA-N 278.308 0.253 10 10 CCCE Nc1ccc(OCC(=O)NC[C@@H]2C[C@H](O)CCO2)cc1 2154227907 LVSFPRLHHRWKNA-YPMHNXCESA-N 280.324 0.304 10 10 CCCE CN(C)[C@H]1CN(c2ccc(CO)c(Cl)c2)C[C@@H]1O 2029433734 IOINZAZHFFIYRP-STQMWFEESA-N 270.760 0.943 10 10 CCCE Nc1ccc(CCCN2CCOC[C@H](O)C2)cc1 2030157354 NVJCSMYANLTNPS-CQSZACIVSA-N 250.342 0.895 10 10 CCCE Nc1ccc(OCC(=O)N2CCn3ccnc3C2)cc1 62246802 ZIHZKOMOICEWIB-UHFFFAOYSA-N 272.308 0.887 10 10 CCCE C[C@H]1NC(=O)N(CCc2ccc(O)c(O)c2)C1=O 2039327226 OXCKUIGGMVJZNR-SSDOTTSWSA-N 250.254 0.581 10 10 CCCE N[C@@H]1CN(Cc2ccc(O)c(O)c2)[C@H]2COC[C@H]12 2040553427 GZOZEQMSUQTBQO-MXWKQRLJSA-N 250.298 0.256 10 10 CCCE Nc1ccc(OCC[S@@](=O)CC(=O)NC2CC2)cc1 311349292 UTNJBJCJIPDEDJ-LJQANCHMSA-N 282.365 0.675 10 10 CCCE CN1CC[C@H](N(C)CC(=O)N(C)c2ccc(N)cc2)C1 312889574 WMLMSVZKYRZOGR-AWEZNQCLSA-N 276.384 0.868 10 10 CCCE NCc1ccc(N2C[C@@H](CO)[C@@H](O)C2)c(C(F)(F)F)c1 316483020 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CC[C@H]1[C@@H](CO)CCN1C(=O)c1cc(O)nc(O)c1 385917793 SHOKHPCXSDNDJZ-SCZZXKLOSA-N 266.297 0.726 10 10 CCCE C[C@@H]1[C@@H](CO)CCN1CC(=O)Nc1ccc(N)cc1 385928341 ULMOGVSDROSVCD-GHMZBOCLSA-N 263.341 0.910 10 10 CCCE CC[C@@H](CO)N(C)S(=O)(=O)Cc1ccc(N)cc1 386195457 KNXXMQSNUGOVEL-LBPRGKRZSA-N 272.370 0.801 10 10 CCCE Cc1cc(CN)ccc1N1C[C@H]2C(=O)NC(=O)[C@@H]2C1 386980223 NAIYWQRKRWWLDJ-GHMZBOCLSA-N 259.309 0.163 10 10 CCCE CN(C(=O)CN1C[C@H]2C[C@H]1CO2)c1ccc(N)cc1 387086765 QTOSJOMTYJREKI-QWHCGFSZSA-N 261.325 0.705 10 10 CCCE Nc1ccc(NC(=O)CN2CCS[C@@H](CO)C2)cc1 719991634 RVOALVWQXQUUMH-GFCCVEGCSA-N 281.381 0.617 10 10 CCCE Cn1[nH]c(CNCc2ccc(O)c(O)c2O)cc1=O 391428871 JYYTXCYDECQYSJ-UHFFFAOYSA-N 265.269 0.120 10 10 CCCE C[C@H](N)c1ccc(N2C[C@@H]3[C@H](CO)CO[C@H]3C2)cc1O 2178085695 GQXCQWTXHPHDNC-VWFLFCASSA-N 278.352 0.855 10 10 CCCE C[C@H](CN1CCCC1=O)NC(=O)c1ccc(O)c(O)c1 2174774752 UVEMSVOWDUOMRW-SECBINFHSA-N 278.308 0.839 10 10 CCCE C[C@@H](N)c1ccc(N2CCN(CCO)C(=O)C2)cc1O 2171074170 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268.338 0.333 10 10 CCCE Nc1ccc(NC(=O)N[C@H]2[C@H]3OCCC[C@H]3[C@H]2N)cc1 2191538774 MUDQIMNPVASRCD-LOWDOPEQSA-N 276.340 0.895 10 10 CCCE C[C@H]1C[C@]1(NC(=O)c1cccc(O)c1O)C(=O)O 2058223868 VSYJUCQYCVMDFN-PWCHPLFNSA-N 251.238 0.691 10 10 CCCE OCc1ccc(N2CCC[C@H]2[C@@H](O)CO)c(F)c1 2059216556 JRYYCHCFASNNAX-STQMWFEESA-N 255.289 0.640 10 10 CCCE COC(=O)[C@@]1(NCCN=[N+]=[N-])C[C@H]2CN[C@@H](C2)C1 2062825167 DYWYASFDOAXNCE-ATZCPNFKSA-N 253.306 0.570 10 10 CCCE C[C@@H]1[C@H](N)CCN1S(=O)(=O)Cc1ccc(N)cc1 2071568594 OYNFSYFATOUHKT-BXKDBHETSA-N 269.370 0.520 10 10 CCCE C[C@H](NC(=O)[C@@H](O)C(C)(C)N)c1ccccc1O 2072485797 ISOWACGRNWFUMW-GZMMTYOYSA-N 252.314 0.668 10 10 CCCE NC(=O)[C@@H]1[C@H]2CN(c3cc4c(cc3N)OCCO4)C[C@H]21 2201285693 VGMHBPYIRWLPDN-BWPRHRIFSA-N 275.308 0.208 10 10 CCCE O=C(O)/C=C\CNC(=O)c1cc(O)c(O)c(O)c1 2078365756 YOQCKVNZBBTYHZ-UPHRSURJSA-N 253.210 0.174 10 10 CCCE O=C(O)[C@@H]1C[C@@H](O)CN1Cc1ccc(O)cc1O 2080564991 CSNNZHPRDRSCPZ-ZJUUUORDSA-N 253.254 0.118 10 10 CCCE C[C@@H]1C[C@@H](C(=O)O)N(C(=O)c2cc(O)nc(O)c2)C1 2102994639 NASPTLDIFYCSTO-SVRRBLITSA-N 266.253 0.428 10 10 CCCE Cc1cccc(CNC(=O)[C@H]2CNCCO2)c1O 2084067481 DQAIWSFIIVTEEL-LLVKDONJSA-N 250.298 0.305 10 10 CCCE COC(=O)[C@@](C)(CCS(C)(=O)=O)NCCCN=[N+]=[N-] 2104523782 NIFNMTTVQDKAET-SNVBAGLBSA-N 292.361 0.643 10 10 CCCE CNCc1ccc(N2CC(OC)(C(N)=O)C2)cc1C 2104903428 ZAPLTQXNDRLLEQ-UHFFFAOYSA-N 263.341 0.405 10 10 CCCE CN1CCCc2cc([C@H](CS(C)(=O)=O)NN)ccc21 2106864302 RLQQCTUYOYQNFK-LBPRGKRZSA-N 283.397 0.618 10 10 CCCE O=C(c1cccc(O)c1O)N1CC[C@@H](OCCO)C1 2109043285 OKIDIWCVYCABMP-SECBINFHSA-N 267.281 0.321 10 10 CCCE C[C@H]1CCN(C(=O)c2ccc(O)c(O)c2)[C@H]1C(N)=O 2090254669 WZQSPEKNISCULM-WRWORJQWSA-N 264.281 0.434 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)C1[C@H]2COC[C@H]12 2091762363 FDOZSBBBVAFGKU-UWVGGRQHSA-N 263.293 0.649 10 10 CCCE C[C@@H](CC(N)=O)N(C)CC(=O)c1ccc(O)c(O)c1 2094986353 BQCBHLQIXDUDBL-QMMMGPOBSA-N 266.297 0.476 10 10 CCCE C[C@H](O)C[C@@H](C)N(CC(N)=O)Cc1ccc(N)cc1 2098642372 FMXGFTOFVLXEOS-MNOVXSKESA-N 265.357 0.716 10 10 CCCE CC(=O)c1ccc(O)c(CN2CC[C@@H](O)C[C@@H]2CO)c1 2200828805 REWHPHKALDEVKT-ZIAGYGMSSA-N 279.336 0.912 10 10 CCCE CN[C@@H]1CCc2cc(N3C[C@H](O)[C@@H](O)[C@H]3CF)ccc21 2205610565 KPZLLFJBEIZIHA-KBXIAJHMSA-N 280.343 0.773 10 10 CCCE Nc1nc[nH]c(=NCCc2ccc(O)c(O)c2)c1N 2231004573 WHMIYBIEOXRSOY-UHFFFAOYSA-N 261.285 0.129 10 10 CCCE CC1CC(NC(=O)c2cccc(O)c2O)(C(N)=O)C1 2231950084 OFJCOSNFTOJLOU-UHFFFAOYSA-N 264.281 0.482 10 10 CCCE CS(=O)(=O)N1CC(CNC(=O)Nc2ccc(N)cc2)C1 2233037015 BZTMPUKOUNELDL-UHFFFAOYSA-N 298.368 0.282 10 10 CCCE Cc1cc([C@H](C)O)ccc1N1CC[C@](O)(CO)C1 2223971779 BDORYOZRZIWYLL-SMDDNHRTSA-N 251.326 0.982 10 10 CCCE CC[C@H](O)c1ccc(N2CC[C@](O)(CO)[C@@H](O)C2)cc1 2234096492 KTGJDLIFZXTCLN-KKUMJFAQSA-N 281.352 0.424 10 10 CCCE CC[C@H](O)c1ccc(N2CC[C@@](O)(CO)[C@@H](O)C2)cc1 2234096496 KTGJDLIFZXTCLN-SOUVJXGZSA-N 281.352 0.424 10 10 CCCE N[C@@H]1CCC2(CC2)N(C(=O)c2cc(O)c(O)c(O)c2)C1 2235783439 MGCKCDNPYIEHTM-SECBINFHSA-N 278.308 0.899 10 10 CCCE COc1ccc(N2CCNCCNCC2)cc1OC 2227911283 MQFHZKAKPOLLJE-UHFFFAOYSA-N 265.357 0.703 10 10 CCCE C[C@H](CNC(=O)Cc1ccc(N)cc1)[C@]1(O)CCNC1 2238427420 WYFGLJJLQYQTNP-ABAIWWIYSA-N 277.368 0.288 10 10 CCCE CN(CC(F)(F)C(=O)O)C(=O)Cc1ccc(N)cc1 2277908471 AEMNUGZGYYDWLR-UHFFFAOYSA-N 272.251 0.990 10 10 CCCE COc1cc(C)c(N2C[C@H](O)[C@H](O)[C@@H]2CO)c(C)c1 2269596279 RXDRINJBMYSYGU-SGMGOOAPSA-N 267.325 0.215 10 10 CCCE Cc1cc(N2CCC[C@](O)(C(N)=O)C2)ccc1[C@H](C)O 2285151007 XERAYXNQJBXEMQ-XHDPSFHLSA-N 278.352 0.865 10 10 CCCE CCNC(=O)[C@H]1CNCCN1c1ccc(OCF)cc1 2295963089 WXTHMXSZLSKPFD-CYBMUJFWSA-N 281.331 0.907 10 10 CCCE Nc1ccc(CCN2[C@H]3CC[C@@H]2C[C@@H](O)[C@H]3O)cc1 2331974287 IRFLQMBMTQOJLC-BARDWOONSA-N 262.353 0.770 10 10 CCCE CCN[C@@H](C)C(=O)N1CCc2cc(O)c(O)cc2C1 2341149982 LKDZCKJVBDEKGP-VIFPVBQESA-N 264.325 0.981 10 10 CCCE C[C@@]12CN(c3ccc4c(c3)NC(=O)[C@H]4O)C[C@]1(CO)C2 2354738733 XFHYXGYFUIXHME-CFVMTHIKSA-N 274.320 0.881 10 10 CCCE O=C(N[C@H]1C[C@@H](C(=O)O)[C@H]2C[C@@H]12)c1cc(O)nc(O)c1 2354890485 QBPAJSRZGPZPDC-KDXUFGMBSA-N 278.264 0.332 10 10 CCCE CC[C@H](O)CNC(=O)CCOc1ccc(N)cc1 124066020 VVYTYXJUHXKXDR-NSHDSACASA-N 252.314 0.925 10 10 CCCE C[C@H]1CCN(C(=O)c2cccc(O)c2O)C[C@H]1N 126679085 AQCODLLGXYQOQS-WCBMZHEXSA-N 250.298 0.907 10 10 CCCE C[C@@H]1CCO[C@@H]1C(=O)N(CC(N)=O)Cc1ccc(N)cc1 122233410 GCNXAFMBUODFHM-YGRLFVJLSA-N 291.351 0.508 10 10 CCCE COc1cccc(CN[C@@H](C)C(=O)N2CCOCC2)c1O 134635721 DQWHCGVDHONIMD-NSHDSACASA-N 294.351 0.738 10 10 CCCE COc1ccc(CNC2CCN(CC(N)=O)CC2)c(O)c1 40906578 UYXCFXXHLQYWAP-UHFFFAOYSA-N 293.367 0.440 10 10 CCCE CN(C(=O)[C@@H](N)Cc1ccc(O)c(O)c1)C1CCOCC1 40461826 DSHUMXYQQUKNGY-LBPRGKRZSA-N 294.351 0.605 10 10 CCCE C[C@@H](c1cc(F)ccc1O)N1CCNC[C@H]1C(=O)N(C)C 251798871 XVVWUWRGAZLKMW-GWCFXTLKSA-N 295.358 0.954 10 10 CCCE CN1CCc2cc([C@H](N)[C@H]3CN4CCN3CC4)ccc21 2163067986 CLVMHOIDSJMQPK-CVEARBPZSA-N 272.396 0.679 10 10 CCCE Cc1ccc(O)c([C@@H](C)N2CCOC[C@@]2(CN)CO)c1 703210582 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C[C@H](O)c1ccc(N2CC3(CNC(=O)N3)C2)c(F)c1 2121184377 TWJDVNWEUNNTMJ-QMMMGPOBSA-N 265.288 0.751 10 10 CCCE Nc1ccc(O)c(CN2C[C@@H]3C[C@H](C2)[C@@H](O)[C@H]3O)c1 2126162239 QKMRUXZLQBMWOO-IOQCUFBNSA-N 264.325 0.148 10 10 CCCE COc1ccc(O)c(CNCCc2cnnn2C)c1 2123265541 XOLOHWGNWKXURD-UHFFFAOYSA-N 262.313 0.862 10 10 CCCE CC1(C)OC[C@@H](NC(=O)Nc2ccc(N)cc2)[C@H]1O 1910983133 AHYMLCUYEKIQJM-GHMZBOCLSA-N 265.313 0.929 10 10 CCCE Nc1ccc(CCNS(=O)(=O)N2CCC[C@H](O)C2)cc1 1914157297 VTERRMFMIMZOGU-ZDUSSCGKSA-N 299.396 0.102 10 10 CCCE [N-]=[N+]=NC1CN(C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)C1 1912186562 ANDKNKUMDGIMIQ-LURJTMIESA-N 291.233 0.918 10 10 CCCE CNC(=O)NC(=O)[C@H](C)N1CCC[C@@H](N=[N+]=[N-])C1 1912144910 YLDHZCQURHCRLJ-JGVFFNPUSA-N 254.294 0.605 10 10 CCCE CN(C)S(=O)(=O)c1ccc(C(=O)N2CC(N=[N+]=[N-])C2)o1 1912207925 ZKNURZATVBIRNP-UHFFFAOYSA-N 299.312 0.665 10 10 CCCE Nc1ccc(OCCNS(=O)(=O)c2ccn[nH]2)cc1 223192367 GVYGGWZWDPJFPO-UHFFFAOYSA-N 282.325 0.349 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCC[C@@H]2C[C@H]21 1916909635 DVCGSSVDJCMIIL-GRYCIOLGSA-N 276.336 0.979 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3C[C@@H]4C[C@]4(CO)C3)ccc21 2136090700 NROWQQPJMNLORA-REAQECSSSA-N 259.309 0.457 10 10 CCCE Cn1cc([C@H](O)C(=O)NCc2cccc(O)c2O)cn1 1455314730 IMZVGXSJKATECX-LBPRGKRZSA-N 277.280 0.181 10 10 CCCE CN(C(=O)CN1C[C@H](O)C1(C)C)c1ccc(N)cc1 2136632504 XZUXONBEWZCOJX-LBPRGKRZSA-N 263.341 0.687 10 10 CCCE C[C@@H](NCCOCC(N)=O)c1ccc(F)cc1O 230047446 FTBXPZHSHPNYBI-MRVPVSSYSA-N 256.277 0.684 10 10 CCCE C[C@H]1CN(C(=O)c2ccc(O)c(O)c2)C[C@@H](CO)O1 230419497 DJNZHNNYSGBKLO-WPRPVWTQSA-N 267.281 0.320 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NCC[C@H]1CNC(=O)C1 1644264247 CJOHZLSVLSFFAG-SNVBAGLBSA-N 278.308 0.283 10 10 CCCE COc1cc(N2CCN(C)[C@H](CO)C2)ccc1CN 2139696931 ODIMJJCSJMJIAN-ZDUSSCGKSA-N 265.357 0.267 10 10 CCCE COc1cc(C)cc(CN2CCO[C@@H](C(N)=O)C2)c1O 164234178 AUZLSRKBJFUHNF-GFCCVEGCSA-N 280.324 0.395 10 10 CCCE CN(C)c1cnn(CC(=O)Nc2ccc(N)cc2)c(=O)c1 164693595 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1963554515 PPDYEWXBNKUDGH-SECBINFHSA-N 267.281 0.321 10 10 CCCE C[C@H]1CCNCCN1C(=O)c1cc(O)c(O)c(O)c1 1885130855 MBUDJSOORICONP-QMMMGPOBSA-N 266.297 0.627 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3C[C@@H]4C(CO)[C@H]4C3)ccc21 2146876336 FCJGZGIWMZCBJN-MJVIPROJSA-N 273.336 0.574 10 10 CCCE C[C@H](CC(N)=O)N(C)c1ccc2c(c1)N(C)C(=O)[C@@H]2O 2151340762 QNBMBMREVFWJAP-AMIZOPFISA-N 277.324 0.397 10 10 CCCE CN(C(=O)CN1CCC[C@H](O)C1)c1ccc(N)cc1 36798399 DLRZROORWYDFGD-ZDUSSCGKSA-N 263.341 0.688 10 10 CCCE CN[C@@H](c1cn(C)nn1)[C@@H](O)c1ccc(N(C)C)cc1 2147844690 CANQFYFOKLRAFF-KBPBESRZSA-N 275.356 0.875 10 10 CCCE CCS(=O)(=O)CC(=O)N1CCC[C@@H](N=[N+]=[N-])C1 2015470446 RXOBAEBHIXHGGJ-MRVPVSSYSA-N 260.319 0.722 10 10 CCCE CN1CCC(NCc2cccc(F)c2O)(C(N)=O)CC1 2154496238 CNKRNIBAEUMHEO-UHFFFAOYSA-N 281.331 0.571 10 10 CCCE Cn1nncc1S(=O)(=O)Nc1ccc(O)cc1Cl 2027821004 XWKIRPDCSFUGQV-UHFFFAOYSA-N 288.716 0.975 10 10 CCCE CC[C@@H]1C[C@@H](N)CN1C(=O)c1cc(O)nc(O)c1 2028475887 QGVAFPNAVJZHSN-RKDXNWHRSA-N 251.286 0.445 10 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CCCE O=C(c1cc(O)nc(O)c1)N1CCCC2(CC(O)C2)C1 2186116654 GWDICWUWLIVVKL-UHFFFAOYSA-N 278.308 0.870 10 10 CCCE Nc1ccc(OCCC(=O)N=[S@]2(=O)CC[C@H](N)C2)cc1 2191677983 GCRPOILPBBAHGC-YBTHPKLGSA-N 297.380 0.763 10 10 CCCE CO[C@H]1CNC[C@@H]1NC(=O)CCOc1ccc(N)cc1 2191731814 SYVRTKABOYTYJM-STQMWFEESA-N 279.340 0.141 10 10 CCCE CN(c1ccc(CN)c(F)c1)[C@H]1CCC(=O)NC1 2063569052 IRVQPCMMQNSOOU-NSHDSACASA-N 251.305 0.999 10 10 CCCE N[C@H]1COC[C@H]1Cc1nc(-c2ccc(O)c(O)c2)no1 2187954246 OPOZLXBEUSMDQN-BDAKNGLRSA-N 277.280 0.664 10 10 CCCE C[C@H]1OCC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2068577746 PKNZLJVDUXBCCF-HTRCEHHLSA-N 253.254 0.711 10 10 CCCE CC[C@@H](N)[C@H](C)NC(=O)c1cc(O)c(O)c(O)c1 2068623841 KNMOLKIHIPIRRX-POYBYMJQSA-N 254.286 0.659 10 10 CCCE N[C@H]1C[C@H](CNC(=O)c2cc(O)c(O)c(O)c2)C1 2068625247 WTQNEERAHFFERG-FKQCQYRASA-N 252.270 0.271 10 10 CCCE Nc1cccc(C(=O)O)c1N[C@H]1CCOC[C@H]1N 2071693793 FOBZQCZXKMZWCK-ZJUUUORDSA-N 251.286 0.495 10 10 CCCE CCNCCCNS(=O)(=O)Cc1ccc(N)cc1 2071690021 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O=C(NCC1CC2(C1)OCCO2)c1cc(O)c(O)c(O)c1 2068619970 DIOCEVSITJWXAL-UHFFFAOYSA-N 295.291 0.686 10 10 CCCE O=C1NC[C@H]2CN(c3ccc(CO)cc3F)CC[C@H]12 2100942347 YMAWYYGGUGFXQH-QWRGUYRKSA-N 264.300 0.890 10 10 CCCE C[C@H](O)c1ccc(N2C[C@H](O)[C@H](N(C)C)C2)cc1O 2089923571 PHXNJIHDQDGKDF-BHYNMZESSA-N 266.341 0.557 10 10 CCCE CN(CCc1ccc(N)cc1)CCN(C)S(C)(=O)=O 2090796517 GHBMDQNBAMGDBS-UHFFFAOYSA-N 285.413 0.635 10 10 CCCE COc1cc([C@@H](O)C(=O)C(C)=O)cc(OC)c1OC 2090863360 XGUHUZFZULMZMH-GFCCVEGCSA-N 268.265 0.904 10 10 CCCE CN1CCO[C@@H]2CN(c3ccc(CN)cc3F)C[C@@H]21 2097701818 CUQIKBADDVUSRA-UONOGXRCSA-N 265.332 0.804 10 10 CCCE O=c1c2c(ccn1C[C@H](O)CC(F)(F)F)CCNC2 2099498847 BEVCWPIZZYRLQS-SECBINFHSA-N 276.258 0.807 10 10 CCCE Nc1ccc(CS(=O)(=O)NC[C@@]23CC[C@H]2CNC3)cc1 2200866587 SYMFQPQKAXLPDH-JSGCOSHPSA-N 295.408 0.688 10 10 CCCE C[C@@](O)(CO)[C@H]1CCN(C(=O)Cc2ccc(N)cc2)C1 2202853631 RMVXTNZVBASSJH-SWLSCSKDSA-N 278.352 0.403 10 10 CCCE CC[C@@H]1C(=O)NC(=O)CN1c1ccc(CO)c(OC)c1 2204543359 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10 10 CCCE Cc1cc(N2CC[C@H](O)[C@H](O)C2)ccc1[C@@H](C)N 2257463694 KEOODFDGGBLKPJ-DDTOSNHZSA-N 250.342 0.947 10 10 CCCE CN[C@H](C)c1ccc(N2CC[C@@H]2[C@H](O)CO)cc1 2258342197 VMVGHDBKRMEXNU-LERXQTSPSA-N 250.342 0.899 10 10 CCCE CSc1ncc(CNC(=O)C2(N)CC(O)C2)s1 2248702684 RNVUOCBCWGLFIM-UHFFFAOYSA-N 273.383 0.333 10 10 CCCE COc1cccc(O)c1CN(C)CC1(O)CNC1 2259124701 ACKQSBVRKWSNQB-UHFFFAOYSA-N 252.314 0.167 10 10 CCCE OCCC1(O)CN(c2ccc(CO)c(Cl)c2)C1 2249532133 QZDODHOIHZBZQM-UHFFFAOYSA-N 257.717 0.766 10 10 CCCE OCc1ccc(N2C[C@@H]3OC[C@@H](CO)O[C@H]3C2)c(F)c1 2279783034 XAYMUZTXOXCTAL-SWHYSGLUSA-N 283.299 0.283 10 10 CCCE COC(=O)N[C@@H](C)CNC(=O)c1cc(O)c(O)c(O)c1 2290368564 NQCCWIQOLPAIEY-LURJTMIESA-N 284.268 0.278 10 10 CCCE CC[C@H](C)[C@H](NS(=O)(=O)Cc1ccc(N)cc1)C(N)=O 2296237993 ALIADXXWROBSCC-CABZTGNLSA-N 299.396 0.588 10 10 CCCE Cn1cc(NCc2ccc(N3CCNCC3)cc2)nn1 2286072749 FZJMLMRXTBWMAT-UHFFFAOYSA-N 272.356 0.837 10 10 CCCE CCS(=O)(=O)N(C)NCc1c(C)cccc1O 2301555359 OLJQMHQOUODUMZ-UHFFFAOYSA-N 258.343 0.987 10 10 CCCE C[C@H](NCC[C@H](O)CCO)c1ccc(O)cc1O 2326774747 KHNPMFZZHFJEHL-UWVGGRQHSA-N 255.314 0.882 10 10 CCCE COc1ccc(N2C[C@@H]3CS(=O)(=O)[C@H]3C2)c(CO)c1 2336464827 HDACNZROJBDRDH-MFKMUULPSA-N 283.349 0.421 10 10 CCCE N[C@@H]1CCc2cc(N3C[C@H]4C[C@H](O)[C@@H](O)[C@@H]3C4)ccc21 2356171872 BBXIEPKDSQSDOR-HOUZQUGISA-N 274.364 0.953 10 10 CCCE NC(=O)CN(Cc1ccc(N)cc1)c1nncs1 70426571 QJBRXUYRMYEBJL-UHFFFAOYSA-N 263.326 0.612 10 10 CCCE CC(C)CNS(=O)(=O)NCc1ccc(N)cc1 128352540 INRIOWYYHGZSMC-UHFFFAOYSA-N 257.359 0.849 10 10 CCCE CN(C)C(=O)CN(C)C(=O)c1ccc(O)c(O)c1 227014418 PGKVTDQYSRUJCE-UHFFFAOYSA-N 252.270 0.258 10 10 CCCE CC[C@H]1CNCC[C@@]1(NCCN=[N+]=[N-])C(=O)OC 229764645 USMXUDYJJHNDNY-ONGXEEELSA-N 255.322 0.818 10 10 CCCE COCCCC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 95034526 TVIZADWSZKATLQ-JTQLQIEISA-N 297.307 0.636 10 10 CCCE CC(=O)C(=O)CSc1nnnn1-c1ccccc1 808012076 DMLGMAUPTQCNLO-UHFFFAOYSA-N 262.294 0.913 10 10 CCCE CC(=O)C(=O)COC(=O)c1sccc1-n1cnnn1 808502262 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CN1CCN(S(=O)(=O)CCOc2ccc(N)cc2)CC1 70490455 HCXWLVLIASFZTA-UHFFFAOYSA-N 299.396 0.225 10 10 CCCE NC(=O)CN(CCC1(O)CC1)Cc1ccc(N)cc1 2120452823 WXIARVGGDOFBHP-UHFFFAOYSA-N 263.341 0.471 10 10 CCCE Nc1ccc(N2C(=O)C[C@H]3COC[C@H]3NC2=O)cc1 2131395126 PFFAULMWMZDAPM-GZMMTYOYSA-N 261.281 0.730 10 10 CCCE CN(C[C@H]1CCN1C)c1ccc2c(c1)NC(=O)[C@@H]2O 2129905825 RXRTWKDNLPLWOR-ZWNOBZJWSA-N 261.325 0.812 10 10 CCCE CC1(C)C[C@H](CN)CN1C(=O)c1cc(O)nc(O)c1 2132456259 KAJAIZFZJYLEHN-MRVPVSSYSA-N 265.313 0.692 10 10 CCCE Nc1ccc(CCN2CC[C@H]3C[C@H]2[C@H](O)[C@H]3O)cc1 2134818578 ZJXINJOPTFWSGH-MXAVVETBSA-N 262.353 0.627 10 10 CCCE [N-]=[N+]=NC[C@H]1CCN(CC(=O)NCCCC(=O)O)C1 1912151784 LKUNDIUPZJYDTF-SECBINFHSA-N 269.305 0.600 10 10 CCCE NCC[C@@H]1C(=O)NN(c2cccc(Br)c2)C1=O 106676886 XUXSNBXOBNLXTL-SECBINFHSA-N 298.140 0.792 10 10 CCCE COc1ccc(O)c(CN[C@@H]2COC[C@@H]2N(C)C)c1 1922050447 YGXIAJGFHHTBNG-OLZOCXBDSA-N 266.341 0.819 10 10 CCCE COc1nn(C)cc1CNC(=O)Cc1ccc(O)c(O)c1 1637134411 NLZXFRACUVTDPT-UHFFFAOYSA-N 291.307 0.699 10 10 CCCE Cc1cc(N2CCN(C)C[C@H]2CCO)ccc1CN 2138083895 PUTHIEVAIHWZCG-OAHLLOKOSA-N 263.385 0.957 10 10 CCCE C[C@H](CO)N(C)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 123051608 NJOPIQVXICZGRA-SSDOTTSWSA-N 281.268 0.743 10 10 CCCE O=C1CCC[C@H](C(=O)c2cnn3ccncc23)C1=O 231907325 DPWMDZGYTAAZMI-MRVPVSSYSA-N 257.249 0.850 10 10 CCCE Cc1cccc(CNC(=O)[C@H]2CNCCOC2)c1O 2139742559 CYHGDECOHAELQK-LBPRGKRZSA-N 264.325 0.553 10 10 CCCE CC1(C)[C@@H](NS(=O)(=O)Cc2ccc(N)cc2)C[C@H]1N 1876416601 YVXSWCMOMCTQFW-NEPJUHHUSA-N 283.397 0.814 10 10 CCCE CC1(C)[C@@H](N)C[C@H]1NC(=O)COc1ccc(N)cc1 1876511620 SJMVOVNHZRZVKG-NWDGAFQWSA-N 263.341 0.890 10 10 CCCE CCO[C@@H]1C[C@@H](N)[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 2144017471 BKVKKNRIWHDKFK-IUPBHXKESA-N 280.324 0.261 10 10 CCCE Nc1ccc(CC(=O)N[C@@H]2CCOC[C@H]2CO)cc1 1878773112 AVBFVRDXSUMGQT-DGCLKSJQSA-N 264.325 0.325 10 10 CCCE Oc1ccc(CCN=c2ccc3nncn3[nH]2)cc1O 2148016214 NYHYZWXOUPJBJC-UHFFFAOYSA-N 271.280 0.612 10 10 CCCE CC(=O)C(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 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C[C@H](NS(=O)(=O)c1c(N)ncn1C)c1ccccc1O 2192619840 LTTLEJNRFVYFNU-QMMMGPOBSA-N 296.352 0.747 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCN(S(=O)(=O)N2CCC[C@H]2CO)C1 2105535637 AVXHWZMUFPDYPR-UWVGGRQHSA-N 289.361 0.320 10 10 CCCE COC(=O)c1cccc(N)c1N[C@H]1CN(C)C[C@@H]1O 2108744293 BJNVQGCLHHSWPR-QWRGUYRKSA-N 265.313 0.142 10 10 CCCE CC1(C)CN[C@H](CNC(=O)c2cc(O)nc(O)c2)C1 2090462341 YNGMPQSJOCXBTB-VIFPVBQESA-N 265.313 0.611 10 10 CCCE CCn1cc([C@@](C)(O)[C@H](N)c2ccccc2O)nn1 2091861833 CUIOSUVIUOYJMZ-CHWSQXEVSA-N 262.313 0.911 10 10 CCCE CN[C@H](c1ccccc1O)[C@]1(O)CCS(=O)(=O)[C@H]1C 2091867113 KJRLHQRTMGSSDK-BIMULSAOSA-N 285.365 0.591 10 10 CCCE CN[C@H](C)[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)C1 2092981773 QSRQZMDQZUCPHN-BDAKNGLRSA-N 265.313 0.563 10 10 CCCE NC[C@@H]1[C@H]2CCN(C(=O)c3ccc(O)c(O)c3)C[C@@H]12 2093095571 RYVITSVQYDUFQE-GMTAPVOTSA-N 262.309 0.765 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC=CCC12CNC2 2093495111 FEJSJXOBURALOW-UHFFFAOYSA-N 261.281 0.237 10 10 CCCE CN1CCC(Cn2ccc3c(c2=O)CNCC3)CC1 2094405714 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CSc1ncc(CNC(=O)c2cnn(C)c2CN)s1 2269192745 GWYXQYLMRHBQNZ-UHFFFAOYSA-N 297.409 0.987 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@H]2[C@H](O)C[C@H]21 2296971660 YIDIDKVRPASLBC-CKYFFXLPSA-N 263.293 0.622 10 10 CCCE N[C@@]1(C(=O)C(=O)C[C@H]2C[C@H](N)C2)C[C@@H]2CCC[C@@H]21 2313262098 DHEWWBBCEKOQII-VITBEWHZSA-N 250.342 0.770 10 10 CCCE C[C@H](NCCS(=O)(=O)CCO)c1ccc(F)cc1O 2335778206 UIUKQSYBJWUXKO-VIFPVBQESA-N 291.344 0.589 10 10 CCCE CCS(=O)(=O)N(C)NCc1ccc2c(c1)CCN2C 2339782931 HFQBOCSGZCMSFO-UHFFFAOYSA-N 283.397 0.965 10 10 CCCE N[C@@H]1COCC[C@H]1N1CCc2cc(O)c(O)cc2C1 2341206395 GJGUNHHPMCMJPF-VXGBXAGGSA-N 264.325 0.572 10 10 CCCE C[S@@](=O)CCNCc1cc2c(cc1O)OCO2 134740688 IFRFCAOTQQXWDV-KRWDZBQOSA-N 257.311 0.589 10 10 CCCE NC[C@H]1C[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)[C@@H]2C[C@H]12 2356974767 CHGIVOACLVXZLF-ZYUZMQFOSA-N 278.308 0.517 10 10 CCCE Nc1ccc(CC(=O)N2CC[C@@H]3C[C@H]2[C@H](O)[C@H]3O)cc1 2357595595 VAFXKRPJXHLHAB-WCUVEOEZSA-N 276.336 0.154 10 10 CCCE COc1ccc(CN2CCN(C)C(=O)C2)c(O)c1 127409762 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CCCE CN(C)C[C@@H](O)CN(C)c1ccc2c(c1)CC[C@@H]2N 2128325117 OLKYSTJACUHJCP-HIFRSBDPSA-N 263.385 0.991 10 10 CCCE Cn1[nH]c(=O)c(=O)nc1SCCCCN=[N+]=[N-] 1912143258 CROZSMORPULDCV-UHFFFAOYSA-N 256.291 0.651 10 10 CCCE NS(=O)(=O)CCCC(=O)NCc1c(O)cccc1F 1456029296 MABXAOSMXFUAJD-UHFFFAOYSA-N 290.316 0.216 10 10 CCCE C[C@@H](CCO)N(C)CC(=O)Nc1ccc(N)cc1 1917033954 OAGDOIHIULSUKQ-JTQLQIEISA-N 251.330 0.910 10 10 CCCE O=C(O)[C@H]1C[C@H](O)CN1Cc1cc(F)cc(F)c1O 2136109852 PUZVLTJMGDBFSK-WCBMZHEXSA-N 273.235 0.690 10 10 CCCE O=C(NCc1cc(O)ccc1O)C1CN([C@@H]2CCOC2)C1 1558175325 LZOCDSSEZNSZMA-GFCCVEGCSA-N 292.335 0.435 10 10 CCCE Cc1nc(=NC(=O)c2c(F)ccc(O)c2O)n(C)[nH]1 1638563037 PAYSWDJMXPLRHC-UHFFFAOYSA-N 266.232 0.348 10 10 CCCE O=C(N[C@H]1CC[C@@H](O)[C@@H](O)C1)c1cccc(O)c1O 1639518112 QZCRQRAXGXIMTE-NMLBEHRDSA-N 267.281 0.102 10 10 CCCE CNC(=O)C[C@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1 1640863187 FWXMAHGUQOYJPU-DNQSNQRASA-N 278.308 0.752 10 10 CCCE CC1(CNC(=O)[C@@H](N)Cc2ccc(O)c(O)c2)CC1 232889122 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250.254 0.079 10 10 CCCE CNCc1ccc(N2CCOC[C@@H](CO)C2)cc1 2036922313 KKSINXONVFLNIW-CYBMUJFWSA-N 250.342 0.851 10 10 CCCE Cc1ccc(O)c2c1[C@H](C)C[C@H]2NC[C@H](O)C(N)=O 300699486 DPTKLNATOAQVIO-KKZNHRDASA-N 264.325 0.685 10 10 CCCE CNCc1ccc(N2CC(CO)(OC)C2)cc1C 2039552130 KJHNEXHLZKBMQN-UHFFFAOYSA-N 250.342 0.912 10 10 CCCE CCO[C@@]1(C(=O)NCc2cc(N)ccc2O)CCOC1 402189257 DFRCMFTUILJLPK-AWEZNQCLSA-N 280.324 0.786 10 10 CCCE CCCNC(=O)C[S@](=O)CCOc1ccc(N)cc1 311766374 BIXSQHDBHFTXQZ-LJQANCHMSA-N 284.381 0.923 10 10 CCCE Nc1ccc(CC(=O)N2CC[C@@](O)(CC(=O)O)C2)cc1 2160874085 DNAQMYBUWHOWOX-CQSZACIVSA-N 278.308 0.249 10 10 CCCE CC[C@H]1CNCCN1C(=O)c1ccc(O)c(O)c1 704554630 CYEXQHWVSYMTFA-JTQLQIEISA-N 250.298 0.922 10 10 CCCE C[C@H]1CN(C(=O)c2cccc(O)c2O)C[C@H]1CN 708872550 VRFGVMZNFMPQDO-DTWKUNHWSA-N 250.298 0.765 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@H](N)Cc1ncns1 2172317222 BIIMSXOBTCJLKS-SNVBAGLBSA-N 292.364 0.772 10 10 CCCE COCC(COC)NC(=O)COc1ccc(N)cc1 384239294 IOBXWOGKZQELTG-UHFFFAOYSA-N 268.313 0.425 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O=C(c1cccc(O)c1O)N1C[C@H]2CS(=O)(=O)C[C@H]2C1 1334790047 BERLZAHHIKOILS-DTORHVGOSA-N 297.332 0.214 10 10 CCCE C[C@@H]1CC[C@H](NC(=O)Cc2ccc(N)cc2)CS1(=O)=O 852856194 NICMBBJYFBJDMX-MFKMUULPSA-N 296.392 0.893 10 10 CCCE O=[N+]([O-])c1ccc(O)c(CNC[C@@H](O)[C@@H]2CCCO2)c1 858227365 TUPQYICQHPNQIK-OLZOCXBDSA-N 282.296 0.930 10 10 CCCE CC(=O)c1ccc(O)c(CN2CCNC(=O)[C@@H]2C)c1 104143754 AUAWTJVQLGOJMT-VIFPVBQESA-N 262.309 0.915 10 10 CCCE CN(C)C(=O)CN(C)C(=O)Cc1ccc(O)c(O)c1 1135661859 HQVNIINCAIDIGM-UHFFFAOYSA-N 266.297 0.187 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NC[C@]1(O)CCSC1 1587682292 WYNHNHOIDCSLFA-CYBMUJFWSA-N 283.349 0.625 10 10 CCCE CCCN1CCC(NCCN=[N+]=[N-])(C(N)=O)CC1 90257741 WJJJQWVJWBYYTA-UHFFFAOYSA-N 254.338 0.616 10 10 CCCE CC(=O)N[C@@H]1CCN(CC(=O)Nc2ccc(N)cc2)C1 133772567 IWSFMCBPIIWDJR-CYBMUJFWSA-N 276.340 0.418 10 10 CCCE CC[C@@H](O)c1ccc(N2CC(NS(C)(=O)=O)C2)cc1 703009293 ZNYWACUYZDRGQR-CYBMUJFWSA-N 284.381 0.868 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3C[C@H](C)[C@@H](CO)C3)ccc21 709227791 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0.783 10 10 CCCE O=C(NC1COCCOC1)c1cccc(O)c1O 381259794 OTNBHSURNRAGAT-UHFFFAOYSA-N 253.254 0.243 10 10 CCCE CO[C@]1(CNc2ccc(N)cc2)CCS(=O)(=O)C1 720879962 BSGYHZFYGSGGKU-LBPRGKRZSA-N 270.354 0.884 10 10 CCCE N#Cc1cnn(C[C@H](O)COc2ccc(N)cc2)c1 388407093 ZHXXNCWDAWYTFJ-LBPRGKRZSA-N 258.281 0.777 10 10 CCCE CO[C@@H]1CS(=O)(=O)C[C@@H]1N(C)c1ccc(CN)c(C)c1 829265564 YWZAVOFIIXLOPI-UONOGXRCSA-N 298.408 0.702 10 10 CCCE CC[C@H](CO)NC(=O)c1cc(OC)nc(OC)c1 1221377213 NLCYESFAXQUBDG-SECBINFHSA-N 254.286 0.600 10 10 CCCE CN1CCc2cc([C@H](N)[C@@](C)(O)CS(C)(=O)=O)ccc21 2170403243 NIMFESQLIFQRPQ-KBPBESRZSA-N 298.408 0.474 10 10 CCCE O=C(N[C@H]1C[C@H]2C[C@H]1C[C@H]2O)c1cc(O)c(O)c(O)c1 2188875668 SNMGDCIQLWVXPI-WPYKOPORSA-N 279.292 0.693 10 10 CCCE Cn1ncc(O)c1CNCCc1ccc(O)c(O)c1 2091741398 GULGKGDGGRFGDV-UHFFFAOYSA-N 263.297 0.869 10 10 CCCE O=C1NCC2(CN(c3ccc4c(c3)CCC[C@@H]4O)C2)N1 2184690506 CNIFAQIXMMHDDJ-ZDUSSCGKSA-N 273.336 0.928 10 10 CCCE CCn1nnc([C@H](O)[C@@H](N)c2ccc(N(C)C)cc2)n1 2197839172 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C[C@H](N)c1ccc(N2CCC[C@@](O)(C(N)=O)C2)cc1 311643508 SAFAMSAKEWMIQK-HZMBPMFUSA-N 263.341 0.523 10 10 CCCE CCCOc1cc(N2CC[C@](O)(C(N)=O)C2)ccc1N 312247532 DUYUZSUTLXDADM-CQSZACIVSA-N 279.340 0.484 10 10 CCCE Cc1cc(NS(=O)(=O)[C@@H]2CCNC2)ccc1O 687251517 CPDVWPDEBVGHLW-SNVBAGLBSA-N 256.327 0.804 10 10 CCCE C[C@H]1CC(=O)NCCN1c1ccc2c(c1)NC(=O)[C@H]2O 687981733 WJZYROOTESDCKG-SDBXPKJASA-N 275.308 0.387 10 10 CCCE NCCN1CCC[C@@H](NC(=O)c2cccc(O)c2O)C1 384686528 HOEFHJUVJNPMIH-SNVBAGLBSA-N 279.340 0.251 10 10 CCCE CN(C)[C@H]1[C@@H]2CN(S(=O)(=O)Cc3ccc(N)cc3)C[C@@H]21 384791755 RDVSKCXTZSDSNF-WDNDVIMCSA-N 295.408 0.590 10 10 CCCE C[C@@H](c1c(O)cccc1O)N1CC(O)([C@H](F)C(=O)O)C1 2172288926 GHXUWGMYNAFLPU-WRWORJQWSA-N 285.271 0.628 10 10 CCCE COc1ccc(N2CC[C@@H](N)[C@H](CO)C2)c([N+](=O)[O-])c1 2178911501 PRVONNUBCXOAHT-GXSJLCMTSA-N 281.312 0.749 10 10 CCCE CO[C@H]1COC[C@@H]1N(C)C(=O)COc1ccc(N)cc1 2177272910 YKZYSZHLAOMAJW-STQMWFEESA-N 280.324 0.520 10 10 CCCE 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274.280 0.380 10 10 CCCE [N-]=[N+]=N[C@H]1CCC[C@H]1NS(=O)(=O)N1CCC[C@H]1CO 2225799617 LPKLBPQDNNJCEK-LPEHRKFASA-N 289.361 0.509 10 10 CCCE COc1ccc(N2CC[C@H]3C[C@H]2[C@H](O)[C@H]3O)c(CO)c1 2235956636 YQHNHZWOYGEPEZ-BCZWGYKPSA-N 279.336 0.508 10 10 CCCE OC[C@@H]1CN(c2ccc3c(c2)OCCO3)C[C@@H]1CO 2226780718 OBLSFEFKGKKLCH-PHIMTYICSA-N 265.309 0.495 10 10 CCCE COc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3C(N)=O)c(CO)c1 2227676014 PPCGQGNEEPWKEW-PJXYFTJBSA-N 262.309 0.355 10 10 CCCE Cc1cccc(CNC(=O)C(C)(CO)CO)c1O 2253570388 MBBXDNKKVFBAGA-UHFFFAOYSA-N 253.298 0.308 10 10 CCCE OCc1ccc(N2C[C@H]3OCC[C@@]3(CO)C2)c(F)c1 2278878233 IVYBDXKMTBKAOA-KGLIPLIRSA-N 267.300 0.906 10 10 CCCE CCN(CCN=[N+]=[N-])[C@@H]1CN(CCOC)C[C@H]1O 2315991820 CTOMAKHPXDGDKN-GHMZBOCLSA-N 257.338 0.310 10 10 CCCE O=C(O)CCN(CCO)Cc1ccc(O)c(O)c1 2319837261 BDFBUYGUNFBUAM-UHFFFAOYSA-N 255.270 0.367 10 10 CCCE N[C@@H]1CC[C@@H]1S(=O)(=O)NCCc1ccc(O)c(O)c1 2338255987 WVBLMLBLFBWESH-SKDRFNHKSA-N 286.353 0.049 10 10 CCCE C[C@H]1CNC[C@@]1(C(=O)O)N(C)Cc1ccccc1O 2347723702 OHPIICCQHAUXFN-IINYFYTJSA-N 264.325 0.887 10 10 CCCE OCc1cc(F)c(N2C[C@H]3OC[C@H](CO)[C@H]3C2)c(F)c1 2355687716 NPMRXHCQWJHVIZ-OPQQBVKSSA-N 285.290 0.901 10 10 CCCE CN1C(=O)CNC[C@H]1c1cc([N+](=O)[O-])ccc1O 1952079725 QGSYDFDSTDBOFP-VIFPVBQESA-N 251.242 0.403 10 10 CCCE CNC[C@H]1CCCN1C(=O)c1cccc(O)c1O 126723811 NCARENIWLJEVLP-SECBINFHSA-N 250.298 0.922 10 10 CCCE C[C@@H](CO)N(C)S(=O)(=O)Cc1ccc(N)cc1 122120017 ITDNLDXKHPJYPO-VIFPVBQESA-N 258.343 0.411 10 10 CCCE CN(C)c1ccc(/C=C\C(=O)NC[C@H](O)CO)cc1 218220207 XRMQKLRTBJJGCH-UJZCVKTISA-N 264.325 0.235 10 10 CCCE COC(=O)C[C@](C)(N)c1cc(O)c(O)c(OC)c1 1952152395 MWBYGYKAEABUTN-LBPRGKRZSA-N 255.270 0.843 10 10 CCCE COC(=O)[C@@](C)(N)Cc1ccc(O)c(CN(C)C)c1 1952271684 GUAFFEIYZRFBSK-AWEZNQCLSA-N 266.341 0.887 10 10 CCCE N[C@H](Cc1ccc(O)c(O)c1)c1c[nH]nc1C(=O)O 1952235361 YAGWVCNHKQOSBE-MRVPVSSYSA-N 263.253 0.762 10 10 CCCE COc1ccc(N(C)C[C@@H](NC2CC2)C(N)=O)cc1 49972138 HCFKHFBHWLBQRW-CYBMUJFWSA-N 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O=C(c1cc(O)nc(O)c1)N1CCC[C@H]2CNC[C@@H]21 221511669 UOVFUXJXLMHNBM-WPRPVWTQSA-N 263.297 0.317 10 10 CCCE C[C@H]1CNC[C@H](CO)N(c2ccc3c(c2)OCO3)C1 217098125 CKTNFHPLOHBBMK-CMPLNLGQSA-N 264.325 0.822 10 10 CCCE C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ncn(C)n1 1634281081 XRUYWGJGPSTKGE-MRVPVSSYSA-N 276.296 0.646 10 10 CCCE CO[C@@H](C(=O)NCc1c(O)cccc1O)c1cnn(C)c1 1647270258 PUECWSPOOWJIIU-CYBMUJFWSA-N 291.307 0.835 10 10 CCCE C[C@H]1CCN(c2cc3c(cc2N)OCC(=O)N3)C[C@@H]1O 230218283 KLAUDYRNHGHZCL-UFBFGSQYSA-N 277.324 0.807 10 10 CCCE Nc1ccc(OCC(=O)N2C[C@H]3C[C@H]2[C@H]3CO)cc1 2138371448 PSXZEGMCOZDXBQ-ICCXJUOJSA-N 262.309 0.487 10 10 CCCE CCNC(=O)C1CN(c2ccc(CN)c(OC)c2)C1 2139697738 ZBKZRQXGLMIGAE-UHFFFAOYSA-N 263.341 0.726 10 10 CCCE NC(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(CO)c2)C1 236219254 NXZZMIYNZXAYQA-SECBINFHSA-N 279.296 0.789 10 10 CCCE CN(CCN1CCCC1=O)C(=O)Cc1ccc(N)cc1 237134495 NEQRESKVHGXIOP-UHFFFAOYSA-N 275.352 0.892 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC3(CC(N)C3)C2)cc1 1876152997 NOHJQVMGRSPLSA-UHFFFAOYSA-N 281.381 0.522 10 10 CCCE Cc1cccc(O)c1CN1CCN(C)[C@H](C(=O)O)C1 1963012773 HDUSAZGAEKLSKT-LBPRGKRZSA-N 264.325 0.901 10 10 CCCE C[C@H](O)c1cc(F)c(N2C[C@H](O)C[C@@H]2CO)c(F)c1 1880483447 YDIFCCIFVWDERJ-FXBDTBDDSA-N 273.279 0.950 10 10 CCCE CN(C)c1ccc([C@H](C(N)=O)N2CCNCC2)cc1 37945676 JNBLCZRNVBVNEJ-CYBMUJFWSA-N 262.357 0.184 10 10 CCCE COC(=O)CCN(CC(=O)O)Cc1ccc(N)cc1 1891910295 ZBUUUVMNHRNOEE-UHFFFAOYSA-N 266.297 0.719 10 10 CCCE CC(=O)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 1951864399 FVFYIUVIKMZPLL-BDAKNGLRSA-N 257.286 0.515 10 10 CCCE CN(C)c1ccc(CNC(=O)[C@H](N)[C@H]2CCOC2)cc1 1966785413 BYLSSAPSAVUZCG-GXTWGEPZSA-N 277.368 0.733 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CC=CCN1 1968739130 LHDVSCIPUCKCNA-NSHDSACASA-N 262.309 0.675 10 10 CCCE NCc1nc(C(=O)NCCc2ccc(O)c(O)c2)cs1 2148003074 GLLRKXOCZBOXBP-UHFFFAOYSA-N 293.348 0.986 10 10 CCCE O=C1N[C@@]2(CNCc3ccc(O)c(O)c3O)CC[C@H]1C2 2145559806 MIEBDTDZIIEQIO-RTHLEPHNSA-N 278.308 0.562 10 10 CCCE C[C@H](N)c1ccc(N2CCNC(=O)C(F)(F)C2)cc1O 2146736033 DWZOTOWMKSHDAU-QMMMGPOBSA-N 285.294 0.983 10 10 CCCE CN(c1cc(Cl)c(CN)cc1F)C(CO)CO 2008204862 GBNZNKDOKOLSNP-UHFFFAOYSA-N 262.712 0.727 10 10 CCCE C[C@]1(CNCc2cccc(O)c2O)COCCO1 2028712157 FMBXOHLSPJYZHO-ZDUSSCGKSA-N 253.298 0.993 10 10 CCCE CN1CC[C@H](C(=O)Cc2ccc(N)cc2)S1(=O)=O 2028978739 CICRCDRNCJGWAP-GFCCVEGCSA-N 268.338 0.414 10 10 CCCE Cc1cc(N2CCNCC2)ccc1OCCS(C)(=O)=O 63063261 ZNAINTNDEIRCGR-UHFFFAOYSA-N 298.408 0.828 10 10 CCCE CCNC(=O)C[S@](=O)CC(=O)N(C)c1ccc(N)cc1 312216230 VKRRSUORMOINBG-FQEVSTJZSA-N 297.380 0.116 10 10 CCCE Nc1ccc(CC(=O)N[C@H]2CCc3nncn3C2)cc1 2159984001 IYVHHRJOGMLKOU-LBPRGKRZSA-N 271.324 0.534 10 10 CCCE CCNCc1ccc(N2C[C@H]3C[C@H]2[C@@H](O)[C@@H]3O)c(F)c1 2160716851 OSPLWBJRDUZHPF-AQNFWKISSA-N 280.343 0.866 10 10 CCCE C[C@H](c1nn[nH]n1)N(C)C(=O)CCc1ccc(N)cc1 707244695 MIGYCKNSLUEEGX-SECBINFHSA-N 274.328 0.934 10 10 CCCE CNCc1ccc(N(C)Cc2nnnn2C)c(C)c1 707676600 MACPIXAVLGDBIO-UHFFFAOYSA-N 260.345 0.874 10 10 CCCE CN(C)C[C@@H](CO)NCc1ccc(N(C)C)cc1 716697528 BLMJPQWTNPIYAP-ZDUSSCGKSA-N 251.374 0.765 10 10 CCCE COc1cccc(CNCC(C)(CO)CO)c1O 393904501 SNDAQKAVGUUWFC-UHFFFAOYSA-N 255.314 0.481 10 10 CCCE Cc1cc(O)n2ncc(C(=O)NC[C@@H]3CC[C@H](O)C3)c2n1 2063042202 RGFQCXICVGEARB-ZJUUUORDSA-N 290.323 0.634 10 10 CCCE O=C(O)C[C@H]1CN(C(=O)c2ccc(O)c(O)c2)C[C@H]1O 2174357478 BQXDPZWYIWMPOA-GZMMTYOYSA-N 281.264 0.005 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CCO[C@H]2COC[C@@H]21 2192644573 SLSVHHVBHLIMLJ-KWQFWETISA-N 281.264 0.043 10 10 CCCE C[C@@H]1CO[C@@H](CO)CN1c1ccc(CO)c([N+](=O)[O-])c1 2188573372 FKQGICDODLZWRI-BXKDBHETSA-N 282.296 0.673 10 10 CCCE CN1CCC[C@@H](N(C)C(=O)c2cc(O)c(O)c(O)c2)C1 2188867630 DMAROFPFSKTMMT-SNVBAGLBSA-N 280.324 0.970 10 10 CCCE CO[C@@H]1C[C@H](NC(=O)c2cc(O)c(O)c(O)c2)C[C@@H]1N 2188917414 WRRAPFWMMJSXRY-VHSKPIJISA-N 282.296 0.038 10 10 CCCE CC[C@@](C)(NC(=O)c1cc(O)c(O)c(O)c1)C(=N)NO 2188920821 YQJUQKKFJNWCBW-GFCCVEGCSA-N 283.284 0.658 10 10 CCCE CC[C@@H](O)CN(C)c1ccc2c(c1)NC(=O)[C@H]2O 2044541099 JOKQYASNKMXHDD-SKDRFNHKSA-N 250.298 0.879 10 10 CCCE CC(C)S(=O)(=O)C[C@](C)(NCCN=[N+]=[N-])C(=O)O 2051045031 WVFDJQIORPSVMD-VIFPVBQESA-N 278.334 0.553 10 10 CCCE CN1C(=O)CO[C@@H]2CCN(Cc3ccccc3O)C[C@H]21 2185559342 CCILXXFUVPWAFE-TZMCWYRMSA-N 276.336 0.824 10 10 CCCE COC[C@H](C)NC(=O)CN1CCC[C@H]1CN=[N+]=[N-] 2059060488 WLHGTNXAFAQHIS-UWVGGRQHSA-N 255.322 0.912 10 10 CCCE CO[C@@H]1CS(=O)(=O)C[C@H]1N1CCC[C@@H]1CN=[N+]=[N-] 2059051565 OOHMZJLNSXZEPZ-OPRDCNLKSA-N 274.346 0.573 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@@H]3COC[C@@H]32)cc1 2066308882 JUKRCXVRXHFOOY-PWSUYJOCSA-N 268.338 0.429 10 10 CCCE C[C@@H](N)C1CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2068625355 XSANGUJLZWFOAG-ZCFIWIBFSA-N 252.270 0.223 10 10 CCCE NCC[C@H]1CCN(c2cc3c(cc2N)OCC(=O)N3)C1 2191619016 MGVHJFUUTZFTAM-VIFPVBQESA-N 276.340 0.775 10 10 CCCE C[C@@H](N)c1ccc(N2C[C@H](O)[C@H](O)[C@H]2CF)cc1 2084799202 SDCSUUGXLPVEAP-WRSRJMLGSA-N 254.305 0.586 10 10 CCCE 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0.409 10 10 CCCE COc1cc(N)ccc1N1C(=O)[C@@H]2COC[C@H]2C1=O 2338434452 CSDYAAFPPITSIV-RKDXNWHRSA-N 262.265 0.413 10 10 CCCE C[C@@H](O)CCN(C)c1cc2c(cc1N)OCC(=O)N2 135521465 ITBALYARWXAERC-MRVPVSSYSA-N 265.313 0.807 10 10 CCCE CCOC(=O)C(=O)N1CCN(c2ccc(OC)cc2)CC1 33851136 TUFNIVNKPUHAPT-UHFFFAOYSA-N 292.335 0.907 10 10 CCCE CC(C)[C@H](O)CNS(=O)(=O)Cc1ccc(N)cc1 124188080 ZCBPQORNBVLONO-GFCCVEGCSA-N 272.370 0.705 10 10 CCCE Nc1ccc(OCCNC(=O)Cn2ccnn2)cc1 134837856 UGPDHJFFMOXMHT-UHFFFAOYSA-N 261.285 0.056 10 10 CCCE CCOC(=O)[C@H]1CNCCN1[C@@H](C)c1cc(O)ccc1O 88658007 OJMNEVCKCBMHCB-GXFFZTMASA-N 294.351 0.996 10 10 CCCE NCc1ccc(N2C[C@H](O)[C@@H](O)C2)cc1Br 228157392 YKSTZZFNKCLAHO-QWRGUYRKSA-N 287.157 0.450 10 10 CCCE NC1(C(=O)N[C@H](Cc2ccc(O)c(O)c2)C(=O)O)CCC1 148062770 JINYGUKRECRPDD-SECBINFHSA-N 294.307 0.091 10 10 CCCE CN(C)Cc1cc(C2([C@H](N)C(=O)O)CC2)ccc1O 1952857819 HZNROVIAVDGQHT-GFCCVEGCSA-N 264.325 0.897 10 10 CCCE COC(=O)[C@@H]1C[C@@]1(N)c1ccc(O)c(CN(C)C)c1 1952950297 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C[C@@H](C(=O)N1Cc2cccc(O)c2C1)N1C(=O)CCC1=O 871199327 WJYSEQXBMCTWHP-VIFPVBQESA-N 288.303 0.772 10 10 CCCE COC[C@H](C)OC(=O)CN1CCOc2cc(CN)ccc21 74338402 ASMRTANJOUUQIO-NSHDSACASA-N 294.351 0.922 10 10 CCCE O=C(O)[C@H](O)C[C@H]1NCCc2c1ccc(O)c2O 75794152 HHUONCUCNCOBLM-PSASIEDQSA-N 253.254 0.120 10 10 CCCE COC(=O)/C=C/[C@@H]1NCCc2c1cc(O)c(O)c2O 75818934 VMUGMOPTQLYJCN-HPOULIHZSA-N 265.265 0.719 10 10 CCCE COc1ccc2c(c1)NC(=O)[C@@H]1C[S@](=O)CCN21 218042288 YJCDNNCHIASVDM-BBATYDOGSA-N 266.322 0.585 10 10 CCCE C[C@H]1CC[C@H](C(=O)O)CN1C(=O)c1cc(O)nc(O)c1 397074836 DDRAEJRHUDFUCN-YUMQZZPRSA-N 280.280 0.818 10 10 CCCE CN1[C@@H](C(=O)O)CC[C@@H]1C(=O)NCc1ccc(N)cc1 704618100 IJTKLZTVITWFDX-VXGBXAGGSA-N 277.324 0.432 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CCC[C@@H]2CNCC[C@H]21 714978297 GAJSHIOJSLEGGB-MWLCHTKSSA-N 277.324 0.707 10 10 CCCE CC(=O)c1cc(O)ccc1NS(=O)(=O)N1CCC1 795344767 JIHOEMUGZPALDB-UHFFFAOYSA-N 270.310 0.957 10 10 CCCE O=C(CN1CCCNC1=O)NCc1cccc(O)c1O 1303193451 MSKZZIXTJKYMMO-UHFFFAOYSA-N 279.296 0.129 10 10 CCCE Nc1ccc(NC(=O)N2CC3(CNC(=O)N3)C2)cc1 2121209485 RAASDLRXDMTKIB-UHFFFAOYSA-N 261.285 0.168 10 10 CCCE N[C@H]1CCN(Cc2cc(F)cc(F)c2O)C[C@H]1CO 2122373904 GLOGKAFWNIAGGB-CABZTGNLSA-N 272.295 0.812 10 10 CCCE Nc1ccc(OCC(=O)N2C[C@@H]3C[C@@H]3[C@H]2CO)cc1 1905545588 BPEMMPQLSQSWBT-TVYUQYBPSA-N 262.309 0.487 10 10 CCCE NC[C@]12C[C@@H]1CC[C@@H]2NC(=O)c1cccc(O)c1O 2132141904 QPDMPXHWZRARPK-YLGCSUCGSA-N 262.309 0.955 10 10 CCCE CN1CCCN(C(=O)c2cc(O)c(O)c(O)c2)CC1 2132351356 WTGUBBWPPUOUNX-UHFFFAOYSA-N 266.297 0.581 10 10 CCCE C[C@H](c1ccc(O)cc1O)N1CCN[C@H]2COC[C@@H]21 2132559971 OFBCEBCOZJVLKW-ICCXJUOJSA-N 264.325 0.831 10 10 CCCE CCOC(=O)[C@@H](NCCCN=[N+]=[N-])[C@H]1COCCO1 2134792203 DSDDSJOJCJBLNE-ZJUUUORDSA-N 272.305 0.624 10 10 CCCE CC(C)([C@@H]1CCCO1)[C@@H](NCCN=[N+]=[N-])C(N)=O 1912187176 IGRXYODBYKTXSY-IUCAKERBSA-N 255.322 0.945 10 10 CCCE COC(=O)[C@@H](C)S(=O)(=O)N1CC[C@H](CN=[N+]=[N-])C1 1912179180 QPHVXPDMAGQSEH-HTQZYQBOSA-N 276.318 0.510 10 10 CCCE 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Cc1cccc(O)c1CN[C@@H]1C[C@H]2C[C@H]1[C@@H](O)[C@H]2O 1974164759 YFMSLJIPLIVJAH-DTFMEENKSA-N 263.337 0.920 10 10 CCCE CCOC(=O)[C@@H](O)CN1CCc2cc([C@@H](C)N)ccc21 2145822541 WAGCGNKGRAAYHN-YGRLFVJLSA-N 278.352 0.993 10 10 CCCE COCCNC(=O)[C@H](C)NCc1ccc(N(C)C)cc1 157849554 UOKGAQKOMNYZIQ-LBPRGKRZSA-N 279.384 0.993 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3C[C@H]4C(CO)[C@@H]4C3)cc21 2146876818 KHOJNNCLKFYENY-JTNHKYCSSA-N 273.336 0.337 10 10 CCCE Nc1ccc(OC[C@H](O)CN2CCC(CO)CC2)cc1 36985235 ZZFMHRMOSCITMF-CQSZACIVSA-N 280.368 0.713 10 10 CCCE C[C@H](N)c1ccc(N2CC([S@](C)=O)C2)cc1O 2004525270 FBZJQHRZRIWCBS-QPFGOUBPSA-N 254.355 0.979 10 10 CCCE CCCN[C@H](c1ccccc1O)[C@@]1(O)CCS(=O)(=O)C1 2148151621 KEIZTJSRZIYAHL-ZIAGYGMSSA-N 299.392 0.983 10 10 CCCE CN[C@@H](c1ccccc1O)[C@]1(O)CCCS(=O)(=O)CC1 2148166374 WWAXTTCYUKFYJH-KBPBESRZSA-N 299.392 0.983 10 10 CCCE COC[C@@]1(O)CCCN(C(=O)Cc2ccc(N)cc2)C1 2151835850 ALCYZAAMUVJUTF-OAHLLOKOSA-N 278.352 0.811 10 10 CCCE C[C@@H](N)c1ccc(N2CCC([C@H](O)CO)CC2)cc1O 2152463354 FRIIDITWBSAFJS-MEBBXXQBSA-N 280.368 0.982 10 10 CCCE Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCCNS(N)(=O)=O 2157531905 INHREZTZEVXMKE-NXEZZACHSA-N 299.396 0.632 10 10 CCCE COCCNS(=O)(=O)N1CCC[C@@H](N=[N+]=[N-])CC1 2038001378 AVRCJVVRMXQSSK-SECBINFHSA-N 277.350 0.632 10 10 CCCE COCCN1C[C@H](O)[C@H](N(C)CCCN=[N+]=[N-])C1 2039191546 GEJBTMYAEGHYRA-MNOVXSKESA-N 257.338 0.310 10 10 CCCE CSC[C@H](NC(=O)Cc1ccc(N)cc1)C(=O)O 2040053069 ACVSILONTVFMSF-JTQLQIEISA-N 268.338 0.744 10 10 CCCE CNCc1ccc(N2CCC[C@@](O)(CO)C2)c(F)c1 313787145 INUMWCWKVICXGO-AWEZNQCLSA-N 268.332 0.869 10 10 CCCE O=C(NC[C@@]1(CO)CCCOC1)c1ccc(O)c(O)c1 700858528 TUTXZASDNVWTLO-CQSZACIVSA-N 281.308 0.617 10 10 CCCE O=C([C@H]1CNc2ccccc2N1)N1C[C@H]2C[C@H]1C[C@H]2O 2172090552 SYRHBMFBJFVTMJ-RDBQEKCUSA-N 273.336 0.874 10 10 CCCE Nc1ccc(NC(=O)CN2C[C@@H]3OCC[C@@H]3C2=O)cc1 2172038538 MONNOFVYEIHGDP-RYUDHWBXSA-N 275.308 0.455 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3CC(n4cccn4)C3)ccc21 707677717 WJJKKIFKTDCZJR-CYBMUJFWSA-N 269.308 0.896 10 10 CCCE COC[C@H](ON)C(=O)N(C)[C@H](C)c1ccccc1O 710481184 SDXAJGCUYQFLBS-SKDRFNHKSA-N 268.313 0.817 10 10 CCCE CN1CC[C@@H](N(C)c2ccc(CN)cc2F)C1=O 690221891 TZIKGMTZFFWURP-GFCCVEGCSA-N 251.305 0.951 10 10 CCCE COC[C@@](C)(O)CNC(=O)CCc1ccc(N)cc1 382541882 DOCPEZSOEVGOFU-AWEZNQCLSA-N 266.341 0.715 10 10 CCCE CN1CC[C@@](C)(NC(=O)c2ccc(O)c(O)c2)C1 716542721 PRFJBKKOSGOHFJ-CYBMUJFWSA-N 250.298 0.922 10 10 CCCE COC[C@@](C)(CO)NCc1cccc(OC)c1O 716870656 INLADPRCUSVYFV-CYBMUJFWSA-N 255.314 0.888 10 10 CCCE CCNCc1ccc(N2CC(=O)N[C@@H](C)C2)c(C#N)c1 387038063 RERYJMGJQKSXFN-NSHDSACASA-N 272.352 0.992 10 10 CCCE NCc1ccc(N2C[C@@H](O)C[C@@H]2CO)c(F)c1F 698183614 UOHQQGGLYPYTIU-BDAKNGLRSA-N 258.268 0.355 10 10 CCCE CC1(CS(C)(=O)=O)CN(C(=O)c2cccc(O)c2O)C1 2173205155 WQOMSHNLCTVKKQ-UHFFFAOYSA-N 299.348 0.605 10 10 CCCE O=C(NCc1ccccc1O)[C@H]1CCN2CCOC[C@H]12 2064443461 BRKUSXJUKQLAFS-QWHCGFSZSA-N 276.336 0.729 10 10 CCCE CN(Cc1ccc(N)cc1)C(=O)[C@H]1[C@@H]2CS(=O)(=O)C[C@@H]21 2174595867 BDCRJQKWXNHVTF-ITGUQSILSA-N 294.376 0.518 10 10 CCCE COc1nn(C)cc1Cn1ccc2c(c1=O)CNCC2 2167899300 INRFOCICDOLSAR-UHFFFAOYSA-N 274.324 0.284 10 10 CCCE COc1cccc(O)c1CN1C[C@@H]2CCO[C@]2(CN)C1 2175190645 RVNDLOMBRSNHRF-XHDPSFHLSA-N 278.352 0.950 10 10 CCCE C[C@@H](O)c1ccc(N2CCN(CCO)C(=O)C2)c(F)c1 2171074239 KJEIYGWBVACVDN-SNVBAGLBSA-N 282.315 0.520 10 10 CCCE CCN(c1ccc(CNC)cc1F)[C@H]1CC(=O)NC1=O 2171199506 XSQITGNCXJDSKJ-LBPRGKRZSA-N 279.315 0.787 10 10 CCCE O=C1Nc2cc(N3CCNC(=O)C34CC4)ccc2[C@@H]1O 2188546433 ZAQYAVUIFDIYAP-NSHDSACASA-N 273.292 0.141 10 10 CCCE O=C(NCC[C@H]1CCCNC1)c1cc(O)c(O)c(O)c1 2188923477 LFTXIIZZVDYYLZ-SECBINFHSA-N 280.324 0.923 10 10 CCCE C[C@H]1CCNC[C@H]1N(C)C(=O)c1cc(O)c(O)c(O)c1 2188912971 OAAFJODHOAYLOC-WCBMZHEXSA-N 280.324 0.873 10 10 CCCE Cc1cc(N2CC([C@H]3NC(=O)NC3=O)C2)ccc1CN 2184960435 RXHYSZGTRSYIKM-GFCCVEGCSA-N 274.324 0.098 10 10 CCCE FC1(F)Oc2ccc(N3CCNNCC3)cc2O1 2044326413 OGVORFJCFORACX-UHFFFAOYSA-N 257.240 0.922 10 10 CCCE C[C@H](c1cc(F)ccc1O)N1C[C@H](N)C[C@@H](O)C1 2049121819 WPUYAIGDDHLCHL-FBIMIBRVSA-N 254.305 0.986 10 10 CCCE Nc1cc2c(cc1N1CCNCC13CC3)NC(=O)CO2 2191550984 CFYLUWNCRWLQBB-UHFFFAOYSA-N 274.324 0.542 10 10 CCCE CN(Cc1cccc(Cl)c1O)[C@@H]1CC(=O)NC1=O 2051515777 WPKLPKAXSPCXGE-SECBINFHSA-N 268.700 0.893 10 10 CCCE NCCOCCCNC(=O)CCOc1ccc(N)cc1 2191652510 CJAURRNMWGRBDL-UHFFFAOYSA-N 281.356 0.519 10 10 CCCE CO[C@@H]1CNCC[C@H]1NC(=O)COc1ccc(N)cc1 2191667222 GDMJVDFPKKCDBZ-CHWSQXEVSA-N 279.340 0.141 10 10 CCCE Nc1ccc(OCCC(=O)N2C[C@H]3CC[C@]3(N)C2)cc1 2191716850 PHZSNCPJHUKRJF-ABAIWWIYSA-N 275.352 0.987 10 10 CCCE O=C(NC[C@H]1OCC[C@H]1F)c1ccc(O)c(O)c1 2058666921 DYRFDMANDHWTCQ-LDYMZIIASA-N 255.245 0.955 10 10 CCCE C[C@H]1[C@H](N)CCN1C(=O)c1cc(O)c(O)c(O)c1 2068625322 XLRXTCWNSVONAL-POYBYMJQSA-N 252.270 0.365 10 10 CCCE CCC(=O)[C@@H](C)NC(=O)c1cc(O)c(O)c(O)c1 2068620523 IJTCCJFCKKBUBX-ZCFIWIBFSA-N 253.254 0.901 10 10 CCCE NC[C@H]1CCCN1S(=O)(=O)Cc1ccc(N)cc1 2071568409 LSTFSYSAVGLRLC-GFCCVEGCSA-N 269.370 0.522 10 10 CCCE C[C@H](CN)CS(=O)(=O)N(C)Cc1ccccc1O 2072449307 WWBOCYVAOFEPIH-SNVBAGLBSA-N 272.370 0.749 10 10 CCCE OCc1ccc(N2CCO[C@@H]3COC[C@H]32)c(F)c1 2072508170 XQMRTFMONQZMLK-CHWSQXEVSA-N 253.273 0.922 10 10 CCCE N[C@H]1CCSC[C@H]1NC(=O)c1cccc(O)c1O 2077593412 NZXQSWNQPAXDNN-DTWKUNHWSA-N 268.338 0.660 10 10 CCCE O=C(O)[C@H]1C[C@H](O)CCN1Cc1ccccc1O 2081081530 HJZKWEMAZXTARX-GHMZBOCLSA-N 251.282 0.802 10 10 CCCE NC[C@H]1CO[C@H](CNC(=O)c2cccc(O)c2O)C1 2101331791 NNDOATPAYKFGNY-IUCAKERBSA-N 266.297 0.191 10 10 CCCE C[C@@](CO)(NC(=O)COc1ccc(N)cc1)C(F)F 2105093844 AAGOSGNDXGTEPZ-LBPRGKRZSA-N 274.267 0.780 10 10 CCCE CN[C@H]1CCC[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 2087729492 NRXJUXOLYVNIMZ-QWRGUYRKSA-N 264.325 0.897 10 10 CCCE C[C@H](C(=O)Nc1ccc(N)cc1)N1CC[C@H]1C(N)=O 2089358225 FUICZLUBHVENAK-KCJUWKMLSA-N 262.313 0.155 10 10 CCCE CNCCN(C)C(=O)NCCc1ccc(O)c(O)c1 2109571706 MXXCLMIKXICZFT-UHFFFAOYSA-N 267.329 0.501 10 10 CCCE CO[C@@H]1CN(C)C[C@H]1NC(=O)Cc1ccc(N)cc1 2095430667 PMNFOWNQTACNKK-CHWSQXEVSA-N 263.341 0.257 10 10 CCCE Nc1ccc(COCC2(O)CCS(=O)(=O)CC2)cc1 2113349909 YQEMSGOFQSFUEZ-UHFFFAOYSA-N 285.365 0.725 10 10 CCCE CCN[C@H](c1ccccc1O)[C@@](C)(O)CS(C)(=O)=O 2114032227 RMVJMCYCPOUNJR-OLZOCXBDSA-N 287.381 0.838 10 10 CCCE COc1ccc(N2CCOC[C@H]2[C@@H](O)CO)c(OC)c1 2235128714 GDRFQVDNYJLASK-STQMWFEESA-N 283.324 0.262 10 10 CCCE O=[N+]([O-])c1cc(CO)ccc1N1C[C@@H](F)C[C@@H](O)C1 2226283692 FBBRSASLGALIIN-VHSXEESVSA-N 270.260 0.996 10 10 CCCE COc1ccc(N(C)Cc2cn(C)nn2)c(CO)c1 2227709229 RGXRLZFDCJJLOA-UHFFFAOYSA-N 262.313 0.952 10 10 CCCE Cc1cc([C@H](C)N)ccc1N1CC[C@@](O)(CO)[C@@H](O)C1 2240757673 HZCHBEXCYILIKX-TUKIKUTGSA-N 280.368 0.309 10 10 CCCE CSc1ncc(CN=c2cc(N)[nH]c(=N)[nH]2)s1 2248704733 XQYBLBCLIPGSDU-UHFFFAOYSA-N 268.371 0.684 10 10 CCCE C[C@@H](N)c1ccc(N2CC(O)(C(F)(F)CO)C2)cc1 2272893233 ZTTPZCCPWQEWQK-SECBINFHSA-N 272.295 0.885 10 10 CCCE Cc1cc(N2C[C@H]3C[C@H]2[C@@H](O)[C@H]3O)ccc1[C@@H](C)N 2269662085 JNOIHLOJLIWOKU-QRZGQJJPSA-N 262.353 0.945 10 10 CCCE Cc1cc(N2CC(=O)NC(=O)[C@H]2C)ccc1[C@@H](C)N 2269667276 WCFJJGANRHGEMJ-NXEZZACHSA-N 261.325 0.866 10 10 CCCE CC(=O)c1cc(F)cc(CN2CC[C@H]2[C@H](O)CO)c1O 2286214234 OXKPCCRDQBHSFW-QWHCGFSZSA-N 283.299 0.661 10 10 CCCE CN(C)N=Nc1ccc(C(=O)N2CC(=O)NC(=O)C2)cc1 1084089804 BYKFFFPTEDWUOD-UHFFFAOYSA-N 289.295 0.346 10 10 CCCE CCN(CCN=[N+]=[N-])S(=O)(=O)c1cnn(C)c1 2300531610 JDFVDBNESOQJPS-UHFFFAOYSA-N 258.307 0.741 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@H]3CC[C@@H]2[C@H]3N)cc1 2332127181 VWFCTVLMOFUBIH-RTXFEEFZSA-N 281.381 0.520 10 10 CCCE Nc1ccc(CC(=O)NC[C@H]2C[C@@H]3NCC[C@H]23)cc1 2333244047 QVXCEIKWMNQRLL-BNOWGMLFSA-N 259.353 0.926 10 10 CCCE [N-]=[N+]=NC1CCN(C(=O)[C@@H]2COC[C@H]2C(=O)O)CC1 2338347963 NKLOFFIPILYOCU-RKDXNWHRSA-N 268.273 0.635 10 10 CCCE C[C@H]1CN[C@H]1C(=O)N1CCc2cc(O)c(O)cc2C1 2341149142 BFMULOZQQJMLGK-ISVAXAHUSA-N 262.309 0.590 10 10 CCCE CN1CCc2cc(CNCC[C@H](O)CCO)ccc21 2351739726 LBHVIMRFRDWPFA-AWEZNQCLSA-N 264.369 0.902 10 10 CCCE CCOc1ccc(C=C2C(=O)NC(=O)NC2=O)c(O)c1 3897752 GEKASQABADFABO-UHFFFAOYSA-N 276.248 0.540 10 10 CCCE COC(=O)[C@H](N)CC1(c2cc(O)c(O)c(O)c2)CC1 1952091521 URZSRLZBTXVENG-MRVPVSSYSA-N 267.281 0.725 10 10 CCCE C[C@@]1(CN)CCN(C(=O)c2cc(O)nc(O)c2)C1 381139057 QJBJREPMXQMBRB-LBPRGKRZSA-N 251.286 0.304 10 10 CCCE O=S1(=O)C=C[C@H](NCc2cccc(O)c2O)C1 88855463 LHQQKTWDQJEIRO-VIFPVBQESA-N 255.295 0.498 10 10 CCCE C[C@@H](c1c(O)cccc1O)N1CCS(=O)(=O)CC1 235498272 LEPNFYASSWMCNA-VIFPVBQESA-N 271.338 0.889 10 10 CCCE CN(C(=O)CN1CCN(C)[C@H]2C[C@@H]21)c1ccc(N)cc1 2168369853 FVDFTWUZHKGNOA-KBPBESRZSA-N 274.368 0.620 10 10 CCCE O=S(=O)(CC1(CO)CC1)Nc1ccc(O)cc1 2251573467 ULZMRCWNMGGLLF-UHFFFAOYSA-N 257.311 0.906 10 10 CCCE CC(C)NC(=O)CN(C)c1ccc2c(c1)NC(=O)[C@H]2N 723165292 VISZHJJGELHQTO-ZDUSSCGKSA-N 276.340 0.599 10 10 CCCE Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1COC(=O)N1 825980404 BTZQAKHOLVIAQB-LBPRGKRZSA-N 277.324 0.786 10 10 CCCE C/C=C/[C@@H](O)C(=O)NCc1cccc(OC)c1O 901126152 AJTCANOHWXPVOK-RXNUUUNCSA-N 251.282 0.954 10 10 CCCE c1cc(N2CCOCC2)ccc1CN[C@@H]1CNOC1 904420999 KXCJCFMTOCLOHM-CYBMUJFWSA-N 263.341 0.516 10 10 CCCE Cc1ccc(C(=O)NC23CCN(CC2)C3)c(O)c1O 913632084 OZAXZMYYNFYDJV-UHFFFAOYSA-N 262.309 0.984 10 10 CCCE C[C@H](NC[C@H](O)CS(C)(=O)=O)c1cc(F)ccc1O 927021248 BJZYIDWYUFNSMA-WPRPVWTQSA-N 291.344 0.587 10 10 CCCE C[C@@H](O)[C@@H](O)CNCc1ccc(N(C)C)c(F)c1 865738683 JEHIWPDTOMGKEB-RNCFNFMXSA-N 256.321 0.723 10 10 CCCE CSc1ncc(CN=c2[nH]nc(CN)o2)s1 2243803873 GWEPNRBEGGXOQR-UHFFFAOYSA-N 257.344 0.741 10 10 CCCE Cn1ncnc1C1(O)CN(Cc2cccc(Cl)c2O)C1 895619135 SEKRZSSYABWOEW-UHFFFAOYSA-N 294.742 0.878 10 10 CCCE COCCc1nnc([C@@H](N)c2ccc(O)c(O)c2)o1 83480973 NZDPILQCDPLMSP-NSHDSACASA-N 265.269 0.718 10 10 CCCE C[C@H](C(=O)O)c1nnc([C@@H](N)c2cc(O)ccc2O)o1 83588063 OCUNZESBKJGIPW-CDUCUWFYSA-N 279.252 0.717 10 10 CCCE OCCOCCNCc1ccc(N2CCNCC2)cc1F 84827247 UVTBYEULDUOMIU-UHFFFAOYSA-N 297.374 0.334 10 10 CCCE COc1ccc(CN2CCOC[C@@H]2C(=O)O)c(O)c1 88382348 FCSNDZONTHYTCR-LLVKDONJSA-N 267.281 0.686 10 10 CCCE COC[C@H](OC)C(=O)N(C)Cc1ccc(N)cc1 691142055 SAIJBCISKWJKQY-LBPRGKRZSA-N 252.314 0.889 10 10 CCCE O=C(O)[C@H]1CN(C(=O)c2cc(O)nc(O)c2)CC1(F)F 704296258 HKCRHLJWVMEZQW-ZCFIWIBFSA-N 288.206 0.285 10 10 CCCE Oc1c(F)cc(F)cc1CN[C@@H]1COCC[C@@H]1O 708420204 GJMVQUYTIXEFNW-MNOVXSKESA-N 259.252 0.910 10 10 CCCE CN(C(=O)c1cc(O)nc(O)c1)[C@@H]1CCC[C@H]1O 708580533 PUPVBMLIUBTKAA-RKDXNWHRSA-N 252.270 0.478 10 10 CCCE C[C@H](NC[C@@H](O)CN(C)C)c1ccc(O)cc1O 717359678 MHWFHUINVCGAPN-GXSJLCMTSA-N 254.330 0.671 10 10 CCCE C[C@@H](NCc1ccc(N2CCOCC2)cc1)[C@@H](O)CO 698979231 VHBBQBIEIJVLOZ-DOMZBBRYSA-N 280.368 0.355 10 10 CCCE CN1C(=O)CC[C@H](NC(=O)Cc2ccc(N)cc2)C1=O 90021908 BPNBVENVFYVUOS-NSHDSACASA-N 275.308 0.075 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CCO[C@H](CF)C3)ccc21 2115423262 PFRICHXABLSVTH-SKDRFNHKSA-N 265.288 0.813 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)[C@@H]2C[C@H]3CC[C@H]2CNC3)C1 2116587834 VGFJKLWTCHGAGS-UJPOAAIJSA-N 264.369 0.888 10 10 CCCE CN(C(=O)c1ccc(O)c(O)c1)[C@H]1CCC(=O)NC1 2127084528 UUFPHJXKAKCXGC-VIFPVBQESA-N 264.281 0.448 10 10 CCCE N[C@@H]1CC[C@H]1CC(=O)NCCc1ccc(O)c(O)c1 2126623498 TZWILTLAJQFLDY-WDEREUQCSA-N 264.325 0.884 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@H]2CO[C@H]3C[C@@H]2C3)cc1 2126726469 LPWZRVTURZFXRM-UHTWSYAYSA-N 282.365 0.866 10 10 CCCE N[C@@H]1CCc2cc(N3CCC(CO)(CO)C3)ccc21 2128311300 SGYHVTQXXGCXJJ-CQSZACIVSA-N 262.353 0.814 10 10 CCCE O=C(NCCN=c1cc[nH]cc1)c1c(F)ccc(O)c1O 1182434538 UXRHPFNCYDTQOQ-UHFFFAOYSA-N 291.282 0.896 10 10 CCCE C[C@@H](c1ccc(O)cc1O)N1C[C@@H](O)CC12CNC2 2130064476 XYZVTMCXDNVUJQ-ONGXEEELSA-N 264.325 0.567 10 10 CCCE O=C1C[C@@H](NCc2cccc(O)c2O)[C@@H]2CCCN12 2131981010 ZLFWEYKDYAVHGV-MNOVXSKESA-N 262.309 0.951 10 10 CCCE C[C@@H]1C[C@H](N)CCN1C(=O)c1cc(O)c(O)c(O)c1 2132408911 AQOBVTYPNRZUBG-VXNVDRBHSA-N 266.297 0.755 10 10 CCCE Cn1[nH]c(=NC(=O)c2cc(O)c(O)c(O)c2)cc1F 2132405226 XSVGPFHQOVIUBQ-UHFFFAOYSA-N 267.216 0.350 10 10 CCCE C[C@@H](F)[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)C(=O)O 2133550523 XWUZWFINOUKULE-SPGJFGJESA-N 273.216 0.344 10 10 CCCE CO[C@@H]1CS(=O)(=O)C[C@@H]1N1CCC[C@H](N=[N+]=[N-])C1 1912170743 BAYAIZKBCDZPSZ-LPEHRKFASA-N 274.346 0.573 10 10 CCCE O=C(O)[C@@H]1CSCN1C(=O)c1cc(O)nc(O)c1 19513688 QOQWDGAZJXPMEM-LURJTMIESA-N 270.266 0.093 10 10 CCCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](O)C(C)(C)O 1296245745 HAGGBEVEFLRFKE-PRHODGIISA-N 283.324 0.277 10 10 CCCE NCc1cc(F)c(N2CCCN(CCO)CC2)c(F)c1 227229177 MZMNUIRRAVTIRC-UHFFFAOYSA-N 285.338 0.928 10 10 CCCE COc1cc(C(=O)NCCc2ccc(O)c(O)c2)ncn1 1631517057 UNWQVFLDWFZQHB-UHFFFAOYSA-N 289.291 0.869 10 10 CCCE COCCN(CCO)C(=O)[C@H]1CNc2ccccc2N1 229884798 QEAVFIGHCDYXAY-CYBMUJFWSA-N 279.340 0.360 10 10 CCCE COc1cc(N(C)[C@@H]2CCC(=O)NC2)ccc1CN 2139697393 UROWRQASKNTVAZ-GFCCVEGCSA-N 263.341 0.869 10 10 CCCE C[C@H](c1cc(O)ccc1O)N1CCO[C@H](CN)C1 165524930 OMPZYDXYANUAPJ-MWLCHTKSSA-N 252.314 0.818 10 10 CCCE COCCNC(=O)[C@@H](C)NCc1ccccc1O 167881205 NUEYUHSKJORLCO-SNVBAGLBSA-N 252.314 0.633 10 10 CCCE Nc1ccc2c(c1)CC(=O)N2C(=O)C[C@H]1CCNC1 258813129 XEORFLGBWIAARS-SECBINFHSA-N 259.309 0.684 10 10 CCCE Cc1ccc(O)c(CNCC(=O)N2CCC(O)CC2)c1 1857868128 SICGQUWYSAMKJE-UHFFFAOYSA-N 278.352 0.774 10 10 CCCE C[C@@]1(N)CCN(c2cc3c(cc2N)OCC(=O)N3)C1 1876258490 KKNWOFFKSXUJHH-CYBMUJFWSA-N 262.313 0.527 10 10 CCCE Nc1ccc(OCC(=O)N[C@@H]2CCN[C@@H]3C[C@H]32)cc1 1876492242 WGGAAZGCXNGOFY-YNEHKIRRSA-N 261.325 0.514 10 10 CCCE CCOCCNC(=O)NCCOc1ccc(N)cc1 1876620769 IUUWSTQXTWXHFA-UHFFFAOYSA-N 267.329 0.983 10 10 CCCE N[C@]1(CCC(=O)NCc2ccccc2O)CCOC1 1966878779 RYOGEAZVDNAYST-CQSZACIVSA-N 264.325 0.906 10 10 CCCE COc1cccc(O)c1CN(C)C[C@H]1CNCCO1 1971194342 APQQGBUVHQSJSP-LLVKDONJSA-N 266.341 0.821 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1C[C@H]2CCS(=O)(=O)[C@H]2C1 2145080386 UHMDSDKOHLRFHQ-SKDRFNHKSA-N 297.332 0.357 10 10 CCCE CC(C)N(CC(N)=O)C(=O)COc1ccc(N)cc1 41662160 CMDGTJUTRGMVFR-UHFFFAOYSA-N 265.313 0.370 10 10 CCCE Nc1ccc(OCCCN2CCOC[C@@H]2CO)cc1 167989925 CBCUYAABOJXZST-ZDUSSCGKSA-N 266.341 0.731 10 10 CCCE C[C@@](O)(CS(C)(=O)=O)[C@H](N)c1ccccc1O 2003934013 YFRZTAOLOFGWRN-GHMZBOCLSA-N 259.327 0.188 10 10 CCCE CC(C)NC(=O)COc1ccc(N2CCNCC2)cc1 35650844 LMNGMLWKGKPSBG-UHFFFAOYSA-N 277.368 1.000 10 10 CCCE COc1nc(=NCCc2ccc(O)c(O)c2)[nH]cc1N 2157683684 JOPFOGGFTFQFII-UHFFFAOYSA-N 276.296 0.555 10 10 CCCE O=[N+]([O-])c1cc(CO)ccc1N1C[C@H](O)[C@H]2COC[C@H]21 2158390975 AJLNUMFDHHSUOE-BIMULSAOSA-N 280.280 0.283 10 10 CCCE C[C@@H](CS(N)(=O)=O)NCc1ccc(F)c(F)c1O 2035444440 HBJNDHZKZSWMCU-LURJTMIESA-N 280.296 0.437 10 10 CCCE [N-]=[N+]=NCCN[C@@]1(C(N)=O)CCCOC12CCC2 2040731507 WSYOMDMJYUGKPM-LLVKDONJSA-N 253.306 0.844 10 10 CCCE [N-]=[N+]=NCCCNS(=O)(=O)c1ccc([N+](=O)[O-])nc1 70302718 BJZKVAHUCBRHJO-UHFFFAOYSA-N 286.273 0.969 10 10 CCCE CNC(=O)C[S@@](=O)CCC(=O)Nc1ccc(N)cc1 311378134 JISRFCKMXIFFNE-IBGZPJMESA-N 283.353 0.092 10 10 CCCE NCc1ccc(N2CCC[C@](O)(CO)C2)cc1F 313655246 WNDFMNPTGWQNJQ-CYBMUJFWSA-N 254.305 0.608 10 10 CCCE CN[C@H](C)c1ccc(N2CCC[C@@](O)(CO)C2)cc1O 314407924 PCYLTDUMMVHWGW-ABAIWWIYSA-N 280.368 0.996 10 10 CCCE CC(C)C[C@@H](NS(C)(=O)=O)C(=O)NCCCN=[N+]=[N-] 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C[C@@H](C(=O)O)N1CC(NCc2ccc3c(c2)CCO3)C1 2188312862 OKJBGTXVVZEGJM-JTQLQIEISA-N 276.336 0.868 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N(C)C3CC(CO)C3)cc21 2193578251 GSFJFUVPYSSOFT-IUVQJJGASA-N 275.352 0.870 10 10 CCCE Nc1ccc(CCNC2CC3(C2)CS(=O)(=O)C3)cc1 2095683507 VUTINOPXUSTNDW-UHFFFAOYSA-N 280.393 0.978 10 10 CCCE CN(c1ccc2c(c1)NC(=O)[C@@H]2O)[C@H]1CCC(=O)NC1 2183457707 IAAYTGGPJZVDHJ-TVQRCGJNSA-N 275.308 0.387 10 10 CCCE NCc1ccc(N2C[C@H]3C[C@H]2[C@H](O)[C@H]3O)cc1F 2042553646 BHCZBRNRGJPIPW-YJRXYDGGSA-N 252.289 0.215 10 10 CCCE CNC1(C(N)=O)CN(c2ccc(OC)cc2F)C1 2047095757 RGJLUHYZSDVJBK-UHFFFAOYSA-N 253.277 0.098 10 10 CCCE [N-]=[N+]=NCCCN1CCCN(C[C@H](O)CO)CC1 2057912127 IQKVJIZAOBDWHO-NSHDSACASA-N 257.338 0.048 10 10 CCCE N[C@H]1CN(Cc2ccc(O)cc2O)CC[C@@H]1CO 2058510654 UKSCKVUHABMEND-PWSUYJOCSA-N 252.314 0.239 10 10 CCCE Nc1cc2c(cc1N1C[C@@H]3CNC[C@@H]3C1)NC(=O)CO2 2191589239 CEOLWNNJDZIXCV-DTORHVGOSA-N 274.324 0.255 10 10 CCCE NCC(F)(F)CCNC(=O)c1cccc(O)c1O 2064900665 SZZPUBWONJVURV-UHFFFAOYSA-N 260.240 0.812 10 10 CCCE CO[C@H]1CN[C@@H](CNC(=O)COc2ccc(N)cc2)C1 2191663756 MRWAPSKNPSCXJT-DGCLKSJQSA-N 279.340 0.141 10 10 CCCE NC(=S)c1cc(NC(=O)c2ccc(O)c(O)c2)ncn1 2186642231 IVNAMBMHQFZSRE-UHFFFAOYSA-N 290.304 0.774 10 10 CCCE CC1(N)CCN(c2cc3c(cc2N)OCC(=O)N3)CC1 2191627779 SNMBIAYJBWCKDZ-UHFFFAOYSA-N 276.340 0.917 10 10 CCCE Nc1cc2c(cc1N1CCO[C@H]3CNC[C@H]31)OCCO2 2191894018 KMTISMVWRREYRP-RISCZKNCSA-N 277.324 0.217 10 10 CCCE COc1cc(N2CCO[C@H](CO)C2)ccc1CO 2084015838 FBQMYBHIGKSAFP-LBPRGKRZSA-N 253.298 0.385 10 10 CCCE C[C@@]12CN(C(=O)c3cccc(O)c3O)C[C@]1(CO)C2 2109181169 FAQFCSMHDZUVHU-KGLIPLIRSA-N 263.293 0.942 10 10 CCCE COc1ccc(O)c([C@H](C)N2C[C@H](N)C[C@@H](O)C2)c1 2111814233 CUUGVHZFMCEWRR-HBNTYKKESA-N 266.341 0.856 10 10 CCCE Nc1ccc(CC(=O)N2C[C@@H]3OCCO[C@H]3C2)cc1 2093349294 OHIMTKURLGRCRR-STQMWFEESA-N 262.309 0.438 10 10 CCCE COc1ccc(CN[C@H]2CN(C)C[C@H]2OC)c(O)c1 2095432774 CIZDUHNIROXTPX-GXTWGEPZSA-N 266.341 0.819 10 10 CCCE C[C@H](N)c1ccc(N(C)[C@H]2CC(=O)NC2=O)cc1O 2114736482 ASGXHAVKIGXYAC-XVKPBYJWSA-N 263.297 0.263 10 10 CCCE COc1ccc(N2C[C@H]3C[C@H]2[C@@H](O)[C@@H]3O)c(F)c1 2219620364 VPNWFBSPBYECAY-SZOBPAOMSA-N 253.273 0.765 10 10 CCCE C[C@H]1NC[C@]1(Oc1ccc(N(C)C)cc1)C(=O)O 2221881714 AYYNSCWADITAJY-NOZJJQNGSA-N 250.298 0.947 10 10 CCCE COc1ccc(N2C[C@@H]3COC[C@]3(CO)C2)c(N)c1 2226150366 HXCSWBKLPIRTAP-QMTHXVAHSA-N 264.325 0.723 10 10 CCCE COc1ccc(N(C)Cc2ncnn2C)c(CN)c1 2227676772 DLEWZYAXHTYZTN-UHFFFAOYSA-N 261.329 0.919 10 10 CCCE Nc1ccc(OCCN2CC[C@@H]2[C@@H](O)CO)cc1 2258344427 UWZOFLWHUFHDOO-OLZOCXBDSA-N 252.314 0.075 10 10 CCCE COc1nccc(=NCCc2ccc(O)c(O)c2)[nH]1 2266800977 WQDJJHFPMBTJDG-UHFFFAOYSA-N 261.281 0.973 10 10 CCCE CO[C@H]1CCN(CCNC(=O)c2ccc(O)c(O)c2)C1 2283039916 FHIHNBMNFPEXGK-NSHDSACASA-N 280.324 0.548 10 10 CCCE CSc1ncc(CN[C@]2(C(=O)O)CCNC2)s1 2304547592 RVRYCESGZPXBFI-SNVBAGLBSA-N 273.383 0.771 10 10 CCCE C[C@@H](NC(=O)c1cc(O)nc(O)c1)[C@@H]1C[C@H]1C(=O)O 2330597781 JMEAQTAJNWBUOK-MHSYXAOVSA-N 266.253 0.332 10 10 CCCE O=C(N[C@H]1CC[C@@H](O)C1)[C@@H]1CNc2ccccc2N1 2330870633 NRYVXPKYPSOUED-CWSCBRNRSA-N 261.325 0.922 10 10 CCCE C[C@H]1C[C@]1(N)C(=O)N1CCc2cc(O)c(O)cc2C1 2341152227 LNGAHLNBIRSVAP-RMLUDKJBSA-N 262.309 0.720 10 10 CCCE Nc1ccc(OCCN2CC3(COC(=O)N3)C2)cc1 2351832389 AQYLICXEODTACT-UHFFFAOYSA-N 263.297 0.442 10 10 CCCE CN(C)C[C@@H](O)COC(=O)Cc1ccc(N)cc1 311022955 MBGOFUJVZCLVEM-GFCCVEGCSA-N 252.314 0.277 10 10 CCCE O=C(NC[C@@H]1C[C@@H]2CC[C@H]1N2)c1cc(O)c(O)c(O)c1 2356974689 AHNMXSGHBDDKLW-LPEHRKFASA-N 278.308 0.674 10 10 CCCE NC[C@@H](O)c1c(Br)cc(F)c(O)c1O 213346403 SNSPLVRASWFHPB-RXMQYKEDSA-N 266.066 0.992 10 10 CCCE NC(=O)[C@@H](NCC(F)(F)F)c1ccc(O)c(O)c1 37971323 XNVKUWLTKLLRFD-QMMMGPOBSA-N 264.203 0.776 10 10 CCCE CCN(C(=O)c1cccc(O)c1O)[C@H]1CCNC1 126097129 KXLDEKDPVPHLBA-VIFPVBQESA-N 250.298 0.922 10 10 CCCE CN[C@H](C)c1ccc(N2CCNC(=O)[C@H]2C)cc1O 93671639 FVHKBCURXJSEOC-NXEZZACHSA-N 263.341 0.997 10 10 CCCE CN(C(=O)c1ccc(O)c(O)c1)C1CCNCC1 234287346 YVBXCERSNAUPHT-UHFFFAOYSA-N 250.298 0.922 10 10 CCCE CC(=O)N(CCN)C(=O)N(C(C)=O)c1ccc(N)cc1 244160661 UXSCMZWQNWKSKU-UHFFFAOYSA-N 278.312 0.549 10 10 CCCE CCc1c(C(=O)OCC(=O)C(C)=O)[nH]c(C)c1C(N)=O 808530389 SPWGUISLECCCSH-UHFFFAOYSA-N 280.280 0.299 10 10 CCCE CC(=O)C(=O)COC(=O)[C@@H](C)N(C)CC(F)(F)F 808546797 BBSYJGRZFGTEMX-ZCFIWIBFSA-N 269.219 0.570 10 10 CCCE CN1CCN(c2cc3c(cc2N)OCC(=O)N3)[C@H]2C[C@H]21 2168356156 VFUXLPJKSBHZDG-NEPJUHHUSA-N 274.324 0.492 10 10 CCCE NCc1cc(F)c(N2C[C@H]3COC[C@@H](C2)C3O)c(F)c1 2167788381 VIRVRKOOERCRCN-XFLKPENQSA-N 284.306 0.867 10 10 CCCE CCCNC1CC(NC(=O)c2cc(O)nc(O)c2)C1 721629886 DOSPKKXFNYAWBQ-UHFFFAOYSA-N 265.313 0.753 10 10 CCCE C[C@H]1CN(CCO)CCN1C(=O)c1cc(O)cs1 854895883 DFFBAACAOJRWOT-VIFPVBQESA-N 270.354 0.592 10 10 CCCE O=C1OC[C@H]2CN(C(=O)c3cc(O)cs3)C[C@@H]12 863756414 VUFOEMHFKIIVOW-HTRCEHHLSA-N 253.279 0.699 10 10 CCCE O=c1ccc([C@@H]2NCCc3c2cc(O)c(O)c3O)n[nH]1 75819483 YTTGHZKTAUUDFP-LLVKDONJSA-N 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O=C(c1cccc(O)c1O)N1[C@H]2CC[C@H]1[C@@H](O)[C@H](O)C2 2190193288 URBWAEQFWKNZCW-OVLVYRFBSA-N 279.292 0.197 10 10 CCCE CC1CC(CO)(NC(=O)c2cc(O)nc(O)c2)C1 2045151937 SAUCAWRLTIPCQI-UHFFFAOYSA-N 252.270 0.384 10 10 CCCE Nc1ccc(CS(=O)(=O)NC[C@H]2C[C@H]2CO)cc1 2053966903 PJLRGEKNZHUPKW-MNOVXSKESA-N 270.354 0.317 10 10 CCCE O=C(Nc1nncs1)c1cc(O)c(O)c(O)c1 1865876296 BHOLLPDSNYAIGD-UHFFFAOYSA-N 253.239 0.907 10 10 CCCE CN1CC[C@@H](CNC(=O)COc2ccc(N)cc2)C1=O 2194698091 UHANXZJUNGWGAP-JTQLQIEISA-N 277.324 0.242 10 10 CCCE Cc1cc(N2CCC[C@H]2[C@@H](O)CO)ccc1CN 2059280212 NAIAMMHURXLMTJ-KBPBESRZSA-N 250.342 0.776 10 10 CCCE CN(CC(=O)N(C)c1ccc(N)cc1)C[C@H]1CCN1C 2186453522 LJOJJARRFPEPQJ-CQSZACIVSA-N 276.384 0.868 10 10 CCCE N[C@@]12CCC[C@]1(F)CN(C(=O)c1cc(O)nc(O)c1)C2 2198060547 OEBHCBAHHVTJFQ-QWHCGFSZSA-N 281.287 0.538 10 10 CCCE C[C@H]1[C@H](N)CCN1S(=O)(=O)CCOc1ccc(N)cc1 2191540875 RBBJBRIHNCUHCW-GXFFZTMASA-N 299.396 0.399 10 10 CCCE CN[C@H]1CCc2cc(N(C)C(CO)CO)ccc21 2065072077 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CCCE C[C@H](NC(=O)[C@H]1CC[C@H](O)CN1)c1ccccc1O 2264560609 OSBFGMQSRCWHHM-JBLDHEPKSA-N 264.325 0.682 10 10 CCCE C[C@]1(C(=O)O)CC[C@@]1(C)NC(=O)c1cc(O)nc(O)c1 2289933355 MEZIAUHCNJUCER-CHWSQXEVSA-N 280.280 0.866 10 10 CCCE Nc1ccc(CN2C[C@@H]3[C@H](C2)CS3(=O)=O)cc1 2299703691 AGOVGVWDDDEKNT-ZYHUDNBSSA-N 252.339 0.498 10 10 CCCE COc1ccc(N2C[C@@H]3C[C@H]2[C@@H](O)[C@H]3O)c(OC)c1 2333690534 KVVGGLJTZCTYNM-XBEUXYKBSA-N 265.309 0.634 10 10 CCCE C[C@](CN)(C(=O)O)N1CCc2cc(O)c(O)cc2C1 2350704980 GOSDFKSLBMKCAN-ZDUSSCGKSA-N 266.297 0.258 10 10 CCCE O=C1NC2(CO1)CN(c1ccc3c(c1)CC[C@H]3O)C2 2351841226 XJOWOUGMUXWGKL-GFCCVEGCSA-N 260.293 0.965 10 10 CCCE CC(C)(C[C@@H](N)C(=O)O)c1cc(O)c(O)c(O)c1 1951963233 CUPSEUQZUXOKST-SSDOTTSWSA-N 255.270 0.883 10 10 CCCE CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CNC(=O)C1 173196649 BFQNIJIXDSOFIY-JTQLQIEISA-N 289.335 0.614 10 10 CCCE CC[C@H]1C(=O)NCCN1[C@@H](C)C(=O)Nc1ccc(N)cc1 110676853 GOCMHWGEHIYAIU-GWCFXTLKSA-N 290.367 0.806 10 10 CCCE COc1cc(Cl)cc(CNOCC(N)=O)c1O 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O=C(c1cc(O)nc(O)c1)N1CC2CC1(C(=O)O)C2 694812359 ISDQDTGYAFKEBT-UHFFFAOYSA-N 264.237 0.182 10 10 CCCE COc1ccc(CN[C@@H]2CC(=O)N(C)C2=O)c(O)c1 88774177 NRLLVFUKGSCEOQ-SNVBAGLBSA-N 264.281 0.248 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)C2[C@@H]3CS(=O)(=O)C[C@@H]23)C1 2117935992 LGUHBWNVSDKVHV-DJLDLDEBSA-N 284.341 0.436 10 10 CCCE CN1CCN(c2ccc3c(c2)CC[C@@H]3N)C[C@@H]1CO 2128325173 PEYLAHDIZALSBK-HIFRSBDPSA-N 261.369 0.745 10 10 CCCE C[C@H](N)c1ccc(N2C[C@@H]3NC(=O)O[C@H]3C2)cc1O 2120393346 CENHTQKQUKZHGN-JWYUURKGSA-N 263.297 0.709 10 10 CCCE C[C@H](N)c1ccc(N2CC3(CNC(=O)N3C)C2)cc1 2121204880 BHEVEHJUBOQQIF-JTQLQIEISA-N 260.341 0.920 10 10 CCCE OCc1cc(F)c(N2CCC[C@H]2[C@@H](O)CO)c(F)c1 2123173221 UONJAJZKYDHYDL-RYUDHWBXSA-N 273.279 0.779 10 10 CCCE Nc1ccc(OCCN2CCC[C@H]2[C@H](O)CO)cc1 2123234813 SFFLMZKEDRXXAF-UONOGXRCSA-N 266.341 0.465 10 10 CCCE CC(=O)NC1CN(c2ccc(CO)c([N+](=O)[O-])c2)C1 2132059531 UCPSWFWATXBERV-UHFFFAOYSA-N 265.269 0.412 10 10 CCCE CCNCc1ccc(N2CC[C@@H](O)[C@@H](O)C2)c(F)c1 2132136366 LISJUDZNWFMSEG-KGLIPLIRSA-N 268.332 0.867 10 10 CCCE CNCc1ccc(N2CC[C@H]3C[C@H]2[C@@H](O)[C@H]3O)cc1 2134817693 SYXFKTVAXVBCSE-CYUUQNCZSA-N 262.353 0.726 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CCC2(CNC2)C1 1914192179 OFCZCVARNNVHSA-UHFFFAOYSA-N 262.309 0.462 10 10 CCCE CC(C)O[C@H]1CS(=O)(=O)C[C@H]1N(C)CCN=[N+]=[N-] 1912198480 GZRMMAFPBCWKJI-ZJUUUORDSA-N 276.362 0.819 10 10 CCCE CNCc1ccc(N2CC(C)(C(N)=O)C2)c(F)c1 1914219772 DRGSASOODJGWGN-UHFFFAOYSA-N 251.305 0.857 10 10 CCCE COc1ccc2c(c1)NC(=O)CCN2CC(=O)O 214924854 TWSFRZBAGDVPFS-UHFFFAOYSA-N 250.254 0.928 10 10 CCCE C[C@]1(O)CN(c2ccc3c(c2)CC[C@H]3O)CC[C@@H]1O 2136886102 LOEJVJGDIXRWMC-ILXRZTDVSA-N 263.337 0.988 10 10 CCCE O=C1N=C(N(CCO)CCO)S/C1=C\c1ccccc1 4158813 GLAVYPXJZFFNSP-BENRWUELSA-N 292.360 0.944 10 10 CCCE COC(=O)[C@@H](c1ccccc1O)N1CCCNCC1 166121913 MVVPTEBRBVXQHP-CYBMUJFWSA-N 264.325 0.902 10 10 CCCE COc1ccc(N(C)[C@H](CO)CCO)c(OC)c1 258860794 ZVTOOECRGZQOLJ-JTQLQIEISA-N 255.314 0.883 10 10 CCCE COc1cccc(O)c1CNC[C@@](C)(CO)OC 848560704 QEFXGOJAEYZWEP-ZDUSSCGKSA-N 255.314 0.888 10 10 CCCE CN1C[C@@H](O)[C@H](NCc2ccc(Cl)cc2O)C1 1942697444 ZWVTVBSRBXZWBS-ZYHUDNBSSA-N 256.733 0.810 10 10 CCCE CCO[C@@H]1C[C@@H](N)[C@H]1Nc1c(N)cccc1C(=O)O 1876458201 AAAJEJRNFDIADZ-CKYFFXLPSA-N 265.313 0.884 10 10 CCCE CN(C[C@@H]1COCCO1)c1ccc([N+](=O)[O-])c(CO)c1 2143686843 MQDBQQWDMULCEA-GFCCVEGCSA-N 282.296 0.939 10 10 CCCE CC(C)(C)OC(=O)N[C@H](CNN)Cc1ccc(O)c(O)c1 1951507376 RCWZKEWSNMYSOH-JTQLQIEISA-N 297.355 0.997 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)[C@H]1C=CCCN1 1968738675 CUGHUPIDMUWNNN-LLVKDONJSA-N 262.309 0.675 10 10 CCCE C[C@H]1C[C@H](N)CN1C(=O)Cc1ccc(O)c(O)c1 1971843783 NJUCCFHPISATBW-WPRPVWTQSA-N 250.298 0.588 10 10 CCCE Oc1c(F)cccc1CN[C@@H]1C[C@H]2C[C@H]1[C@@H](O)[C@@H]2O 1974156927 JITBJSTUWZOJOP-QELSEJFDSA-N 267.300 0.751 10 10 CCCE N[C@H](Cc1ccc(O)c(O)c1)c1nnc2cnccn12 40225947 UJYHOXCJWRMRNB-SECBINFHSA-N 271.280 0.778 10 10 CCCE CN(C)[S@](C)(=O)=NC(=O)c1cccc(O)c1O 2002254962 UWXYKZHGWMKBHK-QGZVFWFLSA-N 258.299 0.812 10 10 CCCE OCc1ccc(N2CC[C@@H](O)[C@H](O)C2)c(Cl)c1 2014979614 PWDMITBJSIDLRP-VXGBXAGGSA-N 257.717 0.764 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@H]2CCCC[C@H]2O)cc1 51993387 WJRXYWGKUSNNKQ-CHWSQXEVSA-N 284.381 0.992 10 10 CCCE CN1C[C@H](O)[C@H](NCc2ccc(F)c(F)c2O)C1 2029864177 PALHUASWTMCFDN-ZJUUUORDSA-N 258.268 0.435 10 10 CCCE CC1(C)CN[C@H]1CNC(=O)c1cc(O)nc(O)c1 2031687287 VKTCSDHONOZVRD-QMMMGPOBSA-N 251.286 0.221 10 10 CCCE CN1CCC[C@@H](OC(=O)COc2ccc(N)cc2)C1=O 2157364797 SHKSNHLAYJACLK-GFCCVEGCSA-N 278.308 0.812 10 10 CCCE CN1[C@H]2CC[C@@H]1C[C@@](NCCN=[N+]=[N-])(C(=O)O)C2 2041270688 ZFTASMLIPOGYMR-JZYVYDRUSA-N 253.306 0.966 10 10 CCCE COc1cccc(O)c1CNCc1nc(C(N)=O)co1 2160736272 OCXYCEHUGFICSD-UHFFFAOYSA-N 277.280 0.778 10 10 CCCE NCc1ccc(N2C[C@@H](CO)[C@@H](O)C2)cc1C(F)(F)F 317578287 BSECMCVPZSFBHX-CABZTGNLSA-N 290.285 0.954 10 10 CCCE C[C@](O)(CNC(=O)COc1ccc(N)cc1)C(F)F 698652704 OUTMPLANRKAKPA-LBPRGKRZSA-N 274.267 0.780 10 10 CCCE Nc1cc2c(cc1N1C[C@@H]3C[C@H](C1)C3O)NC(=O)CO2 2172927578 DJOKEGAAPMCUKA-SZIUVUDRSA-N 275.308 0.417 10 10 CCCE COC(CN(C)c1cc2c(cc1N)OCC(=O)N2)OC 714602871 XXQYEXBGRNTBQF-UHFFFAOYSA-N 281.312 0.655 10 10 CCCE CN(C)c1ccc(CNS(=O)(=O)CCON)cc1 722230950 VJPHIYCOSXYONR-UHFFFAOYSA-N 273.358 0.062 10 10 CCCE COCC[S@](=O)C[C@H](O)COc1ccc(N)cc1 722444118 RILVSLNEKNAYTP-ZMZPIMSZSA-N 273.354 0.404 10 10 CCCE CS(=O)(=O)C1(CNC(=O)COc2ccc(N)cc2)CC1 393671590 JVWIWVSHZFSGGL-UHFFFAOYSA-N 298.364 0.341 10 10 CCCE Nc1cccc(C(=O)O)c1N[C@@H]1CCn2ncnc2C1 2165433506 YSULXBOEFMCTKR-MRVPVSSYSA-N 273.296 0.985 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N=c1cc2n([nH]1)CCOC2 2062449059 QBCINWRKUSMALT-UHFFFAOYSA-N 289.291 0.428 10 10 CCCE O=S1(=O)C[C@@H](O)[C@H](NCc2c(O)cccc2Cl)C1 895687651 YIONPLKKRYYXJD-MWLCHTKSSA-N 291.756 0.293 10 10 CCCE C[C@@H](N[C@H]1CCN(CC(=O)O)C1)c1cc(O)ccc1O 2169332674 YUZPATSKCOMRAV-ZJUUUORDSA-N 280.324 0.907 10 10 CCCE CCOC(=O)Cc1cc(O)n2nc(C)c(C(=O)OC)c2n1 2080918059 NUOUMCJXSYTSOK-UHFFFAOYSA-N 293.279 0.636 10 10 CCCE COC(C)(C)[C@H](N)C(=O)NCCc1ccc(O)c(O)c1 2171048293 LNGRTWCLILSDKZ-GFCCVEGCSA-N 282.340 0.509 10 10 CCCE CC1(C)OC[C@H](NCc2cc3c(cc2O)OCO3)[C@H]1O 2199480285 LXSQCNSHZDACIQ-TVQRCGJNSA-N 281.308 0.749 10 10 CCCE C[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)C[C@@H](C)N1C 2188867814 HCZBXKSZIDLJHB-RKDXNWHRSA-N 280.324 0.968 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CC[C@H]2COC[C@@H]2C1 2188875239 PCQFIFCNLBZGPG-WPRPVWTQSA-N 279.292 0.912 10 10 CCCE Nc1cc2c(cc1N1CC[C@@H]3COC[C@@H]31)NC(=O)CO2 2198564112 HUXCZWMKWGFPMG-PELKAZGASA-N 275.308 0.825 10 10 CCCE C[C@@H](O)c1cc(F)c(N2C[C@H]3C[C@H]2[C@H](O)[C@@H]3O)c(F)c1 2194521727 YMTNTYSQOMLHOG-LVGSBCNQSA-N 285.290 0.948 10 10 CCCE C[C@H](O)c1cc(F)c(N(C)[C@H]2CC(=O)NC2=O)c(F)c1 2194514669 QKELJSCRFKZKHK-WKEGUHRASA-N 284.262 0.869 10 10 CCCE C[C@@H](O)c1cc(F)c(N2CC(=O)NC(=O)[C@H]2C)c(F)c1 2194515107 FPAVITXRWURSDE-RNFRBKRXSA-N 284.262 0.869 10 10 CCCE CN(C)CCN[C@H](C(N)=O)c1c(O)cccc1F 2042598111 VWXPBJVDGFXBGG-NSHDSACASA-N 255.293 0.209 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3C[C@H]4C[C@@H](O)C[C@H]4C3)ccc21 2185190824 SBCTXPBRGALYLW-SZRLZVLASA-N 273.336 0.846 10 10 CCCE CC1(CO)CC(NC(=O)c2cc(O)nc(O)c2)C1 2055635986 MBLWSBYCQHWWDU-UHFFFAOYSA-N 252.270 0.384 10 10 CCCE Nc1ccc(O)c(CN2CCC[C@@H]2[C@H](O)CO)c1 2059281428 YKQKJUCWFZQBPW-DGCLKSJQSA-N 252.314 0.292 10 10 CCCE CCS(=O)(=O)CC(=O)N1CCC[C@H](CN=[N+]=[N-])C1 2069113886 DIEICKPPJJWVKH-SECBINFHSA-N 274.346 0.970 10 10 CCCE CN(C)C(=O)NCCCNCc1ccc(O)c(O)c1 2101274454 OCPHVDXMQDOHGC-UHFFFAOYSA-N 267.329 0.849 10 10 CCCE COc1cc(N(C)CCNC(C)=O)ccc1CO 2084015991 JDVLFISSSCONCL-UHFFFAOYSA-N 252.314 0.760 10 10 CCCE COC(=O)[C@H](c1c(O)cccc1F)N1CCNCC1 2104473382 IVYVODZIBLEQDL-LBPRGKRZSA-N 268.288 0.651 10 10 CCCE OC[C@H]1CNCCN1c1ccc2c(c1)OC(F)(F)O2 2106378536 VVERQPYNBDEHPV-SECBINFHSA-N 272.251 0.779 10 10 CCCE CC[C@@H](O)CN(C)c1ccc2c(c1)N(C)C(=O)[C@H]2N 2106620487 JKQDJQCODUCAJM-MFKMUULPSA-N 263.341 0.870 10 10 CCCE C[C@H](C(=O)Nc1ccc(N)cc1)N1CC=C[C@H](O)C1 2108771944 BPPIIHYIEUFEGC-MFKMUULPSA-N 261.325 0.829 10 10 CCCE CNCc1ccc(N2C[C@@H](CO)C[C@H]2CO)cc1C 2089870654 RRSYIDCDBDBFAX-WFASDCNBSA-N 264.369 0.894 10 10 CCCE Nc1ccc(OCCS(=O)(=O)N2CC[C@H]2CO)cc1 2092547020 HBDTZBOHAHENHO-NSHDSACASA-N 286.353 0.044 10 10 CCCE N[C@H](c1ccccc1O)C1(O)CC2(C1)CS(=O)(=O)C2 2095695974 CGRGCEOBNVWVNO-LLVKDONJSA-N 283.349 0.332 10 10 CCCE N[C@@H]1CC[S@@](=O)(=NC(=O)Cc2ccc(O)c(O)c2)C1 2098125057 AYABMFGYKGMWHD-HOGDKLEQSA-N 284.337 0.366 10 10 CCCE Cn1nncc1S(=O)(=O)N1CCC[C@@H](N=[N+]=[N-])CC1 2099337318 UIXPSEKDCVCNAM-MRVPVSSYSA-N 285.333 0.669 10 10 CCCE COc1ccc(O)c([C@H](C)N2C[C@@H](O)C[C@@H]2C(=O)O)c1 2200853102 WEYKAXCZKVKKLM-HOTUBEGUSA-N 281.308 0.982 10 10 CCCE CS(=O)(=O)CCS(=O)(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-] 2218742578 REQXGBWYFVTIRL-SFYZADRCSA-N 296.374 0.182 10 10 CCCE C[C@H]1CN(CCNCc2ccc(O)c(O)c2)C(=O)N1 2230846275 PZNNHDGEJCKRSH-VIFPVBQESA-N 265.313 0.601 10 10 CCCE COc1cc(C)c(N2CC3(C2)OC[C@H](O)[C@H]3O)cc1C 2235100598 DFJXHUGPOWLQEJ-GXTWGEPZSA-N 279.336 0.623 10 10 CCCE COc1ccc(N2C[C@H]3C[C@@H](O)[C@H](O)[C@H]2C3)c(CN)c1 2235964910 ARGDKMWXRLHPOP-SEWBAHNZSA-N 278.352 0.474 10 10 CCCE N[C@@H]1[C@H]2C[C@@H](CN(Cc3c(O)cccc3F)C2)[C@@H]1CO 2239329584 BPNJBNROHIUYQG-PCVQNBPASA-N 280.343 0.919 10 10 CCCE CCN=c1nc[nH]c(=NCc2cnc(SC)s2)[nH]1 2257127345 MYKKWDLJMQVWMF-UHFFFAOYSA-N 282.398 0.938 10 10 CCCE O=C(NCc1ccccc1O)[C@@H]1CCOCCN1 2257608115 AYZLSXHVARPHKP-NSHDSACASA-N 250.298 0.387 10 10 CCCE Cc1cc(N2CC[C@@H]2[C@@H](O)CO)ccc1[C@H](C)O 2258343886 SEALQGJVCWFXNS-GDLCADMTSA-N 251.326 0.980 10 10 CCCE CS(=O)(=O)[C@H]1C[C@H](C(=O)N2CC(N=[N+]=[N-])C2)C1 2249049820 HDGATYUYZGGORS-FKQCQYRASA-N 258.303 0.331 10 10 CCCE O[C@@H](c1ccc(N2CCNCC2)cc1)c1ncc[nH]1 2270550915 LIAIOKYVORDAKX-ZDUSSCGKSA-N 258.325 0.901 10 10 CCCE C[C@H](N)c1cc(F)c(N2CC(O)(CCO)C2)c(F)c1 2270670888 PHADIVGVFRWGSQ-QMMMGPOBSA-N 272.295 0.918 10 10 CCCE COc1cc(OC)c(N2CCNNCC2)cc1OC 2273719753 YFKDPTLFPZDWSG-UHFFFAOYSA-N 267.329 0.627 10 10 CCCE Nc1ccc(NC(=O)CN2CC[C@@H](O)[C@H](O)CC2)cc1 2284563957 SJLAFGCPQIFTPF-CHWSQXEVSA-N 279.340 0.025 10 10 CCCE Cn1cc([C@H](O)c2ccc(N3CCNCC3)cc2)nn1 2286069182 WOTONMWPHRKZPP-CQSZACIVSA-N 273.340 0.306 10 10 CCCE CSc1cc(N2C[C@@H](CO)[C@@H](O)C2)ccc1CN 2328537358 CTRTWMZYCGWEJK-JQWIXIFHSA-N 268.382 0.657 10 10 CCCE C[C@H](O)c1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)c(Cl)c1 2332915998 KBSKVSHGOCGCFK-VGYUKGMSSA-N 287.743 0.296 10 10 CCCE C[C@](NCCCN=[N+]=[N-])(C(N)=O)[C@H]1C[C@@H]2CCO[C@@H]21 2333157754 YWJDBSMYBQXBLH-QFOLPQNPSA-N 267.333 0.945 10 10 CCCE C[C@@H]1C[C@]1(N)C(=O)N1CCc2cc(O)c(O)cc2C1 2341152229 LNGAHLNBIRSVAP-XLKFXECMSA-N 262.309 0.720 10 10 CCCE CN([C@@H]1CNC[C@@H]1F)S(=O)(=O)Cc1ccc(N)cc1 2343635246 FMOXCKBKQOUQKK-NWDGAFQWSA-N 287.360 0.340 10 10 CCCE COC(=O)C[C@H](C)NC(=O)c1cc(O)nc(O)c1 302523511 FFMZGNIGHURQNV-LURJTMIESA-N 254.242 0.174 10 10 CCCE O=C(NC[C@@H]1CCCNC1)c1cccc(O)c1O 126102666 ROBFNAPCPOSNHV-SECBINFHSA-N 250.298 0.827 10 10 CCCE O=S1(=O)C=C[C@H](NCc2cccc(F)c2O)C1 158797634 CBLRSWQPTVXNCY-VIFPVBQESA-N 257.286 0.932 10 10 CCCE COC(=O)[C@H](C)NC(=O)c1ccn(-c2ccc(N)cc2)n1 49351373 YPJNDMZKKPZQIZ-VIFPVBQESA-N 288.307 0.746 10 10 CCCE CCOC(=O)[C@@](C)(N)C1(c2cc(O)nc(O)c2)CC1 1952431992 SDACGFXALMJMOR-GFCCVEGCSA-N 266.297 0.805 10 10 CCCE COc1ccc(CN(C)CC(C)(CO)CO)c(O)c1 93502906 VHKMMBFHMHNLRA-UHFFFAOYSA-N 269.341 0.824 10 10 CCCE CCN(C(=O)c1ccc(O)c(O)c1)[C@H]1CCNC1 233480857 DEXDNYHJBRXHSI-JTQLQIEISA-N 250.298 0.922 10 10 CCCE COc1cc2c(c(OC)c1OC)[C@@](CN)(N(C)C)CN2C 527417068 FVFHLYRIHFSJMH-HNNXBMFYSA-N 295.383 0.878 10 10 CCCE CC(=O)N(c1ccc(N)cc1)S(=O)(=O)NC1CC1 244373586 YAHCVMYMSFSIJN-UHFFFAOYSA-N 269.326 0.619 10 10 CCCE C[C@@H]1CC[C@H](C(N)=O)CN1c1ccc2c(c1)NC(=O)[C@H]2N 251899504 SKKMLEWENYRNOV-ZDMBXUJBSA-N 288.351 0.729 10 10 CCCE CCN(CC)c1ccc([C@H](O)[C@@H](N)C(=O)O)cc1 1951883243 CCBWWKURDIYOHK-NEPJUHHUSA-N 252.314 0.978 10 10 CCCE NC(=O)CC(=O)NCc1ccc(N2CCCC2)cc1 265847819 UFIMZWXFJKNAGZ-UHFFFAOYSA-N 261.325 0.778 10 10 CCCE CC(=O)C(=O)COC(=O)Cn1ccc2ccccc2c1=O 808545558 FOMGVMIHWZDULN-UHFFFAOYSA-N 287.271 0.703 10 10 CCCE CC(=O)C(=O)CSc1nnc(-c2ccccn2)n1N 808022800 RDRLBUVCMVQZHP-UHFFFAOYSA-N 277.309 0.304 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@H]2CC23CC(O)C3)cc1 724944345 DMDXMBAFEDUURO-CPCZMJQVSA-N 282.365 0.602 10 10 CCCE COC(=O)CCCS(=O)(=O)NCCN=[N+]=[N-] 42535290 FQDNNZJRYUBRJQ-UHFFFAOYSA-N 250.280 0.169 10 10 CCCE CN(C)C[C@@]1(O)CCCN(C(=O)c2cc(O)cs2)C1 834565611 VORMGYDSPUTHJV-ZDUSSCGKSA-N 284.381 0.982 10 10 CCCE CCCn1nnnc1COC(=O)Cc1ccc(N)cc1 698128048 NJXHEKIZKDUTNO-UHFFFAOYSA-N 275.312 0.951 10 10 CCCE COC(=O)[C@H]1C[C@H](O)CN1Cc1cc(F)cc(F)c1O 1350318980 ATBOFJFVFCJFAI-GXSJLCMTSA-N 287.262 0.779 10 10 CCCE NCc1nnc(-c2cc(O)c(O)c([N+](=O)[O-])c2)o1 83391087 KUXITICRQHHKLJ-UHFFFAOYSA-N 252.186 0.515 10 10 CCCE COC(=O)[C@H](O)CCNCc1ccc(O)cc1O 83408729 NJFBGFMUFOFBRN-SNVBAGLBSA-N 255.270 0.111 10 10 CCCE Cc1cccc(CNC(=O)CC[C@H](N)C(=O)O)c1O 83483699 FQTFLRGWQMRMJK-JTQLQIEISA-N 266.297 0.509 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CC[C@H](N4CCC4)C3)ccc21 702304852 YCHSHNYJHUBKAX-FZMZJTMJSA-N 272.352 0.923 10 10 CCCE CNC(=O)[C@H](C)N1CCN(c2ccc(N)cc2)CC1 57470024 WSKHEYBBTJTNRH-NSHDSACASA-N 262.357 0.525 10 10 CCCE O=C(O)CN1CCN(Cc2cc(Cl)ccc2O)CC1=O 705750578 FNWPVBVXBWCUBL-UHFFFAOYSA-N 298.726 0.774 10 10 CCCE CN(C[C@H](O)C1CC1)c1ccc2c(c1)N(C)C(=O)[C@@H]2N 690278492 PECSAWUQLPFDRS-UONOGXRCSA-N 275.352 0.870 10 10 CCCE CCN(CC1CN(C)C1)S(=O)(=O)Cc1ccc(N)cc1 692282058 HBOQPNRNQBFJOT-UHFFFAOYSA-N 297.424 0.982 10 10 CCCE O=C(N[C@H]1CCC[C@H](O)C1)c1cc(O)nc(O)c1 694563011 VLBSCJBXIUKXJC-IUCAKERBSA-N 252.270 0.526 10 10 CCCE CN(C)c1ccc(CNC(=O)[C@@]2(N)CCOC2)cc1 85912371 DYIILZCLXKTTEK-CQSZACIVSA-N 263.341 0.487 10 10 CCCE Oc1ccccc1CN=c1[nH]cnc2c1CCNC2 2117202140 DLUMSPVJEIVZIL-UHFFFAOYSA-N 256.309 0.862 10 10 CCCE Nc1ccc(CCOCC(=O)N2CCOCC2)cc1 2119733244 KELZXPDKCPFGMV-UHFFFAOYSA-N 264.325 0.687 10 10 CCCE C[C@@H]1C[C@]1(NC(=O)Cc1ccc(O)c(O)c1)C(=O)O 2121993423 XDMMYIGGMDYDGA-FUXBKTLASA-N 265.265 0.620 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C[C@H]1CN(C(=O)COc2ccc(N)cc2)C[C@@H]1CN 1876482268 IQMBQVRUHCMCSO-QWRGUYRKSA-N 263.341 0.701 10 10 CCCE Nc1ccc(CCC(=O)N=[S@]2(=O)CC[C@@H](N)C2)cc1 1876446732 MMRBVTZISYXTOF-BLVKFPJESA-N 281.381 0.927 10 10 CCCE Cn1nnc2c1CCN(C(=O)Cc1ccc(N)cc1)C2 1963366797 GRSZKBJWHDPBTA-UHFFFAOYSA-N 271.324 0.525 10 10 CCCE Nc1ccc(O)c(CN2CCC(OCCO)CC2)c1 128829919 FLNBRAYBRQCOBF-UHFFFAOYSA-N 266.341 0.948 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3CCN4CCC[C@H]4C3)ccc21 250035668 UHAHGJCBZKUAHB-SMDDNHRTSA-N 272.352 0.923 10 10 CCCE CS(=O)(=O)c1cc(O)c(CN2CCNCC2)cc1F 258612670 RTCIUQWKKCAORA-UHFFFAOYSA-N 288.344 0.340 10 10 CCCE C[C@H](N)c1ccc(N2C[C@@H](CO)[C@H](CCO)C2)cc1O 2149912743 FSIZDLLFHLLVGX-TUAOUCFPSA-N 280.368 0.839 10 10 CCCE CN1CCc2cc([C@@H](O)C(=O)c3nnn(C)n3)ccc21 2147118747 RIIOFLMOECCSMW-LLVKDONJSA-N 273.296 0.119 10 10 CCCE C[C@H](c1ccc(O)cc1O)N1CCO[C@H]2[C@@H]1[C@H]2C(=O)O 2149295358 YKAUSNYSWLZWDB-WXVIEYFRSA-N 279.292 0.943 10 10 CCCE O=C(N[C@@H](CCO)C1CC1)c1cc(O)nc(O)c1 2029963568 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Nc1ccc(NC(=O)N[C@@H]2COC3(COC3)C2)cc1 2270767367 HGBMBGOQSCYYDM-NSHDSACASA-N 263.297 0.948 10 10 CCCE NC(CF)(CF)C(=O)NCCc1ccc(O)c(O)c1 2277930617 DXCNYQYEZFDYRJ-UHFFFAOYSA-N 274.267 0.393 10 10 CCCE Cc1cc(N2CC([C@@H](O)CO)C2)ccc1[C@H](C)N 2315157856 ZFWQRBLWAZYIMP-HZMBPMFUSA-N 250.342 0.804 10 10 CCCE NCc1ccc(N2[C@H]3CC[C@@H]2C[C@H](O)[C@@H]3O)cc1F 2331964934 PETFXRGRCZUUAG-VZZFWQQMSA-N 266.316 0.747 10 10 CCCE Cc1c([C@@H](C)N)ccc(N2CC(=O)NC(=O)C2)c1C 2340860204 UIJHYKUOOFJAAB-SNVBAGLBSA-N 261.325 0.786 10 10 CCCE CN(C)c1ccc(CN[C@]2(C(=O)O)CCNC2)cc1 2345089614 RXBNXNFHFGNMFD-CQSZACIVSA-N 263.341 0.659 10 10 CCCE CCn1nnc(CNCc2c(O)cccc2OC)n1 1893034183 JWGRYZLYJLDWRZ-UHFFFAOYSA-N 263.301 0.697 10 10 CCCE C[C@@H](O)c1cc(F)c(N2C[C@@H]3C[C@H]2[C@H](O)[C@H]3O)c(F)c1 2357381685 YMTNTYSQOMLHOG-KXECIIMJSA-N 285.290 0.948 10 10 CCCE C[C@H]1CCN(C(=O)c2ccc(O)c(O)c2)[C@H]1CO 226332323 XHSMCXJTTCMTOJ-WPRPVWTQSA-N 251.282 0.941 10 10 CCCE CN(CCNCc1ccc(O)c(O)c1O)C1CC1 234302069 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O=C(c1cccc(O)c1O)N1CC[C@@](O)(C(F)F)C1 1141127897 XNWDEEDFUVPAFF-LBPRGKRZSA-N 273.235 0.940 10 10 CCCE CC1(C)[C@@H](O)CCN1C(=O)c1cc(O)c(O)c(O)c1 170190677 GBXZSIZCLZTDEH-JTQLQIEISA-N 267.281 0.789 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3CC4(CC[C@H]4O)C3)ccc21 2123113597 CUBDIRRPIPTBIO-VXGBXAGGSA-N 259.309 0.600 10 10 CCCE OCC1(CO)CN(c2ccc3c(c2)CCC[C@H]3O)C1 2128278420 DMNPYRJFQAJKKU-CQSZACIVSA-N 263.337 0.847 10 10 CCCE CN1C(=O)O[C@H]2CN(c3ccc(CN)c(F)c3)C[C@@H]21 2120411011 PBFDMUCIFWUQJA-RYUDHWBXSA-N 265.288 0.924 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CC[C@H]4[C@@H]3C[C@H]4O)ccc21 2121681917 ANNUEXJYXCYLND-SYEHKZFSSA-N 259.309 0.598 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1[C@H](CO)[C@H]2CC[C@@H]1C2 2122156792 YCZQYQYEAOSIQL-FXBDTBDDSA-N 264.281 0.478 10 10 CCCE C[C@H](c1c(O)cccc1O)N1CC[C@@H](CO)[C@@H](N)C1 2122334180 KMXFYFYXTKKPSH-VWYCJHECSA-N 266.341 0.800 10 10 CCCE Cc1cc(CN)ccc1N1C[C@@H]2C[C@H](C1)[C@H](O)[C@H]2O 2126162267 QSTJFCJAFJSNOH-NEBZKDRISA-N 262.353 0.632 10 10 CCCE CN1CC[C@@H](Nc2c(N)cccc2C(N)=O)CC1=O 2131972625 JLGIVNUAADMESH-MRVPVSSYSA-N 262.313 0.400 10 10 CCCE NC[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)COc1ccc(N)cc1 1905414837 LICHVHSJQWGCQS-OASPWFOLSA-N 261.325 0.453 10 10 CCCE NC[C@H]1CC[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)C1 2132409995 JONGIPWYMHTYDK-IONNQARKSA-N 266.297 0.661 10 10 CCCE O=C(N[C@H]1C[C@@H]([C@@H](F)CO)C1)c1cc(O)nc(O)c1 1906454225 WQPYLIRMDNJDIB-ZQARSLAVSA-N 270.260 0.332 10 10 CCCE CCN1C[C@H](N2CCc3cc(CN)ccc32)[C@H](O)C1 2133389337 DZHFDBTUFYYFPH-LSDHHAIUSA-N 261.369 0.573 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC[C@H](O)[C@@H]2CC[C@H]21 2133717972 CVCUBNRSPOKQKI-BBBLOLIVSA-N 264.281 0.478 10 10 CCCE C[C@@H](C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1)S(C)(=O)=O 1912184669 GKKRHYMBLGAJCA-IUCAKERBSA-N 274.346 0.968 10 10 CCCE CN(CC1(CO)CC1)c1cc2c(cc1N)OCC(=O)N2 1915511610 PXDVKSSCIXIUBC-UHFFFAOYSA-N 277.324 0.808 10 10 CCCE Nc1ccc(OCCN(CCO)C2COC2)cc1 1915542705 VTELCHSHMMYTBN-UHFFFAOYSA-N 252.314 0.341 10 10 CCCE Nc1ccc(Cn2nnnc2CCn2ccccc2=O)cc1 213323972 XJPNOJVUCAVNLZ-UHFFFAOYSA-N 296.334 0.708 10 10 CCCE CNCc1ccc(N2C[C@@H]3C(C(N)=O)[C@H]3C2)c(C)c1 2136614464 PGWWHNYSVYCYJW-RYUDHWBXSA-N 259.353 0.882 10 10 CCCE NC(=O)N1CCC[C@@H](C(=O)NCc2cccc(O)c2O)C1 1558160435 WBVSIAMUOVDSKW-SNVBAGLBSA-N 293.323 0.505 10 10 CCCE CC(C)[C@H](NC=O)C(=O)NCc1c(O)cccc1O 1635848078 ZBPXWVSJTOXAJY-LBPRGKRZSA-N 266.297 0.485 10 10 CCCE CN1CC[C@@H](NC(=O)[C@@H]2CNc3ccccc3N2)C1 229878764 STYSUXMBVOECKU-MFKMUULPSA-N 260.341 0.713 10 10 CCCE O=C(CCN1CCCC1=O)NCc1cc(O)ccc1O 1593873660 VMXPKWJGHBOUHO-UHFFFAOYSA-N 278.308 0.727 10 10 CCCE C[C@@]1(CNC(=O)NCc2ccccc2O)CCC(=O)N1 1673426075 FIXZNRXZXZMDBB-AWEZNQCLSA-N 277.324 0.860 10 10 CCCE COc1cc(N2CC[C@@H](NC(N)=O)C2)ccc1CN 2139700614 LWTFZGCBAIZBHB-SNVBAGLBSA-N 264.329 0.401 10 10 CCCE O=C(O)C[C@@H]1C(=O)NN(c2ccc(F)c(F)c2)C1=O 106670066 YLNZIDAKGWZPBH-ZCFIWIBFSA-N 270.191 0.434 10 10 CCCE CNCc1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CF)cc1C 2140661477 GTMDJJZSBIDLNJ-MELADBBJSA-N 268.332 0.594 10 10 CCCE C[C@@H]1OCC[C@@]1(O)CNC(=O)Nc1ccc(N)cc1 1876149641 OITQSJMZKMCEIB-TVQRCGJNSA-N 265.313 0.930 10 10 CCCE Nc1ccc(OCCC(=O)N[C@@H]2C=CCNC2)cc1 1876487620 VVXOHHTYCYAULZ-GFCCVEGCSA-N 261.325 0.682 10 10 CCCE NC[C@@H]1C[C@@H](F)CN1C(=O)COc1ccc(N)cc1 1876440400 AZJKPUNJPPPNKG-KOLCDFICSA-N 267.304 0.545 10 10 CCCE C[C@@H]1NCC[C@H]1NC(=O)CCOc1ccc(N)cc1 1876522984 IELYILYUNIMHGF-GXFFZTMASA-N 263.341 0.904 10 10 CCCE CNCc1cc(F)c(N2CCC2(CO)CO)c(F)c1 1879987136 QHIUSIWPBMVQRY-UHFFFAOYSA-N 272.295 0.618 10 10 CCCE C[C@@]1(NC(=O)c2cccc(O)c2O)CCNC1=O 889031664 MRMXPKCIYJVYEI-GFCCVEGCSA-N 250.254 0.106 10 10 CCCE C[C@]1(O)CCN(c2ccc(CN)c(F)c2)C[C@]1(C)O 1880697895 KJRPTTMTAHINOS-KBPBESRZSA-N 268.332 0.997 10 10 CCCE CN(C)C(=O)OC1CN(C(=O)c2cccc(O)c2O)C1 1963786379 IQNUMESVHURLQA-UHFFFAOYSA-N 280.280 0.620 10 10 CCCE CN1CCc2cc(CNC[C@H]3CCNC3=O)ccc21 1887205693 ZCTCBFUWGOZAHA-CYBMUJFWSA-N 259.353 0.905 10 10 CCCE C[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@H]1CN 1971094970 CDZKOGWTSGGGGG-GXSJLCMTSA-N 264.325 0.694 10 10 CCCE COC(=O)CC[C@@H](N)[C@H](O)c1ccc(O)c(O)c1 259823955 WOIUMYKXFTYQLN-PRHODGIISA-N 255.270 0.412 10 10 CCCE CN(CC(=O)c1ccc(O)c(O)c1)[C@@H]1CCS(=O)(=O)C1 35055061 HFWMSZAYJQIZNN-SNVBAGLBSA-N 299.348 0.399 10 10 CCCE Nc1ccc(CC(=O)N2CCO[C@@H]3[C@@H](C(=O)O)[C@@H]32)cc1 2149298873 WBYHGMJWDOKHFS-RWMBFGLXSA-N 276.292 0.122 10 10 CCCE C[C@H](CC(N)=O)N(C)CCC(=O)Nc1ccc(N)cc1 2151340217 KHNAWZDDTLHHOJ-SNVBAGLBSA-N 278.356 0.793 10 10 CCCE O=C(O)[C@@H]1C[C@H](F)CN1C(=O)Cc1ccc(O)c(O)c1 2151939364 BGUWXRJMYIGZDE-IUCAKERBSA-N 283.255 0.664 10 10 CCCE O=C(N[C@]12CCCN[C@@H]1CCC2)c1cc(O)nc(O)c1 2154572991 HZDWTERZGMXLDY-QMTHXVAHSA-N 277.324 0.897 10 10 CCCE CC[C@H](N[C@@H](COC)C(N)=O)c1ccccc1O 2034942184 XHOHZECIFMWCAR-QWRGUYRKSA-N 252.314 0.933 10 10 CCCE C[C@@H]1C[C@H]1OC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 2034978157 LHIUXLAWTWHCPV-VFWDIBGWSA-N 251.282 0.919 10 10 CCCE C[C@@H](CS(N)(=O)=O)NCc1ccc(N(C)C)cc1 2035454891 RWXRYKBLDBDUOW-JTQLQIEISA-N 271.386 0.519 10 10 CCCE OC[C@H]1CO[C@@H](CNCc2ccc(O)c(O)c2)C1 2039813683 MWLYYKUWAUAUJE-WDEREUQCSA-N 253.298 0.585 10 10 CCCE C[C@@H]1C[C@@H](O)CN(CC(=O)Nc2ccc(N)cc2)C1 401493211 IBTDSBOLJXSILI-ZWNOBZJWSA-N 263.341 0.910 10 10 CCCE CCN(CCOCCO)c1cc2c(cc1N)OCCO2 312780344 NZJFXHAZMJUTPO-UHFFFAOYSA-N 282.340 0.875 10 10 CCCE NC(=O)CN(Cc1ccc(N)cc1)C(=O)[C@]12CC[C@H]1C2 2157457845 WZZIIUPTECCFHQ-NHYWBVRUSA-N 273.336 0.883 10 10 CCCE Nc1ccc(OCCCN2CCC[C@](O)(CO)C2)cc1 313661169 QWTCLKNCENSCAY-OAHLLOKOSA-N 280.368 0.857 10 10 CCCE Nc1ccc(NC(=O)CN2CC(O)(C(F)(F)F)C2)cc1 2170379413 DIPJTAYWLWSHBU-UHFFFAOYSA-N 289.257 0.816 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2O 2160697537 WMXQCPJVKBKICN-WGBDABJCSA-N 277.320 0.916 10 10 CCCE CCN(c1ccc2c(c1)NC(=O)[C@@H]2N)[C@H]1CCNC1=O 2171232287 FRSUNSBBBRKYQJ-NWDGAFQWSA-N 274.324 0.353 10 10 CCCE C[C@@]12C[C@@H]1C(=O)N(c1ccc(N)cc1C(=O)O)C2=O 713589250 BIKGPGAAQKHZJX-AMIZOPFISA-N 260.249 0.866 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3CC[S@](=O)C[C@@H]3C)ccc21 2171967213 YISPPDAFISQTAI-VTGAXKQQSA-N 293.392 0.856 10 10 CCCE CCCn1cc([C@@](C)(NCCN=[N+]=[N-])C(=O)OC)nn1 715023106 RMIUWYKRIMDRCO-LLVKDONJSA-N 281.320 0.976 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3CC(O)C3)c(Cl)cc21 384060711 QBFXJSYWLZZSMU-SNVBAGLBSA-N 253.689 0.473 10 10 CCCE C[C@H]1[C@H](CO)CCN1CC(=O)c1ccc(O)c(O)c1 385941662 WEXOKWCXLIBNNK-ONGXEEELSA-N 265.309 0.983 10 10 CCCE C[C@@]1(CO)C[C@@H](O)CN1c1ccc(CN)cc1F 698203615 ZULMANNZSCIFIS-MFKMUULPSA-N 254.305 0.606 10 10 CCCE COCC[C@H](COC)NC(=O)c1ccc(O)c(O)c1 388971812 OTFHYMIDDDFOFB-SNVBAGLBSA-N 269.297 0.879 10 10 CCCE C[C@H](N[C@H]1CN(C)NC1=O)c1c(O)cccc1O 393893921 KGAZIGMKAKTSEL-YUMQZZPRSA-N 251.286 0.094 10 10 CCCE NC(=O)NC1CCN(C(=O)Nc2ccc(N)cc2)CC1 396883567 MJZOZDQOEDRUNT-UHFFFAOYSA-N 277.328 0.933 10 10 CCCE CN(C)C1(CNC(=O)COc2ccc(N)cc2)CC1 397873042 UHDZBGKYFNWUGC-UHFFFAOYSA-N 263.341 0.858 10 10 CCCE CC[C@@]1(CO)COCCN1C(=O)Cc1ccc(N)cc1 2169068077 CLIHMRNGTHBBCL-OAHLLOKOSA-N 278.352 0.811 10 10 CCCE COc1ccc(O)c(CNCC2CN(CC(=O)O)C2)c1 2169327583 OTRFNDFDDDACAR-UHFFFAOYSA-N 280.324 0.507 10 10 CCCE CN(Cc1ccccc1O)C(=O)N[C@](C)(CO)C(=O)O 2192602750 BCGOYUOPYJZGJO-CYBMUJFWSA-N 282.296 0.369 10 10 CCCE C[C@H]1CC(=O)NCCN1c1ccc(CO)c([N+](=O)[O-])c1 2188574705 UZLAXWSWTXYGKF-VIFPVBQESA-N 279.296 0.802 10 10 CCCE N[C@H]1C[C@H]2C[C@H]1C[C@@H]2NC(=O)c1cc(O)c(O)c(O)c1 2188921918 DNOTYQBHQGDRQD-MBLNEYKQSA-N 278.308 0.659 10 10 CCCE C[C@H](N)c1ccc(N2C[C@H]3COC[C@@H](C2)[C@H]3O)cc1O 2189051143 SGLPOQAJJSFLDZ-ZVXAKGHKSA-N 278.352 0.855 10 10 CCCE COCCN(Cc1cc(F)ccc1O)C1CNC1 2042126983 UDYOXYVDJDZRMR-UHFFFAOYSA-N 254.305 0.952 10 10 CCCE CCOC(=O)[C@@]1(NCCN=[N+]=[N-])CCNC(=O)C1 2042108243 GOPOUBJPCUUKAZ-SNVBAGLBSA-N 255.278 0.098 10 10 CCCE CCS(=O)(=O)NC1CN(c2ccc3c(c2)CC[C@H]3O)C1 2184731819 MVCJHUNUUQEUEE-CQSZACIVSA-N 296.392 0.794 10 10 CCCE CNC(=O)[C@H]1COCCN1c1ccc2c(c1)CC[C@H]2O 2184733176 FHIZGAYIXCQAHK-ZIAGYGMSSA-N 276.336 0.617 10 10 CCCE N[C@@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)[C@H]2CC[C@@H]21 2190260861 JZNDSIPVFRLILZ-BBBLOLIVSA-N 278.308 0.755 10 10 CCCE CNCc1ccc(N2CC[C@@H]3OCC(=O)N[C@H]3C2)cc1 2185512325 KWMZZLHKGQPCIZ-KBPBESRZSA-N 275.352 0.500 10 10 CCCE CS(=O)(=O)Nc1ccc(NS(=O)(=O)CCF)cc1 2057413287 MPAFOGMMUDAKAL-UHFFFAOYSA-N 296.345 0.769 10 10 CCCE Cc1nc([C@H](O)[C@@H](N)c2ccc(N(C)C)cc2)nn1C 2190731583 GRRSQBXECIQEMV-QWHCGFSZSA-N 275.356 0.923 10 10 CCCE Oc1ccc(F)cc1CN1C[C@H](O)CC12CNC2 2066538597 RVKTXIDADGTAEY-LLVKDONJSA-N 252.289 0.440 10 10 CCCE CNCc1ccc(N2CC[C@@H](O)[C@@H](O)C2)c(Cl)c1 2068378270 SZRACGRUQVVANG-OLZOCXBDSA-N 270.760 0.991 10 10 CCCE C[C@]1(NS(=O)(=O)CCOc2ccc(N)cc2)CCNC1 2191639654 JOLLWEYIVDCRRT-ZDUSSCGKSA-N 299.396 0.319 10 10 CCCE CO[C@H]1C[C@@H](CN)N(S(=O)(=O)Cc2ccc(N)cc2)C1 2191782381 STJLWKDPBFARFE-STQMWFEESA-N 299.396 0.147 10 10 CCCE Cc1cccc(N)c1N[C@@H]1CNC[C@H]1S(C)(=O)=O 2072524615 DOXBRAVPXNLUJF-GHMZBOCLSA-N 269.370 0.374 10 10 CCCE C[C@@]1(O)CCN(c2ccc(CO)cc2F)C[C@@H]1O 2077306159 VMNZFEHOABNNSK-QWHCGFSZSA-N 255.289 0.640 10 10 CCCE C[C@@H](NC(=O)N1CCC(N=[N+]=[N-])CC1)S(C)(=O)=O 2082959278 MKKPMDKHIXIOFZ-ZETCQYMHSA-N 275.334 0.861 10 10 CCCE NC(=O)c1coc(CNCc2cccc(O)c2O)n1 2104347768 OOJWSBDMZAJQQN-UHFFFAOYSA-N 263.253 0.475 10 10 CCCE CN1CCc2cc(N3CCN[C@H](CCO)C3)ccc21 2106795098 DCGNWLPEUCHQCT-CYBMUJFWSA-N 261.369 0.840 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC[C@@H]2CCN[C@H]2C1 2087442718 IUISWQNDDLJWFY-WPRPVWTQSA-N 263.297 0.317 10 10 CCCE C[C@H]([C@H](O)CCc1ccc(N)cc1)S(=O)(=O)N(C)C 2089496316 RCEZHSOOQRHOOD-ZWNOBZJWSA-N 286.397 0.842 10 10 CCCE Nc1ccc(CN2C(=O)[C@H]3CCCN3S2(=O)=O)cc1 2089671053 UIKDFYJNVYXYLF-LLVKDONJSA-N 281.337 0.320 10 10 CCCE O=[N+]([O-])c1cc(CO)ccc1N1C[C@H]2C[C@@]2(CO)C1 2090113134 DSAOHODMFQJLDH-MFKMUULPSA-N 264.281 0.906 10 10 CCCE CCCN[C@@H](c1ccccc1O)C1(O)CS(=O)(=O)C1 2091860956 XOIKUNZKRBFYTH-LBPRGKRZSA-N 285.365 0.592 10 10 CCCE O=C(CN1C[C@H](O)C2(CC2)C1)c1ccc(O)c(O)c1 2093337577 CEEYTZWKRBLFRO-ZDUSSCGKSA-N 263.293 0.737 10 10 CCCE NC(=O)[C@H](NCc1cc2c(cc1O)OCO2)C1CC1 2096494959 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C[C@H](c1cc(O)ccc1O)N1C[C@@H]2CN[C@H](CO)[C@@H]2C1 2235570903 WKHBJDMWBABDBM-RDBQEKCUSA-N 278.352 0.671 10 10 CCCE Nc1ccc(O)c(CN2CCN3C(=O)COC[C@H]3C2)c1 2236945730 OVVZWMOMDVXWGW-GFCCVEGCSA-N 277.324 0.017 10 10 CCCE CNCc1ccc(OC)c(Cn2cc(O)n(C)c2=O)c1 2280530319 YIJUDFHWBMYCKW-UHFFFAOYSA-N 277.324 0.669 10 10 CCCE O=C(NCc1ccccc1O)[C@H]1CCOCCN1 2257608114 AYZLSXHVARPHKP-LLVKDONJSA-N 250.298 0.387 10 10 CCCE COc1ccc(CNCC2(O)CSC2)c(O)c1 2248014876 WSPAWCVIGHWNTM-UHFFFAOYSA-N 255.339 0.968 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1C[C@]12C[C@@H]2C(=O)O 2283286803 CLEZPRDCTISAPI-UGQGEIBHSA-N 277.276 0.620 10 10 CCCE COC[C@@H]1[C@@H](O)[C@@H](O)CN1c1ccc(OC)c(C)c1C 2284598874 PEBAVUOIEIZTTF-VNHYZAJKSA-N 281.352 0.869 10 10 CCCE CNCc1ccc(N2CC(O)(C(F)(F)CO)C2)c(C)c1 2288532656 LGRYXRFSQHGPPL-UHFFFAOYSA-N 286.322 0.893 10 10 CCCE Cc1cc([C@H](C)O)ccc1N1C[C@H](O)[C@H](O)[C@H](CO)C1 2289357306 FUFYXRHQMGHPPW-HQRZJTNHSA-N 281.352 0.199 10 10 CCCE NCc1ccc(N2C[C@@H]3C[C@H]2[C@H](O)[C@@H]3O)cc1Cl 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267.237 0.023 10 10 CCCE CC(C)C[C@@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 40780020 CWPZORQRYJBFLP-RYUDHWBXSA-N 296.367 0.491 10 10 CCCE CCOC(=O)[C@@]1(NCCN=[N+]=[N-])CCCN(C)C1 134329026 VYQZMTVMIFWLBD-LLVKDONJSA-N 255.322 0.914 10 10 CCCE CN1C(=O)CN(CC(=O)N2Cc3cccc(O)c3C2)C1=O 871207578 QKVLGFYITCSVTN-UHFFFAOYSA-N 289.291 0.128 10 10 CCCE Oc1cc2c(c(O)c1O)CCN[C@@H]2Cn1ccnc1 75819218 IAFWYMADLCKBEJ-SNVBAGLBSA-N 261.281 0.887 10 10 CCCE NC(=O)N[C@@H]1CCN(C(=O)CCc2ccc(N)cc2)C1 690758484 ZCUJGMUAPRTSLB-GFCCVEGCSA-N 276.340 0.471 10 10 CCCE CN(C)C[C@H](N)C(=O)NCc1ccc(N(C)C)cc1 702386154 HFSCBIGGWMIXBL-ZDUSSCGKSA-N 264.373 0.258 10 10 CCCE C[C@@H](N)c1ccc(N2C[C@@H](CO)[C@@H](CO)C2)c(F)c1 704798227 SFYARUWUKFRNKZ-JLLWLGSASA-N 268.332 0.882 10 10 CCCE C[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)Nc1ccc(N)cc1 711729280 MGPKJWHVYSVSMP-KWQFWETISA-N 283.353 0.823 10 10 CCCE NS(=O)(=O)C1(CNCc2cc(Cl)ccc2O)CC1 714024061 YSWXDHHSAOWMJK-UHFFFAOYSA-N 290.772 0.956 10 10 CCCE Cc1nn(CC(=O)N(C)c2ccc(N)cc2)c(=O)o1 694823643 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O=C(c1c(F)ccc(O)c1O)N1CC[C@H](O)[C@H](CO)C1 1472579859 VHALBZDTKITXBX-CBAPKCEASA-N 285.271 0.052 10 10 CCCE CC(C)(CCO)CNC(=O)c1cc(O)nc(O)c1 227879544 MNFBDWBNVZSBRF-UHFFFAOYSA-N 254.286 0.631 10 10 CCCE NC[C@@H]1C[C@H](F)CN1C(=O)c1cccc(O)c1O 1923606436 ZCTKULUNERDSGX-YUMQZZPRSA-N 254.261 0.609 10 10 CCCE CN1CCN(Cc2cc(N)ccc2O)[C@@H](CCO)C1 2138084862 SUFGETSFHLPCAY-ZDUSSCGKSA-N 265.357 0.473 10 10 CCCE Cn1nnc2cc(C(=O)NCc3cc(O)ccc3O)cnc21 1593872750 CKZFTKGNLAGOGP-UHFFFAOYSA-N 299.290 0.705 10 10 CCCE NCCN(CC(F)F)C(=O)COc1ccc(N)cc1 1876491317 LYPVQFGTVLWGQJ-UHFFFAOYSA-N 273.283 0.700 10 10 CCCE C[C@H](c1c(O)cccc1O)N1CCN(C2CNC2)CC1 235170929 GIGUWELFZIAXET-LLVKDONJSA-N 277.368 0.748 10 10 CCCE CN(C(=O)CN1CC[C@H](C(N)=O)C1)c1ccc(N)cc1 234257876 JNIODXNCPRIECA-JTQLQIEISA-N 276.340 0.039 10 10 CCCE N[C@H]1CCN(c2nnc(-c3ccc(O)c(O)c3)[nH]2)C1 236336938 PUPBTNCZQOYVGU-QMMMGPOBSA-N 261.285 0.420 10 10 CCCE C[C@@H](N)[C@H]1CCN(C(=O)COc2ccc(N)cc2)C1 1876457811 YPQIGCIWFWWKEK-MNOVXSKESA-N 263.341 0.843 10 10 CCCE COC(=O)c1cccc(N)c1N[C@@H]1CNC[C@@H]1OC 1876501579 DMXIOXLVUNGHBL-MNOVXSKESA-N 265.313 0.454 10 10 CCCE C[C@H](NS(=O)(=O)c1c[nH][nH]c1=N)c1ccccc1O 1877577391 AOSYYVFOPMCRRB-ZETCQYMHSA-N 282.325 0.567 10 10 CCCE O=S(=O)(NCCNCc1c(O)cccc1F)C1CC1 1964061040 SWOXEMZCGIGRPS-UHFFFAOYSA-N 288.344 0.703 10 10 CCCE CN(C)c1ccc([C@@H](C(=O)O)N2CCNCC2)cc1 41356657 RBWUBSCNMKFECT-ZDUSSCGKSA-N 263.341 0.784 10 10 CCCE O=C(O)[C@@H]1CN(Cc2c(O)cccc2F)CCO1 1964719600 WXEPZSBQUMTPBD-NSHDSACASA-N 255.245 0.817 10 10 CCCE O=C(N[C@@H]1CCO[C@@]12CCOC2)c1cccc(O)c1O 2144689999 PKVFWPQFSSLWGI-BXUZGUMPSA-N 279.292 0.776 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@@H](N)[C@H]1CCOC1 1966848195 ADDZQPBOXJTJKL-AAEUAGOBSA-N 264.325 0.714 10 10 CCCE CN(C)CC[C@@H](NC(=O)c1cccc(O)c1O)C(=O)O 2144807300 LSJNCZPQMPYOLZ-SECBINFHSA-N 282.296 0.233 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1C[C@@H]2CCS(=O)(=O)[C@H]2C1 2145080384 UHMDSDKOHLRFHQ-CABZTGNLSA-N 297.332 0.357 10 10 CCCE Nc1ccc(CCN2C[C@]3(CO)CC[C@@]3(CO)C2)cc1 2145737891 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COc1ccc(CN2CC[C@](O)(CC(=O)O)C2)c(O)c1 2160865581 SMHBUBCNASXPKW-AWEZNQCLSA-N 281.308 0.812 10 10 CCCE Nc1ccc(OCC(=O)NC[C@@H]2CCC(=O)NC2)cc1 2159419008 JVAXJPBHZXXPQE-SNVBAGLBSA-N 277.324 0.290 10 10 CCCE COC(=O)[C@](C)(NC=O)[C@H](O)c1ccc(N(C)C)cc1 2178481600 DOEYJOQHLWDQFJ-TZMCWYRMSA-N 280.324 0.464 10 10 CCCE O=S1(=O)CCN(c2ccc3c(c2)OCCNC3)CC1 706429128 FNVYCWWXQKQCLL-UHFFFAOYSA-N 282.365 0.403 10 10 CCCE Oc1cc2c(cc1CN[C@@H]1CCOC[C@@H]1O)OCO2 706730342 HRECPYMPOFHWEG-KOLCDFICSA-N 267.281 0.360 10 10 CCCE CN(CC(=O)Nc1ccc(N)cc1)C[C@@H](O)C1CC1 708525142 VMFNWKTTYVRKEE-CYBMUJFWSA-N 263.341 0.910 10 10 CCCE CNCc1ccc(N2CC[C@](O)(C(N)=O)C2)cc1C 381875772 OCLIZFAAFNOYKI-CQSZACIVSA-N 263.341 0.141 10 10 CCCE Nc1ccc(CC(=O)NC[C@@H]2CCO[C@@H]2C(=O)O)cc1 715513567 REEZZPDHEOYWGG-GWCFXTLKSA-N 278.308 0.417 10 10 CCCE C[C@@H]1[C@H](CN)CCN1C(=O)c1cccc(O)c1O 385930311 USXPAIHCEIEKRN-BDAKNGLRSA-N 250.298 0.907 10 10 CCCE C[C@@H]1[C@@H](NCc2ccc(O)cc2O)CCS1(=O)=O 386537621 QLRCCSIZMHMBID-KCJUWKMLSA-N 271.338 0.763 10 10 CCCE CN(C(=O)c1ccc(O)c(O)c1)C1(C(=O)O)CC1 720061025 NQWCGODJYIMACO-UHFFFAOYSA-N 251.238 0.787 10 10 CCCE O=C(c1cccc(O)c1O)N1CC[C@H](c2nn[nH]n2)C1 720625922 AFFANVZKDYOLGM-ZETCQYMHSA-N 275.268 0.241 10 10 CCCE C[C@H](c1cc(O)ccc1O)N1C[C@@H](O)[C@H](CC(=O)O)C1 2174353513 ZTZPJAFUJMYEOC-JRKPZEMJSA-N 281.308 0.926 10 10 CCCE Cn1cnnc1CCCNCc1cccc(O)c1O 394035382 TZKGGJLPLPCYSB-UHFFFAOYSA-N 262.313 0.949 10 10 CCCE CN1CC2(CCN(C(=O)Cc3ccc(N)cc3)C2)C1 398909898 KUQGZXXGKAWLGN-UHFFFAOYSA-N 259.353 0.975 10 10 CCCE Nc1cc2c(cc1N1CCOC[C@@H](O)C1)OCCO2 399931325 SCLOPNORFVSXRP-VIFPVBQESA-N 266.297 0.238 10 10 CCCE CC1(C)[C@H](O)[C@@H](O)CN1CC(=O)c1ccc(O)c(O)c1 2181218447 YKEPVSGGUBFUES-QWHCGFSZSA-N 281.308 0.097 10 10 CCCE Nc1cc2c(cc1N1CC[C@@H]3C[C@]3(O)C1)NC(=O)CO2 2171030302 YLYTUQSZUFVLMT-CLAHSXSESA-N 275.308 0.561 10 10 CCCE OCc1ccc(N2CCn3c(CO)nnc3C2)c(Cl)c1 2171799036 XMAUHBAWVQUNHB-UHFFFAOYSA-N 294.742 0.936 10 10 CCCE COCCN1CCN(C(=O)c2cccc(O)c2O)CC1 1148212271 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O=C(O)[C@H]1C[C@@H](O)CN1Cc1c(O)cccc1F 2080565265 FINDOVFVTBGNPS-GMSGAONNSA-N 255.245 0.551 10 10 CCCE O=C(NC[C@@H]1CC(F)(F)CN1)c1ccc(O)c(O)c1 2102805231 ZPTOPLVUPUQVTO-QMMMGPOBSA-N 272.251 0.825 10 10 CCCE CCOC(=O)C1CN(C(=O)c2ccc(O)c(O)c2)C1 2103508727 MVEDCHGTJLDWHD-UHFFFAOYSA-N 265.265 0.733 10 10 CCCE CN(Cc1ccc(N)cc1)c1cc(=O)n(C)c(O)n1 2088247901 CPNBJPCRBWVNFM-UHFFFAOYSA-N 260.297 0.705 10 10 CCCE CNC1CN(c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 2089241435 NEQRVRODEGNRPN-UHFFFAOYSA-N 265.269 0.774 10 10 CCCE O=C1CCC[C@H](CNCc2ccc(O)c(O)c2O)N1 2089322018 VSEJPBGPPGHSLC-SECBINFHSA-N 266.297 0.562 10 10 CCCE CCn1ncnc1[C@@H](O)[C@@H](NC)c1ccccc1O 2111728208 AVHNAGDTOFTDAY-RYUDHWBXSA-N 262.313 0.998 10 10 CCCE NN[C@@H](c1ccn2ncnc2c1)c1ccccc1O 2092375470 PGJDLYMJQZKXEU-ZDUSSCGKSA-N 255.281 0.988 10 10 CCCE CN[C@@H](c1ccccc1O)[C@@H](O)c1c(C)nnn1C 2094707298 WNLHJEOTOVMJJX-WCQYABFASA-N 262.313 0.823 10 10 CCCE C[C@@H]1C[C@](O)([C@@H](N)c2ccccc2O)CCS1(=O)=O 2095316749 OODBOPMITJPMBL-ICCXJUOJSA-N 285.365 0.720 10 10 CCCE CNCc1ccc(N2CC(=O)N[C@@H]3CC[C@@H]32)cc1OC 2204553977 OHUBPBPBBAOXQE-OLZOCXBDSA-N 275.352 0.882 10 10 CCCE COc1ccc(N2CC(S(C)(=O)=O)C2)c(CN)c1 2220413037 APKYXGMAULWNCF-UHFFFAOYSA-N 270.354 0.387 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC[C@@H]3[C@@H](O)C[C@@H]3C2)cc1 2232878458 DATCBFNYLPULJW-XBFCOCLRSA-N 296.392 0.801 10 10 CCCE Cc1cc([C@@H](C)O)ccc1N1C[C@@H](O)[C@@H](CO)C1 2223974522 CYFBOEZIJDFVPQ-MPKXVKKWSA-N 251.326 0.838 10 10 CCCE COc1ccc(N2C[C@@H]3COC[C@]3(CO)C2)c(C=O)c1 2235989367 YKASWGWSSKHMHZ-IUODEOHRSA-N 277.320 0.953 10 10 CCCE CNC(=O)[C@H]1COCCN1c1ccc(OC)cc1C=O 2235980366 VYZVTYAZIYDILK-CYBMUJFWSA-N 278.308 0.459 10 10 CCCE NC(=O)C1(O)CN(c2ccc(OC(F)(F)F)cc2)C1 2226539968 FANBAZVORDWUFD-UHFFFAOYSA-N 276.214 0.622 10 10 CCCE CNCc1cc(OC)ccc1N1C[C@@H](CO)[C@@H](O)C1 2227686199 PLTLBXRQZTWMOG-FZMZJTMJSA-N 266.341 0.204 10 10 CCCE COc1ccc(N2C[C@H]3C[C@H]2[C@H](O)[C@H]3O)c(C=O)c1 2227693439 WZQXHXHLJXSCEN-AIUZOBBOSA-N 263.293 0.438 10 10 CCCE COc1ccc(N2CCO[C@H]3COC[C@H]32)c(CO)c1 2227708021 CURZJHTUVDQJIP-KGLIPLIRSA-N 265.309 0.792 10 10 CCCE COc1ccc(N(C)CC2(O)CNC2)c(OC)c1 2259118823 QUUJLHPCQXAQIQ-UHFFFAOYSA-N 252.314 0.474 10 10 CCCE C[C@H](NC(=O)c1cc(O)c(O)c(O)c1)[C@@H]1CCCN1 2271325009 RBACDLYIVINIMR-CBAPKCEASA-N 266.297 0.674 10 10 CCCE OC[C@H]1CC[C@H](CNCc2cccc(O)c2O)OC1 2264702862 GSPFWARNBNMWCT-ZYHUDNBSSA-N 267.325 0.975 10 10 CCCE Cc1cc(CN)ccc1N1C[C@@H]2OC[C@H](CO)O[C@H]2C1 2279774492 IXJMDQFHGNHPFI-QEJZJMRPSA-N 278.352 0.419 10 10 CCCE Nc1ccc(N2C(=O)N[C@@H]([C@@H](O)C(F)(F)F)C2=O)cc1 2280105249 STMRTNHGMLJIFA-JGVFFNPUSA-N 289.213 0.617 10 10 CCCE COc1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CO)c2c1CCC2 2284601248 ZGRPXEKLRCHMKJ-KCQAQPDRSA-N 279.336 0.087 10 10 CCCE C[C@@H](NCc1noc(C(N)=O)n1)c1c(O)cccc1O 2285751674 YWHXKJFOPFQCOF-ZCFIWIBFSA-N 278.268 0.431 10 10 CCCE COCCN(C[C@H](C)O)c1ccc([N+](=O)[O-])c(CO)c1 2287954767 ICWGBFYGMQKHSH-JTQLQIEISA-N 284.312 0.921 10 10 CCCE COCCN(C[C@@H](C)N)C(=O)c1cc(O)c(O)c(O)c1 2288012863 AQKRIPGCJAFLDE-MRVPVSSYSA-N 284.312 0.239 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)[C@H]2NC[C@@H]3CCC[C@H]23)C1 2309419477 OHTKCONBHUKRJU-XGZQDADWSA-N 250.342 0.640 10 10 CCCE C[C@H](O)c1ccc(N2CC([C@H](O)CO)C2)cc1O 2315278158 JWPISQCDTVIFIZ-ISVAXAHUSA-N 253.298 0.235 10 10 CCCE Nc1ccc(NC(=O)N2C[C@@H]3C[C@H]2[C@@H](O)[C@H]3O)cc1 2329331485 BTRPSTOJFRMDTF-ZZKLTDFHSA-N 263.297 0.227 10 10 CCCE CC[C@H](N)c1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CF)cc1 2333238474 ZYRBXCRPIGLDDW-FQUUOJAGSA-N 268.332 0.976 10 10 CCCE Nc1ccc(CN2C(=O)C(=O)N[C@@H]3CCC[C@@H]32)cc1 2343029516 DBOSOOYHDPZTPC-NEPJUHHUSA-N 259.309 0.648 10 10 CCCE Nc1ccc(O)c(CN(CCO)C2CCOCC2)c1 2353641107 QEVTYBYLNVRCFJ-UHFFFAOYSA-N 266.341 0.948 10 10 CCCE O=c1c2c(ccn1C[C@H]1C[C@@H]3COC[C@@H]3O1)CCNC2 2354032258 DZYSJTNMYNRMCE-BZPMIXESSA-N 276.336 0.298 10 10 CCCE C[C@]1(O)C[C@@H]2C[C@H]1C[C@@H]2NC(=O)c1cc(O)nc(O)c1 2355708311 ZLEGXLVJMMVFDH-QSDJMHMYSA-N 278.308 0.772 10 10 CCCE COc1ccc(N2CCS(=O)(=O)CC2)c(C(=O)O)c1 136701733 INXONYBZGOQNIQ-UHFFFAOYSA-N 285.321 0.628 10 10 CCCE Nc1ccc(OCC(=O)n2nc3ccccn3c2=O)cc1 38055710 FVKBNXZXPOULBJ-UHFFFAOYSA-N 284.275 0.797 10 10 CCCE O=C1COc2cc([N+](=O)[O-])c(N(CCO)C3CC3)cc2N1 40452738 OPGCXULKUKOERA-UHFFFAOYSA-N 293.279 0.887 10 10 CCCE COC(=O)Cn1nnnc1Sc1nccs1 84378636 AZAVBMUDFFFXDC-UHFFFAOYSA-N 257.300 0.454 10 10 CCCE CN[C@H](CN(C)c1ccc(OC)cc1)C(=O)OC 49971959 MNQGRAVWJAPPFG-GFCCVEGCSA-N 252.314 0.892 10 10 CCCE O=S(=O)(NCCc1ccc(O)c(O)c1)c1cnc[nH]1 1187776085 QUKFRZXZRUXUFR-UHFFFAOYSA-N 283.309 0.342 10 10 CCCE CO[C@H]1CCN(S(=O)(=O)Cc2ccc(N)cc2)C1 234907878 RVVSPDKKNIQKGQ-LBPRGKRZSA-N 270.354 0.819 10 10 CCCE CCc1nn(C)cc1C=C1C(=O)N(C)C(=O)N(C)C1=O 92196937 DKWDWKWRIRJMKA-UHFFFAOYSA-N 276.296 0.416 10 10 CCCE CN(C)Cc1cc([C@@H]2CNCCS2(=O)=O)ccc1O 1952755507 ROZMNPIAYLUXDD-ZDUSSCGKSA-N 284.381 0.513 10 10 CCCE COC[C@@H](CCN)NC(=O)c1cc(OC)nc(OC)c1 2166942080 FXGOVSIJJAAOKH-SNVBAGLBSA-N 283.328 0.192 10 10 CCCE CO[C@@H]1CN(c2ccc(CN)c(Cl)c2)C[C@H]1O 395938487 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CN(CC(C)(CO)CO)C(=O)Cc1ccc(O)c(O)c1 1567084739 WWYTWGDRSKLQSL-UHFFFAOYSA-N 283.324 0.090 10 10 CCCE CN(C)CCCNC(=O)[C@H](N)c1ccccc1O 83385184 OSAXKUVWMJTRDY-GFCCVEGCSA-N 251.330 0.460 10 10 CCCE NCC[C@H](O)c1nnc(-c2cc(O)c(O)c(O)c2)o1 83494117 BJMCPRNRVAKQFO-LURJTMIESA-N 267.241 0.236 10 10 CCCE CC(=O)NCc1nnc([C@@H](N)c2ccc(C)cc2O)o1 83547309 UXWLBUBSYPVRIN-LBPRGKRZSA-N 276.296 0.768 10 10 CCCE COCCOC[C@H]1NCCc2ccc(O)c(O)c21 83725150 BCUSESCQCXKDFV-SNVBAGLBSA-N 253.298 0.948 10 10 CCCE CCOc1ccc(CN2CC[C@@](O)(C(=O)OC)C2)c(O)c1 895707078 IMDHRJFEEVZTLC-HNNXBMFYSA-N 295.335 0.901 10 10 CCCE CNCc1ccc(N2CCN(C)C[C@@H]2CO)cc1C 703870280 RARNJGBTTXZYGB-OAHLLOKOSA-N 263.385 0.827 10 10 CCCE COc1ccc(O)c(CNC[C@@H]2CCO[C@H]2C(=O)O)c1 716297747 MIPNEKBAXMMZGS-TVQRCGJNSA-N 281.308 0.980 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N3CCS[C@H](CO)C3)cc21 720042969 DNZSGOVXUCMKIT-GWCFXTLKSA-N 293.392 0.577 10 10 CCCE CC(=O)c1cc(F)cc(CN2CCO[C@@H](CO)C2)c1O 94351245 WPVIJGLFYJFNGJ-GFCCVEGCSA-N 283.299 0.927 10 10 CCCE CCn1nc(C)c(C(=O)NCc2c(O)cccc2O)n1 1156885447 FHCKOLILRXDVKI-UHFFFAOYSA-N 276.296 0.948 10 10 CCCE Nc1ccc(OCC(=O)N2CCn3ccnc32)cc1 2116345423 PHVCWJCLHMKXFN-UHFFFAOYSA-N 258.281 0.891 10 10 CCCE CC1(C)CNC(=O)CN1C(=O)c1cccc(O)c1O 2119106194 DYVDGQAKQDVDSN-UHFFFAOYSA-N 264.281 0.448 10 10 CCCE N[C@@H](c1ccccc1O)C1(O)CC(n2cncn2)C1 2125748490 PAMRCLJUGMOIII-YHECAPGISA-N 260.297 0.750 10 10 CCCE Nc1ccc(OCCN2CCC[C@@H]2[C@@H](O)CO)cc1 2123234812 SFFLMZKEDRXXAF-KGLIPLIRSA-N 266.341 0.465 10 10 CCCE CNCc1ccc(N2CC(O)(CCO)C2)c(Cl)c1 2258302477 XCOVIISCCPVZLQ-UHFFFAOYSA-N 270.760 0.993 10 10 CCCE O=C1C[C@@H](NCc2cccc(O)c2O)[C@H]2CCCN12 2131981009 ZLFWEYKDYAVHGV-GHMZBOCLSA-N 262.309 0.951 10 10 CCCE O=C(N[C@H]1CCCC[C@@H]1O)c1cc(O)c(O)c(O)c1 2132348746 RJXQIMIULIZZLE-IUCAKERBSA-N 267.281 0.837 10 10 CCCE COC[C@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)C1 2132349676 GHVMPTGQGCFSNY-QMMMGPOBSA-N 267.281 0.912 10 10 CCCE CC(C)(CCO)CNC(=O)c1cc(O)c(O)c(O)c1 2132348510 NBZGXRJOWGORFQ-UHFFFAOYSA-N 269.297 0.942 10 10 CCCE N[C@@H]1C[C@@H]2[C@H]1CCN2C(=O)c1cc(O)c(O)c(O)c1 2132399227 DKXHNXUARMVPBJ-DJLDLDEBSA-N 264.281 0.365 10 10 CCCE C[C@@H]1[C@H](O)CCN1C(=O)[C@H]1CNc2ccccc2N1 1914435322 SLCKJNKIKAVASY-OASPWFOLSA-N 261.325 0.874 10 10 CCCE CCOC(=O)CCCNC(=O)CN1CC[C@@H](N=[N+]=[N-])C1 1912188584 PPXMJKGSNMMWOE-SNVBAGLBSA-N 283.332 0.831 10 10 CCCE CCOC(=O)CS(=O)(=O)N(C)CCN=[N+]=[N-] 1912207930 ZOAMZRVXNYUEHD-UHFFFAOYSA-N 250.280 0.121 10 10 CCCE COCC[S@](C)(=O)=NC(=O)c1ccc(O)c(O)c1 1918024558 UOSQZUFLSUZGFF-SFHVURJKSA-N 273.310 0.982 10 10 CCCE CC(=O)C(=O)[C@]1(O)CC[C@H](NC(=O)OC(C)(C)C)C1 1919103231 SXWBIPWGDAIDRH-ZANVPECISA-N 271.313 0.953 10 10 CCCE C[C@H](O)c1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CO)c(Cl)c1 2136283845 KBSKVSHGOCGCFK-GIMBAOAISA-N 287.743 0.296 10 10 CCCE CC1(C)OC[C@@H](CNC(=O)Cc2ccc(O)c(O)c2)O1 1465759955 RFCLSDYYQVQQFS-SNVBAGLBSA-N 281.308 0.908 10 10 CCCE COc1ccc(N2[C@@H](C)CN(C)C(=O)[C@@H]2CN)cc1 216993320 HOVYVYZEDXJYKM-GWCFXTLKSA-N 263.341 0.689 10 10 CCCE O=C(NCc1ccc(O)c(O)c1)C1(CO)CCOCC1 1545637432 UJMVRYKZCDBEHD-UHFFFAOYSA-N 281.308 0.503 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NC1=NCCS1 1540638890 RTNCRPXVNKAABW-UHFFFAOYSA-N 252.295 0.859 10 10 CCCE Nc1ccc(CS(=O)(=O)NC[C@@H]2CC[C@H](O)C2)cc1 227522314 QKDPQYFJBHHUHV-YPMHNXCESA-N 284.381 0.849 10 10 CCCE CCC[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1nn[nH]n1 1621660623 CUUGFKSUFXHBMM-SECBINFHSA-N 291.311 0.811 10 10 CCCE Oc1cc(F)ccc1CN1CCN(C2CNC2)CC1 2139755582 GONVLBAXQFXKAI-UHFFFAOYSA-N 265.332 0.621 10 10 CCCE N[C@H]1CCc2cc(N3C[C@H](O)[C@H](O)[C@@H]3CF)ccc21 2140666236 VJMCRHNSDIUNCO-XDQVBPFNSA-N 266.316 0.513 10 10 CCCE COC[C@@H]1CNCCN1c1ccc2c(c1)OCO2 259083435 CXENCPRTBKRILF-NSHDSACASA-N 250.298 0.840 10 10 CCCE CN(C)[C@@]1(CN)CCN(c2ccc3c(c2)OCO3)C1 259275443 KCBYKXDSOQXNEN-CQSZACIVSA-N 263.341 0.885 10 10 CCCE OCCN[C@H]1CCN(c2ccc3c(c2)OCCO3)C1 259463508 XFMUYNXOAPRLPO-NSHDSACASA-N 264.325 0.618 10 10 CCCE Nc1ccc(NC(=O)N2CC(OCCCO)C2)cc1 2141978186 VGLGXVZTXZBHII-UHFFFAOYSA-N 265.313 0.884 10 10 CCCE Nc1ccc(CS(=O)(=O)NC[C@@H]2CCC[C@H]2N)cc1 1876454304 SFJGASNQOBSYHP-WCQYABFASA-N 283.397 0.816 10 10 CCCE CCN1CCc2cc([C@@H](N)c3nnnn3C)ccc21 1885466455 CUZPZWFISWZHOA-GFCCVEGCSA-N 258.329 0.641 10 10 CCCE CCN(Cc1ccc(N)cc1)S(=O)(=O)c1cn(C)nn1 2144426740 PGZZYCGVXXODKQ-UHFFFAOYSA-N 295.368 0.608 10 10 CCCE CN1CCCN(c2ccc3c(c2)NC(=O)[C@H]3N)CC1 252408969 JTDJCFRPIMCCDS-ZDUSSCGKSA-N 260.341 0.780 10 10 CCCE C[C@@H]1CN(C(=O)c2cccc(O)c2O)CC[S@]1=O 1970332829 OQRQBYISZJQWKC-NTCNTBNZSA-N 269.322 0.691 10 10 CCCE CC1(C)CNC[C@H]1NC(=O)Cc1ccc(O)c(O)c1 1971629466 RBRHXBUKTAYTCN-GFCCVEGCSA-N 264.325 0.755 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1C[C@@H]2C[C@H](CN2)C1 1972420348 CRPSCUCSBDXVMH-MNOVXSKESA-N 262.309 0.461 10 10 CCCE COCCNCc1ccc(N2CC[C@H]2C(N)=O)c(C)c1 2145605976 SZEYFQUYYUMWDZ-AWEZNQCLSA-N 277.368 0.795 10 10 CCCE CCN1CC[C@@H]([C@@H](O)CCc2ccc(N)cc2)S1(=O)=O 2145771747 AKNRIFRVJGKVCO-KBPBESRZSA-N 298.408 0.986 10 10 CCCE C[C@H](O)[C@@H]1CCN(S(=O)(=O)Cc2ccc(N)cc2)C1 161510173 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0.891 10 10 CCCE C[C@H](C(=O)Nc1ccc(N)cc1)N(C)CC(=O)NC1CC1 36797360 HUMXPEYJYHKBTE-SNVBAGLBSA-N 290.367 0.806 10 10 CCCE Cc1ccc(C(=O)N2CC(NC(=O)C3CC3)C2)c(O)c1O 189439274 MYQRZWNJPDGTMV-UHFFFAOYSA-N 290.319 0.757 10 10 CCCE Nc1cc(O)ccc1NS(=O)(=O)c1c[nH]cn1 236348921 WJCBJQDPCFNNFA-UHFFFAOYSA-N 254.271 0.498 10 10 CCCE [N-]=[N+]=NCCCN[C@]1(C(N)=O)CCN(C2CC2)C1 90260129 VJGLPZJYCNWRIJ-LLVKDONJSA-N 252.322 0.369 10 10 CCCE COc1ccc(CN2CCNC(=O)CC2)c(O)c1 93101951 HSUUEOVJLMHRMJ-UHFFFAOYSA-N 250.298 0.723 10 10 CCCE C[C@](O)(CN)Cc1nc(-c2ccc(O)c(O)c2)no1 235735056 CFDRBPJCAQPUKF-GFCCVEGCSA-N 265.269 0.400 10 10 CCCE Cc1ccc(C(=O)N2CCN3CCOC[C@@H]3C2)c(O)c1O 371869619 JBDDQEWLDKIFJL-NSHDSACASA-N 292.335 0.563 10 10 CCCE CN(C(=O)Cn1cc(C(=O)O)nn1)c1ccc(N)cc1 2162708133 KWLPVMVGDMKYBZ-UHFFFAOYSA-N 275.268 0.222 10 10 CCCE CN1CC[C@H](N(C)c2ccc3c(c2)NC(=O)[C@@H]3N)C1=O 723194179 BHEXEXBGAVHOJP-NWDGAFQWSA-N 274.324 0.305 10 10 CCCE CN1CCN(C)[C@@H]([C@@H](NN)c2ccc(N(C)C)cc2)C1 2163130201 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CN(c1cc2c(cc1F)[C@H](O)C(=O)N2)C1CC(O)C1 1914573090 CUJMBTQPSDFTGR-FOEZSWGGSA-N 266.272 0.771 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N(C)C[C@H](O)COC)ccc21 105419239 RDWIISNZXZZSNL-GWCFXTLKSA-N 279.340 0.343 10 10 CCCE CCOC(=O)CS(=O)(=O)N1CC[C@H](CN=[N+]=[N-])C1 1912175644 OFEWSXKTPMMDKB-MRVPVSSYSA-N 276.318 0.512 10 10 CCCE CCOC(=O)[C@@H](NCCN=[N+]=[N-])c1nnn(CC)n1 1892986309 BMCSULWJUQPJNI-ZETCQYMHSA-N 268.281 0.197 10 10 CCCE COc1ccc(N2[C@@H](CCN)C(=O)NC[C@H]2C)cc1 216991497 PUCAEBDBGRXVPF-MFKMUULPSA-N 263.341 0.737 10 10 CCCE Cc1cnn(CC(=O)NCc2cc(O)ccc2O)c1 1471661543 SBEHIKRMMODBHX-UHFFFAOYSA-N 261.281 0.919 10 10 CCCE C[C@@H](CC[S@](C)=O)NC(=O)Cc1ccc(O)c(O)c1 1544807998 PTKYXVZVAFFOGR-UGZDLDLSSA-N 285.365 0.914 10 10 CCCE O=C1CC[C@H](NC(=O)[C@H]2CNc3ccccc3N2)CN1 229881363 GHEOVZGILJLRID-JOYOIKCWSA-N 274.324 0.287 10 10 CCCE O=C(c1c(F)ccc(O)c1O)N1CCN2C(=O)CC[C@H]2C1 1650885883 INVLNWSDZZVTDC-QMMMGPOBSA-N 294.282 0.684 10 10 CCCE COc1cc(N2CC[C@H](C)[C@H]2C(N)=O)ccc1CO 2139701684 DKYVANNAYFTRAT-ZANVPECISA-N 264.325 0.888 10 10 CCCE COc1cc(N2C(=O)[C@@H](C)O[C@H](C)C2=O)ccc1N 2142347240 FMPLPRQBQSCIAC-HTQZYQBOSA-N 264.281 0.944 10 10 CCCE Nc1cc2c(cc1N1CCNCC13CC3)OCCO2 1876216196 VURUBOOSLFUJBK-UHFFFAOYSA-N 261.325 0.982 10 10 CCCE C[C@@H](NS(=O)(=O)Cc1ccc(N)cc1)[C@H]1CCNC1 1876476205 VTJCXZUQVWJLNG-PWSUYJOCSA-N 283.397 0.686 10 10 CCCE CN(C)c1ccc([C@H](N)[C@@H](O)c2nnnn2C)cc1 1885441254 FMCCUJFAAVJJOD-WDEREUQCSA-N 262.317 0.010 10 10 CCCE COc1ccc(N2C[C@@H](O)C[C@H]2C(=O)O)c([N+](=O)[O-])c1 250570182 FHYYZYBHPJTFNA-CPCISQLKSA-N 282.252 0.628 10 10 CCCE NC(=O)N[C@H]1CCN(Cc2c(O)cccc2F)C1 1971993020 CFSHVPOIQIZXPV-QMMMGPOBSA-N 253.277 0.774 10 10 CCCE C[C@@H]1CCN(c2cc3c(cc2N)OCCO3)[C@H]1C(N)=O 2146450797 GGCNDSCORXNYPG-AMIZOPFISA-N 277.324 0.740 10 10 CCCE CN[C@@H]1C[C@@H](C)N(C(=O)c2cc(O)nc(O)c2)C[C@@H]1C 2149309208 KBJLHAVWAMYDRW-IQJOONFLSA-N 279.340 0.951 10 10 CCCE C[C@H](c1ccccc1O)N(C)C(=O)[C@@H]1C[C@H](O)CN1 37826542 CFZOABQPRVERRU-SCVCMEIPSA-N 264.325 0.634 10 10 CCCE O=C(N[C@@H]1CNCCC12CCC2)c1cc(O)nc(O)c1 2152545046 QOAZIRYNWUBYSQ-SNVBAGLBSA-N 277.324 0.755 10 10 CCCE C[C@@H](c1ccccc1O)N(C)S(=O)(=O)N1CCNCC1 40861711 AAUMBSHUBSBXOG-NSHDSACASA-N 299.396 0.535 10 10 CCCE COc1ccc(O)c(CN2CCC(N)(C(N)=O)CC2)c1 2154308413 SVKKFCSPBDMCLF-UHFFFAOYSA-N 279.340 0.179 10 10 CCCE Nc1ccc(CCC(=O)N[C@@H]2CCCNC2=O)cc1 50392688 HVIBUYJXIMHYKB-GFCCVEGCSA-N 261.325 0.596 10 10 CCCE C[C@@H]1C[C@@H](CO)CN1C[C@@H](O)COc1ccc(N)cc1 2156550267 LSBQNVBEUAOWCA-YRGRVCCFSA-N 280.368 0.711 10 10 CCCE CCC[C@@H](CN)NC(=O)Cc1ccc(O)c(O)c1 2027478519 GCLQHAKSOSZEBL-JTQLQIEISA-N 252.314 0.884 10 10 CCCE CN(CC(F)(F)CO)C(=O)c1cc(O)nc(O)c1 2033569833 WNVQCOOPJWMBTK-UHFFFAOYSA-N 262.212 0.192 10 10 CCCE CN(CCCN=[N+]=[N-])C(=O)[C@H]1CN2CCN1CC2 2038244818 KHFMIASECUOUOD-SNVBAGLBSA-N 252.322 0.145 10 10 CCCE NS(=O)(=O)NCCCNCc1cccc(Cl)c1O 2039805401 BZEMQQGUTMFJSL-UHFFFAOYSA-N 293.776 0.318 10 10 CCCE CNC(=O)CN1CCN(c2ccc(CO)cc2F)CC1 700791015 SBAXLVSSXLGWKE-UHFFFAOYSA-N 281.331 0.186 10 10 CCCE CO[C@@H]1C[C@H](CO)N(c2ccc([C@H](C)N)c(O)c2)C1 311629963 IYMSQXDCUQRSCL-MVWJERBFSA-N 266.341 0.998 10 10 CCCE C[C@H]1CC[C@H]1NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 311696814 LISWOKRGESOXCC-INTQDDNPSA-N 264.325 0.882 10 10 CCCE Nc1ccc(CC(=O)N2CCC[S@](=O)CC2)cc1 321569874 APLSFLSJKKAJGI-SFHVURJKSA-N 266.366 0.792 10 10 CCCE [N-]=[N+]=NCCNC(=O)[C@@H]1CC(=O)N(CC2CC2)C1 701263286 BJSQBOALQUMDMV-SECBINFHSA-N 251.290 0.671 10 10 CCCE CN1CCc2cc([C@@H](O)[C@]3(N)CCS(=O)(=O)C3)ccc21 2172178778 AFVAOGQVROLJDY-KGLIPLIRSA-N 296.392 0.228 10 10 CCCE C[C@H]1C[C@@H](O)CCN1C(=O)c1cc(O)nc(O)c1 705051806 YMTXRDVGCCQCQS-CBAPKCEASA-N 252.270 0.478 10 10 CCCE CN1CCN(NCc2cc(F)cc(F)c2O)CC1 708436379 MFQCRWXDRDLCCK-UHFFFAOYSA-N 257.284 0.922 10 10 CCCE CNCc1ccc(N2CCN(C)[C@@H](CO)C2)cc1C 687612293 MSKIUTTVTCROFN-OAHLLOKOSA-N 263.385 0.827 10 10 CCCE Nc1ccc(CC(=O)N[C@@H]2COCC[C@@H]2O)cc1 710887645 WMTOFVYGBGGICC-NEPJUHHUSA-N 250.298 0.077 10 10 CCCE C[C@@]1(NCc2cc(F)cc(F)c2O)CCC(=O)NC1=O 2172847433 VYHHZBJUTMRJEX-CYBMUJFWSA-N 284.262 0.955 10 10 CCCE O=C(NCc1ccccc1O)[C@@H]1CNCCS1 699037242 RNHYCLZGLRPFGS-NSHDSACASA-N 252.339 0.713 10 10 CCCE Oc1ccc(CNC[C@H]2[C@@H]3COC[C@H]23)c(O)c1O 395155135 OEGZPKHVLVOYSW-OWUUHHOZSA-N 251.282 0.785 10 10 CCCE NC(=O)[C@@H]1CCC[C@H]1NCc1cc2c(cc1O)OCO2 2174101895 BFGWYFWKOKAZPF-NXEZZACHSA-N 278.308 0.865 10 10 CCCE CN1CCc2cc(CN3CC[C@@H](CO)[C@@H](N)C3)ccc21 2178867200 LHKKRZSGBRHVMQ-GJZGRUSLSA-N 275.396 0.820 10 10 CCCE CN(Cc1cnnn1C)c1ccc(CO)c([N+](=O)[O-])c1 2188574836 CWWWDHPBHUBYEV-UHFFFAOYSA-N 277.284 0.852 10 10 CCCE CC1(C(=O)O)CC(NC(=O)c2cc(O)c(O)c(O)c2)C1 2188868444 REZDMYRIUZBSPD-UHFFFAOYSA-N 281.264 0.787 10 10 CCCE O=C(O)[C@@H](F)C1CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2188867464 AVDUOBLFVIYKHP-VIFPVBQESA-N 285.227 0.298 10 10 CCCE CN(Cc1cncnc1)C(=O)c1cc(O)c(O)c(O)c1 2188922602 HIZYKTDHBPIUCP-UHFFFAOYSA-N 275.264 0.866 10 10 CCCE COCCC(=O)N1CCN(c2ccc(CN)cc2)CC1 2182578041 JBOZMPIOLSGTTI-UHFFFAOYSA-N 277.368 0.830 10 10 CCCE CN(CC(=O)c1ccc(O)c(O)c1)[C@H]1CCC(=O)NC1 2183452923 ZXZHKGGQXXGZHM-JTQLQIEISA-N 278.308 0.491 10 10 CCCE CN(C)c1ccc(CNCCOCCOCCO)cc1 2184295055 QGEQVNLXXOQYIJ-UHFFFAOYSA-N 282.384 0.868 10 10 CCCE C[C@@H](N)c1cc(F)c(N(C)[C@@H]2CC(=O)NC2=O)c(F)c1 2194711377 XKUQZDGTHFKMEF-LHLIQPBNSA-N 283.278 0.836 10 10 CCCE N=c1nc(Cl)[nH]c(=NCCc2ccc(N)cc2)[nH]1 2044029076 GXCZOGIBVMLTKL-UHFFFAOYSA-N 264.720 0.596 10 10 CCCE O=C(c1cccc(O)c1O)N1CCO[C@@H]2C[C@@H](O)C[C@H]21 2185336285 DFIJPUOTGZYERL-MKPLZMMCSA-N 279.292 0.462 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)[C@@H]2CNCCC2(F)F)C1 2049780160 GKTIGYZLVCUPFQ-CIUDSAMLSA-N 260.284 0.497 10 10 CCCE CN[C@H]1CCN(C(=O)c2ccc(O)c(O)c2)[C@@H]1C 2051933144 SYGIOEZUKHFTKS-SCZZXKLOSA-N 250.298 0.920 10 10 CCCE N[C@H](C(=O)C(=O)C[C@H]1C[C@H](N)C1)C1C[C@@H]2C[C@H]2C1 2052132891 WDDHDSPRCXXBTN-HUWMYRJZSA-N 250.342 0.625 10 10 CCCE COc1cc(N)c(N2C[C@@H](OC)C[C@@H]2CN)cc1OC 2191604579 DCMGGMLOJBIMEA-ZJUUUORDSA-N 281.356 0.838 10 10 CCCE O=C1N[C@H]2CN(Cc3c(O)cccc3F)C[C@@H]2O1 2056812906 PPQVONKNURGWLU-ONGXEEELSA-N 252.245 0.824 10 10 CCCE Nc1ccc(OCC(=O)N2C[C@@H]3CC[C@@H](N)[C@H]3C2)cc1 2191714559 PLUKNOIXFDZNQT-LEWSCRJBSA-N 275.352 0.843 10 10 CCCE COCCOC[C@H](O)CN1CCC[C@@H]1CN=[N+]=[N-] 2059054386 WQBFOJPUXKTBRN-GHMZBOCLSA-N 258.322 0.785 10 10 CCCE CN(c1ccc2c(c1)CCC[C@@H]2N)C(CO)CO 2065022695 RJTMCUMICIYVPV-AWEZNQCLSA-N 250.342 0.812 10 10 CCCE CNS(=O)(=O)C1CN(c2ccc(OC)cc2N)C1 2067133251 ZFDHSAWOUSEDOV-UHFFFAOYSA-N 271.342 0.015 10 10 CCCE NCc1ccc(N2CC[C@@H](O)[C@H](O)C2)c(F)c1F 2068378481 UYJLLIOIZGFWKE-NXEZZACHSA-N 258.268 0.355 10 10 CCCE CN1C[C@@H]2C[C@H](C1)N2C[C@@H](O)COc1ccc(N)cc1 2187623039 MJJOYICKPDOCSS-HZSPNIEDSA-N 277.368 0.397 10 10 CCCE CO[C@@H](CCN)C(=O)N[C@H](C)c1ccccc1O 2072484820 RDGREANVZRQJBS-SKDRFNHKSA-N 252.314 0.933 10 10 CCCE C[C@H](NC(=O)[C@]1(O)CCNC1)c1ccccc1O 2072486412 MEVPCMZXKOXJIQ-ZANVPECISA-N 250.298 0.294 10 10 CCCE C[C@H](O)c1cc(F)c(N(C)C(CO)CO)c(F)c1 2074079973 GRVHVDIHHOZFFM-ZETCQYMHSA-N 261.268 0.808 10 10 CCCE O=C(N[C@@H]1C[C@@]2(C(=O)O)C[C@H]12)c1cccc(O)c1O 2104713445 JIOFBDLQRJAPEO-RBDZCENOSA-N 263.249 0.691 10 10 CCCE Nc1ccc(NC(=O)Cn2cc(C(=O)O)nn2)cc1 2105967513 AJSHNTAKYYRPNA-UHFFFAOYSA-N 261.241 0.197 10 10 CCCE Nc1ccc(NC(=O)NC[C@@H](O)c2cnc[nH]2)cc1 2088649734 PQALSIXRSCHHKE-LLVKDONJSA-N 261.285 0.847 10 10 CCCE CCN(CC(=O)OC)CC(=O)c1ccc(O)c(O)c1 2108835889 YSGPNKVGFPJKHG-UHFFFAOYSA-N 267.281 0.775 10 10 CCCE NC(=O)c1cccc(N)c1N[C@H]1CC[C@@H](C(N)=O)C1 2089990778 OWFYCYRKKXXUTB-SFYZADRCSA-N 262.313 0.434 10 10 CCCE COC[C@@](C)(N)C(=O)NCCc1ccc(O)c(O)c1 2091749423 XWJUNAWEFXQAHP-CYBMUJFWSA-N 268.313 0.120 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC[C@@H]3C[C@]3(O)C2)cc1 2114559073 OZAWQTDTSWAUHV-YPMHNXCESA-N 282.365 0.555 10 10 CCCE CCN(c1ccc(CN)cc1C)[C@H]1CC(=O)NC1=O 2114732306 LOOJTWUGHCWEAR-LBPRGKRZSA-N 261.325 0.695 10 10 CCCE C[C@@H](c1c(O)cccc1O)N1CC[C@@](CO)(C(=O)O)C1 2201088883 RTTPXSDBANADCE-LKFCYVNXSA-N 281.308 0.928 10 10 CCCE COC(=O)CCN(CC(=O)O)Cc1c(O)cccc1F 2201041630 DMHLBCYFRLZYDV-UHFFFAOYSA-N 285.271 0.981 10 10 CCCE COc1cc(N2CCN3C(=O)CC[C@H]3C2)ccc1CN 2204546617 BFZZROFLHTTXON-ZDUSSCGKSA-N 275.352 0.965 10 10 CCCE Nc1cc2c(cc1N1CC(OCCCO)C1)OCCO2 2206947130 XJJNRXYTMBHPHS-UHFFFAOYSA-N 280.324 0.628 10 10 CCCE Oc1cccc(CN[C@@H]2CCC[C@H](O)[C@H]2O)c1O 2217641065 DEFDOOJLMGOOES-CDMKHQONSA-N 253.298 0.462 10 10 CCCE COc1ccc(N2C[C@H](O)C[C@@H]2CO)c(F)c1F 2219772172 YGBZDPREURBAFJ-HTQZYQBOSA-N 259.252 0.905 10 10 CCCE COC(=O)[C@@H]1CC[C@H]1NC(=O)c1cccc(O)c1O 2224840306 BLPOGGOZWAYWLJ-VXNVDRBHSA-N 265.265 0.779 10 10 CCCE CN(C)c1ccc(O[C@@]2(C(=O)O)CCS(=O)(=O)C2)cc1 2237705007 QRMPBYNYGIFZAN-ZDUSSCGKSA-N 299.348 0.773 10 10 CCCE C[C@H](CNC(=O)c1ccc(O)c(O)c1)[C@@]1(O)CCNC1 2238447686 RGPYRIYWVXPGOG-YMTOWFKASA-N 280.324 0.188 10 10 CCCE CSc1ncc(CNC(=O)[C@@H]2C[C@H](O)CCN2)s1 2257084852 NAKSVHGORUKPMI-APPZFPTMSA-N 287.410 0.594 10 10 CCCE CO[C@H]1[C@@H](NCc2cc3c(cc2O)OCO3)C[C@H]1O 2271168699 FIGRNNCMGSUOFK-PLMOITTCSA-N 267.281 0.359 10 10 CCCE O=C(c1cccc(O)c1O)N1CC[C@](CF)(C(=O)O)C1 2281247858 JVWWOJWOYVMCFY-CYBMUJFWSA-N 283.255 0.984 10 10 CCCE CN(C)S(=O)(=O)N1CCc2cc(O)c(O)cc2C1 2318660437 QDBUNVJTOWMRFE-UHFFFAOYSA-N 272.326 0.262 10 10 CCCE Nc1ccc(OC[C@@H](O)CN2C[C@@H](O)[C@H](F)C2)cc1 2328762126 UMURNAGNAIYPRC-CYZMBNFOSA-N 270.304 0.023 10 10 CCCE C[P@@]1(=O)C[C@@H](O)[C@H](Nc2c(N)cccc2C(N)=O)C1 2330872685 HXWCEWAPXVEVFF-HQVAUKCESA-N 283.268 0.516 10 10 CCCE C[C@H]1COC[C@@H](C(=O)N[C@H](C)c2ccccc2O)N1 2332172811 KOHMNPQMLNWFDE-UMNHJUIQSA-N 264.325 0.946 10 10 CCCE CCNCc1ccc(N2C[C@@H]3C[C@H]2[C@H](O)[C@@H]3O)c(F)c1 2354485525 OSPLWBJRDUZHPF-HPEDKQMDSA-N 280.343 0.866 10 10 CCCE O=C([C@H]1CNc2ccccc2N1)N1C[C@@H]2C[C@@H](O)[C@H]1C2 2355624692 USEDDLQHSFCYOT-KQURDKLPSA-N 273.336 0.874 10 10 CCCE COC(=O)C(C)(C)CNC(=O)c1cc(O)nc(O)c1 302577769 QTWFDRFOWQZONI-UHFFFAOYSA-N 268.269 0.422 10 10 CCCE Nc1ccc(CS(=O)(=O)Nc2nnns2)cc1 127429265 MDDZZWSXESVVQQ-UHFFFAOYSA-N 271.327 0.457 10 10 CCCE N[C@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)[C@@H]2CC[C@H]12 2357029739 JZNDSIPVFRLILZ-KXUCPTDWSA-N 278.308 0.755 10 10 CCCE Nc1ccc(OCCN2[C@H]3CC[C@@H]2C[C@@H](O)[C@@H]3O)cc1 2357051801 BRKVXVMVFRTMPA-FAAHXZRKSA-N 278.352 0.606 10 10 CCCE Oc1ccc(CNCCn2ccnn2)c(O)c1O 236586265 MDRGIRYCPACYJS-UHFFFAOYSA-N 250.258 0.185 10 10 CCCE O=C(NCCN1C(=O)CSC1=S)[C@H]1CCCO1 49755355 GQDZHACFXYFWGU-SSDOTTSWSA-N 274.367 0.142 10 10 CCCE CNC(=O)[C@H]1CCCN1c1ccc(CN)c(F)c1 135223964 ISSKAZIICKXPIX-GFCCVEGCSA-N 251.305 0.999 10 10 CCCE O=C(N[C@H]1C=C[C@H](C(=O)O)C1)c1ccc(O)c(O)c1 236450156 HYBCIDNEMZJARQ-IUCAKERBSA-N 263.249 0.857 10 10 CCCE C[C@@H](NCCS(C)(=O)=O)c1c(O)cccc1O 235188530 KBJYFCCFJXKFJP-MRVPVSSYSA-N 259.327 0.793 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC[C@@]2(CCCNC2)C1 709789985 FAFGIZNGIVYTNC-CQSZACIVSA-N 277.324 0.709 10 10 CCCE COC[C@]1(C)COCCN1C(=O)c1ccc(O)c(O)c1 2168248022 GCQXZPGDVKLCNP-CQSZACIVSA-N 281.308 0.975 10 10 CCCE CC[C@@H]1CN(c2ccc3c(c2)NC(=O)[C@H]3N)C[C@@H]1O 399999993 YBYWCKYGIQQQBX-JCOFBHIZSA-N 261.325 0.846 10 10 CCCE O=C(NCc1ccc(O)c(O)c1)[C@@H](O)C1CCC1 827316568 FALFJVVJTVQSNI-LBPRGKRZSA-N 251.282 0.875 10 10 CCCE COC(=O)CC[C@@H](N)C(=O)N(C)Cc1ccccc1O 827209598 AZNKYBIJSZBZSP-LLVKDONJSA-N 280.324 0.631 10 10 CCCE Cn1nc(O)c2c1CN(C(=O)c1cccc(O)c1O)CC2 913032279 OSCKXBZXJLKNTA-UHFFFAOYSA-N 289.291 0.735 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC[C@@H]3COC[C@@H]32)cc1 1899077775 WVLGXRSTRJJKQZ-YPMHNXCESA-N 282.365 0.819 10 10 CCCE Nc1ccc(NC(=O)C(=O)N2CCN(C3CC3)CC2)cc1 841023450 DFBAXAYKJWUWOY-UHFFFAOYSA-N 288.351 0.514 10 10 CCCE COc1ccc(N2CCN(C[C@@H](O)[C@H](C)O)CC2)cc1 929152802 DXRMGLFFWUTPDF-SWLSCSKDSA-N 280.368 0.559 10 10 CCCE C[C@H](c1ccc(O)cc1O)N1CCO[C@@H]2CNC[C@@H]21 686535748 GLUUZROTAAZDJK-LJWDBELGSA-N 264.325 0.831 10 10 CCCE C[C@H](NCC1(CO)COC1)c1c(O)cccc1O 717574057 JJBWLOGKQMRBPG-VIFPVBQESA-N 253.298 0.757 10 10 CCCE CO[C@H]1CS(=O)(=O)C[C@H]1N(C)c1ccc([C@H](C)O)cc1 696824615 RSSOHVPKHBQJHT-GDLCADMTSA-N 299.392 0.988 10 10 CCCE 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CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H](CO)C1CC1 1137778781 WCZZOUUNDDSPQD-JTQLQIEISA-N 251.282 0.527 10 10 CCCE CN(C)c1ccc(C=CC(=O)N[C@@H](CN)CO)cc1 1876250593 WQSIRBIZNWJJNM-LBPRGKRZSA-N 263.341 0.202 10 10 CCCE CCNCCNS(=O)(=O)CCOc1ccc(N)cc1 1876403711 MRXXMCIOYFQAIC-UHFFFAOYSA-N 287.385 0.177 10 10 CCCE Nc1ccc(OCCC(=O)N2CCN[C@H]3C[C@H]32)cc1 1876483684 ODSHOXJCXMRZPC-QWHCGFSZSA-N 261.325 0.610 10 10 CCCE NC(=O)[C@H]1CCC[C@H]1NC(=O)c1cccc(O)c1O 1970119723 TYZIDUSBTZAQMC-IONNQARKSA-N 264.281 0.482 10 10 CCCE CS(=O)(=O)CCc1noc(-c2cccc(O)c2O)n1 1971176367 UCYBTVOAMISOCL-UHFFFAOYSA-N 284.293 0.735 10 10 CCCE N=C(NO)C1(C(=O)NCCc2ccc(O)c(O)c2)CC1 2148001794 XPWXHHMQPBLURG-UHFFFAOYSA-N 279.296 0.493 10 10 CCCE CN(Cc1ccc(N)cc1)c1cc(=O)n(C)c(=O)n1C 2145084821 AHWQCGHMLQYZMX-UHFFFAOYSA-N 274.324 0.303 10 10 CCCE CN1CCN(c2ccc3c(c2)N(C)C(=O)[C@H]3N)CC1 155736488 JMHINAUSMOTOGZ-ZDUSSCGKSA-N 260.341 0.415 10 10 CCCE NC(=O)[C@@H]1CCC[C@@H](NC(=O)c2ccc(O)c(O)c2)C1 2146218673 BUFYYVTVVNTOBI-PSASIEDQSA-N 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CCCE CN(C)c1ccc(CNS(=O)(=O)C[C@@H]2CC[C@@H]2O)cc1 2178203620 AKJPHVNSHPSDRM-JSGCOSHPSA-N 298.408 0.943 10 10 CCCE C[C@@H](C(=O)N1CCNCC1)N(C)Cc1ccccc1O 2192596968 YXMNYLLETCHEAG-LBPRGKRZSA-N 277.368 0.644 10 10 CCCE NC(=O)[C@@H]1CCCCN1c1ccc(CO)c([N+](=O)[O-])c1 2188571867 KOZSGXCBWAFLRG-NSHDSACASA-N 279.296 0.931 10 10 CCCE O=C(NC[C@H](CO)C1CCC1)c1cc(O)c(O)c(O)c1 2188867634 DNTOXRYRNNLTAB-SNVBAGLBSA-N 281.308 0.942 10 10 CCCE COC(=O)[C@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)C1 2188867483 BGXZTOGWESJBRG-ZETCQYMHSA-N 281.264 0.439 10 10 CCCE NC(=O)[C@H]1CCCCN1C(=O)c1cc(O)c(O)c(O)c1 2188867665 FDGMEKCJFVOZRV-MRVPVSSYSA-N 280.280 0.283 10 10 CCCE Nc1ccc(OCCS(=O)(=O)N2[C@H]3COC[C@H]2C3)cc1 2198583105 PCFUMLKZPWRPRA-VXGBXAGGSA-N 298.364 0.451 10 10 CCCE CN(CCN(C)S(C)(=O)=O)c1ccc2c(c1)CC[C@H]2N 2184725293 IKYYKYUGHMRQJU-CQSZACIVSA-N 297.424 0.960 10 10 CCCE CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](O)CN 2056749620 OCQMTUWCARXLIO-LBPRGKRZSA-N 251.330 0.031 10 10 CCCE COC1(C(N)=O)CN(c2c(F)cc([C@@H](C)O)cc2F)C1 2194520083 SXLWQGACBWYCHI-SSDOTTSWSA-N 286.278 0.709 10 10 CCCE O=C1C[C@H](NC(=O)[C@H]2CNc3ccccc3N2)CCN1 2186331612 WWLZMKKQHHCKCL-BXKDBHETSA-N 274.324 0.287 10 10 CCCE C[S@](=O)C1CN(c2ccc(CO)c([N+](=O)[O-])c2)C1 2068304668 WMEVQBNBPUVUSN-SFHVURJKSA-N 270.310 0.654 10 10 CCCE C[C@H](N)c1ccc(N2CC[C@@H](O)[C@@H](O)C2)c(F)c1 2068368007 AXBVXTPMSQHQIQ-CKLFPEKLSA-N 254.305 0.777 10 10 CCCE C[C@@H]1CNC[C@@H]1NS(=O)(=O)Cc1ccc(N)cc1 2071668081 TWWMMEABVKHHDF-SKDRFNHKSA-N 269.370 0.296 10 10 CCCE COc1ccc(O)c(CNCc2nnc(O)o2)c1 2081296238 KKKAGPRLYORGDW-UHFFFAOYSA-N 251.242 0.779 10 10 CCCE Oc1cccc(CNC[C@@H]2CO[C@H]3COC[C@H]23)c1O 2101838652 FFVRKSIVUAVAON-WZRBSPASSA-N 265.309 0.849 10 10 CCCE COC[C@@](O)(CO)CN[C@H](C)c1ccc(O)cc1O 2102399394 NLBMEBCZMRRPOR-RNCFNFMXSA-N 271.313 0.118 10 10 CCCE COc1cc(N(C)[C@@H]2CCNC2=O)ccc1CO 2084014502 TUVBYFSQLDJEEE-LLVKDONJSA-N 250.298 0.512 10 10 CCCE COc1ccc(N2C[C@@H](N)C[C@@H](C(N)=O)C2)cc1F 2106384894 ZNRQFCTZUKUYGD-BDAKNGLRSA-N 267.304 0.473 10 10 CCCE CN1CCc2cc([C@@H](Cn3nccn3)NN)ccc21 2106857685 NRTLONAHNQEWMX-GFCCVEGCSA-N 258.329 0.475 10 10 CCCE C[C@H](N[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O)c1cc(F)ccc1O 2108830216 RJRXXQKSHMZUBP-WZJGZQACSA-N 271.288 0.037 10 10 CCCE C[C@@H](O)c1ccc(N2CCCC2(CO)CO)cc1O 2089868902 WKKLUJNLWVSRIN-SNVBAGLBSA-N 267.325 0.769 10 10 CCCE NC[C@@H]1C[C@H](NC(=O)c2ccc(O)c(O)c2)[C@@H]2C[C@H]12 2110582426 YQZJOVIHOPDEQO-ZDCRXTMVSA-N 262.309 0.811 10 10 CCCE COC(=O)[C@H](C1CC1)S(=O)(=O)N(C)CCCN=[N+]=[N-] 2110765788 BASXHIFWEDNOLE-VIFPVBQESA-N 290.345 0.900 10 10 CCCE O=C(O)[C@@H]1Cc2nnc(-c3cccc(O)c3O)n2C1 2111460030 VEDQLWOGFNEXKO-ZCFIWIBFSA-N 261.237 0.613 10 10 CCCE CCOc1cccc(CN[C@@H](COC)C(N)=O)c1O 2096065016 IPTGVDJENVNTQE-JTQLQIEISA-N 268.313 0.381 10 10 CCCE CN(CCN)Cc1nc(-c2ccc(O)c(O)c2)no1 2096647349 ZNCIIBUOSWIEGL-UHFFFAOYSA-N 264.285 0.538 10 10 CCCE C[C@@H](O)c1ccc(N(C)[C@@H]2CC(=O)NC2=O)c(F)c1 2114727163 MYSWFKDILMFPBA-RDDDGLTNSA-N 266.272 0.730 10 10 CCCE COc1ccc(O)c(CN(C)[C@H]2CC(=O)NC2=O)c1 2114731607 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COc1ccc(N2CCO[C@H]([C@@H](C)O)C2)c(CO)c1 2227711931 URIHYEQDJSHWCI-YGRLFVJLSA-N 267.325 0.774 10 10 CCCE Nc1ccc(CS(=O)(=O)NC[C@H]2CC[C@H]2N)cc1 2259352515 UPLHGAQNNIKPQK-ZYHUDNBSSA-N 269.370 0.426 10 10 CCCE CN[C@@H](c1ccccc1O)[C@@]1(O)COC2(COC2)C1 2270789227 VAIICXWIHDOPKG-JSGCOSHPSA-N 265.309 0.573 10 10 CCCE c1cc(N2CCNCC2)ccc1CN[C@]12COC[C@@H]1C2 2286072452 CCNXOQFCZLCTIW-GOEBONIOSA-N 273.380 0.975 10 10 CCCE CNC[C@@]1(O)CCCN(Cc2ccc(OC)cc2O)C1 2286327585 QWOPXBSGPZEYHU-HNNXBMFYSA-N 280.368 0.947 10 10 CCCE N[C@H]1CC[C@H]1S(=O)(=O)Nc1ccc(O)c(F)c1 2300757009 IVPVBORGPWRCAL-WCBMZHEXSA-N 260.290 0.763 10 10 CCCE Cc1cccc(CN2C[C@H]3CS(=O)(=O)[C@@H]3C2)c1O 2314965726 VPUXPTIQKHPLKH-NWDGAFQWSA-N 267.350 0.929 10 10 CCCE CN1C(=O)[C@H](O)c2ccc(N3C[C@@H]4C[C@@H](O)[C@H]3C4)cc21 2355626173 SMIMDGQFVDFAPU-OKVQYTGBSA-N 274.320 0.656 10 10 CCCE CN[C@@H]1CCc2cc(N3C[C@@H]4C[C@H]3[C@@H](O)[C@@H]4O)ccc21 2356171928 DJTHASKROBJBSL-YRSMIWHRSA-N 274.364 0.824 10 10 CCCE [N-]=[N+]=N[C@H]1CCCN(C(=O)N[C@@H]2CCS(=O)(=O)C2)C1 1893243409 LOFUZZWAUPRNMA-DTWKUNHWSA-N 287.345 0.658 10 10 CCCE O=C1CNC[C@H](c2cccc(Br)c2O)N1 1952134618 FTIWFJZFEWFNNP-MRVPVSSYSA-N 271.114 0.915 10 10 CCCE COCCN(CCOC)C[C@@H](O)COc1ccc(N)cc1 36197539 YVFPPWUJSGQHGY-CQSZACIVSA-N 298.383 0.603 10 10 CCCE Nc1ccc(Cn2cc(Br)c(=O)[nH]c2=O)cc1 88452896 IURITIGWEZWGQY-UHFFFAOYSA-N 296.124 0.930 10 10 CCCE NC(=O)[C@@H](O)CNCc1cc(Cl)cc(Cl)c1O 228618258 HVOSAOHHAGFPHS-QMMMGPOBSA-N 279.123 0.635 10 10 CCCE O=C(O)Cc1ccc(O)c([C@H]2COCC(=O)N2)c1 725401309 RQJMMWCWRPNVDH-SECBINFHSA-N 251.238 0.207 10 10 CCCE C[C@@H](NC(=O)CCNC(=O)CO)c1ccccc1O 913764033 YUMXGGHVSKXZKO-SECBINFHSA-N 266.297 0.068 10 10 CCCE C[C@H](C(=O)Nc1ccc(N)cc1)S(=O)(=O)[C@H]1CCOC1 703082466 MGAKDJRKEMHTHW-SKDRFNHKSA-N 298.364 0.800 10 10 CCCE C[C@@H](CN[C@H](C)c1ccccc1O)S(N)(=O)=O 398284477 MSNPLOGHDAGFLF-DTWKUNHWSA-N 258.343 0.720 10 10 CCCE CCO[C@@H]1COCC[C@]1(NCCN=[N+]=[N-])C(=O)OC 686601054 JKOCFYPEJSCZHE-MWLCHTKSSA-N 272.305 0.624 10 10 CCCE COc1cc(O)c(CN2C[C@@H]3C[C@@]3(O)C2)cc1OC 895653853 OFCVSDRLHGERBR-IINYFYTJSA-N 265.309 0.976 10 10 CCCE CO[C@H]1C[C@H]1C(=O)N(CC(N)=O)Cc1ccc(N)cc1 690068526 GUNJZDAPQWZDNH-NEPJUHHUSA-N 277.324 0.118 10 10 CCCE COC[C@H](CCNC(=O)c1ccc(O)c(O)c1)OC 694450641 GAWSQXPLLCIJBG-JTQLQIEISA-N 269.297 0.879 10 10 CCCE CN(Cc1ccc(N)cc1)c1ccc2nnnn2n1 94726708 BHAMLCAPYJZDPR-UHFFFAOYSA-N 255.285 0.738 10 10 CCCE CCOC[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CCO1 1151024088 PHUKKXUJLHHGSR-LBPRGKRZSA-N 295.335 0.904 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3CC4(CCO4)C3)cc21 2115157865 FRVTYGUODIOUOT-GFCCVEGCSA-N 259.309 0.642 10 10 CCCE O=C1Nc2cc(N3CCC34COC4)c(F)cc2[C@@H]1O 2115224039 YILUKUMTOFIXQO-NSHDSACASA-N 264.256 0.790 10 10 CCCE CCc1cccc(CN[C@H]2CCO[C@@H]2C(N)=O)c1O 2117464369 YADRIGKLRVIVSO-AAEUAGOBSA-N 264.325 0.687 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CC4(CC[C@@H]4O)C3)ccc21 2123113596 CUBDIRRPIPTBIO-RYUDHWBXSA-N 259.309 0.600 10 10 CCCE Nc1ccc(CN2C[C@@H]3[C@H](C(=O)O)CO[C@H]3C2)cc1 1891506525 LOVWQZBDUPLECF-UPJWGTAASA-N 262.309 0.800 10 10 CCCE CC1(C)CN[C@H]1CNC(=O)c1cc(O)c(O)c(O)c1 2132418087 HSMMEAQTRHZLBS-JTQLQIEISA-N 266.297 0.531 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN(C(=O)[C@H]2CCS(=O)(=O)C2)C1 1912202828 MPFXZAOVLYQARX-ZJUUUORDSA-N 286.357 0.970 10 10 CCCE CN[C@@H](C)c1ccc(N(CCO)C2COC2)cc1O 1915539064 PYZLHLBKGISINK-JTQLQIEISA-N 266.341 0.870 10 10 CCCE O=C(N[C@H](CO)[C@@H]1CCCOC1)c1cccc(O)c1O 1299349680 HOMVBYIEBMCFPY-MWLCHTKSSA-N 281.308 0.615 10 10 CCCE C[C@]1(NC(=O)Cc2ccc(O)c(O)c2)CCOC1 1295073924 ZYELUTHGBUCYLC-ZDUSSCGKSA-N 251.282 0.936 10 10 CCCE CCn1nnc(C)c1CNC(=O)Cc1ccc(O)c(O)c1 1452360466 BYPFLHXQRGNRIC-UHFFFAOYSA-N 290.323 0.877 10 10 CCCE CN(C)CCCNC(=O)CCN1C(=O)CSC1=S 1865764875 FICPDBYQFRCJFR-UHFFFAOYSA-N 289.426 0.305 10 10 CCCE C[C@H](O)[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)CCO1 1556995682 KHZWDQUMYBAMLN-GBDCTRRUSA-N 293.319 0.719 10 10 CCCE C[C@H]1CN(C(=O)c2cccc(O)c2O)C[C@@H](CN)O1 230062921 MZOMQRURVTYENC-DTWKUNHWSA-N 266.297 0.286 10 10 CCCE COc1cncc(C(=O)NCc2cccc(O)c2O)n1 1651175521 AWUFTYHWQUELGU-UHFFFAOYSA-N 275.264 0.826 10 10 CCCE O=C(Cc1nc2ncccn2n1)N1Cc2cccc(O)c2C1 1650673594 XZGDYABDIPQMGW-UHFFFAOYSA-N 295.302 0.915 10 10 CCCE Cc1cccc(CNS(=O)(=O)C2CCNCC2)c1O 2139764098 NVXXVZGVWNIXPH-UHFFFAOYSA-N 284.381 0.872 10 10 CCCE Cc1cccc(CN=c2nc([N+](=O)[O-])[nH]n2C)c1O 2139765925 ZKLIBGGVLOWLCE-UHFFFAOYSA-N 263.257 0.771 10 10 CCCE C[C@@H]1OCC[C@@H]1N(C)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 159226410 JGUOPJBWRQMLKQ-DLOVCJGASA-N 294.351 0.603 10 10 CCCE NCC[C@@H]1C(=O)NN(c2ccc(Cl)cc2)C1=O 106654667 UHSDSQVYQDIMRH-SECBINFHSA-N 253.689 0.683 10 10 CCCE C[C@@H](NC(=O)c1ccc(O)c(O)c1)C(=O)NC1CC1 235197581 SUUKUCVBLSNQIA-SSDOTTSWSA-N 264.281 0.495 10 10 CCCE Oc1ccc(-c2nnnn2C[C@@H]2CCCNC2)cc1O 2143888333 LPLAIYRHYVTTSE-SECBINFHSA-N 275.312 0.751 10 10 CCCE CCOC(=O)[C@@]1(NCCN=[N+]=[N-])C[C@H]2CC[C@H]1CN2 1876036295 OJCCWZVXAWCNIO-HOSYDEDBSA-N 267.333 0.960 10 10 CCCE Nc1ccc(NC(=O)N2C[C@@H](O)CC23CNC3)cc1 1876161103 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Nc1ccc(CC(=O)NC[C@@H]2CCNC(=O)C2)cc1 1969110283 QHPRTIHSJQBNAH-LLVKDONJSA-N 261.325 0.454 10 10 CCCE C[C@](O)(C1CCS(=O)(=O)CC1)[C@H](N)c1ccccc1O 2148154235 RITCPAPKNOBFHI-KGLIPLIRSA-N 299.392 0.968 10 10 CCCE C[C@H]1C[C@H](CN)CN1C(=O)Cc1ccc(O)c(O)c1 1971695623 SAFWUPYAIAXUIC-GXSJLCMTSA-N 264.325 0.836 10 10 CCCE Nc1ccc(NC(=O)N2CCC[C@@H]2CS(N)(=O)=O)cc1 2146411991 JRWISSRCDFESQF-LLVKDONJSA-N 298.368 0.554 10 10 CCCE Nc1ccc(CCC(=O)N[C@@H]2COC[C@@H]2C(=O)O)cc1 158169995 ZZXYBVZKUABPCI-NWDGAFQWSA-N 278.308 0.417 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N3CC(C)(C)[C@H]3CO)cc21 2148959480 YUHJRESHBZBQGW-OLZOCXBDSA-N 275.352 0.870 10 10 CCCE C[C@H](O)[C@H]1CCN(CC(=O)Nc2ccc(N)cc2)C1 161625632 HYUISKSMDANTBY-QWRGUYRKSA-N 263.341 0.910 10 10 CCCE CN[C@@H]1CC[C@H]2CN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 2149384785 WFFOLFWQKGRTNR-INTQDDNPSA-N 277.324 0.563 10 10 CCCE CC1(O)CCN(S(=O)(=O)Cc2ccc(N)cc2)CC1 168475906 MWBUOQXQXDLFBW-UHFFFAOYSA-N 284.381 0.945 10 10 CCCE COc1cc(N2CC([S@](C)=O)C2)ccc1CN 2024763486 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393280107 XGWHAEUZHDJXKC-UHFFFAOYSA-N 276.340 0.989 10 10 CCCE Oc1cccc(-c2nc(CCn3cncn3)no2)c1O 395952668 LQPNLPFRUOXHFW-UHFFFAOYSA-N 273.252 0.982 10 10 CCCE NCc1ccc(N2CCN(C3COC3)CC2)c(F)c1F 2169591896 PJRGITGDWSRDAN-UHFFFAOYSA-N 283.322 0.944 10 10 CCCE O=C(N[C@H]1CO[C@]2(CCOC2)C1)c1ccc(O)c(O)c1 2178987898 BFIGPTXMODMQPX-QMTHXVAHSA-N 279.292 0.776 10 10 CCCE O=C1C[C@H](CCNCc2ccc(O)c(O)c2O)CCN1 2182203216 LFVXMAYMOXFZDD-SECBINFHSA-N 280.324 0.809 10 10 CCCE COc1ccc(N2C[C@@H](CCO)[C@@H](CO)C2)c(N)c1 2093510087 PNCIOROSGBCPBK-GHMZBOCLSA-N 266.341 0.705 10 10 CCCE O=C(N[C@H]1C[C@@H](n2cncn2)C1)c1ccc(O)c(O)c1 2184081767 ISLFEEXQZBONQB-AOOOYVTPSA-N 274.280 0.823 10 10 CCCE C[C@H]1CNC(=O)C[C@](NCCN=[N+]=[N-])(C(=O)O)C1 2042117599 HQLBBPQFHAJMLE-XCBNKYQSSA-N 255.278 0.256 10 10 CCCE [N-]=[N+]=NCCCCN1CC[C@@]2(C1)NC(=O)NC2=O 2051089451 YZBCCRDBPAWMGV-JTQLQIEISA-N 252.278 0.361 10 10 CCCE C[C@H](O)[C@H]1CN(CCc2ccc(N)cc2)CCO1 2053844691 JROSXQQFZZUDQP-SMDDNHRTSA-N 250.342 0.893 10 10 CCCE C[S@@](=O)CC1(C)CN(c2ccc3c(c2)NC(=O)[C@@H]3N)C1 2186337900 WLXYUVWIRLHUJQ-MPBGBICISA-N 293.392 0.843 10 10 CCCE CN(C[C@H]1CNCCO1)c1cc2c(cc1N)OCCO2 2191554547 ZXPCMMZCJLGRNN-SNVBAGLBSA-N 279.340 0.465 10 10 CCCE COCCN(C(=O)CCc1ccc(N)cc1)C1CNC1 2191681167 XRFPZJNDTMDECD-UHFFFAOYSA-N 277.368 0.648 10 10 CCCE OCC(CO)CCN[C@@H]1CCc2cccc(O)c21 2064522175 CVQDDTKTHKOHMQ-GFCCVEGCSA-N 251.326 0.960 10 10 CCCE N=c1[nH][nH]cc1S(=O)(=O)Nc1ccc(O)cc1Cl 2071731997 XDMSHIUXZSTJHZ-UHFFFAOYSA-N 288.716 0.982 10 10 CCCE NCc1cc(F)c(N2CCC2(CO)CO)cc1Cl 2073922606 VSDRPGWQHLYDSL-UHFFFAOYSA-N 274.723 0.871 10 10 CCCE C[C@H](N)c1cc(F)c(N2CC(O)(CO)C2)c(F)c1 2074212926 FKBXRDMVXRGYCI-ZETCQYMHSA-N 258.268 0.528 10 10 CCCE COc1cc(N2CC(=O)N[C@@H](C)C2)ccc1CO 2084014566 UPEIPTLCQCZNHJ-VIFPVBQESA-N 250.298 0.512 10 10 CCCE Cc1cccc(CNC(=O)[C@H]2C[C@H](O)CN2)c1O 2084056622 KFGLFXSMHBFQKM-WDEREUQCSA-N 250.298 0.040 10 10 CCCE Cc1cccc(O)c1CN1CCOC[C@@]1(CN)CO 2104507352 LUHWXDRDCNTQQR-CQSZACIVSA-N 266.341 0.223 10 10 CCCE Oc1ccc(CN[C@@]23COC[C@@H]2C3(F)F)c(O)c1O 2105564356 SKYBTECMQUAQAV-KWQFWETISA-N 273.235 0.927 10 10 CCCE COc1cc(C(=O)N[C@H]2C[C@@H](CN)C2)cc(OC)n1 2110626542 PHGDHBBEBMVCAI-WAAGHKOSSA-N 265.313 0.566 10 10 CCCE C[C@@H]1C[C@H]1N(CCO)c1ccc2c(c1)NC(=O)[C@H]2N 2110789900 OPVQRKHDOYVDOJ-WQHBLYJGSA-N 261.325 0.846 10 10 CCCE COc1cccc(CN[C@H]2CN(C)C[C@@H]2OC)c1O 2095437250 XTBFKXDQIOQUPD-AAEUAGOBSA-N 266.341 0.819 10 10 CCCE CCn1nnnc1CNCc1cc(OC)ccc1O 2113070545 XEQWEVRMZARJJS-UHFFFAOYSA-N 263.301 0.697 10 10 CCCE CO[C@H]1[C@H](CO)N(CCCCN=[N+]=[N-])C[C@H]1OC 2218195462 CNAWBDDPKOUOCB-AXFHLTTASA-N 258.322 0.783 10 10 CCCE COc1ccc(N2C[C@H](O)[C@@H](CO)C2)c(F)c1F 2219768912 KIXRYPFTYSMLMI-APPZFPTMSA-N 259.252 0.763 10 10 CCCE COc1ccc(N2C[C@@H](CO)[C@@H](F)C2)c(CO)c1 2220431482 UERJGFIWVVWLPL-JQWIXIFHSA-N 255.289 0.954 10 10 CCCE N=c1cc(CNC(=O)c2cccc(O)c2O)cc[nH]1 2231903608 XLILMWWNFSHJBD-UHFFFAOYSA-N 259.265 0.835 10 10 CCCE O=S(=O)(CCNCc1ccc(O)c(O)c1O)C(F)F 2224284646 CHAMPRSDNYCJIQ-UHFFFAOYSA-N 297.279 0.530 10 10 CCCE CN(CCN=[N+]=[N-])C(=O)[C@H]1[C@H](C(=O)O)[C@H]2C=C[C@H]1O2 2225791326 CNSQPFIYWYBOSH-FNCVBFRFSA-N 266.257 0.409 10 10 CCCE COc1ccc(N2C[C@@H]3NC(=O)O[C@@H]3C2)c(C(=O)O)c1 2235951459 FFJIGHORRRVTSI-GXSJLCMTSA-N 278.264 0.690 10 10 CCCE C[C@H](N)c1ccc(N2CC3(CCC(=O)N3)C2)cc1O 2229699597 OJDVHZPARXBZOD-VIFPVBQESA-N 261.325 0.881 10 10 CCCE CCC(CO)(CO)C(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-] 2253579076 UFXMIBCXFWJSCA-RKDXNWHRSA-N 256.306 0.715 10 10 CCCE C[C@H]1[C@H](O)CCN1c1cc2c(cc1F)[C@H](O)C(=O)N2 2273251554 YTZZQDZSDRXBIZ-GHGOGRRBSA-N 266.272 0.771 10 10 CCCE COC(=O)N[C@H](C)CNC(=O)c1ccc(O)c(O)c1 2274579050 UNYJZQMNJYHSME-SSDOTTSWSA-N 268.269 0.572 10 10 CCCE COc1ccc(N2CC[C@H](O)[C@H](O)CC2)c([N+](=O)[O-])c1 2284563295 KQHYYEOVAGNHAS-BETUJISGSA-N 282.296 0.925 10 10 CCCE CC(C)S(=O)(=O)N(C)Nc1ncc(C(=O)O)s1 2301528302 JYEIXIIAGWERTJ-UHFFFAOYSA-N 279.343 0.838 10 10 CCCE CCN1C(=O)C(=Cc2ccoc2)C(=O)NC1=S 2313513056 KXJHGMDAYKEQIY-UHFFFAOYSA-N 250.279 0.926 10 10 CCCE N=c1[nH]c(N)c(Cl)c(=NCc2ccccc2O)[nH]1 2315797284 YXSDMBZDNYEQRQ-UHFFFAOYSA-N 265.704 0.864 10 10 CCCE CCS(=O)(=O)N(C)NCc1ccc(F)c(F)c1O 2317494196 RYIRWTLOMDDWRD-UHFFFAOYSA-N 280.296 0.957 10 10 CCCE COC[C@@H](CN)N1CCc2cc(O)c(O)cc2C1 2318665134 IRLBQXYKILHLPH-LLVKDONJSA-N 252.314 0.430 10 10 CCCE C[C@H](O)c1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)c(Cl)c1 2332915997 KBSKVSHGOCGCFK-LDICSKNTSA-N 287.743 0.296 10 10 CCCE Nc1ccc(OC[C@H](O)CN2C[C@@H]3C[C@H](O)[C@H]2C3)cc1 2355626471 WVJYGJNSLKCICH-BTQDYEIMSA-N 278.352 0.464 10 10 CCCE C[C@H](O)CN(CCO)CCOc1ccc(N)cc1 310888116 XNSOJXDITNXRCN-NSHDSACASA-N 254.330 0.323 10 10 CCCE C[C@H](CC[S@](C)=O)Nc1c(N)cccc1C(N)=O 129541200 KQZNYYGATBXMAB-NTCNTBNZSA-N 269.370 0.937 10 10 CCCE O[C@H]1CCc2cc(N3CC[C@@H]4C[C@H]3[C@@H](O)[C@@H]4O)ccc21 2357587069 IBPVDULDMUNPQO-NVAJDRRBSA-N 275.348 0.987 10 10 CCCE C[C@@H](NC(N)=O)C(=O)NCc1ccc(N(C)C)c(F)c1 123469429 MCMPCRNNZNQLLG-MRVPVSSYSA-N 282.319 0.565 10 10 CCCE Nc1ccc(OCC(=O)Nc2nnns2)cc1 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CN1CC[C@@H](C(=O)NCc2ccccc2O)S1(=O)=O 843833458 SLUQOSGOIFKMSM-NSHDSACASA-N 284.337 0.042 10 10 CCCE CC(C)(CN)OCCNC(=O)Cc1ccc(N)cc1 2278403559 GMRIKOGEKVYDOE-UHFFFAOYSA-N 265.357 0.681 10 10 CCCE COc1cccc(CNC(=O)N[C@H](C)[C@@H](C)N)c1O 842003503 IFBRTWPHPWIPEY-RKDXNWHRSA-N 267.329 0.936 10 10 CCCE CCOc1ccc(O)c(CN(C)C[C@@H](O)CN)c1 841091770 FVIUBPMLTMRCSP-NSHDSACASA-N 254.330 0.542 10 10 CCCE CN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@H]1C[C@@H](C(N)=O)C1 863358291 XIJACQCMYCWLFP-FZTZLREASA-N 290.319 0.833 10 10 CCCE NC(=O)[C@H]1C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1 862818077 FHGOYDXMIAIFLB-FGVUVFCOSA-N 276.292 0.491 10 10 CCCE CN(Cc1ccc(O)cc1O)[C@@]1(C(=O)O)CCOC1 388955628 ZWSSITGVSHSYPN-ZDUSSCGKSA-N 267.281 0.773 10 10 CCCE O=C(O)[C@@H](c1ccc(O)cc1O)N1C(=O)C=CC1=O 83457869 DMMVGAMKTVDERR-LLVKDONJSA-N 263.205 0.149 10 10 CCCE Nc1ccc(CCC(=O)N2C[C@@H](O)C[C@@H]2CO)cc1 698168713 OQKBYCVCSQMWOI-OLZOCXBDSA-N 264.325 0.156 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3C[C@H]4CCO[C@H]4C3)ccc21 2115400251 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O=C(NCc1ccccc1O)[C@@H]1CC[C@H](C(=O)O)O1 222831835 BETQSEAXZFLLOT-WDEREUQCSA-N 265.265 0.641 10 10 CCCE C[C@H](CCO)N(C)c1ccc2c(c1)NC(=O)[C@H]2O 1917100479 JZFIHZVBZDEUCU-PELKAZGASA-N 250.298 0.879 10 10 CCCE CC1(NC(=O)CCOc2ccc(N)cc2)CS(=O)(=O)C1 1918395562 OIMQUKHXRYIKOZ-UHFFFAOYSA-N 298.364 0.341 10 10 CCCE CNCc1ccc(N2C[C@@H]3C(C(N)=O)[C@H]3C2)cc1C 2136602422 CYNARKSYGNTJFB-STQMWFEESA-N 259.353 0.882 10 10 CCCE Cn1cc(CCNCc2ccc(O)c(O)c2O)cn1 226751810 OPFTYTOMUFJJNA-UHFFFAOYSA-N 263.297 0.869 10 10 CCCE CC(=O)N[C@H](C(=O)NCc1c(O)cccc1O)C(C)C 1597569623 QHOABFQKYJFUNH-ZDUSSCGKSA-N 280.324 0.875 10 10 CCCE CN[C@H]1COC[C@@H]1c1nc(-c2ccc(O)c(O)c2)no1 234498112 YSWNYNGYCPOSGJ-IUCAKERBSA-N 277.280 0.850 10 10 CCCE Nc1cc2c(cc1N1C[C@@H]3C[C@]3(N)C1)NC(=O)CO2 1876218289 UNJOOCMUEVJKAX-CPFSXVBKSA-N 260.297 0.137 10 10 CCCE Nc1ccc(CC(=O)N2C[C@H]3OCC[C@@H]3C2=O)cc1 1876419145 BTFDHRUHHDTPFA-NWDGAFQWSA-N 260.293 0.585 10 10 CCCE COC(=O)CCN(CC(=O)O)Cc1cc(F)ccc1O 883519734 AHQGSSFRWPDDBT-UHFFFAOYSA-N 285.271 0.981 10 10 CCCE CO[C@@H]1CNCC[C@H]1C(=O)N(C)Cc1ccccc1O 1964327758 FQUCVEPYZCUUFE-TZMCWYRMSA-N 278.352 0.975 10 10 CCCE O=C(O)CCOCCNC(=O)Cc1ccc(O)c(O)c1 2144019403 NMAIFHSPPIAXAM-UHFFFAOYSA-N 283.280 0.248 10 10 CCCE O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCC(=O)NC1=O 1179689086 CLZZWSLICYXXTC-OSOUNJMWSA-N 290.275 0.032 10 10 CCCE Nc1ccc(OCCN2C[C@@H]3CS(=O)(=O)C[C@H]3C2)cc1 2144171636 ZJZZXWZZEVSLMN-VXGBXAGGSA-N 296.392 0.624 10 10 CCCE CN(C)c1ccc([C@H](N)[C@@H](O)[C@@H]2COCCO2)cc1 1889140875 JNAPBTHMXNCAFP-IHRRRGAJSA-N 266.341 0.529 10 10 CCCE NC1(CC(=O)NCCc2ccc(O)c(O)c2)CC1 1968739088 KSHOTKDVHORWJA-UHFFFAOYSA-N 250.298 0.638 10 10 CCCE O=C(CO[C@@H]1CCNC1)NCCc1ccc(O)c(O)c1 1968739989 ZNLNCWSEBMYYKI-LLVKDONJSA-N 280.324 0.135 10 10 CCCE C[C@@]1(CNC(=O)COc2ccc(N)cc2)COCCO1 2145378288 XJIMYXCASFFORC-CQSZACIVSA-N 280.324 0.569 10 10 CCCE COCCC[C@H](NC(=O)c1cc(O)nc(O)c1)C(=O)O 158563384 BOIUCIRLUGSSFX-QMMMGPOBSA-N 284.268 0.102 10 10 CCCE O=[N+]([O-])c1ccc(N2C[C@@H]3OCCO[C@@H]3C2)cc1CO 2149772932 UIKXHKSPVRRXHJ-BETUJISGSA-N 280.280 0.691 10 10 CCCE NC(=O)CN(Cc1ccc(N)cc1)c1cnccn1 37672383 YGVWYJIECFTTAF-UHFFFAOYSA-N 257.297 0.551 10 10 CCCE Nc1cc2c(cc1N1CCS(=O)CC1)NC(=O)CO2 49692548 MBMOHMCZXFLVEU-UHFFFAOYSA-N 281.337 0.168 10 10 CCCE NC(=O)CN(Cc1ccc(N)cc1)C(=O)CC1CC1 49728768 OTOWSPFPAFPYPB-UHFFFAOYSA-N 261.325 0.883 10 10 CCCE C[C@H]1OCCO[C@H]1CNCc1cccc(O)c1O 2027192571 BPDJJDRUOUJRKC-SKDRFNHKSA-N 253.298 0.991 10 10 CCCE CCc1cccc(CN[C@H]2CN(C)C[C@@H]2O)c1O 2029871632 WGRKYHFKUIPZHC-STQMWFEESA-N 250.342 0.719 10 10 CCCE N[C@@H]1COCC[C@@H]1NCCc1ccc(O)c(O)c1 2031454134 LOWCZNGTIKRYPC-MNOVXSKESA-N 252.314 0.346 10 10 CCCE COc1ccc(CNC[C@H]2COC[C@H]2O)c(O)c1 2036566563 ALMFPNOWCBARBO-GXFFZTMASA-N 253.298 0.498 10 10 CCCE C[C@@H]([C@@H](C)O)N(CC(N)=O)Cc1ccc(N)cc1 2038073302 AJXWCZGMPPCZMU-VHSXEESVSA-N 251.330 0.325 10 10 CCCE CO[C@@H]1CN(C(=O)c2cccc(O)c2O)[C@H]2COC[C@H]12 2158354070 QIPXTSHRCCGJFP-JBLDHEPKSA-N 279.292 0.584 10 10 CCCE Nc1ccc(OCC(=O)OCCCS(=O)(=O)O)cc1 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CCN1CCCN(C(=O)c2cc(O)c(O)c(O)c2)CC1 2188868171 NCNDQQRDWDWGFF-UHFFFAOYSA-N 280.324 0.971 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CCC[C@H]1C1(O)CC1 2188868570 SWSLKISAVFTNQP-NSHDSACASA-N 279.292 0.933 10 10 CCCE O=C(NC12CCC(CO)(CC1)C2)c1cc(O)nc(O)c1 2189317956 NVQGOXYWVOELCX-UHFFFAOYSA-N 278.308 0.918 10 10 CCCE C[C@H](N)c1ccc(N2CC3(C2)OC[C@H](O)[C@H]3O)c(Cl)c1 2183628309 XQDAVEGTJLCNKQ-AQUOVQTQSA-N 298.770 0.671 10 10 CCCE CN(CCC(=O)NC(N)=O)c1ccc(CN)cc1 2043032855 WVYODSUQYLOVLM-UHFFFAOYSA-N 250.302 0.167 10 10 CCCE NC(=O)c1cccc(N)c1N[C@H](CCO)C(F)F 2046543708 MEURNEZGVJRVOB-MRVPVSSYSA-N 259.256 0.796 10 10 CCCE CC(C)([C@@H](NCCCN=[N+]=[N-])C(=O)O)S(C)(=O)=O 2047895441 SRWGFQJXQIJVEX-ZETCQYMHSA-N 278.334 0.553 10 10 CCCE C[C@@H]1C[C@H]1N(CCN)C(=O)c1ccc(O)c(O)c1 2048214952 YVOJTEMPWLCTPN-PSASIEDQSA-N 250.298 0.907 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)[C@H]2CC[C@@H](C3CC3)N2)C1 2049783766 AMWWSJPJIUOMNE-PDEGPIFNSA-N 250.342 0.783 10 10 CCCE Nc1ccc(OCCC(=O)N[C@H]2COCC[C@@H]2N)cc1 2191677254 BOFHDOKZWCFMPU-STQMWFEESA-N 279.340 0.270 10 10 CCCE Nc1ccc(OCCC(=O)N[C@@H]2[C@H]3CCCN[C@@H]32)cc1 2191673674 GEKZTRUFUAVVJQ-AEGPPILISA-N 275.352 0.904 10 10 CCCE Nc1ccc(CC(=O)N2CCO[C@@H]3CCNC[C@@H]32)cc1 2191896595 DCGLTAGCKUDJIA-UONOGXRCSA-N 275.352 0.401 10 10 CCCE C[C@H](N)c1ccc(N2CC[C@@H](O)[C@H](O)C2)cc1O 2068369523 KHLVDBVYUUGDTN-RLCGTCKNSA-N 252.314 0.344 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CC[C@@H](CO)C1 2068578897 VAHMDJWEPRGJSH-SSDOTTSWSA-N 253.254 0.258 10 10 CCCE Cc1cc(CN)ccc1N1CC[C@@H](N2CC(O)C2)C1 2102527707 MWARXSRWEUUDOH-CYBMUJFWSA-N 261.369 0.709 10 10 CCCE NN[C@@H](c1ccc(N2CCCC2)cc1)c1cnn[nH]1 2106823428 PAHVFWIHWHOBSM-ZDUSSCGKSA-N 258.329 0.958 10 10 CCCE COC(=O)c1cccc(N)c1N[C@@H]1COC[C@H]1CO 2108746814 NCQAMHMABPFGDI-LDYMZIIASA-N 266.297 0.475 10 10 CCCE NCc1ccc(N2C[C@]3(CO)CC[C@@]3(CO)C2)cc1 2089506619 FTJGRGXBAIPAIK-GJZGRUSLSA-N 262.353 0.717 10 10 CCCE COc1ccc(N2CC[C@](CO)(CCO)C2)c(N)c1 2097026906 IUWWTLCYMJGXRY-AWEZNQCLSA-N 266.341 0.849 10 10 CCCE C[C@@H](N)c1ccc(N(C)[C@@H]2CC(=O)NC2=O)c(F)c1 2114738456 VYQIARSQXMTEOB-RDDDGLTNSA-N 265.288 0.697 10 10 CCCE CO[C@H]1[C@@H](C(=O)O)N(Cc2ccc(N)cc2)C[C@H]1OC 2205458716 FTSSRGUJDLPKAV-FRRDWIJNSA-N 280.324 0.568 10 10 CCCE N[C@@H]1C[C@@H](F)CN(C(=O)c2cccc(O)c2O)C1 2219149716 VTCQWNBIGNTJEP-HTQZYQBOSA-N 254.261 0.609 10 10 CCCE Cn1cccc(NC(=O)c2cc(O)c(O)c(O)c2)c1=O 2233010231 SGCKBLBTMONWSS-UHFFFAOYSA-N 276.248 0.754 10 10 CCCE C[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CCCN1 2224773441 JUBIIKMBLGTTNV-SNVBAGLBSA-N 264.325 0.851 10 10 CCCE COc1cc(N2CCOC[C@H]2CO)cc(OC)c1OC 2235136090 XDHLALGMKKSMDM-LLVKDONJSA-N 283.324 0.910 10 10 CCCE Cc1c[nH]c(=NCCOc2ccc(N)cc2)[nH]c1=N 2225137580 MVRBRERTEIMUMB-UHFFFAOYSA-N 259.313 0.693 10 10 CCCE COc1ccc(N2C[C@@H](CO)[C@H](CCO)C2)c(CN)c1 2235957002 DHKCIJOHSMMELQ-YPMHNXCESA-N 280.368 0.581 10 10 CCCE CNCc1cc(OC)ccc1N1CC[C@H](C(=O)NC)C1 2235969876 JVBGHJDDNXYLEU-NSHDSACASA-N 277.368 0.987 10 10 CCCE NCc1ccc(N2C[C@H](CO)C[C@@H](CO)C2)c(F)c1F 2236647271 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CCCE COC[C@](C)(CC(=O)O)NC(=O)Cc1ccc(N)cc1 2157968503 ZIMXIBLYHRFHAW-AWEZNQCLSA-N 280.324 0.807 10 10 CCCE CN[C@@H](C)c1ccc(N2CCC(O)(CO)CC2)cc1O 313804660 GQSYKMBYCPPINB-NSHDSACASA-N 280.368 0.996 10 10 CCCE CNCc1ccc(N2C[C@H](O)[C@@H](CO)C2)cc1C 317116566 QHGKPNNVNIEWFZ-OCCSQVGLSA-N 250.342 0.504 10 10 CCCE CN(c1ccc2c(c1)NC(=O)[C@@H]2N)[C@@H]1CCCNC1=O 2171079758 SUBPAWLSXFNSPB-VXGBXAGGSA-N 274.324 0.353 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@H]2C[C@H]3C[C@H]2C[C@@H]3O)cc1 2160696350 LNBORYCXUDLDQI-XCCSTKFXSA-N 296.392 0.848 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@@]12CNC[C@@H]1COC2 2160990003 ACXQDBBZPOYGKY-IUODEOHRSA-N 276.336 0.587 10 10 CCCE [N-]=[N+]=NCCNC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 701296402 HQQNSCJIESGZBH-LURJTMIESA-N 279.222 0.824 10 10 CCCE CN(C(=O)C[S@@](=O)[C@H]1CCOC1)c1ccc(N)cc1 703103290 OAQCRJMXZZSFSR-HXPMCKFVSA-N 282.365 0.769 10 10 CCCE CO[C@@]1(C(=O)O)CCN(Cc2ccc(O)cc2O)C1 703757546 FLWXGZXVFPCKRA-ZDUSSCGKSA-N 267.281 0.773 10 10 CCCE Nc1ccc(CNc2cccc(S(N)(=O)=O)n2)cc1 711601396 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Nc1cccc(F)c1N[C@@H]1C[C@H]2C[C@H]1[C@@H](O)[C@H]2O 2047618586 GSOZSXUJVZZWRT-DQFXDBGQSA-N 252.289 0.950 10 10 CCCE CN1CCO[C@@H]2CCN(Cc3cc(N)ccc3O)C[C@@H]21 2185597563 SHFUXTBXLYHKGC-DZGCQCFKSA-N 277.368 0.879 10 10 CCCE CNCc1ccc(N2CCO[C@@H]([C@H](C)O)C2)cc1 2053847879 QETDJMHSCWUPKQ-SMDDNHRTSA-N 250.342 0.992 10 10 CCCE Nc1cc2c(cc1N1C[C@H](N)[C@H]3COC[C@H]31)OCCO2 2191569706 AOTAUVVJWUDPAS-UBHAPETDSA-N 277.324 0.202 10 10 CCCE C[C@@H](NCc1ccc(O)c(O)c1)c1nc(=O)o[nH]1 2057683700 GNOIWJPFRCIMHT-ZCFIWIBFSA-N 251.242 0.625 10 10 CCCE C[C@H](N)CN(C)C(=O)c1ccn(-c2ccc(N)cc2)n1 2191679745 ORYWIUTUTCKXDA-JTQLQIEISA-N 273.340 0.874 10 10 CCCE CNCCOCCN(C)C(=O)CCc1ccc(N)cc1 2191711519 DTEFDLANPVEANM-UHFFFAOYSA-N 279.384 0.896 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CCOC[C@@H]1CF 2062389074 UJLAILGOZSQPIB-VIFPVBQESA-N 255.245 0.908 10 10 CCCE CCCC1(NC(=O)c2cccc(O)c2O)CNC1 2070586684 RVUYIFCIUAQROZ-UHFFFAOYSA-N 250.298 0.970 10 10 CCCE Nc1ccc(OCCC(=O)N[C@H]2CNOC2)cc1 2071722238 DCHXSSZOHGYFJA-JTQLQIEISA-N 251.286 0.057 10 10 CCCE CN[C@@H](c1ccc(N(C)C)cc1)[C@@H](O)c1nnnn1C 2196239713 OFRKHRYLUVPMGG-NWDGAFQWSA-N 276.344 0.270 10 10 CCCE C[C@@]1(O)CN(Cc2cc(N)ccc2O)CC[C@H]1O 2081715394 IASIPWNQZMNZLF-CHWSQXEVSA-N 252.314 0.292 10 10 CCCE NC[C@@]1(CO)COCCN1c1ccc2c(c1)CCO2 2106382402 JEHZJUWQYQDCOZ-CQSZACIVSA-N 264.325 0.148 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@@H]3C[C@]3(CO)C2)cc1 2090114772 YTUBUPMFXDMVKC-WCQYABFASA-N 282.365 0.413 10 10 CCCE COc1ccc(O)c(CN2C[C@H](OC)C[C@H]2CN)c1 2090739854 UIBQHSXPCCCLHC-WCQYABFASA-N 266.341 0.949 10 10 CCCE CS(=O)(=O)[C@@H]1CCC[C@@]1(O)[C@H](N)c1ccccc1O 2091865236 YILUCGOOPMLGNU-UPJWGTAASA-N 285.365 0.720 10 10 CCCE C[C@H](c1ccc(O)cc1O)N1CC(=O)NC[C@H]1C(=O)O 2201034722 ADPQZTFETOZVAI-XCBNKYQSSA-N 280.280 0.044 10 10 CCCE CNCc1ccc(N2C[C@H](O)[C@@H](N(C)C)C2)cc1OC 2204552294 AAJWUWUOQINCCZ-KBPBESRZSA-N 279.384 0.526 10 10 CCCE COc1ccc(N2CCOC[C@@H](O)C2)c(OC)c1 2219644634 GCRLXJNBUMJSSM-JTQLQIEISA-N 253.298 0.901 10 10 CCCE C[C@]1(O)C[C@@H]2[C@@H]1CCN2c1ccc2c(c1)NC(=O)[C@@H]2N 2233784666 ZZNKXZIFCJZQCG-ZGFBFQLVSA-N 273.336 0.988 10 10 CCCE CN[C@@H](C)c1ccc(N2C[C@H](O)[C@H](O)C2)c(C)c1 2223978605 QVGYKIBSTHQKGA-LEWSCRJBSA-N 250.342 0.817 10 10 CCCE O[C@@H]1CCC[C@H](NCc2ccc3c(c2)CCO3)[C@H]1O 2224349897 RSLXIUZSEQPQLP-GZBFAFLISA-N 263.337 0.985 10 10 CCCE COc1cc(C(=O)N[C@H]2CNC[C@@H](F)C2)cc(OC)n1 2234651653 QCWOAOVFNAIXJB-VHSXEESVSA-N 283.303 0.529 10 10 CCCE O[C@H]1[C@H]2C[C@H](CN(c3ccc4c(c3)OCCO4)C2)[C@@H]1O 2235103585 KTRHLJIKTCCBOA-OWLDWWDNSA-N 277.320 0.636 10 10 CCCE COc1ccc(N2CC[C@H]3C[C@H]2[C@H](O)[C@@H]3O)c(CO)c1 2235956638 YQHNHZWOYGEPEZ-JVOAXRGISA-N 279.336 0.508 10 10 CCCE COc1ccc(N2C[C@@H]3C[C@H](C2)[C@@H](O)[C@H]3O)c(CN)c1 2235975348 SICAQJRJQKIRJA-HGSJOUDDSA-N 278.352 0.332 10 10 CCCE CNC(=O)N1CCN(c2ccc(OC)cc2CO)CC1 2236000261 SKYQLTRIOAIPDE-UHFFFAOYSA-N 279.340 0.649 10 10 CCCE Cc1cc(N2C[C@H]3COC[C@]3(CO)C2)ccc1CN 2226162519 DAVIDCMIOBUJKA-DZGCQCFKSA-N 262.353 0.899 10 10 CCCE O[C@@H]1CN(c2ccc3c(c2)OCCO3)[C@@H]2COC[C@H]12 2226762394 OQYNCPLZLWGULI-QJPTWQEYSA-N 263.293 0.654 10 10 CCCE COc1ccc(N2CC(n3cnnc3)C2)c(CO)c1 2227712372 YQVMVOYRDPUMHZ-UHFFFAOYSA-N 260.297 0.840 10 10 CCCE Cc1cc(N2C[C@@H](CO)C[C@@H](CO)C2)ccc1CN 2228407711 YNXNWNAKNZHFRP-BETUJISGSA-N 264.369 0.881 10 10 CCCE CO[C@@H](C(=O)NCc1cnc(SC)s1)C1CNC1 2257074177 IAJPHKCHEZDXMH-SECBINFHSA-N 287.410 0.716 10 10 CCCE CN(C(=O)C[S@](=O)CC1COC1)c1ccc(N)cc1 2271332955 XSVLJCSLROLFCP-LJQANCHMSA-N 282.365 0.627 10 10 CCCE Cc1nsc(CNC(=O)c2cc(O)c(O)c(O)c2)n1 2265234198 DNJDOWHOEUWHNE-UHFFFAOYSA-N 281.293 0.893 10 10 CCCE NCc1ccc(N2C[C@@H]3OC[C@H](CO)O[C@H]3C2)c(F)c1 2279776082 SDHFMUTWZHDBCD-BPNCWPANSA-N 282.315 0.249 10 10 CCCE Nc1cc2c(cc1N1CC[C@H](O)[C@@H](O)CC1)OCCO2 2284564380 XVLVQENULNOQND-RYUDHWBXSA-N 280.324 0.362 10 10 CCCE CN(Nc1ncc(C(=O)O)s1)S(=O)(=O)C1CC1 2301516754 NTPCISJLEVNWOQ-UHFFFAOYSA-N 277.327 0.592 10 10 CCCE Cc1cc(N2C[C@@H](O)[C@@H](O)[C@H]2CF)ccc1[C@@H](C)N 2334468598 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O=C(/C=C\c1ccc(O)c(O)c1)N1C[C@@H]2C[C@H]1C[S@]2=O 846559294 HQFOPCZVJIUBOF-FPRKAXCSSA-N 293.344 0.843 10 10 CCCE CO[C@](C)(C(=O)OCC(=O)C(C)=O)C(=O)OC(C)(C)C 850127812 ZVWVHKHRAWWAGQ-CYBMUJFWSA-N 288.296 0.435 10 10 CCCE COC(=O)[C@@H]1CN(C(=O)c2cccc(O)c2O)C[C@@H](C)O1 862866430 KBQRZBYSLMUCOT-KCJUWKMLSA-N 295.291 0.500 10 10 CCCE CN1Cc2cc(O)c(O)cc2[C@H](N2CCNCC2)C1 71491375 BNEWZHGARZALLI-GFCCVEGCSA-N 263.341 0.490 10 10 CCCE Cc1c([C@@H](N)CO)c(O)c([N+](=O)[O-])c(C)c1[N+](=O)[O-] 72199455 BCMKLTKYWLPGKW-LURJTMIESA-N 271.229 0.818 10 10 CCCE COc1cc2c(cc1OC)N(C[C@H](O)CO)C[C@H](C)N2 76928137 SVISTKXSZFATRT-UWVGGRQHSA-N 282.340 0.677 10 10 CCCE Nc1ccc(CC(=O)NCC(F)(F)C(=O)O)cc1 386475583 HFULZLDGOLSECW-UHFFFAOYSA-N 258.224 0.647 10 10 CCCE CN(C)CCNC(=O)[C@@H](N)c1cccc(F)c1O 83409771 UTFAIOHIUAGMES-JTQLQIEISA-N 255.293 0.209 10 10 CCCE CN(C(=O)[C@H]1CC[C@H](C(=O)O)O1)c1ccc(N)cc1 702124632 HOLLJUBTCAJUTI-GHMZBOCLSA-N 264.281 0.864 10 10 CCCE CN1CCN(C(=O)C2=CC[C@@H](N)C2)c2cccnc21 638118652 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[N-]=[N+]=NCCN[C@]1(C(=O)O)CCO[C@]12CCOC2 1912153754 DLQXNOPTZHUSEH-UWVGGRQHSA-N 256.262 0.289 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCN(S(=O)(=O)c2ncc[nH]2)C1 1912164951 ZJYUEJRIUMEONS-ZETCQYMHSA-N 256.291 0.731 10 10 CCCE CN(CCN=[N+]=[N-])C(=O)CN1C(=O)NC(C)(C)C1=O 1912148229 QUJVHWASJQWTEW-UHFFFAOYSA-N 268.277 0.086 10 10 CCCE C[C@@H](C(=O)Nc1ccc(N)cc1)N1CCNC(=O)[C@H]1C 110654236 FCRFSGFSVURNMU-ZJUUUORDSA-N 276.340 0.416 10 10 CCCE CNC(=O)[C@@H](C)N(C)c1c(F)cc(CN)cc1F 1916795162 NOUAGGSZZSPIEZ-SSDOTTSWSA-N 257.284 0.994 10 10 CCCE NC(=O)N=Nc1ccc(C(=O)N2C[C@@H](O)[C@H](CO)C2)cc1 1299171372 XWHXUKAIMDIANM-GXSJLCMTSA-N 292.295 0.274 10 10 CCCE CC[C@H](C)[C@@H](CN)NC(=O)c1cc(O)c(O)c(O)c1 2136528179 GKMBOCVIIQBRRT-IONNQARKSA-N 268.313 0.907 10 10 CCCE COC(=O)c1cc(C(=O)NCc2cc(O)ccc2O)no1 1558174946 DNOWKVSEMFKANX-UHFFFAOYSA-N 292.247 0.802 10 10 CCCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C\C(=O)N(C)C 1633818996 NMBNACDRJHTXDK-JYESYGNLSA-N 292.335 0.789 10 10 CCCE Cn1cnc(CNC(=O)Cc2ccc(O)c(O)c2)c1 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CCCS(=O)(=O)N[C@H](C)C(=O)NCCN=[N+]=[N-] 701318182 IDRAJNKXTZBJNW-SSDOTTSWSA-N 263.323 0.131 10 10 CCCE O=C(c1cccc(O)c1O)N1CCOC[C@@H]1CCO 702167120 UWGGEIOIYYIQHP-VIFPVBQESA-N 267.281 0.321 10 10 CCCE CCN[C@H](C)c1ccc(N2CC(O)(CO)C2)cc1O 2115313305 GBEFXWOLUDMMNR-SNVBAGLBSA-N 266.341 0.606 10 10 CCCE CC(C)(O)[C@@H]1CN(Cc2cc(N)ccc2O)CCO1 2117520273 KAMNWHPYSJDKHV-ZDUSSCGKSA-N 266.341 0.946 10 10 CCCE O=C(C(=O)N1Cc2cccc(O)c2C1)N1CCCC1 1329768162 RYZVVBDXZQERDK-UHFFFAOYSA-N 260.293 0.857 10 10 CCCE Cc1cc(N2C[C@@H]3C[C@H](C2)[C@@H](O)[C@@H]3O)ccc1CN 2126150985 RBYNSBOKAJYADR-AYRXBEOTSA-N 262.353 0.632 10 10 CCCE N[C@@H]1CN(c2ccc3c(c2)OCCO3)CC[C@H]1CO 2122376079 AXUPWWWKHMCCQP-CMPLNLGQSA-N 264.325 0.604 10 10 CCCE COCCN(C)C[C@@H](O)CN1CCC[C@@H]1CN=[N+]=[N-] 2123021668 WRCLPEAWNJXPBS-VXGBXAGGSA-N 271.365 0.700 10 10 CCCE CC(=CCNC(=O)c1cccc(O)c1O)C(=O)O 1912046049 YKRMPVISAYPLEW-UHFFFAOYSA-N 251.238 0.859 10 10 CCCE Cc1ccc(S(=O)(=O)N2CC[C@@H](N=[N+]=[N-])C2)nn1 1912186042 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C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@]1(O)CCOC1 1567467676 OJMSMPIOIFNQSE-YMTOWFKASA-N 281.308 0.296 10 10 CCCE NC(=O)NCCCCC(=O)NCc1c(O)cccc1F 1635360251 GCRWHJLNLNNOEF-UHFFFAOYSA-N 283.303 0.986 10 10 CCCE Cc1cccc(CNC(=O)c2nn(C)cc2N)c1O 2139750093 CSSGRSKXRLNXGW-UHFFFAOYSA-N 260.297 0.946 10 10 CCCE CC1(O)CCN(C(=O)c2cc(O)nc(O)c2)CC1 160652726 VMZTYJMULAGDNF-UHFFFAOYSA-N 252.270 0.480 10 10 CCCE Nc1ccc(N2C[C@@H]3CCS(=O)(=O)[C@H]3C2)cc1 1941412359 PXOPXAGABCRRCK-CABZTGNLSA-N 252.339 0.892 10 10 CCCE C[C@H]1CN(C)CCN1CC(=O)N(C)c1ccc(N)cc1 235574083 PZZRJGMXJONNKI-LBPRGKRZSA-N 276.384 0.868 10 10 CCCE CN[C@H](C)CNS(=O)(=O)CCOc1ccc(N)cc1 1876400829 FMOCKGDZDGUQLC-SNVBAGLBSA-N 287.385 0.175 10 10 CCCE C[C@@H]1CNCC[C@H]1NS(=O)(=O)Cc1ccc(N)cc1 1876412019 XOCNWGZJYBZZQO-ZWNOBZJWSA-N 283.397 0.686 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@H]2CCN[C@H]3C[C@H]32)cc1 1876416104 RFZXTRPDBZHAAT-XQQFMLRXSA-N 281.381 0.439 10 10 CCCE Nc1ccc(OCCC(=O)N2CC3(CNC3)C2)cc1 1876488876 KLMRGJHEBBWOPW-UHFFFAOYSA-N 261.325 0.470 10 10 CCCE O=C(O)[C@@H]1CN(Cc2ccccc2O)CC[C@H]1C(=O)O 1963603789 IEHMTRXOGPPBQN-GHMZBOCLSA-N 279.292 1.000 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)C12CC(CO1)C2 1964863266 AZLUSIBIKCKXTN-UHFFFAOYSA-N 263.293 0.936 10 10 CCCE N[C@@H]1CC[C@H]2CN(C(=O)Cc3ccc(O)c(O)c3)C[C@@H]12 1969137866 JTVITTNIQDGXOG-QJPTWQEYSA-N 276.336 0.836 10 10 CCCE N[C@@]1(C(=O)NCc2ccccc2O)CCCOC1 1969153660 BIPIZQNCHHVFMU-ZDUSSCGKSA-N 250.298 0.516 10 10 CCCE C[C@@H]1C[C@@H](NC(=O)Cc2ccc(O)c(O)c2)CCN1 1971325314 SXXDPEXPBZDYAL-KOLCDFICSA-N 264.325 0.897 10 10 CCCE CCNC(=O)NS(=O)(=O)CCOc1ccc(N)cc1 158761638 ZZHSIOCRXIGXFX-UHFFFAOYSA-N 287.341 0.297 10 10 CCCE CCNC(=O)[C@@H]1COCCN1c1ccc(CN)c(F)c1 159306974 SQAIGWZZUIUZGN-ZDUSSCGKSA-N 281.331 0.626 10 10 CCCE CC1(O)CCN(C[C@H](O)COc2ccc(N)cc2)CC1 160384177 FEIIDJKSGDDWBI-ZDUSSCGKSA-N 280.368 0.855 10 10 CCCE Cc1nnn(C)c1[C@H](N)[C@H](O)c1ccc(N(C)C)cc1 2151056422 RZIJBRXDHMUNJY-GXTWGEPZSA-N 275.356 0.923 10 10 CCCE C[C@@H](NCC(F)(F)C(N)=O)c1c(O)cccc1O 2029284349 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CCC1(O)CN(c2ccc3c(c2)NC(=O)[C@@H]3NC)C1 384091162 BUKOUGBGYVKUCZ-GFCCVEGCSA-N 261.325 0.860 10 10 CCCE C[C@@H](NC(=O)COc1ccc(N)cc1)c1ncon1 397900906 BORWZGUXHHJQRF-MRVPVSSYSA-N 262.269 0.908 10 10 CCCE NCc1cc(F)c(N2C[C@H]3C[C@H](O)[C@H](O)[C@H]2C3)c(F)c1 2173318809 YXOHELONVLOQMJ-PKINLEFWSA-N 284.306 0.744 10 10 CCCE CCOC(=O)[C@@H](NCCN=[N+]=[N-])c1cccn(C)c1=O 2177741428 GEYMHBFXFUSADP-JTQLQIEISA-N 279.300 0.889 10 10 CCCE COc1ccc(O)c(CNCC2[C@H]3CS(=O)(=O)C[C@H]23)c1 2174616281 YYSIKQMENHDMLD-CHWSQXEVSA-N 297.376 0.781 10 10 CCCE CN(Cc1cc(N)ccc1O)CC1[C@H]2CS(=O)(=O)C[C@H]12 2174645647 YSVAMZWOXXALHT-CHWSQXEVSA-N 296.392 0.697 10 10 CCCE NC[C@@]12CN(C(=O)c3cccc(O)c3O)C[C@@H]1CCO2 2175181136 GMHDKUBRVVRYSL-LKFCYVNXSA-N 278.308 0.288 10 10 CCCE Nc1ccc(OCC(=O)N[C@@H](CO)c2cscn2)cc1 2175675016 HRXZGSPUZWUKQS-NSHDSACASA-N 293.348 0.954 10 10 CCCE Nc1cccc(C(=O)O)c1N[C@@H]1CCn2nnnc2C1 2175885129 CWFXODILVSNJMY-SSDOTTSWSA-N 274.284 0.380 10 10 CCCE COC[C@@H]1C=CCN1c1cc2c(cc1N)OCC(=O)N2 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O=C(O)[C@H]1OCC[C@@H]1CNCc1ccc(O)c(O)c1 716291563 QQLVJFNBRQXRAH-SKDRFNHKSA-N 267.281 0.677 10 10 CCCE Cc1ccn(CC(=O)NCc2cccc(O)c2O)c(=O)c1 1153798030 IUMQSZPANGOTBS-UHFFFAOYSA-N 288.303 0.884 10 10 CCCE CO[C@H](CNC(=O)Cc1ccc(O)c(O)c1)[C@H]1CCOC1 1166210157 QVPKWTXGAIWBJS-SMDDNHRTSA-N 295.335 0.808 10 10 CCCE NC(=O)CCCCNC(=O)c1c(F)ccc(O)c1O 1161075355 ZBQIWDRKMPRPDH-UHFFFAOYSA-N 270.260 0.622 10 10 CCCE C[C@H](N)c1ccc(N(C)C[C@]2(O)CCOC2)cc1O 2129433606 ILEOVGIMXURJTA-IINYFYTJSA-N 266.341 1.000 10 10 CCCE CN[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)C1(C)C 2119857700 BZQVXVQXXAHWEQ-SECBINFHSA-N 265.313 0.705 10 10 CCCE N[C@H]1CCCc2cc(N3C[C@@H](O)C[C@H]3CO)ccc21 2128270461 GAYCPBZECAQQGL-YDHLFZDLSA-N 262.353 0.955 10 10 CCCE COc1ccc(O)c(CN2CC[C@H](N)[C@@H](CO)C2)c1 2122394264 VWJMSZDXXQIEFA-YPMHNXCESA-N 266.341 0.542 10 10 CCCE CC1(C)CC[C@H](CNC(=O)c2cc(O)nc(O)c2)N1 2131936375 SFCZQBOJPPGTDZ-SECBINFHSA-N 265.313 0.753 10 10 CCCE OCC(CO)CNCc1cc(Br)ccc1O 1984641762 ACMJJRJIWZVRBY-UHFFFAOYSA-N 290.157 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O=C(Cc1ccc(O)c(O)c1)N1CC[C@@H]2[C@H](CO)[C@@H]2C1 2149563464 MQKIRWLBRXWQBF-TUAOUCFPSA-N 277.320 0.727 10 10 CCCE CO[C@@H]1C[C@H](C(=O)O)N(C(=O)Cc2ccc(N)cc2)C1 40480463 WGOCNYRBILKFMZ-VXGBXAGGSA-N 278.308 0.512 10 10 CCCE O=c1cc2c(=O)oc3cc(O)c(O)oc3c2c(O)c1O 2037499194 UXHISTVMLJLECY-UHFFFAOYSA-N 278.172 0.722 10 10 CCCE CNC(=O)[C@H](C)NC(=O)CCOc1ccc(N)cc1 49095569 OJNGLELETAQHGO-VIFPVBQESA-N 265.313 0.288 10 10 CCCE CN(Cc1ccc(N)cc1)c1nccnc1C(N)=O 54399180 CJKQQODHXLJQIJ-UHFFFAOYSA-N 257.297 0.794 10 10 CCCE COC[C@H](N[C@@H](C)c1cc(C)ccc1O)C(N)=O 2034938858 FIPWPJJYYZIISZ-ONGXEEELSA-N 252.314 0.852 10 10 CCCE C[C@@H](N)CS(=O)(=O)Nc1ccc(O)cc1[N+](=O)[O-] 2035437239 HGFWUXFGUYZXRS-ZCFIWIBFSA-N 275.286 0.389 10 10 CCCE [N-]=[N+]=N[C@@H]1CCCN(S(=O)(=O)c2ncc[nH]2)C1 403661911 MEZDIHZITAJBKC-SSDOTTSWSA-N 256.291 0.873 10 10 CCCE CCNC(=O)C(C)(C)NC(=O)COc1ccc(N)cc1 312861862 UEAPBRCDXUHLQB-UHFFFAOYSA-N 279.340 0.679 10 10 CCCE CNCc1ccc(N2CCN(CCO)C(=O)C2)cc1Cl 2171076288 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C[C@H]1C[C@H](CNC(=O)c2cc(O)c(O)c(O)c2)CCN1 2188920675 XIZSISHVSVBKGC-DTWKUNHWSA-N 280.324 0.921 10 10 CCCE C[C@@H]1C[C@@]1(NC(=O)c1cc(O)nc(O)c1)C(=O)O 2058222654 NYDYFOCTNUZNQC-GCXOYZPQSA-N 252.226 0.086 10 10 CCCE Nc1ccc(OCC(=O)N2CC[C@@H]3CNC[C@@H]3C2)cc1 2191708803 ZYHYIHWZLCBKGH-VXGBXAGGSA-N 275.352 0.716 10 10 CCCE NCc1ccc(N2CC[C@@H](O)[C@@H](O)C2)c(F)c1F 2068378484 UYJLLIOIZGFWKE-ZJUUUORDSA-N 258.268 0.355 10 10 CCCE C[C@H](NC(=O)c1cc(O)c(O)c(O)c1)C1CNC1 2068621260 NDJNHAPMAFOBQT-LURJTMIESA-N 252.270 0.141 10 10 CCCE OC[C@@H]1COCC[C@@H]1NCc1ccc(O)cc1O 2072991831 TUQKBAGTOVEUFI-PWSUYJOCSA-N 253.298 0.585 10 10 CCCE NC(=O)c1coc(CNCc2ccc(O)cc2O)n1 2104348034 SHDILMAVCIKGRW-UHFFFAOYSA-N 263.253 0.475 10 10 CCCE COc1cccc(O)c1CN[C@H]1CC(=O)N(C)C1=O 2104440557 WUEOBGNJGFEAHF-VIFPVBQESA-N 264.281 0.248 10 10 CCCE C[C@@H](NCCc1ccc(O)c(O)c1)[C@H]1CNCCO1 2091758620 HEVWGVDNBQMVKF-QMTHXVAHSA-N 266.341 0.607 10 10 CCCE C[C@@H](N)c1ccc(N2C[C@H]3C[C@@]2(CO)CO3)cc1O 2094647789 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OTSFIIUHMATMIB-PWSUYJOCSA-N 293.367 0.130 10 10 CCCE NC(=O)NCCNCc1cccc(Br)c1O 132809472 UDNRXWKXTYRYFL-UHFFFAOYSA-N 288.145 0.913 10 10 CCCE CN(C)CCCNC(=O)COc1ccc(N)cc1 40294817 CBOWPHAWHMHUAI-UHFFFAOYSA-N 251.330 0.716 10 10 CCCE C[C@@H](O)CN(CCO)c1ccc(CN)c(F)c1F 381166148 AFANVFJNAKSJOP-MRVPVSSYSA-N 260.284 0.603 10 10 CCCE CNC(=O)[C@@]1(C)CCN(Cc2cc(N)ccc2O)C1 230894554 YVECFPJPRXPLNW-AWEZNQCLSA-N 263.341 0.932 10 10 CCCE NC(=O)CN(Cc1ccc(N)cc1)C(=O)N[C@H]1CCOC1 94889051 MQZQRUFJAJVROZ-LBPRGKRZSA-N 292.339 0.055 10 10 CCCE Nc1ccc(OC[C@H](O)CN2[C@H]3CC[C@H]2CC(O)C3)cc1 250008510 UUJNHQWHCRWWBW-KCQAQPDRSA-N 292.379 0.996 10 10 CCCE CCOC(=O)c1cccc(N)c1N[C@H]1COC[C@H]1CO 2165037131 SHQNPRLFKOJJHQ-SKDRFNHKSA-N 280.324 0.865 10 10 CCCE CN1CCc2cc([C@H](O)c3cnn(C)c3CN)ccc21 2163072706 ZBSMAZLWNZTTFN-HNNXBMFYSA-N 272.352 0.953 10 10 CCCE O=C1CCN(c2ccc3c(c2)CCO3)CCNCCN1 2162666753 LRJRGVMRORFFBX-UHFFFAOYSA-N 275.352 0.537 10 10 CCCE C[C@]1(CO)CCCCN1C(=O)c1cc(O)nc(O)c1 723047461 QXUPAMIYKAACIG-CYBMUJFWSA-N 266.297 0.870 10 10 CCCE NCCCOn1c(=O)c(=O)oc2ccc(Cl)cc21 821300342 VEYKSGOILDEYBH-UHFFFAOYSA-N 270.672 0.386 10 10 CCCE O=CN1CCC[C@H]1C(=O)NCc1c(O)cccc1F 928705030 CHLXAQVTXLILGF-NSHDSACASA-N 266.272 0.768 10 10 CCCE CS(=O)(=O)N1CCC([C@@H](O)Cc2ccc(N)cc2)CC1 696582114 CLKQJLKURDARPM-AWEZNQCLSA-N 298.408 0.844 10 10 CCCE NCc1ccc(N2CC[C@@](O)(C(N)=O)C2)cc1Cl 386175321 STNACUGWPOBIAP-LBPRGKRZSA-N 269.732 0.225 10 10 CCCE COC[C@H](N)c1nnc(-c2cccc(O)c2O)o1 83384263 GKZIHMMKYLYPAW-ZETCQYMHSA-N 251.242 0.794 10 10 CCCE N[C@H](C(=O)NC[C@H]1CCCO1)c1cc(F)ccc1O 83497049 NRTJHNSDMCOZHS-SKDRFNHKSA-N 268.288 0.826 10 10 CCCE Cn1nnnc1SC[C@H]1NCCc2cccc(O)c21 83660536 HFQMUHMIDAENSB-SECBINFHSA-N 277.353 0.895 10 10 CCCE C[C@H](CF)NS(=O)(=O)CCOc1ccc(N)cc1 702610594 GQHLPOHEOFLTLY-SECBINFHSA-N 276.333 0.925 10 10 CCCE C[C@@H](O)c1ccc(N2CCC(CO)(CO)C2)cc1O 694628489 ZYYQODCRPJVMOV-SNVBAGLBSA-N 267.325 0.627 10 10 CCCE Cc1c[nH]nc1CNC(=O)COc1ccc(N)cc1 716749446 RPMBWCMQIDSWDT-UHFFFAOYSA-N 260.297 0.996 10 10 CCCE Cc1ccc(C(=O)N=c2ccn(C)c(O)n2)c(O)c1O 1144329134 FNLQOCHHDZOCES-UHFFFAOYSA-N 275.264 0.586 10 10 CCCE CNC(=O)CN(CC(=O)NC)c1ccc([C@@H](C)O)cc1 720602129 MQRMMKYJSXOSFK-SNVBAGLBSA-N 279.340 0.038 10 10 CCCE Nc1ccc(OCCC(=O)NC[C@@H](O)C2CC2)cc1 71277152 NIZLRJDSAVXUMF-CYBMUJFWSA-N 264.325 0.925 10 10 CCCE CC[C@@](C)(O)CNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 87018420 NFYFLEZZMJLBRQ-IINYFYTJSA-N 282.340 0.245 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@H]1CC[C@@H](CN)O1 94569026 KQNDJDOIZWUYOX-WCQYABFASA-N 264.325 0.857 10 10 CCCE Cc1cc(=NCCOc2ccc(N)cc2)[nH]c(=N)[nH]1 2117200173 PBXNCKJXTFGCJZ-UHFFFAOYSA-N 259.313 0.693 10 10 CCCE NCc1ccc(N2CC3(C2)OC[C@H](O)[C@H]3O)c(Cl)c1 2127251635 MFEZCCOSKTVDJO-NWDGAFQWSA-N 284.743 0.110 10 10 CCCE NCc1ccc(N2C[C@@H]3OC[C@@H](CO)[C@@H]3C2)cc1F 2121589834 ABPXFSGQCOAHQM-OSMZGAPFSA-N 266.316 0.728 10 10 CCCE Cc1cc(CN)ccc1N1C[C@@H]2C[C@H](C1)[C@@H](O)[C@H]2O 2126150922 QSTJFCJAFJSNOH-CUFDPUGPSA-N 262.353 0.632 10 10 CCCE CCN(CCN=[N+]=[N-])[C@@H]1CS(=O)(=O)C[C@@H]1OC 2300530232 NMSMJLXVSPDLOQ-BDAKNGLRSA-N 262.335 0.431 10 10 CCCE [N-]=[N+]=N[C@H]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 1912194934 CBPAYMLVLSWQRI-ZETCQYMHSA-N 265.233 0.703 10 10 CCCE CCCNC(=O)NC(=O)CN(C)CCCN=[N+]=[N-] 1912186154 AGNQBKGIDWNQRU-UHFFFAOYSA-N 256.310 0.854 10 10 CCCE CON1CCN(c2ccc3c(c2)NC(=O)[C@@H]3O)CC1 1915551504 SFWGOBKASMSNSP-GFCCVEGCSA-N 263.297 0.356 10 10 CCCE COc1ccc(N2[C@H](C)CN(C)C(=O)[C@H]2CO)cc1 217094076 FRCYJCGTXAHQDE-ZWNOBZJWSA-N 264.325 0.723 10 10 CCCE COc1ccc(O)c([C@@H](C)N(CCO)CC(=O)O)c1 2136355228 NIGLOONSZWIFCS-SECBINFHSA-N 269.297 0.841 10 10 CCCE COc1ccc(O)c([C@H](C)NCCOCC(N)=O)c1 230059721 HHUKWRCCAPTVCA-VIFPVBQESA-N 268.313 0.553 10 10 CCCE Oc1ccc(CNCCc2ncon2)c(O)c1O 231792512 GMACCOWVBUJNCL-UHFFFAOYSA-N 251.242 0.519 10 10 CCCE Cc1cccc(CNC(=O)[C@H]2CNCCN2C)c1O 2139742880 FYPIJGIRSLXQGL-GFCCVEGCSA-N 263.341 0.220 10 10 CCCE CNCc1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CF)c(C)c1 2140660528 AISSJAROUKJDBC-IHRRRGAJSA-N 268.332 0.594 10 10 CCCE Cc1cc(C(N)=O)c(NC(=O)c2cc(O)c(O)c(O)c2)[nH]1 1865876507 OZLBUYYIHJDOMQ-UHFFFAOYSA-N 291.263 0.791 10 10 CCCE CN1C[C@H](C(=O)O)[C@@H](O)c2cc3c(cc21)OCO3 250642559 UGENCODCPZOEFG-CPCISQLKSA-N 251.238 0.599 10 10 CCCE N[C@@]1(CO)CCCN(c2ccc3c(c2)OCCO3)C1 259476727 YODIBSCSCLKPEP-AWEZNQCLSA-N 264.325 0.748 10 10 CCCE Cn1ccc(-c2[nH]c(=N)nc(Cl)c2N)cc1=O 1942382363 UWXNGZQHPATEBI-UHFFFAOYSA-N 251.677 0.490 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC[C@@H]2CO)cc1 1944085413 GDJWWBYIWCQHOK-LLVKDONJSA-N 256.327 0.165 10 10 CCCE Cn1nnc(Cn2ccc3c(CCN)cccc32)n1 236102142 YVWGCJKOICXDBA-UHFFFAOYSA-N 256.313 0.714 10 10 CCCE Nc1cc2c(cc1N1CCOC[C@@H](N)C1)OCCO2 1876222524 DWVNOMOOGDKSEV-VIFPVBQESA-N 265.313 0.204 10 10 CCCE C[C@H]1CN(C(=O)CCOc2ccc(N)cc2)C[C@H]1N 1876457247 TYBLRDXQMJJBMQ-GXFFZTMASA-N 263.341 0.843 10 10 CCCE Nc1ccc(CC(=O)N2CCC(OCCO)CC2)cc1 128726733 MWOFPZVZUBVSET-UHFFFAOYSA-N 278.352 0.811 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1C[C@@H](CO)C2(CC2)C1 2144090816 MRCMDHLTZFQJMD-NSHDSACASA-N 277.320 0.871 10 10 CCCE O=C(O)[C@]1(O)CCCN(Cc2ccc(O)c(O)c2)C1 1891192484 DYCFJUKXFKRHEN-ZDUSSCGKSA-N 267.281 0.509 10 10 CCCE COC(=O)[C@@](C)(N)C1(c2cc(O)c(O)c(O)c2)CC1 1951858350 YEALQXRIQYWPKH-GFCCVEGCSA-N 267.281 0.725 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@@H]3CC[C@@H](O)[C@H]3C2)cc1 252845928 CKZODAFOVBHPGU-FPMFFAJLSA-N 296.392 0.801 10 10 CCCE CN(C)c1ccc([C@H](O)[C@H](N)CC2CS(=O)(=O)C2)cc1 2148388269 XHLDDSUBTMVTSR-KGLIPLIRSA-N 298.408 0.548 10 10 CCCE Nc1ccc(OCC(=O)OC[C@H]2CCS(=O)(=O)C2)cc1 2148784499 RJZXQLAAUCDGFA-SNVBAGLBSA-N 299.348 0.626 10 10 CCCE O=C1NC(=O)[C@@H](CCCNCc2cccc(F)c2O)N1 2150329742 GYZROYQIBDIBOD-SNVBAGLBSA-N 281.287 0.609 10 10 CCCE O=c1c2c(ccn1CCOC1CCOCC1)CCNC2 2150796737 BLTHYZALZOMUEY-UHFFFAOYSA-N 278.352 0.690 10 10 CCCE CN(C[C@H](O)COc1ccc(N)cc1)CC(C)(C)CO 2150981268 LEOKLJUEJRBZGP-ZDUSSCGKSA-N 282.384 0.959 10 10 CCCE Nc1ccc(OCC(=O)NCCN2CCOCC2)cc1 40294561 KOLZMUPLQFAHED-UHFFFAOYSA-N 279.340 0.096 10 10 CCCE C[S@](=O)CC1CN(Cc2cc(N)ccc2O)C1 2001789139 NDQOYRYFBODAEC-KRWDZBQOSA-N 254.355 0.785 10 10 CCCE COCCN(CCOC)c1ccc2c(c1)NC(=O)[C@@H]2N 48895500 PKCLQZZCJPEMIE-CYBMUJFWSA-N 279.340 0.738 10 10 CCCE COc1cc(N)c(N2CCOC[C@H](CO)C2)cc1OC 2154479683 OZUZUPCHMODTHR-JTQLQIEISA-N 282.340 0.731 10 10 CCCE CN1CCc2cc([C@H](N)[C@@H]3CCN(C)S3(=O)=O)ccc21 2154716878 CWJCVPVYLPSGLK-KBPBESRZSA-N 295.408 0.713 10 10 CCCE CCCN(c1ccc(N)cc1)S(=O)(=O)CC(=O)OC 63115453 ZIKOXSRVPQHEGW-UHFFFAOYSA-N 286.353 0.988 10 10 CCCE CSCCN(CC(=O)O)C(=O)c1cccc(O)c1O 700256316 GBDABQKKEKRYPR-UHFFFAOYSA-N 285.321 0.988 10 10 CCCE CN1C(=O)CC[C@H](NCc2ccc(F)c(F)c2O)C1=O 700765699 MYQJWHMUGOMGLW-VIFPVBQESA-N 284.262 0.907 10 10 CCCE [N-]=[N+]=NCCN[C@@H](C(N)=O)c1ccc(O)cc1F 404251847 KXUZTSMBJWVOJX-SECBINFHSA-N 253.237 0.958 10 10 CCCE CO[C@@H]1C[C@@H](CO)N(c2ccc([C@H](C)N)c(O)c2)C1 311629965 IYMSQXDCUQRSCL-ZMLRMANQSA-N 266.341 0.998 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CCC[S@](=O)CC1 321987685 DKAOOEBSKKMVFJ-SFHVURJKSA-N 269.322 0.692 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1C[C@H]2C[C@H]1C[C@H]2O 2160697535 WMXQCPJVKBKICN-SBFPOUOMSA-N 277.320 0.916 10 10 CCCE CC1(C)[C@@H](NC(=O)Cc2ccc(O)c(O)c2)[C@@H]1C(=O)O 2160923883 YGGHRYLHYKNPLU-NEPJUHHUSA-N 279.292 0.866 10 10 CCCE CCOc1cccc(CN2CCNC[C@H]2C(=O)O)c1O 88658948 JXQXVSDMCRKHDF-NSHDSACASA-N 280.324 0.649 10 10 CCCE CN(CC(C)(CO)CO)C(=O)Cc1ccc(N)cc1 689230542 FNXJSEYETWJKAP-UHFFFAOYSA-N 266.341 0.261 10 10 CCCE C[C@H](N[C@H]1COCC[C@@H]1O)c1cc(O)ccc1O 710884396 JAHVCCOHDDZCCB-QWRKXWFKSA-N 253.298 0.898 10 10 CCCE COC(=O)[C@]1(NCCN=[N+]=[N-])CO[C@H](C2CC2)C1 691358973 UTNDCNGDALVSEM-GXSJLCMTSA-N 254.290 0.997 10 10 CCCE CCn1cc([C@H](NCCCN=[N+]=[N-])C(N)=O)nn1 714415570 LYJXUYIRCPSAKQ-QMMMGPOBSA-N 252.282 0.114 10 10 CCCE CCS(=O)(=O)NCCN[C@H](C)c1cc(O)ccc1O 390096514 OFTRBGKGQAWYSR-SECBINFHSA-N 288.369 0.688 10 10 CCCE CC[C@H](N)c1ccc(N2C[C@H]3C(=O)NC(=O)[C@@H]3C2)cc1 387434633 OTEXHLVWSDMIHZ-UPJWGTAASA-N 273.336 0.805 10 10 CCCE CC1(C)CN(S(=O)(=O)Cc2ccc(N)cc2)C[C@H]1O 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C[C@H](COC(=O)c1ccn(-c2ccc(N)cc2)n1)C(N)=O 41102194 PRSKKDNOTODNJV-SECBINFHSA-N 288.307 0.733 10 10 CCCE C[C@]1(CO)CCN1C(=O)Cc1ccc(O)c(O)c1 1953083417 TWSNOSDGMKQBIP-CYBMUJFWSA-N 251.282 0.624 10 10 CCCE CNC(=O)[C@H]1CNCCN1[C@@H](C)c1cc(OC)ccc1O 89081962 OHKRHKDYDHSLGR-GXFFZTMASA-N 293.367 0.482 10 10 CCCE OC[C@@H]1C[C@@H](O)CN1Cc1ccc(N2CCOCC2)cc1 370398450 QAMMVJZHKOBJPU-JKSUJKDBSA-N 292.379 0.451 10 10 CCCE CC(=O)C(=O)COC(=O)CCn1cc([N+](=O)[O-])nc1C 808509913 XQLFWCXUNZDWMD-UHFFFAOYSA-N 283.240 0.191 10 10 CCCE CCc1c([C@H](NN)c2ccc(N(C)C)cc2)nnn1C 2163111946 XOJBDJDLFPCITK-CYBMUJFWSA-N 274.372 0.996 10 10 CCCE CC(=O)C(=O)COC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 808492727 CNEKEMJUXDYTRK-SNVBAGLBSA-N 293.250 0.953 10 10 CCCE COc1ccc(CNC(=O)[C@@]2(C)C[C@H](O)CN2C)c(O)c1 907925510 HYDXESIZSSRVEJ-XHDPSFHLSA-N 294.351 0.472 10 10 CCCE OC[C@]1(O)CCCN(Cc2cc(F)ccc2O)C1 839159646 OEDSUSOLJRAYAB-ZDUSSCGKSA-N 255.289 0.851 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@H]2CC[C@H](O)CC2)cc1 160012289 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BREIWARKYBHWDG-VIFPVBQESA-N 258.343 0.467 10 10 CCCE C[C@H](O)c1ccc(N2C[C@H](O)[C@H](N(C)C)C2)cc1 2029438403 TZVUDGXVAYDPAJ-GDLCADMTSA-N 250.342 0.851 10 10 CCCE COc1ccc(O)c(CN2CCOC[C@H]2CN)c1 2035629100 NAOXNHQFXCFWTH-LLVKDONJSA-N 252.314 0.560 10 10 CCCE COCCNCc1ccc(N2CC(O)(CO)C2)c(F)c1 2171951162 MJYIPFANXFEDJR-UHFFFAOYSA-N 284.331 0.105 10 10 CCCE Nc1cc2c(cc1N1C[C@H]3C[C@H]1C[C@H]3O)NC(=O)CO2 2172092905 MIWZKEGIGRQGCI-RGNHYFCHSA-N 275.308 0.559 10 10 CCCE C[C@@H]1CC(=O)NCCN1c1ccc2c(c1)NC(=O)[C@H]2O 687981730 WJZYROOTESDCKG-OQPBUACISA-N 275.308 0.387 10 10 CCCE C[S@](=O)C1(CNC(=O)Cc2ccc(N)cc2)CC1 380143783 PBBUFXSSVUQXDN-SFHVURJKSA-N 266.366 0.839 10 10 CCCE NCc1cn(C2CN(Cc3ccccc3O)C2)nn1 713352217 VQWXSLFBSYZZQK-UHFFFAOYSA-N 259.313 0.499 10 10 CCCE COCC[C@@H](CO)NC(=O)CCOc1ccc(N)cc1 382948588 FZYQICLVZNGINC-LBPRGKRZSA-N 282.340 0.551 10 10 CCCE COc1ccc(O)c(CN[C@@H]2CCCN(CCO)C2)c1 384413373 RBJOCYJDVJXISZ-CYBMUJFWSA-N 280.368 0.947 10 10 CCCE C[C@H]1[C@H](CN)CCN1C(=O)c1ccc(O)c(O)c1 385881044 LEFDPQHHQSFOHJ-WPRPVWTQSA-N 250.298 0.907 10 10 CCCE C[C@@H](O)c1ccc(N2CCN(C[C@@H](O)CO)CC2)cc1 2178034734 IYSXXAJCCVBVCP-IUODEOHRSA-N 280.368 0.215 10 10 CCCE O=C1NC(=O)C2(CCN(c3ccc(CO)cc3)CC2)N1 2170624611 UPXAZFLSWBAHIJ-UHFFFAOYSA-N 275.308 0.357 10 10 CCCE O=C(N[C@@H]1CC(=O)N2CCC[C@H]12)c1cccc(O)c1O 2188494403 NHWRFGPFYGUFCT-NXEZZACHSA-N 276.292 0.591 10 10 CCCE CCN1CCN(C(=O)c2cc(O)c(O)c(O)c2)C[C@@H]1C 2188867532 CFNUPCQNVQLTKU-VIFPVBQESA-N 280.324 0.970 10 10 CCCE CN(C[C@@H](O)COc1ccc(N)cc1)C1CC(CO)C1 2193572470 LIXWXASBYAIDMM-UXUKBGGZSA-N 280.368 0.711 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@H]1CNC2(CC2)CO1 2183957672 GLOMZPAVHKCUJF-CYBMUJFWSA-N 276.336 0.872 10 10 CCCE COc1cccc(O)c1CNC[C@@H]1CCC(=O)N1 2042581393 PHSQXWXJTVDVTE-VIFPVBQESA-N 250.298 0.769 10 10 CCCE Oc1ccc(F)cc1CN1CCOCC12CNC2 2048710226 JKPPQUWWEFQEJN-UHFFFAOYSA-N 252.289 0.706 10 10 CCCE N[C@@H](C[C@H]1CCCO1)C(=O)C(=O)C[C@H]1C[C@H](N)C1 2049781830 ZPRZRQMWUIQGEC-DBIOUOCHSA-N 254.330 0.148 10 10 CCCE O=S1(=O)C[C@@H]2[C@H](NCc3ccc(O)cc3O)[C@@H]2C1 2054277465 GYPPFYVCUHXHOD-PEGIJTEDSA-N 269.322 0.230 10 10 CCCE COc1cccc(O)c1CN[C@@H]1COC[C@H]1OC 2057141085 GNSMAKDGYGFUQF-ZWNOBZJWSA-N 253.298 0.904 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3C[C@@H]4C[C@@H]4[C@H]3CO)cc21 2198997474 SNNWQLQZCGOOFC-MSRLKIHKSA-N 273.336 0.480 10 10 CCCE C[C@H](O)[C@@H]1C[C@@H]1NC(=O)COc1ccc(N)cc1 2061893814 SPFZEVROOUNAQR-UWJYBYFXSA-N 250.298 0.533 10 10 CCCE CO[C@@H](C)[C@@H](C)NC(=O)c1cc(O)c(O)c(O)c1 2068622956 CBKNWKBIWYSSCY-RQJHMYQMSA-N 255.270 0.957 10 10 CCCE Nc1ccc(OCC(=O)N[C@@H]2COC[C@@H]2F)cc1 2071560120 GJDIHKXSTJWKKW-WDEREUQCSA-N 254.261 0.501 10 10 CCCE Nc1ccc(NC(=O)NCC2(CO)COC2)cc1 2071563736 NKERBJGXZIDUIN-UHFFFAOYSA-N 251.286 0.399 10 10 CCCE C[C@@H](NC(=O)CCOCCN)c1ccccc1O 2072491291 QOXXMRCIIDRFPP-SNVBAGLBSA-N 252.314 0.935 10 10 CCCE OCC1(NCc2ccc(F)c(F)c2O)CC(O)C1 2073605135 QLJHVDYMGJWDRQ-UHFFFAOYSA-N 259.252 0.646 10 10 CCCE CN(c1ccc2c(c1)NC(=O)[C@@H]2N)C1COCCOC1 2188048315 DKIPZMOXZYHMBA-CYBMUJFWSA-N 277.324 0.490 10 10 CCCE O=S(=O)(Nc1ccc(O)cc1)N1CCCC[C@@H]1CO 2101594151 UPCZKMWFRGPJPR-LLVKDONJSA-N 286.353 0.896 10 10 CCCE NC[C@@]12CC[C@H]1CN(S(=O)(=O)Cc1ccc(N)cc1)C2 2201361701 GLRIXZFBDOAGTB-GXTWGEPZSA-N 295.408 0.769 10 10 CCCE C[C@H](NC(=O)N1CC[C@H](CN=[N+]=[N-])C1)S(C)(=O)=O 2082958528 AMLVZKRHNCQWLV-HTQZYQBOSA-N 275.334 0.719 10 10 CCCE CCOC(=O)C1CN(C(=O)c2cccc(O)c2O)C1 2103508418 JISFKVBWUCZVME-UHFFFAOYSA-N 265.265 0.733 10 10 CCCE CNCc1ccc(N2C[C@H](O)[C@H](F)C2)cc1OC 2084017718 VDNNHJFBKHHXDM-NEPJUHHUSA-N 254.305 0.934 10 10 CCCE CCCN(CC(N)=O)c1ccc(CO)c(OC)c1 2084016435 JHCMVXPCGNQHRC-UHFFFAOYSA-N 252.314 0.889 10 10 CCCE Cc1cccc(CNC(=O)[C@@H]2COCCN2)c1O 2084061938 AJQBVWRYZVTZDX-NSHDSACASA-N 250.298 0.305 10 10 CCCE Nc1ccc(OCC(=O)OCC2CC(O)C2)cc1 2084656501 HFIRHHKWGSIDAP-UHFFFAOYSA-N 251.282 0.962 10 10 CCCE CCn1cc([C@H](O)[C@@H](NC)c2ccccc2O)nn1 2091863044 KSVDMATVHRVCOC-STQMWFEESA-N 262.313 0.998 10 10 CCCE Cc1cc(CN)ccc1N1C[C@@H](CO)[C@@H](CCO)C1 2093496850 WGERXOGIPSXFMW-KBPBESRZSA-N 264.369 0.881 10 10 CCCE Cc1nnn(C)c1CNCCc1ccc(O)c(O)c1 2094704129 YFPQKDZRBRRJAZ-UHFFFAOYSA-N 262.313 0.867 10 10 CCCE Nc1ccc(OCCCN2C[C@H](O)[C@@H](O)[C@H]2CF)cc1 2205599103 IXLQBPAFKGNTOB-RDBSUJKOSA-N 284.331 0.413 10 10 CCCE N[C@@H]1[C@H]2C[C@@H](CN(Cc3ccccc3O)C2)[C@H]1CO 2230870803 BAVWJSBGLMVEGV-RMRHIDDWSA-N 262.353 0.780 10 10 CCCE [N-]=[N+]=N[C@H]1CCC[C@@H]1NC(=O)Cn1nc(O)ccc1=O 2234171763 OHIWSNOAGYEECV-YUMQZZPRSA-N 278.272 0.297 10 10 CCCE CNCc1cc(OC)ccc1N1CCOC[C@H](CO)C1 2235961103 XJGUDWSXLRWSPN-LBPRGKRZSA-N 280.368 0.860 10 10 CCCE COc1ccc(N2C[C@@H](CCO)[C@@H](CO)C2)c(C=O)c1 2235988581 QMXLLOROJCZAAN-DGCLKSJQSA-N 279.336 0.935 10 10 CCCE COc1ccc(N2CC[C@@H](O)[C@H](CO)C2)c(OC)c1 2226807938 STEIPQGAYVPGES-GXFFZTMASA-N 267.325 0.883 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3CC=C[C@]3(C)CO)cc21 2237172526 SRLXCCYMYXRBKE-UKRRQHHQSA-N 273.336 0.790 10 10 CCCE COc1ccc(N2C[C@@H]3NC(=O)O[C@@H]3C2)c(C=O)c1 2227693707 ZTRDCIPQMDTRTD-CMPLNLGQSA-N 262.265 0.805 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)[C@H]2CCN[C@H]2C2CC2)C1 2253712233 CCUBISMKEINXPG-DJFWLOJKSA-N 250.342 0.640 10 10 CCCE COc1cccc(CNC2CC(O)(CO)C2)c1O 2256981058 DQLJIKXEOVFSCU-UHFFFAOYSA-N 253.298 0.376 10 10 CCCE CNCc1ccc(N2CC[C@H]2[C@@H](O)CO)cc1Cl 2258343685 DEVPOUDLLGMGSX-STQMWFEESA-N 270.760 0.991 10 10 CCCE COC(=O)[C@@]1(NCCCN=[N+]=[N-])COC2(COC2)C1 2270794049 ZJOHITWIFOXPAS-NSHDSACASA-N 270.289 0.378 10 10 CCCE Nc1ccc(OCCN2CC[C@@H](O)[C@H](O)CC2)cc1 2269143373 AHULONGFHVCVGC-ZIAGYGMSSA-N 266.341 0.465 10 10 CCCE O=C(NCC1(CO)CC(F)(F)C1)c1cc(O)nc(O)c1 2281675817 FVHWMUCQQVQMDG-UHFFFAOYSA-N 288.250 0.630 10 10 CCCE CSc1ncc(CN[C@]2(C(=O)O)COC[C@@H]2N)s1 2324963861 FOBBXCYHEIWHJV-OIBJUYFYSA-N 289.382 0.136 10 10 CCCE Oc1ccccc1CNC[C@@H]1C[C@@H]2C[C@H]1[C@H](O)[C@@H]2O 2330551009 RDMPYGXZDVOVBL-OGMFBOKVSA-N 263.337 0.860 10 10 CCCE COc1ccc(N(C)C[C@H]2NCC[C@@H](O)[C@H]2O)cc1 2331513228 CPPFMAVCBWLDND-MCIONIFRSA-N 266.341 0.215 10 10 CCCE CN1C(=O)[C@@H](O)c2ccc(N3C[C@@H]4COC[C@@H]43)cc21 2331656978 MZRQDVQHXUTMST-JCOFBHIZSA-N 260.293 0.531 10 10 CCCE Nc1ccc(OCC(=O)N[C@H]2CCN[C@@H]3C[C@H]23)cc1 2332131124 WGGAAZGCXNGOFY-FRRDWIJNSA-N 261.325 0.514 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N3CCN(C)[C@@H]4C[C@@H]43)cc21 2355079904 ABZBGICUAQGMQE-RDBSUJKOSA-N 272.352 0.556 10 10 CCCE C[C@@H](c1ccccc1O)N(C)S(=O)(=O)CC(=O)O 37838909 PQQFLJZQLFDWDW-QMMMGPOBSA-N 273.310 0.799 10 10 CCCE CNCc1ccc(N2C[C@H](O)[C@@H](O)C2)c(Cl)c1 234381397 BKEWGZUXEJFZTB-RYUDHWBXSA-N 256.733 0.601 10 10 CCCE C[C@H](NCCCS(N)(=O)=O)c1cc(F)ccc1O 94618005 UADHHMVWFWNVGS-QMMMGPOBSA-N 276.333 0.861 10 10 CCCE O=C(CN1C(=O)CSC1=S)N1CCn2nccc2C1 238818828 CCYCEIXDULMNSH-UHFFFAOYSA-N 296.377 0.086 10 10 CCCE O=C1NNC(=O)C1=Cc1ccc(Br)cc1 382741935 AVSUXXPQAJJFAY-UHFFFAOYSA-N 267.082 0.994 10 10 CCCE CC(=O)C(=O)COC(=O)CCCn1ccccc1=O 808519229 XPHMKEAKTVQOTK-UHFFFAOYSA-N 265.265 0.330 10 10 CCCE COC[C@](C)(O)CCNC(=O)c1cccc(O)c1O 833449814 XZBCIVGDTUFYKE-CYBMUJFWSA-N 269.297 0.615 10 10 CCCE COc1cccc(CNCCS(=O)(=O)O)c1O 83445992 UPDGYPULRVVMGD-UHFFFAOYSA-N 261.299 0.378 10 10 CCCE Cc1cccc([C@@H](C(=O)O)N2C(=O)CCC2=O)c1O 83457971 VOUUHUCLVOBZJX-NSHDSACASA-N 263.249 0.975 10 10 CCCE CCOc1n[nH]c(NC(=O)Cc2ccc(O)c(O)c2)n1 1587743981 IPPNGYMRBQTWAJ-UHFFFAOYSA-N 278.268 0.796 10 10 CCCE C[C@@H](c1cc(O)ccc1O)N1CCOC[C@@H]1C(=O)O 88381463 CJKDUKJBMXEODY-GZMMTYOYSA-N 267.281 0.944 10 10 CCCE CN(C)c1ccc(CNC(=O)[C@H]2CO[C@H](CN)C2)cc1 713819983 DHBCJZIWUFCULF-OCCSQVGLSA-N 277.368 0.733 10 10 CCCE O=C1CO[C@@H]2CCN(c3ccc(CO)cc3)C[C@H]2N1 2129061989 UBXCDBODKCMAMN-CHWSQXEVSA-N 262.309 0.273 10 10 CCCE CN[C@@H](C)[C@@H](NC(=O)c1cc(O)nc(O)c1)C1CC1 2119393614 LBYCCEBCYBTKGU-JVXZTZIISA-N 265.313 0.609 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CCC=C[C@H]2CO)cc1 2125930774 BIPPMJNIGHAVOU-ZDUSSCGKSA-N 282.365 0.721 10 10 CCCE O=C1C[C@@H](NC(=O)Cc2ccc(O)c(O)c2)CCN1 2129771062 JWDDUJKJIOCNCY-VIFPVBQESA-N 264.281 0.035 10 10 CCCE C[C@@](NCCCN=[N+]=[N-])(C(=O)O)[C@H]1CCS(=O)(=O)C1 1912195496 ZPPILQZNLAIVLK-WPRPVWTQSA-N 290.345 0.554 10 10 CCCE CS(=O)(=O)N1CC[C@H](CN2CC[C@@H](CN=[N+]=[N-])C2)C1 1912154405 BWDFQXSYMGLMQO-WDEREUQCSA-N 287.389 0.900 10 10 CCCE COC(=O)CCCNC(=O)CN1CC[C@@H](N=[N+]=[N-])C1 1912183012 KBLIHFDOUNOEKS-SECBINFHSA-N 269.305 0.440 10 10 CCCE CN(CCNC(=O)Cc1ccc(O)c(O)c1)C1CC1 1442337017 PKXFRHYHNAFAJV-UHFFFAOYSA-N 264.325 0.851 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NCCOC[C@H]1CCCO1 1465241125 HUJBFNLIJLIERG-GFCCVEGCSA-N 295.335 0.952 10 10 CCCE CNCc1ccc(N2C[C@@H]3[C@H](C(N)=O)[C@@H]3C2)cc1C 2136602410 CYNARKSYGNTJFB-BTTYYORXSA-N 259.353 0.882 10 10 CCCE COC(COCCNC(=O)Cc1ccc(O)c(O)c1)OC 1466952729 DYRAGSDENRRJTF-UHFFFAOYSA-N 299.323 0.392 10 10 CCCE C[C@H]1CN[C@H](CO)CN(c2ccc3c(c2)OCO3)C1 217097854 BYERUXHXNRDRNX-QWRGUYRKSA-N 264.325 0.822 10 10 CCCE CCCc1c(C(=O)[C@H]2CCCC(=O)C2=O)nnn1C 1923530275 DKKLKXFVWCDEJW-QMMMGPOBSA-N 263.297 0.889 10 10 CCCE Nc1ccc(CCC(=O)NCC(=O)N2CCCC2)cc1 228778722 YCHDWRNIISZKDF-UHFFFAOYSA-N 275.352 0.940 10 10 CCCE C[C@@H]1C(=O)N(NC(=O)c2cccc(O)c2O)C(=O)N1C 1585137488 IMQUDDPBDJROCG-ZCFIWIBFSA-N 279.252 0.025 10 10 CCCE C[C@]1(CCO)CCN1C(=O)c1cc(O)c(O)c(O)c1 2140577016 BTWDRQOSFFUCGJ-CYBMUJFWSA-N 267.281 0.790 10 10 CCCE N[C@@H]1CCc2cc(N3C[C@H](O)[C@H](O)[C@H]3CF)ccc21 2140666240 VJMCRHNSDIUNCO-YIYPIFLZSA-N 266.316 0.513 10 10 CCCE CC(C)NC(=O)[C@@H]1COCCN1c1ccc(N)cc1 159287663 JOFIQOZJCYZCLD-ZDUSSCGKSA-N 263.341 0.999 10 10 CCCE CN(C)c1ccc(/C=C\C(=O)N[C@H](CO)C(=O)O)cc1 208506447 PIVWMAGTKCYPLL-VVEJJEBESA-N 278.308 0.328 10 10 CCCE Cn1cnc(CNC(=O)CCOc2ccc(N)cc2)n1 236118771 PEDLZANCLQIGRO-UHFFFAOYSA-N 275.312 0.483 10 10 CCCE CCS(=O)(=O)N1CCN(c2ccc(CNC)cc2)CC1 2143490851 JZPZHYWLWSIRED-UHFFFAOYSA-N 297.424 0.878 10 10 CCCE Nc1cc2c(cc1N1CCCNCC1)NC(=O)CO2 1876291444 WDXQUTOXLKVRFY-UHFFFAOYSA-N 262.313 0.399 10 10 CCCE Nc1ccc(OCC(=O)N=[S@]2(=O)CC[C@H](N)C2)cc1 1876448844 IYJQHDLQVZFUMD-OVWNDWIMSA-N 283.353 0.373 10 10 CCCE Nc1ccc(OCC(=O)NCC[C@H]2CCNC2)cc1 1876521868 TVCBIFIJIBPZNJ-LLVKDONJSA-N 263.341 0.763 10 10 CCCE O=S(=O)(NCCNCc1ccccc1O)C(F)F 1964611420 FNJWJJUVUBLSHZ-UHFFFAOYSA-N 280.296 0.624 10 10 CCCE CN(C)c1ccc(C=CC(=O)NCC[C@@H](O)CO)cc1 1963325191 KUWPSFNRMKZOFU-CQSZACIVSA-N 278.352 0.625 10 10 CCCE N[C@]1(C(=O)NCCc2ccc(O)c(O)c2)CC[C@@H]2C[C@@H]21 1968739218 MQGSMYBSIUUEFA-JRPNMDOOSA-N 276.336 0.884 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1[C@H]2CCCCN[C@@H]21 1973334843 DTEYARSLNCPGGM-NZVBXONLSA-N 276.336 0.897 10 10 CCCE CNCc1ccc(N2CCOC[C@H]2[C@H](O)CO)c(C)c1 2146325564 HEIWSNWZONKXGQ-LSDHHAIUSA-N 280.368 0.273 10 10 CCCE O=C1Nc2cc(N3C[C@H](O)[C@H](C4CC4)C3)ccc2[C@@H]1O 2146829306 VMRKSZNPGLXEFS-UBHSHLNASA-N 274.320 0.879 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC[C@H]3[C@H](C2)[C@@H]3CO)cc1 2149545260 MJFKUXAWTZWYNF-MELADBBJSA-N 296.392 0.659 10 10 CCCE O=S1(=O)CC[C@H](NCc2cc3c(cc2O)OCO3)C1 42879074 PCEDAKPOEAOVGO-VIFPVBQESA-N 285.321 0.398 10 10 CCCE COc1cc(N)c(N2C[C@@H]3OCCO[C@H]3C2)cc1OC 2149772215 UKIJHIDSQNDDHG-KBPBESRZSA-N 280.324 0.890 10 10 CCCE O=C(O)c1cc[nH]c(=NCCc2ccc(O)c(O)c2)n1 2148004513 PAUADECYLGBQBZ-UHFFFAOYSA-N 275.264 0.663 10 10 CCCE COC[C@@]1(O)CCCN(C(=O)c2cccc(O)c2O)C1 2151839309 RJHDQBPQCPXEPV-CQSZACIVSA-N 281.308 0.711 10 10 CCCE CNC[C@@H]1CC[C@@H](C)CN1C(=O)c1cc(O)nc(O)c1 2152080695 KRYMFLUGIYHTLL-KOLCDFICSA-N 279.340 0.953 10 10 CCCE NCc1ccc(N2CC[C@H](O)[C@@H](O)C2)c(Cl)c1 2014961979 RDLQPGIRVFGUCJ-RYUDHWBXSA-N 256.733 0.731 10 10 CCCE C[C@H](NC[C@@H]1COC[C@@H]1O)c1ccc(O)cc1O 2036568967 RLQSBRLGNUQTJU-RWEMILLDSA-N 253.298 0.756 10 10 CCCE N[S@@](=O)(=NCc1ccccc1O)N1CCOCC1 2036694110 GLIBXERDTDVLQW-GOSISDBHSA-N 271.342 0.481 10 10 CCCE O=C(N[C@@H]1CC[C@H]2CNC[C@H]2C1)c1cc(O)nc(O)c1 401166841 LTISXORCGVMPKE-JMJZKYOTSA-N 277.324 0.611 10 10 CCCE CN(CCOCCO)CCC(=O)Nc1ccc(N)cc1 312634260 SHECLPCKYBFAGF-UHFFFAOYSA-N 281.356 0.538 10 10 CCCE COc1cc(N)c(N2C[C@H]3C[C@H]2[C@@H](O)[C@H]3O)cc1OC 2160704654 RYZRCCFGYRIQIB-KUQGBDSZSA-N 280.324 0.216 10 10 CCCE CN(C)S(=O)(=O)CCNCc1ccc(F)c(F)c1O 703418056 SFULDKTZBPPSPR-UHFFFAOYSA-N 294.323 0.651 10 10 CCCE OCc1ccc(N2C[C@@H](CO)[C@H](CO)C2)cc1Cl 704415905 OPSVRPQWIOVRQF-QWRGUYRKSA-N 271.744 0.869 10 10 CCCE Cc1cccc(CN2CC[C@@]3(C2)NC(=O)NC3=O)c1O 371424868 JMRUUNZGEXHCSW-AWEZNQCLSA-N 275.308 0.485 10 10 CCCE Nc1ccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 378977288 CAIMHFMVUOBIKR-KKOKHZNYSA-N 258.277 0.936 10 10 CCCE COc1cccc(CNCC2(S(N)(=O)=O)CC2)c1O 713949801 RSOBBRHJDZYKRF-UHFFFAOYSA-N 286.353 0.312 10 10 CCCE CNCc1cc(F)c(N2CC[C@@](O)(C(N)=O)C2)c(F)c1 383693656 ZERSMKGUNUJTRW-ZDUSSCGKSA-N 285.294 0.111 10 10 CCCE CCN(Cc1cc(N)ccc1O)[C@@H]1CCS(=O)(=O)C1 387196131 BXDKDMPMHIJOTM-GFCCVEGCSA-N 284.381 0.983 10 10 CCCE O=C1NOC[C@H]1NCc1ccc(N2CCCC2)cc1 393770677 FSGHHTSNJYRRTJ-CYBMUJFWSA-N 261.325 0.806 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CCC[C@@H]2CCO)cc1 394195002 JRZDWQJVLUYFRT-CYBMUJFWSA-N 284.381 0.945 10 10 CCCE C[C@H](NC[C@@H]1CNC(=O)C1)c1ccc(O)cc1O 398343160 FIPBQYOTFZVKED-DTWKUNHWSA-N 250.298 0.885 10 10 CCCE N[C@@H]1CC(C(=O)N2CCCOc3ccccc32)=C[C@@H]1O 2188017927 BTZIODZAFBSGRY-YPMHNXCESA-N 274.320 0.820 10 10 CCCE CC(C)[C@H]1NCC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2188912052 HJPMOEYCCLJFHC-BXKDBHETSA-N 280.324 0.920 10 10 CCCE CC(=O)c1cc(F)cc(CN2CCC2(CO)CO)c1O 2194447125 KJSOLWZDVKGNFB-UHFFFAOYSA-N 283.299 0.663 10 10 CCCE NC(=O)[C@]1(O)CCCN(c2ccc3c(c2)CC[C@@H]3O)C1 2184740248 QZQJSNAAAXNKEP-ZFWWWQNUSA-N 276.336 0.483 10 10 CCCE CN1CC[C@@H](CNS(=O)(=O)Cc2ccc(N)cc2)C1=O 2194707481 HGQJHDRJAXZHDP-NSHDSACASA-N 297.380 0.167 10 10 CCCE C[C@@H](NCCCNC(N)=O)c1ccc(O)cc1O 2048907318 WVHYLSXWTXESOW-MRVPVSSYSA-N 253.302 0.807 10 10 CCCE N[C@H]1C[C@@H]([C@@H](F)C(=O)NCCc2ccc(O)c(O)c2)C1 2199084419 DLQVCHZYWNALKM-GBIKHYSHSA-N 282.315 0.832 10 10 CCCE Nc1ccc(CCC(=O)NCCO[C@@H]2CCNC2)cc1 2191660318 VLCJSCGBQCODDR-CQSZACIVSA-N 277.368 0.696 10 10 CCCE N=S1(=O)CC2(CN(Cc3ccc(O)c(O)c3)C2)C1 2062665827 HSCSORHHRFCNLS-UHFFFAOYSA-N 268.338 0.960 10 10 CCCE CN1CC(N(C)c2ccc(CO)c([N+](=O)[O-])c2)C1 2068303695 KJAMBUUCNVBJQD-UHFFFAOYSA-N 251.286 0.837 10 10 CCCE CC[C@](C)(O)CNC(=O)c1cc(O)c(O)c(O)c1 2068579454 XGXQMVFBAIKYJD-LBPRGKRZSA-N 255.270 0.694 10 10 CCCE CC(C)[C@H](N)CNC(=O)COc1ccc(N)cc1 2071731732 PDJHRDHZYLIRRP-GFCCVEGCSA-N 251.330 0.747 10 10 CCCE COC[C@@H](N)CC(=O)N[C@@H](C)c1ccccc1O 2072485783 IMGWHJSQWVBTIY-UWVGGRQHSA-N 252.314 0.933 10 10 CCCE CNC(=O)[C@H](C)N(C)c1ccc(CN)c(OC)c1 2084016310 KMWGLQALSUWVAI-VIFPVBQESA-N 251.330 0.725 10 10 CCCE C[C@@]1(CCO)CCN1C(=O)c1cc(O)nc(O)c1 2084698374 WBKPBIQPUSLTQF-LBPRGKRZSA-N 252.270 0.480 10 10 CCCE O=C(NCCc1ncccn1)c1ccc(O)c(O)c1 2106929122 BYZJCVSTOBCBNM-UHFFFAOYSA-N 259.265 0.860 10 10 CCCE Nc1ccc(O)c(CN2C[C@H]3CS(=O)(=O)C[C@@H]3C2)c1 2087859412 AHYRESIIWKIESA-QWRGUYRKSA-N 282.365 0.451 10 10 CCCE CN1CCc2cc(CN[C@@H]3C[C@@H](O)C[C@@H]3O)ccc21 2108797910 SYFRUYPEZYXPKE-NFAWXSAZSA-N 262.353 0.653 10 10 CCCE CCOC(=O)c1cccc(N)c1N[C@H](C)[C@H](O)CO 2108746006 WQYSMNKURAXZGW-LDYMZIIASA-N 268.313 0.599 10 10 CCCE CN(CCN(C)S(C)(=O)=O)c1ccc(CN)c(F)c1 2090798370 CJVZHXGCBQLBIU-UHFFFAOYSA-N 289.376 0.612 10 10 CCCE CCc1cccc(CN[C@@H]2COC[C@H]2S(C)(=O)=O)c1O 2207482753 MYXAYMCBIYIUQI-CHWSQXEVSA-N 299.392 0.856 10 10 CCCE Cc1nn[nH]c1CCNC(=O)c1cccc(O)c1O 2226267822 VNGSYWLWROGWLG-UHFFFAOYSA-N 262.269 0.497 10 10 CCCE CSc1ncc(CNC(=O)[C@H]2COCCN2)s1 2248611661 OVHFTSAZYCGOFB-MRVPVSSYSA-N 273.383 0.470 10 10 CCCE CO[C@H]1[C@@H](N[C@H](C)c2ccc(O)cc2O)C[C@H]1O 2258689110 HUDYCVPQCJQBBC-ACRHEEIPSA-N 253.298 0.897 10 10 CCCE CN[C@H](C)c1ccc(N2CCOC[C@@H]2C(N)=O)cc1C 2285134372 RONCLBKMWYFGSO-BXUZGUMPSA-N 277.368 0.966 10 10 CCCE NC(=O)C[C@H]1CCCN1c1ccc2c(c1)NC(=O)[C@H]2N 2285554019 BXRUGVGQULICBO-OQPBUACISA-N 274.324 0.483 10 10 CCCE Cc1cc(N2CC3(CNC(=O)CO3)C2)ccc1[C@@H](C)O 2289654416 FGBWBRCPZXZYSM-LLVKDONJSA-N 276.336 0.754 10 10 CCCE C[P@@]1(=O)C[C@@H](O)[C@H](NCc2cc3c(cc2O)OCO3)C1 2296899379 UJORJKOLHXGSQZ-MTTWPYTGSA-N 299.263 0.947 10 10 CCCE Cc1nc(S(=O)(=O)NCCN=[N+]=[N-])c(Cl)n1C 2301101590 XOSNDSROVMMHKZ-UHFFFAOYSA-N 278.725 0.971 10 10 CCCE COc1cc(N2C[C@@H]3C[C@H]2[C@H](O)[C@H]3O)ccc1CO 2333187809 ILXWDTDAJLUZIS-RETIQXCHSA-N 265.309 0.118 10 10 CCCE N[C@@H]1CCCc2cc(N3CC([C@@H](O)CO)C3)ccc21 2336770371 ZXINVDFWSQTYQU-CABCVRRESA-N 262.353 0.812 10 10 CCCE C[C@@](CCN)(NCc1ccc2c(c1)CCO2)C(=O)O 2349078630 BHPNATDMVNKJBN-AWEZNQCLSA-N 264.325 0.903 10 10 CCCE NCc1cc(F)c(N2CCNC(=O)CC2)c(F)c1 62719380 VJYZONSYIVIALY-UHFFFAOYSA-N 255.268 0.750 10 10 CCCE COCCN(CCOC)C[C@H](O)COc1ccc(N)cc1 36197537 YVFPPWUJSGQHGY-AWEZNQCLSA-N 298.383 0.603 10 10 CCCE COc1ccc2c(c1)S(=O)(=O)C[C@@H](CN)N2C 215162838 OJXWDBMFXRQSTE-MRVPVSSYSA-N 256.327 0.246 10 10 CCCE C[S@@](=O)CCCNC(=O)c1ccc(O)c(O)c1 227028251 OSWPPVJFPAGKRN-QGZVFWFLSA-N 257.311 0.596 10 10 CCCE CCN(Cc1ccc(N(C)C)cc1)C(=O)CC(N)=O 265831089 QGCKYARXIKQXEY-UHFFFAOYSA-N 263.341 0.977 10 10 CCCE CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1COC(=O)N1 283298022 FMVZJHKQIZLJCZ-SNVBAGLBSA-N 291.307 0.586 10 10 CCCE CC(=O)c1cc(F)cc(CN2CC(C(N)=O)C2)c1O 381983208 KBAHIULXEDKHNM-UHFFFAOYSA-N 266.272 0.651 10 10 CCCE O=C(NC[C@@H]1C[C@H]2COC[C@H]2O1)c1cccc(O)c1O 724542930 RORZPOXLGRVIFC-HOTUBEGUSA-N 279.292 0.632 10 10 CCCE CC(=O)C(=O)COC(=O)CN1C(=O)COc2ccccc21 808495919 TZHDLRNVAMZHFS-UHFFFAOYSA-N 291.259 0.113 10 10 CCCE CO[C@@H]1C[C@@H](O)CN(c2ccc(CO)cc2[N+](=O)[O-])C1 2165325757 HTBWFOJJYQCLHK-GHMZBOCLSA-N 282.296 0.673 10 10 CCCE C/C=C\[C@H](O)C(=O)NCc1ccc(OC)cc1O 907927578 ZJWRMJJECHFVHR-BYCRGOAPSA-N 251.282 0.954 10 10 CCCE COC[C@@]1(C(=O)NCc2ccc(O)cc2O)CCOC1 910944033 JNXMWSUTLHCUJL-AWEZNQCLSA-N 281.308 0.767 10 10 CCCE NC(=O)[C@H]1C[C@@H](NC(=O)c2cccc(O)c2O)C1 846437474 GRLMPTWZGOFPQP-KNVOCYPGSA-N 250.254 0.092 10 10 CCCE COC[C@@H](CNC(=O)NCc1c(O)cccc1F)OC 921877123 VRUXMOHDBHFUFF-SECBINFHSA-N 286.303 0.992 10 10 CCCE CN1CCN(c2cc3c(cc2N)OCCO3)C[C@@H]1CO 687610773 XGJPVKFYMWTUMC-SNVBAGLBSA-N 279.340 0.153 10 10 CCCE C[C@@H](O)c1ccc(N(C)Cc2nnnn2C)cc1O 707627340 PWICBQRJNPODAW-MRVPVSSYSA-N 263.301 0.605 10 10 CCCE O=C(N[C@H]1CCN(C2CC2)C1=O)c1ccc(O)c(O)c1 709060095 OJSGLWKPRMPTLH-JTQLQIEISA-N 276.292 0.591 10 10 CCCE CCn1cc(C(=O)NCc2ccc(O)cc2O)nn1 1142537761 SICRZYQNJFJJMT-UHFFFAOYSA-N 262.269 0.639 10 10 CCCE Cc1nc(C(=O)N2Cc3cccc(O)c3C2)n(C)n1 1329298498 NMPWMQDSCADIMJ-UHFFFAOYSA-N 258.281 0.985 10 10 CCCE CO[C@H]1COC[C@H]1N(C)C(=O)c1cccc(O)c1O 2120749407 AUQOBJKUBOUMJW-KOLCDFICSA-N 267.281 0.584 10 10 CCCE N[C@@H]1CCc2cc(N3CC[C@@H](O)[C@H](CO)C3)ccc21 2128295196 BMIZAPSGWJERMV-NILFDRSVSA-N 262.353 0.812 10 10 CCCE N[C@H](c1ccccc1O)[C@@]1(O)CO[C@]2(CCOC2)C1 2122427395 CZZXBDCVOBNKIK-MCIONIFRSA-N 265.309 0.703 10 10 CCCE Nc1ccc(OCc2cn(C[C@@H](O)CF)nn2)cc1 2122750310 DMUBZHXDYPXMKN-NSHDSACASA-N 266.276 0.770 10 10 CCCE CC[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@H]1O 1633381237 DVHZGNUANWRLBF-ZWNOBZJWSA-N 265.309 0.870 10 10 CCCE NC[C@]12C[C@@H]1CC[C@H]2NC(=O)c1ccc(O)c(O)c1 2132141733 QEFIAUZEMCNZJO-MRCXROJRSA-N 262.309 0.955 10 10 CCCE C[C@H]1C[S@](=O)CCN1C(=O)c1cc(O)c(O)c(O)c1 2132393700 ZKIHUKGAVVIXTP-ZDVLTJLQSA-N 285.321 0.396 10 10 CCCE CCN(C)C1CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2132408843 ZZVSBCRMCWTFKI-UHFFFAOYSA-N 266.297 0.580 10 10 CCCE [N-]=[N+]=N[C@@H]1CCN(S(=O)(=O)C2CCOCC2)C1 1912168516 VAWFQTWCHAGPAS-MRVPVSSYSA-N 260.319 0.880 10 10 CCCE C[C@@H](C(=O)N1CCOCC1)N1CC[C@@H](N=[N+]=[N-])C1 1912157165 WYVYDUIKMDJLHM-VHSXEESVSA-N 253.306 0.618 10 10 CCCE C[C@H](Oc1ccc(N)cc1)C(=O)N(C)CC(=O)O 1860081869 GFQBNKCVNAERTF-QMMMGPOBSA-N 252.270 0.579 10 10 CCCE NC(=O)N1CC(NCc2ccc(Cl)cc2O)C1 1917770389 GGLREPCESBCHRU-UHFFFAOYSA-N 255.705 0.898 10 10 CCCE Cc1c(CNS(=O)(=O)Cc2ccc(N)cc2)cnn1C 226240095 WGMRVWQHGDFILS-UHFFFAOYSA-N 294.380 0.930 10 10 CCCE CN(C)[C@@H]1COC[C@H]1NCc1cc2c(cc1O)OCO2 1921760817 SSBKMQYTFASCHZ-GHMZBOCLSA-N 280.324 0.540 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N3CCC[C@@H](CO)C3)cc21 227323852 MGXDVYYILFXSKM-YGRLFVJLSA-N 275.352 0.872 10 10 CCCE O=C(CNCc1cc(Cl)ccc1O)N1CCOCC1 311618708 SAIOHINZXXMCJX-UHFFFAOYSA-N 284.743 0.994 10 10 CCCE CN1CCN(C)CC(C(=O)NCc2c(O)cccc2O)C1 1639296414 UJHQVFXSAVGCJY-UHFFFAOYSA-N 293.367 0.207 10 10 CCCE O=C1CC[C@H](CNC(=O)[C@H]2CNc3ccccc3N2)N1 229881892 JMFKCTBLRONKNR-BXKDBHETSA-N 274.324 0.287 10 10 CCCE CC(=O)c1ccc(O)c(CN2C[C@@H](O)[C@H](O)C2)c1 232459216 FHUKNWMQPBRCGN-CHWSQXEVSA-N 251.282 0.132 10 10 CCCE CN1C[C@@H](c2ccc(N(C)C)cc2)N(C)C(=O)C1=O 258621696 BMQQRXYBOMRQAP-LBPRGKRZSA-N 261.325 0.724 10 10 CCCE C[C@H]1CN([C@H](C)C(N)=O)c2cc3c(cc2N1)OCCO3 251545097 AYPBEQPFZGPDNK-DTWKUNHWSA-N 277.324 0.952 10 10 CCCE C[C@@H](N)c1ccc2c(c1)CCN2Cc1nnn(C)n1 235190385 VXWKJKQENHOAPX-SECBINFHSA-N 258.329 0.793 10 10 CCCE CO[C@@H](CNC(=O)Cc1ccc(N)cc1)[C@@H]1CCOC1 851639733 KYEPJXUHTHSLRW-OCCSQVGLSA-N 278.352 0.979 10 10 CCCE Cn1cnc(CNC(=O)COc2ccc(N)cc2)n1 236119133 PQAKNPASVYSLSJ-UHFFFAOYSA-N 261.285 0.093 10 10 CCCE NC[C@]1(O)CCCN(C(=O)Cc2ccc(N)cc2)C1 1876442563 NJZLMJYPEQRBTN-CQSZACIVSA-N 263.341 0.124 10 10 CCCE C[C@H](NC(=O)[C@]1(C)COC[C@@H]1N)c1ccccc1O 1877578720 OUKSMVVPRBGBEZ-DUFXMDAXSA-N 264.325 0.933 10 10 CCCE Cc1ccc(CN2CCN(C)[C@H](C(=O)O)C2)c(O)c1 1963048981 FMJOFKZXDBCUTM-LBPRGKRZSA-N 264.325 0.901 10 10 CCCE CO[C@H]1CCN(C(=O)Cc2ccc(N)cc2)[C@@H](CN)C1 1972008396 RXLANRGLHUBROU-KGLIPLIRSA-N 277.368 0.776 10 10 CCCE N[C@@H]1C[C@H]2CN(Cc3cc(F)ccc3O)CCN2C1=O 1972677832 UMRHBVPPKSFZCT-NWDGAFQWSA-N 279.315 0.275 10 10 CCCE NCCC[C@@H]1COCC(=O)N1Cc1ccccc1O 258056029 GZUQZLYZNUQNNA-GFCCVEGCSA-N 264.325 0.859 10 10 CCCE NCCC[C@H]1COCC(=O)N1Cc1ccccc1O 258056033 GZUQZLYZNUQNNA-LBPRGKRZSA-N 264.325 0.859 10 10 CCCE CN1CCN(Cc2ccc(C(=O)O)cc2O)CC1 258162156 QTXUBEHBXSHUQC-UHFFFAOYSA-N 250.298 0.838 10 10 CCCE CN[C@H]1CCN(C(=O)c2cccc(O)c2O)C[C@@H]1OC 2146721934 CCTXQYZPZVNGMI-JQWIXIFHSA-N 280.324 0.547 10 10 CCCE COC(=O)c1c(C)nn2c3c([nH]c12)CCS(=O)(=O)C3 259625751 KCIFSVRAPLATRN-UHFFFAOYSA-N 283.309 0.228 10 10 CCCE COc1ccc(O)c(CN2CCO[C@@H]3[C@H](C(=O)O)[C@H]32)c1 2149275057 FLHHFZFLLGZHLA-JHJVBQTASA-N 279.292 0.685 10 10 CCCE Nc1ccc(OCC(=O)N2CCN(C3CC3)CC2)cc1 40332979 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JQSACQKQFODOPO-CQSZACIVSA-N 264.325 0.695 10 10 CCCE Nc1ccc(CS(=O)(=O)Nc2nccnn2)cc1 162975976 JWWFDVVMUJOKGK-UHFFFAOYSA-N 265.298 0.396 10 10 CCCE COC[C@H]1CC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2142434069 MZGXBOXWFLGVQF-VXNVDRBHSA-N 267.281 0.958 10 10 CCCE Nc1ccc(CC(=O)NC[C@@]2(F)CNCCOC2)cc1 1876237244 GCICZEPAEWGLPV-AWEZNQCLSA-N 281.331 0.256 10 10 CCCE CCOC(=O)c1cccc(N)c1N[C@H]1COC[C@H]1N 1876463742 UWLDBCBWCUQUTH-MNOVXSKESA-N 265.313 0.584 10 10 CCCE O=C(O)[C@H]1[C@H]2C[C@H]1N(C(=O)Cc1ccc(O)c(O)c1)C2 2144021061 YGDNJUSLRLPGDE-RWEMILLDSA-N 277.276 0.572 10 10 CCCE CC(=O)C(=O)[C@H](O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 1883929392 XJWGSAYOFQKSPT-MWLCHTKSSA-N 287.312 0.141 10 10 CCCE C[C@H](O)c1ccc(N2CCOC[C@@H]2[C@@H](O)CO)cc1O 2146322768 FHPNZVCPQGTUAQ-BHYNMZESSA-N 283.324 0.004 10 10 CCCE CN(C)c1ccc(C=CC(=O)N[C@@H]2COC[C@@H]2N)cc1 2149988432 QCWLJYSHMUAMFS-UONOGXRCSA-N 275.352 0.608 10 10 CCCE O=C(NC[C@@H]1C[C@@H]2COC[C@H]2N1)c1ccc(O)c(O)c1 2153854396 NVLSSWZZWCDYEM-OUAUKWLOSA-N 278.308 0.205 10 10 CCCE CN1CCO[C@@H]2CN(c3c(F)cc(CO)cc3F)C[C@@H]21 2153982237 FIYIQZHLJYRQQI-QWHCGFSZSA-N 284.306 0.976 10 10 CCCE COCCN(C)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 48501597 XQVMQMPSDDBHSM-JTQLQIEISA-N 268.313 0.072 10 10 CCCE C[C@H](N[C@@H]1COC[C@H]1CO)c1c(O)cccc1O 2029845603 WCPINSKZVSWEOR-IVZWLZJFSA-N 253.298 0.756 10 10 CCCE Nc1ccc(CC(=O)NOCCCC(=O)O)cc1 2039425638 IZXRVMYTAFJYAE-UHFFFAOYSA-N 252.270 0.724 10 10 CCCE CNC(=O)CN1CCN(c2ccc(CO)cc2C)CC1 700786351 DBOOSHNOBBTYRP-UHFFFAOYSA-N 277.368 0.355 10 10 CCCE CCOc1cccc(CN[C@@H](C(=O)O)C2COC2)c1O 2161178459 RCOXPMUGQBMLGQ-GFCCVEGCSA-N 281.308 0.980 10 10 CCCE CC[C@H]1CNCCN1C(=O)c1cc(O)nc(O)c1 704563566 MDJAPNUNJUVYSM-VIFPVBQESA-N 251.286 0.317 10 10 CCCE CCCS(=O)(=O)N[C@H](C)C(=O)NCc1ccc(N)cc1 706008141 KSINNFPUADYPBX-SNVBAGLBSA-N 299.396 0.603 10 10 CCCE CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCCCN=[N+]=[N-] 706373265 YHCCGHPJIPJSFG-SECBINFHSA-N 289.361 0.617 10 10 CCCE CN(c1c(F)cc(CN)cc1F)[C@H]1COC[C@H]1O 709420087 HEMNZJNZAZSDBQ-WDEREUQCSA-N 258.268 0.619 10 10 CCCE CN(Cc1cn(C)nn1)c1ccc2c(c1)NC(=O)[C@@H]2N 689257978 ZHQCUCSZHHHTJV-GFCCVEGCSA-N 272.312 0.403 10 10 CCCE C[C@@H](C(N)=O)N(C)c1cc2c(cc1Cl)[C@@H](O)C(=O)N2 711136693 RKJXRQFZETZBJK-XUOSJQGZSA-N 283.715 0.636 10 10 CCCE N=c1nc(COc2ccc(N)cc2)[nH]c(=NC2CC2)[nH]1 380347290 XIVZEVXTMXPMLF-UHFFFAOYSA-N 272.312 0.442 10 10 CCCE NC(=O)[C@@]1(O)CCCN(CCc2ccc(N)cc2)C1 381800293 DUBMGGHZSOMUTI-CQSZACIVSA-N 263.341 0.124 10 10 CCCE C[C@@H](N)c1ccc(N2CCC(CO)(CO)C2)cc1O 694712225 HRKKXTULWXSHJR-SNVBAGLBSA-N 266.341 0.593 10 10 CCCE CNCc1ccc(N2CC[C@](O)(C(N)=O)C2)cc1Cl 388898079 KNLRTXKVACSYJJ-CYBMUJFWSA-N 283.759 0.486 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NCC[C@H]1COC[C@@H]1O 2167593716 YKIRNTZYQFWSFF-GWCFXTLKSA-N 281.308 0.154 10 10 CCCE CN[C@@H](C)c1ccc(N2CC3(CNC(=O)C3)C2)cc1O 2176159503 IBZJKIZXMGFIKQ-JTQLQIEISA-N 275.352 0.999 10 10 CCCE O[C@@H]1[C@H](O)[C@H]2CC[C@@]1(NCc1ccc3c(c1)CCO3)C2 2176912704 CHECLVWVXGNTJN-LCGIIJARSA-N 275.348 0.985 10 10 CCCE COc1cc(N)c(N2C[C@H]3NC(=O)O[C@@H]3C2)cc1OC 2176921187 PRGYVZYETCGQHG-PRHODGIISA-N 279.296 0.583 10 10 CCCE O=C1NC(=O)[C@]2(CCN(Cc3c(O)cccc3F)C2)N1 2170620005 YJXXIQQBJDDBSQ-CYBMUJFWSA-N 279.271 0.315 10 10 CCCE CCc1nn2c(O)cc(CC(=O)O)nc2c1C(=O)O 2080935693 VNFLBWKSHBFXQV-UHFFFAOYSA-N 265.225 0.323 10 10 CCCE [N-]=[N+]=NCCN[C@@H](C(N)=O)c1cccc2c1OCCO2 2177748916 GFOXWNRPMHAXES-SNVBAGLBSA-N 277.284 0.884 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CC[C@H]2CCN[C@@H]2C1 2188922845 ILDJKCWPTLGKIP-PSASIEDQSA-N 278.308 0.627 10 10 CCCE CN[C@H](C)[C@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)C1 2188916634 QVEANHQPGFNKCE-BDAKNGLRSA-N 280.324 0.873 10 10 CCCE CNC(=O)[C@@H]1COCCN1c1ccc2c(c1)CC[C@H]2N 2184726570 KNQRWNIMRMRHLB-KGLIPLIRSA-N 275.352 0.584 10 10 CCCE Nc1ccc(NC(=O)N[C@@H]2C[C@H](O)C[C@@H]2O)cc1 2046482060 FYEBWGUVSXNYPV-AXFHLTTASA-N 251.286 0.275 10 10 CCCE Nc1ccc(OCCC(=O)N[C@@]2(CF)CCNC2)cc1 2191661533 HMUGMRDYUMYZRX-CQSZACIVSA-N 281.331 0.856 10 10 CCCE Nc1ccc(OCCS(=O)(=O)NC[C@@H]2CCCN2)cc1 2191626589 RLVAOGKADWECEZ-LBPRGKRZSA-N 299.396 0.319 10 10 CCCE CCN[C@@H]1CC[C@@H]1NC(=O)c1cccc(O)c1O 2053079941 DKLLDSCVDCAPIQ-ZJUUUORDSA-N 250.298 0.968 10 10 CCCE C[C@H](O)[C@H](NC(=O)N(C)Cc1ccccc1O)C(=O)O 2192570402 QXBVSOXMYWLNCC-KWQFWETISA-N 282.296 0.368 10 10 CCCE O=C(N[C@@H](C(=O)O)C1(O)CCC1)c1cccc(O)c1O 2188014660 UETXNVJBCBMXIU-JTQLQIEISA-N 281.264 0.196 10 10 CCCE CO[C@H]1C[C@H]1CNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 2188222820 SADYLKLPCVMUFJ-KWBADKCTSA-N 280.324 0.119 10 10 CCCE CCN(C[C@H](C)N)C(=O)COc1ccc(N)cc1 2071679867 CBUXQNSFKCFEAX-JTQLQIEISA-N 251.330 0.843 10 10 CCCE COC1(OC)CN(C(=O)c2cccc(O)c2O)C1 2074605795 OFGKAUGLRYKZGZ-UHFFFAOYSA-N 253.254 0.543 10 10 CCCE CCc1cccc(CNCCCNS(N)(=O)=O)c1O 2101326534 MHTVXLZNUAHXCV-UHFFFAOYSA-N 287.385 0.227 10 10 CCCE Oc1ccc(CN[C@]23COC[C@@H]2C3(F)F)c(O)c1O 2105564354 SKYBTECMQUAQAV-GZMMTYOYSA-N 273.235 0.927 10 10 CCCE O=S(=O)(Nc1ccc(O)c(F)c1)N1CCC[C@H]1CO 2105595717 WGEWFCBMIWLMIJ-VIFPVBQESA-N 290.316 0.645 10 10 CCCE C[C@H](O)c1ccc(N2CCOC[C@H]2[C@H](O)CO)cc1 2090137992 FLUOICDXLJUVST-LEWSCRJBSA-N 267.325 0.298 10 10 CCCE CCN[C@@H](c1ccccc1O)[C@@H](O)c1ncnn1C 2096958507 IFTJMKMZYOZQFS-NWDGAFQWSA-N 262.313 0.905 10 10 CCCE C[C@H](c1cc(O)ccc1O)N1C[C@@H](C(=O)O)C[C@@H](O)C1 2201052662 ZTYOCQHNABGZBP-WCABBAIRSA-N 281.308 0.926 10 10 CCCE CNCc1ccc(N2CCOC[C@H](CO)C2)cc1OC 2204546057 XGMHAMFQYJDKAS-LBPRGKRZSA-N 280.368 0.860 10 10 CCCE CCOc1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CF)cc1 2219583547 ZVNKYOUQYPLBJJ-RWMBFGLXSA-N 255.289 0.965 10 10 CCCE COc1ccc(N(C)[C@H]2COC[C@H]2O)c(CN)c1 2220409448 OSFNBSDBFCPFHX-QWHCGFSZSA-N 252.314 0.350 10 10 CCCE COc1ccc(N2C[C@@H](O)[C@H](O)CC2(C)C)c(CN)c1 2235956715 ZCZAXYTVEODADQ-ZIAGYGMSSA-N 280.368 0.864 10 10 CCCE Nc1ccc(NC(=O)CN2C[C@@H](F)C[C@@H](O)C2)cc1 2226288842 UVZGDLBGTBMJKN-JOYOIKCWSA-N 267.304 0.612 10 10 CCCE COc1ccc(N2CCOC[C@]2(C)CO)c(CO)c1 2227711182 MWBUIMABZYOIOQ-AWEZNQCLSA-N 267.325 0.775 10 10 CCCE CSc1ncc(CNC[C@@]2(O)CCNC2)s1 2243854685 HQRGBDJGIUXTPV-SNVBAGLBSA-N 259.400 0.679 10 10 CCCE CSc1ncc(CNC(=O)[C@H]2CCOC[C@@H]2N)s1 2256945649 ADFNTMRRHKUALR-IUCAKERBSA-N 287.410 0.845 10 10 CCCE Nc1ccc(CCN2CC[C@@H](O)[C@H](O)CC2)cc1 2256970711 VKQSQWAIPONCAW-ZIAGYGMSSA-N 250.342 0.629 10 10 CCCE Cc1cc(N2C[C@@H](O)C[C@@H](O)C2)ccc1[C@@H](C)O 2257477174 PKCLKMNDQXTUIF-RTXFEEFZSA-N 251.326 0.980 10 10 CCCE C[C@@H](CF)N(C)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 2270254224 QTANQBSGKYRWOX-WPRPVWTQSA-N 270.304 0.784 10 10 CCCE O=S(=O)(CCNCc1ccc(O)c(O)c1)C1CC1 2261325640 LAQARTRQHMEVNU-UHFFFAOYSA-N 271.338 0.765 10 10 CCCE O=C1C[C@@H](NCc2cc3c(cc2O)OCO3)CO1 2264189940 OOLSKOUGKVZLMS-MRVPVSSYSA-N 251.238 0.526 10 10 CCCE COc1ccc(N2C[C@H](O)[C@H](O)[C@H]2CO)c(C)c1C 2269110674 PNSCLDFOUSLCLT-MBNYWOFBSA-N 267.325 0.215 10 10 CCCE COc1cccc(CN2C[C@@H](O)CC[C@H]2C(=O)O)c1O 2279208234 VQSWGKKVPZWJTI-QWRGUYRKSA-N 281.308 0.811 10 10 CCCE NC(=O)C[C@@H]1CCCN1c1ccc(CO)cc1[N+](=O)[O-] 2285586230 YWIMWDGSYGULNJ-JTQLQIEISA-N 279.296 0.931 10 10 CCCE C[C@H](O)c1ccc(N2CC([C@H](O)CO)C2)c(F)c1 2315278820 PXAQIGUEMIQNCX-ISVAXAHUSA-N 255.289 0.668 10 10 CCCE N[C@@H](CCF)C(=O)N1CCc2cc(O)c(O)cc2C1 2341151341 CVRVGFWRSPXVRC-JTQLQIEISA-N 268.288 0.669 10 10 CCCE C[C@H](c1ccccc1O)N1CCNC[C@@H]1CC(N)=O 2343305218 PMZQIACNRZWBKQ-MNOVXSKESA-N 263.341 0.602 10 10 CCCE Cn1nccc1CNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 71334775 UDHJNVHIZFHITD-NSHDSACASA-N 290.323 0.018 10 10 CCCE Nc1cc2c(cc1N1CCn3cnnc3C1)CCC(=O)N2 81134115 ZBUMHFUHIGQFPG-UHFFFAOYSA-N 284.323 0.765 10 10 CCCE COc1cc(C2([C@@H](N)C(=O)O)CC2)cc(O)c1O 1952723788 KNNQFWAUNBWLNT-JTQLQIEISA-N 253.254 0.550 10 10 CCCE C[C@H]1COC[C@H](C(=O)O)N1C(=O)c1ccc(O)c(O)c1 2168270261 BPDPYMBXFYIEMS-IONNQARKSA-N 281.264 0.412 10 10 CCCE CN(C(=O)CCc1ccc(N)cc1)[C@H]1C[C@@H](C(N)=O)C1 703507762 HIFDDVWYHCNXKG-BJHJDKERSA-N 275.352 0.924 10 10 CCCE CO[C@H]1C[C@@H](O)CN(c2ccc(CO)cc2[N+](=O)[O-])C1 2165325758 HTBWFOJJYQCLHK-MNOVXSKESA-N 282.296 0.673 10 10 CCCE CN1CCO[C@@H](C(=O)N2CCC[C@@H](CN=[N+]=[N-])C2)C1 2131265902 JBZLSVMYWIEMLH-WDEREUQCSA-N 267.333 0.866 10 10 CCCE CNC(=O)N1CCN(c2ccc(CO)c(C)c2)CC1 721686955 NWADUWXASSSIQT-UHFFFAOYSA-N 263.341 0.949 10 10 CCCE CN[C@@H](C)C[C@@H](C)CNC(=O)c1cc(O)nc(O)c1 721630845 IAKVPGKHDNAUFX-BDAKNGLRSA-N 267.329 0.857 10 10 CCCE O=C(C[C@@H]1CC(=O)N1)NCc1c(O)cccc1F 928706207 OVLDTLGQCRXANN-SSDOTTSWSA-N 252.245 0.426 10 10 CCCE C[C@H](NC(=O)N[C@H]1CCNC1=O)c1ccccc1O 868758061 KYSQCEZRKNUEET-WPRPVWTQSA-N 263.297 0.641 10 10 CCCE Oc1ccccc1CN1CCN(c2nccnn2)CC1 862436769 KKMCWVBVGJYKRC-UHFFFAOYSA-N 271.324 0.899 10 10 CCCE C[C@@H](NCC(=O)NC(N)=O)c1ccc(N(C)C)cc1 775838334 XDGBGDZGAIINPO-SECBINFHSA-N 264.329 0.598 10 10 CCCE Oc1cc2c(c(O)c1O)CCN[C@H]2[C@@H]1CSCN1 75819147 DTSYUUNUDKIJJQ-WCBMZHEXSA-N 268.338 0.653 10 10 CCCE N[C@@H](c1nnc(-c2nc[nH]n2)o1)c1cccc(O)c1O 83539917 AJEJJMGTCYEILG-SSDOTTSWSA-N 274.240 0.314 10 10 CCCE CC[C@@H](N)c1ccc(N2CC(NS(C)(=O)=O)C2)cc1 703149993 CPOGDWJICWVOMJ-CYBMUJFWSA-N 283.397 0.834 10 10 CCCE CN(C)c1ccc(CN2CCNC[C@@H]2C(=O)O)cc1 88658693 DNKVVAINKWLYDE-CYBMUJFWSA-N 263.341 0.611 10 10 CCCE COc1cccc(CNCCc2ncn(C)n2)c1O 95016050 AVECZARZWJHBAF-UHFFFAOYSA-N 262.313 0.862 10 10 CCCE C[C@@H]1CNC[C@H](CNC(=O)c2cc(O)nc(O)c2)C1 2115925138 NUFRNYZLFDXRBU-DTWKUNHWSA-N 265.313 0.468 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N(C)C3(CO)CC3)ccc21 2128185503 HXDWWWGBUOBISE-LBPRGKRZSA-N 261.325 0.860 10 10 CCCE N[C@@H]1CCCc2cc(N3CC(=O)NC(=O)C3)ccc21 2128279179 MKXJVQRJGLXPNO-GFCCVEGCSA-N 259.309 0.486 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC[C@@H](C2(O)CC2)C1 2130438343 OJLJXLQTIINNMK-SECBINFHSA-N 264.281 0.480 10 10 CCCE CN(C(=O)c1cc(O)c(O)c(O)c1)c1ccnn1C 2132402962 GUTWNXVAZQIMEU-UHFFFAOYSA-N 263.253 0.814 10 10 CCCE CO[C@H](C(=O)N1CC(N=[N+]=[N-])C1)[C@@H]1CCCOC1 1912196662 MLVDEGUFEQAFRH-SCZZXKLOSA-N 254.290 0.949 10 10 CCCE COC(=O)[C@@](C)(NCCN=[N+]=[N-])c1ccn(C)n1 1912155843 MQFBWRWLWAMEPJ-JTQLQIEISA-N 252.278 0.708 10 10 CCCE CN(CCCN=[N+]=[N-])C[C@@H](O)CN1CCOCC1 1912163866 OXKODMNMYIZWTR-LLVKDONJSA-N 257.338 0.312 10 10 CCCE CC[C@H](C)[C@H](NC(=O)CN1CC(N=[N+]=[N-])C1)C(=O)OC 1912200796 LNOIEZQEXPYGMC-KWQFWETISA-N 283.332 0.685 10 10 CCCE NC(=O)NC[C@@H]1CCCCN1C(=O)c1cccc(O)c1O 1292698285 MTOLQURBGLTABY-VIFPVBQESA-N 293.323 0.761 10 10 CCCE Cn1ccc(=O)n(CCOc2ccc(N)cc2)c1=O 111545692 QPLFMLFOSLICIX-UHFFFAOYSA-N 261.281 0.208 10 10 CCCE CCCc1c(C(=O)[C@@H]2CCCC(=O)C2=O)nnn1C 1923530274 DKKLKXFVWCDEJW-MRVPVSSYSA-N 263.297 0.889 10 10 CCCE C[C@@H](O)[C@H](O)CNC(=O)c1ccc(N=NC(N)=O)cc1 1630815546 PIOPARHMNQTFEU-GMSGAONNSA-N 280.284 0.321 10 10 CCCE CC(C)(CC(N)=O)NC(=O)c1ccc(O)c(O)c1 230670791 XFBURRWKKWALBH-UHFFFAOYSA-N 252.270 0.482 10 10 CCCE Cn1nnc(NC(=O)/C=C\c2ccc(O)c(O)c2)n1 1645815236 KMPMAUQRHVCYTL-HYXAFXHYSA-N 261.241 0.273 10 10 CCCE Cc1nc(CN(C)C(=O)Cc2ccc(O)c(O)c2)no1 1598089293 HBWDJLRSHZYEQZ-UHFFFAOYSA-N 277.280 0.990 10 10 CCCE COc1cc(N2CC(=O)NCC2(C)C)ccc1CN 2139682410 HJGILYBJOHOPSS-UHFFFAOYSA-N 263.341 0.869 10 10 CCCE CN(C)c1ccc(CNC[C@@H](O)CC(=N)NO)cc1 2139692715 OJBWLDVTDJLORN-LBPRGKRZSA-N 266.345 0.549 10 10 CCCE COc1cc(N2C[C@H]3C[C@H]2[C@@H](O)[C@H]3O)ccc1CO 2139700319 ILXWDTDAJLUZIS-DGFQIJBJSA-N 265.309 0.118 10 10 CCCE COc1ccc(N2CC[C@@H](C)NC(=O)[C@@H]2CN)cc1 252125270 JZIPHXPQYUYHKF-MFKMUULPSA-N 263.341 0.737 10 10 CCCE Nc1ccc(NC(=O)CCCN2C[C@H](O)[C@@H](O)C2)cc1 236374490 DBGRXACEDNKJOX-STQMWFEESA-N 279.340 0.025 10 10 CCCE Nc1ccc(CC(=O)N2CCO[C@H]3COCC[C@@H]32)cc1 2143771185 HUIJGPUUNRIBES-KBPBESRZSA-N 276.336 0.828 10 10 CCCE c1cc2c(cc1CN[C@H]1CCn3nnnc3C1)CCO2 1875667686 VUFNDDRVNADGCM-LBPRGKRZSA-N 271.324 0.713 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CCC[C@H]2C[C@@]21C(=O)O 2143909295 YOKLRCHLVLXDRV-SDBXPKJASA-N 278.264 0.572 10 10 CCCE C[C@H](NC(=O)[C@@H]1OCC[C@@H]1CN)c1ccccc1O 1877589683 OBTJNXHWBIMKEY-OPQQBVKSSA-N 264.325 0.933 10 10 CCCE CC1([C@@H](N)C(=O)NCCc2ccc(O)c(O)c2)CC1 1968739739 VYGGYBACKCQVRQ-LBPRGKRZSA-N 264.325 0.884 10 10 CCCE Cc1cc(NS(=O)(=O)c2cnc(O)nc2O)ccc1O 2145851072 PLICLZQCWOVYCT-UHFFFAOYSA-N 297.292 0.703 10 10 CCCE C[C@]1(NC(=O)c2cc(O)nc(O)c2)CCC[C@H]1C(=O)O 2146795242 KVOXLLRAXXPAKY-SDBXPKJASA-N 280.280 0.866 10 10 CCCE C[C@H](C[C@@H]1COCCN1)NCCc1ccc(O)c(O)c1 2148014273 AHXKQAONHZIDAJ-DGCLKSJQSA-N 280.368 0.997 10 10 CCCE NC[C@H]1CC[C@H](C(=O)NCCc2ccc(O)c(O)c2)O1 2148003696 KDHXGVXJZZSGTI-ZWNOBZJWSA-N 280.324 0.263 10 10 CCCE COC[C@]1(O)CCN(CC(=O)Nc2ccc(N)cc2)C1 2151887442 WMPQNZHDNBYUDY-AWEZNQCLSA-N 279.340 0.291 10 10 CCCE NCCN(CCN)c1cc2c(cc1[N+](=O)[O-])OCCO2 2152186653 LARSEVBBNZEHLH-UHFFFAOYSA-N 282.300 0.090 10 10 CCCE CO[C@@H]1CCN(c2cnn(CCN=[N+]=[N-])c(=O)c2)C1 165310516 NYMSWEPIJZIQDR-SNVBAGLBSA-N 264.289 0.779 10 10 CCCE CN1CCN(c2cnn(CCN=[N+]=[N-])c(=O)c2)CC1 165308567 FSNLZTIHWBWVMA-UHFFFAOYSA-N 263.305 0.305 10 10 CCCE NC[C@H]1C[C@H]1NS(=O)(=O)Cc1ccc(N)cc1 2016968826 CMENOIODLNTUEI-MWLCHTKSSA-N 255.343 0.035 10 10 CCCE C[C@@H](N[C@H](CO)CCCO)c1c(O)cccc1O 2029922079 KERARSMZSOPCMN-ZJUUUORDSA-N 255.314 0.882 10 10 CCCE CCOC(=O)CS(=O)(=O)N(CC)c1ccc(N)cc1 63114398 TXMOOSMJINZVRM-UHFFFAOYSA-N 286.353 0.988 10 10 CCCE CO[C@H]1CN(CC(=O)Nc2ccc(N)cc2)C[C@@H]1OC 300172077 BHKIQMZMHOHXRX-STQMWFEESA-N 279.340 0.553 10 10 CCCE Cc1cc(CO)ccc1N(CCO)CCN(C)C 2038018125 ZFWHVJBWKUJQPA-UHFFFAOYSA-N 252.358 0.848 10 10 CCCE Nc1ccc(OCC(=O)N[C@@H]2CO[C@H]3COC[C@H]23)cc1 2158044362 VTFWBVNVIAJGFS-UPJWGTAASA-N 278.308 0.178 10 10 CCCE NCc1ccc(N2CCN3C[C@H](O)C[C@H]3C2)c(F)c1 405284478 VHXFVKNZEIOGNQ-NWDGAFQWSA-N 265.332 0.540 10 10 CCCE CCCN1CCN(C(=O)Cc2ccc(N)cc2)CC1=O 2158781623 CASDOTOQCMFZMN-UHFFFAOYSA-N 275.352 0.892 10 10 CCCE Cc1cc(N2CC(N3CCN(C)CC3)C2)ccc1CO 700523723 XJWXVCUTBZQMMH-UHFFFAOYSA-N 275.396 0.923 10 10 CCCE CN(CC(=O)NCc1ccc(N)cc1)c1ncccn1 700995146 BEXPSZOGOBCQEC-UHFFFAOYSA-N 271.324 0.811 10 10 CCCE CO[C@@H]1C[C@H](CO)N(CCOc2ccc(N)cc2)C1 381787255 ZLMTURFVTJFSRT-TZMCWYRMSA-N 266.341 0.729 10 10 CCCE C[C@H](N)c1ccc(N2C[C@H]3C(=O)NC(=O)[C@H]3C2)cc1 386840719 UDOMQHGVXJCQMM-KPXOXKRLSA-N 259.309 0.415 10 10 CCCE C[C@@H](c1ccccc1O)N(C)S(=O)(=O)CCON 722241722 PWQHBBMEMVWSSS-VIFPVBQESA-N 274.342 0.605 10 10 CCCE O=C(NCc1cc(Cl)ccc1O)[C@@H]1CCS1(=O)=O 2064104014 WDOTXCZBUNKSTI-JTQLQIEISA-N 289.740 0.849 10 10 CCCE Nc1cc2c(cc1N1CCn3ncnc3C1)OCCO2 2170405197 HWFQKFMCJGRMOH-UHFFFAOYSA-N 273.296 0.652 10 10 CCCE Nc1ccc(CC(=O)N2C[C@@H]3C[C@H](C2)[C@H](O)[C@H]3O)cc1 2182529398 IGHKGDSPOBMHQS-JLUCKKNBSA-N 276.336 0.011 10 10 CCCE NC(=O)[C@H]1COCCN1c1ccc2c(c1)CCC[C@H]2O 2184686274 GFRNCPWRXBIFSX-ZIAGYGMSSA-N 276.336 0.747 10 10 CCCE C[C@H](O)c1ccc(N2C[C@@H](O)C[C@H](O)C2)c(F)c1 2043181694 JSWBQSMMYWLEPJ-LSJOCFKGSA-N 255.289 0.811 10 10 CCCE COC(=O)[C@@]1(NCCN=[N+]=[N-])COCCC1(F)F 2049269729 FCZVDGQPEUSNTG-QMMMGPOBSA-N 264.232 0.854 10 10 CCCE Nc1cc2c(cc1N1C[C@H](N)[C@@H]3COC[C@@H]31)OCCO2 2191569703 AOTAUVVJWUDPAS-PEXQALLHSA-N 277.324 0.202 10 10 CCCE C[C@H](N)[C@@H](C)NC(=O)c1ccn(-c2ccc(N)cc2)n1 2191749714 MVAKWNYNQBFRNF-VHSXEESVSA-N 273.340 0.920 10 10 CCCE C[C@@H](O)CNCCNC(=O)CCOc1ccc(N)cc1 2191752828 XOUFLNPLUIXWBF-LLVKDONJSA-N 281.356 0.124 10 10 CCCE O=C1NCC2(CN(c3ccc(CO)cc3F)C2)N1 2057540499 QYARMPGQBZCSON-UHFFFAOYSA-N 251.261 0.190 10 10 CCCE C[C@H](CO)CS(=O)(=O)N(C)Cc1ccccc1O 2063622676 JSLBWNGNRKUYMJ-SNVBAGLBSA-N 273.354 0.782 10 10 CCCE CO[C@@H]1C[C@H](NCc2cc3c(cc2O)OCO3)C[C@@H]1O 2187369702 ANNYZGVORAWSDV-ADEWGFFLSA-N 281.308 0.749 10 10 CCCE C[C@@H](NS(=O)(=O)N1CCC(N)CC1)c1ccccc1O 2192631393 HJYQQNAFGJJRNH-SNVBAGLBSA-N 299.396 0.711 10 10 CCCE CNC[C@@H](C)CNC(=O)COc1ccc(N)cc1 2071725062 PXWGUYKEAZAKQJ-SNVBAGLBSA-N 251.330 0.619 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)C[C@H]2CC(F)(F)CN2)C1 2080219125 WABGMBDKEWOMRG-CIUDSAMLSA-N 260.284 0.639 10 10 CCCE COc1ccc([C@H](NCCN=[N+]=[N-])C(N)=O)c(C)n1 2100828712 BWWUMEGQDZDGIM-JTQLQIEISA-N 264.289 0.825 10 10 CCCE CCCOc1cc(N2CC(NC(N)=O)C2)ccc1N 2106924683 SZHLJLXIOSPSLH-UHFFFAOYSA-N 264.329 0.915 10 10 CCCE CN[C@H](c1ccccc1O)[C@]1(O)CCOC[C@H]1OC 2091865898 CDKUPHQTNTVHDW-MCIONIFRSA-N 267.325 0.819 10 10 CCCE N[C@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1 2094905830 CJXNDDGYFMPKOV-OWUUHHOZSA-N 263.297 0.587 10 10 CCCE Nc1ccc(NC(=O)CN2C[C@@H](O)C(F)(F)C2)cc1 2095745901 NZFLRRYNYBKISC-SNVBAGLBSA-N 271.267 0.519 10 10 CCCE COc1cc(N2CC(O)(CO)C2)ccc1CNC(C)C 2204543076 IRMJQLHXLUXNMG-UHFFFAOYSA-N 280.368 0.737 10 10 CCCE COc1ccc2c(c1)NC(=O)[C@@H]1[C@@H](OC)[C@H](OC)CN21 2205450795 PRQSMMUUMPMALD-AGIUHOORSA-N 278.308 0.866 10 10 CCCE Cc1cc(NS(=O)(=O)C[C@@H](N)C(=O)O)c(C)cc1O 2270497472 BCFADRHNTLBVLB-MRVPVSSYSA-N 288.325 0.163 10 10 CCCE Cc1cc([C@H](C)N)ccc1N1CC[C@H](O)[C@H](O)C1 2223927859 KMUDKDWYEMUXKC-LEWSCRJBSA-N 250.342 0.947 10 10 CCCE [N-]=[N+]=NCC1(CNC(=O)[C@H]2CC[C@H](C(=O)O)O2)CC1 2225791899 IHNGOQDGYWQORS-HTQZYQBOSA-N 268.273 0.825 10 10 CCCE CCn1nnc(CN(C)c2ccc(OC)cc2CN)n1 2235969868 JTXBTENCSWUCPO-UHFFFAOYSA-N 276.344 0.797 10 10 CCCE COc1ccc(N2C[C@@H]3NC(=O)O[C@@H]3C2)c(CN)c1 2227682788 RGRSMENLJRNNRZ-CMPLNLGQSA-N 263.297 0.451 10 10 CCCE CN(C)c1ccc(O[C@]2(C(=O)O)CCS(=O)(=O)C2)cc1 2237705006 QRMPBYNYGIFZAN-CYBMUJFWSA-N 299.348 0.773 10 10 CCCE COc1ccc(N(C)CCn2cncn2)c(CO)c1 2227710022 APPFOEQUWBOPPK-UHFFFAOYSA-N 262.313 0.915 10 10 CCCE Cc1c(S(=O)(=O)Nc2ccc(O)c(N)c2)cnn1C 2227838878 SUNURYQGXLMWGC-UHFFFAOYSA-N 282.325 0.817 10 10 CCCE CNC1(C(N)=O)CN(c2ccc(OC(F)F)cc2)C1 2278495970 XLPLNQQWUSUDNC-UHFFFAOYSA-N 271.267 0.552 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2C(N)=O)C1 2256343389 DLPZNBXVGHXMOH-DJLDLDEBSA-N 251.290 0.657 10 10 CCCE Cc1cc(N2CC[C@@H](O)[C@@H](O)C2)ccc1[C@@H](C)O 2257480894 WZGDHQVQXZQYJD-HONMWMINSA-N 251.326 0.980 10 10 CCCE NCc1ccc(N2CC[C@@H]2[C@H](O)CO)c(Cl)c1 2249580791 YTBRILQKDXNSOQ-VXGBXAGGSA-N 256.733 0.731 10 10 CCCE C[C@H]1[C@@H](O)CCN1C(=O)[C@@H]1CNc2ccccc2N1 2273245092 SLCKJNKIKAVASY-XDTLVQLUSA-N 261.325 0.874 10 10 CCCE Nc1ccc(OCC(=O)NCC[C@@H]2CCO2)cc1 2263977507 STEYNONHSKLAKP-GFCCVEGCSA-N 250.298 0.943 10 10 CCCE NCc1ccc(N2CC3(CNC(=O)CO3)C2)c(Cl)c1 2274018262 ONEGMDVECFZGJO-UHFFFAOYSA-N 281.743 0.504 10 10 CCCE Nc1ccc(CN=c2ccn3ncc(N)c3[nH]2)cc1 2278466669 PKMUIJBAVDHWLA-UHFFFAOYSA-N 254.297 0.928 10 10 CCCE Nc1ccc(OCCC(=O)N[C@H]2COC(=O)C2)cc1 2278799323 QXQKMPKYOTYSPO-SNVBAGLBSA-N 264.281 0.469 10 10 CCCE CN(C(=O)c1cccc(O)c1O)[C@@H]1COC2(COC2)C1 2286257173 DCSJENASTFUPAU-VIFPVBQESA-N 279.292 0.728 10 10 CCCE O=S1(=O)C[C@@H]2CN(c3ccc(CO)cc3)C[C@H]21 2299756105 IIVFKRKMMMYCMF-CMPLNLGQSA-N 253.323 0.412 10 10 CCCE C[C@H]1CNC[C@H](CNC(=O)c2cc(O)c(O)c(O)c2)C1 1219656924 FHGOFYNZTHGZMB-RKDXNWHRSA-N 280.324 0.779 10 10 CCCE COc1cc(N2C[C@@H]3C[C@H]2[C@H](O)[C@@H]3O)ccc1CO 2333187810 ILXWDTDAJLUZIS-VMXABPDPSA-N 265.309 0.118 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CCOC[C@@H](F)C1 2336666133 RLGPWTKZZMTLSV-QMMMGPOBSA-N 271.244 0.614 10 10 CCCE Cc1c([C@H](C)O)ccc(N2CC(=O)NC(=O)C2)c1C 2340852496 YMIGQTFJNNETQB-JTQLQIEISA-N 262.309 0.820 10 10 CCCE COCC1(O)CC(C(=O)NCC2(CN=[N+]=[N-])CC2)C1 2343908181 UDLJVTWPVGMQOK-UHFFFAOYSA-N 268.317 0.981 10 10 CCCE COC[C@]1(CO)C=CCN1Cc1cc(N)ccc1O 2351718290 FDTBKBZHZJYTGK-CQSZACIVSA-N 264.325 0.724 10 10 CCCE COc1ccc([C@@H](C)N[C@@H]2CCO[C@@H]2C(N)=O)c(O)c1 2355405104 RPGYRHKAOQUFAS-DYLAAIIWSA-N 280.324 0.694 10 10 CCCE CN(C(=O)[C@@H](N)Cc1ccc(O)c(O)c1)C(C)(C)C(=O)O 61150902 WOIVSOKXOKIIPR-VIFPVBQESA-N 296.323 0.289 10 10 CCCE CCN(C(=O)c1cccc(O)c1O)[C@@H]1CCNC1 126096975 KXLDEKDPVPHLBA-SECBINFHSA-N 250.298 0.922 10 10 CCCE CN(C)NS(=O)(=O)CCOc1ccc(N)cc1 214794021 KGVIFSRYGFJLSZ-UHFFFAOYSA-N 259.331 0.044 10 10 CCCE Nc1ccc(OCC(=O)N2CCC(OCCO)CC2)cc1 128731400 AQJJGLQNSTUYTR-UHFFFAOYSA-N 294.351 0.648 10 10 CCCE CNCc1ccc(N2CC(CNC(N)=O)C2)c(C)c1 2130731866 NJGKXQXPQKPPCY-UHFFFAOYSA-N 262.357 0.819 10 10 CCCE C[C@@H](c1ccc(O)cc1O)N1CCO[C@@H](C(=O)O)C1 226451457 GFWDLFGMEMPVPQ-QPUJVOFHSA-N 267.281 0.944 10 10 CCCE C[C@@H]1OCC[C@@H]1NS(=O)(=O)Cc1ccc(N)cc1 149151228 YMZASYVTFAWNKV-CABZTGNLSA-N 270.354 0.866 10 10 CCCE CN(CCS(C)(=O)=O)Cc1cc(N)ccc1O 94297429 XGVBRXPSQYBLAA-UHFFFAOYSA-N 258.343 0.451 10 10 CCCE C[C@H](C(=O)Nc1ccc(N)cc1)N1CC(C(N)=O)C1 381957760 ATZHYEKUJVBAJP-MRVPVSSYSA-N 262.313 0.013 10 10 CCCE COc1ccc(N2CCN(C3CNC3)CC2)cc1OC 2162636708 QSKBSVVAAZEAAE-UHFFFAOYSA-N 277.368 0.798 10 10 CCCE CCN(C(=O)C1=C[C@@H](O)[C@@H](N)C1)c1cccc(O)c1 2131477060 NRZSACMQBRWULJ-QWHCGFSZSA-N 262.309 0.763 10 10 CCCE CNCCCNC(=O)[C@@H](N)c1cccc(OC)c1O 83495152 RCJMEXCLYAMBEF-NSHDSACASA-N 267.329 0.126 10 10 CCCE CS(=O)(=O)N1CCCN(CCCN=[N+]=[N-])CC1 703177031 USZFPCXWTCFVKL-UHFFFAOYSA-N 261.351 0.654 10 10 CCCE Nc1ccc(N2CCN(C(=O)[C@H]3CCOC3)CC2)cc1 40941434 VONPZAQHONZATB-LBPRGKRZSA-N 275.352 0.954 10 10 CCCE CC[C@H]1NCC[C@@H]1NC(=O)c1cc(O)nc(O)c1 704608647 MXAZTADYWHWWPV-BDAKNGLRSA-N 251.286 0.363 10 10 CCCE C[C@@H](c1ccccc1O)N1CCN(CC(=O)O)C(=O)C1 705750274 CZTVJFJVSRWSEA-JTQLQIEISA-N 278.308 0.682 10 10 CCCE C[C@@H](ONC(=O)CCc1ccc(N)cc1)C(=O)O 709057410 IGEMQQSJXHPEDN-MRVPVSSYSA-N 252.270 0.722 10 10 CCCE CCN(CCS(C)(=O)=O)c1ccc2c(c1)NC(=O)[C@H]2O 688521985 ZIBBBKCLSPIKQA-LBPRGKRZSA-N 298.364 0.543 10 10 CCCE O=C(c1cccc(O)c1O)N1CCC[C@@H](CO)[C@@H]1CO 709866317 ICOUBXGBHARBFF-ONGXEEELSA-N 281.308 0.303 10 10 CCCE CCc1cccc(CNCCN(C)S(C)(=O)=O)c1O 692448271 CGOHBMSZWMETDP-UHFFFAOYSA-N 286.397 0.936 10 10 CCCE COc1ccc(N2CC(N3CCN(C)CC3)C2)c(N)c1 697993373 SDRVKKKJJIQKQV-UHFFFAOYSA-N 276.384 0.713 10 10 CCCE C[C@H](c1ccccc1O)N(C)C(=O)C1(O)CC(N)C1 2127756326 VZAMSZSAYRRTHB-NAUIOFCNSA-N 264.325 0.764 10 10 CCCE N[C@@H]1CCc2cc(N3CC[C@H](O)[C@@H](CO)C3)ccc21 2128295193 BMIZAPSGWJERMV-DFBGVHRSSA-N 262.353 0.812 10 10 CCCE COC(=O)[C@]1(NCCCN=[N+]=[N-])C[C@H]2COC[C@@H]21 1912163227 GWEXWUZSFVAPMU-QXEWZRGKSA-N 254.290 0.855 10 10 CCCE CS(=O)(=O)N1CCC[C@@H](C(=O)N2CC(N=[N+]=[N-])C2)C1 1912144058 NZVCKALCGMOZPW-MRVPVSSYSA-N 287.345 0.179 10 10 CCCE CNC(=O)NC(=O)[C@H](C)N1CCC(N=[N+]=[N-])CC1 1912156559 PBXBZTQUOSHKRT-ZETCQYMHSA-N 254.294 0.605 10 10 CCCE Nc1ccc(OCCNC(=O)N2CC[C@H](O)C2)cc1 1914114964 MDDMXHZXMLYCPK-NSHDSACASA-N 265.313 0.424 10 10 CCCE COc1ccc(O)c(CNCCc2nncn2C)c1 109421547 JDAPJCPLGFNZMG-UHFFFAOYSA-N 262.313 0.862 10 10 CCCE COc1cccc(CNC(=O)C2(CO)CCOCC2)c1O 1445970013 ORDYESGWTSBVHY-UHFFFAOYSA-N 295.335 0.806 10 10 CCCE COc1cccc(CNC(=O)[C@H](O)c2cnn(C)c2)c1O 1622773180 ZBQKMBHDCRNWES-CYBMUJFWSA-N 291.307 0.484 10 10 CCCE N=C1NC(=O)[C@@H](CC(=O)NCc2c(O)cccc2F)S1 1638864086 UPFHNHBNIUFHMK-SECBINFHSA-N 297.311 0.704 10 10 CCCE NC(=O)N=Nc1ccc(C(=O)N2CCC[C@@H]2C(N)=O)cc1 1635537935 SBBYYPBJCRSEBZ-SNVBAGLBSA-N 289.295 0.939 10 10 CCCE COc1cc(N2C[C@H](O)[C@@H](O)[C@@H]2CF)ccc1CO 2140654832 OLTRWNOBJASBRJ-GVXVVHGQSA-N 271.288 0.067 10 10 CCCE C[C@@H](NCc1ccccc1O)C1CS(=O)(=O)C1 1942249099 SJJWIOIQTCQSOW-SECBINFHSA-N 255.339 0.915 10 10 CCCE CC[C@@H](C)S(=O)(=O)N(CC(N)=O)Cc1ccc(N)cc1 2144158924 BOZWSGJCTSANLD-SNVBAGLBSA-N 299.396 0.684 10 10 CCCE Oc1c(CN[C@H]2CCn3nnnc3C2)ccc(F)c1F 1875674996 SYQCQVGOSIPUBK-QMMMGPOBSA-N 281.266 0.762 10 10 CCCE Nc1cc2c(cc1N1C[C@@H]3CNC[C@@H]3C1)OCCO2 1876308094 WQSUYSGTDGFEOW-AOOOYVTPSA-N 261.325 0.696 10 10 CCCE N[C@@H]1CCN(c2nnc(-c3ccc(O)c(O)c3)[nH]2)C1 236301964 PUPBTNCZQOYVGU-MRVPVSSYSA-N 261.285 0.420 10 10 CCCE C[C@@](N)(C(=O)O)C1(c2ccc(O)c(O)c2O)CC1 1951962622 OGIWFKONHUDNSJ-LLVKDONJSA-N 253.254 0.637 10 10 CCCE CC(=O)N(C)CCN(C)C(=O)c1cccc(O)c1O 1970170547 ADWDODPSEXNQJB-UHFFFAOYSA-N 266.297 0.648 10 10 CCCE C[C@@H]1CCN(c2cc3c(cc2N)OCCO3)[C@@H]1C(N)=O 2146450899 GGCNDSCORXNYPG-OQPBUACISA-N 277.324 0.740 10 10 CCCE CO[C@H]1COC[C@@H]1N1CCN(c2ccc(N)cc2)CC1 2146756086 LNYVLSLXMQWPHK-GJZGRUSLSA-N 277.368 0.805 10 10 CCCE NC(=O)CONCc1ccc(N2CCOCC2)cc1 169134562 DNOYLBPULPSHJO-UHFFFAOYSA-N 265.313 0.030 10 10 CCCE CN1CCc2cc([C@H](O)C(=O)c3nnn(C)n3)ccc21 2147118748 RIIOFLMOECCSMW-NSHDSACASA-N 273.296 0.119 10 10 CCCE Nc1ccc(NC(=O)N2C[C@@H](CO)[C@H](CCO)C2)cc1 2149913324 JAHKMWCNQNZRGA-MNOVXSKESA-N 279.340 0.723 10 10 CCCE CC(C)NC(=O)CNC(=O)CCOc1ccc(N)cc1 40304335 XDJIZKOFFCDVKC-UHFFFAOYSA-N 279.340 0.679 10 10 CCCE O=C(N[C@@H]1CN[C@@]2(CCOC2)C1)c1ccc(O)c(O)c1 2154523400 XHRWEWCWHXEWTO-HZMBPMFUSA-N 278.308 0.349 10 10 CCCE CC(=O)N[C@H](CNCc1ccc2c(c1)CCO2)C(=O)O 2160555977 BCAVFIQKXFHYAO-GFCCVEGCSA-N 278.308 0.300 10 10 CCCE CC(C)N(Cc1ccc(N)cc1)[C@H]1CS(=O)(=O)C[C@@H]1O 2155607303 CEXLCYAEWFQTCT-KBPBESRZSA-N 298.408 0.637 10 10 CCCE CCn1nncc1CN(C)C(=O)c1cccc(O)c1O 2156484170 OGAQGPGYRSGSEK-UHFFFAOYSA-N 276.296 0.981 10 10 CCCE CN(C)c1ccc2c(c1)OCCN2C[C@@H](O)CO 2026871522 FJCNLNLLRLHFSO-LLVKDONJSA-N 252.314 0.305 10 10 CCCE COCCN1C[C@H](O)[C@@H](N2CCC[C@H](N=[N+]=[N-])CC2)C1 2156899489 QKRHVQPLKDYNDM-AVGNSLFASA-N 283.376 0.843 10 10 CCCE Oc1ccc(CNC[C@@H]2C[C@H](O)CCO2)c(O)c1 2036676163 NVFFBKYKSZADOV-NEPJUHHUSA-N 253.298 0.727 10 10 CCCE COC(=O)CS(=O)(=O)N1CCC[C@H](N=[N+]=[N-])CC1 2038001971 IBKMTVDAQUFEKE-QMMMGPOBSA-N 276.318 0.654 10 10 CCCE Nc1ccc(O)c(CN2CC(N3CC(F)C3)C2)c1 2041159205 JBHMZFBVGJAXCJ-UHFFFAOYSA-N 251.305 0.812 10 10 CCCE CC(C)(ONC(=O)c1cc(O)nc(O)c1)C(=O)O 2041630510 NGKABIHSMPNFQJ-UHFFFAOYSA-N 256.214 0.017 10 10 CCCE CO[C@]1(C(=O)NCCc2ccc(N)cc2)CCOC1 401923118 GKNDUUGTHICFOO-CQSZACIVSA-N 264.325 0.733 10 10 CCCE CC(C)[C@@](C)(NC(=O)Cc1ccc(N)cc1)C(N)=O 311826055 KTMGQCGREGKMDK-CQSZACIVSA-N 263.341 0.828 10 10 CCCE CCN1CCN(C(=O)CCc2ccc(N)cc2)CC1=O 2158780661 KADIYNLBPUOJKI-UHFFFAOYSA-N 275.352 0.892 10 10 CCCE Cn1ncc(CNCc2cc3c(cc2O)OCO3)n1 389811591 HNFFUQSNDSELSB-UHFFFAOYSA-N 262.269 0.539 10 10 CCCE CNCc1ccc(N2CC(C(=O)NC)C2)c(C#N)c1 381979455 GSWNAKULEZRHDY-UHFFFAOYSA-N 258.325 0.460 10 10 CCCE C[C@@H]1C[C@H](O)CN1S(=O)(=O)Cc1ccc(N)cc1 385054093 WOMMZGRFGNSYMU-SKDRFNHKSA-N 270.354 0.554 10 10 CCCE OCCNCc1nc(-c2ccc(O)c(O)c2)no1 388869338 XNEWUUBABTZRKD-UHFFFAOYSA-N 251.242 0.230 10 10 CCCE CN(CC[S@](C)=O)C[C@@H](O)COc1ccc(N)cc1 398900364 KSAOULAJZDMHKU-BLVKFPJESA-N 286.397 0.319 10 10 CCCE O=C(O)C[C@@H]1CN(Cc2cc(F)cc(F)c2O)C[C@H]1O 2174355511 OMJHVOBATLMZFR-RDDDGLTNSA-N 287.262 0.938 10 10 CCCE Nc1ccc(CC(=O)N2CC[C@H](C(CO)CO)C2)cc1 2170670922 FUTUDTKBBPCCHO-LBPRGKRZSA-N 278.352 0.261 10 10 CCCE CN1CCN(c2ccc(CO)c([N+](=O)[O-])c2)[C@@H](CO)C1 2188574041 NPCZSIGBXBGHCE-GFCCVEGCSA-N 281.312 0.200 10 10 CCCE C[C@@H](CNC(=O)c1cc(O)c(O)c(O)c1)[C@@H](F)C(=O)O 2188868254 NYLUBEDFQXFMCR-SSDLBLMSSA-N 287.243 0.592 10 10 CCCE O=C(O)[C@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)CCS1 2188868472 RQOZYLITEYOMHM-SECBINFHSA-N 299.304 0.446 10 10 CCCE O=C(NC[C@@H]1CC(F)(F)CN1)c1cc(O)c(O)c(O)c1 2188918394 DQPWZHSSHUAVAQ-ZETCQYMHSA-N 288.250 0.530 10 10 CCCE O=C(N[C@@H]1CN[C@@H]2CCC[C@H]12)c1cc(O)c(O)c(O)c1 2188923876 MULCNILKOIDGNF-IVZWLZJFSA-N 278.308 0.674 10 10 CCCE N[C@@H]1CCCc2cc(N3C[C@H]4C[C@H]3[C@@H](O)[C@@H]4O)ccc21 2184683627 CGMQTVNDKCUFJK-LMXXTMHSSA-N 274.364 0.953 10 10 CCCE CNC(=O)[C@@H](C)N(C)Cc1c(O)cccc1OC 2042572241 VOCCSMMYKYRREA-SECBINFHSA-N 252.314 0.967 10 10 CCCE Nc1ccc(O)c(CN2CC[C@@]3(O)CCOC[C@H]3C2)c1 2194576827 UPJJHYBVCZWWDU-IUODEOHRSA-N 278.352 0.948 10 10 CCCE NCc1ccc(N2CC[C@H]3C[C@H]2[C@H](O)[C@@H]3O)c(F)c1F 2199532719 RCPYCYVUDNXULK-ZXVPCKTCSA-N 284.306 0.744 10 10 CCCE CN[C@H]1C[C@H]2CC[C@H]1CN2C(=O)c1cc(O)nc(O)c1 2191481175 QVHGCOXADZTFEF-GDPRMGEGSA-N 277.324 0.705 10 10 CCCE CCO[C@@H]1C[C@@H](N)[C@@H]1Nc1c(N)cccc1C(=O)OC 2191691242 HGTHQPWQJNUUEO-WZRBSPASSA-N 279.340 0.972 10 10 CCCE Nc1ccc(OCC(=O)N[C@]23CCCNC[C@H]2C3)cc1 2191747714 MIJGGYZFAKSTPO-ABAIWWIYSA-N 275.352 0.906 10 10 CCCE C[C@@H]1[C@@H](O)CN1c1cc2c(cc1Cl)[C@H](O)C(=O)N2 2062248383 XEFTUGRREYXJRW-WIHYOSRFSA-N 268.700 0.895 10 10 CCCE O=C(N[C@H]1COCC1(F)F)c1ccc(O)c(O)c1 2067443730 IULZABQYTCGBHP-VIFPVBQESA-N 259.208 0.862 10 10 CCCE CC[C@H](CCO)NC(=O)c1cc(O)c(O)c(O)c1 2068578296 RMGXYSCQQCLJKJ-MRVPVSSYSA-N 255.270 0.694 10 10 CCCE C[C@@]1(CN)COCCN(C(=O)c2ccc(O)c(O)c2)C1 2199840755 DKMJEKWOHWTFGA-AWEZNQCLSA-N 280.324 0.535 10 10 CCCE C[C@@H]1OCCN(Cc2ccc(N)cc2)[C@H]1C(=O)O 2076888046 ZQGCLVSTPBXPTE-JOYOIKCWSA-N 250.298 0.943 10 10 CCCE [N-]=[N+]=NCCN[C@H](C(N)=O)[C@@H]1C[C@@]12CCCOC2 2077627787 IMTUDMYQXJIWAL-ATZCPNFKSA-N 253.306 0.557 10 10 CCCE NC[C@@H]1CC[C@@H]1C(=O)NCCc1ccc(O)c(O)c1 2101176560 ZSEOPUWDNDKAHQ-QWRGUYRKSA-N 264.325 0.741 10 10 CCCE COc1ccc(CNCc2nnc(O)o2)c(O)c1 2081294894 BGDZMFYGONHJOD-UHFFFAOYSA-N 251.242 0.779 10 10 CCCE CN(Cc1ncon1)c1ccc2c(c1)NC(=O)[C@@H]2O 2104161154 KXIYEMQKIUQDQH-LLVKDONJSA-N 260.253 0.692 10 10 CCCE CNCc1ccc(N2C[C@H]3C[C@H]2[C@@H](O)[C@@H]3O)c(C)c1 2104416456 WSVUQBRSJTWZLL-FAAHXZRKSA-N 262.353 0.645 10 10 CCCE C[C@H]1C[C@@H](C)N(C(=O)c2cc(O)nc(O)c2)CCN1 2108178749 PNVHYWGOXZNOCW-DTWKUNHWSA-N 265.313 0.705 10 10 CCCE NC(=O)CO[C@@H]1CCN(c2ccc(CO)cc2Cl)C1 2089140005 SJTADOYZNNEWQY-SNVBAGLBSA-N 284.743 0.913 10 10 CCCE C[C@H](NC1CN(S(C)(=O)=O)C1)c1ccc(F)cc1O 2089189809 DKIPCCUZYCWHQL-QMMMGPOBSA-N 288.344 0.826 10 10 CCCE COc1ccc([C@H](C)N[C@H]2CN(C)C[C@H]2O)c(O)c1 2090334005 NIJRTJJRJJPNGS-DUFXMDAXSA-N 266.341 0.726 10 10 CCCE CN(CCS(=O)(=O)N(C)C)c1ccc(CN)cc1F 2094689689 MHJQZGKZDNQEJP-UHFFFAOYSA-N 289.376 0.612 10 10 CCCE CN1CCc2cc([C@H](O)CN3CC[C@H](N)C3)ccc21 2112995394 YFCLCKOYOSEQAJ-DZGCQCFKSA-N 261.369 0.745 10 10 CCCE [N-]=[N+]=NCCCCN1CCC[C@]2(C1)NC(=O)NC2=O 2114207090 VYQXMWQCHFRSMP-LLVKDONJSA-N 266.305 0.751 10 10 CCCE CCN(Cc1c(O)cccc1F)[C@@H]1CC(=O)NC1=O 2114735580 RABJUIIPPDGAGX-SNVBAGLBSA-N 266.272 0.768 10 10 CCCE COc1ccc(N2CC([S@@](C)=O)C2)c(CN)c1 2214847510 UCOOIYORKMJFLE-QGZVFWFLSA-N 254.355 0.721 10 10 CCCE COc1ccc(N2C[C@H](O)C[C@@H]2CO)c(C=O)c1 2220425418 DFRUVVCDCBLHEZ-GHMZBOCLSA-N 251.282 0.440 10 10 CCCE CN1CCCc2cc(N3CC[C@@](O)(C(N)=O)C3)ccc21 2235044605 ZTTROINZZRNCEW-HNNXBMFYSA-N 275.352 0.496 10 10 CCCE Nc1ccc(CNC(=O)N[C@H]2C[C@H](C(=O)O)C2)cc1 2225044933 MZJQQKGLNSITLU-HOMQSWHASA-N 263.297 0.931 10 10 CCCE Nc1ccc(CC(=O)NCc2n[nH]cc2C(=O)O)cc1 2235325939 JRZOBRKJUBVJSD-UHFFFAOYSA-N 274.280 0.549 10 10 CCCE COc1ccc(N2C[C@@H](O)[C@@H](CO)C2)c(OC)c1C 2278059042 MTPUWFJAZTWKQG-ZYHUDNBSSA-N 267.325 0.802 10 10 CCCE CSc1ncc(CNC(=O)[C@@H](N)[C@@H]2CCCO2)s1 2256939935 JZQXQOPPZWLBDR-IUCAKERBSA-N 287.410 0.988 10 10 CCCE CSc1ncc(CNC(=O)[C@H]2CC[C@@H](CN)O2)s1 2257026579 NBNDGTPUABNASL-IONNQARKSA-N 287.410 0.988 10 10 CCCE COc1ccc(N2C[C@H](O)C[C@@H](O)C2)c(OC)c1C 2277993411 KGPISRNMBYSKRO-GHMZBOCLSA-N 267.325 0.944 10 10 CCCE COCCN1C[C@@H](O)[C@H](N(C)c2ccc(OC)cc2)C1 2279044456 OVFFIRAOTYKQPZ-HUUCEWRRSA-N 280.368 0.823 10 10 CCCE N[C@@H]1C[C@@]2(NC(=O)Cc3ccc(O)c(O)c3)CO[C@H]1C2 2281193340 DQFBYFNWJAQZPJ-LQJRIPTKSA-N 278.308 0.015 10 10 CCCE COCC(COC)ONC(=O)COc1ccc(N)cc1 2283331024 ADMZOLCUIFBFRF-UHFFFAOYSA-N 284.312 0.357 10 10 CCCE Nc1ccc(OC[C@H](O)CN2C[C@@H]3C[C@H](C2)[C@H]3O)cc1 2286212284 UPCKBUGWPWAVTP-NDPMZMCLSA-N 278.352 0.321 10 10 CCCE O=C(O)CN(C(=O)c1ccc(O)c(O)c1)[C@H]1CCOC1 2288041305 AAQBZGZLRIJVET-VIFPVBQESA-N 281.264 0.414 10 10 CCCE N[C@H]1CCc2cc(N3CC(O)(C(F)(F)CO)C3)ccc21 2288544767 MKJFGDZIPGWDFD-LBPRGKRZSA-N 284.306 0.811 10 10 CCCE CCOc1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2COC)cc1 2333689681 NLLFBSWLSZPQQK-MCIONIFRSA-N 267.325 0.642 10 10 CCCE CSc1cc(N2CC(=O)NC(=O)[C@@H]2C)ccc1CN 2353856329 ZPIPTSNRPBMESN-QMMMGPOBSA-N 279.365 0.719 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1C[C@H]2C=C[C@@H]1C2 2354468886 BTVTZUHBNJQZJM-TUAOUCFPSA-N 274.320 0.755 10 10 CCCE C[C@@H](O)CN(C)CC(=O)N(C)c1ccc(N)cc1 51817000 CZBLJUKJODNIPP-SNVBAGLBSA-N 251.330 0.544 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3C[C@@H]4CC[C@]4(CO)C3)ccc21 2357554853 BPZSBWXVLPCZDM-JBCWJZNQSA-N 273.336 0.847 10 10 CCCE COc1cc(C(C)(C)[C@@H](N)C(=O)O)cc(O)c1O 1952724510 RNJMNQIDJGTLHV-JTQLQIEISA-N 255.270 0.796 10 10 CCCE C[C@@H](c1ccccc1O)N(C)C(=O)c1c[nH]c(=O)[nH]c1=O 38089668 GLTDVJMTKLVNLU-QMMMGPOBSA-N 289.291 0.602 10 10 CCCE CS(=O)(=O)NCCNCc1cc(F)ccc1O 226581872 QFAXGHPXLJZCJL-UHFFFAOYSA-N 262.306 0.170 10 10 CCCE CCN[C@@H]1C(=O)Nc2cc(N3CCN(C)C(=O)C3)ccc21 84204802 YPSBYOHKVRJPMH-AWEZNQCLSA-N 288.351 0.568 10 10 CCCE C[C@@H](C(=O)O)N(CC(N)=O)Cc1ccc(N)cc1 43629645 MMCFTOMCUCXUMZ-QMMMGPOBSA-N 251.286 0.029 10 10 CCCE C[C@]1(C(=O)NCCc2ccc(O)c(O)c2)CCC(=O)NC1 282741792 MYSWEBNRUURKCZ-HNNXBMFYSA-N 292.335 0.673 10 10 CCCE CC(=O)Nc1cccc(C(=O)OCC(=O)C(C)=O)c1 808486583 UTRMQFMIHXKQHH-UHFFFAOYSA-N 263.249 0.960 10 10 CCCE CC(=O)C(=O)COC(=O)c1ccc([N+](=O)[O-])n1C 808498174 MAZMHUXXJIGNGK-UHFFFAOYSA-N 254.198 0.248 10 10 CCCE CN1CCO[C@H](C(=O)N2Cc3cccc(O)c3C2)C1=O 913726915 ZOCXHCCYTZFXRI-LBPRGKRZSA-N 276.292 0.092 10 10 CCCE CN(CC(N)=O)c1cc(Br)c(CN)cc1F 390214970 WVROALBFEQUXSA-UHFFFAOYSA-N 290.136 0.968 10 10 CCCE NC(=O)CC1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1136268421 NDWREAFICFUMSQ-UHFFFAOYSA-N 292.335 0.754 10 10 CCCE CN(C)c1ccc(CNC(=O)C[C@@H](N)C(=O)O)cc1 83481562 MEPRWBGOPJSZSG-LLVKDONJSA-N 265.313 0.171 10 10 CCCE CN[C@@H]1CN(C)c2c(OC)cc(OC)cc2C1=O 84797851 MJCLJWVVUZRBJO-SNVBAGLBSA-N 250.298 0.924 10 10 CCCE COc1ccc(N2CCN[C@H](CCO)C2)c([N+](=O)[O-])c1 710420936 ONGNJXNFXPWDTJ-SNVBAGLBSA-N 281.312 0.764 10 10 CCCE CN(CC(C)(CO)CO)C(=O)c1ccc(O)c(O)c1 689226817 SHJONENCFVSRMS-UHFFFAOYSA-N 269.297 0.161 10 10 CCCE C[C@@H](NCCc1nnnn1C)c1ccc(F)cc1O 756678632 WYTOROCLYCKGPM-MRVPVSSYSA-N 265.292 0.948 10 10 CCCE CN(CCS(C)(=O)=O)C(=O)COc1ccc(N)cc1 94297271 KETOKTFEIBTZCI-UHFFFAOYSA-N 286.353 0.151 10 10 CCCE NC(=O)c1cc(C(=O)NCc2cccc(O)c2O)co1 1303194442 BPPNMKSKSQKONB-UHFFFAOYSA-N 276.248 0.720 10 10 CCCE Cc1ncc(Cn2ccc3c(c2=O)CNCC3)n1C 2115587378 ZUPZCCVJMZECRJ-UHFFFAOYSA-N 258.325 0.584 10 10 CCCE CN1C(=O)[C@H](O)c2ccc(N3CC(F)(CO)C3)cc21 2116281886 XHHTWAXZMVUADN-LLVKDONJSA-N 266.272 0.217 10 10 CCCE CCN[C@@H]1CC[C@@H]1CNC(=O)c1cc(O)nc(O)c1 2116676673 XZUXKNCBFJTJOK-PSASIEDQSA-N 265.313 0.611 10 10 CCCE CN(C)c1ccc(CN[C@@H]2CCO[C@@H]2C(N)=O)cc1 2117461936 CMLQHMIJJNRUBA-OLZOCXBDSA-N 263.341 0.485 10 10 CCCE Nc1ccc(OCCC(=O)N2CC=C[C@H]2CO)cc1 2119806881 JBWLLXZWUZPNFW-LBPRGKRZSA-N 262.309 0.797 10 10 CCCE CN1C(=O)NCC12CN(c1ccc(CN)c(F)c1)C2 2121214077 OIMLRMFOMOZEKH-UHFFFAOYSA-N 264.304 0.498 10 10 CCCE NCc1ccc(N2C[C@@H]3C[C@H](C2)[C@H](O)[C@@H]3O)cc1F 2126152524 HTETZAWAKLXYQZ-DHPDLVEQSA-N 266.316 0.462 10 10 CCCE Cc1cc(N2C[C@@H]3C[C@H](C2)[C@H](O)[C@H]3O)ccc1CN 2126150987 RBYNSBOKAJYADR-NEBZKDRISA-N 262.353 0.632 10 10 CCCE O=C(NCc1ccccc1O)[C@@H]1CNC2(CC2)CO1 2127531395 HHIYFVPENLRGJP-LBPRGKRZSA-N 262.309 0.529 10 10 CCCE 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CNCc1ccc(N2CC[C@](CO)(OC)C2)c(C#N)c1 402934645 MHOAOMGWEZANLR-HNNXBMFYSA-N 275.352 0.865 10 10 CCCE CN(C[C@@H](O)COc1ccc(N)cc1)CC1(C)COC1 702979404 FNRKEFJSUSVVBY-CYBMUJFWSA-N 280.368 0.977 10 10 CCCE O=S1(=O)CC(NCc2ccc(F)c(F)c2O)C1 703307323 HUYJJTRJCQSHCM-UHFFFAOYSA-N 263.265 0.557 10 10 CCCE O=C(c1cccc(O)c1O)N1CC(n2cccn2)C1 370131744 ITNJTTLREJNEHH-UHFFFAOYSA-N 259.265 0.991 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN1S(=O)(=O)c1ncc[nH]1 692910830 RDTCIDYWTAHOAJ-SSDOTTSWSA-N 256.291 0.873 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3CCN4CC[C@H]3C4)cc21 381780277 LCQZCUJMTJIWED-SMDDNHRTSA-N 272.352 0.557 10 10 CCCE COCCNCc1ccc(N2CC(C(N)=O)C2)c(C)c1 382124584 VVKJHLYWUVYIGY-UHFFFAOYSA-N 277.368 0.653 10 10 CCCE C[C@H](N)c1ccc(N(C)CC(=O)N(C)C)cc1O 723160425 WZHSBKNJGSOVNX-VIFPVBQESA-N 251.330 0.936 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CCc3c[nH]nc3C2)cc1 396968684 KSBQWKLSVGUDAB-UHFFFAOYSA-N 292.364 0.880 10 10 CCCE NCc1ccc(N2CC(NS(=O)(=O)C3CC3)C2)cc1F 2165626722 MSBBZJMWILQFJQ-UHFFFAOYSA-N 299.371 0.555 10 10 CCCE Cc1cc(O)n2ncc(C(=O)NC3(CCO)CCC3)c2n1 2063911212 GLEFSHUEUZBGPS-UHFFFAOYSA-N 290.323 0.778 10 10 CCCE COc1cccc(CN2C[C@H]3CCO[C@@]3(CN)C2)c1O 2175182623 MLQVLIOUYHJGDK-DOMZBBRYSA-N 278.352 0.950 10 10 CCCE CC1(C)CNC(=O)CN1CC(=O)c1ccc(O)c(O)c1 2175719801 FKLDHCRDWDEOJE-UHFFFAOYSA-N 278.308 0.491 10 10 CCCE C[C@@H](N[C@@H]1CCn2nnnc2C1)c1c(O)cccc1O 2175912489 RLMABAFJMMPOIN-RKDXNWHRSA-N 275.312 0.750 10 10 CCCE NC[C@@H](C[C@H]1CCOC1)NC(=O)c1cccc(O)c1O 2195499812 JOEHZQHGQWVDKV-NXEZZACHSA-N 280.324 0.582 10 10 CCCE C[C@@H](C(=O)N[C@H](C)c1ccccc1O)N1CCNCC1 2192630521 XMHVFWREWXGJPZ-NEPJUHHUSA-N 277.368 0.863 10 10 CCCE CN1C[C@H](NC(=O)c2ccc(O)c(O)c2)CCCC1=O 2188492994 BNGRGMPYJLKXTK-SNVBAGLBSA-N 278.308 0.839 10 10 CCCE C[C@@]12CN(C(=O)c3cc(O)c(O)c(O)c3)C[C@]1(CO)C2 2188868465 RMFGFLTUCWTJBP-KGLIPLIRSA-N 279.292 0.648 10 10 CCCE COc1cccc(O)c1CN[C@@H]1CCS(=O)(=O)C1 2042571204 PWNAMRFCGZCHBA-SECBINFHSA-N 271.338 0.678 10 10 CCCE COc1ccc(N2CCNC(=O)[C@]23CCCNC3)cc1 2194192985 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C[C@H]1CNC(=O)C[C@](NCCCN=[N+]=[N-])(C(=O)O)C1 2103928765 PUGCBOMNCRGBNY-KCJUWKMLSA-N 269.305 0.646 10 10 CCCE CN1CCc2cc([C@@H](O)C(=O)[C@@H]3C=CCN3)ccc21 2090966240 PLHVYVAJMOPXAA-GXTWGEPZSA-N 258.321 0.809 10 10 CCCE O[C@@H]1[C@H](O)CN(c2ccc(CNC3CC3)cc2)[C@H]1CF 2205610721 KUERIJVDEOHMRC-ZNMIVQPWSA-N 280.343 0.819 10 10 CCCE N[C@H]1[C@@H](NC(=O)c2ccc(O)c(O)c2)COC12CCC2 2206480575 UPLQBBHGYFVYKC-CABZTGNLSA-N 278.308 0.476 10 10 CCCE COc1ccc(N2C[C@@H](O)C[C@H](O)C2)c(F)c1F 2219770932 ZRKMXXOZHFKORB-YUMQZZPRSA-N 259.252 0.905 10 10 CCCE C[C@]1(CCNC(=O)COc2ccc(N)cc2)CCN1 2225552132 YHLQTXMTOAGGSA-AWEZNQCLSA-N 263.341 0.906 10 10 CCCE Nc1ccc(CN2C[C@@H]3[C@H]4C[C@@H]([C@@H](O)[C@H]4O)[C@@H]3C2)cc1 2237064418 VINKMJIAVFSEEG-FGZZBPHYSA-N 274.364 0.688 10 10 CCCE COc1ccc(N2CC[C@@H](O)C[C@H]2CO)c(CO)c1 2227675571 JOEYNCOERZYVQQ-NWDGAFQWSA-N 267.325 0.510 10 10 CCCE Cn1c(=O)nc(O)c2c1ncn2CCCCN=[N+]=[N-] 2227644133 WFPYDRMWQWTELZ-UHFFFAOYSA-N 263.261 0.926 10 10 CCCE CCn1cnc(S(=O)(=O)Nc2ccc(O)c(N)c2)c1 2227839101 VKHTZJXSFWTMOM-UHFFFAOYSA-N 282.325 0.992 10 10 CCCE Nc1ccc(CCN2C[C@@H](CO)C[C@H](CO)C2)cc1 2228405565 NVTYXQGIZUKLGY-KBPBESRZSA-N 264.369 0.734 10 10 CCCE CC(C)C[C@H](NC(=O)c1cccc(O)c1O)C(N)=O 2264453938 NUYCGAWOZIOOGC-VIFPVBQESA-N 266.297 0.728 10 10 CCCE NC[C@H]1CC[C@@H](C(=O)NCc2ccccc2O)CO1 2264667272 KDCCGXPDTYNPNE-VXGBXAGGSA-N 264.325 0.762 10 10 CCCE Cc1cc(N2C[C@H]3C[C@H]2[C@@H](O)[C@@H]3O)ccc1[C@@H](C)N 2269662086 JNOIHLOJLIWOKU-RPBVYFRGSA-N 262.353 0.945 10 10 CCCE CN1CCc2cc([C@@H]3NC4(CC4)C(=O)NC3=O)ccc21 2283623801 ROTSRAKPQQZCQF-LBPRGKRZSA-N 271.320 0.499 10 10 CCCE CCNC(=O)[C@@H]1CNCCN1c1ccc(OCF)cc1 2295963091 WXTHMXSZLSKPFD-ZDUSSCGKSA-N 281.331 0.907 10 10 CCCE CN(Nc1nc([C@H]2C[C@@H]2C(=O)O)cs1)S(C)(=O)=O 2317495219 LEQZKGFAYQOTBF-WDSKDSINSA-N 291.354 0.550 10 10 CCCE C[C@@H](N)c1ccc(N2CC([C@H](O)CO)C2)c(F)c1 2315165922 HUAHAHMCHGDITR-AMIZOPFISA-N 254.305 0.635 10 10 CCCE CC(=O)N(C)CCN(C)Cc1cc(N)ccc1O 2317268821 WUGHTVWKPPNBNX-UHFFFAOYSA-N 251.330 0.885 10 10 CCCE CNCc1ccc(N2C[C@@H]3C[C@H]2[C@H](O)[C@H]3O)cc1C 2329330985 UAYXRRCADKODTD-MXAVVETBSA-N 262.353 0.645 10 10 CCCE O=C(O)[C@H]1[C@@H]2C[C@H]1N(C(=O)c1cc(O)nc(O)c1)C2 2333062236 DCJOATKCLSSWPY-XSSZXYGBSA-N 264.237 0.038 10 10 CCCE NCc1ccc(N2CC[C@@H](O)[C@H](O)C2)cc1C1CC1 2339158266 TWFNECIVUVUIET-HUUCEWRRSA-N 262.353 0.955 10 10 CCCE CN(CC(=O)N(C)c1ccc(N)cc1)C[C@@H]1CCO1 2341145274 KGASCBPRQGDONJ-ZDUSSCGKSA-N 263.341 0.952 10 10 CCCE CN[C@@H](C)c1ccc(N2C[C@H](O)[C@@H]3COC[C@@H]32)cc1O 2354367656 BBTPVLBFBSVADF-AETLKFDBSA-N 278.352 0.869 10 10 CCCE O=C(O)[C@H]1COCCN1C(=O)c1ccc(O)c(O)c1 236433925 VLYVFZMSMHZVDR-MRVPVSSYSA-N 267.237 0.023 10 10 CCCE C[C@@H](O)C[C@@H](C)NC(=O)COc1ccc(N)cc1 228048182 PLAOLLBFSOVWJD-NXEZZACHSA-N 252.314 0.923 10 10 CCCE CNC(=O)[C@H]1CCCN1c1ccc(CN)cc1F 44412392 GULGXJQHFRECSF-GFCCVEGCSA-N 251.305 0.999 10 10 CCCE Nc1ccc(OCCNS(=O)(=O)CC2CC2)cc1 86496591 VZAYMOXZBWITBZ-UHFFFAOYSA-N 270.354 0.977 10 10 CCCE CNC(=O)[C@H]1CNCCN1Cc1cc(C)ccc1O 89082913 KZXFWAPSGVCURE-GFCCVEGCSA-N 263.341 0.220 10 10 CCCE CNCc1nc(C(=O)NCCc2ccc(N)cc2)co1 43217299 MBZANOXRCMOMHF-UHFFFAOYSA-N 274.324 0.949 10 10 CCCE C=Cn1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cn1 194517803 CQBABGIQGJBKSF-UHFFFAOYSA-N 260.253 0.417 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@H]1COC[C@H]1N 90382886 CHIXNSBSBITSIA-WDEREUQCSA-N 250.298 0.324 10 10 CCCE COCCN(Cc1ccc(OC)cc1O)[C@@H](C)C(N)=O 93139590 HNLBJXNUFGABDB-JTQLQIEISA-N 282.340 0.723 10 10 CCCE O=C(O)[C@H](c1cc(F)ccc1O)N1CCNCC1 236435006 VTEWPWYRPVDUQR-NSHDSACASA-N 254.261 0.562 10 10 CCCE CN[C@H](C)c1ccc(N2CCCNC(=O)C2)cc1O 93671886 YINSMFSVPISNQF-SNVBAGLBSA-N 263.341 0.999 10 10 CCCE CN1CCc2cc(CN3CC(O)(CC(=O)O)C3)ccc21 2166989221 GOSDNKPGHRETQO-UHFFFAOYSA-N 276.336 0.700 10 10 CCCE CC(=O)C(=O)COC(=O)c1cn(-c2cccc(C)c2)nn1 808511782 KMCXVXGGEHOEKD-UHFFFAOYSA-N 287.275 0.891 10 10 CCCE CC(=O)C(=O)COC(=O)C[C@@H]1Oc2ccccc2NC1=O 808497061 QFVWQYABEDNHET-LBPRGKRZSA-N 291.259 0.478 10 10 CCCE N[C@@H](c1cccc(Br)c1O)[C@H](O)C(=O)O 713745711 WEYANSKKLGSIPG-XPUUQOCRSA-N 276.086 0.600 10 10 CCCE CN1C[C@H]2C[C@H]1CN2CC(=O)c1ccc(O)c(O)c1 2131021190 RUCMIVCLGABLJP-WDEREUQCSA-N 262.309 0.669 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N(C)CCNC(C)=O)ccc21 723152610 DFXYLWLOWURNDC-ZDUSSCGKSA-N 276.340 0.472 10 10 CCCE CCN(CC(=O)NC)c1ccc2c(c1)N(C)C(=O)[C@H]2N 723192539 STIFZXWKPSODKC-ZDUSSCGKSA-N 276.340 0.235 10 10 CCCE COCCn1cc(C(=O)NCc2c(O)cccc2F)nn1 928705329 GTZSGQLBRDDZHL-UHFFFAOYSA-N 294.286 0.699 10 10 CCCE C[C@@H]1CN(C)C[C@@H](CNC(=O)c2cccc(O)c2O)O1 697273720 OETRVJDQLCHPCF-NXEZZACHSA-N 280.324 0.547 10 10 CCCE CC(=O)N[C@@H]1CCN(C(=O)CCc2ccc(N)cc2)C1 133352454 PGBJHEUJLYQQJC-CQSZACIVSA-N 275.352 0.938 10 10 CCCE COc1ccc([C@H](N)c2nnc(CO)o2)c(O)c1 83384296 NCBUBYNNQCDNFX-JTQLQIEISA-N 251.242 0.324 10 10 CCCE Oc1cc2c(cc1O)[C@H]([C@@H]1C[C@@H](O)CN1)NCC2 83724036 TZOVDTVGOYKKRH-DFAYQTQMSA-N 250.298 0.007 10 10 CCCE CN(Cc1nnnn1C)c1ccc(CN)c(Cl)c1 707667118 UZNNGMDSANKHMA-UHFFFAOYSA-N 266.736 0.959 10 10 CCCE COc1ccc(N2CCC[C@@H](CO)[C@@H]2CO)c(N)c1 709804214 BDSIUUZHKKBVBO-HZMBPMFUSA-N 266.341 0.847 10 10 CCCE CNCc1ccc(N(C)[C@@H]2CS(=O)(=O)C[C@H]2OC)cc1 696866764 OYLZDXOJPUJXSH-ZIAGYGMSSA-N 298.408 0.654 10 10 CCCE C[C@@H](N[C@@H]1CCC(=O)NC1=O)c1cc(O)ccc1O 89754680 QCDGBXNAEULJJT-GMSGAONNSA-N 264.281 0.554 10 10 CCCE Nc1cc2c(cc1N1CCO[C@@H]3C[C@H]31)NC(=O)CO2 2115162879 HTUIXXBJBFUJQV-ZYHUDNBSSA-N 261.281 0.577 10 10 CCCE Nc1ccc(OC[C@@H](O)CN2CCC23COC3)cc1 2115223731 WBCNOORGVWNVEA-LBPRGKRZSA-N 264.325 0.483 10 10 CCCE C[C@@H](NC(=O)Cn1c(O)nnc1O)c1ccccc1O 1171723467 RTCIONUXUAYEDO-SSDOTTSWSA-N 278.268 0.272 10 10 CCCE CN1CCN(c2ccc3c(c2)CC[C@H]3O)[C@@H](CO)C1 2128319826 XVPMFIFGWASSSA-UKRRQHHQSA-N 262.353 0.779 10 10 CCCE NCc1ccc(N2C[C@@H]3C[C@H](C2)[C@@H](O)[C@@H]3O)cc1Cl 2126151129 SIFVDEVCGSYEBZ-RDBQEKCUSA-N 282.771 0.977 10 10 CCCE O=C(NC[C@@H]1[C@@H]2COC[C@@H]21)c1cc(O)c(O)c(O)c1 2132399981 JJJLQKHRDFWDGK-AYMMMOKOSA-N 265.265 0.426 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H]2C[C@H](C1)C2O 2132348014 CABUABOBNGDJAW-OQJHAAMPSA-N 265.265 0.256 10 10 CCCE CCN1C[C@H](O)[C@H](N2CCc3cc(CN)ccc32)C1 2133389334 DZHFDBTUFYYFPH-CABCVRRESA-N 261.369 0.573 10 10 CCCE CC[C@H](c1ccccc1O)N(CC(N)=O)CC(=O)O 2136343977 YQCQGRZRKAIFSX-SNVBAGLBSA-N 266.297 0.715 10 10 CCCE [N-]=[N+]=N[C@H]1CCN(CC(=O)NC(=O)NC2CC2)C1 1912192286 CUCBIOKFYFNNPS-QMMMGPOBSA-N 252.278 0.359 10 10 CCCE C[C@](NCCN=[N+]=[N-])(C(=O)O)C1CCS(=O)(=O)CC1 1912205039 DCWQDYDNWRXITR-SNVBAGLBSA-N 290.345 0.554 10 10 CCCE CO[C@H](C(=O)O)C(=O)N(C)Cc1ccccc1O 901797764 DPAOHORQKOESSY-JTQLQIEISA-N 253.254 0.450 10 10 CCCE CC[C@H]1C(=O)NCCN1CCOc1ccc(N)cc1 110676970 XAPOQHBBMZEIOX-ZDUSSCGKSA-N 263.341 0.858 10 10 CCCE C[C@H]1CN(c2ccc3c(c2)NC(=O)[C@@H]3N)CCN1C 110723204 CGTNTBBEAMFTPR-TVQRCGJNSA-N 260.341 0.779 10 10 CCCE C[C@@H](CCO)N(C)c1cc2c(cc1N)OCC(=O)N2 1917021726 MTRMKKHFTIJRKT-QMMMGPOBSA-N 265.313 0.807 10 10 CCCE C[C@@H](CCO)N(C)C[C@@H](O)COc1ccc(N)cc1 1917039596 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Cc1cccc(CNC(=O)[C@@]2(N)CCCOC2)c1O 2139742972 GNCIAIVUDRNSAS-CQSZACIVSA-N 264.325 0.825 10 10 CCCE COc1ccc(N(C)C[C@@H](O)CC(=O)O)cc1OC 259011196 NROQUOOXLQPMGB-JTQLQIEISA-N 269.297 0.976 10 10 CCCE CN(C[C@H](O)CCN)c1ccc2c(c1)CCC(=O)N2 259204755 KXTMEICXZICPFT-GFCCVEGCSA-N 263.341 0.717 10 10 CCCE CC(C)CNC(=O)[C@@H](C)NC(=O)c1cccc(O)c1O 126532300 KGSPSFKYDGEPCP-SECBINFHSA-N 280.324 0.988 10 10 CCCE Cc1cccc(O)c1CN[C@H]1COC[C@H]1S(C)(=O)=O 2142477249 XBLSGYYNMQQNMR-WCQYABFASA-N 285.365 0.602 10 10 CCCE Nc1ccc(CCC(=O)N[C@@]2(CO)CCNC2)cc1 1876665687 PTVRPQLCQJAQSO-AWEZNQCLSA-N 263.341 0.042 10 10 CCCE C[C@@H]1NC(=O)CC[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 1963160667 NRYILJFOXQVVPY-WPRPVWTQSA-N 278.308 0.424 10 10 CCCE CCO[C@H](C)CNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 130536776 NCCMNBDVNUYXJO-KOLCDFICSA-N 282.340 0.509 10 10 CCCE CS(=O)(=O)c1ccc(CN2CCNCC2)c(O)c1 258491004 MINVJYUEFQPRKT-UHFFFAOYSA-N 270.354 0.201 10 10 CCCE Nc1ccc(CCC(=O)NCCN2CCOC2=O)cc1 2146761134 HTAIRGCXOVPJHD-UHFFFAOYSA-N 277.324 0.770 10 10 CCCE C[C@](O)(CS(C)(=O)=O)[C@H](N)c1ccccc1O 2003934014 YFRZTAOLOFGWRN-MNOVXSKESA-N 259.327 0.188 10 10 CCCE C[C@H](c1ccc(F)cc1O)N1CCC(N)(C(N)=O)CC1 2154307433 LWTJXILQUAXCMX-SECBINFHSA-N 281.331 0.871 10 10 CCCE Nc1ccc(OCC(=O)N2CCOCCOCC2)cc1 2159487401 ZYRXVAYCYOBSKZ-UHFFFAOYSA-N 280.324 0.523 10 10 CCCE COc1ccc(CN2CCN(CC(N)=O)CC2)c(O)c1 179837754 QOYIARWQQRQMMC-UHFFFAOYSA-N 279.340 0.004 10 10 CCCE Nc1ccc(CCC(=O)N2C[C@@H](O)[C@H](F)C2)cc1 2031872813 SMPFLZVOHBXQBI-VXGBXAGGSA-N 252.289 0.743 10 10 CCCE O=C1COCCN(C(=O)c2ccc(O)c(O)c2)C1 2034723435 QILVOFPTUOMWRN-UHFFFAOYSA-N 251.238 0.139 10 10 CCCE O=[N+]([O-])c1ccc(N2CC(CCO)C2)cc1CO 2034862991 MPXSDCPPVULWRS-UHFFFAOYSA-N 252.270 0.906 10 10 CCCE COCCNCc1ccc(N2CCNC(=O)C2)c(C)c1 62734814 LIBJRIVNVQNUOS-UHFFFAOYSA-N 277.368 0.667 10 10 CCCE CS(=O)(=O)N1CC[C@H](Nc2ccc(N)cc2)C1 400239248 WHKRGLONLVPDPM-NSHDSACASA-N 255.343 0.715 10 10 CCCE COC(=O)NCCNC(=O)Cc1ccc(N)cc1 308159387 UGDXQRFVJNPEAS-UHFFFAOYSA-N 251.286 0.284 10 10 CCCE CCOC(=O)[C@@H](NCCCN=[N+]=[N-])c1cnn(C)n1 311973897 BRQMCDHMEYOHFS-VIFPVBQESA-N 267.293 0.709 10 10 CCCE O=C(N[C@@H](CC(F)F)C(=O)O)c1ccc(O)c(O)c1 312032212 YCSLVMSIVPLNJK-LURJTMIESA-N 275.207 0.936 10 10 CCCE C[C@@H]1CN(Cc2ccc(N)cc2)CCS1(=O)=O 707107668 ABVQAORQJKLJGL-SNVBAGLBSA-N 254.355 0.888 10 10 CCCE C[C@H](N)c1ccc(N2CCC[C@@H](CO)[C@H]2CO)cc1O 709795942 SJBJXBYASOUBIY-COPLHBTASA-N 280.368 0.982 10 10 CCCE CCN(CCN(C)C)c1cc2c(cc1N)OCC(=O)N2 688195749 HKKFDTUUURUXNT-UHFFFAOYSA-N 278.356 0.988 10 10 CCCE CN(CCO)CCN(C)CCCOc1ccc(N)cc1 691336071 CGPFCCUKKOMYCU-UHFFFAOYSA-N 281.400 0.894 10 10 CCCE Nc1ccc(CNS(=O)(=O)c2cccnn2)cc1 712780717 FCOLDZPUUFOWHQ-UHFFFAOYSA-N 264.310 0.537 10 10 CCCE NC[C@H]1C[C@H](c2nc(-c3ccc(O)c(O)c3)no2)CO1 714085463 CGFRMZDQRIRQII-DTWKUNHWSA-N 277.280 0.979 10 10 CCCE CC[S@](=O)N(CC(N)=O)Cc1ccc(N)cc1 385406113 FIRGVRSRXDPJCR-KRWDZBQOSA-N 255.343 0.240 10 10 CCCE O=C1Nc2cc(N3CCS[C@@H](CO)C3)c(F)cc2[C@@H]1O 720039542 TVFLGZCYANJIDE-KRTXAFLBSA-N 298.339 0.725 10 10 CCCE CCN1C[C@@H](NC(=O)c2ccc(O)c(O)c2)CC1=O 391656140 MXCFUWYUYWLVJU-VIFPVBQESA-N 264.281 0.448 10 10 CCCE C[C@H]1C[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)c(O)c2)CS1 397849928 JLRKCIIMUXGJPO-GDPRMGEGSA-N 296.392 0.978 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3CCOC[C@H](O)C3)ccc21 399875282 RGAXGMBUNVXHGT-MFKMUULPSA-N 277.324 0.097 10 10 CCCE O=C(NC[C@@]12CNC[C@@H]1CCO2)c1ccc(O)c(O)c1 2175205085 FIQNCOVCULRXPX-HZMBPMFUSA-N 278.308 0.206 10 10 CCCE O=C(N[C@@H]1CCCNC1)c1cc(O)c(O)c(O)c1 1220894828 LSSRKVNRDDAKSI-MRVPVSSYSA-N 252.270 0.285 10 10 CCCE CN1CCN(c2ccc(CO)c([N+](=O)[O-])c2)C[C@H]1CO 2188575914 CLDYMEHOQBSQPO-LBPRGKRZSA-N 281.312 0.200 10 10 CCCE COCC[C@@H](N)C(=O)N[C@@H](C)c1ccccc1O 1333643293 NWOLKJXFIKEXIE-GXSJLCMTSA-N 252.314 0.933 10 10 CCCE O=C(O)[C@H]1CSCCN1C(=O)c1cc(O)c(O)c(O)c1 2188868857 YBUCIAVANOYYAQ-SSDOTTSWSA-N 299.304 0.446 10 10 CCCE Cc1nc[nH]c1CCNC(=O)c1cc(O)c(O)c(O)c1 2188920624 WVZTZIXTZPRASI-UHFFFAOYSA-N 277.280 0.807 10 10 CCCE C[C@H](C(=O)NCc1c(O)cccc1O)[C@H]1CCC(=O)N1 1597574165 JAPYIEBHVDWWBZ-WCBMZHEXSA-N 278.308 0.629 10 10 CCCE CCO[C@@H]1C[C@@H](N)[C@H]1Nc1c(N)cccc1C(=O)OC 2191691241 HGTHQPWQJNUUEO-NQBHXWOUSA-N 279.340 0.972 10 10 CCCE Nc1ccc(CS(=O)(=O)N2[C@H]3CCNC[C@H]2CC3)cc1 2191774010 LBLOOCUOLWLATH-ZIAGYGMSSA-N 295.408 0.925 10 10 CCCE C[C@H]1C[C@H](NS(=O)(=O)CCOc2ccc(N)cc2)CN1 2191701932 KLDIXRLEBHWUOP-JQWIXIFHSA-N 299.396 0.317 10 10 CCCE CC1(C)OC[C@@H](NCc2cc3c(cc2O)OCO3)[C@H]1O 2199480283 LXSQCNSHZDACIQ-NOZJJQNGSA-N 281.308 0.749 10 10 CCCE CN(C)c1ccc(CNC(=O)C[C@@H]2COC[C@H]2N)cc1 2187942902 KCUYTERUYYFEGC-TZMCWYRMSA-N 277.368 0.733 10 10 CCCE N[C@H]1C[C@@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)C12CCC2 2072040593 CUGATGZAOSXHGR-GMOBBJLQSA-N 250.342 0.770 10 10 CCCE COc1cc(N2CC[C@@H](O)[C@H](O)C2)ccc1CN 2084018112 WDTLXAPYBSOONH-VXGBXAGGSA-N 252.314 0.086 10 10 CCCE COc1ccc(N2CCOC[C@@]2(CN)CO)c(C)c1 2106389318 LOZGRYRTMNEPGD-CQSZACIVSA-N 266.341 0.530 10 10 CCCE C[C@H](O)c1ccc(N2CC(OCC(N)=O)C2)c(F)c1 2089139989 RYXNEHPWINNNMH-QMMMGPOBSA-N 268.288 0.570 10 10 CCCE C[C@H](C(=O)Nc1ccc(N)cc1)N(C)C1CN(C)C1 2089246503 GYZLWVCJXKZRFZ-SNVBAGLBSA-N 262.357 0.842 10 10 CCCE N[C@@H]1CN(C(=O)c2cccc(O)c2O)C[C@H]1C1CC1 2090683076 YZFJCEGPBOYLHH-WDEREUQCSA-N 262.309 0.907 10 10 CCCE CN[C@@H](c1ccccc1O)C1(O)CCS(=O)(=O)CC1 2091863836 PTDXKSHKTYXOCR-LBPRGKRZSA-N 285.365 0.592 10 10 CCCE CN1CCC[C@H](Cn2ccc3c(c2=O)CNCC3)C1 2094403725 BQHFDCIYNUWYEL-LBPRGKRZSA-N 261.369 0.836 10 10 CCCE COC[C@@H](O)CN1CCN(c2ccc(N)cc2)C1=O 2099402825 MTNWLZKLVSBPSH-LBPRGKRZSA-N 265.313 0.518 10 10 CCCE O=C(N[C@H]1CO[C@@]2(CCNC2)C1)c1cccc(O)c1O 2201746531 QSEFMYGWKGUCSU-OTYXRUKQSA-N 278.308 0.349 10 10 CCCE C[C@@H](N)c1ccc(N(C)[C@H]2CC(=O)NC2=O)cc1O 2114736481 ASGXHAVKIGXYAC-XCBNKYQSSA-N 263.297 0.263 10 10 CCCE COc1cccc(O)c1CN1CC[C@@H](O)C[C@@H]1C(=O)O 2201087314 SFOYHWUEGMOVDD-MWLCHTKSSA-N 281.308 0.811 10 10 CCCE CCNCc1ccc(N2C[C@@H](O)[C@H](CO)C2)cc1OC 2204556097 BTWFTQREXFYNAG-GXTWGEPZSA-N 280.368 0.594 10 10 CCCE CCCc1nc(=NC(=O)Cc2ccc(N)cc2)n(C)[nH]1 2205716189 OFCHUMVDKSATSZ-UHFFFAOYSA-N 273.340 0.953 10 10 CCCE Cn1nccc1S(=O)(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-] 2218739905 HJOWBTFBHVAOMS-SFYZADRCSA-N 270.318 0.930 10 10 CCCE [N-]=[N+]=N[C@@H]1CCC[C@H]1NC(=O)CN1CCCC1=O 2218745284 PJOMMNWWZROLBD-RKDXNWHRSA-N 251.290 0.956 10 10 CCCE COC[C@@H]1[C@H](O)[C@H](O)CN1c1ccc2c(c1)CC[C@@H]2O 2233880836 ZJDNUNQNKJQNMJ-BARDWOONSA-N 279.336 0.223 10 10 CCCE O[C@H]1[C@H]2C[C@@H]([C@@H]1O)N(c1ccc3c(c1)OC(F)(F)O3)C2 2235064104 GAQCFTUPFTWCIJ-APYZPAHBSA-N 285.246 0.938 10 10 CCCE CCCOc1ccc(N2CC[C@](O)(CO)[C@H](O)C2)cc1 2235103308 ICFXQSAHMMJTEN-CABCVRRESA-N 281.352 0.770 10 10 CCCE CNCc1cc(OC)ccc1N1CC(=O)NC(=O)[C@@H]1C 2235966174 OUJXSGMYDYOXHC-VIFPVBQESA-N 277.324 0.266 10 10 CCCE COc1ccc(N2CCn3cnnc3C2)c(CCN)c1 2235968745 VNIWSWGIPKYUAE-UHFFFAOYSA-N 273.340 0.808 10 10 CCCE COc1ccc(N2CC(N3CCOCC3)C2)c(CO)c1 2236003473 RPPGLBRYHFYZGV-UHFFFAOYSA-N 278.352 0.708 10 10 CCCE C[C@H](CN1CCOCC1)NCCc1ccc(O)c(O)c1 2240735003 JSZNYKTURACJMT-GFCCVEGCSA-N 280.368 0.951 10 10 CCCE CSc1ncc(CNCc2nnnn2C)s1 2243773005 ILMPFWZMJUMRSK-UHFFFAOYSA-N 256.360 0.678 10 10 CCCE NCc1ccc(N2CC[C@H]2[C@H](O)CO)cc1Cl 2249551399 FDGGQVGWWNQNOV-NWDGAFQWSA-N 256.733 0.731 10 10 CCCE COc1ccc(CNCc2noc(C(N)=O)n2)cc1C 2285750553 MTQLFLBYBAXDPU-UHFFFAOYSA-N 276.296 0.775 10 10 CCCE CN(C(=O)Cc1ccc(O)c(O)c1)[C@H]1CNCC12CC2 2286984033 MMIVODVVSSYXNX-ZDUSSCGKSA-N 276.336 0.851 10 10 CCCE NC(=O)COC(=O)C=Cc1ccc(N2CCOCC2)cc1 2297507212 XSQQKOHKYYJLRU-UHFFFAOYSA-N 290.319 0.565 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2O 2355706748 WMXQCPJVKBKICN-KQXIARHKSA-N 277.320 0.916 10 10 CCCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CC(=O)O 50914185 FAKNKKZRXAJZJA-UHFFFAOYSA-N 292.335 0.956 10 10 CCCE NC(=O)CSC[C@@H](O)COc1ccc(N)cc1 305965428 JDWJNAGXQMGQLR-VIFPVBQESA-N 256.327 0.227 10 10 CCCE Cc1ccc([C@H](C)NCCNS(C)(=O)=O)c(O)c1 20203725 JMZFEBKUZJJUOZ-JTQLQIEISA-N 272.370 0.900 10 10 CCCE CCn1nncc1[C@H](NN)c1ccc(N(C)C)cc1 305922632 HMRDWIWIPSZRCF-CYBMUJFWSA-N 260.345 0.917 10 10 CCCE CC[C@H](O)CN1CCN(C(=O)c2cccc(O)c2O)CC1 188432170 IKGWKKLFMJLUMH-NSHDSACASA-N 294.351 0.627 10 10 CCCE C[C@@H](Oc1ccc(N)cc1)C(=O)NCCN(C)C 41321290 CPZIWAWRJKMFBV-SNVBAGLBSA-N 251.330 0.714 10 10 CCCE CCC(CO)(CO)NC(=O)CCc1ccc(N)cc1 232977833 VXRVMDUJGJYWRR-UHFFFAOYSA-N 266.341 0.451 10 10 CCCE CO[C@@H]1CN([C@@H](C)C(=O)Nc2ccc(N)cc2)C[C@H]1O 395986711 CKSBVVVQARMYKO-ZWKOPEQDSA-N 279.340 0.287 10 10 CCCE C[S@](=O)CC1CN(c2cc3c(cc2N)NC(=O)CC3)C1 2166652102 NILZLGAPFTXMSA-FQEVSTJZSA-N 293.392 0.968 10 10 CCCE COC(=O)[C@@H]1C[C@]1(N)c1cc(O)c(O)c(OC)c1 1952887231 FCKUFJQELLIHBJ-MADCSZMMSA-N 253.254 0.453 10 10 CCCE CC(C)(C)OC(=O)[C@]1(c2cc(O)nc(O)c2)C[C@H]1N 1952929100 DSEJOPMGJRMTJM-OQPBUACISA-N 266.297 0.803 10 10 CCCE OC[C@H](O)[C@@H]1NCCc2ccc(OC(F)F)c(O)c21 75739977 IHRZJSFVWMVRSP-XVKPBYJWSA-N 275.251 0.534 10 10 CCCE CCOC[C@@H](O)CNC(=O)c1cccc(O)c1O 386431325 OMIMIXQTPMFTFW-QMMMGPOBSA-N 255.270 0.225 10 10 CCCE Cn1cc(CNC(=O)NCc2ccccc2O)nn1 783010394 DCPCIQKKQRFTRI-UHFFFAOYSA-N 261.285 0.520 10 10 CCCE CCOc1cccc(CN[C@H](CO)C(=O)OC)c1O 83513180 WOYFBEQKAPMQQO-SNVBAGLBSA-N 269.297 0.414 10 10 CCCE C[C@@H](C(=O)Nc1ccc(N)cc1)S(=O)(=O)[C@H]1CCOC1 703082464 MGAKDJRKEMHTHW-CABZTGNLSA-N 298.364 0.800 10 10 CCCE C[C@@H](CO)CN(C)c1ccc2c(c1)NC(=O)[C@H]2O 688697456 GWOGJQYRQNUMEW-PELKAZGASA-N 250.298 0.737 10 10 CCCE CN(C)C[C@H](O)CN(C)c1c(F)cc(CO)cc1F 690318519 VOANDHBKLQEPRD-JTQLQIEISA-N 274.311 0.816 10 10 CCCE NCc1ccc(N2CC(=O)NC(=O)C2)cc1C(F)(F)F 97267345 LJBTUHRHUUMAJP-UHFFFAOYSA-N 287.241 0.627 10 10 CCCE N[C@H]1CCc2cc(N3C[C@H]4C[C@H]3[C@@H](O)[C@H]4O)ccc21 2128322334 QCLPIYXDUHSAHT-SZWDSURNSA-N 260.337 0.563 10 10 CCCE C[C@@H](O)[C@@]1(C)CCN1C(=O)c1cc(O)c(O)c(O)c1 2132403835 NIRLXASZIYAJPT-FUXBKTLASA-N 267.281 0.789 10 10 CCCE Cc1nc(NN(C)S(C)(=O)=O)sc1C(=O)O 1901373407 KLMUCILFVDZYCF-UHFFFAOYSA-N 265.316 0.368 10 10 CCCE O=S(=O)(Nc1ccc(O)cc1Cl)N1CC(O)C1 1914122230 FPKYPVHNBBINDQ-UHFFFAOYSA-N 278.717 0.379 10 10 CCCE CC1(C)OC[C@H](NC(=O)c2cccc(O)c2O)[C@@H]1N 1911072248 FLPPSZSWUPGOMD-KWQFWETISA-N 266.297 0.332 10 10 CCCE C[C@@H](O)[C@H](O)CNC(=O)C=Cc1ccc(N(C)C)cc1 1912118990 KHBZOKMEDKANOT-BXUZGUMPSA-N 278.352 0.624 10 10 CCCE CC[C@@H](C)[C@@H](NC(N)=O)C(=O)N1CC(N=[N+]=[N-])C1 1912206865 UTSKREZLRLJZAL-HTRCEHHLSA-N 254.294 0.591 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@]1(C)COCCN1 2136504664 PTNFZSNPFADPMA-AWEZNQCLSA-N 264.325 0.729 10 10 CCCE Oc1ccc(CNC[C@]2(O)CCOC2)c(O)c1O 226761639 ZDWSUMVOPRPWQW-GFCCVEGCSA-N 255.270 0.044 10 10 CCCE C[S@](=O)(=NC(=O)c1cccc(O)c1O)C1CNC1 1924618559 USKFWFDUKMWSTN-GOSISDBHSA-N 270.310 0.308 10 10 CCCE Cc1ccc(C(=O)N[C@@H](C)c2nnc(O)n2C)c(O)c1O 1557265725 NRLSLKDJIMRGLD-ZETCQYMHSA-N 292.295 0.731 10 10 CCCE COC[C@H](O)CNC(=O)c1ccc(N=NC(N)=O)cc1 1634027458 ZRWGSPBMDUVFBX-SNVBAGLBSA-N 280.284 0.586 10 10 CCCE NC(=O)[C@@H](NC(=O)c1cccc(O)c1O)c1ccccn1 1636269393 VQJSXFPBPBXWLS-NSHDSACASA-N 287.275 0.449 10 10 CCCE CN(CC(=O)NCc1ccc(O)c(O)c1)[C@@H]1CCC[C@H]1O 1566359885 QRFGKTAIRJUDNX-VXGBXAGGSA-N 294.351 0.559 10 10 CCCE CC(C)[C@@H](NC(=O)COc1ccc(N)cc1)C(N)=O 231031682 RTORLQPPWVXUGJ-GFCCVEGCSA-N 265.313 0.274 10 10 CCCE CO[C@@H]1C[C@H](C(=O)O)N(C(=O)CCc2ccc(N)cc2)C1 158131620 KQZPUQXFHOJAMA-CHWSQXEVSA-N 292.335 0.902 10 10 CCCE C[C@H](NC(=O)COc1ccc(N)cc1)[C@@H](C)CO 166753506 BYYLLBPMRHNOQP-UWVGGRQHSA-N 252.314 0.781 10 10 CCCE NCC[C@@H]1CCN(C(=O)COc2ccc(N)cc2)C1 1876494763 GCMXRQKHKRKKII-LLVKDONJSA-N 263.341 0.845 10 10 CCCE CO[C@@H]1CNC[C@@H]1NC(=O)CCc1ccc(N)cc1 1876491108 JWEDLRNFARBKSD-QWHCGFSZSA-N 263.341 0.304 10 10 CCCE C[C@H](c1ccccc1O)N(C)C[C@]1(O)CNC[C@@H]1O 1877524746 SZBXOJQOLNWCPO-DDTOSNHZSA-N 266.341 0.080 10 10 CCCE CN(C(=O)COc1ccc(N)cc1)C1CC(CO)C1 1879172347 MPRFFJACVLBMNH-UHFFFAOYSA-N 264.325 0.877 10 10 CCCE O=C(N[C@H]1CCCCC[C@@H]1O)c1cc(O)nc(O)c1 135924789 FLZITAGASOLBNX-UWVGGRQHSA-N 266.297 0.916 10 10 CCCE COC(=O)[C@H](C[C@H](N)Cc1ccc(O)c(O)c1)OC 1951992999 KDQPXWUEMLCLDD-SKDRFNHKSA-N 269.297 0.546 10 10 CCCE NC(=O)C1CCN(S(=O)(=O)Cc2ccc(N)cc2)CC1 20556245 PHDNZUGUZBINQS-UHFFFAOYSA-N 297.380 0.296 10 10 CCCE O=C1CCN(c2ccc3c(c2)NC(=O)[C@@H]3O)CCCN1 2145343191 DBQDJLVFOMKESK-CYBMUJFWSA-N 275.308 0.389 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@H](N)c1cn(C)nn1 1968857254 JVVVNGUDXOIJMR-GFCCVEGCSA-N 275.312 0.179 10 10 CCCE CCCNC(=O)NC(=O)CN(C)Cc1ccc(N)cc1 2148888910 NLKDIPWLFNFDIN-UHFFFAOYSA-N 278.356 0.936 10 10 CCCE C[C@@H]([C@@H](O)c1ccc2c(c1)CCN2C)S(=O)(=O)N(C)C 2145718679 ARQRWZVMAVTQLR-IINYFYTJSA-N 298.408 0.992 10 10 CCCE Nc1ccc(OC[C@H](O)CN2C[C@@H]3C[C@H](O)[C@H]3C2)cc1 2151390741 FJCKMOUXOOVKAI-FDEJFUCISA-N 278.352 0.321 10 10 CCCE O=C(CN1C[C@H]2C[C@@]1(CO)CO2)c1ccc(O)c(O)c1 2150995632 FQAMUIUARXIMFD-QMTHXVAHSA-N 279.292 0.116 10 10 CCCE CC(C)(C)n1nnc([C@@H](O)[C@H](N)c2ccccc2O)n1 2148146175 BWGUNZSGBQTNHR-MNOVXSKESA-N 277.328 0.867 10 10 CCCE COCCNCc1ccc(N(C)CC(N)=O)c(Cl)c1 163967195 HPPPPXJQYQKCGR-UHFFFAOYSA-N 285.775 0.998 10 10 CCCE CC1(C)[C@@H](CO)OCCN1C(=O)c1ccc(O)c(O)c1 2159642870 FXLIABHKQHMVLY-GFCCVEGCSA-N 281.308 0.710 10 10 CCCE COc1cccc(O)c1CN(CCO)C[C@@H]1CCCN1 2160723742 LJISXWISTSNOPG-LBPRGKRZSA-N 280.368 0.947 10 10 CCCE COc1ccc(CNCC(F)(F)C(N)=O)c(O)c1 2029283261 KRUVFMLKURCMJP-UHFFFAOYSA-N 260.240 0.611 10 10 CCCE C[C@H]1CCN[C@@H]1CNC(=O)c1cccc(O)c1O 2033148246 WRFSQIPKJRVNRR-WCBMZHEXSA-N 250.298 0.826 10 10 CCCE CN(C)[C@H]1CCN(S(=O)(=O)Cc2ccc(N)cc2)C1 62965250 ZEFKJAOPDPWZMF-ZDUSSCGKSA-N 283.397 0.735 10 10 CCCE CSC[C@@H](NC(=O)c1cc(O)nc(O)c1)C(=O)O 2040035242 FEIGBERMSBMEBI-ZCFIWIBFSA-N 272.282 0.039 10 10 CCCE CCn1nc(C)c([C@@H](NCCN=[N+]=[N-])C(N)=O)c1C 307987720 LFSVDXDBTNWNBM-SNVBAGLBSA-N 265.321 0.946 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CCC(F)(F)[C@H](CO)C1 403567622 FOCYYVCMQGXDMH-QMMMGPOBSA-N 288.250 0.583 10 10 CCCE C[C@H](N)c1ccc(N2C[C@H]3C[C@H]2CS3(=O)=O)cc1O 322126904 SOEZCACATGDIQC-INTQDDNPSA-N 282.365 0.788 10 10 CCCE CO[C@@H]1COC[C@H]1N(C)CC(=O)Nc1ccc(N)cc1 2177271321 PHAQGMGAVBVKFM-CHWSQXEVSA-N 279.340 0.553 10 10 CCCE CN1CC[C@@](O)(CNCc2ccc(O)cc2O)C1 702571711 BUURVRZEFUKALU-CYBMUJFWSA-N 252.314 0.254 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N(C)C(CO)CO)c(Cl)cc21 380770304 QFDJYPDIUDTBQD-LBPRGKRZSA-N 299.758 0.342 10 10 CCCE Nc1ccc(OCC(=O)NCCn2cnnc2)cc1 381679592 JJEJLFOZFHPRAD-UHFFFAOYSA-N 261.285 0.056 10 10 CCCE O=C(N[C@@H]1CCCS(=O)(=O)CC1)c1cccc(O)c1O 694157160 WKPODTJKRDXNAB-SECBINFHSA-N 299.348 0.795 10 10 CCCE COC(=O)[C@@H](C)S(=O)(=O)N(C)Cc1ccccc1O 383998784 WCPBGZLEPOBCLZ-SECBINFHSA-N 287.337 0.715 10 10 CCCE Nc1ccc(OCC(=O)NCC[C@H](O)C(F)F)cc1 717381264 WUVIHNBDTGAYGG-JTQLQIEISA-N 274.267 0.780 10 10 CCCE CNCc1ccc(N2C[C@H]3C(=O)NC(=O)[C@H]3C2)c(F)c1 386639299 IKDRBUARIYARQC-AOOOYVTPSA-N 277.299 0.254 10 10 CCCE COc1cc(N)c(N2CC(NC(C)=O)C2)cc1OC 387636028 ZRZZEFIBPIVKOP-UHFFFAOYSA-N 265.313 0.611 10 10 CCCE CN1CCN(c2c(F)cc(CO)cc2F)[C@@H](CO)C1 699543436 NIFGROZTVZYEBY-SNVBAGLBSA-N 272.295 0.570 10 10 CCCE C[C@@H](CN)S(=O)(=O)NCc1ccc(N(C)C)cc1 722229860 CUVYRBMOFHVANF-JTQLQIEISA-N 271.386 0.519 10 10 CCCE COc1cccc(CN[C@@H]2CCN(C(N)=O)C2)c1O 393289405 JTVDBVJWRMBRHP-SNVBAGLBSA-N 265.313 0.643 10 10 CCCE CCON(C)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 396428135 BXMLYWJBRJTVRC-VIFPVBQESA-N 254.286 0.378 10 10 CCCE [N-]=[N+]=NCC1CCN(C(=O)[C@H]2[C@@H]3CS(=O)(=O)C[C@@H]32)CC1 2174576006 JIYBGPBIKZBFIR-URLYPYJESA-N 298.368 0.826 10 10 CCCE O=C(N[C@H](C(=O)O)C1(O)CCC1)c1ccc(O)c(O)c1 2188011775 CLWYRQDUJOQPHB-SNVBAGLBSA-N 281.264 0.196 10 10 CCCE CC1(C[S@](C)(=O)=NC(=O)c2ccc(O)c(O)c2)CNC1 2192771293 GUZSEKRYBXGRQA-FQEVSTJZSA-N 298.364 0.945 10 10 CCCE C[C@@H](C(=O)N(C)[C@H](C)c1ccccc1O)N1CC(N)C1 2188315642 VCGCOQSRXLQMBW-MNOVXSKESA-N 277.368 0.943 10 10 CCCE CN(C)C[C@@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)C1 2188873868 AWAPCFLPJPXEEH-VIFPVBQESA-N 280.324 0.827 10 10 CCCE C[C@@H]1OCCO[C@H]1CNC(=O)c1cc(O)c(O)c(O)c1 2188913658 UNXSASBWZSEERJ-CPCISQLKSA-N 283.280 0.337 10 10 CCCE OC[C@H]1CCc2nnc(-c3cc(O)c(O)c(O)c3)n2C1 2188911834 GACYBNJKSGDXRW-ZETCQYMHSA-N 277.280 0.617 10 10 CCCE CNCc1ccc(N2CCN(C(=O)COC)CC2)cc1 2182583625 SALOVGIMKXEBSM-UHFFFAOYSA-N 277.368 0.701 10 10 CCCE Nc1ccc(OCCS(=O)(=O)NC[C@@H]2C=CCN2)cc1 2199013535 LKXLDWXCPABJNU-LBPRGKRZSA-N 297.380 0.095 10 10 CCCE OC1CN([C@@H]2CCN(c3ccc4c(c3)CC[C@H]4O)C2)C1 2184734678 WOOHBXDRPHUCLH-CZUORRHYSA-N 274.364 0.921 10 10 CCCE Nc1ccc(CNC(=O)[C@@]2(C(=O)O)CCCCO2)cc1 2190610822 ZPVJVYKTRGZBLY-CQSZACIVSA-N 278.308 0.909 10 10 CCCE C[C@@H](c1ccccc1O)N(C)C(=O)[C@H](N)[C@@H](C)O 2054734449 LRQWJHWYWBNPRO-YGOYTEALSA-N 252.314 0.620 10 10 CCCE Nc1ccc(CC(=O)NC[C@H]2CNC3(CC3)CO2)cc1 2191893142 VUEFQMCZCDMTOF-ZDUSSCGKSA-N 275.352 0.449 10 10 CCCE CN(C(=O)C1=C[C@@H](O)[C@@H](N)C1)c1ncccc1F 2067764443 ANBRTSFCNUOXCN-VHSXEESVSA-N 251.261 0.202 10 10 CCCE C[C@@H](NC(=O)[C@]1(N)C[C@@H](O)C1)c1ccccc1O 2073218450 AAGCZXBRZGEAMP-KKFJDGPESA-N 250.298 0.422 10 10 CCCE C[C@H](c1ccc(O)cc1O)N1CC(O)(C(=O)O)C1 2081050619 VCORCBVHRJGMCT-SSDOTTSWSA-N 253.254 0.290 10 10 CCCE Cc1cc(N2CC[C@H](N3CC(O)C3)C2)ccc1CN 2102529124 ZROAUYNUSNTCRQ-AWEZNQCLSA-N 261.369 0.709 10 10 CCCE Oc1cc(F)ccc1CN1CCN[C@H]2COC[C@H]21 2084073029 CYPSZHHPLHWVOG-NWDGAFQWSA-N 252.289 0.704 10 10 CCCE CCN1CCc2cc([C@H](O)CN(C)CCN)ccc21 2106800724 KKCSSWDLFTVDAY-OAHLLOKOSA-N 263.385 0.993 10 10 CCCE CCOc1cccc(CN[C@@H]2C[C@H](O)C[C@@H]2O)c1O 2108797670 QFQVEEAMZUYYHV-TUAOUCFPSA-N 267.325 0.765 10 10 CCCE CN1CC(N(C)c2ccc3c(c2)N(C)C(=O)[C@H]3O)C1 2089246491 GTOPTGBIDVPHTM-ZDUSSCGKSA-N 261.325 0.447 10 10 CCCE Nc1ccc(O)c(CN2[C@H](CO)C[C@H]3OCC[C@@H]32)c1 2090535415 RZNRFHVSNNGSSX-SGMGOOAPSA-N 264.325 0.699 10 10 CCCE Nc1ccc(OCCN2C[C@H]3C[C@@]2(CO)CO3)cc1 2094650702 FZPNPUILPNBYJW-ZIAGYGMSSA-N 264.325 0.483 10 10 CCCE CNCc1ccc(N2C[C@H]3[C@@H](C2)OCCN3C)cc1 2097703921 UEIPJFIMZLULMI-LSDHHAIUSA-N 261.369 0.925 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CCOC[C@@H](CO)C1 2098242964 NTDRNQPUQNALOR-SECBINFHSA-N 267.281 0.179 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CC(n2cnnc2)C1 2113831649 CKUQMFLMCVRYQR-UHFFFAOYSA-N 260.253 0.386 10 10 CCCE CCS(=O)(=O)C[C@](C)(O)[C@@H](NC)c1ccccc1O 2114113781 ZXIAFVNUYQAMBM-STQMWFEESA-N 287.381 0.838 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NCCCC1CNC1 2114836292 XBEKZNPOQJXIKX-UHFFFAOYSA-N 264.325 0.756 10 10 CCCE NCc1cn(C2CN(Cc3ccc(F)cc3O)C2)nn1 2204627684 RTXMQBMDJCRXBL-UHFFFAOYSA-N 277.303 0.638 10 10 CCCE O[C@H]1CCCc2cc(N3C[C@@H](O)[C@H](O)[C@H]3CF)ccc21 2205591620 TXWFNOHXCYHYOT-LXTVHRRPSA-N 281.327 0.936 10 10 CCCE Nc1ccc(CS(=O)(=O)NC[C@@H]2C[C@H]3NCC[C@@H]23)cc1 2205647626 DRSREKTYQUTZIH-FPMFFAJLSA-N 295.408 0.686 10 10 CCCE COc1ccc(N(C)C(C)(C)C(N)=O)c(CN)c1 2220416526 ATYSKMHRERVREE-UHFFFAOYSA-N 251.330 0.854 10 10 CCCE [N-]=[N+]=N[C@@H]1CCC[C@@H]1NC(=O)c1cc(O)nc(O)n1 2225802488 ZCHKNQBGCIPAMI-NTSWFWBYSA-N 264.245 0.849 10 10 CCCE COc1ccc(N2CC3(C2)OC[C@@H](O)[C@@H]3O)cc1F 2226773427 CVICSKBMEAAAHS-PWSUYJOCSA-N 269.272 0.145 10 10 CCCE OC[C@@H]1NC[C@@H]2CN(Cc3c(O)cccc3F)C[C@@H]21 2227323172 XKJQXEXAGBEPDC-NRUUGDAUSA-N 266.316 0.543 10 10 CCCE COc1ccc(N2C[C@H](O)[C@@H]3COC[C@@H]32)c(CN)c1 2227672262 GREBZMBCRLSXHH-XBFCOCLRSA-N 264.325 0.350 10 10 CCCE Cc1nc(NC(=O)[C@@H](N)Cc2ccc(O)c(O)c2)no1 2241083449 LNKHNTOHXKDOAN-QMMMGPOBSA-N 278.268 0.298 10 10 CCCE C[C@@H](O)CN(CCN)c1ccc2c(c1)OCCO2 2257587401 MCBZBLVWXRLPKB-SNVBAGLBSA-N 252.314 0.604 10 10 CCCE CS(=O)(=O)C1CC([C@@H](NN)c2ccccc2O)C1 2257537328 PMKNQCRWMARQFJ-SHVIVCPWSA-N 270.354 0.720 10 10 CCCE CN(Cc1ccccc1O)C(=O)c1cn[nH]c(=N)c1 2273965519 CMGSURPGAUPLMU-UHFFFAOYSA-N 258.281 0.867 10 10 CCCE COc1n[nH]cc1CNS(=O)(=O)Cc1ccc(N)cc1 2283805309 QVMLHAGRMKXYDH-UHFFFAOYSA-N 296.352 0.620 10 10 CCCE COC[C@@H]1[C@@H](O)[C@H](O)CN1c1ccc(OC)c(C)c1C 2284598873 PEBAVUOIEIZTTF-UMVBOHGHSA-N 281.352 0.869 10 10 CCCE COC[C@](CN)(NCc1cnc(SC)s1)C(=O)O 2326009792 GFKUPKRIPKCYAS-JTQLQIEISA-N 291.398 0.383 10 10 CCCE OCc1ccc(N2C[C@@H](O)C[C@H](O)C2)cc1C1CC1 2339147506 NKDVJBREZWDJLU-KBPBESRZSA-N 263.337 0.988 10 10 CCCE N[C@@H]1CCc2cc(N3CC4(COC(=O)N4)C3)ccc21 2351881891 QWSONSATLABGAP-GFCCVEGCSA-N 259.309 0.931 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1C[C@@H]2CC[C@@H]1C2 105274041 WXTGUQWTJAASNL-UTUOFQBUSA-N 276.336 0.979 10 10 CCCE CCOC(=O)[C@@H](N)[C@@H](OC)c1ccc(O)c(O)c1 1952307206 WTFXZKQIVPKLRT-QWRGUYRKSA-N 255.270 0.676 10 10 CCCE CCOC(=O)[C@@H]1CNCCN1Cc1ccc(OC)cc1O 88658318 LIADFQHDGTTZOJ-ZDUSSCGKSA-N 294.351 0.738 10 10 CCCE C[C@@H](CNC(=O)c1ccc(O)c(O)c1)[S@@](C)=O 226999793 DTTDNBRDMCRSGH-BWKAKNAASA-N 257.311 0.595 10 10 CCCE NC(=O)[C@H]1CCCN(C(=O)CCOc2ccc(N)cc2)C1 40293094 ZNPHLEAJWZLOJJ-NSHDSACASA-N 291.351 0.762 10 10 CCCE CN[C@H](C)c1ccc(N2CCNC(=O)[C@@H]2C)cc1O 93671640 FVHKBCURXJSEOC-ZJUUUORDSA-N 263.341 0.997 10 10 CCCE CN(C)c1ccc([C@@]2(N)CS(=O)(=O)N(C)C2(C)C)cc1 2163062345 LVKDGBTYEKVTDV-AWEZNQCLSA-N 297.424 0.960 10 10 CCCE CC(=O)C(=O)COC(=O)[C@@H]1CCCN1C(=O)C(C)C 808510658 BLBCWFMCZVSIBZ-JTQLQIEISA-N 269.297 0.335 10 10 CCCE CNC1(C(N)=O)CN([C@H](C)c2cc(OC)ccc2O)C1 2165765504 OYMKWEPCVWOKIM-SECBINFHSA-N 279.340 0.221 10 10 CCCE CC(=O)N1CCO[C@H](C(=O)N[C@H](C)c2ccccc2O)C1 828534760 JJOMXAMTNNWNSS-YGRLFVJLSA-N 292.335 0.817 10 10 CCCE COC(=O)/C=C/c1ccc(N(C)CC(N)=O)c([N+](=O)[O-])c1 917067935 CCFWVSGAOGVIDG-GQCTYLIASA-N 293.279 0.703 10 10 CCCE CN(c1ccc(N)cc1)S(=O)(=O)c1cn(C)cn1 52095926 GLBSOBHCGCAFFH-UHFFFAOYSA-N 266.326 0.827 10 10 CCCE CNCCOCCNC(=O)NCc1ccccc1O 861676109 NZQBIAQEWSSHAF-UHFFFAOYSA-N 267.329 0.427 10 10 CCCE Nc1ccc(CC(=O)N2CCOC[C@H](C(=O)O)C2)cc1 700449386 DFQWYODVABSQHW-LLVKDONJSA-N 278.308 0.371 10 10 CCCE Cn1ccc(CCNC(=O)Cc2ccc(O)c(O)c2)n1 1138063392 TWMHKKXOWFVLAW-UHFFFAOYSA-N 275.308 0.733 10 10 CCCE O=C(O)[C@@]12CN(Cc3ccc(O)cc3O)C[C@H]1CCO2 707693214 CMDXLSCWASREIL-QMTHXVAHSA-N 279.292 0.773 10 10 CCCE C[C@@H]1CN(C(=O)[C@@H]2CNc3ccccc3N2)C[C@@H]1CO 709347153 QJWGOZRHAYKRDK-GYSYKLTISA-N 275.352 0.979 10 10 CCCE CN(C)CC1(O)CCN(Cc2cc(N)ccc2O)CC1 710605477 CZDNQLOZWPTJGZ-UHFFFAOYSA-N 279.384 0.863 10 10 CCCE Nc1ccc(OCC(=O)N2CCS[C@@H](CO)C2)cc1 720010262 AQKPWDMKRTUFSR-GFCCVEGCSA-N 282.365 0.584 10 10 CCCE Cc1ncc(S(=O)(=O)NCc2cc(N)ccc2O)[nH]1 70418364 WKFCIDYDCYGXDF-UHFFFAOYSA-N 282.325 0.484 10 10 CCCE CCN1CC[C@H]1C(=O)NCc1cc(O)ccc1O 1153884663 FEQJQINCTMVIAT-NSHDSACASA-N 250.298 0.808 10 10 CCCE Oc1ccccc1CNC[C@@H]1C[C@H]2C[C@H]1[C@@H](O)[C@H]2O 2117790168 RDMPYGXZDVOVBL-ZZVJUGKHSA-N 263.337 0.860 10 10 CCCE C[C@H](N)c1ccc2c(c1)CCN2Cc1nc(=O)o[nH]1 2116663727 BMKMZSYEDITCIC-QMMMGPOBSA-N 260.297 0.945 10 10 CCCE CO[C@H]1COC[C@H]1NCc1cc2c(cc1O)OCO2 2120772971 CEWOXMAQTBKPGL-RNCFNFMXSA-N 267.281 0.624 10 10 CCCE CC1(C)C[C@@H](CO)CN1C(=O)c1cc(O)nc(O)c1 2127821109 FLJMJOOPZTYSJF-MRVPVSSYSA-N 266.297 0.726 10 10 CCCE CN(CCOc1ccc(N)cc1)C[C@]1(O)CCOC1 2129440025 FRFBITDIVLWKGW-CQSZACIVSA-N 266.341 0.731 10 10 CCCE C[C@@H]1CNC(=O)CN1CC(=O)Nc1ccc(N)cc1 2124760437 ZGXWSPCSMAABMW-SECBINFHSA-N 262.313 0.028 10 10 CCCE O=C(N[C@H]1C[C@H](C(=O)O)C1)c1cc(O)c(O)c(O)c1 2132348296 IOGGGGARLJLDFL-LJGSYFOKSA-N 267.237 0.396 10 10 CCCE CN(C1(CCO)CC1)S(=O)(=O)Cc1ccc(N)cc1 2133543396 VRBWTHPETOSBSF-UHFFFAOYSA-N 284.381 0.945 10 10 CCCE C[C@@H](F)[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)O 2133565523 AKQLCJQTCVVTGO-KSBSHMNSSA-N 271.244 0.568 10 10 CCCE Cc1sc(NN(C)S(C)(=O)=O)nc1C(=O)O 1901339193 JXSOJVGHLZHVBP-UHFFFAOYSA-N 265.316 0.368 10 10 CCCE O=C1OCC[C@@H]1NC(=O)N1Cc2cccc(O)c2C1 1349003120 IRNLJCGUCMPOAY-JTQLQIEISA-N 262.265 0.733 10 10 CCCE CNCc1ccc(N2[C@H]3CC[C@H]2[C@@H](O)[C@H](O)C3)cc1 2133909959 QSTKYFRVEMGQES-BYNSBNAKSA-N 262.353 0.869 10 10 CCCE C[C@@H](NCC(O)(CO)CO)c1ccc(N(C)C)cc1 1913787045 VBGXMKXYPZTFNZ-LLVKDONJSA-N 268.357 0.119 10 10 CCCE CO[C@@H]1CS(=O)(=O)C[C@@H]1N1CC[C@H](N=[N+]=[N-])C1 1912168780 GDLAJCMDOVURNE-XHNCKOQMSA-N 260.319 0.183 10 10 CCCE COC[C@@H]1CC[C@](NCCCN=[N+]=[N-])(C(N)=O)C1 1912181059 JNGIKMAXIIGLKU-MWLCHTKSSA-N 255.322 0.947 10 10 CCCE CN(CCN=[N+]=[N-])C(=O)C[C@@H]1CCS(=O)(=O)C1 1912165934 QMFUAFCRABDXLW-QMMMGPOBSA-N 260.319 0.580 10 10 CCCE Nc1ccc(NC(=O)N2CC[C@@H](O)C[C@@H]2CO)cc1 2136079052 ASGRVLLSJDCTCR-VXGBXAGGSA-N 265.313 0.618 10 10 CCCE C[C@]1(NC(=O)c2ccc(O)c(O)c2)CCS(=O)(=O)C1 226953582 QUMSQWSCXRHIIS-LBPRGKRZSA-N 285.321 0.405 10 10 CCCE CN1CCC[C@H](NC(=O)c2ccc(O)c(O)c2)C1 227026967 DVVHRQZYQHBXDL-JTQLQIEISA-N 250.298 0.922 10 10 CCCE C[C@H]1CCNC[C@H](CO)N1c1ccc2c(c1)OCO2 217097544 GOVPDVWBHWMVOG-CMPLNLGQSA-N 264.325 0.964 10 10 CCCE COc1ccc(N2CCC(=O)N[C@@H](C(=O)O)C2)cc1 217054904 HQQRIICKPHJLHR-LLVKDONJSA-N 264.281 0.475 10 10 CCCE CN(C)[C@@H]1COC[C@@H]1CNC(=O)Cc1ccc(N)cc1 1924640408 AHKAUNXHJNYLNU-GXTWGEPZSA-N 277.368 0.504 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NC[C@H](O)C1CCOCC1 1622371462 ZQJKKWIGOHVTGL-AWEZNQCLSA-N 295.335 0.544 10 10 CCCE COCn1ccc(C(=O)NCc2c(O)cccc2O)n1 1652625775 LZEOVDITCGGMRU-UHFFFAOYSA-N 277.280 0.828 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@H]2CCC[C@H]2CO)cc1 231251927 BQGNFLJKVIBGIL-AAEUAGOBSA-N 284.381 0.849 10 10 CCCE CN1NC(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)C1=O 169996283 BKMKVZUFMIIIGX-ZETCQYMHSA-N 283.234 0.413 10 10 CCCE CC[C@@H]1C[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 233939766 USQBHQIGCSINJC-VWYCJHECSA-N 264.325 0.882 10 10 CCCE CC(C)(C)NS(=O)(=O)NCCOc1ccc(N)cc1 126105066 TYWOHKKBIUNZDQ-UHFFFAOYSA-N 287.385 0.870 10 10 CCCE CS[C@@H]1COC[C@H]1NC(=O)COc1ccc(N)cc1 2142556503 URSMOIJODVXDLD-VXGBXAGGSA-N 282.365 0.894 10 10 CCCE C[C@@]1(C(N)=O)CCN(CC(=O)c2ccc(O)c(O)c2)C1 235432788 HTEJKFPBOCXMIO-CQSZACIVSA-N 278.308 0.478 10 10 CCCE NCCCN1CCN(C(=O)c2ccc(O)c(O)c2)CC1 236184015 XKRNKVCJUGKQDU-UHFFFAOYSA-N 279.340 0.204 10 10 CCCE C[C@H]1[C@@H](N)CCCN1C(=O)COc1ccc(N)cc1 1876492199 WBGPPENIUWOMGH-GWCFXTLKSA-N 263.341 0.986 10 10 CCCE C[C@H](O)[C@@H]1CN(C(=O)Cc2ccc(N)cc2)CCO1 1964377161 GQPXYNOPEOCVKY-GWCFXTLKSA-N 264.325 0.420 10 10 CCCE O=C1Nc2cc(N3C[C@@H]4COCC[C@H]43)ccc2[C@@H]1O 1878825913 XCKLHMHRAYRHEQ-WQHBLYJGSA-N 260.293 0.897 10 10 CCCE CN(C[C@H]1COCCO1)c1ccc(CO)cc1[N+](=O)[O-] 1969446213 MXAZRPMWLAYLHF-NSHDSACASA-N 282.296 0.939 10 10 CCCE C[C@H](O)[C@@H](CO)NCc1cccc(Br)c1O 1982032097 KYBLXHHLTQDLSL-OIBJUYFYSA-N 290.157 0.986 10 10 CCCE Nc1ccc(CCC(=O)NCCNC(=O)C2CC2)cc1 160633619 DVBFBQKRINCCHV-UHFFFAOYSA-N 275.352 0.844 10 10 CCCE O=C(NC1CCNCC1)c1cc(O)c(O)c(O)c1 170190790 BVASYQYTGIJLLB-UHFFFAOYSA-N 252.270 0.285 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1C[C@H]2CCC[C@]2(CO)C1 2159402163 UBYDQSWCTLNWCX-QMTHXVAHSA-N 278.308 0.727 10 10 CCCE C[C@H](N)c1ccc(N2CC[C@@H]3C(=O)NC[C@H]3C2)cc1O 2157183537 JFQWARKIPLPAIR-KWBADKCTSA-N 275.352 0.984 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)[C@@H]1NC[C@@H]2CC[C@H]21 2157121003 RKIZLBYEQLBIFB-MISXGVKJSA-N 276.336 0.755 10 10 CCCE CS(=O)(=O)CS(=O)(=O)N1CCC[C@@H](N=[N+]=[N-])C1 403691169 ZIIZHUDRQRSGQS-SSDOTTSWSA-N 282.347 0.093 10 10 CCCE C[C@@H](O)c1ccc(N2CC[C@H]3C(=O)NC(=O)[C@@H]3C2)cc1 2158789423 LMYGJNANRNSJRZ-OASPWFOLSA-N 274.320 0.839 10 10 CCCE CN(C)c1ccc(CNCCCNS(C)(=O)=O)cc1 79065522 PPWAKOBZEKVURK-UHFFFAOYSA-N 285.413 0.782 10 10 CCCE CCN(c1ccc(CNC)cc1C)[C@@H]1CC(=O)NC1=O 2171193418 SZGHJILQUIVOSZ-CYBMUJFWSA-N 275.352 0.956 10 10 CCCE CCN(Cc1cccc(OC)c1O)[C@@H]1CC(=O)NC1=O 2171201187 ITDFTVUFLBZBDO-SNVBAGLBSA-N 278.308 0.638 10 10 CCCE CN1C(=O)N[C@H]2CN(c3ccc(CN)c(F)c3)CC[C@@H]21 2171305098 NIRXDCLDZBQWNZ-STQMWFEESA-N 278.331 0.887 10 10 CCCE 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262.309 0.779 10 10 CCCE Nc1ccc(O)c(CN2C[C@@H](O)C3(CCOCC3)C2)c1 2174377008 PKMPNNRBWMZZPD-CQSZACIVSA-N 278.352 0.948 10 10 CCCE C[C@H](O)c1ccc(N2CC[C@]3(C2)NC(=O)NC3=O)cc1 2170607921 SFQDHNHHMDMRIP-LKFCYVNXSA-N 275.308 0.528 10 10 CCCE C[C@H](O)[C@H]1CCCN1C[C@@H](O)COc1ccc(N)cc1 2193597130 NZMSWJGSRHULMK-NJZAAPMLSA-N 280.368 0.854 10 10 CCCE CCN(c1ccc2c(c1)CC[C@H]2O)[C@H]1CC(=O)NC1=O 2184732266 RZVJNBVMMPYSAC-QWHCGFSZSA-N 274.320 0.908 10 10 CCCE CC1(C)C(=O)NC(=O)CN1c1ccc2c(c1)CC[C@@H]2N 2184731960 OPAGXQBVHFZYCA-LBPRGKRZSA-N 273.336 0.874 10 10 CCCE CN[C@@H](c1ccc2c(c1)CCN2C)[C@H](O)COC 2044752379 MBYDZXAJVHEIRV-KGLIPLIRSA-N 250.342 0.947 10 10 CCCE C[C@@H](N)c1ccc(N2CC[C@H]3OCC(=O)N[C@H]3C2)cc1 2185521159 HMIBCUJCFUPRCY-DDTOSNHZSA-N 275.352 0.800 10 10 CCCE COc1ccc(O)c([C@H](C)N[C@@H](CO)[C@H](C)O)c1 2053800654 QTOVWLJEFFYLNE-AUTRQRHGSA-N 255.314 0.793 10 10 CCCE COc1ccc([C@H](C)N[C@H](CO)[C@H](C)O)c(O)c1 2053800786 RIPAPQDCANMZCZ-HOTUBEGUSA-N 255.314 0.793 10 10 CCCE 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CCOc1cccc([C@H](N)C(=O)NCCOC)c1O 83497382 ZYXXJCNRQVNXBT-NSHDSACASA-N 268.313 0.553 10 10 CCCE COC(=O)CNCc1cc(O)c(O)c([N+](=O)[O-])c1 83413742 HASJVLGZVHSQTE-UHFFFAOYSA-N 256.214 0.269 10 10 CCCE CNCCCNC(=O)[C@@H](N)c1cc(F)ccc1O 83409760 AABGDQMXPRZJMX-NSHDSACASA-N 255.293 0.257 10 10 CCCE CC1(C)NC(=O)N(CCC(=O)NCCCN=[N+]=[N-])C1=O 701292012 STEJIXOIXNVFEI-UHFFFAOYSA-N 282.304 0.524 10 10 CCCE CCO[C@H]1COCC[C@]1(NCCCN=[N+]=[N-])C(=O)O 686606538 WTHOHNRFGINVOM-GXSJLCMTSA-N 272.305 0.925 10 10 CCCE C[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)Nc1ccc(N)cc1 711729281 MGPKJWHVYSVSMP-LDYMZIIASA-N 283.353 0.823 10 10 CCCE COC[C@@](C)(CO)N(C)CCOc1ccc(N)cc1 689787133 UZVBTTGOTSSPAY-CQSZACIVSA-N 268.357 0.977 10 10 CCCE CNCc1ccc(N2C[C@H](O)C[C@H]2CO)c(Cl)c1 698173360 DROPVOFYLLEACR-WDEREUQCSA-N 270.760 0.991 10 10 CCCE CN(C)C[C@H]1C[C@H](O)CN1C(=O)Cc1ccc(N)cc1 97244579 MBTRONLRNATNDZ-KGLIPLIRSA-N 277.368 0.335 10 10 CCCE CCOC1(CO)CN(C(=O)c2cccc(O)c2O)C1 2116383810 ZGNCAHSFKSKMEF-UHFFFAOYSA-N 267.281 0.321 10 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[N-]=[N+]=N[C@H]1CCCN(C(=O)[C@@H]2CCS2(=O)=O)C1 1912153180 FBNDLVGOYJRQOK-YUMQZZPRSA-N 258.303 0.475 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NCCNc1cnccn1 1442339577 XVSLRFVZRHLSIE-UHFFFAOYSA-N 288.307 0.659 10 10 CCCE CNC(=O)[C@@H]1CCCN1C(=O)c1ccc(O)c(O)c1 226996882 GNMOGFLLCMXBOL-VIFPVBQESA-N 264.281 0.448 10 10 CCCE C[C@@H]1CN(c2ccc3c(c2)OCO3)[C@H](CN)C(=O)N1 216975696 KMMQMZZGNPCTLN-PSASIEDQSA-N 263.297 0.067 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NCCN1CCCC1=O 1628589878 KKLNPVPRQPJKSF-UHFFFAOYSA-N 278.308 0.379 10 10 CCCE CCNC(=O)[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C(C)C 1624913552 HZNVDAQCWHWSJJ-AWEZNQCLSA-N 294.351 0.917 10 10 CCCE C[C@H](C[S@](C)=O)NC(=O)[C@@H]1CNc2ccccc2N1 229885054 UXMYQRGFPVOIKX-AZNYZMOJSA-N 281.381 0.776 10 10 CCCE C[C@@H]1CCN(c2ccc3c(c2)N(C)C(=O)[C@@H]3N)C[C@@H]1O 230261056 WZRZZUDVFDAIJZ-BIGNPOOSSA-N 275.352 0.870 10 10 CCCE C[C@@H](NCc1nnc2c(=O)[nH]ccn12)c1ccccc1O 1659815794 UWHZDJCNXPQQKU-SECBINFHSA-N 285.307 0.974 10 10 CCCE O=C(c1cc(O)nc(O)c1)N(CCO)CC(F)(F)F 231337086 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CN(CCCN=[N+]=[N-])C(=O)[C@@H]1CO[C@@H]2COC[C@@H]21 2040334393 NBPICKYNFJKAOS-OPRDCNLKSA-N 254.290 0.807 10 10 CCCE C[C@@H]1CNCCCN1C(=O)c1cc(O)nc(O)c1 2041188332 GERAKUDKJFSDQR-MRVPVSSYSA-N 251.286 0.317 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CC[C@H]2NCC[C@@H]2C1 311914486 ROQWHHAAIXDTDR-GHMZBOCLSA-N 262.309 0.922 10 10 CCCE CS(=O)(=O)N1CCN([C@@H]2CCc3cccc(O)c32)CC1 312905533 ZJCNOAXCWKXUHX-GFCCVEGCSA-N 296.392 0.957 10 10 CCCE C[C@H](O)c1ccc(N2CCN3C(=O)NC(=O)[C@H]3C2)cc1 2171305567 SRSDNGRUPWXTLM-JOYOIKCWSA-N 275.308 0.480 10 10 CCCE OCCNC1CCN(Cc2ccc(O)c(O)c2)CC1 686275668 RHINMFOCIFLJSK-UHFFFAOYSA-N 266.341 0.644 10 10 CCCE NCc1ccc(N2CCC[C@H](CO)[C@H]2CO)c(F)c1F 709804828 IAQGDVNFCGJPKO-ZYHUDNBSSA-N 286.322 0.993 10 10 CCCE Nc1ccc(O)c(CN2CCC[C@@H](CO)[C@@H]2CO)c1 709792933 HRSSJTROFBUTJK-GWCFXTLKSA-N 266.341 0.540 10 10 CCCE COc1ccc(O)c(CN2C[C@@H](OC)[C@@H](C(=O)O)C2)c1 690068630 ONBAGDGZNNFGMH-WCQYABFASA-N 281.308 0.932 10 10 CCCE NC(=O)C1(N)CCN(c2ccc3c(c2)OCCO3)CC1 2162630796 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CN(C)c1ccc(CNC(=O)[C@]2(CO)CCCN2)cc1 2168638288 XOHWERMNIPARKX-OAHLLOKOSA-N 277.368 0.483 10 10 CCCE C[C@@H](N)c1ccc2c(c1)CCN2CC(CO)(CO)CO 2179745726 PKOIZWKBLGFLBS-LLVKDONJSA-N 280.368 0.032 10 10 CCCE O=[N+]([O-])c1ccc(N2CC(n3cnnc3)C2)cc1CO 2170188838 SIAQZFZWXIXRDG-UHFFFAOYSA-N 275.268 0.740 10 10 CCCE C[C@@H](c1ccccc1O)N(C)C(=O)N[C@H](CO)C(=O)O 2192565892 CLXQWQBBAMVOJF-WCBMZHEXSA-N 282.296 0.540 10 10 CCCE C[C@H](c1ccccc1O)N(C)C(=O)C1=C[C@H](O)[C@@H](N)C1 2188028850 BRHXTEIGKXEBEU-LQJRIPTKSA-N 276.336 0.930 10 10 CCCE Nc1ccc(NC(=O)N2CC[C@@H](O)[C@@H](O)C2)cc1 1335689117 CSTOZAGLOMMJDT-MNOVXSKESA-N 251.286 0.228 10 10 CCCE COc1cccc(O)c1CN1C[C@H](N)CC[C@@H]1C(=O)O 2188776089 MLJMXRBUAMRSMR-MWLCHTKSSA-N 280.324 0.777 10 10 CCCE O=C1CC2(CCN(C(=O)c3cc(O)c(O)c(O)c3)C2)C1 2188921200 BDVCJDDTFUMEOK-UHFFFAOYSA-N 277.276 0.999 10 10 CCCE CC(C)N1C[C@H](O)[C@@H](N2CCc3cc(CN)ccc32)C1 2189917689 BOIFLKIXCXCBJO-HOTGVXAUSA-N 275.396 0.961 10 10 CCCE CN[C@H](CS(C)(=O)=O)c1ccc2c(c1)CCN2C 2044747596 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Cc1ccc(CN2CCNC[C@H]2CC(N)=O)c(O)c1 2343347128 RIKHGYOPXJDFAZ-GFCCVEGCSA-N 263.341 0.350 10 10 CCCE COc1ccc(CN2CCC[C@@H]2C(N)=O)c(O)c1 179584164 UQRQTSVUHRZXIP-LLVKDONJSA-N 250.298 0.851 10 10 CCCE NS(=O)(=O)CCCNCc1c(O)cccc1Cl 127317675 TVVWVAZUFZATQZ-UHFFFAOYSA-N 278.761 0.814 10 10 CCCE CCCNC(=O)CN(C)C[C@@H](O)COc1ccc(N)cc1 49026047 XIOFARPUAQSSNI-CYBMUJFWSA-N 295.383 0.467 10 10 CCCE C[C@H](c1ccccc1O)N1CCNC[C@@H]1C(=O)O 88658576 DLSFXRLRAKISEI-MWLCHTKSSA-N 250.298 0.812 10 10 CCCE CS[C@@H](CO)[C@H](C)NC(=O)c1cc(O)nc(O)c1 228245541 MECOGYFWPREIFN-XPUUQOCRSA-N 272.326 0.335 10 10 CCCE COCCS(=O)(=O)Nc1ccc(O)c(OC)c1 280569108 LJZUCFKSKWVPDT-UHFFFAOYSA-N 261.299 0.789 10 10 CCCE CC(=O)C(=O)COC(=O)c1cc(O)cc([N+](=O)[O-])c1 808527298 DHTUNFVYVQGPJR-UHFFFAOYSA-N 267.193 0.615 10 10 CCCE CN(C)c1ccc(/C=C\C(=O)NC[C@H](N)C(=O)O)cc1 701408494 DNDYLVRUBMWBFQ-JECSTDCCSA-N 277.324 0.294 10 10 CCCE C[C@H](NC[C@H](O)C[C@]1(O)CCOC1)c1ccccc1O 931558638 WBFQRLWCUIINFK-YWPYICTPSA-N 281.352 0.945 10 10 CCCE Cc1ccc(O)c([C@@H](N)C(=O)NCCCCCO)c1 83492815 OTRRFXCAOWAAMI-CYBMUJFWSA-N 266.341 0.979 10 10 CCCE C[C@@H]1CN(C(=O)[C@H]2CNc3ccccc3N2)C[C@@H]1CO 709347158 QJWGOZRHAYKRDK-JTNHKYCSSA-N 275.352 0.979 10 10 CCCE C[C@@](NCCCN=[N+]=[N-])(C(N)=O)C1CCNCC1 722036758 BCAXZCIZIZLYFS-NSHDSACASA-N 254.338 0.520 10 10 CCCE COC(=O)[C@H]1CCN(S(=O)(=O)Cc2ccc(N)cc2)C1 95017276 QZUHPRKIEYCCRZ-NSHDSACASA-N 298.364 0.594 10 10 CCCE CC(=O)C(=O)[C@](C)(O)CS(=O)(=O)C(C)(C)C 1980844526 HCIQRWIYTZTQLE-SNVBAGLBSA-N 250.316 0.109 10 10 CCCE COc1ccc(CN[C@@H](C)c2nc(=O)o[nH]2)c(O)c1 2121354300 STEFBOUCHLIKRE-ZETCQYMHSA-N 265.269 0.928 10 10 CCCE COc1ccc(N2CC[C@@H](CO)[C@H](N)C2)cc1OC 2122381586 NVVLCLXFCQSPFQ-CMPLNLGQSA-N 266.341 0.850 10 10 CCCE N[C@@H]1CCC12CN(C(=O)c1cc(O)c(O)c(O)c1)C2 2132399802 IDZFERCQMQSCPW-SNVBAGLBSA-N 264.281 0.367 10 10 CCCE C[C@@H]1CN2CCN1C[C@@H]2C(=O)NCc1c(O)cccc1F 1349385470 ZRCHDHWOSIFTHX-ZWNOBZJWSA-N 293.342 0.536 10 10 CCCE C[C@]12CCO[C@H]1[C@](NCCCN=[N+]=[N-])(C(N)=O)C2 1912146506 CAEOTVZPQXNVAM-IEBDPFPHSA-N 253.306 0.699 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCCN(C(=O)Cn2cnnn2)C1 1912202678 KZENGJZCUPOJJU-VIFPVBQESA-N 264.293 0.612 10 10 CCCE CCCNCc1ccc(N2CC(O)(C(N)=O)C2)c(Cl)c1 1915206384 SZSNZUOSVJOLBM-UHFFFAOYSA-N 297.786 0.876 10 10 CCCE CC(C)(C)NCc1ccc(N2CC(O)(C(N)=O)C2)cc1 1915250677 SNBLMDMDKRSVPF-UHFFFAOYSA-N 277.368 0.611 10 10 CCCE CCOc1ccc(N2[C@@H](CN)C(=O)NC[C@H]2C)cc1 216991355 IGHSSANKHKHRDV-MFKMUULPSA-N 263.341 0.737 10 10 CCCE O=C(N[C@@H]1CN[C@@H]2CCC[C@H]12)c1cccc(O)c1O 1925996484 MSBQXPNYFKCPIZ-JMJZKYOTSA-N 262.309 0.968 10 10 CCCE C[C@H](O)[C@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)CCO1 1556995684 KHZWDQUMYBAMLN-XGLCWEIGSA-N 293.319 0.719 10 10 CCCE CN(C)C[C@H](CO)NC(=O)c1ccc(N=NC(N)=O)cc1 1568701026 BQITZHPDOGTZHX-LLVKDONJSA-N 293.327 0.501 10 10 CCCE CN(C(=O)c1cccc(O)c1O)[C@H]1CCN2CCO[C@H]1C2 1637383350 XOGTVNCIFZXJSP-AAEUAGOBSA-N 292.335 0.643 10 10 CCCE CCC[C@@H](NC(N)=O)C(=O)NCc1cc(O)ccc1O 1651222904 ROCAZUZGKQINGY-SNVBAGLBSA-N 281.312 0.551 10 10 CCCE CCN(c1ccc(CN)c(OC)c1)[C@@H]1CCNC1=O 2139700784 OGGGDMNUOZJUKB-GFCCVEGCSA-N 263.341 0.869 10 10 CCCE COc1cc(N2CC[C@](CO)(OC)C2)ccc1CN 2139705348 YHPLGELEQDXALI-AWEZNQCLSA-N 266.341 0.742 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCN1[C@@H]1CC(CO)(CO)C[C@H]1O 2141455336 ZNAMTSLWZLTQJH-HBNTYKKESA-N 270.333 0.255 10 10 CCCE [N-]=[N+]=NC1CCN([C@@H]2CC(CO)(CO)C[C@H]2O)CC1 2141454104 UOESAECIPMUAIB-GHMZBOCLSA-N 270.333 0.255 10 10 CCCE Cc1ccc(CN[C@H]2COC[C@H]2S(C)(=O)=O)c(O)c1 2142472993 VDESQJJJVGFODU-WCQYABFASA-N 285.365 0.602 10 10 CCCE Nc1ccc(-n2nnc(C(=O)NCc3ccccn3)n2)cc1 1857879225 ZHMWYHMSPYZSTD-UHFFFAOYSA-N 295.306 0.570 10 10 CCCE CN[C@@H]1CCSC[C@@H]1NC(=O)c1ccc(O)c(O)c1 1896157584 IYZNXMBOCGPTRM-ZJUUUORDSA-N 282.365 0.921 10 10 CCCE Cn1nnc(CN2CCN(c3ccc(N)cc3)C2=O)n1 236146482 LMAQPGAYUQUQDD-UHFFFAOYSA-N 273.300 0.235 10 10 CCCE NC(=O)N1CC(CN[C@@H]2CCc3cccc(O)c32)C1 1875456061 VGQLIDAORNKNPY-LLVKDONJSA-N 261.325 0.980 10 10 CCCE C[C@@H]1OCC[C@]1(O)CNC(=O)Nc1ccc(N)cc1 1876149642 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O=C(c1cc(O)nc(O)c1)N1CC[C@@H]2CCNC[C@@H]2C1 2148936723 SEFWGPXSVNXQHO-GXSJLCMTSA-N 277.324 0.564 10 10 CCCE CO[C@@H]1CN(C)C[C@H]1NC(=O)CCc1ccc(N)cc1 2151784564 MMKRXMHEBSLLJC-ZIAGYGMSSA-N 277.368 0.647 10 10 CCCE C[C@@H](NS(=O)(=O)[C@H](C)CN)c1ccccc1O 2017520759 KDCMELMLJGYUPP-RKDXNWHRSA-N 258.343 0.720 10 10 CCCE CC(C)[C@@H](Nc1c(N)cccc1C(N)=O)C(=O)N(C)C 2156462302 QZKCAIMTNFWHJO-LLVKDONJSA-N 278.356 0.892 10 10 CCCE NCc1ccc(N2C[C@@H](CO)C[C@H]2CO)cc1F 2029413925 KISCXBNCYWYLJV-CABZTGNLSA-N 254.305 0.464 10 10 CCCE Cn1cc(C=C2SC(=S)N(CC(=O)O)C2=O)cn1 2040473388 BQGRSERGDUDYOM-UHFFFAOYSA-N 283.334 0.706 10 10 CCCE CCO[C@@H]1C[C@H](N)[C@H]1NC(=O)c1ccc(O)c(O)c1 300439831 WVWVYDVQDBTAFY-XXILOJSOSA-N 266.297 0.332 10 10 CCCE COc1cccc(CNCc2nc(C(N)=O)co2)c1O 2160641116 ODPADZRHORHPJZ-UHFFFAOYSA-N 277.280 0.778 10 10 CCCE COc1cccc(O)c1CN1CC[C@]2(CNCCO2)C1 2160728025 FSPKCYZIGZAZOT-HNNXBMFYSA-N 278.352 0.965 10 10 CCCE C[C@@H]1CNCCN(C(=O)c2ccc(O)c(O)c2)C1 323585735 BNCBXAUCQVISOR-SECBINFHSA-N 250.298 0.779 10 10 CCCE CCN(CCN=[N+]=[N-])C(=O)C1=NN(C)C(=O)CC1 2315986464 DIDQURNSMOWUMZ-UHFFFAOYSA-N 252.278 0.753 10 10 CCCE CN1C(=O)CC[C@H](NC(=O)Nc2ccc(N)cc2)C1=O 90031911 SPKRUVSAKGNGBE-JTQLQIEISA-N 276.296 0.538 10 10 CCCE CNCc1ccc(N(C)[C@H]2COC[C@H]2O)c(F)c1 708076541 WKTHZDZTZRZXGJ-QWHCGFSZSA-N 254.305 0.741 10 10 CCCE Cc1cc(O)n2ncc(C(=O)N(C)C[C@@H]3CCCO3)c2n1 2062250418 ZRPADUOAHBVXEV-JTQLQIEISA-N 290.323 0.994 10 10 CCCE CN(Cc1ncn(C)n1)c1ccc2c(c1)NC(=O)[C@H]2N 2178355332 QWRNJKIWNZMNLR-LBPRGKRZSA-N 272.312 0.403 10 10 CCCE C[C@@]1(CO)COCCN1c1ccc2c(c1)NC(=O)[C@@H]2N 2169031932 HCGFURVIBXGDJI-TZMCWYRMSA-N 277.324 0.226 10 10 CCCE COC(=O)[C@@H](O)CN1CCOc2cc(N(C)C)ccc21 2195427397 DKJJGFDYLYMKQW-LBPRGKRZSA-N 280.324 0.485 10 10 CCCE CO[C@@H](CNC(=O)c1cc(O)c(O)c(O)c1)CC(=O)O 2188868923 ZHNVMNLOUWIJEV-SSDOTTSWSA-N 285.252 0.023 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H]2CC[C@H](C1)C2O 2188868753 WHXKWYJJRUQLGA-ITGSWZIZSA-N 279.292 0.646 10 10 CCCE NC[C@H]1C[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)CCO1 2188922483 HCFFOADUFRGVCC-DTWKUNHWSA-N 282.296 0.040 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CC[C@@H](C2CNC2)C1 2188924734 QTDPPZFCNXVXTG-MRVPVSSYSA-N 278.308 0.485 10 10 CCCE O=C1CC[C@H]2CN(C(=O)c3cc(O)c(O)c(O)c3)C[C@@H]12 2188925487 URKNVNRJRNVWLG-IONNQARKSA-N 277.276 0.855 10 10 CCCE C[C@H](O)c1ccc(N2C[C@@H]3C[C@H](C2)[C@H](O)[C@@H]3O)cc1O 2182551155 ROXVETQMWJLVMR-TXFSYDTDSA-N 279.336 0.623 10 10 CCCE CN([C@H]1CCC(=O)NC1)S(=O)(=O)Cc1ccc(N)cc1 2183442718 KGXVWDYZCWXPMS-LBPRGKRZSA-N 297.380 0.309 10 10 CCCE CN(CC(=O)c1ccc(O)c(O)c1)[C@@H]1CCC(=O)NC1 2183452924 ZXZHKGGQXXGZHM-SNVBAGLBSA-N 278.308 0.491 10 10 CCCE CN1[C@H](CN2CCc3cc(CN)ccc32)CCS1(=O)=O 2189913792 ZYXNGCTYGJLWBZ-ZDUSSCGKSA-N 295.408 0.542 10 10 CCCE NC(=O)[C@]1(O)CCN(c2ccc3c(c2)CCC[C@@H]3O)C1 2184693630 UAKWRBVSYUEMPH-ZFWWWQNUSA-N 276.336 0.483 10 10 CCCE COC(=O)[C@H](NCCN=[N+]=[N-])C(C)(C)S(C)(=O)=O 2047895895 UVTFOBLYEPYBMX-ZETCQYMHSA-N 278.334 0.251 10 10 CCCE CNCCC[C@@H](C)NC(=O)c1cc(O)nc(O)c1 2049143496 QSAIHFMSAWAXTO-MRVPVSSYSA-N 253.302 0.611 10 10 CCCE COC(CNC(=O)c1cc(O)c(O)c(O)c1)OC 1865876003 LYJWJBFBMKXSFD-UHFFFAOYSA-N 257.242 0.152 10 10 CCCE CN1CCC(O)(CNC(=O)Nc2ccc(N)cc2)CC1 2191527740 ACCCKVOHQBKLFA-UHFFFAOYSA-N 278.356 0.847 10 10 CCCE Nc1ccc(OCC(=O)N(CC2CC2)C2CNC2)cc1 2191678006 FRGVRQVVFXGXAE-UHFFFAOYSA-N 275.352 0.858 10 10 CCCE Nc1ccc(CCC(=O)N2CCNC[C@@H]2C(=O)O)cc1 2191725220 ZQJUPNDGRBCWRJ-GFCCVEGCSA-N 277.324 0.086 10 10 CCCE Nc1ccc(OCC(=O)N[C@@H]2C[C@H]3CC[C@H]2NC3)cc1 2191750340 VYNWETYBZYGLCW-LERXQTSPSA-N 275.352 0.904 10 10 CCCE CC1(O)CC(NC(=O)c2cc(O)c(O)c(O)c2)C1 2068575831 FWBOHQYCVXLYHB-UHFFFAOYSA-N 253.254 0.447 10 10 CCCE CN1C[C@@H]2C[C@H](C1)N2c1ccc2c(c1)N(C)C(=O)[C@@H]2N 2187624257 IWKHIBDZBDQTPM-UHIISALHSA-N 272.352 0.556 10 10 CCCE Cn1c(O)nc(SCCc2ccc(N)cc2)nc1=O 2102008469 XICDIGVWEYQFBJ-UHFFFAOYSA-N 278.337 0.798 10 10 CCCE Nc1ccc(OCCN2CC(N3CC(F)C3)C2)cc1 2102843202 FKMPNUYYHHWKJT-UHFFFAOYSA-N 265.332 0.986 10 10 CCCE COCCN1CC[C@H](NCc2ccc(O)cc2O)C1 2103764800 GVHCJZZCOWFIJV-LBPRGKRZSA-N 266.341 0.908 10 10 CCCE COc1ccc(CN(C)C[C@@H]2COCCN2)c(O)c1 2104237489 QZYIBYITSSBOON-GFCCVEGCSA-N 266.341 0.821 10 10 CCCE CN(C)c1ccc([C@H](NN)[C@@H]2COCCN2C)cc1 2106858412 WSBNMKDECZZHBH-KBPBESRZSA-N 264.373 0.588 10 10 CCCE NC(=O)CO[C@@H]1CCN(c2ccc(CO)c(Cl)c2)C1 2089139634 NMIICZVQUWVEAQ-LLVKDONJSA-N 284.743 0.913 10 10 CCCE CCNC[C@H]1CCCN1C(=O)c1cc(O)nc(O)c1 2089612871 YAHHSFOQJKUROU-SNVBAGLBSA-N 265.313 0.707 10 10 CCCE Oc1ccc(CNC[C@H]2Cc3nncn3C2)cc1O 2111425413 YDASAVHIGMIMMJ-SNVBAGLBSA-N 260.297 0.651 10 10 CCCE CN[C@@H](c1ccccc1O)[C@](C)(O)c1cn(C)nn1 2091866663 HMAPWFQRFBQUBR-QWHCGFSZSA-N 262.313 0.689 10 10 CCCE COc1ccc(CNC2(c3nn[nH]n3)CC2)c(O)c1 2094709338 QHUBSAUYDKFTII-UHFFFAOYSA-N 261.285 0.693 10 10 CCCE CC(C)(C)OC(=O)NC1(COc2nnc(=N)[nH]n2)CC1 2209173052 NJQPXDQFGTYMNP-UHFFFAOYSA-N 282.304 0.115 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1C[C@@H](F)C[C@@H](O)C1 2219152486 MMNRKXZFZYSLPA-JGVFFNPUSA-N 256.233 0.038 10 10 CCCE NCc1ccc(N2C[C@@H]3CCO[C@]3(CO)C2)c(F)c1 2231368633 JQIOEWNHLCBPBN-FZMZJTMJSA-N 266.316 0.872 10 10 CCCE COC[C@@H]1[C@H](O)[C@H](O)CN1c1ccc(OC)c(OC)c1 2235125003 RSQMDBFSUDLOHD-GYSYKLTISA-N 283.324 0.261 10 10 CCCE Nc1ccc(OCC(=O)N[C@H]2CNC[C@H](F)C2)cc1 2226269454 AKEURBKINJLLKF-MWLCHTKSSA-N 267.304 0.464 10 10 CCCE Nc1ccc(OCC(=O)N2C[C@H](O)C[C@@H](F)C2)cc1 2226294524 AINDHMSHMSEUKR-MWLCHTKSSA-N 268.288 0.579 10 10 CCCE COc1ccc(N2C[C@H](O)[C@H](N(C)C)C2)c(OC)c1 2226810465 IUABRUTXIARJPU-OLZOCXBDSA-N 266.341 0.815 10 10 CCCE NCCCn1cc(NC(=O)Cc2ccc(N)cc2)cn1 2237663862 XTCOLRBKTAVYCT-UHFFFAOYSA-N 273.340 0.995 10 10 CCCE COc1ccc(N(CCN)CCN(C)C)c(N)c1 2254618668 WRSPXMZNVSEFQD-UHFFFAOYSA-N 252.362 0.604 10 10 CCCE Cc1cc(N2CC3(C2)OC[C@@H](O)[C@H]3O)ccc1[C@@H](C)N 2285138793 ZYSPIVOEBYRPSD-LERXQTSPSA-N 278.352 0.326 10 10 CCCE C[C@@H](NC(=O)c1cc(O)nc(O)c1)[C@@H]1CCCN1 2258828547 LGGCLXXRDRBVKJ-APPZFPTMSA-N 251.286 0.363 10 10 CCCE CN[C@@H]1CCc2cc(N3CC[C@@H]3[C@@H](O)CO)ccc21 2270714843 YJEUFLOTTZSODY-KFWWJZLASA-N 262.353 0.825 10 10 CCCE NC(=O)C[C@@H]1CCCN1C(=O)c1cc(O)c(O)c(O)c1 2285710328 FTUMGSSLHHPFAO-QMMMGPOBSA-N 280.280 0.283 10 10 CCCE Nc1ncccc1OCc1ncnc2c1OCCO2 2342696277 TWNIIDCTBGGEIY-UHFFFAOYSA-N 260.253 0.804 10 10 CCCE Nc1ccc(OCCN2C[C@@H]3C[C@H]2[C@@H](O)[C@H](O)C3)cc1 2355355149 TZYGRZGHWDBBGX-AQNFWKISSA-N 278.352 0.464 10 10 CCCE COc1ccc(CN[C@@H]2C=CS(=O)(=O)C2)c(O)c1 88853547 ZLMINZWSGVQWQE-SNVBAGLBSA-N 269.322 0.801 10 10 CCCE COC(=O)[C@H](C)S(=O)(=O)Nc1ccc(N)cc1 42536693 XOYTUOOJILEPHH-ZETCQYMHSA-N 258.299 0.572 10 10 CCCE C[C@@H]1CN(C(=O)c2ccc(O)c(O)c2)C[C@@H]1C(=O)O 235357290 VSLPDKAKMJISHP-APPZFPTMSA-N 265.265 0.891 10 10 CCCE NC(=O)[C@@H]1CCCCN1C[C@H](O)COc1ccc(N)cc1 249978919 DQTSAARAJKFBBM-JSGCOSHPSA-N 293.367 0.348 10 10 CCCE CC(=O)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N(C)C 808499157 LWHYNKBGCCCTDQ-UHFFFAOYSA-N 294.263 0.976 10 10 CCCE O=C(NC[C@@H]1C[C@H]2OCC[C@H]2O1)c1ccc(O)c(O)c1 2163197147 BMWYHMLWVJTNNP-ZWKOPEQDSA-N 279.292 0.774 10 10 CCCE O=C(Cn1nnn(C2CC2)c1=O)c1ccc(O)c(O)c1 809977200 SQRVQWBYUHMDSY-UHFFFAOYSA-N 276.252 0.069 10 10 CCCE Nc1ccc(OC[C@H](O)C[S@](=O)C[C@H]2CCCO2)cc1 722445279 VAQGRXQYLAABIO-HKMRUAMVSA-N 299.392 0.936 10 10 CCCE CN(CCNC(C)(C)C)C(=O)c1cc(O)nc(O)c1 721620428 ASRGAGODPULVPS-UHFFFAOYSA-N 267.329 0.953 10 10 CCCE C[C@@H](CNC(=O)NCc1ccccc1O)C(=O)O 848585246 NMOAZLIKNJRPKC-QMMMGPOBSA-N 252.270 0.912 10 10 CCCE COc1ccc(N2CC[C@H](NC(=O)CNC(C)=O)C2)cc1 855234759 LQWYPCJPHOCUNI-LBPRGKRZSA-N 291.351 0.526 10 10 CCCE COCCN1C(=O)C[C@@H](N)[C@H]1c1ccc(N(C)C)cc1 62210337 UBMPSJMSVIGORB-UKRRQHHQSA-N 277.368 1.000 10 10 CCCE C[C@H](O)[C@@H](N)c1nnc(-c2ccc(O)c(O)c2)o1 83384257 ULXMONUOZAABDQ-SSDLBLMSSA-N 251.242 0.528 10 10 CCCE CN(C)c1ccc([C@@H](N)c2nnc([C@@H](O)CO)o2)cc1 83585582 JXIQHZSWHFMRLC-WDEREUQCSA-N 278.312 0.209 10 10 CCCE O=C1CCC([C@H]2NCCc3ccc(O)c(O)c32)=NN1 83724916 PWDIFVQXKOIFEY-GFCCVEGCSA-N 261.281 0.551 10 10 CCCE Oc1n[nH]c(CNCc2cc(F)cc(F)c2O)n1 708387959 DYXIEIWTYXEIIU-UHFFFAOYSA-N 256.212 0.784 10 10 CCCE Nc1ccc(OCCNC(=O)Cn2cccn2)cc1 63130359 LVFGFFOZEQIIFH-UHFFFAOYSA-N 260.297 0.661 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3C[C@@H](O)C[C@H]3CO)c(Cl)cc21 698136300 WNAOJJAFIOORGJ-WSFZALMZSA-N 297.742 0.224 10 10 CCCE Nc1ccc(CN2CC(=O)N3CCC[C@@H]3C2=O)cc1 94455717 UDWZZYCDAFQUDX-GFCCVEGCSA-N 259.309 0.602 10 10 CCCE CCCNCc1ccc(N2CC(=O)NC(=O)C2)cc1C 97269692 FFYYWCIZTLKBII-UHFFFAOYSA-N 275.352 0.957 10 10 CCCE O=C(NC[C@@H]1C[C@H]2CC[C@H]1N2)c1ccc(O)c(O)c1 2117674876 OYQMWFIHWNUESI-HBNTYKKESA-N 262.309 0.968 10 10 CCCE Nc1ccc(CC(=O)N2C[C@@H]3C[C@H](CO)[C@@H]3C2)cc1 2117685478 YXFSYANSXUNQSC-OUCADQQQSA-N 260.337 0.898 10 10 CCCE N=S1(=O)CC2(CN(C(=O)c3ccc(O)c(O)c3)C2)C1 2126364141 QHHDPPANJCNHKE-UHFFFAOYSA-N 282.321 0.600 10 10 CCCE Nc1ccc(CCCN(CC(=O)O)CC(=O)O)cc1 2123070654 HRCSKBKHNWUIAH-UHFFFAOYSA-N 266.297 0.673 10 10 CCCE C[S@](=O)CC1(C)CN(C(=O)c2cccc(O)c2O)C1 2129772705 GOESKYRBZSODQA-IBGZPJMESA-N 283.349 0.938 10 10 CCCE Nc1cc2c(cc1N1C[C@@H]3C[C@H]3[C@@H]1CO)OCCO2 1905545841 CTRHEJKORFPKPM-SBMIAAHKSA-N 262.309 0.857 10 10 CCCE C[C@@H](CC(=O)O)N(C)C(=O)c1cc(O)c(O)c(O)c1 2132348091 DSVDRZYQEIZUMN-LURJTMIESA-N 269.253 0.739 10 10 CCCE CC[C@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)C[C@@H]1N 2132413790 QDYZURYWRFNMOO-CBAPKCEASA-N 266.297 0.613 10 10 CCCE CN(CC(F)(F)CN)C(=O)c1cc(O)c(O)c(O)c1 2132416943 AWHZRTXHHPTUNG-UHFFFAOYSA-N 276.239 0.469 10 10 CCCE Cn1nnc(C(=O)N2CCC(CN=[N+]=[N-])CC2)n1 1912157056 QAAFNBALEZXMJH-UHFFFAOYSA-N 250.266 0.373 10 10 CCCE CCOC(=O)[C@@]1(NCCN=[N+]=[N-])CCNC[C@H]1OCC 1912161440 JPHBKDVIDJSSIB-ZYHUDNBSSA-N 285.348 0.587 10 10 CCCE C[C@@H](CCO)N(C)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 1917073416 FRGJICFCSKJLDJ-ONGXEEELSA-N 282.340 0.197 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NN1CCCNC1=O 1447219874 VFALZYRGIBUPRY-UHFFFAOYSA-N 265.269 0.087 10 10 CCCE COCCNC(=O)CN(C)Cc1cc(F)ccc1O 226561988 KOPQBNKSKCXFMA-UHFFFAOYSA-N 270.304 0.726 10 10 CCCE CC[C@H](O)Cn1cc(C(=O)NCc2ccccc2O)nn1 1622772911 NNKMONOJEUHPDF-NSHDSACASA-N 290.323 0.685 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NCCCn1cncn1 1628030447 IJRHQAQYRQCULG-UHFFFAOYSA-N 276.296 0.438 10 10 CCCE CC(C)[C@@H](NC(=O)CCOc1ccc(N)cc1)C(N)=O 231032136 FZLFKMFBKMPMJG-CYBMUJFWSA-N 279.340 0.664 10 10 CCCE CCNC(=O)CN(C)C(=O)c1c(F)ccc(O)c1O 1654230350 POJOKYYRCLPBNB-UHFFFAOYSA-N 270.260 0.445 10 10 CCCE COc1cc(N2CCC[C@@H]2[C@H](O)CO)ccc1CN 2139687546 ZNEQJVMGFQNZOL-CHWSQXEVSA-N 266.341 0.476 10 10 CCCE COc1cc(N(C)CCN(C)CCO)ccc1CO 2139700766 NZUMIZLVRIWKIR-UHFFFAOYSA-N 268.357 0.548 10 10 CCCE CN(C)C(=O)NCCNCc1ccc(O)c(O)c1O 234213437 YRWYAIMBAWIEPH-UHFFFAOYSA-N 269.301 0.164 10 10 CCCE Oc1c(Cl)cccc1CNCCn1cnnn1 1942798933 HPLGXRVMSSCZHY-UHFFFAOYSA-N 253.693 0.822 10 10 CCCE CCOc1cccc(CNC2(CO)CC(O)C2)c1O 1879554509 GXVBEKARJJCXLV-UHFFFAOYSA-N 267.325 0.766 10 10 CCCE COC[C@]1(O)CCN(C(=O)Cc2ccc(O)c(O)c2)C1 1963773423 OYPLOZOKSNONNN-AWEZNQCLSA-N 281.308 0.250 10 10 CCCE CCOc1cccc(CN[C@]2(CO)C[C@H](O)C2)c1O 1889066177 GXVBEKARJJCXLV-VDISTLRHSA-N 267.325 0.766 10 10 CCCE O=C(NC[C@H]1C[C@@H](CO)CO1)c1cccc(O)c1O 1965520438 IEGLANSZLWBWDR-DTWKUNHWSA-N 267.281 0.225 10 10 CCCE CO[C@H]1CN[C@H](C(=O)NCCc2ccc(O)c(O)c2)C1 1968738703 DIDVSDWDVXXSNE-MNOVXSKESA-N 280.324 0.133 10 10 CCCE O=C(N[C@@H](C(=O)O)[C@@H]1CCOC1)c1cccc(O)c1O 2149310905 MRLMACWDUJCAMT-GMSGAONNSA-N 281.264 0.317 10 10 CCCE C[C@H](CO)S(=O)(=O)N(C)Cc1ccccc1O 1996139207 JEZTWAHBUPHZEB-SECBINFHSA-N 259.327 0.535 10 10 CCCE CN(C)CCN(CCO)c1ccc2c(c1)NC(=O)[C@H]2O 2155574734 FQNVJGJZFGSKPP-ZDUSSCGKSA-N 279.340 0.032 10 10 CCCE C[C@@H]1OCCO[C@H]1CNCc1ccc(O)cc1O 2027194894 KOPJVFPTFGMHPD-ZANVPECISA-N 253.298 0.991 10 10 CCCE O=C(N[C@@H]1CC[C@@H](CO)C1)c1cc(O)nc(O)c1 2029535981 OTSUDWQWTIZZGH-VXNVDRBHSA-N 252.270 0.384 10 10 CCCE CO[C@@H]1CN(C)C[C@H]1NCc1cc(F)ccc1O 2034334005 KHPMTARBMMFDGS-DGCLKSJQSA-N 254.305 0.950 10 10 CCCE CO[C@@]1(CO)CCN(CC(=O)c2ccc(O)c(O)c2)C1 402735370 FMRAILALJUETIE-AWEZNQCLSA-N 281.308 0.364 10 10 CCCE CO[C@@]1(CO)CCN(C(=O)CCc2ccc(N)cc2)C1 403071398 WMAICKKBDOJUJM-HNNXBMFYSA-N 278.352 0.811 10 10 CCCE Oc1cc2c(cc1CNC1COCCOC1)OCO2 311944684 WSCQSEQSWCPVMD-UHFFFAOYSA-N 267.281 0.626 10 10 CCCE C[C@H](N)c1ccc2c(c1)CCN2C[C@@H](O)CN(C)C 312046009 ZANIKKBTDHBAOV-FZMZJTMJSA-N 263.385 0.991 10 10 CCCE CN([C@@H]1CCCNC1=O)S(=O)(=O)Cc1ccc(N)cc1 2171083146 MDPAEBIBJMJGRR-GFCCVEGCSA-N 297.380 0.309 10 10 CCCE CCOc1cccc(CN2CC[C@H](N)[C@@H](CO)C2)c1O 2178903293 NBPCKFHHSOQZBI-OLZOCXBDSA-N 280.368 0.932 10 10 CCCE CCN(c1ccc([C@@H](C)N)c(O)c1)[C@@H]1CC(=O)NC1=O 2171192985 OPQWBULYKLZGLP-LDYMZIIASA-N 277.324 0.653 10 10 CCCE CC[C@@H](C)[C@@H](NC(N)=O)C(=O)NCCCN=[N+]=[N-] 701335850 FCEPZDJYMDDMRD-HTQZYQBOSA-N 256.310 0.886 10 10 CCCE [N-]=[N+]=NCCCNC(=O)COc1ccccc1C(N)=O 706104645 ZFUGHAKNPLNJMW-UHFFFAOYSA-N 277.284 0.981 10 10 CCCE CCO[C@H]1COCC[C@]1(NCCN=[N+]=[N-])C(=O)O 686600803 WORZPGAPSCEWNP-WCBMZHEXSA-N 258.278 0.535 10 10 CCCE C[C@H]1[C@H](CO)CCN1c1cc2c(cc1N)OCC(=O)N2 385944119 WPLXDHHRABOZPA-IUCAKERBSA-N 277.324 0.807 10 10 CCCE [N-]=[N+]=NCCCN[C@]1(C(N)=O)CCCN2CCSC[C@H]21 718492196 QPUHIWABWJYHGR-CMPLNLGQSA-N 298.416 0.712 10 10 CCCE Cc1nncn1CCNCc1ccc(O)c(O)c1O 390662950 QFQBGNJLFFTQJR-UHFFFAOYSA-N 264.285 0.493 10 10 CCCE Oc1n[nH]c(CNCc2cc3c(cc2O)OCO3)n1 392452133 KNTIKOLDIXARJB-UHFFFAOYSA-N 264.241 0.234 10 10 CCCE Nc1ccc(CS(=O)(=O)NCCCn2cncn2)cc1 394232360 MUNWTLBJANNEMK-UHFFFAOYSA-N 295.368 0.370 10 10 CCCE Nc1ccc(OCc2cn(C[C@H]3CC(=O)N3)nn2)cc1 2179342464 ARSYMGHEDYLEHC-SNVBAGLBSA-N 273.296 0.328 10 10 CCCE O=C1CC2(CN1)CN(CC(=O)c1ccc(O)c(O)c1)C2 2176110368 JGIHMRIRICQZLD-UHFFFAOYSA-N 276.292 0.102 10 10 CCCE Nc1ccc(CC(=O)N2CC[C@@H](C(CO)CO)C2)cc1 2170670921 FUTUDTKBBPCCHO-GFCCVEGCSA-N 278.352 0.261 10 10 CCCE CCN(C[C@H](C)C(=O)O)C(=O)c1cc(O)c(O)c(O)c1 2188868329 PKUKBZQHUHJYGJ-ZETCQYMHSA-N 283.280 0.986 10 10 CCCE NCc1cnc(NC(=O)c2cc(O)c(O)c(O)c2)cn1 2188909371 KQEMEXIUMNHNIF-UHFFFAOYSA-N 276.252 0.304 10 10 CCCE Nc1ccc(CCOc2cc(N)n3ncnc3n2)cc1 2184668571 YYECBJKSQSHHLP-UHFFFAOYSA-N 270.296 0.910 10 10 CCCE CN(C(=O)Cc1ccc(O)c(O)c1)[C@H]1CC[C@H]1N 2043160579 HQBBPBPEERBMOE-ZJUUUORDSA-N 250.298 0.588 10 10 CCCE CN[C@@H](C)[C@@H]1CCN1C(=O)c1cccc(O)c1O 2045173880 DVQBPUIWLCVUIK-WPRPVWTQSA-N 250.298 0.920 10 10 CCCE COc1ccc(N2CC(O)(CO)C2)c([N+](=O)[O-])c1 2051896094 AFDXDEZVWCRTPZ-UHFFFAOYSA-N 254.242 0.147 10 10 CCCE CO[C@@H]1CCS(=O)(=O)N(Cc2ccc(N)cc2)C1 2053495913 UORUBFILIVBGOD-GFCCVEGCSA-N 270.354 0.819 10 10 CCCE O=C1N[C@@H]2CN(Cc3cc(F)ccc3O)C[C@H]2O1 2056807590 IYMLBQXLBVVEAO-MWLCHTKSSA-N 252.245 0.824 10 10 CCCE CO[C@@]1(CN(C)C(=O)c2cccc(O)c2O)CCOC1 2186195854 UNBXVKGHGHURCK-CQSZACIVSA-N 281.308 0.975 10 10 CCCE Nc1ccc(OCCC(=O)N2C[C@@H]3CNC[C@@H]3C2)cc1 2191676508 STOFWULHNKGRPA-TXEJJXNPSA-N 275.352 0.716 10 10 CCCE Nc1cc2c(cc1N1CC[C@H](CO)[C@H](N)C1)OCCO2 2191795908 RXELJRNCMVUZJT-MWLCHTKSSA-N 279.340 0.186 10 10 CCCE [N-]=[N+]=NCCCCN1CC[C@H]2OCC(=O)N[C@@H]2C1 2065719523 BYIUIONLAVTANG-NXEZZACHSA-N 253.306 0.666 10 10 CCCE O=C1NC[C@@H](CNCc2ccc(F)c(F)c2O)O1 2066433974 BEVYVWMGQRKWAV-SSDOTTSWSA-N 258.224 0.868 10 10 CCCE C[C@@H](F)[C@H](NC(=O)c1ccc(O)c(O)c1)C(=O)O 2069719065 MFCZJXQTAKWKOB-ANLVUFKYSA-N 257.217 0.639 10 10 CCCE COc1ccc(N(C)C[C@@H]2CNCCO2)c(N)c1 2071589306 UDVONXKMBHXYKB-NSHDSACASA-N 251.330 0.702 10 10 CCCE CCOC[C@@H](N)C(=O)N[C@H](C)c1ccccc1O 2072491620 SJYCIJMXQDAQBL-MWLCHTKSSA-N 252.314 0.933 10 10 CCCE CCOC[C@@H](N)C(=O)NCCc1ccc(O)c(O)c1 2101450939 JGIBIHUBJKRNSV-SNVBAGLBSA-N 268.313 0.120 10 10 CCCE N[C@H]1C[C@H]2C[C@H]1C[C@H]2NC(=O)c1cccc(O)c1O 2104408535 PAHFXZREEMZARI-GISOBZBCSA-N 262.309 0.953 10 10 CCCE COC(=O)[C@@H](c1c(C)cccc1O)N1CCNCC1 2104480708 WRJDEUCMQBJSBU-CYBMUJFWSA-N 264.325 0.820 10 10 CCCE CN(C)c1ccc([C@@H](CCn2cnnc2)NN)cc1 2106828246 KQONOXPRHVWYLX-CYBMUJFWSA-N 260.345 0.939 10 10 CCCE CCN(c1ccc(N)cc1)S(=O)(=O)c1cn(C)nn1 2088151480 KMWAZCFUSHBSHC-UHFFFAOYSA-N 281.341 0.613 10 10 CCCE CON(C)C1CN(c2ccc([N+](=O)[O-])c(CO)c2)C1 2088383550 RERLZLHTEBRHFV-UHFFFAOYSA-N 267.285 0.769 10 10 CCCE C[C@@H]1CN2C(=O)N(c3ccc(N)cc3)C(=O)[C@H]2CO1 2109537280 JBFPXFZGVJMXLB-LDYMZIIASA-N 261.281 0.825 10 10 CCCE CN(CCn1cncn1)C(=O)c1cccc(O)c1O 2113664040 ORXOBJLSRNFUEY-UHFFFAOYSA-N 262.269 0.462 10 10 CCCE CO[C@H]1[C@@H](COc2ccc(N)cc2)NC[C@H]1OC 2218297295 INJKMXWSUYOLOP-UPJWGTAASA-N 252.314 0.649 10 10 CCCE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1COc1nnc(=N)[nH]n1 2209556495 UCQXAOQYMFXGGB-SFYZADRCSA-N 296.331 0.361 10 10 CCCE COc1ccc(N(CCO)C[C@@H](C)O)cc1OC 2219651634 NZPRSTDNWFBTQN-SNVBAGLBSA-N 255.314 0.883 10 10 CCCE COC[C@@H]1[C@@H](O)[C@H](O)CN1c1ccc2c(c1)CC[C@@H]2O 2233880846 ZJDNUNQNKJQNMJ-LXTVHRRPSA-N 279.336 0.223 10 10 CCCE CN1CCc2cc(N3C[C@@H]4C[C@H](C3)[C@@H](O)[C@@H]4O)ccc21 2235125060 SHCZGKYTVCDGRJ-NOXHYTERSA-N 274.364 0.857 10 10 CCCE OCc1ccc(N2C[C@H]3C[C@H](O)[C@@H](O)C[C@H]3C2)c(F)c1 2236986205 AZQBYPIHZTWCAE-JLUCKKNBSA-N 281.327 0.886 10 10 CCCE CSc1ncc(CNC(=O)c2nn[nH]n2)s1 2243841316 YHWDBJKNYVFWTA-UHFFFAOYSA-N 256.316 0.308 10 10 CCCE Cc1cc(N2C[C@@H](O)C[C@@H](O)C2)ccc1[C@@H](C)O 2257480258 PKCLKMNDQXTUIF-RTXFEEFZSA-N 251.326 0.980 10 10 CCCE COc1ccc(N2CC[C@@H]2[C@H](O)CO)cc1OC 2258327825 NXTDSFHOVMLSFF-GHMZBOCLSA-N 253.298 0.636 10 10 CCCE [N-]=[N+]=NCCCN[C@]1(C(=O)O)COC2(COC2)C1 2258405928 IBOXKRHQVRECRW-JTQLQIEISA-N 256.262 0.289 10 10 CCCE CCNCCS(=O)(=O)NCc1cnc(SC)s1 2248593566 OHOUVKUDSJIYRB-UHFFFAOYSA-N 295.455 0.894 10 10 CCCE COC(=O)N[C@H](C)CNCc1ccc(O)c(O)c1O 2274582077 HWUGQTHIJYKSOV-SSDOTTSWSA-N 270.285 0.638 10 10 CCCE CN(C)S(=O)(=O)[C@H]1CCN(Cc2cc(N)ccc2O)C1 2279246640 WWOZHLOCQPGPKO-LBPRGKRZSA-N 299.396 0.440 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@H]2[C@H]3CN[C@@H]2C3)cc1 2311829134 RYYLCEBMZLLSHC-JLLWLGSASA-N 267.354 0.049 10 10 CCCE COCCNS(=O)(=O)Nc1cc(C)c(O)c(C)c1 2318410066 YSLLMGSCNXSOSZ-UHFFFAOYSA-N 274.342 0.902 10 10 CCCE C[C@@H](NCCS(=O)(=O)CCO)c1ccc(F)cc1O 2335778205 UIUKQSYBJWUXKO-SECBINFHSA-N 291.344 0.589 10 10 CCCE COc1cc(N2CC(N(C)C(C)=O)C2)ccc1CN 2353559136 WKNRRHHRLDCBPF-UHFFFAOYSA-N 263.341 0.821 10 10 CCCE [N-]=[N+]=NCC1(CNC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 1893242674 DKPWPXAIARXTRD-MRVPVSSYSA-N 287.345 0.563 10 10 CCCE CCOC(=O)[C@H]1CNC[C@@H]1c1cc(O)nc(O)c1 1952222520 SBYPKIKAKGEHBG-BDAKNGLRSA-N 252.270 0.359 10 10 CCCE CN(C)Cc1cc(C2(C(=O)O)CC(O)C2)ccc1O 1952222338 PVXDVCUOBHEASD-UHFFFAOYSA-N 265.309 0.931 10 10 CCCE CN(CCCO)C(=O)CCOc1ccc(N)cc1 302545984 ZGTFHVNZNDPDRO-UHFFFAOYSA-N 252.314 0.879 10 10 CCCE COc1cccc(CNC2CCN(CC(N)=O)CC2)c1O 37140516 NWTGQROLMWIQQR-UHFFFAOYSA-N 293.367 0.440 10 10 CCCE C[C@@H](NC(=O)/C=C\c1ccc(N(C)C)cc1)C(N)=O 312113608 NSYMAVKZGOSXGQ-ABRRARGCSA-N 261.325 0.756 10 10 CCCE CC(=O)c1ccc(O)c(CN2C[C@H](O)[C@@H](CO)C2)c1 317203306 JVKYMEYJSRMRIK-OCCSQVGLSA-N 265.309 0.380 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CCC[C@@H]2CO)cc1 42433699 GWTZCSLKMZMANP-GFCCVEGCSA-N 270.354 0.555 10 10 CCCE C[C@H](O)CCN(C)C(=O)COc1ccc(N)cc1 135509199 RPAYSGXZTVXJRH-JTQLQIEISA-N 252.314 0.877 10 10 CCCE Cc1n[nH]c(NC(=O)[C@@H](N)Cc2ccc(O)c(O)c2)c1C 228349216 UZTMAXXAQRDCOU-JTQLQIEISA-N 290.323 0.946 10 10 CCCE Nc1cccc(C(=O)O)c1N[C@@H]1C[C@H]2C[C@H]1[C@H](O)[C@H]2O 2166412443 DLRFBBPTNODIBQ-AWTVOTCNSA-N 278.308 0.509 10 10 CCCE CN1CCc2cc([C@@H](O)c3cnn(C)c3CN)ccc21 2163072707 ZBSMAZLWNZTTFN-OAHLLOKOSA-N 272.352 0.953 10 10 CCCE CC(=O)C(=O)COC(=O)c1ccc(NS(C)(=O)=O)cc1 808493733 NCJGCQBNJMOGRM-UHFFFAOYSA-N 299.304 0.373 10 10 CCCE Oc1ccc(CN2CC[C@]3(CNCCO3)C2)cc1O 719995562 XJLMODHTMXVHNQ-AWEZNQCLSA-N 264.325 0.662 10 10 CCCE CN(C)c1ccc(CNC(=O)[C@H](O)C(C)(C)O)cc1F 900434358 LAGOBJACCWBKEK-LBPRGKRZSA-N 284.331 0.640 10 10 CCCE COc1ccc(N2CC[C@H](NC(=O)c3cnn[nH]3)C2)cc1 855230418 DAYJFFBIDBNNEP-JTQLQIEISA-N 287.323 0.822 10 10 CCCE O=C1CC[C@@H]([C@@H]2NCCc3c2cc(O)c(O)c3O)N1 75819383 RRJWKLKFJMEZQK-GZMMTYOYSA-N 264.281 0.269 10 10 CCCE N=C1NC(=O)[C@H](CC(=O)N2Cc3cccc(O)c3C2)S1 871201135 PKEGKDTZQRMVQE-JTQLQIEISA-N 291.332 0.791 10 10 CCCE COc1ccc(N2CC(=O)N[C@H](C)C2)cc1C(=O)O 84630760 BSZYDUNWCGIDRS-MRVPVSSYSA-N 264.281 0.718 10 10 CCCE C[C@@H](CNCc1ccc(F)c(F)c1O)S(N)(=O)=O 703367471 QSVNLQZZIGQEEG-LURJTMIESA-N 280.296 0.437 10 10 CCCE Cn1cnc([C@@](C)(NCCCN=[N+]=[N-])C(N)=O)c1 710116822 CVQBVOQWOGZQHP-SNVBAGLBSA-N 251.294 0.411 10 10 CCCE CCCn1cc([C@](C)(NCCN=[N+]=[N-])C(=O)O)nn1 715018391 SXTPUGODNZBCSE-JTQLQIEISA-N 267.293 0.888 10 10 CCCE C[C@@](O)(CNS(=O)(=O)Cc1ccc(N)cc1)C(F)F 698706193 ZULPQOIOLGHHSI-LLVKDONJSA-N 294.323 0.704 10 10 CCCE Cc1n[nH]c(C)c1S(=O)(=O)N(C)CCN=[N+]=[N-] 1912147109 WHZBWAZCMMCKTN-UHFFFAOYSA-N 258.307 0.957 10 10 CCCE COc1cnc(C(=O)NCc2cc(O)ccc2O)nc1 1153885923 SMLKRKUJHRGWOT-UHFFFAOYSA-N 275.264 0.826 10 10 CCCE Cn1cc(C(=O)NCc2ccc(O)cc2O)nc1O 1162278930 NVNUVRCCCKVFAT-UHFFFAOYSA-N 263.253 0.467 10 10 CCCE COc1ccc(CN[C@@H]2CCO[C@@H]2C(N)=O)cc1C 2117464253 XAROGKKIZUJZEH-YPMHNXCESA-N 264.325 0.736 10 10 CCCE C[C@@H](C(=O)Nc1ccc(N)cc1)N1CC=C[C@@H]1CO 2119814178 AYXPAKUJPSXAKL-GXFFZTMASA-N 261.325 0.829 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1C[C@@H]2CCN[C@@H]2C1 2132364207 LXDAWRPTKFEIQV-WDEREUQCSA-N 262.309 0.461 10 10 CCCE C[C@H]1CN(C(=O)CN(C)CCCN=[N+]=[N-])CCO1 1912167888 QHLKDULBFNWMFH-JTQLQIEISA-N 255.322 0.866 10 10 CCCE [N-]=[N+]=NCCN[C@@]1(C(=O)O)C[C@@H]2CCCCN2C1 1912147027 GPGZSGWHZNEOGG-ONGXEEELSA-N 253.306 0.968 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN1S(=O)(=O)N1CCC[C@H](O)C1 1912178878 PXCRBONJVMBOOD-ZJUUUORDSA-N 289.361 0.463 10 10 CCCE CCc1ncc(S(=O)(=O)N(C)CCN=[N+]=[N-])[nH]1 1912204855 LTPNAPJAIUZIDD-UHFFFAOYSA-N 258.307 0.903 10 10 CCCE CN(CCCN=[N+]=[N-])C(=O)CCSCC(N)=O 1912202452 HQQKXZALELZRBK-UHFFFAOYSA-N 259.335 0.754 10 10 CCCE COc1ccc(O)c([C@H](C)NC(=O)Cn2cnc(N)n2)c1 1445971608 WLOXNZCULGHOQZ-QMMMGPOBSA-N 291.311 0.452 10 10 CCCE CC1=NNC(=O)[C@H]1CCNC(=O)c1cc(O)cs1 1292969501 JPCPZQMSOHTWPL-QMMMGPOBSA-N 267.310 0.696 10 10 CCCE C[C@@H]1CN(c2ccc3c(c2)OCO3)[C@H](CCO)CN1 217093245 YJRVJQQNLOMAIG-ZYHUDNBSSA-N 264.325 0.964 10 10 CCCE COc1ccc(O)c(CNC2CN(C(C)=O)C2)c1 1926265520 FSVIVSAVAFHGNC-UHFFFAOYSA-N 250.298 0.721 10 10 CCCE COc1cccc(CNC(=O)c2cc(=O)n(C)cn2)c1O 1631539912 GAEDUAMUPGVLAY-UHFFFAOYSA-N 289.291 0.425 10 10 CCCE O=C1N[C@H](C(=O)NCc2ccc(O)cc2O)CCO1 1639444411 KXTHVKBVBSKHGG-VIFPVBQESA-N 266.253 0.213 10 10 CCCE Cc1cccc(CNC(=O)C[C@]2(O)CCNC2)c1O 2139744840 BSRYBABXGCDPCL-CQSZACIVSA-N 264.325 0.431 10 10 CCCE CC[C@@H](NC)c1ccc(N2CC(=O)NC(=O)C2)cc1 233902235 OIKMYRIDLMDWDI-GFCCVEGCSA-N 261.325 0.820 10 10 CCCE CN(C)CCOCCNCc1ccc(O)c(O)c1O 234256519 MMUAMPFUOOFTEI-UHFFFAOYSA-N 270.329 0.471 10 10 CCCE COCC[S@@](=O)CCNCc1cccc(OC)c1O 2142036062 VVCDVBXQHLCJBP-IBGZPJMESA-N 287.381 0.886 10 10 CCCE NCc1ccc(N2CCN3C(=O)NC[C@@H]3C2)cc1F 135229822 MBBYKZLBMRNASO-LLVKDONJSA-N 264.304 0.498 10 10 CCCE CC1(C)C[C@H](N)CN1S(=O)(=O)Cc1ccc(N)cc1 1876152037 ABEOOLVNYVLSGQ-LBPRGKRZSA-N 283.397 0.910 10 10 CCCE C[C@@H](N)c1cc(F)c(N2CCC2(CO)CO)c(F)c1 1880928624 SBQXNTANNWTYDP-MRVPVSSYSA-N 272.295 0.918 10 10 CCCE CN(C)c1ccc(CNC(=O)[C@@H]2[C@@H]3NCCO[C@@H]32)cc1 1966787814 YYJNKQZERWOQKS-HZSPNIEDSA-N 275.352 0.356 10 10 CCCE Cc1nnc([C@@H](N)[C@@H](O)c2ccc(N(C)C)cc2)n1C 2148246914 UKPUFTZSGWBMMC-STQMWFEESA-N 275.356 0.923 10 10 CCCE Nc1ccc(CC(=O)NC[C@H]2CNCCOC2)cc1 1971146672 JZMHJNLOYXIARQ-GFCCVEGCSA-N 263.341 0.164 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N3CCS(=O)CC3)cc21 155748805 WVXWSFSISGWLHL-LBPRGKRZSA-N 279.365 0.232 10 10 CCCE C[C@@H]1CC[C@@H](C(=O)O)N(C(=O)c2cc(O)nc(O)c2)C1 2146235713 NBRVCLCTAJTUDE-APPZFPTMSA-N 280.280 0.818 10 10 CCCE Nc1ccc(CCC(=O)NC[C@H]2CCS(=O)(=O)N2)cc1 2146223914 KDMXOESBLMXMBU-GFCCVEGCSA-N 297.380 0.009 10 10 CCCE Nc1ccc(N2C(=O)NC[C@@H]([C@H]3CCOC3)C2=O)cc1 2150159334 FRYXXEKOKURATC-CABZTGNLSA-N 275.308 0.978 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3CC4(CC(O)C4)C3)cc21 2146333243 GBLYKBGIQKSBQN-CYBMUJFWSA-N 273.336 0.624 10 10 CCCE CCN[C@H]1C[C@@H](C)CN(C(=O)c2cc(O)nc(O)c2)C1 2149199639 NVBJICNENDKUKN-KOLCDFICSA-N 279.340 0.953 10 10 CCCE CCN(CC(=O)NC)C(=O)CCOc1ccc(N)cc1 40304479 KFFJOMLBIGPYNE-UHFFFAOYSA-N 279.340 0.632 10 10 CCCE C[C@@H](OC(=O)COc1ccc(N)cc1)C(=O)NC1CC1 41093750 DGJBBRCWBLVEEX-SECBINFHSA-N 278.308 0.858 10 10 CCCE CS(=O)(=O)CCOC(=O)CCOc1ccc(N)cc1 41100714 RNQWPTATVVPIAL-UHFFFAOYSA-N 287.337 0.626 10 10 CCCE O=C(NC[C@@H]1C[C@@H]2COC[C@H]2N1)c1cccc(O)c1O 2153857952 WVWXDSRGEJJHGQ-WCABBAIRSA-N 278.308 0.205 10 10 CCCE COc1ccc(N(C)CCN[C@H]2CCS(=O)(=O)C2)cc1 53434087 OBOOZIXVPHELQN-LBPRGKRZSA-N 298.408 0.908 10 10 CCCE CN(C)S(=O)(=O)Nc1ccnn1-c1ccc(N)cc1 61628855 SIEUWBXKCVYWDO-UHFFFAOYSA-N 281.341 0.673 10 10 CCCE Nc1ccc(O)c(CN2CCOC[C@@H](CO)C2)c1 2036925439 POYZROVNWZZXEW-SNVBAGLBSA-N 252.314 0.415 10 10 CCCE COC(=O)[C@@H](C)NC(=O)NCc1ccc(N)cc1 2039301414 ZLSRDHOBVLCGSV-MRVPVSSYSA-N 251.286 0.630 10 10 CCCE NCc1ccc(N2CCC(NC(N)=O)CC2)cc1F 702151433 UQJOKLSDPMKDSV-UHFFFAOYSA-N 266.320 0.922 10 10 CCCE C[C@H]1CNCCN(C(=O)c2cccc(O)c2O)C1 323748407 RSCKSDUQGUTZFQ-VIFPVBQESA-N 250.298 0.779 10 10 CCCE CN(Cc1ccc(N)cc1)c1cc2n[nH]c(=O)n2cn1 90645034 BWIQZHGDBYSAJA-UHFFFAOYSA-N 270.296 0.636 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC[C@@H]2C[C@@H]21 707051558 UHMIHXWWJSNGSP-VWYCJHECSA-N 262.309 0.588 10 10 CCCE C[C@@H]1CN(c2ccc3c(c2)NC(=O)[C@@H]3O)C[C@@H]1CO 708757381 XUHXKTDOBBKGPS-JRKPZEMJSA-N 262.309 0.737 10 10 CCCE CCNC(=O)C[S@](=O)[C@@H](C)C(=O)Nc1ccc(N)cc1 379844458 LALDKUAGFORPFP-LXGOIASLSA-N 297.380 0.481 10 10 CCCE O=C(O)[C@H]1OCC[C@H]1CNCc1ccccc1O 716210263 XXYJKUFGYJTQFN-JQWIXIFHSA-N 251.282 0.972 10 10 CCCE Cc1nnc(CNC(=O)COc2ccc(N)cc2)n1C 393204741 DCAZEOKDKZWEJW-UHFFFAOYSA-N 275.312 0.401 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CCc3nn[nH]c3C2)cc1 396799539 JQNRWUSLKRAYBM-UHFFFAOYSA-N 293.352 0.275 10 10 CCCE CNCc1ccc(N2CC[C@H](O)[C@H](CO)C2)cc1 396844854 HXADKWUNCCLZSA-JSGCOSHPSA-N 250.342 0.586 10 10 CCCE COC[C@H](CF)NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 2173287741 IRNWZJHZQUXPIU-UWVGGRQHSA-N 286.303 0.068 10 10 CCCE Cc1cc(O)n2ncc(C(=O)N3CCn4nccc4C3)c2n1 2063809722 VSWNAMQFOKQOBK-UHFFFAOYSA-N 298.306 0.596 10 10 CCCE C[C@@H](NS(=O)(=O)CS(C)(=O)=O)c1ccccc1O 1260594769 IYGGVJYXXSPIQK-MRVPVSSYSA-N 293.366 0.375 10 10 CCCE COCCN1C[C@@H](O)[C@H](OCCc2ccc(N)cc2)C1 2176290677 PQOZMLYNMQILDO-HUUCEWRRSA-N 280.368 0.519 10 10 CCCE C[C@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)c1ccccc1O 2192629813 UJLNRCYKNDAYFF-CABZTGNLSA-N 274.324 0.863 10 10 CCCE CC1(C)[C@@H](CN)C[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2188917695 YXIFHPCMIRTISS-LDYMZIIASA-N 280.324 0.907 10 10 CCCE O=C(N[C@@H]1C[C@H]2CNC[C@H]1C2)c1cc(O)c(O)c(O)c1 2188925295 UCSWOJNJPTVEBN-FXBDTBDDSA-N 278.308 0.531 10 10 CCCE CN(C(=O)Cc1ccc(O)c(O)c1)[C@H]1CCC(=O)NC1 2183452903 ZSZFPTJFIAQYIO-JTQLQIEISA-N 278.308 0.377 10 10 CCCE CNCc1ccc(N2CC3(C2)OC[C@@H](O)[C@@H]3O)cc1C 2183642043 YVIRCWQKMGHNQN-KGLIPLIRSA-N 278.352 0.025 10 10 CCCE C[C@@H]1C(=O)NC(=O)CN1c1ccc2c(c1)CCC[C@@H]2O 2184688843 IKLJJBJGVGAGJL-RNCFNFMXSA-N 274.320 0.908 10 10 CCCE CC1(C)C[C@@H](NC(=O)c2ccc(O)c(O)c2)[C@H]1O 2043134282 ZUTBSARURJFHKT-LDYMZIIASA-N 251.282 0.987 10 10 CCCE CCOC(=O)[C@](C)(NCCCN=[N+]=[N-])[C@H]1CCN1 2045133374 RCCYJOJEQJVJKJ-MWLCHTKSSA-N 255.322 0.960 10 10 CCCE OCCO[C@@H]1CCN(c2ccc(CO)cc2F)C1 2046679741 ORCRPKIEGNUIPN-LLVKDONJSA-N 255.289 0.906 10 10 CCCE Nc1ccc(OCCN2CC([C@@H](F)CO)C2)cc1 2048037489 YQXJXWXAQMDOPD-ZDUSSCGKSA-N 254.305 0.910 10 10 CCCE Oc1cccc(F)c1CN1CCOCC12CNC2 2048707844 RQNVQZCNSYRKGI-UHFFFAOYSA-N 252.289 0.706 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CC4(CC(CO)C4)C3)ccc21 2186542707 MEDVRUDGRAXNMC-ZDUSSCGKSA-N 273.336 0.847 10 10 CCCE COc1cccc(O)c1CNC[C@@]1(C)CC(=O)N1 2085319446 WDHSIINQZKGLTA-CYBMUJFWSA-N 250.298 0.769 10 10 CCCE C[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)CC[C@@H]1CO 2109031023 HOEVOMRJSQRCBH-RKDXNWHRSA-N 266.297 0.583 10 10 CCCE O=C(c1cccc(O)c1O)N1C[C@H](C2CC2)[C@@H](O)C1 2090673422 GSNOZRXJSRAWMZ-PWSUYJOCSA-N 263.293 0.941 10 10 CCCE N[C@H](c1ccccc1O)[C@]1(O)CCCS(=O)(=O)CC1 2091868236 QNYZWYOOHOMINX-OLZOCXBDSA-N 285.365 0.722 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CC[C@@H]2[C@H](CO)[C@@H]2C1 2093146098 PZQMGADRLRMFCV-AXFHLTTASA-N 263.293 0.798 10 10 CCCE C[C@H](C1CNC1)N(C)C(=O)Cc1ccc(O)c(O)c1 2098265487 IBPMAHPZCGGPHI-SECBINFHSA-N 264.325 0.707 10 10 CCCE CNCc1cc(F)c(N2C[C@@H]3C(C(N)=O)[C@H]3C2)c(F)c1 2201299323 QHIDYOHGBOHTDH-IUCAKERBSA-N 281.306 0.852 10 10 CCCE COc1cc(N2CC[C@@H]3CS(=O)(=O)C[C@@H]32)ccc1CO 2204560186 ZFNDHPPUQDYWEZ-YPMHNXCESA-N 297.376 0.811 10 10 CCCE N[C@@H]1[C@@H](NC(=O)c2cccc(O)c2O)COC12CCC2 2206477244 IIWJQJDEXMUNAU-JOYOIKCWSA-N 278.308 0.476 10 10 CCCE COc1cc(N(CCO)C[C@H](C)O)ccc1CN 2218951208 VEAOCCFXSUJSTN-JTQLQIEISA-N 254.330 0.333 10 10 CCCE Cc1cc(O)cc(C)c1NS(=O)(=O)N(C)CCN 2223374953 VENZJIJWHNZIEF-UHFFFAOYSA-N 273.358 0.556 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3C[C@H](O)C[C@@H](F)C3)ccc21 2234668969 JTCWHPRVWSLIHL-JQEORGNBSA-N 279.315 0.808 10 10 CCCE CN1CCN(C)[C@H](C(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])C1 2225794116 CPAIJTULPXNLQS-MXWKQRLJSA-N 266.349 0.580 10 10 CCCE C[C@@H](N)c1ccc(N2C[C@@H](CO)C[C@@H](CO)C2)cc1O 2236636500 ONRJRRCJDRMRLW-UTUOFQBUSA-N 280.368 0.839 10 10 CCCE COc1ccc(N2CCO[C@@H]([C@H](C)O)C2)c(CN)c1 2227678862 BDHFBDKKIDVHEL-IINYFYTJSA-N 266.341 0.740 10 10 CCCE Oc1cccc(CN[C@H]2CCn3cnnc3C2)c1O 2228338705 ATPJTHFIZMWWCX-JTQLQIEISA-N 260.297 0.794 10 10 CCCE CSc1ncc(CNC(=O)[C@H](N)[C@H]2CCCO2)s1 2256939936 JZQXQOPPZWLBDR-RKDXNWHRSA-N 287.410 0.988 10 10 CCCE Cc1cc([C@H](C)O)ccc1N1CC[C@H]1[C@H](O)CO 2258309879 ZAKIPWDJMJOHQE-LEWSCRJBSA-N 251.326 0.980 10 10 CCCE N[C@]1(C(=O)C(=O)C[C@H]2C[C@H](N)C2)C[C@@H]2CCC[C@H]21 2260005076 DHEWWBBCEKOQII-MOUCOTEISA-N 250.342 0.770 10 10 CCCE C[C@H]1[C@@H](O)CCN1C[C@H](O)COc1ccc(N)cc1 2273176322 UNHHNWOVSTYZRW-JKOKRWQUSA-N 266.341 0.464 10 10 CCCE CC[C@H]1[C@H](O)CCN1S(=O)(=O)Cc1ccc(N)cc1 2273217327 WVRXFURORJSHSL-QWHCGFSZSA-N 284.381 0.944 10 10 CCCE COc1ccc(N2C[C@@H](CO)[C@@H](O)C2)c2c1CCC2 2269114009 BTVLVTFPVYKAAU-HZMBPMFUSA-N 263.337 0.973 10 10 CCCE Cc1cc(N2CC3(C2)OC[C@H](O)[C@H]3O)ccc1[C@H](C)N 2285126690 ZYSPIVOEBYRPSD-LEWSCRJBSA-N 278.352 0.326 10 10 CCCE CN(C)c1ccc([C@H](N)[C@@]2(O)COC3(COC3)C2)cc1 2286255553 QDUAGJNTFBWBII-ZFWWWQNUSA-N 278.352 0.673 10 10 CCCE NCCCC[C@H](Nc1c(N)cccc1C(=O)O)C(=O)O 2289604078 MKHFBAVRFLXCSI-JTQLQIEISA-N 281.312 0.961 10 10 CCCE Cc1nn(C)c2c1N(C(=O)/C=C\c1cnccn1)CCO2 492384941 HFVFHCHLSHVYRY-ARJAWSKDSA-N 285.307 0.957 10 10 CCCE Oc1cc2c(cc1O)CN([C@@H]1COC[C@H]1O)CC2 2318659890 JLACYLUIYCAIBF-ZWNOBZJWSA-N 251.282 0.216 10 10 CCCE CC(=O)N(C)C1CN(c2ccc(CN)cc2F)C1 2328313747 LKAVUFILKZHZAA-UHFFFAOYSA-N 251.305 0.951 10 10 CCCE NCc1ccc(N2[C@H]3CC[C@@H]2C[C@@H](O)[C@H]3O)c(F)c1 2331972452 JJLOIOFUFYEQAG-PCDDKUFXSA-N 266.316 0.747 10 10 CCCE COCCN1C[C@@H](O)[C@H](N2CCC[C@H](N=[N+]=[N-])CC2)C1 2354237013 QKRHVQPLKDYNDM-YNEHKIRRSA-N 283.376 0.843 10 10 CCCE COc1cc(N2C[C@@H](O)[C@H](CO)C2)c([N+](=O)[O-])cc1OC 316295693 YZNOKQPFOZDZFY-GZMMTYOYSA-N 298.295 0.401 10 10 CCCE Cn1cc([C@@H]2CNCCN2C(=O)Cc2ccc(N)cc2)cn1 181353274 WZQQRURQXJTILE-HNNXBMFYSA-N 299.378 0.718 10 10 CCCE CN(C)C(=O)[C@@H]1CCCN1C(=O)COc1ccc(N)cc1 40304844 ZSIRNDIAKFSLHQ-ZDUSSCGKSA-N 291.351 0.727 10 10 CCCE N[C@@H](C(=O)O)c1c(Br)ccc(O)c1O 258482907 UYBNXLYGBLXDPT-ZCFIWIBFSA-N 262.059 0.945 10 10 CCCE C[C@H](C(=O)O)S(=O)(=O)NCc1ccc(N)cc1 42524181 OIANXFXBIOULHM-SSDOTTSWSA-N 258.299 0.161 10 10 CCCE COCC[C@@H](CN)NC(=O)c1cc(OC)nc(OC)c1 2166942428 JWKLSQPLDNWOBJ-JTQLQIEISA-N 283.328 0.192 10 10 CCCE CNC(=O)[C@H]1CNCCN1c1ccc(OC(C)C)cc1 2162634507 BUYRFOKTKOSEFK-CQSZACIVSA-N 277.368 0.998 10 10 CCCE NC(=O)NC1CN(c2cc3c(cc2N)NC(=O)CC3)C1 2163216306 LKWKPHLNSCPWJH-UHFFFAOYSA-N 275.312 0.010 10 10 CCCE COC(=O)CC[C@H](N)C(=O)NCCc1ccc(N)cc1 832658903 GWDAOZSMQLHSCX-LBPRGKRZSA-N 279.340 0.208 10 10 CCCE CCN1CCN(CC(=O)NCc2ccc(O)cc2O)CC1 910951947 ZCQUMUUSRGZESN-UHFFFAOYSA-N 293.367 0.352 10 10 CCCE C[C@@]12CN(C(=O)c3cc(O)cs3)C[C@@]1(C)C(=O)NC2=O 870002332 FWIJZDKBSZWWMY-STQMWFEESA-N 294.332 0.579 10 10 CCCE CN(C)CCCNC(=O)[C@H](N)c1cc(O)ccc1O 83495179 MCEZFRMWDPIFAP-GFCCVEGCSA-N 267.329 0.166 10 10 CCCE O=C(O)[C@@H](c1cccc(F)c1O)N1C(=O)CCC1=O 83494009 KMNTXJXSQCVQMT-SNVBAGLBSA-N 267.212 0.806 10 10 CCCE O=C1NCC2(CCOCC2)[C@@H]1NCc1ccccc1O 895772136 CLGOLLFBCWPJLR-CYBMUJFWSA-N 276.336 0.777 10 10 CCCE CN1CCN(c2ccc([N+](=O)[O-])c(CO)c2)C[C@@H]1CO 687592597 LJWUFUCSUNAWIJ-GFCCVEGCSA-N 281.312 0.200 10 10 CCCE COCCNCc1ccc(N2CCNC(=O)C2)c(F)c1 62734709 ZVPIZRWBVZBLIC-UHFFFAOYSA-N 281.331 0.498 10 10 CCCE O=C(N[C@]12CCC[C@@H]1NCC2)c1cc(O)nc(O)c1 711675734 WEFIHLNKXDEJRP-ZANVPECISA-N 263.297 0.507 10 10 CCCE C[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CCN1C 1146525680 FYGFDQWHOUDKFO-JTQLQIEISA-N 264.325 0.803 10 10 CCCE COc1ccc(CNC[C@H]2C[C@H](C(=O)O)CO2)c(O)c1 714030816 QKHTUBMQVAVSDI-CMPLNLGQSA-N 281.308 0.980 10 10 CCCE COc1cc(N)c(N2CCC(=O)N(C)CC2)cc1OC 688911843 NOCSGODFHJUIKP-UHFFFAOYSA-N 279.340 0.955 10 10 CCCE CO[C@@]1(C)C[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 694329479 KHJWHOBLZPGQDG-WFBYXXMGSA-N 280.324 0.261 10 10 CCCE C[C@@H](O)c1ccc(N2C[C@H](O)C[C@@H]2CO)c(F)c1 698126594 FVNMLKFIILZKBM-FBIMIBRVSA-N 255.289 0.811 10 10 CCCE C[C@H](N[C@H]1CCC(=O)N(C)C1=O)c1ccc(O)cc1O 90025632 ORZQXFZZYLCXNF-KWQFWETISA-N 278.308 0.896 10 10 CCCE CNCc1ccc(N2CCN3C(=O)NC[C@H]3C2)cc1C 91754429 REPOBSYRSSMCNM-AWEZNQCLSA-N 274.368 0.928 10 10 CCCE C[C@@H](NC1CN(C(N)=O)C1)c1c(O)cccc1O 1917780833 BHZFLJVYKFDUSI-SSDOTTSWSA-N 251.286 0.511 10 10 CCCE OC[C@H]1CCc2nnc(-c3cccc(O)c3O)n2C1 97881819 RRFWQFSZGFXOQM-QMMMGPOBSA-N 261.281 0.911 10 10 CCCE COC1([C@@H](N)C(=O)C(=O)C[C@H]2C[C@H](N)C2)CCCC1 2115986109 VMTJCLHNYKGILE-KWBADKCTSA-N 268.357 0.539 10 10 CCCE NC[C@@H]1C[C@H]2CN(C(=O)c3cccc(O)c3O)C[C@@H]12 2117667328 OSGHXROJQQBFSV-QXEWZRGKSA-N 262.309 0.765 10 10 CCCE C[C@H]1CC[C@H](C(=O)O)N1C(=O)c1cc(O)nc(O)c1 2119489718 GZHASBWNDMLLFD-POYBYMJQSA-N 266.253 0.571 10 10 CCCE O[C@H]1C[C@@H](O)CN(c2ccc3c(c2)CCC[C@H]3O)C1 2128274051 ZCHFAJMPFGYGJS-VNHYZAJKSA-N 263.337 0.988 10 10 CCCE CNC(=O)NC(=O)[C@@H](C)OCCc1ccc(N)cc1 2119733919 PKCSLGJSHHMBRO-SECBINFHSA-N 265.313 0.672 10 10 CCCE C[C@H](N[C@H]1CS(=O)(=O)C[C@H]1O)c1cc(F)ccc1O 2121362406 ATMNIMMFZJXGJJ-VIRWGQHYSA-N 289.328 0.340 10 10 CCCE Cn1cnn(CCC(=O)Nc2ccc(N)cc2)c1=O 211503047 PKELJKJRZXOYGK-UHFFFAOYSA-N 261.285 0.193 10 10 CCCE CN[C@H](C)c1ccc(N2CC[C@@H](O)[C@H](O)C2)cc1O 2132139425 ZZKREAVRLKAFPY-GAJTVXKRSA-N 266.341 0.605 10 10 CCCE [N-]=[N+]=NCCN1CC[C@@H](N2CCCS2(=O)=O)C1 1912165788 OZBGWYKOMOSUNB-SECBINFHSA-N 259.335 0.407 10 10 CCCE [N-]=[N+]=NCC1CCN(C(=O)[C@H]2CCC(=O)N2)CC1 1912157748 SUWAZPDUBLUYLA-SECBINFHSA-N 251.290 0.814 10 10 CCCE CC(C)Cn1cc([C@H](NCCN=[N+]=[N-])C(=O)O)nn1 1912154233 AXFZDMGEBUYNBN-VIFPVBQESA-N 267.293 0.960 10 10 CCCE CN(CCN=[N+]=[N-])C(=O)[C@H]1CCCN(C(N)=O)C1 1912160572 XXKQPSRGBKBZCD-QMMMGPOBSA-N 254.294 0.546 10 10 CCCE COC(=O)[C@@H](NCCCN=[N+]=[N-])c1ccnn1C 1912198558 ICJILUZICKTJFA-VIFPVBQESA-N 252.278 0.924 10 10 CCCE CCN[C@H](C)c1ccc(N2CC(O)(C(N)=O)C2)c(F)c1 1915249146 RXEKSHYJDAZISN-SECBINFHSA-N 281.331 0.533 10 10 CCCE Cc1cc2c(cc1C(=O)C(=O)CC(=O)O)OCO2 214508902 WSIHRBWVZRNGIT-UHFFFAOYSA-N 250.206 0.950 10 10 CCCE Nc1ccc(CN2CCN(CCOCCO)CC2)cc1 1921587213 UPVFSEDIVAIYAL-UHFFFAOYSA-N 279.384 0.395 10 10 CCCE CC(C)C1(O)CN(C(=O)COc2ccc(N)cc2)C1 227194483 ISTOOHXCFDTTHR-UHFFFAOYSA-N 264.325 0.877 10 10 CCCE Cn1cncc1CC(=O)NCc1c(O)cccc1O 1645363364 SDLWWSSHXNSMFH-UHFFFAOYSA-N 261.281 0.690 10 10 CCCE Oc1cccc(O)c1CN=c1ncnc2[nH][nH]cc1-2 1655889266 CZHKBSOOQIIHDV-UHFFFAOYSA-N 257.253 0.750 10 10 CCCE CC(=O)N1CCC(C(=O)NCc2cc(O)ccc2O)CC1 1651222947 TXLBBRVFZGKVNY-UHFFFAOYSA-N 292.335 0.973 10 10 CCCE CCN(CC)CCN[C@H](C(N)=O)c1cc(F)ccc1O 233423924 DXJSZVNLHZLEKI-ZDUSSCGKSA-N 283.347 0.989 10 10 CCCE CC[C@H]1CN(C[C@@H](O)CO)c2cc3c(cc2N1)OCO3 251540910 ASRIIEOFEJMMKL-VHSXEESVSA-N 280.324 0.779 10 10 CCCE CO[C@H]1CN(CC(=O)c2ccc(O)c(O)c2)C[C@H]1OC 234803692 GQTXGZDPXNKCJZ-OKILXGFUSA-N 281.308 0.626 10 10 CCCE Cn1cc(S(=O)(=O)Nc2ccc(O)cc2)nn1 1940854337 WQJIOOQYLLFTDB-UHFFFAOYSA-N 254.271 0.322 10 10 CCCE CON(C(=O)CCc1ccc(N)cc1)[C@H]1CCNC1 1876481575 CVXPENRUCYOYOC-ZDUSSCGKSA-N 263.341 0.953 10 10 CCCE COC[C@@H]1CC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2142434058 MZGXBOXWFLGVQF-CBAPKCEASA-N 267.281 0.958 10 10 CCCE CO[C@@]1(C(=O)N[C@H](C)c2ccccc2O)CCNC1 1877584102 ANBNVFYSHYJYNZ-YGRLFVJLSA-N 264.325 0.948 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@@H]1COCCN1C 1963342422 YQVTYOSWCCQXOA-LBPRGKRZSA-N 264.325 0.681 10 10 CCCE CO[C@H](CO)CNCc1ccc(N2CCOCC2)cc1 1963410629 PFZKTPRELSGWKR-HNNXBMFYSA-N 280.368 0.620 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CC2(CC(O)C2)C1 1963565698 NCYVWMYXGJKGHJ-UHFFFAOYSA-N 263.293 0.624 10 10 CCCE CN[C@H]1CCc2cc(N3CCC3(CO)CO)ccc21 1879987080 PLPRIKMRAAVTCS-AWEZNQCLSA-N 262.353 0.827 10 10 CCCE CN(C)c1ccc([C@H](NS(C)(=O)=O)C(=O)O)cc1 41406507 CEJRLTRSWCOWNC-JTQLQIEISA-N 272.326 0.428 10 10 CCCE CC(C)(C)OC(=O)[C@H](N)Cc1cc(O)nc(O)c1 1951861262 UEUMUZMOIFJOQV-MRVPVSSYSA-N 254.286 0.704 10 10 CCCE CN(C)[S@@](C)(=O)=NC(=O)Cc1ccc(N)cc1 1968033400 MSMVGPXRINAJJZ-KRWDZBQOSA-N 255.343 0.912 10 10 CCCE Cc1ccc(CNC[C@@H]2CCS2(=O)=O)c(O)c1 1972337504 GZAZREXSRUFKNT-NSHDSACASA-N 255.339 0.977 10 10 CCCE O=C1CN(C(=O)Cc2ccc(O)c(O)c2)[C@@H]2CC[C@@H]2N1 1972880807 NJZLCUYXCHOSCC-VHSXEESVSA-N 276.292 0.130 10 10 CCCE NC(=O)C(F)(F)CNCc1cc(F)cc(F)c1O 1973354799 JWJXILITIADEOT-UHFFFAOYSA-N 266.194 0.881 10 10 CCCE CN(CCCN=[N+]=[N-])C[C@@H]1[C@@H]2CS(=O)(=O)C[C@@H]21 2006200413 FDONNOLUCHDBMF-ILWJIGKKSA-N 258.347 0.909 10 10 CCCE CO[C@@]1(CNC(=O)COc2ccc(N)cc2)CCOC1 159846282 NAGSRYZKYJAYRH-CQSZACIVSA-N 280.324 0.569 10 10 CCCE Nc1ccc(OC[C@@H](O)CN2CCC[C@H](CO)C2)cc1 36205826 ZIHGXRYFQUNSFN-JSGCOSHPSA-N 280.368 0.713 10 10 CCCE Nc1ccc(CC(=O)N2[C@H](CO)C[C@H]3OCC[C@@H]32)cc1 2146686014 RROGNUSYHPUGDR-MELADBBJSA-N 276.336 0.562 10 10 CCCE CC(C)N(CCO)CC(=O)N(C)c1ccc(N)cc1 42478226 USCYRQGHIVWXQP-UHFFFAOYSA-N 265.357 0.934 10 10 CCCE O=C(NCCCNCc1ccc(O)c(O)c1O)C1CC1 2158722034 RKSCXYFISSBDDE-UHFFFAOYSA-N 280.324 0.809 10 10 CCCE Nc1ccc(NS(=O)(=O)C[C@@H]2CCC2=O)cc1 2008750874 QISFJTSQYSRFCY-QMMMGPOBSA-N 254.311 0.990 10 10 CCCE Nc1ccc(CC(=O)N2CC[C@H]3OCCO[C@@H]3C2)cc1 2151741739 YJFJAWWKCOYZEP-ZIAGYGMSSA-N 276.336 0.828 10 10 CCCE COC(=O)[C@@](C)(O)CN(C)Cc1ccc(N)cc1 2031617005 XGGILPFWIRCSEY-ZDUSSCGKSA-N 252.314 0.625 10 10 CCCE CN(C)[C@H]1CCN(c2ccc3c(c2)NC(=O)[C@@H]3N)C1 62966077 LVJXPVPWGZLCRP-GXFFZTMASA-N 260.341 0.779 10 10 CCCE Cn1ccc(NS(=O)(=O)CCOc2ccc(N)cc2)n1 70490675 UDDCFIAXJRMOTD-UHFFFAOYSA-N 296.352 0.823 10 10 CCCE CCNC(=O)C[S@@](=O)CCc1ccc(N)cc1 310070737 MTNHKJRUTJHXJE-KRWDZBQOSA-N 254.355 0.696 10 10 CCCE CN(C)C(=O)CSC[C@@H](O)COc1ccc(N)cc1 311438022 STBJNWSXUMWINU-NSHDSACASA-N 284.381 0.830 10 10 CCCE Nc1ccc(CC(=O)N2CCC(O)(CO)CC2)cc1 313649332 CUMGLIHKAMBWTJ-UHFFFAOYSA-N 264.325 0.157 10 10 CCCE CN(CCn1cncn1)c1ccc(CO)cc1[N+](=O)[O-] 2169987226 ROQHXIUZPIYIIH-UHFFFAOYSA-N 277.284 0.815 10 10 CCCE C[C@@H](O)c1ccc(N2CC[C@@H](C(CO)CO)C2)cc1O 2170641187 AXCSIMLOMWZUBC-GHMZBOCLSA-N 281.352 0.873 10 10 CCCE CN[C@H](C)c1ccc(N(C)[C@H]2CC(=O)NC2=O)cc1O 2171199263 CBDXRUHYUBMHMN-KCJUWKMLSA-N 277.324 0.524 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N3CCN4CC[C@H]3C4)ccc21 381820501 UMNIKGLSFWPCLM-SMDDNHRTSA-N 272.352 0.794 10 10 CCCE CNCc1ccc(N2CC(CC(N)=O)C2)c(C#N)c1 382254134 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Nc1ccc(OCC(=O)N2CCCC3(CNC3)C2)cc1 2191715162 WHPCNZSZKQKLRE-UHFFFAOYSA-N 275.352 0.860 10 10 CCCE C[C@H](NC(=O)CN1CCC[C@H](N)C1)c1ccccc1O 2192625185 LWXZATNIKBBVGL-RYUDHWBXSA-N 277.368 0.993 10 10 CCCE COC[C@H](CN(C)C(=O)c1cc(O)c(O)c(O)c1)OC 2188876130 XWAUOMAFGPZBPH-VIFPVBQESA-N 285.296 0.537 10 10 CCCE CCn1cc(CNC(=O)c2cc(O)c(O)c(O)c2)cn1 2188874104 DAYAPARFGSAVMO-UHFFFAOYSA-N 277.280 0.950 10 10 CCCE C[C@H](N)C[S@](C)(=O)=NC(=O)c1cccc(O)c1O 2042219706 FHBDCFUIDQLHPC-VIIUKITBSA-N 272.326 0.683 10 10 CCCE Oc1c(CN[C@@H]2C[C@H](O)C[C@H]2O)ccc(F)c1F 2046484106 WAKQJRRNEAWFFJ-FXBDTBDDSA-N 259.252 0.644 10 10 CCCE Oc1ccc(CN[C@H]2C[C@@H](n3cncn3)C2)c(O)c1O 2184120229 BUAOSNJPWBYVBN-AOOOYVTPSA-N 276.296 0.888 10 10 CCCE NC(=O)[C@@]1(O)CCN(c2ccc3c(c2)CCC[C@@H]3N)C1 2184688030 WNRGUFUIKKDUHW-DZGCQCFKSA-N 275.352 0.449 10 10 CCCE CS(=O)(=O)N[C@@H]1CCN(c2ccc3c(c2)CC[C@@H]3N)C1 2184743988 PVIKKKIOUDYLDL-RISCZKNCSA-N 295.408 0.761 10 10 CCCE CN(C)CC1(NCc2ccc(O)c(O)c2)COC1 2056769421 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C[C@@](CO)(NS(=O)(=O)Cc1ccc(N)cc1)C1CC1 2090408154 YPUVNTGZEZSESF-ZDUSSCGKSA-N 284.381 0.849 10 10 CCCE CN[C@H](C)[C@@H]1CCCN1C(=O)c1cc(O)nc(O)c1 2092977549 JJUJCYUTIIKEOK-SCZZXKLOSA-N 265.313 0.705 10 10 CCCE O=C(NCC[C@H]1COCCO1)c1ccc(O)c(O)c1 2095668317 NDMMKDLAHYIZBC-JTQLQIEISA-N 267.281 0.633 10 10 CCCE C[C@@]1(c2nc(-c3ccc(O)c(O)c3)no2)COCCN1 2201204383 OIOCFSCEIRJPID-ZDUSSCGKSA-N 277.280 0.983 10 10 CCCE CN(C)CCN(CCN)c1ccc2c(c1)OCCO2 2265822769 VBNAWNVOIDONEN-UHFFFAOYSA-N 265.357 0.785 10 10 CCCE C[C@H](n1c(O)nnc1Cc1ccc(N)cc1)S(C)(=O)=O 2203123169 OWVKSVHZAJKOJP-MRVPVSSYSA-N 296.352 0.720 10 10 CCCE CCn1nnc(CN(C)c2ccc(CO)c(OC)c2)n1 2204558219 ZSINJCUJVKAGAJ-UHFFFAOYSA-N 277.328 0.830 10 10 CCCE COc1ccc(N2CCS(=O)CC2)c(CN)c1 2214845388 ATSLQIWGNHCVSF-UHFFFAOYSA-N 254.355 0.723 10 10 CCCE Oc1ccc(F)cc1CN[C@@H]1CCC[C@H](O)[C@H]1O 2217642118 KNTQIBVGNKKEED-WXHSDQCUSA-N 255.289 0.895 10 10 CCCE NC(=O)C[C@@H]1CCCN1C(=O)Cc1ccc(N)cc1 2208691813 WTASQOCKCGBVKL-LBPRGKRZSA-N 261.325 0.678 10 10 CCCE CN(C(=O)C1=C[C@H](O)[C@H](N)C1)c1cncc(Cl)n1 2219206419 SDBNDISVDVPGLJ-SFYZADRCSA-N 268.704 0.111 10 10 CCCE Cc1nnsc1Cn1ccc2c(c1=O)CNCC2 2221219730 PYPHUNGEMJQNEQ-UHFFFAOYSA-N 262.338 0.702 10 10 CCCE CN(C)c1ccc(O[C@@H]2CS(=O)(=O)C[C@H]2O)cc1 2221880990 BQJDZEPBJDKOAF-VXGBXAGGSA-N 271.338 0.289 10 10 CCCE Nc1ccc(CCC(=O)N[C@@H]2CCC[C@H](O)[C@@H]2O)cc1 2232541016 AHIKGRAJFKPWPD-VNHYZAJKSA-N 278.352 0.592 10 10 CCCE COC[C@@H]1[C@@H](O)[C@H](O)CN1c1ccc2c(c1)COCC2 2235068756 FKQWJXZELJIUTH-RBSFLKMASA-N 279.336 0.316 10 10 CCCE OC[C@@H](O)CN1CCN(c2ccc3c(c2)CCO3)CC1 2235093003 YFUNOFRBLFGGPF-AWEZNQCLSA-N 278.352 0.097 10 10 CCCE COc1ccc(N2CC3(C2)OC[C@H](O)[C@H]3O)c(OC)c1 2235124906 QSBSNEASDLXVHP-WCQYABFASA-N 281.308 0.015 10 10 CCCE COC[C@@H]1[C@@H](O)[C@H](O)CN1c1ccc(CN)c(C)c1 2225700581 LIFNMFJMJAIHSC-MGPQQGTHSA-N 266.341 0.011 10 10 CCCE COc1ccc(N2CCO[C@H]3COC[C@@H]32)c(C(=O)O)c1 2235946848 XOYKZFHCSDYKMO-STQMWFEESA-N 279.292 0.997 10 10 CCCE COc1ccc(N2C[C@@H]3[C@H](CO)CO[C@H]3C2)c(CN)c1 2235969252 BOIBUJXNJGERDB-KYOSRNDESA-N 278.352 0.597 10 10 CCCE CNCc1cc(OC)ccc1N1C[C@H]2C[C@H]1CS2(=O)=O 2235977049 METOTTPSRCUQPY-WCQYABFASA-N 296.392 0.790 10 10 CCCE COc1ccc(N2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)c(CO)c1 2236000125 QZOHSTMHJJLOHZ-IINYFYTJSA-N 297.376 0.811 10 10 CCCE COc1ccc(N2C[C@@H](CO)[C@@H](CCO)C2)c(CO)c1 2236001730 IZCXREZLLQJDJN-AAEUAGOBSA-N 281.352 0.615 10 10 CCCE COc1ccc(N2CC3(C2)OC[C@H](O)[C@H]3O)cc1C 2226852447 YJWUFFPFHRHWQZ-WCQYABFASA-N 265.309 0.314 10 10 CCCE C[C@H](NCC1CN(S(C)(=O)=O)C1)c1ccccc1O 187812292 OJFGVQGYEDPRKB-JTQLQIEISA-N 284.381 0.934 10 10 CCCE COc1cc(OC)c(N2C[C@H](O)[C@H](O)C2)cc1OC 2273755405 SCWYYUUWDPHXBR-AOOOYVTPSA-N 269.297 0.254 10 10 CCCE CN1C(=O)CC(=O)N(CCOc2ccc(N)cc2)C1=O 2280568401 HGNSUWZXIOTRKE-UHFFFAOYSA-N 277.280 0.458 10 10 CCCE CSc1ncc(CNS(=O)(=O)[C@H]2CC[C@@H]2N)s1 2300766148 QFKMKCLCKMXKHM-YUMQZZPRSA-N 293.439 0.774 10 10 CCCE CCN(CCN=[N+]=[N-])C[C@H](O)CN(C)CCOC 2315987130 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CCCE CN1C(=O)[C@H](N)c2ccc(N3C[C@H]4[C@@H](O)CC[C@H]4C3)cc21 123861757 ZFOJVLIJFZQCMX-VFGSGVCASA-N 287.363 0.870 10 10 CCCE CN(C)c1ccc(/C=C/C(=O)NC(C)(CO)CO)cc1 126223599 SDORUOZZWLDFJO-RMKNXTFCSA-N 278.352 0.625 10 10 CCCE CO[C@H]1COCC[C@H]1NC(=O)COc1ccc(N)cc1 312319798 DIHCDXZOVOCZEX-OLZOCXBDSA-N 280.324 0.568 10 10 CCCE C[C@@H]1CNCC[C@H]1NC(=O)c1cccc(O)c1O 126114615 IXJIXFOUPJKVHR-PSASIEDQSA-N 250.298 0.826 10 10 CCCE CN(C(=O)c1ccc(O)c(O)c1)[C@@H](CN)C1CC1 234295922 MVEKAKRMHBJRDQ-JTQLQIEISA-N 250.298 0.907 10 10 CCCE O=C(c1cccc(O)c1O)N1CC[C@H]2CS(=O)(=O)C[C@H]21 2151272304 KKMICJNIGXXNNB-WCBMZHEXSA-N 297.332 0.357 10 10 CCCE CN1C[C@H](O)C[C@@]1(C)C(=O)NCCc1ccc(O)c(O)c1 901123943 UDPTXGQOTJIBPN-ABAIWWIYSA-N 294.351 0.212 10 10 CCCE C[C@@H](C(=O)Nc1ccc(N)cc1)N1CCCNCC1 62460436 KKEXUWQMYKQLKI-NSHDSACASA-N 262.357 0.891 10 10 CCCE COc1ccc2c(c1)N[C@@H](C)CN2C[C@H](O)CO 76928025 UYFQWIYTRNQENS-UWVGGRQHSA-N 252.314 0.669 10 10 CCCE CN(C)CCCNC(=O)[C@H](N)c1ccc(O)c(O)c1 83495171 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2117957404 XVVWBDRBLVVTCG-ZSBIGDGJSA-N 280.349 0.522 10 10 CCCE NC(=O)c1cccc(C(=O)NCc2cc(O)ccc2O)n1 1176756142 YFWSLEQNQNUUME-UHFFFAOYSA-N 287.275 0.522 10 10 CCCE CN[C@@H]1CCc2cc(N3C[C@@H](O)C[C@H]3CO)ccc21 2128295792 OVTFXYSHUSOQDQ-KCQAQPDRSA-N 262.353 0.825 10 10 CCCE N[C@@H]1CCN(c2ccc3c(c2)OCCO3)C[C@H]1CO 2122392360 OGSSYJQCXVOONY-CMPLNLGQSA-N 264.325 0.604 10 10 CCCE COCCN(C)C[C@H](O)CN1CCC[C@@H]1CN=[N+]=[N-] 2123020737 WRCLPEAWNJXPBS-NEPJUHHUSA-N 271.365 0.700 10 10 CCCE C[C@H](N)c1ccc(N2CCNC(=O)C23CC3)cc1O 2132026617 WVSDKLDCFIAZLL-VIFPVBQESA-N 261.325 0.881 10 10 CCCE CC(C)(CNC(=O)c1cc(O)c(O)c(O)c1)C(N)=S 2132400584 NMVGDIFHPLVBOU-UHFFFAOYSA-N 284.337 0.846 10 10 CCCE C[C@@H]1CCNC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2132410172 KWICKTJWNDLWQC-VXNVDRBHSA-N 266.297 0.531 10 10 CCCE Cc1nc(CNCc2ccc(O)c(O)c2O)nn1C 2134171024 CBVPUMNWZKRRHU-UHFFFAOYSA-N 264.285 0.530 10 10 CCCE CN(C1CCN(CCN=[N+]=[N-])CC1)S(C)(=O)=O 1912199548 UIVWVSQINRZZSP-UHFFFAOYSA-N 261.351 0.653 10 10 CCCE C[C@H](NC(N)=O)C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1 1912199088 OIGFQVQZLJLRGT-YUMQZZPRSA-N 254.294 0.592 10 10 CCCE CN(C)S(=O)(=O)CCN1CCC[C@H](N=[N+]=[N-])C1 1912153405 GPKPOMIXPJKYHM-VIFPVBQESA-N 261.351 0.653 10 10 CCCE [N-]=[N+]=NC1CN(CC(=O)NC(=O)Cc2ccccc2)C1 1912206116 FAOMTCUHKNGMRB-UHFFFAOYSA-N 273.296 0.866 10 10 CCCE CC(=O)c1cc(F)cc(CN(CCO)C2COC2)c1O 1915522041 ORZUYBNCHFWOPS-UHFFFAOYSA-N 283.299 0.927 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N3CC[C@@](F)(CO)C3)ccc21 1917071242 IILNQVDXGKDUTM-OCCSQVGLSA-N 279.315 0.810 10 10 CCCE Cn1cnc(CNCc2ccc(O)c(O)c2O)n1 226761894 YXWZNYRUZQUZNV-UHFFFAOYSA-N 250.258 0.222 10 10 CCCE O=C(NC[C@H]1CCC[C@@H](O)C1)c1cc(O)nc(O)c1 227554714 VDXJWZAVUXPWSR-WCBMZHEXSA-N 266.297 0.774 10 10 CCCE Nc1snnc1-c1nc(-c2cccn3ncnc23)no1 1923224195 DWFQGSQTFPHJJZ-UHFFFAOYSA-N 286.280 0.880 10 10 CCCE Nc1ccc(NC(=O)CN2C[C@H]3[C@@H](O)CC[C@H]3C2)cc1 123252579 ZRFTYPQOCQCIJV-GDLCADMTSA-N 275.352 0.910 10 10 CCCE CNCc1ccc(N(C)CCS(C)(=O)=O)cc1OC 2139696068 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O=C1Nc2cc(N3C[C@@H](CO)C4(CC4)C3)ccc2[C@H]1O 2144101643 QOHLWOUGXBHYEH-TVQRCGJNSA-N 274.320 0.881 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3C[C@H]4C[C@H]3CC[C@H]4O)ccc21 2144888708 OPWVIYPLTAYXMI-HFOBELJZSA-N 273.336 0.988 10 10 CCCE CCO[C@@H]1CN(C(=O)c2cccc(O)c2O)CC[C@H]1O 2146732077 UNLFWVTYWYPJOH-ZYHUDNBSSA-N 281.308 0.710 10 10 CCCE C[C@H](C(=O)Nc1ccc(N)cc1)N1CCS(=O)(=O)CC1 36159772 SHBQRGFCVCKZAR-SNVBAGLBSA-N 297.380 0.326 10 10 CCCE C[C@@H](Nc1cnn(CC(N)=O)c1)c1cc(O)ccc1O 36998546 MFTODIXZODWDSX-MRVPVSSYSA-N 276.296 0.953 10 10 CCCE C[C@H](c1cc(O)ccc1O)N1C[C@@H](N)C[C@@H](C(N)=O)C1 2151021423 KIYNNBQRXGVYOX-BBBLOLIVSA-N 279.340 0.293 10 10 CCCE O=C1CC[C@H](NCc2ccc(Cl)cc2O)C(=O)N1 2029656080 HCDHRTWEYYKQRX-VIFPVBQESA-N 268.700 0.940 10 10 CCCE COC[C@@](O)(CO)CNCc1ccc2c(c1)CCN2C 2158620904 KSMROBRGXNTDFW-HNNXBMFYSA-N 280.368 0.138 10 10 CCCE [N-]=[N+]=N[C@@H]1CCCN([C@H]2CN(C3CC3)C[C@@H]2O)C1 2039190739 ATFSBKVNIDVUQL-USWWRNFRSA-N 251.334 0.969 10 10 CCCE CSC[C@@H](NC(=O)c1ccc(O)c(O)c1)C(=O)O 2040035086 CAZXVIMAXUXAGS-SSDOTTSWSA-N 271.294 0.644 10 10 CCCE N[C@@H]1CN(Cc2cc(F)ccc2O)[C@H]2COC[C@@H]12 2040555913 VOSLJNMFHDAWGK-TUAOUCFPSA-N 252.289 0.689 10 10 CCCE O=C(N[C@H]1CN2CC[C@H]1C2)[C@H]1CNc2ccccc2N1 2158770242 YLVYZRGJVBGWSR-GDLCADMTSA-N 272.352 0.713 10 10 CCCE CN1C[C@H](N2CCOc3cc(N(C)C)ccc32)[C@H](O)C1 2156942851 GWPKLKLHAUMEDE-UONOGXRCSA-N 277.368 0.626 10 10 CCCE C[C@H](O)c1ccc(N2CC(NS(C)(=O)=O)C2)cc1 703003444 ODDCYHILEKBEFJ-VIFPVBQESA-N 270.354 0.478 10 10 CCCE CN(C(=O)[C@@H]1CNc2ccccc2N1)[C@@H]1COC[C@H]1O 709341758 BGKPSWHQCSLIJT-YNEHKIRRSA-N 277.324 0.111 10 10 CCCE C[C@H](NC[C@@H]1CN2CCN1CC2)c1ccc(O)cc1O 394699917 PMWBMBHMSFWVCY-NWDGAFQWSA-N 277.368 0.748 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3CCO[C@H](CCO)C3)ccc21 2172871582 NREOLIDUAUWURV-ZWNOBZJWSA-N 277.324 0.226 10 10 CCCE NC[C@@H](O)Cc1nc(-c2ccc(O)c(O)c2)no1 398424223 REZNEACSSIOFSQ-ZETCQYMHSA-N 251.242 0.010 10 10 CCCE CNC(=O)CCSC[C@@H](O)COc1ccc(N)cc1 399251608 MPVKDPSJROUBSF-NSHDSACASA-N 284.381 0.878 10 10 CCCE C[C@H](NCCN1CCNC(=O)C1)c1cc(F)ccc1O 2062447614 QMTAVELNXVCTML-JTQLQIEISA-N 281.331 0.614 10 10 CCCE O=C(NCc1c(O)cccc1O)[C@@H]1OC[C@@H]2COCC[C@@H]21 2064815615 BHMRAZWFEZZOMB-PKFCDNJMSA-N 293.319 0.766 10 10 CCCE C[C@H](c1c(O)cccc1O)N1C[C@H](CC(=O)O)[C@@H](O)C1 2174350932 HPURWUPZXJIUFH-PTRXPTGYSA-N 281.308 0.926 10 10 CCCE C[C@H](c1c(O)cccc1O)N1C[C@@H](O)[C@@H](CC(=O)O)C1 2174350933 HPURWUPZXJIUFH-VDDIYKPWSA-N 281.308 0.926 10 10 CCCE CN(C)C(=O)c1cnn(-c2ccc(O)c(O)c2)c1O 2070449739 FQUMJYIOKMVDCD-UHFFFAOYSA-N 263.253 0.691 10 10 CCCE NC(=O)c1cnc(CNC(=O)Cc2ccc(N)cc2)s1 2168498519 HVOFWXSHDKFVEP-UHFFFAOYSA-N 290.348 0.683 10 10 CCCE CCO[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)CC[C@H]1O 2180075435 YWSHXNRYTMRYBL-NXEZZACHSA-N 282.296 0.105 10 10 CCCE C[C@H]1CNC[C@H](CCNC(=O)c2cccc(O)c2O)O1 2181161617 BTLOAFHHCHHRNW-UWVGGRQHSA-N 280.324 0.595 10 10 CCCE CC1(C)[C@@H](O)[C@@H](O)CN1c1ccc(CO)cc1[N+](=O)[O-] 2181217229 UDQQGDFSYNCFOZ-RYUDHWBXSA-N 282.296 0.408 10 10 CCCE 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264.281 0.478 10 10 CCCE CO[C@H]1CNCC[C@@]1(O)c1ccc2c(c1)CCN2C 2106799219 TUWWCXQIZZBODO-LSDHHAIUSA-N 262.353 0.875 10 10 CCCE O=C(N[C@@H]1CCC[C@@H]1CCO)c1cc(O)nc(O)c1 2090564249 QALJRUCJIFTITD-PSASIEDQSA-N 266.297 0.774 10 10 CCCE CNCc1ccc(N2C[C@H](CO)[C@@H](CCO)C2)cc1 2093500892 GAQIIMCVSMESHP-UONOGXRCSA-N 264.369 0.833 10 10 CCCE CCn1nnnc1CNCc1ccc(O)c(O)c1O 2113069510 HDOQSEQUQDKSGP-UHFFFAOYSA-N 265.273 0.100 10 10 CCCE COc1ccc(N2CC([S@](C)=O)C2)c(CO)c1 2214863250 CQYAELLAJZNNSH-KRWDZBQOSA-N 255.339 0.755 10 10 CCCE Nc1ccc(NC[C@]23CNCCN2CCOC3)cc1 2272594811 HQNPJXQPPYWGFH-AWEZNQCLSA-N 262.357 0.355 10 10 CCCE COc1ccc(N2C[C@H](O)C[C@H]2CO)c(CN)c1 2220414785 MSZMCKXFKRVFQY-WDEREUQCSA-N 252.314 0.086 10 10 CCCE Cc1cc(O)cc(C)c1NS(=O)(=O)c1cnn(C)n1 2231244029 DTFOZBHPXVDREF-UHFFFAOYSA-N 282.325 0.938 10 10 CCCE COC1(C(N)=O)CN(c2ccc([C@H](C)O)cc2C)C1 2232099526 AKBGOZDYDSYQIM-JTQLQIEISA-N 264.325 0.739 10 10 CCCE Cc1cc([C@@H](C)O)ccc1N1C[C@H]2C[C@H]1[C@H](O)[C@H]2O 2232100377 LKGFCMLGXQHUAV-CRGUFGBFSA-N 263.337 0.979 10 10 CCCE NC(=O)C1(NC(=O)c2ccc(O)c(O)c2)CCC1 2223862430 CRFFYWKDPQYOMI-UHFFFAOYSA-N 250.254 0.236 10 10 CCCE [N-]=[N+]=N[C@@H]1CCC[C@H]1NS(=O)(=O)N1CCC[C@@H](O)C1 2225799063 JGMIIUZHWQZDMW-OPRDCNLKSA-N 289.361 0.509 10 10 CCCE COc1ccc(N2CCN(C[C@H](C)O)CC2)c(CN)c1 2235963247 LSBKUZFAAWNIDD-LBPRGKRZSA-N 279.384 0.657 10 10 CCCE COc1ccc(N2C[C@H]3COC[C@@H](C2)[C@@H]3O)c(C=O)c1 2235997997 UFSWHHPQWOXBMA-JYAVWHMHSA-N 277.320 0.951 10 10 CCCE COc1ccc(N2C[C@H]3C(=O)NC(=O)[C@@H]3C2)c(C=O)c1 2236002310 CMRFOSHRRLPEET-GHMZBOCLSA-N 274.276 0.217 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3C[C@@H](F)C[C@@H](O)C3)ccc21 2226288020 BXIIEZWMXXOIPQ-LPBBDHJYSA-N 265.288 0.548 10 10 CCCE OC[C@H]1C[C@@H](CO)CN(c2ccc3c(c2)OCCO3)C1 2236634575 DNRQYYSZCSBXFN-TXEJJXNPSA-N 279.336 0.885 10 10 CCCE NCc1ccc(N2C[C@@H]3C[C@H](O)[C@@H](O)C[C@H]3C2)cc1F 2236979448 MTBJKRCLJDZVNO-GVARAGBVSA-N 280.343 0.852 10 10 CCCE COC[C@@H]1[C@@H](O)[C@@H](O)CN1c1ccc(OC)c(Cl)c1 2226930826 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CN[C@H]1CCc2cc(N3C[C@@H](O)C[C@H]3CO)ccc21 2335178732 OVTFXYSHUSOQDQ-YDHLFZDLSA-N 262.353 0.825 10 10 CCCE N[C@H]1CC[C@H]1S(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1 2338266377 GYWHCRCRKFPTMV-OIBJUYFYSA-N 287.297 0.532 10 10 CCCE Oc1cc2c(cc1O)CN(C[C@@H]1[C@H]3CNC[C@H]31)CC2 2341211018 QYBFFBSFPAIQGC-ITGUQSILSA-N 260.337 0.921 10 10 CCCE CCOC[C@H](O)CN1CCc2cc(O)c(O)cc2C1 2341214894 QLBUIXIKJSAXSY-GFCCVEGCSA-N 267.325 0.853 10 10 CCCE CN1CCN(C(=O)N2CCC[C@H](N=[N+]=[N-])C2)CC1=O 2343690091 IFVAUYMAGKTGRC-VIFPVBQESA-N 266.305 0.655 10 10 CCCE CN(Cc1ccc(N)cc1)C(=O)[C@H]1COCCO1 55297379 GWAZBHRIHUYODK-GFCCVEGCSA-N 250.298 0.643 10 10 CCCE C[C@@H](CO)N(C)c1cc2c(cc1N)OCC(=O)N2 122185864 QTBSJHZTNHCRML-ZETCQYMHSA-N 251.286 0.417 10 10 CCCE O=C(N[C@H]1C=CS(=O)(=O)C1)c1cccc(O)c1O 126462831 SMMPFTXEJZLTRW-ZETCQYMHSA-N 269.278 0.138 10 10 CCCE Nc1ccc(OCCNC(=O)[C@@H]2CSC(=O)N2)cc1 63130519 QZWPZGRWAYUXIO-JTQLQIEISA-N 281.337 0.589 10 10 CCCE C[C@H](N)CCC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 70317290 HMOCXMYKEPTSHL-WPRPVWTQSA-N 296.323 0.337 10 10 CCCE C[C@H](Oc1ccc(N)cc1)C(=O)NCCN(C)C 41321289 CPZIWAWRJKMFBV-JTQLQIEISA-N 251.330 0.714 10 10 CCCE C[C@H](CCCCN)NC(=O)c1cc(O)nc(O)c1 380925650 FLXNDKFNYJMKLI-MRVPVSSYSA-N 253.302 0.740 10 10 CCCE CN(c1ccc(CN)c(F)c1)[C@H]1CCS(=O)(=O)C1 135222269 XXKDUEHTLMNPNM-NSHDSACASA-N 272.345 0.908 10 10 CCCE CN(C)c1ccc([C@H]2NC(=O)[C@@H]3COCCN32)cc1 93883257 VAGGWXBBFWEUSA-STQMWFEESA-N 261.325 0.582 10 10 CCCE C[C@@H]1OCC[C@@H]1S(=O)(=O)NCc1ccccc1O 276024605 LBBITGDPYZNANO-CABZTGNLSA-N 271.338 0.989 10 10 CCCE NC(=O)C1CN(c2c(F)cc(/C=C/C(=O)O)cc2F)C1 381973241 STNAZUBJKWDFGE-OWOJBTEDSA-N 282.246 0.984 10 10 CCCE CN1CCCc2cc([C@@H](O)C3(C(=O)O)CNC3)ccc21 2164811455 LARTYRSRHTWDBZ-CYBMUJFWSA-N 276.336 0.777 10 10 CCCE O=C(NC[C@@H]1C[C@@H]2OCC[C@H]2O1)c1cccc(O)c1O 2163196614 AIGSVQJUUXKXHI-AXTRIDKLSA-N 279.292 0.774 10 10 CCCE Oc1cc2c(cc1O)[C@@H]([C@H]1C[C@@H](O)CN1)NCC2 83724736 TZOVDTVGOYKKRH-JQEORGNBSA-N 250.298 0.007 10 10 CCCE Cc1cc(O)c(CN2C[C@H](O)C[C@H]2C(N)=O)cc1Cl 895371735 VXLOBJJBXCAWHJ-KOLCDFICSA-N 284.743 0.775 10 10 CCCE CN1CCc2cc(CNCC3(S(N)(=O)=O)CC3)ccc21 713977699 BYRNCQVHDLVVKT-UHFFFAOYSA-N 295.408 0.590 10 10 CCCE O=C(NC[C@@H]1CCC[C@@H]1CO)c1cc(O)nc(O)c1 89491243 FOPAIIPLYLPINN-DTWKUNHWSA-N 266.297 0.631 10 10 CCCE CN(CCN=[N+]=[N-])C(=O)CS[C@@H]1CCS(=O)(=O)C1 1912211489 XLKDSOBODTYHKG-MRVPVSSYSA-N 292.386 0.675 10 10 CCCE CCNCc1ccc(N2CC(=O)NC(=O)[C@@H]2C)c(F)c1 97296088 MNLPZTQJSPLNRQ-VIFPVBQESA-N 279.315 0.787 10 10 CCCE C[C@@H](NC(=O)[C@H]1COCCN1)c1ccccc1O 877256348 STMQABGDFNVFBL-MWLCHTKSSA-N 250.298 0.558 10 10 CCCE CCN=c1ncnc(N(C)Cc2ccc(N)cc2)[nH]1 2117156147 VJNRMKDKQWVFRT-UHFFFAOYSA-N 258.329 0.944 10 10 CCCE O=C1NCCC[C@H]1C(=O)NCc1cc(O)ccc1O 1176755025 KQTNGBCWESINMP-SNVBAGLBSA-N 264.281 0.240 10 10 CCCE Nc1cc2c(cc1N1C[C@@H]3C[C@@H]3[C@H]1CO)OCCO2 1905545840 CTRHEJKORFPKPM-HOTUBEGUSA-N 262.309 0.857 10 10 CCCE O=[N+]([O-])c1cc(N(CCO)C2COC2)ccc1CO 2132057176 AMPJSSLIJVOXJS-UHFFFAOYSA-N 268.269 0.285 10 10 CCCE Cc1noc(CNC(=O)c2cc(O)c(O)c(O)c2)n1 2132348215 GQBSDGHKQPTHNG-UHFFFAOYSA-N 265.225 0.425 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CC[C@H]2CNC[C@H]21 2132403167 ICPQKDNUKVVCFP-IONNQARKSA-N 264.281 0.237 10 10 CCCE NCc1ccc(N2CC[C@H]3C[C@H]2[C@H](O)[C@H]3O)cc1F 2134818686 ZUJOAPGRHVZMGZ-GZBPVQSJSA-N 266.316 0.605 10 10 CCCE O=[N+]([O-])c1cc2c(cc1N1CC[C@H](O)C1)OCCO2 1917247388 RBHMWRUZSHENHG-QMMMGPOBSA-N 266.253 0.937 10 10 CCCE COC(=O)[C@@](C)(O)CNC(=O)/C=C\c1ccc(O)c(O)c1 1296144900 DLZQHMBXNVESOO-SDQPKGBYSA-N 295.291 0.151 10 10 CCCE Nc1ccc(CC(=O)NC[C@]23CC[C@@H]2CNC3)cc1 2136103281 YEGOHQWBUUUHGF-IUODEOHRSA-N 259.353 0.927 10 10 CCCE CN(C[C@@H]1CNCCO1)c1ccc2c(c1)OCCO2 217084368 XDDSGPFYHLCFFJ-LBPRGKRZSA-N 264.325 0.882 10 10 CCCE CC1(C)[C@H](O)CN1C[C@@H](O)COc1ccc(N)cc1 2136628001 HRWPOTAVVIGJOI-DGCLKSJQSA-N 266.341 0.464 10 10 CCCE NC(=O)[C@@H]1CCCCN1C(=O)Cc1ccc(O)c(O)c1 1543740775 QLUQNWYHHHXGNJ-JTQLQIEISA-N 278.308 0.507 10 10 CCCE O=C(N[C@@H]1CN[C@H]2CCC[C@H]21)c1ccc(O)c(O)c1 1925996327 LOQBDAKKQMSXOG-OUAUKWLOSA-N 262.309 0.968 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N3CC[C@H](CCO)C3)cc21 123571359 CXUAQWUTHWSMPM-YGRLFVJLSA-N 275.352 0.872 10 10 CCCE COc1cc(N2CC[C@@H](C)[C@@H]2C(N)=O)ccc1CO 2139701681 DKYVANNAYFTRAT-NOZJJQNGSA-N 264.325 0.888 10 10 CCCE Nc1ccc2c(c1)CC(=O)N2C(=O)C1(C(=O)O)CC1 258862521 FGMKBRMOQILEJC-UHFFFAOYSA-N 260.249 0.549 10 10 CCCE CNC(=O)[C@@H]1COCCN1c1ccc(CN)c(F)c1F 234381802 OOPDDQPIENBVPW-JTQLQIEISA-N 285.294 0.375 10 10 CCCE COC(=O)c1cccc(N)c1N[C@@H]1COC[C@@H]1CN 1876458771 HEXQMFNCNJGEBM-GZMMTYOYSA-N 265.313 0.441 10 10 CCCE NCC1(NS(=O)(=O)Cc2ccc(N)cc2)CCCC1 1876416182 SQAQKCPZLQEJEH-UHFFFAOYSA-N 283.397 0.960 10 10 CCCE NC(=O)c1cccc(N)c1N[C@H]1CCOC[C@@H]1CO 1878778910 QONOKUNNTAKWSC-KWQFWETISA-N 265.313 0.177 10 10 CCCE CC1(C)[C@@H](O)C[C@]1(CO)NCc1ccc(O)c(O)c1 1879567790 WRESRYIAVDKSQU-GXTWGEPZSA-N 267.325 0.709 10 10 CCCE O=C(CNC1CC1)NCCc1ccc(O)c(O)c1 238142595 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Cn1c(O)nc(SCCOc2ccc(N)cc2)nc1=O 2158216803 CLPYUSKERRKLAF-UHFFFAOYSA-N 294.336 0.634 10 10 CCCE Cc1cc(CO)ccc1N1CCN2C(=O)NC(=O)[C@@H]2C1 2171305245 ORSVEIKWZLBUPQ-LBPRGKRZSA-N 275.308 0.228 10 10 CCCE COCC(COC)S(=O)(=O)N1CCC[C@@H](N=[N+]=[N-])C1 688550800 CEOYDCWSGBKZSY-SECBINFHSA-N 292.361 0.752 10 10 CCCE O=C1[C@@H](NCc2ccc(O)c(O)c2)CCN1C1CC1 708726651 HCLKHELDUFJETR-NSHDSACASA-N 262.309 0.951 10 10 CCCE O=C(NO[C@@H](C(=O)O)C1CC1)c1cc(O)nc(O)c1 708955930 GMEJWXGHVXUPID-SECBINFHSA-N 268.225 0.017 10 10 CCCE CO[C@@H]1COC[C@H]1N(C)C(=O)COc1ccc(N)cc1 2177272907 YKZYSZHLAOMAJW-CHWSQXEVSA-N 280.324 0.520 10 10 CCCE COc1ccc(CNCCN(C)S(C)(=O)=O)cc1C 692467122 QAEUSBDEBALCMR-UHFFFAOYSA-N 286.397 0.985 10 10 CCCE C[C@H]1[C@H](CO)CCN1S(=O)(=O)Cc1ccc(N)cc1 385771567 YTZVMOCGNVFPSA-JQWIXIFHSA-N 284.381 0.801 10 10 CCCE Nc1ccc(CS(=O)(=O)NCc2cnoc2)cc1 718851287 XPVWQXGMSYWUNR-UHFFFAOYSA-N 267.310 0.876 10 10 CCCE COCC(COC)NC(=O)c1ccc(O)c(O)c1 388517081 XJEXTHDQGWQDNA-UHFFFAOYSA-N 255.270 0.489 10 10 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Oc1cccc(F)c1CN1C[C@H](O)CC12CNC2 2066529993 INOZTQHAMQLWKQ-SECBINFHSA-N 252.289 0.440 10 10 CCCE C[C@@H](C[S@](C)=O)NC(=O)c1cc(O)c(O)c(O)c1 2068577732 PGYSHNYUYMGBOW-QQOXFEPMSA-N 273.310 0.300 10 10 CCCE COc1ccc(N2CCC[C@](N)(CO)C2)c(N)c1 2071598503 ZWPCAPMVTNTAGX-CYBMUJFWSA-N 251.330 0.567 10 10 CCCE Nc1ccc(NC(=O)N[C@]2(CO)C[C@H](O)C2)cc1 2076691277 FZIAUVIYEXRVKU-KLPPZKSPSA-N 251.286 0.276 10 10 CCCE COC1(CO)CN(c2ccc([N+](=O)[O-])c(CO)c2)C1 2101066707 KUWJHZHYMLCTJP-UHFFFAOYSA-N 268.269 0.285 10 10 CCCE COc1ccc(O)c(CN2CC(OCC(=O)O)C2)c1 2088561647 FMOVYQOEDFVAQD-UHFFFAOYSA-N 267.281 0.686 10 10 CCCE CO[C@H]1CNCC[C@@H]1NC(=O)c1ccc(O)c(O)c1 2090581892 AYAWUORHEHUTAG-CABZTGNLSA-N 266.297 0.205 10 10 CCCE C[C@H]1C[C@@H](CN)CCN1C(=O)c1cc(O)nc(O)c1 2091830232 LMNQWIDWJCZBHJ-IUCAKERBSA-N 265.313 0.692 10 10 CCCE Cc1ccc(CN2CCNC[C@H]2C(=O)N(C)C)c(O)c1 2204637190 AXPKHDQBPONPLK-ZDUSSCGKSA-N 277.368 0.563 10 10 CCCE NC[C@@]12COC[C@H]1CN(C(=O)c1ccc(O)c(O)c1)C2 2234560467 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CN1CCc2cc(CNC(C)(CO)CO)ccc21 125743235 UXHIJFCLDBGOQU-UHFFFAOYSA-N 250.342 0.512 10 10 CCCE [N-]=[N+]=NCCCN[C@@]1(C(N)=O)CCN2CCCC[C@@H]21 227921014 SMRDBQKAIWWWDM-PWSUYJOCSA-N 266.349 0.759 10 10 CCCE CC(=O)C(=O)COC(=O)c1ccc2nnc(C)n2c1 808513151 YOLHWTPWBAXETL-UHFFFAOYSA-N 261.237 0.353 10 10 CCCE CN1CC2(CN(Cc3cc4c(cc3O)OCO4)C2)OC1=O 817414309 WEQFYHYCYDGLCN-UHFFFAOYSA-N 292.291 0.757 10 10 CCCE CCC[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)C(=O)O 1865876165 VKRKDWWVCKPQLI-SSDOTTSWSA-N 269.253 0.787 10 10 CCCE O=C(NC[C@@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(O)c(O)c1 724542328 PTMBTUIMNJTVQL-NRUUGDAUSA-N 279.292 0.632 10 10 CCCE NC(=O)CN1CCN(Cc2cccc(Cl)c2O)CC1=O 839171155 ZOPAIWAZURGGFV-UHFFFAOYSA-N 297.742 0.175 10 10 CCCE O=C(NC[C@@H]1CCCCN1CCO)c1cccc(O)c1O 833559998 YLJOBTMUARQYGN-NSHDSACASA-N 294.351 0.674 10 10 CCCE CO[C@H]1CCCN(NC(=O)c2cccc(O)c2O)C1 928418785 NBKLGOOZTXSHEW-VIFPVBQESA-N 266.297 0.853 10 10 CCCE COCCN(CCF)C(=O)C(=O)Nc1ccc(N)cc1 850839993 FDUYESHXHMKWJH-UHFFFAOYSA-N 283.303 0.652 10 10 CCCE CN(C)c1ccc(CN2CCn3c(CO)nnc3C2)cc1 769517666 RUXRXYUIIVDEIT-UHFFFAOYSA-N 287.367 0.852 10 10 CCCE OC[C@@H](O)CN1CCNc2cc3c(cc21)OCCO3 76895592 QXDBUTNRGQPIQP-VIFPVBQESA-N 266.297 0.043 10 10 CCCE CC[C@H]1CN(CC(N)=O)c2cc3c(cc2N1)OCO3 76928924 XBHCHEPZMLBYJS-QMMMGPOBSA-N 263.297 0.911 10 10 CCCE COC(=O)[C@@H](O)CCNCc1cc(F)ccc1O 83419361 QMIFCZVEIHTGGB-NSHDSACASA-N 257.261 0.545 10 10 CCCE COC(=O)[C@@H](O)CCNCc1ccc(O)c(O)c1 83408739 VIEYRSSIEHSFFX-JTQLQIEISA-N 255.270 0.111 10 10 CCCE COc1cc(N)c(N(C)[C@@H]2COC[C@H]2O)cc1OC 709349128 YGZNNNZUALWINN-GHMZBOCLSA-N 268.313 0.482 10 10 CCCE COC(=O)N(C)CCNCc1ccc(O)c(O)c1 689529557 KZKZZVBYETZXKO-UHFFFAOYSA-N 254.286 0.886 10 10 CCCE NC(=O)CN(Cc1ccc(N)cc1)CC12CC(CO1)C2 716081341 YPMCUMFXBLICRF-UHFFFAOYSA-N 275.352 0.735 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CC[C@@]2(CNCCO2)C1 717599823 JFUWLBCQSHCDLG-CQSZACIVSA-N 278.308 0.302 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3CC(O)(C(F)F)C3)ccc21 2115482549 QTAUSMCNBYATQT-SECBINFHSA-N 269.251 0.455 10 10 CCCE CN(Cc1cnn(C)n1)C(=O)c1cccc(O)c1O 2115786497 BPDOSCGEXLDYFK-UHFFFAOYSA-N 262.269 0.499 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)[C@@H]2[C@@H]3CS(=O)(=O)C[C@@H]32)C1 2117935995 LGUHBWNVSDKVHV-QEYWKRMJSA-N 284.341 0.436 10 10 CCCE C[C@H](O)[C@@H]1CCN1c1ccc2c(c1)N(C)C(=O)[C@@H]2O 2125807978 DVSSDZIZOMJPJU-LJUAHTATSA-N 262.309 0.656 10 10 CCCE O=C(N[C@H](CO)CC(F)F)c1c(F)ccc(O)c1O 1183174964 BCBASSLZLZVQHA-YFKPBYRVSA-N 279.214 0.983 10 10 CCCE O=C1CN(c2ccc(CO)cc2)C[C@@H]2COCCN12 2129365923 PFHJNXYYLHCUAL-CYBMUJFWSA-N 262.309 0.226 10 10 CCCE O=[N+]([O-])c1cc(N2C[C@@H]3[C@@H](CO)[C@@H]3C2)ccc1CO 2132053104 IEKLTMFKYLOELE-GDNZZTSVSA-N 264.281 0.762 10 10 CCCE CN(C)c1ccc(CN2CCN[C@H]3COC[C@H]32)cc1 2132558109 CYQHBWUMWYDBMU-LSDHHAIUSA-N 261.369 0.925 10 10 CCCE CC1(C)OC[C@H](NC(=O)Cc2ccc(N)cc2)[C@H]1O 1910984475 FZXWIFOBROMVNT-WCQYABFASA-N 264.325 0.466 10 10 CCCE C[C@@H]1[C@@H]2OCC[C@H]2[C@]1(NCCCN=[N+]=[N-])C(N)=O 1912199255 QBSWOVDZAVJJEY-REIXXSIJSA-N 253.306 0.555 10 10 CCCE [N-]=[N+]=N[C@@H]1CCN(C(=O)[C@H]2CCCS2(=O)=O)C1 1912145792 LHVPDLIETUFENF-HTQZYQBOSA-N 258.303 0.475 10 10 CCCE CN1CCc2cc(CNC3CN(C(N)=O)C3)ccc21 1917790010 MTWTYKMJUJPCLK-UHFFFAOYSA-N 260.341 0.531 10 10 CCCE CC(=O)C(=O)[C@@]1(O)CCC[C@H]1NC(=O)OC(C)(C)C 1919265250 JTQGFAJQSMOZPS-NOZJJQNGSA-N 271.313 0.953 10 10 CCCE C[C@@]1(O)CN(c2c(F)cc(CO)cc2F)CC[C@@H]1O 2136879297 PAUZYAJBUUBUSI-WCQYABFASA-N 273.279 0.779 10 10 CCCE COc1ccc(O)c(C=C2C(=O)NC(=O)NC2=O)c1 8569617 NBHZUUXGMHPVRR-UHFFFAOYSA-N 262.221 0.150 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CCO[C@@H]2COCC[C@@H]21 1558551431 OJZHNNTZPUTESM-SMDDNHRTSA-N 293.319 0.657 10 10 CCCE CC(C)NC(=O)[C@@H](C)NC(=O)COc1ccc(N)cc1 228883812 IFRNBDKLRAQPTB-SNVBAGLBSA-N 279.340 0.677 10 10 CCCE CCOC(=O)[C@@H]1C[C@H]1C(=O)NCc1c(O)cccc1O 1639295660 BXTOWFPIGCTADS-RKDXNWHRSA-N 279.292 0.913 10 10 CCCE COc1cc(N2CCN(CCO)CC2)ccc1CO 2139682209 DRSOTMDSALXINR-UHFFFAOYSA-N 266.341 0.302 10 10 CCCE CO[C@H]1CCN(C(=O)COc2ccc(N)cc2)C1 234778750 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COc1ccc(N2CC(N(C)OC)C2)c(CN)c1 2220415437 RFFPXSHPFFZMTK-UHFFFAOYSA-N 251.330 0.836 10 10 CCCE CCn1cc(N)c(=NCCc2ccc(O)c(O)c2)[nH]1 2230794035 YYLFPAOYGJGSCQ-UHFFFAOYSA-N 262.313 0.973 10 10 CCCE Cc1cc([C@@H](C)O)ccc1N1CC2(CNC(=O)N2)C1 2232106239 JFRZDKZTCLUECV-SNVBAGLBSA-N 261.325 0.920 10 10 CCCE COc1ccc(N2CC3(C2)OC[C@H](O)[C@@H]3O)c(F)c1 2226773397 COQULTIVFBQFBT-RYUDHWBXSA-N 269.272 0.145 10 10 CCCE NC(=O)c1cccc(N)c1N[C@H]1CC[C@H](C(N)=O)CC1 2287893991 ZUMMWBKSVMGXMS-KYZUINATSA-N 276.340 0.824 10 10 CCCE COc1ccc(N2CC(O)(C(F)(F)CO)C2)c(C=O)c1 2288528368 DYDFHJMHLHWFGJ-UHFFFAOYSA-N 287.262 0.686 10 10 CCCE NC[C@H]1[C@@H]2CCN(C(=O)c3ccc(O)c(O)c3)C[C@H]12 2333120318 RYVITSVQYDUFQE-DCAQKATOSA-N 262.309 0.765 10 10 CCCE C[C@@H](O)c1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CF)cc1O 2333233688 IWBUYCBXJAIENB-ACRHEEIPSA-N 271.288 0.325 10 10 CCCE Cc1c([C@@H](C)N)ccc(N2CC(=O)NC(=O)C2)c1C 2340857064 UIJHYKUOOFJAAB-SNVBAGLBSA-N 261.325 0.786 10 10 CCCE COc1ccc(N(C)C[C@@](N)(C(N)=O)C2CC2)cc1 69231214 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Cc1ccc(O)c(CN2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 1972678232 XZTCFFRDRFXWNF-OLZOCXBDSA-N 275.352 0.444 10 10 CCCE O=C(O)[C@@H]1[C@@H]2CCCN(C(=O)c3cc(O)nc(O)c3)[C@@H]21 2151010403 QSMRBRRIOLRVOW-XROYCOCOSA-N 278.264 0.428 10 10 CCCE CS(=O)(=O)c1cc(O)c([C@@H](N)CCC(=O)O)cc1F 258625922 TUOOYHKGVNRQDS-QMMMGPOBSA-N 291.300 0.799 10 10 CCCE Nc1ccc(OCCS(=O)(=O)NC(=O)NC2CC2)cc1 158811630 ASFNGAJZDNVNME-UHFFFAOYSA-N 299.352 0.439 10 10 CCCE O=C1Nc2cc(N3C[C@H](O)C4(CC4)C3)c(F)cc2[C@@H]1O 2149754831 QGMHJCFFWRRIJX-RYUDHWBXSA-N 278.283 0.772 10 10 CCCE CN(C(=O)CN1CCC[C@@H]1C(N)=O)c1ccc(N)cc1 37273034 IYZUOXNQRPRCFI-GFCCVEGCSA-N 276.340 0.181 10 10 CCCE N[C@@H](c1ccccc1O)[C@@H](O)c1cnc2n1CCOC2 2148158362 ZILIGQUADQGPKS-KBPBESRZSA-N 275.308 0.852 10 10 CCCE OCc1ccc(N2C[C@H](O)C[C@@H](O)C2)c(Cl)c1 1998375054 HWSFCELELIIWNR-NXEZZACHSA-N 257.717 0.764 10 10 CCCE CN(C)c1ccc(CN=[S@@](N)(=O)N2CCOCC2)cc1 2154246125 ZROQQCSYWQDDDF-HXUWFJFHSA-N 298.412 0.842 10 10 CCCE C[C@H]1C[C@@H](CO)CN1CC(=O)N(C)c1ccc(N)cc1 2156550649 JITSHLGLSWHWHW-NWDGAFQWSA-N 277.368 0.934 10 10 CCCE CC[C@@H](N[C@@H](COC)C(N)=O)c1ccccc1O 2034942183 XHOHZECIFMWCAR-MNOVXSKESA-N 252.314 0.933 10 10 CCCE CC[C@@H](CO)CNC(=O)COc1ccc(N)cc1 2036786195 MQKIEMVFHHZPDU-SNVBAGLBSA-N 252.314 0.782 10 10 CCCE CN(Cc1ncon1)c1ccc2c(c1)N(C)C(=O)[C@@H]2N 2160446554 PQRSMNQSPIVCQM-GFCCVEGCSA-N 273.296 0.682 10 10 CCCE CNC(=O)CSC[C@H](O)COc1ccc(N)cc1 310621616 NEDQVGGRGCDQIV-SNVBAGLBSA-N 270.354 0.488 10 10 CCCE CCOC(=O)[C@H](COCCOC)NCCN=[N+]=[N-] 310899930 DZMJVESMXXQFNA-VIFPVBQESA-N 260.294 0.481 10 10 CCCE C[C@H](NCCCCS(N)(=O)=O)c1ccc(O)cc1O 312068249 GGOKSYQVROUSLN-VIFPVBQESA-N 288.369 0.817 10 10 CCCE CCN1CC[C@@H](NC(=O)COc2ccc(N)cc2)C1=O 708650290 VCFLYQIAQHRJMH-GFCCVEGCSA-N 277.324 0.385 10 10 CCCE CCNCc1ccc(N2CC(C(N)=O)C2)c(C#N)c1 381991738 KIRUVCLRFJERPE-UHFFFAOYSA-N 258.325 0.589 10 10 CCCE COC(=O)C1(NCCN=[N+]=[N-])CC(S(C)(=O)=O)C1 716071089 BLAKIMCWPJJBEI-UHFFFAOYSA-N 276.318 0.005 10 10 CCCE C[C@@H]1NC(=O)CC[C@@H]1NCc1cccc(O)c1O 392857561 BYTMCGZAWGFIGG-WPRPVWTQSA-N 250.298 0.855 10 10 CCCE CNC(=O)CCCNC(=O)COc1ccc(N)cc1 398347676 QHGIAHKUPHXZSG-UHFFFAOYSA-N 265.313 0.290 10 10 CCCE C[C@@H]1COCC(=O)N1CC(=O)N(C)c1ccc(N)cc1 2174133256 WYSFCRWPZLRMGQ-SNVBAGLBSA-N 277.324 0.479 10 10 CCCE Cc1cc(O)n2ncc(C(=O)NC[C@H](O)C3CC3)c2n1 2064753948 USVHBWCUKGHAMB-JTQLQIEISA-N 276.296 0.244 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CCO[C@@]2(CCOC2)C1 2168203463 JJRKIGJNHWWEAK-AWEZNQCLSA-N 279.292 0.729 10 10 CCCE Nc1ccc(O)c(CN2C[C@H](O)[C@@H](O)CC23CCC3)c1 2169876293 RMVBPKDRXLAJFF-KBPBESRZSA-N 278.352 0.825 10 10 CCCE O=C1Nc2cc(N3CC=CC[C@@H]3CO)c(F)cc2[C@@H]1O 2176378422 SPPDIHGXUGTWCQ-OQPBUACISA-N 278.283 0.938 10 10 CCCE C[C@@H](N)CN1CCN(C(=O)c2cccc(O)c2O)CC1 2170226218 SZSFLFVLPWVSCH-SNVBAGLBSA-N 279.340 0.203 10 10 CCCE CC1(C)OC[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1N 2199458213 RMMRWLLFHJORFA-HQJQHLMTSA-N 282.296 0.038 10 10 CCCE CCCNC(=O)CN(C)C(=O)c1cc(O)c(O)c(O)c1 2188867738 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BOFHDOKZWCFMPU-OLZOCXBDSA-N 279.340 0.270 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC[C@H](O)[C@@H]2C2CC2)cc1 2187153932 JTVQYBMRCAWYIC-KBPBESRZSA-N 296.392 0.944 10 10 CCCE C[C@@H](O)CCCNC(=O)c1cc(O)c(O)c(O)c1 2068575159 AXAXSXHJFJDVTR-SSDOTTSWSA-N 255.270 0.694 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@H]3C[C@@H]3C2=O)cc1 2071731268 VIZRDUZMPJGDHJ-KOLCDFICSA-N 266.322 0.577 10 10 CCCE CCN(C(=O)NCS(C)(=O)=O)c1ccc(N)cc1 2082899357 WAMDIMGHQQPECB-UHFFFAOYSA-N 271.342 0.807 10 10 CCCE O=c1nc(CCNCc2ccc(F)cc2O)[nH]o1 2084167112 XQRMKMNVWACYRD-UHFFFAOYSA-N 253.233 0.540 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)C[C@]23CC[C@@H]2CNC3)C1 2086351583 BUTBMCCBDZKOEN-BIAAXOCRSA-N 250.342 0.642 10 10 CCCE C[C@H]([C@@H](NN)c1ccc2c(c1)CCN2C)S(C)(=O)=O 2106861803 MQBHGIJYWMZKBK-NOZJJQNGSA-N 283.397 0.616 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CC[C@@H](CO)C1 2090016082 ZLFWFNFHOICGJF-MNOVXSKESA-N 265.309 0.918 10 10 CCCE Cc1cc(N2C[C@@]3(CO)C[C@]3(CO)C2)ccc1CN 2090122883 XNZZTLLZNXMROH-HUUCEWRRSA-N 262.353 0.635 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CC[C@H]2[C@H](C1)[C@@H]2CO 2093146100 PZQMGADRLRMFCV-GARJFASQSA-N 263.293 0.798 10 10 CCCE Nc1ccc(CCN2CC[C@](CO)(CCO)C2)cc1 2097024196 JJYXOMGPMJJTOS-HNNXBMFYSA-N 264.369 0.878 10 10 CCCE NC[C@H]1C[C@](F)(CNC(=O)c2cccc(O)c2O)C1 2112386349 MQHGNXNYWXGHDT-KTLJEJPDSA-N 268.288 0.905 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N3C[C@@H]4C[C@@]4(CO)C3)ccc21 2200841751 KKFTVEKUBAEKQT-RJIBLYRGSA-N 273.336 0.718 10 10 CCCE COc1ccc(O)c([C@H](C)N2C[C@H](O)C[C@H]2C(=O)O)c1 2200853103 WEYKAXCZKVKKLM-SBMIAAHKSA-N 281.308 0.982 10 10 CCCE CCNCc1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CO)c(C)c1 2201035526 QTFVVMOMJVUCMY-SOUVJXGZSA-N 280.368 0.007 10 10 CCCE OC[C@H]1CC[C@H]1NCc1cc2c(cc1O)OCO2 2218394099 SDBBESKQVZNCSC-PSASIEDQSA-N 251.282 0.981 10 10 CCCE COc1ccc(N2CCN(CCO)C(=O)C2)cc1 2219629903 USIWEHWBHCSXEV-UHFFFAOYSA-N 250.298 0.336 10 10 CCCE COc1ccc(N2CC[C@@](O)(CO)C2)c(C=O)c1 2220422001 TYUMSVRHUYXXPM-ZDUSSCGKSA-N 251.282 0.441 10 10 CCCE C[C@H](N)c1ccc(N2CC[C@@](O)(CO)[C@@H](O)C2)cc1 2225727111 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2343317997 MUMAIJXLQUZEAE-LBPRGKRZSA-N 263.341 0.739 10 10 CCCE Nc1ccc(OCCN2C[C@@H]3C[C@H](O)[C@H](O)[C@@H]2C3)cc1 2355343915 TZYGRZGHWDBBGX-FBUXBERBSA-N 278.352 0.464 10 10 CCCE Nc1ccc(CCCN2CCO[C@H](C(=O)O)C2)cc1 1892771113 QLRFAZRWUXGRQX-ZDUSSCGKSA-N 264.325 0.987 10 10 CCCE CN1[C@H]2CC[C@H]1CC(NCCN=[N+]=[N-])(C(=O)O)C2 116849715 ZFTASMLIPOGYMR-IUCAKERBSA-N 253.306 0.966 10 10 CCCE O=C(c1cc(O)cs1)N1C[C@@H](CO)[C@@H](CCO)C1 1353371888 YYFVRILXWCRNNK-IUCAKERBSA-N 271.338 0.517 10 10 CCCE COc1cc([C@@H](OC)[C@H](N)C(=O)O)cc(O)c1O 1952535403 OKDYXTYPEONCNR-WCBMZHEXSA-N 257.242 0.206 10 10 CCCE CN(CCS(C)(=O)=O)c1ccc2c(c1)N(C)C(=O)[C@@H]2N 131409842 ILCAUTOMSSMPER-GFCCVEGCSA-N 297.380 0.144 10 10 CCCE COc1ccc(O)c(CN2CCCN(CC(=O)O)CC2)c1 86760935 NSLTUEHANJHKAP-UHFFFAOYSA-N 294.351 0.993 10 10 CCCE CNC(=O)CCOc1ccc(N2CCNCC2)cc1 51757888 ZVGGRDBEPUMANJ-UHFFFAOYSA-N 263.341 0.611 10 10 CCCE CC(=O)C(=O)COC(=O)c1cccc([S@@](C)=O)c1 808538302 MPVWBGAAVLAXKU-GOSISDBHSA-N 268.290 0.739 10 10 CCCE C[C@H](CNC(=O)c1ccc(O)c(O)c1)c1nn[nH]n1 392694452 KTHWYSFZRRUXRI-ZCFIWIBFSA-N 263.257 0.144 10 10 CCCE COC(=O)CN(C)C(=O)NCCc1ccc(O)c(O)c1 2163531229 CXWGDEOKPZVQGY-UHFFFAOYSA-N 282.296 0.455 10 10 CCCE C[C@@H]1CS(=O)(=O)C[C@H]1Nc1c(N)cccc1C(=O)O 712311005 PKJBLYAUMUNFCH-GMSGAONNSA-N 284.337 0.812 10 10 CCCE CNCc1ccc(N2CCN(C(N)=O)CC2)c(C)c1 722174928 VPXPUTSXPWYLMR-UHFFFAOYSA-N 262.357 0.915 10 10 CCCE COc1ccc(O)c(CNC(=O)[C@H]2CN(C)C(=O)N2)c1 830543596 AEGADDOBBJRIQF-SNVBAGLBSA-N 279.296 0.041 10 10 CCCE O=C1CC[C@H](C(=O)NCc2c(O)cccc2F)O1 928711060 ZOHQCVFIJFQVLH-SNVBAGLBSA-N 253.229 0.853 10 10 CCCE C[C@@H]1CCN1C(=O)C(=O)N(C)Cc1ccccc1O 1353045662 FNEICDTVWKBTGL-SNVBAGLBSA-N 262.309 0.971 10 10 CCCE NC(=O)N=Nc1ccc(C(=O)N2CCC[C@H]2C(N)=O)cc1 1147390953 SBBYYPBJCRSEBZ-JTQLQIEISA-N 289.295 0.939 10 10 CCCE COc1ccc(N2CCCC[C@H]2CS(N)(=O)=O)c(N)c1 694891331 PHHXEYLIYRWEIL-JTQLQIEISA-N 299.396 0.925 10 10 CCCE CO[C@H]1CS(=O)(=O)C[C@@H]1N(C)c1ccc(CN)cc1 696822145 LMZQQGHTEXIJBQ-STQMWFEESA-N 284.381 0.394 10 10 CCCE Cn1cnnc1COCC(=O)NCc1c(O)cccc1O 1304053951 XDDUICAUOBCECD-UHFFFAOYSA-N 292.295 0.059 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3C[C@@H]4CCO[C@@H]4C3)ccc21 2115400249 FOFNZCFCWVGINJ-CKLFPEKLSA-N 259.309 0.864 10 10 CCCE CC(C)(F)[C@H](N)C(=O)NCCc1ccc(O)c(O)c1 2117547911 GCQXEUBPSADCNV-LLVKDONJSA-N 270.304 0.832 10 10 CCCE CN(C)c1ccc(CNC(=O)[C@@H]2CNC[C@H]2F)cc1 2120671316 IAWRYNVGXQJVMS-CHWSQXEVSA-N 265.332 0.926 10 10 CCCE NC(=O)[C@]1(O)CCN(c2ccc3c(c2)CC[C@@H]3N)C1 2128319452 TUCMFEAIWOIWNY-JSGCOSHPSA-N 261.325 0.059 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N(CCO)CC1CC1 2132349328 BNTWPKSVZQCCPJ-UHFFFAOYSA-N 267.281 0.648 10 10 CCCE Nc1ccc(OC[C@@H](O)CN2O[C@H]3C=C[C@H]2C3)cc1 1907657287 ZONGZQPNBFVKQL-OBJOEFQTSA-N 262.309 0.953 10 10 CCCE O=C(NC[C@@H](O)C1CCC1)c1cc(O)c(O)c(O)c1 2132348632 PNOMENAWLQQRCW-LLVKDONJSA-N 267.281 0.694 10 10 CCCE C[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)C[C@H]1CO 2132348153 FQMMDMVQFWHGTI-APPZFPTMSA-N 267.281 0.504 10 10 CCCE CN(C(=O)c1cc(O)c(O)c(O)c1)C1[C@@H]2CNC[C@@H]12 2132410691 OYSALRUAXSKRER-HTQZYQBOSA-N 264.281 0.093 10 10 CCCE O=C1CC[C@@H](CC(=O)NCc2cccc(O)c2O)CN1 1263894392 DSDZCJWQYFVBJG-VIFPVBQESA-N 278.308 0.630 10 10 CCCE CN(CCCN=[N+]=[N-])C(=O)Cn1cccnc1=O 1912187404 KFNJUBLJMKTQGC-UHFFFAOYSA-N 250.262 0.402 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCN(C[C@H]2CCS(=O)(=O)N2)C1 1912204318 AFRKUQIKDNEKGR-VHSXEESVSA-N 273.362 0.700 10 10 CCCE CNC(=O)[C@H](C)N(C)Cc1ccc(OC)cc1O 1916789197 BRWYEMMMZGWOQB-VIFPVBQESA-N 252.314 0.967 10 10 CCCE CNC(=O)[C@@H](C)N(C)c1cc2c(cc1Cl)[C@H](O)C(=O)N2 1916788951 YZSZGGQNRJNCSW-KBUNVGBDSA-N 297.742 0.896 10 10 CCCE COC(=O)NCC(=O)NCc1ccc(O)cc1O 1299570649 LIEGOAQLNJKSBI-UHFFFAOYSA-N 254.242 0.070 10 10 CCCE CN(C)c1ccc(Cn2c(C(=O)O)c[nH]c2=O)cc1 216357323 FLYJJJPJDKQGCV-UHFFFAOYSA-N 261.281 0.989 10 10 CCCE COc1ccc(N2CCN(C)C(=O)[C@H]2CCN)cc1 216992992 SVFOIQSBKUTWMG-CYBMUJFWSA-N 263.341 0.691 10 10 CCCE C[C@@H](NC(=O)c1nnc(O)nc1O)c1ccccc1O 1648889964 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C[C@H](NS(=O)(=O)N1CC[C@@H](O)C1)c1ccccc1O 1877590371 SRIPTIDEDJKUIY-VHSXEESVSA-N 286.353 0.354 10 10 CCCE CN(CCCN)S(=O)(=O)N(C)Cc1ccccc1O 1877522438 FOQCJTJFQBIBHF-UHFFFAOYSA-N 287.385 0.349 10 10 CCCE O=C1C[C@H](NCc2c(O)cccc2Br)C(=O)N1 1947011531 LUVHNZFJXMBHMT-QMMMGPOBSA-N 299.124 0.659 10 10 CCCE COCC1(NC(=O)c2cccc(O)c2O)CCNCC1 2149834241 BWNFENHRNRECAD-UHFFFAOYSA-N 280.324 0.596 10 10 CCCE CS(=O)(=O)C[C@H]1C[C@H](NC(=O)Cc2ccc(N)cc2)C1 1974470730 NIQCJJHWDHNUMR-AULYBMBSSA-N 296.392 0.751 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3CCS(=O)(=O)CC3)ccc21 36194950 BLMVUXKXCPEOSJ-LBPRGKRZSA-N 295.364 0.134 10 10 CCCE O=C(N[C@@H]1CCC[C@H]2CNC[C@H]21)c1cc(O)nc(O)c1 2149392809 HHUFBJHWRYJRGB-JMJZKYOTSA-N 277.324 0.611 10 10 CCCE CN1CCc2cc([C@H](O)[C@H](N)c3ncn(C)n3)ccc21 2147847843 LJCDMCWVUBCION-STQMWFEESA-N 273.340 0.541 10 10 CCCE C[C@](CCS(C)(=O)=O)(NCCN=[N+]=[N-])C(=O)O 1997982123 FYEUWHMHWPYUIA-MRVPVSSYSA-N 264.307 0.164 10 10 CCCE CN1CCCN(C(=O)c2cccc(O)c2O)CCC1=O 2152575030 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CN1C(=O)[C@H](O)c2ccc(N3C[C@@H](F)[C@H](CO)C3)cc21 2177141715 YQMQBVXWQLEOHL-RLCGTCKNSA-N 280.299 0.463 10 10 CCCE Nc1ccc(CC(=O)N2CCC[C@@]2(CO)C(=O)O)cc1 2168642987 XGDHBIVQQOINDP-CQSZACIVSA-N 278.308 0.249 10 10 CCCE COC(=O)CCCNC(=O)CN1CCC[C@H]1CN=[N+]=[N-] 2179616162 AGWCJHRDYCUFCM-JTQLQIEISA-N 283.332 0.831 10 10 CCCE O=[N+]([O-])c1cc(N2C[C@H](O)[C@H]3COC[C@@H]32)ccc1CO 2188575950 KXNJVVKWBGLZJW-DRZSPHRISA-N 280.280 0.283 10 10 CCCE COC(=O)NCCCNC(=O)c1cc(O)c(O)c(O)c1 2188914245 ZIZSYLKKFJBUDX-UHFFFAOYSA-N 284.268 0.279 10 10 CCCE CCOC(=O)[C@@]1(NCCN=[N+]=[N-])CCCNCC1 2042371378 QDJSSWIEXZXYOC-LLVKDONJSA-N 255.322 0.962 10 10 CCCE CN[C@@H]1CCc2cc(N3CC(OCC(N)=O)C3)ccc21 2184728666 AJAQFTCFTIKRTK-CQSZACIVSA-N 275.352 0.584 10 10 CCCE CC1(C)[C@@H](O)[C@H](O)CN1c1ccc(CN)cc1F 2060876946 YFFQYUFEPPHZNG-NEPJUHHUSA-N 254.305 0.605 10 10 CCCE Cn1cc(N)cc1C(=O)NCCOc1ccc(N)cc1 2191761360 NHZRALOCBBMUKG-UHFFFAOYSA-N 274.324 0.998 10 10 CCCE Nc1ccc(O)c(CN2CCO[C@@H]3COC[C@@H]32)c1 2072524256 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C[C@@H](c1ccccc1O)N(C)C(=O)[C@@H](N)CCC(N)=O 2206115281 SCGIFSKDBOPJRH-ONGXEEELSA-N 279.340 0.504 10 10 CCCE NCc1ccc(N2CCNCCNCC2)c(Cl)c1 2220632288 YSIWLNLCSQNOCC-UHFFFAOYSA-N 268.792 0.798 10 10 CCCE CO[C@@H]1CN(c2ccc(CO)cc2F)[C@@H](CO)[C@H]1OC 2233350875 DEZDAWBXTYVLLQ-BFHYXJOUSA-N 285.315 0.529 10 10 CCCE COc1ccc(N2CCn3c(CO)nnc3C2)c(F)c1 2235110954 OHCAWBKIIINNHE-UHFFFAOYSA-N 278.287 0.938 10 10 CCCE CN1N=C(C(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])CCC1=O 2225795035 KLIQLUCGBNAXLS-HTQZYQBOSA-N 264.289 0.942 10 10 CCCE CNCc1ccc(N2CCN3C(=O)COC[C@H]3C2)cc1 2236940465 DXDGCGJCNKCDGC-CQSZACIVSA-N 275.352 0.453 10 10 CCCE COc1ccc(N2C[C@H](CO)OC[C@@H]2C)c(CN)c1 2227676418 UFGVFEIMTNNQPD-GXFFZTMASA-N 266.341 0.740 10 10 CCCE COc1ccc(N2CCO[C@@H]([C@H](C)O)C2)c(CO)c1 2227711929 URIHYEQDJSHWCI-IINYFYTJSA-N 267.325 0.774 10 10 CCCE CSc1ncc(CNC(=O)[C@@H](N)CCC(=O)O)s1 2256940698 CEQNBFJSZPERER-ZETCQYMHSA-N 289.382 0.673 10 10 CCCE CNC[C@@]1(O)CCCN(Cc2ccc(O)c(O)c2)C1 2270819804 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CCN1CCC[C@H](NC(=O)c2ccc(O)c(O)c2)C1=O 722343374 HKBRNDTUFZIIHO-JTQLQIEISA-N 278.308 0.839 10 10 CCCE C[C@H]1[C@@H](CO)CCN1C(=O)Cc1ccc(O)c(O)c1 1568204389 ZUJUMGGYTZXRDV-GXSJLCMTSA-N 265.309 0.870 10 10 CCCE O=S(=O)(O)CCCNCc1cc(F)ccc1O 83458617 XJARTIWSFBVSBH-UHFFFAOYSA-N 263.290 0.899 10 10 CCCE COC(=O)[C@@H](NCCN=[N+]=[N-])c1cn(C(C)C)nn1 394038522 NWDKBDINGRPHLX-VIFPVBQESA-N 267.293 0.973 10 10 CCCE C[C@@H](N)c1ccc(N2C[C@@H](CO)[C@H](CO)C2)c(F)c1 704776383 SFYARUWUKFRNKZ-USWWRNFRSA-N 268.332 0.882 10 10 CCCE CN1CCN(C(=O)Cc2ccc(O)c(O)c2)C(C)(C)C1=O 1137330536 SEBOWYFWJWWKSY-UHFFFAOYSA-N 292.335 0.720 10 10 CCCE Nc1ccc(CCNc2cccc(S(N)(=O)=O)n2)cc1 711592785 GRUZROMWQXLLSB-UHFFFAOYSA-N 292.364 0.966 10 10 CCCE Nc1ccc(CN(CCn2cnnn2)C2CC2)cc1 712613438 CNLZMMGVUSBWAL-UHFFFAOYSA-N 258.329 0.920 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN1C(=O)[C@@H]1CCS(=O)(=O)C1 691687469 CPXWOQZAWLVCIN-RKDXNWHRSA-N 272.330 0.722 10 10 CCCE O=C(CN1C[C@@H]2COC[C@H]2C1)c1ccc(O)c(O)c1 718251494 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Nc1ccc(OC[C@@H](O)CN=S2(=O)CCC2)cc1 1913866453 FSYHCFKNPRGSEG-NSHDSACASA-N 270.354 0.880 10 10 CCCE [N-]=[N+]=NC1CN(CCS(=O)(=O)N2CCCC2)C1 1912159955 OSCAGYVYZKWBGE-UHFFFAOYSA-N 259.335 0.407 10 10 CCCE CCOC(=O)NS(=O)(=O)N1CCC[C@H](CN=[N+]=[N-])C1 1912177828 KUVGAGBXWPOZTO-MRVPVSSYSA-N 291.333 1.000 10 10 CCCE CN1C[C@@H]2[C@@H](CC[C@@]2(NCCN=[N+]=[N-])C(N)=O)C1 1912172567 FRMMIYHORGEQFL-NGZCFLSTSA-N 252.322 0.082 10 10 CCCE CN(CCN=[N+]=[N-])C1CCN(S(C)(=O)=O)CC1 1912202670 KWYSKCBUFKITOG-UHFFFAOYSA-N 261.351 0.653 10 10 CCCE CN1C(=O)[C@H](O)c2ccc(N3CCC4(COC4)C3)cc21 1915334678 UJTNEKQAVFGJNX-CYBMUJFWSA-N 274.320 0.923 10 10 CCCE COC(=O)[C@]1(F)CCN(C(=O)Cc2ccc(O)c(O)c2)C1 1445516449 PFIAFAYXXARRCP-AWEZNQCLSA-N 297.282 0.754 10 10 CCCE CCN(C(=O)c1cc(O)nc(O)c1)[C@H]1CCCNC1 110939551 JMGBCWAMOOAGAV-JTQLQIEISA-N 265.313 0.707 10 10 CCCE C[C@@H](C(=O)NCc1cc(O)ccc1O)[C@H]1CCC(=O)N1 1455356104 WQEVGCACAOQWIT-LDYMZIIASA-N 278.308 0.629 10 10 CCCE O=C(C[C@H]1CCC(=O)N1)NCc1cc(O)ccc1O 1455357181 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O=C(O)[C@H](Cc1ccc(O)c(O)c1)N1C(=O)CCC1=O 40225834 NGNSSGAFYPRVKD-QMMMGPOBSA-N 279.248 0.243 10 10 CCCE NC(=O)NC1CC(NCc2cccc(F)c2O)C1 1967844999 JFAKLSBIZJLSML-UHFFFAOYSA-N 253.277 0.820 10 10 CCCE CN1CCOC[C@H]1C(=O)NCCc1ccc(N)cc1 1969321297 XMBRUUBLSBMJDZ-ZDUSSCGKSA-N 263.341 0.258 10 10 CCCE Nc1ccc(CC(=O)N[C@]2(CO)CCCNC2)cc1 1971132161 STLBHHJGLHILKX-CQSZACIVSA-N 263.341 0.042 10 10 CCCE NC[C@]12CC[C@@H]1CCCN2C(=O)c1cc(O)nc(O)c1 2145604207 AAFIMLLCOKTJAD-IINYFYTJSA-N 277.324 0.836 10 10 CCCE CS(=O)(=O)c1cccc(O)c1[C@H](N)CC(=O)O 258367949 JEYWCANKLOMRRX-ZCFIWIBFSA-N 259.283 0.270 10 10 CCCE CN[C@H]1CCN(C(=O)c2ccc(O)c(O)c2)C[C@H]1OC 2146721744 BJDFNIFBLCNCDF-GXFFZTMASA-N 280.324 0.547 10 10 CCCE NCc1ccc(N2C[C@@H](O)C[C@@H](O)C2)c(Cl)c1 1998331635 SEYDMZINPUQJEF-AOOOYVTPSA-N 256.733 0.731 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@H]2CC[C@H]2N)cc1 2016970025 VDELHGSWWQNFLK-MNOVXSKESA-N 255.343 0.178 10 10 CCCE CN(Cc1ccccc1O)S(=O)(=O)CCCCO 2027010677 SYXYJAMBEBHVKU-UHFFFAOYSA-N 273.354 0.926 10 10 CCCE CO[C@H](C(=O)[C@@H]1CCC(=O)C1=O)C1CCOCC1 2035492122 GBJUVDYPSUCZMW-RNCFNFMXSA-N 254.282 0.545 10 10 CCCE [N-]=[N+]=N[C@@H]1CCCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 2038003267 UYRAYGNXNMUZMU-OPRDCNLKSA-N 274.346 0.309 10 10 CCCE NCc1ccc(N2CC[C@H]3C(=O)NC[C@@H]3C2)c(F)c1F 2157185092 PVGGBEWETSRRNT-NXEZZACHSA-N 281.306 0.996 10 10 CCCE C[C@H](CC(=O)N(C)C)NC(=O)c1cccc(O)c1O 311852034 ITONLUVFEBJHHY-MRVPVSSYSA-N 266.297 0.694 10 10 CCCE O=C(c1cccc(O)c1O)N1CC[C@H]2NCC[C@@H]2C1 311934274 VBSMYJKXZCASPZ-MWLCHTKSSA-N 262.309 0.922 10 10 CCCE Nc1ccc(OCCC(=O)OC[C@@H]2CCC(=O)N2)cc1 312503809 CLSMONYURDCRME-NSHDSACASA-N 278.308 0.860 10 10 CCCE O=C(O)C[C@]1(O)CCCN(Cc2ccc(O)c(O)c2)C1 2160876704 CEFQOCJUZLDJRY-CQSZACIVSA-N 281.308 0.899 10 10 CCCE O=C1NC(=O)[C@]2(CCN(c3ccc(CO)cc3F)C2)N1 2170608612 XBPGJYBPUZEGIR-CYBMUJFWSA-N 279.271 0.106 10 10 CCCE C[C@H]1CC(=O)NCCN1C(=O)CCc1ccc(N)cc1 707238968 DJPCBQIFWMIRLA-NSHDSACASA-N 275.352 0.938 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCC[C@@H](F)C1 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Nc1ccc(NC(=O)N[C@@]23CC[C@@H](C2)[C@@H](O)[C@@H]3O)cc1 2176913264 HNQRJTZRCJZORM-PRAYIBQGSA-N 277.324 0.665 10 10 CCCE Nc1ccc(NC(=O)CCN2C[C@@H](F)[C@@H](CO)C2)cc1 2177134348 CAJYELVVYPROSN-ZWNOBZJWSA-N 281.331 0.860 10 10 CCCE C[C@@H]1CN(C)C[C@H](C(=O)Nc2ccc(O)c(O)c2)O1 2065115902 YFHLTNFNMHNMFI-PRHODGIISA-N 266.297 0.755 10 10 CCCE O=C(O)C[C@@H]1CN(C(=O)c2cccc(O)c2O)C[C@H]1O 2174360736 VXQUPHLACFDUCB-GMSGAONNSA-N 281.264 0.005 10 10 CCCE C[P@@]1(=O)C[C@@H](NCc2cc3c(cc2O)OCO3)[C@@H](O)C1 2177851486 UJORJKOLHXGSQZ-CYKBGDKZSA-N 299.263 0.947 10 10 CCCE CCOc1cccc(CN[C@H]2[C@H]3CS(=O)(=O)C[C@H]32)c1O 2174643674 NJLKCHOPJKMOHU-PTEHBNRSSA-N 297.376 0.924 10 10 CCCE NC(=O)[C@H]1CCCCN1c1ccc(CO)c([N+](=O)[O-])c1 2188571866 KOZSGXCBWAFLRG-LLVKDONJSA-N 279.296 0.931 10 10 CCCE CN[C@@H](C)c1ccc(N2C[C@@H](O)C[C@@H](O)C2)cc1 2043131093 GEHABNGENBPGAY-LEWSCRJBSA-N 250.342 0.899 10 10 CCCE CNCc1ccc(N2CC(NC(N)=O)C2)c(F)c1 2044806916 FINGDICIDZLXJO-UHFFFAOYSA-N 252.293 0.402 10 10 CCCE N[C@H]1CCc2cc(N3C[C@@]4(CO)C[C@]4(CO)C3)ccc21 2184744395 VGLNJVWVIBDWRA-ARFHVFGLSA-N 274.364 0.814 10 10 CCCE Nc1ccc(NC(=O)CN2C[C@H]3C[C@@H](O)C[C@H]3C2)cc1 2185091853 OTIJWKKJKSMVGR-GNXNZQSNSA-N 275.352 0.910 10 10 CCCE CS(=O)(=O)N1CC[C@@H](N2CCC[C@H]2CN=[N+]=[N-])C1 2059060655 SWSLSTOMKYXJHL-VHSXEESVSA-N 273.362 0.795 10 10 CCCE NCC1CN(C(=O)c2ccn(-c3ccc(N)cc3)n2)C1 2191677268 BQAPCADUFLCFOL-UHFFFAOYSA-N 271.324 0.485 10 10 CCCE CO[C@@]1(C)C[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2068577117 MADYJFQQHJJFNT-SKDRFNHKSA-N 253.254 0.711 10 10 CCCE NC[C@]1(F)C[C@@H](CNC(=O)c2cccc(O)c2O)C1 2111929138 JSWDCKCYRGTCFT-KTLJEJPDSA-N 268.288 0.905 10 10 CCCE CN(C)C(=O)C1(NC(=O)c2ccc(O)c(O)c2)CC1 2103573996 LMPYYELMKNPIHG-UHFFFAOYSA-N 264.281 0.448 10 10 CCCE C[C@H](Nc1c(N)cccc1C(N)=O)[C@@H]1COCCO1 2103724038 JLCIMQPDXNRCSK-KWQFWETISA-N 265.313 0.584 10 10 CCCE Cc1cc(N2C[C@H](O)[C@H](O)[C@@H]2CF)ccc1CO 2084798976 RBWWZVXNCCUVBB-RWMBFGLXSA-N 255.289 0.367 10 10 CCCE CC1(C)COc2ccc(N3CC(N)(C(N)=O)C3)cc21 2109482005 RTWZPGCNSNESRW-UHFFFAOYSA-N 261.325 0.359 10 10 CCCE Nc1ccc(CC(=O)N[C@@H]2C[C@H](CO)[C@H]3C[C@H]32)cc1 2110551043 VLQCJPXOOAZTHS-FMKGYKFTSA-N 260.337 0.944 10 10 CCCE COc1ccc(N(C)CC(CO)CO)c([N+](=O)[O-])c1 2094027262 MZMMVYHAWAOZAW-UHFFFAOYSA-N 270.285 0.640 10 10 CCCE O=C1Nc2cc(N3CC(CCO)C3)c(F)cc2[C@H]1O 2095990081 ZMLGHMHTLZKKAQ-GFCCVEGCSA-N 266.272 0.630 10 10 CCCE CCOC(=O)[C@@](C)(NCCN=[N+]=[N-])[C@@H](C)S(C)(=O)=O 2114220538 PWWHXQXMQPZHBJ-SCZZXKLOSA-N 292.361 0.641 10 10 CCCE COc1ccc(N2C[C@@H](O)C[C@@H]2CO)cc1OC 2219643673 UVDFCEJPFAKJCF-MNOVXSKESA-N 253.298 0.636 10 10 CCCE COC(=O)[C@H](C)CS(=O)(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-] 2225791443 DFQRAXSWFHAUTI-HLTSFMKQSA-N 290.345 0.946 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H](C(=O)O)O1 2225792043 JOQIIENRQSCBLB-XHNCKOQMSA-N 268.273 0.920 10 10 CCCE CN(C)c1ccc(OC[C@@](N)(C(N)=O)C2CC2)cc1 2229371369 SFZVKYGZIHLBNW-AWEZNQCLSA-N 263.341 0.724 10 10 CCCE CSc1ncc(CNC(=O)[C@H]2C[C@H](O)CCN2)s1 2257084855 NAKSVHGORUKPMI-VXNVDRBHSA-N 287.410 0.594 10 10 CCCE CSc1ncc(CNC(=O)[C@@H]2COC[C@@H]2N)s1 2248649101 BOHUWOTYUDMQDE-SFYZADRCSA-N 273.383 0.455 10 10 CCCE CO[C@]1(CS(=O)(=O)CCCN=[N+]=[N-])CCOC1 2249131526 JTVGMRNXNIELEE-SECBINFHSA-N 263.319 0.907 10 10 CCCE C[C@@H](c1cc(O)ccc1O)N(C)CC1(O)CNC1 2259129053 AAVAUDWOZDTJOF-VIFPVBQESA-N 252.314 0.425 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3C[C@H]4COC[C@H]3C4)ccc21 2271348672 QWABNCNVGQDLGU-PLMOITTCSA-N 259.309 0.864 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CCC[C@](F)(C(=O)O)C1 2280520531 LMSHIGIWGPKVMJ-GFCCVEGCSA-N 284.243 0.522 10 10 CCCE NC(=O)C[C@H]1CCCN1CC(=O)Nc1ccc(N)cc1 2285585895 ULZYZSASHPDUNJ-GFCCVEGCSA-N 276.340 0.547 10 10 CCCE O=C1COC2(CN1)CN(c1ccc3c(c1)CC[C@H]3O)C2 2289658263 DLRQJZROKGDWTH-CYBMUJFWSA-N 274.320 0.371 10 10 CCCE [N-]=[N+]=NCCCCN1CCNC(=O)[C@H]1C1CNC1 2326749268 XETSZZMTALJHJO-SNVBAGLBSA-N 252.322 0.097 10 10 CCCE CCNCc1ccc(N2C[C@@H]3C[C@H]2[C@@H](O)[C@@H]3O)cc1 2329327018 VGYYOQCOSSKPNP-SPWCGHHHSA-N 262.353 0.726 10 10 CCCE O=C1Nc2cc(N3CC[C@H]4[C@H](O)C[C@H]43)c(F)cc2[C@H]1O 2355695701 UZGWCDAAAQOYCK-OJMGLTJKSA-N 278.283 0.771 10 10 CCCE CCn1nnc(COC(=O)Cc2ccc(N)cc2)n1 1893059749 SAWGQPWKLLBPKR-UHFFFAOYSA-N 261.285 0.561 10 10 CCCE C[C@@H](NC1CCN(CC(N)=O)CC1)c1cc(O)ccc1O 37140488 HQWOHMPLHDCAFF-SNVBAGLBSA-N 293.367 0.698 10 10 CCCE Nc1ccc(OC[C@H](O)CN2CCN(C3CC3)CC2)cc1 48989887 FUOUMUQIUWEUKJ-OAHLLOKOSA-N 291.395 0.789 10 10 CCCE C[C@H](c1c(O)cccc1O)N1CCO[C@@H](C(=O)O)C1 235173928 SIRUUICHIVADDC-LDYMZIIASA-N 267.281 0.944 10 10 CCCE CC(=O)C(=O)COc1cc2c(cc1C=O)OCO2 289532726 DWMKMWKEGZOOKE-UHFFFAOYSA-N 250.206 0.765 10 10 CCCE COCCNCc1ccc(N2CC(=O)N[C@@H](C)C2)cc1 386853288 BACCZMRXKLUWEN-LBPRGKRZSA-N 277.368 0.747 10 10 CCCE CC(=O)C(=O)COC(=O)c1ccnc(N2CCCCC2)n1 808519798 FHNFKUYXUJMHDL-UHFFFAOYSA-N 291.307 0.782 10 10 CCCE COc1ccc(O)c([C@H](C)N2C[C@@H](O)C[C@H]2CN)c1 2131039321 IFDKROSVNNZZHU-DCAQKATOSA-N 266.341 0.856 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3CCN4CCC3CC4)ccc21 722783998 UNBJQLOZCGQQKA-CQSZACIVSA-N 272.352 0.923 10 10 CCCE COc1ccc(O)c(CN2CCO[C@H]([C@@H](C)O)C2)c1 840977881 KUXXBWKYIJFZDO-YGRLFVJLSA-N 267.325 0.982 10 10 CCCE CS(=O)(=O)CC(=O)NCc1c(O)cccc1F 928711661 KYBCHANBVYYOQJ-UHFFFAOYSA-N 261.274 0.192 10 10 CCCE CC(=O)N[C@@H]1CCN(CCOc2ccc(N)cc2)C1 133774216 MBUVJFCXMPSQAE-CYBMUJFWSA-N 263.341 0.858 10 10 CCCE Cc1ccc(O)c(CN2CC(n3cc(CN)nn3)C2)c1 713361092 FLOORZZXFGMOCV-UHFFFAOYSA-N 273.340 0.808 10 10 CCCE O=C1CCc2cc(N3CC(CO)C3)c([N+](=O)[O-])cc2N1 91488380 RXUMDDUQDQPOHZ-UHFFFAOYSA-N 277.280 0.908 10 10 CCCE COc1cc2c(cc1OC)N1CCS(=O)(=O)C[C@H]1CN2 97829192 VYGJVSORSQSYCC-SECBINFHSA-N 298.364 0.733 10 10 CCCE NC(=O)[C@H]1CCC[C@H]1NCc1ccc(O)c(O)c1O 2117457304 ADUDYRHPGZFAOF-DTWKUNHWSA-N 266.297 0.547 10 10 CCCE O=C(CN1C[C@@H](F)[C@@H](CO)C1)c1ccc(O)c(O)c1 2120595895 CQWHXARKZFAJQN-NXEZZACHSA-N 269.272 0.543 10 10 CCCE Cc1ccc(O)c(CN2CC[C@@]3(CNC(=O)N3)C2)c1 2121193312 QJOKAXCSEJXMIZ-CQSZACIVSA-N 261.325 0.958 10 10 CCCE Cc1ccc([C@H](C)N[C@@H]2CS(=O)(=O)C[C@@H]2O)c(O)c1 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CN(CCN=[N+]=[N-])CC(=O)n1nc2ccccn2c1=O 1912148531 UTNIYGKOMOCONW-UHFFFAOYSA-N 275.272 0.378 10 10 CCCE NC(=O)C1(O)CN(c2ccc(CO)c(C(F)(F)F)c2)C1 1915238077 PFPDDWLZXSLBAK-UHFFFAOYSA-N 290.241 0.234 10 10 CCCE CN[C@@H](C)c1ccc(N2CC(O)(C(N)=O)C2)c(Cl)c1 1915248404 FVVXDJYSAKCZKM-QMMMGPOBSA-N 283.759 0.657 10 10 CCCE CC(=O)C(=O)[C@@](C)(O)c1cccc(-n2cnnn2)c1 1919051986 KUOMYFKPUSNDJW-LBPRGKRZSA-N 260.253 0.028 10 10 CCCE CN1CCN(c2ccc3c(c2)OCO3)[C@@H](CO)C1=O 217059494 IBOWUCABDPJYLX-JTQLQIEISA-N 264.281 0.055 10 10 CCCE COc1ccc(N2C[C@@H](C)N[C@@H](CO)C2)c(OC)c1 217179187 SQXQTSLUCPJVOW-GHMZBOCLSA-N 266.341 0.863 10 10 CCCE O=[N+]([O-])/C=C/c1ccc(N(CCO)CCO)cc1 219032849 GSPLBISHOOSBKI-AATRIKPKSA-N 252.270 0.725 10 10 CCCE COCCCS(=O)(=O)Nc1ccc(O)c(N)c1 198759829 DOIJRPSYOOIWMU-UHFFFAOYSA-N 260.315 0.753 10 10 CCCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnc(O)n1C 1611430513 DRQORADQPWIRMM-MRVPVSSYSA-N 291.307 0.898 10 10 CCCE O=C(NC[C@@H]1COCCO1)[C@H]1CNc2ccccc2N1 229878003 OHVCXJIVJPEKNF-ZWNOBZJWSA-N 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CN(Cc1nncn1C)C(=O)Cc1ccc(N)cc1 394054871 SSNKQSBYQABROL-UHFFFAOYSA-N 259.313 0.598 10 10 CCCE C[C@H](O)c1ccc(N2CC[C@@]3(CNC(=O)N3)C2)cc1O 2177669282 UVBLBCVPXAROOM-LKFCYVNXSA-N 277.324 0.707 10 10 CCCE COc1cccc(CNC[C@H]2[C@@H]3CS(=O)(=O)C[C@H]23)c1O 2174619853 RFRGLFFDOIORJW-CNDDSTCGSA-N 297.376 0.781 10 10 CCCE CC[C@@]1(CO)COCCN1C(=O)c1ccc(O)c(O)c1 2169066542 NWKLVCQPTQBURJ-CQSZACIVSA-N 281.308 0.711 10 10 CCCE O=[N+]([O-])c1cc(CO)ccc1N1CCC[C@@H]1[C@@H](O)CO 2179743289 OIZJPGNNXQURCP-YPMHNXCESA-N 282.296 0.409 10 10 CCCE C[C@@H](CN(C(=O)c1cc(O)nc(O)c1)C1CC1)C(=O)O 2187744077 ZILKNINBAWBURW-ZETCQYMHSA-N 280.280 0.818 10 10 CCCE CCn1nnnc1CN(C)C(=O)Cc1ccc(N)cc1 2196297909 YQNCMUBNZAZKTH-UHFFFAOYSA-N 274.328 0.476 10 10 CCCE Cc1nc([C@H](C)NC(=O)c2cc(O)c(O)c(O)c2)n[nH]1 2188874686 JTHXODFMDMMOBY-YFKPBYRVSA-N 278.268 0.721 10 10 CCCE O=C(O)C[C@H](NC(=O)c1cc(O)c(O)c(O)c1)C1CC1 2188868239 NUPHFKLNEUNGOR-QMMMGPOBSA-N 281.264 0.787 10 10 CCCE O=C(N[C@]12CCC[C@@H]1CNC2)c1cc(O)c(O)c(O)c1 2188923131 KALUZDITQYFFLC-OTYXRUKQSA-N 278.308 0.675 10 10 CCCE N[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)CC12CCC2 2188924948 RUEJRRLOOKLSDZ-LLVKDONJSA-N 278.308 0.757 10 10 CCCE O=C1NC[C@]2(CCN(c3ccc4c(c3)CC[C@@H]4O)C2)N1 2184732552 AJCGIKZXVKWSMQ-ZFWWWQNUSA-N 273.336 0.928 10 10 CCCE C[C@@](O)(CCO)CNC(=O)Cc1ccc(N)cc1 2045286072 ZEHVLKQAWBJDJQ-CYBMUJFWSA-N 252.314 0.061 10 10 CCCE C[C@H](N[C@@H]1C[C@H](O)C[C@H]1O)c1c(O)cccc1O 2046491330 XDOHDGGRHAIGCC-APOZVJGGSA-N 253.298 0.633 10 10 CCCE COc1ccc(CN[C@@H]2CO[C@H]3COC[C@@H]23)c(O)c1 2101874909 CWDCEDJECOEFIM-SCRDCRAPSA-N 265.309 0.904 10 10 CCCE Nc1ccc(CS(=O)(=O)NC2[C@@H]3COC[C@@H]23)cc1 2054327672 UUGXDNJBXUDEES-GHMZBOCLSA-N 268.338 0.333 10 10 CCCE O=C(NC[C@H]1OCC[C@H]1F)c1cccc(O)c1O 2058667914 KWSDHJQOIAWMAZ-PSASIEDQSA-N 255.245 0.955 10 10 CCCE CS(=O)(=O)[C@@H]1CCN(c2ccc(CN)c(F)c2)C1 2059355114 AAVLGLCGAAMFEF-LLVKDONJSA-N 272.345 0.908 10 10 CCCE Nc1cc2c(cc1N1C[C@H](N)C3(CC3)C1)NC(=O)CO2 2191558246 FYBUDGPFFUSBHY-LBPRGKRZSA-N 274.324 0.527 10 10 CCCE Nc1cc2c(cc1N1C[C@H]3CCN[C@H]3C1)NC(=O)CO2 2191841590 CXTKYIUSOAKWKF-KCJUWKMLSA-N 274.324 0.398 10 10 CCCE CCOC[C@@H](C)NC(=O)c1cc(O)c(O)c(O)c1 2068566899 MWAWMISMHFMZIW-SSDOTTSWSA-N 255.270 0.958 10 10 CCCE CO[C@H]1C[C@@](CO)(NCc2ccc(O)cc2O)C1 2077899075 MNIZMQRPGGAMTD-BJHJDKERSA-N 253.298 0.727 10 10 CCCE CN1CCc2cc([C@@H](NN)C3CS(=O)(=O)C3)ccc21 2106852671 IMLNQSZJXANBCG-CYBMUJFWSA-N 281.381 0.228 10 10 CCCE CN[C@H](c1ccc(N(C)C)cc1)C1(O)CS(=O)(=O)C1 2106855412 NYRSXFYWLHZLGH-GFCCVEGCSA-N 284.381 0.173 10 10 CCCE NCc1ccc(N2CC[C@@H](OCC(N)=O)C2)cc1F 2089132783 HBUBDTNKKUQLHM-LLVKDONJSA-N 267.304 0.365 10 10 CCCE C[C@@H](c1ccccc1O)N(C)C(=O)CC1(O)CNC1 2110662044 WBXRAIZZSMBNFY-JTQLQIEISA-N 264.325 0.636 10 10 CCCE C[C@@H]1C[C@@H]1N(CCO)C(=O)Cc1ccc(O)c(O)c1 2110787802 VSNSDMDMYNBFAU-KOLCDFICSA-N 265.309 0.870 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1C[C@H](O)[C@H](C2CC2)C1 2090674679 OZERJZHEFPJNIE-UWVGGRQHSA-N 264.281 0.336 10 10 CCCE Nc1ccc(OCC(=O)N2C[C@@H]3[C@@H](CO)[C@@H]3C2)cc1 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0.946 10 10 CCCE COc1ccc(N2[C@H](CO)C[C@@H]3OCC[C@@H]32)c(CO)c1 2236002851 OLBBVAHDKRZZMS-CQDKDKBSSA-N 279.336 0.916 10 10 CCCE COc1ccc(N2CC[C@@](O)(CN(C)C)C2)c(CO)c1 2236004750 ZKJNYCUVUMBGQL-OAHLLOKOSA-N 280.368 0.690 10 10 CCCE CSc1ncc(CNC[C@@H](N)c2cn(C)nn2)s1 2257114322 GNSFRLBIOHEBPL-MRVPVSSYSA-N 284.414 0.783 10 10 CCCE O=C(NCCN1CC[C@H]2C[C@@H]21)c1cccc(O)c1O 2274504215 OMRSSZXWTKZJKT-ONGXEEELSA-N 262.309 0.922 10 10 CCCE COc1ccc(=NC(=O)COc2ccc(N)cc2)[nH]n1 2295280445 BRIDJMACWRDTHS-UHFFFAOYSA-N 274.280 0.507 10 10 CCCE C[C@@H]1CN(C(=O)Cc2ccc(N)cc2)CC2(CNC2)O1 2288586698 TVDIZGWQYKOHJG-LLVKDONJSA-N 275.352 0.401 10 10 CCCE CCC[C@@]1(NC(=O)Cc2ccc(N)cc2)CCNC1=O 2289932744 KCFVMULPJNAEJF-OAHLLOKOSA-N 275.352 0.986 10 10 CCCE COc1ccc(O)c(CN[C@H]2CO[C@@H]3COC[C@@H]32)c1 2329409398 DMSBBFOJGLKRQJ-MBNYWOFBSA-N 265.309 0.904 10 10 CCCE N[C@@H]1CCc2cc(N3C[C@@H]4C[C@H]3[C@H](O)[C@H]4O)ccc21 2331550793 QCLPIYXDUHSAHT-OLGNFVKLSA-N 260.337 0.563 10 10 CCCE O=C(O)C[C@@H]1C[C@H]1CNC(=O)c1cc(O)nc(O)c1 2335883874 NIJCCAIPJRTTFF-XPUUQOCRSA-N 266.253 0.333 10 10 CCCE CS(=O)(=O)[C@@H]1CC[C@H]1NC(=O)c1ccc(O)c(O)c1 2342663418 WBDGVJGRYMBZRS-LDYMZIIASA-N 285.321 0.403 10 10 CCCE C[C@H](CCCC(=O)O)NC(=O)c1cc(O)nc(O)c1 131479172 VFVKOKULLGVBFG-SSDOTTSWSA-N 268.269 0.866 10 10 CCCE CN(C)c1ccc([C@H](CN)N2CCn3cnnc3C2)cc1 81533028 ITGBWSKEODBFEX-AWEZNQCLSA-N 286.383 0.860 10 10 CCCE C[C@@H](CC(N)=O)NC(=O)COc1ccc(N)cc1 136064358 UAAIZHBQMGPXEB-QMMMGPOBSA-N 251.286 0.028 10 10 CCCE COC(=O)CCCS(=O)(=O)Nc1ccc(N)cc1 42534815 PNJJIAGCLXBDLX-UHFFFAOYSA-N 272.326 0.964 10 10 CCCE NC(=O)[C@H]1CCN(C(=O)c2cccc(O)c2O)C1 229046473 XPMPCINQCYEPRL-ZETCQYMHSA-N 250.254 0.045 10 10 CCCE C[C@H]1CNCC[C@H]1NC(=O)c1ccc(O)c(O)c1 235603120 WAUAKGWMVOMPDU-WCBMZHEXSA-N 250.298 0.826 10 10 CCCE C[C@@H]1C(=O)NC(=O)CN1c1ccc(CN)cc1Cl 97289864 XZOWLCLNNBYOBJ-SSDOTTSWSA-N 267.716 0.650 10 10 CCCE COC[C@@H](CO)NCc1ccc2c(c1)CCN2C 234876835 PNKAMLCYNOKSJW-CYBMUJFWSA-N 250.342 0.776 10 10 CCCE COC(=O)[C@H](NCCCN=[N+]=[N-])c1cn(CCCO)nn1 90639306 KLYSDOZOTPOTAE-SNVBAGLBSA-N 297.319 0.165 10 10 CCCE COc1ccc(N2CCN(C(=O)/C=C\CN)CC2)cc1 381903133 CXCMYQGFMZUVCW-IHWYPQMZSA-N 275.352 0.859 10 10 CCCE COc1ccc(N(C)C2(CN)COCCOC2)cc1 389409764 KTCOFPCHRDJNHT-UHFFFAOYSA-N 266.341 0.876 10 10 CCCE C[C@@]12CN(CC(=O)Nc3ccc(N)cc3)C[C@]1(CO)C2 2165462828 GAAWSKGQTFDDQO-CABCVRRESA-N 275.352 0.912 10 10 CCCE CC(=O)C(=O)COC(=O)c1nc(C)n2ccccc12 808520727 XDRMPYCNGCTNIF-UHFFFAOYSA-N 260.249 0.958 10 10 CCCE COc1ccc(N2CC[C@]3(C2)NC(=O)NC3=O)c(N)c1 2170623796 LDZHLOHPVJMNJL-CYBMUJFWSA-N 276.296 0.066 10 10 CCCE CC(C)(C)n1nnc(C(=O)NCc2ccc(O)c(O)c2)n1 830559446 NPPYHBVZIZSPKT-UHFFFAOYSA-N 291.311 0.769 10 10 CCCE CN(C)c1ccc(CNC(=O)NCCCN)cc1 841651770 ALSYKFNIRRIFTP-UHFFFAOYSA-N 250.346 0.901 10 10 CCCE Cn1cnnc1COCC(=O)NCc1c(O)cccc1F 928705334 GZWHLTLUJTYVAF-UHFFFAOYSA-N 294.286 0.493 10 10 CCCE CN(Cc1ccccc1O)C[C@H](O)C1(O)CCOCC1 929975010 CRSIHKQLDZPVSE-AWEZNQCLSA-N 281.352 0.726 10 10 CCCE O=C(O)[C@H](c1ccc(O)c(O)c1)N1C(=O)CCC1=O 83480458 BNHZCSRAIBKOJI-NSHDSACASA-N 265.221 0.373 10 10 CCCE CNCc1nnc([C@@](C)(N)Cc2ccc(O)c(O)c2)o1 83585585 WLWJRCYBQSHUNL-ZDUSSCGKSA-N 278.312 0.617 10 10 CCCE CN1C[C@@H](C(=O)O)[C@H](O)c2cc3c(cc21)OCCO3 84165254 PBKSHTZXKKEGOV-PRHODGIISA-N 265.265 0.642 10 10 CCCE Nc1ccc(NC(=O)CCN2CCCOCC2=O)cc1 688079851 VCTUGVLOSCUUFP-UHFFFAOYSA-N 277.324 0.846 10 10 CCCE O=C1CCC(=O)N1CCNCc1cc(F)cc(F)c1O 708453519 IBKFYWIFJSWKNN-UHFFFAOYSA-N 284.262 0.909 10 10 CCCE COc1ccc(O)c(CN[C@@H](CO)CN(C)C)c1 716705697 TYRLETBEODBIDB-LLVKDONJSA-N 254.330 0.413 10 10 CCCE CCOC(=O)CS(=O)(=O)N1CCC[C@@H]1CN=[N+]=[N-] 692808594 ZHMTUNZHCBGBHQ-MRVPVSSYSA-N 276.318 0.654 10 10 CCCE CN1CCc2cc(CN(CC(=O)O)CC(=O)O)ccc21 86774087 RKUPSNRTPGGWHU-UHFFFAOYSA-N 278.308 0.650 10 10 CCCE C[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CCN1C 1146525681 FYGFDQWHOUDKFO-SNVBAGLBSA-N 264.325 0.803 10 10 CCCE COc1ccc(CN(C)[C@@H]2COC[C@@H]2C(=O)O)c(O)c1 90425857 JZVYBVKLSWULOQ-NWDGAFQWSA-N 281.308 0.932 10 10 CCCE [N-]=[N+]=NCCCN[C@H](C(=O)O)c1cn(CCCO)nn1 90639304 FNEAYUKUHRFUGB-VIFPVBQESA-N 283.292 0.076 10 10 CCCE C[C@H]1C(=O)NC(=O)CN1c1ccc(CNC2CC2)cc1 97295254 NEVGNRASJAYTSE-JTQLQIEISA-N 273.336 0.790 10 10 CCCE Cn1c(C(=O)NCc2ccc(O)cc2O)cccc1=O 1162278995 PZGJQHYZPAPHDP-UHFFFAOYSA-N 274.276 0.727 10 10 CCCE CO[C@H](C1CNC1)[C@@H](O)c1ccc2c(c1)CCN2C 2115733099 UNRYLZDTKLPLHA-LSDHHAIUSA-N 262.353 0.947 10 10 CCCE C[C@@H](N[C@@H]1[C@H]2CS(=O)(=O)C[C@H]21)c1ccc(O)cc1O 2118011155 AFDNJVNSPNQQPF-XDRUHAPNSA-N 283.349 0.791 10 10 CCCE CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](O)CN 2120327450 VVOSTJXGSWNTCD-CYBMUJFWSA-N 265.357 0.421 10 10 CCCE CN(C)CCN(CCO)c1ccc2c(c1)CC[C@@H]2N 2128329899 ZVHZIMQHMVWICA-HNNXBMFYSA-N 263.385 0.993 10 10 CCCE CNC1CC(CCNC(=O)c2cc(O)nc(O)c2)C1 2131905935 BDDBTJRNDBFBEW-UHFFFAOYSA-N 265.313 0.611 10 10 CCCE N[C@@H]1CC[C@H](C(=O)O)N(Cc2ccc(O)cc2O)C1 2132275618 YRPVYLWDQJQNMK-MWLCHTKSSA-N 266.297 0.474 10 10 CCCE Cc1n[nH]c(C)c1S(=O)(=O)N1CC(N=[N+]=[N-])C1 1912160174 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1635546966 HENMRXXLWYPTEQ-ZDUSSCGKSA-N 294.311 0.976 10 10 CCCE NC(=O)NCCNC(=O)c1cc2cc(O)c(O)cc2s1 1643824525 CYSQPYQEKZSGOG-UHFFFAOYSA-N 295.320 0.711 10 10 CCCE Cc1cccc(CNS(=O)(=O)CCC2CNC2)c1O 2139761502 HZJOGRRAHHLGGQ-UHFFFAOYSA-N 284.381 0.730 10 10 CCCE CN(C)C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)CCO1 153001436 IRDIQEOKJCDGAU-GFCCVEGCSA-N 294.351 0.883 10 10 CCCE CCOC(=O)CCCNC(=O)c1cc(O)c(O)c(O)c1 1865876007 MGIMWZQOJQBIOR-UHFFFAOYSA-N 283.280 0.877 10 10 CCCE Cc1ccc(O)c(CNCC(=O)N2CCC[C@@H]2C(=O)O)c1 1857868109 RMGHMZBARNVYFW-GFCCVEGCSA-N 292.335 0.866 10 10 CCCE Cc1cccc(O)c1CN[C@@H]1COC[C@H]1S(C)(=O)=O 2142477246 XBLSGYYNMQQNMR-DGCLKSJQSA-N 285.365 0.602 10 10 CCCE Cc1ccc(O)c(CN[C@H]2COC[C@@H]2S(C)(=O)=O)c1 2142489851 HAHOIDOWCUJMGE-AAEUAGOBSA-N 285.365 0.602 10 10 CCCE CNCc1ccc(N2CCO[C@@H](CS(C)(=O)=O)C2)cc1 2143669971 AQCMEVWWHMKIJT-CQSZACIVSA-N 298.408 0.656 10 10 CCCE CN1C(=O)[C@H](O)c2ccc(N3[C@@H]4COC[C@H]3C4)cc21 1899635528 QARXYKGIDFTSQP-GBIKHYSHSA-N 260.293 0.674 10 10 CCCE NC[C@@H]1C[C@@H](Nc2c(N)cccc2C(N)=O)CCO1 1876466972 PGQWHVQWAVBFNK-IUCAKERBSA-N 264.329 0.286 10 10 CCCE Nc1ccc(CCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 20186606 JFYROGWBVRAGDU-GFCCVEGCSA-N 282.365 0.505 10 10 CCCE Cc1ccc(CN2CCO[C@H](CS(C)(=O)=O)C2)c(O)c1 897599050 LPTXFGSWNZKJCQ-ZDUSSCGKSA-N 299.392 0.946 10 10 CCCE Nc1ccc(CS(=O)(=O)NC[C@@H]2CCCNC2=O)cc1 2144022173 CDDLDRKCBAJXKI-NSHDSACASA-N 297.380 0.214 10 10 CCCE O=C(c1cccc(O)c1O)N1CCOC[C@H](CO)C1 1965458488 GNERBUVKWQIYRK-VIFPVBQESA-N 267.281 0.179 10 10 CCCE Oc1cccc(F)c1CNCCN1CC2(COC2)C1 1967703288 ONNWFPHUSTVIHB-UHFFFAOYSA-N 266.316 0.953 10 10 CCCE COC(=O)C[C@H](N)c1cc2c(cc1O)OCCO2 260405933 GYJYOUSTDLANEL-QMMMGPOBSA-N 253.254 0.726 10 10 CCCE COC(=O)C[C@@H](N)c1ccc(S(C)(=O)=O)cc1O 260823457 YZFIBADDBDORBF-SECBINFHSA-N 273.310 0.359 10 10 CCCE CS(=O)(=O)CCCNCc1cc2c(cc1O)OCO2 42880302 XUKMZSJJGZZPPE-UHFFFAOYSA-N 287.337 0.645 10 10 CCCE COCCN(CCO)c1cc2c(cc1N)OCC(=O)N2 164173774 WJDFQOPPGBXJTR-UHFFFAOYSA-N 281.312 0.045 10 10 CCCE Nc1ccc(CCc2nc3c(=O)[nH]c(=O)[nH]c3[nH]2)cc1 166502830 IDZBKNYEGZQUNN-UHFFFAOYSA-N 271.280 0.307 10 10 CCCE CN[C@@H](COC)[C@H](O)c1ccc2c(c1)CCN2C 2030701865 MBVZBYMEEDEIFY-GXTWGEPZSA-N 250.342 0.947 10 10 CCCE C[C@]1(O)CON(CC(=O)c2ccc(O)c(O)c2)C1 2032466675 PQXWFWUXGRAOCG-GFCCVEGCSA-N 253.254 0.279 10 10 CCCE COC[C@@]1(O)CCN(CCc2ccc(N)cc2)C1 2034408018 AXRLUUXPCGUMBG-CQSZACIVSA-N 250.342 0.895 10 10 CCCE NC(=O)[C@H](NC(=O)c1ccc(O)c(O)c1)C1CC1 2035299859 HZGGIKUWOXRFKO-SNVBAGLBSA-N 250.254 0.092 10 10 CCCE CCN1C[C@H](N2CCCc3cc(CN)ccc32)[C@H](O)C1 2156954161 DGLKFHJPEDXRAV-JKSUJKDBSA-N 275.396 0.963 10 10 CCCE Cc1ccc(O)c([C@@H](C)N2CCN(CC(N)=O)CC2)c1 700791294 VCKJFHWKSFOZMK-GFCCVEGCSA-N 277.368 0.865 10 10 CCCE CCOC[C@H](NC(=O)CCc1ccc(N)cc1)C(=O)O 2157652983 DCJWLBTVKWEEKP-LBPRGKRZSA-N 280.324 0.807 10 10 CCCE Nc1ccc(CCC(=O)N2C[C@H]3C[C@H]2[C@@H](O)[C@@H]3O)cc1 2160712811 BYQIXXHVYJCCED-DZGBDDFRSA-N 276.336 0.154 10 10 CCCE CN(CCS(=O)(=O)N1CCOCC1)c1ccc(N)cc1 312506130 IAKVLTWXHZUALI-UHFFFAOYSA-N 299.396 0.367 10 10 CCCE NCc1ccc(N2CC[C@@H]3C(=O)NC(=O)[C@H]3C2)c(Cl)c1 2158784760 JYBHQKLXGOIUOP-UWVGGRQHSA-N 293.754 0.898 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)[C@@H]2NC[C@@H]3CCC[C@@H]32)C1 2049786672 OHTKCONBHUKRJU-CCJOIDDDSA-N 250.342 0.640 10 10 CCCE Nc1ccc(N2C(=O)N[C@@H](Cc3ncns3)C2=O)cc1 2172339701 ZFRKAAOBNDGIDT-VIFPVBQESA-N 289.320 0.788 10 10 CCCE C[C@H](CO)CN(C)C(=O)[C@@H]1CNc2ccccc2N1 708487354 QZQDJMZATMGMJH-GWCFXTLKSA-N 263.341 0.979 10 10 CCCE CCCN1CC(NC(=O)c2ccc(O)c(O)c2)C1 379114601 LHVANVABPZWJFJ-UHFFFAOYSA-N 250.298 0.922 10 10 CCCE CCNC(=O)C[S@@](=O)CCC(=O)Nc1ccc(N)cc1 379910208 PVKDCKVHUDNHMI-FQEVSTJZSA-N 297.380 0.482 10 10 CCCE COc1cccc(CNCC(=O)N2CCOCC2)c1O 380115666 PTKVJKDEBSERJE-UHFFFAOYSA-N 280.324 0.349 10 10 CCCE [N-]=[N+]=NCCN[C@@]1(C(N)=O)C[C@H]2CCCN(C2)C1 717241761 CBBUXOFWQWVFDV-KOLCDFICSA-N 252.322 0.226 10 10 CCCE CO[C@@H]1CS(=O)(=O)C[C@H]1N(C)c1ccc(CO)cc1 696821800 JZGDOYIDQLTJGA-CHWSQXEVSA-N 285.365 0.427 10 10 CCCE C[C@H]1[C@H](NCc2ccc(O)c(O)c2O)CCN1C 719569293 IEHFFZZUINQQAR-WCBMZHEXSA-N 252.314 0.986 10 10 CCCE Nc1ccc(CS(=O)(=O)NCc2ccc(O)nn2)cc1 391410672 OQNNJLSWOMSUKT-UHFFFAOYSA-N 294.336 0.384 10 10 CCCE CNC(=O)CCCNC(=O)c1ccc(O)c(O)c1 398105337 MJADMGGUEAGTJV-UHFFFAOYSA-N 252.270 0.354 10 10 CCCE O=C1Nc2cc(N3CC[C@@H](OCCO)C3)ccc2[C@H]1O 2165346951 UHUJVVFLYKJJRL-ZWNOBZJWSA-N 278.308 0.260 10 10 CCCE CC(C)[C@@H](C(=O)O)[C@H](C)NC(=O)c1cc(O)nc(O)c1 399417550 GPBNXFJVHMHFKI-WRWORJQWSA-N 282.296 0.968 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)Nc1n[nH]cc1C(=O)O 2174051671 OCVDOJRERKNBAE-UHFFFAOYSA-N 277.236 0.700 10 10 CCCE NC(=O)[C@H]1CCC[C@@H]1NS(=O)(=O)Cc1ccc(N)cc1 2174103539 MZGCGIRNLDUZKH-RYUDHWBXSA-N 297.380 0.342 10 10 CCCE Cc1cc(O)n2ncc(C(=O)N[C@H](C)[C@H]3CCOC3)c2n1 2064092418 WXQAYCCPSVLRDF-ZJUUUORDSA-N 290.323 0.898 10 10 CCCE CN[C@H](c1ccccc1O)[C@]1(O)CO[C@@]2(CCOC2)C1 2178948441 MKHFGHSSFPFGLW-QLFBSQMISA-N 279.336 0.963 10 10 CCCE O=C(N[C@@H]1CO[C@@]2(CCOC2)C1)c1ccc(O)c(O)c1 2178987896 BFIGPTXMODMQPX-HZMBPMFUSA-N 279.292 0.776 10 10 CCCE CN(CCn1cccn1)C(=O)c1cc(O)c(O)c(O)c1 2188875627 SGIHQPQAIJQKBM-UHFFFAOYSA-N 277.280 0.772 10 10 CCCE Cc1nn(C)cc1CNC(=O)c1cc(O)c(O)c(O)c1 2188868023 KTHGFJQBYGRKAR-UHFFFAOYSA-N 277.280 0.775 10 10 CCCE OCc1cc(F)c(N2C[C@@H]3C[C@H](C2)[C@H](O)[C@@H]3O)c(F)c1 2182547417 KXPYYMIOQAFDFD-LPQAMYBRSA-N 285.290 0.635 10 10 CCCE CCN(Cc1cnnn1C)C(=O)Cc1ccc(N)cc1 2196704229 LXEORADPKOKSFU-UHFFFAOYSA-N 273.340 0.989 10 10 CCCE CN(CCS(=O)(=O)N(C)C)Cc1cc(N)ccc1O 2094684497 YIURRPNFOTYSHQ-UHFFFAOYSA-N 287.385 0.298 10 10 CCCE C[C@@H](N)c1ccc(N2CC[C@@H]3OCC(=O)N[C@@H]3C2)cc1 2185521161 HMIBCUJCFUPRCY-HONMWMINSA-N 275.352 0.800 10 10 CCCE CN(C)CCCONC(=O)c1cccc(O)c1O 2054419724 IIMJHZBZDURMFX-UHFFFAOYSA-N 254.286 0.711 10 10 CCCE O=C(NC[C@@H]1OCC[C@@H]1F)c1ccc(O)c(O)c1 2058666920 DYRFDMANDHWTCQ-KWQFWETISA-N 255.245 0.955 10 10 CCCE COc1cc(N)c(N2CCC[C@@](O)(CN)C2)cc1OC 2191569351 TUOZFPDOXVEHGF-CQSZACIVSA-N 281.356 0.576 10 10 CCCE C[C@H]1CNC[C@@H]1CCNS(=O)(=O)Cc1ccc(N)cc1 2191641996 WXHXMVVPXRFIHS-AAEUAGOBSA-N 297.424 0.934 10 10 CCCE COCC1(NCc2c(O)cccc2OC)COC1 2068957210 BRQIKZHNKPNIEO-UHFFFAOYSA-N 253.298 0.906 10 10 CCCE NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)CCOc1ccc(N)cc1 2198967947 DAUGPDUCQIFSNW-LEWSCRJBSA-N 275.352 0.843 10 10 CCCE N[C@H]1CCC[C@@H](CNC(=O)c2cc(O)nc(O)c2)C1 2100298928 LJCIZAABAZFTJJ-SCZZXKLOSA-N 265.313 0.740 10 10 CCCE C[C@]1(C(=O)NCc2ccccc2O)COCCN1 2081287983 VXVHANOPTWWEID-CYBMUJFWSA-N 250.298 0.387 10 10 CCCE C[C@H]1CN[C@H](C(=O)NCCc2ccc(O)c(O)c2)C1 2103020410 MLQUAPJVPLAJPB-KOLCDFICSA-N 264.325 0.755 10 10 CCCE NC(=O)N1CC[C@H](NCc2ccc(F)cc2O)C1 2084165486 GHAMCARQWTZKGJ-JTQLQIEISA-N 253.277 0.774 10 10 CCCE NN[C@@H](c1ccc(N2CCCC2)cc1)c1nc[nH]n1 2106823856 TXHOEFQEZUUUGK-LBPRGKRZSA-N 258.329 0.958 10 10 CCCE Cn1ncc(Cn2ccc3c(c2=O)CNCC3)c1Cl 2111935954 UVVOYGKYIMCYTQ-UHFFFAOYSA-N 278.743 0.929 10 10 CCCE COCCNCc1ccc(N2C[C@H](O)[C@@H](F)C2)cc1 2092827344 UYCGDALBGRAODZ-KBPBESRZSA-N 268.332 0.942 10 10 CCCE Nc1ccc(CCN[C@@H]2CCN(C3COC3)C2)cc1 2113270792 IXDYBOBAHMVVOM-CQSZACIVSA-N 261.369 0.874 10 10 CCCE CN1CCc2cc([C@@H](NN)C3COCCOC3)ccc21 2203645758 AJYQLXHQMMDDAD-OAHLLOKOSA-N 277.368 0.846 10 10 CCCE COc1cc(N2C[C@@H]3C[C@H]2CN3C(C)=O)ccc1CO 2204547466 KCONVVSWZLBGRY-KBPBESRZSA-N 276.336 0.997 10 10 CCCE COc1cc(N2C[C@H]3CCS(=O)(=O)[C@H]3C2)ccc1CN 2204555075 REXLFEGBEBLJQV-RISCZKNCSA-N 296.392 0.777 10 10 CCCE CS(=O)(=O)[C@@H]1CCC[C@@H]1Nc1c(N)cccc1C(N)=O 2206082043 KVSTVNAIUXHGAE-WDEREUQCSA-N 297.380 0.745 10 10 CCCE CN(C)c1ccc(OCc2n[nH]c(=NN)s2)cc1 2221882387 DZCAYFHHXOORQE-UHFFFAOYSA-N 265.342 0.891 10 10 CCCE Cc1cc([C@H](C)O)ccc1N1C[C@H](O)[C@@H](CO)C1 2223970706 CYFBOEZIJDFVPQ-SUHUHFCYSA-N 251.326 0.838 10 10 CCCE CN1C(=O)C(Cl)=C(NCCc2ccc(N)cc2)C1=O 2224623025 AFPCWDSPDJJWBZ-UHFFFAOYSA-N 279.727 0.850 10 10 CCCE Nc1ccc(CS(=O)(=O)NCCN2CCCO2)cc1 2225724556 NFQHDCCADOESFG-UHFFFAOYSA-N 285.369 0.326 10 10 CCCE COc1ccc(N2CC[C@H]3C[C@H]2[C@H](O)[C@H]3O)c(CN)c1 2235974749 YXLGMCNMEWGCPK-BCZWGYKPSA-N 278.352 0.474 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CNC[C@@H](F)C1 2226274693 RUIUHVNSGJGVMG-UWVGGRQHSA-N 268.288 0.457 10 10 CCCE COCC(COC)S(=O)(=O)Nc1ccc(O)c(N)c1 2227845510 WNMJCOUKSKXIRW-UHFFFAOYSA-N 290.341 0.378 10 10 CCCE COc1ccc(N(C)[C@H]2CS(=O)(=O)C[C@@H]2O)cc1 2253410020 OONCYPXCVZVZMC-RYUDHWBXSA-N 271.338 0.289 10 10 CCCE CSc1ncc(CNC(=O)[C@@H]2CC[C@@H](CN)O2)s1 2257026578 NBNDGTPUABNASL-CBAPKCEASA-N 287.410 0.988 10 10 CCCE CSc1ncc(CNC(=O)[C@@]23CO[C@@H](C2)[C@@H](N)C3)s1 2269088764 VGDGVWRSYBHPBH-HOTUBEGUSA-N 299.421 0.988 10 10 CCCE CN1CCC(N(C)C(=O)c2cc(O)c(O)c(O)c2)CC1 586735418 LNSICPMBUPNZFL-UHFFFAOYSA-N 280.324 0.970 10 10 CCCE Cc1cc(CO)ccc1N1C[C@@H](O)[C@@H](O)[C@@H]1CF 2311995253 GLPWKJWUXITJQV-XQQFMLRXSA-N 255.289 0.367 10 10 CCCE CCN(CCN=[N+]=[N-])C(=O)C1CCS(=O)(=O)CC1 2315990087 WSDHZKRZRGDHSY-UHFFFAOYSA-N 274.346 0.970 10 10 CCCE CCO[C@H]1CS(=O)(=O)C[C@H]1N(CC)CCN=[N+]=[N-] 2315988921 MHPAAIUZBYRMHT-ZJUUUORDSA-N 276.362 0.821 10 10 CCCE CN(Cc1ccccc1O)[C@@]1(C(=O)O)CC[C@H]1N 2323717798 RONLBGPZUNALNX-YPMHNXCESA-N 250.298 0.769 10 10 CCCE COC[C@H]1[C@@H](O)[C@@H](O)CN1c1ccc(OC)c(Cl)c1 2333695457 MBRHGXUTFCXLBT-GMXVVIOVSA-N 287.743 0.905 10 10 CCCE C[C@@H]1CC[C@@H](C(N)=O)CN1CC(=O)Nc1ccc(N)cc1 42427069 VGOJAUOZPXXOEH-GHMZBOCLSA-N 290.367 0.793 10 10 CCCE COC[C@H](O)CN(C)C(=O)Cc1ccc(N)cc1 42482400 VXQGGOWJOPKINK-GFCCVEGCSA-N 252.314 0.277 10 10 CCCE Nc1ccc(O)c(CNS(=O)(=O)CC2CC2)c1 86496541 FRKNXRUXZINBDH-UHFFFAOYSA-N 256.327 0.804 10 10 CCCE CCOC(=O)CS(=O)(=O)Nc1ccc(O)cc1N 233699391 SRZBECNTYROVGM-UHFFFAOYSA-N 274.298 0.279 10 10 CCCE CN(C(=O)Cc1ccc(O)c(O)c1)[C@@H]1CCS(=O)(=O)C1 244541702 ZYYUIWKSBGPZCS-SNVBAGLBSA-N 299.348 0.286 10 10 CCCE N[C@H](Cc1c(Br)cc(F)c(O)c1O)C(=O)O 258634907 UMFZMUYDTPIOMO-ZCFIWIBFSA-N 294.076 0.954 10 10 CCCE CN(CCC(N)=O)c1ccc(/C=C\C(=O)O)cc1C#N 381924934 PFENEXVZBZAIIP-HYXAFXHYSA-N 273.292 0.968 10 10 CCCE CO[C@@H]1C[C@@H](O)CN(c2ccc3c(c2)NC(=O)[C@H]3N)C1 2165323098 PDVVGJIBUXELSS-BREBYQMCSA-N 277.324 0.225 10 10 CCCE CO[C@@H]1C[C@@H](O)CN(c2ccc3c(c2)NC(=O)[C@H]3O)C1 2165328035 WETINGIHOOMOEB-BREBYQMCSA-N 278.308 0.258 10 10 CCCE CO[C@@](C)(CO)CNC(=O)/C=C\c1ccc(O)c(O)c1 848264726 FPSNWWRTYIUFBD-KXQLTZBTSA-N 281.308 0.625 10 10 CCCE Cn1cnc(S(=O)(=O)N2Cc3cccc(O)c3C2)c1 867690933 OBVQFHCXNOLXNI-UHFFFAOYSA-N 279.321 0.830 10 10 CCCE CN(Cc1cc2c(cc1O)OCO2)[C@H]1C[C@@H](C(N)=O)C1 863321928 ISOHZORLFQYGEW-WAAGHKOSSA-N 278.308 0.817 10 10 CCCE COC1=C(C(=O)O)NC(=S)N[C@H]1c1ccccc1O 76259987 LRCWNBXTQFVGQT-QMMMGPOBSA-N 280.305 0.854 10 10 CCCE COC1(C(=O)NCc2cc(N)ccc2O)CCOCC1 700905279 PGMDELLJROHEHA-UHFFFAOYSA-N 280.324 0.786 10 10 CCCE N[C@H](C(=O)NC[C@@H]1CCCO1)c1ccc(O)c(O)c1 83483758 OYLBJTWVDQWVBS-CABZTGNLSA-N 266.297 0.393 10 10 CCCE N[C@H](c1nnc([C@H](O)CC(=O)O)o1)c1ccccc1O 83588115 WTZWOWINPBQKGQ-SCZZXKLOSA-N 279.252 0.331 10 10 CCCE NC(=O)CN(Cc1ccc(N)cc1)S(=O)(=O)C1CC1 80935368 GDPJQCUXYNMIEB-UHFFFAOYSA-N 283.353 0.048 10 10 CCCE CN(C)C[C@@]1(O)CCN(C(=O)Cc2ccc(N)cc2)C1 713687794 IASGGXGLKKBVPH-HNNXBMFYSA-N 277.368 0.336 10 10 CCCE CCCn1cc([C@@H](NCCN=[N+]=[N-])C(=O)OC)nn1 714448573 IUMDTNBWJBXBCE-SECBINFHSA-N 267.293 0.802 10 10 CCCE C[C@H](c1cc(O)ccc1O)N1CCN(CC(=O)O)CC1 86730944 OFWPHNBQPINKHX-SNVBAGLBSA-N 280.324 0.861 10 10 CCCE C[C@H](N)c1ccc(N2C[C@H](O)C[C@@H]2CO)c(F)c1 698229317 QSRWYDNCFQJZGH-JMJZKYOTSA-N 254.305 0.777 10 10 CCCE [N-]=[N+]=N[C@@H]1CCC[C@H]1NC(=O)CN1CCOCC1 2218741709 BCFNVYXICPBGDB-NXEZZACHSA-N 253.306 0.666 10 10 CCCE CN[C@@H]1CCc2cc(N3C[C@@H](O)C[C@@H]3CO)ccc21 2128295798 OVTFXYSHUSOQDQ-VNHYZAJKSA-N 262.353 0.825 10 10 CCCE Cc1cc(N2CCN3CCOC[C@@H]3C2)ccc1CN 2129377675 HDSWSAJFDYDMFA-HNNXBMFYSA-N 261.369 0.975 10 10 CCCE Cc1cccc(O)c1CNC1CN([C@@H](C)C(=O)O)C1 2131773231 IKHNOIFNFSMRMG-JTQLQIEISA-N 264.325 0.948 10 10 CCCE CONC(=O)CNC(=O)N[C@@H](C)c1cc(OC)ccc1O 1251349950 JXGHOHBFKYVVKN-QMMMGPOBSA-N 297.311 0.439 10 10 CCCE O=C(N[C@H]1CC[C@H](CO)C1)c1cc(O)c(O)c(O)c1 2132348898 VFSCVIMIPFEUAN-CBAPKCEASA-N 267.281 0.694 10 10 CCCE C[C@H]1CCOC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2132407737 RCPGMEWXZGGMHM-IONNQARKSA-N 267.281 0.958 10 10 CCCE N[C@@H]1CC[S@@](=O)(=NC(=O)c2cc(O)c(O)c(O)c2)C1 2132412958 IXBGKJRUZBBKPB-XJZHNMMOSA-N 286.309 0.143 10 10 CCCE CCn1cnc([C@H](NCCCN=[N+]=[N-])C(N)=O)c1 1912204600 BFEMCFHMVLNNER-VIFPVBQESA-N 251.294 0.719 10 10 CCCE [N-]=[N+]=NCC1CCN(C(=O)Cn2cnnn2)CC1 1912207867 YTLBRQNNFQDCEO-UHFFFAOYSA-N 250.266 0.222 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3CCC[C@@H](O)C3)ccc21 218454566 RZNHSTXPRPBHRS-MFKMUULPSA-N 261.325 0.860 10 10 CCCE O=[N+]([O-])c1cc2c(cc1N(CCO)CCO)OCCO2 1917255299 OEJHIVVXARTKKE-UHFFFAOYSA-N 284.268 0.157 10 10 CCCE NC(=O)c1cc(C(=O)NCc2cc(O)ccc2O)c[nH]1 1455357125 OBOHIBKDAPIDAN-UHFFFAOYSA-N 275.264 0.455 10 10 CCCE COc1ccc([C@@H](CN)N2CCN(C)CC2)c(O)c1 32048243 MEGMSBBFCNFBPQ-CYBMUJFWSA-N 265.357 0.648 10 10 CCCE NC(=O)N=Nc1ccc(C(=O)N2CC[C@H](C(N)=O)C2)cc1 1627366170 PUOVNHGVOAQXPG-VIFPVBQESA-N 289.295 0.796 10 10 CCCE COC(=O)c1n[nH]cc1NC(=O)Cc1ccc(O)c(O)c1 1567757491 XPOCYUDUYAVKNW-UHFFFAOYSA-N 291.263 0.789 10 10 CCCE C[C@@H](C(=O)NCc1ccc(O)cc1O)N1C(=O)CCC1=O 1643100647 FIWZFFKRRGCOGG-QMMMGPOBSA-N 292.291 0.252 10 10 CCCE O=C(NC[C@@H]1[C@H]2CCNC[C@@H]21)c1cc(O)nc(O)c1 2138561052 PNVHLOICBWXZFG-LPEHRKFASA-N 263.297 0.078 10 10 CCCE O=C(O)[C@@H]1CCCN(C(=O)c2cc(O)nc(O)c2)C1 19487227 MBBKAZXGDZZJCT-SSDOTTSWSA-N 266.253 0.430 10 10 CCCE COc1cc(C)cc(CN2C[C@@H](C)O[C@@H](C(N)=O)C2)c1O 164498791 ZXIHLMNVEKSWKW-ZWNOBZJWSA-N 294.351 0.784 10 10 CCCE OCc1cc(F)c(N2C[C@H](O)[C@H](O)[C@@H]2CF)c(F)c1 2140664009 PZFUOVZYIFQXHI-JBLDHEPKSA-N 277.242 0.337 10 10 CCCE CC(C)NC(=O)[C@H]1COCCN1Cc1cc(N)ccc1O 159423950 XZDWSUZCHLNYKG-CYBMUJFWSA-N 293.367 0.700 10 10 CCCE Cc1ccc(Cl)cc1N1NC(=O)[C@@H](CCN)C1=O 106668147 JJCQAUJKWYDPFS-SECBINFHSA-N 267.716 0.991 10 10 CCCE Nc1ccc(N2C[C@H]3CS(=O)(=O)C[C@H]3C2)cc1 1940673883 QEEDTYHFSGCSMJ-AOOOYVTPSA-N 252.339 0.750 10 10 CCCE O=S1(=O)CC[C@@H](NCc2ccc(O)c(O)c2)C1 19899804 HZISLVIMOSOKDD-SECBINFHSA-N 257.311 0.375 10 10 CCCE COCCCOC(=O)c1nnn(-c2ccc(N)cc2)n1 1857879226 ZINCDWMJEBFLEE-UHFFFAOYSA-N 277.284 0.438 10 10 CCCE Oc1ccc(-c2noc(C3(O)CCNCC3)n2)cc1O 236579338 GXAZPODPNAOFIE-UHFFFAOYSA-N 277.280 0.719 10 10 CCCE C[C@H](N)[C@H](C)NS(=O)(=O)CCOc1ccc(N)cc1 1876407879 BMJMEKISWGTBLK-UWVGGRQHSA-N 287.385 0.303 10 10 CCCE C[C@]1(NC(=O)CCOc2ccc(N)cc2)CCNC1 1876429757 MSPWIKJGHOSZEW-AWEZNQCLSA-N 263.341 0.906 10 10 CCCE Nc1cc2c(cc1N1C[C@H]3NCC[C@@H]3C1)OCCO2 1876599796 GFTMIPZYNRNVEK-MWLCHTKSSA-N 261.325 0.838 10 10 CCCE COc1cccc(O)c1CN1CCC[C@](O)(C(=O)O)C1 1964722466 ZCZZRAOQDJKLHL-CQSZACIVSA-N 281.308 0.812 10 10 CCCE Nc1ccc(CN2C[C@@H]3OC[C@H](C(=O)O)[C@@H]3C2)cc1 1891506524 LOVWQZBDUPLECF-AVGNSLFASA-N 262.309 0.800 10 10 CCCE COC[C@@]1(O)CCN(c2ccc(CO)cc2[N+](=O)[O-])C1 1970168066 NYSVGMHMBWGKMY-CYBMUJFWSA-N 282.296 0.675 10 10 CCCE CN(CC(CO)CO)C(=O)CCOc1ccc(N)cc1 2150413943 AXZGULZQNUPJEM-UHFFFAOYSA-N 282.340 0.097 10 10 CCCE CCO[C@@H]1CN(C(=O)c2cccc(O)c2O)CC[C@H]1N 2146768961 XHOLUCANXRQOCR-ZYHUDNBSSA-N 280.324 0.676 10 10 CCCE Nc1ccc(OCC(=O)OC[C@H]2C[C@@H](CO)CO2)cc1 2155596037 CBRYILNYSPPBOO-GXFFZTMASA-N 281.308 0.588 10 10 CCCE N[C@H](Cc1ccc(O)c(O)c1)C(=O)OC[C@H]1CCCO1 48637439 HMALJYTUZRAAPS-GHMZBOCLSA-N 281.308 0.690 10 10 CCCE Cc1cccc(CNS(=O)(=O)N2CCC2)c1O 2024804899 MPPYNAQNSREHGU-UHFFFAOYSA-N 256.327 0.741 10 10 CCCE Cc1cccc(CNS(=O)(=O)CCON)c1O 2024811558 LHNDRRKRAAYAHR-UHFFFAOYSA-N 260.315 0.010 10 10 CCCE C[C@H](N[C@H]1CN(C)C[C@@H]1O)c1cc(F)ccc1O 2029869668 HLDXMIGCJQAVNY-QWRKXWFKSA-N 254.305 0.857 10 10 CCCE CO[C@@H]1COCC[C@@]1(O)[C@@H](N)c1ccccc1O 2031155120 UQIWVSWLGSCEIP-AGIUHOORSA-N 253.298 0.558 10 10 CCCE CN(CCN)CC(=O)N(C)Cc1ccccc1O 2035456666 MDUGQDFIJURVHC-UHFFFAOYSA-N 251.330 0.241 10 10 CCCE CN(C)CCNS(=O)(=O)CCOc1ccc(N)cc1 70490463 UJUUQAQPNRKZSQ-UHFFFAOYSA-N 287.385 0.129 10 10 CCCE COC(=O)NCCNCc1cccc(OC)c1O 308251153 HMVIOCIDJUSZTA-UHFFFAOYSA-N 254.286 0.846 10 10 CCCE Cc1cc(N2CCN3C[C@H](O)C[C@@H]3C2)ccc1CN 405271603 SBHGJMNYUSOJPM-HUUCEWRRSA-N 261.369 0.709 10 10 CCCE NCc1ccc(N2C[C@H](O)[C@@H](CO)C2)cc1Cl 316458101 HBTDQGVIRLJLMB-SKDRFNHKSA-N 256.733 0.588 10 10 CCCE Nc1ccc(OCC(=O)N2CC(F)(F)C[C@@H]2CO)cc1 2159053029 XIPKVJBRCAHWGE-SNVBAGLBSA-N 286.278 0.876 10 10 CCCE O=C(O)[C@]12COC[C@H]1CN(Cc1ccc(O)cc1O)C2 2160983601 XIZFMWNQBWZBKI-QMTHXVAHSA-N 279.292 0.631 10 10 CCCE Nc1ccc(-n2ccc(C(=O)N[C@@H]3CC[C@@H]3O)n2)cc1 2161384401 JJIYSTICSQHXNQ-YPMHNXCESA-N 272.308 0.708 10 10 CCCE CN(C(=O)CN1CC[C@@H]2[C@H](O)C[C@H]21)c1ccc(N)cc1 2178160384 NYNWLWYFETYRQL-BFHYXJOUSA-N 275.352 0.687 10 10 CCCE CN(CCCOc1ccc(N)cc1)[C@H]1COC[C@H]1O 709385835 OSROZLOXLWWSMM-UONOGXRCSA-N 266.341 0.729 10 10 CCCE CCn1cc([C@@](C)(NCCN=[N+]=[N-])C(=O)O)nn1 714981091 NIUAVARYOLRTFP-SECBINFHSA-N 253.266 0.498 10 10 CCCE Cc1cc(N2CCC(CO)(CO)C2)ccc1CN 694680827 IWQVZHVJERUNGZ-UHFFFAOYSA-N 250.342 0.635 10 10 CCCE CC[C@@H](CO)N(C)CC(=O)Nc1ccc(N)cc1 386036970 CXMJOOPEXBWDFS-LBPRGKRZSA-N 251.330 0.910 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CCC[C@](O)(C(=O)O)C1 386471792 PBBMNKSWZWOKBN-CYBMUJFWSA-N 281.264 0.150 10 10 CCCE COc1cccc(CNC[C@H]2CC(=O)N(C)C2)c1O 723534435 AHHQJQDZKMEXIR-SNVBAGLBSA-N 264.325 0.969 10 10 CCCE C[C@@]1(CO)COCCN1C(=O)CCc1ccc(N)cc1 2169064569 UIUSZMKIWXFDLD-OAHLLOKOSA-N 278.352 0.811 10 10 CCCE CC1(C)[C@@H](O)C[C@]1(CO)NC(=O)Nc1ccc(N)cc1 2193972920 DHTJTWUGRIZATE-SMDDNHRTSA-N 279.340 0.912 10 10 CCCE NCc1cc(F)c(N2[C@H]3CC[C@H]2[C@@H](O)[C@@H](O)C3)c(F)c1 2190462508 WHBFXFJUWZHEIF-NVPWMLRNSA-N 284.306 0.886 10 10 CCCE COc1ccc(N2CCNC[C@@H]2C(=O)O)c(F)c1 2044289549 OIOUSWRDPCDPTN-LLVKDONJSA-N 254.261 0.697 10 10 CCCE COC[C@H](CCO)Nc1c(N)cccc1C(=O)O 2046431486 AQAZGWATYLEURK-QMMMGPOBSA-N 254.286 0.776 10 10 CCCE C[C@@H]1CCOCC[C@@]1(NCCCN=[N+]=[N-])C(N)=O 2046712137 XNXUIXDADINEIE-KOLCDFICSA-N 255.322 0.947 10 10 CCCE CN(Cc1ccccc1O)C(=O)CC[C@@H](O)CN 2047731711 MLBHHAUGMWAAQO-LLVKDONJSA-N 252.314 0.450 10 10 CCCE C[C@@H](NCCCNC(N)=O)c1cc(O)ccc1O 2048907566 YHNJNSRINGWLJE-MRVPVSSYSA-N 253.302 0.807 10 10 CCCE Nc1ccc(CCC(=O)N2CCn3nncc3C2)cc1 2186622686 BHAALMNPUBGLKS-UHFFFAOYSA-N 271.324 0.835 10 10 CCCE OC[C@@H]1C[C@H]1CNCc1cc2c(cc1O)OCO2 2053967929 VOUVGNMZXZRKNA-WPRPVWTQSA-N 251.282 0.839 10 10 CCCE NCc1ccc(N2CCC[C@H]2[C@@H](O)CO)cc1F 2059280788 RZYFIRGOIOZBME-STQMWFEESA-N 254.305 0.606 10 10 CCCE CC1(C)O[C@@H](c2ccc(O)c(O)c2)N[C@H]1C(=O)O 2067727773 CEYIKYWJRMPMQQ-UWVGGRQHSA-N 253.254 0.948 10 10 CCCE Nc1ccc(CCCN2CC[C@@H](O)[C@@H](O)C2)cc1 2068371075 UDZSUCNUTAIQKJ-KGLIPLIRSA-N 250.342 0.629 10 10 CCCE CC[C@@H](O)CN(C)C(=O)c1cc(O)c(O)c(O)c1 2068576743 KNAJNGITZHUSPK-MRVPVSSYSA-N 255.270 0.646 10 10 CCCE COC[C@](C)(CO)CNC(=O)c1cc(O)c(O)c(O)c1 2188867491 BLPDBGSUSDYRFH-ZDUSSCGKSA-N 285.296 0.178 10 10 CCCE NCC[C@H]1CSCCN1C(=O)c1cc(O)c(O)c(O)c1 2188922132 GHSKDIZZJMANHD-VIFPVBQESA-N 298.364 0.710 10 10 CCCE CC(=O)N[C@@H](CN(C)c1ccc(CN)cc1)C(=O)O 2106406881 WDCXMQMPYWXTDK-LBPRGKRZSA-N 265.313 0.171 10 10 CCCE O=C(NC[C@H](O)c1cnc[nH]1)c1ccc(O)c(O)c1 2088642650 ZYNCMFNYROVLOO-NSHDSACASA-N 263.253 0.284 10 10 CCCE NN[C@H](c1ccccc1O)[C@H]1CCn2ncnc2C1 2108977683 BFYWVKPLMHLGFW-ZANVPECISA-N 259.313 0.751 10 10 CCCE NC(=O)[C@H]1CCN1c1ccc(C=CC(=O)O)cc1F 2089363834 WZWUUBMSFFOXTH-LLVKDONJSA-N 264.256 0.988 10 10 CCCE CN1CCC[C@H]([C@H](O)Cc2ccc(N)cc2)S1(=O)=O 2089528770 VRXABGJQLCBWHT-CHWSQXEVSA-N 284.381 0.596 10 10 CCCE COCCNCc1ccc(N2CC(CO)C2)c(F)c1 2092548214 NIJDDMPKXKXPDQ-UHFFFAOYSA-N 268.332 0.990 10 10 CCCE Nc1ccc(CC(=O)NC[C@H]2C[C@H](O)CCO2)cc1 2097939770 XUFHUAPDYYJMOQ-CHWSQXEVSA-N 264.325 0.467 10 10 CCCE C[C@@]1(CO)COCCN1C(=O)Cc1ccc(N)cc1 2112752768 UEDGTHPKVTYUDE-CQSZACIVSA-N 264.325 0.421 10 10 CCCE NC[C@@]12CC[C@@H]1CN(C(=O)Cc1ccc(O)c(O)c1)C2 2201354798 GMJAYCNSTLAVTK-IAQYHMDHSA-N 276.336 0.838 10 10 CCCE CO[C@@H]1CN(Cc2ccc3c(c2)CCN3C)C[C@H]1N 2122652189 LLEUEALYYCOYLU-UKRRQHHQSA-N 261.369 0.837 10 10 CCCE COc1cc(N2C[C@@H]3C[C@H](C2)[C@@H](O)[C@@H]3O)ccc1CN 2204545760 SXZMYIBEHDWDKT-BAESOJJISA-N 278.352 0.332 10 10 CCCE Cc1cccc(CNC(=O)c2cc(CN)nn2C)c1O 2204623620 RVADMUHQNYIABV-UHFFFAOYSA-N 274.324 0.823 10 10 CCCE C[C@@H]1C[C@@]1(F)C(=O)N(CC(N)=O)Cc1ccc(N)cc1 2206333726 HGVIIJIWHJFJTC-OTYXRUKQSA-N 279.315 0.831 10 10 CCCE O=C(N[C@H]1COC2(CCC2)[C@H]1O)c1ccc(O)c(O)c1 2206470397 GPJNLVSCGKTCSZ-CABZTGNLSA-N 279.292 0.510 10 10 CCCE N[C@H]1CCCc2cc(N3CC[C@@H]3[C@H](O)CO)ccc21 2270694954 LEQSPTBTBBTOTF-RRFJBIMHSA-N 262.353 0.955 10 10 CCCE COc1ccc(N2C[C@@H](O)C[C@H](O)C2)c(OC)c1 2219643053 MZCICILUSFQFFK-UWVGGRQHSA-N 253.298 0.636 10 10 CCCE C[C@H]1[C@@H](O)CCN1C(=O)[C@H]1CNc2ccccc2N1 2273245090 SLCKJNKIKAVASY-BIMULSAOSA-N 261.325 0.874 10 10 CCCE CN[C@@H](C(N)=O)[C@H](C)Oc1ccc(N(C)C)cc1 2221876830 WFMRNWUQRMWMDU-JOYOIKCWSA-N 251.330 0.593 10 10 CCCE COc1cc(N2CCO[C@@H]3C[C@H](O)C[C@H]32)ccc1CN 2234437063 HAVNAHMQJHQDND-UMVBOHGHSA-N 278.352 0.882 10 10 CCCE C[C@@H](O)c1ccc(N2CCN3C(=O)COC[C@@H]3C2)cc1 2236930227 BISVZPZKHVBJDH-RISCZKNCSA-N 276.336 0.787 10 10 CCCE CN[C@H]1COC[C@H]1C(=O)NCc1cnc(SC)s1 2257026643 NPZUGRGQQDQIEE-BDAKNGLRSA-N 287.410 0.716 10 10 CCCE CO[C@H](C)[C@@H](N)C(=O)NCc1cnc(SC)s1 2248614126 XKQDCZBLBSQHOM-HTRCEHHLSA-N 275.399 0.843 10 10 CCCE CO[C@@H]1[C@H](O)C[C@H]1N[C@H](C)c1cc(O)ccc1O 2258673487 LRAGMPFLYWYGLU-SDTWEEQHSA-N 253.298 0.897 10 10 CCCE NCc1ccc(N2C[C@@H]3OC[C@H](CO)O[C@@H]3C2)cc1 2265027199 RXDLNUVVPGPRNY-MELADBBJSA-N 264.325 0.110 10 10 CCCE OC[C@@H]1CO[C@H]2CN(c3ccc4c(c3)CCO4)C[C@@H]2O1 2279769850 IGAISCODJSVPTH-SNPRPXQTSA-N 277.320 0.586 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)[C@@H]1C[C@H]2NCC[C@H]21 2286361375 YMDLILHQILBFJN-QJPTWQEYSA-N 276.336 0.755 10 10 CCCE COc1cc(OC)c(N2C[C@@H](O)[C@@H](CO)C2)cc1OC 2289449241 YBXHZMATQFSNKF-MWLCHTKSSA-N 283.324 0.502 10 10 CCCE CC[C@@H](O)C(=O)N1CCc2cc(O)c(O)cc2C1 2318662508 WPNYSYVCSMCIOD-SNVBAGLBSA-N 251.282 0.753 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3CC[C@@H]4C[C@]4(O)C3)ccc21 2330189493 RTEUVSHEBAEISI-RGZBUGHASA-N 259.309 0.600 10 10 CCCE COc1ccc(N2C[C@@H]3C[C@H]2[C@H](O)[C@@H]3O)c(F)c1F 2333695790 XSQIPTMRSHOVJG-FIBLKZNMSA-N 271.263 0.904 10 10 CCCE CNCc1ccc(N2C[C@@H]3[C@H](C2)CS3(=O)=O)c(C)c1 2336336701 WQRPSZTUINUGOK-TZMCWYRMSA-N 280.393 0.948 10 10 CCCE CNCCOCCN1CCc2cc(O)c(O)cc2C1 2341214250 KBQULCGRUQBXOM-UHFFFAOYSA-N 266.341 0.692 10 10 CCCE CC1(C)[C@@H](N)CCN1C(=O)COc1ccc(N)cc1 2352396788 RDLGQMYWOOIZEJ-LBPRGKRZSA-N 263.341 0.986 10 10 CCCE COC(=O)C1(O)CN(c2ccc(CN)c(SC)c2)C1 2353853925 KIOXUIWZVFINEM-UHFFFAOYSA-N 282.365 0.591 10 10 CCCE O=C(N[C@H]1C[C@H]2CC[C@]1(CO)C2)c1cc(O)nc(O)c1 2354526122 JEDDHNYUXIRRDB-IPURGOFSSA-N 278.308 0.774 10 10 CCCE Nc1ccc(NC(=O)N2C[C@H]3C[C@H](O)[C@@H](O)[C@@H]2C3)cc1 2355354137 HFUWIQUFRAEQGR-YJRXYDGGSA-N 277.324 0.617 10 10 CCCE COc1ccc(N2CCN(CC[C@](C)(N)CO)CC2)cc1 70339702 YUMLUZOATFDCLK-INIZCTEOSA-N 293.411 0.917 10 10 CCCE COC[C@@H](O)CNC(=O)CCc1ccc(N)cc1 71263502 RRUABGUFGRIJQE-LBPRGKRZSA-N 252.314 0.325 10 10 CCCE C[C@H]1CC[C@@H](C(N)=O)CN1c1ccc2c(c1)NC(=O)[C@@H]2N 42429249 SKKMLEWENYRNOV-IGJMFERPSA-N 288.351 0.729 10 10 CCCE CCOC(=O)CCNCc1ccc(O)c(O)c1O 83408786 CMQKOZDWDHQZLP-UHFFFAOYSA-N 255.270 0.846 10 10 CCCE O=C(NC[C@H]1COCCO1)c1ccc(O)c(O)c1 227019860 ZXHZOCYGDXRPIM-VIFPVBQESA-N 253.254 0.243 10 10 CCCE CN1CC[C@@H](N(C)C(=O)c2ccc(O)c(O)c2)C1 385288776 OCMBHFKPKRGVHO-SNVBAGLBSA-N 250.298 0.874 10 10 CCCE C[C@H]1OCC[C@@H]1S(=O)(=O)NCc1ccccc1O 276024613 LBBITGDPYZNANO-SKDRFNHKSA-N 271.338 0.989 10 10 CCCE CCCN(CC(N)=O)c1ccc2c(c1)N(C)C(=O)[C@H]2N 723167560 QUUNRVNMUCFSFJ-ZDUSSCGKSA-N 276.340 0.365 10 10 CCCE COc1cc(C(=O)N[C@@H]2CNC(C)(C)C2)cc(OC)n1 2166942001 FCMMIVONMIFZLF-JTQLQIEISA-N 279.340 0.969 10 10 CCCE Nc1ccc(NC(=O)CN2C[C@@H]3CC[C@H](C2)C3O)cc1 2167790907 BWRWNCQQUPZVQA-YWXMQNBFSA-N 275.352 0.910 10 10 CCCE C[C@@H]1CN(C(=O)c2cccc(O)c2O)[C@H](C)CN1CCO 841456071 CSRXYTCHRQHRKS-GHMZBOCLSA-N 294.351 0.625 10 10 CCCE C[C@@]1(CO)C[C@H](O)CN1C(=O)CCc1ccc(N)cc1 698172618 QBBXFJMFIIPEAB-ZFWWWQNUSA-N 278.352 0.546 10 10 CCCE NC(=O)C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)CCO1 862534451 CBAYNFWZFKJBMB-SNVBAGLBSA-N 294.307 0.197 10 10 CCCE CCO[C@@H](C(=O)OCC(=O)C(C)=O)C1CCOCC1 869874890 FMCUTXNEXOANEQ-GFCCVEGCSA-N 272.297 0.519 10 10 CCCE Oc1cc2c(c(O)c1O)CCN[C@H]2c1ncccn1 75819173 LCXVCPTZTCBWSS-SNVBAGLBSA-N 259.265 0.829 10 10 CCCE COCCNC(=O)CN1CCNc2cc(OC)ccc21 76926764 BUFNWNJQAKVKDE-UHFFFAOYSA-N 279.340 0.690 10 10 CCCE Cc1cccc([C@H](N)c2nnc([C@@H](O)CO)o2)c1O 83480996 OCDQEQVMMWLFHO-IUCAKERBSA-N 265.269 0.157 10 10 CCCE CC(C)(CO)c1nnc([C@@H](N)c2cccc(O)c2O)o1 83588895 NKGSBJLGBBRRLF-VIFPVBQESA-N 279.296 0.799 10 10 CCCE C[C@H](O)c1ccc(N2C[C@@H](O)C[C@H]2CO)cc1O 704640521 IVEWIRKDIXVBSY-LSJOCFKGSA-N 253.298 0.377 10 10 CCCE Nc1cc2c(cc1N1CC3(CCCO3)C1)NC(=O)CO2 705669973 APXFCUHQACMRLX-UHFFFAOYSA-N 275.308 0.969 10 10 CCCE O=C(N[C@H]1COCCC1=O)c1ccc(O)c(O)c1 717222818 KIIPVMLSDZSWGK-QMMMGPOBSA-N 251.238 0.186 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1C[C@H]2C[C@@]2(C(=O)O)C1 693272189 DUGPKKFJMSFJTH-AMIZOPFISA-N 263.249 0.645 10 10 CCCE CNCc1ccc(N2C[C@H](O)C[C@@H]2CO)cc1C 698175616 QNCOLVITHLLROV-ZIAGYGMSSA-N 250.342 0.646 10 10 CCCE Nc1ccc(CCC(=O)N[C@@H]2C=CS(=O)(=O)C2)cc1 88852741 YWAICPNIWRMWPM-GFCCVEGCSA-N 280.349 0.628 10 10 CCCE CN1CCN(c2ccc(CO)cc2F)[C@H](CO)C1 699536671 KUFXZTZZLMSRAF-NSHDSACASA-N 254.305 0.431 10 10 CCCE CN1C(=O)O[C@@H]2CN(Cc3cc(N)ccc3O)C[C@H]21 2120396649 CAJGPTMTNPNSCG-ZYHUDNBSSA-N 263.297 0.609 10 10 CCCE C[C@H]1CNC(=O)CN1c1ccc(CO)cc1[N+](=O)[O-] 2124758457 HGKZCLOKYDMVCO-QMMMGPOBSA-N 265.269 0.412 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3C[C@@H]4C[C@H]4[C@H]3CO)ccc21 1905554404 BQOCDGXBYOSXOK-RZOYXHMNSA-N 259.309 0.456 10 10 CCCE CC[C@H](C)[C@H](N)CNC(=O)c1cc(O)c(O)c(O)c1 2132417091 BGTFPGLKBBHPOM-IONNQARKSA-N 268.313 0.907 10 10 CCCE COc1cc(N)c(N2CCn3cnnc3C2)cc1OC 214198383 WRUGVDSHOIGIPW-UHFFFAOYSA-N 275.312 0.898 10 10 CCCE COC(=O)[C@]1(NCCN=[N+]=[N-])[C@H](C)[C@H]2OCC[C@@H]21 1912155888 JQSOMCYJZRATGE-LOKLDPHHSA-N 254.290 0.853 10 10 CCCE Cn1ncc(Cl)c1S(=O)(=O)N1CC(N=[N+]=[N-])C1 1912155321 PPCIZRIZWDVCRB-UHFFFAOYSA-N 276.709 0.757 10 10 CCCE CN(CC(=O)N1CC[C@H](N=[N+]=[N-])C1)c1ncccn1 1912169510 LMQRKVGJVRGLGD-VIFPVBQESA-N 261.289 0.824 10 10 CCCE COc1ccc(N2CCNC[C@@H]2CC(=O)O)cc1 214567724 SODXSTUPVXBRMD-NSHDSACASA-N 250.298 0.948 10 10 CCCE C[C@H]1CN[C@H](CCO)CN1c1ccc2c(c1)OCO2 217086898 CWDVYDACHDITKV-WDEREUQCSA-N 264.325 0.964 10 10 CCCE N[C@@H]1CCN(c2nnc(-c3cccc(O)c3O)[nH]2)C1 227282527 KPFPQGHLPCWMFW-SSDOTTSWSA-N 261.285 0.420 10 10 CCCE NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CNC(=O)C2)cc1 1629960761 TVHZGQXEXAEWQD-MRVPVSSYSA-N 289.295 0.715 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CN[C@@H]2CCC[C@@H]12 1926032374 ZAVUVPAMJSPDOZ-IJLUTSLNSA-N 276.336 0.897 10 10 CCCE O=CC1=S=C(C(=O)Nc2ccnc3ccnn23)C=C1 1634303240 ZWEUVCLSQMCRDM-UHFFFAOYSA-N 272.289 0.515 10 10 CCCE O=C([C@@H]1CNc2ccccc2N1)N1CC[C@@H](CO)C1 229883879 IIZDNGWGTYGWSX-MFKMUULPSA-N 261.325 0.733 10 10 CCCE COC(=O)[C@@H]1CC[C@@H]1C(=O)NCc1c(O)cccc1O 1647289853 KJYSRNDBFSVQCJ-DTWKUNHWSA-N 279.292 0.913 10 10 CCCE C[C@H](C(=O)O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 157175734 JCGQNLIZJVRHQJ-XKSSXDPKSA-N 296.323 0.193 10 10 CCCE CN(C(=O)COc1ccc(N)cc1)[C@H]1CCOC1 157870396 BGNIJGOQZRCTGF-NSHDSACASA-N 250.298 0.895 10 10 CCCE COc1cc(C)c(N(C)C[C@H](N)CN)cc1OC 259037588 PCOTZRJWJCEUNI-SNVBAGLBSA-N 253.346 0.734 10 10 CCCE O=C(O)C[C@]1(O)CCN(c2ccc3c(c2)OCO3)C1 259062626 AZASEZHECMQAGY-CYBMUJFWSA-N 265.265 0.831 10 10 CCCE COc1ccc(N2CCN[C@H](CN)C2)c(OC)c1 259248300 MEGRSPFLBXZKLB-SNVBAGLBSA-N 251.330 0.441 10 10 CCCE C[C@@H]1CNC[C@@H](C)N1C(=O)COc1ccc(N)cc1 1876455125 BAESDHIULBDYJE-GHMZBOCLSA-N 263.341 0.856 10 10 CCCE Nc1ccc(-n2ccc(C(=O)N[C@H]3C[C@H]3N)n2)cc1 1876519023 ITDSRPQBTSFDTC-PWSUYJOCSA-N 257.297 0.284 10 10 CCCE C[C@H]1CN[C@H](C(=O)N(C)Cc2ccccc2O)CN1 1877518159 RALJJUMFUIKJDM-JQWIXIFHSA-N 263.341 0.301 10 10 CCCE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)N1CC(N=[N+]=[N-])C1 1885562509 HDPUMVSRNTYZNA-CBAPKCEASA-N 299.331 0.782 10 10 CCCE NC(=O)CO[C@@H]1CCCN(c2ccc(CO)cc2F)C1 2145383101 RUQDAMHEDLFYND-LLVKDONJSA-N 282.315 0.789 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3CCCNC(=O)CC3)ccc21 2145346732 OUKPRGYXTUWWQA-CYBMUJFWSA-N 274.324 0.355 10 10 CCCE NC[C@H](C(=O)C(=O)C[C@H]1C[C@H](N)C1)C(F)(F)F 2003167091 LNWFKRLVSMGVPR-FSDSQADBSA-N 252.236 0.389 10 10 CCCE COCC1(O)CCN(C(=O)c2ccc(O)c(O)c2)CC1 2151737956 GVWCILODQJXIGF-UHFFFAOYSA-N 281.308 0.711 10 10 CCCE C[C@@H]1CO[C@H](CO)CN1C(=O)Nc1ccc(N)cc1 168143282 VNYGOCHGUJCDDV-SKDRFNHKSA-N 265.313 0.882 10 10 CCCE Nc1cc2c(cc1N1C[C@H]3C[C@@]1(CO)CO3)OCCO2 2150996169 MVVUWOATSUJERR-YMTOWFKASA-N 278.308 0.380 10 10 CCCE CCOC(=O)c1cc([C@@H](N)CO)c(O)cc1OC 260176013 DVEKHWMIMCWPNJ-VIFPVBQESA-N 255.270 0.570 10 10 CCCE O=C(N[C@@H]1CN[C@@]2(CCOC2)C1)c1cccc(O)c1O 2154516188 CFJFPWSJJGBBNA-XPTSAGLGSA-N 278.308 0.349 10 10 CCCE CN(C)C(=O)C1(NC(=O)COc2ccc(N)cc2)CC1 2159817237 WFMYGZNHYYDLHX-UHFFFAOYSA-N 277.324 0.385 10 10 CCCE CS(=O)(=O)CNC(=O)N1CCC[C@H]1CN=[N+]=[N-] 2024079672 QOQJMAMBYVCWOI-ZETCQYMHSA-N 261.307 0.473 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@H]1OCC[C@H]1C(=O)O 2157021443 HERRDLBPRKFDSJ-PWSUYJOCSA-N 279.292 0.840 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)[C@@H]1NC[C@H]2CC[C@@H]21 2157121004 RKIZLBYEQLBIFB-UHIISALHSA-N 276.336 0.755 10 10 CCCE NC(=O)[C@H]1CCN1c1ccc(CO)cc1[N+](=O)[O-] 2028928960 BEKHNTDNUOQKER-SECBINFHSA-N 251.242 0.151 10 10 CCCE C[C@H](N[C@@H]1COC[C@@H]1CO)c1ccc(O)cc1O 2029844335 MFDWXRJYRVFWAI-HOTUBEGUSA-N 253.298 0.756 10 10 CCCE CN1CCOC[C@@H]1C(=O)N1CCC[C@H](N=[N+]=[N-])C1 2038243642 VMJUGBKOGJSMEL-VHSXEESVSA-N 253.306 0.618 10 10 CCCE CNCc1ccc(N2CC[C@H](N3CC(O)C3)C2)cc1C 2158750475 FRHJINDBDIXKFN-HNNXBMFYSA-N 275.396 0.970 10 10 CCCE COC(=O)[C@H](c1c(O)cccc1OC)N1CCNCC1 2160722601 HARGSTSJGBFPSV-ZDUSSCGKSA-N 280.324 0.520 10 10 CCCE CO[C@@](C)(CO)CNC(=O)c1ccc(O)c(O)c1 702530660 CPENZTZASWWXIB-GFCCVEGCSA-N 255.270 0.225 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1C[C@H]2CC[C@H]2C1 688318532 FKRBBRHUSPKFME-TUAOUCFPSA-N 276.336 0.836 10 10 CCCE Nc1ccc(NC(=O)NCC2CS(=O)(=O)C2)cc1 706490323 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CCCE COC(=O)[C@@]1(NCCCN=[N+]=[N-])CCNC(=O)C1 2042110557 ZHBKLKDICVCOGS-SNVBAGLBSA-N 255.278 0.098 10 10 CCCE CO[C@H]1CN[C@H](CNC(=O)COc2ccc(N)cc2)C1 2191663757 MRWAPSKNPSCXJT-WCQYABFASA-N 279.340 0.141 10 10 CCCE C[C@@H]1[C@H]2CNC[C@@H]2CN1S(=O)(=O)Cc1ccc(N)cc1 2191762130 YQUHMSUBCSQSAB-MPKXVKKWSA-N 295.408 0.638 10 10 CCCE CN(Cc1ccc(N)cc1)S(=O)(=O)c1cn(C)[nH]c1=N 2191768223 HBRSYNJJMNDOFR-UHFFFAOYSA-N 295.368 0.236 10 10 CCCE Nc1ccc(OCC(=O)N[C@@H]2C[C@@H]3CNC[C@@H]3C2)cc1 2191761096 LMLWQRKJTZHJCT-PTEHBNRSSA-N 275.352 0.762 10 10 CCCE NC(=O)[C@H]1OCC[C@@H]1NCc1c(O)cccc1F 2053777807 RVSQJZPBYLDJMT-ONGXEEELSA-N 254.261 0.264 10 10 CCCE [N-]=[N+]=N[C@@H]1CCN(C(=O)[C@H]2CCc3nncn3C2)C1 2103650821 XLRDKXGECDYSBP-DTWKUNHWSA-N 261.289 0.752 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@H]2[C@@H]3CCO[C@@H]32)cc1 2056364275 XWIPEPNFZPINJP-TUAOUCFPSA-N 268.338 0.476 10 10 CCCE Cc1cc(N2CCC[C@@H]2[C@H](O)CO)ccc1CO 2059216972 NWBNFIREVHUQIJ-ZIAGYGMSSA-N 251.326 0.809 10 10 CCCE C[C@H](NC(=O)[C@@H]1CN2CCN1CC2)c1ccccc1O 2192618457 VVQQTIVLJZMAMZ-AAEUAGOBSA-N 275.352 0.569 10 10 CCCE Oc1ccc(Cl)cc1CN1C[C@@H](O)CC12CNC2 2066537453 KMDSMBGOHWGJKT-NSHDSACASA-N 268.744 0.954 10 10 CCCE NC1CC(CNC(=O)c2cc(O)c(O)c(O)c2)C1 2068625248 WTQNEERAHFFERG-UHFFFAOYSA-N 252.270 0.271 10 10 CCCE CCN[C@@H](C)CNS(=O)(=O)Cc1ccc(N)cc1 2071665342 HFLAUWLZPZDJCU-JTQLQIEISA-N 271.386 0.686 10 10 CCCE Nc1ccc(NC(=O)CCN2CC[C@@H](O)[C@H](O)C2)cc1 2188623627 OBUXWCWCFAHWIK-CHWSQXEVSA-N 279.340 0.025 10 10 CCCE Cc1cc(CO)ccc1N1CC[C@](C)(O)[C@H](O)C1 2077297507 XYHBRYNLCYQVPU-KGLIPLIRSA-N 251.326 0.809 10 10 CCCE Oc1ccc(CN[C@H]2CCc3nncn3C2)cc1O 2103720650 MGOWPIWGKCKKCU-JTQLQIEISA-N 260.297 0.794 10 10 CCCE Cc1cccc(CNS(=O)(=O)CC2CNC2)c1O 2084062702 HVZUKHMVTLAQEX-UHFFFAOYSA-N 270.354 0.339 10 10 CCCE CN1CCc2cc([C@@H](NN)c3c[nH][nH]c3=N)ccc21 2106853283 PCZCOOXBZBMMCJ-GFCCVEGCSA-N 258.329 0.367 10 10 CCCE N=c1cc(C(=O)Nc2ccc(O)cc2C(=O)O)[nH][nH]1 2087523606 PDCAPEWYTIQGHG-UHFFFAOYSA-N 262.225 0.478 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC(N3CCC3)C2)cc1 2095927110 HYGHRMQJGZPQIB-UHFFFAOYSA-N 281.381 0.489 10 10 CCCE C[C@@H](NC1CC(NC(N)=O)C1)c1c(O)cccc1O 2096549646 OBUOUOIUUIBLCH-AFPNSQJFSA-N 265.313 0.948 10 10 CCCE [N-]=[N+]=NCCN1CC(S(=O)(=O)C(F)(F)F)C1 2211920075 FIFDELNQSLZROA-UHFFFAOYSA-N 258.225 0.916 10 10 CCCE COc1ccc(N2C[C@H](CO)OCC23CC3)c(CN)c1 2235976591 HTKXSBFMPGOOHF-CYBMUJFWSA-N 278.352 0.884 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H](F)C[C@@H](O)C1 2226294468 ZOQBUSYSQQUWJQ-JGVFFNPUSA-N 271.244 0.348 10 10 CCCE N[C@H]1C[C@@H](F)CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2226284558 RFMMAGAUHXTQMT-SFYZADRCSA-N 270.260 0.315 10 10 CCCE COc1ccc(N2CCOC[C@]2(C)CO)c(CN)c1 2227682682 ITWHWMNMHXXTHU-AWEZNQCLSA-N 266.341 0.742 10 10 CCCE CNCc1ccc(N2CC3(CCC(=O)N3)C2)cc1OC 2238020380 HQWDPRPBEZXYGQ-UHFFFAOYSA-N 275.352 0.883 10 10 CCCE NCc1cc(F)c(N2CC3(CCC(=O)N3)C2)c(F)c1 2229692229 UFFBIKYIDSJCPP-UHFFFAOYSA-N 267.279 0.892 10 10 CCCE COc1ccc(N2CCNC[C@@H]2C(=O)O)c(OC)c1C 2295431536 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10 10 CCCE CN(C(=O)CN1CCCC[C@@H]1C(N)=O)c1ccc(N)cc1 42403942 YWGVMTJMORBRLR-CYBMUJFWSA-N 290.367 0.571 10 10 CCCE O=C(N[C@@H]1c2ccccc2C[C@H]1O)c1cc(O)nc(O)c1 42189834 NJGFQJKDQOSWPG-BXUZGUMPSA-N 286.287 0.881 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CC(O)(C(F)(F)F)C1 1953118850 KRVAVKWGDHPYCS-UHFFFAOYSA-N 291.225 0.776 10 10 CCCE CC[C@H](C)[C@@H](NC[C@@H]1SC(=S)NC1=O)C(=O)O 248234626 BRQIDRQAOKOKTP-LYFYHCNISA-N 276.383 0.592 10 10 CCCE Nc1cc2c(cc1N1CC([C@@H](F)CO)C1)CCC(=O)N2 2166909801 RDEWXQZKTYLXRA-JTQLQIEISA-N 279.315 0.920 10 10 CCCE CCN(CC(=O)NC)c1ccc2c(c1)NC(=O)[C@H]2N 723188991 JIZDMHOQKOCBIM-LBPRGKRZSA-N 262.313 0.211 10 10 CCCE COC(=O)[C@@H]1CN(C)C[C@H]1c1cccc(O)c1O 725393914 RSKANKGXMJHJBI-VHSXEESVSA-N 251.282 0.916 10 10 CCCE C[C@@H]1CN(CC2=C[C@@H](O)[C@@H](N)C2)c2cccnc2O1 2131468201 DPNXAHQQJYHOFT-SUZMYJTESA-N 261.325 0.687 10 10 CCCE COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CN(C)C(=O)N2)c1 830541446 YBGDEHAOJUMZAZ-LDYMZIIASA-N 293.323 0.602 10 10 CCCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CC(N)=O 839919468 RCQASEAVYYBNFW-LLVKDONJSA-N 277.368 0.984 10 10 CCCE O=C1Nc2cc(N3CC[C@@H]4COC[C@@H]43)ccc2[C@H]1O 1899113549 UAFLTQCSGYZFCZ-OXHMUOHRSA-N 260.293 0.897 10 10 CCCE COc1cc(N)c(N2C[C@@H](O)C[C@]2(C)CO)cc1OC 698173050 IUFPJDARZPTCBY-LKFCYVNXSA-N 282.340 0.608 10 10 CCCE CN(C(=O)c1cc(O)nc(O)c1)[C@H]1C[C@@H](C(=O)O)C1 693037938 PWMHTRADNJBXGC-OCAPTIKFSA-N 266.253 0.428 10 10 CCCE COCCOC(=O)[C@@H](C)N1CCOc2cc(CN)ccc21 74338397 RZMLJDJKIPXEAC-LLVKDONJSA-N 294.351 0.922 10 10 CCCE CO[C@H]1CN(C(=O)c2cccc(O)c2O)[C@@](C)(CO)C1 870525895 LSYWYCJZEHMYNZ-YMTOWFKASA-N 281.308 0.710 10 10 CCCE COCC(COC)(NCCCN=[N+]=[N-])C(=O)OC 702600517 BTHNBHBWWJCNQY-UHFFFAOYSA-N 260.294 0.481 10 10 CCCE O=C1[C@@H](NCc2cccc(O)c2O)CCN1C1CC1 708727018 WRBRERRNKXVIMM-NSHDSACASA-N 262.309 0.951 10 10 CCCE NC(=O)N=Nc1ccc(C(=O)N2C[C@@H](O)C[C@@H](O)C2)cc1 1149241834 QGZIJKRKJQNLCT-PHIMTYICSA-N 292.295 0.417 10 10 CCCE CN1CC[C@H](N(C)CCOc2ccc(N)cc2)C1=O 690280634 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10 10 CCCE CCOC(=O)[C@H](N)CNCc1cnc(SC)s1 2248686256 MNOQHYNDJPQLHR-MRVPVSSYSA-N 275.399 0.845 10 10 CCCE O=C(NCc1ccc(O)cc1O)c1cccn2nnnc12 1469160178 PJXUQBJAPIEIFP-UHFFFAOYSA-N 285.263 0.466 10 10 CCCE COc1ccc(N2C[C@@H](C)CNC(=O)[C@H]2CO)cc1 217098094 GIISFZVAMDTZLM-GXFFZTMASA-N 264.325 0.628 10 10 CCCE O=C(NCc1ccc(O)c(O)c1)c1cccn2nnnc12 1465954278 OJVGGXSNJSHIIV-UHFFFAOYSA-N 285.263 0.466 10 10 CCCE O=C(N[C@H]1CCCS(=O)(=O)C1)c1ccc(O)c(O)c1 227028522 SJQPRKZKZFHYTH-VIFPVBQESA-N 285.321 0.405 10 10 CCCE NC(=O)c1ccc(C(=O)NCc2c(O)cccc2O)nc1 1645360810 KISZSDBPUYHWMX-UHFFFAOYSA-N 287.275 0.522 10 10 CCCE CN1C[C@H](O)C[C@]1(C)C(=O)NCc1cc(O)ccc1O 1651225822 ZPIKVUMGACKPRC-BXUZGUMPSA-N 280.324 0.169 10 10 CCCE O=C(Cn1nnc(C(F)(F)F)n1)c1ccc(O)c(O)c1 1652205579 JIABFGHUBKKDFK-UHFFFAOYSA-N 288.185 0.986 10 10 CCCE COc1cc(N2C[C@@H](O)[C@H](O)C2(C)C)ccc1CN 2139684699 BEKAFXWSCVYEAZ-YPMHNXCESA-N 266.341 0.474 10 10 CCCE COCCNCc1ccc(N2CCOC[C@H]2CO)c(F)c1 168313789 FAVQDCFVUBGRLD-CYBMUJFWSA-N 298.358 0.759 10 10 CCCE NC(=O)c1[nH]cnc1NCc1ccc(O)c(O)c1O 106284922 FFVNJHTXWRKXSQ-UHFFFAOYSA-N 264.241 0.238 10 10 CCCE COc1ccc(N2C[C@@H](C)NC[C@@H]2CO)c(OC)c1 251769130 UYNPBMYDJNVUCO-GHMZBOCLSA-N 266.341 0.863 10 10 CCCE C[C@@](O)(CO)CNCc1ccc2c(c1)CCCO2 922080552 DWRQJYZQJZGDLB-AWEZNQCLSA-N 251.326 0.845 10 10 CCCE CS(=O)(=O)[C@H]1COC[C@@H]1NCc1ccc(F)cc1O 2142469655 ASVDOFWQSMVVOY-JQWIXIFHSA-N 289.328 0.433 10 10 CCCE COc1ccc(N2CCC(O)(CCN)CC2)c(N)c1 1876398592 BRLFAEMFKWZBPT-UHFFFAOYSA-N 265.357 0.958 10 10 CCCE CO[C@@H]1C[C@@H](CN)N(C(=O)Cc2ccc(N)cc2)C1 1876479836 LGWVVUUCDDKUSF-QWHCGFSZSA-N 263.341 0.386 10 10 CCCE CCc1cc([C@@H](NCCCN=[N+]=[N-])C(N)=O)n(C)n1 1877145962 IOKDVWADUPALIF-SNVBAGLBSA-N 265.321 0.799 10 10 CCCE C[C@H]1CCS(=O)(=O)N1CC(=O)N(C)c1ccc(N)cc1 2143573931 VGSWKUIEYQQYOS-JTQLQIEISA-N 297.380 0.656 10 10 CCCE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CC(N=[N+]=[N-])C1 1890412251 JULIFYMTZWDBBN-VIFPVBQESA-N 299.331 0.783 10 10 CCCE COC[C@@H](O)CN(C)c1ccc2c(c1)OCCO2 1971334635 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CCNC(=O)[C@H](C)NC(=O)COc1ccc(N)cc1 40304600 GNYUQLMUICKMEC-VIFPVBQESA-N 265.313 0.288 10 10 CCCE O=C(NC[C@H]1CC2(CCC2)CN1)c1cc(O)nc(O)c1 2151520073 DWKMFIQRVGXXAB-SNVBAGLBSA-N 277.324 0.755 10 10 CCCE [N-]=[N+]=NCCCN[C@]1(C(N)=O)CCCO[C@]12CCOC2 2155116737 SWCBJJZPOZHPOS-RYUDHWBXSA-N 283.332 0.470 10 10 CCCE COc1cc(N2CC(=O)NC(=O)C2)cc(OC)c1OC 49876538 ZEVHHSYJGVUMRO-UHFFFAOYSA-N 280.280 0.175 10 10 CCCE O=C(N[C@H]1CCNC[C@@H]1F)c1ccc(O)c(O)c1 2029908921 KBGHRZUYBCXLPG-IUCAKERBSA-N 254.261 0.528 10 10 CCCE OCCC[C@@H](CO)NCc1ccc2c(c1)CCO2 2029928852 WJMYMSLAMCHJJP-ZDUSSCGKSA-N 251.326 0.845 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CC[C@@H]3CO)c(Cl)cc21 2031691248 LCZKIIONJKAJTK-KBUNVGBDSA-N 267.716 0.863 10 10 CCCE Nc1ccc(NC(=O)CCN2CCNC(=O)CC2)cc1 62099709 VPCIBHRKKAOXEF-UHFFFAOYSA-N 276.340 0.419 10 10 CCCE C[C@H]1CN(C(=O)c2ccc(O)c(O)c2)[C@@H]1C(=O)O 2038181144 NDVAFYRFBQDUJQ-WKEGUHRASA-N 251.238 0.643 10 10 CCCE NC(=O)CSCCC(=O)NCCc1ccc(N)cc1 701026730 PKJRJZDZOFOQGI-UHFFFAOYSA-N 281.381 0.536 10 10 CCCE NC(=O)CSCCC(=O)NCc1ccccc1O 701141190 GMNYQNYKDSJRSB-UHFFFAOYSA-N 268.338 0.617 10 10 CCCE NCc1ccc(N2CC[C@](O)(CO)C2)c(Cl)c1 313650638 DQKRKVDNADTCFH-GFCCVEGCSA-N 256.733 0.732 10 10 CCCE Nc1ccc(CS(=O)(=O)NC[C@@H](O)C2CCC2)cc1 316184087 NGYOTEAYJPZLIE-CYBMUJFWSA-N 284.381 0.849 10 10 CCCE Cc1nc(O)nc(O)c1CCC(=O)NCCCN=[N+]=[N-] 701286259 JYGGSDABJPTJMV-UHFFFAOYSA-N 280.288 0.945 10 10 CCCE COCCNC(=O)CCNCc1c(O)cccc1OC 2160700825 INMLJRRHADSFSV-UHFFFAOYSA-N 282.340 0.643 10 10 CCCE C[C@@]1(C(=O)O)CN(C(=O)Cc2ccc(N)cc2)CCO1 711541830 LUJYEAXXIWVNOJ-AWEZNQCLSA-N 278.308 0.513 10 10 CCCE Cc1cc(CNS(=O)(=O)Cc2ccc(N)cc2)n(C)n1 390497320 NGGPNIRYOVHIGK-UHFFFAOYSA-N 294.380 0.930 10 10 CCCE O=C(N[C@H]1CO[C@@]2(CCOC2)C1)c1cccc(O)c1O 2178989372 MUWKPINPSUXGPV-OTYXRUKQSA-N 279.292 0.776 10 10 CCCE CNC(=O)c1cn(Cc2cc(F)ccc2O)nc1O 2070622616 USHDOWZGCCWOLQ-UHFFFAOYSA-N 265.244 0.841 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N3CC4(CC[C@@H]4O)C3)cc21 2179704651 VOCZPQLFQOTUMR-STQMWFEESA-N 273.336 0.624 10 10 CCCE Nc1ccc(OC[C@@H](O)CN2CC3(CC[C@@H]3O)C2)cc1 2179703590 MODCGENYPGGDNN-JSGCOSHPSA-N 278.352 0.465 10 10 CCCE CCN(c1ccc([C@H](C)O)c(O)c1)[C@@H]1CC(=O)NC1=O 2171194898 FJNDHVSLVQBHDB-GZMMTYOYSA-N 278.308 0.687 10 10 CCCE CN(CCN(C)S(C)(=O)=O)c1ccc2c(c1)CC[C@H]2O 2184731283 GJDQZPYTXNFZFC-CQSZACIVSA-N 298.408 0.994 10 10 CCCE O=C(CN1C[C@H]2C[C@@H](O)C[C@H]2C1)c1ccc(O)c(O)c1 2185130363 QPHIVVAYMGYXIC-ZSBIGDGJSA-N 277.320 0.983 10 10 CCCE Nc1ccc(NC(=O)N[C@@H]2C[C@H](O)C[C@H]2O)cc1 2046482162 FYEBWGUVSXNYPV-HBNTYKKESA-N 251.286 0.275 10 10 CCCE [N-]=[N+]=NC1CN(C[C@H](O)CN2CCCCC2=O)C1 2050538003 KJXVMMVJZLBXHP-JTQLQIEISA-N 253.306 0.354 10 10 CCCE CN(C[C@H]1[C@@H]2CS(=O)(=O)C[C@H]12)c1ccc(N)cc1 2054273594 RYKAAKYADOCSFX-XYYAHUGASA-N 266.366 0.996 10 10 CCCE NC[C@H]1CCCCN1c1cc2c(cc1N)OCC(=O)N2 2191593650 BCNRPKUSCQSQMD-SECBINFHSA-N 276.340 0.917 10 10 CCCE N[C@H]1CCN(Cc2ccc(O)c(O)c2)C[C@H]1CO 2058543720 UNQMPBPDULNGHA-QWRGUYRKSA-N 252.314 0.239 10 10 CCCE C[C@H](O)[C@@H]1C[C@H]1NC(=O)Cc1ccc(O)c(O)c1 2061858786 PTDNFOGFQLYKKY-UJNFCWOMSA-N 251.282 0.526 10 10 CCCE CN(Cc1ccccc1O)C(=O)C1(O)CC(N)C1 2064277867 ZLERTNZPIYVFAS-UHFFFAOYSA-N 250.298 0.203 10 10 CCCE O=C(NC[C@@H]1CCCN1)c1cc(O)c(O)c(O)c1 2068615292 NOANEWLQIPMZJC-QMMMGPOBSA-N 252.270 0.285 10 10 CCCE NC[C@H]1C[C@H](CNC(=O)c2cccc(O)c2O)CO1 2102873962 WBLXNGWGYPFKAO-RKDXNWHRSA-N 266.297 0.191 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC1[C@H]2CC[C@H]12 2103734858 SXKIHOGUQUOEFT-GUBZILKMSA-N 262.309 0.492 10 10 CCCE C[C@@H](CNC(=O)c1ccc(O)c(O)c1)[C@H](F)C(=O)O 2105541217 NYAFAAUINYJEEE-WKEGUHRASA-N 271.244 0.886 10 10 CCCE Oc1ccnc(CCNCc2cccc(O)c2O)n1 2106920228 XRHFPZANZFDFKD-UHFFFAOYSA-N 261.281 0.926 10 10 CCCE CN(Cc1ccccc1O)C(=O)c1ncc[nH]c1=O 2110849372 FVIVGPUPKHXKDO-UHFFFAOYSA-N 259.265 0.748 10 10 CCCE CO[C@@]1(Cn2ccc3c(c2=O)CNCC3)CCOC1 2094404226 HSTBMKQFOKZGNM-CQSZACIVSA-N 264.325 0.300 10 10 CCCE O=C(NC[C@H]1CCCO1)c1cc(O)c(O)c(O)c1 586736575 AURPEOAAOKFEIJ-MRVPVSSYSA-N 253.254 0.712 10 10 CCCE C[C@](O)(CO)[C@@H]1CCN(C(=O)c2ccc(O)c(O)c2)C1 2202843504 QSCBKMMYCQGKGK-YGRLFVJLSA-N 281.308 0.303 10 10 CCCE CS(=O)(=O)CS(=O)(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-] 2213593022 VRMOGHSPEIDJGH-RNFRBKRXSA-N 282.347 0.139 10 10 CCCE COC(=O)NCC1CN(c2ccc(CN)c(OC)c2)C1 2204550827 YHKQPMJAEJGPPF-UHFFFAOYSA-N 279.340 0.946 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCN([C@H]2CC(CO)(CO)C[C@H]2O)C1 2206389104 AWIFEVXSKBHHJZ-SDDRHHMPSA-N 284.360 0.503 10 10 CCCE C[C@H]1O[C@H](C)C(=O)N(CCOc2ccc(N)cc2)C1=O 2207334313 OFCUOSJOVUDAFE-NXEZZACHSA-N 278.308 0.810 10 10 CCCE COc1ccc(N2C[C@H](O)[C@H](O)[C@H]2CO)cc1Cl 2219762899 RQPUNRQVWNKPTL-JFGNBEQYSA-N 273.716 0.251 10 10 CCCE COc1ccc(N(C)[C@@H]2COC[C@H]2O)c(CO)c1 2220425576 AMUUNFCUTDIEAJ-CHWSQXEVSA-N 253.298 0.383 10 10 CCCE COc1cc(N2CCO[C@H](CO)C2)cc(OC)c1OC 2235138318 KDMJWHDHCUVSNY-NSHDSACASA-N 283.324 0.910 10 10 CCCE CNCc1cc(OC)ccc1N1CC(OC)(C(N)=O)C1 2235960008 SVPISHLSZIJHFU-UHFFFAOYSA-N 279.340 0.105 10 10 CCCE CNCc1cc(OC)ccc1N1C[C@H](O)C[C@]1(C)CO 2235958015 IKRJRLCDPSQTGK-IUODEOHRSA-N 280.368 0.737 10 10 CCCE CNCc1cc(OC)ccc1N1CC(NC(N)=O)C1 2227676880 XESNMZGLUSBQFN-UHFFFAOYSA-N 264.329 0.272 10 10 CCCE COc1ccc(N(C)[C@@H]2CC(=O)N(C)C2)c(CN)c1 2227674355 BDXRJONYHLXNHO-LLVKDONJSA-N 263.341 0.821 10 10 CCCE CO[C@H]1[C@@H](NC(=O)CCc2ccc(N)cc2)C[C@H]1O 2271169782 KLTAEHFXXBMTDP-SCRDCRAPSA-N 264.325 0.466 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3C[C@H]4COC[C@H]3C4)ccc21 2271348671 QWABNCNVGQDLGU-IYYTYJHQSA-N 259.309 0.864 10 10 CCCE CN(C)c1ccc([C@H](O)[C@@H]2CO[C@H]3CNC[C@@H]3O2)cc1 2279876988 HMBWUFNKQHJUDY-AJNGGQMLSA-N 278.352 0.542 10 10 CCCE CN(C)c1ccc(CNC(=O)c2cn[nH]c(=N)c2)cc1 2289667864 HSGNBFWGWGRVKO-UHFFFAOYSA-N 271.324 0.885 10 10 CCCE CCCNC(=O)CN(C)Cc1cc(N)ccc1O 42517289 HINUHXKXWYBDSK-UHFFFAOYSA-N 251.330 0.932 10 10 CCCE NC(=O)NCCNCc1cc(Br)ccc1O 236235321 WFANYMNHWPRKFD-UHFFFAOYSA-N 288.145 0.913 10 10 CCCE Nc1ccc(OCC(=O)NCC2CC(O)C2)cc1 91416058 CWYGJEQORLNYFU-UHFFFAOYSA-N 250.298 0.535 10 10 CCCE CC(=O)C(=O)COC(=O)[C@@H]1CCCN1C(=O)C(C)(C)C 808502371 GJWHPMHLDPCPJJ-JTQLQIEISA-N 283.324 0.725 10 10 CCCE COc1ccc(N2CCOC[C@@]3(COCCN3)C2)cc1 2162630459 IWNAZMIAJBIGGV-HNNXBMFYSA-N 278.352 0.890 10 10 CCCE NCc1ccc2c(c1)CCCN2CC1CS(=O)(=O)C1 722776616 ONIUHRDAHORTIA-UHFFFAOYSA-N 280.393 0.943 10 10 CCCE CCOc1ccc(N2CCN[C@@H]3CS(=O)(=O)C[C@H]32)cc1 2162669610 XCJOYSHJAGBDDR-ZIAGYGMSSA-N 296.392 0.661 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)[C@@H]2CCn3ncnc3C2)C1 2165278837 YBQOFOZAOCZWBJ-VHSXEESVSA-N 275.316 0.999 10 10 CCCE C[C@]12CN(c3ccc4c(c3)NC(=O)[C@@H]4O)C[C@]1(CO)C2 2165492926 XFHYXGYFUIXHME-SNPRPXQTSA-N 274.320 0.881 10 10 CCCE CN[C@@H](c1ccc(N(C)C)cc1)[C@@]1(O)CCS(=O)(=O)C1 2163127377 OHUACKBJKGPROT-UONOGXRCSA-N 298.408 0.563 10 10 CCCE [N-]=[N+]=NCCCN[C@@H](C(=O)O)c1cn2c(n1)COCC2 2166155461 MKZNVTPERYINBF-SNVBAGLBSA-N 280.288 0.829 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N(C)[C@@H](C)C(N)=O)c(Cl)cc21 723183486 RYDZTLBAIORSBO-UPONEAKYSA-N 296.758 0.863 10 10 CCCE C[C@H](NC(=O)CNC(N)=O)c1ccc(N(C)C)cc1 773991413 ATCAGGGCHKPGNC-VIFPVBQESA-N 264.329 0.598 10 10 CCCE COCCNC(=O)[C@@H](N)c1cccc(OC)c1O 83398269 WMSLPLDKBZTLOZ-JTQLQIEISA-N 254.286 0.163 10 10 CCCE Nc1ccc(CCC(=O)N[C@@H]2CCOC[C@@H]2O)cc1 706753396 DZHZYINYAZBAHJ-OLZOCXBDSA-N 264.325 0.467 10 10 CCCE C[C@H]1CN(c2ccc3c(c2)NC(=O)[C@H]3O)CCS1(=O)=O 707382352 XOGLXDFCHTUTEQ-UFBFGSQYSA-N 296.348 0.295 10 10 CCCE C[C@H]1CN(C(=O)c2cc(O)nc(O)c2)C[C@@H]1CO 708634889 ZAEMRQAKYRHUHD-IONNQARKSA-N 252.270 0.193 10 10 CCCE CC1(CNCc2cc3c(cc2O)OCO3)OCCO1 716885777 BJWUZVPPYIXUNU-UHFFFAOYSA-N 267.281 0.974 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CCS[C@@H](CO)C1 720030787 DTOVVMMWJAGRGM-SECBINFHSA-N 269.322 0.648 10 10 CCCE COc1ccc(O)c([C@H](C)N[C@H](C)[C@H](O)CO)c1 699010195 YBLIJVYNLMGHPA-IGJMFERPSA-N 255.314 0.793 10 10 CCCE COCC[C@@]1(NC(=O)Cc2ccc(O)c(O)c2)CCOC1 1155797653 IRIJHERYNUETHJ-OAHLLOKOSA-N 295.335 0.952 10 10 CCCE C[C@@H]1C[C@H](CO)CCN1C(=O)c1cc(O)nc(O)c1 2115840928 CJEWPLGJAKEOGU-RKDXNWHRSA-N 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CCNCc1ccc(N2CC[C@@H]2[C@H](O)CO)c(F)c1 2270703006 FACVIKRDAPLLRO-ZIAGYGMSSA-N 268.332 0.867 10 10 CCCE C[C@@H]1CCN1C(=O)N(CC(N)=O)Cc1ccc(N)cc1 2279979841 RKMPWCPCBLAUSA-SNVBAGLBSA-N 276.340 0.770 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3CC[C@@]4(O)C[C@H]4C3)ccc21 2280028955 XGOZFQYTOMYDGE-DYQSUWPFSA-N 273.336 0.860 10 10 CCCE CN(C)c1ccc(CNCc2noc(C(N)=O)n2)cc1 2285846132 KQLZBNZCSSOLFH-UHFFFAOYSA-N 275.312 0.524 10 10 CCCE C[C@@H]1C(=O)NCCCN1C(=O)C=Cc1ccc(O)c(O)c1 2311330417 NPIRMSYIXIIJOW-SNVBAGLBSA-N 290.319 0.848 10 10 CCCE CN[C@@H](C)c1ccc(N2CC[C@@H](O)[C@@H](O)C2)cc1O 2331777618 ZZKREAVRLKAFPY-BHYNMZESSA-N 266.341 0.605 10 10 CCCE CNCc1ccc(N2[C@H]3CC[C@@H]2C[C@@H](O)[C@H]3O)cc1 2331967175 QSTKYFRVEMGQES-BARDWOONSA-N 262.353 0.869 10 10 CCCE CN1C(=O)[C@@H](O)c2ccc(N3C[C@@H]4CCO[C@@H]4C3)cc21 2355205895 VPBVRFOIKNFKLW-FZZIBODNSA-N 274.320 0.922 10 10 CCCE Oc1ccc(F)cc1CNC[C@@H]1C[C@@H]2C[C@H]1[C@@H](O)[C@H]2O 2355467429 PRQSHNNUBODCSP-OEHKJAOLSA-N 281.327 0.999 10 10 CCCE NC[C@H]1[C@@H]2C[C@@H]2CN1C(=O)CCOc1ccc(N)cc1 2357558296 DAUGPDUCQIFSNW-HONMWMINSA-N 275.352 0.843 10 10 CCCE C[C@H](NC(=O)c1cccc(O)c1O)[C@H](C)C(=O)O 126084757 SLOBHIVFSOXFON-BQBZGAKWSA-N 253.254 0.937 10 10 CCCE CN(C)c1ccc([C@@H](Cc2cnn(C)n2)NN)cc1 311704015 MNVCBUHPMVROJF-CYBMUJFWSA-N 260.345 0.628 10 10 CCCE CCOc1cccc(CNC[C@H](O)COC)c1O 71269758 GWULCHRPJYQPFH-NSHDSACASA-N 255.314 0.888 10 10 CCCE CN(C)S(=O)(=O)N(C)CCc1ccc(N)cc1 384109991 DEAQNCFQVIHCAD-UHFFFAOYSA-N 257.359 0.550 10 10 CCCE N[C@@H](CO)c1cc2c(c(Br)c1O)OCCO2 258470868 HVXSSVAXJKPYPP-LURJTMIESA-N 290.113 0.918 10 10 CCCE CCN1CC[C@@H](NC(=O)NCc2ccccc2O)C1=O 801798376 VSGKAHSGTRUFDQ-LLVKDONJSA-N 277.324 0.812 10 10 CCCE CN1CCCc2cc([C@H](NN)c3ncnn3C)ccc21 2163107801 UKYYIDCYMXIGLM-ZDUSSCGKSA-N 272.356 0.750 10 10 CCCE CN1CCO[C@H]([C@H](NN)c2ccc3c(c2)CCN3C)C1 2163135644 LTDUMZHMZTUWLE-LSDHHAIUSA-N 276.384 0.514 10 10 CCCE CN1CCc2cc([C@H](O)[C@H]3CN4CCN3CC4)ccc21 2163061308 HETRNWXQWUWVJX-CVEARBPZSA-N 273.380 0.712 10 10 CCCE COc1cccc(O)c1CN1CCO[C@@H]([C@@H](C)O)C1 840978024 OSWMRDYYZHMXQO-QMTHXVAHSA-N 267.325 0.982 10 10 CCCE CCN(OC)C(=O)CNCc1cc2c(cc1O)OCO2 842769228 KIQHYUSEJOHIEL-UHFFFAOYSA-N 282.296 0.620 10 10 CCCE CN1CCC(OCC(=O)NCc2ccc(N)cc2)CC1 927767494 FAZPACNLNHFSQC-UHFFFAOYSA-N 277.368 0.996 10 10 CCCE Cc1ccc(C(=O)NC[C@@H]2CCC(=O)N2)c(O)c1O 855932935 UTBQQEGMQVWKBL-QMMMGPOBSA-N 264.281 0.415 10 10 CCCE CC(=O)c1ccc(O)c(CN2CC(O)(CCO)C2)c1 2270655945 KAGPOHLVJNKGHB-UHFFFAOYSA-N 265.309 0.524 10 10 CCCE C[C@@]1(CO)C[C@@H](O)CN1c1ccc(CN)c(F)c1 698194773 ASLFZKCYYGGAPZ-YPMHNXCESA-N 254.305 0.606 10 10 CCCE CN(C)c1ccc(CNC(=O)C2CS(=O)(=O)C2)cc1 864576060 VLYNEVJQTHEEHB-UHFFFAOYSA-N 282.365 0.413 10 10 CCCE CCOC(=O)c1nnn(CCOc2ccc(N)cc2)c1N 62430710 XFRQZLCRVWCJLI-UHFFFAOYSA-N 291.311 0.698 10 10 CCCE COC(=O)[C@@H]1C[C@@H]1CNC(=O)c1cccc(O)c1O 899675294 XPQSSUDXSXZMFV-VXNVDRBHSA-N 265.265 0.637 10 10 CCCE C[C@H](O)c1ccc(N2C[C@@H]3C[C@H](C2)[C@@H](O)[C@H]3O)cc1 2126158050 KJSVHLAIHWRAEX-AMFXNCCOSA-N 263.337 0.918 10 10 CCCE CN1CCN(c2ccc3c(c2)CC[C@@H]3N)C[C@H]1CO 2128319044 PEYLAHDIZALSBK-ZFWWWQNUSA-N 261.369 0.745 10 10 CCCE C[C@@H](CO)CS(=O)(=O)NCCc1ccc(O)c(O)c1 2127130906 SSHPGWLVRNTYBH-VIFPVBQESA-N 289.353 0.188 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H]2C[C@@H]2[C@@H]1CO 1905738943 UDSCTANKDYIFLX-CIUDSAMLSA-N 265.265 0.256 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H]2[C@H](CO)[C@@H]2C1 2132348271 HUZUBOFPNCTXOA-AYMMMOKOSA-N 265.265 0.114 10 10 CCCE O=C(C[C@@H]1CCNC1=O)NCc1ccc(O)cc1O 1354072035 NJCAITRTBGDMSI-QMMMGPOBSA-N 264.281 0.240 10 10 CCCE CCOC(=O)[C@](C)(NCCN=[N+]=[N-])C1CS(=O)(=O)C1 1912179095 RKGQTCCTFQZMKO-SNVBAGLBSA-N 290.345 0.253 10 10 CCCE CC(C)NC(=O)NC(=O)CN1CC[C@@H](N=[N+]=[N-])C1 1912185828 WHCMBYCBFHLLJF-MRVPVSSYSA-N 254.294 0.605 10 10 CCCE [N-]=[N+]=NC1CN(C(=O)Cn2cnc3sccc3c2=O)C1 1912206007 QUDGVTQKRXLKHS-UHFFFAOYSA-N 290.308 0.979 10 10 CCCE COCC1CN(CC(=O)c2ccc(O)c(O)c2)C1 1912253324 KWNPQGCRPCVRCQ-UHFFFAOYSA-N 251.282 0.859 10 10 CCCE CON1CCN(c2ccc3c(c2)NC(=O)[C@@H]3N)CC1 1915797704 SAVGJTVNCDFACF-GFCCVEGCSA-N 262.313 0.322 10 10 CCCE CNC(=O)[C@@H](C)N(C)c1ccc2c(c1)N(C)C(=O)[C@@H]2O 1916788799 XMIDNHXILNXVNX-PRHODGIISA-N 277.324 0.267 10 10 CCCE C[C@H]1CN(S(=O)(=O)Cc2ccc(N)cc2)CCN1C 110706199 OKPMGZMEDWWXNT-NSHDSACASA-N 283.397 0.735 10 10 CCCE CN(CCC(=O)Nc1ccc(N)cc1)[C@H]1CCNC1=O 1916854913 VTXVTUNJLYFJES-LBPRGKRZSA-N 276.340 0.418 10 10 CCCE C[C@@]1(CNC(=O)/C=C\c2ccc(O)c(O)c2)CCC(=O)N1 1450994651 OTMAISGTXAVDTH-QTLSWZBMSA-N 290.319 0.896 10 10 CCCE C[C@H](N)c1ccc(N2CC(=O)NC(=O)[C@@H]2C)cc1O 225214243 GGSBSDKNIJUZSO-YUMQZZPRSA-N 263.297 0.263 10 10 CCCE Cc1ccc(C(=O)N2CCO[C@H]([C@@H](C)O)C2)c(O)c1O 1468940840 WPSOZJGJIPFAIW-KOLCDFICSA-N 281.308 0.628 10 10 CCCE CN1C(=O)CN=C1NC(=O)/C=C\c1ccc(O)c(O)c1 1470596516 PDMMUCQEYNGPLZ-HYXAFXHYSA-N 275.264 0.055 10 10 CCCE NCCc1csc(NC(=O)c2cc(O)nc(O)c2)n1 2137267920 JRYARWIXECRUNB-UHFFFAOYSA-N 280.309 0.703 10 10 CCCE CN(CCN=[N+]=[N-])C(=O)[C@@]12CCC[C@@H]1CS(=O)(=O)C2 2137222859 ROXAPMRRUAJHTK-MWLCHTKSSA-N 286.357 0.970 10 10 CCCE CC(C)[C@@H](CO)ONC(=O)Cc1ccc(O)c(O)c1 1637388073 PWCOXMLBYDYQJE-GFCCVEGCSA-N 269.297 0.705 10 10 CCCE COc1ccc(N2CCOC[C@@]2(CN)CO)cc1Cl 2138245959 LKCYLTIRMDWKKJ-CYBMUJFWSA-N 286.759 0.875 10 10 CCCE Cc1cccc(CNC(=O)C2(N)CC(CO)C2)c1O 2139757175 FFQBXIAXTHDQMH-UHFFFAOYSA-N 264.325 0.417 10 10 CCCE Cc1cccc(CNC(=O)[C@@H]2COCC[C@@H]2N)c1O 2139751392 RZNLGHYIOXMTLK-NEPJUHHUSA-N 264.325 0.681 10 10 CCCE CCS(=O)(=O)CCNC(=O)COc1ccc(N)cc1 233800970 LJALPEAPECLBAT-UHFFFAOYSA-N 286.353 0.199 10 10 CCCE O=C(NC[C@@H]1C[C@@H]2NCC[C@H]21)c1ccc(O)c(O)c1 2140679161 CEGLZOZQFYSPCK-DCAQKATOSA-N 262.309 0.826 10 10 CCCE CCNCc1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CF)cc1 2140667320 XDDUSCPHXKSTSP-RDBSUJKOSA-N 268.332 0.676 10 10 CCCE Nc1ccc(CC(=O)N2C[C@@H]3CS(=O)(=O)C[C@H]3C2)cc1 2144164431 HZNDSQSHKZCKOI-VXGBXAGGSA-N 294.376 0.314 10 10 CCCE CN(C)[S@](N)(=O)=NCCc1ccc(O)c(O)c1 1948631531 KPWWVHJJYGAYDK-QGZVFWFLSA-N 259.331 0.459 10 10 CCCE Oc1ccc(-c2noc([C@@H]3C[C@@H](O)CN3)n2)cc1O 236562351 PWAOSCKWIPPJTI-SFYZADRCSA-N 263.253 0.543 10 10 CCCE Cc1cccc(CN2CCO[C@H](CS(C)(=O)=O)C2)c1O 897594833 DTOABLBUVHTCMK-ZDUSSCGKSA-N 299.392 0.946 10 10 CCCE CS(=O)(=O)[C@@H]1CC[C@@H](NC(=O)Cc2ccc(N)cc2)C1 1967300374 IJXGFBBZWVLFTE-CHWSQXEVSA-N 296.392 0.893 10 10 CCCE CN1CC[C@@H](NC(=O)Cc2ccc(N)cc2)CC1=O 1972289541 JVYCGFFVQABOGN-GFCCVEGCSA-N 261.325 0.548 10 10 CCCE Nc1ccc(OCCCN2CCO[C@H](CO)C2)cc1 167804182 XVUFDUGXKDOQHW-AWEZNQCLSA-N 266.341 0.731 10 10 CCCE C[C@@H]([C@](C)(NCCN=[N+]=[N-])C(=O)O)S(C)(=O)=O 2004026452 KCJVLRMFVCYIFT-XPUUQOCRSA-N 264.307 0.163 10 10 CCCE Nc1cc2c(cc1N1C[C@H](O)[C@@H]3COC[C@H]31)OCCO2 2158415717 RASUVZMNZDKNTG-FXAINCCUSA-N 278.308 0.236 10 10 CCCE C[C@@H]1NC(=O)CC[C@H]1NCc1cc2c(cc1O)OCO2 282386321 OSELBQMNVHJOAE-WCBMZHEXSA-N 278.308 0.878 10 10 CCCE COc1cc2c(cc1OC)N(C[C@H](O)CO)CC2 2026865684 IUZDOAACFLJKOZ-JTQLQIEISA-N 253.298 0.420 10 10 CCCE COc1cccc(CN[C@H]2CN(C)C[C@H]2O)c1O 2029866144 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CC(C)S(=O)(=O)CCNC(=O)c1ccc(O)c(O)c1 382451204 UERMKCDZRRHRKY-UHFFFAOYSA-N 287.337 0.651 10 10 CCCE CNCc1ccc(N2C[C@H]3C(=O)NC(=O)[C@H]3C2)cc1Cl 386775725 KMAIMQOOMLGHKN-PHIMTYICSA-N 293.754 0.768 10 10 CCCE C[C@H]1CN(CC(=O)c2ccc(O)c(O)c2)C[C@@H]1O 388892686 RWAGTNUZDGGDHM-UFBFGSQYSA-N 251.282 0.593 10 10 CCCE O=C(C[C@H](O)C1CC1)NCc1cccc(O)c1O 2064581658 WXZYPVWCQMWPSE-NSHDSACASA-N 251.282 0.875 10 10 CCCE COc1cccc(O)c1CNC[C@H]1[C@@H]2CS(=O)(=O)C[C@H]12 2174621245 DUEGKEXRDFOAPI-WLLOZRIZSA-N 297.376 0.781 10 10 CCCE CN(C)C(=O)CCN(C)c1ccc2c(c1)NC(=O)[C@@H]2O 2188477049 KHXYBSHGJHPETC-CYBMUJFWSA-N 277.324 0.587 10 10 CCCE C[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)C[C@@H]1CCN 2188919086 KCJWTWYKKOBANY-BDAKNGLRSA-N 280.324 0.860 10 10 CCCE C[C@@H](O)c1cnc(Sc2nc(=O)c(=O)[nH]n2C)s1 2041813370 LNHORVFLXVHBPG-SCSAIBSYSA-N 286.338 0.130 10 10 CCCE NCC1(F)CC(NC(=O)c2cccc(O)c2O)C1 2042827488 KEURTADACOHXGK-UHFFFAOYSA-N 254.261 0.657 10 10 CCCE CNCc1ccc(N2C[C@@H](O)C[C@@H](OC)C2)cc1 2046664903 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N[C@@H]1CCc2cc(N3CC[C@H]4C[C@H]3[C@H](O)[C@@H]4O)ccc21 2199530111 BTKLXMNNEBZPCA-OLWDYRCYSA-N 274.364 0.953 10 10 CCCE CCn1nncc1[C@@H](O)[C@H](NC)c1ccccc1O 2100281201 WKGKQLPOLQRTBE-CHWSQXEVSA-N 262.313 0.998 10 10 CCCE NCc1ccc(N2CC[C@H](O)C[C@@H]2CO)cc1F 2080496493 PTPIOOFMMYURSO-NEPJUHHUSA-N 254.305 0.606 10 10 CCCE O=C(O)[C@H]1C[C@@H](O)CCN1Cc1ccccc1O 2081081533 HJZKWEMAZXTARX-WDEREUQCSA-N 251.282 0.802 10 10 CCCE OC[C@H]1CO[C@H](CNCc2ccc(O)c(O)c2O)C1 2101331426 KOMUCWZQFAKZSX-WPRPVWTQSA-N 269.297 0.290 10 10 CCCE CCOC[C@H](NC(=O)c1cccc(O)c1O)C(=O)O 2101419441 SOJLFPCFBJIBKY-QMMMGPOBSA-N 269.253 0.317 10 10 CCCE COc1cc(N2CC(NC(N)=O)C2)ccc1CN 2084011399 AIJNOCOVKXELHB-UHFFFAOYSA-N 250.302 0.011 10 10 CCCE COc1cccc(O)c1CN1CCC[C@@](O)(CN)C1 2104442876 RETHJNJXJAUSHG-CQSZACIVSA-N 266.341 0.686 10 10 CCCE COC1(C(N)=O)CN(CCCc2ccc(N)cc2)C1 2104902925 RTRPXFOGDHDZIY-UHFFFAOYSA-N 263.341 0.388 10 10 CCCE COc1cc(C)c(N2CCNC[C@@H]2C(N)=O)cc1C 2106327770 YLGWNVUGTWEQPF-GFCCVEGCSA-N 263.341 0.576 10 10 CCCE C[C@H]1CN(Cc2ccc(O)cc2O)[C@@H](C(=O)O)CO1 2109525297 NTXGAPMVLNLOGF-GZMMTYOYSA-N 267.281 0.772 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@H]2[C@H]3CCOC[C@@H]32)cc1 2093708525 ARJAGBDUFHDNHK-RWMBFGLXSA-N 282.365 0.723 10 10 CCCE CN(CC(CO)CO)c1ccc([N+](=O)[O-])c(CO)c1 2094027409 OUQNFZDXNOBIDN-UHFFFAOYSA-N 270.285 0.124 10 10 CCCE CO[C@@H]1CN(Cc2ccccc2O)[C@H](C(=O)O)[C@H]1OC 2205459163 GIDWQDIDIWDLBW-AGIUHOORSA-N 281.308 0.691 10 10 CCCE O=[N+]([O-])c1ccc(N2CC(OCCCO)C2)cc1CO 2206956863 IRIQBXYNHUSSDE-UHFFFAOYSA-N 282.296 0.675 10 10 CCCE C[C@@H](COc1nnc(=N)[nH]n1)N(C)C(=O)OC(C)(C)C 2209173281 QUSMVADAQRQZOY-ZETCQYMHSA-N 284.320 0.313 10 10 CCCE Cc1cc([C@H](C)O)ccc1N1CC(=O)NC(=O)[C@H]1C 2232095195 AYJSUNTZCHTOBR-ZJUUUORDSA-N 262.309 0.900 10 10 CCCE O=c1c2c(ccn1C[C@@H]1C[C@]13CCOC3)CCNC2 2228663907 PWHDDHDOQZDQLR-WFASDCNBSA-N 260.337 0.921 10 10 CCCE CC1(C)C(=O)NC[C@@H]1NCc1cccc(O)c1O 2255124276 ZRJYABMKQLYOPH-JTQLQIEISA-N 250.298 0.712 10 10 CCCE CSc1ncc(CNC(=O)[C@H](N)CN(C)C)s1 2248608173 HTAMVDLFPHEKQW-MRVPVSSYSA-N 274.415 0.370 10 10 CCCE O=C1CCC[C@H](C(=O)c2nnn3c2CCCC3)C1=O 2273513610 DIQGDCPCUOVOHI-QMMMGPOBSA-N 261.281 0.735 10 10 CCCE COC(=O)C(C)(C)CS(=O)(=O)N1CC[C@@H](N=[N+]=[N-])C1 2274323256 NNNFGQSCWBSHBK-MRVPVSSYSA-N 290.345 0.900 10 10 CCCE COc1cccc(CN2CC[C@H]3C(=O)NC[C@@H]3C2)c1O 365666200 YSJCNUUWFMUTIS-VXGBXAGGSA-N 276.336 0.969 10 10 CCCE NCc1ccc(N2C[C@@H]3C[C@H]2[C@H](O)[C@@H]3O)c(F)c1F 2329332641 NFVRGRSWGDDNCG-OBRLSWLKSA-N 270.279 0.354 10 10 CCCE CCN(CCN=[N+]=[N-])C(=O)Cn1ccc([N+](=O)[O-])n1 2337776695 NXUCAXNKCRKMCC-UHFFFAOYSA-N 267.249 0.950 10 10 CCCE Nc1ccc(CCC(=O)OC[C@H]2CNC(=O)C2)cc1 2353288505 VBHLDRKTPNCKFI-LLVKDONJSA-N 262.309 0.881 10 10 CCCE O=C(N[C@H]1C=C[C@H](C(=O)O)C1)c1cccc(O)c1O 126059685 FYWIHJHXURWFKL-YUMQZZPRSA-N 263.249 0.857 10 10 CCCE Cn1cnc(S(=O)(=O)Nc2ccc(O)cc2N)c1 236090219 RBBGDTQSFHBODA-UHFFFAOYSA-N 268.298 0.509 10 10 CCCE O=S1(=O)C[C@H](c2c(O)cccc2Cl)NCCN1 1952526725 IQLRDRALWPASGQ-MRVPVSSYSA-N 276.745 0.609 10 10 CCCE C[C@@H]1OCC[C@@]1(O)CNCc1ccc(O)cc1O 227978065 BTLNLFTWHQUYFB-TVQRCGJNSA-N 253.298 0.727 10 10 CCCE CC[C@@H]1C(=O)NCCN1c1ccc(CN)c(OC)c1 2139683948 DBDPBGHDGJTEPJ-GFCCVEGCSA-N 263.341 0.869 10 10 CCCE [N-]=[N+]=NCCCN[C@@]1(C(=O)O)CN2CCC1CC2 90258773 ILEIQLBLKDEYQZ-NSHDSACASA-N 253.306 0.825 10 10 CCCE N[C@@H](CO)c1c(F)cc(O)c(O)c1Br 258713624 WCOJKHFIJVZYQI-BYPYZUCNSA-N 266.066 0.992 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N(C)CC(=O)N(C)C)ccc21 723163202 DSJXCLIXDIYVJN-CYBMUJFWSA-N 276.340 0.424 10 10 CCCE COC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)CN=[N+]=[N-] 686245659 DXZOUDZGIOGNKF-BQBZGAKWSA-N 274.277 0.724 10 10 CCCE C[C@@H](NC[C@H](O)CS(C)(=O)=O)c1c(O)cccc1F 927030682 XZSWEHAOWLIUBJ-BDAKNGLRSA-N 291.344 0.587 10 10 CCCE N=C1NC(=O)[C@@H](CC(=O)N2Cc3cccc(O)c3C2)S1 871201136 PKEGKDTZQRMVQE-SNVBAGLBSA-N 291.332 0.791 10 10 CCCE CNCc1ccc(N2CCN(CC(N)=O)CC2)c(C)c1 700818955 ADEFDHBFXYUWHU-UHFFFAOYSA-N 276.384 0.322 10 10 CCCE COc1ccc(N2CCN[C@H](CO)C2)c(OC)c1 84590217 GKBLUBLOHGXSMU-JTQLQIEISA-N 252.314 0.474 10 10 CCCE CO[C@H]1CNC[C@@H]1C(=O)N(C)Cc1ccccc1O 690923432 IWHHJBUTQYQGTQ-AAEUAGOBSA-N 264.325 0.585 10 10 CCCE CCN(CC(=O)N(C)c1ccc(N)cc1)C[C@@H](C)O 691425910 UBQYWPIMAFEWDB-LLVKDONJSA-N 265.357 0.934 10 10 CCCE Cc1[nH]nc(CNC(=O)c2cc(O)nc(O)c2)c1C 716218971 CJNQIXRTBALIQD-UHFFFAOYSA-N 262.269 0.763 10 10 CCCE O=C(CNC(=O)N1CCCC1)NCc1ccc(O)cc1O 1142533625 OCGYBVWKOXIVTL-UHFFFAOYSA-N 293.323 0.519 10 10 CCCE O=C(NC[C@H]1CCC2(CNC2)O1)c1ccc(O)c(O)c1 690699431 WPACMFPGHBAGCY-SNVBAGLBSA-N 278.308 0.349 10 10 CCCE COc1cc(N)c(N2CCC(CO)(CO)C2)cc1OC 694627723 ZYPGUVVURUKPKM-UHFFFAOYSA-N 282.340 0.467 10 10 CCCE C[C@@H]1COC[C@@H]1NS(=O)(=O)Cc1ccc(N)cc1 699495861 MSLIGPQXCAYCFX-SKDRFNHKSA-N 270.354 0.723 10 10 CCCE C[C@H](N[C@@H]1CCC(=O)NC1=O)c1cc(O)ccc1O 89754679 QCDGBXNAEULJJT-OIBJUYFYSA-N 264.281 0.554 10 10 CCCE COC(=O)/C=C\[C@@H](C)NC(=O)c1cccc(O)c1O 1159782646 HRPSOFSFSMFVPA-NFXKFNAJSA-N 265.265 0.945 10 10 CCCE CC(=O)C(=O)[C@H](O)c1nc(Br)nn1C(C)C 1905518354 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O=C(CO[C@H]1CCOC1)NCc1c(O)cccc1O 1639289842 YHNHDKDCQUWFHW-VIFPVBQESA-N 267.281 0.520 10 10 CCCE CONC(=O)CNC(=O)c1cc2cc(O)c(O)cc2s1 1645954503 PHMUHSFIZLWPMY-UHFFFAOYSA-N 296.304 0.720 10 10 CCCE CCn1cc(CC(=O)NCc2c(O)cccc2O)nn1 1647291393 ZRULBVMFJJMCRH-UHFFFAOYSA-N 276.296 0.568 10 10 CCCE CO[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)C[C@H]1O 1641563680 LZRFPGLJAFVVAT-RKDXNWHRSA-N 271.244 0.069 10 10 CCCE CNCc1ccc(N2CCOC[C@@H](O)C2)cc1OC 2139691676 UOHLCIOMRFTSCJ-ZDUSSCGKSA-N 266.341 0.612 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1C[C@H]2[C@H](O)CC[C@H]2C1 124832407 CDNBNCOKHKWQFY-FXBDTBDDSA-N 264.281 0.336 10 10 CCCE CC(=O)c1cccc(NC(=O)C[C@H]2C(=O)NN(C)C2=O)c1 169996154 PJNOEWWKGLISOP-NSHDSACASA-N 289.291 0.337 10 10 CCCE [N-]=[N+]=NCCCN[C@]1(C(N)=O)CCN2CCC[C@H]2C1 156579631 HQZAZBZZANDCIS-CMPLNLGQSA-N 266.349 0.759 10 10 CCCE CO[C@@H]1CN(C(=O)Cc2ccc(N)cc2)C[C@H]1OC 234999765 RYCZQHQOKIJIMF-CHWSQXEVSA-N 264.325 0.684 10 10 CCCE CS(=O)(=O)[C@H]1COC[C@@H]1NCc1c(O)cccc1F 2142474230 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0.882 10 10 CCCE C[C@H](N)c1cnc(SC2=NC(=O)CC(=O)N2)s1 1997409898 SSNOCFKWOVYRQU-BYPYZUCNSA-N 270.339 0.657 10 10 CCCE Cn1cnnc1CNS(=O)(=O)Cc1ccc(N)cc1 40347028 UICWEVHGBOITHC-UHFFFAOYSA-N 281.341 0.017 10 10 CCCE NC(=O)[C@@H]1CCCN1C(=O)COc1ccc(N)cc1 40301954 UMGYCUAZENETTD-NSHDSACASA-N 263.297 0.124 10 10 CCCE Nc1ccc(CN2C[C@H]3CCS(=O)(=O)[C@H]3C2)cc1 2028423433 SAZTYZUDNSVKCP-YPMHNXCESA-N 266.366 0.888 10 10 CCCE Cc1cc(N(C)C2CS(=O)(=O)C2)ccc1CCN 2034769392 SPSCEUORDUGILH-UHFFFAOYSA-N 268.382 0.729 10 10 CCCE C[C@@H](c1cc(O)ccc1O)N1CCOC[C@H](N)C1 2034713119 FQOWAIJWZRNOAD-VHSXEESVSA-N 252.314 0.818 10 10 CCCE OCc1ccc(N2CCC([C@@H](O)CO)CC2)cc1 2035034468 KIAMRTYHWCTYCW-AWEZNQCLSA-N 251.326 0.749 10 10 CCCE C[C@H](NC[C@H]1COC[C@@H]1O)c1ccc(O)cc1O 2036568966 RLQSBRLGNUQTJU-RVBZMBCESA-N 253.298 0.756 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1C[C@@H]2CC[C@H](O)[C@H]2C1 300418854 FOUYFCNGQVNXDV-DCAQKATOSA-N 263.293 0.941 10 10 CCCE COC[C@@](O)(CO)CN[C@H](C)c1cc(OC)ccc1O 2158617786 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C[C@@H]1CN(C)CCN(C(=O)c2cc(O)c(O)c(O)c2)C1 2188875228 OZERSVGAAUJLLD-SECBINFHSA-N 280.324 0.827 10 10 CCCE CNCc1ccc(N2C[C@@H]3C[C@H](C2)[C@@H](O)[C@@H]3O)c(F)c1 2182559730 KLLPTIFOIFXXQQ-BAESOJJISA-N 280.343 0.723 10 10 CCCE CC1(C)CN(C(=O)c2cc(O)c(O)c(O)c2)CC[S@]1=O 2188922596 HZXONBUUQREXQH-HXUWFJFHSA-N 299.348 0.787 10 10 CCCE CCO[C@@H]1C[C@H](N)[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2188924351 PCSBAYYCDXPGOC-WHGOUJPWSA-N 282.296 0.038 10 10 CCCE COc1cccc(O)c1CN[C@@H]1CCOC[C@@H]1O 2042572632 XWBMMIRPOUCHND-PWSUYJOCSA-N 253.298 0.640 10 10 CCCE CNCc1ccc(N2C[C@@H](O)C[C@H](O)C2)cc1C 2043134927 QJHAINFBZAVWEY-KBPBESRZSA-N 250.342 0.646 10 10 CCCE O[C@H]1C[C@H]2C[C@@H]([C@@H]1O)N(c1ccc3c(c1)CC[C@H]3O)C2 2184740262 RDLYIVYCWIJLFD-PQMHSXNQSA-N 275.348 0.987 10 10 CCCE O=S1(=O)C[C@@H]2[C@H](NCc3cccc(F)c3O)[C@@H]2C1 2054267934 PTTHTICCWCOSTN-DOFRTFSJSA-N 271.313 0.664 10 10 CCCE CCNC(=O)NC(=O)CN1CCC[C@@H]1CN=[N+]=[N-] 2059060557 XHSLLOUUDHREOC-MRVPVSSYSA-N 254.294 0.607 10 10 CCCE O=S(=O)(Nc1ccc(O)cc1)[C@@H]1CCC12CNC2 2059350853 QIUZKCQNUQEYOY-LLVKDONJSA-N 268.338 0.886 10 10 CCCE O=C(NC[C@@H]1CNC2(CC2)CO1)c1cccc(O)c1O 2185703481 JFNOMWUEBVJHOV-SECBINFHSA-N 278.308 0.349 10 10 CCCE CC(C)(C)[C@H]1C[C@](NCCN=[N+]=[N-])(C(N)=O)CO1 2065793564 ATCAAGZWZQJKLE-LDYMZIIASA-N 255.322 0.945 10 10 CCCE C[C@@H](O)c1cc(F)c(N2CCOC[C@H]2C(N)=O)c(F)c1 2194516150 HXBHKBZGJAOBTQ-HQJQHLMTSA-N 286.278 0.709 10 10 CCCE C[C@H]1C[C@@H](N)CN1C(=O)c1cc(O)c(O)c(O)c1 2068622317 WAOUMXUGCJAVPN-POYBYMJQSA-N 252.270 0.365 10 10 CCCE Nc1ccc(NC(=O)N[C@@]2(CO)CCNC2)cc1 2071567436 VHYOIDLVERQQHD-LBPRGKRZSA-N 250.302 0.115 10 10 CCCE [N-]=[N+]=NCCCN[C@]1(C(N)=O)C[C@H]2CC[C@H]1CN2 2071500395 GEIHEKVASLSBOK-IQJOONFLSA-N 252.322 0.272 10 10 CCCE NCCCCNC(=O)CCOc1ccc(N)cc1 2071671103 JVRMZFMVGACICI-UHFFFAOYSA-N 251.330 0.893 10 10 CCCE Nc1ccc(CCC(=O)N2CC[C@@](N)(C(=O)O)C2)cc1 2191732763 YIYTXZOURRRDOK-AWEZNQCLSA-N 277.324 0.216 10 10 CCCE CCOC[C@@H](NC(=O)c1ccc(O)c(O)c1)C(=O)O 2101419564 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CS(=O)(=O)CCC(=O)N1CC[C@@H](CN=[N+]=[N-])C1 1912211120 SDUFYUQEGGPMBP-QMMMGPOBSA-N 260.319 0.580 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NCCc1cnccn1 1152866224 OKUSDOIRQDSBSA-UHFFFAOYSA-N 273.292 0.789 10 10 CCCE O=C(N[C@@]12CC[C@@H](CNC1)C2)c1cc(O)nc(O)c1 2116637214 ZWTXHSDITWDVFW-AMIZOPFISA-N 263.297 0.365 10 10 CCCE CO[C@@H](C(=O)O)C1CN(Cc2ccc(O)c(O)c2)C1 2115714605 KDYVGIPWDLXAJW-GFCCVEGCSA-N 267.281 0.629 10 10 CCCE CC1(C)[C@H](O)[C@H](O)CN1C(=O)c1ccc(O)c(O)c1 2124801810 JIVJRCXLKVGLJW-GHMZBOCLSA-N 267.281 0.054 10 10 CCCE CC(C)(C)n1nnc(C(=O)NCc2cccc(O)c2O)n1 1176576218 HMCJUXAWPWHTFO-UHFFFAOYSA-N 291.311 0.769 10 10 CCCE CC(C)(NC(=O)c1cccc(O)c1O)[C@@H](O)C(=O)O 2120354694 BMNWQNTVHIELGY-VIFPVBQESA-N 269.253 0.052 10 10 CCCE NC(=O)C1(CNC(=O)COc2ccc(N)cc2)CC1 2121064956 WNHXWHPFFFWOTQ-UHFFFAOYSA-N 263.297 0.029 10 10 CCCE N[C@@H]1C[C@@H]2CN(C(=O)c3ccc(O)c(O)c3)C[C@@H]2C1 2128759969 STDSMIFUEKITNQ-JGPRNRPPSA-N 262.309 0.907 10 10 CCCE CC1(C)OC[C@H](NC(=O)c2ccc(O)c(O)c2)[C@H]1N 1911073908 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10 CCCE CO[C@H]1CN(Cc2ccc3c(c2)CCN3C)C[C@@H]1N 2122652190 LLEUEALYYCOYLU-ZFWWWQNUSA-N 261.369 0.837 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC=C[C@H]1CF 2203015336 WJSDYOATGUBOMM-QWRGUYRKSA-N 280.299 0.704 10 10 CCCE N[C@H]1CCCc2cc(N3C[C@H](O)[C@@H](O)[C@H]3CF)ccc21 2205607485 FHFLPVXAYFUILW-XGUBFFRZSA-N 280.343 0.903 10 10 CCCE N=c1cc(CNC(=O)Cc2ccc(N)cc2)cc[nH]1 2231857496 UGRDHTUKFNETED-UHFFFAOYSA-N 256.309 0.935 10 10 CCCE COC[C@@H]1[C@@H](O)[C@H](O)CN1c1ccc([C@H](C)N)cc1F 2234064914 HLRWVSSHDUVOEH-OKVQYTGBSA-N 284.331 0.402 10 10 CCCE COc1ccc(N2CC[C@H]3CS(=O)(=O)C[C@H]32)c(CN)c1 2235954238 KSVCYTPKMHNSDO-IINYFYTJSA-N 296.392 0.777 10 10 CCCE CN1CC2(CCN2c2ccc3c(c2)N(C)C(=O)[C@@H]3N)C1 2238610283 DLMUVFMATPCROQ-CYBMUJFWSA-N 272.352 0.557 10 10 CCCE NCCc1nc(=NC(=O)Nc2ccc(N)cc2)s[nH]1 2229906087 XXPNZNNCRRMXKW-UHFFFAOYSA-N 278.341 0.687 10 10 CCCE CNCc1cc(F)c(N2CC[C@H]2[C@H](O)CO)c(F)c1 2270697692 BMLICJYIAWQREL-NWDGAFQWSA-N 272.295 0.616 10 10 CCCE O=C1NC[C@H]2CCCN(C(=O)c3ccc(O)c(O)c3)[C@H]12 2279252691 FFFIAHFDQVCCFM-SKDRFNHKSA-N 276.292 0.448 10 10 CCCE O=[N+]([O-])c1ccc(N2CC[C@H](O)[C@H](O)CC2)cc1CO 2284541247 JZSRFPCTRRCBLP-BETUJISGSA-N 282.296 0.409 10 10 CCCE COc1ccc(N2C[C@@H]3C[C@H]2[C@@H](O)[C@@H]3O)c(C=O)c1 2333716126 WZQXHXHLJXSCEN-VGSLSFOHSA-N 263.293 0.438 10 10 CCCE NC(=O)CONCc1cc(OC(F)(F)F)ccc1O 2336036920 XUGOARVKMLFHQD-UHFFFAOYSA-N 280.202 0.797 10 10 CCCE C[C@]1(O)CCN(C(=O)Cc2ccc(N)cc2)C[C@H]1O 1893313062 XRRLECKBANIYCH-OCCSQVGLSA-N 264.325 0.156 10 10 CCCE CCC[C@H](O)CNS(=O)(=O)Cc1ccc(N)cc1 134327585 OGZWVLOCGUABAC-LBPRGKRZSA-N 272.370 0.849 10 10 CCCE NNS(=O)(=O)c1cc(Cl)cc(Cl)c1O 82315188 NUBAETVCIKJWCK-UHFFFAOYSA-N 257.098 0.851 10 10 CCCE CCOC(=O)CCS(=O)(=O)NCCCCN=[N+]=[N-] 231733375 JLTAXAJRMWUZMN-UHFFFAOYSA-N 278.334 0.950 10 10 CCCE CS(=O)(=O)[C@H]1CCC[C@@]1(NCCN=[N+]=[N-])C(=O)O 90256628 QSYYDWFBFKMZRE-CBAPKCEASA-N 276.318 0.307 10 10 CCCE CC(C)(O)COCCNC(=O)Cc1ccc(O)c(O)c1 1965069903 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C[C@H](N)[C@@H]1C[C@H]1C(=O)NCCc1ccc(O)c(O)c1 2118319038 JZENYVGBRKMDGG-INTQDDNPSA-N 264.325 0.740 10 10 CCCE O=C(O)[C@@H]1C=CCCN1C(=O)c1cc(O)nc(O)c1 2125990663 MOVWTGRQUKBNQR-QMMMGPOBSA-N 264.237 0.348 10 10 CCCE Nc1ccc(CCCN2C[C@@H](O)C[C@@H]2C(=O)O)cc1 2123056417 NMDQSAPRCZKLHC-QWHCGFSZSA-N 264.325 0.721 10 10 CCCE O=C(C(=O)N1CC(F)C1)N1Cc2cccc(O)c2C1 1330497588 URXBPDWXUCGOLG-UHFFFAOYSA-N 264.256 0.415 10 10 CCCE C[C@@H]1C[C@H](CNC(=O)c2cc(O)c(O)c(O)c2)CO1 2132398898 APDOVQLNESDQFJ-HTQZYQBOSA-N 267.281 0.958 10 10 CCCE COCCN(C)C[C@H](O)CN1CCC[C@H](CN=[N+]=[N-])C1 1912191573 SZLUOSDJLWBVQT-OLZOCXBDSA-N 285.392 0.948 10 10 CCCE CO[C@@H]1CS(=O)(=O)C[C@H]1N1CCC(N=[N+]=[N-])CC1 1912150884 ZSYWQTKUWRUBCJ-NXEZZACHSA-N 274.346 0.573 10 10 CCCE C[C@H](c1c(O)cccc1O)N1C[C@H](O)C[C@H]1C(=O)O 2136093155 FYKGNTADGXDALT-HLTSFMKQSA-N 267.281 0.679 10 10 CCCE C[C@@H](C(=O)Nc1ccc(N)cc1)N1CC[C@@H](CO)C1 226439314 URXKLNAEAIWOLW-WDEREUQCSA-N 263.341 0.910 10 10 CCCE C[S@](=O)CCNC(=O)Cc1ccc(O)c(O)c1 1615099100 WYSRLEDIBOJBGK-KRWDZBQOSA-N 257.311 0.135 10 10 CCCE Cc1nonc1CC(=O)NCc1ccc(O)cc1O 1630301863 KAULZFDVQXJNPX-UHFFFAOYSA-N 263.253 0.648 10 10 CCCE CCNC(=O)CNC(=O)[C@H]1CNc2ccccc2N1 229877452 RZGIMYNQECYSDL-LLVKDONJSA-N 262.313 0.145 10 10 CCCE NC(=O)CCCNC(=O)[C@@H]1CNc2ccccc2N1 229877846 KOADARZJKGEEGU-NSHDSACASA-N 262.313 0.274 10 10 CCCE CN1CC[C@H](NC(=O)[C@@H]2CNc3ccccc3N2)C1 229878769 STYSUXMBVOECKU-GWCFXTLKSA-N 260.341 0.713 10 10 CCCE NC(=O)CC1CC(NC(=O)Cc2ccc(O)c(O)c2)C1 1644349891 BCMNDOGMXGMTJN-UHFFFAOYSA-N 278.308 0.411 10 10 CCCE COC[C@](C)(CC(=O)OC)NC(=O)c1cccc(O)c1O 1587041487 AANMNPVSHNZDFQ-AWEZNQCLSA-N 297.307 0.796 10 10 CCCE CNCc1ccc(N2C[C@@H](O)C[C@@H](O)C2)cc1OC 2139698470 JNTMUQWBDISWGO-BETUJISGSA-N 266.341 0.347 10 10 CCCE COc1ccc(N(C)C[C@H](O)CC(=O)O)cc1OC 259011198 NROQUOOXLQPMGB-SNVBAGLBSA-N 269.297 0.976 10 10 CCCE CNC[C@@H]1CCCN1C(=O)COc1ccc(N)cc1 1876443923 NMIPZJAAENJJIO-LBPRGKRZSA-N 263.341 0.858 10 10 CCCE C[C@H](NS(=O)(=O)c1cn(C)nn1)c1ccccc1O 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Nc1ccc(OC[C@@H](O)CN2C[C@@H](O)C(F)(F)C2)cc1 2152098159 JWWWWGFCZFENMH-CMPLNLGQSA-N 288.294 0.320 10 10 CCCE C[C@H](NC(=O)COc1ccc(N)cc1)c1nnn[nH]1 44884642 QKQQFPPETLLJEI-ZETCQYMHSA-N 262.273 0.038 10 10 CCCE NC(=O)N[C@H]1CCN(Cc2ccc(F)cc2O)C1 293824818 DLXDKSNLAWKUKE-JTQLQIEISA-N 253.277 0.774 10 10 CCCE CN(C(=O)c1cc(O)nc(O)c1)[C@H]1C[C@@H]2CC[C@H](C1)N2 2159674316 NEWKXGZVEJFJDQ-JGPRNRPPSA-N 277.324 0.848 10 10 CCCE C[C@H]1[C@H](NCc2ccc(O)c(O)c2)CCS1(=O)=O 311194514 FCLCGCFWDMWWOU-WCBMZHEXSA-N 271.338 0.763 10 10 CCCE O=C(c1cccc(O)c1O)N1CC[C@H]2NCC[C@H]2C1 311934272 VBSMYJKXZCASPZ-GXSJLCMTSA-N 262.309 0.922 10 10 CCCE COC[C@@](O)(CO)CN[C@H](C)c1ccc(OC)cc1O 2158617995 HPWJYJNWPNAPQM-YGRLFVJLSA-N 285.340 0.421 10 10 CCCE CC1(C)[C@H](O)CCN1C[C@@H](O)COc1ccc(N)cc1 313627912 YZQJSIAELCCZRB-TZMCWYRMSA-N 280.368 0.854 10 10 CCCE CNCc1ccc(N2C[C@@H](O)[C@@H](CO)C2)c(C)c1 316875013 BCVJOPRRXDAVIR-TZMCWYRMSA-N 250.342 0.504 10 10 CCCE C[C@@H](O)c1ccc(N2CCN(CCO)C(=O)C2)cc1O 2171075183 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CCO[C@H]1CN(C(=O)c2cc(O)nc(O)c2)CC[C@@H]1O 2180075436 YWSHXNRYTMRYBL-UWVGGRQHSA-N 282.296 0.105 10 10 CCCE Nc1ccc(OC[C@H](O)CN2CCO[C@H](CF)C2)cc1 2172042401 VLWAWVHAQHUUDB-TZMCWYRMSA-N 284.331 0.679 10 10 CCCE COC[C@@H]1CN(C(=O)c2ccc(O)c(O)c2)CCO1 705827554 YXHSOPHADTYPGG-JTQLQIEISA-N 267.281 0.585 10 10 CCCE [N-]=[N+]=NCCCNC(=O)CCN1C(=O)CCC1=O 706374419 NORSQSYUAFLXOQ-UHFFFAOYSA-N 253.262 0.342 10 10 CCCE CN[C@H](C)c1ccc(N2CCC[C@@](O)(C(N)=O)C2)cc1 380025774 VCJDKJMZGOSYNX-ABAIWWIYSA-N 277.368 0.784 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1C[C@H]2CCNC[C@@H]2C1 382264484 OCZCKRCDCPSHRL-GHMZBOCLSA-N 262.309 0.779 10 10 CCCE CO[C@@H]1CC[C@@H]1NS(=O)(=O)Cc1ccc(N)cc1 724183898 XBSDMHNJANEDST-NWDGAFQWSA-N 270.354 0.866 10 10 CCCE CN(C)c1ccc(CNS(=O)(=O)C[C@@H]2CC[C@H]2N)cc1 2178212757 JTDREHCTLNYTSZ-GXTWGEPZSA-N 297.424 0.909 10 10 CCCE Cc1cc(N2CC(NS(=O)(=O)C3CC3)C2)ccc1CO 2165624702 LXSADLGDDRZOET-UHFFFAOYSA-N 296.392 0.758 10 10 CCCE C[C@H](N[C@@H]1C[C@H]2C[C@H]1[C@@H](O)[C@H]2O)c1c(O)cccc1O 2166421578 VKXJPEAQBJKBON-ANJXNZMPSA-N 279.336 0.879 10 10 CCCE Cc1cc(O)n2ncc(C(=O)NCC3(CO)CCC3)c2n1 2064397132 PARULAGIAFWMAE-UHFFFAOYSA-N 290.323 0.636 10 10 CCCE COC1(CF)CN(C[C@H](O)COc2ccc(N)cc2)C1 2168879108 IOPMLCSQRFZLLR-LBPRGKRZSA-N 284.331 0.679 10 10 CCCE Nc1ccc(N2CCN(C[C@@]3(O)CCOC3)C2=O)cc1 2169642462 KCRBEZSMLNVVFX-AWEZNQCLSA-N 277.324 0.662 10 10 CCCE Nc1ccc(N2CCN(C[C@]3(O)CCOC3)C2=O)cc1 2169642464 KCRBEZSMLNVVFX-CQSZACIVSA-N 277.324 0.662 10 10 CCCE CN1CC[C@H](NC(=O)CCc2ccc(N)cc2)CC1=O 2188503278 HYESLCKIKVZAEM-ZDUSSCGKSA-N 275.352 0.938 10 10 CCCE C[C@H](N)c1ccc(N2CC3(C2)OC[C@@H](O)[C@@H]3O)cc1Cl 2183626689 KFIUZUJLGZCIHC-CKLFPEKLSA-N 298.770 0.671 10 10 CCCE Nc1ccc(OC[C@H](O)COCCn2cccn2)cc1 2184455535 GSSXTFNCPGWPKZ-CYBMUJFWSA-N 277.324 0.922 10 10 CCCE N[C@@H]1CN(Cc2c(O)cccc2F)[C@@H]2COC[C@@H]12 2042624367 CAFJDSCUVBXOAT-MVWJERBFSA-N 252.289 0.689 10 10 CCCE Nc1cccc(F)c1N[C@@H]1C[C@H]2C[C@H]1[C@H](O)[C@@H]2O 2047618585 GSOZSXUJVZZWRT-ARYHEIGVSA-N 252.289 0.950 10 10 CCCE CCSC[C@@H](N)C(=O)NCCc1ccc(O)c(O)c1 2101642582 RZHUMPTVTVNNLU-SNVBAGLBSA-N 284.381 0.837 10 10 CCCE CN(C)c1ccc([C@@](C)(O)[C@](C)(N)C(=O)O)cc1 2058196578 DAEVIQZBQIUPML-CHWSQXEVSA-N 252.314 0.762 10 10 CCCE COc1ccc(N2CC[C@@](C)(O)[C@H](O)C2)c([N+](=O)[O-])c1 2197968577 UYTZDKOHTFUOEU-CHWSQXEVSA-N 282.296 0.925 10 10 CCCE CCOC(=O)c1cccc(N)c1N[C@H]1CCOC[C@@H]1N 2191691477 ZWUHKCNWPYJINL-RYUDHWBXSA-N 279.340 0.974 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC[C@H](C3(O)CC3)C2)cc1 2187040113 RMICABIGUNJWAQ-LBPRGKRZSA-N 296.392 0.945 10 10 CCCE NC(=O)CN(Cc1ccc(N)cc1)C[C@H]1C[C@H]1F 2068084072 QYOCFXUZXHDVAP-ZYHUDNBSSA-N 251.305 0.914 10 10 CCCE CN(CC[S@](C)=O)C(=O)c1cc(O)c(O)c(O)c1 2068578466 SATFQOLOFYWTTP-SFHVURJKSA-N 273.310 0.254 10 10 CCCE NCC1(O)CN(c2ccc(OCC(F)F)cc2)C1 2073890836 ZJEHRLJEIBYVGX-UHFFFAOYSA-N 258.268 0.840 10 10 CCCE O=C(N[C@@H]1CO[C@@H]2COC[C@H]12)c1cccc(O)c1O 2101870625 ATUPRLOTNWQQHO-FXPVBKGRSA-N 265.265 0.241 10 10 CCCE Oc1ccc(CNC[C@@H]2CO[C@H]3COC[C@@H]23)cc1O 2101839239 ISFSGSVKCJACHL-SUNKGSAMSA-N 265.309 0.849 10 10 CCCE CO[C@@H]1CN(Cc2cc(N)ccc2O)[C@H]2COC[C@H]12 2102147444 RKNJXYWASXEHNQ-SGMGOOAPSA-N 264.325 0.820 10 10 CCCE Cc1cc(N2CC[C@@H](N3CC(O)C3)C2)ccc1CO 2102519306 FKZJQLQFSJEWHT-CQSZACIVSA-N 262.353 0.743 10 10 CCCE CCNC(=O)NCCNCc1c(O)cccc1OC 2104439542 PVKWINMHERHPRB-UHFFFAOYSA-N 267.329 0.810 10 10 CCCE CN[C@@H](C)c1ccc(N2C[C@@H](O)C[C@@H](O)C2)cc1O 2105074294 MXLRSDQEWHMFGL-ZMLRMANQSA-N 266.341 0.605 10 10 CCCE Cc1cc(O)ccc1NS(=O)(=O)N1CCC[C@@H]1CO 2105592586 FXNWGDCCRPLMFP-SNVBAGLBSA-N 286.353 0.814 10 10 CCCE Nc1ccc(OCCN2CCCN(C=O)CC2)cc1 2106653083 ZVBDMEDSXGACRB-UHFFFAOYSA-N 263.341 0.812 10 10 CCCE CO[C@H]1C[C@@H](O)CN(C(=O)Nc2ccc(N)cc2)C1 2109017601 HIGJPTXPQUXJSD-NEPJUHHUSA-N 265.313 0.882 10 10 CCCE NCc1ccc(N2CCOC[C@H]2[C@@H](O)CO)c(Cl)c1 2090135871 KUYLSZHDMBMITP-STQMWFEESA-N 286.759 0.357 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1[C@H]2CC[C@@H]1C[C@H](O)C2 2098677033 KOFJKNGMBODODD-MYJAWHEDSA-N 264.281 0.621 10 10 CCCE COc1cc(N2C[C@@H]3C[C@H]2CN3C(N)=O)ccc1CO 2204549280 RXNSVSCALPWEHX-RYUDHWBXSA-N 277.324 0.529 10 10 CCCE CNCc1ccc(N2CCN(C(N)=O)CC2)cc1OC 2204550408 NPROIBZRRVJUJY-UHFFFAOYSA-N 278.356 0.615 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@@H]1CCC2(CNC2)O1 2205368476 UHYMLJUBBXXSDU-ZDUSSCGKSA-N 276.336 0.872 10 10 CCCE COc1ccc(N2CC[C@@](O)(CO)C2)c(OC)c1 2219645177 MRCLKQWACGGLOH-ZDUSSCGKSA-N 253.298 0.637 10 10 CCCE COc1ccc(N2CC[C@](O)(CO)[C@@H](O)C2)c(F)c1F 2235223948 RVSZSIRJJXWYKK-GWCFXTLKSA-N 289.278 0.268 10 10 CCCE COc1ccc(N2CCOC[C@@H]2[C@H](O)CO)c(C=O)c1 2235983002 JREPEZTYLCABOR-ZIAGYGMSSA-N 281.308 0.066 10 10 CCCE COc1ccc(N2C[C@@H](CO)[C@@H](CO)C2)c(CN)c1 2227682868 SCGYTAWWSZPNEX-TXEJJXNPSA-N 266.341 0.191 10 10 CCCE COc1ccc(N2C[C@@H](CO)C[C@@H]2CO)c(CN)c1 2227683987 PMECJHRXDRUHFG-CMPLNLGQSA-N 266.341 0.333 10 10 CCCE COC(=O)[C@@H](C)CS(=O)(=O)Nc1ccc(O)c(N)c1 2227868160 LELSBEMAIWAFKV-ZETCQYMHSA-N 288.325 0.525 10 10 CCCE Cc1cc([C@H](C)N)ccc1N1CC2(C1)OC[C@H](O)[C@@H]2O 2240833302 MJIKWCYGUFGBFZ-BPNCWPANSA-N 278.352 0.326 10 10 CCCE C[C@@H](NC(=O)c1ccc(O)c(O)c1)[C@@H]1CCCN1 2258831513 VBJVGBBEUAOAJN-SCZZXKLOSA-N 250.298 0.968 10 10 CCCE CC[C@@H](C)[C@H](NCc1ccc(O)c(O)c1O)C(N)=O 2278760944 WQMHIOACEUYWIV-XCBNKYQSSA-N 268.313 0.793 10 10 CCCE COc1ccc(O)c(CN2C[C@H](O)CC[C@H]2C(=O)O)c1 2279205530 DLEZZOMPLGKAQJ-PWSUYJOCSA-N 281.308 0.811 10 10 CCCE Nc1ccc(OCCS(=O)(=O)NC[C@H]2CC[C@H]2N)cc1 2287577360 SUHPPNHRPXOTFV-ZWNOBZJWSA-N 299.396 0.304 10 10 CCCE CN(C)C(=O)N1CC[C@@H](NCc2ccc(O)c(O)c2)C1 2288762378 GVKBWHOCSHOWML-LLVKDONJSA-N 279.340 0.943 10 10 CCCE N[C@H]1CC[C@@H]1S(=O)(=O)NCc1ccccc1O 2300762903 JAESAMYKKVONKO-ONGXEEELSA-N 256.327 0.301 10 10 CCCE OCc1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CF)cc1Cl 2311997358 NVMSXEFZENYLEM-TUAOUCFPSA-N 275.707 0.712 10 10 CCCE O=C(N[C@@H]1C[C@H]2CNC[C@@H]1C2)c1ccc(O)c(O)c1 2329447451 YVBSSHUPFDFHBX-INTQDDNPSA-N 262.309 0.826 10 10 CCCE Nc1ccc(CC(=O)N2C[C@@H]3C[C@H]2[C@H]3C(=O)O)cc1 2333039106 NWVHVVJUTOGYNF-GAFUQQFSSA-N 260.293 0.743 10 10 CCCE C[C@@H](c1ccccc1O)N1CCN[C@@H]2CS(=O)(=O)C[C@@H]21 2353876661 MBDPGSMZGXSXEK-UHTWSYAYSA-N 296.392 0.524 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3[C@H]4CC[C@@H]3C[C@H]4CO)ccc21 2354259604 BODSFQGQQPFPFQ-WAYYCVMKSA-N 273.336 0.988 10 10 CCCE Nc1ccc(CC(=O)N2CC[C@@H]3C[C@H]2[C@@H](O)[C@H]3O)cc1 2357588079 VAFXKRPJXHLHAB-UEEZHKSASA-N 276.336 0.154 10 10 CCCE NCc1cc(F)c(N2CC[C@@H]3C[C@H]2[C@@H](O)[C@@H]3O)c(F)c1 2357593025 QXHRMLNBNQWKOF-MGNUUCGSSA-N 284.306 0.744 10 10 CCCE CN(C(=O)c1cccc(O)c1O)[C@@H](CN)C1CC1 126730296 AZPWZKXEERCNIH-JTQLQIEISA-N 250.298 0.907 10 10 CCCE CC[C@@H]1C(=O)NC(=O)CN1c1cc(OC)c(OC)cc1N 213775463 UPYFDWPGCCMYHM-SECBINFHSA-N 293.323 0.527 10 10 CCCE CC(=O)NC1CN(C(=O)NCc2ccc(N(C)C)cc2)C1 189248134 MHDBCAAKSHSFEX-UHFFFAOYSA-N 290.367 0.783 10 10 CCCE C[C@H](C(=O)Nc1ccc(N)cc1)N(C)CC(N)=O 37268201 HBGQJMSGFIGAMS-MRVPVSSYSA-N 250.302 0.013 10 10 CCCE C[C@@H](NN1CCN(C)CC1)c1c(O)cccc1O 235206521 ICBOCCRRGQCOBJ-SNVBAGLBSA-N 251.330 0.911 10 10 CCCE CCCN(N=Nc1nonc1N)c1nonc1N 252623712 OXQWUZNPFIXIRO-UHFFFAOYSA-N 253.226 0.532 10 10 CCCE C[C@]1(C(=O)NCc2ccccc2O)CCC(=O)NC1 282829167 SBEKAJJMCNJKBL-AWEZNQCLSA-N 262.309 0.925 10 10 CCCE COc1ccc2c(c1)C[C@H](C(=O)OCC(=O)C(C)=O)CO2 808502523 KZULDFZTTGWUSI-NSHDSACASA-N 292.287 0.948 10 10 CCCE CCOC(CNC(=O)c1cc(O)nc(O)c1)OCC 701226411 POLAZLTWAJGPCE-UHFFFAOYSA-N 270.285 0.622 10 10 CCCE CCO[C@@H]1CS(=O)(=O)C[C@H]1NCc1ccccc1O 711285721 GDNORUIOEPWQTH-DGCLKSJQSA-N 285.365 0.684 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CCC(CO)CC1 1866303347 RFLYUZGJCZDASP-UHFFFAOYSA-N 267.281 0.648 10 10 CCCE CCC[C@H](NC(=O)c1cc(O)c(O)c(O)c1)C(=O)O 1865876166 VKRKDWWVCKPQLI-ZETCQYMHSA-N 269.253 0.787 10 10 CCCE C[C@H](NC(=O)NCc1c(O)cccc1F)C(=O)N(C)C 914169627 XTAACTYZDKPVSP-QMMMGPOBSA-N 283.303 0.807 10 10 CCCE O=C([C@H]1CCc2nnnn2CC1)N1Cc2cccc(O)c2C1 871205927 OBBPDNWVGWINDG-JTQLQIEISA-N 299.334 0.874 10 10 CCCE COc1cc(N)c(N(C)C(CO)CO)cc1OC 386292525 HDJGJBDOMVDMKZ-UHFFFAOYSA-N 256.302 0.075 10 10 CCCE O=C(O)C(=O)CC[C@H]1NCCc2c1ccc(O)c2O 75793595 MNVJGDIPKMHMFI-SECBINFHSA-N 265.265 0.719 10 10 CCCE Cn1cncc1[C@@H]1NCCc2c1cc(O)c(O)c2O 75819157 QUKJQXOTRLGUSD-LLVKDONJSA-N 261.281 0.772 10 10 CCCE Nc1ccc(CNC[C@@H]2CCS(=O)(=O)C2)cc1 83399588 JULBNMZTZMUPPZ-NSHDSACASA-N 254.355 0.793 10 10 CCCE O=C(c1cccc(O)c1O)N1CCC[C@H](CO)[C@H]1CO 709866315 ICOUBXGBHARBFF-MWLCHTKSSA-N 281.308 0.303 10 10 CCCE CN(C)C[C@]1(O)CCN(CCOc2ccc(N)cc2)C1 713677209 KBIQNKLCLHFZLF-OAHLLOKOSA-N 279.384 0.646 10 10 CCCE CCO[C@H]1CS(=O)(=O)C[C@H]1OCc1ccc(N)cc1 697080268 BKTTXGYLCFUWCH-QWHCGFSZSA-N 285.365 0.988 10 10 CCCE CCN[C@H]1COC[C@H]1C(=O)N(C)Cc1ccccc1O 90490521 DGMNLIHNBGWYDP-OLZOCXBDSA-N 278.352 0.975 10 10 CCCE COCC[S@](C)(=O)=NC(=O)COc1ccc(N)cc1 1918072248 NKUKEENHJFICRD-IBGZPJMESA-N 286.353 0.918 10 10 CCCE N[C@@H]1CCc2cc(N3CCC(O)(CO)CC3)ccc21 2128298777 RLGDSHKMDCPQLU-CQSZACIVSA-N 262.353 0.956 10 10 CCCE CO[C@@H]1CS(=O)(=O)C[C@@H]1OCCc1ccc(N)cc1 2119730933 QBHNPKRVUSWUCK-OLZOCXBDSA-N 285.365 0.640 10 10 CCCE NC(=O)[C@H]1COCCN1c1ccc2c(c1)CC[C@@H]2N 2128325315 QWMIFLVUKHOFJG-QWHCGFSZSA-N 261.325 0.323 10 10 CCCE C[C@H](O)[C@@H]1C[C@@H]1NC(=O)CCOc1ccc(N)cc1 2125871018 REZYPHHUMKNVSW-XDTLVQLUSA-N 264.325 0.923 10 10 CCCE NCc1ccc(N2C[C@@H]3C[C@H](C2)[C@@H](O)[C@H]3O)c(F)c1 2126149821 FAWKCLYSJDDVIO-IOQCUFBNSA-N 266.316 0.462 10 10 CCCE NCc1ccc(N2C[C@@H]3C[C@H](C2)[C@H](O)[C@@H]3O)cc1F 2126161250 HTETZAWAKLXYQZ-DHPDLVEQSA-N 266.316 0.462 10 10 CCCE C[C@@H](C(N)=O)n1cc(COc2ccc(N)cc2)nn1 2122751016 FNLYGMYWJRGWPQ-QMMMGPOBSA-N 261.285 0.486 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCN1C[C@@H](O)CN1CCCC1=O 2123004473 KCXXJVLEURMFHR-WDEREUQCSA-N 267.333 0.744 10 10 CCCE NCc1ccc(N2CC[C@@H]3OCC(=O)N[C@@H]3C2)cc1 2129058305 MYBVNNULHYYOSD-OLZOCXBDSA-N 261.325 0.239 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC[C@H](C2(O)CC2)C1 2130438344 OJLJXLQTIINNMK-VIFPVBQESA-N 264.281 0.480 10 10 CCCE Nc1ccc(NC(=O)CN2C[C@@H](O)CCC2=O)cc1 1914071525 ZAZPIOLOHVPYHR-NSHDSACASA-N 263.297 0.191 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCCN(CC(=O)N2CCNC2=O)C1 1912175984 STPFPENDFYLCNM-JTQLQIEISA-N 280.332 0.951 10 10 CCCE CN1[C@H](CN2CC[C@H](CN=[N+]=[N-])C2)CCS1(=O)=O 1912186355 COBFUTBYSIECBB-ZJUUUORDSA-N 273.362 0.653 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCN(S(=O)(=O)N2CC[C@@H](O)C2)C1 1912159933 OMZDUYXHNRKVCY-VHSXEESVSA-N 289.361 0.320 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CCn4ccnc4C3)ccc21 108865568 PBVDSEVHOZMGHR-ZDUSSCGKSA-N 269.308 0.855 10 10 CCCE CN(C1COC1)S(=O)(=O)CCOc1ccc(N)cc1 1915708559 VMJVVORRBFIYQG-UHFFFAOYSA-N 286.353 0.308 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC(F)(F)C1 1917018912 WUVMRQNHGRQNFL-QMMMGPOBSA-N 272.251 0.445 10 10 CCCE O=C1N[C@@H](C(=O)NCc2ccc3cccnc3c2O)CO1 1299724309 DHDYBGHMVOGQIX-SNVBAGLBSA-N 287.275 0.665 10 10 CCCE CN(C)C(=O)[C@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1 1468987333 FVHIGDNDPFCWNN-NSHDSACASA-N 292.335 0.577 10 10 CCCE O=C(N[C@@H](CO)[C@H]1CCOC1)c1c(F)ccc(O)c1O 1611125782 DMPCRTLIYJLMCE-CBAPKCEASA-N 285.271 0.364 10 10 CCCE Cn1ncc(CNC(=O)c2c(F)ccc(O)c2O)n1 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CN[C@H](C)c1ccc(N2C[C@@H](O)[C@H](O)C2)c(F)c1 300133458 HFKOLJKGGCXZQA-BZHVJNSISA-N 254.305 0.648 10 10 CCCE COCCN1C[C@H](O)[C@H](Oc2ccc(N)cc2)C1 2039270842 ANIJLZKAYUHHDY-QWHCGFSZSA-N 252.314 0.339 10 10 CCCE CN1CC[C@@H](NCc2ccc(F)c(F)c2O)C1=O 700723400 ZNSRXIIOMWMNTO-SECBINFHSA-N 256.252 0.991 10 10 CCCE CO[C@@]1(CO)CCN(c2ccc3c(c2)NC(=O)[C@@H]3N)C1 402939232 WSYORBSNNYMYTK-OCCSQVGLSA-N 277.324 0.226 10 10 CCCE NCc1ccc(N2CCC[C@@H](NC(N)=O)C2)c(F)c1 702145151 OZHKDFFIGDVOOZ-SNVBAGLBSA-N 266.320 0.922 10 10 CCCE CCNCc1ccc(N2C[C@@H](O)[C@H](CO)C2)c(C)c1 316942539 MYXKFXZAIZTLIO-DZGCQCFKSA-N 264.369 0.894 10 10 CCCE CN1CC(=O)N(CCCC(=O)NCCCN=[N+]=[N-])C1=O 701306887 SHAYOMZILLQQLC-UHFFFAOYSA-N 282.304 0.477 10 10 CCCE C[C@H](O)c1ccc(N2C[C@H](O)C[C@@H](O)C2)c([N+](=O)[O-])c1 2161394373 QNMWWMJIZHFPPZ-JMJZKYOTSA-N 282.296 0.580 10 10 CCCE C[C@H](c1c(O)cccc1O)N1CCN(C)[C@H](C(=O)O)C1 686104345 HQJRBDCBPVILMU-ZJUUUORDSA-N 280.324 0.859 10 10 CCCE CN[C@H](C)c1ccc(N(C)[C@H]2COC[C@H]2O)cc1O 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CN1CCCc2cc(CNC[C@H](O)C(N)=O)ccc21 228604559 PIDIEGJIHMBCBO-ZDUSSCGKSA-N 263.341 0.005 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NCCN1CCCOCC1 1633358291 ZKZBZCZLXYPQTF-UHFFFAOYSA-N 294.351 0.479 10 10 CCCE O=C(O)[C@@H]1[C@@H]2OCCN(Cc3ccc(F)cc3O)[C@@H]21 2139771194 VSUNZXFWUMNWJK-TUAOUCFPSA-N 267.256 0.815 10 10 CCCE Oc1ccc(-c2noc(C[C@H]3COCCN3)n2)cc1O 236580623 UGZIIUQYANODTB-VIFPVBQESA-N 277.280 0.679 10 10 CCCE CCOc1ccc(N2CC(=O)N[C@H](CO)C2)cc1 259207935 JJHPFMWOFPIHKU-JTQLQIEISA-N 250.298 0.382 10 10 CCCE CN(CC(CO)CO)c1ccc(CN)cc1Cl 1945268717 FJGNVKXTWFGCEN-UHFFFAOYSA-N 258.749 0.836 10 10 CCCE COCC(O)(CNCc1ccccc1O)COC 1875693469 LWJBUOYVHYMQEL-UHFFFAOYSA-N 255.314 0.506 10 10 CCCE C[C@@H]1[C@@H](N)CCN1C(=O)CCOc1ccc(N)cc1 1876452516 ZTVKUKVLLRATJY-MFKMUULPSA-N 263.341 0.986 10 10 CCCE CO[C@@H](C[C@H](N)Cc1ccc(O)c(O)c1)C(=O)O 1951994654 WCXAJVFCULXCKU-KCJUWKMLSA-N 255.270 0.457 10 10 CCCE O=C(c1cccc(O)c1O)N1C[C@@H]2[C@H](CCS2(=O)=O)C1 2145079717 PDRSNXPEBAWKQE-LDYMZIIASA-N 297.332 0.357 10 10 CCCE N[C@@H]1CC[C@H]2CN(C(=O)Cc3ccc(O)c(O)c3)C[C@H]12 1969137867 JTVITTNIQDGXOG-SDDRHHMPSA-N 276.336 0.836 10 10 CCCE CO[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H](CN)C1 167211578 MHNAMLSNRATYGM-UWVGGRQHSA-N 281.312 0.071 10 10 CCCE Nc1ccc(CCC(=O)N2C[C@@H](CO)C[C@H]2CO)cc1 2146081621 OUHFPYCQUYBPAI-JSGCOSHPSA-N 278.352 0.403 10 10 CCCE COc1cc(O)c([C@H](N)CCC(=O)O)cc1C(=O)O 258743204 XPXQJLUZYZDCMI-MRVPVSSYSA-N 269.253 0.964 10 10 CCCE CCNCc1ccc(N2CCOC[C@@H]2C(N)=O)cc1C 159012271 QLWSVYDQEFQIOR-CQSZACIVSA-N 277.368 0.795 10 10 CCCE Nc1ccc(O)c(CNS(=O)(=O)c2cccnc2)c1 36742812 WVJPEGVPZBBCCD-UHFFFAOYSA-N 279.321 0.848 10 10 CCCE CC1(C)CN(C(=O)c2cc(O)nc(O)c2)C[C@@H](CO)O1 163436348 ARNJNAYGFPHPQQ-VIFPVBQESA-N 282.296 0.105 10 10 CCCE CN(CCCN=[N+]=[N-])S(=O)(=O)C[C@@H]1CCC1=O 2008733390 KUTVTKKVEVNAMR-QMMMGPOBSA-N 260.319 0.928 10 10 CCCE O=C1NC(=O)[C@@H]2CN(c3ccc(CO)c(Cl)c3)CC[C@H]12 2158788632 CQIGYRJPNVHOBB-WDEREUQCSA-N 294.738 0.931 10 10 CCCE NCc1ccc(N2C[C@H]3CS(=O)(=O)C[C@H]3C2)cc1 2027585477 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689274543 ILFQVDZUNFUSID-HZMBPMFUSA-N 262.309 0.800 10 10 CCCE CCNC(=O)[C@H]1CNCCN1c1ccc(OC)cc1F 2162647576 RBSWKNZUDFWCIQ-CYBMUJFWSA-N 281.331 0.749 10 10 CCCE C[C@H]1CNCC[C@H]1NC(=O)c1cc(O)nc(O)c1 389795872 UFCRCDNHWLAHQP-IONNQARKSA-N 251.286 0.221 10 10 CCCE C[C@H]1[C@@H](CO)CCN1CC(=O)N(C)c1ccc(N)cc1 385931911 UXAKLDKRLWJJOY-NWDGAFQWSA-N 277.368 0.934 10 10 CCCE C[C@@](NCCN=[N+]=[N-])(C(N)=O)[C@@H]1C[C@H]2CC[C@H]1O2 386670136 NWUSPQRWFZWVNJ-CDLYGTGVSA-N 253.306 0.698 10 10 CCCE C[C@@H](O)[C@@H](C)NC(=O)c1ccn(-c2ccc(N)cc2)n1 386985169 JDUPEWYJOAGUPZ-NXEZZACHSA-N 274.324 0.954 10 10 CCCE C[C@@H]1CN(C)C[C@@H]1NCc1ccc(O)c(O)c1O 722284957 MILNQYXCEYYTDW-SCZZXKLOSA-N 252.314 0.843 10 10 CCCE Cc1cnn(C)c1CNS(=O)(=O)Cc1ccc(N)cc1 394109920 IOFKYLSFXVTXON-UHFFFAOYSA-N 294.380 0.930 10 10 CCCE O=C1Nc2cc(N3C[C@H]4C[C@@H](O)[C@H]3C4)c(F)cc2[C@@H]1O 2177183316 HQZSQKFNFGLGHJ-GNNHTFIESA-N 278.283 0.771 10 10 CCCE C[C@@H](c1c(O)cccc1O)N1CCC(O)(CN)CC1 397043428 SWERVUQTKXQMEE-JTQLQIEISA-N 266.341 0.944 10 10 CCCE CCNCc1ccc(N2CCOC[C@@H](O)C2)cc1 399999215 UXDWWTNWLXQPCO-AWEZNQCLSA-N 250.342 0.994 10 10 CCCE C[C@H](N)c1ccc(N2CC[C@@]3(CNC(=O)N3)C2)cc1O 2177692372 VYLMPYZQPPAKQT-LKFCYVNXSA-N 276.340 0.674 10 10 CCCE O=C(NC[C@H]1[C@@H]2CS(=O)(=O)C[C@H]12)c1cccc(O)c1O 2174621268 FFNIPQAPHDPXAD-OWUUHHOZSA-N 297.332 0.118 10 10 CCCE CN(C)CCCOC(=O)[C@H](N)Cc1ccc(O)c(O)c1 2175877132 QZTFULUEDUYUSZ-LLVKDONJSA-N 282.340 0.463 10 10 CCCE O=C1CCN(C(=O)c2cc(O)c(O)c(O)c2)CCCN1 2188918867 IJCMESPZSPLCTR-UHFFFAOYSA-N 280.280 0.156 10 10 CCCE CCN1CCc2cc(C3(O)CS(=O)(=O)C3)ccc21 2044712552 BYUSLNUHOQYWPY-UHFFFAOYSA-N 267.350 0.685 10 10 CCCE COCc1ocnc1[C@H](NCCN=[N+]=[N-])C(=O)O 2052711669 OLFXBUTYWDXZEZ-QMMMGPOBSA-N 255.234 0.847 10 10 CCCE CN(C[C@@H]1CCN1C)C(=O)c1ccc(O)c(O)c1 2066401155 BOBVTPBWHWVGCC-JTQLQIEISA-N 250.298 0.874 10 10 CCCE Nc1ccc(OCCC(=O)NC[C@]2(F)C[C@@H](N)C2)cc1 2191761296 MLLOMFMGOJBKPO-VDISTLRHSA-N 281.331 0.983 10 10 CCCE C[C@H](C(=O)O)N(C)C(=O)c1cc(O)c(O)c(O)c1 2068565404 BOFBGEWKJDHMQL-RXMQYKEDSA-N 255.226 0.349 10 10 CCCE Nc1ccc(OCC(=O)NCC[C@H]2CNCCO2)cc1 2191899402 WZJPPEMOVNAWGZ-ZDUSSCGKSA-N 279.340 0.142 10 10 CCCE COc1ccc([C@@H](NCCN=[N+]=[N-])C(N)=O)c(C)n1 2100828713 BWWUMEGQDZDGIM-SNVBAGLBSA-N 264.289 0.825 10 10 CCCE CN1CCC[C@H](OC(=O)Cc2ccc(N)cc2)C1=O 2101123314 IJEFYCSCMIUSDP-LBPRGKRZSA-N 262.309 0.975 10 10 CCCE O=S(=O)(NCCNCc1ccc(O)cc1O)C(F)F 2103308179 VXTNIGMTALVABV-UHFFFAOYSA-N 296.295 0.329 10 10 CCCE NS(=O)(=O)C1(CNCc2c(O)cccc2F)CCC1 2104480235 QBJHFFXOWUBAQF-UHFFFAOYSA-N 288.344 0.832 10 10 CCCE Nc1ccc(OCC(=O)N[C@@H]2C[C@@H]3COC[C@@H]32)cc1 2087577835 IDHKDDMEWSXRCV-JIMOISOXSA-N 262.309 0.799 10 10 CCCE CC[C@@H]1C[C@H](NC)CN1C(=O)c1cc(O)nc(O)c1 2088869283 XFGUCGGFXMOXMY-VHSXEESVSA-N 265.313 0.705 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@H](CO)CC2CC2)cc1 2090433754 CKPNLWRHTKQNCZ-ZDUSSCGKSA-N 284.381 0.849 10 10 CCCE Cc1nccc(Cn2ccc3c(c2=O)CNCC3)n1 2094406189 CUKMGJMBBXEWPW-UHFFFAOYSA-N 256.309 0.641 10 10 CCCE Nc1ccc(NC(=O)CCN2CC(CCO)C2)cc1 2095988370 JLWHYMFGKUITGQ-UHFFFAOYSA-N 263.341 0.912 10 10 CCCE NC(=O)[C@@H]1[C@H]2CN(c3ccc(C=CC(=O)O)cc3)C[C@H]21 2201260475 PWMKFMASUORRDR-IMRBUKKESA-N 272.304 0.952 10 10 CCCE CN(C(=O)Cc1ccc(O)c(O)c1)[C@H]1C[C@@H](O)C1 2217533920 MXUUERCMDBYMHR-AOOOYVTPSA-N 251.282 0.622 10 10 CCCE Nc1ccc(NC(=O)N[C@@H]2CCC[C@@H](O)[C@H]2O)cc1 2224341828 HWARBTCPISHNSE-UTUOFQBUSA-N 265.313 0.665 10 10 CCCE COc1cc(N2CCC[C@@H](NC(N)=O)C2)ccc1CN 2234435723 GGDNEPYNZAAGMZ-LLVKDONJSA-N 278.356 0.791 10 10 CCCE COc1ccc(N2CC[C@](C)(O)[C@](C)(O)C2)c(CO)c1 2235965396 ZTXIVBBBNSQOIA-LSDHHAIUSA-N 281.352 0.900 10 10 CCCE O=C(N[C@@H]1CNC[C@@H](F)C1)c1cc(O)c(O)c(O)c1 2226272093 DSDNFXOMJRXVJM-YUMQZZPRSA-N 270.260 0.233 10 10 CCCE COc1ccc(N(C)[C@H]2CC(=O)N(C)C2)c(CO)c1 2227710564 GWPHAXAUCQYICM-NSHDSACASA-N 264.325 0.854 10 10 CCCE CSc1ncc(CN=c2nc(C(=O)O)n(C)[nH]2)s1 2256957912 GCNQOEWWLRZNPD-UHFFFAOYSA-N 285.354 0.726 10 10 CCCE Cc1cc(N2C[C@@H](O)C[C@H](O)C2)ccc1[C@@H](C)O 2257465595 PKCLKMNDQXTUIF-WXHSDQCUSA-N 251.326 0.980 10 10 CCCE CSc1ncc(CNC(=O)C(C)(CO)CO)s1 2248613967 PQWNIAOEEWKJPZ-UHFFFAOYSA-N 276.383 0.472 10 10 CCCE CO[C@H](C(=O)O)C(=O)NCc1cnc(SC)s1 2248614194 ANMALVHOIIFPPG-LURJTMIESA-N 276.339 0.581 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H]2C[C@H](C1)[C@@H]2O 2270679610 CABUABOBNGDJAW-VROVMSAKSA-N 265.265 0.256 10 10 CCCE CO[C@H]1C[C@@H](NC(=O)NCc2cc(N)ccc2O)C1 2265429036 OIXMLZUSJIWNSY-PHIMTYICSA-N 265.313 0.951 10 10 CCCE C[C@H](O)CN(CCN)c1ccc2c(c1)OCCCO2 2269810914 JVJLINXCNDUBHP-NSHDSACASA-N 266.341 0.994 10 10 CCCE Cc1cccc(CNC(=O)[C@@H](N)[C@H](O)C(F)(F)F)c1O 2280091749 UBEJYNCGVFYFTI-WPRPVWTQSA-N 292.257 0.567 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CC[C@@H]3[C@@H](O)CO)c(Cl)cc21 2286213408 RNPUIINSCIHILT-USWWRNFRSA-N 297.742 0.224 10 10 CCCE CCN(CCN=[N+]=[N-])C(=O)CN1CSCC1=O 2300526784 XBKLMBKITRIANV-UHFFFAOYSA-N 257.319 0.678 10 10 CCCE CNCc1ccc(N2C[C@@H]3C[C@H]2[C@H](O)[C@H]3O)c(Cl)c1 2329331305 ZSDVEKVIERGCSL-HBEIAFGSSA-N 282.771 0.990 10 10 CCCE O=C(N[C@H]1C[C@@H](CO)[C@H]2C[C@H]12)c1ccc(O)c(O)c1 2329880750 YWIJIQBMOIZORU-VLEAKVRGSA-N 263.293 0.845 10 10 CCCE Nc1ccc(CCN2CC[C@@H]3C[C@H]2[C@@H](O)[C@H]3O)cc1 2332589624 ZJXINJOPTFWSGH-UQOMUDLDSA-N 262.353 0.627 10 10 CCCE CN(C)C[C@H](O)CN1CCc2cc(O)c(O)cc2C1 2341216616 NRIYJHOFARJHJY-LBPRGKRZSA-N 266.341 0.378 10 10 CCCE COC[C@@H]1[C@H](O)[C@@H](O)CN1CCCc1ccc(N)cc1 2234065161 JEWIFQYAKONECQ-ILXRZTDVSA-N 280.368 0.254 10 10 CCCE C[C@H](NC1CCN(CC(N)=O)CC1)c1ccc(O)cc1O 37140537 KZOLLXFLZDUAGO-JTQLQIEISA-N 293.367 0.698 10 10 CCCE NC(=O)[C@H]1CCCN(C[C@@H](O)COc2ccc(N)cc2)C1 36985199 IHEUDYTVDIKJDK-WCQYABFASA-N 293.367 0.206 10 10 CCCE COc1cc(N2CCO[C@H](CO)C2)c([N+](=O)[O-])cc1OC 213724172 ZZAJRYUJYPTLHP-VIFPVBQESA-N 298.295 0.810 10 10 CCCE C[C@@H](N)c1ccc(N2CCS(=O)(=O)CC2)cc1 36162035 ZMHRNYUIQAOHRM-SNVBAGLBSA-N 254.355 0.941 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CCCCC[C@@H]1CO 134167571 XDOHWXHKQHSERH-SNVBAGLBSA-N 266.297 0.870 10 10 CCCE CN(C)c1noc(CNCc2cc3c(cc2O)OCO3)n1 191901983 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C[C@@H](Oc1ccc(N)cc1)C(=O)NCCC(=O)O 1860080957 USSRATHASCLJLA-MRVPVSSYSA-N 252.270 0.627 10 10 CCCE COc1ccc(N2CCNC(=O)[C@H]2CO)c(OC)c1 217171319 ATRFNSAHSZZDMQ-LLVKDONJSA-N 266.297 0.001 10 10 CCCE C[C@@H](N)[C@@H]1CN(C(=O)c2ccc(O)c(O)c2)CCO1 235182227 NPXREPOOUFVBSG-PELKAZGASA-N 266.297 0.286 10 10 CCCE CN(CC1(N)CC1)C(=O)Cc1ccc(O)c(O)c1 1875921249 WNMWJKWJSDZWJR-UHFFFAOYSA-N 250.298 0.590 10 10 CCCE Nc1ccc(NC(=O)NC[C@@H]2C[C@@H](O)CCO2)cc1 1876149295 LZTKLVPVERVACF-RYUDHWBXSA-N 265.313 0.930 10 10 CCCE C[C@@H]1CN[C@@H](C(=O)N[C@H](C)c2ccccc2O)CO1 1877584081 AHZBBCUTIVWDIL-CKYFFXLPSA-N 264.325 0.946 10 10 CCCE CCNC(=O)C1(NC(=O)c2cccc(O)c2O)CC1 1965226287 FSTJNIXDSWSJGM-UHFFFAOYSA-N 264.281 0.496 10 10 CCCE N[C@@H]1CC[C@@]12C[C@H]2C(=O)NCCc1ccc(O)c(O)c1 1968738715 DOEVYLNXLKGPAM-ZBINZKHDSA-N 276.336 0.884 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CC[C@H]2C[C@H]1CN2 1971863284 QBLYOTPVBSEIEY-SDDRHHMPSA-N 276.336 0.897 10 10 CCCE COc1cccc(CN2CC[C@H](OCCN)C2)c1O 1972828021 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10 10 CCCE Oc1nc(O)c2nc(-c3cc(O)c(O)c(O)c3)[nH]c2n1 2188911843 GBDAVRIKZIQKDO-UHFFFAOYSA-N 276.208 0.548 10 10 CCCE Nc1ccc(OCCN2CC[C@H]3C[C@H]2[C@H](O)[C@@H]3O)cc1 2199531283 JFHHPGQCFNMJMG-HPEDKQMDSA-N 278.352 0.464 10 10 CCCE OCCO[C@H]1CCN(c2ccc(CO)cc2F)C1 2046679742 ORCRPKIEGNUIPN-NSHDSACASA-N 255.289 0.906 10 10 CCCE C[C@@H](N)[C@H]1CCN(c2cc3c(cc2N)OCC(=O)N3)C1 2191594001 CWCUKTDHWYAJTA-BDAKNGLRSA-N 276.340 0.773 10 10 CCCE O=C(O)CN1CC[C@@H](NCc2ccccc2O)C1 2050211701 PQZPUPXTFODOMP-LLVKDONJSA-N 250.298 0.641 10 10 CCCE NC[C@@H]1CC[S@](=O)(=NC(=O)COc2ccc(N)cc2)C1 2191674720 UBZYXAJQONWVHZ-WVDJIFEKSA-N 297.380 0.621 10 10 CCCE Nc1ccc(OCC(=O)NCC2CC3(CCN3)C2)cc1 2191760594 IWYUPJWBFHRTPP-UHFFFAOYSA-N 275.352 0.906 10 10 CCCE Nc1ccc(OCCS(=O)(=O)N2C[C@@H]3C[C@H](C2)N3)cc1 2191781275 KGRNTMHYFFHWGS-TXEJJXNPSA-N 297.380 0.024 10 10 CCCE NC[C@H]1C[C@@H](NS(=O)(=O)Cc2ccc(N)cc2)CCO1 2191701627 HXTGLKJBTYNAOF-QWHCGFSZSA-N 299.396 0.195 10 10 CCCE NC(=O)c1cccc(N)c1N[C@@H]1[C@H]2C[C@@H]3CN[C@H]1[C@H]3C2 2191738421 LGVILAZBBOYENB-NOLPDVIXSA-N 272.352 0.776 10 10 CCCE CN(C[C@@H]1CNCCO1)S(=O)(=O)Cc1ccc(N)cc1 2191763421 IHDGMQRRNPSIGI-ZDUSSCGKSA-N 299.396 0.019 10 10 CCCE C[C@@H](F)CS(=O)(=O)NCCc1ccc(O)c(O)c1 2057399168 IBOWQTSWRDYKIN-MRVPVSSYSA-N 277.317 0.918 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC[C@H](O)[C@H]2C2CC2)cc1 2187153934 JTVQYBMRCAWYIC-UONOGXRCSA-N 296.392 0.944 10 10 CCCE C[C@@H](c1cc(F)ccc1O)N1C[C@H](O)C[C@H]1CN 2060807337 NOIIJMAXVSIBBG-INTQDDNPSA-N 254.305 0.986 10 10 CCCE Nc1ccc(O)c(CN2CC[C@H](O)C[C@H]2CO)c1 2080491448 HEDSHNQIFNXVNJ-RYUDHWBXSA-N 252.314 0.292 10 10 CCCE O=C(NC[C@@H]1CC(F)(F)CN1)c1cc(O)nc(O)c1 2102806996 OVKKGUVMFWNUKL-ZETCQYMHSA-N 273.239 0.220 10 10 CCCE CNCCCn1nnnc1C1=S=Nc2ccccc21 2103704308 QQUVGDPHKOWRKI-UHFFFAOYSA-N 274.353 0.763 10 10 CCCE O=C(O)COC1CN(Cc2ccc(F)cc2O)C1 2084072170 QFWKZTRIWFWKJL-UHFFFAOYSA-N 255.245 0.817 10 10 CCCE c1cc2c(cc1N1CC(N3CCNCC3)C1)CCO2 2106343694 GFGAKEXFUDEIJT-UHFFFAOYSA-N 259.353 0.715 10 10 CCCE Nc1ccc(CCC(=O)N[C@@H]2C[C@H](O)C[C@@H]2O)cc1 2108804841 VFLBADKNWSTRQV-XQQFMLRXSA-N 264.325 0.202 10 10 CCCE C[C@H](N)c1ccc(N2C[C@H](O)[C@@H](N(C)C)C2)cc1O 2089925489 CURYILPUQFSQRJ-WFBYXXMGSA-N 265.357 0.523 10 10 CCCE C[C@@H]1C[C@H]1N(CCO)S(=O)(=O)Cc1ccc(N)cc1 2110795282 SMTVBLBEDAKWFV-ZWNOBZJWSA-N 284.381 0.801 10 10 CCCE CS(=O)(=O)N1CCC[C@@H](NCc2ccc(N)cc2)C1 2092520836 GWECYWKXRMDDEJ-CYBMUJFWSA-N 283.397 0.782 10 10 CCCE Cc1cc(N2C[C@@H](CO)[C@H](CCO)C2)ccc1CO 2093502296 XGMGSBHQDHSCEN-OCCSQVGLSA-N 265.353 0.914 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CC(N4CCC4)C3)ccc21 2095924578 TWVJJDMXCNZLKY-ZDUSSCGKSA-N 258.325 0.533 10 10 CCCE Cc1cccc(CNS(=O)(=O)C2CC(C(=O)O)C2)c1O 2204611085 SDPLPRDCMACIPM-UHFFFAOYSA-N 299.348 0.983 10 10 CCCE CN(C)C[C@H]1COC[C@H]1NC(=O)c1cccc(O)c1O 2206395608 YTLUCRCNUJDTOA-GXSJLCMTSA-N 280.324 0.404 10 10 CCCE COc1ccc(N2CCOC[C@H]2CO)c(C=O)c1 2220431675 KLBWIPDAXCWLFI-LLVKDONJSA-N 251.282 0.705 10 10 CCCE COc1ccc(N2CCOC[C@H]2[C@@H](O)CO)c(C=O)c1 2235982999 JREPEZTYLCABOR-KBPBESRZSA-N 281.308 0.066 10 10 CCCE CNCc1cc(OC)ccc1N1CC(CS(C)(=O)=O)C1 2235963047 KOUGPLLVDVENCE-UHFFFAOYSA-N 298.408 0.895 10 10 CCCE Cc1cc([C@H](C)N)ccc1N1CCN(CC(N)=O)CC1 2240846647 NRZIXVSWRYFFDJ-LBPRGKRZSA-N 276.384 0.622 10 10 CCCE O=C(CN[C@H]1CCOC1)NCc1ccccc1O 2259867434 UMCIQFKMIFFOCZ-NSHDSACASA-N 250.298 0.387 10 10 CCCE COc1ccc(N(C)C[C@@H](O)CN2CCNCC2)cc1 2279037563 JGZKAISPIJALPS-CQSZACIVSA-N 279.384 0.398 10 10 CCCE O=C(NC12COC(C(=O)O)(C1)C2)c1cccc(O)c1O 2280674353 BUSRRCLUIQBYBD-UHFFFAOYSA-N 279.248 0.214 10 10 CCCE COc1cc(OC)c(N2CC[C@@H]2[C@@H](O)CO)cc1OC 2289445158 BYYLFNYXZUQZIC-KOLCDFICSA-N 283.324 0.644 10 10 CCCE CCN1CN(C(=O)C=Cc2ccc(O)c(O)c2)CC1=O 2311696025 HXSVRPQHHACHLL-UHFFFAOYSA-N 276.292 0.759 10 10 CCCE C[C@@H](O)[C@@H]1C[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2310732913 OKMVKQUJIKDOJV-MHSYXAOVSA-N 253.254 0.303 10 10 CCCE [N-]=[N+]=NCCCN[C@]1(C(N)=O)C[C@H]2[C@@H]1[C@@H]1CC[C@H]2O1 2331794151 WHGIZCCXIKLRNP-WSOSLHDDSA-N 265.317 0.698 10 10 CCCE CNC(=O)CN(C)c1cc2c(cc1N)OCCO2 37270767 VAMARDAYTHSMTE-UHFFFAOYSA-N 251.286 0.222 10 10 CCCE CN(CCCCCO)C(=O)c1cc(O)nc(O)c1 227093682 UQYKZRKHVRSTLQ-UHFFFAOYSA-N 254.286 0.727 10 10 CCCE O=S1(=O)CCN[C@@H](c2cc(F)cc(F)c2O)C1 1952755206 NYBAUOCMMXDCKB-SECBINFHSA-N 263.265 0.730 10 10 CCCE CN[C@@H]1COC[C@@H]1C(=O)N(C)Cc1ccccc1O 90435551 PTGWGIJLTDBKDS-NWDGAFQWSA-N 264.325 0.585 10 10 CCCE C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2O)C[C@@H](CO)O1 249259249 HRMZGUHGGLDCOZ-SKDRFNHKSA-N 282.296 0.882 10 10 CCCE COc1cc2c(cc1OC)N1CCNC[C@@H]1CN2C 606604221 ZHBGJYQDINACJZ-SNVBAGLBSA-N 263.341 0.932 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1C[C@H]2C[C@H](O)C[C@H]1C2 709829423 BJQRVCRPHDWXKJ-QNSHHTMESA-N 264.281 0.478 10 10 CCCE Cn1ncc(CNC(=O)NCc2ccccc2O)n1 805997830 GBYOTSOVVTWCJG-UHFFFAOYSA-N 261.285 0.520 10 10 CCCE COc1ccc(C(=O)OCC(=O)C(C)=O)cc1O 808522292 DIENAJIYORWZLC-UHFFFAOYSA-N 252.222 0.716 10 10 CCCE COc1ccc(O)c(CNC(=O)[C@@]2(C)C[C@@H](O)CN2C)c1 822304679 SRNZSXYQFLCODI-IAQYHMDHSA-N 294.351 0.472 10 10 CCCE CCN(C(=O)c1c[nH]nc1[C@H]1CCNC1)c1cnn(C)c1 662830181 APOZFRWJSBTWIW-JTQLQIEISA-N 288.355 0.887 10 10 CCCE CN(C)c1ccc([C@@H](N)CNC(=O)C[C@H]2CCNC2)cc1 832272638 HXVNHYCJDPYVAQ-DOMZBBRYSA-N 290.411 0.868 10 10 CCCE Cn1ncc(CCC(=O)NCc2c(O)cccc2F)n1 928706218 OXGSTHVQRCQSAS-UHFFFAOYSA-N 278.287 0.909 10 10 CCCE COc1ccc(N2CC[C@@H](NC(=O)c3cnn[nH]3)C2)cc1 855230420 DAYJFFBIDBNNEP-SNVBAGLBSA-N 287.323 0.822 10 10 CCCE Cc1ccc(O)c(CNC(=O)Cc2cnnn2C)c1 862754936 LTAAPUPMPVXHIV-UHFFFAOYSA-N 260.297 0.688 10 10 CCCE CC(=O)C(=O)COC(=O)Cn1ncc2cccnc21 873433781 NHJWGAQUBFZIBR-UHFFFAOYSA-N 261.237 0.133 10 10 CCCE CCC(CO)(CO)NCc1ccc(OC)cc1O 218107884 QLENNSQTDFEVMC-UHFFFAOYSA-N 255.314 0.624 10 10 CCCE CC(=O)N[C@@H](C)[C@H]1NCCc2c1ccc(O)c2O 75794503 BHGLHWAZQUECAX-JVXZTZIISA-N 250.298 0.809 10 10 CCCE Cc1cc(N2CCN(CC(N)=O)CC2)ccc1CN 700774632 RLAAWAMOHBLTDL-UHFFFAOYSA-N 262.357 0.061 10 10 CCCE COc1ccc(N2CCN(C(C)=O)CC2)cc1CN 84161818 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O=C(N[C@@H]1C[C@@H]2NCC[C@H]21)c1cc(O)c(O)c(O)c1 2132410524 NNPXBMUOQFFQBY-HRDYMLBCSA-N 264.281 0.284 10 10 CCCE O=C(NC[C@]12CNC[C@H]1C2)c1cc(O)c(O)c(O)c1 2132418238 IDWRGLXRLPUGKY-OQPBUACISA-N 264.281 0.143 10 10 CCCE CN(Cc1ccc(N)cc1)C(=O)c1cc(O)nn1C 1913094778 WEMHBRJWKMPHGN-UHFFFAOYSA-N 260.297 0.980 10 10 CCCE CN(CCN=[N+]=[N-])C(=O)COc1ccccc1C(N)=O 1912144330 ROYQIMKGQGFUEF-UHFFFAOYSA-N 277.284 0.933 10 10 CCCE CN(CCCN=[N+]=[N-])C(=O)Cn1ccc(O)nc1=O 1912210696 MRNUKKIVJLEFKK-UHFFFAOYSA-N 266.261 0.108 10 10 CCCE CNCc1ccc(N2CCO[C@@H](CO)C2)cc1C 168225243 CXIBUTQMUJDMOU-CQSZACIVSA-N 250.342 0.912 10 10 CCCE COC(=O)[C@H]1COCCN1C(=O)Cc1ccc(O)c(O)c1 1445164164 UWTCBTSJVRISOS-SNVBAGLBSA-N 295.291 0.041 10 10 CCCE Nc1cc2c(cc1N1CC3(CCOC3)C1)NC(=O)CO2 1915826040 LMWLFJADMNYFAA-UHFFFAOYSA-N 275.308 0.826 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H](CO)C1CCC1 1453312013 MVFKPOORAUQTOQ-NSHDSACASA-N 265.309 0.918 10 10 CCCE C[C@H](N)c1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)c(Cl)c1 2136341169 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NCC[C@H]1CCN(C(=O)COc2ccc(N)cc2)C1 1876494764 GCMXRQKHKRKKII-NSHDSACASA-N 263.341 0.845 10 10 CCCE CN=c1nc(C)nc(N(C)Cc2ccccc2O)[nH]1 1877545171 MLTYKNRVGMLGHZ-UHFFFAOYSA-N 259.313 0.986 10 10 CCCE C[C@@H](N)c1cc(F)c(N2C[C@@H](O)C[C@H](O)C2)c(F)c1 1880926812 JOLMHHPTHVVQHN-JEZHCXPESA-N 272.295 0.916 10 10 CCCE CN1CCN[C@H](c2cc([N+](=O)[O-])ccc2O)C1=O 1951874149 XGPQPRSWQHISHZ-SNVBAGLBSA-N 251.242 0.403 10 10 CCCE CNC1(C(=O)NCCc2ccc(O)c(O)c2)CCC1 1968739554 SHEBVDDYKXZAOW-UHFFFAOYSA-N 264.325 0.899 10 10 CCCE C[C@@H](C(=O)Nc1ccc(N)cc1)N1CCNC(=O)C1 22153064 CHFFWZOQSDDRKZ-VIFPVBQESA-N 262.313 0.028 10 10 CCCE CN(C[C@@H]1COCCN1)C(=O)Cc1ccc(O)c(O)c1 1971095447 GWRIUIPQOZVUIH-LLVKDONJSA-N 280.324 0.087 10 10 CCCE Nc1ccc(CC(=O)NCCN2CCCNCC2)cc1 1971236542 BQNYTRKZBDNKMU-UHFFFAOYSA-N 276.384 0.223 10 10 CCCE C[C@H](c1ccc(F)cc1O)N1C[C@@H](N)C[C@@H](C(N)=O)C1 2151020218 AYINLUZZQQWYTG-KKZNHRDASA-N 281.331 0.727 10 10 CCCE COC(=O)[C@H](C)S(=O)(=O)NCCc1ccc(N)cc1 49063492 KIDYVEYZAQDSIP-VIFPVBQESA-N 286.353 0.292 10 10 CCCE CSC[C@H](N)C(=O)NCCc1ccc(O)c(O)c1 2040090223 HXDHNKJSNGRMJG-VIFPVBQESA-N 270.354 0.447 10 10 CCCE Cn1cnc(CCNS(=O)(=O)Cc2ccc(N)cc2)c1 313287398 WSQDLTWDHHSKEE-UHFFFAOYSA-N 294.380 0.664 10 10 CCCE O=C(N[C@H]1CCOC[C@@H]1C(=O)O)c1ccc(O)c(O)c1 2176121788 XKEIMXUCIPGHAF-IUCAKERBSA-N 281.264 0.317 10 10 CCCE Cc1c(NCc2ccc(O)c(O)c2O)nnn1C 701839082 VLQHILUPDJAFDO-UHFFFAOYSA-N 250.258 0.852 10 10 CCCE C[C@@H](N)c1ccc(N2CCN(C)C[C@H]2CO)cc1O 703807371 UPZQEWXRBFECDR-PWSUYJOCSA-N 265.357 0.525 10 10 CCCE Cn1cc(C(=O)NCCCCN=[N+]=[N-])n(C)c1=O 710421171 FGCHCVQABRUYSD-UHFFFAOYSA-N 252.278 0.544 10 10 CCCE COC[C@@H](ON)C(=O)N(C)[C@@H](C)c1ccccc1O 710481182 SDXAJGCUYQFLBS-JOYOIKCWSA-N 268.313 0.817 10 10 CCCE CN(C)c1ccc(CN[C@@H]2COCC[C@H]2O)cc1 710880565 SURSRMLYLXPOIP-ZIAGYGMSSA-N 250.342 0.992 10 10 CCCE Cn1nccc1S(=O)(=O)N1CCC[C@H]1CN=[N+]=[N-] 692806599 NNEYEOWBENGASU-QMMMGPOBSA-N 270.318 0.884 10 10 CCCE CCn1cc([C@@H](NCCCN=[N+]=[N-])C(N)=O)nn1 714415568 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0.443 10 10 CCCE O=C(O)[C@@H]1CC=CCN1C(=O)c1cc(O)c(O)c(O)c1 2188876153 YCGFSFLTPWMTIH-QMMMGPOBSA-N 279.248 0.659 10 10 CCCE COC(=O)CN(C)C(=O)NCc1ccccc1O 2045104576 NZSABQBWECPPDN-UHFFFAOYSA-N 252.270 0.707 10 10 CCCE Nc1cccc(C(=O)O)c1N[C@H]1COC[C@@H]1CO 2046435332 DYSWYSUPPUOOPM-XVKPBYJWSA-N 252.270 0.386 10 10 CCCE N[C@@]12CCC[C@H]1CN(C(=O)c1cc(O)c(O)c(O)c1)C2 2198092987 WCROBOWLNGIXJF-LKFCYVNXSA-N 278.308 0.757 10 10 CCCE C[S@@](=O)(CC1CNC1)=NC(=O)COc1ccc(N)cc1 2191650554 BDDVEALIUCBMRE-HXUWFJFHSA-N 297.380 0.491 10 10 CCCE NC[C@@H]1CC[C@@H]1NS(=O)(=O)CCOc1ccc(N)cc1 2191635241 PVSPPGNPAQNPHQ-GWCFXTLKSA-N 299.396 0.304 10 10 CCCE Nc1cc2c(cc1N1C[C@@H]3CCN[C@@H]3C1)CCC(=O)N2 2191849418 OLIGKAWIYCGSNY-GXFFZTMASA-N 272.352 0.952 10 10 CCCE CN[C@@H](C)CCNC(=O)c1cc(O)c(O)c(O)c1 2068622548 YESOCBUXCMLHGQ-ZETCQYMHSA-N 254.286 0.531 10 10 CCCE CN(C)c1ccc(CNC(=O)[C@@H](N)CCO)cc1 2073220300 UCRCSUJKOBTQHB-LBPRGKRZSA-N 251.330 0.079 10 10 CCCE Cc1cc(CO)ccc1N1CC[C@H](O)[C@@](C)(O)C1 2081765332 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[N-]=[N+]=NC1CN(C(=O)[C@@H]2CC(F)(F)[C@@H]2C(=O)O)C1 2218737180 FRCFGBVTGCJSKV-RITPCOANSA-N 260.200 0.864 10 10 CCCE Nc1ccc(NC(=O)NCC[C@]2(O)CCNC2)cc1 2230136302 KKCCDDNALJEXGR-CYBMUJFWSA-N 264.329 0.505 10 10 CCCE CO[C@@H]1[C@H](OC)CN(c2ccc(CO)cc2C)[C@@H]1CO 2233357520 XZMNLWAINJLQQF-KFWWJZLASA-N 281.352 0.698 10 10 CCCE CC[C@@H](O)c1ccc(N2C[C@H](O)[C@@H](O)[C@H]2COC)cc1 2233878574 HWTJAMMBXBRANN-KBXIAJHMSA-N 281.352 0.687 10 10 CCCE CC1CC(NCc2ccc(O)cc2O)(C(N)=O)C1 2223868292 POWKOZFBMOAQTN-UHFFFAOYSA-N 250.298 0.841 10 10 CCCE O[C@@H]1CN(c2ccc3c(c2)OCCCO3)[C@@H](CF)[C@H]1O 2235114837 GMUZNXGREBBYLY-MISXGVKJSA-N 283.299 0.728 10 10 CCCE CCCNCc1cc(OC)ccc1N1C[C@@H](O)[C@H](O)C1 2235953516 BPOYOUGIONLPAZ-HUUCEWRRSA-N 280.368 0.737 10 10 CCCE COc1ccc(N2C[C@@H](CO)[C@H](CO)C2)cc1OC 2226805766 LBSSLJPUWKXXOF-QWRGUYRKSA-N 267.325 0.741 10 10 CCCE CNCc1cc(OC)ccc1N1CCO[C@H](CO)C1 2227680535 YADFUCDJBWXZSB-ZDUSSCGKSA-N 266.341 0.612 10 10 CCCE COc1ccc(N2CCn3cnnc3C2)c(CO)c1 2227708305 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Nc1ccc(Br)c([C@@H]2CNCCN2)c1O 95718978 XRUOODYHKGVWLY-QMMMGPOBSA-N 272.146 0.971 10 10 CCCE CC(=O)N(C(=O)NC[C@@H](C)O)c1ccc(N)cc1 243421023 MTPQUCCOYQNUTB-MRVPVSSYSA-N 251.286 0.712 10 10 CCCE NC[C@H](O)c1c(O)c(O)cc(Br)c1F 258693816 VCJITIMIDVEMRA-YFKPBYRVSA-N 266.066 0.992 10 10 CCCE N[C@H](CO)c1c(F)cc(O)c(O)c1Br 258713627 WCOJKHFIJVZYQI-SCSAIBSYSA-N 266.066 0.992 10 10 CCCE CNC(=O)CN(C)c1ccc(/C=C\C(=O)O)cc1C#N 379898539 ANRZOPXEOKOOHL-XQRVVYSFSA-N 273.292 0.838 10 10 CCCE C[C@@H]1CN(c2cc3c(cc2N)OCCO3)CC(=O)N1 386919779 PCBZJISMOINJLE-MRVPVSSYSA-N 263.297 0.365 10 10 CCCE CN(C)c1ccc([C@H](N)[C@@](C)(O)c2cn(C)nn2)cc1 2163135378 JDYLDRKRMJUANS-KBPBESRZSA-N 275.356 0.789 10 10 CCCE NC(=O)C1(N)CN(Cc2c(O)ccc3ccccc23)C1 2165767397 VWATYPHUNGXTIV-UHFFFAOYSA-N 271.320 0.544 10 10 CCCE CO[C@H]1CNC[C@@H]1S(=O)(=O)Nc1ccc(O)cc1C 722232143 ODNJEYDIOCEHHY-RYUDHWBXSA-N 286.353 0.429 10 10 CCCE CCOc1ccc(CN2CCO[C@H](CC(N)=O)C2)c(O)c1 862535649 UWZMZWFHQBOAFV-CYBMUJFWSA-N 294.351 0.867 10 10 CCCE COC(=O)C(=O)[C@H](C)OC(=O)/C=C\c1ccc(O)c(O)c1 778323581 MEJCLAMNPSZIAP-HORMHSFOSA-N 294.259 0.785 10 10 CCCE C[C@H](C(=O)N1Cc2cccc(O)c2C1)N1C(=O)CCC1=O 871199326 WJYSEQXBMCTWHP-SECBINFHSA-N 288.303 0.772 10 10 CCCE COc1cc(N2CCOCC2)ccc1[C@@H](N)CO 72199163 JVBBEHIPMHQRFC-LBPRGKRZSA-N 252.314 0.524 10 10 CCCE O=C(COC(=O)[C@H]1CCC[C@@H]1O)c1ccc(O)c(O)c1 783878395 NXCWFCJWPOOBHL-UWVGGRQHSA-N 280.276 0.985 10 10 CCCE Cn1cc(CNC(=O)/C=C\c2ccc(O)c(O)c2)nn1 783619351 UMOCSIVVVVORFP-HYXAFXHYSA-N 274.280 0.556 10 10 CCCE CC(C)(O)c1nnc([C@H](N)c2cccc(O)c2O)o1 83480925 PEGGVOWOQILVSA-MRVPVSSYSA-N 265.269 0.756 10 10 CCCE C[C@H]1CN(C(=O)c2cc(O)nc(O)c2)C[C@H]1C(=O)O 104202735 DVNRCYWAJSPCEN-POYBYMJQSA-N 266.253 0.286 10 10 CCCE C[C@@H]1CN(CC(=O)c2ccc(O)c(O)c2)CCS1(=O)=O 707565382 SGZNVNSQGDXXGP-SECBINFHSA-N 299.348 0.399 10 10 CCCE CN(Cc1cn(C)nn1)S(=O)(=O)Cc1ccc(N)cc1 689244084 SNKOOBXWDHDQFV-UHFFFAOYSA-N 295.368 0.359 10 10 CCCE CO[C@@H]1CNC[C@H]1C(=O)NCc1ccccc1O 690089249 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Nc1ccc(NC(=O)CN2CCN3CCC[C@H]3C2)cc1 249981048 GMZMWTVNVXNYKS-AWEZNQCLSA-N 274.368 0.987 10 10 CCCE CC(=O)C(=O)[C@H](O)C[C@H](C)NC(=O)OC(C)(C)C 1886449493 RKWHBCYXFGGMFI-IONNQARKSA-N 259.302 0.809 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)[C@H]1[C@H]2NCCC[C@@H]21 1968739768 WIWMJGMTTNFVNR-HONMWMINSA-N 276.336 0.755 10 10 CCCE CN[C@H](C)c1ccc(N2CCOC[C@H]2CO)cc1O 253061664 FFMOIYQXTLDKKP-ZYHUDNBSSA-N 266.341 0.870 10 10 CCCE C[C@@H]1CN(S(=O)(=O)Cc2ccc(N)cc2)CC[C@H]1O 253171135 AEIPZWRUAMNBTR-ZWNOBZJWSA-N 284.381 0.801 10 10 CCCE CN1CCc2cc(CNC[C@@H]3CCS(=O)(=O)N3)ccc21 2146199838 FKQBAZZUGQAIRF-ZDUSSCGKSA-N 295.408 0.460 10 10 CCCE NC[C@@H]1C[C@@H]2OCC[C@@H]2N1C(=O)c1ccc(O)c(O)c1 2146637913 IVXNQGISAMWNBW-KWBADKCTSA-N 278.308 0.429 10 10 CCCE O=C(NC[C@@H]1C[C@@H]2OCC[C@@H]2N1)c1ccc(O)c(O)c1 2146639854 XPXAWMQQZQYSHU-KWBADKCTSA-N 278.308 0.347 10 10 CCCE Nc1ccc(OCC(=O)OC[C@@H]2COCCCO2)cc1 2154017277 PGVKBLPPSLPLNZ-ZDUSSCGKSA-N 281.308 0.996 10 10 CCCE COC(=O)[C@]1(NCCN=[N+]=[N-])CCCO[C@@]12CCOC2 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CCN(CC(N)=O)c1ccc([C@H](C)NC)c(O)c1 723179057 PQJCEVUUVGJCCJ-VIFPVBQESA-N 251.330 0.984 10 10 CCCE Nc1ccc(OCCC(=O)N2C[C@@H]3C[C@H](C2)C3O)cc1 2172928257 NGYPZKJBIPZCBN-YWXMQNBFSA-N 276.336 0.877 10 10 CCCE CN1CCc2cc(CN[C@H]3CCO[C@@H]3C(N)=O)ccc21 2174098501 RFUVONIHIVNFQI-JSGCOSHPSA-N 275.352 0.411 10 10 CCCE C[C@@H](O)[C@@H]1CN(CC(=O)c2ccc(O)c(O)c2)CCO1 2174174841 HDEUUSKMAIEBFY-OTYXRUKQSA-N 281.308 0.362 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1C[C@@H]2[C@H](CO)CO[C@H]2C1 2178148439 UJKHZOAHWAQDST-BREBYQMCSA-N 279.292 0.177 10 10 CCCE CN1C(=O)[C@H](O)c2ccc(N3CCN(C)[C@H]4C[C@@H]43)cc21 2168391224 BFDKNSBMNGGOTR-MELADBBJSA-N 273.336 0.589 10 10 CCCE Nc1ccc(CCC(=O)N2CC(n3ccnn3)C2)cc1 2170200553 FGWZRFAULSWASN-UHFFFAOYSA-N 271.324 0.876 10 10 CCCE COc1cc(N2CCNC[C@H]2CO)cc(OC)c1OC 2181942656 KHDXOHFROKRYHM-NSHDSACASA-N 282.340 0.483 10 10 CCCE C[C@@H](C(=O)Nc1ccc(N)cc1)N1C[C@H](O)C[C@@H](O)C1 2183269266 SEVMXTKHWRBQGW-ZWKOPEQDSA-N 279.340 0.023 10 10 CCCE O=C(NC1CC(n2cnnc2)C1)c1ccc(O)c(O)c1 2184079300 BRVVYGBAJMQNMD-UHFFFAOYSA-N 274.280 0.823 10 10 CCCE O[C@H]1C[C@H]2CN(c3ccc4c(c3)CC[C@H]4O)CCN2C1 2184732756 BPHOTKLVEYJXHQ-OFQRWUPVSA-N 274.364 0.921 10 10 CCCE C[C@@H](O)c1ccc(N2C[C@@H](O)C[C@@H](O)C2)c(F)c1 2043181691 JSWBQSMMYWLEPJ-IEBDPFPHSA-N 255.289 0.811 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3C[C@H]4C[C@H](O)C[C@H]4C3)ccc21 2185190822 SBCTXPBRGALYLW-OCYKMNHNSA-N 273.336 0.846 10 10 CCCE C[C@@H](N)[C@]1(C)CCN1C(=O)c1cc(O)nc(O)c1 2045162605 OZVCXDGYYXQMBF-KRTXAFLBSA-N 251.286 0.445 10 10 CCCE COC(=O)NCCCNCc1ccc(O)cc1O 2055418968 MNJYKFUBZMNEHV-UHFFFAOYSA-N 254.286 0.934 10 10 CCCE CN[C@H]1CCN(S(=O)(=O)CCOc2ccc(N)cc2)C1 2191536536 RYIBGDRRYIFTIX-LBPRGKRZSA-N 299.396 0.271 10 10 CCCE N=c1ccc(S(=O)(=O)NCCc2ccc(N)cc2)c[nH]1 2191645113 SJBOKSJYKLNWTE-UHFFFAOYSA-N 292.364 0.597 10 10 CCCE CN(C(=O)c1cc(O)c(O)c(O)c1)[C@H]1C[C@H](O)C1 2068576319 IMRXCZNCROHTCT-ZKCHVHJHSA-N 253.254 0.399 10 10 CCCE CNC[C@H](C)N(C)C(=O)COc1ccc(N)cc1 2071674642 IBRPASGFHHLIJG-JTQLQIEISA-N 251.330 0.714 10 10 CCCE CCN[C@@H](C)CNC(=O)COc1ccc(N)cc1 2071721738 WTVSTLMCKFCTKB-JTQLQIEISA-N 251.330 0.762 10 10 CCCE C[C@H](c1ccccc1O)N(C)C[C@@]1(O)CNCCOC1 2192570525 SDRPJJXNFIYNAE-DOMZBBRYSA-N 280.368 0.736 10 10 CCCE C[C@@H](O)CN(C[C@@H](C)O)C(=O)c1cccc(O)c1O 2103483096 BFEXMEDJJPASMJ-RKDXNWHRSA-N 269.297 0.302 10 10 CCCE CN[C@H](C)c1ccc(N2C[C@H]3C[C@H]2[C@@H](O)[C@H]3O)cc1 2104423880 LTOUUONLLXERMU-WILSYORHSA-N 262.353 0.897 10 10 CCCE CC1(C)[C@H](NC(=O)c2cccc(O)c2O)[C@@H]1C(=O)O 2104623501 BIOAJPCEZSIEQW-PSASIEDQSA-N 265.265 0.937 10 10 CCCE C[C@H]1CNCCN1S(=O)(=O)NCc1ccccc1O 2105932963 WATDZUJTMFVOGB-JTQLQIEISA-N 285.369 0.020 10 10 CCCE CN(C)c1ccc2c(c1)OCCN2CCS(C)(=O)=O 2087048190 PKNVMSZOWNCQOK-UHFFFAOYSA-N 284.381 0.996 10 10 CCCE Nc1ccc(O)c(CNC(=O)CCc2cn[nH]c2)c1 2088316657 PYNWXYIFWJLFCA-UHFFFAOYSA-N 260.297 0.947 10 10 CCCE CCS(=O)(=O)NC1CN(c2ccc([C@H](C)N)cc2)C1 2109289744 CUFHATCJHVVXJT-JTQLQIEISA-N 283.397 0.834 10 10 CCCE CC(C)(F)CNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 2109639184 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CCCE CNCc1cc(OC)ccc1N1CCC[C@@H]1[C@H](O)CO 2235954004 JERRQGONENIITR-HUUCEWRRSA-N 280.368 0.737 10 10 CCCE COc1ccc(N2C[C@H]3C[C@@H](O)[C@@H](O)C[C@H]3C2)c(N)c1 2236972389 KFNRZJCRYCOJPT-LMHVJCSRSA-N 278.352 0.845 10 10 CCCE CO[C@H](CS(=O)(=O)CCN=[N+]=[N-])[C@H]1CCOC1 2251771172 PWVALUDIWVIWQO-DTWKUNHWSA-N 263.319 0.763 10 10 CCCE NC(=O)C[C@H]1CCCN1c1ccc(CO)cc1[N+](=O)[O-] 2285586231 YWIMWDGSYGULNJ-SNVBAGLBSA-N 279.296 0.931 10 10 CCCE CN(CC1COC1)C(=O)COc1ccc(N)cc1 2257568189 FTWOTBRYARBHKR-UHFFFAOYSA-N 250.298 0.752 10 10 CCCE CO[C@@H]1[C@@H](O)C[C@H]1NC(=O)Nc1ccc(N)cc1 2258707246 CJENIOJZLGXRIW-VWYCJHECSA-N 251.286 0.539 10 10 CCCE NCc1ccc(N2C[C@@H]3OC[C@H](CO)O[C@H]3C2)cc1 2265027198 RXDLNUVVPGPRNY-IHRRRGAJSA-N 264.325 0.110 10 10 CCCE CSc1ncc(CNC(=O)[C@@H](N)c2ccnn2C)s1 2269200391 MOLXHWZWBQWHPW-VIFPVBQESA-N 297.409 0.915 10 10 CCCE COC1(C(N)=O)CN(c2ccc([C@@H](C)O)c(C)c2)C1 2269681523 NIOKJPNXMZNUQF-SNVBAGLBSA-N 264.325 0.739 10 10 CCCE NCc1ccc(N2C[C@@H]3OC[C@@H](CO)O[C@H]3C2)cc1F 2279774312 IKWBVXXJNZJRII-XBFCOCLRSA-N 282.315 0.249 10 10 CCCE O[C@@H](c1ccc(N2CCNCC2)cc1)c1ncccn1 2286065478 JMYIIXVTZPEVRK-AWEZNQCLSA-N 270.336 0.968 10 10 CCCE O=C(O)[C@@]12CC[C@@H](CN(Cc3ccc(O)cc3O)C1)N2 2287372191 JSRZPROUTKWTNE-IINYFYTJSA-N 278.308 0.489 10 10 CCCE Cc1cc([C@H](C)O)ccc1N1C[C@@H]2C[C@H]1[C@@H](O)[C@H]2O 2333979231 LKGFCMLGXQHUAV-AOOQXXKVSA-N 263.337 0.979 10 10 CCCE O=C(NCCCOC1CNC1)c1cccc(O)c1O 2337067365 JZGVNJQQYGDTFP-UHFFFAOYSA-N 266.297 0.206 10 10 CCCE CC(=O)N(C)C1CN(C(=O)c2cccc(O)c2O)C1 2353350526 XAYBJCBIDSFBRF-UHFFFAOYSA-N 264.281 0.401 10 10 CCCE Oc1ccc(CNC[C@@H]2C[C@@H]3C[C@H]2[C@@H](O)[C@H]3O)cc1O 2355461228 REQPIFRZXXLNKN-KAEXTRBYSA-N 279.336 0.565 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)N[C@H]2CCS(=O)(=O)C2)C1 1893243714 OZRIHXSIEJJUKV-IUCAKERBSA-N 287.345 0.515 10 10 CCCE Nc1ccc(OC(=O)NC2CCS(=O)(=O)CC2)cc1 1893237692 RMOFAADMENELIY-UHFFFAOYSA-N 284.337 0.934 10 10 CCCE CN(C)CCN1CCN(C(=O)Nc2ccc(N)cc2)CC1 61652818 VWNAQZPTQPTVBO-UHFFFAOYSA-N 291.399 0.980 10 10 CCCE Cn1ncc(Cl)c1S(=O)(=O)NCCN=[N+]=[N-] 230871060 YQUQYNIHEPIDSR-UHFFFAOYSA-N 264.698 0.662 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN(C(=O)COCC(=O)O)C1 2218736987 DFOKKGYJQGQQLM-MRVPVSSYSA-N 256.262 0.637 10 10 CCCE COC(=O)CCNC(=O)Nc1cc(O)c(O)c(O)c1 217278968 CWPPIDPDGILSDJ-UHFFFAOYSA-N 270.241 0.488 10 10 CCCE O=C(NC[C@@H]1CC[C@@H](O)C1)c1cc(O)nc(O)c1 227537954 GRHSGIZIDXVSFI-VXNVDRBHSA-N 252.270 0.384 10 10 CCCE CC(C)(O)CNS(=O)(=O)Cc1ccc(N)cc1 87009793 DCKFKQQAIQSPSX-UHFFFAOYSA-N 258.343 0.459 10 10 CCCE C[C@](NCCN=[N+]=[N-])(C(N)=O)c1cc(O)cc(O)c1 235692957 NAXZRNGHCXKPFM-LLVKDONJSA-N 265.273 0.698 10 10 CCCE C[C@H]1CN(C(=O)c2ccc(O)c(O)c2)[C@H](C)CN1 235651861 AZKMWEZOAXNMHG-DTWKUNHWSA-N 250.298 0.920 10 10 CCCE NCC[C@@H](O)c1nc(-c2ccc(O)c(O)c2)no1 236263971 OYGPTXYCSOYEPP-MRVPVSSYSA-N 251.242 0.530 10 10 CCCE Nc1ccc(NC(=O)CN2CC[C@H](OCCO)C2)cc1 2165427089 MGXPNJRPVVJRSG-ZDUSSCGKSA-N 279.340 0.291 10 10 CCCE CO[C@H](C(=O)NCc1ccc(O)cc1O)[C@@H]1CCOC1 910943295 MGRJNRKZKNLNCC-MFKMUULPSA-N 281.308 0.766 10 10 CCCE COC(=O)[C@@H]1C[C@@H]1CNC(=O)c1ccc(C)c(O)c1O 924909235 WBYUHVQTBNVECK-PSASIEDQSA-N 279.292 0.945 10 10 CCCE COc1ccc(N2CC[C@H](NC(=O)N(C)CCO)C2)cc1 854298662 HZNBQCJCVJXXTF-LBPRGKRZSA-N 293.367 0.908 10 10 CCCE CC(=O)N[C@H](C)C(=O)NCCOc1ccc(N)cc1 700728428 CHPPHIVQVFRDIB-SECBINFHSA-N 265.313 0.288 10 10 CCCE O=C(N[C@@H]1C[C@H]2CC[C@H]1NC2)c1cccc(O)c1O 701086468 JDOHBMUOCQBPNP-FBIMIBRVSA-N 262.309 0.968 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3CC[C@@H](N4CCC4)C3)ccc21 702304850 YCHSHNYJHUBKAX-BXUZGUMPSA-N 272.352 0.923 10 10 CCCE CC[C@H]1C(=O)NC(=O)CN1CCOc1ccc(N)cc1 97317913 TUBDKRQFISLMAW-LBPRGKRZSA-N 277.324 0.385 10 10 CCCE Nc1ccc(CN2CC[C@@H]3OCC(=O)N[C@@H]3C2)cc1 2129055367 IMXVUGMDTGADFV-OLZOCXBDSA-N 261.325 0.358 10 10 CCCE N[C@@H]1CCc2cc(N3CC4(CNC(=O)C4)C3)ccc21 2128309556 UUSQKUCNUFJYJG-CYBMUJFWSA-N 257.337 0.959 10 10 CCCE C[C@H](N)c1ccc(N2CC[C@@]3(CNC(=O)N3)C2)cc1 2121211945 VBTAEGYXIAFMFY-IINYFYTJSA-N 260.341 0.968 10 10 CCCE CC1(C)[C@@H](O)[C@@H](O)CN1c1ccc2c(c1)CC[C@H]2O 2128321203 HHNTYAPYNLYSPV-RDBSUJKOSA-N 263.337 0.987 10 10 CCCE N[C@@H]1CN(c2ccc3c(c2)COCC3)CC[C@@H]1CO 2122379922 JFOWVYNCWVYSBD-IUODEOHRSA-N 262.353 0.905 10 10 CCCE CO[C@@H](C)COC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 2126692942 IBLOZPYJVYFPPW-WPRPVWTQSA-N 269.297 0.546 10 10 CCCE Cc1ccc(CNC(=O)CON)c(O)c1Br 1905140496 YIIKMYWLVRUPOB-UHFFFAOYSA-N 289.129 0.970 10 10 CCCE O=C(N[C@]12CC[C@@H]1CNC2)c1cc(O)c(O)c(O)c1 2132402510 ZCZXVROQLQWCTJ-OQPBUACISA-N 264.281 0.285 10 10 CCCE C[C@H]1C[C@@H](CNC(=O)c2cc(O)c(O)c(O)c2)CN1 2132407424 PGTXFQWSSGKBKO-JGVFFNPUSA-N 266.297 0.531 10 10 CCCE Cn1nncc1S(=O)(=O)N1CCC(CN=[N+]=[N-])CC1 1912150962 ATASVUXGGVNCAZ-UHFFFAOYSA-N 285.333 0.526 10 10 CCCE CS(=O)(=O)N1CC[C@H](N2CCC[C@H](N=[N+]=[N-])C2)C1 1912193725 QACIXZPHPVCGDJ-UWVGGRQHSA-N 273.362 0.795 10 10 CCCE [N-]=[N+]=NCCCN[C@]1(C(N)=O)C[C@H]2OCCC[C@@H]21 1912204298 ABLWIQKIJCGAFM-IQJOONFLSA-N 253.306 0.699 10 10 CCCE COc1ccc(N2CCN(C)C[C@H]2CN)c(OC)c1 217149076 LJSZWPQUZDMALG-LLVKDONJSA-N 265.357 0.783 10 10 CCCE COCc1noc(CNCc2ccc(O)cc2O)n1 1926330403 QSNLXTSYFSCFQO-UHFFFAOYSA-N 265.269 0.917 10 10 CCCE CCn1nc(Br)c([C@@H](O)C(=O)C(C)=O)n1 1960681019 UEDQIVWNMNWMTM-SSDOTTSWSA-N 276.090 0.252 10 10 CCCE O=C(NCc1ccc(O)c(O)c1)c1ccc(CO)nc1 1631438388 CQDJYNBNVMYNKL-UHFFFAOYSA-N 274.276 0.915 10 10 CCCE CC(C)CNCc1ccc(N2C[C@H](O)[C@@H](O)C2)cc1 232638435 ILXSSWVDOQSIDI-GJZGRUSLSA-N 264.369 0.974 10 10 CCCE Cc1ccc(C(=O)NC2(c3nn[nH]n3)CCC2)c(O)c1O 1593864205 UHQRYBBTUIXNST-UHFFFAOYSA-N 289.295 0.729 10 10 CCCE COc1cc(N2CCS(=O)(=O)[C@H](C)C2)ccc1CO 2139683637 YYJVNAIMQRXQSC-SNVBAGLBSA-N 285.365 0.811 10 10 CCCE Cc1ccc(CN2C[C@H](O)[C@H](CC(=O)O)C2)c(O)c1 2139773525 GLRYWNAWXLBCAK-YPMHNXCESA-N 265.309 0.968 10 10 CCCE CNC(=O)[C@H]1COCCN1CCCOc1ccc(N)cc1 159368086 JPRFNRQKQFYNSJ-CQSZACIVSA-N 293.367 0.485 10 10 CCCE OCc1cc(F)c(N2C[C@H](O)[C@@H](O)[C@H]2CF)c(F)c1 2140664015 PZFUOVZYIFQXHI-SCVCMEIPSA-N 277.242 0.337 10 10 CCCE CN(C)c1nc(=NCc2ccccc2O)[nH]cc1N 1876364516 MVGMKPMZESONOE-UHFFFAOYSA-N 259.313 0.864 10 10 CCCE Nc1ccc(OCC(=O)N2CCN[C@@H]3CC[C@H]32)cc1 1876424612 WBTUMPHQQPGUPZ-CHWSQXEVSA-N 261.325 0.610 10 10 CCCE C[C@H]1[C@@H](C)NCCN1C(=O)COc1ccc(N)cc1 1876479277 FXGSUWKAXABVQY-MNOVXSKESA-N 263.341 0.856 10 10 CCCE C[C@@]1(CN)CCCN1C(=O)COc1ccc(N)cc1 1876663735 BRKNHSUMTVSQOU-AWEZNQCLSA-N 263.341 0.987 10 10 CCCE CO[C@@H]1CN[C@@H](C(=O)N[C@H](C)c2ccccc2O)C1 1877578241 KGEMTOCUHOOSSI-JFGNBEQYSA-N 264.325 0.946 10 10 CCCE COC(=O)[C@]1(NCCN=[N+]=[N-])C2CCN(CC2)[C@@H]1C 1877843584 OHEWALRUZBOCGC-BXKDBHETSA-N 267.333 0.912 10 10 CCCE CN(C)c1ccc(CN2CC(=O)NC[C@@H]2C(=O)O)cc1 1963324967 FJHKTCWYHRTZDQ-GFCCVEGCSA-N 277.324 0.138 10 10 CCCE C[C@H](N)c1cc(F)c(N2CC(CO)(CO)C2)c(F)c1 1880930335 AIMVEMKEIGUESA-QMMMGPOBSA-N 272.295 0.776 10 10 CCCE Nc1cc2c(cc1N1CC(C3CNC3)C1)OCCO2 1886853156 FUMCBGXSZZXHFE-UHFFFAOYSA-N 261.325 0.696 10 10 CCCE OC[C@H](O)CCNCc1cc(Br)ccc1O 1967857815 KKJRSPMBUKXMHI-SNVBAGLBSA-N 290.157 0.988 10 10 CCCE C[C@H]1CNC[C@H](CC(=O)NCc2ccccc2O)O1 1969154502 NRAHVXCYOBXJND-JQWIXIFHSA-N 264.325 0.775 10 10 CCCE C[C@H](c1ccccc1O)N(C)S(=O)(=O)c1cnn(C)n1 2144430558 XNSPLMXGQGZWFH-SECBINFHSA-N 296.352 0.902 10 10 CCCE C[C@@H]1[C@H]2CNC[C@H]2CN1C(=O)c1cccc(O)c1O 253087715 DLJORNOCNLEUEN-WCABBAIRSA-N 262.309 0.778 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3CC[C@H](O)[C@@H](F)C3)cc21 2144572532 YWRGAEYMGSBQLN-WCFLWFBJSA-N 279.315 0.572 10 10 CCCE Nc1ccc(CC(=O)N2C[C@@H](CO)C[C@@H]2CO)cc1 1973362336 DPVRGDSILMVHMC-WCQYABFASA-N 264.325 0.013 10 10 CCCE C[C@@H](N)C[S@](C)(=O)=NC(=O)Cc1ccc(N)cc1 1974000112 YORMSDMZCGQZJG-LZVRBXCZSA-N 269.370 0.783 10 10 CCCE CC(C)NCc1ccc(N2CC(OCC(N)=O)C2)cc1 2145378262 XFLHBILNIWCCMP-UHFFFAOYSA-N 277.368 0.875 10 10 CCCE NC(=O)COC1CN(c2ccc(CNC3CC3)cc2)C1 2145377695 QFRZBEVGOGHWPI-UHFFFAOYSA-N 275.352 0.629 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N3CC[C@@H]3C(N)=O)c(Cl)cc21 2145614219 PICMZCOIVFKECE-MWLCHTKSSA-N 294.742 0.617 10 10 CCCE CC1(CNC(=O)COc2ccc(N)cc2)CS(=O)(=O)C1 2152870193 GGKYUWACIDPFGP-UHFFFAOYSA-N 298.364 0.199 10 10 CCCE Cc1cc(CN)ccc1N1CCCC1(CO)CO 2029372639 KKIGYHCXZGTMBH-UHFFFAOYSA-N 250.342 0.777 10 10 CCCE C[C@@H]1CCN[C@@H]1CNC(=O)c1cccc(O)c1O 2033148244 WRFSQIPKJRVNRR-PSASIEDQSA-N 250.298 0.826 10 10 CCCE C[C@@H]1CCN(C[C@H](O)COc2ccc(N)cc2)[C@H]1CO 299981377 UCJODZMHDYUOTQ-ZLDLUXBVSA-N 280.368 0.711 10 10 CCCE Nc1ccc(OCCN2CC[C@H]3C(=O)NC[C@H]3C2)cc1 2157172727 SLQNUMOAQNWSAH-SMDDNHRTSA-N 275.352 0.716 10 10 CCCE NCc1cc(F)c(N2CCN(CCO)C(=O)C2)c(F)c1 2171072184 KFPXOARTJWCIGE-UHFFFAOYSA-N 285.294 0.064 10 10 CCCE CNS(=O)(=O)CCNCc1ccc(F)c(F)c1O 703272160 CPGPEUMPBWGLHD-UHFFFAOYSA-N 280.296 0.309 10 10 CCCE CCN(c1ccc2c(c1)NC(=O)[C@H]2N)[C@H]1CCNC1=O 2171232289 FRSUNSBBBRKYQJ-RYUDHWBXSA-N 274.324 0.353 10 10 CCCE CC(=O)c1ccc(O)c(CN2C[C@H]3NC(=O)O[C@@H]3C2)c1 2176927168 LQYWKTOKOZNZHI-DGCLKSJQSA-N 276.292 0.887 10 10 CCCE CCN(Cc1nn[nH]n1)C(=O)c1cccc(O)c1O 707514002 WPFPKMJYEBMGLU-UHFFFAOYSA-N 263.257 0.273 10 10 CCCE CN(c1c(F)cc(CN)cc1F)[C@@H]1COC[C@H]1O 709372647 HEMNZJNZAZSDBQ-GHMZBOCLSA-N 258.268 0.619 10 10 CCCE C[C@@H](NCC(=O)N1CCOCC1)c1ccc(O)cc1O 379629371 QVIUIWQXTBITSW-SNVBAGLBSA-N 280.324 0.607 10 10 CCCE Cc1ccc(S(=O)(=O)NCc2ccc(N)cc2)nn1 712759495 HMKALJPABKNTSK-UHFFFAOYSA-N 278.337 0.846 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3CC(O)(C4CC4)C3)cc21 384039159 JCFBOWVDYJMKFU-CYBMUJFWSA-N 273.336 0.624 10 10 CCCE Nc1ccc2c(ccn2CCN2C(=O)CNC2=O)c1 695277907 WNDHUHIFJXSNFK-UHFFFAOYSA-N 258.281 0.775 10 10 CCCE O=C(N[C@@H](CO)C1CCC1)c1cc(O)nc(O)c1 717629083 POWXMROEYKPRAF-VIFPVBQESA-N 252.270 0.384 10 10 CCCE NCc1ccc(N2CCC[C@](O)(C(N)=O)C2)cc1Cl 389190827 ODWAUNKBNKTVCL-CYBMUJFWSA-N 283.759 0.615 10 10 CCCE CCC(=O)NCCNCc1cc2c(cc1O)OCO2 392968323 BPHVMKVZCQWAMG-UHFFFAOYSA-N 266.297 0.737 10 10 CCCE CC=C[C@H](O)C(=O)NCc1cc(OC)ccc1O 2059326844 MEAAOORJNHKOKX-LBPRGKRZSA-N 251.282 0.954 10 10 CCCE CNC(=O)[C@@H]1CCN(CC(=O)Nc2ccc(N)cc2)C1 398504609 LENUAEBWWRAIAQ-SNVBAGLBSA-N 276.340 0.275 10 10 CCCE C[C@@]1(NC(=O)c2ccc(O)c(O)c2)CCC(=O)NC1=O 2172844180 SXODLTFRBXMGCE-CYBMUJFWSA-N 278.264 0.023 10 10 CCCE COc1cc(N)c(N2CC3(CNC(=O)C3)C2)cc1OC 2176159755 LZNMIMXTZPRCBX-UHFFFAOYSA-N 277.324 0.612 10 10 CCCE C[C@H]1C[C@@H](CO)CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2188868851 XZRLKUBXABAAHT-DTWKUNHWSA-N 281.308 0.894 10 10 CCCE O=C(NC[C@H]1CCNC12CC2)c1cc(O)c(O)c(O)c1 2188921662 CKWSOFHANKCQLV-SECBINFHSA-N 278.308 0.675 10 10 CCCE CC(C)([C@H](O)[C@H](N)c1ccccc1O)S(C)(=O)=O 2047892827 FKRWOQGNWQBQPA-GHMZBOCLSA-N 273.354 0.576 10 10 CCCE COc1cccc(O)c1CN1CCO[C@@H]2CCNC[C@H]21 2185527397 AFLOGLSBGBYYJH-IUODEOHRSA-N 278.352 0.964 10 10 CCCE COCCNC(=O)CCOCc1ccc(N)cc1 2053282908 CHSLFTMIPZZKIG-UHFFFAOYSA-N 252.314 0.938 10 10 CCCE CC1(CO)CC(NC(=O)c2ccc(O)c(O)c2)C1 2055636078 NOFUSFWKONJXPU-UHFFFAOYSA-N 251.282 0.989 10 10 CCCE C[C@H](O)c1cc(F)c(N2CC(=O)NC(=O)[C@H]2C)c(F)c1 2194515108 FPAVITXRWURSDE-RQJHMYQMSA-N 284.262 0.869 10 10 CCCE COC(=O)c1cccc(N)c1N[C@H]1CNCC[C@@H]1CO 2191736068 CLOOYLRUPWDMBE-SKDRFNHKSA-N 279.340 0.438 10 10 CCCE COC(=O)c1cccc(N)c1N[C@@H]1CO[C@@H]2CNC[C@@H]12 2191739585 YMIIITNGIYSJOU-MVWJERBFSA-N 277.324 0.454 10 10 CCCE C[C@H](NC[C@@H]1CNC(=O)O1)c1cc(O)ccc1O 2066429480 XKDISMDMRCXALE-IONNQARKSA-N 252.270 0.857 10 10 CCCE CCOC(=O)[C@@]1(NCCN=[N+]=[N-])CCOC[C@@H]1F 2066721114 VMEAYPGSPAMXQE-WCBMZHEXSA-N 260.269 0.947 10 10 CCCE NC[C@@H]1[C@@H]2C[C@H]2CN1C(=O)CCOc1ccc(N)cc1 2198967948 DAUGPDUCQIFSNW-ZLKJLUDKSA-N 275.352 0.843 10 10 CCCE Nc1ccc(O)c(CN2CC[C@@H]3C(=O)NC[C@H]3C2)c1 2100940796 MSTJFTMNCSFASH-JQWIXIFHSA-N 261.325 0.542 10 10 CCCE CC(=O)N[C@H](C)C(=O)NCc1cccc(C)c1O 2084057838 ZDVVNHUCDGEHLP-SECBINFHSA-N 250.298 0.841 10 10 CCCE O=C1C[C@H](CNC(=O)c2ccc(O)c(O)c2)CCN1 2105267444 GSKCOYBRWNDTMP-MRVPVSSYSA-N 264.281 0.354 10 10 CCCE CNCc1ccc(N2C[C@H](N(C)C)[C@H](O)C2)c(C)c1 2089924709 XKXBUGXKRHDNPK-LSDHHAIUSA-N 263.385 0.826 10 10 CCCE NC(=O)NCCCNCc1cc2c(cc1O)OCO2 2111577358 JLULGTBATRFPCV-UHFFFAOYSA-N 267.285 0.269 10 10 CCCE NC(=O)CN(Cc1ccc(N)cc1)[C@H]1CCC[C@@H]1O 2099394029 BQWFJNMJNLWCTD-STQMWFEESA-N 263.341 0.470 10 10 CCCE Cc1cc(CO)ccc1N1CCN([C@H](C)CO)CC1 2113063986 KPAVNTGAYVTGBH-CYBMUJFWSA-N 264.369 0.990 10 10 CCCE COc1cccc(O)c1CN1CC[C@H](O)C[C@@H]1C(=O)O 2201087150 SFOYHWUEGMOVDD-GXSJLCMTSA-N 281.308 0.811 10 10 CCCE Nc1ccc(OC[C@@H](O)CN2C[C@H](O)C23CCC3)cc1 2201414215 VHTZZRMBZYUJSC-JSGCOSHPSA-N 278.352 0.608 10 10 CCCE COc1ccc(N(C)CCOCCO)c(CO)c1 2220431525 UHIRKFSQYUEOOO-UHFFFAOYSA-N 255.314 0.633 10 10 CCCE CN(C)c1ccc(OC2(CC(=O)O)CNC2)cc1 2221876849 WPBZCIUFMIUQRK-UHFFFAOYSA-N 250.298 0.948 10 10 CCCE COc1ccc(N2CC[C@H]3C(=O)NC[C@H]3C2)c(CO)c1 2236001065 DERQJMRWRYVULM-WCQYABFASA-N 276.336 0.760 10 10 CCCE COc1ccc(N2CC(NS(C)(=O)=O)C2)c(C=O)c1 2227699305 MNWXIZGNZNWMRT-UHFFFAOYSA-N 284.337 0.246 10 10 CCCE CCn1cnnc1[C@H](NN)c1ccc(N(C)C)cc1 2227875582 AMDQOARGGWETKC-GFCCVEGCSA-N 260.345 0.917 10 10 CCCE CCOC(=O)c1n[nH]c(=NCc2ccc(N)cc2)o1 2278077257 XFBHJHKAIJZPMR-UHFFFAOYSA-N 262.269 0.863 10 10 CCCE CC[C@H](C)[C@@H](Nc1c(N)cccc1C(N)=O)C(N)=O 2278845572 KDHZZBHZPBBKEN-OIBJUYFYSA-N 264.329 0.680 10 10 CCCE O=C(O)[C@@H]1CCOCCN1Cc1ccc(O)cc1O 2269867507 OOMAEJLOPAPYDH-NSHDSACASA-N 267.281 0.773 10 10 CCCE O=C(O)[C@@]12CCO[C@@H]1CN(Cc1ccc(O)c(O)c1)C2 2296381931 YRLLZMPDDPELCO-TZMCWYRMSA-N 279.292 0.773 10 10 CCCE NCc1cc(F)c(N2C[C@@H]3C[C@H]2[C@H](O)[C@H]3O)c(F)c1 2329332154 IZEUHVIJFZBLKD-QNWTXNENSA-N 270.279 0.354 10 10 CCCE Nc1cc2c(cc1N1C[C@@H]3C[C@@H](O)[C@H]1C3)OCCO2 2330780061 PJDOQWQBTDMHGY-XXILOJSOSA-N 262.309 1.000 10 10 CCCE COc1ccc(N2C[C@H](O)C(F)(F)C2)c(CN)c1 2220409626 QCWOHTLUYZKCSH-NSHDSACASA-N 258.268 0.970 10 10 CCCE C[C@@H](C(=O)NC(N)=O)N(C)Cc1ccc(N)cc1 35063985 OVGYZDJUYJYVSG-QMMMGPOBSA-N 250.302 0.284 10 10 CCCE CS(=O)(=O)N1CCN(c2ccc3c(c2)CC(=O)N3)CC1 62093645 RTCNXCJDZHXWJI-UHFFFAOYSA-N 295.364 0.263 10 10 CCCE C[C@@H](NC(N)=O)C(=O)NCc1ccc(N(C)C)cc1 61077400 HVCHYLIXQMZGGD-SECBINFHSA-N 264.329 0.426 10 10 CCCE NCc1ccc(N2CCOC[C@H]2C(N)=O)cc1Cl 129281541 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CC(=O)C(=O)COC(=O)[C@@H]1C[C@]12CCO[C@H](C)C2 808537038 PTPPQMYHJYFUNQ-DFAYQTQMSA-N 254.282 0.893 10 10 CCCE CN1CCCc2cc(CN3C[C@@H](O)C[C@@H](N)C3)ccc21 2168136057 YPBMWABUWOAHFE-CABCVRRESA-N 275.396 0.963 10 10 CCCE CN(Cc1ccccc1O)C(=O)C1=C[C@@H](O)[C@@H](N)C1 2131476546 MMDMARWKCUKDFT-WCQYABFASA-N 262.309 0.369 10 10 CCCE O=C(NC[C@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(O)c(O)c1 724573565 PTMBTUIMNJTVQL-BREBYQMCSA-N 279.292 0.632 10 10 CCCE Cc1ccc(O)c(CNC(=O)[C@]2(C)C[C@@H](O)CN2C)c1 913000887 YVTHDKXYZVMRGL-DOMZBBRYSA-N 278.352 0.772 10 10 CCCE CN(C)c1ccc([C@H](N)CNC(=O)[C@@H]2[C@H]3COC[C@H]32)cc1 852791508 IKAIFZGNLOTIOE-BARDWOONSA-N 289.379 0.761 10 10 CCCE CS(=O)(=O)C[C@@H](O)CN[C@@H]1CCc2cccc(O)c21 927021449 BREDTXKTGUNFNW-WDEREUQCSA-N 285.365 0.375 10 10 CCCE COC(=O)C(=O)[C@H](C)OC(=O)c1cc(O)cs1 778314474 HWVNPIRQLLPZEW-YFKPBYRVSA-N 258.251 0.741 10 10 CCCE O=C(NCCNC(=O)C1CC1)c1cc(O)c(O)c(O)c1 169839034 JGBMKIWNFXCNCG-UHFFFAOYSA-N 280.280 0.059 10 10 CCCE 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CC[C@H](NS(=O)(=O)Cc1ccc(N)cc1)C(=O)N(C)C 2156450240 HXTBEQXDMLNOFJ-LBPRGKRZSA-N 299.396 0.555 10 10 CCCE NCc1ccc(N2C[C@@H](CO)C[C@H]2CO)cc1Cl 2029382410 BRAUWYZZBUYINO-CABZTGNLSA-N 270.760 0.978 10 10 CCCE C[C@H](c1ccc(O)cc1O)N1CCOC[C@@H](N)C1 2034712742 CFZHDTJJVDZHHI-ZJUUUORDSA-N 252.314 0.818 10 10 CCCE O=C(N[C@H]1C[C@H](n2cncn2)C1)c1ccc(O)c(O)c1 2159822634 ISLFEEXQZBONQB-MGCOHNPYSA-N 274.280 0.823 10 10 CCCE NC(=O)C1(NCc2cccc(O)c2O)CCCC1 2036967176 HLCZAIKVFXHDLP-UHFFFAOYSA-N 250.298 0.986 10 10 CCCE CN(Cc1ccc(N)cc1)C(=O)[C@@H]1CO[C@H]2COC[C@H]12 2158042606 LEXMUQKWNSXISF-MCIONIFRSA-N 276.336 0.889 10 10 CCCE Nc1ccc(NC(=O)NCCN2CCCS2(=O)=O)cc1 405317501 KUROGIRKSLSJAM-UHFFFAOYSA-N 298.368 0.426 10 10 CCCE O=C1CCC(=O)N1CCNCc1ccc(O)cc1O 405415324 ORDLRPBBXXIGMS-UHFFFAOYSA-N 264.281 0.336 10 10 CCCE C[C@H]1CN(C(=O)c2cc(O)nc(O)c2)CC[C@@H]1C(=O)O 312670504 NLPYYSOHGVAIIK-CBAPKCEASA-N 280.280 0.676 10 10 CCCE C[C@H]1OCCN(C(=O)Cc2ccc(N)cc2)[C@H]1C(=O)O 381436166 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CCN(c1ccc2c(c1)CC[C@@H]2N)[C@@H]1CC(=O)NC1=O 2184739974 NSUYLMHEXKIOFI-QWHCGFSZSA-N 273.336 0.874 10 10 CCCE C[S@](=O)C1CN(CC(=O)Nc2ccc(N)cc2)C1 2051894473 KKDYWCJDUQFIAE-SFHVURJKSA-N 267.354 0.270 10 10 CCCE Oc1ccc(CNC[C@@H]2[C@@H]3COC[C@@H]32)c(O)c1O 2054244555 OEGZPKHVLVOYSW-ILWJIGKKSA-N 251.282 0.785 10 10 CCCE C[C@H](O)[C@H]1CCN1C(=O)Cc1ccc(O)c(O)c1 2059503595 NNYWNBOIOVTSGF-WCBMZHEXSA-N 251.282 0.622 10 10 CCCE CN(C[C@]1(O)CCOC1)c1ccc(CO)cc1[N+](=O)[O-] 2185950758 SSZYAOYEIYICMS-CYBMUJFWSA-N 282.296 0.675 10 10 CCCE COc1cc(N)c(N2CCO[C@H]([C@H](C)N)C2)cc1OC 2191560011 QOUSLCMGTWZSMT-XPTSAGLGSA-N 281.356 0.838 10 10 CCCE O=[N+]([O-])c1cc(CO)ccc1N1C[C@@H]2COC[C@@H]21 2066238772 XQADKSVWGQOMHR-SKDRFNHKSA-N 250.254 0.922 10 10 CCCE CN1CCO[C@@H](C(=O)N2CCC[C@H]2CN=[N+]=[N-])C1 2067584257 RTIWFIOGBUKEDH-VHSXEESVSA-N 253.306 0.618 10 10 CCCE CCN(CCCO)C(=O)c1cc(O)c(O)c(O)c1 2068577656 OISYUFVDLOOIOS-UHFFFAOYSA-N 255.270 0.648 10 10 CCCE Nc1ccc(NC(=O)N=[S@]2(=O)CC[C@@H](N)C2)cc1 2071557657 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N[S@@](=O)(=NCCc1ccc(O)c(O)c1)N1CCCC1 2097963325 UTEWUKFZAAQIOV-LJQANCHMSA-N 285.369 0.993 10 10 CCCE C[C@@H](N)c1ccc(N2CCN(C)C[C@@H]2CCO)cc1O 2202830223 KQVNUXCSHQVGAK-YPMHNXCESA-N 279.384 0.915 10 10 CCCE N[C@]1(C(=O)C(=O)C[C@H]2C[C@H](N)C2)CCCC12CC2 2219884016 AMPFYIAOLQAVNV-BHDSKKPTSA-N 250.342 0.914 10 10 CCCE COc1ccc(N2CC3(C2)OC[C@@H](O)[C@@H]3O)cc1OC 2235119071 DCOVNCSXJMYULZ-MFKMUULPSA-N 281.308 0.015 10 10 CCCE C[C@]1(CO)C=CCN1C[C@@H](O)COc1ccc(N)cc1 2237173225 WGRAXILSKDZREI-UKRRQHHQSA-N 278.352 0.631 10 10 CCCE Cc1cc([C@@H](C)N)ccc1N1C[C@H]2C(=O)NC(=O)[C@@H]2C1 2240839974 MLGZHZPEZFVGSY-YUSALJHKSA-N 273.336 0.724 10 10 CCCE Cc1cc(N2C[C@H](O)C[C@H]2CO)ccc1[C@@H](C)O 2257468732 XLGUBZAWHNAKEZ-KGYLQXTDSA-N 251.326 0.980 10 10 CCCE CSc1ncc(CNC(=O)c2nc(CN)no2)s1 2257963680 VMRQUSPOOSQMLO-UHFFFAOYSA-N 285.354 0.637 10 10 CCCE C[C@H]1[C@@H](O)CCN1c1ccc2c(c1)N(C)C(=O)[C@@H]2N 2273222296 RZZVPMUIWOIMTQ-AQUOVQTQSA-N 261.325 0.622 10 10 CCCE COc1ncc([C@H](NCCCN=[N+]=[N-])C(=O)O)cn1 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10 10 CCCE C[C@@]1(O)CCN(C(=O)Cc2ccc(N)cc2)C[C@@H]1O 1893313060 XRRLECKBANIYCH-GXTWGEPZSA-N 264.325 0.156 10 10 CCCE CS(=O)(=O)CCCOC(=O)Cc1ccc(N)cc1 63017651 WZIXETWDMGDNEM-UHFFFAOYSA-N 271.338 0.789 10 10 CCCE O=C(O)[C@@H]1CCN[C@@H](c2ccc(O)c(O)c2O)C1 1952528456 GHPBGWBOWOSHFG-HTRCEHHLSA-N 253.254 0.929 10 10 CCCE O[C@@H]1[C@@H](O)[C@@H]2CCN(c3ccc4c(c3)CC[C@H]4O)[C@H]1C2 2357587067 IBPVDULDMUNPQO-BZRJDHSHSA-N 275.348 0.987 10 10 CCCE C[C@H]1CCNC[C@@H]1NC(=O)c1ccc(O)c(O)c1 235572456 LCGDTAKJRDFMSN-WPRPVWTQSA-N 250.298 0.826 10 10 CCCE CCOC(=O)CNCc1cc2c(cc1O)OCO2 42880137 VWYZBZWTXUPHFA-UHFFFAOYSA-N 253.254 0.774 10 10 CCCE Cc1ccc(O)c(CN2CC[C@](N)(C(=O)O)C2)c1 229191360 QOIBOBWKZDDJCI-CYBMUJFWSA-N 250.298 0.688 10 10 CCCE CN(C)S(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1 133761304 WFTWWDAHENYQMM-UHFFFAOYSA-N 261.259 0.519 10 10 CCCE C[C@H](CCNC(=O)c1ccc(O)c(O)c1)[S@@](C)=O 226999525 RTSOAVHZJWERCN-NTCNTBNZSA-N 271.338 0.985 10 10 CCCE CC[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 40457781 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254.305 0.952 10 10 CCCE Nc1ccc(OCC(=O)N2CC[C@@H](OCCO)C2)cc1 2165426321 CPBOOXKSYPDONB-CYBMUJFWSA-N 280.324 0.257 10 10 CCCE CC(=O)C(=O)COC(=O)c1cnn(C(C)(C)C)c1 808505878 CVKCXKFKYAZGKO-UHFFFAOYSA-N 252.270 0.953 10 10 CCCE CC(C)[C@H](NCc1cc([N+](=O)[O-])ccc1O)C(N)=O 725272007 YDTZTUVBLQRVKT-NSHDSACASA-N 267.285 0.900 10 10 CCCE N=C(N)N[C@H](CC(=O)O)c1cc(O)c(O)c(Cl)c1 725336915 GRQCCMHYAZVUIY-ZCFIWIBFSA-N 273.676 0.750 10 10 CCCE O=C(O)[C@H]1C[C@H](S(=O)(=O)NCc2ccccc2O)C1 723249236 CCNHXUPWCWQSNG-MGCOHNPYSA-N 285.321 0.675 10 10 CCCE COc1ccc(N2CC[C@@H](NC(=O)NCCN)C2)cc1 851662406 WQLLSQUZEFCOSZ-LLVKDONJSA-N 278.356 0.532 10 10 CCCE Nc1ccc(NC(=O)C(=O)N[C@@H](CO)C2CCC2)cc1 850833881 SOCJKYSGHJAUTL-LBPRGKRZSA-N 277.324 0.485 10 10 CCCE CN(C)C(=O)NCCNC(=O)Nc1ccc(N)cc1 133042358 VJBXFBVKMKYRSK-UHFFFAOYSA-N 265.317 0.662 10 10 CCCE COC(=O)[C@H]1CCCCN1C(=O)c1cc(O)nc(O)c1 133473506 CNQLXKUMJYDRMR-SECBINFHSA-N 280.280 0.661 10 10 CCCE NCC[C@H](O)C(=O)NCc1cc(Cl)ccc1O 83430985 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C[C@@H]1CNCCN1C(=O)c1cc(O)c(O)c(O)c1 1866302690 AFJOOWNILRRIHL-SSDOTTSWSA-N 252.270 0.237 10 10 CCCE O=[N+]([O-])c1cc(CO)ccc1N1C[C@H]2COC[C@@H]21 2066238770 XQADKSVWGQOMHR-CABZTGNLSA-N 250.254 0.922 10 10 CCCE O=C(N[C@@H]1CCOC[C@H]1F)c1cccc(O)c1O 2066713904 PYPJCRHXKRGEKM-RKDXNWHRSA-N 255.245 0.955 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CC=C[C@H]1CO 2068579707 YUCWDAGMLCEDRA-QMMMGPOBSA-N 251.238 0.176 10 10 CCCE C[C@@H]1C[C@@H](CO)CN1c1ccc2c(c1)NC(=O)[C@H]2N 2100330375 JNOCCOVQXAWIPL-KKFJDGPESA-N 261.325 0.846 10 10 CCCE N[C@H]1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)CC1 2101522378 YZHZLGKXBBAIRC-CZMCAQCFSA-N 265.313 0.740 10 10 CCCE N[C@@]1(C(=O)O)CCN(c2ccc3c(c2)COCC3)C1 2106332307 SMURGLKWVPUPKJ-AWEZNQCLSA-N 262.309 0.752 10 10 CCCE CN1CCN(S(=O)(=O)Cc2ccc(N)cc2)[C@H]2C[C@@H]21 2112100667 GVVFRUDEBPSMGO-STQMWFEESA-N 281.381 0.487 10 10 CCCE COc1ccc(N2C[C@@H]3C[C@H](C2)[C@@H](O)[C@H]3O)c(OC)c1 2235125652 YPNXWIDHAUGXMM-LMHVJCSRSA-N 279.336 0.882 10 10 CCCE 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C[C@@H]1OC(=O)N[C@H]1C(=O)NCc1ccc(O)c(O)c1 1622643837 XTBGZMZXQQRTPP-QUBYGPBYSA-N 266.253 0.211 10 10 CCCE COc1cc(N2CCC[C@](O)(CO)C2)ccc1CO 2139698845 NVTZNVFDBTXJTN-CQSZACIVSA-N 267.325 0.511 10 10 CCCE CNCc1ccc(N2CCO[C@H](CO)C2)cc1OC 2139687669 GSKQFGZHJJAYGG-ZDUSSCGKSA-N 266.341 0.612 10 10 CCCE COc1cc(N2CCC[C@@](O)(CO)C2)ccc1CN 2139700550 LCZGVUBAMQTHBA-AWEZNQCLSA-N 266.341 0.478 10 10 CCCE Oc1cccc2c1[C@H](N[C@@H]1CCn3nnnc3C1)CC2 1875674965 SOKRVQVORPATSH-GHMZBOCLSA-N 271.324 0.971 10 10 CCCE Nc1cccc(C(=O)O)c1N[C@@H]1CO[C@@H]2CNC[C@H]12 1876500914 UFFSMJVAUNRCAZ-FBIMIBRVSA-N 263.297 0.366 10 10 CCCE NC[C@@H]1C[C@H](O)CN1C(=O)CCc1ccc(N)cc1 1876671789 BQKFBRLVILEPOK-STQMWFEESA-N 263.341 0.122 10 10 CCCE CN(Cc1ccc(N(C)C)cc1)Cc1nnnn1C 1963331183 FLXDXGJBPHMRNL-UHFFFAOYSA-N 260.345 0.908 10 10 CCCE COc1cc(Cl)cc(CN(CCO)CC(=O)O)c1O 1963427518 IQCHRXUKDMTMRD-UHFFFAOYSA-N 289.715 0.933 10 10 CCCE Nc1ccc(N2C(=O)[C@@H]3C[C@H]4OCC[C@@H]4N3C2=O)cc1 2143555035 VRJPXHKSVRVZIP-SDDRHHMPSA-N 273.292 0.967 10 10 CCCE Nc1ccc(CN2C[C@@H]3OC[C@@H](C(=O)O)[C@@H]3C2)cc1 1891506526 LOVWQZBDUPLECF-XQQFMLRXSA-N 262.309 0.800 10 10 CCCE CN1C[C@@H](c2cc([N+](=O)[O-])ccc2O)NCC1=O 1951873640 UXXXDJICFZAIPU-VIFPVBQESA-N 251.242 0.403 10 10 CCCE CCN(CC)c1ccc([C@H](O)[C@@H](N)C(=O)O)c(O)c1 1951964408 DJOOCMUNIHGLQI-NEPJUHHUSA-N 268.313 0.684 10 10 CCCE CN(C)Cc1cc(C[C@@](C)(N)C(=O)O)ccc1O 1952277400 OJPVRCLASCCZSP-CYBMUJFWSA-N 252.314 0.798 10 10 CCCE CN(C[C@H]1CCS(=O)(=O)N1C)c1ccc(N)cc1 1967628629 NSPWIQRFIWEZCC-GFCCVEGCSA-N 269.370 0.739 10 10 CCCE C[C@@H](N)CCC(=O)NCCc1ccc(O)c(O)c1 1968738680 CVJBDAMPCSWSAX-SECBINFHSA-N 252.314 0.884 10 10 CCCE Cc1nc([C@@H](N)[C@H](O)c2ccc(N(C)C)cc2)nn1C 2148311247 RLEGXYALHWDJCU-QWHCGFSZSA-N 275.356 0.923 10 10 CCCE CN(C(=O)Cc1ccc(O)c(O)c1)C1(C(=O)O)CC1 1973574734 XRXJOHLVPCPCFU-UHFFFAOYSA-N 265.265 0.716 10 10 CCCE COc1cc(N)c(N2C[C@@H](CO)C[C@H]2CO)cc1OC 2146078891 QEGUDPQOPNHGPU-UWVGGRQHSA-N 282.340 0.466 10 10 CCCE COC(=O)CC[C@H](N)c1cc(C#N)c(O)cc1O 260099159 IQQVKILVDVRYIW-VIFPVBQESA-N 250.254 0.922 10 10 CCCE CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@H](O)CN1 37801165 RVUSTMSBYUFNEY-KBPBESRZSA-N 277.368 0.434 10 10 CCCE Nc1ccc(NC(=O)N2CC[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 2151286489 QCAKULHKEFLINX-SKDRFNHKSA-N 295.364 0.920 10 10 CCCE Nc1ccc(CS(=O)(=O)NCCc2ccnnc2)cc1 2151884995 AOVCRHWGQNWLGA-UHFFFAOYSA-N 292.364 0.721 10 10 CCCE CN1CCC(NC(=O)COc2ccc(N)cc2)CC1 40303138 HAODRPHYPQSZQS-UHFFFAOYSA-N 263.341 0.858 10 10 CCCE C[C@H](OC(=O)c1ccn(-c2ccc(N)cc2)n1)C(N)=O 41102186 RRPMLUYMMMKLLP-QMMMGPOBSA-N 274.280 0.485 10 10 CCCE C[C@H](c1ccccc1O)N(C)C(=O)[C@@H]1CNC[C@@H](O)C1 2155382436 NQXOXYSGFNWMOW-WOPDTQHZSA-N 278.352 0.882 10 10 CCCE Nc1ccc(OCC(=O)N2CC[C@@H](C3OCCO3)C2)cc1 2029127456 WZOLHONXMFKXJZ-LLVKDONJSA-N 292.335 0.869 10 10 CCCE NC(=O)[C@H]1CC[C@@H](NCc2ccc(O)c(O)c2)C1 2029524665 FWPNNTSLGNWODS-VHSXEESVSA-N 250.298 0.841 10 10 CCCE O=C(CNCc1ccc(O)c(O)c1)NC1CCC1 2036441376 KGNMANVXDQSHKD-UHFFFAOYSA-N 250.298 0.856 10 10 CCCE CS(=O)(=O)CS(=O)(=O)N1CCC[C@@H](N=[N+]=[N-])CC1 2038002892 QMRLEISRRPDTAJ-MRVPVSSYSA-N 296.374 0.483 10 10 CCCE O=C1CC[C@@H](CNCc2cc3c(cc2O)OCO3)CN1 2159425516 WSJZSBSAGLNCII-VIFPVBQESA-N 278.308 0.737 10 10 CCCE COc1ccc(O)c(CNCCN2CCC(O)CC2)c1 321129170 BWNKMHGUCYRVLY-UHFFFAOYSA-N 280.368 0.947 10 10 CCCE NCc1ccc(N2C[C@@H](CO)[C@H](CO)C2)c(F)c1 704697321 ARVVXABCBXKGQQ-QWRGUYRKSA-N 254.305 0.321 10 10 CCCE CN1CCc2cc(CNCCN(C)S(C)(=O)=O)ccc21 692505822 FIFMPNXOPCCSAI-UHFFFAOYSA-N 297.424 0.660 10 10 CCCE CCc1cccc(CNCC2(S(N)(=O)=O)CC2)c1O 713940680 JGZCRGFZZPKYSQ-UHFFFAOYSA-N 284.381 0.865 10 10 CCCE COC(=O)[C@]1(NCCN=[N+]=[N-])CN(C)C(C)(C)C1 694145859 WRULORQHKGYBQL-LLVKDONJSA-N 255.322 0.912 10 10 CCCE C[C@@H](O)[C@H](O)CNCc1ccc2c(c1)CCN2C 717275887 DJGKGFFOJRFUKX-QMTHXVAHSA-N 250.342 0.510 10 10 CCCE CN1C[C@H](NCc2cccc(Cl)c2O)C(=O)N1 393900293 ISJHBCXVVFQVNE-VIFPVBQESA-N 255.705 0.480 10 10 CCCE CC[C@H](CO)N(C)C(=O)COc1ccc(N)cc1 394042881 GRPBWNQHBWAVML-LLVKDONJSA-N 252.314 0.877 10 10 CCCE C[C@@H]1C[C@H]1N(CCO)c1ccc2c(c1)N(C)C(=O)[C@@H]2O 2167110135 SWZABSUILJYFTF-GAJTVXKRSA-N 276.336 0.904 10 10 CCCE C[C@H](O)c1ccc(N2CCN([C@H](C)CO)CC2)cc1O 2169365878 GCBMBJKCBIMFHC-NEPJUHHUSA-N 280.368 0.948 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CCSC[C@H]1CCO 2188873903 BCHKRHFTXBWQSO-SECBINFHSA-N 299.348 0.743 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1[C@H]2CC[C@H]1[C@H](CO)C2 2188868693 VPIFBLDUJOMYNI-GUBZILKMSA-N 279.292 0.789 10 10 CCCE NC[C@@H]1C[C@H](NC(=O)c2cc(O)c(O)c(O)c2)CCO1 2188922482 HCFFOADUFRGVCC-BDAKNGLRSA-N 282.296 0.040 10 10 CCCE O=C(NCCN1C[C@H]2C[C@@H]2C1)c1cc(O)c(O)c(O)c1 2188912155 IDGPQICQSAPYCX-NXEZZACHSA-N 278.308 0.485 10 10 CCCE OCc1cc(F)c(N2C[C@@H]3C[C@H](C2)[C@@H](O)[C@@H]3O)c(F)c1 2182555771 KXPYYMIOQAFDFD-HZZFPTLFSA-N 285.290 0.635 10 10 CCCE C[C@@H](N)c1cc(F)c(N2CC3(CNC(=O)N3)C2)c(F)c1 2194687291 GUNBUBYKICXTQU-SSDOTTSWSA-N 282.294 0.856 10 10 CCCE CN(CC(=O)O)S(=O)(=O)Nc1ccc(O)c(F)c1 2043249101 FBQRTMNLLWJKBR-UHFFFAOYSA-N 278.261 0.204 10 10 CCCE O=C1CN(c2ccc(CO)cc2F)[C@H]2CC[C@@H]2N1 2049366438 IZBHCWMWFQPUKZ-JQWIXIFHSA-N 250.273 0.785 10 10 CCCE O=C(NCc1ccccc1O)[C@@H]1C[C@H](O)CCN1 2057320187 CPJNSEIZEHZUOE-MNOVXSKESA-N 250.298 0.121 10 10 CCCE Nc1ccc(OCC(=O)NCC2CC3(CNC3)C2)cc1 2191725267 ACANHEDBWLKBCW-UHFFFAOYSA-N 275.352 0.763 10 10 CCCE Nc1ccc(CC(=O)N2CC(F)(C(=O)O)C2)cc1 2058116818 XOWCFVNFQGDEFD-UHFFFAOYSA-N 252.245 0.446 10 10 CCCE C[C@@H]1NCCN(c2cc3c(cc2N)OCC(=O)N3)[C@H]1C 2191897586 DKKQFXJNDCDLNO-IUCAKERBSA-N 276.340 0.786 10 10 CCCE NC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc2c(c1)CC[C@@H]2N 2192298930 KLSSVROQHZNAOY-OBJOEFQTSA-N 272.352 0.974 10 10 CCCE CN1C[C@@H]2C[C@H](C1)N2c1ccc2c(c1)N(C)C(=O)[C@@H]2N 2187622471 IWKHIBDZBDQTPM-UHIISALHSA-N 272.352 0.556 10 10 CCCE C[C@H](NC(=O)[C@]12CNC[C@H]1CCO2)c1ccccc1O 2192627932 VZDNYFRCPWSBFO-RWSFTLGLSA-N 276.336 0.948 10 10 CCCE Cc1cc(NS(=O)(=O)c2c[nH][nH]c2=N)ccc1O 2071701362 INNWDGYAEQIMOT-UHFFFAOYSA-N 268.298 0.637 10 10 CCCE CN(Cc1ccccc1O)S(=O)(=O)[C@H]1C[C@@H](CO)C1 2101594350 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COC(=O)NS(=O)(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-] 2213592291 RYSGJQMPZXFHAL-WDSKDSINSA-N 263.279 0.408 10 10 CCCE Cc1cccc(CNC(=O)N[C@H]2CCS(=O)(=O)C2)c1O 2204609275 GQACBLICWLLLBM-NSHDSACASA-N 298.364 0.687 10 10 CCCE [N-]=[N+]=NCCCCN1CC(CN2CCNCC2)C1 2221263005 LCFOTCTUSIKFGA-UHFFFAOYSA-N 252.366 0.914 10 10 CCCE Nc1ccc(NC(=O)CN2CC[C@@H]3[C@@H](O)C[C@H]3C2)cc1 2232886908 GXGZBUJHCTZTPZ-BPNCWPANSA-N 275.352 0.910 10 10 CCCE NCc1ccc(N2C[C@H]3COC[C@@]3(CO)C2)c(F)c1 2226165100 YFXSEIORJBKRCP-FZMZJTMJSA-N 266.316 0.730 10 10 CCCE OC[C@H]1C[C@H](CO)N(c2ccc3c(c2)COCC3)C1 2226710976 OBHHWGFHABLGLM-XHDPSFHLSA-N 263.337 0.939 10 10 CCCE CCOC(=O)CCS(=O)(=O)Nc1ccc(O)c(N)c1 2227843510 QJKIFMCIFLLYEX-UHFFFAOYSA-N 288.325 0.669 10 10 CCCE Nc1ccc(NC(=O)N2CCNCCNCC2)cc1 2227910099 BFWXSXATMAVDKB-UHFFFAOYSA-N 263.345 0.296 10 10 CCCE Cn1c(O)cn(CCCOc2ccc(N)cc2)c1=O 2265857991 NCHNBCIQZWGEHY-UHFFFAOYSA-N 263.297 0.944 10 10 CCCE OCc1cc(F)c(N2CC[C@H](O)[C@H](O)CC2)c(F)c1 2269122165 UWPVJDQVQLNBSA-TXEJJXNPSA-N 273.279 0.779 10 10 CCCE Nc1ccc(CN2C[C@@H]3OC[C@H](C(=O)O)O[C@@H]3C2)cc1 2279763232 ZXXXOJKCTILRBN-YNEHKIRRSA-N 278.308 0.322 10 10 CCCE Cc1cc(N2CCC[C@@](O)(C(N)=O)C2)ccc1[C@@H](C)O 2285167466 XERAYXNQJBXEMQ-ABAIWWIYSA-N 278.352 0.865 10 10 CCCE CC1(O)[C@H]2C[C@H]1CN(CC(=O)Nc1ccc(N)cc1)C2 2286236803 IHGKZLCHQVBNFZ-QWRGUYRKSA-N 275.352 0.910 10 10 CCCE [N-]=[N+]=NC[C@H]1CCN([C@@H]2CC(CO)(CO)C[C@H]2O)C1 2333299705 BHUIVNOLVNNYJA-GMTAPVOTSA-N 270.333 0.113 10 10 CCCE Cn1cc([S@@](=O)CC(=O)Nc2ccc(N)cc2)cn1 2341486821 ALVOAFMKKNWIIQ-IBGZPJMESA-N 278.337 0.749 10 10 CCCE CN(C)C(=O)CNCc1cc2c(cc1O)OCO2 42879693 FHPYOJXDQBYFBP-UHFFFAOYSA-N 252.270 0.299 10 10 CCCE CS(=O)(=O)CCNC(=O)CCc1ccc(N)cc1 37996334 FUMIUUCQTIIFFW-UHFFFAOYSA-N 270.354 0.362 10 10 CCCE COC(=O)[C@H]1C[C@@]1(N)c1c(O)cccc1[N+](=O)[O-] 1953017240 NXJKZIGCMKZSRJ-KBUNVGBDSA-N 252.226 0.647 10 10 CCCE Cn1nccc1NS(=O)(=O)Cc1ccc(N)cc1 44593520 ZLSCZCCZLSOBIF-UHFFFAOYSA-N 266.326 0.944 10 10 CCCE CN(CCS(C)(=O)=O)c1ccc(CN)c(F)c1 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2237168321 BMHYSEGEYCFXNL-OCCSQVGLSA-N 278.283 0.938 10 10 CCCE CNCc1cc(OC)ccc1N1CC(=O)NC[C@H]1C 2227675213 GBWNIVMIIKVHOW-SNVBAGLBSA-N 263.341 0.739 10 10 CCCE OCc1ccc(N2C[C@H]3C[C@H](O)[C@H](O)C[C@H]3C2)cc1 2228688801 MTMQKPPILBFKNK-IKARSPCKSA-N 263.337 0.747 10 10 CCCE CSc1ncc(CNS(=O)(=O)CCC(=O)O)s1 2248613718 PEBUZJWHCMDEJQ-UHFFFAOYSA-N 296.395 0.759 10 10 CCCE COc1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CF)c(OC)c1C 2295472630 QOBYYOXNFITXRD-MDZLAQPJSA-N 285.315 0.892 10 10 CCCE CC[C@H](C)[C@H](NC(=O)COc1ccc(N)cc1)C(N)=O 2296249242 HPNSWIXCGBSMLZ-ZANVPECISA-N 279.340 0.664 10 10 CCCE CNC[C@@]1(O)CCCN(Cc2c(O)cccc2OC)C1 2286332873 FHBZKPNDXMBCND-HNNXBMFYSA-N 280.368 0.947 10 10 CCCE CNCc1ccc(N2CC3(CNC(=O)CO3)C2)c(F)c1 2289733899 VWDFTCQDKKLJPO-UHFFFAOYSA-N 279.315 0.250 10 10 CCCE NCc1ccc(N2C[C@@H]3C[C@H]2[C@H](O)[C@H]3O)cc1F 2308770552 BHCZBRNRGJPIPW-WTFGDDLMSA-N 252.289 0.215 10 10 CCCE CN(Cc1ccccc1O)S(=O)(=O)[C@@H]1CC[C@H]1N 2316351120 TVEXUAVSSIMTQG-ZYHUDNBSSA-N 270.354 0.644 10 10 CCCE Nc1ccc(CCCN2C[C@@H](O)[C@@H](O)[C@@H]2CF)cc1 2333234370 SFYIFRGQBVAFSL-MJBXVCDLSA-N 268.332 0.577 10 10 CCCE CC1(C)[C@@H](N)CCN1S(=O)(=O)Cc1ccc(N)cc1 2352397717 KDLYNLJFOHKHLB-LBPRGKRZSA-N 283.397 0.910 10 10 CCCE O=C(N[C@H](CC(F)F)C(=O)O)c1cccc(O)c1O 311480708 HPHOHBPGUGPEPG-ZCFIWIBFSA-N 275.207 0.936 10 10 CCCE COC(=O)[C@H](N)C1(c2cc(O)c(O)c(OC)c2)CC1 1952724489 RHJBLFBLZTZWMS-NSHDSACASA-N 267.281 0.638 10 10 CCCE C[C@@H](NCCC(=O)N1CCOCC1)c1cc(O)ccc1O 123810311 HUQWJANRLBBDCH-LLVKDONJSA-N 294.351 0.997 10 10 CCCE CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@H](O)CN1 37807412 RCKGTMMJVWINMD-GJZGRUSLSA-N 291.395 0.824 10 10 CCCE CN1C[C@@H]2C[C@H](C1)N2S(=O)(=O)Cc1ccc(N)cc1 2131079217 MVEOZMYEIQDLIK-BETUJISGSA-N 281.381 0.487 10 10 CCCE C[C@H]1CC[C@H](C(N)=O)CN1c1ccc2c(c1)NC(=O)[C@@H]2N 42429245 SKKMLEWENYRNOV-MWODSPESSA-N 288.351 0.729 10 10 CCCE CS(=O)(=O)NCCCNCc1cc(F)ccc1O 230979761 LCPZLYIQSRKJCX-UHFFFAOYSA-N 276.333 0.560 10 10 CCCE [N-]=[N+]=NC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)C[C@@H]1O 616586324 NWVPQMPRXFNQJH-RRKCRQDMSA-N 277.244 0.491 10 10 CCCE CC(=O)C(=O)COC(=O)[C@H]1CCc2cnn(C)c2C1 808548545 MDGAAODCCQFHGW-VIFPVBQESA-N 264.281 0.226 10 10 CCCE CC(=O)C(=O)COC(=O)c1cnn(C)c1Br 808536100 DGXDSHCOMAVRPV-UHFFFAOYSA-N 289.085 0.498 10 10 CCCE CCN(CC(N)=O)c1cc2c(cc1Cl)[C@@H](NC)C(=O)N2 723181061 HEZMHRCJJSAHGR-GFCCVEGCSA-N 296.758 0.864 10 10 CCCE C[C@@H](C(=O)O)N1CC(NCc2ccc(O)cc2O)C1 2131774230 QYWBRAUSYWISKT-QMMMGPOBSA-N 266.297 0.345 10 10 CCCE CN(C)c1ccc(CNC(=O)CN(C)C2CNC2)cc1 844223608 DAENXORVNXWAFT-UHFFFAOYSA-N 276.384 0.272 10 10 CCCE O=S(=O)(NCc1c(O)cccc1F)C1COC1 921452218 IAMMYEZJXVJKSJ-UHFFFAOYSA-N 261.274 0.350 10 10 CCCE O=C(CS(=O)(=O)C1CC1)NCc1c(O)cccc1F 928706670 UPWRPAXWIPPHAB-UHFFFAOYSA-N 287.312 0.725 10 10 CCCE CNCc1nnc([C@H](N)c2cccc(O)c2O)o1 83382242 KSELGCPMSSYHSX-SECBINFHSA-N 250.258 0.248 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NCCn1cccn1 1136377792 PXBXXYIFXDUSQK-UHFFFAOYSA-N 261.281 0.653 10 10 CCCE COc1cccc(CNCC2CS(=O)(=O)C2)c1O 701914787 PLWPPICEUBKUBA-UHFFFAOYSA-N 271.338 0.535 10 10 CCCE Cc1ccc(O)c(CN(C)CC(=O)N2CCNCC2)c1 71409441 NUYOLJLTRIHSRN-UHFFFAOYSA-N 277.368 0.564 10 10 CCCE CN(C)c1ccc(CNC(=O)[C@]23CNC[C@@H]2C3)cc1 693194099 BFBLXNGSNHOKFZ-SWLSCSKDSA-N 259.353 0.978 10 10 CCCE CC(=O)c1ccc(O)c(CN2C[C@H](O)C[C@]2(C)CO)c1 699284706 GVVMEXIAHAEHHX-UKRRQHHQSA-N 279.336 0.912 10 10 CCCE COc1ccc([C@@H](C)N[C@H]2CCC(=O)NC2=O)c(O)c1 89751430 JIGMFWOYEGPKPU-KCJUWKMLSA-N 278.308 0.857 10 10 CCCE NC(=O)N=Nc1ccc(C(=O)N2C[C@H](O)C[C@H]2CO)cc1 1154936290 VWHZXLGOGLPVPE-WDEREUQCSA-N 292.295 0.417 10 10 CCCE CCN(OC)C(=O)CNC(=O)Cc1ccc(O)c(O)c1 1163103366 COFUWNNGOQTHGU-UHFFFAOYSA-N 282.296 0.166 10 10 CCCE CO[C@@H]1COC[C@H]1N(C)C(=O)Cc1ccc(N)cc1 2120777145 TZAAALHCVRIVKC-CHWSQXEVSA-N 264.325 0.684 10 10 CCCE COc1ccc(O)c(CN2CC[C@@H](CO)[C@H](N)C2)c1 2122334885 PCOOKMHLOZLPIM-GXFFZTMASA-N 266.341 0.542 10 10 CCCE CN1C[C@H](N(C)C(=O)Cc2ccc(N)cc2)CC1=O 2131951989 HCOTURMPZLZLFL-GFCCVEGCSA-N 261.325 0.500 10 10 CCCE NCc1cc(F)c(N2CCNC(=O)C23CC3)c(F)c1 2132030087 WVIVTVXDQJCVCK-UHFFFAOYSA-N 267.279 0.892 10 10 CCCE NC[C@@H]1CCC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2132399595 GVUSYCMRCDZKPB-CBAPKCEASA-N 266.297 0.661 10 10 CCCE CN(C)c1ccc(C=CC(=O)N[C@H]2CCNC2=O)cc1 1912041961 PPQZUOVLCWVVQT-ZDUSSCGKSA-N 273.336 0.771 10 10 CCCE COC[C@@]1([C@H](NCCN=[N+]=[N-])C(=O)O)CCCCO1 1912165913 QAFUVTCBBUINNP-MWLCHTKSSA-N 272.305 0.925 10 10 CCCE C[C@@H]1CN(c2cc3c(cc2N)OCC(=O)N3)CCN1C 110709472 JLICOIQPXXRZDR-SECBINFHSA-N 276.340 0.740 10 10 CCCE CO[C@@H]1C[C@H](C(=O)O)N(Cc2ccc(O)c(O)c2)C1 2136350858 RLCOIEHLPOITII-NXEZZACHSA-N 267.281 0.772 10 10 CCCE CN(C)[C@@H]1COC[C@@H]1NCc1ccc(O)c(O)c1O 1921736868 FUOOIDLBVOCGEM-VHSXEESVSA-N 268.313 0.222 10 10 CCCE NC(=O)[C@@H]1[C@H]2CN(c3ccc4c(c3)CC[C@@H]4N)C[C@H]21 2136602713 DSHOLQXUELJHPP-RFQIPJPRSA-N 257.337 0.800 10 10 CCCE NC[C@@H]1C[C@H](F)CN1C(=O)c1ccc(O)c(O)c1 1923606023 SEVHJKRVEJBUDG-IUCAKERBSA-N 254.261 0.609 10 10 CCCE COc1cc(N2CCC[C@@](O)(CO)C2)ccc1CO 2139698844 NVTZNVFDBTXJTN-AWEZNQCLSA-N 267.325 0.511 10 10 CCCE O=C(O)CN1CCN(c2ccc3c(c2)OCO3)CC1 8435671 AGKBJPJBOZPBPB-UHFFFAOYSA-N 264.281 0.622 10 10 CCCE CCOc1ccc(N2[C@@H](C)CNC(=O)[C@H]2CN)cc1 250629149 IGHSSANKHKHRDV-GXFFZTMASA-N 263.341 0.737 10 10 CCCE COc1ccc(N2C[C@@H](O)CN[C@H](C)C2)c(OC)c1 251653325 KCINSZNGSJSENJ-MNOVXSKESA-N 266.341 0.863 10 10 CCCE COc1cccc([C@@H](CN)N2CCOCC2)c1O 33435360 WEWNHOGXXJUSSB-LLVKDONJSA-N 252.314 0.733 10 10 CCCE C[C@@H](c1c(O)cccc1O)N1CCN(C)C[C@@H]1CN 235521016 XAEMQXXMZZNNSL-QWRGUYRKSA-N 265.357 0.734 10 10 CCCE CC1(C)[C@@H](NC(=O)COc2ccc(N)cc2)C[C@H]1O 127619360 NCTDJNXDQHBDMG-NWDGAFQWSA-N 264.325 0.923 10 10 CCCE CN(C(=O)CCOc1ccc(N)cc1)[C@H]1CCNC1 1876449499 QAFRSEBLGLRMLT-LBPRGKRZSA-N 263.341 0.858 10 10 CCCE Nc1ccc(-n2ccc(C(=O)NC3CNC3)n2)cc1 1876521785 RWCWZELVKRUSMB-UHFFFAOYSA-N 257.297 0.156 10 10 CCCE CC[C@H]1NCC[C@H]1NC(=O)COc1ccc(N)cc1 1876519633 PEMCIXVUKSNYLR-CHWSQXEVSA-N 263.341 0.904 10 10 CCCE C[C@H](O)c1cc(F)c(N2CC[C@@H](O)[C@H](O)C2)c(F)c1 1880487819 ISOAXIRZBXKPLO-UPZJHPNMSA-N 273.279 0.950 10 10 CCCE C[C@@H](O)c1cc(F)c(N2C[C@H](O)C[C@H]2CO)c(F)c1 1880483446 YDIFCCIFVWDERJ-FKTZTGRPSA-N 273.279 0.950 10 10 CCCE C[C@H](CS(N)(=O)=O)NCc1cccc(Cl)c1O 1947446144 NRRKQWXMAPCYNS-SSDOTTSWSA-N 278.761 0.812 10 10 CCCE CN1CCN(Cc2ccc(F)cc2O)C[C@H]1C(=O)O 1964728497 QKLAXUYURLOMCA-NSHDSACASA-N 268.288 0.732 10 10 CCCE N[C@H]1CCO[C@H](C(=O)NCc2ccccc2O)C1 1966878245 MSWAZAASIMGDID-JQWIXIFHSA-N 250.298 0.515 10 10 CCCE CN(Cc1ccccc1O)C(=O)c1cc(CN)nn1C 1966848250 AQMZOWYSKWSZEG-UHFFFAOYSA-N 274.324 0.857 10 10 CCCE NCC12CC(CNC(=O)Cc3ccc(N)cc3)(CO1)C2 1967392458 IZNOOEDTVKORQH-UHFFFAOYSA-N 275.352 0.435 10 10 CCCE OC[C@H]1CO[C@H](CNCc2cc3c(cc2O)OCO3)C1 1967895152 KLPQACSZDNWLIU-ONGXEEELSA-N 281.308 0.608 10 10 CCCE CC[C@@H]1C(=O)NCCN1c1ccc2c(c1)NC(=O)[C@H]2N 251800621 YERROUYOIUTMCA-NEPJUHHUSA-N 274.324 0.353 10 10 CCCE CS(=O)(=O)N1CCN(Cc2cccc(F)c2O)CC1 160233350 FHDNSJSMBALXCZ-UHFFFAOYSA-N 288.344 0.609 10 10 CCCE CN(C)[C@@H]1CCN(C(=O)COc2ccc(N)cc2)C1 62964329 FDSWHKBBAPVIJB-GFCCVEGCSA-N 263.341 0.810 10 10 CCCE O=C(O)[C@@H]1[C@H]2CC[C@@H]2CN1C(=O)c1cc(O)nc(O)c1 2157099047 QXNXVEUQLLQYKI-ZYAQMDEOSA-N 278.264 0.428 10 10 CCCE NS(=O)(=O)NCCCNCc1ccc2c(c1)CCCO2 2157530156 VAECDEXSFBZIMH-UHFFFAOYSA-N 299.396 0.284 10 10 CCCE NC[C@@H]1CN(C(=O)c2cccc(O)c2O)CCCO1 313388861 TWEBBXSMFDRWHC-SECBINFHSA-N 266.297 0.288 10 10 CCCE COCCNCc1ccc(N2C[C@@H](CO)[C@@H](O)C2)cc1 316639703 VFPHYQPLEWJOJZ-ZFWWWQNUSA-N 280.368 0.212 10 10 CCCE CN(C(=O)[C@H]1CC[C@H](C(=O)O)N1C)c1ccc(N)cc1 704618123 JIPAJAYFYIACKN-VXGBXAGGSA-N 277.324 0.779 10 10 CCCE Nc1cc2c(cc1N1CC(n3cncn3)C1)OCCO2 707398745 IFPYGVFYAMDAQZ-UHFFFAOYSA-N 273.296 0.693 10 10 CCCE CO[C@H]1C[C@H](CO)N(C(=O)c2cccc(O)c2O)C1 381989499 JSFWWAGQZFBQDU-BDAKNGLRSA-N 267.281 0.320 10 10 CCCE COC(=O)N1CCN(c2ccc(CN)cc2C#N)CC1 387367987 WBVHMQMXAHJIDI-UHFFFAOYSA-N 274.324 0.905 10 10 CCCE COc1ccc(CNC[C@@H]2[C@@H]3CS(=O)(=O)C[C@@H]32)c(O)c1 2174617116 HVHWXLIOIFKZOD-CLLJXQQHSA-N 297.376 0.781 10 10 CCCE Cn1cc([C@@H](NCCN=[N+]=[N-])C(N)=O)c(C(F)(F)F)n1 2178743419 NIDKQVOVZUWHAD-ZCFIWIBFSA-N 291.237 0.865 10 10 CCCE COC(=O)[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)C(C)C 2188868430 QZEDNKDMLMLUKN-JTQLQIEISA-N 283.280 0.731 10 10 CCCE O=C(N[C@@H](CC(F)F)C(=O)O)c1cc(O)c(O)c(O)c1 2188868014 KRYCUBRKGIHZFX-YFKPBYRVSA-N 291.206 0.642 10 10 CCCE CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(O)c(O)c(O)c1 2188925604 WYTXQGKITHSUJP-UWVGGRQHSA-N 278.308 0.722 10 10 CCCE C[C@](CN)(NC(=O)c1cc(O)c(O)c(O)c1)C(F)(F)F 2188909938 POKGGJMPPYNKSY-SNVBAGLBSA-N 294.229 0.813 10 10 CCCE COc1nc(C2=S=Nc3ccccc32)[nH]c(=N)n1 2041915088 VYSHUBFRHOOMTD-UHFFFAOYSA-N 259.294 0.773 10 10 CCCE OC[C@]12CN(c3ccc4c(c3)CC[C@H]4O)C[C@@]1(CO)C2 2184735658 JQPWPZXBQHZTGC-OAGGEKHMSA-N 275.348 0.847 10 10 CCCE COc1ccc(N2CCN[C@H](CCO)C2)c(F)c1 2044339824 CCBZKLPNXLHXEW-SNVBAGLBSA-N 254.305 0.995 10 10 CCCE COc1cccc(O)c1CN[C@@H]1C[C@@H](O)C[C@H]1O 2046488721 RGTGILIFVBWVNG-HLUHBDAQSA-N 253.298 0.375 10 10 CCCE Nc1ccc(CS(=O)(=O)NC2([C@H]3CCNC3)CC2)cc1 2191694759 GSSGSQJWVIGPTH-LBPRGKRZSA-N 295.408 0.830 10 10 CCCE NC[C@H]1C[C@H](NC(=O)c2cc(O)c(O)c(O)c2)C1 2068621905 SIRSENOGAHPOJL-FKQCQYRASA-N 252.270 0.271 10 10 CCCE C[C@@H](NC(=O)C[C@@H](N)C(=O)O)c1ccccc1O 2072490421 MDPKTUIBAQRJSI-VXNVDRBHSA-N 252.270 0.371 10 10 CCCE C[C@]1(CN)COCCN(C(=O)c2cccc(O)c2O)C1 2199843902 RQUJNPNRQNAXIZ-CQSZACIVSA-N 280.324 0.535 10 10 CCCE COC(=O)[C@H](N)CNCc1ccc2c(c1)CCCO2 2104271994 QNEVFXVDYDPTSB-GFCCVEGCSA-N 264.325 0.602 10 10 CCCE CNC[C@@H]1CCCN1C(=O)Cc1ccc(O)c(O)c1 2087728794 HFRBWSXVQQISIM-NSHDSACASA-N 264.325 0.851 10 10 CCCE O=C1CCN(C(=O)c2ccc(O)c(O)c2)CCCN1 2089104533 UZHMYOTXXZQXRK-UHFFFAOYSA-N 264.281 0.450 10 10 CCCE NCc1ccc(N2CCOC[C@@H]2[C@@H](O)CO)cc1Cl 2090135164 DCJATPZZGPTLKW-OLZOCXBDSA-N 286.759 0.357 10 10 CCCE O=C(O)[C@](O)(CNCc1ccccc1O)C(F)(F)F 2099337396 VKCKLMJETFEFCT-SNVBAGLBSA-N 279.214 0.860 10 10 CCCE Nc1cc2c(cc1N1CC[C@H](O)C[C@@H]1CO)OCCO2 2200832875 NKWGSKGAGALOSV-ZJUUUORDSA-N 280.324 0.362 10 10 CCCE CCS(=O)(=O)C[C@H](C)NC(=O)c1ccc(O)c(O)c1 2114222854 FZZMXCDRKVFRPS-QMMMGPOBSA-N 287.337 0.651 10 10 CCCE CN[C@@H]1CN(S(=O)(=O)Cc2ccc(N)cc2)CC12CC2 2205856676 DVEASEFTAKKBKP-CYBMUJFWSA-N 295.408 0.782 10 10 CCCE C[C@@H](O)CN(C(=O)c1cc(O)nc(O)c1)C1CCC1 2272330861 KIQIUJYPSDBHAO-MRVPVSSYSA-N 266.297 0.868 10 10 CCCE COc1ccc(N2C[C@@H](O)C[C@H](O)C2)c(C=O)c1 2220433051 PYXYPTCVRQHUHO-QWRGUYRKSA-N 251.282 0.440 10 10 CCCE O[C@H]1[C@@H](NCc2ccc3c(c2)CCO3)CCC[C@H]1O 2224349896 RSLXIUZSEQPQLP-GUTXKFCHSA-N 263.337 0.985 10 10 CCCE COc1ccc(N2CC[C@@H](NS(C)(=O)=O)C2)c(C=O)c1 2235988101 JLNQTCAVOIWEIM-LLVKDONJSA-N 298.364 0.636 10 10 CCCE COc1ccc(N2CC[C@H](C)[C@H]2C(N)=O)c(CO)c1 2227710665 HSLUNLMBJDHGIL-ZANVPECISA-N 264.325 0.888 10 10 CCCE COc1ccc(N(C)Cc2nnnn2C)c(CO)c1 2227709347 SQJKZCAOGYRSHS-UHFFFAOYSA-N 263.301 0.347 10 10 CCCE NCCCCS(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1 2227907509 SMNYRWVVZGLWLI-UHFFFAOYSA-N 289.313 0.781 10 10 CCCE O=C(NCCc1c[nH]nc1O)c1cc(O)c(O)c(O)c1 2240557400 HGRVLCMUYXFLDY-UHFFFAOYSA-N 279.252 0.205 10 10 CCCE C[C@@H](N)c1ccc(N2CC[C@@H]2[C@@H](O)CO)c(F)c1 2258343906 DOHDOANFWPYDTF-WQHBLYJGSA-N 254.305 0.777 10 10 CCCE C[C@@H](CNC(=O)c1cc(O)nc(O)c1)Cc1cn[nH]c1 2290432710 XYAYAGVZKXCJAP-MRVPVSSYSA-N 276.296 0.825 10 10 CCCE CCN[C@H](C)c1ccc(N2CC(O)(C(N)=O)C2)cc1C 2285124175 MQTDIZNWHWWTFX-LLVKDONJSA-N 277.368 0.702 10 10 CCCE NC[C@]12CCO[C@H]1CN(C(=O)c1cccc(O)c1O)C2 2296385586 UBHRZQVBGHXJKO-FZMZJTMJSA-N 278.308 0.288 10 10 CCCE CCN[C@H](C)c1ccc(N2CC[C@@H]2[C@H](O)CO)cc1O 2286228113 OQOPEKZOICOEEI-WDBKCZKBSA-N 280.368 0.995 10 10 CCCE CN(C)c1ccc([C@H](O)[C@@H](N)CS(C)(=O)=O)cc1 2313847042 CLBGDTXKTLOHPF-RYUDHWBXSA-N 272.370 0.158 10 10 CCCE OCC[C@H](O)CCNCc1ccc(O)c(O)c1O 2326775335 QPRANCQNZXGGRZ-SECBINFHSA-N 257.286 0.026 10 10 CCCE COc1ccc(O)c(CNCC[C@H](O)CCO)c1 2326769702 FTEPUHHCGSVZKB-NSHDSACASA-N 255.314 0.624 10 10 CCCE NC[C@@H]1C[C@@H](NC(=O)c2ccc(O)c(O)c2)[C@@H]2C[C@H]12 2329882341 YQZJOVIHOPDEQO-LNFKQOIKSA-N 262.309 0.811 10 10 CCCE O=C(NC[C@H]1C[C@@H]2CC[C@H]1N2)c1cccc(O)c1O 2330509255 AUZQWSVECPVMOI-WCABBAIRSA-N 262.309 0.968 10 10 CCCE O=C(O)[C@@H]1[C@@H]2C[C@H]1N(C(=O)c1cccc(O)c1O)C2 2333063186 KBEKZSIOSQIALO-GTNGPMTGSA-N 263.249 0.643 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H]1CC[C@@H]2C[C@H]12 2353942935 DTNMOWAASYCODX-RHYQMDGZSA-N 276.336 0.882 10 10 CCCE COc1cc(N)c(N2C[C@@H]3C[C@H]2[C@@H](O)[C@H]3O)cc1OC 2354478817 RYZRCCFGYRIQIB-ZMHRIIPESA-N 280.324 0.216 10 10 CCCE O=C(N[C@@H]1C[C@H]2CC[C@]1(CO)C2)c1cc(O)nc(O)c1 2354526123 JEDDHNYUXIRRDB-PJCOJXEDSA-N 278.308 0.774 10 10 CCCE C[C@H](c1ccc(F)cc1O)N(C)CC(=O)N1CCNCC1 62749186 MIEDFOPTCNQGCI-LLVKDONJSA-N 295.358 0.956 10 10 CCCE C[C@@H](c1c(O)cccc1O)N1CCO[C@H](CN)C1 300443503 WKUQJEBIRSGITR-VHSXEESVSA-N 252.314 0.818 10 10 CCCE Nc1ccc(OC[C@@H](O)CN2C[C@@H]3C[C@@H]3[C@@H]2CO)cc1 2357560992 ZYLSDSCWHLXZST-LVGORTOPSA-N 278.352 0.321 10 10 CCCE NC(=S)[C@H](NC(=O)c1cccc(O)c1O)C1CC1 126160300 BMZSROUGESPWED-SECBINFHSA-N 266.322 0.892 10 10 CCCE COC[C@H](O)CCNCc1ccc(OC)cc1O 153783851 QKPFMKISZRJHAS-LLVKDONJSA-N 255.314 0.888 10 10 CCCE CO[C@@H]1[C@@H](OC(C)=O)[C@H](N=[N+]=[N-])[C@@H](C)O[C@@H]1OC(C)=O 77272141 ODLASXVOYXIJIR-HDYLDQSBSA-N 287.272 0.920 10 10 CCCE in-vitro CCn1ncnc1CN(CC(N)=O)Cc1ccc(N)cc1 88595731 DVIYMUTZYASOKN-UHFFFAOYSA-N 288.355 0.368 10 10 CCCE CCNC(=O)[C@H](C)NCc1ccc(O)c(O)c1O 233492524 FHCBSODRMKWSPC-ZETCQYMHSA-N 254.286 0.418 10 10 CCCE CCNCc1ccc(N2C[C@H](O)[C@@H](O)C2)c(F)c1 233548330 PITNDIMUIQBKMR-STQMWFEESA-N 254.305 0.477 10 10 CCCE CC(C)NCc1ccc(N2C[C@H](O)[C@H](O)C2)c(F)c1 232652486 SNLHWLNSWFBUBN-OKILXGFUSA-N 268.332 0.866 10 10 CCCE [N-]=[N+]=NC[C@H](O)COC1=CC=C[C@@H]2N=c3ccccc3=C12 604933942 FABPCNCKWOVXHG-GWCFXTLKSA-N 282.303 0.981 10 10 CCCE COc1ccc(N2CCC[C@@H](NC(N)=O)C2)c(N)c1 702149819 VGXWTUOPUZMUFB-SECBINFHSA-N 264.329 0.915 10 10 CCCE CN(C[C@@H](O)CN)C(=O)/C=C\c1ccc(N(C)C)cc1 701397949 BVMOPUIOEXFUJW-PIZKADEWSA-N 277.368 0.544 10 10 CCCE O=C(N[C@H]1CCn2ncnc2C1)c1ccc(O)c(O)c1 2165276207 IJUKVQKNPAVADT-VIFPVBQESA-N 274.280 0.434 10 10 CCCE COc1ccc(N2CCOC[C@@]2(CN)CO)cc1OC 2162672235 JPMDZPGWVWEQSG-CQSZACIVSA-N 282.340 0.230 10 10 CCCE CC(=O)C(=O)COC(=O)c1cccnc1N1CCCC1 808496803 IDUQYZGJVRUYMM-UHFFFAOYSA-N 276.292 0.997 10 10 CCCE N[C@@H](c1ccc(Br)cc1O)[C@@H](O)C(=O)O 713736163 VIXIJRXIPPZZHC-JGVFFNPUSA-N 276.086 0.600 10 10 CCCE C[C@H]1CN(C)C[C@@H]1NS(=O)(=O)Cc1ccc(N)cc1 722246356 UJYTZMRBFXHJNV-GWCFXTLKSA-N 283.397 0.638 10 10 CCCE Nc1ccc(CC(=O)NC[C@@H]2C[C@H]3COC[C@H]3O2)cc1 724600069 OMBKAXGZTHJHQK-FPMFFAJLSA-N 276.336 0.731 10 10 CCCE CCCCN(CC(N)=O)c1ccc2c(c1)NC(=O)[C@@H]2N 723195393 KMMOBCJPDANNAC-CYBMUJFWSA-N 276.340 0.730 10 10 CCCE CN1CCN(C)CC(C(=O)NCc2c(O)cccc2F)C1 928709257 HHEIPZONKGBBGZ-UHFFFAOYSA-N 295.358 0.641 10 10 CCCE OCc1cc(F)c(N2C[C@H](O)C[C@H]2CO)c(F)c1 698129772 NCKBROQOEQWVQV-DTWKUNHWSA-N 259.252 0.389 10 10 CCCE O=C(NCc1ccccc1O)[C@H]1CNCC1(F)F 700540927 RYGMLRHRKHTPIA-SECBINFHSA-N 256.252 0.863 10 10 CCCE COC(=O)[C@@H](O)CCNCc1ccc(O)cc1O 83408731 NJFBGFMUFOFBRN-JTQLQIEISA-N 255.270 0.111 10 10 CCCE CN1C[C@@H](NC(=O)CCc2ccc(N)cc2)CCC1=O 84058811 DNAXPQZHMGEFMA-ZDUSSCGKSA-N 275.352 0.938 10 10 CCCE Nc1ccc(CCC(=O)N2CCOC[C@@H]2CCO)cc1 694958219 IVMMAAMRDXBCDJ-AWEZNQCLSA-N 278.352 0.811 10 10 CCCE CN1CCN(Cc2cc(F)ccc2O)C[C@H]1C(=O)O 686101359 KQIGVNIKEBCBSN-NSHDSACASA-N 268.288 0.732 10 10 CCCE CN(C)C[C@@H]1C[C@@H](O)CN1C(=O)Nc1ccc(N)cc1 97248561 DECJQUKCPAVASB-QWHCGFSZSA-N 278.356 0.798 10 10 CCCE Oc1ccccc1CNC[C@@H]1C[C@H]2C[C@H]1[C@H](O)[C@@H]2O 2117790166 RDMPYGXZDVOVBL-OBORUHMCSA-N 263.337 0.860 10 10 CCCE Nc1ccc(CCCNC2[C@@H]3CS(=O)(=O)C[C@@H]23)cc1 2118040626 JVMVQVGHIWSIOX-CHWSQXEVSA-N 280.393 0.834 10 10 CCCE CN(C)[C@H]1CN(c2ccc3c(c2)CC[C@@H]3N)C[C@H]1O 2128326164 CIWCPZWNXWCIKO-SOUVJXGZSA-N 261.369 0.744 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CC12CC(O)C2 1635899394 SUZJKCCQOQXNBL-PEUVISTOSA-N 263.293 0.670 10 10 CCCE NCC1CC2(C1)CN(C(=O)c1ccc(O)c(O)c1)C2 2129987578 CKBJWVQLPYYAIH-UHFFFAOYSA-N 262.309 0.909 10 10 CCCE O=C(O)[C@@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)O1 2132348071 DAMGUBIBZKPELJ-QMMMGPOBSA-N 269.209 0.034 10 10 CCCE C[C@@H]1CCN[C@H]1CNC(=O)c1cc(O)c(O)c(O)c1 2132402427 YVMFOPKEKOKSNQ-APPZFPTMSA-N 266.297 0.531 10 10 CCCE NC[C@H]1CC=CCN1C(=O)c1cc(O)c(O)c(O)c1 2132402281 YKGMOPNPXYFDBB-SECBINFHSA-N 264.281 0.533 10 10 CCCE CN(Cc1cnsn1)C(=O)c1cc(O)c(O)c(O)c1 2132401420 UFZDPFYZEDOKOX-UHFFFAOYSA-N 281.293 0.927 10 10 CCCE CN(C[C@H]1CCCN1)C(=O)c1cc(O)c(O)c(O)c1 2132414197 UVCZDBDFTSJAHQ-SECBINFHSA-N 266.297 0.627 10 10 CCCE C[C@@H](N)C[S@](C)(=O)=NC(=O)c1cc(O)c(O)c(O)c1 2132411991 ZINBHKKJVURWTG-YIVBRQOJSA-N 288.325 0.389 10 10 CCCE CC(=O)C(=O)COC(=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O 1346807575 FTQLVVICYZEJEA-NEPJUHHUSA-N 295.335 0.869 10 10 CCCE C[C@H](C(=O)N1CCOCC1)N1CC[C@@H](N=[N+]=[N-])C1 1912157158 WYVYDUIKMDJLHM-NXEZZACHSA-N 253.306 0.618 10 10 CCCE C[C@](NCCCN=[N+]=[N-])(C(N)=O)[C@@H]1C[C@@H]2CCO[C@@H]12 1912196853 YWJDBSMYBQXBLH-BTQIBKBOSA-N 267.333 0.945 10 10 CCCE CN1CCC[C@H]1CNS(=O)(=O)Cc1ccc(N)cc1 225944323 VQAOPQBYDPENHE-ZDUSSCGKSA-N 283.397 0.782 10 10 CCCE CN1C[C@@H](NCc2ccc(O)c(O)c2O)CCC1=O 226757397 JTWSYJJJBPSFIH-VIFPVBQESA-N 266.297 0.514 10 10 CCCE CNC[C@@H]1C(=O)N(C)CCN1c1ccc(OC)cc1 216993071 QLMIECYXCDNKMC-CYBMUJFWSA-N 263.341 0.562 10 10 CCCE NC(=O)c1[nH]cnc1NCc1cc(F)ccc1O 106244980 LXVUFJVVWAMMBQ-UHFFFAOYSA-N 250.233 0.965 10 10 CCCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1COC(=O)N1 1633817865 BSDIWLQLFOFSDY-IONNQARKSA-N 280.280 0.253 10 10 CCCE COc1cc(N2CCOC[C@]2(C)CO)ccc1CN 2139697785 ZMXDPJZTSZUXPG-AWEZNQCLSA-N 266.341 0.742 10 10 CCCE COc1cc(N2C[C@@H]3[C@H](C(N)=O)[C@@H]3C2)ccc1CN 2139682957 OTAAYHKUMRJXSH-PTEHBNRSSA-N 261.325 0.321 10 10 CCCE COc1cc(N2CCCN(C)C(=O)C2)ccc1CN 2139686214 TYXSGHRWDNDOJU-UHFFFAOYSA-N 263.341 0.822 10 10 CCCE C[C@H](CNCCO)NC(=O)c1ccc(N=NC(N)=O)cc1 1699391599 PUUJNVYVMLLMLL-SECBINFHSA-N 293.327 0.549 10 10 CCCE COC[C@@H](N)C(=O)N1CCN(c2ccc(OC)cc2)CC1 159107829 HHYQXUWOTCZPOS-CQSZACIVSA-N 293.367 0.318 10 10 CCCE C[C@@H](NC(=O)[C@@H](C)Oc1ccc(N)cc1)C(=O)O 1860080530 IXJWFGUAEXDCDI-HTQZYQBOSA-N 252.270 0.625 10 10 CCCE COCC[S@@](=O)CCNCc1cc(OC)ccc1O 2142034809 GYNRGIZUUXJHFE-IBGZPJMESA-N 287.381 0.886 10 10 CCCE Cc1cc(CN)ccc1N1C[C@@H]2C[C@H]1CN2C(N)=O 1877074009 MTYRARKZPLYHRZ-RYUDHWBXSA-N 260.341 0.795 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1C[C@H]2CS(=O)(=O)C[C@H]2C1 2144165383 TUUCFZSWCUGCEA-AOOOYVTPSA-N 297.332 0.214 10 10 CCCE C[C@H](NC(=O)[C@@H]1[C@@H]2NCCO[C@H]21)c1ccccc1O 1877584655 AEFOCBDYEOKSSW-MHNYQROPSA-N 262.309 0.556 10 10 CCCE O=C1NCCN1CCNCc1cccc(F)c1O 895814994 VHDIVNROIRZECP-UHFFFAOYSA-N 253.277 0.646 10 10 CCCE CS(=O)(=O)C[C@@H]1CN(Cc2ccccc2O)CCO1 897596028 RDNLWEPHCKCFMF-LBPRGKRZSA-N 285.365 0.638 10 10 CCCE O=C(O)C1(O)CCN(Cc2cc(F)ccc2O)CC1 1970364144 XRRGHVCSAZHYPA-UHFFFAOYSA-N 269.272 0.943 10 10 CCCE N=c1cc(C(=O)NCCc2ccc(O)c(O)c2)cc[nH]1 2148006139 XLZNJWODUZCQOL-UHFFFAOYSA-N 273.292 0.878 10 10 CCCE C[C@]1(C(=O)O)CN(Cc2ccccc2O)C(=O)CO1 257854393 BRJOIBWITGNKQF-CYBMUJFWSA-N 265.265 0.594 10 10 CCCE Nc1ccc(N2C[C@@]3(CCS(=O)(=O)C3)OC2=O)cc1 258560149 OLIJEPCGTBYUMR-GFCCVEGCSA-N 282.321 0.783 10 10 CCCE NC(=O)CN(Cc1ccc(N)cc1)C(=O)C1CC(F)C1 2148902490 UUBXCEKLEWOXMY-UHFFFAOYSA-N 279.315 0.831 10 10 CCCE Nc1ccc(OCC(=O)NC[C@@H]2COCCO2)cc1 40305968 OMAWGNHKFXQVBO-GFCCVEGCSA-N 266.297 0.179 10 10 CCCE CN1CCO[C@H]2CN(C(=O)Nc3ccc(N)cc3)C[C@@H]21 2153998452 UNVJKJZCXPMHMU-STQMWFEESA-N 276.340 0.816 10 10 CCCE OCC[C@H]1CN(c2ccc(CO)cc2)C[C@H]1CO 2032550162 NPRPRLYVGURSCQ-STQMWFEESA-N 251.326 0.606 10 10 CCCE CC[C@@H](N)c1ccc(N2CCC(O)(C(N)=O)CC2)cc1 312337703 VJNYQHQXOWRNNI-CYBMUJFWSA-N 277.368 0.913 10 10 CCCE Oc1ccc(CNC2CC(n3cncn3)C2)c(O)c1O 2159854306 BUAOSNJPWBYVBN-UHFFFAOYSA-N 276.296 0.888 10 10 CCCE C[C@@H](NC(=O)COc1ccc(N)cc1)[C@H]1COCCO1 2159995296 SZUFDLKLVZWWLW-ZWNOBZJWSA-N 280.324 0.568 10 10 CCCE COc1ccc(CNCc2nc(C(N)=O)co2)c(O)c1 2160641120 OFOVPEMUGAVHDM-UHFFFAOYSA-N 277.280 0.778 10 10 CCCE O=C(O)[C@@H]1CO[C@H]2CN(Cc3ccc(O)c(O)c3)C[C@@H]12 2160859918 RWJNXXVBLHUZNE-CWSCBRNRSA-N 279.292 0.629 10 10 CCCE C[C@@H](c1ccccc1O)N(C)C(=O)[C@H](N)CC(=O)O 85816751 QPQUUQVQVFDIAU-WCBMZHEXSA-N 266.297 0.714 10 10 CCCE CN(Cc1ncn(C)n1)C(=O)CCc1ccc(N)cc1 2178356602 SGMNQOOFMXWEJE-UHFFFAOYSA-N 273.340 0.989 10 10 CCCE C[C@@H](c1nn[nH]n1)N(C)C(=O)CCc1ccc(N)cc1 707244697 MIGYCKNSLUEEGX-VIFPVBQESA-N 274.328 0.934 10 10 CCCE O=C(N[C@H]1CCN(C2CC2)C1=O)c1cccc(O)c1O 709056528 CZTJFNAHNSBXBP-JTQLQIEISA-N 276.292 0.591 10 10 CCCE CCN(C[C@H](C)O)C[C@@H](O)COc1ccc(N)cc1 691423616 JJWUNEMLRRGNDG-WCQYABFASA-N 268.357 0.711 10 10 CCCE CNC(=O)CN(CC(=O)NC)[C@@H](C)c1ccccc1O 720535541 DKYYXEYRUPCGQQ-JTQLQIEISA-N 279.340 0.247 10 10 CCCE CN(C(=O)CCc1ccc(N)cc1)C1(C(=O)O)COC1 2173119424 AEXJQQKGAFPFOD-UHFFFAOYSA-N 278.308 0.513 10 10 CCCE O=C(NC[C@@H]1CCNC12CCC2)c1cc(O)nc(O)c1 2177324159 VIYMVJXMHJULDY-JTQLQIEISA-N 277.324 0.755 10 10 CCCE COc1ccc([C@H](C)N[C@@H]2CCO[C@H]2C(N)=O)c(O)c1 2174104179 RPGYRHKAOQUFAS-RLCGTCKNSA-N 280.324 0.694 10 10 CCCE OCc1cc(F)c(N2C[C@H]3COC[C@@H](C2)C3O)c(F)c1 2167777916 JGKHMSXBBGVHTK-XFLKPENQSA-N 285.290 0.901 10 10 CCCE CN(Cc1ccc(N)cc1)C(=O)C1[C@@H]2CS(=O)(=O)C[C@@H]12 2174591549 BDCRJQKWXNHVTF-VXGBXAGGSA-N 294.376 0.518 10 10 CCCE O[C@@]1(COc2ccc(N3CCNCC3)cc2)CCOC1 2169648123 SPPCCUXJWPNBBH-HNNXBMFYSA-N 278.352 0.626 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N3[C@H]4C[C@@H]3CN(C)C4)ccc21 2187623992 UOYIOPHQXMFXEK-UHIISALHSA-N 272.352 0.792 10 10 CCCE C[C@H](c1ccccc1O)N(C)Cc1nc(=N)[nH]c(=N)[nH]1 2192599451 AUXQNGZTVUKYOL-MRVPVSSYSA-N 274.328 0.595 10 10 CCCE C[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)C[C@]1(C)CN 2188918100 BNYGRSYNJZNCJA-CLAHSXSESA-N 280.324 0.860 10 10 CCCE OC[C@@H]1COCC[C@H]1NCc1cc2c(cc1O)OCO2 2193252868 JCFVVOIOPWQXME-GHMZBOCLSA-N 281.308 0.608 10 10 CCCE CN(C)C(=O)C1(NCc2ccc(O)c(O)c2)CC1 2041822495 UTMCTKRRRYGMMV-UHFFFAOYSA-N 250.298 0.808 10 10 CCCE CN[C@@H]1CCc2cc(N3CC[C@](O)(C(N)=O)C3)ccc21 2184721559 NJKLJCOIOHGPIX-UKRRQHHQSA-N 275.352 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10 10 CCCE COC[C@]1(O)CCN(C(=O)c2cccc(O)c2O)C1 1963775979 YXHQYUZHGYFUNI-ZDUSSCGKSA-N 267.281 0.321 10 10 CCCE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(N=[N+]=[N-])C1 1885560254 ADRLAHRPVFYDLM-VXNVDRBHSA-N 299.331 0.782 10 10 CCCE CC1(C)C[C@@]1(N)C(=O)NCCc1ccc(O)c(O)c1 1968739026 JOAGHDBAOPNYGO-CQSZACIVSA-N 264.325 0.884 10 10 CCCE CN(CCCN=[N+]=[N-])CC1[C@@H]2CS(=O)(=O)C[C@@H]12 2006200416 FDONNOLUCHDBMF-UWVGGRQHSA-N 258.347 0.909 10 10 CCCE N[C@@H]1C[C@@H](O)CN(Cc2c(O)cccc2Cl)C1 1971888887 JLDCZRVOYQNDHR-RKDXNWHRSA-N 256.733 0.940 10 10 CCCE CCO[C@H]1CN(C(=O)c2cc(O)nc(O)c2)CC[C@@H]1N 2146779315 XUUTUAFPLACGCY-UWVGGRQHSA-N 281.312 0.071 10 10 CCCE C[C@H](O)c1ccc(N2CC(OCCO)C2)c([N+](=O)[O-])c1 2152287832 NWCMTFWNFFMPIH-VIFPVBQESA-N 282.296 0.846 10 10 CCCE CCOC(=O)[C@H](C)NS(=O)(=O)Cc1ccc(N)cc1 49369502 GVHHMCUPQAWALX-VIFPVBQESA-N 286.353 0.640 10 10 CCCE C[C@H]1C[C@H](CO)CN1C(=O)c1cc(O)nc(O)c1 2038875151 SJBZMTZEDYJTRA-YUMQZZPRSA-N 252.270 0.336 10 10 CCCE Nc1ccc(CS(=O)(=O)NCCN2CCCC2)cc1 54111701 HJDLKRKAVCKDDE-UHFFFAOYSA-N 283.397 0.784 10 10 CCCE OCCC[C@@H](CO)NCc1cc(F)cc(F)c1O 2029926570 AAYMSJLUJXZLTC-JTQLQIEISA-N 261.268 0.893 10 10 CCCE C[C@@H](O)c1ccc(N(C)CC(CO)CO)cc1O 2033029769 LCEVLGPYRGVSKR-SECBINFHSA-N 255.314 0.483 10 10 CCCE Oc1ccc(-c2noc([C@@H]3CNC[C@H](O)C3)n2)cc1O 401825377 LOUDIFYKUUYQLD-DTWKUNHWSA-N 277.280 0.586 10 10 CCCE Nc1ccc(CC(=O)NCc2cc(C(=O)O)n[nH]2)cc1 2158216555 FAQMJMBKOMUQQI-UHFFFAOYSA-N 274.280 0.549 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CCO[C@@H]2CCNC[C@H]21 404181760 HRVSDNDKEMQXKF-ZWNOBZJWSA-N 278.308 0.301 10 10 CCCE CC[C@@](C)(NC(=O)c1ccc(O)c(O)c1)C(N)=O 310891997 YMMFMCNGOYPIRJ-GFCCVEGCSA-N 252.270 0.482 10 10 CCCE CO[C@H]1C[C@H](CO)N(C(=O)CCc2ccc(N)cc2)C1 312956808 ITFJANTZZQVMND-KGLIPLIRSA-N 278.352 0.810 10 10 CCCE CN(C)C(=O)[C@H]1CNCCN1Cc1ccccc1O 89083717 QXYLVBXCVLNIJR-GFCCVEGCSA-N 263.341 0.254 10 10 CCCE CN(C)C(=O)[C@H]1CNCCN1Cc1cc(Cl)ccc1O 89083194 JQHRFJOJMQOLDX-GFCCVEGCSA-N 297.786 0.908 10 10 CCCE C[C@]1(CO)C[C@H](O)CN1CCc1ccc(N)cc1 704688381 JPDZRSJHPQJSPP-UONOGXRCSA-N 250.342 0.629 10 10 CCCE C[C@@H]1CC(=O)NCCN1c1ccc(CN)c(F)c1 687912311 GRYKSPBWSIPVBB-SECBINFHSA-N 251.305 0.999 10 10 CCCE C[C@@H]1CCC[C@@]1(O)CNC(=O)c1cc(O)nc(O)c1 380931086 OFFJCJOMNIPKOG-AMIZOPFISA-N 266.297 0.774 10 10 CCCE O=C(CNCc1ccc(O)c(O)c1O)NCC(F)F 393703875 LSBADWLXECOVBT-UHFFFAOYSA-N 276.239 0.274 10 10 CCCE COc1ccc(O)c([C@H](C)N[C@H]2CONC2=O)c1 393740995 BTODNBSPJROSSD-XVKPBYJWSA-N 252.270 0.481 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CCC[C@@H](OCCO)C1 2170219601 XVLMINZVRDKRJK-LLVKDONJSA-N 281.308 0.711 10 10 CCCE C[C@]1(O)CCN(CC(=O)Nc2ccc(N)cc2)C[C@H]1O 2197968614 VKFFBAKAVLRSKP-OCCSQVGLSA-N 279.340 0.025 10 10 CCCE O=C(N[C@@]1(C(=O)O)CCSC1)c1cc(O)c(O)c(O)c1 2188867619 DHSFVWSYILTIJW-LBPRGKRZSA-N 299.304 0.494 10 10 CCCE CN(C[C@H]1[C@@H]2COC[C@@H]21)C(=O)c1cc(O)c(O)c(O)c1 2188911209 AXDAIKZLXGNAPW-OWUUHHOZSA-N 279.292 0.768 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3C[C@@H]4[C@H](CO)[C@@H]4C3)ccc21 2182050169 FCJGZGIWMZCBJN-OPDFLTKYSA-N 273.336 0.574 10 10 CCCE O=C(CN1C[C@@H]2CC[C@@]2(CO)C1)c1ccc(O)c(O)c1 2198877810 MUIFCCQMYCANME-NHYWBVRUSA-N 277.320 0.985 10 10 CCCE CN1CC[C@@H](CCNC(=O)c2cccc(O)c2O)C1=O 2194702864 DGAGYEFCPAPWCZ-SECBINFHSA-N 278.308 0.696 10 10 CCCE Nc1ccc(CCN2CC(=O)N3CCOC[C@@H]3C2)cc1 2185857207 CTJQFTWHXQXWSP-AWEZNQCLSA-N 275.352 0.354 10 10 CCCE Nc1ccc(OCCC(=O)N=[S@@]2(=O)CC[C@@H](N)C2)cc1 2191677978 GCRPOILPBBAHGC-BIBXISHDSA-N 297.380 0.763 10 10 CCCE COc1ccc(N2CCN(C[C@@H]3CC(=O)N3)CC2)cc1 2196039476 OJJPLFXUXMRFPY-LBPRGKRZSA-N 275.352 0.706 10 10 CCCE CC(=O)N1C[C@H]2C[C@H]1CN2C(=O)c1ccc(O)c(O)c1 2192237791 XNFAOBJMJZHBQR-WDEREUQCSA-N 276.292 0.543 10 10 CCCE COc1cccc(O)c1CN1C[C@H]2C[C@H]1CN2C(N)=O 2192236724 UQFDZGKNFLJGSC-VHSXEESVSA-N 277.324 0.738 10 10 CCCE NCC1(c2nc(-c3ccc(O)c(O)c3)no2)CC(O)C1 2187996998 CQEXHGLDKZFGKF-UHFFFAOYSA-N 277.280 0.499 10 10 CCCE CC[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)[C@@H](C)O 2068578106 QSQCYCFCWIDTDX-HTRCEHHLSA-N 255.270 0.693 10 10 CCCE C[C@H]1C[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)CN1 2068625508 YUSCFTBUIFQHJO-POYBYMJQSA-N 252.270 0.284 10 10 CCCE Nc1ccc(NC(=O)N[C@@H]2COC[C@@H]2CO)cc1 2071568439 MFYQSCMOBUCSAC-GZMMTYOYSA-N 251.286 0.398 10 10 CCCE CC1(C)[C@@H](O)C[C@@]1(CO)NCc1ccc(N)cc1 2073611402 RZCJBGOJFHIYGB-JSGCOSHPSA-N 250.342 0.880 10 10 CCCE C[C@]1(O)CN(c2ccc([N+](=O)[O-])c(CO)c2)CC[C@@H]1O 2201543560 LHCCPPQCURLUBK-STQMWFEESA-N 282.296 0.409 10 10 CCCE COc1cccc(CN[C@H](C(=O)O)C2COC2)c1O 2104900282 LCNQJBBTQBFKQO-NSHDSACASA-N 267.281 0.590 10 10 CCCE CN(C)c1ccc([C@@H](NN)[C@@H]2COCCN2C)cc1 2106858414 WSBNMKDECZZHBH-UONOGXRCSA-N 264.373 0.588 10 10 CCCE NC(=O)CO[C@@H]1CCN(Cc2cc(N)ccc2O)C1 2089134924 HEPMLAXCXASXJF-LLVKDONJSA-N 265.313 0.051 10 10 CCCE COCC[C@@H](N)C(=O)NCCc1ccc(O)c(O)c1 2091755813 PXQIQYUNLOOKAT-SNVBAGLBSA-N 268.313 0.120 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)c1cnc(O)[nH]1 2091750367 DXKVWTUIQMEEKU-UHFFFAOYSA-N 263.253 0.499 10 10 CCCE NC[C@@H]1[C@@H]2CCN(C(=O)c3ccc(O)c(O)c3)C[C@H]21 2093095572 RYVITSVQYDUFQE-HBNTYKKESA-N 262.309 0.765 10 10 CCCE Nc1cc2c(cc1N1C[C@H](O)C(F)(F)C1)OCCO2 2095739922 FROHOVCAPXAFAU-NSHDSACASA-N 272.251 0.856 10 10 CCCE C[C@H](N[C@@H]1CC(=O)NC1=O)c1ccc(N(C)C)cc1 2096084164 NQQCDSXHCMFSJO-JOYOIKCWSA-N 261.325 0.818 10 10 CCCE CC(C)NCc1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)cc1 2201031593 ANZBJTMKDVPCST-KKUMJFAQSA-N 280.368 0.087 10 10 CCCE Nc1ccc(CS(=O)(=O)NC[C@H]2[C@H]3CNCC[C@H]32)cc1 2203631048 JUQQQWPXGFEKHJ-HZSPNIEDSA-N 295.408 0.544 10 10 CCCE NCCc1nnc(NC(=O)CCc2ccc(N)cc2)o1 2203636275 AKQXBQNNZJKOQB-UHFFFAOYSA-N 275.312 0.724 10 10 CCCE C[C@]1(CCO)CCN1C[C@@H](O)COc1ccc(N)cc1 2205509711 HCWDQJTZXPYZRW-UKRRQHHQSA-N 280.368 0.855 10 10 CCCE [N-]=[N+]=N[C@H]1CCC[C@H]1NS(=O)(=O)c1cccnn1 2218745675 NIPQFOKVYMNIQF-JGVFFNPUSA-N 268.302 0.986 10 10 CCCE [N-]=[N+]=N[C@H]1CCC[C@@H]1NC(=O)C1=NNC(=O)CC1 2218741202 BRVGEEYAOVFHMR-BQBZGAKWSA-N 250.262 0.600 10 10 CCCE Nc1ccc(NC(=O)CN2C[C@H]3COC[C@H]2C3)cc1 2271260131 XSGLVSDFDFKEAZ-GXFFZTMASA-N 261.325 0.928 10 10 CCCE CCNC(=O)CN(C)c1ccc(OC)cc1CO 2220427743 KMTYAGJOXQZPIV-UHFFFAOYSA-N 252.314 0.760 10 10 CCCE [N-]=[N+]=NCCCN1C[C@H]2[C@H](C1)[C@H]1C[C@H]2[C@H](O)[C@H]1O 2221346865 WNTMPLRJJSYNTM-JKCCIXDMSA-N 252.318 0.606 10 10 CCCE CCn1nncc1S(=O)(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-] 2225799570 LEXFCSSLZGFBDD-SFYZADRCSA-N 285.333 0.808 10 10 CCCE CNCc1cc(OC)ccc1N1CC(C(=O)N(C)C)C1 2235961638 ZPDCVOVNOIGOCX-UHFFFAOYSA-N 277.368 0.939 10 10 CCCE Cn1nncc1S(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1 2236166972 CJMGRHLYZCUINP-UHFFFAOYSA-N 299.268 0.230 10 10 CCCE C[C@]1(O)CCN(c2ccc3c(c2)OCCO3)C[C@H]1O 2226781161 QJTXAQIWKAWCJE-KGLIPLIRSA-N 265.309 0.780 10 10 CCCE NCc1ccc(N2C[C@@H](CO)C[C@H](CO)C2)cc1F 2228401540 FTJILIIMCIHIEX-QWRGUYRKSA-N 268.332 0.712 10 10 CCCE Cc1cc([C@@H](C)O)ccc1N1CCN(CCO)C(=O)C1 2240838726 WVKBANAOJPBGFE-GFCCVEGCSA-N 278.352 0.689 10 10 CCCE CSc1ncc(CNC(=O)c2cc[nH]c(=N)n2)s1 2257122581 WNLXCSCRVQBZIW-UHFFFAOYSA-N 281.366 0.998 10 10 CCCE Cc1cc(N2CC[C@@H]2[C@H](O)CO)ccc1[C@H](C)N 2258333103 ZIQHBJNISYMVIT-ZLKJLUDKSA-N 250.342 0.947 10 10 CCCE CSc1ncc(CN=c2[nH]c(C)nc(=N)[nH]2)s1 2248744408 LSQZIAYUEOCCEH-UHFFFAOYSA-N 268.371 0.805 10 10 CCCE CCC1(CS(=O)(=O)N(C)CCN=[N+]=[N-])COC1 2250049924 CMWDBLPGWUESKZ-UHFFFAOYSA-N 262.335 0.985 10 10 CCCE CC[C@@]1(NCc2ccc(O)cc2O)CCNC1=O 2260436264 NJBCLRYSYSMUNP-CYBMUJFWSA-N 250.298 0.856 10 10 CCCE CCN(CCN=[N+]=[N-])[C@@H]1CS(=O)(=O)C[C@H]1OC 2300530235 NMSMJLXVSPDLOQ-RKDXNWHRSA-N 262.335 0.431 10 10 CCCE O=C(c1cccc(O)c1O)N1CC[C@H]2[C@H](CO)[C@H]2C1 2333123370 RHKPUDKXWMQXMV-MIMYLULJSA-N 263.293 0.798 10 10 CCCE CN(C(=O)[C@H]1COC[C@@H]1C(=O)O)c1ccc(N)cc1 2338415668 GIWVDSATIRLKJC-QWRGUYRKSA-N 264.281 0.579 10 10 CCCE NC(=O)C[C@H]1CNCCN1c1ccc2c(c1)CCC2 2343259530 HEMBFUVEERIOOI-AWEZNQCLSA-N 259.353 0.829 10 10 CCCE NCc1c[nH]nc1NC(=O)COc1ccc(N)cc1 2352401114 NGQLGWDNRONPGH-UHFFFAOYSA-N 261.285 0.468 10 10 CCCE O=C(N[C@H](Cc1ccc(O)c(O)c1)C(=O)O)[C@@H]1C[C@H]1F 2355515609 MUROKRUUCTWLOS-IWSPIJDZSA-N 283.255 0.568 10 10 CCCE CN(C)CCN[C@H](C(N)=O)c1ccc2c(c1)CCCN2C 50287593 XXACPZURWYIQEH-HNNXBMFYSA-N 290.411 0.747 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN1C(=O)N[C@H]1CCS(=O)(=O)C1 1893244142 UIOQKTBNVJPYKD-DTWKUNHWSA-N 287.345 0.658 10 10 CCCE Nc1ccc(O)c(CNC(=O)[C@@H]2COCCO2)c1 55297503 DHVLHPMGJLVPBY-NSHDSACASA-N 252.270 0.006 10 10 CCCE CCN(CC)CCCNC(=O)c1cc(O)nc(O)c1 170223328 KUJLIBNSXRQXHM-UHFFFAOYSA-N 267.329 0.955 10 10 CCCE CCNCc1cc(F)c(N2C[C@H](O)[C@@H](CO)C2)c(F)c1 316241207 DSFILRWIDFKBCN-MFKMUULPSA-N 286.322 0.864 10 10 CCCE CC1(C)C(=O)NC(=O)N1CC(=O)Nc1ccc(N)cc1 236648438 GEFKGSDRABMLBO-UHFFFAOYSA-N 276.296 0.538 10 10 CCCE Cc1cc(NS(=O)(=O)CC(=O)O)c(C)cc1O 235788468 YHGDLRUTYFGXMD-UHFFFAOYSA-N 259.283 0.835 10 10 CCCE COc1ccc(N(C)CC(=O)N2CCCNCC2)cc1 49969905 GZOMLWSZVUBJJB-UHFFFAOYSA-N 277.368 0.953 10 10 CCCE CN[C@@H](c1ccc(N(C)C)cc1)[C@@H](O)c1ncnn1C 2163129712 ABNMTPRUPPAZOQ-QWHCGFSZSA-N 275.356 0.875 10 10 CCCE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3C[C@@H]3N)C2)cc1 851639075 AMIRRUADLBDJNJ-GDLCADMTSA-N 275.352 0.737 10 10 CCCE O=C(O)CN1CCNc2cc3c(cc21)OCCO3 76895486 QRAZQUQRQRMVOM-UHFFFAOYSA-N 250.254 0.774 10 10 CCCE O=C(CCN1CCOCC1)NCc1cccc(O)c1O 1123888296 HJIIMPRTONVMEW-UHFFFAOYSA-N 280.324 0.436 10 10 CCCE Cc1ccc(O)c([C@@H](N)C(=O)NC[C@@H]2CCCO2)c1 83478183 HUICAWRJBNDJCD-GXFFZTMASA-N 264.325 0.996 10 10 CCCE CS(=O)(=O)N[C@@H]1CCN(c2ccc(CN)c(F)c2)C1 703002481 JGJPCRYXHARKRB-SNVBAGLBSA-N 287.360 0.412 10 10 CCCE Nc1ccc(CC(=O)N[C@@H]2CCO[C@@H]2C(=O)O)cc1 703168494 ZRRGWROPFKGHMX-PWSUYJOCSA-N 264.281 0.170 10 10 CCCE CCC(CO)(CO)NCc1ccc(F)c(F)c1O 703394291 KEVUMFQBRZOQNH-UHFFFAOYSA-N 261.268 0.893 10 10 CCCE NC(=O)C[C@H]1CCN(S(=O)(=O)Cc2ccc(N)cc2)C1 690763581 SSBCBVMUCZVCEA-LLVKDONJSA-N 297.380 0.296 10 10 CCCE O=C1Nc2cc(N3C[C@H]4COC[C@H]4C3)c(F)cc2[C@H]1O 718270674 LCORPINZGLYLJR-BFHDXFOESA-N 278.283 0.894 10 10 CCCE C[C@@H](c1c(O)cccc1O)N1CCOC[C@]1(CN)CO 693977323 FRVMCNWQYOXJSZ-HZMBPMFUSA-N 282.340 0.181 10 10 CCCE NCc1cc(F)c(N2CCC(CO)(CO)C2)c(F)c1 694681395 LUGSBDXUYGXBOJ-UHFFFAOYSA-N 272.295 0.605 10 10 CCCE C[C@@]1(CO)C[C@@H](O)CN1C(=O)Nc1ccc(N)cc1 698159739 RSSZYTOCJDBEAF-YPMHNXCESA-N 265.313 0.618 10 10 CCCE CCN[C@@H]1COC[C@@H]1C(=O)N(C)Cc1ccccc1O 90490518 DGMNLIHNBGWYDP-QWHCGFSZSA-N 278.352 0.975 10 10 CCCE O=C(/C=C\c1ccc(O)c(O)c1)NCc1cnc(O)[nH]1 1160387550 VYRGKKYEPMYZAN-RQOWECAXSA-N 275.264 0.856 10 10 CCCE CN1[C@@H](COCCc2ccc(N)cc2)CCS1(=O)=O 2119738361 IVGJTKYRUORGDN-CYBMUJFWSA-N 284.381 0.862 10 10 CCCE Nc1ccc(OCCC(=O)N[C@@H]2[C@@H]3CCO[C@@H]32)cc1 2119895198 OHNJTYOBXIEHCA-YUTCNCBUSA-N 262.309 0.941 10 10 CCCE OCC1(CO)CCN(c2ccc3c(c2)CC[C@@H]3O)C1 2128322910 UADGDVLRSRLURC-AWEZNQCLSA-N 263.337 0.847 10 10 CCCE Cc1cc(N2C[C@@H]3C[C@H](C2)[C@@H](O)[C@H]3O)ccc1CN 2126162310 RBYNSBOKAJYADR-CUFDPUGPSA-N 262.353 0.632 10 10 CCCE N[C@@H]1CC[C@@H](C(=O)O)N(Cc2ccc(O)cc2O)C1 2132275617 YRPVYLWDQJQNMK-KOLCDFICSA-N 266.297 0.474 10 10 CCCE CN(C(=O)c1cc(O)c(O)c(O)c1)C1(CO)CCC1 2132348573 OKDUBHKXAWXIBS-UHFFFAOYSA-N 267.281 0.790 10 10 CCCE CSC[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)C(=O)O 2132349123 ZBFUYOBJIQHLRC-ZCFIWIBFSA-N 287.293 0.349 10 10 CCCE O=C(N[C@@H]1[C@@H]2CCCO[C@H]21)c1cc(O)c(O)c(O)c1 2132408453 WXSFNLWHJZBWAZ-HNBZJPLGSA-N 265.265 0.711 10 10 CCCE [N-]=[N+]=NCC1CCN(CC(=O)N2CCOCC2)CC1 1912187177 FVIGBKZPAQHRTL-UHFFFAOYSA-N 267.333 0.868 10 10 CCCE CC1(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)CS(=O)(=O)C1 1912174286 XHMPLWCZNLWTKO-MRVPVSSYSA-N 272.330 0.580 10 10 CCCE CC(C)O[C@@H]1CS(=O)(=O)C[C@@H]1N1CC[C@@H](N=[N+]=[N-])C1 1912187757 JIWMYHHRMONAJW-OUAUKWLOSA-N 288.373 0.962 10 10 CCCE CCCNC(=O)NC(=O)CN1CC[C@@H](N=[N+]=[N-])C1 1912143384 FMVXFSNKTGFGBA-MRVPVSSYSA-N 254.294 0.607 10 10 CCCE Cn1c(CN2CC[C@@H](CN=[N+]=[N-])C2)cc(=O)n(C)c1=O 1912173576 OBNPCDGTYLVBAH-VIFPVBQESA-N 278.316 0.216 10 10 CCCE O=C(C[C@@H]1COC(=O)C1)NCc1cccc(O)c1O 1350300747 XURUSAJKBFFLAW-QMMMGPOBSA-N 265.265 0.667 10 10 CCCE CN(c1ccc2c(c1)NC(=O)[C@H]2N)C(C)(C)C(N)=O 1915543546 WYJIVPWRRGVXHH-JTQLQIEISA-N 262.313 0.339 10 10 CCCE COc1cccc(CNC(=O)CCc2cnn[nH]2)c1O 1294925368 OEUVGUSUGQMOOO-UHFFFAOYSA-N 276.296 0.768 10 10 CCCE C[C@@H](c1c(O)cccc1O)N1C[C@H](O)C[C@H]1C(=O)O 2136107713 FYKGNTADGXDALT-YIZRAAEISA-N 267.281 0.679 10 10 CCCE Nc1ccc(OCCN2CCCN(CCO)CC2)cc1 227231344 PKSFEIIWMRYJKT-UHFFFAOYSA-N 279.384 0.648 10 10 CCCE CCN[C@@H]1COC[C@@H]1C(=O)NCc1ccccc1O 228423381 LMRVDOFXJLKLRC-NWDGAFQWSA-N 264.325 0.633 10 10 CCCE Cc1noc(CN(C)C(=O)Cc2ccc(O)c(O)c2)n1 1640473979 PJUAVROAGDIKAQ-UHFFFAOYSA-N 277.280 0.990 10 10 CCCE C[C@@H](NC(=O)c1cc(=O)n(C)cn1)c1ccccc1O 1648892005 KXHFJKPWBABDGP-SECBINFHSA-N 273.292 0.977 10 10 CCCE COc1cc(N2CC[C@H](C)[C@@H]2C(N)=O)ccc1CO 2139701683 DKYVANNAYFTRAT-TVQRCGJNSA-N 264.325 0.888 10 10 CCCE CN1CCN(c2noc(-c3ccc(O)c(O)c3)n2)CC1 234363250 OISWJYDACBVOIH-UHFFFAOYSA-N 276.296 0.900 10 10 CCCE Cc1ccc(O)c(CNCCC(=O)Nc2nc[nH]n2)c1 1857853757 BZRMVNVTJOWGOG-UHFFFAOYSA-N 275.312 0.937 10 10 CCCE Nc1ccc(NC(=O)N[C@H]2CCNC[C@H]2CO)cc1 1876152493 GWJNNMJYBYKWTM-CABZTGNLSA-N 264.329 0.361 10 10 CCCE NC(=O)c1cccc(N)c1N[C@H]1CCNCC12CC2 1876505196 KCFZQWFKWDNIJF-NSHDSACASA-N 260.341 0.922 10 10 CCCE O=C(O)CN(CCO)Cc1cc(F)cc(F)c1O 1963595032 JZSRTXOFJWPGIK-UHFFFAOYSA-N 261.224 0.549 10 10 CCCE Nc1ccc(CC(=O)N2[C@H]3CC[C@H]2C(=O)NC3)cc1 1970182782 GJEABZSAZDFFOW-RYUDHWBXSA-N 259.309 0.301 10 10 CCCE CCn1ccn(CC(=O)N(C)c2ccc(N)cc2)c1=O 148621703 RHSWDGOTSRZSFI-UHFFFAOYSA-N 274.324 0.915 10 10 CCCE CN(C)c1ccc([C@H](CN)N(C)C2CS(=O)(=O)C2)cc1 2152233398 GWNAWQIJBZZEGZ-AWEZNQCLSA-N 297.424 0.481 10 10 CCCE N[C@H](Cc1ccc(O)c(O)c1)C(=O)OC[C@H]1CCOC1 49688313 RRUXIJONJWKDAD-WDEREUQCSA-N 281.308 0.547 10 10 CCCE Nc1ccc(O)c(CN2C[C@@H](CO)C[C@@H]2CO)c1 2029367994 FNHXBNTUHXWYMQ-JOYOIKCWSA-N 252.314 0.150 10 10 CCCE CCNCCN(CC)C(=O)c1cc(O)nc(O)c1 2032964039 WLQQVLSLVSELOT-UHFFFAOYSA-N 253.302 0.564 10 10 CCCE O=C(CN1CC(CCO)C1)c1ccc(O)c(O)c1 2034857058 OEIHJBAZBHBIIR-UHFFFAOYSA-N 251.282 0.595 10 10 CCCE Nc1ccc(OCCNC(=O)CCn2cncn2)cc1 63130338 FUENPVXZOQZSJS-UHFFFAOYSA-N 275.312 0.446 10 10 CCCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)c2cnc(O)nc2O)C1 403815080 JEAGUTKYSKAYNG-ZCFIWIBFSA-N 264.245 0.803 10 10 CCCE NC1CCN(CCNC(=O)c2cccc(O)c2O)CC1 321209133 QEWCVEYCBNFLNH-UHFFFAOYSA-N 279.340 0.251 10 10 CCCE Nc1ccc(O)c(CNC(=O)[C@@]23COC[C@H]2C3(F)F)c1 2161771578 ZUHNIANMAOLLML-ZYHUDNBSSA-N 284.262 0.872 10 10 CCCE COc1ccc(N2CCCN(S(C)(=O)=O)CC2)c(N)c1 703151357 NMWPYKJNPQOABV-UHFFFAOYSA-N 299.396 0.749 10 10 CCCE CO[C@](C)(CO)CNC(=O)Cc1ccc(N)cc1 702532087 PCJPPKFYLXZOQT-ZDUSSCGKSA-N 252.314 0.325 10 10 CCCE O=C(NC1(C2(C(=O)O)CC2)CC1)c1cc(O)nc(O)c1 2172512869 YTEZALVEQUALCY-UHFFFAOYSA-N 278.264 0.620 10 10 CCCE CC[C@H](NC(=O)COc1ccc(N)cc1)C(N)=O 379298071 NVXOIHOJXSISMU-JTQLQIEISA-N 251.286 0.028 10 10 CCCE CN(CCCCO)C[C@H](O)COc1ccc(N)cc1 385205043 CFLVFXLNFNXDPR-ZDUSSCGKSA-N 268.357 0.713 10 10 CCCE CCNCc1ccc(N2C[C@H](O)C[C@@H]2CO)cc1 698173369 DWSZYMXRZWLMDQ-ZIAGYGMSSA-N 250.342 0.728 10 10 CCCE Nc1ccc(OCC(=O)NCCN2CC=CC2)cc1 392239195 YRPARRJSKHUUMV-UHFFFAOYSA-N 261.325 0.636 10 10 CCCE C[C@@H](NCc1nc(O)n[nH]1)c1c(O)cccc1O 392404644 SPWAEAPMVUPUAK-ZCFIWIBFSA-N 250.258 0.772 10 10 CCCE CON(C)C(=O)CN[C@H](C)c1cc(O)ccc1O 397550339 WNPYSPIADRSVQZ-MRVPVSSYSA-N 254.286 0.768 10 10 CCCE COc1cccc(CNC[C@H]2CNC(=O)C2)c1O 398391098 YQMJULSIPMTANN-VIFPVBQESA-N 250.298 0.627 10 10 CCCE Cc1cc(O)n2ncc(C(=O)N3CN(C)C(=O)[C@@H]3C)c2n1 2064268967 JEVQIDRIKGEVKV-QMMMGPOBSA-N 289.295 0.004 10 10 CCCE Nc1cc2c(cc1N1CCCC[C@H](O)C1)NC(=O)CO2 2169200263 BISJBYIZEXVECV-VIFPVBQESA-N 277.324 0.951 10 10 CCCE Oc1ccc(CN[C@H]2CCN(C3COC3)C2)c(O)c1O 2169578304 LOTQVMZYZYMFKV-JTQLQIEISA-N 280.324 0.366 10 10 CCCE CN(C)C[C@H]1COCCN1C(=O)Cc1ccc(N)cc1 1160838425 ISLSXWKJFJKPTP-AWEZNQCLSA-N 277.368 0.600 10 10 CCCE CC1(C[S@@](C)(=O)=NC(=O)c2ccc(O)c(O)c2)CNC1 2192771294 GUZSEKRYBXGRQA-HXUWFJFHSA-N 298.364 0.945 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CC[C@H]2CCN[C@H]2C1 2188922846 ILDJKCWPTLGKIP-SCZZXKLOSA-N 278.308 0.627 10 10 CCCE O=C1CC[C@@H](CNC(=O)c2cc(O)c(O)c(O)c2)CN1 2188918227 CHGOSDNVVOXNIG-SSDOTTSWSA-N 280.280 0.059 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CCC[C@H]2NCC[C@H]21 2188920988 AEBTWTMGPOOHPX-NXEZZACHSA-N 278.308 0.770 10 10 CCCE NC[C@@H]1[C@@H]2CCN(C(=O)c3cc(O)c(O)c(O)c3)C[C@H]21 2188927031 CAKZOBKPWTZYMI-IVZWLZJFSA-N 278.308 0.470 10 10 CCCE CC[C@@]1(NCc2cccc(O)c2O)CCC(=O)NC1=O 2182517437 HJYIBLUZQMEKLA-CQSZACIVSA-N 278.308 0.773 10 10 CCCE COc1ccc(N2CCNC[C@]2(C)CO)c(F)c1 2044511993 PLVRKVXIAQLMMV-CYBMUJFWSA-N 254.305 0.995 10 10 CCCE C[C@@H](N)c1ccc(N2CC(NC(N)=O)C2)cc1O 2044811686 BYERERYEMGQAQL-SSDOTTSWSA-N 250.302 0.269 10 10 CCCE CN[C@@H](c1ccccc1O)[C@@](C)(O)CS(C)(=O)=O 2050965870 TYUMTDKZYNPPHX-RYUDHWBXSA-N 273.354 0.448 10 10 CCCE CN(c1ccc(CN)cc1F)[C@H]1CC(=O)NC1=O 2051507918 CLZCRIBKCYKQNN-JTQLQIEISA-N 251.261 0.136 10 10 CCCE CO[C@]1(CN(C)C(=O)c2ccc(O)c(O)c2)CCOC1 2186195012 LZXCYNFMAKIUSK-AWEZNQCLSA-N 281.308 0.975 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@]1(O)CCNC1 2063367697 MVWGAOKNPAIIIS-ZDUSSCGKSA-N 250.298 0.075 10 10 CCCE CN1CCO[C@H](C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)C1 2067584757 YIFYEMZEPHMJAW-UWVGGRQHSA-N 253.306 0.476 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1C[C@@H]1F 2068083852 PPAGDTMPNKAVMR-XHNCKOQMSA-N 254.261 0.194 10 10 CCCE CN(C)CC1(NCc2cc(O)c(O)c(O)c2)CC1 2068611172 ZNXKLAKSAUGJQG-UHFFFAOYSA-N 252.314 0.987 10 10 CCCE Cc1ncn(C)c1[C@H](NCCCN=[N+]=[N-])C(N)=O 2068655889 QMBZUPXYGPYLPA-QMMMGPOBSA-N 251.294 0.545 10 10 CCCE Nc1ccc(NC(=O)N2CC[C@@H](OCCO)C2)cc1 2109118212 FUKMNCNSRJKEIT-GFCCVEGCSA-N 265.313 0.884 10 10 CCCE COc1cc(N)c(N2CCNNCC2)cc1OC 2071594561 FWROGEXLIPVRKI-UHFFFAOYSA-N 252.318 0.200 10 10 CCCE C[C@H](NS(=O)(=O)C1CC(O)C1)c1ccccc1O 2072486423 MKNJFMARCQZOSV-IDKOKCKLSA-N 271.338 0.896 10 10 CCCE COC(=O)[C@H](O)CN1CCc2cc(OC)c(OC)cc21 2195427525 GCIRCVGMNYTXMP-LLVKDONJSA-N 281.308 0.600 10 10 CCCE Cc1cccc(O)c1CNCCN1C(=O)CCC1=O 2104512394 JIBGNLVYGAUZTK-UHFFFAOYSA-N 262.309 0.939 10 10 CCCE CN(C)c1ccc([C@H](O)[C@@H](N)CCS(C)(=O)=O)cc1 2106795711 JUIMEOWPUAWMRX-STQMWFEESA-N 286.397 0.548 10 10 CCCE C[C@@H]1OCCO[C@@H]1CNCc1ccc(O)c(O)c1O 2087424095 LEINERVUVKILPX-GZMMTYOYSA-N 269.297 0.697 10 10 CCCE O=S1(=O)CCC[C@H](NCCc2ccc(O)c(O)c2)C1 2091756363 RMYRDEPSGAGKCL-NSHDSACASA-N 285.365 0.807 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H](F)C1CNC1 2112907709 OGANYIJOTMRQFC-SNVBAGLBSA-N 268.288 0.314 10 10 CCCE COC(=O)CCS(=O)(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-] 2218740196 IIOTWZFAXHAGAZ-JGVFFNPUSA-N 276.318 0.700 10 10 CCCE N[C@H]1C[C@@H](F)CN(C(=O)c2cccc(O)c2O)C1 2219146689 VTCQWNBIGNTJEP-SFYZADRCSA-N 254.261 0.609 10 10 CCCE Cc1cc([C@@H](C)N)ccc1N1CC[C@](O)(CO)C1 2223984528 OAXXRMNNFLNMJD-BXUZGUMPSA-N 250.342 0.948 10 10 CCCE CN1CCc2cc(N3C[C@]4(CO)C[C@@]4(CO)C3)ccc21 2235129167 KZWFKLXEMLXDIP-HOTGVXAUSA-N 274.364 0.860 10 10 CCCE O=C(Nc1nnc(Cl)nn1)c1cc(O)c(O)c(O)c1 2226137920 VBLMDVKRTZZZFR-UHFFFAOYSA-N 283.631 0.289 10 10 CCCE NCc1ccc(N2C[C@H]3COC[C@]3(CO)C2)c(F)c1 2226165102 YFXSEIORJBKRCP-SMDDNHRTSA-N 266.316 0.730 10 10 CCCE O=[N+]([O-])c1ccc(N2C[C@H](O)C[C@@H](F)C2)cc1CO 2226307904 WSTJWWHSBGYPRB-MWLCHTKSSA-N 270.260 0.996 10 10 CCCE COc1ccc(N2CCOC[C@H](CO)C2)c(C=O)c1 2227704702 CTXDFOSGLTYDNO-NSHDSACASA-N 265.309 0.953 10 10 CCCE CN(C)C[C@@H]1C=CCN1c1ccc2c(c1)NC(=O)[C@H]2N 2239045276 YWZGGJMLXXURIF-FZMZJTMJSA-N 272.352 0.945 10 10 CCCE CSc1ncc(CNC(=O)[C@@]2(C)COC[C@H]2N)s1 2256942914 NVHNSFBXMABTRK-KCJUWKMLSA-N 287.410 0.845 10 10 CCCE O=C(N[C@H]1COC2(COC2)C1)c1cc(O)c(O)c(O)c1 2286269447 MNEXKPIWDGAMLV-MRVPVSSYSA-N 281.264 0.091 10 10 CCCE Cc1cc([C@H](C)O)ccc1N1CC[C@@H]1[C@H](O)CO 2258309881 ZAKIPWDJMJOHQE-ZLKJLUDKSA-N 251.326 0.980 10 10 CCCE COC[C@@H]1C[C@@H](CN)N(Cc2ccc(O)c(O)c2)C1 2273885755 QENTVUVJDAWGGL-NEPJUHHUSA-N 266.341 0.893 10 10 CCCE O=C(c1cccc(O)c1O)N1CC[C@@](CF)(C(=O)O)C1 2281247860 JVWWOJWOYVMCFY-ZDUSSCGKSA-N 283.255 0.984 10 10 CCCE N[C@@H]1C[C@@H]2CN(c3ccc(OCF)cc3)CCN2C1=O 2295933824 WOIWBQZZFFLWLR-DGCLKSJQSA-N 279.315 0.741 10 10 CCCE Cc1cccc(CNS(=O)(=O)CC2(C(=O)O)CC2)c1O 2290095722 VFTYJZHESHIAIC-UHFFFAOYSA-N 299.348 0.985 10 10 CCCE Nc1ccc(O)c(CN2C[C@H]3CS(=O)(=O)[C@H]3C2)c1 2314955725 KCCTYHPFWRANKD-CABZTGNLSA-N 268.338 0.203 10 10 CCCE [N-]=[N+]=NCCCN[C@]1(C(N)=O)C[C@H]2[C@H]3CC[C@H](O3)[C@H]21 2331794152 WHGIZCCXIKLRNP-YXZBHFDYSA-N 265.317 0.698 10 10 CCCE CN(CC(=O)NCc1ccc2c(c1)CCCN2C)C(N)=O 124322456 QONWPTUBRXAELH-UHFFFAOYSA-N 290.367 0.696 10 10 CCCE CCOC(=O)[C@H](N)C1(c2ccc(O)c(O)c2O)CC1 1952600451 FWBQOXBWXVMDIZ-NSHDSACASA-N 267.281 0.725 10 10 CCCE Nc1ccc(O)c(CNS(=O)(=O)c2ccn[nH]2)c1 223189837 FFHJTMGDBXOODQ-UHFFFAOYSA-N 268.298 0.176 10 10 CCCE CC[C@@H]1C(=O)NCCN1c1ccc2c(c1)N(C)C(=O)[C@@H]2N 131391322 HLUIODPXIYLJGP-DGCLKSJQSA-N 288.351 0.378 10 10 CCCE C[C@@H](CC[S@@](C)=O)NC(=O)c1ccc(O)c(O)c1 235088101 AMJALHQDOBLDJA-DCXZOGHSSA-N 271.338 0.985 10 10 CCCE COc1ccc(CN2CCN(C(=O)[C@@H](C)O)CC2)c(O)c1 93707030 CYJYUJDXKYOBQE-LLVKDONJSA-N 294.351 0.426 10 10 CCCE CC(C)n1cncc1[C@@H](NCCN=[N+]=[N-])C(N)=O 90258001 LYXYYWXHYRQFRT-SECBINFHSA-N 251.294 0.890 10 10 CCCE C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)Cc2ccc(N)cc2)CC1=O 370781605 PLVQYKNLTHADDW-SWHYSGLUSA-N 287.363 0.937 10 10 CCCE COC(=O)c1coc(C(=O)OCC(=O)C(C)=O)c1 808536460 KJYNSJVCORHHSH-UHFFFAOYSA-N 254.194 0.381 10 10 CCCE N[C@H](c1cccc(Br)c1O)[C@H](O)C(=O)O 713745710 WEYANSKKLGSIPG-SVRRBLITSA-N 276.086 0.600 10 10 CCCE N[C@H]1CC(C(=O)N2CCCc3cnccc32)=C[C@@H]1O 2131474255 LODFUDLOWPHFJT-AAEUAGOBSA-N 259.309 0.379 10 10 CCCE CC(=O)OCCOc1ccc(N(CCO)CCO)cc1 585666392 WZTMFVLPJAOUDW-UHFFFAOYSA-N 283.324 0.420 10 10 CCCE O=C(NC[C@H]1C[C@@H]2COC[C@@H]2O1)c1c(F)ccc(O)c1O 900691400 RAYMMYMJCZGCBV-XLDPMVHQSA-N 297.282 0.771 10 10 CCCE C[C@H](O)[C@@H]1CN(Cc2cc3c(cc2O)OCO3)CCO1 840978569 SSWGRUBVCJSOCH-XPTSAGLGSA-N 281.308 0.703 10 10 CCCE [N-]=[N+]=N[C@H]1CO[C@H](OCc2ccccc2)[C@@H](N)[C@@H]1O 687770677 IHPXTIKWQXMPPH-YFKTTZPYSA-N 264.285 0.927 10 10 CCCE CN1CCN(c2ccc(CN)cc2Cl)[C@H](CO)C1 699476854 GCXFPTCJMJLASZ-NSHDSACASA-N 269.776 0.911 10 10 CCCE O=C(NCc1ccc(O)c(O)c1)[C@H](O)C1CCOCC1 778919025 YYNOXJZOHUTIRL-CYBMUJFWSA-N 281.308 0.502 10 10 CCCE NCCCN1CCN(c2ccc3c(c2)OCO3)CC1 74415222 UPQJVBONMSFROT-UHFFFAOYSA-N 263.341 0.886 10 10 CCCE CCOc1cccc([C@H](N)C(=O)NCCCO)c1O 83497388 DSMDGLGLPXXLOM-NSHDSACASA-N 268.313 0.289 10 10 CCCE Cc1ccc([C@H](N)c2nnc([C@@H](O)C(=O)O)o2)c(O)c1 83588022 VXFUBAHGDPIRRL-DTWKUNHWSA-N 279.252 0.250 10 10 CCCE COC(=O)[C@@]1(O)CCN(Cc2ccc(F)c(F)c2O)C1 895701693 CCIUPEHHNCFMKP-CYBMUJFWSA-N 287.262 0.780 10 10 CCCE C[C@@H](C(=O)Nc1ccc(N)cc1)N1CC([S@](C)=O)C1 2115305414 HPLCQPZSBHJXQL-UGZDLDLSSA-N 281.381 0.659 10 10 CCCE O=C(N[C@@H]1CCNCC12CC2)c1ccc(O)c(O)c1 2129382853 CZCMECGWICEOSV-GFCCVEGCSA-N 262.309 0.970 10 10 CCCE COc1cccc(O)c1CN1CCO[C@H](CCN)C1 2119435278 JXIKKFBSTFGTFG-LLVKDONJSA-N 266.341 0.950 10 10 CCCE O=C(NC[C@@H](O)C(F)(F)F)c1cc(O)c(O)c(O)c1 2132348248 HHXFMOKCSRDKEM-SSDOTTSWSA-N 281.186 0.456 10 10 CCCE CC[C@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)C[C@H]1N 2132413791 QDYZURYWRFNMOO-IONNQARKSA-N 266.297 0.613 10 10 CCCE c1cc2c(cc1N1CCN[C@@H]3COC[C@H]31)OCCO2 2132574671 UXIKHOQBSMAVQY-VXGBXAGGSA-N 262.309 0.635 10 10 CCCE CCCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H](N=[N+]=[N-])C1 1912207996 OKSMTQQYXLIBJI-IUCAKERBSA-N 289.361 0.616 10 10 CCCE C[C@H](c1ccccc1O)N1CC(=O)NC[C@H]1C(=O)O 2136361169 DHNXNRLYFURIRW-SCZZXKLOSA-N 264.281 0.338 10 10 CCCE C[C@@H]1CN(C)[C@H](CO)CN1c1ccc2c(c1)OCO2 217089729 QBGNNUKJJNDXBI-PWSUYJOCSA-N 264.325 0.917 10 10 CCCE COCCNC(=O)[C@H](C)NCc1cc(C)ccc1O 228985006 UAANIZFMTKBOSH-NSHDSACASA-N 266.341 0.941 10 10 CCCE NC(=O)N=Nc1ccc(C(=O)N[C@@H]2C[C@H](O)[C@H](O)C2)cc1 1638745719 FUKXDYVMAUCYEH-JGPRNRPPSA-N 292.295 0.463 10 10 CCCE CN1CC[C@@H](C(=O)NCc2cc(O)ccc2O)CC1=O 1643879345 LYGRFIVIIZHUAE-SECBINFHSA-N 278.308 0.582 10 10 CCCE CCC(=O)NC[C@H](C)NC(=O)c1cc(OC)nc(OC)c1 1737546628 PYQDJXZDJYXRTR-VIFPVBQESA-N 295.339 0.743 10 10 CCCE CCC(=O)NC[C@@H](C)NC(=O)c1cc(OC)nc(OC)c1 1737546627 PYQDJXZDJYXRTR-SECBINFHSA-N 295.339 0.743 10 10 CCCE COc1cc(N(C)Cc2cn(C)nn2)ccc1CO 2139699935 CHDPRUUKBDJVDY-UHFFFAOYSA-N 262.313 0.952 10 10 CCCE COc1cc(N2CC[C@](C)(C(N)=O)C2)ccc1CO 2139704510 MMHPBEYZDPTQLO-AWEZNQCLSA-N 264.325 0.889 10 10 CCCE CO[C@@]1(CNCc2cccc(O)c2O)CCOC1 160131088 LEDSPWAERNIRKZ-CYBMUJFWSA-N 253.298 0.993 10 10 CCCE Cc1ccc(O)c(CN[C@@H]2COC[C@H]2S(C)(=O)=O)c1 2142489852 HAHOIDOWCUJMGE-DGCLKSJQSA-N 285.365 0.602 10 10 CCCE O=C1C[C@H](NCc2ccc(Cl)cc2O)C(=O)N1 1947021591 RSLLMYVKULFNTD-QMMMGPOBSA-N 254.673 0.550 10 10 CCCE NC(=O)c1cccc(N)c1N[C@@H]1CCN[C@H]2CC[C@H]21 1876498206 FDMHCQGPCQBZEG-JFUSQASVSA-N 260.341 0.920 10 10 CCCE C[C@@H]1[C@@H](N)CCCN1C(=O)COc1ccc(N)cc1 1876492201 WBGPPENIUWOMGH-MFKMUULPSA-N 263.341 0.986 10 10 CCCE CCN[C@@H]1CCN(S(=O)(=O)Cc2ccc(N)cc2)C1 1876529377 NTUIGNUBHGSQGA-CYBMUJFWSA-N 283.397 0.782 10 10 CCCE O=C(c1ccc(O)c(O)c1)N(C1CNC1)[C@H]1CCOC1 2143786781 RZXKVBDVKJWKHX-JTQLQIEISA-N 278.308 0.301 10 10 CCCE CN=c1[nH]nc(C(=O)NCCc2ccc(O)c(O)c2)s1 2148004420 OJJYLSWEWLMKSM-UHFFFAOYSA-N 294.336 0.385 10 10 CCCE 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CON1CCC(NC(=O)c2ccc(O)c(O)c2)CC1 2118155459 YIVIJHUIPZAZMQ-UHFFFAOYSA-N 266.297 0.853 10 10 CCCE N[C@@H]1CCCc2cc(N3C[C@@H](O)[C@@H](CO)C3)ccc21 2128280033 WSEBHHFBICQWGU-KCPJHIHWSA-N 262.353 0.812 10 10 CCCE N[C@H]1CCCc2cc(N3CC[C@@](O)(CO)C3)ccc21 2128271689 PCSRISANRMGTFT-GJZGRUSLSA-N 262.353 0.956 10 10 CCCE CC1(C)[C@H](O)[C@@H](O)CN1c1ccc2c(c1)CC[C@@H]2O 2128316569 HHNTYAPYNLYSPV-MELADBBJSA-N 263.337 0.987 10 10 CCCE COCCNC(=O)CNCc1cccc(OC)c1O 134490971 VLWLGGHLSDKMFA-UHFFFAOYSA-N 268.313 0.253 10 10 CCCE [N-]=[N+]=NCCCN[C@@]1(C(N)=O)CO[C@@]2(CCOC2)C1 2122406798 UJCIHZQKTVPGBA-WDEREUQCSA-N 269.305 0.080 10 10 CCCE NC[C@@H]1CCCN(C(=O)c2cc(O)c(O)c(O)c2)C1 2132403136 HVZMWYKCQDLRAR-QMMMGPOBSA-N 266.297 0.614 10 10 CCCE [N-]=[N+]=NC[C@H]1CCN(C(=O)[C@@H]2CCCS2(=O)=O)C1 1912188473 OMRWFRTXPOPKOI-BDAKNGLRSA-N 272.330 0.722 10 10 CCCE COC(=O)[C@H](C)S(=O)(=O)N1CC[C@@H](N=[N+]=[N-])C1 1912180641 DJXGAMGFOSPDCL-NKWVEPMBSA-N 262.291 0.262 10 10 CCCE Cn1ccc([C@@](C)(NCCCN=[N+]=[N-])C(N)=O)n1 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10 10 CCCE COc1ccc(N2CCNC[C@@H](O)C2)cc1OC 214896398 PEPOMLOWPOXCIT-LLVKDONJSA-N 252.314 0.474 10 10 CCCE NC[C@@H](C[C@H]1CCCO1)NC(=O)c1ccc(O)c(O)c1 1926710594 LGZBWGZYZXHMND-GHMZBOCLSA-N 280.324 0.724 10 10 CCCE CNC(=O)CCCNC(=O)Cc1ccc(O)c(O)c1 1628256472 AISPBLVNGCTWLI-UHFFFAOYSA-N 266.297 0.283 10 10 CCCE COc1cc(N(C)C[C@H](N)CN)cc(OC)c1OC 258842895 DVHABMFEQNZIHH-SECBINFHSA-N 269.345 0.435 10 10 CCCE O=C1N[C@@H]2CN(C(=O)c3cccc(O)c3O)CC[C@H]2CO1 1644472484 KXWMWQXFEQNWIX-WCBMZHEXSA-N 292.291 0.668 10 10 CCCE Cc1cccc(CNC(=O)[C@H]2COCCN2C)c1O 2139758857 UOWORTUAYLMHMV-GFCCVEGCSA-N 264.325 0.647 10 10 CCCE C[C@H](NC(=O)[C@H](N)CCC(N)=O)c1ccccc1O 2141239317 WDUYHXSGSLAVHC-WCBMZHEXSA-N 265.313 0.162 10 10 CCCE CNC(=O)[C@@H](C)CN(C)c1cc2c(cc1N)OCCO2 234387606 OCYRVWVRGCPXCD-VIFPVBQESA-N 279.340 0.858 10 10 CCCE C[C@@H]1CN(c2ccc([N+](=O)[O-])c(CO)c2)C[C@@H](CO)O1 235361859 KTPHBKYLPNWHFK-SKDRFNHKSA-N 282.296 0.673 10 10 CCCE Nc1ccc(OCCC(=O)NC[C@@H](O)C(F)F)cc1 236334284 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CCOC(=O)C[C@H](N)c1c(O)cccc1S(C)(=O)=O 260613760 IAKDZDXUZHOEKO-QMMMGPOBSA-N 287.337 0.749 10 10 CCCE CCC1(F)CN(C(=O)[C@@H](N)Cc2ccc(O)c(O)c2)C1 2149823876 GXIXURAXRIMMTB-JTQLQIEISA-N 282.315 0.928 10 10 CCCE CC[C@](N)(COC)C(=O)NCCc1ccc(O)c(O)c1 2148002450 BFYIPYDYZCOHSH-AWEZNQCLSA-N 282.340 0.510 10 10 CCCE OCc1ccc(N2C[C@@H](O)C[C@@H](O)C2)cc1Cl 1998375170 KETZSXOFWWYDEX-PHIMTYICSA-N 257.717 0.764 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CCCNCC(F)(F)C1 2152791027 RGAZUUDKJZWVAC-UHFFFAOYSA-N 287.266 0.564 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC[C@@H](O)[C@@H](F)C1 2027982328 SBPVMOUMCSLJJR-JGVFFNPUSA-N 256.233 0.038 10 10 CCCE O=C(N[C@H](CCO)C1CC1)c1ccc(O)c(O)c1 2029976338 BMQKXPLJASVGLH-SNVBAGLBSA-N 251.282 0.989 10 10 CCCE C[C@H](O)[C@@H](C)N(CC(N)=O)Cc1ccc(N)cc1 2038073303 AJXWCZGMPPCZMU-ZJUUUORDSA-N 251.330 0.325 10 10 CCCE C[S@@](N)(=O)=N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 404519946 MFRXRYGQBAXOJE-MDTSDYNXSA-N 274.298 0.065 10 10 CCCE Nc1ccc(CCC(=O)N[C@@H]2CO[C@H]3COC[C@H]23)cc1 2158071050 KWQHJRJOYOWGFO-MCIONIFRSA-N 276.336 0.731 10 10 CCCE CN[C@H](C)c1ccc(N2CC[C@](O)(C(N)=O)C2)cc1 312032186 ZKGWLKLNJORRMN-QMTHXVAHSA-N 263.341 0.394 10 10 CCCE CNC(=O)C[C@@H](C)NC(=O)Nc1ccc(N)cc1 323048311 FHBGVCJQAZLPOQ-MRVPVSSYSA-N 250.302 0.915 10 10 CCCE CNC(=O)CN1CCN(Cc2cccc(Cl)c2O)CC1 700802275 RLKBWYMKMUATSY-UHFFFAOYSA-N 297.786 0.909 10 10 CCCE O=C(N[C@H]1C[C@H]2CC[C@H]1NC2)c1ccc(O)c(O)c1 701086428 ILYZTABXBMCQIQ-IEBDPFPHSA-N 262.309 0.968 10 10 CCCE NC[C@H]1CN(Cc2cc(F)cc(F)c2O)CCO1 708486405 RFTSAKSALCDKMM-JTQLQIEISA-N 258.268 0.830 10 10 CCCE Nc1ccc(OCCN2CCCOCC2=O)cc1 688061410 USYISXPVVMOFTR-UHFFFAOYSA-N 250.298 0.897 10 10 CCCE C[C@@H]1NCCN(C(=O)c2cccc(O)c2O)[C@@H]1C 379431279 IQGZLFGGNMMPOL-DTWKUNHWSA-N 250.298 0.920 10 10 CCCE CCCNCc1ccc(N2CC[C@](O)(C(N)=O)C2)cc1 383544843 FORYGNOSBYQJPO-OAHLLOKOSA-N 277.368 0.613 10 10 CCCE CC1(C)CNC[C@H]1NC(=O)c1cccc(O)c1O 720770382 YKIJHFLAOMOYMZ-SNVBAGLBSA-N 250.298 0.826 10 10 CCCE Cc1cc(O)n2ncc(C(=O)N3CCC[C@@H](O)[C@H]3C)c2n1 2062610451 DEZGHNVUEODBEC-MWLCHTKSSA-N 290.323 0.729 10 10 CCCE CO[C@@H](CCO)CNC(=O)CCOc1ccc(N)cc1 2168514586 RVGQVAODMKJLLL-ZDUSSCGKSA-N 282.340 0.551 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1CCC[C@H]1F 2175566725 QEQZVOPFRNOILP-OUAUKWLOSA-N 282.315 0.974 10 10 CCCE CN[C@@H](C)c1ccc(N(C)[C@H]2CC(=O)NC2=O)cc1O 2171199266 CBDXRUHYUBMHMN-KWQFWETISA-N 277.324 0.524 10 10 CCCE COc1cc(N2CCNC[C@@H]2CO)cc(OC)c1OC 2181942653 KHDXOHFROKRYHM-LLVKDONJSA-N 282.340 0.483 10 10 CCCE C[C@H]1OCC[C@@]1(O)CNC(=O)c1cc(O)c(O)c(O)c1 2188868122 MHOFQYFZDRPZMX-FUXBKTLASA-N 283.280 0.073 10 10 CCCE C[C@]1(CNC(=O)c2cc(O)c(O)c(O)c2)COCCO1 2188918790 HSHKMLBRNMVBRA-ZDUSSCGKSA-N 283.280 0.339 10 10 CCCE C[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)c1cn(C)nn1 2188908162 AFJDRZJTSKFZCS-ZCFIWIBFSA-N 278.268 0.423 10 10 CCCE NCCOc1cccc(C(=O)C(=O)C[C@H]2C[C@H](N)C2)c1 2183485208 QGLZZILYQAZMOK-UMSPYCQHSA-N 276.336 0.903 10 10 CCCE COC(=O)[C@@H](CN)NCc1ccc(N(C)C)cc1 2042331919 WDTKISDNKRAQPH-GFCCVEGCSA-N 251.330 0.343 10 10 CCCE COc1cccc(O)c1CN[C@H]1COCC[C@@H]1O 2042571980 ULCKYRVCCDYQNV-JQWIXIFHSA-N 253.298 0.640 10 10 CCCE COc1cccc(O)c1CN[C@@H](C)C(=O)N(C)C 2042583135 IMQNVQHFBAZYNZ-VIFPVBQESA-N 252.314 0.967 10 10 CCCE Nc1ccc(OCCN2CCO[C@@H]3C[C@@H](O)C[C@@H]32)cc1 2185316213 WYLDPHCZVCKDIT-AEGPPILISA-N 278.352 0.872 10 10 CCCE Nc1cc2c(cc1N1[C@H]3CC[C@@H]1CNC3)NC(=O)CO2 2191583068 KPCWDTDAZZJGIO-DTORHVGOSA-N 274.324 0.540 10 10 CCCE Nc1ccc(CCC(=O)N2CCOCC23CNC3)cc1 2191662384 VJORFYDULPBWEG-UHFFFAOYSA-N 275.352 0.402 10 10 CCCE COc1ccc([C@H](C)NCC[C@@H](O)CO)c(O)c1 2061854188 FNDXMPSCEOHZKV-VHSXEESVSA-N 255.314 0.795 10 10 CCCE CC(C)C(=O)CNC(=O)c1cc(O)c(O)c(O)c1 2068621129 MIHMVHDRSSJYBW-UHFFFAOYSA-N 253.254 0.758 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@H]2CCC[C@H]2N)cc1 2071667224 HXDXSKXRHIWQIU-VXGBXAGGSA-N 269.370 0.568 10 10 CCCE COC(=O)[C@H](C)NC(=O)NCCc1ccc(N)cc1 2100784311 LZTHHKIZXMNXNN-VIFPVBQESA-N 265.313 0.672 10 10 CCCE COc1ccc(O)c(CN2CCC[C@](O)(CN)C2)c1 2101322720 VFDQSWSODJFVPY-AWEZNQCLSA-N 266.341 0.686 10 10 CCCE COc1cccc(CN[C@@H]2CO[C@H]3COC[C@H]23)c1O 2101880834 REOAZNHUDSIXDX-WZRBSPASSA-N 265.309 0.904 10 10 CCCE COc1ccc(O)c(CN[C@@H]2CO[C@@H]3COC[C@@H]23)c1 2101875301 DMSBBFOJGLKRQJ-OUCADQQQSA-N 265.309 0.904 10 10 CCCE CN(C(=O)Cc1ccc(N)cc1)[C@H]1CN2CC[C@H]1C2 2102509877 ODGAGEUPJAWRNZ-JSGCOSHPSA-N 259.353 0.974 10 10 CCCE COC(=O)c1cccc(N)c1N[C@@H]1C[C@@H](O)C[C@@H]1O 2108837163 IRYBSVIJPKDEDU-ONOSFVFSSA-N 266.297 0.352 10 10 CCCE C[C@H](N)c1ccc(N2CCOC[C@H]2[C@@H](O)CO)cc1 2090135796 KEEGIWNSTWELNY-BPNCWPANSA-N 266.341 0.265 10 10 CCCE COC(=O)[C@H](C1CC1)S(=O)(=O)NCCCCN=[N+]=[N-] 2110770735 WTGCJGOIWVBPNF-VIFPVBQESA-N 290.345 0.948 10 10 CCCE CN1CCO[C@H]2CN(Cc3cc(N)ccc3O)C[C@@H]21 2097697368 UDDSZPOIWYHUPG-JSGCOSHPSA-N 263.341 0.489 10 10 CCCE [N-]=[N+]=N[C@H]1CCN(C[C@H](O)CN2CCCCC2=O)C1 2113451897 HDNYSAXJRVMAGB-QWRGUYRKSA-N 267.333 0.744 10 10 CCCE CCn1cc(S(=O)(=O)NCc2cccc(C)c2O)nn1 2204610341 OFULQYPSQMVTLU-UHFFFAOYSA-N 296.352 0.791 10 10 CCCE CN1[C@H](C(=O)O)CC[C@H]1C(=O)N1CCC[C@H]1CN=[N+]=[N-] 2234170505 DQZPQILIKDBIMN-GUBZILKMSA-N 281.316 0.835 10 10 CCCE COc1ccc(N2CCN(C(C)=O)CC2)c(CO)c1 2227709886 ZDOXYUMZJQHSAQ-UHFFFAOYSA-N 264.325 0.856 10 10 CCCE COc1ccc(N(C)CC2(O)CNC2)c(OC)c1C 2278032065 OOOHRDHTYGRZEF-UHFFFAOYSA-N 266.341 0.783 10 10 CCCE C[C@@H](N)c1ccc(N2CC3(CCC(=O)N3)C2)cc1O 2229699596 OJDVHZPARXBZOD-SECBINFHSA-N 261.325 0.881 10 10 CCCE Cc1cc([C@H](C)N)ccc1N1CC2(C1)OC[C@@H](O)[C@H]2O 2240833305 MJIKWCYGUFGBFZ-ZLKJLUDKSA-N 278.352 0.326 10 10 CCCE CSc1ncc(CNC(=O)[C@H](O)[C@@H](C)N)s1 2243799034 JCNVHUFXXMDSRJ-IYSWYEEDSA-N 261.372 0.189 10 10 CCCE C[C@]1(NCc2ccc(O)c(O)c2O)CCNC1=O 2260523855 HFIBMUGJFKZFMW-LBPRGKRZSA-N 252.270 0.172 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC[C@@]3(O)C[C@H]3C2)cc1 2265252952 SRPGAQSTOKMDJC-WCQYABFASA-N 282.365 0.555 10 10 CCCE Nc1ccc(CCN2C(=O)[C@@H]3CC[C@H]3S2(=O)=O)cc1 2267944091 ZBVHSJJPUDBIAT-VXGBXAGGSA-N 280.349 0.762 10 10 CCCE CC[C@@H](C)[C@@H](NC(=O)c1cccc(O)c1O)C(N)=O 2278752294 NNCXTJGSHKHGDD-GMSGAONNSA-N 266.297 0.728 10 10 CCCE Nc1ccc(CCC(=O)N2CC[C@@H](O)[C@H](O)CC2)cc1 2284561207 KRQHITALARZVKL-ZIAGYGMSSA-N 278.352 0.546 10 10 CCCE COc1ccc(CNCc2noc(C(N)=O)n2)c(O)c1 2285846225 LKLQVDKSELPNPP-UHFFFAOYSA-N 278.268 0.173 10 10 CCCE COc1cc(OC)c(N2CCO[C@@H](CO)C2)c(OC)c1 2287068817 NSPGILUAFSZWPE-LLVKDONJSA-N 283.324 0.910 10 10 CCCE CN(C)C(=O)N1CC[C@H](NCc2ccc(O)c(O)c2)C1 2288762379 GVKBWHOCSHOWML-NSHDSACASA-N 279.340 0.943 10 10 CCCE CCO[C@H]1CS(=O)(=O)C[C@@H]1N(CC)CCN=[N+]=[N-] 2315988919 MHPAAIUZBYRMHT-UWVGGRQHSA-N 276.362 0.821 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@@H]3C[C@@H](O)[C@H]2C3)cc1 2330787586 CAQDAHDFVYJHDZ-CYZMBNFOSA-N 282.365 0.554 10 10 CCCE CNC[C@@](C)(NCc1ccc(N(C)C)cc1)C(=O)O 2350308640 FTMPGRZINCBFNC-CQSZACIVSA-N 265.357 0.905 10 10 CCCE CCn1nnc([C@H](O)c2ccc3c(c2)CCN3C)n1 1892998503 XMEHFTKRRRFBPB-GFCCVEGCSA-N 259.313 0.767 10 10 CCCE O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/NCCCO 103717011 QFMJWGWHWSOMPX-PKNBQFBNSA-N 289.291 0.125 10 10 CCCE COc1cc(C2CC(N)(C(=O)O)C2)cc(O)c1O 1952680355 MPFJVLFROPULFC-UHFFFAOYSA-N 253.254 0.766 10 10 CCCE CN(CC(=O)NC1CC1)C[C@@H](O)COc1ccc(N)cc1 36797333 ZTDBKDLRYBTZFX-CYBMUJFWSA-N 293.367 0.219 10 10 CCCE Cn1cc([C@H]2CNCCN2C(=O)Cc2ccc(N)cc2)cn1 181353287 WZQQRURQXJTILE-OAHLLOKOSA-N 299.378 0.718 10 10 CCCE COCCNC(=O)[C@H](C)NCc1ccc2c(c1)CCN2C 228985640 RJUXVTPJXUDDBX-LBPRGKRZSA-N 291.395 0.920 10 10 CCCE CC(C)NC(=O)CNCc1ccc(O)c(O)c1O 226749245 IVBCLAHTGPCVPT-UHFFFAOYSA-N 254.286 0.418 10 10 CCCE O=C(NCC1(CCO)CC1)c1ccc(O)c(O)c1 230958800 BGJRLPYGFYKDJB-UHFFFAOYSA-N 251.282 0.990 10 10 CCCE CCC(CO)(CO)N[C@H](C)c1ccc(O)cc1O 232894845 UODVDDUSEUDBQB-SECBINFHSA-N 255.314 0.882 10 10 CCCE Nc1ccc(CCC(=O)NC[C@@H](O)C(F)F)cc1 236350627 PDXFQZPZEAGIKH-SNVBAGLBSA-N 258.268 0.944 10 10 CCCE CC[C@H](CCO)CNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 94955872 MRJYXTLJUPCYTF-PWSUYJOCSA-N 296.367 0.492 10 10 CCCE CN(Cc1ccccc1O)c1cncc(C(N)=O)n1 92689352 NLIQNLZSBXFIDL-UHFFFAOYSA-N 258.281 0.918 10 10 CCCE C[C@H](N)[C@@H](C)C(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 252856821 LAWXNRZKPCSVGW-KHQFGBGNSA-N 296.323 0.193 10 10 CCCE Nc1ccc(CCNC(=O)[C@@H]2CC(C(=O)O)=NO2)cc1 2162281600 AKEQKPWAWQMDRA-NSHDSACASA-N 277.280 0.157 10 10 CCCE C[C@H](NC1CN(S(=O)(=O)N(C)C)C1)c1ccccc1O 858569153 AIRICZWEDHLZBQ-JTQLQIEISA-N 299.396 0.533 10 10 CCCE CN1CCN(C2CN(CCc3ccc(N)cc3)C2)CC1 697954555 WGPVWNSKJUZDBU-UHFFFAOYSA-N 274.412 0.743 10 10 CCCE C[C@@H]1CN(C(=O)c2cc(O)cs2)[C@H](C)CN1CCO 854955075 PTFIUMROHNCMRE-NXEZZACHSA-N 284.381 0.981 10 10 CCCE C[C@@H](CN1CCNCC1)[C@@H](O)c1ccc(O)c(O)c1O 71452037 OMTAPFZEPUCZLD-JOYOIKCWSA-N 282.340 0.378 10 10 CCCE COc1cc2c(c(O)c1OC)[C@H](C1CNC1)NCC2 75823132 LZGNBXHSYPATDK-LBPRGKRZSA-N 264.325 0.816 10 10 CCCE N[C@H](CC1CC1)C(=O)NCc1ccc(O)cc1O 83382455 KMBVWRMZNMXEDF-LLVKDONJSA-N 250.298 0.841 10 10 CCCE Cc1ccc([C@@H](N)c2nnc([C@H](O)CO)o2)c(O)c1 83481003 OCVPOOPMAZQCKV-NXEZZACHSA-N 265.269 0.157 10 10 CCCE CCN(CC)C(=O)CS(=O)(=O)CCCN=[N+]=[N-] 300802113 JGTUQVXTCYYLEJ-UHFFFAOYSA-N 262.335 0.970 10 10 CCCE CN(CCNCc1cccc(F)c1O)S(C)(=O)=O 709589928 UFOAOTZRQGTBIR-UHFFFAOYSA-N 276.333 0.512 10 10 CCCE C[C@@](O)(CO)CNCc1cc([N+](=O)[O-])ccc1O 794748412 OYQZODBGLUMCIC-NSHDSACASA-N 256.258 0.133 10 10 CCCE C[C@H](c1ccccc1O)N1CCNC(=O)[C@@H]1CC(=O)O 86815463 NXWJPZDVIOIJBB-KOLCDFICSA-N 278.308 0.728 10 10 CCCE C[C@H](NC(=O)CC[C@@H]1NC(=O)NC1=O)c1ccccc1O 1302532661 NMQFOOHXWBUXDQ-WPRPVWTQSA-N 291.307 0.558 10 10 CCCE CN(Cc1ccccc1O)C(=O)NCc1nnc(O)n1C 1235607675 NYOHKYFNFSSZHD-UHFFFAOYSA-N 291.311 0.568 10 10 CCCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)[C@H]2[C@@H]3CS(=O)(=O)C[C@@H]32)C1 2117936461 PUXAXPDOJRNHMQ-IMSYWVGJSA-N 284.341 0.578 10 10 CCCE O=C(NCc1cc(O)ccc1O)[C@H](O)c1ccccn1 1176756164 ZFAUPDJFCLKIAN-CYBMUJFWSA-N 274.276 0.843 10 10 CCCE Nc1ccc(NC(=O)CCN2CC=C[C@H]2CO)cc1 2119815672 MONGGOLENPJXPU-ZDUSSCGKSA-N 261.325 0.830 10 10 CCCE Cn1cccc([C@@H](O)[C@@H](N)c2ccccc2O)c1=O 2121262696 FKGUUGYNEOVSLQ-QWHCGFSZSA-N 260.293 0.824 10 10 CCCE N[C@H]1CCc2cc(N3CC[C@H](O)[C@@H](CO)C3)ccc21 2128317122 BMIZAPSGWJERMV-UGFHNGPFSA-N 262.353 0.812 10 10 CCCE NC[C@@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1332115914 JKMVGEXIFJKJDF-JTQLQIEISA-N 289.335 0.042 10 10 CCCE CC(C)NC(=O)NC(=O)CN1CCC(N=[N+]=[N-])CC1 1912185439 PSDTXLRVINOSQQ-UHFFFAOYSA-N 268.321 0.995 10 10 CCCE [N-]=[N+]=NC1CN(C(=O)c2ccc(-n3cncn3)nc2)C1 1912205164 DOAUFJGGUPHYSJ-UHFFFAOYSA-N 270.256 0.797 10 10 CCCE CN(c1cc2c(cc1Cl)[C@@H](N)C(=O)N2)[C@@H]1CCNC1=O 1916802964 YFSZUFTXLLBLBA-MWLCHTKSSA-N 294.742 0.617 10 10 CCCE NC(=O)[C@H]1[C@H]2CN(CCCc3ccc(N)cc3)C[C@H]21 2136633157 VXKBZTXTICPSOL-BTTYYORXSA-N 259.353 0.865 10 10 CCCE COc1ccc2c(c1)S(=O)(=O)CCN2CCC(=O)O 211110415 YLOSVERWNXJBGB-UHFFFAOYSA-N 285.321 0.764 10 10 CCCE C[C@H](NC(=O)Cc1ccc(O)c(O)c1)[C@H]1CN(C)CCO1 1631259497 ZAVKUMHXYLLRRA-IINYFYTJSA-N 294.351 0.476 10 10 CCCE O=C(/C=C\c1ccc(O)c(O)c1)NCCn1cnnc1 1569266398 HENJBBQSXNCPPA-RQOWECAXSA-N 274.280 0.519 10 10 CCCE C[C@H]1CO[C@H](CO)CN1C(=O)CCOc1ccc(N)cc1 166933101 ZNTARTVEXHOCIJ-FZMZJTMJSA-N 294.351 0.646 10 10 CCCE NCc1ccc(N2CCO[C@H](CO)C2)cc1Cl 167788340 REKPCMXXQAHARX-NSHDSACASA-N 256.733 0.996 10 10 CCCE C[C@H]1C[C@@H](NC(=O)Cc2ccc(N)cc2)CCS1(=O)=O 1122344983 NOUPRDIMLHDBKX-GWCFXTLKSA-N 296.392 0.893 10 10 CCCE CC(=O)NCCNC(=O)CCNCc1cc(C)ccc1O 1857861747 HPZXXSRRIMBJFZ-UHFFFAOYSA-N 293.367 0.433 10 10 CCCE NCC[C@H]1CN(C(=O)Nc2ccc(N)cc2)CCO1 1876137683 VQIBEGGSEQPGII-LBPRGKRZSA-N 264.329 0.850 10 10 CCCE COC(=O)c1cccc(N)c1N[C@H]1CCOC[C@@H]1N 1876452857 DOAMJINGILTDGK-QWRGUYRKSA-N 265.313 0.584 10 10 CCCE C[S@@](=O)(=NC(=O)COc1ccc(N)cc1)C1CNC1 1876440469 BLGMNUQVSAIROZ-IBGZPJMESA-N 283.353 0.244 10 10 CCCE CCOC[C@@H](N)C(=O)N(C)Cc1ccccc1O 1964328496 QWARQNFYYNVIRQ-LLVKDONJSA-N 252.314 0.714 10 10 CCCE CCN(CC)c1ccc([C@@H](O)[C@H](N)C(=O)O)c(OC)c1 1951903404 VJVDDGBJGDGQRP-QWHCGFSZSA-N 282.340 0.987 10 10 CCCE CON(C)C1CN(C[C@H](O)COc2ccc(N)cc2)C1 2144632564 UIUKOGSUARDFKS-ZDUSSCGKSA-N 281.356 0.186 10 10 CCCE C[C@@]1(CNC(=O)Cc2ccc(O)c(O)c2)CCCN1 1971644415 QBSJJZKXMUZQEM-AWEZNQCLSA-N 264.325 0.899 10 10 CCCE CN1CCc2cc([C@@H](O)[C@@H](N)c3cnnn3C)ccc21 2148259674 PRRAYNOUWLYOFV-UONOGXRCSA-N 273.340 0.541 10 10 CCCE Nc1ccc(CC(=O)NCCS(=O)(=O)C2CC2)cc1 1972713671 VLBQAFIYXVPJGJ-UHFFFAOYSA-N 282.365 0.505 10 10 CCCE COC1(OC)CC[C@H]1NC(=O)Cc1ccc(O)c(O)c1 1972984752 MQIZIECXWPNROU-GFCCVEGCSA-N 281.308 0.908 10 10 CCCE O=S1(=O)CCC(NCc2cc3c(cc2O)OCO3)CC1 42879821 UEABLNBNSJEZJE-UHFFFAOYSA-N 299.348 0.788 10 10 CCCE Nc1ccc(NC(=O)CN2C[C@@H](O)[C@H](C3CC3)C2)cc1 2146832172 GUHDDVLNZYKWTF-UONOGXRCSA-N 275.352 0.910 10 10 CCCE NC(=O)[C@@H]1CCCN(CCOc2ccc(N)cc2)C1 36671388 IEOPLZNBMAGEIC-LLVKDONJSA-N 263.341 0.845 10 10 CCCE C[S@](=O)C1CN(C(=O)Nc2ccc(N)cc2)C1 2004528817 IJYLODFRUPASGB-KRWDZBQOSA-N 253.327 0.863 10 10 CCCE NC(=O)[C@@H](NC(=O)CCOc1ccc(N)cc1)C1CC1 2152800885 GBZHVJNRGRTNMB-ZDUSSCGKSA-N 277.324 0.418 10 10 CCCE NCc1nc(C(=O)Nc2ccc(O)cc2C(=O)O)co1 2153517138 UZESSWFIRVCPOB-UHFFFAOYSA-N 277.236 0.789 10 10 CCCE CC[C@@H](NS(=O)(=O)Cc1ccc(N)cc1)C(=O)N(C)C 2156450239 HXTBEQXDMLNOFJ-GFCCVEGCSA-N 299.396 0.555 10 10 CCCE C[C@H](CS(N)(=O)=O)NCc1ccc2c(c1)CCO2 2035446800 QCLURJPFUVEFCQ-SECBINFHSA-N 270.354 0.388 10 10 CCCE COCCNCc1ccc(N(C)CC(N)=O)cc1C 62735617 WCEDFUSYWYRUTJ-UHFFFAOYSA-N 265.357 0.653 10 10 CCCE Nc1ccc(OCC(=O)N2CCC[C@](F)(CO)C2)cc1 2157518642 CNZKCDXHONNQDS-CQSZACIVSA-N 282.315 0.971 10 10 CCCE CS(=O)(=O)N1CC[C@H](Nc2c(N)cccc2C(=O)O)C1 400204033 SHGIBROBBCUTNZ-QMMMGPOBSA-N 299.352 0.413 10 10 CCCE Nc1ccc(CCCN2CCNS2(=O)=O)cc1 308379214 JPELZOVYSDVCHX-UHFFFAOYSA-N 255.343 0.351 10 10 CCCE CN(CC(=O)c1ccc(O)c(O)c1)Cc1nncn1C 312435266 IMDBUYOKAHSKIA-UHFFFAOYSA-N 276.296 0.541 10 10 CCCE Nc1ccc(OCCC(=O)NCCc2ncn[nH]2)cc1 80539615 OACRDYSVGFFZFR-UHFFFAOYSA-N 275.312 0.515 10 10 CCCE NCc1ccc(N2CCN3C(=O)NC(=O)[C@H]3C2)c(Cl)c1 2171304524 HFHSRZHNTAYOKH-LLVKDONJSA-N 294.742 0.539 10 10 CCCE Nc1ccc(OCC(=O)NCc2ncccn2)cc1 705289057 OFURWRHWRHPTJU-UHFFFAOYSA-N 258.281 0.754 10 10 CCCE CN(C)C[C@H](O)CN(C)C(=O)Cc1ccc(N)cc1 690230316 BJXAVYZFBPBDMU-ZDUSSCGKSA-N 265.357 0.192 10 10 CCCE CCS(=O)(=O)NCCN[C@H](C)c1c(O)cccc1O 390039891 IFZCVEKWJPHUHL-SECBINFHSA-N 288.369 0.688 10 10 CCCE CN1CC(CN(C)c2cc3c(cc2F)[C@H](O)C(=O)N3)C1 692222894 VOGVDZRXYGKXLR-ZDUSSCGKSA-N 279.315 0.809 10 10 CCCE CN(C)C[C@@H](O)CN1CCN(c2ccc(N)cc2)CC1 383959719 BVUCXFMSEBNXBV-OAHLLOKOSA-N 278.400 0.313 10 10 CCCE CCOc1cccc(CN[C@H](CO)CN(C)C)c1O 716752718 KRDLZWILDGMULF-LBPRGKRZSA-N 268.357 0.803 10 10 CCCE CO[C@@H]1CS(=O)(=O)C[C@H]1N(C)CCCN=[N+]=[N-] 696998866 WONRWPQKVLDAKX-RKDXNWHRSA-N 262.335 0.431 10 10 CCCE CNCCS(=O)(=O)N(C)[C@H](C)c1ccccc1O 722239137 KSYXRHNROLSHHE-SNVBAGLBSA-N 272.370 0.934 10 10 CCCE C[C@H](C[S@](C)=O)N(C)c1ccc2c(c1)N(C)C(=O)[C@@H]2N 398897764 ARMLOIQAHRORSY-RAFNUXFDSA-N 295.408 0.866 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3CC[C@H]4[C@@H]3C[C@H]4O)cc21 2178171047 ZPAGZTNGUTVGAT-OLRMPSLUSA-N 273.336 0.622 10 10 CCCE C[C@H](CNC(=O)c1cc(O)c(O)c(O)c1)[C@@H](F)C(=O)O 2188868253 NYLUBEDFQXFMCR-MLUIRONXSA-N 287.243 0.592 10 10 CCCE COc1ccc(N2CCN[C@@H]3COC[C@@H]32)c([N+](=O)[O-])c1 2189101463 YRJLMLIRTJBJMR-MFKMUULPSA-N 279.296 0.780 10 10 CCCE N[C@@H]1CCOCC[C@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 2056976847 UAKASMBSIPBENM-GWOFURMSSA-N 254.330 0.006 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1C[C@@H](F)[C@H](CO)C1 2056997262 DUGXOJHPHDVUHN-DTWKUNHWSA-N 255.245 0.500 10 10 CCCE O=C1NCC2(CN(c3ccc(CO)c(Cl)c3)C2)N1 2057539526 GNINYTNGOOQJRW-UHFFFAOYSA-N 267.716 0.704 10 10 CCCE [N-]=[N+]=NCCCN[C@@]1(C(N)=O)COC2(CCC2)C1 2058571926 AFACWYJMBBIPDR-LLVKDONJSA-N 253.306 0.844 10 10 CCCE CON1CC[C@H](NC(=O)CCOc2ccc(N)cc2)C1 2191661764 LFBXWTPAQDSDBC-LBPRGKRZSA-N 279.340 0.790 10 10 CCCE O=C1C[C@@H](NCc2ccc(O)c(O)c2O)CCN1 2066264061 XIPYCILNHBXLNK-QMMMGPOBSA-N 252.270 0.172 10 10 CCCE CC1(C)[C@H](O)C[C@@]1(CO)NCc1ccc(N)cc1 2073611403 RZCJBGOJFHIYGB-OCCSQVGLSA-N 250.342 0.880 10 10 CCCE C[C@H](c1c(O)cccc1O)N1CCC[C@](O)(CN)C1 2101322702 UYTUIERFQUDVGJ-YGRLFVJLSA-N 266.341 0.944 10 10 CCCE Nc1cccc(C(=O)O)c1N[C@@H]1CO[C@H]2COC[C@@H]12 2101868040 JRWBIQXIMQNZNC-GDPRMGEGSA-N 264.281 0.793 10 10 CCCE CN(C)C[C@H]1CCN1c1ccc2c(c1)NC(=O)[C@H]2O 2104539643 GZSPCIZOWYOVFS-MFKMUULPSA-N 261.325 0.812 10 10 CCCE COCC12CC(C(=O)NCCCN=[N+]=[N-])(CO1)C2 2085224304 KASWWWMSPKYTTF-UHFFFAOYSA-N 254.290 0.999 10 10 CCCE O=S(=O)(Nc1ccc(O)c(F)c1)N1CCC[C@@H]1CO 2105591884 WGEWFCBMIWLMIJ-SECBINFHSA-N 290.316 0.645 10 10 CCCE Nc1ccc(O)c(CNC(=O)c2cc(O)ncn2)c1 2109505599 AUSQCIZIKDEIAD-UHFFFAOYSA-N 260.253 0.400 10 10 CCCE Nc1ccc(OCC(=O)N[C@@H](CO)CC2CC2)cc1 2090429855 HYVKNDKXMKLFDY-GFCCVEGCSA-N 264.325 0.925 10 10 CCCE CN(C)c1ccc([C@H](O)[C@@H](N)c2nnn(C)n2)cc1 2091681350 ZXSWEBOGGLMULM-MNOVXSKESA-N 262.317 0.010 10 10 CCCE CCn1cc(Cn2ccc3c(c2=O)CNCC3)nn1 2094405977 ACDSGGSSOAZCAV-UHFFFAOYSA-N 259.313 0.154 10 10 CCCE COc1ccc(N2CC[C@H](O)[C@@](C)(O)C2)c([N+](=O)[O-])c1 2201531463 YJYWTWBFXOCFGJ-STQMWFEESA-N 282.296 0.925 10 10 CCCE CN1CCc2cc(CN3C[C@H](O)C[C@H]3C(=O)O)ccc21 2200879344 UCPWPFJKCXUHBP-OCCSQVGLSA-N 276.336 0.699 10 10 CCCE CCNCc1ccc(N2C[C@H](O)[C@H](O)[C@H]2CF)cc1C 2205612246 NGRSOWVPKMCDAA-QLFBSQMISA-N 282.359 0.984 10 10 CCCE N[C@H]1C(F)(F)C12CC(NC(=O)c1cc(O)nc(O)c1)C2 2207114813 TYBMWFCZJQFOJZ-SIDNPXFCSA-N 285.250 0.348 10 10 CCCE CN1CCO[C@H](C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])C1 2218735300 NDNRHVYCYBNJHF-UTLUCORTSA-N 253.306 0.665 10 10 CCCE CN(C)CCN(CCO)c1ccc2c(c1)CCO2 2219578382 XYLKGRXKPATSES-UHFFFAOYSA-N 250.342 0.982 10 10 CCCE Cc1cc([C@@H](C)O)ccc1N1C[C@@H](O)C[C@H](O)C1 2223972329 FEYJKIVTGKLISD-WXHSDQCUSA-N 251.326 0.980 10 10 CCCE NCc1ccc(N2C[C@H]3[C@H]4C[C@@H]([C@@H](O)[C@H]4O)[C@@H]3C2)cc1 2237057078 RAKFABHZSDCWBN-XMEMRUQMSA-N 274.364 0.569 10 10 CCCE COc1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CF)c(CN)c1 2227685741 JWKFVEPCZVDXQK-AGIUHOORSA-N 270.304 0.034 10 10 CCCE Nc1cc(NS(=O)(=O)N2CCC[C@H]2CO)ccc1O 2227868489 MMUDGWWYXSIVEV-VIFPVBQESA-N 287.341 0.088 10 10 CCCE CN(CCCN)C(=O)COc1ccc(N(C)C)cc1 2229379855 BNJUCZCFSZYSHE-UHFFFAOYSA-N 265.357 0.939 10 10 CCCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2C(N)=O)CC1 2256343407 DOJVJISOBZTNOS-HRDYMLBCSA-N 251.290 0.799 10 10 CCCE Nc1ccc(OCCC(=O)NC[C@@H]2CC[C@H]2N)cc1 2271940238 NXEBETMVSBADRW-GXFFZTMASA-N 263.341 0.891 10 10 CCCE CSc1ncc(CNC(=O)[C@@H](N)Cc2cnc[nH]2)s1 2269091170 UQELYCYXGAXHRZ-VIFPVBQESA-N 297.409 0.774 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3CC[C@]4(O)C[C@H]4C3)cc21 2280025847 GLDGARIMCDEORI-RJIBLYRGSA-N 273.336 0.624 10 10 CCCE COc1ccc(N2CCNC(=O)[C@H]2C2CNC2)cc1 2351732713 SBGPQVNHYRXUIR-CYBMUJFWSA-N 261.325 0.219 10 10 CCCE COc1cccc(CNC(=O)[C@H]2CCN(C(C)=O)C2)c1O 175258189 NIKACBYOLIAIQD-LBPRGKRZSA-N 292.335 0.885 10 10 CCCE [N-]=[N+]=NCCCCNS(=O)(=O)N1CCOCC1 231733663 PIOFDYZQVGTMRN-UHFFFAOYSA-N 263.323 0.244 10 10 CCCE COCCN1CCCN(C(=O)Cc2ccc(N)cc2)CC1 37826853 RYDVOCCDBZIVTB-UHFFFAOYSA-N 291.395 0.992 10 10 CCCE CCNC(=O)CN(C)Cc1ccc(OC)cc1O 133189003 PZVIEWAFMJJPLO-UHFFFAOYSA-N 252.314 0.969 10 10 CCCE CNCc1ccc(N2CC(=O)NC(=O)C2)c(F)c1 97269850 XDPSLMUJRTWHLQ-UHFFFAOYSA-N 251.261 0.008 10 10 CCCE CNS(=O)(=O)CCN[C@H](C)c1c(O)cccc1O 230982908 GLGZQIZDSGSFNW-MRVPVSSYSA-N 274.342 0.298 10 10 CCCE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](C)NC(N)=O 808094335 KRAKBMIBYJZVDZ-QMMMGPOBSA-N 286.328 0.551 10 10 CCCE C[C@@H]1CN(c2ccc(CN)cc2F)C[C@H](CO)O1 299984984 INQXSNHLOWBRPJ-MWLCHTKSSA-N 254.305 0.870 10 10 CCCE [N-]=[N+]=NCCCN[C@H](C(N)=O)[C@@H]1C[C@]12CCCOC2 1896765845 DQAYTZOGDYVIFE-NHCYSSNCSA-N 267.333 0.947 10 10 CCCE COc1ccc(O)c(CN2CCO[C@@H]([C@H](C)O)C2)c1 840977879 KUXXBWKYIJFZDO-IINYFYTJSA-N 267.325 0.982 10 10 CCCE [N-]=[N+]=N[C@@H]1C=CC[C@@H](C(=O)N2CCO[C@@H](C(=O)O)C2)C1 958720330 NNUCNOOZSVCRNY-OPRDCNLKSA-N 280.284 0.944 10 10 CCCE [N-]=[N+]=N[C@H]1CCCN(C(=O)C2=NNC(=O)CC2)C1 701264849 ZXUFPQNSUMKDTH-ZETCQYMHSA-N 250.262 0.554 10 10 CCCE N[C@@H](c1nnc(/C=C/C(=O)O)o1)c1cc(O)ccc1O 83578791 ULUCBYKTKZWBSR-PGLGOXFNSA-N 277.236 0.627 10 10 CCCE COc1ccc(N2CCNC(=O)[C@@H](C)C2)cc1C(=O)O 84677281 PIKOVVXYVSTPKN-VIFPVBQESA-N 278.308 0.966 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@H](CO)[C@H]1CCOC1 1137916572 QZBBFHCCRNDZDB-WDEREUQCSA-N 281.308 0.154 10 10 CCCE CNCc1ccc(N2CC(NS(C)(=O)=O)C2)c(F)c1 703162572 HFQHVFZMIRRWQY-UHFFFAOYSA-N 287.360 0.283 10 10 CCCE CCOc1cccc(CN2CC[C@](O)(C(=O)OC)C2)c1O 895708569 SLOOKXCUFLVBSX-OAHLLOKOSA-N 295.335 0.901 10 10 CCCE COCCNCc1ccc(N2CCNC(=O)CC2)cc1 62738463 YPNXLQFWQPQYRW-UHFFFAOYSA-N 277.368 0.749 10 10 CCCE [N-]=[N+]=NCC1CCN(S(=O)(=O)C2COC2)CC1 1912170350 VZOAGTLNCCVNHF-UHFFFAOYSA-N 260.319 0.737 10 10 CCCE Nc1ccc(N2C(=O)N[C@H]([C@@H]3CCCO3)C2=O)cc1 2115903710 ZZDVLBCBOMIMDE-WDEREUQCSA-N 261.281 0.873 10 10 CCCE CCCNC1CN(C(=O)Cc2ccc(O)c(O)c2)C1 2116297975 ZWJOJZGBQIXJAT-UHFFFAOYSA-N 264.325 0.851 10 10 CCCE CN(C)CC1(NCc2ccc(O)c(O)c2O)COC1 2120347747 APRDFWMLTZVWIP-UHFFFAOYSA-N 268.313 0.224 10 10 CCCE C[C@H](NCc1ccc(O)c(O)c1O)c1nc(=O)o[nH]1 2121354560 VEXZQHFFZTXVIC-YFKPBYRVSA-N 267.241 0.331 10 10 CCCE Oc1ccc(CN2CCO[C@H]3CCNC[C@@H]32)c(O)c1 2129070519 DYUZSTKDRCTZEF-JSGCOSHPSA-N 264.325 0.661 10 10 CCCE C[C@@H]1CNC(=O)CN1c1ccc(CO)c([N+](=O)[O-])c1 2132057263 BTZUULWLTREFEB-MRVPVSSYSA-N 265.269 0.412 10 10 CCCE CC1(C(=O)O)CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2132348338 JKMPLLXPBGTJPT-UHFFFAOYSA-N 267.237 0.350 10 10 CCCE O=C(N[C@@H]1C[C@H]2C[C@H]1CN2)c1cc(O)c(O)c(O)c1 2132412648 FYUKQTUGNVFKBZ-DJLDLDEBSA-N 264.281 0.284 10 10 CCCE CN(C)[C@@H]1CC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2132402054 WXNBNLHRUXTMSV-RKDXNWHRSA-N 266.297 0.626 10 10 CCCE C[C@H](CN)CCCNC(=O)c1cc(O)c(O)c(O)c1 2132411190 SXCHOACDWXAYCD-QMMMGPOBSA-N 268.313 0.908 10 10 CCCE CNS(=O)(=O)CCN[C@@H](C)c1ccc(OC)cc1O 221099493 QHCIPMQGOYMFOC-VIFPVBQESA-N 288.369 0.601 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)CCSCC(N)=O)C1 1912148808 XXSRWNCCNFNJQP-QMMMGPOBSA-N 271.346 0.754 10 10 CCCE CN(CCCN=[N+]=[N-])C[C@H]1CCS(=O)(=O)N1C 1912203526 DUDBACCJLCVHPD-SECBINFHSA-N 261.351 0.653 10 10 CCCE Nc1cc2c(cc1N1CC[C@](F)(CO)C1)OCCO2 1917113241 VUFIJCILSXXVRS-CYBMUJFWSA-N 268.288 0.951 10 10 CCCE CC[C@@H](CO)NC(=O)[C@@H](C)Oc1ccc(N)cc1 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COC1(OC)CN(C(=O)Cc2ccc(O)c(O)c2)C1 1882296806 RKHTUUBOOJYBQT-UHFFFAOYSA-N 267.281 0.472 10 10 CCCE O=C(N[C@]12CCNC[C@@H]1C2)c1cc(O)c(O)c(O)c1 1891124097 USCWGPCREDMXFA-SDBXPKJASA-N 264.281 0.285 10 10 CCCE C[C@H](CC(N)=O)N(C)c1cc2c(cc1N)OCC(=O)N2 2151341314 XSVVUCIDWCXRON-SSDOTTSWSA-N 278.312 0.300 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N(C)[C@@H](C)CC(N)=O)ccc21 2151340072 INCYGGCGMTWIQW-ISVAXAHUSA-N 276.340 0.599 10 10 CCCE CN(C)C(=O)OC1CN(C(=O)c2ccc(O)c(O)c2)C1 2146486907 JNDGWYXXWJNMAG-UHFFFAOYSA-N 280.280 0.620 10 10 CCCE COC(=O)c1cc(OC)c(O)c([C@H](N)CC(=O)O)c1 258405688 BKWRVMFDTMDZMA-MRVPVSSYSA-N 269.253 0.662 10 10 CCCE Nc1ccc(CC(=O)N[C@H](C(=O)O)[C@@H]2CCOC2)cc1 2149331386 SLTLDCKVAIRKGM-MFKMUULPSA-N 278.308 0.417 10 10 CCCE CNC(=O)OC1CN(c2ccc3c(c2)NC(=O)[C@H]3N)C1 2146878488 CQPMSWIQBDOFMQ-NSHDSACASA-N 276.296 0.183 10 10 CCCE CN[C@@H](c1ncn(C)n1)[C@@H](O)c1ccc(N(C)C)cc1 2147842412 ATJQHBFYZXYAJB-OLZOCXBDSA-N 275.356 0.875 10 10 CCCE CCN[C@H](c1ccccc1O)[C@]1(O)CCS(=O)(=O)[C@H]1C 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COc1ccc(N2CC[C@@H]3C(=O)NC(=O)[C@@H]3C2)c(N)c1 2158789041 HISGEBRPQZYMHM-VHSXEESVSA-N 275.308 0.376 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3CC(F)(F)C[C@H]3CO)ccc21 2159051612 ZJGMZNAZBQKDLM-GZMMTYOYSA-N 283.278 0.845 10 10 CCCE Nc1ccc(N2CCN(CCn3cncn3)C2=O)cc1 380184972 BWKADXVGWHNZIW-UHFFFAOYSA-N 272.312 0.803 10 10 CCCE CN(C[C@@H](O)COC(=O)Cc1ccc(N)cc1)C1CC1 380963090 PZTJOXODDZJGDF-CQSZACIVSA-N 278.352 0.810 10 10 CCCE O=c1nc(CCNCc2cc3c(cc2O)OCO3)[nH]o1 392156045 OEOAMCGGJXYXBA-UHFFFAOYSA-N 279.252 0.130 10 10 CCCE NC(=O)CN(Cc1ccc(N)cc1)Cc1cnsn1 399826714 GNQHUICTSQANEH-UHFFFAOYSA-N 277.353 0.608 10 10 CCCE C[C@H](CO)N1CCN(C(=O)c2ccc(O)c(O)c2)CC1 2169354254 NUOSGIVBGMNSPH-SNVBAGLBSA-N 280.324 0.236 10 10 CCCE CN(C)C(=O)C1CN(CC(=O)Nc2ccc(N)cc2)C1 2177537647 GHUPKWDLUZBFJX-UHFFFAOYSA-N 276.340 0.227 10 10 CCCE CCN(C)[C@@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)C1 2188921968 DQHRSYDDNJSVTK-SNVBAGLBSA-N 280.324 0.970 10 10 CCCE CN[C@H](C)c1ccc(N2CC3(C2)OC[C@@H](O)[C@H]3O)cc1 2183626447 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COc1cc(N2CCOC[C@](C)(CO)C2)ccc1CN 2204535608 IIVTWQAVDJDATE-HNNXBMFYSA-N 280.368 0.989 10 10 CCCE Cc1cccc(CNC(=O)[C@@]2(N)C[C@@H](O)C2(C)C)c1O 2204623358 JVXQJNBCUVIAOO-ABAIWWIYSA-N 278.352 0.805 10 10 CCCE CN(CCCN=[N+]=[N-])C(=O)[C@@H]1CC[C@@H](C(=O)O)O1 2218734406 DXHNNMFFABTRIV-YUMQZZPRSA-N 256.262 0.777 10 10 CCCE CN(C[C@@H](O)COc1ccc(N)cc1)[C@H]1C[C@@H](O)C1 2224214142 RFAZRQJUJWWCNL-FRRDWIJNSA-N 266.341 0.464 10 10 CCCE O=C(N[C@@H]1C[C@H]2CC[C@H]1CNC2)c1cc(O)nc(O)c1 2234537893 ZEMYZYONPYSQSY-WCABBAIRSA-N 277.324 0.611 10 10 CCCE OC[C@@H]1[C@@H](O)[C@H](O)CN1c1ccc(OCC(F)F)cc1 2235080415 OTUIVZSEFBQWBE-NQBHXWOUSA-N 289.278 0.233 10 10 CCCE Nc1ccc(NC(=O)N2CC[C@H]2[C@@H](O)CO)cc1 2258346763 UBTIYMSAZMCZBB-QWRGUYRKSA-N 251.286 0.228 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@@H](O)CN1 2264583443 HYECDURWZGWSDF-NEPJUHHUSA-N 264.325 0.464 10 10 CCCE COc1ccc(CN2C[C@H](O)CC[C@@H]2C(=O)O)c(O)c1 2279208864 XXGWJACBZIIBQA-ZYHUDNBSSA-N 281.308 0.811 10 10 CCCE C[C@H](NC(=O)[C@H]1CCOCCN1)c1ccccc1O 2269861194 WHOBOQNWZLYZMB-CMPLNLGQSA-N 264.325 0.948 10 10 CCCE CO[C@H]1CCN(CCNC(=O)Cc2ccc(N)cc2)C1 2283058755 YYILLNHQRGOAOS-AWEZNQCLSA-N 277.368 0.648 10 10 CCCE CCN(CCN=[N+]=[N-])S(=O)(=O)c1cnnn1CC 2315992996 VDGUFBUEKBQKDK-UHFFFAOYSA-N 273.322 0.619 10 10 CCCE O=C(N[C@@H]1C[C@@H]2C[C@H]1C[C@H]2O)c1cc(O)nc(O)c1 2330909980 YQBAXHHTIFISQC-AKEJEFCPSA-N 264.281 0.382 10 10 CCCE CO[C@]1(C)C[C@@H]2C[C@H]1C[C@@]2(NCCN=[N+]=[N-])C(N)=O 2331588525 SNESGTACRKOYTK-XPXLGCRWSA-N 267.333 0.945 10 10 CCCE CS(=O)(=O)[C@@H]1CC[C@@](NCCCN=[N+]=[N-])(C(N)=O)C1 2336495422 VNOHRGHNERQVRG-SCZZXKLOSA-N 289.361 0.098 10 10 CCCE CCNC(=O)C[S@@](=O)CCOc1ccc(N)cc1 306000447 PNZUOIHNFBWUMU-SFHVURJKSA-N 270.354 0.532 10 10 CCCE CN1C[C@@H]2C[C@H](C1)N2c1ccc(CO)cc1[N+](=O)[O-] 2131086033 KZCZOWYLHSNFLN-PHIMTYICSA-N 263.297 0.980 10 10 CCCE CC(C)CN(CC(N)=O)CC(=O)N(C)c1ccc(N)cc1 42690866 GDGMBOOGVBZOHW-UHFFFAOYSA-N 292.383 0.675 10 10 CCCE [N-]=[N+]=NCCN[C@]1(C(N)=O)COCc2ccccc21 226018067 MAIYVQCVBSRVDP-GFCCVEGCSA-N 261.285 0.797 10 10 CCCE CC(=O)C(=O)[C@@](C)(O)[C@@H]1CCN1C(=O)OC(C)(C)C 1953608139 DVEWUCKLKZZGQK-ZANVPECISA-N 271.313 0.905 10 10 CCCE C[C@H](N[C@@H]1C[C@H]2C[C@H]1[C@@H](O)[C@@H]2O)c1ccc(O)cc1O 2166421562 VKISYGOGFKAVOJ-JQGJATGQSA-N 279.336 0.879 10 10 CCCE CC(=O)C(=O)COC(=O)c1ccc(-n2cncn2)cc1 808498312 PMIWANFIBQLCTN-UHFFFAOYSA-N 273.248 0.582 10 10 CCCE O=C(O)c1cc(CN2CCOCC2)c(O)cc1O 642880457 SIAJPIOVBMAVKU-UHFFFAOYSA-N 253.254 0.628 10 10 CCCE CCOC(=O)C(=O)[C@@H](N)c1cc(O)c(O)c([N+](=O)[O-])c1 725426126 OYGPAWMEOIGFHM-QMMMGPOBSA-N 284.224 0.138 10 10 CCCE O=C(CCN1CCOC1=O)NCc1c(O)cccc1F 928712705 WUJXGSJXQPCAOU-UHFFFAOYSA-N 282.271 0.990 10 10 CCCE Oc1cc2c(cc1CN1CCOC3(CNC3)C1)OCO2 853250022 YNKGNPMHKIONRB-UHFFFAOYSA-N 278.308 0.295 10 10 CCCE O=C1CC[C@H](C(=O)NCCc2ccc(O)c(O)c2)O1 866757301 PJMPLAXTNOJVQX-LLVKDONJSA-N 265.265 0.462 10 10 CCCE CC(=O)C(=O)COC(=O)[C@]1(C)Oc2ccccc2NC1=O 869586675 YLMHYCXOXRLSMN-CQSZACIVSA-N 291.259 0.478 10 10 CCCE 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O=C(NC1CC2(C1)CS(=O)(=O)C2)c1cccc(O)c1O 1148219867 CPNCWMZVTFBSID-UHFFFAOYSA-N 297.332 0.405 10 10 CCCE C[P@]1(=O)C[C@@H](O)[C@H](NC(=O)Cc2ccc(O)c(O)c2)C1 2177815223 ZQFNHKJSKKAXQD-FRKIPOMISA-N 299.263 0.493 10 10 CCCE CN(C[C@H]1[C@H]2OCC[C@H]12)C(=O)c1cc(O)c(O)c(O)c1 2188916087 MWKDGHKOCXELSX-KKFJDGPESA-N 279.292 0.910 10 10 CCCE NCc1cc(F)c(N2C[C@@H]3C[C@H](C2)[C@@H](O)[C@@H]3O)c(F)c1 2182563082 ZJWPACUXMSFRFD-HZZFPTLFSA-N 284.306 0.601 10 10 CCCE C[C@H](O)c1ccc(N2CC3(C2)OC[C@H](O)[C@H]3O)cc1Cl 2183638413 GMIRUYQSWPILDZ-AQUOVQTQSA-N 299.754 0.704 10 10 CCCE COC(=O)C1(O)CN(c2c(F)cc([C@@H](C)N)cc2F)C1 2194697303 MOENEFVHIYQCIQ-SSDOTTSWSA-N 286.278 0.709 10 10 CCCE Nc1ccc(NS(=O)(=O)[C@H]2C[C@@H](C(=O)O)C2)cc1 2044145156 WORXACNUUPABBI-WKFQBHICSA-N 270.310 0.874 10 10 CCCE C[C@H]1CCOCC[C@]1(NCCCN=[N+]=[N-])C(N)=O 2046712136 XNXUIXDADINEIE-GXSJLCMTSA-N 255.322 0.947 10 10 CCCE CN(C[C@]1(O)CCOC1)c1ccc2c(c1)NC(=O)[C@H]2N 2185944765 QUQDCIDVWGRQLB-GXTWGEPZSA-N 277.324 0.226 10 10 CCCE 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CC1(CNC(=O)COc2ccc(N)cc2)OCCO1 1989353595 AONYPMRPEVAERM-UHFFFAOYSA-N 266.297 0.527 10 10 CCCE NC1CN(S(=O)(=O)Nc2ccc(O)cc2Cl)C1 1996873530 VEWVBVMSSQTQIS-UHFFFAOYSA-N 277.733 0.345 10 10 CCCE CS(=O)(=O)CCCNC(=O)CCc1ccc(N)cc1 44362016 JXHPFYVQEYIPDX-UHFFFAOYSA-N 284.381 0.752 10 10 CCCE O=C(c1cccc(O)c1O)N1CC2(C1)OCCC[C@@H]2O 2159660605 YNMILHPQPGTDJQ-NSHDSACASA-N 279.292 0.464 10 10 CCCE CC(C)C(=O)CNC(=O)Cc1ccc(O)c(O)c1 2027486221 ZHOUMBYPDNFTQZ-UHFFFAOYSA-N 251.282 0.982 10 10 CCCE CN1C[C@@H](O)[C@H](Oc2ccc(N3CCNCC3)cc2)C1 2156908232 NOGLCKFFESSBDG-HUUCEWRRSA-N 277.368 0.150 10 10 CCCE [N-]=[N+]=N[C@@H]1CCCN([C@@H]2CN(C3CC3)C[C@H]2O)C1 2039190740 ATFSBKVNIDVUQL-YUSALJHKSA-N 251.334 0.969 10 10 CCCE O=c1nc(C2=S=Nc3ccccc32)[nH]c2c1CNCC2 2159963893 LGSJLWSAICDDNQ-UHFFFAOYSA-N 284.344 0.896 10 10 CCCE Nc1ccc(CCN2CCN3C[C@H](O)C[C@@H]3C2)cc1 405267511 SCGVOLIAIGTDEV-HUUCEWRRSA-N 261.369 0.562 10 10 CCCE NC(=O)CCCCN(CC(N)=O)Cc1ccc(N)cc1 312296596 VVVMPEFBUTXGKS-UHFFFAOYSA-N 278.356 0.212 10 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2253558682 VXBHOVILQHLWAA-MNOVXSKESA-N 251.282 0.802 10 10 CCCE OCc1ccc(N2CC[C@H](O)[C@H](O)CC2)c(F)c1 2256957553 DHZQXZHKIZPEPZ-BETUJISGSA-N 255.289 0.640 10 10 CCCE C[C@@H](NCC1(O)CS(=O)(=O)C1)c1ccc(F)cc1O 2267891480 DUFBQIANTZADIF-MRVPVSSYSA-N 289.328 0.341 10 10 CCCE Nc1ccc(CCN2C(=O)[C@H]3CC[C@@H]3S2(=O)=O)cc1 2267944090 ZBVHSJJPUDBIAT-RYUDHWBXSA-N 280.349 0.762 10 10 CCCE CCc1nn[nH]c1CNC(=O)Cc1ccc(O)c(O)c1 2290369806 GKZZYNVPESWXRP-UHFFFAOYSA-N 276.296 0.637 10 10 CCCE CC[C@@H]1[C@@H](O)CCN1c1cc2c(cc1N)OCC(=O)N2 2288917489 LLGFMEAUBLCSEW-PWSUYJOCSA-N 277.324 0.949 10 10 CCCE NCCCC[C@H](NC(=O)c1ccc(O)c(O)c1)C(=O)O 2289601709 LYBIRWHMHDHRAN-VIFPVBQESA-N 282.296 0.410 10 10 CCCE CO[C@@H]1[C@@H](O)C[C@@H]1N[C@H](C)c1ccc(O)cc1O 2313159890 HUDYCVPQCJQBBC-PXMUGDLCSA-N 253.298 0.897 10 10 CCCE O=C(O)CCOCCNC(=O)c1cccc(O)c1O 302634420 DQAFGYKEBGLPKE-UHFFFAOYSA-N 269.253 0.319 10 10 CCCE C[C@@H](O)c1cc(F)c(N2C[C@@H]3C[C@H]2[C@@H](O)[C@@H]3O)c(F)c1 2357381687 YMTNTYSQOMLHOG-MSERNPIVSA-N 285.290 0.948 10 10 CCCE NC(=O)C1CCN(C(=O)CCOc2ccc(N)cc2)CC1 40295553 ICQYBMNOPXNBBD-UHFFFAOYSA-N 291.351 0.762 10 10 CCCE COC1CCN(C(=O)[C@@H](N)Cc2ccc(O)c(O)c2)CC1 40459702 MXCAONLYBPULGR-LBPRGKRZSA-N 294.351 0.605 10 10 CCCE C[C@H](c1cc(F)ccc1O)N1CCNC[C@@H]1C(=O)O 94621975 VSZSEHYVSCIUTQ-LDYMZIIASA-N 268.288 0.951 10 10 CCCE CN1[C@H]2CC[C@@H]1CN(S(=O)(=O)Cc1ccc(N)cc1)C2 723913796 ZFDMBVHYBJNVGV-OKILXGFUSA-N 295.408 0.877 10 10 CCCE COc1ccc(N2CC[C@H](CNC(=O)CC(N)=O)C2)cc1 819584933 USNYSVRSXAPYPZ-LLVKDONJSA-N 291.351 0.513 10 10 CCCE NC(=O)[C@H]1CCN(c2cc3c(cc2Cl)[C@H](N)C(=O)N3)C1 723175697 JCEKCLSXXOLFTB-KGFZYKRKSA-N 294.742 0.604 10 10 CCCE CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](O)C(C)(C)O 900027239 RIWZNLKWGYJRCH-ZDUSSCGKSA-N 280.368 0.843 10 10 CCCE CN1CCc2cc(CN3CCO[C@@H]4CNC[C@@H]43)ccc21 686533597 ONCRDLMMCZZIBM-JKSUJKDBSA-N 273.380 0.852 10 10 CCCE C[C@H](CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1)NC(N)=O 847696579 RRFVKKFCKZASIC-RKDXNWHRSA-N 295.339 0.592 10 10 CCCE CS(=O)(=O)C[C@@H](O)CNCc1ccc2c(c1)CCCO2 922822299 FPNPPEKCFXJCKB-ZDUSSCGKSA-N 299.392 0.507 10 10 CCCE C=CC(=O)N(C)CC(=O)N1Cc2cccc(O)c2C1 871205540 GSDCAACAKZNXGA-UHFFFAOYSA-N 260.293 0.879 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@H]1CO 1447274524 LXROICADXBJVML-SNVBAGLBSA-N 251.282 0.624 10 10 CCCE C[C@@H]1CN(CCC(N)=O)c2cc3c(cc2N1)OCCO3 76928720 OQZBAUYHCCINKY-SECBINFHSA-N 277.324 0.954 10 10 CCCE C[C@H]1[C@H](NC(=O)Cc2ccc(O)c(O)c2)CCN1C 1558427602 SZRKLUIKIZPSJT-GXSJLCMTSA-N 264.325 0.849 10 10 CCCE CN[C@@H](C)c1nnc([C@H](N)c2cc(O)ccc2O)o1 83463250 KYQBXXOHICKBCB-QUBYGPBYSA-N 264.285 0.809 10 10 CCCE COc1cc([C@@H](NCCN=[N+]=[N-])C(N)=O)sn1 399221859 VKOBLGZHNXDQOP-SSDOTTSWSA-N 256.291 0.578 10 10 CCCE C[C@@H]1CN(C(=O)c2ccc(O)c(O)c2)C[C@@H]1CO 708615737 ALBOHGJYJMTPRJ-PSASIEDQSA-N 251.282 0.798 10 10 CCCE OCCN[C@@H]1CCCN(Cc2ccc(O)c(O)c2)C1 708626297 GCWFPQNDCUKZLU-GFCCVEGCSA-N 266.341 0.644 10 10 CCCE O=C(N[C@@H]1COCC[C@H]1O)[C@H]1CNc2ccccc2N1 710865898 BBEMGTZEGWZZMJ-JHJVBQTASA-N 277.324 0.159 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1C[C@@H]2C[C@]2(C(=O)O)C1 693170842 KLHLFLCUJIRDLM-MADCSZMMSA-N 264.237 0.040 10 10 CCCE O=C(NC1CN(c2ccncn2)C1)c1cccc(O)c1O 1152385337 PPFJAECUHUFDMU-UHFFFAOYSA-N 286.291 0.506 10 10 CCCE Cn1ccc(CC(=O)NCc2ccc(O)cc2O)n1 1162278482 ITHXJVVOTYTLPK-UHFFFAOYSA-N 261.281 0.690 10 10 CCCE CC(=O)N1CCN(C(=O)COc2ccc(N)cc2)CC1 38055526 SZXOXKGGUSLKNE-UHFFFAOYSA-N 277.324 0.338 10 10 CCCE C[C@H](N)c1ccc(N2CCO[C@H]([C@H](C)O)C2)cc1O 2117530311 MIEUTVPDEJYWGG-BHDSKKPTSA-N 266.341 0.998 10 10 CCCE C[C@H](COC[C@H](O)COc1ccc(N)cc1)N(C)C 2119221528 WJSCYSVJRBIJOZ-YPMHNXCESA-N 268.357 0.975 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CCOC[C@@H]2CF)cc1 2126200655 QTOVUADFRVZVBY-LBPRGKRZSA-N 288.344 0.769 10 10 CCCE CN[C@@H]1CCc2cc(N3C[C@H](O)C[C@@H](O)C3)ccc21 2128294318 KIFURMGGFNVSJJ-UMVBOHGHSA-N 262.353 0.825 10 10 CCCE Cn1nncc1CCNC(=O)c1cccc(O)c1O 2123270399 WEKQJYNYZDTNDM-UHFFFAOYSA-N 262.269 0.199 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)[C@]12CNC[C@H]1C2 1902097159 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CN(C)[C@@H]1COC[C@@H]1NC(=O)Nc1ccc(N)cc1 1921767530 FXUVANLYJJRWAP-NWDGAFQWSA-N 264.329 0.719 10 10 CCCE COCCNC(=O)CN[C@@H](C)c1cc(F)ccc1O 228696766 GWYJRKGLEACTDN-VIFPVBQESA-N 270.304 0.945 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)c1n[nH]cc1F 1566370035 JVRWLHRBZBZKKY-UHFFFAOYSA-N 265.244 0.933 10 10 CCCE COC[C@@H](NC(=O)Cc1ccc(O)c(O)c1)[C@@H]1CCCO1 1635411148 DKNLUMVKAULCTE-RISCZKNCSA-N 295.335 0.951 10 10 CCCE COC[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@H](C)O1 1567731064 HYOGVVDGNYUASV-CMPLNLGQSA-N 295.335 0.903 10 10 CCCE O=C(C[C@H]1CCS(=O)(=O)C1)NCc1ccc(O)c(O)c1 1635960169 ZGAJMILKDJCUJN-SNVBAGLBSA-N 299.348 0.539 10 10 CCCE COc1cc(N2C[C@@H]3OC(=O)N[C@@H]3C2)ccc1CO 2139702034 FYVLFYJNKGUNLP-PWSUYJOCSA-N 264.281 0.485 10 10 CCCE NC(=O)CN(Cc1ccc(N)cc1)CC1CC(O)C1 2140477071 KSMYVQCJIUBUSO-UHFFFAOYSA-N 263.341 0.327 10 10 CCCE COc1ccc(N(C)C[C@H](O)CCN)c(OC)c1 259293014 SVXZNWSXPFQCSQ-SNVBAGLBSA-N 254.330 0.850 10 10 CCCE CN(C)[C@@]1(CO)CCN(c2ccc3c(c2)OCO3)C1 259358902 OVVSHZGFUVSDMI-AWEZNQCLSA-N 264.325 0.918 10 10 CCCE COC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(O)c(O)c1 1298392553 OATLTEUDUMPKJC-JTQLQIEISA-N 279.292 0.804 10 10 CCCE COc1cc(N)c(N2CCO[C@@H](CN)C2)cc1OC 1876335482 OJMAPBWEOKZFAJ-VIFPVBQESA-N 267.329 0.450 10 10 CCCE NC/C=C/CNS(=O)(=O)CCOc1ccc(N)cc1 1876416130 RWNHZEPRJMYTNH-OWOJBTEDSA-N 285.369 0.082 10 10 CCCE C[C@H](NC(=O)[C@H]1CCOC[C@@H]1N)c1ccccc1O 1877579231 VBYJJPAWTZNLPB-DLOVCJGASA-N 264.325 0.933 10 10 CCCE C[C@H](NC(=O)C[C@@H]1COC[C@H]1N)c1ccccc1O 1877586900 CYLZOOPCNHHUDQ-HOSYDEDBSA-N 264.325 0.933 10 10 CCCE C[C@H](NC(=O)c1cc(O)nc(O)c1)[C@H](O)C(F)(F)F 1889473894 CVXOQQCAVDXMOG-NVNXEXLPSA-N 280.202 0.534 10 10 CCCE NC[C@H](C(=O)NCc1ccccc1O)[C@H]1CCOC1 1966878860 SQENAZBLWNBYSH-RYUDHWBXSA-N 264.325 0.620 10 10 CCCE CN(C)CCN(C)c1ccc2c(c1)N(C)C(=O)[C@H]2N 155752284 UXXOGSYZEOWJRF-ZDUSSCGKSA-N 262.357 0.661 10 10 CCCE CCNC(=O)[C@@H]1COCCN1c1ccc(OC)cc1N 159222660 KXCFSYAYBACGOD-ZDUSSCGKSA-N 279.340 0.619 10 10 CCCE CCCS(=O)(=O)N(CC(N)=O)Cc1ccc(N)cc1 35366585 MVFZOLLTZJWOMG-UHFFFAOYSA-N 285.369 0.296 10 10 CCCE COc1cccc(Cn2ccc3c(c2=O)CNCC3)n1 2150795905 RCUVMIPKJXSCTK-UHFFFAOYSA-N 271.320 0.946 10 10 CCCE CN(C)S(=O)(=O)CCN1CCC[C@@H]1CN=[N+]=[N-] 2009446316 WEKGCEDBZBDTAG-SECBINFHSA-N 261.351 0.653 10 10 CCCE NCc1ccc(N(C2CC2)[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1 2155611428 ONBVKIMZKMXJLC-KGLIPLIRSA-N 296.392 0.272 10 10 CCCE CN1C[C@H](O)[C@@H](NC(=O)Nc2ccc(N)cc2)C1 2029866813 LKARZDAVEMBURK-QWRGUYRKSA-N 250.302 0.065 10 10 CCCE C[C@H](c1c(O)cccc1O)N1CC[C@@H](NC(N)=O)C1 700699284 XTGDYOVPTDDTOW-RKDXNWHRSA-N 265.313 0.901 10 10 CCCE Nc1ccc(O)c(CN2CCOC[C@H](CO)C2)c1 2036925438 POYZROVNWZZXEW-JTQLQIEISA-N 252.314 0.415 10 10 CCCE O=S1(=O)CCCN1CCNCc1cccc(F)c1O 405437619 GVJTWEHCHIAALC-UHFFFAOYSA-N 288.344 0.656 10 10 CCCE CS(=O)(=O)C1CCN(C(=O)c2ccc(O)c(O)c2)CC1 313049740 SITCCEYPNQUQFZ-UHFFFAOYSA-N 299.348 0.747 10 10 CCCE COCCN1CCN(Cc2cc(N)ccc2O)CC1=O 2158785663 RTBPLVHQJZKNIY-UHFFFAOYSA-N 279.340 0.265 10 10 CCCE CN1CCC[C@@H](NC(=O)c2ccc(O)c(O)c2)C1=O 703724541 GOWFQPLMNUVFTA-SECBINFHSA-N 264.281 0.448 10 10 CCCE Nc1cc2c(cc1N1C[C@@H](CO)[C@@H](CO)C1)OCCO2 704698449 IWJRYMLMAARBLR-AOOOYVTPSA-N 280.324 0.077 10 10 CCCE C[C@H]1OCC[C@@H]1CN(CC(N)=O)Cc1ccc(N)cc1 2177650663 DWQZGZNHEIHPOL-DGCLKSJQSA-N 277.368 0.981 10 10 CCCE CCN[C@H](C)c1ccc(N2CC[C@](O)(C(N)=O)C2)cc1 380360477 ICQPQBWZXAOMTH-IAQYHMDHSA-N 277.368 0.784 10 10 CCCE C[C@H](NCc1nc(O)n[nH]1)c1c(O)cccc1O 392404642 SPWAEAPMVUPUAK-LURJTMIESA-N 250.258 0.772 10 10 CCCE [N-]=[N+]=NCC1(CNC(=O)Cc2cc(O)nc(O)n2)CC1 2174353024 WWMVDWYQTNVTBQ-UHFFFAOYSA-N 278.272 0.637 10 10 CCCE OCc1cc(F)c(N2CC[C@H](C(CO)CO)C2)c(F)c1 2170642781 MDDHDSJYGLMJML-JTQLQIEISA-N 287.306 0.884 10 10 CCCE Cc1cc(CNC(=O)c2cc(O)c(O)c(O)c2)n(C)n1 2188876064 XIIWHVGDTBHSGK-UHFFFAOYSA-N 277.280 0.775 10 10 CCCE CN1CCc2cc([C@H](N)[C@H](O)[C@@H]3COCCO3)ccc21 2197278697 SFGACPMFSQUKBA-SOUVJXGZSA-N 278.352 0.455 10 10 CCCE COc1cccc(O)c1CN[C@H](C)CS(N)(=O)=O 2042581463 QJIBCRAZIRCREJ-MRVPVSSYSA-N 274.342 0.167 10 10 CCCE CN(C)[C@@H]1COC[C@H]1NCc1c(O)cccc1F 2042601967 KZXQEPGDGNZFFX-VXGBXAGGSA-N 254.305 0.950 10 10 CCCE N[C@@]12CCC[C@@H]1CN(C(=O)c1cc(O)c(O)c(O)c1)C2 2198092990 WCROBOWLNGIXJF-YMTOWFKASA-N 278.308 0.757 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CC[C@H](O)C1 2057723878 RMCZXQDBZXLISQ-UWVGGRQHSA-N 251.282 0.670 10 10 CCCE CO[C@@H]1CNCC[C@@H]1NC(=O)COc1ccc(N)cc1 2191667224 GDMJVDFPKKCDBZ-QWHCGFSZSA-N 279.340 0.141 10 10 CCCE Nc1ccc(OCCS(=O)(=O)N2C[C@@H]3C[C@H](C2)N3)cc1 2191784102 KGRNTMHYFFHWGS-TXEJJXNPSA-N 297.380 0.024 10 10 CCCE COC(=O)[C@@]1(NCCN=[N+]=[N-])CCC(=O)N(C)C1 2068225890 GCBNMBZEKZCZGI-SNVBAGLBSA-N 255.278 0.050 10 10 CCCE N[C@]1(C(=O)NCc2ccccc2O)C[C@H](CO)C1 2073691825 PWWHCUHUJWHVRN-SWZMTVOYSA-N 250.298 0.108 10 10 CCCE C[C@H](Nc1c(O)nc(=O)n(C)c1N)c1ccccc1O 2192631059 DHICDWMXBOHGMZ-ZETCQYMHSA-N 276.296 0.947 10 10 CCCE CNCc1ccc(N2CC[C@H]3C[C@H]2[C@H](O)[C@H]3O)c(F)c1 2199526944 MQEIQJSVLFRMJY-HJPIBITLSA-N 280.343 0.866 10 10 CCCE CC[C@@H](C)[C@@H](CO)NC(=O)c1cc(O)nc(O)c1 2081209407 PJYBGCHRKYJBQD-VXNVDRBHSA-N 254.286 0.630 10 10 CCCE Nc1ccc(CNCCCNS(=O)(=O)C2CC2)cc1 2102346077 FYEZWHIUQFRWRP-UHFFFAOYSA-N 283.397 0.830 10 10 CCCE N[C@@H]1CN(C(=O)c2ccc(O)c(O)c2)C[C@H]1C(F)F 2102478881 FPPXILPJSMAKQM-HTQZYQBOSA-N 272.251 0.762 10 10 CCCE NC(=O)c1coc(CNCc2c(O)cccc2F)n1 2104472534 RNTKYERIOZAOBR-UHFFFAOYSA-N 265.244 0.908 10 10 CCCE COCC[S@](=O)CCNCc1ccc(O)cc1O 2085935573 BKZXROJBFRTTIG-GOSISDBHSA-N 273.354 0.583 10 10 CCCE CN(CC1(O)CC(C(=O)O)C1)c1ccc(CN)cc1 2110182497 FBPDDPHMOLOPNK-UHFFFAOYSA-N 264.325 0.807 10 10 CCCE N[C@H]1COC[C@H]1CCNC(=O)c1ccc(O)c(O)c1 2111328696 NSCYRBFKWYIUAV-ZJUUUORDSA-N 266.297 0.191 10 10 CCCE NC[C@@H]1[C@@H]2CCN(C(=O)c3ccc(O)c(O)c3)C[C@@H]21 2093095570 RYVITSVQYDUFQE-AXFHLTTASA-N 262.309 0.765 10 10 CCCE CC1([C@H](CO)NC(=O)COc2ccc(N)cc2)CC1 2094140728 CATNJTGNQKOIPC-LBPRGKRZSA-N 264.325 0.925 10 10 CCCE NC(=O)[C@@H](NCc1cc2c(cc1O)OCO2)C1CC1 2096494960 KPIGCPBSWUMNMH-LBPRGKRZSA-N 264.281 0.474 10 10 CCCE Nc1ccc(CCC(=O)N2CC[C@@H](C(=O)O)O2)cc1 2097050756 YTFDQQRVYBBJRG-NSHDSACASA-N 264.281 0.819 10 10 CCCE COc1ccc(N2CC[C@@H](C(CO)CO)C2)c(N)c1 2114241051 YQOBRKAUJYSXFN-SNVBAGLBSA-N 266.341 0.705 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N3C[C@@H]4C[C@]4(CO)C3)cc21 2200840883 LGXBHNQUJBNPNN-DYQSUWPFSA-N 273.336 0.481 10 10 CCCE Cc1cc(N2CC(=O)NC(=O)[C@H]2C)ccc1[C@@H](C)N 2269663176 WCFJJGANRHGEMJ-NXEZZACHSA-N 261.325 0.866 10 10 CCCE Oc1cccc(CN[C@@H]2CCC[C@H](O)[C@@H]2O)c1O 2217641067 DEFDOOJLMGOOES-SUZMYJTESA-N 253.298 0.462 10 10 CCCE COc1cc(C(=O)N[C@@H]2CNC[C@H](F)C2)cc(OC)n1 2234651654 QCWOAOVFNAIXJB-ZJUUUORDSA-N 283.303 0.529 10 10 CCCE NCc1ccc(N2CC[C@](O)(CO)[C@@H](O)C2)c(Cl)c1 2225727167 GNJAYCLMWJPYHF-STQMWFEESA-N 286.759 0.093 10 10 CCCE [N-]=[N+]=NC1CCN(C(=O)[C@H]2CC[C@H](C(=O)O)O2)CC1 2225793100 SPATYZUCAGBWOM-RKDXNWHRSA-N 268.273 0.920 10 10 CCCE COc1ccc(N2CCOC[C@@H]2[C@H](O)CO)cc1Cl 2226926811 JSUGCXADVBZQGR-VXGBXAGGSA-N 287.743 0.907 10 10 CCCE COc1ccc(N2CC[C@](O)(C(N)=O)C2)c(F)c1F 2226929753 GPLGJFPEILQLBS-GFCCVEGCSA-N 272.251 0.400 10 10 CCCE COc1ccc(N2CC[C@@H](CC(N)=O)C2)c(CN)c1 2227680155 SPKFVSHIAFRWHY-JTQLQIEISA-N 263.341 0.856 10 10 CCCE COC[C@](C)(CO)N(C)c1ccc(OC)cc1CN 2227671995 DKENWRCVBVQWOH-AWEZNQCLSA-N 268.357 0.988 10 10 CCCE CNC(=O)[C@@H]1CCCN1c1ccc(OC)cc1CO 2227709085 PTUIAYYPJKJQCY-ZDUSSCGKSA-N 264.325 0.902 10 10 CCCE CN[C@@H](C)c1ccc(N2CC(O)(C(=O)OC)C2)cc1C 2285138667 MFQYRJRSAVPOFS-NSHDSACASA-N 278.352 1.000 10 10 CCCE COCCN1C[C@H](N(C)c2ccc(OC)cc2)[C@H](O)C1 2279044457 OVFFIRAOTYKQPZ-LSDHHAIUSA-N 280.368 0.823 10 10 CCCE CCn1c(=O)cc(O)n(CCc2ccc(N)cc2)c1=O 2280554827 FKLLAZFFXILYQL-UHFFFAOYSA-N 275.308 0.560 10 10 CCCE Cc1cc(CN)ccc1N1C[C@@H](O)[C@@H](O)[C@@H]1CF 2311998589 GVJHLTAQWUCWGB-XQQFMLRXSA-N 254.305 0.334 10 10 CCCE CS(=O)(=O)[C@H]1CC[C@](NCCCN=[N+]=[N-])(C(N)=O)C1 2336495423 VNOHRGHNERQVRG-WCBMZHEXSA-N 289.361 0.098 10 10 CCCE CC(=O)c1ccc(O)c(CN2C[C@@H]3C[C@H]2[C@H](O)[C@@H]3O)c1 2354472281 YHHGNZMTWOYZCX-VIRABCJISA-N 277.320 0.521 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Cc1cc(CO)ccc1N1[C@H]2CC[C@@H]1C[C@H](O)[C@H]2O 2331964186 FSCALHLXDZZHIL-UNQGMJICSA-N 263.337 0.950 10 10 CCCE Cc1cc(N2CC[C@@H]3C[C@H]2[C@@H](O)[C@H]3O)ccc1CN 2332598430 DQUDBNTZGPQFJJ-SDJAHQOYSA-N 262.353 0.774 10 10 CCCE O=C1Nc2cc(N3CC[C@@]4(O)C[C@H]4C3)ccc2[C@@H]1O 2334029909 SYCOKYAMNPADJX-ORUWWINDSA-N 260.293 0.633 10 10 CCCE Nc1ccc(CNC(=O)c2nnn3c2CCC3)cc1 2338631424 WRUCMEFGQRMNOH-UHFFFAOYSA-N 257.297 0.737 10 10 CCCE C[C@@]1(C(=O)N2CCc3cc(O)c(O)cc3C2)CCN1 2341202337 KFORPLWSUATOPA-AWEZNQCLSA-N 262.309 0.735 10 10 CCCE Nc1ccc(CCC(=O)NCC(F)(F)CO)cc1 228483583 GPCCXBPWOGNXGN-UHFFFAOYSA-N 258.268 0.945 10 10 CCCE COCC[C@H](CO)NCc1ccc(OC)cc1O 302271659 HJZNOCZYGGAXEH-LLVKDONJSA-N 255.314 0.888 10 10 CCCE CN(C)c1ccc(/C=C\C(=O)N2C[C@H](O)[C@H](O)C2)cc1 211579799 VEPRZCOEYYNUIA-SJOWAIJRSA-N 276.336 0.330 10 10 CCCE COc1ccc(N2CCN(C[C@@H](O)CO)CC2)cc1 49858402 HEXWKZBDUPRVII-CYBMUJFWSA-N 266.341 0.170 10 10 CCCE Cc1cc(CN(CC(N)=O)Cc2ccc(N)cc2)n(C)n1 89186073 YTWIJTOLDWKPHM-UHFFFAOYSA-N 287.367 0.798 10 10 CCCE CCN[C@@H]1C(=O)Nc2cc(N3CCO[C@@H](CO)C3)ccc21 221133729 CLAWZZNWPZFSOK-RISCZKNCSA-N 291.351 0.487 10 10 CCCE CN(C[C@@H]1CCCN1)C(=O)c1cc(O)nc(O)c1 234282566 ODMXKNQBGHVSPK-VIFPVBQESA-N 251.286 0.317 10 10 CCCE COC(=O)[C@H]1CN(C(=O)COc2ccc(N)cc2)C[C@H]1C 95016889 LEVUFUYQARHSSE-MFKMUULPSA-N 292.335 0.915 10 10 CCCE CC[C@@H](NC(=O)c1ccc(O)c(O)c1)C(N)=S 233902249 KHROFOSCRLHCOU-SSDOTTSWSA-N 254.311 0.892 10 10 CCCE Cn1nnnc1SC[C@@H](O)COc1ccc(N)cc1 51328242 QCIUXLWTVBUBEI-VIFPVBQESA-N 281.341 0.324 10 10 CCCE Nc1[nH][nH]c(=O)c1N=Nc1ccc(S(N)(=O)=O)cc1 252629225 UBPDTWKBVCHDJJ-UHFFFAOYSA-N 282.285 0.348 10 10 CCCE C[C@H](N[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O)c1ccc(N(C)C)cc1 2165104221 LFBIRWDSHHSKHT-ZRXSREQCSA-N 280.368 0.258 10 10 CCCE CC(C)(C)[C@H](O)C[C@H](CO)NC(=O)c1cccc(O)c1O 803567611 RZNXOBYJQBMKLE-BXKDBHETSA-N 297.351 0.986 10 10 CCCE CC(=O)C(=O)COC(=O)[C@@H]1CCC(=O)c2cccn21 808545471 CAENGNJALJJXKX-JTQLQIEISA-N 263.249 0.707 10 10 CCCE N[C@H]1CC(C(=O)N2CCCc3ncccc32)=C[C@H]1O 2131477475 OWJUKTVGPZZRDK-GXFFZTMASA-N 259.309 0.379 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@H]2CC23CC(O)C3)cc1 724944347 DMDXMBAFEDUURO-OTTFEQOBSA-N 282.365 0.602 10 10 CCCE CC(=O)NCCN(C)c1ccc2c(c1)N(C)C(=O)[C@@H]2N 723152921 HJEVZLBOBGTZAE-CYBMUJFWSA-N 276.340 0.235 10 10 CCCE COc1ccc(CNC(=O)[C@@H]2CCCN(C)C2=O)c(O)c1 831032533 GIAPRAMTMQSYGS-LBPRGKRZSA-N 292.335 0.885 10 10 CCCE O=C(OC[C@@H]1COCCO1)c1cccc(O)c1O 837647359 AAUWATCIUBTIEI-QMMMGPOBSA-N 254.238 0.670 10 10 CCCE CN=[S@@](C)(=O)CCNC(=O)c1cc(O)cs1 912786114 KYMQHIRLJDCOEE-INIZCTEOSA-N 262.356 0.911 10 10 CCCE COc1cccc(CNC(=O)C[C@@H](C)NC(N)=O)c1O 847589060 DPHJGZLKUJCVRQ-MRVPVSSYSA-N 281.312 0.464 10 10 CCCE NCc1ccc2c(c1)OCCN2CCN1CCOCC1 74338586 MBIYFZWSNFRJIW-UHFFFAOYSA-N 277.368 0.676 10 10 CCCE CC[C@H](C(=O)NCc1cccc(O)c1O)C(=O)OC 1123888371 HZXNWLCYIVZZSD-SECBINFHSA-N 267.281 0.913 10 10 CCCE COC(=O)[C@@]1(O)CCN(Cc2cc(OC)ccc2O)C1 895702968 IFSHTRVPPIACRG-CQSZACIVSA-N 281.308 0.511 10 10 CCCE C[C@]12CNC[C@]1(C)CN(C(=O)c1cc(O)nc(O)c1)C2 707885487 KGGZMWYQTUCINT-ZIAGYGMSSA-N 277.324 0.564 10 10 CCCE CS(=O)(=O)C1(C(=O)NCc2cc(O)ccc2O)CC1 1153886091 VZYAAAYXLYJFJA-UHFFFAOYSA-N 285.321 0.291 10 10 CCCE NC(=O)N=Nc1ccc(C(=O)NCCn2ccnn2)cc1 1163585572 MCOOTBQVLXMTDS-UHFFFAOYSA-N 287.283 0.871 10 10 CCCE C[C@H]1COCC(=O)N1CC(=O)Nc1ccc(N)cc1 2117494753 ROQCNFJUPSDIAJ-VIFPVBQESA-N 263.297 0.455 10 10 CCCE C[C@H]1C[C@H]1N(C)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 2116298643 FUTDYHALSXYMFR-INTQDDNPSA-N 264.325 0.834 10 10 CCCE CN(CCOc1ccc(N)cc1)C[C@@]1(O)CCOC1 2129440024 FRFBITDIVLWKGW-AWEZNQCLSA-N 266.341 0.731 10 10 CCCE Nc1ccc(OCC(=O)NCCC(F)(F)CO)cc1 2128211877 LVZSWXCDCSRTDJ-UHFFFAOYSA-N 274.267 0.782 10 10 CCCE O[C@H]1CCc2cc(N3C[C@@H](O)[C@H]4COC[C@H]43)ccc21 2128328331 MYMDVSGYTAAKQM-LJISPDSOSA-N 261.321 0.862 10 10 CCCE Nc1ccc(NC(=O)N2CCC[C@H]2[C@@H](O)CO)cc1 2123221033 VEJRWMFYYCKOSG-RYUDHWBXSA-N 265.313 0.618 10 10 CCCE NC1C[C@@H]2CN(C(=O)c3cccc(O)c3O)C[C@H]2C1 2128757189 BCMIEVPDSOVXPE-RKDXNWHRSA-N 262.309 0.907 10 10 CCCE CN(C[C@@]1(O)CCOC1)C(=O)Nc1ccc(N)cc1 2129446709 WKCVPDCQIBSPCU-ZDUSSCGKSA-N 265.313 0.884 10 10 CCCE CC1(C)COC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2132347915 ABKGRTODRNFVPR-JTQLQIEISA-N 267.281 0.958 10 10 CCCE CNCc1ccc(N2[C@H]3CC[C@H]2[C@@H](O)[C@@H](O)C3)cc1 2133909961 QSTKYFRVEMGQES-ZQDZILKHSA-N 262.353 0.869 10 10 CCCE COC(=O)[C@]1(NCCCN=[N+]=[N-])C[C@H]2OCC[C@@H]21 1912160891 BRLHINOTVDWIAN-NGZCFLSTSA-N 254.290 0.997 10 10 CCCE Cc1noc(C)c1S(=O)(=O)N1CC(N=[N+]=[N-])C1 1912170383 WJHVNYAYWIVFBW-UHFFFAOYSA-N 257.275 0.975 10 10 CCCE CN(CCN=[N+]=[N-])C(=O)[C@@H]1CCCN(C(N)=O)C1 1912160571 XXKQPSRGBKBZCD-MRVPVSSYSA-N 254.294 0.546 10 10 CCCE CC1(C)C[C@H](C(=O)O)N(C(=O)c2cc(O)nc(O)c2)C1 1912586763 NCMSAKRNFDZDEX-MRVPVSSYSA-N 280.280 0.818 10 10 CCCE O=C(NC[C@@]12CC[C@@H]1CNC2)c1cccc(O)c1O 2136066904 RFVJTRYNJPEUBJ-OTYXRUKQSA-N 262.309 0.827 10 10 CCCE C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1nn(C)cc1O 1456793029 WLKMWTDPSQELCY-MRVPVSSYSA-N 291.307 0.957 10 10 CCCE Cc1ccc(C(=O)N[C@H]2CC[C@@H](O)[C@@H](O)C2)c(O)c1O 1472119181 KYJXDMQINAWZLK-GDPRMGEGSA-N 281.308 0.410 10 10 CCCE NC(=O)C[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1 1629124332 YJXFTIHPWINDHZ-JTQLQIEISA-N 278.308 0.364 10 10 CCCE Cn1c(=O)oc2ccc(C(=O)C(=O)CC(=O)O)cc21 216963172 BQVUCDQMDXGVFS-UHFFFAOYSA-N 263.205 0.358 10 10 CCCE CC(=O)N1CC(NC(=O)c2ccc(O)c(O)c2)C1 1926266278 RCJBLZZCOXUIQU-UHFFFAOYSA-N 250.254 0.058 10 10 CCCE Cc1cnc2nc(C(=O)NCc3cc(O)ccc3O)nn2c1 1643882578 ZKQSNVMGHFBUIY-UHFFFAOYSA-N 299.290 0.774 10 10 CCCE CNC(=O)C[C@@H](C)NC(=O)NCc1ccccc1O 1682613213 JFZHVMIHTJKLNV-SECBINFHSA-N 265.313 0.716 10 10 CCCE C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1)[C@@H](C)C(=O)O 157175883 JCGQNLIZJVRHQJ-MRTMQBJTSA-N 296.323 0.193 10 10 CCCE CN(C)C[C@@H]1COC[C@@H]1NCc1ccc(O)c(O)c1 2141452639 LRDMUFULVKOODD-NEPJUHHUSA-N 266.341 0.764 10 10 CCCE NC(=O)c1cccc(N)c1N[C@H]1C[C@H]2CNC[C@H]1C2 1876501316 AOCFLHJOKNQKCC-SBMIAAHKSA-N 260.341 0.778 10 10 CCCE C[C@@H](CS(N)(=O)=O)NCc1cc(F)ccc1O 1947444391 BCBBUJQZYONCHJ-ZETCQYMHSA-N 262.306 0.298 10 10 CCCE CCNS(=O)(=O)CCNCc1ccc(F)cc1O 1964558515 PMIZOQKSTOONSB-UHFFFAOYSA-N 276.333 0.560 10 10 CCCE CC1(C)OCCO[C@H]1[C@H](NCCCN=[N+]=[N-])C(N)=O 1889141418 NCFBJXJKLOHWQP-IUCAKERBSA-N 271.321 0.324 10 10 CCCE NC(=O)C(F)(F)CNC(=O)[C@H]1CNc2ccccc2N1 2145982810 SCHVRQGLZXNEIQ-SECBINFHSA-N 284.266 0.129 10 10 CCCE O=S(=O)(C[C@H]1CCN1)NCc1ccccc1O 257919067 JAGTUDZKHUUAFA-SNVBAGLBSA-N 256.327 0.174 10 10 CCCE CN[C@H](c1nncn1C)[C@H](O)c1ccc(N(C)C)cc1 2147860088 XEAAYBOKUAKITK-QWHCGFSZSA-N 275.356 0.875 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)[C@@]12C[C@@H]1CCCN2 2148020729 ORPUSSPSIXZWDG-XHDPSFHLSA-N 276.336 0.899 10 10 CCCE COCCN(CCO)c1ccc2c(c1)NC(=O)[C@H]2N 164359106 JFOJLROZSAGIQV-LBPRGKRZSA-N 265.313 0.084 10 10 CCCE C[C@@]1(O)CON(C(=O)CCc2ccc(N)cc2)C1 2032464615 VKKXULXCYRTDQX-ZDUSSCGKSA-N 250.298 0.726 10 10 CCCE CN(C)C(=O)NCCCNC(=O)c1cccc(O)c1O 2157496183 ZYODIOMDJBHTPU-UHFFFAOYSA-N 281.312 0.489 10 10 CCCE O=C(NCc1ccccc1O)[C@]1(CO)CCCN1 2049589188 PTWZHSXYEQTSHB-CYBMUJFWSA-N 250.298 0.123 10 10 CCCE O=C(O)[C@@H]1C[C@H](O)CN(C(=O)c2ccc(O)c(O)c2)C1 401947468 JVMMIQOXEDYMSX-BDAKNGLRSA-N 281.264 0.005 10 10 CCCE CN(Cc1ncon1)c1ccc2c(c1)N(C)C(=O)[C@@H]2O 2160443671 AEUCFSARVNVUQB-GFCCVEGCSA-N 274.280 0.716 10 10 CCCE CN1CC[C@@H](OC(=O)[C@H](N)Cc2ccc(O)c(O)c2)C1 313011446 WJRUWGHCXYXYSH-GHMZBOCLSA-N 280.324 0.215 10 10 CCCE Nc1ccc(NC(=O)NCCNS(=O)(=O)C2CC2)cc1 2158553590 LWXKLCZVYBCBMB-UHFFFAOYSA-N 298.368 0.472 10 10 CCCE CN1CC[C@](C)(NS(=O)(=O)Cc2ccc(N)cc2)C1 716250464 IVGQODLIHDJSMK-ZDUSSCGKSA-N 283.397 0.782 10 10 CCCE C[C@H](NCc1cc(=O)n(C)[nH]1)c1ccc(O)cc1O 391430079 KOAMBVLAWJXVGJ-QMMMGPOBSA-N 263.297 0.975 10 10 CCCE COc1ccc(N2CC[C@H](O)[C@@H](CO)C2)c([N+](=O)[O-])c1 396893404 WQYMIYMHWWWZGQ-RNCFNFMXSA-N 282.296 0.783 10 10 CCCE COC[C@@H](C)S(=O)(=O)NCc1cc(N)ccc1O 399609310 GVHGBJZRZOKCBU-MRVPVSSYSA-N 274.342 0.429 10 10 CCCE COC[C@H](C)NC(=O)c1cnn2c(O)cc(C)nc12 2062423433 OVECVJDTOJUMSS-QMMMGPOBSA-N 264.285 0.508 10 10 CCCE Cc1cc(O)n2ncc(C(=O)N3C[C@H](F)[C@H](F)C3)c2n1 2064783651 MZFJWQJTPQTUHD-DTORHVGOSA-N 282.250 0.875 10 10 CCCE CO[C@H]1CN(C(=O)Cc2ccc(N)cc2)[C@@](C)(CN)C1 864276290 GDGNVGRIOSBPPR-UKRRQHHQSA-N 277.368 0.776 10 10 CCCE C[C@]1(CO)COCCN1CC(=O)c1ccc(O)c(O)c1 2169050077 YVZVZHAKMXAFQW-AWEZNQCLSA-N 281.308 0.364 10 10 CCCE COc1ccc(O)c(CN[C@H]2CCN(CC(=O)O)C2)c1 2169329681 CFABTHWROUHHIG-NSHDSACASA-N 280.324 0.649 10 10 CCCE CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](O)[C@@H](C)N 2176968904 FEHOXMXGHOVSFI-RISCZKNCSA-N 279.384 0.809 10 10 CCCE Cc1cn(C2=C(O)[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(O)nc1=N 2086896747 AVORESAHUDNUFA-PHDIDXHHSA-N 280.244 0.131 10 10 CCCE NC(=O)C[C@H]1CCCCN1C(=O)c1ccc(O)c(O)c1 2183265736 NYEXDOQINOOHCT-SNVBAGLBSA-N 278.308 0.968 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@H]3C[C@@H](O)C[C@H]3C2)cc1 2185091900 PFQJYBLNBOFPTH-DABQJJPHSA-N 296.392 0.801 10 10 CCCE C[C@@H]1CN(S(=O)(=O)CCOc2ccc(N)cc2)C[C@@H]1N 2191540565 MPQVGXCHSYLIIJ-MFKMUULPSA-N 299.396 0.256 10 10 CCCE Nc1ccc(OCCC(=O)N=[S@@]2(=O)CC[C@H](N)C2)cc1 2191677982 GCRPOILPBBAHGC-PRWKNARSSA-N 297.380 0.763 10 10 CCCE CN(CCCN=[N+]=[N-])C[C@H](O)CN1CCCC1=O 2050538446 MYOIHTHPPNNZLS-JTQLQIEISA-N 255.322 0.602 10 10 CCCE C[C@H](O)CN1CCN(c2ccc(CO)cc2)CC1 2050841042 CEHWLYJBBMSRND-LBPRGKRZSA-N 250.342 0.682 10 10 CCCE Nc1ccc(OCC(=O)NC[C@H]2CC(F)(F)CN2)cc1 2191758091 OLABCOOURNCKOU-SNVBAGLBSA-N 285.294 0.761 10 10 CCCE Nc1ccc(-n2ccc(C(=O)N3CC=CCN3)n2)cc1 2191715431 ZHVXBJSQQYNWKT-UHFFFAOYSA-N 269.308 0.971 10 10 CCCE Nc1ccc(OCC(=O)N[C@H]2C[C@H]3CN[C@@H](C3)C2)cc1 2191745259 GPVMUMRSNFMBGX-DRZSPHRISA-N 275.352 0.904 10 10 CCCE CCNC(=O)[C@@H]1CNCCN1CCCCN=[N+]=[N-] 2054256819 BLBVRYPVKWKOHR-JTQLQIEISA-N 254.338 0.487 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3[C@H]4C[C@@H]3CN(C)C4)ccc21 2187623993 UOYIOPHQXMFXEK-WDMOLILDSA-N 272.352 0.792 10 10 CCCE CN1C[C@@H](Nc2c(N)cccc2C(N)=O)CCCC1=O 2188503685 KTQAYDJNNVEUHS-VIFPVBQESA-N 276.340 0.791 10 10 CCCE CN[C@H](C)c1ccc(N2C[C@@H]3[C@H](C(N)=O)[C@@H]3C2)cc1O 2201283043 CPCVPSJGLOFLOG-PKINLEFWSA-N 275.352 0.840 10 10 CCCE O=S(=O)(NCc1ccccc1O)N1CCC[C@H]1CO 2105595211 PNSWJBZUVQSSRP-NSHDSACASA-N 286.353 0.183 10 10 CCCE Cn1nnc([C@@H](O)c2ccc(N3CCCC3)cc2)n1 2106826079 PXQXGTLGWORKSP-LBPRGKRZSA-N 259.313 0.892 10 10 CCCE C[C@@H](c1ccccc1O)N(C)C(=O)COC1CNC1 2088544116 YDMJTFYQVFDUHD-JTQLQIEISA-N 264.325 0.900 10 10 CCCE NC[C@@H]1C[C@H](NC(=O)c2cccc(O)c2O)[C@@H]2C[C@@H]12 2110580230 QLJUPYAPPDLZCH-BBHBSTQDSA-N 262.309 0.811 10 10 CCCE Nc1ccc(CS(=O)(=O)NCc2cncc(N)c2)cc1 2201551710 HFDADRUWYSZPDI-UHFFFAOYSA-N 292.364 0.866 10 10 CCCE COc1cc(N2CC[C@](C)(O)[C@@](C)(O)C2)ccc1CN 2204560038 XSCJJMIQHXQYCE-GJZGRUSLSA-N 280.368 0.866 10 10 CCCE CNCc1ccc(N2CC(=O)N[C@H]3CC[C@@H]32)cc1OC 2204553979 OHUBPBPBBAOXQE-STQMWFEESA-N 275.352 0.882 10 10 CCCE CC1(OC(=O)[C@@H](N)Cc2ccc(O)c(O)c2)COC1 2272888148 AODDAQPQNAUXHF-VIFPVBQESA-N 267.281 0.300 10 10 CCCE COc1ccc(N2C[C@H](OC)[C@@H](OC)[C@@H]2CO)c(N)c1 2233349722 AOYBCZCCLLRQMZ-IHRRRGAJSA-N 282.340 0.488 10 10 CCCE NCCCn1cnc(C(=O)C(=O)C[C@H]2C[C@H](N)C2)c1 2225172040 SIQDADHDXMWXRF-MGCOHNPYSA-N 264.329 0.111 10 10 CCCE CC[C@H]1C(=O)NCCN1c1ccc(OC)cc1CO 2227708578 KAZWEBUKLDEFFR-LBPRGKRZSA-N 264.325 0.902 10 10 CCCE COc1ccc(N2CCN(C)C[C@@H]2CO)c(CO)c1 2227708588 KEYDAAXZXBYQHV-GFCCVEGCSA-N 266.341 0.300 10 10 CCCE COc1cc(N2CCNCCNCC2)ccc1CN 2227922171 RKAGVFCRYMJHOJ-UHFFFAOYSA-N 264.373 0.153 10 10 CCCE COc1cccc(CNCc2noc(C(N)=O)n2)c1O 2285847362 ZXUBZMYXKYBUQO-UHFFFAOYSA-N 278.268 0.173 10 10 CCCE NC[C@@]12C[C@@H]1CN(c1cc3c(cc1N)NC(=O)CC3)C2 2288266583 MCCZJGIRRCSQAL-MEBBXXQBSA-N 272.352 0.939 10 10 CCCE C[C@@H](NC[C@@H]1COC[C@@H]1O)c1cc(O)ccc1O 2308382218 SDIHVDHZWNHWNQ-KKFJDGPESA-N 253.298 0.756 10 10 CCCE Oc1cc2c(cc1O)CN([C@@H]1CNCCOC1)CC2 2341217202 WDROMMOLUPBSLN-GFCCVEGCSA-N 264.325 0.444 10 10 CCCE CNCc1ccc(N2CCNC(=O)[C@@H]2C)c(F)c1 104130586 WBQDNHFDWAAGSF-VIFPVBQESA-N 251.305 0.870 10 10 CCCE CN(C(=O)CN1C[C@H]2[C@@H](O)CC[C@H]2C1)c1ccc(N)cc1 123230035 GABKYUPNXCVQIL-GLQYFDAESA-N 289.379 0.934 10 10 CCCE Nc1cc2c(cc1N1CCN(CCO)CC1)CCC(=O)N2 35609574 LESGAGWCMDUYGV-UHFFFAOYSA-N 290.367 0.268 10 10 CCCE CN1C[C@@H](Nc2c(N)cccc2C(=O)O)CCC1=O 130426414 GMQQBBCZIQDVID-QMMMGPOBSA-N 263.297 1.000 10 10 CCCE CNC(=O)[C@@H](C)NCc1ccc(N2CCOCC2)cc1 48416655 KZDHJQWGWNWWHW-GFCCVEGCSA-N 277.368 0.747 10 10 CCCE C[C@H](N)c1ccc(N2C[C@H](O)[C@@H](O)C2)c(Cl)c1 235515122 DBZDPDXLQVJCMG-QILRFPOHSA-N 256.733 0.902 10 10 CCCE C[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCCCNC=O 96785346 LOMKNDYGBSFRHF-JTQLQIEISA-N 280.324 0.529 10 10 CCCE N[C@H](CO)c1c(Br)cc(O)c(O)c1F 258397440 AVGDJLWSNCCYME-SCSAIBSYSA-N 266.066 0.992 10 10 CCCE CNC(=O)c1cncc(/C=C\C(=O)OCC(=O)C(C)=O)c1 808517367 YYGIOJZSRUQZHS-ARJAWSKDSA-N 290.275 0.156 10 10 CCCE CC[C@@H]1SC[C@H](C(=O)O)N1C(=O)c1cc(O)nc(O)c1 111417276 MDAWEIXWTYEDME-XCBNKYQSSA-N 298.320 0.871 10 10 CCCE CCOc1cccc(CNC[C@@](O)(CO)COC)c1O 2158616997 BUZNBVSQVPDTTK-CQSZACIVSA-N 285.340 0.250 10 10 CCCE CCOC(=O)c1cccc(N)c1N[C@@H](CO)CCCO 2164996370 PHPBHSCNFOOUJU-SNVBAGLBSA-N 282.340 0.991 10 10 CCCE COC[C@@]1([C@@H](O)c2ccc(N(C)C)cc2)CNCCO1 2163071709 QRAQXIYIRVGWPU-LSDHHAIUSA-N 280.368 0.791 10 10 CCCE Nc1ccc(OCC(=O)N[C@@H]2C[C@H](CO)[C@@H]3C[C@@H]23)cc1 2166867295 UBJJVTAQMQZPHH-GJQVQUKXSA-N 276.336 0.781 10 10 CCCE COc1cc(C(=O)N[C@H]2C[C@@](F)(CN)C2)cc(OC)n1 2166932818 FWMPJAZBNQZQTG-GMZHKTEUSA-N 283.303 0.658 10 10 CCCE N=[N+]=C(C(=O)O)C(=O)CCc1ccc([N+](=O)[O-])cc1 585663141 JJHQUCSXEDCUDY-UHFFFAOYSA-O 264.217 0.861 10 10 CCCE CO[C@H](C(=O)NCCc1ccc(O)c(O)c1)[C@@H]1CCOC1 830531990 QGIHKHOYQZGJIT-RISCZKNCSA-N 295.335 0.808 10 10 CCCE COc1ccc(CNC(=O)[C@@H](N)C(F)(F)F)c(O)c1 832178060 LYVSSYRMIAINEA-SECBINFHSA-N 278.230 0.907 10 10 CCCE Cc1cc(O)c(CN(C)CC(=O)N2CCNCC2)cc1C 843047639 ZDPXEXSUSFNLBQ-UHFFFAOYSA-N 291.395 0.873 10 10 CCCE O=C1Nc2cc(N3[C@@H]4COC[C@H]3C4)c(F)cc2[C@H]1O 1899634610 JDRMWRYQUULJDZ-KEHGIVTQSA-N 264.256 0.789 10 10 CCCE CC[C@H](NC[C@H](O)CS(C)(=O)=O)c1ccccc1O 927022239 DWYFOKTXSIJLED-JQWIXIFHSA-N 287.381 0.838 10 10 CCCE C[C@@]1(C(=O)NCc2c(O)cccc2F)CCNC1=O 928711715 OJPWEFQVFAVFHU-CYBMUJFWSA-N 266.272 0.674 10 10 CCCE CC(=O)C(=O)COC(=O)C[C@H]1C(=O)Nc2c(F)cccc21 924308001 VITLZQVFBUNHPI-SECBINFHSA-N 293.250 0.953 10 10 CCCE CC(C)S(=O)(=O)c1nnn(Cc2ccc(N)cc2)c1N 62430775 WLPPJPXXHULWEM-UHFFFAOYSA-N 295.368 0.673 10 10 CCCE N[C@H](c1nnc(-c2nc[nH]n2)o1)c1cc(O)ccc1O 83539920 IJYVRWCEPYTGKF-QMMMGPOBSA-N 274.240 0.314 10 10 CCCE NCc1ccc(N2CCOC[C@H]2CO)cc1Cl 167965388 ZPXWDDIEJLKVRA-LLVKDONJSA-N 256.733 0.996 10 10 CCCE CN(c1ccc(CN)cc1Cl)[C@H]1COC[C@@H]1O 709418290 BQFXHSKDXGKBNH-RYUDHWBXSA-N 256.733 0.995 10 10 CCCE NC(=O)CC1CC(NC(=O)c2cccc(O)c2O)C1 718549800 HJAAMNYVMLZYDT-UHFFFAOYSA-N 264.281 0.482 10 10 CCCE O=C1Nc2cc(N3CCO[C@@H]4C[C@H]43)c(F)cc2[C@@H]1O 2115219953 MFWBDVSWMRPGIP-UTUOFQBUSA-N 264.256 0.789 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)[C@H]2[C@@H]3CS(=O)(=O)C[C@@H]32)C1 2117935990 LGUHBWNVSDKVHV-AXTSPUMRSA-N 284.341 0.436 10 10 CCCE Nc1ccc(OCC(=O)N2C[C@@H](F)[C@@H](CO)C2)cc1 2120628767 QJTKVYQIOLFYCW-BXKDBHETSA-N 268.288 0.436 10 10 CCCE C[C@H](c1ccc(O)cc1O)N1CC[C@@H](N)[C@@H](CO)C1 2122391814 MODWYEZAQPYLFC-GIPNMCIBSA-N 266.341 0.800 10 10 CCCE COC(=O)[C@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1 1631310890 KKRIOOKCENDGCP-JTQLQIEISA-N 279.292 0.662 10 10 CCCE NC[C@]12C[C@H]1CC[C@H]2NC(=O)c1cccc(O)c1O 2132141903 QPDMPXHWZRARPK-XPLICSAQSA-N 262.309 0.955 10 10 CCCE Nc1c[nH]ccc1=NC(=O)c1cc(O)c(O)c(O)c1 2132409085 BXCJXFHSTDPVCS-UHFFFAOYSA-N 261.237 0.455 10 10 CCCE O=S(=O)(Nc1ccc(O)cc1Cl)N1CC[C@H](O)C1 1914132110 KTNULEXWHLXYOI-QMMMGPOBSA-N 292.744 0.769 10 10 CCCE [N-]=[N+]=NCCN[C@@]1(C(=O)O)CCO[C@@]12CCOC2 1912153753 DLQXNOPTZHUSEH-NXEZZACHSA-N 256.262 0.289 10 10 CCCE Cn1nncc1S(=O)(=O)N1CCCC[C@@H](CN=[N+]=[N-])C1 1912161748 MYCDXVUZOKRKOQ-VIFPVBQESA-N 299.360 0.916 10 10 CCCE [N-]=[N+]=NCCCN[C@@]1(C(N)=O)C[C@H]2CCCCN2C1 1912193319 NHBFPWKAVAHKKR-PWSUYJOCSA-N 266.349 0.759 10 10 CCCE Cn1nccc1S(=O)(=O)N1CC[C@@H](CN=[N+]=[N-])C1 1912147723 LHJUEGQAWXQKNJ-QMMMGPOBSA-N 270.318 0.741 10 10 CCCE C[C@@H](CNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1)C(F)F 1922249993 MDBHHTOGPPDJTI-CBAPKCEASA-N 288.294 0.985 10 10 CCCE O=C(NCc1cc(O)ccc1O)C1CN([C@H]2CCOC2)C1 1558175326 LZOCDSSEZNSZMA-LBPRGKRZSA-N 292.335 0.435 10 10 CCCE O=C(N[C@H](CO)C[C@@H]1CCCO1)c1ccc(O)c(O)c1 1926791736 NIZJROZFSVHPJE-QWRGUYRKSA-N 281.308 0.758 10 10 CCCE CNC(=O)[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1 1639524787 WQIPPAJNUQNMNJ-SNVBAGLBSA-N 278.308 0.235 10 10 CCCE COc1ccc(O)c([C@@H](C)NC(=O)C2(O)COC2)c1 1631543235 RCVBHVYWNRNICN-MRVPVSSYSA-N 267.281 0.339 10 10 CCCE C[C@@](O)(CO)[C@H]1CCN(CCc2ccc(N)cc2)C1 2138104057 QQTLGHRKIIIVIE-DZGCQCFKSA-N 264.369 0.877 10 10 CCCE Nc1cc(NS(=O)(=O)NC2CCC2)ccc1O 2214988424 GXBOCKVRRLTTQN-UHFFFAOYSA-N 257.315 0.773 10 10 CCCE COc1cc(N2CC(=O)N(C)[C@H](C)C2)ccc1CN 2139700698 MZBWBSMCYWUKCM-SNVBAGLBSA-N 263.341 0.821 10 10 CCCE CCO[C@@H]1C[C@@H](N)[C@@H]1NC(=O)c1cccc(O)c1O 126699314 GTTCWUKAMHGREC-IEBDPFPHSA-N 266.297 0.332 10 10 CCCE CN(C(=O)COc1ccc(N)cc1)[C@@H](CN)C1CC1 1876454731 XAZDJGLRYNXUQF-ZDUSSCGKSA-N 263.341 0.843 10 10 CCCE C[C@@H]1CN(c2cc3c(cc2N)OCC(=O)N3)CCO1 35452647 DMJMLZVITDKCHX-MRVPVSSYSA-N 263.297 0.825 10 10 CCCE CC(=O)C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)[C@H]2C[C@H]21 1881983656 FXUYUHDKKNRANM-BFVZDQMLSA-N 283.324 0.905 10 10 CCCE Nc1ccc(CCNC(=O)[C@@H]2CO[C@H]3COC[C@H]23)cc1 1966886498 HZLIEQHGOGMERK-MCIONIFRSA-N 276.336 0.589 10 10 CCCE C[C@H](O)c1ccc(N2CC[C@@H](OCC(N)=O)C2)c(F)c1 2145371123 KKIYVLHUJBSVKW-GXSJLCMTSA-N 282.315 0.960 10 10 CCCE COc1cc(N(CCN)CCN)c([N+](=O)[O-])cc1OC 2152186149 GCOXNWCIURPLGI-UHFFFAOYSA-N 284.316 0.336 10 10 CCCE NN[C@@H](COC[C@@H]1CCOC1)c1ccccc1O 2029551266 VJUANPRJQSJHRI-PWSUYJOCSA-N 252.314 0.950 10 10 CCCE COc1ccc(CN[C@H]2COC[C@H]2CO)c(O)c1 2029844324 MDUNIBOOFLQPOI-PWSUYJOCSA-N 253.298 0.498 10 10 CCCE C[C@H](N[C@@H]1CN(C)C[C@H]1O)c1cc(F)ccc1O 2029869669 HLDXMIGCJQAVNY-RLCGTCKNSA-N 254.305 0.857 10 10 CCCE COc1ccc(O)c(CN[C@@H]2CN(C)C[C@H]2O)c1 2029865843 DQJGBYSSOODHLJ-DGCLKSJQSA-N 252.314 0.165 10 10 CCCE O=C(Nc1nccc(F)n1)c1cc(O)nc(O)c1 2031844356 JGXWVRUXNPMNNC-UHFFFAOYSA-N 250.189 0.674 10 10 CCCE COc1ccc(N2C[C@@H]3OCCO[C@@H]3C2)c(N)c1 2032408390 LPHWCYROYDOXMI-BETUJISGSA-N 250.298 0.881 10 10 CCCE Nc1ccc(NC(=O)N2CC[C@@H]3C(=O)NC[C@@H]3C2)cc1 2157179964 QGWHUHCZQDZJHU-SKDRFNHKSA-N 274.324 0.869 10 10 CCCE O=C(CN1CCC[C@@](O)(CO)C1)c1ccc(O)c(O)c1 313684940 RUGBTWFGJNRYSJ-AWEZNQCLSA-N 281.308 0.100 10 10 CCCE Nc1ccc(OC[C@H](O)CN2CC[C@@H]3C[C@@]3(O)C2)cc1 2171005805 TUSDERJEOUHOTR-UXIGCNINSA-N 278.352 0.465 10 10 CCCE CO[C@](C)(CO)CNCc1cc2c(cc1O)OCO2 702527110 GCAVUSDOCBZKIQ-ZDUSSCGKSA-N 269.297 0.608 10 10 CCCE CN(Cc1ccc(N)cc1)C(=O)[C@H]1OCC[C@H]1C(=O)O 2162715370 OIZOUEXRJYTOCI-NEPJUHHUSA-N 278.308 0.717 10 10 CCCE CN(c1c(F)cc(CN)cc1F)[C@H]1COC[C@@H]1O 709420084 HEMNZJNZAZSDBQ-QWRGUYRKSA-N 258.268 0.619 10 10 CCCE Cc1nc(CCNCc2ccc(O)c(O)c2O)n[nH]1 392417468 LLOMKAOCWMKZIN-UHFFFAOYSA-N 264.285 0.562 10 10 CCCE COc1cccc(CNC[C@H](C)S(N)(=O)=O)c1O 398272173 BMKNHEGOPLLYDT-QMMMGPOBSA-N 274.342 0.167 10 10 CCCE Nc1ccc(OCCN2CCOC[C@H](O)C2)cc1 399972433 RPFNEZDTZCEEDM-GFCCVEGCSA-N 252.314 0.341 10 10 CCCE O=C(O)[C@@H]1C[C@H]2CN(C(=O)c3ccc(O)c(O)c3)C[C@H]21 2174295886 DTBHMBKAYAJKKN-IVZWLZJFSA-N 277.276 0.891 10 10 CCCE Oc1cccc(CNC[C@@H]2C[C@H]3C[C@H]2[C@@H](O)[C@H]3O)c1O 2174416133 IYSLSOUAZQCGHL-VOAKKNSGSA-N 279.336 0.565 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CC(=O)N[C@H]4CC[C@H]43)ccc21 2168350818 KEZBIEXQCWDXPA-NDMJEZRESA-N 272.308 0.106 10 10 CCCE CC[C@]1(CO)COCCN1C(=O)c1ccc(O)c(O)c1 2169066541 NWKLVCQPTQBURJ-AWEZNQCLSA-N 281.308 0.711 10 10 CCCE C[C@H](c1ccccc1O)N1CC[C@]2(C1)NC(=O)NC2=O 2170617169 LALLFYSISQYDGV-YMTOWFKASA-N 275.308 0.737 10 10 CCCE C[C@H](NC(=O)c1cccc(O)c1O)c1nnc(CO)s1 2192601087 ULLYYEXQGVZYGD-LURJTMIESA-N 295.320 0.933 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CCC[C@@]12CCCNC2 2182052252 YGZSRURDPHKDLW-CQSZACIVSA-N 277.324 0.851 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CCOC[C@@H]1C(F)F 2188912902 NTQHUUFXDZEXRG-SSDOTTSWSA-N 289.234 0.910 10 10 CCCE [N-]=[N+]=NCCN[C@H](C(N)=O)C1([C@@H]2CCCO2)CC1 2045906139 WCFHLFHIENARSS-DTWKUNHWSA-N 253.306 0.699 10 10 CCCE Nc1cccc(C(=O)O)c1N[C@@H]1COC[C@@H]1CO 2046435330 DYSWYSUPPUOOPM-OIBJUYFYSA-N 252.270 0.386 10 10 CCCE [N-]=[N+]=N[C@H]1CCN(CCCN2C(=O)CCC2=O)C1 2050510797 NAJDRAWLFMZPNH-VIFPVBQESA-N 251.290 0.910 10 10 CCCE N[C@@H](C(=O)C(=O)C[C@H]1C[C@H](N)C1)[C@H]1C[C@@H]2C[C@@H]2C1 2052132815 WDDHDSPRCXXBTN-GIJXOTHNSA-N 250.342 0.625 10 10 CCCE CCC1(CNC(=O)c2cc(O)nc(O)c2)CNC1 2057845177 XEWHMEVCGLQTAC-UHFFFAOYSA-N 251.286 0.222 10 10 CCCE Nc1ccc(OCCS(=O)(=O)N2CCN[C@H]3C[C@H]32)cc1 2191782659 VRBJSYAZQQIQGQ-QWHCGFSZSA-N 297.380 0.024 10 10 CCCE COc1ccc(N2CCNC[C@@H]2CO)c(F)c1F 2081856613 JNMPOZJMKWBOHZ-MRVPVSSYSA-N 258.268 0.744 10 10 CCCE N=c1nc(Cl)[nH]c(=NCCOc2ccc(N)cc2)[nH]1 2106068134 MDVAPMFPRUYTCN-UHFFFAOYSA-N 280.719 0.433 10 10 CCCE NC[C@]1(F)C[C@@H](CNC(=O)c2ccc(O)c(O)c2)C1 2111928378 CQWHQKOXMDDCAT-KTLJEJPDSA-N 268.288 0.905 10 10 CCCE O=c1c2c(ccn1CCCN1CCCC1)CCNC2 2094408049 WZMYYEBWCRVONK-UHFFFAOYSA-N 261.369 0.980 10 10 CCCE COCC1(O)CCN(Cc2cc(N)ccc2O)CC1 2095527435 XWTOHNCELWBTLB-UHFFFAOYSA-N 266.341 0.948 10 10 CCCE COc1ccc(N(C)[C@](C)(CN)CS(C)(=O)=O)cc1 2114021320 SBTISXKMCQCHQH-CYBMUJFWSA-N 286.397 0.893 10 10 CCCE [N-]=[N+]=N[C@H]1CCC[C@@H]1NS(=O)(=O)c1cn[nH]c1 2213592254 RVDNSMAAUFTOKT-YUMQZZPRSA-N 256.291 0.919 10 10 CCCE COC(=O)[C@H](C)S(=O)(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-] 2218744530 YUKHPRXTBJFRPF-BIIVOSGPSA-N 276.318 0.699 10 10 CCCE C[C@H](O)c1ccc(N2CC[C@](O)(CO)[C@H](O)C2)cc1 2225726897 MBEFPSMGKJPWIM-GDLCADMTSA-N 267.325 0.034 10 10 CCCE OCc1ccc(N2CC[C@](O)(CO)[C@@H](O)C2)cc1Cl 2225727481 OMHMFNPQOXAWIX-STQMWFEESA-N 287.743 0.127 10 10 CCCE C[C@]1(O)CN(c2ccc3c(c2)OCCO3)CC[C@@H]1O 2226782032 UTOPRELTGATTKZ-KBPBESRZSA-N 265.309 0.780 10 10 CCCE OC[C@@H](O)[C@H]1COCCN1c1ccc2c(c1)CCC2 2226755496 UGVNFRFBYLZCIZ-HUUCEWRRSA-N 263.337 0.734 10 10 CCCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 2256343406 DOJVJISOBZTNOS-HLTSFMKQSA-N 251.290 0.799 10 10 CCCE CSc1ncc(CNC(=O)[C@H]2CNC[C@@H](O)C2)s1 2256948973 OKCALBBKIMSYEQ-SFYZADRCSA-N 287.410 0.452 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CC[C@@]2(O)C[C@@H]2C1 2265182987 CCQVMYZEYOWVPS-AMIZOPFISA-N 265.265 0.400 10 10 CCCE C[C@@H]1OC2(C(=O)N(C)Cc3ccccc3O)CC1(N)C2 2280782154 NJLVAVXVGODQRJ-ISAOAKOHSA-N 276.336 0.999 10 10 CCCE NCCCN(CCO)C(=O)CCOc1ccc(N)cc1 2281139278 ABKOQAFFDOZZFB-UHFFFAOYSA-N 281.356 0.207 10 10 CCCE CN(Cc1ccccc1O)C(=O)C1CN(C2CNC2)C1 2284235759 DWGWSPROCWPDFO-UHFFFAOYSA-N 275.352 0.254 10 10 CCCE Cc1cc(N2CCC[C@@](O)(C(N)=O)C2)ccc1[C@H](C)N 2285146669 RXLRTLOGVLRENX-NHYWBVRUSA-N 277.368 0.831 10 10 CCCE CNC[C@@]1(O)CCCN(Cc2cc(OC)ccc2O)C1 2286344909 KILYSNFGPVPJCC-HNNXBMFYSA-N 280.368 0.947 10 10 CCCE [N-]=[N+]=NCCN[C@@]1(C(=O)O)C[C@H]2[C@@H]3CC[C@@H](O3)[C@H]21 2310677321 KFDWAZXUFAANQY-UBVHSMIISA-N 252.274 0.907 10 10 CCCE OCc1cc(F)c(N2C[C@@H]3C[C@H]2[C@H](O)[C@H]3O)c(F)c1 2329324573 UATFJHBKQGOGIY-QNWTXNENSA-N 271.263 0.387 10 10 CCCE CN[C@H](C)CC(=O)N1CCc2cc(O)c(O)cc2C1 2341201593 DNGIUHXEYQPPTC-SECBINFHSA-N 264.325 0.981 10 10 CCCE C[C@H]1COCCN1C(=O)COc1ccc(N)cc1 40303901 CRZRRXXAOXWHFF-JTQLQIEISA-N 250.298 0.895 10 10 CCCE C[C@]1(CNC(=O)c2ccc(O)c(O)c2)CCNC1 384705243 RIYNCKLFYMJODT-ZDUSSCGKSA-N 250.298 0.827 10 10 CCCE CC(=O)N(c1ccc(N)cc1)S(=O)(=O)N(C)C 243405209 MPJHMEQSPMQSQZ-UHFFFAOYSA-N 257.315 0.428 10 10 CCCE COc1cc2c(cc1OC)N(C)C[C@H](C(=O)O)NC2=O 527431824 AQNAZLFSQOHRNU-MRVPVSSYSA-N 280.280 0.337 10 10 CCCE C[C@@H](NC(N)=O)C(=O)N(C)Cc1ccccc1O 299255221 FLYKWSQNSKWCNE-MRVPVSSYSA-N 251.286 0.407 10 10 CCCE Oc1ccc(CN[C@@H]2C[C@H]3C[C@H]2[C@@H](O)[C@@H]3O)c(O)c1O 2166411926 BSRXTTNSHYBWPI-QIXLZMONSA-N 281.308 0.023 10 10 CCCE COC(=O)c1ccoc1C(=O)OCC(=O)C(C)=O 808548369 JSBIAFMXMKLAAN-UHFFFAOYSA-N 254.194 0.381 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)[C@H](O)C1CCC1 827294921 WSTJOLGOAYBQNA-CYBMUJFWSA-N 265.309 0.918 10 10 CCCE C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cc(O)cs1 844148941 KHNVTZRCNUIIBO-SECBINFHSA-N 297.380 0.646 10 10 CCCE CN1CC(CN(C)C(=O)c2c(F)ccc(O)c2O)C1 857316455 YYURQGUDWCPMRO-UHFFFAOYSA-N 268.288 0.871 10 10 CCCE COC[C@@H](N)[C@@H](CO)N(C)c1ccc(OC)cc1 2253404816 VJSYFSTXYNOPCT-CHWSQXEVSA-N 254.330 0.466 10 10 CCCE O=C1N[C@H](C(=O)N2Cc3cccc(O)c3C2)CCO1 871205490 FNZXQLVSRDRJHC-JTQLQIEISA-N 262.265 0.733 10 10 CCCE O=C1NOC[C@@H]1NCc1cccc(Br)c1O 393761721 MEMKAEYMQCAAIG-QMMMGPOBSA-N 287.113 0.674 10 10 CCCE C[C@@H]1CS(=O)(=O)C[C@H]1NCc1ccc(O)c(O)c1 711651942 AGEXWRWPVPRSBK-PSASIEDQSA-N 271.338 0.621 10 10 CCCE CCOC(=O)C1(NCCN=[N+]=[N-])CC(S(C)(=O)=O)C1 716073571 URWVIBGPSZXMJJ-UHFFFAOYSA-N 290.345 0.395 10 10 CCCE CN1C(=O)[C@@H](O)c2ccc(N3CCS[C@H](CO)C3)cc21 720039821 WAISFNNDNICASJ-GWCFXTLKSA-N 294.376 0.611 10 10 CCCE CNC(=O)[C@@H]1CCN(C(=O)c2ccc(C)c(O)c2O)C1 1142621149 YPRFWUMCTQYLSM-SECBINFHSA-N 278.308 0.614 10 10 CCCE C[C@H]1C(=O)NCCN1c1cc2c(cc1Cl)[C@H](N)C(=O)N2 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CO[C@H]1CCN(C(=O)Cc2ccc(N)cc2)[C@H](CN)C1 1972008395 RXLANRGLHUBROU-KBPBESRZSA-N 277.368 0.776 10 10 CCCE O=C(NC[C@@]12CC[C@@H]1CCCN2)c1cc(O)nc(O)c1 2145606746 WKZNSIDPNIHGON-HZMBPMFUSA-N 277.324 0.755 10 10 CCCE COc1ccc(O)c(CN2CCO[C@@H]3[C@@H](C(=O)O)[C@H]32)c1 2149275059 FLHHFZFLLGZHLA-YNEHKIRRSA-N 279.292 0.685 10 10 CCCE Nc1ccc(-n2nccc2NC(=O)c2c[nH]nn2)cc1 157401723 VVSBLIUFKBMCQX-UHFFFAOYSA-N 269.268 0.825 10 10 CCCE CC(C)(CO)NC(=O)c1ccn(-c2ccc(N)cc2)n1 35598961 STBYJIGUSDWARM-UHFFFAOYSA-N 274.324 0.955 10 10 CCCE COC1CC(NC(=O)Cc2ccc(N)cc2)(C(=O)O)C1 2151208126 VHUWCQLVJOFMEG-UHFFFAOYSA-N 278.308 0.560 10 10 CCCE C[C@](O)([C@@H]1CCCS(=O)(=O)C1)[C@@H](N)c1ccccc1O 2148153459 PEHFREHTBUOFHR-SWHYSGLUSA-N 299.392 0.968 10 10 CCCE N[C@@H]1CN(C(=O)c2ccc(O)c(O)c2)[C@]2(CCOC2)C1 2154533360 ZNIWYDQBMSZJIL-IINYFYTJSA-N 278.308 0.430 10 10 CCCE NC1[C@H]2CC[C@H]1CN(C(=O)Cc1ccc(O)c(O)c1)C2 2155537188 USYFDEDYAFQWGH-QWRGUYRKSA-N 276.336 0.836 10 10 CCCE C[C@H](N[C@@H]1COC[C@@H]1CO)c1cc(O)ccc1O 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C[C@@H]1[C@H](C(=O)O)CCCN1C(=O)c1cc(O)nc(O)c1 384420701 SZDAZQFFZMAUHU-VXNVDRBHSA-N 280.280 0.818 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3C[C@@H](O)C[C@@H]3C)ccc21 385232724 JQTRXFQVIWHEHN-FWDPORAESA-N 261.325 0.859 10 10 CCCE COc1cccc(CNC[C@H]2CN3CCN2CC3)c1O 394711358 VSJPBHNPBKHCTI-ZDUSSCGKSA-N 277.368 0.490 10 10 CCCE Nc1ccc(CC(=O)N2CC[C@H](O)[C@@H](CO)C2)cc1 396812166 QBWNPHJXDFEYOZ-YPMHNXCESA-N 264.325 0.013 10 10 CCCE C[C@]1(C(=O)Nc2ccc(O)c(O)c2)CCNC(=O)C1 2064243745 JMXYJESJLXPVNQ-ZDUSSCGKSA-N 264.281 0.953 10 10 CCCE CCOc1cccc(CN2CC[C@H](CO)[C@H](N)C2)c1O 2178866443 FFKLXAJXNZDSOI-CHWSQXEVSA-N 280.368 0.932 10 10 CCCE C[C@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)C[C@H]1N(C)C 2188868373 QGRVWBRIVWFCNN-WCBMZHEXSA-N 280.324 0.826 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CCC[C@@H]2CNC[C@H]21 2188923339 LWXFLMUMIKMFQP-PSASIEDQSA-N 278.308 0.627 10 10 CCCE CSCC[C@@H](O)CCNC(=O)c1cc(O)nc(O)c1 2090378682 DOELQHBWFZQDCA-VIFPVBQESA-N 286.353 0.727 10 10 CCCE C[C@H](c1c(O)cccc1O)N1C[C@@H](N)C[C@H](O)C1 2049119894 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CCNCc1ccc(N2CC[C@@](O)(CO)C2)c(F)c1 313853030 KUWAJHPDKAFEFA-AWEZNQCLSA-N 268.332 0.869 10 10 CCCE OCC1(CNCc2ccc(O)c(O)c2O)CCOCC1 700904000 RTGVJPHOKYUJRV-UHFFFAOYSA-N 283.324 0.682 10 10 CCCE CN1C(=O)C[C@H](N2CCCc3cc(CN)ccc32)C1=O 700925323 MUASHHQRWSKUOL-ZDUSSCGKSA-N 273.336 0.655 10 10 CCCE CNCc1ccc(N2CC[C@@H](NS(C)(=O)=O)C2)cc1 705529316 XDJRFBQRWYKYIX-GFCCVEGCSA-N 283.397 0.534 10 10 CCCE CO[C@H](C(=O)NCc1cc(N)ccc1O)[C@H]1CCCO1 2177482746 HXPGDFYZIDJOBX-OLZOCXBDSA-N 280.324 0.785 10 10 CCCE CN1C[C@@H]2CC[C@H](C1)N2c1ccc2c(c1)NC(=O)[C@@H]2N 687243039 MIGXEHFLXQOWHF-UHIISALHSA-N 272.352 0.921 10 10 CCCE COC[C@@H](OC)C(=O)NCc1cc(N)ccc1O 691139397 JWHXQODIEVWJMO-LLVKDONJSA-N 254.286 0.252 10 10 CCCE Cn1ncc(CNC(=O)[C@H]2CNc3ccccc3N2)n1 389938648 LMGVMPMIPYBSFO-GFCCVEGCSA-N 272.312 0.338 10 10 CCCE C[C@@H](CC(=O)N(C)C)NC(=O)COc1ccc(N)cc1 380906975 CFEHYQJJJMETAJ-JTQLQIEISA-N 279.340 0.631 10 10 CCCE CC(=O)NC1CN(c2c(F)cc(CN)cc2F)C1 387774905 IOCYZBMCVBFIRK-UHFFFAOYSA-N 255.268 0.748 10 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COc1cc(N2[C@H](CO)C[C@@H]3OCC[C@H]32)ccc1CO 2204553542 LIFQYBUDRLJHOQ-GUTXKFCHSA-N 279.336 0.916 10 10 CCCE Nc1ccc(OCCCN2C[C@H](O)[C@@H](O)[C@@H]2CF)cc1 2205599101 IXLQBPAFKGNTOB-IHRRRGAJSA-N 284.331 0.413 10 10 CCCE [N-]=[N+]=N[C@@H]1CCC[C@@H]1NC(=O)CCSCC(N)=O 2218744442 MDKFGOGQXLMBPI-JGVFFNPUSA-N 271.346 0.943 10 10 CCCE COc1ccc(N2CCN(CCCO)CC2)c(CN)c1 2235972752 CGSVLFQQZFLMBY-UHFFFAOYSA-N 279.384 0.658 10 10 CCCE COc1ccc(N2[C@H]3CC[C@H]2C(=O)NC3)c(CO)c1 2227710941 KKRZCIGAGWQBMA-GWCFXTLKSA-N 262.309 0.655 10 10 CCCE COc1ccc(N2CC[C@H](S(=O)(=O)N(C)C)C2)c(N)c1 2279239712 FYFMKCQWFBSBBV-NSHDSACASA-N 299.396 0.748 10 10 CCCE COc1cc(N2C[C@@H]3OCC[C@@]3(CO)C2)ccc1CN 2296448129 HVTPMVTZOOWFJW-GJZGRUSLSA-N 278.352 0.742 10 10 CCCE COC[C@H]1C[C@@H](CN)N(C(=O)c2ccc(O)c(O)c2)C1 2289502187 ZJEBXTDMUJNCSF-ONGXEEELSA-N 280.324 0.534 10 10 CCCE COc1ncc(Cl)cc1COc1nnc(=N)[nH]n1 2317896166 QRPQJMOTXKMKKR-UHFFFAOYSA-N 268.664 0.315 10 10 CCCE Cc1cc(CO)ccc1N1CC[C@@H]2C[C@H]1[C@@H](O)[C@H]2O 2332593055 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NC[C@H](C(=O)O)c1ccc(Br)c(O)c1O 258569388 LJVJEIUIVHCOPY-YFKPBYRVSA-N 276.086 0.987 10 10 CCCE N[C@H](Cc1c(O)c(O)cc(F)c1Br)C(=O)O 258388628 ANZWGIMPAMUACN-RXMQYKEDSA-N 294.076 0.954 10 10 CCCE CC[C@H]1C(=O)NCCN1c1ccc2c(c1)NC(=O)[C@H]2NC 251661026 OAPWHLFXKKEVBC-STQMWFEESA-N 288.351 0.614 10 10 CCCE CC[C@H]1C(=O)NCCN1[C@H](C)C(=O)Nc1ccc(N)cc1 251524298 GOCMHWGEHIYAIU-MFKMUULPSA-N 290.367 0.806 10 10 CCCE CC(=O)C(=O)COC(=O)C(F)(F)C1(O)CCC1 808528818 QUFODEPMHJWIJI-UHFFFAOYSA-N 250.197 0.238 10 10 CCCE O=C(O)C[C@H](NC(=O)c1cccc(O)c1O)C(F)F 725077129 MDCWMILLKKZJOF-LURJTMIESA-N 275.207 0.936 10 10 CCCE CN1C(=O)[C@H](O)c2ccc(N3C[C@@H]4C[C@H]3CO4)cc21 718278001 PJHAGKHZXCRIDR-OUJBWJOFSA-N 260.293 0.674 10 10 CCCE CC(=O)C(=O)COC(=O)[C@@H]1CCCN(C(C)(C)C)C1=O 885480875 DXIMYEMQEQPYTO-SNVBAGLBSA-N 283.324 0.725 10 10 CCCE Cn1c(CCCN)cc(=O)n2nc(-c3cccnc3)cc12 71468255 ZFAQILUPVJFJIZ-UHFFFAOYSA-N 283.335 0.986 10 10 CCCE O=C(NCc1cccc(O)c1O)[C@@H]1CC(=O)N(C2CC2)C1 1123887305 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C[C@H]1CN(C(=O)COc2ccc(N)cc2)CC[S@]1=O 2115321018 HDENXGGCDPNEAL-APBUJDDRSA-N 282.365 0.627 10 10 CCCE COCn1nccc1S(=O)(=O)Nc1ccc(O)cc1 2117349965 NKFKHSYBAYZCDS-UHFFFAOYSA-N 283.309 0.993 10 10 CCCE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2NCc1cc(F)cc(F)c1O 2118010308 SHPXYMRUVQUREP-JZYVYDRUSA-N 289.303 0.803 10 10 CCCE CN1CCN(c2ccc3c(c2)CC[C@H]3N)C[C@H]1CO 2128295888 PEYLAHDIZALSBK-DZGCQCFKSA-N 261.369 0.745 10 10 CCCE OC[C@H]1C[C@@H](O)CN1c1ccc2c(c1)CCC[C@H]2O 2128274408 OTSWLCIYIPAVCB-UMVBOHGHSA-N 263.337 0.988 10 10 CCCE Nc1cc2c(cc1N1C[C@H]3C[C@@H](O)[C@H]1C3)OCCO2 2120640641 PJDOQWQBTDMHGY-GGZOMVNGSA-N 262.309 1.000 10 10 CCCE CN(C(=O)c1cc(O)nc(O)c1)[C@H](CCO)C(F)F 2122001431 OYUGQLHBTAVIRP-SSDOTTSWSA-N 276.239 0.581 10 10 CCCE C[C@@]1(O)CC[C@H](NC(=O)c2cc(O)c(O)c(O)c2)C1 2132348810 SQZDKNKECOAHAK-ISVAXAHUSA-N 267.281 0.837 10 10 CCCE CCn1nncc1S(=O)(=O)NCCCCN=[N+]=[N-] 1912151599 JHOFWRWFBPYNDW-UHFFFAOYSA-N 273.322 0.667 10 10 CCCE [N-]=[N+]=NC1CN(C(=O)C[C@H]2CCS(=O)(=O)C2)C1 1912190401 CXCUEFRTADQBSD-SSDOTTSWSA-N 258.303 0.332 10 10 CCCE CN(CCCN=[N+]=[N-])CC(=O)N1CCC[C@H](C(N)=O)C1 1912211143 SNWHMRGBVPLDSE-JTQLQIEISA-N 282.348 0.343 10 10 CCCE [N-]=[N+]=NCC1CCN(C[C@H]2CCS(=O)(=O)N2)CC1 1912205109 MRLMGJCCWCTSQI-SNVBAGLBSA-N 273.362 0.700 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@]1(CCO)CCOC1 1448514792 HYRBSUIENZMELG-CQSZACIVSA-N 281.308 0.298 10 10 CCCE COC[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)OC 1447560838 IWQBYZOWKAXKPJ-SNVBAGLBSA-N 269.297 0.418 10 10 CCCE C[C@@H]1C(=O)NCCN1CC(=O)N(C)c1ccc(N)cc1 110654792 UVZISFFPWAGJKR-SNVBAGLBSA-N 276.340 0.052 10 10 CCCE CCOC(=O)[C@H](N)C(=O)N(C)[C@@H](C)c1ccccc1O 224032031 FLTLAOQFTOPNKM-JOYOIKCWSA-N 280.324 0.802 10 10 CCCE Cn1cc([C@@H](CO)NC(=O)Cc2ccc(O)c(O)c2)cn1 1624313386 OYOLWWRTWDGZJB-LLVKDONJSA-N 291.307 0.224 10 10 CCCE COc1ccc(O)c([C@@H](C)N2CC[C@@](N)(C(=O)O)C2)c1 229207910 JXGFGQSQBOMGEP-OTYXRUKQSA-N 280.324 0.950 10 10 CCCE Cn1ccnc1CNC(=O)Cc1ccc(O)c(O)c1 1632560739 FWYKEDOKRWJCNF-UHFFFAOYSA-N 261.281 0.690 10 10 CCCE NC(=O)Cc1occc1C(=O)NCc1ccc(O)cc1O 1643104229 QXNAAHTYFNJFQE-UHFFFAOYSA-N 290.275 0.649 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@H](c2nn[nH]n2)C1 1588221934 POYIOHKIBXOYGC-VIFPVBQESA-N 289.295 0.170 10 10 CCCE O=C(O)/C=C\c1ccc(N2CCNC(=O)C2)c(F)c1 207454958 HRWYXSGZPXLXBK-RQOWECAXSA-N 264.256 0.860 10 10 CCCE CN(c1ccccn1)c1nc(O)nc2c1CNCC2 258914753 VWMRADIQBMLOPB-UHFFFAOYSA-N 257.297 0.991 10 10 CCCE COCCC[C@@H](NC(=O)c1ccc(O)c(O)c1)C(=O)O 234619695 CIMIVEFKYAMKJX-SECBINFHSA-N 283.280 0.707 10 10 CCCE COc1cccc(CN2CCOC3(CNC3)C2)c1O 853248392 FQLRAXRQWBYXBL-UHFFFAOYSA-N 264.325 0.575 10 10 CCCE Nc1ccc(OCCC(=O)NCC2CC(N)C2)cc1 1876514575 MOXBZLXTKPTOBJ-UHFFFAOYSA-N 263.341 0.891 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CCN[C@H]3CC[C@H]32)cc1 1876536269 XTFYDBNIICBKLA-QWHCGFSZSA-N 281.381 0.535 10 10 CCCE C[C@H](CS(N)(=O)=O)NCc1cc(F)ccc1O 1947444390 BCBBUJQZYONCHJ-SSDOTTSWSA-N 262.306 0.298 10 10 CCCE CC12CNC(C(=O)NCCc3ccc(O)c(O)c3)(C1)C2 1968738672 CSFPKPIYJWIKJU-UHFFFAOYSA-N 276.336 0.899 10 10 CCCE C[C@H](c1c(O)cccc1O)N1CCO[C@@H]2[C@@H](C(=O)O)[C@@H]21 2149285013 DNTAHQPQZDWCSP-FFAVSVRISA-N 279.292 0.943 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CC2(CC2)CN1 2152459945 VPCNDFABODIEJA-NSHDSACASA-N 276.336 0.899 10 10 CCCE NC(=O)NC1CN(c2ccc(CO)c(Cl)c2)C1 1999573242 VBWCPVOYADFHMT-UHFFFAOYSA-N 255.705 0.689 10 10 CCCE C[C@H](c1cc(O)ccc1O)N1CCC(N)(C(N)=O)CC1 2154305988 BJRDEFFIHCDHDU-SECBINFHSA-N 279.340 0.437 10 10 CCCE CNC(=O)CN1CCN(Cc2cccc(F)c2O)CC1 700797452 MYWMHXMSDDGSQD-UHFFFAOYSA-N 281.331 0.395 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3CC[C@@H]3CO)c(Cl)cc21 2031691250 LCZKIIONJKAJTK-KSBSHMNSSA-N 267.716 0.863 10 10 CCCE CO[C@@H]1CN(C)C[C@@H]1NCc1cccc(O)c1O 2034335025 MQHVFHLBIGQBGT-CMPLNLGQSA-N 252.314 0.516 10 10 CCCE CO[C@H](C(=O)[C@@H]1CCC(=O)C1=O)[C@H]1CCCOC1 2035492225 GIQPKZXOWGXICA-RWEMILLDSA-N 254.282 0.545 10 10 CCCE C[C@H](N)c1ccc(N2C[C@@H](O)[C@H](O)C2)cc1Cl 300131731 FNQFUUDUBNPMAK-UPZJHPNMSA-N 256.733 0.902 10 10 CCCE COc1cccc(O)c1CNC[C@H]1C[C@H](C(=O)O)CO1 2160712392 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CN(C)C1CC(NS(=O)(=O)Cc2ccc(N)cc2)C1 701425759 ATEIVHJMQGONQU-UHFFFAOYSA-N 283.397 0.781 10 10 CCCE NCc1ccc(N2CCC[C@@](O)(C(N)=O)C2)c(F)c1F 380088413 KOXLCJGZNPKLMJ-ZDUSSCGKSA-N 285.294 0.240 10 10 CCCE CCN1CCN(CCOc2ccc(N)cc2)S1(=O)=O 388032693 XANOFRPPDUEIBG-UHFFFAOYSA-N 285.369 0.530 10 10 CCCE COc1cc(NCCOc2ccc(N)cc2)[nH]c(=N)n1 2173835686 PHZSRJLXKZQZFI-UHFFFAOYSA-N 275.312 0.971 10 10 CCCE COCCNCc1ccc(OC[C@@](C)(O)CO)c(C)c1 2168087709 KDOLVRFCVDJVDX-HNNXBMFYSA-N 283.368 0.853 10 10 CCCE CCn1nnnc1CNCc1ccc2c(c1)CCN2C 2169372059 WALVMFFGQLIRSF-UHFFFAOYSA-N 272.356 0.975 10 10 CCCE CCOC(=O)c1cnn2c(O)cc(CC(=O)O)nc12 2080929503 CMEHENSZNKBEAO-UHFFFAOYSA-N 265.225 0.239 10 10 CCCE Nc1ccc(NC(=O)N2CCN3C(=O)OC[C@@H]3C2)cc1 2170702421 BIOCKFXQPHVQNG-NSHDSACASA-N 276.296 0.937 10 10 CCCE C[C@@H]1CCNC[C@@H]1CNC(=O)c1cc(O)c(O)c(O)c1 2188918820 IAMJAPZBXPUZPT-PSASIEDQSA-N 280.324 0.779 10 10 CCCE C[C@@H]1C[C@H](NC(=O)c2cc(O)c(O)c(O)c2)[C@H](C)CN1 2188920745 YBEHBVLWPVUALG-MRTMQBJTSA-N 280.324 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Nc1ccc(CC(=O)N[C@H]2CC(C(=O)O)=C[C@H]2O)cc1 2188070635 YXYQJYLTSGPOQV-NWDGAFQWSA-N 276.292 0.072 10 10 CCCE Nc1ccc(CN2C[C@H](CC(=O)O)[C@@H](O)C2)cc1 2076912119 VVQGPTCZYAQVPT-JQWIXIFHSA-N 250.298 0.536 10 10 CCCE Nc1ccc(CC(=O)N[C@@H]2CO[C@H]3COC[C@@H]23)cc1 2101884123 DEEMRXFHWBFKCQ-XQQFMLRXSA-N 262.309 0.341 10 10 CCCE C[C@H](c1cc(O)ccc1O)N1C[C@H](N)[C@@H]2COC[C@@H]21 2102141016 LOLAWNWHDHSWPN-YJRXYDGGSA-N 264.325 0.817 10 10 CCCE NC(=O)[C@@H]1CNCCN1c1ccc(OC2CC2)cc1 2106325176 GDGAFZQBZUFMGL-ZDUSSCGKSA-N 261.325 0.491 10 10 CCCE CC[C@H](N)c1ccc(N2CC(OCC(N)=O)C2)cc1 2089132509 CWIQXNORTXFSAQ-ZDUSSCGKSA-N 263.341 0.787 10 10 CCCE C[C@@H](NC[C@@H]1CCS(=O)(=O)N1)c1c(O)cccc1O 2089999823 WYNOJDRREYVCGF-BDAKNGLRSA-N 286.353 0.440 10 10 CCCE Nc1ccc(CCCN2CC[C@H](O)[C@H](CO)C2)cc1 2090612563 JQTUKVHWRZNNGQ-ZFWWWQNUSA-N 264.369 0.877 10 10 CCCE CN[C@H](c1ccccc1O)[C@]1(O)CCS(=O)(=O)[C@@H]1C 2091867115 KJRLHQRTMGSSDK-WQAKAFBOSA-N 285.365 0.591 10 10 CCCE 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Oc1cccc(F)c1CNC[C@@H]1C[C@@H]2C[C@H]1[C@H](O)[C@@H]2O 2355454907 RLTQOUVMILTRRO-BJFOPFPESA-N 281.327 0.999 10 10 CCCE Cc1ccc(O)c([C@@H](C)N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1 2355673590 GWTQTJWEVSDGIA-KVOBGNBSSA-N 281.352 0.454 10 10 CCCE O=C(O)[C@H](Cc1cnc[nH]1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 22173086 SZIOWUAFQDAWSY-AXFHLTTASA-N 289.291 0.357 10 10 CCCE N[C@@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 41030262 CPKIQDZSAOSJGE-MRVPVSSYSA-N 292.295 0.853 10 10 CCCE C[C@@H](NCCNS(C)(=O)=O)c1c(O)cccc1O 235202430 MOMZIHWNNSSOIY-MRVPVSSYSA-N 274.342 0.298 10 10 CCCE NCc1ccc(N2CC[C@@H](C(N)=O)C2)c(F)c1F 236226969 XMCVVXRTUNLMFS-MRVPVSSYSA-N 255.268 0.735 10 10 CCCE C[C@H]1CNC(C(=O)NCCc2ccc(O)c(O)c2)=N1 256031091 ZEDPLFSVXLHAJQ-QMMMGPOBSA-N 263.297 0.147 10 10 CCCE O=C(O)[C@H]1[C@H]2CC[C@H]1N(C(=O)c1cc(O)nc(O)c1)C2 2163763206 YDSXVVMEXYJVIS-QXHCQDJKSA-N 278.264 0.428 10 10 CCCE CC(=O)C(=O)COC(=O)[C@H]1CCCN1C(=O)C(C)(C)C 808502372 GJWHPMHLDPCPJJ-SNVBAGLBSA-N 283.324 0.725 10 10 CCCE CCN(CC)C(=O)CCC(=O)OCC(=O)C(C)=O 808526135 LLPDEMSCJRGAEP-UHFFFAOYSA-N 257.286 0.336 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@@H](N)C1(O)CCC1 2131531824 WDMJJXZMAPOFJQ-GFCCVEGCSA-N 264.325 0.593 10 10 CCCE COCCC[S@@](=O)C[C@H](O)COc1ccc(N)cc1 722442414 LNPVEKIJSJYEDT-CWTRNNRKSA-N 287.381 0.794 10 10 CCCE CC(C)(O)CNC(=O)/C=C\c1ccc(O)c(O)c1 588406855 ZQDPBGBNNHZVFP-XQRVVYSFSA-N 251.282 0.998 10 10 CCCE COC(=O)CC[C@@H](N)C(=O)NCCc1ccc(N)cc1 832658902 GWDAOZSMQLHSCX-GFCCVEGCSA-N 279.340 0.208 10 10 CCCE CO[C@@H](Cc1ccccc1)C(=O)OCC(=O)C(C)=O 837837699 RAHXVCVVQFLMMV-ZDUSSCGKSA-N 264.277 0.945 10 10 CCCE CCON(C)C(=O)CNCc1cc2c(cc1O)OCO2 846063923 YIBPJQLBUYVIGO-UHFFFAOYSA-N 282.296 0.620 10 10 CCCE CCOC(=O)C[C@@H](O)C(=O)NCc1c(O)cccc1F 928708688 QEMFFEVEUZIJIP-LLVKDONJSA-N 285.271 0.462 10 10 CCCE Cc1ccc([C@H](C)NC[C@@H](O)CS(C)(=O)=O)c(O)c1 927026901 RUOXXLZZPRJOOG-WDEREUQCSA-N 287.381 0.757 10 10 CCCE CON1CC[C@@H](OC(=O)/C=C\c2ccc(O)c(O)c2)C1=O 922545388 NYUUCWFQJMMPGT-KTLBGCOUSA-N 293.275 0.817 10 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10 CCCE Oc1cccc(-c2nc(N3CCOCC3)no2)c1O 126904616 WYIZPVOWGYGXOT-UHFFFAOYSA-N 263.253 0.984 10 10 CCCE COc1ccc(O)c(CN2CCOC3(CNC3)C2)c1 853248368 DRRWUHHQQJGOHI-UHFFFAOYSA-N 264.325 0.575 10 10 CCCE O=S1(=O)CCC[C@H](NCc2ccc(O)c(O)c2O)C1 236591715 IPCGHDLPOQXSBR-VIFPVBQESA-N 287.337 0.470 10 10 CCCE NC[C@@H]1CN(C(=O)CCc2ccc(N)cc2)CCO1 1876439239 HOLNAYTWZBTUMU-CYBMUJFWSA-N 263.341 0.388 10 10 CCCE C[C@H](N)CNC(=O)c1ccn(-c2ccc(N)cc2)n1 1876440802 WTLVJKVHSMNDPQ-VIFPVBQESA-N 259.313 0.532 10 10 CCCE C[C@@H]1NCCC[C@@H]1NS(=O)(=O)Cc1ccc(N)cc1 1876416778 BEZVQGAPKHODEG-GWCFXTLKSA-N 283.397 0.829 10 10 CCCE C[C@H](c1ccccc1O)N(C)C(=O)[C@H]1COC[C@H]1N 251567283 UASVTPDSBSUWGJ-ADEWGFFLSA-N 264.325 0.885 10 10 CCCE CO[C@H]1CCNC[C@H]1C(=O)NCc1ccccc1O 1969153834 DQJXTTLJEDODMU-YPMHNXCESA-N 264.325 0.633 10 10 CCCE CN(C(=O)CN1CC(C)(C)[C@@H]1CO)c1ccc(N)cc1 2148954456 ZTHZCMBPRPNIAA-ZDUSSCGKSA-N 277.368 0.934 10 10 CCCE C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1)C1CSC1 2146086692 JJMFEXWZMULKFE-KWQFWETISA-N 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C[C@H](c1ccccc1O)N1C[C@@H](N)C[C@@H](C(N)=O)C1 2094663740 VBOMXXQPESMDPM-MXWKQRLJSA-N 263.341 0.588 10 10 CCCE Oc1ccc(CNCCN2C[C@H]3C[C@H]3C2)c(O)c1O 2099617171 QLAFQOJNOFTJEY-PHIMTYICSA-N 264.325 0.845 10 10 CCCE CO[C@H]1C[C@@](O)([C@H](N)c2ccccc2O)C[C@H]1OC 2115898861 XTOPDXUJVRGUNC-XJFOESAGSA-N 267.325 0.947 10 10 CCCE CCCN(CCOc1nnc(=N)[nH]n1)C(=O)OC(C)(C)C 2209560620 PEBYCSZHJAIGSW-UHFFFAOYSA-N 298.347 0.705 10 10 CCCE CO[C@@H]1CN(c2ccc(CO)c(C)c2)[C@H](CO)[C@H]1OC 2233354075 NUAXBJUPFBVECI-RBSFLKMASA-N 281.352 0.698 10 10 CCCE Cc1cc([C@@H](C)O)ccc1N1C[C@H](O)C[C@H]1CO 2223979409 QBHJKNURKRIVHT-KGYLQXTDSA-N 251.326 0.980 10 10 CCCE Nc1ccc(CNC(=O)NC2CC(C(=O)O)C2)cc1 2225066484 MZJQQKGLNSITLU-UHFFFAOYSA-N 263.297 0.931 10 10 CCCE COc1ccc(N2C[C@H]3C(C(N)=O)[C@@H]3C2)c(C(=O)O)c1 2235949215 BFYZXGBZKQHICA-NXEZZACHSA-N 276.292 0.561 10 10 CCCE COc1ccc(N2C[C@H](CO)C[C@@H](CO)C2)c(CO)c1 2236634726 WLUXMVOJRZTPLT-VXGBXAGGSA-N 281.352 0.615 10 10 CCCE COc1ccc(N2CCC(CO)(CO)C2)cc1OC 2226802666 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C[C@H](c1c(O)cccc1O)N1C[C@H]2CS(=O)(=O)[C@H]2C1 2336547835 DCFRCVRXQCLKAK-PTRXPTGYSA-N 283.349 0.888 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)[C@@H]1[C@@H]2CC[C@H]1NC2 2354643504 CDDVLGSREHEUBY-JTNHKYCSSA-N 276.336 0.755 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N3CCN(CCO)CC3)ccc21 102487862 LUMJYYLLFYYLOW-CQSZACIVSA-N 290.367 0.014 10 10 CCCE C[C@H](NC(=O)[C@@H]1CN2CCN1C[C@@H]2C)c1ccccc1O 1350225781 XNQGRODJTIIQIN-OBJOEFQTSA-N 289.379 0.958 10 10 CCCE O=C(N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2O)c1cc(O)c(O)c(O)c1 2356975372 SNMGDCIQLWVXPI-MFDQJXRNSA-N 279.292 0.693 10 10 CCCE CNCC[C@@H](O)CN(C)c1ccc2c(c1)OCO2 77434785 SCOJIYTTYKINEY-LLVKDONJSA-N 252.314 0.822 10 10 CCCE CNC(=O)CC(=O)NCc1ccc2c(c1)CCCN2C 134173618 NPQNTTGKRVRYLS-UHFFFAOYSA-N 275.352 0.821 10 10 CCCE C[C@@H](NC(=O)CCc1ccc(N)cc1)c1nnn[nH]1 44884588 ACQOJKURRMDOIZ-MRVPVSSYSA-N 260.301 0.592 10 10 CCCE NS(=O)(=O)CCCNCc1cc(Cl)ccc1O 45066756 YZXRSCMVTFVZEW-UHFFFAOYSA-N 278.761 0.814 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCC1CC1 40457895 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C[C@@H]1Cc2cc(N3C[C@H](O)[C@@H](O)[C@@H]3CF)ccc2O1 2226700048 KABUQQAWKLBTKA-JRQIVUDYSA-N 267.300 0.890 10 10 CCCE NC12COC(C(=O)NCCc3ccc(O)c(O)c3)(C1)C2 2280763119 OTVVNBRRPIDUOD-UHFFFAOYSA-N 278.308 0.017 10 10 CCCE CC1(C)CC(NC(=O)c2cccc(O)c2O)(C(N)=O)C1 2240663932 HIEXYTRREXDTSP-UHFFFAOYSA-N 278.308 0.872 10 10 CCCE CC[C@]1(NC(=O)Cc2ccc(N)cc2)CCNC1=O 2273267232 ISRLEKNBZFBDOS-AWEZNQCLSA-N 261.325 0.596 10 10 CCCE O=[N+]([O-])c1cc(N2CC[C@H](O)[C@H](O)CC2)ccc1CO 2284545416 YXGOBLLPGVZSIL-BETUJISGSA-N 282.296 0.409 10 10 CCCE NC[C@@]12C[C@H]1CN(c1cc3c(cc1N)OCC(=O)N3)C2 2288266556 FJCMNWFXGUHEPB-RMLUDKJBSA-N 274.324 0.385 10 10 CCCE Nc1cc2c(cc1N1C[C@@H]3C[C@@H](O)[C@H]1C3)NC(=O)CO2 2355619527 FYUUCWMDSLPLRM-UPZJHPNMSA-N 275.308 0.559 10 10 CCCE CCN[C@H](CCN(C)c1ccc(OC)cc1)C(N)=O 62528492 LJIVSIQWMZYTKA-CYBMUJFWSA-N 265.357 0.985 10 10 CCCE CC[C@H](CN)N1CCN(C(=O)c2cccc(O)c2O)CC1 125947693 IWQUXQMBRJIACX-LLVKDONJSA-N 293.367 0.593 10 10 CCCE C[C@@H](CNC(=O)c1cccc(O)c1O)[S@](C)=O 126549130 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COC(=O)[C@H](NCCN=[N+]=[N-])c1nnn(C(C)(C)C)n1 697213033 BANYCXVMXKHIDB-SSDOTTSWSA-N 282.308 0.542 10 10 CCCE C[C@@H](Oc1ccc(N2CCNCC2)cc1)C(=O)O 77017594 CMKXNEQTXXWMIM-SNVBAGLBSA-N 250.298 0.948 10 10 CCCE NCc1ccc(N2CCOC[C@@H]2CO)cc1Cl 167965272 ZPXWDDIEJLKVRA-NSHDSACASA-N 256.733 0.996 10 10 CCCE CN(C)c1ccc(CN2CC(O)(c3ncnn3C)C2)cc1 895620242 AVDHCWMOWJGNLD-UHFFFAOYSA-N 287.367 0.585 10 10 CCCE COCCNC(=O)CNCc1ccc(N(C)C)cc1 71009467 UDZGUEZFGLMPKU-UHFFFAOYSA-N 265.357 0.605 10 10 CCCE CNC(=O)NCCC(=O)NCc1cc(O)ccc1O 1153885371 MQPMBMHJSOZJGI-UHFFFAOYSA-N 267.285 0.033 10 10 CCCE O=C1Nc2cc(N3CCO[C@@H]4C[C@H]43)c(F)cc2[C@H]1O 2115219950 MFWBDVSWMRPGIP-IJLUTSLNSA-N 264.256 0.789 10 10 CCCE CCOCCS(=O)(=O)CC(=O)Nc1ccc(N)cc1 2127765428 IEZSNGIGBAWVIY-UHFFFAOYSA-N 286.353 0.659 10 10 CCCE CCN1CC[C@H](NC(=O)c2cc(O)c(O)c(O)c2)C1 2132350023 JPDOANWFUYQXHB-VIFPVBQESA-N 266.297 0.627 10 10 CCCE CC(C)(C)[C@@H](N)CNC(=O)c1cc(O)c(O)c(O)c1 2132404098 PCWIRAGCXNPTAA-JTQLQIEISA-N 268.313 0.907 10 10 CCCE 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263.341 0.693 10 10 CCCE C[C@@H](N)c1cc(F)c(N2C[C@H](O)C[C@H]2CO)c(F)c1 1880961091 SQIFSXPYZZCUHZ-FKTZTGRPSA-N 272.295 0.916 10 10 CCCE NC(=O)[C@H]1CCCN1S(=O)(=O)Cc1ccc(N)cc1 19994575 ZFNXDNLMHKUVNS-LLVKDONJSA-N 283.353 0.048 10 10 CCCE CNCc1ccc(N2C[C@@H](O)C[C@H]2CN(C)C)cc1 249853626 NTEZDXJUGBOXSY-GJZGRUSLSA-N 263.385 0.907 10 10 CCCE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CC(N=[N+]=[N-])C1 1890412250 JULIFYMTZWDBBN-SECBINFHSA-N 299.331 0.783 10 10 CCCE N[C@H](c1ccccc1O)C1[C@@H]2CS(=O)(=O)C[C@@H]12 2006135641 ATQOBTUHSIDIDF-KBVBSXBZSA-N 253.323 0.683 10 10 CCCE C[C@@H](CS(=O)(=O)N(C)C)NCc1ccc2c(c1)CCO2 1965912400 QNPXFLBJROXKQA-NSHDSACASA-N 298.408 0.991 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1C[C@H]2CNC[C@H]21 1971088411 FWIKTBHDKUWWAX-HBNTYKKESA-N 262.309 0.364 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@@H](C2CNC2)C1 2149896228 DTIUWLZPDHEQDF-LLVKDONJSA-N 276.336 0.708 10 10 CCCE CCOC(=O)c1c(C)nn2c3c([nH]c12)CC[S@@](=O)C3 260174977 WVMXMWHDOIKOPL-LJQANCHMSA-N 281.337 0.952 10 10 CCCE CN1C[C@@H](O)[C@H](NCc2ccc3c(c2)CCCN3C)C1 2146512605 CYCBVMINTYMANL-GDBMZVCRSA-N 275.396 0.834 10 10 CCCE OCCOCCOc1ccc(N2CCNCC2)cc1 40228780 NFTAAGKPUOGJQE-UHFFFAOYSA-N 266.341 0.484 10 10 CCCE CN1CC2(C1)CN(c1cc3c(cc1F)[C@@H](O)C(=O)N3)C2 2152254960 JOMICVZDNFWLDG-GFCCVEGCSA-N 277.299 0.563 10 10 CCCE CCS(=O)(=O)CC(=O)N1CCC[C@H](N=[N+]=[N-])C1 2015470447 RXOBAEBHIXHGGJ-QMMMGPOBSA-N 260.319 0.722 10 10 CCCE C[C@@H](NCc1ccc(O)c(O)c1)C1CS(=O)(=O)C1 2029388260 SFFYFUKDFMVACY-MRVPVSSYSA-N 271.338 0.621 10 10 CCCE CN[C@H](c1ccccc1O)C1(O)COCCOC1 2031155306 VYFMYGRDMUDWBW-GFCCVEGCSA-N 253.298 0.431 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@@H]1OCC[C@H]1C(=O)O 2157021444 HERRDLBPRKFDSJ-ZYHUDNBSSA-N 279.292 0.840 10 10 CCCE CC[C@H]1N[C@@H](c2ccc3c(c2)CCN3C)C(=O)NC1=O 313104796 NSWLJBGSXQPPOH-YPMHNXCESA-N 273.336 0.745 10 10 CCCE C[C@@H](N)[C@@](O)(c1ccn(C)c(=O)c1)C(F)(F)F 314736980 BKTBWMXENNMFIC-HZGVNTEJSA-N 250.220 0.482 10 10 CCCE C[C@@H](C(=O)N1CCC[C@H]1CN=[N+]=[N-])S(C)(=O)=O 701159951 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NCc1cc(F)c(N2CC[C@H](O)[C@@H](CO)C2)c(F)c1 396942228 UDXXDAVKPLGWFM-SKDRFNHKSA-N 272.295 0.603 10 10 CCCE C[C@H]1CCC[C@@H](C(=O)O)N1C(=O)c1cc(O)nc(O)c1 2176082957 XHORYAOSCUOMTJ-CBAPKCEASA-N 280.280 0.961 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NC[C@H](O)C(F)(F)F 1568578792 FCUCYPOZIYZQOK-VIFPVBQESA-N 279.214 0.680 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CC[C@@H]2COC[C@@H]2C1 2188875237 PCQFIFCNLBZGPG-SCZZXKLOSA-N 279.292 0.912 10 10 CCCE CN(CC(=O)NC1CC1)C(=O)c1cc(O)c(O)c(O)c1 2188868705 VQSKSWGPMKIHAZ-UHFFFAOYSA-N 280.280 0.154 10 10 CCCE COc1ccc(N2CCNC[C@@H]2C(N)=O)cc1F 2044289162 KYYUPJFDWANLPX-SNVBAGLBSA-N 253.277 0.098 10 10 CCCE O=C(O)CN1CC(NCc2ccc(Cl)cc2O)C1 2050212418 ZDDJWHMNEYZXRU-UHFFFAOYSA-N 270.716 0.904 10 10 CCCE CC1(C(N)=S)CN(C(=O)c2cccc(O)c2O)C1 2051972550 FXPSBRPQHTYGGX-UHFFFAOYSA-N 266.322 0.846 10 10 CCCE NC[C@H]1CC[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 2065360490 GZXQRKUMQHCCQH-ZJUUUORDSA-N 250.298 0.494 10 10 CCCE NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)C1 2068616737 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10 CCCE CN[C@@H]1C(=O)Nc2cc(N3CC=C[C@@H](O)C3)ccc21 2108779977 NTEOQMIRFFDACY-MFKMUULPSA-N 259.309 0.636 10 10 CCCE CNC1(C(N)=O)CN(c2cc(C)c(OC)cc2C)C1 2109480496 GICYFRPTRCRIGX-UHFFFAOYSA-N 263.341 0.576 10 10 CCCE NNc1cc(NCCc2ccc(O)c(O)c2)ncn1 2091761658 ZXQDGNJLCZITAC-UHFFFAOYSA-N 261.285 0.828 10 10 CCCE O=C(CN1CC[C@H]2C[C@]2(O)C1)c1ccc(O)c(O)c1 2114563069 YLABFQDYEZDCQE-HZMBPMFUSA-N 263.293 0.737 10 10 CCCE CS(=O)(=O)CNC(=O)N(Cc1ccc(N)cc1)C1CC1 2203038693 ZURLSNCUTFCZOY-UHFFFAOYSA-N 297.380 0.945 10 10 CCCE CNCc1ccc(N(C)CC(C)(CO)CO)cc1OC 2204546025 WYMVGDKZTVNJNO-UHFFFAOYSA-N 282.384 0.842 10 10 CCCE COc1cc(N)c(N2C[C@H](O)[C@H](O)[C@H]2CF)cc1OC 2205599872 NRACEFZHPKPBHG-GBIKHYSHSA-N 286.303 0.166 10 10 CCCE Oc1ccc(CN[C@@H]2CCC[C@H](O)[C@H]2O)c(O)c1 2217643767 VMOYTLNDLXGPGE-MDZLAQPJSA-N 253.298 0.462 10 10 CCCE COc1ccc(N2C[C@H](O)[C@@H](O)[C@H](CO)C2)cc1Cl 2273674907 BWZLOUPSGYQCDB-QWRKXWFKSA-N 287.743 0.499 10 10 CCCE COc1cccc(CN[C@@H]2CCC[C@H](O)[C@@H]2O)c1O 2224354043 HEMBKPNFLBCZDK-UHIISALHSA-N 267.325 0.765 10 10 CCCE Cc1cccc(CNC(=O)c2c[nH]nc2CCN)c1O 2235311460 ABENEWPYERLINQ-UHFFFAOYSA-N 274.324 0.855 10 10 CCCE [N-]=[N+]=N[C@@H]1CCC[C@H]1NC(=O)[C@@H]1Cc2nncn2C1 2225800499 QYZQVIYDHAHIHB-IWSPIJDZSA-N 261.289 0.798 10 10 CCCE CN1CC[C@H](COC[C@@H](O)COc2ccc(N)cc2)C1 2237148992 XIKSGFPQEJPXQP-GXTWGEPZSA-N 280.368 0.977 10 10 CCCE CSc1ncc(CNCC[C@H]2CNC[C@@H]2O)s1 2248745749 YCFIGNXMFRRTFA-WPRPVWTQSA-N 273.427 0.925 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCC=CCl 2264118253 ZAVOYFLFJFSCTO-VIFPVBQESA-N 270.716 0.836 10 10 CCCE COC(=O)N[C@@H](C)CNC(=O)Cc1ccc(N)cc1 2274600640 ZFYJIDXZDUYLKK-VIFPVBQESA-N 265.313 0.672 10 10 CCCE COc1ccc(O)c(CN2C[C@@H](O)CC[C@H]2C(=O)O)c1 2279205529 DLEZZOMPLGKAQJ-JQWIXIFHSA-N 281.308 0.811 10 10 CCCE Cc1cccc(CNC(=O)[C@H](N)[C@H](O)C(F)(F)F)c1O 2280091747 UBEJYNCGVFYFTI-SCZZXKLOSA-N 292.257 0.567 10 10 CCCE O[C@H]1COC2(CN(c3ccc(OC(F)F)cc3)C2)[C@@H]1O 2295858211 RRTLWUOPMCZZCZ-WDEREUQCSA-N 287.262 0.599 10 10 CCCE CCO[C@]1(Cn2ccc3c(c2=O)CNCC3)CCOC1 2287182402 OKPJNRRFOOXXTJ-HNNXBMFYSA-N 278.352 0.690 10 10 CCCE COc1cc(OC)c(N2CCOC[C@@H]2CO)cc1OC 2289447619 AQZXJQCTICVQEP-JTQLQIEISA-N 283.324 0.910 10 10 CCCE NCCCC[C@@H](Nc1c(N)cccc1C(N)=O)C(=O)O 2289603153 ZFAZEXOGUXYPPB-SNVBAGLBSA-N 280.328 0.362 10 10 CCCE [N-]=[N+]=NCCN[C@@H](C(N)=O)c1snnc1C1CC1 2314887454 IVKYOXWFWNYBDX-SSDOTTSWSA-N 267.318 0.842 10 10 CCCE C[C@@H](N[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O)c1ccc(F)cc1O 2329650855 MPNCZYURVKKOJY-ULEGWKDBSA-N 271.288 0.037 10 10 CCCE C[C@H](O)c1ccc(N2CC(O)(CN(C)C)C2)cc1O 2343628971 VGNIMGRJEQMNKT-JTQLQIEISA-N 266.341 0.558 10 10 CCCE O=[N+]([O-])c1ccc(O)c(CN2CCS(=O)CC2)c1 171928042 CTVGCBXHXFWSBN-UHFFFAOYSA-N 270.310 0.865 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N3C[C@@H]4C[C@@H]4[C@@H]3CO)ccc21 2357561590 WPHBFQLQPKIVMC-XBEUXYKBSA-N 273.336 0.716 10 10 CCCE CCNCc1cc(F)c(N2C[C@@H](O)[C@H](CO)C2)c(F)c1 316241204 DSFILRWIDFKBCN-GXFFZTMASA-N 286.322 0.864 10 10 CCCE Cn1nnc2c(NCc3ccc(N)cc3)ncnc21 1162787789 QTXQQPPTSFARSN-UHFFFAOYSA-N 255.285 0.953 10 10 CCCE N=[N+]=C1C=C(S(=O)(=O)O)c2ccccc2C1=O 43794429 SKINSMOCZLGSMA-UHFFFAOYSA-O 251.243 0.792 10 10 CCCE C[C@@H]1CN(C)CCN1C(=O)c1cccc(O)c1O 229165305 BFVSPTDFMBJNLJ-SECBINFHSA-N 250.298 0.874 10 10 CCCE C[C@@H](CS(C)(=O)=O)NC(=O)c1ccc(O)c(O)c1 227030124 GBBXMZGDZAUBFJ-ZETCQYMHSA-N 273.310 0.261 10 10 CCCE CCCn1c(N)c(NCc2ccccc2O)c(=O)[nH]c1=O 133738519 FBVCICIAFLFMCP-UHFFFAOYSA-N 290.323 0.847 10 10 CCCE C[C@H](N[C@@H]1CCN(C)C1=O)c1cc(O)ccc1O 230972337 UXHZFRMDVRTIPE-GZMMTYOYSA-N 250.298 0.979 10 10 CCCE CC(C)(CNC(=O)Nc1ccc(N)cc1)C(N)=O 230400773 HTKQKPFHZPFLPC-UHFFFAOYSA-N 250.302 0.902 10 10 CCCE O=C1N[C@@H](c2cccc(Cl)c2O)N2CCOC[C@H]12 93885274 VPCLDOCJSHHKLY-MWLCHTKSSA-N 268.700 0.875 10 10 CCCE O=C1NC(=S)c2nc(-c3cccnc3)[nH]c2C1=S 247796438 CUQITBPAKYCFKI-UHFFFAOYSA-N 274.330 0.995 10 10 CCCE COc1cccc(CNC(=O)[C@]2(C)CCC(=O)NC2)c1O 282916372 XNUQLSCQCNBBGU-OAHLLOKOSA-N 292.335 0.933 10 10 CCCE CC(=O)C(=O)COC(=O)[C@H]1C[C@H](c2ccccc2)OC1=O 808585005 BLASHHVDNIRLNK-DGCLKSJQSA-N 290.271 0.992 10 10 CCCE CN(C[C@H]1C[C@@H](O)C1)c1ccc2c(c1)NC(=O)[C@H]2N 703818601 WFOCDEJTFZNFPX-PLMOITTCSA-N 261.325 0.846 10 10 CCCE COc1cccc(N(C)C(=O)C2=C[C@H](O)[C@H](N)C2)c1 2131476685 MUPGQXTYXMQGII-OLZOCXBDSA-N 262.309 0.676 10 10 CCCE COc1ccc2c(c1)CCN2Cc1cn(CC(N)=O)nn1 838781149 PTBRDFFRKQLUHG-UHFFFAOYSA-N 287.323 0.335 10 10 CCCE CNS(=O)(=O)CCNC/C=C\c1ccc(N(C)C)cc1 835046379 VSHMJQNYMAXPAF-PLNGDYQASA-N 297.424 0.905 10 10 CCCE O=C(NCC[C@@]1(O)CCOC1)NCc1ccccc1O 844935540 DTUDRROOYGDMKM-CQSZACIVSA-N 280.324 0.733 10 10 CCCE COc1ccc(N(C)CCN(C)C(=O)CNC(N)=O)cc1 846447099 RCENGJSUSVLGLF-UHFFFAOYSA-N 294.355 0.258 10 10 CCCE COCc1nc(C(=O)Nc2ccc(N)cc2)n(C)n1 857763336 XYNQAXNTELGAGD-UHFFFAOYSA-N 261.285 0.796 10 10 CCCE CN1C[C@@H](NC(=O)N2Cc3cccc(O)c3C2)CC1=O 875349625 DZICGRQQNURHBK-JTQLQIEISA-N 275.308 0.648 10 10 CCCE Cc1cnc([C@H]2NCCc3c2ccc(O)c3O)c[n+]1[O-] 75793905 ORAAYKZNDDCDIJ-ZDUSSCGKSA-N 273.292 0.670 10 10 CCCE N[C@H](c1nnc(-c2nc[nH]n2)o1)c1ccccc1O 83429603 XQJOZHSRXPFSGY-QMMMGPOBSA-N 258.241 0.608 10 10 CCCE COCCOCc1nnc([C@@H](N)c2ccccc2O)o1 83589086 YFLRRRANXAPNMP-LBPRGKRZSA-N 279.296 0.986 10 10 CCCE Oc1c(CN[C@@H]2COCC[C@H]2O)ccc(F)c1F 710901857 GBPJHHYYAIRXEG-NXEZZACHSA-N 259.252 0.910 10 10 CCCE O=C(N[C@@H]1C[C@@H]2C[C@]2(C(=O)O)C1)c1cc(O)nc(O)c1 712963611 ODGSELYTVPSKFO-RBDZCENOSA-N 278.264 0.476 10 10 CCCE Nc1ccc(OCC(=O)OCCN2CCCC2=O)cc1 692238555 IWCDELOCEPLMAS-UHFFFAOYSA-N 278.308 0.813 10 10 CCCE CN(C)C[C@@H](CO)NC(=O)CCOc1ccc(N)cc1 716723292 MARFVDYDTMTKAS-LBPRGKRZSA-N 281.356 0.076 10 10 CCCE CN(C(=O)CN1CCS[C@@H](CO)C1)c1ccc(N)cc1 719995774 WTMXUQFSXGNRKO-CYBMUJFWSA-N 295.408 0.641 10 10 CCCE C[C@H](c1ccc(O)cc1O)N1CCO[C@H]2CNC[C@H]21 686535746 GLUUZROTAAZDJK-IUPBHXKESA-N 264.325 0.831 10 10 CCCE O=C(Cn1ccccc1=O)NCc1ccc(O)cc1O 1142530836 UIKZGXLHKLOPTD-UHFFFAOYSA-N 274.276 0.576 10 10 CCCE NCc1cc(F)c(N2[C@H]3CC[C@H]2C(=O)NC3)c(F)c1 2115749052 VMDCKHYLOJPODI-KWQFWETISA-N 267.279 0.891 10 10 CCCE OC[C@H]1CN(c2ccc3c(c2)CC[C@H]3O)CC[C@H]1O 2128322320 PYFKAXSCEHWNSF-KCPJHIHWSA-N 263.337 0.846 10 10 CCCE N[C@H]1CCc2cc(N3C[C@H]4C[C@H]3[C@@H](O)[C@@H]4O)ccc21 2128322333 QCLPIYXDUHSAHT-FDHZTJNISA-N 260.337 0.563 10 10 CCCE CN1CCCC[C@H](C(=O)NCc2cc(O)ccc2O)C1=O 1176754306 AOUNCBGZDRPRPZ-GFCCVEGCSA-N 292.335 0.973 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@H]2[C@@H]1C[C@H]2O 2121675628 YIDIDKVRPASLBC-JBLDHEPKSA-N 263.293 0.622 10 10 CCCE C[C@@H](O)c1ccc(N2CC3(C2)OC[C@H](O)[C@@H]3O)cc1 2127262126 AGBZLNJNLMHHAN-ICCXJUOJSA-N 265.309 0.051 10 10 CCCE Cc1nn[nH]c1CNC(=O)c1cc(O)c(O)c(O)c1 2132409545 GOJYHLBFQOCEBY-UHFFFAOYSA-N 264.241 0.160 10 10 CCCE C[C@@H]1[C@H](O)CCN1c1ccc2c(c1)N(C)C(=O)[C@@H]2N 1914305470 RZZVPMUIWOIMTQ-BZHVJNSISA-N 261.325 0.622 10 10 CCCE CS(=O)(=O)N1CCC(N2CC(N=[N+]=[N-])C2)CC1 1912163496 KNHDIJCHUJUPLG-UHFFFAOYSA-N 259.335 0.405 10 10 CCCE C[C@@H]1CN(C(=O)CN(C)CCCN=[N+]=[N-])CCO1 1912167889 QHLKDULBFNWMFH-SNVBAGLBSA-N 255.322 0.866 10 10 CCCE COC(=O)[C@]1(NCCCN=[N+]=[N-])CCNC[C@H]1OC 1912146453 BIMYAEZIKRVGRS-KOLCDFICSA-N 271.321 0.197 10 10 CCCE CCCO[C@@H]1CS(=O)(=O)C[C@H]1N1CC[C@@H](N=[N+]=[N-])C1 1912185647 SYVFRQQAEJXECM-GMTAPVOTSA-N 288.373 0.963 10 10 CCCE CCOC(=O)[C@@H](O)CN1CCC[C@@H](CN=[N+]=[N-])C1 1912211306 VJEKLBDFMSNHEI-UWVGGRQHSA-N 256.306 0.933 10 10 CCCE CCN[C@H](C)c1ccc(N2CC(O)(C(N)=O)C2)cc1 1915248788 MCWAVFZBOILHTK-SNVBAGLBSA-N 263.341 0.394 10 10 CCCE CN(C(=O)[C@H]1CNc2ccccc2N1)[C@@H]1CCNC1=O 1916787074 GUSBZYIARRCDRG-VXGBXAGGSA-N 274.324 0.240 10 10 CCCE C[C@@H]1OCC[C@]1(O)CNC(=O)Cc1ccc(O)c(O)c1 1556391443 KIGASSRKLHZMAL-XPTSAGLGSA-N 281.308 0.296 10 10 CCCE CCN(C)CCNC(=O)[C@H]1CNc2ccccc2N1 229880709 PSDBDQVQQQJJBO-CYBMUJFWSA-N 262.357 0.961 10 10 CCCE CN[C@H]1COC[C@@H]1C(=O)NCc1cccc(C)c1O 2139763454 ZGDCZNRWTHCARO-RYUDHWBXSA-N 264.325 0.551 10 10 CCCE COc1cccc(CNC(=O)[C@]2(O)CCOC2)c1O 1595799946 KZMXMDAXMSIMNT-ZDUSSCGKSA-N 267.281 0.168 10 10 CCCE CCCNCc1ccc(N2C[C@@H](O)[C@H](O)C2)c(F)c1 233113294 SBZPQDWHMCXNJD-ZIAGYGMSSA-N 268.332 0.867 10 10 CCCE CN(C)C(=O)[C@@H]1CNCCN1Cc1cc(F)ccc1O 234237858 ODKBQHPUJKGRFF-LBPRGKRZSA-N 281.331 0.393 10 10 CCCE Cc1cccc(CNC[C@@H]2CCS2(=O)=O)c1O 1945535405 VXVJPRTZCKCCNI-NSHDSACASA-N 255.339 0.977 10 10 CCCE C[C@H]1C[C@@H](N)CN1c1cc2c(cc1N)OCC(=O)N2 1876389972 MGXGHWSSZHJRAT-JGVFFNPUSA-N 262.313 0.526 10 10 CCCE C[C@H](CN)NC(=O)c1ccn(-c2ccc(N)cc2)n1 1876521784 RVXLGYBYMWKDRY-SECBINFHSA-N 259.313 0.532 10 10 CCCE CC(=O)C(=O)[C@@H](O)C[C@@H](C)NC(=O)OC(C)(C)C 1886449491 RKWHBCYXFGGMFI-APPZFPTMSA-N 259.302 0.809 10 10 CCCE O=C(O)[C@@H]1C(=O)NCC[C@H]1c1cc(O)c(O)c(O)c1 1952080565 BLUNCLFKOVGSNL-RCOVLWMOSA-N 267.237 0.108 10 10 CCCE COc1cccc(CNCC2(C(N)=O)CC2)c1O 1972479059 UOKGHEKXZKIWIM-UHFFFAOYSA-N 250.298 0.756 10 10 CCCE CCS(=O)(=O)C[C@](C)(NCCN=[N+]=[N-])C(=O)O 2003975808 WQFLNMIDJVITPC-QMMMGPOBSA-N 264.307 0.164 10 10 CCCE NC(=O)[C@H]1CC[C@@H](NCc2cc3c(cc2O)OCO3)C1 2146211911 OYBAHORWFGWVLA-WCBMZHEXSA-N 278.308 0.865 10 10 CCCE CN(C)C(=O)[C@H]1CCCN1C(=O)Cc1ccc(N)cc1 36798859 ATPHBBOKNMZBAT-CYBMUJFWSA-N 275.352 0.891 10 10 CCCE CN1CCC[C@@H](Cn2ccc3c(c2=O)CNCC3)C1=O 2154187575 OLSIHORIRGHVCA-LBPRGKRZSA-N 275.352 0.362 10 10 CCCE NCc1ccc(N2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)cc1 2028424326 POOXWTWPKJHYIX-WCQYABFASA-N 266.366 0.769 10 10 CCCE CN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(O)c(O)c2)C1 2028481399 NQQPSUNZMUIRMU-PSASIEDQSA-N 250.298 0.920 10 10 CCCE C[C@H](N)c1ccc(N2CC(S(C)(=O)=O)C2)cc1O 2034838884 MVSMZHMLKOQGIX-QMMMGPOBSA-N 270.354 0.645 10 10 CCCE CNC(=O)CN(C)c1ccc(CNCCOC)cc1F 62735635 FSBWEHHMOUKBPB-UHFFFAOYSA-N 283.347 0.744 10 10 CCCE CCOC(=O)CS(=O)(=O)N1CCC[C@H](N=[N+]=[N-])C1 403658092 KSNZMEDEDCLHHQ-QMMMGPOBSA-N 276.318 0.654 10 10 CCCE CCNC(=O)NCCNC(=O)Nc1ccc(N)cc1 311862603 VKTXWEHKZJRLSZ-UHFFFAOYSA-N 265.317 0.709 10 10 CCCE CNc1ncc([N+](=O)[O-])c(-c2ccn(C)c(=O)c2)n1 314860946 YTBHILPWWKKTDF-UHFFFAOYSA-N 261.241 0.792 10 10 CCCE CNC(=O)N[C@@H]1CCCN(Cc2cc(N)ccc2O)C1 702150197 PGMCJXZSUBBGSU-GFCCVEGCSA-N 278.356 0.868 10 10 CCCE NC(=O)CC1CN(CCC(=O)Nc2ccc(N)cc2)C1 382078994 IAWTZAAZXCUSQH-UHFFFAOYSA-N 276.340 0.405 10 10 CCCE Oc1ccc(CNCC[C@@H](O)C(F)F)c(O)c1O 716780490 VFXURYOVEPHAGE-MRVPVSSYSA-N 263.240 0.909 10 10 CCCE COC[C@@](C)(CN)NC(=O)c1ccc(O)c(O)c1 716883320 AVHUOTGZXFOOKY-GFCCVEGCSA-N 254.286 0.191 10 10 CCCE CC1(C)CN(C(=O)[C@@H](N)Cc2ccc(O)c(O)c2)C1 389275311 IZPFSJGZCSFGIM-JTQLQIEISA-N 264.325 0.836 10 10 CCCE CNCc1ccc(N2CC3(CNC(=O)N3C)C2)c(F)c1 2177692600 YVNZBGIRKFGFEZ-UHFFFAOYSA-N 278.331 0.759 10 10 CCCE COc1ccc(O)c([C@H](C)NC2CN(CC(=O)O)C2)c1 2169316977 XNJASKJNZKIPFF-VIFPVBQESA-N 280.324 0.820 10 10 CCCE Nc1ccc(OCCN2CCN(CCCO)CC2)cc1 2169931458 CVECBPKGJARGBE-UHFFFAOYSA-N 279.384 0.648 10 10 CCCE O=[N+]([O-])c1cc(N2C[C@H](O)[C@@H]3COC[C@H]32)ccc1CO 2188575952 KXNJVVKWBGLZJW-RTXFEEFZSA-N 280.280 0.283 10 10 CCCE COc1ccc(N2CCNC[C@H]2C(=O)O)cc1F 2044288072 BMHQGUHSOUTNDF-JTQLQIEISA-N 254.261 0.697 10 10 CCCE C[C@@]1(C(=O)C(=O)C[C@H]2C[C@H](N)C2)C[C@H](N)CCO1 2049783780 APLHBWSPBXUERA-PRFIWBCESA-N 254.330 0.148 10 10 CCCE COc1ccc(N2CCOC[C@@]2(C)CO)c(N)c1 2049942616 JXGMVKJZCDTFTG-CYBMUJFWSA-N 252.314 0.865 10 10 CCCE Nc1ccc(NC(=O)N[C@@H]2[C@H](N)[C@H]3CCCO[C@H]32)cc1 2191538773 MUDQIMNPVASRCD-FDYHWXHSSA-N 276.340 0.895 10 10 CCCE O=C1NC[C@H](CNC(=O)[C@H]2CNc3ccccc3N2)O1 2186495121 BXLHNIPUQXOLEF-GZMMTYOYSA-N 276.296 0.117 10 10 CCCE NC(=O)c1cccc(N)c1N[C@H]1CCOC[C@H]1F 2066667700 HBTFANUPVTVXPE-SCZZXKLOSA-N 253.277 0.907 10 10 CCCE O=C(NCc1ncon1)c1cc(O)c(O)c(O)c1 2068575814 FQIDXDULHPSVLB-UHFFFAOYSA-N 251.198 0.116 10 10 CCCE CC(C)[C@H](O)CNC(=O)c1cc(O)c(O)c(O)c1 2068579120 WBRZWPOYQILQGQ-SNVBAGLBSA-N 255.270 0.550 10 10 CCCE Nc1cccc(C(=O)O)c1N[C@@H]1COCC[C@@H]1N 2071696563 ZITLLCVPDCQDQC-WCBMZHEXSA-N 251.286 0.495 10 10 CCCE CCOC(=O)[C@H](O)CN[C@H](C)c1ccccc1O 2072475111 FIZMAVIJSYCZDY-BXKDBHETSA-N 253.298 0.967 10 10 CCCE O=S(=O)(NCCNCc1ccc(O)cc1O)C1CC1 2102332785 LXMUQCUEZYMYFQ-UHFFFAOYSA-N 286.353 0.269 10 10 CCCE O=C(NCc1ccccc1O)[C@@H]1CO[C@H]2CNC[C@@H]12 2104622878 XPQXBQZXPPVXLQ-LOWVWBTDSA-N 262.309 0.243 10 10 CCCE C[C@H]1CNC[C@@H]1CS(=O)(=O)NCc1ccccc1O 2087407945 JKMJYLXGYXFEOH-CMPLNLGQSA-N 284.381 0.667 10 10 CCCE CCN(CC)C(=O)Cn1ccc2c(c1=O)CNCC2 2094406104 BTAYWRSPHCPJBG-UHFFFAOYSA-N 263.341 0.362 10 10 CCCE CC[C@@]1(CO)COCCN1Cc1cc(N)ccc1O 2112708850 SMLNEZLPVAQJDK-CQSZACIVSA-N 266.341 0.948 10 10 CCCE CNS(=O)(=O)[C@@H]1CCN(c2ccc(OC)cc2N)C1 2114172926 MDLGUCSPKDGGPZ-SNVBAGLBSA-N 285.369 0.405 10 10 CCCE OCc1cc(F)c(N2CCC[C@@H]2[C@@H](O)CO)c(F)c1 2123173218 UONJAJZKYDHYDL-NEPJUHHUSA-N 273.279 0.779 10 10 CCCE Nc1ccc(NC(=O)CCN2C[C@H]3C[C@H]2[C@H]3CO)cc1 2203128022 GFDPKFCVPVVQDU-SWHYSGLUSA-N 275.352 0.910 10 10 CCCE Nc1ccc(OCC(=O)N[C@@H]2CCC[C@@H](O)[C@@H]2O)cc1 2232558124 ZHIUVOSRLOLRAX-YRGRVCCFSA-N 280.324 0.038 10 10 CCCE NCCc1n[nH]cc1C(=O)N1CCCc2cnccc21 2235318261 MKXCIZAQHTYPQX-UHFFFAOYSA-N 271.324 0.899 10 10 CCCE OC[C@]12CN(c3ccc4c(c3)CCO4)C[C@@]1(CO)C2 2226753832 AJJHSWWXWGKLDI-GASCZTMLSA-N 261.321 0.803 10 10 CCCE COc1ccc(N2CCC[C@](O)(C(N)=O)C2)c(C)c1 2226755801 WXHZLEZELSOAAC-CQSZACIVSA-N 264.325 0.820 10 10 CCCE COc1ccc(N2CC[C@@](C)(O)[C@H](O)C2)c(CN)c1 2227680879 CNIPEXNTQAMBQC-ZIAGYGMSSA-N 266.341 0.476 10 10 CCCE CSc1ncc(CNS(=O)(=O)[C@@H](C)CN)s1 2243767488 JDXSMFYOVYNKSY-LURJTMIESA-N 281.428 0.632 10 10 CCCE CC(C)[C@H]1NCC[C@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 2253705505 DGIUPJQOIWUINB-PRULPYPASA-N 252.358 0.886 10 10 CCCE Nc1ccc(CN2C(=O)[C@@H]3CC[C@H]3S2(=O)=O)cc1 2256111292 MBRAHCMTEGROJW-GHMZBOCLSA-N 266.322 0.719 10 10 CCCE C[C@@H](N)c1ccc(N2CC[C@H]2[C@@H](O)CO)c(F)c1 2258343904 DOHDOANFWPYDTF-JCOFBHIZSA-N 254.305 0.777 10 10 CCCE O=C(CN1CC[C@H](O)[C@@H](O)CC1)c1ccc(O)c(O)c1 2284568704 YFFYGYUKGPUYIX-RYUDHWBXSA-N 281.308 0.098 10 10 CCCE COc1ccc(N2CC[C@](O)(C(N)=O)C2)c2c1CCC2 2284606373 LGWSUOLDZZYBFI-OAHLLOKOSA-N 276.336 0.610 10 10 CCCE CNC=C1C(=O)NC(=O)N(c2ccc(C)cc2C)C1=O 2297534388 SDCLNXLOEDQNGD-UHFFFAOYSA-N 273.292 0.990 10 10 CCCE [N-]=[N+]=N[C@H]1CCCN([C@@H]2CN(C3CC3)C[C@H]2O)C1 2308494464 ATFSBKVNIDVUQL-MVWJERBFSA-N 251.334 0.969 10 10 CCCE Cc1cc(N2C[C@@H]3C[C@H]2[C@@H](O)[C@H](O)C3)ccc1CO 2330387709 XUAAWPOWYPYRDB-AQNFWKISSA-N 263.337 0.808 10 10 CCCE CN(C)S(=O)(=O)CCCNCc1ccc(O)cc1O 2341867696 CTINSDWWBAJSCU-UHFFFAOYSA-N 288.369 0.469 10 10 CCCE CCn1nnc(CNCc2ccc(OC)cc2O)n1 1893039809 FDYPZQGQMMZDAU-UHFFFAOYSA-N 263.301 0.697 10 10 CCCE CSCC(=O)N(CC(N)=O)Cc1ccc(N)cc1 70435247 CIAMBSKPWZVEDC-UHFFFAOYSA-N 267.354 0.446 10 10 CCCE CSCCNS(=O)(=O)CCOc1ccc(N)cc1 70490916 GIYPZWQBARJGJV-UHFFFAOYSA-N 290.410 0.930 10 10 CCCE COC(=O)[C@@H]1C[C@@H](O)CN1Cc1cc(F)ccc1O 187570022 HZWJSEMRARRVPL-MNOVXSKESA-N 269.272 0.640 10 10 CCCE O=C(CN1C(=O)CSC1=S)NCc1ccco1 82304998 CVFQVKFNBPPBTH-UHFFFAOYSA-N 270.335 0.756 10 10 CCCE C[C@@H]1CCC[C@@H](C)N1C(=O)C[C@H]1C(=O)NN(C)C1=O 243167321 JSTJANOJXKDAAO-BBBLOLIVSA-N 267.329 0.285 10 10 CCCE CC(=O)C(=O)COC(=O)c1n[nH]c2c1CCCCC2 808540580 XWEPYUGZARTYJT-UHFFFAOYSA-N 264.281 0.994 10 10 CCCE CCOc1ccc(N2CCN[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 2162669608 XCJOYSHJAGBDDR-KGLIPLIRSA-N 296.392 0.661 10 10 CCCE CO[C@@H]1CN(c2cc3c(cc2N)OCCO3)C[C@H]1O 395919529 DGFVBEUTLWLUTG-ZWNOBZJWSA-N 266.297 0.236 10 10 CCCE NC(=O)N1CCN(Cc2cc3c(cc2O)OCO3)CC1 722179992 FQEKBZNPRWGNOK-UHFFFAOYSA-N 279.296 0.317 10 10 CCCE CC(=O)N1CCO[C@@H](C(=O)Nc2ccc(N)cc2)C1 911661561 XACCHVOONYDAAY-GFCCVEGCSA-N 263.297 0.455 10 10 CCCE C[C@@H](NC(=O)[C@H](O)C(C)(C)O)c1ccccc1O 913763645 MQJJJDOXRQOKDV-KCJUWKMLSA-N 253.298 0.701 10 10 CCCE CN1C(=O)[C@@H](O)c2ccc(N3C[C@@H]4C[C@H](C3)O4)cc21 1899716157 NBGKZYUBKYBFLA-CWSCBRNRSA-N 260.293 0.674 10 10 CCCE COc1ccc(CN[C@@H]2CCCNC2=O)c(O)c1 50395485 WSFMWURDDLDBQL-LLVKDONJSA-N 250.298 0.769 10 10 CCCE CON1CC[C@@H](OC(=O)c2cc(O)cs2)C1=O 922435702 BLPYGHQOEDOEKO-SSDOTTSWSA-N 257.267 0.773 10 10 CCCE COc1ccc(N(C)[C@H]2CCN(CC(=O)O)C2=O)cc1F 852726117 HSHSRWXRHVHHRD-NSHDSACASA-N 296.298 0.956 10 10 CCCE CN1CCOC[C@H]1CNC(=O)NCc1ccccc1O 858841297 RHCAFZZHOMYPIZ-GFCCVEGCSA-N 279.340 0.522 10 10 CCCE N[C@@H](C(=O)NCCCCCO)c1ccccc1O 83392612 WLEGWGDDWKHGJY-GFCCVEGCSA-N 252.314 0.671 10 10 CCCE CNCc1nnc([C@H](N)c2cccc(OC)c2O)o1 83463259 CRDZIRLESZHXEQ-SNVBAGLBSA-N 264.285 0.551 10 10 CCCE CS(=O)(=O)N[C@H]1CCN(c2ccc(CN)cc2)C1 703002967 KZOLXOYPRMYYBH-NSHDSACASA-N 269.370 0.273 10 10 CCCE CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1OCC[C@H]1N 703176919 DZNOGHDJGNWQCJ-ZIAGYGMSSA-N 277.368 0.827 10 10 CCCE O=C(N[C@H]1CCCC2(C1)OCCO2)c1cc(O)nc(O)c1 715697095 XUBFCCDVQOHPGQ-JTQLQIEISA-N 294.307 0.908 10 10 CCCE C[C@H](c1ccccc1O)N(C)C(=O)COCCN 93231680 VUIMPWRNCBKTRG-SNVBAGLBSA-N 252.314 0.887 10 10 CCCE Cn1cncc1[C@H](CO)NC(=O)c1c(F)ccc(O)c1O 1161646175 MGPVOKXIMAHCSF-QMMMGPOBSA-N 295.270 0.434 10 10 CCCE CN=c1nc(Cl)[nH]c(=NCCc2ccc(N)cc2)[nH]1 2117368528 MJACCRWNCZSJNK-UHFFFAOYSA-N 278.747 0.647 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)C(F)(F)C2CCNCC2)C1 2115662417 IVNFOAHEQUGOLS-CZMCAQCFSA-N 274.311 0.887 10 10 CCCE Cc1cc(N2C[C@@H]3OC[C@H](CO)[C@@H]3C2)ccc1CO 2121592596 MWFZDJJGXLSUBB-QEJZJMRPSA-N 263.337 0.931 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@@H]3C[C@H]3[C@@H]2CO)cc1 1905554816 FMAYYKXFLLNGCB-UHTWSYAYSA-N 282.365 0.411 10 10 CCCE CCCN(CC(=O)O)C(=O)c1cc(O)c(O)c(O)c1 2132348492 MPLVREPFZJQQAE-UHFFFAOYSA-N 269.253 0.740 10 10 CCCE O=C(N[C@@H]1[C@@H]2CCOC[C@H]21)c1cc(O)c(O)c(O)c1 2132417889 GICOHSNOGXFFOY-SOCHQFKDSA-N 265.265 0.568 10 10 CCCE N[C@H](CC(=O)C(=O)C[C@H]1C[C@H](N)C1)C(F)(F)F 1908661743 NMZJVSHMRSPIJP-HCVRKRLWSA-N 252.236 0.532 10 10 CCCE NCc1ccc(N2CC[C@H]3C[C@H]2[C@H](O)[C@@H]3O)c(F)c1 2134814470 DMQXAMSDNKVJGN-WTDIUWLJSA-N 266.316 0.605 10 10 CCCE O=C(c1cccc(O)c1O)N1CCC[C@H]2CNC[C@@H]21 221443072 SEARHASNRFLZSZ-ONGXEEELSA-N 262.309 0.922 10 10 CCCE Cc1c(C(=O)N2CC(N=[N+]=[N-])C2)cnc2ncnn12 1912171485 LEPMDABWRLJAQB-UHFFFAOYSA-N 258.245 0.567 10 10 CCCE [N-]=[N+]=N[C@@H]1CCN(C(=O)[C@H]2CCCCS2(=O)=O)C1 1912192607 HZTKIYKJVSCDGZ-RKDXNWHRSA-N 272.330 0.865 10 10 CCCE C[C@@H](C(=O)Nc1ccc(N)cc1)N(CCO)C1COC1 1915544506 MMJVBXYXVIIVDA-JTQLQIEISA-N 279.340 0.289 10 10 CCCE CN1C(=O)CS/C1=C/C(=O)NCc1ccc(O)c(O)c1 1445904038 UZHVJBVEJHVUMD-WLRTZDKTSA-N 294.332 0.761 10 10 CCCE O=C(O)[C@H]1CN(c2ccc3c(c2)OCCO3)CCN1 217060056 LOPWDLSDBAHBNC-SNVBAGLBSA-N 264.281 0.321 10 10 CCCE O=C(O)[C@H]1C[C@H](O)CN(Cc2ccc(O)cc2O)C1 2136341150 YXAHVXPOTHHLLK-ONGXEEELSA-N 267.281 0.365 10 10 CCCE COc1cc(OC)c2c(c1)[C@](N)(C(=O)O)CCN2C 212084938 UQLHEQBOOICOBN-ZDUSSCGKSA-N 266.297 0.782 10 10 CCCE C[C@H]1CC[C@](O)(CNC(=O)c2cc(O)nc(O)c2)C1 2136897706 GJRBVUPRQWMVPH-ISVAXAHUSA-N 266.297 0.774 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H](OCCO)C1 1567610069 OXSQDCVDUOSCHC-LBPRGKRZSA-N 295.335 0.640 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@@H](c2nn[nH]n2)C1 1588221933 POYIOHKIBXOYGC-SECBINFHSA-N 289.295 0.170 10 10 CCCE COC[C@H](ON)C(=O)NCc1cnc(SC)s1 2248646837 MHDVCHXJUNAWJM-ZETCQYMHSA-N 277.371 0.387 10 10 CCCE COCCNC(=O)CNCc1ccc2c(c1)CCN2C 135425264 ZJYBIZDMEMXPCN-UHFFFAOYSA-N 277.368 0.531 10 10 CCCE O[C@@H]1[C@H](O)CN(c2ccc3c(c2)CC[C@H]3O)[C@H]1CF 2140655322 RVNZFTIZHUOUGJ-DGAVXFQQSA-N 267.300 0.546 10 10 CCCE CNC(=O)[C@H](C)CN(C)CC(=O)Nc1ccc(N)cc1 234373225 IYBQPDGPGJBIGJ-SNVBAGLBSA-N 278.356 0.521 10 10 CCCE Nc1ccc(NC(=O)NC[C@H]2C[C@@H](O)CCO2)cc1 1876149294 LZTKLVPVERVACF-NWDGAFQWSA-N 265.313 0.930 10 10 CCCE Nc1ccc(CCC(=O)N2C[C@@H]3[C@H](C(=O)O)[C@@H]3C2)cc1 2144157607 HLTJWTCHRDYRFZ-DABQJJPHSA-N 274.320 0.990 10 10 CCCE CCN[C@@H](c1ccccc1O)[C@@](C)(O)C1CS(=O)(=O)C1 2148158394 ZMAPESWRLYKNJV-KBPBESRZSA-N 299.392 0.838 10 10 CCCE CS(=O)(=O)[C@H]1CC[C@@H](NC(=O)c2ccc(O)c(O)c2)C1 2145395184 NFJJOJRCCVPRFZ-ZJUUUORDSA-N 299.348 0.793 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N(C)CC(F)(F)CO)ccc21 2150988914 DQKJRHZUBMLXLW-LLVKDONJSA-N 285.294 0.963 10 10 CCCE CNCc1ccc(N2CCOC[C@H]2[C@@H](O)CO)c(C)c1 2146325562 HEIWSNWZONKXGQ-GJZGRUSLSA-N 280.368 0.273 10 10 CCCE CCN1CCN(C[C@H](O)COc2ccc(N)cc2)CC1 36669979 WQRUVDBJPHVEBN-AWEZNQCLSA-N 279.384 0.646 10 10 CCCE Cn1c(O)nc(Sc2ncc(C=O)s2)nc1=O 1996424384 GLPXVTMJSGYKOS-UHFFFAOYSA-N 270.295 0.301 10 10 CCCE C[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)C[C@H]1CN 163623542 XEJCMRUMWYXMFJ-PSASIEDQSA-N 265.313 0.550 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCc1cn[nH]c1 40468945 INPXGCUFMIFDHE-JTQLQIEISA-N 276.296 0.007 10 10 CCCE O=C(Nc1csnn1)c1cc(O)c(O)c(O)c1 2015074835 LIHGZLZADCUSJD-UHFFFAOYSA-N 253.239 0.907 10 10 CCCE NC(=O)C1(NC(=O)COc2ccc(N)cc2)CCCC1 2154482214 RIJOTKJIFJAECU-UHFFFAOYSA-N 277.324 0.562 10 10 CCCE CCNCCNS(=O)(=O)Cc1ccc(N)cc1 2016963600 GWYYHBXFXHBPQZ-UHFFFAOYSA-N 257.359 0.298 10 10 CCCE Nc1ccc(CCCN2C[C@H](O)C[C@@H]2CO)cc1 2030145119 RSIMDHWOHOFWFG-ZIAGYGMSSA-N 250.342 0.629 10 10 CCCE CO[C@]1([C@@H](O)[C@@H](N)c2ccccc2O)CCOC1 2034006032 DDGYFTFQKKICJG-RWMBFGLXSA-N 253.298 0.558 10 10 CCCE C[C@@H](c1c(O)cccc1O)N1CCOC[C@H]1CN 2035628475 IFSBLEMSLHNMDY-VHSXEESVSA-N 252.314 0.818 10 10 CCCE C[C@H](c1c(O)cccc1O)N1CCNC[C@H]1C(=O)O 300443780 ZJQJFPFZNCFQGQ-BDAKNGLRSA-N 266.297 0.517 10 10 CCCE CN1CCc2cc(CN3C[C@H](N)[C@H]4COC[C@H]43)ccc21 2158356271 DOAJLTCSXRCKOH-IJEWVQPXSA-N 273.380 0.837 10 10 CCCE CN(C)c1ccc([C@H](O)[C@H]2Cn3cnnc3CN2)cc1 2163066046 IAJWCYTWJOXKNV-OCCSQVGLSA-N 273.340 0.550 10 10 CCCE Cc1ccn(CC(=O)N(C)c2ccc(N)cc2)c(=O)n1 379633844 DPYSEFYXEPYFQM-UHFFFAOYSA-N 272.308 0.797 10 10 CCCE NC(=O)N[C@@H]1CCN(c2cc3c(cc2N)OCCO3)C1 690754331 JCESQSWZIWGRAB-MRVPVSSYSA-N 278.312 0.287 10 10 CCCE O=C([C@@H]1CNc2ccccc2N1)N(CCO)CCCO 385942109 RCIXYODXOKGXCC-ZDUSSCGKSA-N 279.340 0.096 10 10 CCCE O=C([C@H]1CNc2ccccc2N1)N1C[C@H]2C[C@H]1CO2 387246172 CYGFEBUSEDYWFJ-OPQQBVKSSA-N 259.309 0.892 10 10 CCCE Nc1ccc(CC(=O)N2CCS[C@H](CO)C2)cc1 720007446 OWLJHPDFEWOOQY-LBPRGKRZSA-N 266.366 0.748 10 10 CCCE CN1CC2(CCN(CC(=O)c3ccc(O)c(O)c3)C2)C1 398697389 RPAOTOUFYYKOKF-UHFFFAOYSA-N 276.336 0.918 10 10 CCCE CN(Cc1ccc(N(C)C)cc1)CC(CO)(CO)CO 2179797042 CQFREXFKOFZHNI-UHFFFAOYSA-N 282.384 0.148 10 10 CCCE Nc1ccc(NC(=O)N[C@@H]2CNCC[C@@H]2O)cc1 2071563401 INDSMTGVWDQCBP-MNOVXSKESA-N 250.302 0.113 10 10 CCCE CCN1CCO[C@@H](C(=O)Nc2ccc(O)c(O)c2)C1 2063302588 WTOJKHJIQRMSBD-GFCCVEGCSA-N 266.297 0.757 10 10 CCCE N[C@@H]1CCOC[C@@H]1c1nc(-c2ccc(O)c(O)c2)no1 2176115836 TUGRMCKUTDYSGO-DTWKUNHWSA-N 277.280 0.979 10 10 CCCE CC[C@H](N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O)c1ccccc1O 2177944506 MNAQEIPBIPOFFP-IUBWNAFWSA-N 281.352 0.536 10 10 CCCE CCc1nn2c(O)cc(CC(=O)OC)nc2c1C(=O)OC 2080930398 PZJZOEJWEPVCAU-UHFFFAOYSA-N 293.279 0.499 10 10 CCCE Cc1cccc(O)c1CN1CCS(=O)(=O)[C@H](C(=O)O)C1 2197715597 UIEBZWQKZHZKCM-LBPRGKRZSA-N 299.348 0.384 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@H]3C[C@H](O)C[C@H]3C2)cc1 2185083373 PFQJYBLNBOFPTH-IMRBUKKESA-N 296.392 0.801 10 10 CCCE C[C@](O)(CCO)CNC(=O)Cc1ccc(N)cc1 2045286073 ZEHVLKQAWBJDJQ-ZDUSSCGKSA-N 252.314 0.061 10 10 CCCE C[C@H](N[C@@H]1C[C@H](O)C[C@@H]1O)c1c(O)cccc1O 2046491333 XDOHDGGRHAIGCC-UOKLYIGXSA-N 253.298 0.633 10 10 CCCE CC(C)(C)OC[C@H](N)C(=O)C(=O)C[C@H]1C[C@H](N)C1 2049783139 RPYWEXVJYNGZQS-GUBZILKMSA-N 256.346 0.394 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC[C@@H]3CNC[C@H]3C2)cc1 2191790164 DCKCLGUNNBOQAU-OLZOCXBDSA-N 295.408 0.640 10 10 CCCE [N-]=[N+]=NCCCN[C@]1(C(N)=O)COC2(CCC2)C1 2058571927 AFACWYJMBBIPDR-NSHDSACASA-N 253.306 0.844 10 10 CCCE CN1C[C@@H]2C[C@H](C1)N2CC(=O)N(C)c1ccc(N)cc1 2187624042 UZEVQTYZVVFDAY-OKILXGFUSA-N 274.368 0.620 10 10 CCCE CO[C@H]1C[C@@H]1CNC(=O)c1cc(O)c(O)c(O)c1 2068629128 OOPLEHHKARXOFF-XCBNKYQSSA-N 253.254 0.568 10 10 CCCE CC1(C)[C@H](O)[C@H](O)CN1c1ccc(CO)c([N+](=O)[O-])c1 2188575160 FPQQJPPACWYBMS-VXGBXAGGSA-N 282.296 0.408 10 10 CCCE CN(CC(N)=O)c1ccc(C=CC(=O)O)c([N+](=O)[O-])c1 2188571710 ITPMITXNLMJTNN-UHFFFAOYSA-N 279.252 0.614 10 10 CCCE C[C@@H](C(=O)O)S(=O)(=O)N[C@H](C)c1ccccc1O 2072482349 RQKWOLHFIDTFEN-SFYZADRCSA-N 273.310 0.846 10 10 CCCE Cc1cccc(N)c1N[C@H]1CNC[C@H]1S(C)(=O)=O 2072524618 DOXBRAVPXNLUJF-WDEREUQCSA-N 269.370 0.374 10 10 CCCE COC[C@](C)(CN)CNC(=O)c1cc(O)c(O)c(O)c1 2188909922 PJSMWTSXIUHSNG-CYBMUJFWSA-N 284.312 0.145 10 10 CCCE O=C(NC1C[C@H]2CNC[C@@H]2C1)c1cccc(O)c1O 2102636746 BSTQNQQWHOOKBI-IUCAKERBSA-N 262.309 0.826 10 10 CCCE Cc1cccc(CNS(=O)(=O)[C@H]2C[C@H](N)C2)c1O 2084063958 QKUGIUVHSWDMQW-XYPYZODXSA-N 270.354 0.610 10 10 CCCE Cc1cccc(CNS(=O)(=O)[C@H]2CCNC2)c1O 2084063203 LNBNOQMBYWXIOM-NSHDSACASA-N 270.354 0.482 10 10 CCCE COc1cccc(O)c1CN1C[C@@H](OC)C[C@@H]1CN 2104437382 FMTPSUIRMVUABS-MNOVXSKESA-N 266.341 0.949 10 10 CCCE N[C@H]1CC[C@@H](CS(=O)(=O)NCc2ccccc2O)C1 2087460565 SOVQVMLMXFDVCU-PWSUYJOCSA-N 284.381 0.939 10 10 CCCE COc1cc([C@H](O)C(=O)C(C)=O)cc(OC)c1OC 2090863361 XGUHUZFZULMZMH-LBPRGKRZSA-N 268.265 0.904 10 10 CCCE N[C@H](c1ccccc1O)[C@@]1(O)CCCS(=O)(=O)CC1 2091868235 QNYZWYOOHOMINX-CHWSQXEVSA-N 285.365 0.722 10 10 CCCE N[C@H]1CC[S@](=O)(=NC(=O)Cc2ccc(O)c(O)c2)C1 2098125059 AYABMFGYKGMWHD-ZRNGKTOUSA-N 284.337 0.366 10 10 CCCE O=C1N[C@H]2CN(Cc3ccc(F)c(F)c3O)C[C@@H]2O1 2120407538 VJAYXLIACHKQDU-IUCAKERBSA-N 270.235 0.963 10 10 CCCE CN1C(=O)[C@@H](O)c2ccc(N3C[C@H]4C[C@H]3[C@H]4CO)cc21 2203022879 XCLBDIGWLWAFEO-DWVUBDKYSA-N 274.320 0.513 10 10 CCCE Cc1cccc(CNc2nn(C)c(=O)n(C)c2=O)c1O 2204621153 LZYZKPUOLIDGCY-UHFFFAOYSA-N 276.296 0.105 10 10 CCCE COc1ccc(CN[C@H]2COC[C@H]2S(C)(=O)=O)cc1C 2207464683 IEJFXXREOKBKIU-GXTWGEPZSA-N 299.392 0.905 10 10 CCCE O[C@@H]1[C@H]2C[C@@H](CN(c3ccc4c(c3)COCC4)C2)[C@H]1O 2235077396 YVBOOFMKNKBJJY-YXAMBPQSSA-N 275.348 0.937 10 10 CCCE COc1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CO)cc1C(C)C 2235142889 IYYIVYSOBZKTEU-IPYPFGDCSA-N 281.352 0.721 10 10 CCCE N[C@]1(C(=O)C(=O)C[C@H]2C[C@H](N)C2)C[C@H]2CC[C@H]1C2 2256533349 OMCJKRBUWSPCTN-MMROJZCPSA-N 250.342 0.770 10 10 CCCE C[C@]1(O)[C@H]2C[C@@H]1CN(c1ccc3c(c1)NC(=O)[C@@H]3N)C2 2286245217 VLYODPFDOGQFIH-NWIKQPOISA-N 273.336 0.846 10 10 CCCE COC(=O)[C@]1(NCCCN=[N+]=[N-])C[C@H]2CO[C@H]1C2 2258384398 XKKHFLSCOLDFCA-QXEWZRGKSA-N 254.290 0.997 10 10 CCCE Nc1ccc(NC(=O)C[S@](=O)CC2COC2)cc1 2258834093 QAKKUWRPNPGPQU-GOSISDBHSA-N 268.338 0.602 10 10 CCCE CCn1cnnc1NS(=O)(=O)Cc1ccc(N)cc1 2271999823 FCFRKHDQTJFQAX-UHFFFAOYSA-N 281.341 0.822 10 10 CCCE CN(C)S(=O)(=O)[C@@H]1CCN(Cc2ccc(N)cc2)C1 2264623676 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NC(=O)c1cnc(Sc2nccc(C(=O)O)n2)s1 2318169085 MEABNOBFZPMIIZ-UHFFFAOYSA-N 282.306 0.881 10 10 CCCE O=CNCCCNC(=O)Nc1cc(O)c(O)c(O)c1 217278865 XMFWAWVQRQLEIU-UHFFFAOYSA-N 269.257 0.061 10 10 CCCE NC(=O)[C@@H]1CCCCN1c1cc2c(cc1N)OCC(=O)N2 42406122 STHCPXJIFZHBIF-JTQLQIEISA-N 290.323 0.444 10 10 CCCE CN(CCCC(=O)O)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 40481125 GLRYSKMEACEOIX-JTQLQIEISA-N 296.323 0.291 10 10 CCCE CC(C)CNC(=O)CNCc1ccc(O)c(O)c1 135905659 NNOVNNMHQXYQLU-UHFFFAOYSA-N 252.314 0.960 10 10 CCCE CCOC(=O)[C@@H](C)NC(=O)c1cc(O)nc(O)c1 49497285 WFQGVUOENFZNRO-ZCFIWIBFSA-N 254.242 0.174 10 10 CCCE Nc1cc(O)ccc1NS(=O)(=O)NCC(F)(F)F 236348902 OSZQLGCZSDRBCX-UHFFFAOYSA-N 285.247 0.783 10 10 CCCE CCN1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 243896461 RRROOZNDJQSTMT-UHFFFAOYSA-N 264.325 0.804 10 10 CCCE CC(=O)C(=O)COC(=O)c1cn(C(C)(C)C)nn1 808541577 YKJRTITZTTXMOH-UHFFFAOYSA-N 253.258 0.348 10 10 CCCE CC(=O)C(=O)COC(=O)c1ccc(N2CCOCC2)cc1 808510475 VBZRBRCVPDJGGR-UHFFFAOYSA-N 291.303 0.838 10 10 CCCE 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10 CCCE CN1CCCc2cc(CNC(=O)[C@H]3C[C@H]3C(N)=O)ccc21 1583628562 YRZXYQAQONZNAW-OLZOCXBDSA-N 287.363 0.807 10 10 CCCE C[C@@H](CC(N)=O)C(=O)NCc1cccc(O)c1O 1593738975 DAPIDNSUIKAZBX-ZETCQYMHSA-N 252.270 0.226 10 10 CCCE C[C@@H](C[S@](C)=O)NS(=O)(=O)Cc1ccc(N)cc1 168703621 PSWGGVCZVBRAMI-HUTHGQBESA-N 290.410 0.455 10 10 CCCE CN(C)c1ccc(-c2nc3c(=O)[nH]c(=O)n(C)c3[nH]2)cc1 157728421 RGKKDDARGJLPIX-UHFFFAOYSA-N 285.307 0.683 10 10 CCCE Cc1cc2c(cc1N(C)C[C@H](N)CN)OCCO2 258879658 GMOYZYXQHOZDOZ-SNVBAGLBSA-N 251.330 0.488 10 10 CCCE CCOC(=O)C(=O)N1C(=O)CCc2cc(N)ccc21 258799203 MEDGEMPHCXPZFZ-UHFFFAOYSA-N 262.265 0.638 10 10 CCCE CN(C[C@@H]1CNCCO1)C(=O)c1cccc(O)c1O 126714596 FQAIZFUMWKDZFV-VIFPVBQESA-N 266.297 0.158 10 10 CCCE CCNS(=O)(=O)Nc1ccnn1-c1ccc(N)cc1 126119228 VYPNMWLYJBCJDN-UHFFFAOYSA-N 281.341 0.721 10 10 CCCE N[C@H]1COC[C@H]1c1nc(-c2ccc(O)c(O)c2)no1 236314355 FPIJXTRRROSWFL-SFYZADRCSA-N 263.253 0.589 10 10 CCCE COC(=O)c1cccc(N)c1N[C@@H]1COC[C@H]1CN 1876458774 HEXQMFNCNJGEBM-LDYMZIIASA-N 265.313 0.441 10 10 CCCE CN(C(=O)COc1ccc(N)cc1)[C@@H]1CCCNC1 1876452530 ZXFBATOOUOSJPG-GFCCVEGCSA-N 263.341 0.858 10 10 CCCE O=C1Nc2cc(N3CCn4nccc4C3)ccc2[C@@H]1O 2144737337 RRHFBOFIFTXFPR-ZDUSSCGKSA-N 270.292 0.889 10 10 CCCE CN1CCCN(S(=O)(=O)Cc2ccc(N)cc2)CC1 20000304 XVJDVBUWWRMSOK-UHFFFAOYSA-N 283.397 0.736 10 10 CCCE CC(C)C[C@](C)(CN)NC(=O)c1cc(O)nc(O)c1 130944281 NCFSEQYTRQZKAP-CYBMUJFWSA-N 267.329 0.986 10 10 CCCE NCc1ccc(N(CC(=O)NC(N)=O)C2CC2)cc1 34655443 QGCUYRLKKRVBGB-UHFFFAOYSA-N 262.313 0.309 10 10 CCCE C[S@@](=O)C1CN(CCOc2ccc(N)cc2)C1 2004520172 AYSZDSYKTGWNRK-QGZVFWFLSA-N 254.355 0.710 10 10 CCCE C[C@@H](C(=O)Nc1ccc(N)cc1)N1CC2(CN(C)C2)C1 2152254569 HBCBLFXJQZYHNS-NSHDSACASA-N 274.368 0.843 10 10 CCCE Cc1nc([C@H](N)[C@H](O)c2ccc(N(C)C)cc2)nn1C 2148311245 RLEGXYALHWDJCU-CHWSQXEVSA-N 275.356 0.923 10 10 CCCE Nc1ccc(OC[C@@H](O)COC[C@H]2COCCO2)cc1 2154024847 CQRAJNHLZLWUCM-GXTWGEPZSA-N 283.324 0.441 10 10 CCCE COc1cccc(O)c1CN1CC[C@@](O)(CC(=O)O)C1 2160879911 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C[C@H]1CN[C@@H](C(=O)NCCc2ccc(O)c(O)c2)C1 2103020415 MLQUAPJVPLAJPB-MWLCHTKSSA-N 264.325 0.755 10 10 CCCE CC1(C)C[C@H](NC(=O)COc2ccc(N)cc2)[C@@H]1O 2105106008 YZFOEQGOHAWHAL-AAEUAGOBSA-N 264.325 0.923 10 10 CCCE Cc1ncnc(NS(=O)(=O)Cc2ccc(N)cc2)n1 2093826408 LTCMBKRJERFONA-UHFFFAOYSA-N 279.325 0.704 10 10 CCCE Cc1ccc(O)c(CN2CCn3c(CN)nnc3C2)c1 2203325668 WPCJIYUFTYZBLT-UHFFFAOYSA-N 273.340 0.767 10 10 CCCE COc1ccc(N(C)[C@H]2COC[C@H]2O)c(OC)c1 2219646456 BXTITFLHUWKGPI-NWDGAFQWSA-N 253.298 0.900 10 10 CCCE COc1ccc(N2CC[C@@H]2C(N)=O)c(C(=O)O)c1 2220398970 CALSGJTYMUXKLK-SNVBAGLBSA-N 250.254 0.457 10 10 CCCE O[C@H]1CN(c2ccc(CNC3CCC3)cc2)C[C@@H]1O 2231456067 FOOGMCHQCIEQNX-GJZGRUSLSA-N 262.353 0.871 10 10 CCCE NC(=O)COCCOC(=O)CCc1ccc(N)cc1 2232238629 PSIKFBHAMOSJCV-UHFFFAOYSA-N 266.297 0.247 10 10 CCCE C[C@H](CN(C)C)CN(CC(N)=O)Cc1ccc(N)cc1 2232807524 SWDRZXOPCVITDX-GFCCVEGCSA-N 278.400 0.754 10 10 CCCE OC[C@]12COC[C@@H]1CN(c1ccc3c(c1)OCCO3)C2 2235093938 KADKCGAVAKVKFP-XHDPSFHLSA-N 277.320 0.903 10 10 CCCE COc1ccc(N2CCN3C(=O)NC[C@@H]3C2)c(CO)c1 2235999496 KDCCKIBZBHQPHU-LLVKDONJSA-N 277.324 0.401 10 10 CCCE COc1ccc(CNCCN2C[C@@H](C)NC2=O)c(O)c1 2239304218 ZSVYTMYFWUSGDQ-SNVBAGLBSA-N 279.340 0.904 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@@H](N)[C@@H](O)C(F)(F)F 2280081075 ZWWVJXWGLXBFPZ-VHSXEESVSA-N 292.257 0.601 10 10 CCCE CC[C@H]1[C@@H](O)CCN1c1cc2c(cc1N)OCC(=O)N2 2288853063 LLGFMEAUBLCSEW-JQWIXIFHSA-N 277.324 0.949 10 10 CCCE Cc1cc(N2CC[C@@](O)(C(N)=O)C2)ccc1[C@H](C)O 2269679043 YAUBTVRCNOWXLT-HZMBPMFUSA-N 264.325 0.475 10 10 CCCE NCc1ccc(N2C[C@@H]3OC[C@@H](CO)O[C@@H]3C2)cc1Cl 2279776159 SRGRRCQDVMUKOE-KWCYVHTRSA-N 298.770 0.764 10 10 CCCE Nc1ccc(CC(=O)Nc2ncnc3ccnn23)cc1 2280077218 AMAHJRSHBHEAGZ-UHFFFAOYSA-N 268.280 0.888 10 10 CCCE Cc1cc(N2CCN(CC(N)=O)CC2)ccc1[C@H](C)O 2285174482 HLCYTXFTFAMHDV-LBPRGKRZSA-N 277.368 0.656 10 10 CCCE CNC(=O)[C@H]1COCCN1c1ccc([C@H](C)N)c(C)c1 2285128688 NHUPQRHRKIAJBC-SMDDNHRTSA-N 277.368 0.966 10 10 CCCE CNCc1ccc(N2CC(O)(C(F)(F)CO)C2)cc1C 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0.897 10 10 CCCE Nc1ccc(OCCC(=O)NC[C@@H]2CC[C@@H]2N)cc1 2271940237 NXEBETMVSBADRW-GWCFXTLKSA-N 263.341 0.891 10 10 CCCE CC(C)C[C@H](NC(=O)c1ccc(O)c(O)c1)C(N)=O 2264460768 RAFIUCKUFFPHJN-VIFPVBQESA-N 266.297 0.728 10 10 CCCE COc1n[nH]cc1C(=O)NCc1cc(N)ccc1O 2268496356 VPJVUGJFMWFCGB-UHFFFAOYSA-N 262.269 0.636 10 10 CCCE CC1(C)C(=O)NC[C@@H]1NC(=O)c1cccc(O)c1O 1148225296 KEHPCZMWNCUSDR-VIFPVBQESA-N 264.281 0.352 10 10 CCCE CO[C@H]1C[C@@H]2C[C@@](NCCN=[N+]=[N-])(C(N)=O)C[C@@H]21 2310820231 YYKRNCAQXLBGDU-HJGDQZAQSA-N 253.306 0.555 10 10 CCCE COc1ccc(N2C[C@@H]3CS(=O)(=O)[C@H]3C2)c(N)c1 2314936801 XBCQRYLLZNBGNA-PELKAZGASA-N 268.338 0.511 10 10 CCCE Nc1ccc(CC(=O)N2CC[C@H](N3CCOCC3)C2)cc1 62975535 XPGKMVGMQCJHTM-HNNXBMFYSA-N 289.379 0.744 10 10 CCCE O=C1C[C@@H](C(=O)NCCCSc2nccs2)CN1 114375357 KVJKIYZQMFLQKK-MRVPVSSYSA-N 285.394 0.878 10 10 CCCE COC(=O)[C@@H](O)C1(c2cc(O)c(O)c(OC)c2)CC1 1952721064 CFLABUZJAZUSBC-LLVKDONJSA-N 268.265 0.672 10 10 CCCE C[C@H](c1c(O)cccc1O)N(CC(=O)O)CC(=O)O 235196066 GTPYNEHDUHUWMA-SSDOTTSWSA-N 269.253 0.630 10 10 CCCE O=C(c1cccc(O)c1O)N1C[C@H]2CCCN[C@H]2C1 221631004 WDRGFXMWRYEDFX-KOLCDFICSA-N 262.309 0.922 10 10 CCCE C[C@H]1CN(C(=O)[C@@H](N)Cc2ccc(O)c(O)c2)[C@@H](C)CO1 40460158 HTEPXMSENBEDMJ-NHCYSSNCSA-N 294.351 0.603 10 10 CCCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cncnc1N 194227418 MHUPGYKLKHRHHH-MRVPVSSYSA-N 288.307 0.831 10 10 CCCE CS(=O)(=O)[C@@H]1CSCCN1CCN=[N+]=[N-] 90923361 HMWCCQHYYUJLDY-SSDOTTSWSA-N 250.349 0.716 10 10 CCCE C[C@@H](N[C@H]1CCN(C)C1=O)c1ccc(O)cc1O 230226939 JNGFMMGGAFOHTM-KCJUWKMLSA-N 250.298 0.979 10 10 CCCE CN1CCO[C@H](CNCc2ccc(O)c(O)c2)C1 91667020 JCVLDRQYPREQKY-LLVKDONJSA-N 252.314 0.518 10 10 CCCE CN(C[C@H](O)COc1ccc(N)cc1)CC(C)(C)O 92958324 CSFBCDYGXMJFED-LBPRGKRZSA-N 268.357 0.711 10 10 CCCE CNC[C@@]1(O)CN(C)c2cc(OC)c(OC)c(OC)c21 527416990 BOSPHEAYJPMWNW-CQSZACIVSA-N 282.340 0.569 10 10 CCCE COC(=O)[C@@H]1CS(=O)(=O)CCN1Cc1ccccc1O 275348043 YZQZJBQOYYZMJO-NSHDSACASA-N 299.348 0.164 10 10 CCCE CCOC(=O)c1cnc(SCC(=O)C(C)=O)nc1N 289551256 GGYXEQUGBZOQNX-UHFFFAOYSA-N 283.309 0.486 10 10 CCCE CC(=O)C(=O)COC(=O)CCOCC(F)(F)C(F)F 808541045 NGHFYDRUMPJPRT-UHFFFAOYSA-N 288.193 0.995 10 10 CCCE CO[C@H]1C[C@H](CO)N(c2ccc3c(c2)NC(=O)[C@H]3N)C1 2167205475 PFLQSTVVBVESJN-NRUUGDAUSA-N 277.324 0.225 10 10 CCCE CC(=O)C(=O)COC(=O)[C@H]1CCc2ncncc2C1 829968132 FJLKJYMBAOJKIA-VIFPVBQESA-N 262.265 0.283 10 10 CCCE CN1C(=O)C(=Cc2cnc(Cl)n2C)C(=O)N(C)C1=O 901417664 RYTOJFDQEWEOGE-UHFFFAOYSA-N 282.687 0.507 10 10 CCCE COc1ccc(CNC[C@]2(CO)COCCN2C)cc1C 922540605 TVGPNRHDFLLCBZ-INIZCTEOSA-N 294.395 0.786 10 10 CCCE CCN1CCOC[C@@H]1C(=O)N1Cc2cccc(O)c2C1 871202760 FJVMOOIBQBTHSD-CYBMUJFWSA-N 276.336 0.955 10 10 CCCE COc1ccc(O)c([C@@H](C)NCC(=O)NC(N)=O)c1 775369471 DJMAVMUHTKVWBS-SSDOTTSWSA-N 267.285 0.246 10 10 CCCE CC(C)CNC(=O)[C@@H](N)c1ccc(O)c(O)c1O 83398438 IHUUPZOGWZCFDH-VIFPVBQESA-N 254.286 0.575 10 10 CCCE Nc1ccc(CCN2CCOC[C@H]2CCO)cc1 702125834 LEIXLGHKXPAVHA-CQSZACIVSA-N 250.342 0.895 10 10 CCCE Cn1nc(C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)ccc1=O 706387948 APHZJIOIOGOOJO-MRVPVSSYSA-N 262.273 0.695 10 10 CCCE OC[C@H](O)CNCc1ccc(Br)cc1O 691414408 LYJXVAQYJUEKRM-SECBINFHSA-N 276.130 0.598 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN1C(=O)[C@H]1CCCS1(=O)=O 692886010 QHOOAHHEWVZZAS-RKDXNWHRSA-N 272.330 0.865 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1C[C@H]2C[C@]2(C(=O)O)C1 693272193 DUGPKKFJMSFJTH-OQPBUACISA-N 263.249 0.645 10 10 CCCE C[C@H](N[C@H]1CCC(=O)NC1=O)c1cc(F)ccc1O 94618454 PLXGPCVVBOFBQY-XVKPBYJWSA-N 266.272 0.987 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3CCO[C@H](CF)C3)ccc21 2115423259 PFRICHXABLSVTH-BXKDBHETSA-N 265.288 0.813 10 10 CCCE CNC1(c2nc(-c3ccc(O)c(O)c3)no2)COC1 2116496657 OSHKOTNFPIOGPT-UHFFFAOYSA-N 263.253 0.593 10 10 CCCE O=S1(=O)C[C@H]2C(CNCc3c(O)cccc3F)[C@@H]2C1 2117988922 RLTDLWYQRPCAOZ-QWRGUYRKSA-N 285.340 0.912 10 10 CCCE CNCc1ccc(N2C[C@H]3NC(=O)O[C@@H]3C2)c(F)c1 2120405975 OQVRTRLJSLLEHC-ZYHUDNBSSA-N 265.288 0.842 10 10 CCCE C[C@@H](N)c1ccc(N2C[C@@H]3C[C@H](C2)[C@@H](O)[C@@H]3O)cc1 2126157031 PDSOHHACUVUREP-USTATANYSA-N 262.353 0.884 10 10 CCCE CN(Cc1ccccc1O)S(=O)(=O)C[C@H]1CC[C@H]1O 2121698651 NCGODQHDLLTQFJ-DGCLKSJQSA-N 285.365 0.925 10 10 CCCE COC(=O)[C@]1(O)CCN(C(=O)c2ccc(C)c(O)c2O)C1 1175862071 LOXLCISRDIUKKZ-AWEZNQCLSA-N 295.291 0.156 10 10 CCCE Nc1ccc(OCC(=O)N=c2ccnc(F)[nH]2)cc1 2122590539 FBPOYPOHYVPHCP-UHFFFAOYSA-N 262.244 0.637 10 10 CCCE Cn1nnc2cccc(C(=O)[C@@H]3CCC(=O)C3=O)c21 2127746871 VEVYKOWWIYVUHU-QMMMGPOBSA-N 257.249 0.699 10 10 CCCE CC1(C)COC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2132347916 ABKGRTODRNFVPR-SNVBAGLBSA-N 267.281 0.958 10 10 CCCE Cn1cc(CNC(=O)c2cc(O)c(O)c(O)c2)cn1 2132348122 FFVVFCHNQCZYOY-UHFFFAOYSA-N 263.253 0.467 10 10 CCCE N[C@H]1C[C@H]2C[C@H]1CN2C(=O)c1cc(O)c(O)c(O)c1 2132400336 LWZUYBLCGRJTKU-YIZRAAEISA-N 264.281 0.365 10 10 CCCE CCOC(=O)[C@]1(NCCN=[N+]=[N-])CCN(C)[C@@H]1C 1912151968 NNAYAHGNTWNPIY-KOLCDFICSA-N 255.322 0.912 10 10 CCCE C[C@@H](O)C(C)(C)CNC(=O)c1cc(O)nc(O)c1 1913828895 NFQINCKJAFMDGV-SSDOTTSWSA-N 254.286 0.630 10 10 CCCE C[C@@H]1[C@H](O)CCN1c1ccc2c(c1)N(C)C(=O)[C@H]2N 1914305471 RZZVPMUIWOIMTQ-WQHBLYJGSA-N 261.325 0.622 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N3C[C@@H](O)C3(C)C)ccc21 2136628953 FTHLAJKKXCPWSU-VXGBXAGGSA-N 261.325 0.859 10 10 CCCE C[C@H](C(=O)Nc1ccc(N)cc1)N1CC[C@@H](CO)C1 226439323 URXKLNAEAIWOLW-GHMZBOCLSA-N 263.341 0.910 10 10 CCCE COc1cccc(CNC(=O)CS(=O)(=O)C2CC2)c1O 1465993668 VKNQZRUCOLOAHB-UHFFFAOYSA-N 299.348 0.594 10 10 CCCE O=C1NCCN(c2ccc3c(c2)OCO3)[C@H]1CCO 217059064 NSKUKKWIQXCQOQ-JTQLQIEISA-N 264.281 0.103 10 10 CCCE COC(=O)[C@H](C)CNC(=O)Cc1ccc(O)c(O)c1 1626341806 RHUJIDFFULZCPT-MRVPVSSYSA-N 267.281 0.566 10 10 CCCE CCn1cc(CC(=O)NCc2cc(O)ccc2O)nn1 1558175341 MKMKUHKGWWCQGT-UHFFFAOYSA-N 276.296 0.568 10 10 CCCE COC[C@@](C)(CC(=O)OC)NC(=O)c1cccc(O)c1O 1587041497 AANMNPVSHNZDFQ-CQSZACIVSA-N 297.307 0.796 10 10 CCCE COCCNC(=O)[C@H](C)NCc1ccc(F)cc1O 2139883138 TXBSGQZRPMGBSZ-VIFPVBQESA-N 270.304 0.772 10 10 CCCE CO[C@]1(CNCc2ccc(O)c(O)c2)CCOC1 160108844 UCYJUWUJCYHRQP-ZDUSSCGKSA-N 253.298 0.993 10 10 CCCE Cn1cc(CN)c(NC(=O)c2ccc(O)c(O)c2)n1 236101604 FWEQJUBJOLRFPY-UHFFFAOYSA-N 262.269 0.542 10 10 CCCE C[C@H](N)c1ccc(N2CC(S(C)(=O)=O)C2)cc1 1946913223 QMPYHIFPBQTHCP-VIFPVBQESA-N 254.355 0.940 10 10 CCCE CCS(=O)(=O)N(C)CCNCc1ccc(F)cc1O 1964614700 MCWQYZAFTCFJFV-UHFFFAOYSA-N 290.360 0.902 10 10 CCCE Cn1cc(C(=O)O)c(=NC(=O)c2ccc(O)c(O)c2)[nH]1 2143802792 UGMNKSNKXPYDHS-UHFFFAOYSA-N 277.236 0.204 10 10 CCCE Nc1ccc(CCC(=O)NC[C@@H](F)C2CNC2)cc1 1876429292 IFNGBYWCLWUWSA-CYBMUJFWSA-N 265.332 0.875 10 10 CCCE NC[C@@H]1CCC[C@H]1NS(=O)(=O)Cc1ccc(N)cc1 1876411433 QBQQTETWNNZSCE-WCQYABFASA-N 283.397 0.816 10 10 CCCE NCC1(F)CC(NC(=O)COc2ccc(N)cc2)C1 1876526105 VXGIDYIMOYUBSH-UHFFFAOYSA-N 267.304 0.593 10 10 CCCE CNC(=O)NCCCNCc1cc(F)ccc1O 1964071170 PHDWWHFLRGMENH-UHFFFAOYSA-N 255.293 0.940 10 10 CCCE C[C@H](CO)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 167164377 LAOKALBDDGEKMX-KKZNHRDASA-N 282.340 0.101 10 10 CCCE CNC(=O)[C@@H]1CNCCN1[C@H](C)c1ccc(F)cc1O 251577116 VNMHCRKYRALTCI-SKDRFNHKSA-N 281.331 0.612 10 10 CCCE Cc1cccc(O)c1CNC[C@@H]1CCS1(=O)=O 1972340780 ZHTZMJSONXLGBI-JTQLQIEISA-N 255.339 0.977 10 10 CCCE NC(=O)[C@H]1CCCN(C(=O)Nc2ccc(N)cc2)C1 35407484 JJIXJVDVEWVRRP-VIFPVBQESA-N 262.313 0.998 10 10 CCCE CCCN[C@@H](c1ccccc1O)[C@@]1(O)CCS(=O)(=O)C1 2148151620 KEIZTJSRZIYAHL-UONOGXRCSA-N 299.392 0.983 10 10 CCCE Nc1ccc(OC[C@@H](O)CN2C[C@H](O)C(F)(F)C2)cc1 2152098160 JWWWWGFCZFENMH-JQWIXIFHSA-N 288.294 0.320 10 10 CCCE COCC1(N)CC(NC(=O)Cc2ccc(O)c(O)c2)C1 2152875693 NDIWBIBRTKNGKY-UHFFFAOYSA-N 280.324 0.263 10 10 CCCE O=C(N[C@@]12CCCN[C@@H]1CCC2)c1cc(O)nc(O)c1 2154572992 HZDWTERZGMXLDY-YGRLFVJLSA-N 277.324 0.897 10 10 CCCE C[C@H](c1ccccc1O)N(C)C(=O)[C@H]1CNC[C@H](O)C1 2155382434 NQXOXYSGFNWMOW-IJLUTSLNSA-N 278.352 0.882 10 10 CCCE CN(C)[C@@H]1CN(c2ccc(CO)c(Cl)c2)C[C@H]1O 2029433731 IOINZAZHFFIYRP-CHWSQXEVSA-N 270.760 0.943 10 10 CCCE NN[C@H](c1ccccc1O)[C@H]1CCCS(=O)(=O)C1 2029555483 JVCSBURJFHJZPN-CABZTGNLSA-N 270.354 0.721 10 10 CCCE CN1C[C@H](O)[C@@H](NCc2ccc(F)c(F)c2O)C1 2029864175 PALHUASWTMCFDN-UWVGGRQHSA-N 258.268 0.435 10 10 CCCE CN(C)C[C@@H]1COCCN1c1ccc(CO)cc1 2035717315 QVOJIYFAAAFSOW-CQSZACIVSA-N 250.342 0.946 10 10 CCCE O[C@@H]1CN(C2CC2)C[C@@H]1NCc1ccc2c(c1)CCO2 2160557673 XYDWPMNNBZDJLD-LSDHHAIUSA-N 274.364 0.919 10 10 CCCE CS(=O)(=O)N1CC[C@@H](NCc2cccc(O)c2O)C1 400172550 LZOLDIXFXNFBHI-SNVBAGLBSA-N 286.353 0.221 10 10 CCCE OC[C@@H]1CN(c2ccc(CNC3CC3)cc2)C[C@@H]1O 316853756 DFYNWHFCHXFETG-WFASDCNBSA-N 262.353 0.728 10 10 CCCE Nc1cc2c(cc1N1C[C@@H](O)C[C@H](O)C1)CCC(=O)N2 2161355633 XSWXHLNFHGLVKP-UWVGGRQHSA-N 277.324 0.085 10 10 CCCE Nc1ccc(OCCCN2C[C@@H](CO)[C@@H](CO)C2)cc1 704761659 UHLIUWGHNIACJJ-BETUJISGSA-N 280.368 0.570 10 10 CCCE CNCCOCCNC(=O)c1ccc(O)c(O)c1 705914121 OKGFAFYWDQJSNR-UHFFFAOYSA-N 254.286 0.064 10 10 CCCE Nc1ccc(NC(=O)N2CCC[C@@H](S(N)(=O)=O)C2)cc1 707362082 CTBPOFJPMWANPE-LLVKDONJSA-N 298.368 0.554 10 10 CCCE CCOc1cccc(CN2CCO[C@@H]3CNC[C@H]32)c1O 686536235 QCOJJGBKJHCYPT-TZMCWYRMSA-N 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2070328539 RIPSTFOSBUUGGS-CDLYGTGVSA-N 253.306 0.555 10 10 CCCE N=c1[nH][nH]cc1S(=O)(=O)NCc1ccccc1O 2071702635 XRRJSBGYFBBKEP-UHFFFAOYSA-N 268.298 0.006 10 10 CCCE C[C@]1(O)CCN(c2ccc(CO)cc2)C[C@]1(C)O 2074153057 ISRWRYPWUHZTDW-KBPBESRZSA-N 251.326 0.891 10 10 CCCE O=S(=O)(NCc1ccccc1O)c1ccc(CO)o1 2101571612 LQICEJHZAJGHIQ-UHFFFAOYSA-N 283.305 0.956 10 10 CCCE COC[C@H](N)CC(=O)NCc1cccc(C)c1O 2084060857 MGLDDWSDRIIRSL-LLVKDONJSA-N 252.314 0.681 10 10 CCCE [N-]=[N+]=NCCN[C@]1(C(=O)O)C[C@@H]2CS(=O)(=O)C[C@@H]2C1 2104841554 TZTREVRMLAUABG-DIYOJNKTSA-N 288.329 0.164 10 10 CCCE C[C@H](c1ccccc1O)N(C)C(=O)[C@@H](N)C1COC1 2104894742 PRDRIVKTURTNCT-RNCFNFMXSA-N 264.325 0.885 10 10 CCCE CC[C@@H](O)CN(C(=O)c1cc(O)nc(O)c1)C1CC1 2107418552 MIXYXGMNCWDHLE-SNVBAGLBSA-N 266.297 0.868 10 10 CCCE C[C@H]1CNCCN(C(=O)Cc2ccc(O)c(O)c2)C1 2087724911 MZRKOYDFUMGJGJ-JTQLQIEISA-N 264.325 0.708 10 10 CCCE C[C@@H](O)c1ccc(N2CC[C@@H](OCC(N)=O)C2)cc1 2089139888 QMWSUDBTQSBSJC-ZWNOBZJWSA-N 264.325 0.821 10 10 CCCE O=C(NCC[C@@H]1CCCCN1)c1cc(O)nc(O)c1 2093355708 CCOWHCHKCUMBBA-JTQLQIEISA-N 265.313 0.755 10 10 CCCE CCCCNC(=O)Cn1ccc2c(c1=O)CNCC2 2094406904 LGDYAPDEWDHBFS-UHFFFAOYSA-N 263.341 0.410 10 10 CCCE O=C(O)[C@H]1C[C@H](F)CN1C(=O)c1cccc(O)c1O 2095598858 NVXXNRFNJNNWCW-POYBYMJQSA-N 269.228 0.735 10 10 CCCE C[C@@H](c1ccc(N(C)C)cc1)N(CC(N)=O)CC(=O)O 2201044542 IELJDQKYOIYHGN-JTQLQIEISA-N 279.340 0.686 10 10 CCCE C[C@@H](C(=O)Nc1ccc(N)cc1)N1C[C@H]2C[C@H]1[C@@H]2CO 2203128632 NFUXRSFKPNLOEM-PJQZNRQZSA-N 275.352 0.908 10 10 CCCE Oc1cc(F)ccc1CN[C@@H]1CCC[C@H](O)[C@@H]1O 2217644211 YNQFCSOAMIIFHQ-NTZNESFSSA-N 255.289 0.895 10 10 CCCE COc1ccc(N2CCN(C(=O)[C@@H](C)CO)CC2)cc1 2208446958 GZDBCDBBALJAQH-LBPRGKRZSA-N 278.352 0.972 10 10 CCCE [N-]=[N+]=N[C@@H]1CCC[C@H]1NS(=O)(=O)c1cccnn1 2218745674 NIPQFOKVYMNIQF-HTQZYQBOSA-N 268.302 0.986 10 10 CCCE CN(C(=O)C1=C[C@H](O)[C@@H](N)C1)c1cncc(Cl)n1 2219206421 SDBNDISVDVPGLJ-YUMQZZPRSA-N 268.704 0.111 10 10 CCCE O[C@H]1CCN(c2ccc3c(c2)OCCO3)C[C@H]1O 2219597652 LLSVKEGSYGFRQY-WDEREUQCSA-N 251.282 0.390 10 10 CCCE COc1ccc(N2CC[C@H](O)[C@@H](O)C2)cc1OC 2219640439 HCPSFDWRMBDJLI-QWRGUYRKSA-N 253.298 0.636 10 10 CCCE Cc1cc([C@H](C)O)ccc1N(C)[C@H]1CC(=O)NC1=O 2232104605 MMLHJORZNJQECH-CABZTGNLSA-N 262.309 0.900 10 10 CCCE CO[C@@H]1[C@H](OC)CN(c2ccc(CO)c(C)c2)[C@@H]1CO 2233354073 NUAXBJUPFBVECI-KFWWJZLASA-N 281.352 0.698 10 10 CCCE OC[C@]1(O)CCN(c2ccc3c(c2)COCC3)C[C@@H]1O 2235068768 FNCQFQBJEZZWBZ-LSDHHAIUSA-N 279.336 0.054 10 10 CCCE CNCc1cc(OC)ccc1N1CC[C@@H](O)[C@](C)(O)C1 2235966766 XTXZYJLJCZDZFF-HUUCEWRRSA-N 280.368 0.737 10 10 CCCE OC[C@@H]1C[C@@H](CO)CN1c1ccc2c(c1)OCCO2 2226775042 LCGNBQZGMNGCGX-PWSUYJOCSA-N 265.309 0.637 10 10 CCCE C[C@@H]1C[C@H](O)[C@@H](C)N(C(=O)c2cc(O)nc(O)c2)C1 2227623428 YMUAMBHCRJUSDG-MRTMQBJTSA-N 266.297 0.724 10 10 CCCE CSc1ncc(CNC(=O)[C@H](C)N2CC(N)C2)s1 2256947535 JGESJMCZNDUZEJ-ZETCQYMHSA-N 286.426 0.513 10 10 CCCE CSc1ncc(CNC(=O)C2(N)CC(CO)C2)s1 2256948649 NNRGRKZVPWWFHR-UHFFFAOYSA-N 287.410 0.581 10 10 CCCE C[C@@H](O)c1ccc(N2CC(O)(CCO)C2)c([N+](=O)[O-])c1 2286174232 OITCMELLDUBJER-SECBINFHSA-N 282.296 0.582 10 10 CCCE COc1cc(C)c(N2C[C@H](O)[C@@H](O)[C@@H](CO)C2)c(C)c1 2289509484 WLXAXVXKQAZMAB-ZLDLUXBVSA-N 281.352 0.462 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1C[C@H]2CN[C@@H]1C2 2296694235 ISJYWUVBIZNXMM-HBNTYKKESA-N 262.309 0.507 10 10 CCCE CCN(CCC(=O)OC)C(=O)c1cc(O)c(O)c(O)c1 1148588132 PDDLOZGZYOICPO-UHFFFAOYSA-N 283.280 0.829 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)[C@H]2C[C@@H]3CC[C@H](C2)N3)C1 2310347519 FECKVOWFGWVGTB-KFBAQQFSSA-N 250.342 0.783 10 10 CCCE Nc1ccc(NC(=O)[C@@H]2COC[C@H]2C(=O)O)cc1 2316485089 CUTKMPKBNCAVGX-NXEZZACHSA-N 250.254 0.555 10 10 CCCE NC(=S)C1(F)CN(C(=O)c2ccc(O)c(O)c2)C1 2317409442 YYDUZYCNQRJCTG-UHFFFAOYSA-N 270.285 0.548 10 10 CCCE Nc1ccc(CC(=O)NCC[C@H](O)CCO)cc1 2326760273 DGRVWDNYBYWLGC-LBPRGKRZSA-N 252.314 0.061 10 10 CCCE Cc1ccc(O)c([C@@H](C)N[C@@H]2C[C@H](O)[C@@H](O)[C@H]2O)c1 2329651100 POLKXXHKHKVFMO-YWIKUWRNSA-N 267.325 0.206 10 10 CCCE O=C1Nc2cc(N3C[C@@H]4C[C@H](O)[C@H]3C4)ccc2[C@@H]1O 2330789297 CEIKXALFFUJIJI-GZFGJDTESA-N 260.293 0.632 10 10 CCCE C[C@]1(O)C[C@H]2C[C@H]1N(C(=O)c1cc(O)nc(O)c1)C2 2339701772 YKSCSASGCOEGSO-JPVBRFOXSA-N 264.281 0.478 10 10 CCCE CCn1nnc(CN[C@@H](C)c2cc(O)ccc2O)n1 1893040510 PHNLAZCFJQDTQU-QMMMGPOBSA-N 263.301 0.955 10 10 CCCE O=C1CCCC(=O)C1C1(O)C(=O)c2ccccc2C1=O 105430759 APCIXXHBJXRKFI-UHFFFAOYSA-N 272.256 0.735 10 10 CCCE C[C@H](O)c1ccc(N2[C@H]3CC[C@@H]2C[C@@H](O)[C@@H]3O)cc1O 2357053364 VHQPKWNFKYHMLB-OADFYJJDSA-N 279.336 0.908 10 10 CCCE NCc1ccc(N2CC[C@@H]3C[C@H]2[C@@H](O)[C@@H]3O)c(F)c1F 2357593054 RCPYCYVUDNXULK-LSYYBOQUSA-N 284.306 0.744 10 10 CCCE C[C@H](N)[C@@H]1CCN(C(=O)c2cccc(O)c2O)C1 126727559 JFQPLFRCWNLCHH-DTWKUNHWSA-N 250.298 0.907 10 10 CCCE CN1CCO[C@@H](C(=O)N2CCC(CN=[N+]=[N-])CC2)C1 2131265471 CWTIZVGUZQYHTA-LLVKDONJSA-N 267.333 0.866 10 10 CCCE CC(C)NC(=O)CN(C)C[C@@H](O)COc1ccc(N)cc1 42601120 VBSDXPCBFTWUNH-CYBMUJFWSA-N 295.383 0.465 10 10 CCCE Nc1ccc(OCCC(=O)NC2(CO)CC2)cc1 142910905 GHDUPSDAGCSTOI-UHFFFAOYSA-N 250.298 0.679 10 10 CCCE COc1ccc(N2CCN(Cc3n[nH]c(=O)[nH]3)CC2)cc1 91516292 HYVAJQRYIJJBSV-UHFFFAOYSA-N 289.339 0.429 10 10 CCCE COc1ccc(CC(=O)OCC(=O)C(C)=O)nc1 808545789 NSDXAZDEBRKFTC-UHFFFAOYSA-N 251.238 0.334 10 10 CCCE COC(=O)[C@@H](CF)NC(=O)/C=C/c1ccc(O)c(O)c1 813691837 PWVVXSUOAOXAKP-HYYFJVDXSA-N 283.255 0.738 10 10 CCCE CCN(CC(=O)NC)c1ccc2c(c1)NC(=O)[C@@H]2NC 723192135 OYFXRTGZBYEIHE-CYBMUJFWSA-N 276.340 0.472 10 10 CCCE COc1cc(O)c(CNC[C@@H]2CCC(=O)N2)cc1OC 827371366 SJQYONIIOUSAJF-JTQLQIEISA-N 280.324 0.778 10 10 CCCE COC[C@](C)(CCO)NC(=O)c1cc(O)cs1 831786095 UTXZBKJVFCUFOA-NSHDSACASA-N 259.327 0.971 10 10 CCCE COC[C@H]1C(=O)N[C@@H](c2ccc3c(c2)CCN3C)N1C 840833766 UBTDUTYDNLGEQY-UONOGXRCSA-N 275.352 0.754 10 10 CCCE O=C(/C=C\c1ccc(O)c(O)c1)O[C@H]1CCCNC1=O 759591541 CGRDVPKKXMUDSX-RNZFLTOJSA-N 277.276 0.933 10 10 CCCE COc1ccc(O)c([C@H](C)NC(=O)C2CS(=O)(=O)C2)c1 866762935 AETWTEVMHOTQTE-QMMMGPOBSA-N 299.348 0.623 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COCCNCc1ccc(N2CCO[C@H](CO)C2)cc1 167297595 QIAKNGYJXUIUCD-HNNXBMFYSA-N 280.368 0.620 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3C[C@H]4CC[C@@]3(CO)C4)ccc21 2145950112 ATGGBGREFZUKSH-FGEZKYSXSA-N 273.336 0.990 10 10 CCCE NC(=O)[C@@H]1CC[C@H](NC(=O)CCc2ccc(N)cc2)C1 2146218289 AOJJUFMEFGRDBD-YPMHNXCESA-N 275.352 0.972 10 10 CCCE Nc1ccc(NC(=O)N2C[C@]3(CO)C[C@]3(CO)C2)cc1 2146309639 GJLHZEZWAQKJOO-OKILXGFUSA-N 277.324 0.477 10 10 CCCE CN(CC(F)(F)CO)C(=O)[C@H]1CNc2ccccc2N1 2150967615 OYEDMRKNKIUYST-LLVKDONJSA-N 285.294 0.979 10 10 CCCE Nc1cc2c(cc1N1C[C@@H]3[C@@H](CO)[C@@H]3C1)CCC(=O)N2 2146878258 AIPKBODVXBBRAI-URLYPYJESA-N 273.336 0.828 10 10 CCCE Cc1nnc(CN(C)C(=O)c2ccc(O)c(O)c2)n1C 2146932362 BLXBFFXRDHWXDS-UHFFFAOYSA-N 276.296 0.807 10 10 CCCE CN(Cc1ccc(N(C)C)cc1)C(=O)c1nonc1N 49834637 WQOBCPJWRGVTDV-UHFFFAOYSA-N 275.312 0.990 10 10 CCCE NC[C@@H]1C[C@@H]1C(=O)NCCc1ccc(O)c(O)c1 2031084376 WRWOPFGZKKMUMX-UWVGGRQHSA-N 250.298 0.351 10 10 CCCE C[C@@H](CNC(=O)c1ccc(O)c(O)c1)N1CCC1 2041310107 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CC[C@](COC)(NC(=O)c1cc(O)nc(O)c1)C(=O)O 381217215 MZFRSWBKLMRGGX-GFCCVEGCSA-N 284.268 0.102 10 10 CCCE C[C@@H](C(=O)Nc1ccc(N)cc1)N(CCO)CCCO 385441670 RJLZGLDPIXFEBQ-NSHDSACASA-N 281.356 0.273 10 10 CCCE C[C@@H]1[C@H](CO)CCN1c1ccc2c(c1)NC(=O)[C@@H]2N 385643379 KGNYUAVVKXXJFY-VYUIOLGVSA-N 261.325 0.846 10 10 CCCE NCc1ccc(N2C[C@@H]3C(=O)NC(=O)[C@H]3C2)cc1Cl 386723663 AJLHSDPIVURNFL-UWVGGRQHSA-N 279.727 0.508 10 10 CCCE C[C@@H]1CN(c2ccc([N+](=O)[O-])c(CO)c2)CC(=O)N1 386970441 BMBBVFMCLDABDN-MRVPVSSYSA-N 265.269 0.412 10 10 CCCE CNCc1ccc(N2CC(NC(C)=O)C2)c(F)c1 388335360 GWQGSWPXTXZABG-UHFFFAOYSA-N 251.305 0.870 10 10 CCCE N=C(CC1CC(NC(=O)c2ccc(O)c(O)c2)C1)NO 2173308373 XZXAANLLISFQQU-UHFFFAOYSA-N 279.296 0.952 10 10 CCCE CN(CC1[C@@H]2COC[C@@H]12)c1ccc2c(c1)NC(=O)[C@H]2N 2174643590 MQYGULOFCMIWRR-OBJOEFQTSA-N 273.336 0.967 10 10 CCCE CN(C)C(=O)c1cn(-c2ccc(O)c(O)c2)nc1O 2070582380 YAKNJSZUGGXPTP-UHFFFAOYSA-N 263.253 0.691 10 10 CCCE CCNC(=O)C(C)(C)NC(=O)c1cc(O)c(O)c(O)c1 2188868295 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Cc1nnc(NS(=O)(=O)CCOc2ccc(N)cc2)o1 127676616 VLAYKCSWBJLERF-UHFFFAOYSA-N 298.324 0.781 10 10 CCCE CS[C@H]1COC[C@H]1NC(=O)COc1ccc(N)cc1 2142556498 URSMOIJODVXDLD-NEPJUHHUSA-N 282.365 0.894 10 10 CCCE CN1CCN(C(=O)CNCc2ccc(N(C)C)cc2)CC1 1857865497 PLXNOWNGVBPSRL-UHFFFAOYSA-N 290.411 0.616 10 10 CCCE C[C@@H]1C[C@@H](N)CN1C(=O)CCOc1ccc(N)cc1 1876479176 DTSTZFDZXNMERT-ZYHUDNBSSA-N 263.341 0.986 10 10 CCCE Nc1ccc(OCCC(=O)N2CCN[C@@H]3C[C@@H]32)cc1 1876483683 ODSHOXJCXMRZPC-OLZOCXBDSA-N 261.325 0.610 10 10 CCCE C[C@H](Sc1nnnn1C)C(=O)Nc1ccc(N)cc1 19846055 GDTXIGHGJLGVPY-ZETCQYMHSA-N 278.341 0.912 10 10 CCCE N[C@@H](C(=O)NCc1ccccc1O)[C@H]1CCCO1 1969154956 SIZHUZTXCWATMK-VXGBXAGGSA-N 250.298 0.515 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCNC[C@@H]1F 1971361888 LMEYLZKJDSJIIK-VHSXEESVSA-N 268.288 0.457 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC[C@@H]1CCCS1 149799118 QKPSKFRRSDGINE-QWRGUYRKSA-N 296.392 0.979 10 10 CCCE C[C@@]1(CN)CN(Cc2ccccc2O)C(=O)CO1 258006497 PCVGWQXZAYOLBP-CYBMUJFWSA-N 250.298 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Nc1ccc(CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C=C[C@H]3O2)cc1 313583930 TVTRCZOMMWXPTA-FDYHWXHSSA-N 270.288 0.707 10 10 CCCE COC(=O)[C@@H](c1c(O)cccc1OC)N1CCNCC1 2160722600 HARGSTSJGBFPSV-CYBMUJFWSA-N 280.324 0.520 10 10 CCCE C[C@@]1(CO)CN(Cc2cc(N)ccc2O)C[C@]1(C)CO 704730323 PXVHYSZMSPZKBQ-GASCZTMLSA-N 280.368 0.787 10 10 CCCE Oc1c(Br)cccc1CNCCn1ncnn1 379755730 ARRNGLHYIMTWLW-UHFFFAOYSA-N 298.144 0.931 10 10 CCCE COCC1(O)CN([C@@H](C)C(=O)Nc2ccc(N)cc2)C1 384151978 PMFVBTGNNKDGPR-JTQLQIEISA-N 279.340 0.289 10 10 CCCE Oc1ccc(CN2CCO[C@]3(CCNC3)C2)cc1O 717458790 QQLAFKCHZYKDDX-AWEZNQCLSA-N 264.325 0.662 10 10 CCCE Cc1cc(CN)ccc1N1C[C@H]2C(=O)NC(=O)[C@H]2C1 386663859 NAIYWQRKRWWLDJ-PHIMTYICSA-N 259.309 0.163 10 10 CCCE C[C@H](CNC(=O)Nc1ccc(N)cc1)c1nn[nH]n1 392458902 HVYGTVOPKJEDQF-SSDOTTSWSA-N 261.289 0.707 10 10 CCCE CN1CCc2cc(CNC[C@@H]3CNC(=O)C3)ccc21 398341691 VPIUQMCLKOXLDJ-GFCCVEGCSA-N 259.353 0.905 10 10 CCCE CNC(=O)c1cnn(Cc2ccc([N+](=O)[O-])cc2O)c1 2069927405 WMUONFBEGBTAJI-UHFFFAOYSA-N 276.252 0.905 10 10 CCCE CCn1nnnc1CN(C)C(=O)Nc1ccc(N)cc1 2196296031 VFSPMYNMSPKTAK-UHFFFAOYSA-N 275.316 0.939 10 10 CCCE C[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)C[C@@H](C)C1O 2188867806 HBPLOESKIZZHJF-HTQZYQBOSA-N 281.308 0.892 10 10 CCCE C[S@](=O)CC1(C)CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2188921227 BEXJTXWDURZGMO-FQEVSTJZSA-N 299.348 0.644 10 10 CCCE C[C@H](O)CN(C[C@H](C)O)c1ccc(CN)cc1F 2041737062 RMKLIDJUMMUWIY-UWVGGRQHSA-N 256.321 0.852 10 10 CCCE CO[C@H]1C[C@@](CO)(NC(=O)c2cc(O)c(O)c(O)c2)C1 2198590361 DEKMCAGVCAZNQM-KTLJEJPDSA-N 283.280 0.073 10 10 CCCE OCC(CO)(CO)CNCc1c(O)cccc1Cl 2059279302 FKNDCFYBRZFIDR-UHFFFAOYSA-N 275.732 0.099 10 10 CCCE O=C1NC[C@H](CNC(=O)[C@@H]2CNc3ccccc3N2)O1 2186495123 BXLHNIPUQXOLEF-KWQFWETISA-N 276.296 0.117 10 10 CCCE Nc1ccc(OCCS(=O)(=O)N[C@@H]2CC[C@H](N)C2)cc1 2191641130 JRMHHNXHPQXEMH-NWDGAFQWSA-N 299.396 0.447 10 10 CCCE Nc1ccc(CS(=O)(=O)NCC2CC3(CNC3)C2)cc1 2191648587 SYJRRDFTIYMSRV-UHFFFAOYSA-N 295.408 0.688 10 10 CCCE CN(Cc1cc(N)ccc1O)C[C@@]1(O)CCOC1 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COc1ccc(CN2[C@H]3CCNC[C@H]2COC3)c(O)c1 2204634037 LMEKEYKVPGXGBX-STQMWFEESA-N 278.352 0.964 10 10 CCCE CCNCc1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CF)c(F)c1 2205617112 WXZQMBKQDIUJDC-IHRRRGAJSA-N 286.322 0.815 10 10 CCCE O=C1Nc2cc(N3CC(OCCCO)C3)ccc2[C@@H]1O 2206958966 XUGSUTPIEVMYOB-ZDUSSCGKSA-N 278.308 0.260 10 10 CCCE Cc1cc(N2CC3(CNC(=O)N3)C2)ccc1[C@H](C)O 2269677555 GCIXXURMJLGXCD-JTQLQIEISA-N 261.325 0.920 10 10 CCCE O=C(O)[C@H]1CCC2(CC2)N1C(=O)c1cc(O)nc(O)c1 2233216124 ACVHDEKXJCRATA-MRVPVSSYSA-N 278.264 0.715 10 10 CCCE CN(C)[C@H]1CN(c2ccc3c(c2)OCCCO3)C[C@H]1O 2235121555 KHMGFIPEZZPRHC-QWHCGFSZSA-N 278.352 0.959 10 10 CCCE COc1ccc(N2[C@H](CO)C[C@H]3OCC[C@H]32)c(CN)c1 2235963331 MHOHMJDOTKIPMA-NILFDRSVSA-N 278.352 0.882 10 10 CCCE COc1ccc(N2C[C@@H]3OC[C@H](CO)[C@@H]3C2)c(CN)c1 2235969254 BOIBUJXNJGERDB-WHOFXGATSA-N 278.352 0.597 10 10 CCCE COc1ccc(N2CC3(C2)OC[C@@H](O)[C@H]3O)cc1F 2226773428 CVICSKBMEAAAHS-ZYHUDNBSSA-N 269.272 0.145 10 10 CCCE CNCc1cc(OC)ccc1N1CCCNC(=O)C1 2227675522 IXOYVPMVZKYKED-UHFFFAOYSA-N 263.341 0.741 10 10 CCCE COc1ccc(N2CC[C@H](O)[C@H](CO)C2)c(C=O)c1 2227687687 IAVKGRJOIUVLPF-FZMZJTMJSA-N 265.309 0.687 10 10 CCCE O=c1c2c(ccn1Cc1cc(CO)on1)CCNC2 2228428992 DKAQZMBPRLIWEJ-UHFFFAOYSA-N 261.281 0.023 10 10 CCCE COc1ccc(N2CC(O)(C(N)=O)C2)c(C)c1C 2256997658 LWUZXYOCDUPHED-UHFFFAOYSA-N 250.298 0.348 10 10 CCCE O=C(NCC1(O)CSC1)c1ccc(O)c(O)c1 2248033221 MUJHAIKMDALJCX-UHFFFAOYSA-N 255.295 0.306 10 10 CCCE CSc1ncc(CNS(=O)(=O)[C@H]2CCNC2)s1 2248596709 BJIHGPOJRGMCHG-QMMMGPOBSA-N 293.439 0.646 10 10 CCCE CCCN(C[C@H](C)O)C(=O)c1cc(O)nc(O)c1 2259753746 WISFCPGVHPBAJV-QMMMGPOBSA-N 254.286 0.726 10 10 CCCE CC(=O)c1ccc(O)c(CN2CC[C@@H]2[C@H](O)CO)c1 2270706038 DQZKXOJJAMHJPX-TZMCWYRMSA-N 265.309 0.522 10 10 CCCE Nc1ccc(OCCN2CCC[C@H]3CNC(=O)[C@H]32)cc1 2279278406 XHLMLYDLYKKKMK-FZMZJTMJSA-N 275.352 0.858 10 10 CCCE CNC[C@H](O)CN(C)c1c(OC)cc(OC)cc1OC 2287130891 MGZUZOPTSOZJHP-JTQLQIEISA-N 284.356 0.729 10 10 CCCE COc1cc(N2C[C@@H](O)[C@@H](O)[C@@H]2CF)ccc1CN 2333237889 SGVXBEFFDHIYND-LOWVWBTDSA-N 270.304 0.034 10 10 CCCE Cn1ncc(CN2CCc3cc(O)c(O)cc3C2)n1 2341216961 SFKCBIJYKRCDOB-UHFFFAOYSA-N 260.297 0.785 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CCN[C@@H]2CCC[C@@H]21 2341880565 OWRGNDMPOMOGBV-ZJUUUORDSA-N 263.297 0.459 10 10 CCCE CCOC(=O)C1(c2ccc(O)c(O)c2O)CC(N)C1 1952597780 BRSQTRMBQXKPCC-UHFFFAOYSA-N 267.281 0.725 10 10 CCCE C[C@@H](O)CN(C)C[C@H](O)COc1ccc(N)cc1 51816946 MXMANKMRXATYNX-PWSUYJOCSA-N 254.330 0.321 10 10 CCCE CCN1CCN(C(=O)Nc2cc(O)c(O)c(O)c2)CC1 217278877 OHVPOQVTLQGLQG-UHFFFAOYSA-N 281.312 0.973 10 10 CCCE C[C@H](O)[C@H](NC(=O)CCc1ccc(N)cc1)C(=O)O 134693232 DVXBIHGTUANNED-UFBFGSQYSA-N 266.297 0.152 10 10 CCCE CC(C)NCc1ccc(N2C[C@H](O)[C@@H](O)C2)c(F)c1 232652036 SNLHWLNSWFBUBN-KBPBESRZSA-N 268.332 0.866 10 10 CCCE CC(=O)C(=O)COC(=O)CC1CN(C(=O)OC(C)(C)C)C1 808524064 XEIHRNNEQIUQLO-UHFFFAOYSA-N 299.323 0.945 10 10 CCCE CC(=O)NC1(C(=O)OCC(=O)C(C)=O)CCCC1 808516479 KGGYRGOOQVCFGD-UHFFFAOYSA-N 255.270 0.137 10 10 CCCE CC(=O)C(=O)COC(=O)[C@@H](C)N1CCSCC1 808528742 NPNSWJCWABUOLD-MRVPVSSYSA-N 259.327 0.125 10 10 CCCE CCN(CC)c1ccc(CNC(=O)[C@@H](O)CN)cc1 83482312 VGLLPJBEKGVYNF-ZDUSSCGKSA-N 265.357 0.469 10 10 CCCE O=S(=O)(O)CCCNCc1cc(O)ccc1O 83445987 SQTAKLVMDBFNOS-UHFFFAOYSA-N 261.299 0.465 10 10 CCCE C[C@H](O)c1ccc(N2CC(NS(C)(=O)=O)C2)c(F)c1 703006226 LFJBCFBFHJLTOC-QMMMGPOBSA-N 288.344 0.617 10 10 CCCE CCN1CN(C(=O)c2cccc(O)c2O)CC1=O 791988147 SNDVPCSFAGDLPE-UHFFFAOYSA-N 250.254 0.360 10 10 CCCE CO[C@H]1CN(C(=O)c2ccc(O)c(O)c2)C[C@H]1C(=O)O 690154374 DXFOKFXQRXKYJO-KCJUWKMLSA-N 281.264 0.269 10 10 CCCE Cc1cc(N2CC(=O)NC(=O)C2)ccc1CNC(C)C 97269802 TZSNHFJUDMPJOE-UHFFFAOYSA-N 275.352 0.956 10 10 CCCE Cc1ccc(O)c([C@H](C)N[C@H]2CCO[C@@H]2C(N)=O)c1 2117462075 DQRITHWNVMSTFR-GAFUQQFSSA-N 264.325 0.994 10 10 CCCE CCNCc1cc(F)c(N2CC(O)(CO)C2)c(F)c1 2115311216 RABMZTOENBHODM-UHFFFAOYSA-N 272.295 0.618 10 10 CCCE Nc1ccc(NC(=O)N2C[C@@H]3NC(=O)O[C@@H]3C2)cc1 2120414420 AVACHPOYYUXSOB-VHSXEESVSA-N 262.269 0.593 10 10 CCCE CO[C@H]1COC[C@@H]1N(C)C(=O)Cc1ccc(N)cc1 2120777148 TZAAALHCVRIVKC-STQMWFEESA-N 264.325 0.684 10 10 CCCE COc1ccc(O)c([C@@H](C)N2C[C@H](O)C[C@@H]2CN)c1 2124715296 IFDKROSVNNZZHU-GMTAPVOTSA-N 266.341 0.856 10 10 CCCE OC[C@H]1CN(c2ccc3c(c2)CCC[C@H]3O)C[C@H]1O 2128277133 JZLRDEUTDUDXBK-KCPJHIHWSA-N 263.337 0.846 10 10 CCCE COc1cc(Cl)cc(CN2C[C@@H](O)C[C@H]2CN)c1O 2131041186 SLECXTUJGKKQTG-QWRGUYRKSA-N 286.759 0.948 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CC[C@@H]2CNC[C@H]21 2132403168 ICPQKDNUKVVCFP-VXNVDRBHSA-N 264.281 0.237 10 10 CCCE COc1ccc(CNC2CN(C(N)=O)C2)c(O)c1 1917779382 UBLKIKVITUUTCT-UHFFFAOYSA-N 251.286 0.253 10 10 CCCE CNC(=O)C(C)(C)CNC(=O)c1ccc(O)c(O)c1 227041617 MWXSFAFVNFPUBJ-UHFFFAOYSA-N 266.297 0.600 10 10 CCCE O=C(N[C@H]1CCC[C@@H]1CO)c1ccc(O)c(O)c1 227039550 UCEPJFWRBWPPLX-ZJUUUORDSA-N 251.282 0.989 10 10 CCCE C[C@H]1CNC[C@@H](CO)N1c1ccc2c(c1)OCO2 214568020 ABPLTSJCMXKEII-ONGXEEELSA-N 250.298 0.574 10 10 CCCE NCC[C@@H]1C(=O)NN(c2cccc(Cl)c2)C1=O 106654664 CYNNCZJXBGTGAC-SECBINFHSA-N 253.689 0.683 10 10 CCCE CN1CCCN(CC(=O)c2ccc(O)c(O)c2)CC1=O 228937243 RWTBEIFSJJPLHA-UHFFFAOYSA-N 278.308 0.445 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NCCCN1CCCC1=O 1628978401 CGBOOEKQOHCHFA-UHFFFAOYSA-N 292.335 0.769 10 10 CCCE COc1ccc(N2C[C@@H](N)C[C@H](C(N)=O)C2)cc1Cl 2138250056 DFOSUCUBMPARBQ-IUCAKERBSA-N 283.759 0.988 10 10 CCCE Cc1ccc(O)c(CNC(=O)CCc2nn[nH]n2)c1 1584983240 FREUBTBZYTWCBR-UHFFFAOYSA-N 261.285 0.463 10 10 CCCE COc1cc(N2CC[C@@H](O)[C@H](CO)C2)ccc1CN 2139701822 XQQLLYHXVIPJSE-WCQYABFASA-N 266.341 0.333 10 10 CCCE Cc1cccc(CNC(=O)[C@H](N)CCN(C)C)c1O 2139760317 QRKGEWNQRBMJCA-GFCCVEGCSA-N 265.357 0.596 10 10 CCCE C[C@H](Cc1ccc(O)c(O)c1)C(=O)N1CCOC[C@@H]1CO 169796520 LWGAAAKPCXSDDB-PWSUYJOCSA-N 295.335 0.496 10 10 CCCE C[C@H]1CO[C@@H](CO)CN1c1ccc2c(c1)NC(=O)[C@@H]2N 167229784 XDFSKXORUVELIQ-IYYTYJHQSA-N 277.324 0.225 10 10 CCCE CC1(NC(=O)N[C@@H](Cc2ccc(O)c(O)c2)C(=O)O)CC1 168207353 UQUCHXYJJYSOMU-VIFPVBQESA-N 294.307 0.945 10 10 CCCE CN1C[C@@H](NC(=O)c2cccc(O)c2O)CCC1=O 126447021 XUJNESOAAOMIEE-QMMMGPOBSA-N 264.281 0.448 10 10 CCCE C[C@H](N)c1ccc(N2CCO[C@@H](CS(C)(=O)=O)C2)cc1 2143672808 BJEDGQWVMWYURM-SMDDNHRTSA-N 298.408 0.956 10 10 CCCE Nc1ccc(CCC(=O)N[C@H]2CCNC[C@@H]2O)cc1 1876429166 HVPBUHQTKFQSJL-STQMWFEESA-N 263.341 0.040 10 10 CCCE Nc1ccc(OCCC(=O)NC[C@H]2C[C@H](N)C2)cc1 1876514576 MOXBZLXTKPTOBJ-UMSPYCQHSA-N 263.341 0.891 10 10 CCCE C[C@@]12C[C@@H](CO1)N(C[C@@H](O)COc1ccc(N)cc1)C2 2144575592 JBMWDMBWXFOCGH-GUTXKFCHSA-N 278.352 0.872 10 10 CCCE C[C@@H]1CN(C(=O)[C@@H](N)Cc2ccc(O)c(O)c2)CCS1 137156545 RJJOVEHXKGUTBT-KOLCDFICSA-N 296.392 0.932 10 10 CCCE CC1(C)[C@H](O)C[C@]1(CO)NCc1ccc(O)cc1O 1879567421 UHGZCNYCNJQZJQ-TZMCWYRMSA-N 267.325 0.709 10 10 CCCE CN(CCN(C)S(C)(=O)=O)Cc1ccc(F)cc1O 1971683132 QHIVCKUNAUXHNJ-UHFFFAOYSA-N 290.360 0.855 10 10 CCCE NCCC1CC(NC(=O)Cc2ccc(O)c(O)c2)C1 1973372302 BRSDPIHRZKYGNE-UHFFFAOYSA-N 264.325 0.884 10 10 CCCE Nc1cc2c(cc1N1C[C@H]3C[C@@]3(CO)C1)NC(=O)CO2 2146314502 TXSVATJDOUPONX-CLAHSXSESA-N 275.308 0.418 10 10 CCCE Nc1ccc(OCC(=O)N2CC[C@@H]3[C@@H](CO)[C@@H]3C2)cc1 2149548155 XILLVHWPJVVHLG-BFHYXJOUSA-N 276.336 0.734 10 10 CCCE CC(C)N1CCN(CCc2ccc(N)cc2)C(=O)C1=O 158152101 BJGOBDUWJUMCMU-UHFFFAOYSA-N 275.352 0.891 10 10 CCCE CN1CCCN(CC(=O)N(C)c2ccc(N)cc2)CC1 37272945 CFKNGYDNUWICKX-UHFFFAOYSA-N 276.384 0.869 10 10 CCCE CN(C)c1ccc([C@H](O)[C@@H](N)CC2CS(=O)(=O)C2)cc1 2148388268 XHLDDSUBTMVTSR-KBPBESRZSA-N 298.408 0.548 10 10 CCCE CN(C)C[C@H]1COCCN1CCOc1ccc(N)cc1 2153248488 RJDMGUHOJCPNJF-AWEZNQCLSA-N 279.384 0.910 10 10 CCCE COC[C@@H](C)NC(=O)CN(C)c1ccc(CN)cc1 49290578 WIHBLZHCJMCHLH-LLVKDONJSA-N 265.357 0.733 10 10 CCCE Cc1cc(CN)ccc1N1C[C@H](CO)C[C@@H]1CO 2029385670 RKRUDWGCKIYPNN-CHWSQXEVSA-N 250.342 0.633 10 10 CCCE Nc1ccc(OCC(=O)N2C[C@H](O)[C@H](F)C2)cc1 2031867735 USYVRCLOLJAPPC-MNOVXSKESA-N 254.261 0.189 10 10 CCCE N[C@@H]1CN(C(=O)c2ccc(O)c(O)c2)CC1(F)F 2034603095 ZXFKWHKSVLJCJE-SECBINFHSA-N 258.224 0.516 10 10 CCCE CN(c1c(F)cc(CN)cc1F)C1CS(=O)(=O)C1 2034768428 IJKYTRCBZNYLGQ-UHFFFAOYSA-N 276.308 0.657 10 10 CCCE C[C@@H](c1cc(O)ccc1O)N1CC[C@](N)(C(=O)O)C1 300291986 JXKJVFHKWBXLTB-ISVAXAHUSA-N 266.297 0.647 10 10 CCCE CONCC(=O)N(C)Cc1ccc(N(C)C)cc1 2040602473 DAQIDVISSJUWDY-UHFFFAOYSA-N 251.330 0.862 10 10 CCCE Nc1cc2c(cc1N1CCC(O)(CO)CC1)OCCO2 313665329 XFNNVHYKAFDLKG-UHFFFAOYSA-N 280.324 0.364 10 10 CCCE NCc1ccc(N2C[C@H](O)[C@@H](CO)C2)c(F)c1F 315998997 AZSVNXVOPMVQDC-SCZZXKLOSA-N 258.268 0.213 10 10 CCCE CNC(=O)C[C@@H](C)NC(=O)CCOc1ccc(N)cc1 322545842 UMRLICOUQQMSHY-SNVBAGLBSA-N 279.340 0.679 10 10 CCCE COc1ccc(O)c([C@H](C)N(CC(=O)O)CC(=O)O)c1 86774038 KYPXCHJRPICBAB-QMMMGPOBSA-N 283.280 0.933 10 10 CCCE CC(C)(CNS(C)(=O)=O)NC(=O)Cc1ccc(N)cc1 708233614 GNNWVYQWBZHTAU-UHFFFAOYSA-N 299.396 0.255 10 10 CCCE CCN[C@@H](C)c1ccc(N(C)C(CO)CO)cc1O 382346443 FPHSYLGATNZEQW-JTQLQIEISA-N 268.357 0.852 10 10 CCCE COCC1(O)CN(c2ccc([C@H](C)N)c(O)c2)C1 384182235 WNFBKNHDQFHLOH-VIFPVBQESA-N 252.314 0.609 10 10 CCCE C[C@@H](CN)S(=O)(=O)N(C)Cc1ccccc1O 722275097 KBRYTSRFYJTESV-VIFPVBQESA-N 258.343 0.501 10 10 CCCE COC(=O)C1CN(C(=O)CCOc2ccc(N)cc2)C1 2174410087 ZALYMVNKAVUQFK-UHFFFAOYSA-N 278.308 0.669 10 10 CCCE CN(C)C[C@@H]1CN(C(=O)Cc2ccc(N)cc2)CCO1 829830771 XJOSMLQKHVCEAN-CQSZACIVSA-N 277.368 0.600 10 10 CCCE COc1ccc(N2CCN(C[C@@H](N)[C@H](C)O)CC2)cc1 2175170948 JCIZDTUXHXYMGU-SWLSCSKDSA-N 279.384 0.525 10 10 CCCE O=C(CNC(=O)C1CC1)Nc1ccc(O)c(O)c1 2064492501 KPOQPFOWPAUIHG-UHFFFAOYSA-N 250.254 0.563 10 10 CCCE CCC1(CNC(=O)c2cnn3c(O)cc(C)nc23)COC1 2064641335 SFDORVPDSZJJHM-UHFFFAOYSA-N 290.323 0.900 10 10 CCCE C[C@@H](O)c1ccc(N2CC3(CNS(=O)(=O)C3)C2)cc1O 2176155944 XHHKSRWGKSKMFN-SECBINFHSA-N 298.364 0.185 10 10 CCCE N[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)C2(CCC2)C1 2169197891 MYDZQLURDTVWMV-JTQLQIEISA-N 277.324 0.979 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3C[C@H]4C[C@@H](O)[C@H]3C4)cc21 2177160168 RHXSUIMCKWTJJI-HKSFMPNISA-N 273.336 0.622 10 10 CCCE O=C(CN1C[C@H]2CC[C@]2(CO)C1)c1ccc(O)c(O)c1 2198877809 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2109655831 VDTPJWGODJFVSV-LBPRGKRZSA-N 266.253 0.476 10 10 CCCE O=C(NC[C@@H]1C[C@H]2CC[C@H]1N2)c1cc(O)c(O)c(O)c1 2188908168 AHNMXSGHBDDKLW-IVZWLZJFSA-N 278.308 0.674 10 10 CCCE O=C1NCC[C@H]1CNCc1ccc(O)c(O)c1O 2075994630 PYUNZNNZXYIGRR-QMMMGPOBSA-N 252.270 0.029 10 10 CCCE C[C@H](c1ccccc1O)N1CC(CO)(C(=O)O)C1 2081051259 XZSRSBASKRHVRR-SECBINFHSA-N 251.282 0.832 10 10 CCCE NC(=O)[C@@H](NC[C@@H]1CCCO1)c1c(O)cccc1F 2104474655 UROKLMJIUYYBDD-UFBFGSQYSA-N 268.288 0.826 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)c1nnc2nc[nH]n12 2087646207 TVRQIDVNAYWORH-ZETCQYMHSA-N 260.257 0.106 10 10 CCCE Cc1cc(CN)ccc1N1CC[C@@H](OCC(N)=O)C1 2089131439 OHYHLLRCSVTFDX-GFCCVEGCSA-N 263.341 0.534 10 10 CCCE CN1CCCN(C)[C@@H]([C@H](NN)c2ccccc2O)C1 2090037268 LCQZKJKEYOGYGA-TZMCWYRMSA-N 264.373 0.533 10 10 CCCE CNC(=O)OC1CN(c2ccc([C@@H](C)O)c(O)c2)C1 2090744807 IGFQXTTUXFVENA-MRVPVSSYSA-N 266.297 0.990 10 10 CCCE Nc1ccc(CC(=O)N2CC[C@H]3[C@H](C2)[C@@H]3CO)cc1 2093135548 UDORLRXPMUYAEV-MELADBBJSA-N 260.337 0.898 10 10 CCCE Cc1nccn1CCn1ccc2c(c1=O)CNCC2 2094408200 YWUFIHKJHKXLRJ-UHFFFAOYSA-N 258.325 0.699 10 10 CCCE [N-]=[N+]=N[C@H]1CCC[C@@H]1NS(=O)(=O)c1cc[nH]n1 2213588912 CQGZRQVOYVJSMC-BQBZGAKWSA-N 256.291 0.919 10 10 CCCE CC[C@@H]1C(=O)NC(=O)CN1c1ccc(CN)c(OC)c1 2204549915 UWGXFIJJFLAALJ-LLVKDONJSA-N 277.324 0.395 10 10 CCCE C[C@H](N)c1ccc(N2C[C@@H]3COC[C@]3(CO)C2)cc1O 2234547312 GTICIPZZFQEFPW-FIXISWKDSA-N 278.352 0.857 10 10 CCCE C[C@H](c1ccc(O)cc1O)N1C[C@@H]2CN[C@H](CO)[C@@H]2C1 2235570338 SLXPQQMAROPDPQ-RDBQEKCUSA-N 278.352 0.671 10 10 CCCE COC[C@@H]1[C@H](O)[C@@H](O)CN1c1ccc(OC)cc1F 2226785204 BMXPMBYSJLJNOX-AGIUHOORSA-N 271.288 0.391 10 10 CCCE Cc1c[nH]c(=NS(=O)(=O)Cc2ccc(N)cc2)cn1 2228949330 RBLSAANYTTYBLI-UHFFFAOYSA-N 278.337 0.731 10 10 CCCE CSc1ncc(CNC(=O)[C@H]2CCNO2)s1 2243772410 AQAQASIKCHIFMD-SSDOTTSWSA-N 259.356 0.775 10 10 CCCE CSc1ncc(CNCc2cn(CCN)nn2)s1 2257117468 OCNOQFNTOPLLTQ-UHFFFAOYSA-N 284.414 0.705 10 10 CCCE Cc1cc(N2CC(=O)NC(=O)[C@H]2C)ccc1[C@H](C)O 2269678110 TTYZTGFWKOGMMP-ZJUUUORDSA-N 262.309 0.900 10 10 CCCE C[S@](=O)C1CN(Cc2ccc(N3CCNCC3)cc2)C1 2286067636 CZMXFECZOMHHAK-FQEVSTJZSA-N 293.436 0.659 10 10 CCCE O[C@H](c1ccc(N2CCNCC2)cc1)c1cccnn1 2286072088 XHVGPMCCJHDYNQ-OAHLLOKOSA-N 270.336 0.968 10 10 CCCE COC[C@@H]1C[C@@H](CN)N(C(=O)c2ccc(O)c(O)c2)C1 2289502185 ZJEBXTDMUJNCSF-KOLCDFICSA-N 280.324 0.534 10 10 CCCE O=S1(=O)C[C@@H]2CN(Cc3cc(F)ccc3O)C[C@H]21 2314955022 BBBRGXRLOURZKC-JOYOIKCWSA-N 271.313 0.760 10 10 CCCE C[C@H](CO)C(=O)N1CCc2cc(O)c(O)cc2C1 2318624698 DXDRWQQPWLGFCE-MRVPVSSYSA-N 251.282 0.611 10 10 CCCE COc1cc(N2C(=O)[C@@H]3COC[C@H]3C2=O)ccc1N 2338358617 BYTAOMWNYDCJIS-RKDXNWHRSA-N 262.265 0.413 10 10 CCCE COc1cccc([C@@H]2CS(=O)(=O)CCN2)c1O 1952602322 SIDHVGZSWMXLOV-VIFPVBQESA-N 257.311 0.460 10 10 CCCE CNC(=O)CN(C)c1cc(OC)c(OC)cc1N 213436497 ZJLSIDPMXLEGSM-UHFFFAOYSA-N 253.302 0.468 10 10 CCCE Nc1ccc(N2C(=O)C[C@H](N3CCOCC3)C2=O)cc1 32500287 QZZMYVJDJATVQW-LBPRGKRZSA-N 275.308 0.233 10 10 CCCE [N-]=[N+]=NCCN[C@@]1(C(=O)O)CCN2CCCC[C@@H]21 227923202 FUIDQEGKIXNQOE-KOLCDFICSA-N 253.306 0.968 10 10 CCCE CC(=O)NCCNC(=O)CSc1nccs1 193700094 CUKMBBGYHIYNIT-UHFFFAOYSA-N 259.356 0.488 10 10 CCCE NCCOCc1nc(-c2ccc(O)c(O)c2)no1 236219542 MNFBLMKVGLSTBT-UHFFFAOYSA-N 251.242 0.623 10 10 CCCE CC(=O)N(C(=S)N1CCNCC1)c1ccc(N)cc1 244405497 YMUXSTDTUHBTEX-UHFFFAOYSA-N 278.381 0.812 10 10 CCCE CCNC(=O)[C@H]1CNCCN1[C@H](C)c1ccc(O)cc1O 250321150 NDUZQRCZKHEDGO-ZWNOBZJWSA-N 293.367 0.569 10 10 CCCE CC(=O)C(=O)COC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C 808544794 IVMFURCRCJYAME-QMMMGPOBSA-N 297.229 0.391 10 10 CCCE CN1C(=O)[C@H](O)c2ccc(N3CC([C@H](F)CO)C3)cc21 2166893734 DIEDIRZIKPQKMY-DGCLKSJQSA-N 280.299 0.463 10 10 CCCE CN1CCc2cc([C@H](O)[C@@H]3CO[C@@H]4CNC[C@H]43)ccc21 2163076848 RLVPKJINPMZYSJ-XNISGKROSA-N 274.364 0.947 10 10 CCCE CN[C@H](C)C[C@H](C)CNC(=O)c1cc(O)nc(O)c1 721630849 IAKVPGKHDNAUFX-DTWKUNHWSA-N 267.329 0.857 10 10 CCCE COc1ccc(N(C)CCN(C)CC(=O)NC(N)=O)cc1 844399109 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OC[C@@H]1CN(c2ccc3c(c2)OCCO3)CCCN1 217095327 AMOJCIHOYNZRTB-NSHDSACASA-N 264.325 0.618 10 10 CCCE COc1ccc(N2C[C@H](O)CN[C@H](C)C2)c(OC)c1 217180312 KCINSZNGSJSENJ-GHMZBOCLSA-N 266.341 0.863 10 10 CCCE CCN(C(=O)Cc1ccc(O)c(O)c1)[C@H]1CCNC1=O 1556361248 PTABQMPJHCHKKL-JTQLQIEISA-N 278.308 0.377 10 10 CCCE C[C@@H](NCc1cc2c(cc1O)OCO2)C(=O)NC1CC1 228953495 NYCVSABPVWRERI-MRVPVSSYSA-N 278.308 0.878 10 10 CCCE [N-]=[N+]=NCCCNC1(C(N)=O)CSCCSC1 2215582041 QFPHQSXORXIDBM-UHFFFAOYSA-N 275.403 0.981 10 10 CCCE CN(C[C@@H](O)CO)c1ccc2c(c1)OCCCO2 258979356 LYVFYCLYTSCTBE-LLVKDONJSA-N 253.298 0.637 10 10 CCCE C[C@H]1CCN(C(=O)COc2ccc(N)cc2)C[C@H]1O 230210073 SYHZLMZIBYMBOR-GXFFZTMASA-N 264.325 0.877 10 10 CCCE [N-]=[N+]=NC1CCN([C@H]2CC(CO)(CO)C[C@H]2O)CC1 2141454107 UOESAECIPMUAIB-WDEREUQCSA-N 270.333 0.255 10 10 CCCE CN1C(=O)N=C(N)/C(=C/c2ccc3c(c2)OCO3)C1=O 209876659 HPYIFOYGUBEKCP-YWEYNIOJSA-N 273.248 0.748 10 10 CCCE COc1cc2c(cc1OC)N(C)C[C@@H](C(=O)O)[C@H]2O 250594562 IHTXZZNGJAMFSN-PELKAZGASA-N 267.281 0.888 10 10 CCCE COCCOC(=O)c1nnn(-c2ccc(N)cc2)n1 1857879078 UDWQROXJQGUMRG-UHFFFAOYSA-N 263.257 0.048 10 10 CCCE Cc1ccc(O)c(CN[C@@H]2CCn3nnnc3C2)c1 1875667817 XGXNBDLUZKSJTM-LLVKDONJSA-N 259.313 0.792 10 10 CCCE CN(C(=O)CCOc1ccc(N)cc1)[C@@H]1CCNC1 1876449498 QAFRSEBLGLRMLT-GFCCVEGCSA-N 263.341 0.858 10 10 CCCE CC(C)(C)OC(=O)N[C@@H](CNN)Cc1ccc(O)c(O)c1 1951507377 RCWZKEWSNMYSOH-SNVBAGLBSA-N 297.355 0.997 10 10 CCCE Nc1ccc(CNC(=O)[C@H]2[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 1968570351 OCDIODRZOYRWGM-GDNZZTSVSA-N 280.349 0.176 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC[C@@H]2CCNC[C@H]2C1 2148936731 SEFWGPXSVNXQHO-ONGXEEELSA-N 277.324 0.564 10 10 CCCE Nc1cc2c(cc1N1C[C@@H](CO)C[C@@H]1CO)OCCO2 2146075144 AUTPWWOWLPULRS-VHSXEESVSA-N 280.324 0.220 10 10 CCCE CCOC(=O)[C@@]1(N)Cc2cc(OC)ccc2N(C)C1 261092922 VIQLRNHUHQEHDT-CQSZACIVSA-N 264.325 0.948 10 10 CCCE COCCNC(=O)NC(=O)COc1ccc(N)cc1 38055416 UINRVLJGLCLHGM-UHFFFAOYSA-N 267.285 0.120 10 10 CCCE CN(C)c1ccc(CN(C)[C@H]2COC[C@@H]2O)cc1 2026973903 MIQFQEJZJJEJOT-KBPBESRZSA-N 250.342 0.944 10 10 CCCE C[C@]1(O)CON(C(=O)COc2ccc(N)cc2)C1 2032464846 XMZMCKNTNKKWPQ-GFCCVEGCSA-N 252.270 0.172 10 10 CCCE C[C@@H]1C[C@@H](O)CN(c2cc3c(cc2N)OCC(=O)N3)C1 401930080 BQJQVSNBMOPMAA-RKDXNWHRSA-N 277.324 0.807 10 10 CCCE C[C@H]1[C@H](NC(=O)Cc2ccc(N)cc2)CCS1(=O)=O 311894807 OYTKTCYUGBDOEO-JOYOIKCWSA-N 282.365 0.503 10 10 CCCE COc1ccc(CNCC(=O)N2CCOCC2)c(O)c1 312828777 JNZOUXBHAGAZQU-UHFFFAOYSA-N 280.324 0.349 10 10 CCCE COC1(C(N)=O)CN(c2ccc(CNC3CC3)cc2)C1 2161183257 HQTYRVCJAQSAGG-UHFFFAOYSA-N 275.352 0.629 10 10 CCCE C[C@@H]1C[S@@](=O)CCN1c1cc2c(cc1F)[C@H](O)C(=O)N2 2171965901 SSJANISJNYBJJO-DKZRERMLSA-N 298.339 0.768 10 10 CCCE Nc1ccc(CC(=O)N[C@H](C(=O)O)[C@@H]2CCCO2)cc1 2172522917 HKHHHMALVQVYKN-AAEUAGOBSA-N 278.308 0.560 10 10 CCCE C[C@H]1CN(C(=O)c2cccc(O)c2O)C[C@H]1CO 708617379 JJPIDISDBDFYRO-IUCAKERBSA-N 251.282 0.798 10 10 CCCE CN1CCc2cc(CN(C)C3(C(=O)O)COC3)ccc21 2173121521 JHOCNTMHGHSCTP-UHFFFAOYSA-N 276.336 0.964 10 10 CCCE CN(C)C[C@@]1(O)CCN(c2ccc(CN)c(F)c2F)C1 713653348 IMHIMEVZSQPCLQ-AWEZNQCLSA-N 285.338 0.926 10 10 CCCE Cc1cc(N2CC[C@](O)(CN(C)C)C2)ccc1CO 713709894 FHVQBSDMKUZOQD-HNNXBMFYSA-N 264.369 0.990 10 10 CCCE Nc1ccc(NC(=O)CCN2CCN3CC[C@H]2C3)cc1 381741997 ZLEMGEAYRAWBEY-AWEZNQCLSA-N 274.368 0.987 10 10 CCCE CN(CCCC(=O)Nc1ccc(N)cc1)CCC(N)=O 381960217 DLCRCSFRXJJMDF-UHFFFAOYSA-N 278.356 0.795 10 10 CCCE COc1ccc(N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1F 2173418168 KGVSXFZVJMQHNN-ZYHUDNBSSA-N 279.315 0.583 10 10 CCCE COCC1(O)CN(c2c(F)cc(CN)cc2F)C1 383949707 BUBDVMIPHZDGMG-UHFFFAOYSA-N 258.268 0.621 10 10 CCCE Cn1c(=O)ccn(CCCOc2ccc(N)cc2)c1=O 697811935 QRXDZMOZSMZKIN-UHFFFAOYSA-N 275.308 0.598 10 10 CCCE CNC(=O)CC[S@](=O)CC(=O)Nc1ccc(N)cc1 399382892 XRPYDCKRXDQKCB-IBGZPJMESA-N 283.353 0.092 10 10 CCCE C[C@@H](O)[C@H]1CN(c2cc3c(cc2N)OCCO3)CCO1 2174150235 IJFGILYFXVFAQX-YMTOWFKASA-N 280.324 0.626 10 10 CCCE NC(=O)CN(Cc1ccc(N)cc1)c1ccnc(O)c1 2167166490 UHZSQGYALDZPHW-UHFFFAOYSA-N 272.308 0.861 10 10 CCCE C[C@@H](NCCN1CCNC(=O)C1)c1cc(F)ccc1O 2062447615 QMTAVELNXVCTML-SNVBAGLBSA-N 281.331 0.614 10 10 CCCE COc1cccc(O)c1CN1C[C@@H]2CCO[C@@]2(CN)C1 2175190644 RVNDLOMBRSNHRF-NHYWBVRUSA-N 278.352 0.950 10 10 CCCE C[C@@H]1CNC(=O)CN1C(=O)[C@H]1CNc2ccccc2N1 2181175076 VCPYZVXJTKMSJB-BXKDBHETSA-N 274.324 0.240 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N(C1CCC1)C1CNC1 2188919322 LXBCUZPFCNOPID-UHFFFAOYSA-N 278.308 0.770 10 10 CCCE NC[C@H]1[C@H]2CC[C@@H](C2)N1C(=O)c1cc(O)c(O)c(O)c1 2188911674 DVEYGCYNCTYJQX-HGNGGELXSA-N 278.308 0.755 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CCO[C@@H]2C[C@H](O)C[C@@H]21 2185338252 UHZBINPLSNNIQL-GBIKHYSHSA-N 279.292 0.462 10 10 CCCE C[C@@H]1C[C@@H](CNC(=O)c2cccc(O)c2O)CN1 2042393925 NFYUVPJJQNXHTG-RKDXNWHRSA-N 250.298 0.826 10 10 CCCE C[C@@H]1CN(C(=O)Cc2ccc(N)cc2)CC[S@]1=O 2051911014 YVGHULXCOSVJDC-MLCYQJTMSA-N 266.366 0.791 10 10 CCCE NC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(O)c(O)c1 2053790084 VITMZUPGUYYXCE-ZJUUUORDSA-N 250.298 0.841 10 10 CCCE CS(=O)(=O)[C@@H]1CCN(CCc2ccc(N)cc2)C1 2059356029 IGUXXACLOFWGQN-CYBMUJFWSA-N 268.382 0.930 10 10 CCCE C[C@H]1COC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2068579999 ZZGWCHQAEMVJEW-XPUUQOCRSA-N 253.254 0.568 10 10 CCCE Nc1ccc(NC(=O)NC[C@H]2COC[C@@H]2O)cc1 2071564303 WCEPHAHOFLETJT-KWQFWETISA-N 251.286 0.398 10 10 CCCE C[C@]1(O)CCN(c2ccc(CN)cc2F)C[C@@H]1O 2077302576 RNNATEBFRPPTMK-STQMWFEESA-N 254.305 0.606 10 10 CCCE CNC(=O)[C@@H]1CNCCN1c1ccc(OC)c(F)c1F 2201642267 NEAOGRWQPATOGB-VIFPVBQESA-N 285.294 0.498 10 10 CCCE CS(=O)(=O)[C@H]1COC[C@H]1NCc1ccccc1O 2086310131 ODKYYKLHGBXWCT-PWSUYJOCSA-N 271.338 0.294 10 10 CCCE Nc1ccc(O)c(CN2CC[C@H](C(CO)CO)C2)c1 2114239546 HTWWVURBBZZCIU-JTQLQIEISA-N 266.341 0.397 10 10 CCCE COc1cc(N2C[C@]3(CO)C[C@@]3(CO)C2)ccc1CN 2204540482 YPWNPZCFNPVDCU-GJZGRUSLSA-N 278.352 0.335 10 10 CCCE Cc1cccc(CNS(=O)(=O)N2CCNC[C@@H]2C)c1O 2204628743 ABTWNHDZSDRPRC-NSHDSACASA-N 299.396 0.329 10 10 CCCE Nc1snnc1-c1nc(-c2ncccc2O)no1 2220469192 BFGCLNZWIXZENJ-UHFFFAOYSA-N 262.254 0.938 10 10 CCCE COc1ccc(N2C[C@@H](F)[C@@H](CO)C2)c(CN)c1 2220415688 UADMBTNNCWKKGF-ZYHUDNBSSA-N 254.305 0.921 10 10 CCCE CNCCn1cnc(C(=O)NCc2ccccc2O)c1 2233743217 PLLMHNHIBKKAID-UHFFFAOYSA-N 274.324 0.738 10 10 CCCE COc1ccc(N2CC[C@@]3(CNC(=O)C3)C2)c(CO)c1 2236002347 MQJJPUMMENBUEG-OAHLLOKOSA-N 276.336 0.904 10 10 CCCE COc1ccc(N2CCC[C@@H]2[C@H](O)CO)c(CO)c1 2227710358 FAMSHLJVRLNDNK-ZIAGYGMSSA-N 267.325 0.510 10 10 CCCE NCc1ccc(N2C[C@H](CO)C[C@@H](CO)C2)c(F)c1 2228401109 ADQVRVZZJRNRCD-VXGBXAGGSA-N 268.332 0.712 10 10 CCCE COc1cccc(O)c1CNCCN1C[C@H](C)NC1=O 2239276417 LCYOXEDQDPWXLR-JTQLQIEISA-N 279.340 0.904 10 10 CCCE CSc1ncc(CNC(=O)[C@H]2CCOCCN2)s1 2257621801 MKCDYMAIUZVUDU-SECBINFHSA-N 287.410 0.860 10 10 CCCE N[C@]1(C(=O)C(=O)C[C@H]2C[C@H](N)C2)C[C@H]2CCC[C@@H]21 2260005077 DHEWWBBCEKOQII-XXUISHGZSA-N 250.342 0.770 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N3CC[C@H](O)[C@H]3C)ccc21 2273273329 CBDBHVSHFJABRJ-OXHMUOHRSA-N 261.325 0.859 10 10 CCCE O=C(O)[C@H]1CC[C@H](O)CN1C(=O)c1cccc(O)c1O 2279204347 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0.942 10 10 CCCE O=S1(=O)CC[C@H](NCc2cccc(O)c2O)C1 42290232 CLQMFBJTTPHLON-VIFPVBQESA-N 257.311 0.375 10 10 CCCE COC(=O)[C@@H](C)S(=O)(=O)NCCCCN=[N+]=[N-] 231733643 KYDXICKXYGQJBL-SSDOTTSWSA-N 264.307 0.558 10 10 CCCE C[C@H](N)c1ccc(N2CC[C@@H]3C[C@H]2[C@@H](O)[C@@H]3O)cc1O 2357592164 FRTHPNQLSYCCPG-JRIPDTHKSA-N 278.352 0.732 10 10 CCCE COC(=O)[C@@H]1CN(C(=O)COc2ccc(N)cc2)C[C@H]1C 95016891 LEVUFUYQARHSSE-ZWNOBZJWSA-N 292.335 0.915 10 10 CCCE CCN(CCN=[N+]=[N-])C[C@@H](O)CN(C)CCOC 2315987131 NXFBNGVQTXGAMO-NSHDSACASA-N 259.354 0.558 10 10 CCCE COCCCOc1ccc(C(=O)OCC(=O)C(C)=O)cn1 808512046 NNFWCBBQSCBQEK-UHFFFAOYSA-N 295.291 0.812 10 10 CCCE COC(=O)N[C@H](C(=O)OCC(=O)C(C)=O)C(C)C 808518113 YYZKSMNDYVEIBP-VIFPVBQESA-N 259.258 0.068 10 10 CCCE CN1CCc2cc([C@H](O)[C@]3(C(=O)O)CCCN3)ccc21 2164846926 VYECDWROQWDFCY-ZFWWWQNUSA-N 276.336 0.919 10 10 CCCE CN1CCc2cc([C@@H](N)[C@]3(O)CN4CC[C@H]3C4)ccc21 2163126567 JXQRNFIENMCSIW-IMJJTQAJSA-N 273.380 0.745 10 10 CCCE CC(C)(O)[C@H](NC(=O)c1ccc(O)c(O)c1)C(=O)O 2131483975 PQONBEPPZUGMSN-SECBINFHSA-N 269.253 0.052 10 10 CCCE C[C@@H](N)c1ccc(N2CCN(CC(N)=O)CC2)cc1 723174357 BELKEIYWKKBEOF-LLVKDONJSA-N 262.357 0.314 10 10 CCCE O=C(c1cc(O)cs1)N1CC(CN2CCOCC2)C1 854589109 AUYLPJYKUAROQE-UHFFFAOYSA-N 282.365 0.858 10 10 CCCE CN(C)CCNCc1cc(O)c(O)c([N+](=O)[O-])c1 83408876 WUMIOAMAJFIXDN-UHFFFAOYSA-N 255.274 0.657 10 10 CCCE N[C@@H](c1nnc(C2(C(=O)O)CC2)o1)c1ccccc1O 83542852 UQGINNVJASKHSS-SECBINFHSA-N 275.264 0.940 10 10 CCCE CNC(=O)CN1CCN(c2ccc(CN)c(C)c2)CC1 704366070 HPGKONSEKNNVHX-UHFFFAOYSA-N 276.384 0.322 10 10 CCCE COC[C@@H](CN(C)C(=O)Cc1ccc(N)cc1)OC 691348155 XARXQOLCHQJPPN-CYBMUJFWSA-N 266.341 0.931 10 10 CCCE COC1(OC)CC[C@@H]1NC(=O)c1ccc(O)c(O)c1 711407923 RNNNRBFYOLAOBU-NSHDSACASA-N 267.281 0.979 10 10 CCCE C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)Nc1ccc(N)cc1 711729279 MGPKJWHVYSVSMP-KCJUWKMLSA-N 283.353 0.823 10 10 CCCE O=C(NC[C@H]1C[C@H]1C(=O)O)c1ccc(O)c(O)c1 715299497 ZECSHAKNVMAOMR-HTQZYQBOSA-N 251.238 0.548 10 10 CCCE COc1ccc(CN2CCO[C@]3(CCNC3)C2)c(O)c1 717409166 CJBCBCIQQXCBPQ-HNNXBMFYSA-N 278.352 0.965 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC[C@@H]1CC12CC2 697487251 NNCOJPBFGXDXKS-QWRGUYRKSA-N 276.336 0.884 10 10 CCCE CN1CCCc2cc(CNC[C@](C)(O)CO)ccc21 90284639 MWJGTDREJHDVAA-HNNXBMFYSA-N 264.369 0.902 10 10 CCCE Oc1cccc(F)c1CNc1ccc2nnnn2n1 1164185683 QEOTXIFBVGZEGM-UHFFFAOYSA-N 260.232 0.976 10 10 CCCE CN(C1COC1)C1CN(CCc2ccc(N)cc2)C1 2116488019 MWXGOUQCXIWPDS-UHFFFAOYSA-N 261.369 0.826 10 10 CCCE Nc1ccc(CC(=O)N2C[C@@H]3C[C@@H](CO)[C@@H]3C2)cc1 2117685482 YXFSYANSXUNQSC-SGMGOOAPSA-N 260.337 0.898 10 10 CCCE CN1CCN(c2ccc3c(c2)CC[C@@H]3N)C[C@@H]1CO 2128319043 PEYLAHDIZALSBK-HIFRSBDPSA-N 261.369 0.745 10 10 CCCE COCC(=O)N1CCN(c2ccc(CO)cc2)CC1 2126181142 WAROUNOSXKUXGT-UHFFFAOYSA-N 264.325 0.474 10 10 CCCE Nc1ccc(N2CCN(c3nccnn3)CC2)cc1 2126166108 FBSCTBYDXZJWND-UHFFFAOYSA-N 256.313 0.780 10 10 CCCE C[C@H](N[C@H]1CS(=O)(=O)C[C@@H]1O)c1cc(F)ccc1O 2121362404 ATMNIMMFZJXGJJ-JWYUURKGSA-N 289.328 0.340 10 10 CCCE C[C@@H](c1ccccc1O)N(C)CC(CO)(CO)CO 2123207996 BZSQSDZHEVNJIF-NSHDSACASA-N 269.341 0.348 10 10 CCCE CC1(C)CN(C(=O)c2cc(O)c(O)c(O)c2)[C@@H]1CO 2132349129 ZCVYVYUKBPQGPH-SNVBAGLBSA-N 267.281 0.646 10 10 CCCE CN(C(=O)c1cc(O)c(O)c(O)c1)[C@H]1CCC[C@@H]1O 2132348184 GDLJVTSMOZHJIC-IUCAKERBSA-N 267.281 0.789 10 10 CCCE O=C(N[C@H]1C[C@@H]([C@@H](F)CO)C1)c1ccc(O)c(O)c1 1906452269 ATLYZJRZSLFIPW-AEJSXWLSSA-N 269.272 0.937 10 10 CCCE [N-]=[N+]=N[C@H]1CCCN(CC(=O)NCCCC(=O)O)C1 1912144163 PCBZBGFPFWJROF-VIFPVBQESA-N 269.305 0.742 10 10 CCCE [N-]=[N+]=NC1CCN(C(=O)Cc2cc(O)nc(O)n2)CC1 1912167867 QDJMVRHGYSUVIC-UHFFFAOYSA-N 278.272 0.732 10 10 CCCE CCOC(=O)CCS(=O)(=O)N1CC[C@H](CN=[N+]=[N-])C1 1912190069 YKLVXBMEKZWPRA-SECBINFHSA-N 290.345 0.902 10 10 CCCE O=C(O)[C@H]1C[C@H](O)CN(Cc2cc(F)ccc2O)C1 2136341394 ZTEVYVBKUYDDMC-ONGXEEELSA-N 269.272 0.799 10 10 CCCE O=C(O)[C@@H]1C[C@@H](O)CCN1Cc1cc(F)ccc1O 2136386577 JSFFBQPLXYQXTP-QWRGUYRKSA-N 269.272 0.941 10 10 CCCE CS(=O)(=O)N1CCN(C(=O)CCCN=[N+]=[N-])CC1 218601926 NXWGFJZXMVPENU-UHFFFAOYSA-N 275.334 0.181 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCCNC1=O 1468243082 BXZJOVGUQTZFST-VIFPVBQESA-N 264.281 0.035 10 10 CCCE COCCNC(=O)[C@@H](C)NCc1cccc(OC)c1O 228992745 IMDLFHFUMOUQBT-SNVBAGLBSA-N 282.340 0.642 10 10 CCCE CC1(C)C[C@@H](N)CN1C(=O)Cc1ccc(O)c(O)c1 1927020767 KDECWMXXJOGMPT-SNVBAGLBSA-N 264.325 0.979 10 10 CCCE N[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)C2(CCC2)C1 1927012746 DWLKHMBEHIWLBE-VIFPVBQESA-N 263.297 0.589 10 10 CCCE Cc1cc(CN)ccc1N1CCN(C)C[C@H]1CCO 2138084767 SNONVIWCKBUBSR-CQSZACIVSA-N 263.385 0.957 10 10 CCCE Nc1ccc2c(c1)CC(=O)N2C(=O)CCCC(=O)O 258791282 UYULSLRZFNNVLJ-UHFFFAOYSA-N 262.265 0.939 10 10 CCCE Cc1cccc(CNC(=O)[C@@H]2COCCN2C)c1O 2139758858 UOWORTUAYLMHMV-LBPRGKRZSA-N 264.325 0.647 10 10 CCCE Cc1cc(/C=C/C(=O)O)ccc1N1CCOC[C@H]1C(N)=O 159026522 GBWJHQQJEHVOGU-LQPUYASZSA-N 290.319 0.783 10 10 CCCE COCN1C(=O)CCc2cc(N3CCNCC3)ccc21 259459281 MVHROOMIZRPFKY-UHFFFAOYSA-N 275.352 0.979 10 10 CCCE C[C@H](CN)CNS(=O)(=O)CCOc1ccc(N)cc1 1876415029 CFWJJKYHDXNFQN-SNVBAGLBSA-N 287.385 0.162 10 10 CCCE CC1(C)CNCCN1S(=O)(=O)Cc1ccc(N)cc1 1876540091 OJLWSXBHUULDCA-UHFFFAOYSA-N 283.397 0.782 10 10 CCCE O=C(O)C[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1 2144028976 GDLCVHMPPMSLJR-JTQLQIEISA-N 279.292 0.964 10 10 CCCE N[C@@]12CCC[C@@H]1CN(C(=O)Cc1ccc(O)c(O)c1)C2 1971164718 YMZJYUMKJMANJO-IAQYHMDHSA-N 276.336 0.980 10 10 CCCE C[C@H](c1cc(O)ccc1O)N1CCO[C@H]2[C@@H]1[C@H]2C(=O)O 2149277304 SGLOGAILIYMVOW-WXVIEYFRSA-N 279.292 0.943 10 10 CCCE NS(=O)(=O)CCNCc1c(O)ccc2ccccc12 36745402 HYFVDGPIRZAFQW-UHFFFAOYSA-N 280.349 0.924 10 10 CCCE COc1cccc(CN2CCOC[C@H](C(=O)O)C2)c1O 700375376 JSPMFGJJUUHHLQ-LLVKDONJSA-N 281.308 0.934 10 10 CCCE CN(C)c1ccc([C@@](C)(O)[C@@](C)(O)C(=O)O)cc1 2029891940 ZNBYHLMUFSZUPH-OLZOCXBDSA-N 253.298 0.796 10 10 CCCE COC(=O)[C@H](C)NC(=O)NCCOc1ccc(N)cc1 2156996730 NYOZTRXANKDVPF-VIFPVBQESA-N 281.312 0.508 10 10 CCCE CC(C)n1cnc([C@@H](NCCN=[N+]=[N-])C(N)=O)c1 2036863860 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O=C(N[C@H]1C[C@H]2CN[C@@H](C2)C1)c1cccc(O)c1O 709371686 QWSQOGSNOZNWKM-GUBZILKMSA-N 262.309 0.968 10 10 CCCE Nc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](O4)[C@@H]3C2=O)cc1 381683241 BQQRPBZFBOHSHD-WYUUTHIRSA-N 256.261 0.712 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CCC(O)(C(=O)O)CC1 386692073 RXFIQJOXCJBXAS-UHFFFAOYSA-N 281.264 0.150 10 10 CCCE C[C@@H](NCc1cc(=O)n(C)[nH]1)c1c(O)cccc1O 391453729 SNMRGSKRVUFQHP-MRVPVSSYSA-N 263.297 0.975 10 10 CCCE CCN1C[C@@H](NCc2ccc(O)cc2O)CC1=O 391584723 ZOUXAGQEXFACSN-JTQLQIEISA-N 250.298 0.808 10 10 CCCE CN1C(=O)CC[C@H]1C(=O)Nc1ccc(O)c(O)c1 2063310749 WUHLFZXBGFYWFT-QMMMGPOBSA-N 250.254 0.657 10 10 CCCE CO[C@H](CNC(=O)c1cnn2c(O)cc(C)nc12)C1CC1 2064628117 GSICBMDTVIWEEM-LLVKDONJSA-N 290.323 0.898 10 10 CCCE CC(C)[C@H]1C(=O)NCCN1C(=O)c1cc(O)nc(O)c1 2170031539 SDVYZHFWOWJAJT-NSHDSACASA-N 279.296 0.089 10 10 CCCE COCCN1C[C@@H](O)[C@H](N(C)Cc2ccccc2O)C1 2192604806 MHUKZUOBYYVUSG-UKRRQHHQSA-N 280.368 0.516 10 10 CCCE COc1ccc(O)c(CN2C[C@@H](N)CC[C@H]2C(=O)O)c1 2188787920 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CN(Cc1ccccc1O)C(=O)[C@@H]1CCOC[C@@H]1N 2102773173 HQPMVHLHXLBFRV-NEPJUHHUSA-N 264.325 0.714 10 10 CCCE CCOC(=O)[C@@H](O)CNCc1cccc(C)c1O 2084068295 NOFNBPSCLDUWCJ-NSHDSACASA-N 253.298 0.714 10 10 CCCE CNC(=O)OCCCNCc1ccc(O)c(O)c1O 2104893228 WWUVGOWYSYYEJF-UHFFFAOYSA-N 270.285 0.639 10 10 CCCE c1cc2c(cc1N1CCO[C@H]3CNC[C@@H]31)COCC2 2106363856 BMBGCKCNWUXKNX-GJZGRUSLSA-N 260.337 0.936 10 10 CCCE CNCc1ccc(N2C[C@H](CO)C[C@H]2CO)c(F)c1 2089868131 MZFOIGXOBDDCTQ-NEPJUHHUSA-N 268.332 0.725 10 10 CCCE CN[C@H]1COCCN(C(=O)c2cccc(O)c2O)C1 2095858545 YMHAVDUNNSIMKQ-SECBINFHSA-N 266.297 0.158 10 10 CCCE COC[C@@]1(C(=O)NCc2cccc(C)c2O)CCNC1 2204607358 ABKLLKXWUXMKAN-OAHLLOKOSA-N 278.352 0.943 10 10 CCCE N=c1nnc(OC[C@@H]2C[C@@H]3CCCC[C@@H]3O2)n[nH]1 2219014462 FTQHITIQEWSMCX-CIUDSAMLSA-N 251.290 0.406 10 10 CCCE N=c1nnc(OC[C@@H]2C[C@@H]3CCCC[C@H]3O2)n[nH]1 2219014465 FTQHITIQEWSMCX-XHNCKOQMSA-N 251.290 0.406 10 10 CCCE CN(C)c1ccc(O[C@@]2(C(=O)O)CCNC2)cc1 2221873701 FMCCCLJXOAKNNM-ZDUSSCGKSA-N 250.298 0.948 10 10 CCCE Nc1ccc(OC[C@@H](O)CN2C[C@@H](O)C[C@@H](F)C2)cc1 2234660374 OINVIPFFSRZINL-WXHSDQCUSA-N 284.331 0.413 10 10 CCCE COc1cc(N2CC(OCCO)C2)cc(OC)c1OC 2235135759 UOBBMYVKGCOCIF-UHFFFAOYSA-N 283.324 0.910 10 10 CCCE OC[C@@H]1C[C@H](CO)N(c2ccc3c(c2)OCCO3)C1 2226775043 LCGNBQZGMNGCGX-ZYHUDNBSSA-N 265.309 0.637 10 10 CCCE CNCc1ccc(N2C[C@@H]3C[C@H](O)[C@@H](O)C[C@H]3C2)cc1 2236991957 ZIUAAAWHKRYJKZ-SDADXPQNSA-N 276.380 0.974 10 10 CCCE COc1ccc(N2C[C@@H]3CN[C@H](CO)[C@H]3C2)cc1F 2227328850 RFWDEDXPXWUHMI-XHVZSJERSA-N 266.316 0.851 10 10 CCCE C[C@H]1CNCCN1C(=O)COc1ccc(N(C)C)cc1 2237679914 ILFQBEIQMIPDMK-LBPRGKRZSA-N 277.368 0.952 10 10 CCCE COCCOCCOCC(=O)N1CC[C@H](N=[N+]=[N-])C1 2227742550 GDTQLYZHHKUKDQ-JTQLQIEISA-N 272.305 0.577 10 10 CCCE COc1ccc(N2CC[C@@H]2[C@@H](O)CO)c(CN)c1 2258353513 OFNMKDHWGBOWRW-OLZOCXBDSA-N 252.314 0.086 10 10 CCCE Cc1cc(N2CC[C@](O)(CO)[C@H](O)C2)ccc1[C@H](C)O 2285159896 ZBFBEFQUQKFZPU-GLQYFDAESA-N 281.352 0.343 10 10 CCCE COc1cc(N2CC(O)(C(F)(F)CO)C2)ccc1CO 2288526972 GUGIOOGMOUCEIW-UHFFFAOYSA-N 289.278 0.366 10 10 CCCE C[C@@H](NC[C@@H]1COC[C@@H]1O)c1ccc(O)cc1O 2308382205 RLQSBRLGNUQTJU-KKFJDGPESA-N 253.298 0.756 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@H]2[C@H]3COCC[C@H]32)cc1 2331248535 ARJAGBDUFHDNHK-AGIUHOORSA-N 282.365 0.723 10 10 CCCE C[C@@]1(N)CN(C(=O)c2cc(O)nc(O)c2)CC1(F)F 2336638885 UWQYPUGSYFSXBD-SNVBAGLBSA-N 273.239 0.301 10 10 CCCE Nc1ccc(OC[C@@H](O)CSc2ncn[nH]2)cc1 51328254 LKRDQKGXUHPIRG-SECBINFHSA-N 266.326 0.919 10 10 CCCE CC(=O)C(=O)[C@@H](O)C1(NC(=O)OC(C)(C)C)CC1 1934406497 HJIDRDQXFJDGLB-SECBINFHSA-N 257.286 0.563 10 10 CCCE COc1ccc(N2CCN(C(=O)[C@@H]3CCNC3)CC2)cc1 62112299 WYGMCEXGHIPDQZ-CYBMUJFWSA-N 289.379 0.953 10 10 CCCE C[C@@H](N)c1ccc(N2CC[C@H]3C[C@H]2[C@@H](O)[C@H]3O)cc1O 2357586913 FRTHPNQLSYCCPG-LYSHGNGDSA-N 278.352 0.732 10 10 CCCE CC(C)(CNC(=O)c1cc(O)c(O)c(O)c1)C(N)=O 1148589611 DRLJZEIIZJJSLM-UHFFFAOYSA-N 268.269 0.045 10 10 CCCE CCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 40486855 QXPORJXGQBBLFG-UWVGGRQHSA-N 296.323 0.337 10 10 CCCE COc1cccc(CN2CCN(CCO)[C@H](C)C2)c1O 190236528 PPPITMGOJCVIBR-GFCCVEGCSA-N 280.368 0.899 10 10 CCCE NC(=O)[C@H]1CCN(C(=O)c2ccc(O)c(O)c2)C1 227026832 PUZNXCQXPUHJQG-QMMMGPOBSA-N 250.254 0.045 10 10 CCCE Nc1ccc(OC[C@H](O)CSC[C@H](O)CO)cc1 93957564 SXFTXJGCTVTALE-MNOVXSKESA-N 273.354 0.095 10 10 CCCE C[C@H]1CO[C@H](CN(CC(N)=O)Cc2ccc(N)cc2)C1 2166383686 RRIDZKZNQZYRTJ-RISCZKNCSA-N 277.368 0.981 10 10 CCCE O=C(NCC1(O)CC(C(=O)O)C1)c1ccc(O)c(O)c1 2166499347 GPPFTBCQLZXYRZ-UHFFFAOYSA-N 281.264 0.053 10 10 CCCE CC(=O)C(=O)COC(=O)/C=C\c1ccc(O)c(O)c1 808529698 PXSDTKYUBIWLHC-HYXAFXHYSA-N 264.233 0.812 10 10 CCCE CCN(OC)C(=O)CNC(=O)c1c(F)ccc(O)c1O 844151518 ZYTCGGCSJXNTEN-UHFFFAOYSA-N 286.259 0.377 10 10 CCCE COC[C@H](C)NC(=O)COCc1ccc(N)cc1 49290021 IDWZAEOBHDTRBI-JTQLQIEISA-N 252.314 0.937 10 10 CCCE CSc1ncc(CNC(=O)[C@@H](N)[C@@H](C)O)s1 2243773542 OWRNGTCDXVDQAT-VDTYLAMSSA-N 261.372 0.189 10 10 CCCE O=C(c1cc(O)cs1)N1CCC[C@@](O)(CO)C1 854907874 NDGRFKMAFAUDNU-NSHDSACASA-N 257.311 0.413 10 10 CCCE Cc1ccc(O)c(CNC(=O)C[C@@H](N)C(=O)O)c1 83391461 ZPECZVVSSMDVOI-SECBINFHSA-N 252.270 0.119 10 10 CCCE Oc1ccc2c(c1O)[C@@H]([C@H]1C[C@@H](O)CN1)NCC2 83724727 DBCSNFMEZJWPNN-KBVBSXBZSA-N 250.298 0.007 10 10 CCCE COC(=O)[C@]1(O)CCN(Cc2cc(OC)ccc2O)C1 895702967 IFSHTRVPPIACRG-AWEZNQCLSA-N 281.308 0.511 10 10 CCCE COC[C@@](C)(O)CNC(=O)c1ccc(N=NC(N)=O)cc1 1136988532 ZZSLKPBLDDEYGE-ZDUSSCGKSA-N 294.311 0.976 10 10 CCCE NC(=O)CC1CC(NCc2ccc(O)cc2O)C1 718474802 FYPOPNYZNRDHHT-UHFFFAOYSA-N 250.298 0.841 10 10 CCCE COC[C@](C)(O)CNC(=O)Cc1ccc(O)c(O)c1 1147959457 CFZUZSQGASTQPV-CYBMUJFWSA-N 269.297 0.154 10 10 CCCE Nc1ccc(CC(=O)Nc2[nH]nnc2C(=O)O)cc1 2117509259 SPFIMPUWVGQRJM-UHFFFAOYSA-N 261.241 0.266 10 10 CCCE C[C@@H]1C[S@@](=O)CCN1C(=O)COc1ccc(N)cc1 2115320905 GQTKJYWKKGZMQE-DGIBIBHMSA-N 282.365 0.627 10 10 CCCE CN(C)CCN(CCO)c1ccc2c(c1)CC[C@@H]2N 2128319966 ZVHZIMQHMVWICA-HNNXBMFYSA-N 263.385 0.993 10 10 CCCE Oc1ccc(F)cc1CN[C@@]12CC[C@@H](C1)[C@@H](O)[C@H]2O 2120393113 AGMWFSCJSJWCNT-IYMWITQMSA-N 267.300 0.895 10 10 CCCE C[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)C[C@@H]1CN 2132414246 VJNZFQYIILFNJO-APPZFPTMSA-N 266.297 0.470 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1Cc2conc2C1 2132411935 YZUAYSPCJVMNRR-UHFFFAOYSA-N 262.221 0.947 10 10 CCCE Cc1cc(CN)ccc1N1[C@H]2CC[C@H]1[C@@H](O)[C@H](O)C2 2133918938 HOEAKTCQWCKCSN-SPWCGHHHSA-N 262.353 0.917 10 10 CCCE C[C@@H](C(=O)Nc1ccc(N)cc1)N(C)C(C)(C)C(N)=O 1915543361 SXYXPEKGJIEGRH-VIFPVBQESA-N 278.356 0.792 10 10 CCCE [N-]=[N+]=NCCCN[C@]1(C(N)=O)C[C@@H]2OCCC[C@@H]21 1912192044 ABLWIQKIJCGAFM-ATZCPNFKSA-N 253.306 0.699 10 10 CCCE CC(=O)C(=O)[C@](C)(O)c1ccc(S(C)(=O)=O)cc1 1919045077 OKOXLMFVCYFNGW-GFCCVEGCSA-N 270.306 0.456 10 10 CCCE Cn1c(=O)c2c(c3cc4c(cc31)OCO4)CCNC2 215274896 XMBFMGLHJLMAIY-UHFFFAOYSA-N 258.277 0.913 10 10 CCCE CC(=O)NCC(C)(C)C(=O)NCc1cc(O)ccc1O 1558175268 KHGZAFJQLSDVDT-UHFFFAOYSA-N 280.324 0.876 10 10 CCCE C[C@H]1CS(=O)(=O)CCN1C(=O)COc1ccc(N)cc1 228712143 MYVBBOMIQSIOGQ-JTQLQIEISA-N 298.364 0.293 10 10 CCCE COCC[C@@]1(C(=O)C(=O)C[C@H]2C[C@H](N)C2)CCNC1 2137515303 DSFKKVWPTISVDB-MJVIPROJSA-N 268.357 0.268 10 10 CCCE C[C@H](C(=O)NCc1cc(O)ccc1O)n1cncn1 1633599337 XWIPAXSQRRXHEA-MRVPVSSYSA-N 262.269 0.567 10 10 CCCE O=C(c1cnn2c(=O)cc[nH]c12)N1Cc2cccc(O)c2C1 1632709318 SKYYODGOANIOKK-UHFFFAOYSA-N 296.286 0.884 10 10 CCCE Cc1cccc(CNC(=O)c2cnn(C)c2N)c1O 2139751007 OPKMYNLOSJWLAG-UHFFFAOYSA-N 260.297 0.946 10 10 CCCE COc1ccc(N2CCN(C[C@@H]3CN=C(N)O3)CC2)cc1 5319338 MBLSJHGGVBNRPT-AWEZNQCLSA-N 290.367 0.531 10 10 CCCE NCCCC[C@H](NC(=O)Cc1ccc(N)cc1)C(=O)O 1865955217 DJVFDECYZUYIDW-LBPRGKRZSA-N 279.340 0.510 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@H](CO)CC(F)F 1154143792 IZGVIONVPQYTNU-QMMMGPOBSA-N 275.251 0.773 10 10 CCCE COC(=O)[C@H](N)CC(=O)N[C@H](C)c1ccccc1O 1877588139 QMZYEIBILMAZGD-PSASIEDQSA-N 266.297 0.460 10 10 CCCE CS(=O)(=O)N1CC(NCc2cc(F)ccc2O)C1 1963496088 ZXEGPTDOBBNSKC-UHFFFAOYSA-N 274.317 0.265 10 10 CCCE COC(=O)[C@@H]1C[C@@H]1[C@H](N)Cc1ccc(O)c(O)c1 1951700954 GNWSIYVZYLUUJD-IVZWLZJFSA-N 251.282 0.777 10 10 CCCE CCN1CCN(C(=O)Cc2ccc(N)cc2)CC1=O 1970351678 KZXXEQWSTIGTLL-UHFFFAOYSA-N 261.325 0.502 10 10 CCCE Nc1ccc(NC(=O)N2C[C@@H](CCO)[C@@H](CO)C2)cc1 2149913323 JAHKMWCNQNZRGA-GHMZBOCLSA-N 279.340 0.723 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)[C@@]12C[C@H]1CCCN2 2148020727 ORPUSSPSIXZWDG-IAQYHMDHSA-N 276.336 0.899 10 10 CCCE NC[C@@H]1CC[C@@H](C(=O)NCCc2ccc(O)c(O)c2)O1 2148003693 KDHXGVXJZZSGTI-GWCFXTLKSA-N 280.324 0.263 10 10 CCCE [N-]=[N+]=NCCNC1(C(N)=O)C[C@H]2CSC[C@@H]2C1 1998115326 MGHKLIGGSIXULT-YUMQZZPRSA-N 255.347 0.883 10 10 CCCE CN1C(=O)[C@@H](O)c2ccc(N3CC(N4CCC4)C3)cc21 2152247592 ABFBKNPQSFJQGU-AWEZNQCLSA-N 273.336 0.591 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CCC[C@@H](CCO)C1 51892498 WFIBHQNAAWNZLU-VIFPVBQESA-N 266.297 0.727 10 10 CCCE CNCc1ccc(N2C[C@@H](CO)C[C@@H]2CO)cc1 2029383029 HLTZKWSWHLNABC-GXTWGEPZSA-N 250.342 0.586 10 10 CCCE O=C(N[C@H](CO)CC1CC1)c1ccc(O)c(O)c1 2029966837 MSLYWOSOBHDEHP-JTQLQIEISA-N 251.282 0.989 10 10 CCCE O=C(O)[C@@H]1CO[C@H]2CN(Cc3ccc(O)cc3O)C[C@@H]12 2160859370 QQMADPQUQDTBTP-LOWVWBTDSA-N 279.292 0.629 10 10 CCCE Nc1ccc(OCCNS(=O)(=O)N2CCC2)cc1 2031974613 OGIKVJQPZRRQIT-UHFFFAOYSA-N 271.342 0.188 10 10 CCCE C[C@@H]1CCN[C@H]1CNC(=O)c1cccc(O)c1O 2033148245 WRFSQIPKJRVNRR-SCZZXKLOSA-N 250.298 0.826 10 10 CCCE COC[C@H](N[C@@H](C)c1ccc(C)cc1O)C(N)=O 2034941756 STTCHLACIOQHFC-ONGXEEELSA-N 252.314 0.852 10 10 CCCE CNC(=O)NC(=O)[C@@H](C)NCc1ccc2c(c1)CCO2 2160561791 SZFMNDMKMLCMRJ-SECBINFHSA-N 277.324 0.555 10 10 CCCE C[C@@H]1C[S@@](=O)CCN1c1cc2c(cc1F)[C@@H](O)C(=O)N2 2171965900 SSJANISJNYBJJO-CQDIJFMHSA-N 298.339 0.768 10 10 CCCE CCOc1ccc(N2CCNC[C@H]2C(=O)N(C)C)cc1 2162656582 UAZHSNQUPXSGHK-AWEZNQCLSA-N 277.368 0.952 10 10 CCCE CCN1CCc2cc([C@H](N)C3(O)CS(=O)(=O)C3)ccc21 2163124340 VNVBHERWTMDRTF-ZDUSSCGKSA-N 296.392 0.228 10 10 CCCE COc1ccc(N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c(F)c1 2173418211 KZJLEVLLATXWTP-CABZTGNLSA-N 279.315 0.583 10 10 CCCE Nc1cc(O)ccc1NS(=O)(=O)c1cccnn1 712760916 LORARFVESCTHQW-UHFFFAOYSA-N 266.282 0.565 10 10 CCCE C[C@@H](NCC1(CO)COC1)c1cc(O)ccc1O 717573245 FAMNEUUGMSYFKK-SECBINFHSA-N 253.298 0.757 10 10 CCCE COCCNC(=O)CN[C@@H]1CCc2cccc(O)c21 389173368 JAWBKWTVOPWGGI-LLVKDONJSA-N 264.325 0.732 10 10 CCCE Cn1nncc1CNCc1ccc(O)c(O)c1O 394887592 SYVUHJBRYLTAJM-UHFFFAOYSA-N 250.258 0.222 10 10 CCCE Cc1cc(O)n2ncc(C(=O)NCC3=CCCOC3)c2n1 2063057178 DBAMNJQIOHXCKV-UHFFFAOYSA-N 288.307 0.820 10 10 CCCE CO[C@@H]1COC[C@H]1N(C)c1ccc2c(c1)NC(=O)[C@H]2N 2177272920 YMZQOFFKYFMEBF-UPJWGTAASA-N 277.324 0.489 10 10 CCCE O=C(NC[C@@H]1C[C@]12CCOC2)c1cc(O)c(O)c(O)c1 2188913287 QPBVXTQXDREUFU-XPTSAGLGSA-N 279.292 0.960 10 10 CCCE CCN(CCOCCN)C(=O)c1cc(O)c(O)c(O)c1 2188921680 CPHFLFBKLPIYCY-UHFFFAOYSA-N 284.312 0.241 10 10 CCCE N[C@H]1C[C@H]2C[C@H]1CN(C(=O)c1cc(O)c(O)c(O)c1)C2 2188910739 XCOPKSKHVPMIST-JEZHCXPESA-N 278.308 0.613 10 10 CCCE Nc1ccc(OCCC(=O)N[C@@]23CCNC[C@H]2C3)cc1 2197699943 RFMGNGXUNIVWIU-IAQYHMDHSA-N 275.352 0.906 10 10 CCCE Nc1ccc(-n2ccc(C(=O)NC[C@@H]3CCO3)n2)cc1 2189486413 NRTDNAYLKBWPPY-LBPRGKRZSA-N 272.308 0.973 10 10 CCCE O=C(NC1CC([C@@H](F)CO)C1)c1cc(O)c(O)c(O)c1 2199052083 KXHOENSXCAXCGQ-DMBGQZSHSA-N 285.271 0.642 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CCO[C@@H]2C[C@@H](O)C[C@@H]21 2185338255 UHZBINPLSNNIQL-OUJBWJOFSA-N 279.292 0.462 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC=C[C@@H](O)C2)cc1 2046464123 GWMNGVWUQVTTCT-GFCCVEGCSA-N 268.338 0.331 10 10 CCCE Nc1ccc(NC(=O)N(C2CNC2)[C@H]2CCOC2)cc1 2191525073 GXCALJAXHMMVQR-LBPRGKRZSA-N 276.340 0.863 10 10 CCCE Nc1ccc(NC(=O)CCN2C[C@H](O)CO2)cc1 2052299808 NCLOUBGJBWZZAM-NSHDSACASA-N 251.286 0.206 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@H]2CN[C@H]3CCC[C@H]32)cc1 2191697448 CDKJAGIOLWDPCF-HZSPNIEDSA-N 295.408 0.829 10 10 CCCE Nc1cccc(C(=O)O)c1N[C@H]1CCNCC[C@@H]1CO 2191698090 LYUTYLBOHVCONV-SKDRFNHKSA-N 279.340 0.739 10 10 CCCE CN1C(=O)CO[C@@H]2CCN(CCCN=[N+]=[N-])C[C@@H]21 2065760776 SADYOHSXAHBUIC-VHSXEESVSA-N 253.306 0.618 10 10 CCCE COC(=O)CC(=O)CN(C)Cc1ccccc1O 2072453723 UKXURNFPZZJURF-UHFFFAOYSA-N 251.282 0.956 10 10 CCCE C[C@@H]1NCC[C@@H](C)[C@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 2080211981 MITDFVDYJPKROZ-UYNYGYNWSA-N 252.358 0.886 10 10 CCCE OCc1cc(F)c(N2C[C@H]3C[C@H]2[C@H](O)[C@H]3O)c(F)c1 2104412267 UATFJHBKQGOGIY-PXMUGDLCSA-N 271.263 0.387 10 10 CCCE COc1ccc(N2CCN[C@H]3CS(=O)(=O)C[C@@H]32)cc1 2106387482 BQWHOIPCHXCWEB-STQMWFEESA-N 282.365 0.270 10 10 CCCE COC(=O)C1CN(S(=O)(=O)Nc2ccc(O)cc2)C1 2108031953 DIZBQRWUUDYLSG-UHFFFAOYSA-N 286.309 0.154 10 10 CCCE CN(C)c1ccc([C@@H](O)[C@]2(C(=O)O)CCNC2)cc1 2108575266 XPUBMVNMVYWXEX-OCCSQVGLSA-N 264.325 0.850 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CCC2(CC1)CNC2 2088830478 REKCOIIBFPXOLF-UHFFFAOYSA-N 262.309 0.923 10 10 CCCE CCn1cc([C@@H](O)[C@@H](NC)c2ccccc2O)nn1 2091863043 KSVDMATVHRVCOC-QWHCGFSZSA-N 262.313 0.998 10 10 CCCE Cc1cc(CO)ccc1N1C[C@@H](CO)[C@H](CCO)C1 2093500944 GTNZECGTASGYJG-KGLIPLIRSA-N 265.353 0.914 10 10 CCCE CN1CCc2cc([C@H](N)CS(=O)(=O)N(C)C)ccc21 2098460185 IZPRUSDILKVMOU-GFCCVEGCSA-N 283.397 0.570 10 10 CCCE CN(C)c1ccc(CN[C@@H]2COC[C@H]2S(C)(=O)=O)cc1 2207468140 YWMOCQYNMVWKAE-ZIAGYGMSSA-N 298.408 0.654 10 10 CCCE O[C@H]1CN(c2ccc3c(c2)OCCCO3)C[C@@H]1O 2219647101 KOMTZVBCYQUIBM-QWRGUYRKSA-N 251.282 0.390 10 10 CCCE COc1ccc(N2CCN(C)[C@H](CO)C2)cc1F 2219604917 JAJIFTXYZNAHKZ-NSHDSACASA-N 254.305 0.947 10 10 CCCE COc1ccc(N2C[C@@H]3CN[C@H](CO)[C@@H]3C2)c(F)c1F 2235564659 IIKPIFGTTCJZAY-IVZWLZJFSA-N 284.306 0.990 10 10 CCCE COc1ccc(N2CC[C@@H](NC(C)=O)C2)c(CN)c1 2227672868 KZDVKKUCDOQODI-GFCCVEGCSA-N 263.341 0.869 10 10 CCCE COc1ccc(N(C)CC(=O)NC2CC2)c(CO)c1 2227708540 JMWLYVUDQJCBSA-UHFFFAOYSA-N 264.325 0.902 10 10 CCCE CSc1ncc(CNC(=O)[C@H](N)CCC(N)=O)s1 2256938759 XUNGQYCWDOKANM-SSDOTTSWSA-N 288.398 0.074 10 10 CCCE CN[C@@H](C)c1ccc(N2C[C@H](O)[C@H](O)C2)cc1C 2257455678 ALHRCFAEHQXXRD-LEWSCRJBSA-N 250.342 0.817 10 10 CCCE CSc1ncc(CNC(=O)[C@@H]2CCC(=O)N2)s1 2248747686 ZQYNJKHMVWITDS-ZETCQYMHSA-N 271.367 0.760 10 10 CCCE OC[C@H](O)[C@@H]1CCN1c1ccc(CNC2CC2)cc1 2270704901 LSBYFTOUOUEYDC-GJZGRUSLSA-N 262.353 0.871 10 10 CCCE C[C@@H](O)c1ccc(N2CC3(CNC(=O)CO3)C2)cc1O 2289658677 FPEBRCCVYUOWGN-SECBINFHSA-N 278.308 0.151 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)[C@@H]2CCCC23CNC3)C1 2317231215 DHBYXNWPQRILDV-DCAQKATOSA-N 250.342 0.642 10 10 CCCE COC(=O)[C@@H]1CC[C@@H]1NC(=O)c1cccc(O)c1O 886311039 BLPOGGOZWAYWLJ-APPZFPTMSA-N 265.265 0.779 10 10 CCCE O=C(NC[C@@H]1C[C@@H]2CC[C@H]1N2)c1ccc(O)c(O)c1 2330510232 OYQMWFIHWNUESI-GARJFASQSA-N 262.309 0.968 10 10 CCCE CN(C(=O)COc1ccc(N)cc1)[C@H]1CNC[C@H]1F 2343634631 UFZVKMOQSXZKRF-NEPJUHHUSA-N 267.304 0.416 10 10 CCCE C[C@@H]1[C@H](O)CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1C 2344376412 AUINNNMSESEJNH-QXFUBDJGSA-N 266.297 0.724 10 10 CCCE Nc1ccc(OCCCN2C[C@@H]3C[C@H]2[C@@H](O)[C@@H]3O)cc1 2354486218 VTCOJWDJEVDHOL-BSLXNSKLSA-N 278.352 0.464 10 10 CCCE Nc1ccc(OCC(=O)N[C@H]2CO[C@@H]3COC[C@@H]32)cc1 2354540524 VTFWBVNVIAJGFS-FRRDWIJNSA-N 278.308 0.178 10 10 CCCE CCn1nnc(CN(C)c2ccc(CO)cc2F)n1 1893002156 BCRMSIIQGCYMIS-UHFFFAOYSA-N 265.292 0.961 10 10 CCCE CC(=O)N1CCN(c2ccc(CN)cc2F)CC1 20469694 RWJMIZKQNYQFJC-UHFFFAOYSA-N 251.305 0.953 10 10 CCCE CN(CCCO)S(=O)(=O)Cc1ccc(N)cc1 305960101 IORZDEZKHQVFSS-UHFFFAOYSA-N 258.343 0.413 10 10 CCCE OCc1cc(F)c(N2CC[C@@H]3C[C@H]2[C@H](O)[C@H]3O)c(F)c1 2357585212 JKABCRSPOCPBJR-DWVUBDKYSA-N 285.290 0.778 10 10 CCCE O=C(O)[C@H](Cc1ccc(O)c(O)c1)N1C(=O)[C@@H]2C[C@H]2C1=O 252456726 RVPJTKXZMCWFEE-HLTSFMKQSA-N 291.259 0.098 10 10 CCCE C[C@@H](N)c1ccc(N2C[C@@H](CO)[C@H](CO)C2)cc1O 704777066 ZKGZWPTUUJGQED-VWYCJHECSA-N 266.341 0.449 10 10 CCCE COCC1(C(=O)O)CN(Cc2cc(OC)ccc2O)C1 2169139829 BYGWUCRAAGXVJT-UHFFFAOYSA-N 281.308 0.934 10 10 CCCE CCOC(=O)CC(C)(C)CC(=O)C(=O)CS(C)(=O)=O 819755072 DHMYWYUIBMSQBZ-UHFFFAOYSA-N 292.353 0.539 10 10 CCCE C[C@@H](NC[C@@]1(CO)COCCN1C)c1c(O)cccc1F 903280735 WHJIOUHZCGNDNT-IAQYHMDHSA-N 298.358 0.875 10 10 CCCE CO[C@@](C)(CO)CNC(=O)/C=C/c1ccc(O)c(O)c1 848264731 FPSNWWRTYIUFBD-YVARQFDVSA-N 281.308 0.625 10 10 CCCE O=C(NCc1c(O)cccc1F)NC[C@H]1COCO1 923837765 NAFMCKFERZUFNA-QMMMGPOBSA-N 270.260 0.703 10 10 CCCE COc1ccc(CN[C@H](C)CS(C)(=O)=O)c(O)c1 78639431 ILHFAVRCFDOPAT-SECBINFHSA-N 273.354 0.924 10 10 CCCE CNCCCNC(=O)[C@@H](N)c1cc(C)ccc1O 83385200 VMRWVCMHOZDADQ-LBPRGKRZSA-N 251.330 0.426 10 10 CCCE CC(C)CCNC(=O)[C@@H](N)c1ccc(O)c(O)c1O 83497431 FRGYVOCTRSHPJW-JTQLQIEISA-N 268.313 0.966 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N3CCC[C@H]3C(N)=O)ccc21 703050061 FYCJOBSNDLTNFQ-NWDGAFQWSA-N 274.324 0.353 10 10 CCCE CN1CCN(NCc2ccc(F)c(F)c2O)CC1 703289947 FWEKKWSMEACHLT-UHFFFAOYSA-N 257.284 0.922 10 10 CCCE CC(C)[C@H](NC(=O)c1cccc(O)c1O)C(N)=O 189356288 VYPOVMCZEJFVEW-VIFPVBQESA-N 252.270 0.338 10 10 CCCE COC[C@H](C)NS(=O)(=O)CCOc1ccc(N)cc1 70490530 ITZQMCONTZIJLO-JTQLQIEISA-N 288.369 0.602 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@H]3CCO[C@H]3C2)cc1 2115399224 BJWXOJVXNXXVKY-YPMHNXCESA-N 282.365 0.819 10 10 CCCE Nc1ccc(NC(=O)N2[C@H]3CC[C@H]2C(=O)NC3)cc1 2115749244 BCPWMPTUMQVIQY-QWRGUYRKSA-N 260.297 0.764 10 10 CCCE CC(C)(CNC(=O)c1cc(O)c(O)c(O)c1)C(=O)O 2132348192 GFPKGYRDIORWSD-UHFFFAOYSA-N 269.253 0.644 10 10 CCCE CC1(C)C(=O)CCN1C(=O)c1cc(O)c(O)c(O)c1 2132414186 URCDVWNSISIPNQ-UHFFFAOYSA-N 265.265 0.997 10 10 CCCE O=S(=O)(NCc1ccccc1O)N1CCC[C@@H](O)C1 1914140646 CYOKUCPGLZDDBW-LLVKDONJSA-N 286.353 0.183 10 10 CCCE CO[C@H](C(=O)N1CC[C@H](N=[N+]=[N-])C1)[C@@H]1CCOC1 1912160192 RUWLAZNKFAXSMP-UTLUCORTSA-N 254.290 0.949 10 10 CCCE OC[C@H]1C[C@H](O)CCN1c1ccc2c(c1)CC[C@@H]2O 2136082044 OGHUTHKRBVTTTP-NFAWXSAZSA-N 263.337 0.988 10 10 CCCE NC(=O)C1[C@@H]2CN(c3ccc4c(c3)CC[C@H]4O)C[C@@H]12 2136588464 OZQDFRBQKOXXBO-JHJVBQTASA-N 258.321 0.834 10 10 CCCE CN(C)CCOCCNC(=O)c1ccc(O)c(O)c1 227060058 STRKHIKMHRTYEM-UHFFFAOYSA-N 268.313 0.406 10 10 CCCE CN(C)[C@@H]1COC[C@H]1NC(=O)c1cccc(O)c1O 1922089625 RJXRQBHIWVKWPJ-NXEZZACHSA-N 266.297 0.157 10 10 CCCE O=C1CC[C@@H](NC(=O)[C@@H]2CNc3ccccc3N2)CN1 229881345 GHEOVZGILJLRID-SKDRFNHKSA-N 274.324 0.287 10 10 CCCE CSC[C@@H](CCO)NC(=O)Cc1ccc(O)c(O)c1 1631679134 HDSPPOPWLDJUSZ-SNVBAGLBSA-N 285.365 0.871 10 10 CCCE C[C@@H](CN(C)C)NC(=O)Cc1ccc(O)c(O)c1 1640222818 VFXCCHDSCJAMSI-VIFPVBQESA-N 252.314 0.707 10 10 CCCE C[C@]1(NS(=O)(=O)Cc2ccc(N)cc2)CCOC1 161596806 ZSCMKEPIUZWQIS-LBPRGKRZSA-N 270.354 0.867 10 10 CCCE CN(C)CCC(=O)NCCOc1ccc(N)cc1 167919096 YIMMYSMPLPNVII-UHFFFAOYSA-N 251.330 0.716 10 10 CCCE CNCc1ccc(N2C[C@H](O)[C@@H](O)C2)c(C(F)(F)F)c1 234381369 SECVJXUJWFUOIP-RYUDHWBXSA-N 290.285 0.967 10 10 CCCE C[C@H](O)CCN(C)C(=O)Cc1ccc(O)c(O)c1 1294482164 RIWHYHUCSFAJTM-VIFPVBQESA-N 253.298 0.870 10 10 CCCE O=S1(=O)CCC[C@@H](NCc2ccc(O)c(O)c2O)C1 236591038 IPCGHDLPOQXSBR-SECBINFHSA-N 287.337 0.470 10 10 CCCE NCC1(CCNS(=O)(=O)Cc2ccc(N)cc2)CC1 1876414377 UFSDHFQOFORFOD-UHFFFAOYSA-N 283.397 0.817 10 10 CCCE C[C@@H]1C[C@H](Nc2c(N)cccc2C(N)=O)CCS1(=O)=O 2143953556 KFLIPPOGDYIBGG-RKDXNWHRSA-N 297.380 0.745 10 10 CCCE COc1cccc(O)c1CNCC(C)(CO)CO 1964569199 DYPRLBUTQGRSGT-UHFFFAOYSA-N 255.314 0.481 10 10 CCCE Nc1ccc(CC(=O)N2CC(=O)N3CCC[C@@H]3C2)cc1 1966936701 POHCRVYCHYDCGQ-CYBMUJFWSA-N 273.336 0.645 10 10 CCCE O=C1C[C@H]2CCN(C(=O)c3ccc(O)c(O)c3)C[C@H]2N1 2145061362 ZTMYQHYVVNVKCA-PSASIEDQSA-N 276.292 0.448 10 10 CCCE O=[N+]([O-])c1cc(CO)ccc1N1C[C@@H](O)C(F)(F)C1 1972404877 IQURXWOOPXUPHZ-SNVBAGLBSA-N 274.223 0.903 10 10 CCCE CN(C(=O)CN1CC[C@H](CO)C1)c1ccc(N)cc1 161602362 MUBJXBZXCNYXLF-NSHDSACASA-N 263.341 0.546 10 10 CCCE CS(=O)(=O)CC[C@H]1NC(=O)N(c2ccc(N)cc2)C1=O 37515017 SQPRPESRJQBDRZ-SNVBAGLBSA-N 297.336 0.128 10 10 CCCE COCCn1ccnc1[C@@H](O)[C@@H](N)c1ccccc1O 2148163391 SACXNPWBVFXEKE-STQMWFEESA-N 277.324 0.969 10 10 CCCE CN(C)c1ccc(CN=[S@](N)(=O)N2CCOCC2)cc1 2154246124 ZROQQCSYWQDDDF-FQEVSTJZSA-N 298.412 0.842 10 10 CCCE Nc1ccc(NC(=O)CN2CCOC[C@H](CO)C2)cc1 2154457504 SVWPULBTTDMEBK-NSHDSACASA-N 279.340 0.148 10 10 CCCE O=S(=O)(Nc1ccc(O)cc1)N1CCCNCC1 2029135905 NFYPPNHDTAEQND-UHFFFAOYSA-N 271.342 0.344 10 10 CCCE C[C@@H]1CCN(CC(=O)N(C)c2ccc(N)cc2)C[C@H]1O 299953848 MHGFUEBWIBOCPU-BXUZGUMPSA-N 277.368 0.934 10 10 CCCE CO[C@H]1CN(C)C[C@@H]1NCc1ccc(O)c(O)c1 2034333913 KANZNAQCCBDUPU-GWCFXTLKSA-N 252.314 0.516 10 10 CCCE Nc1ccc(CN2CC[C@@](CO)(CCO)C2)cc1 2035808044 HQEJUCCVVCGBCS-CQSZACIVSA-N 250.342 0.836 10 10 CCCE Cn1ccc([C@@]2(CN)CCC(C)(C)[C@@H]2O)cc1=O 315412904 VWOTVSZBVLJDJY-JSGCOSHPSA-N 250.342 0.763 10 10 CCCE COC[C@H]1CN(CC(=O)c2ccc(O)c(O)c2)CCO1 705881381 ZOTCXDMCQIPUEF-LLVKDONJSA-N 281.308 0.628 10 10 CCCE CCCN1CC(NCc2ccc(O)c(O)c2O)C1 379097245 LWVQJIWOSAIVAQ-UHFFFAOYSA-N 252.314 0.987 10 10 CCCE CCN[C@@H](c1ccc(N(C)C)cc1)C1(O)CS(=O)(=O)C1 2163139396 XMDVWRAGMGZTQK-ZDUSSCGKSA-N 298.408 0.563 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CCN3CC[C@H]2C3)cc1 381751286 DTXBLUDBQVUQKJ-ZDUSSCGKSA-N 281.381 0.489 10 10 CCCE O=C(NC[C@@H]1CCO[C@H]1C(=O)O)c1cccc(O)c1O 715127040 AXYWHRUJYOAZER-WRWORJQWSA-N 281.264 0.317 10 10 CCCE C[C@H]1[C@@H](CO)CCN1CC(=O)c1ccc(O)c(O)c1 385941657 WEXOKWCXLIBNNK-GXSJLCMTSA-N 265.309 0.983 10 10 CCCE C[C@@H]1CC[C@@H](O)CN1C[C@H](O)COc1ccc(N)cc1 399462856 KAQXGKSFPCQPCU-BNOWGMLFSA-N 280.368 0.854 10 10 CCCE C[C@H](c1ccccc1O)N(C)C(=O)NC[C@H](O)C(=O)O 2192568947 ZWNOOHHFMRIQLB-KCJUWKMLSA-N 282.296 0.540 10 10 CCCE C[C@H](NC(=O)[C@@H]1CO[C@@H]2CNC[C@@H]21)c1ccccc1O 2192623760 STTGZRRXXORILH-LEJCRSTHSA-N 276.336 0.804 10 10 CCCE NC(=O)CN(Cc1ccc(N)cc1)CC1[C@H]2COC[C@H]12 2188895689 DUTFJCVDWHUGOR-ZIAGYGMSSA-N 275.352 0.449 10 10 CCCE N[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)CC2(CC2)C1 2188908189 AOIHJRBBZYEZNJ-VIFPVBQESA-N 278.308 0.757 10 10 CCCE O=C(N[C@@H]1CC[C@H]2CNC[C@H]21)c1cc(O)c(O)c(O)c1 2188922279 GPYDMXMKCMSCND-FXBDTBDDSA-N 278.308 0.531 10 10 CCCE C[C@@H](O)c1ccc(N2C[C@@H]3C[C@H](C2)[C@H](O)[C@@H]3O)cc1O 2182561378 ROXVETQMWJLVMR-PZSFLXJQSA-N 279.336 0.623 10 10 CCCE N[C@@H]1CCc2cc(N3CCS(=O)(=O)CC3)ccc21 117350331 MEWRXVYRACQHBE-CYBMUJFWSA-N 266.366 0.867 10 10 CCCE COC(=O)[C@@H](NCCCO)c1c(O)cccc1F 2042598704 CMFTXXKHBVVKMF-NSHDSACASA-N 257.261 0.717 10 10 CCCE C[C@H](O)c1cc(F)c(N2CC(OCC(N)=O)C2)c(F)c1 2194510920 IXRASLCHYGMZGP-ZETCQYMHSA-N 286.278 0.709 10 10 CCCE CN1[C@@H](CN2CCC[C@@H]2CN=[N+]=[N-])CCS1(=O)=O 2059059731 SGBBQUPORWEJRK-NXEZZACHSA-N 273.362 0.795 10 10 CCCE C[C@@H]1CNC[C@@H](C)C1NS(=O)(=O)Cc1ccc(N)cc1 2191642948 ZJWQVXAUICAKEK-GHMZBOCLSA-N 297.424 0.932 10 10 CCCE COC(=O)C1CN(c2cc3c(cc2N)OCC(=O)N3)C1 2191896467 BIEJHKSDAJBLIY-UHFFFAOYSA-N 277.280 0.209 10 10 CCCE O=C(NC[C@@H]1CCNC1)c1cc(O)c(O)c(O)c1 2068616158 XNHKGYLCWMYSQG-SSDOTTSWSA-N 252.270 0.143 10 10 CCCE COc1ccc(CNC2([C@H](O)CO)CC2)c(O)c1 2069746326 XXGFCIYJLBRONG-GFCCVEGCSA-N 253.298 0.376 10 10 CCCE CNCc1ccc(N2C[C@@H](O)[C@H](F)C2)cc1OC 2084017721 VDNNHJFBKHHXDM-VXGBXAGGSA-N 254.305 0.934 10 10 CCCE CC1(C)[C@@H](N)[C@H]1C(=O)NCCc1ccc(O)c(O)c1 2104695968 HUGHYRNFCAMFAW-RYUDHWBXSA-N 264.325 0.740 10 10 CCCE Cc1cc(NS(=O)(=O)N2CCNC[C@H]2C)ccc1O 2105933589 XZSBQGXCRNRWAI-SNVBAGLBSA-N 285.369 0.651 10 10 CCCE NC1(CO)CCN(C(=O)c2cccc(O)c2O)CC1 2087254282 PFECLLCCCJBGFT-UHFFFAOYSA-N 266.297 0.024 10 10 CCCE Nc1ccc(OCC(=O)N[C@@H](CO)C(F)(F)F)cc1 2090449624 AZDMGNKNUQPFIW-VIFPVBQESA-N 278.230 0.687 10 10 CCCE Nc1ccc(N2C(=O)N[C@@H]([C@H]3CCOC3)C2=O)cc1 2092890319 KMHXKNBMSTVLMJ-KWQFWETISA-N 261.281 0.730 10 10 CCCE O=C(c1cccc(O)c1O)N1C[C@@H]2OCCO[C@H]2C1 2093351188 LECQYUKZBITGJO-QWRGUYRKSA-N 265.265 0.338 10 10 CCCE CC[C@@H](N)Cc1cnc(SC2=NC(=O)CC(=O)N2)s1 2099136364 UJAQHSJOXHMRML-ZCFIWIBFSA-N 298.393 0.918 10 10 CCCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)C2=NNC(=O)CC2)CC1 2099332559 JLKCPKQEXVYULO-MRVPVSSYSA-N 264.289 0.944 10 10 CCCE NC(=O)[C@H]1[C@H]2CN(c3ccc(C=CC(=O)O)cc3)C[C@H]21 2201278623 PWMKFMASUORRDR-DABQJJPHSA-N 272.304 0.952 10 10 CCCE COc1cc(N2CC[C@H]3C[C@H]2[C@@H](O)[C@@H]3O)ccc1CN 2204537492 SOSUDRXUYZAXES-JQWOWJDXSA-N 278.352 0.474 10 10 CCCE CCNCc1ccc(N2CCC2(CO)CO)cc1OC 2204559695 SJRIYVPATYSFSR-UHFFFAOYSA-N 280.368 0.738 10 10 CCCE Cc1cccc(CNC(=O)[C@@H]2C[C@H]3OCC[C@@H]3N2)c1O 2204610545 PGHKOWOYADQZNR-RWMBFGLXSA-N 276.336 0.836 10 10 CCCE Cc1cc(N2CC[C@@](O)(C(N)=O)C2)ccc1[C@@H](C)O 2269675835 YAUBTVRCNOWXLT-YGRLFVJLSA-N 264.325 0.475 10 10 CCCE C[C@@H](O)c1cc(F)c(N2CC[C@H]2[C@@H](O)CO)c(F)c1 2270717296 YBVKNUWYILXKKM-MKCWBWRRSA-N 273.279 0.950 10 10 CCCE OCC1(O)CN(c2ccc(OCC(F)F)cc2)C1 2219563292 QMACVFGVMMQSLE-UHFFFAOYSA-N 259.252 0.874 10 10 CCCE NCc1cc(F)c(N2C[C@@H]3COC[C@@]3(CO)C2)c(F)c1 2234557259 ABUJLQUBFMJSFE-YGRLFVJLSA-N 284.306 0.869 10 10 CCCE COC[C@@H]1[C@@H](O)[C@H](O)CN1c1ccc2c(c1)CCCO2 2235051146 DMRPWOFKUWRXGQ-UMVBOHGHSA-N 279.336 0.568 10 10 CCCE O[C@@H]1COC2(CN(c3ccc4c(c3)CCCC4)C2)[C@@H]1O 2235093692 HGSGWKSCFBNZHL-HUUCEWRRSA-N 275.348 0.876 10 10 CCCE O=C(NCc1n[nH]cc1C(=O)O)c1ccc(O)c(O)c1 2235330219 ILFWAQGPKIGHLT-UHFFFAOYSA-N 277.236 0.449 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)[C@H]1CC[C@@H](C(=O)O)O1 2225792044 JOQIIENRQSCBLB-YIZRAAEISA-N 268.273 0.920 10 10 CCCE CCn1cc(S(=O)(=O)Nc2ccc(O)c(N)c2)nn1 2227846519 ZSYLJYGSMRJUOK-UHFFFAOYSA-N 283.313 0.387 10 10 CCCE CN(C)c1ccc([C@@H](O)C2CN(C3CNC3)C2)cc1 2269086036 PFNURMPCZPFDDI-OAHLLOKOSA-N 261.369 0.690 10 10 CCCE CN1C(=O)NC(=O)C(=Cc2ccc3c(c2)OCO3)C1=O 2294131089 YYINFXRUJFVXOC-UHFFFAOYSA-N 274.232 0.507 10 10 CCCE N[C@H]1C[C@@H]2CN(c3ccc(OCF)cc3)CCN2C1=O 2295933826 WOIWBQZZFFLWLR-YPMHNXCESA-N 279.315 0.741 10 10 CCCE CN(C)[S@@](=N)(=O)N1CCc2cc(O)c(O)cc2C1 2318661901 MUVBZKGFTOCZJZ-GOSISDBHSA-N 271.342 0.894 10 10 CCCE C[C@@H](O)c1ccc(N2C[C@@H](O)[C@@H]3COC[C@@H]32)cc1O 2329195025 RYAUFPSOGICDSB-PKINLEFWSA-N 265.309 0.641 10 10 CCCE CCN(C)C(=O)CN1CCc2cc(O)c(O)cc2C1 2341217105 VAZOWJIHBLNNFX-UHFFFAOYSA-N 264.325 0.934 10 10 CCCE COc1cc(Cl)c(N2CC(O)(C(N)=O)C2)c(OC)c1 2342418075 VXKYWHLNNBFZHU-UHFFFAOYSA-N 286.715 0.394 10 10 CCCE CN(CCS(=O)(=O)N(C)C)Cc1ccc(N)cc1 310732271 CNJGCZWMUGJPDK-UHFFFAOYSA-N 271.386 0.592 10 10 CCCE CCN[C@H](C)c1ccc(N2C[C@H](O)[C@H](O)C2)cc1 233640571 MQJDXEZWFOKCOE-HONMWMINSA-N 250.342 0.899 10 10 CCCE COCCNC(=O)CN(C)Cc1ccccc1O 96477933 NKFDMTFNSIBFGX-UHFFFAOYSA-N 252.314 0.587 10 10 CCCE COC(CNC(=O)N(C(C)=O)c1ccc(N)cc1)OC 243962870 SBCMEWNYUIKQDC-UHFFFAOYSA-N 281.312 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CC[C@@H](O)c1ccc(N2C[C@H](O)[C@@H](O)[C@H](CO)C2)cc1 2289357537 IHXJVSXJQLPCHY-ATGSNQNLSA-N 281.352 0.280 10 10 CCCE COc1cc(N2C[C@@H]3C[C@H]2[C@H](O)[C@@H]3O)ccc1CN 2333188047 SKQVSNNZJRIJTJ-VMXABPDPSA-N 264.325 0.084 10 10 CCCE CCNCc1ccc(N2CC([C@@H](O)CO)C2)cc1C 2336768966 KLTMHHYLULVUMA-HNNXBMFYSA-N 264.369 0.894 10 10 CCCE O=C(N[C@@H]1C[C@@H]2C[C@H]1CN2)c1cc(O)c(O)c(O)c1 2341069075 FYUKQTUGNVFKBZ-XHNCKOQMSA-N 264.281 0.284 10 10 CCCE CN1CCN(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)CC1=O 2343685630 BHLFNHFZKFIUPW-SECBINFHSA-N 266.305 0.513 10 10 CCCE CO[C@H]1COCCN(C(=O)Cc2ccc(N)cc2)C1 2351607665 IYGGZXKPQQIYNT-CYBMUJFWSA-N 264.325 0.685 10 10 CCCE CCNC[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 57381097 OAEBEJIZJMFNQM-OAHLLOKOSA-N 293.411 0.788 10 10 CCCE CNCc1ccc(N2CCNC(=O)[C@H]2C)c(F)c1 104130582 WBQDNHFDWAAGSF-SECBINFHSA-N 251.305 0.870 10 10 CCCE COC(=O)CCCS(=O)(=O)NCCCN=[N+]=[N-] 42535293 YWUGPKFAQYPPJY-UHFFFAOYSA-N 264.307 0.559 10 10 CCCE C[C@@H]1C[C@@H](CN)CN1C(=O)c1cccc(O)c1O 126725048 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O=C(O)[C@H]1CCN(C(=O)c2cccc(O)c2O)C[C@@H]1F 2164554835 FPMBSVHGRSQECF-CBAPKCEASA-N 283.255 0.983 10 10 CCCE Nc1ccc(COn2c(=O)c(=O)oc3cccc(N)c32)cc1 821296873 KWVAJEGCCKASSU-UHFFFAOYSA-N 299.286 0.748 10 10 CCCE O=C(NCc1ccc(O)cc1O)c1cnc2n1CCOC2 910942920 IPMRERVAOMSBQJ-UHFFFAOYSA-N 289.291 0.755 10 10 CCCE CN1CCc2cc(CN3CCO[C@H]4CNC[C@H]43)ccc21 686533589 ONCRDLMMCZZIBM-CVEARBPZSA-N 273.380 0.852 10 10 CCCE CN(Cc1ccccc1O)C(=O)C1=NO[C@H](CN)C1 852817278 UQLXAWFTPBIVCE-JTQLQIEISA-N 263.297 0.454 10 10 CCCE N[C@H](c1nnc(C2CNC2)o1)c1ccc(O)cc1O 83452499 IJLOTACPVFIOTN-JTQLQIEISA-N 262.269 0.216 10 10 CCCE COc1cc(N)c(N2C[C@H](CO)[C@@H](CO)C2)cc1OC 704700649 ZKFWLUOBDXDIIV-NXEZZACHSA-N 282.340 0.323 10 10 CCCE NS(=O)(=O)NCc1cc(Br)ccc1O 796191647 YZMHCWJQWZUELO-UHFFFAOYSA-N 281.131 0.448 10 10 CCCE CCc1nc(NC(=O)Cc2ccc(O)c(O)c2)n[nH]1 1151842916 FOKZAWFWZRDYNQ-UHFFFAOYSA-N 262.269 0.960 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NCC1(CO)CCOCC1 1151737672 CLDUALIUKDTSCT-UHFFFAOYSA-N 295.335 0.546 10 10 CCCE CS(=O)(=O)CCc1noc(-c2ccc(O)c(O)c2)n1 2120681328 AFEYCKQBDFTBKH-UHFFFAOYSA-N 284.293 0.735 10 10 CCCE C[S@](=O)CC[C@@H]1NC(=O)N(c2ccc(N)cc2)C1=O 2120818952 FTQKGTIZFTVJPU-OVWNDWIMSA-N 281.337 0.462 10 10 CCCE COC(=O)[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1 1631310891 KKRIOOKCENDGCP-SNVBAGLBSA-N 279.292 0.662 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@H]2[C@@H](O)C[C@H]2C1 2132348531 NSLLFSHRPJEHTQ-YIZRAAEISA-N 265.265 0.256 10 10 CCCE O=C(N[C@@H]1C[C@@H]2COC[C@@H]21)c1cc(O)c(O)c(O)c1 2132399804 IFSYNOIUUAWZKP-HRDYMLBCSA-N 265.265 0.568 10 10 CCCE [N-]=[N+]=NC1CN(S(=O)(=O)c2ncccc2F)C1 1912164959 ZMBSBENJHNXEEB-UHFFFAOYSA-N 257.250 0.904 10 10 CCCE C[C@@H](C(=O)N1CCC[C@H](CN=[N+]=[N-])C1)S(C)(=O)=O 1912184668 GKKRHYMBLGAJCA-DTWKUNHWSA-N 274.346 0.968 10 10 CCCE CC(C)NC(=O)NC(=O)CN1CCC[C@H](N=[N+]=[N-])C1 1912183355 OCDFTWLGORAKGL-VIFPVBQESA-N 268.321 0.995 10 10 CCCE Cn1cc(S(=O)(=O)N2CCC[C@H]2CN=[N+]=[N-])nn1 1912207239 NEILMJKIJZEYQN-ZETCQYMHSA-N 271.306 0.279 10 10 CCCE Nc1ccc(N2C[C@H]3C[C@@H](C2=O)S3(=O)=O)cc1 217708752 RYWVDAFYKWWFTG-ZJUUUORDSA-N 252.295 0.171 10 10 CCCE COc1cc(N)c(N(C)[C@@H]2CCNC2=O)cc1OC 1916780420 OBFSMPMOZQZSLS-SECBINFHSA-N 265.313 0.611 10 10 CCCE COCC[S@@](C)(=O)=NC(=O)c1cccc(O)c1O 1918024105 PWUPLNVRMDKAFA-GOSISDBHSA-N 273.310 0.982 10 10 CCCE CN(C[C@H]1COCCN1)c1ccc2c(c1)OCO2 214561416 VASDZFUDYHXNGO-JTQLQIEISA-N 250.298 0.840 10 10 CCCE C[C@H](NC(=O)CCc1ccc(N)cc1)C(=O)NC1CC1 228886847 OIKPCYZQSFKWNW-JTQLQIEISA-N 275.352 0.985 10 10 CCCE C[C@@H]1CN(c2ccc([C@@H](C)N)c(O)c2)C[C@H](CO)O1 229970119 UCASWGZRPYHHSZ-CKYFFXLPSA-N 266.341 0.998 10 10 CCCE [N-]=[N+]=NC1CN(C(=O)[C@]23CCC[C@H]2CS(=O)(=O)C3)C1 2137223195 UFHSBWBLLLFMFA-KWQFWETISA-N 284.341 0.722 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NCCNc1ncccn1 1639681086 WWZKVXGMLCSKFB-UHFFFAOYSA-N 288.307 0.659 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1C[C@H]2C[C@H]1[C@@H]2CO 2138229858 QJUVVVWPJAGIOH-MXWKQRLJSA-N 263.293 0.480 10 10 CCCE COCCNCc1ccc(N2CC(O)C2)cc1OC 2139688932 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1877577390 AOSYYVFOPMCRRB-SSDOTTSWSA-N 282.325 0.567 10 10 CCCE CN1C[C@@H](c2ccc([N+](=O)[O-])cc2O)NCC1=O 1951853108 GVCFDAONHAJBAM-VIFPVBQESA-N 251.242 0.403 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)CNCC(F)(F)F)C1 2003173214 VNOZVMUIXQAXLF-LJGSYFOKSA-N 252.236 0.404 10 10 CCCE Nc1ccc(OCC(=O)N2CCn3nccc3C2)cc1 2144737740 YXBPWBBJSAQNLD-UHFFFAOYSA-N 272.308 0.887 10 10 CCCE CO[C@@H]1CN(C[C@@H](O)COc2ccc(N)cc2)C[C@H]1F 2146484830 QRAUXKKLMPDYHA-MRVWCRGKSA-N 284.331 0.677 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC[C@H]2NCCC[C@H]2C1 2153081503 PPJBIHZQKBQAMG-GXSJLCMTSA-N 277.324 0.707 10 10 CCCE NCc1ccc(N2CC[C@@H](O)[C@H](O)C2)c(Cl)c1 2014961980 RDLQPGIRVFGUCJ-VXGBXAGGSA-N 256.733 0.731 10 10 CCCE C[C@@H]1NC(=O)CC[C@@H]1NC(=O)c1cccc(O)c1O 282273568 UUPVBGSITHFGAN-CBAPKCEASA-N 264.281 0.495 10 10 CCCE C[C@@H](c1ccc(O)cc1O)N1CCC(N)(C(N)=O)CC1 2154306770 HJTDQXRPYDFBCD-VIFPVBQESA-N 279.340 0.437 10 10 CCCE C[C@H](N[C@H](CO)CCCO)c1c(O)cccc1O 2029922077 KERARSMZSOPCMN-UWVGGRQHSA-N 255.314 0.882 10 10 CCCE Nc1ccc(N2CCN(C[C@H](O)CF)C2=O)cc1 2032669661 SFFXQPXOJULTLK-LLVKDONJSA-N 253.277 0.841 10 10 CCCE COc1ccc(CN[C@H](C)CS(N)(=O)=O)cc1C 2035455034 SZSNKHHHAYPRNV-SNVBAGLBSA-N 272.370 0.770 10 10 CCCE CCNC(=O)NCCNCc1cc(F)ccc1O 310902477 BHJBJPVMTDIULH-UHFFFAOYSA-N 255.293 0.940 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N(CC1CC1)C1CNC1 2160199517 GHEIXABCBKYKSZ-UHFFFAOYSA-N 276.336 0.851 10 10 CCCE C[C@H](O)CN1CCN(CCOc2ccc(N)cc2)CC1 2170213558 LGZXAFCXTBGVSQ-ZDUSSCGKSA-N 279.384 0.646 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCCOCCF 702546985 OHIHWDZZDUJAQQ-JTQLQIEISA-N 286.303 0.070 10 10 CCCE COc1cccc(CNC[C@H]2COCCN2C)c1O 703960819 ORMOARYMESOXPN-LBPRGKRZSA-N 266.341 0.821 10 10 CCCE Nc1ccc(OC[C@H](O)CN2CC[C@H]3C[C@@]3(O)C2)cc1 2171005804 TUSDERJEOUHOTR-NJZAAPMLSA-N 278.352 0.465 10 10 CCCE Cc1cc(N(C)CC(C)(CO)CO)ccc1CN 689820531 MSRWDTHCQWEIAW-UHFFFAOYSA-N 252.358 0.881 10 10 CCCE NC[C@H]1CC[C@H](NC(=O)c2ccc(O)c(O)c2)C1 382486561 GTYWVAASOFAYCQ-WPRPVWTQSA-N 250.298 0.955 10 10 CCCE C[C@@H]1C[S@](=O)CCN1c1cc2c(cc1F)[C@H](O)C(=O)N2 2171965902 SSJANISJNYBJJO-NZWKDGHHSA-N 298.339 0.768 10 10 CCCE C[C@H](NC[C@H](C)S(N)(=O)=O)c1cc(O)ccc1O 398271079 AWPXGGBARXRNCJ-YUMQZZPRSA-N 274.342 0.425 10 10 CCCE CNC(=O)[C@H]1CCN(CC(=O)Nc2ccc(N)cc2)C1 398504608 LENUAEBWWRAIAQ-JTQLQIEISA-N 276.340 0.275 10 10 CCCE C[S@](=O)(CC1CC(N)C1)=NC(=O)c1cc(O)nc(O)c1 2172258287 AOOICNYCCMUVTE-MFFSZTTASA-N 299.352 0.468 10 10 CCCE O=C(C[C@@H]1CCNC1=O)Nc1ccc(O)c(O)c1 2064157989 WHWTYNCUJNTOEJ-ZETCQYMHSA-N 250.254 0.563 10 10 CCCE CC(C)[C@H](O)CN(C)C[C@@H](O)COc1ccc(N)cc1 2167592461 MBZRUVPGHHUDSQ-UKRRQHHQSA-N 282.384 0.957 10 10 CCCE CN[C@@H](C)c1ccc(N2CC3(CNC(=O)N3)C2)cc1O 2177690690 ABPOHPQDTDLFDX-VIFPVBQESA-N 276.340 0.544 10 10 CCCE COC[C@H]1CNCCN1C(=O)COc1ccc(N)cc1 2191706711 LESYABWOLCBAOD-GFCCVEGCSA-N 279.340 0.094 10 10 CCCE CN(C)c1nc(=N)nc(N(C)Cc2ccccc2O)[nH]1 2192603999 IDSRNBYOEJSNKZ-UHFFFAOYSA-N 274.328 0.692 10 10 CCCE C[S@](=O)(=NC(=O)c1cc(O)nc(O)c1)[C@H]1C[C@H](CN)C1 2192629970 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COC[C@@]1(NC(=O)c2ccc(O)c(O)c2)CCNC1 2101361370 OUZLNMTZSLSCIT-CYBMUJFWSA-N 266.297 0.206 10 10 CCCE CCN(c1ccc(N)cc1)S(=O)(=O)N1CC(OC)C1 2105629886 XWCRPNPSAUWCLP-UHFFFAOYSA-N 285.369 0.671 10 10 CCCE COc1ccc(N2CCC[C@@](O)(CN)C2)cc1OC 2106349863 FUQBDQQHSULNSA-CQSZACIVSA-N 266.341 0.994 10 10 CCCE O=C(NCc1nccc(O)n1)c1ccc(O)c(O)c1 2106926259 QJKFAQFUUFUTSW-UHFFFAOYSA-N 261.237 0.523 10 10 CCCE Cc1cc(N2C[C@H]3CS(=O)(=O)C[C@@H]3C2)ccc1CN 2087858509 NEKFPUGPBGOGFR-STQMWFEESA-N 280.393 0.935 10 10 CCCE CNCc1ccc(N2C[C@@H](CO)C[C@H]2CO)c(C)c1 2089870681 SCZYRKMAIZGHSW-KBPBESRZSA-N 264.369 0.894 10 10 CCCE NCc1ccc(N2C[C@H](CO)C[C@@H]2CO)c(F)c1F 2089906608 DKIRRWSBNFOBQH-PSASIEDQSA-N 272.295 0.603 10 10 CCCE C[C@H](c1ccccc1O)N1CC[C@H](O)[C@H](O)[C@@H]1C(=O)O 2201091543 OSHKMLVBLWVJCV-NZBQSGDWSA-N 281.308 0.334 10 10 CCCE C[C@@H](NC1CN(CC(=O)O)C1)c1c(O)cccc1O 2113033806 UAKLZVXXWNCPTE-MRVPVSSYSA-N 266.297 0.517 10 10 CCCE COc1cccc(CN2CCC(CN)(CO)CC2)c1O 2202905524 COMIWRCGNIDOOT-UHFFFAOYSA-N 280.368 0.934 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@]23CNC[C@@H]2C3)cc1 2222961330 XRGAALYOYGCNJG-JQWIXIFHSA-N 267.354 0.050 10 10 CCCE [N-]=[N+]=N[C@H]1CCC[C@@H]1NC(=O)Cc1cc(O)nc(O)n1 2234173628 YQTDLXASMAGFAG-YUMQZZPRSA-N 278.272 0.778 10 10 CCCE COC[C@@H]1[C@@H](O)[C@H](O)CN1c1cc(C)c(OC)cc1C 2235112476 HCFORETUDNJVHU-UMVBOHGHSA-N 281.352 0.869 10 10 CCCE COc1ccc(N2CCN3C[C@@H](O)C[C@@H]3C2)c(CO)c1 2235999395 IVVQIBSYLNWRDM-OLZOCXBDSA-N 278.352 0.443 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@H]2CNC[C@H](F)C2)cc1 2226264743 MYASXRMFIFGHMA-ZYHUDNBSSA-N 287.360 0.388 10 10 CCCE COc1ccc(N(C)CCn2cnnc2)c(CO)c1 2227708250 GIADFVXSZWNNPG-UHFFFAOYSA-N 262.313 0.915 10 10 CCCE C[C@@]1(CO)C=CCN1c1ccc2c(c1)NC(=O)[C@H]2N 2228870861 NQACZDYXXWOOQX-JSGCOSHPSA-N 259.309 0.766 10 10 CCCE O=S1(=O)CC(O)(CNCc2c(O)cccc2Cl)C1 2256068944 HGYOKAUXLRPZGX-UHFFFAOYSA-N 291.756 0.295 10 10 CCCE CSc1ncc(CNC[C@@H]2NCC[C@H](O)[C@@H]2O)s1 2257132097 PFWSDVYOGDNKJT-LPEHRKFASA-N 289.426 0.038 10 10 CCCE CSc1ncc(CNCC[C@@H]2CNC[C@H]2O)s1 2248745746 YCFIGNXMFRRTFA-PSASIEDQSA-N 273.427 0.925 10 10 CCCE NCc1ccc(N2CCC[C@@H]3CNC(=O)[C@H]32)cc1F 2264601094 NYOHXJXTAIULTM-MFKMUULPSA-N 263.316 0.999 10 10 CCCE CSc1ncc(CNC(=O)[C@@]23CNC[C@H]2COC3)s1 2269087107 LJTSKCAZYNYLDV-QPUJVOFHSA-N 299.421 0.717 10 10 CCCE Cc1cc(N2CC(OCC(N)=O)C2)ccc1[C@H](C)O 2269676136 HMKUATWRYQOPNG-JTQLQIEISA-N 264.325 0.739 10 10 CCCE O=C(O)[C@@H]1CCOCCN1C(=O)c1cccc(O)c1O 2285322018 DDLFHWJVJRMLFO-VIFPVBQESA-N 281.264 0.414 10 10 CCCE CCNCc1ccc(N2CC3(CNC(=O)CO3)C2)cc1 2289725702 WGNKOFPTVRWJGU-UHFFFAOYSA-N 275.352 0.501 10 10 CCCE O=C(NCCc1cnccn1)c1cc(O)c(O)c(O)c1 1148589627 FFKANKKDHKBHQH-UHFFFAOYSA-N 275.264 0.566 10 10 CCCE CN(C)c1ccc(CN[C@](C)(CN)C(=O)O)cc1 2324719767 FHGTYGLNVHBSPR-CYBMUJFWSA-N 251.330 0.644 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1C[C@H]2C[C@@H](CO)[C@H]2C1 2330494624 YUNJPYPMALNGFV-UTLUCORTSA-N 264.281 0.193 10 10 CCCE O=C1Nc2cc(N3C[C@@H]4C[C@H](O)[C@H]3C4)ccc2[C@H]1O 2330789296 CEIKXALFFUJIJI-GUQKDYTMSA-N 260.293 0.632 10 10 CCCE COc1ccc(N2CC([C@H](O)CO)C2)c(OC)c1C 2336871472 MHTRTKVTTNLBMI-GFCCVEGCSA-N 267.325 0.802 10 10 CCCE CCN(CCN=[N+]=[N-])S(=O)(=O)CC1(C(=O)OC)CC1 2337773998 IKVGDWXRKMWMKC-UHFFFAOYSA-N 290.345 0.902 10 10 CCCE CCN1CCN(Cc2ccc(N)cc2)S1(=O)=O 302569025 AFMFZDYNWKSJGM-UHFFFAOYSA-N 255.343 0.651 10 10 CCCE COC(=O)[C@H](C)S(=O)(=O)Nc1ccc(O)c(F)c1 85200890 JGYQLCOJUPVNRT-LURJTMIESA-N 277.273 0.835 10 10 CCCE CCOC(=O)[C@@H]1CNCCN1[C@H](C)c1cc(O)ccc1O 250674136 OJMNEVCKCBMHCB-MFKMUULPSA-N 294.351 0.996 10 10 CCCE NC(=O)[C@H]1C[C@@H](N)CN(c2ccc(OC3CC3)cc2)C1 2162663583 DIAQWYZOPPQEEB-WDEREUQCSA-N 275.352 0.867 10 10 CCCE CO[C@H]1C[C@H](CO)N(c2ccc3c(c2)NC(=O)[C@H]3N)C1 2167206547 PFLQSTVVBVESJN-NRUUGDAUSA-N 277.324 0.225 10 10 CCCE CO[C@H](C)[C@@H](CC(=O)O)NC(=O)c1ccc(O)c(O)c1 2165779214 UORRAEBWNQISPG-VXNVDRBHSA-N 283.280 0.706 10 10 CCCE COc1ccc(CNC(=O)[C@@H]2CCNC(=O)CC2)c(O)c1 816551179 RRBMZLBPJVOPCA-JTQLQIEISA-N 292.335 0.933 10 10 CCCE CCNC(=O)CN(CC)c1ccc2c(c1)NC(=O)[C@@H]2N 723185314 MAMOIKHGRIPQHC-CYBMUJFWSA-N 276.340 0.601 10 10 CCCE C[C@@H]1CN(CCO)CCN1Cc1ccccc1O 825336998 CIPDKKLGGGJEPA-GFCCVEGCSA-N 250.342 0.891 10 10 CCCE CN(C)c1ccc(/C=C\CN2C[C@H]3C(=O)NC(=O)[C@H]3C2)cc1 835055314 UQQNMONDFWIDSR-JQBDECOXSA-N 299.374 0.970 10 10 CCCE CCOc1cccc(CN(CCN)CCO)c1O 841057647 BTUXRAOKEWHOOX-UHFFFAOYSA-N 254.330 0.544 10 10 CCCE COc1ccc(CNC(=O)NCC23CC(CN2)C3)c(O)c1 851677838 WNFWNHYCVFGCFQ-UHFFFAOYSA-N 291.351 0.952 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC3(COC3)C2)cc1 697088871 JJHGGTJTCROFNI-UHFFFAOYSA-N 268.338 0.431 10 10 CCCE O=C(O)C[C@@H](O)[C@@H]1NCCc2c1ccc(O)c2O 75794146 BQORXBYUWPOXAM-MWLCHTKSSA-N 253.254 0.120 10 10 CCCE CNCCCNC(=O)[C@H](N)c1ccc(C)cc1O 83385205 HECXSQATBKUAMB-GFCCVEGCSA-N 251.330 0.426 10 10 CCCE CCOC(=O)CNC(=O)[C@H](N)c1cc(C)ccc1O 83483776 QVRAFKRPWLLCSA-GFCCVEGCSA-N 266.297 0.380 10 10 CCCE Cc1ccc([C@@H](N)C(=O)NCCCCCO)c(O)c1 83492823 ZLFSBVRQCGUEBM-CYBMUJFWSA-N 266.341 0.979 10 10 CCCE C[C@H]1CN(c2ccc3c(c2)N(C)C(=O)CO3)CCN1 84624577 OUCAUJWDFAWICI-JTQLQIEISA-N 261.325 0.840 10 10 CCCE COc1cccc(CN[C@H]2COCC[C@H]2O)c1O 710893209 YPHSRLLPSACJBU-WDEREUQCSA-N 253.298 0.640 10 10 CCCE CN(Cc1nc[nH]n1)C(=O)CCc1ccc(N)cc1 80510918 PGPFKTZZLQXKQT-UHFFFAOYSA-N 259.313 0.978 10 10 CCCE O=C(NC[C@@H]1CCCC[C@@H]1O)c1cc(O)nc(O)c1 85978406 HGTRCBPGMMMLMY-WPRPVWTQSA-N 266.297 0.774 10 10 CCCE C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1nccc(N)n1 1159441756 LNUDODRVXBFKCV-MRVPVSSYSA-N 288.307 0.890 10 10 CCCE COCc1nn(C)cc1C(=O)NCc1c(O)cccc1O 1178911872 QIEZNNAZVNBGHQ-UHFFFAOYSA-N 291.307 0.908 10 10 CCCE NC(=O)[C@]1(O)CCN(c2ccc3c(c2)CC[C@H]3O)C1 2128317304 DCMHMNPFZXOUOT-OCCSQVGLSA-N 262.309 0.093 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3CC[C@H](O)[C@@H]3C)ccc21 1914300329 CBDBHVSHFJABRJ-HJIKLVIJSA-N 261.325 0.859 10 10 CCCE CN(CCN=[N+]=[N-])S(=O)(=O)N1C[C@H]2CC[C@H]2C1 1912158306 WNQLSSARDSNISE-DTORHVGOSA-N 259.335 0.815 10 10 CCCE CS(=O)(=O)CCCS(=O)(=O)CCCCN=[N+]=[N-] 1912161302 HRNADTZVSCFUBT-UHFFFAOYSA-N 283.375 0.926 10 10 CCCE O=S1(=O)CC(S(=O)(=O)Nc2ccc(O)c(F)c2)C1 1917944014 ASOUACFVKXXMFI-UHFFFAOYSA-N 295.313 0.070 10 10 CCCE CC(=O)C(=O)[C@@](C)(O)c1ccc2c(c1)OCCO2 1919052353 JRYZSYKFZGLUKQ-ZDUSSCGKSA-N 250.250 0.823 10 10 CCCE C[C@]1(O)CN(c2ccc3c(c2)CC[C@@H]3O)CC[C@@H]1O 2136886104 LOEJVJGDIXRWMC-KKUMJFAQSA-N 263.337 0.988 10 10 CCCE Cn1cnnc1[C@@H](CO)NC(=O)c1cc(O)cs1 1585237243 PKCPJZYACUTBMB-SSDOTTSWSA-N 268.298 0.046 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N(CCO)CC(F)F)ccc21 231323173 VCYXUITWEWJHMX-GFCCVEGCSA-N 285.294 0.963 10 10 CCCE CCCNCc1ccc(N2C[C@@H](O)[C@H](O)C2)cc1 233113299 OEACDPKOLYAHOD-ZIAGYGMSSA-N 250.342 0.728 10 10 CCCE Nc1ccc(NC(=O)Cn2nc3ccccn3c2=O)cc1 19394263 TXGFZKLFBMPJGY-UHFFFAOYSA-N 283.291 0.717 10 10 CCCE COc1cc2c(cc1OC)N(C[C@@H](O)CO)C[C@@H](C)N2 251865056 SVISTKXSZFATRT-NXEZZACHSA-N 282.340 0.677 10 10 CCCE CCOc1cccc(CNCC(=O)N(CC)CCO)c1O 1857867092 SZGFALZSIRIIDM-UHFFFAOYSA-N 296.367 0.721 10 10 CCCE O=C(O)[C@H]1CCN[C@H](c2ccc(O)c(O)c2O)C1 1952528465 GHPBGWBOWOSHFG-XPUUQOCRSA-N 253.254 0.929 10 10 CCCE O=[N+]([O-])c1cc(CO)ccc1N1C[C@@H]2C[C@H](C1)C2O 1970430893 YWTDNDLHGIEUGE-HWYHXSKPSA-N 264.281 0.904 10 10 CCCE COc1cccc(CN[C@@H]2C[C@H]3C[C@H]2[C@H](O)[C@H]3O)c1O 1974121782 JMTILFLSCBTPLT-UPYBOPHASA-N 279.336 0.621 10 10 CCCE C[C@H]1CCN(CC(=O)Nc2ccc(N)cc2)[C@@H]1C(N)=O 2146461612 XJPMGCRPXSMBEA-ZANVPECISA-N 276.340 0.403 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)OC[C@@H]1CCCO1 34460965 HMALJYTUZRAAPS-QWRGUYRKSA-N 281.308 0.690 10 10 CCCE NC(=O)CN1CCC(NCc2ccccc2O)CC1 37140417 OUIWQBFBQVGSIO-UHFFFAOYSA-N 263.341 0.432 10 10 CCCE CC[C@@H](COC)OC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 2150930145 MDDSXDGJSNGMDQ-QWRGUYRKSA-N 283.324 0.936 10 10 CCCE CN(C(=O)COc1ccc(N)cc1)[C@@H]1CCS(=O)(=O)C1 38055379 CTCOTKHKSZAYCS-LLVKDONJSA-N 298.364 0.293 10 10 CCCE C[C@]1(O)CCCN(S(=O)(=O)Cc2ccc(N)cc2)C1 162953430 PHPZSORNACZUJI-ZDUSSCGKSA-N 284.381 0.945 10 10 CCCE Nc1ccc(OCC(=O)NCCN2C[C@H]3C[C@H]3C2)cc1 2155812505 BVMJAPNHLMVWKZ-TXEJJXNPSA-N 275.352 0.716 10 10 CCCE Cc1cc(NS(=O)(=O)c2cn(C)nn2)ccc1O 2027813454 WNLYBJGYJIXXGK-UHFFFAOYSA-N 268.298 0.630 10 10 CCCE O=C(O)[C@H]1CN(C(=O)c2cccc(O)c2O)CC[C@@H]1O 2157475749 JTGTVRNEZMAQID-IUCAKERBSA-N 281.264 0.005 10 10 CCCE COc1ccc(O)c(CN2CCOC[C@@H]2CN)c1 2035629101 NAOXNHQFXCFWTH-NSHDSACASA-N 252.314 0.560 10 10 CCCE C[C@H](CNC(=O)[C@H]1CNc2ccccc2N1)[S@](C)=O 300299235 PGIHWEJAMSOBFW-VVSLUIPWSA-N 281.381 0.776 10 10 CCCE CO[C@]1(CO)CCN(C(=O)CCc2ccc(N)cc2)C1 403071399 WMAICKKBDOJUJM-OAHLLOKOSA-N 278.352 0.811 10 10 CCCE CN(C)c1ccc(CNC(=O)CCOCCN)cc1 312033615 YYKZTLFWRNVVAX-UHFFFAOYSA-N 265.357 0.734 10 10 CCCE Nc1ccc(OCCS(=O)(=O)NCc2ncc[nH]2)cc1 80567302 ZBIMMEJGKWFFMG-UHFFFAOYSA-N 296.352 0.490 10 10 CCCE Nc1ccc(CCCN2C[C@H](CC(=O)O)[C@@H](O)C2)cc1 2179711265 VPDCYERVXKWDLI-JSGCOSHPSA-N 278.352 0.969 10 10 CCCE NCc1ccc2c(c1)CCCN2[C@@H]1CC(=O)NC1=O 700967478 BQNIVTUNHWGSPY-GFCCVEGCSA-N 259.309 0.313 10 10 CCCE Nc1ccc(OCC(=O)NC[C@@H]2CCC[C@H]2O)cc1 89150997 DTFYPKNMPCYQCK-GXFFZTMASA-N 264.325 0.925 10 10 CCCE Cc1nccnc1CNS(=O)(=O)Cc1ccc(N)cc1 703893843 HLXUNFBWFQPNJF-UHFFFAOYSA-N 292.364 0.987 10 10 CCCE C[C@H](NCC(=O)N1CCOCC1)c1cc(O)ccc1O 379638493 UACAWYAEWPRXEM-JTQLQIEISA-N 280.324 0.607 10 10 CCCE Nc1ccc(O)c(CNS(=O)(=O)c2cccnn2)c1 712766283 JKNJYLGXJGKYGO-UHFFFAOYSA-N 280.309 0.243 10 10 CCCE CC(C)[C@H](N)CCNC(=O)c1cc(O)nc(O)c1 693014215 PFENUYQIWHOADJ-SECBINFHSA-N 253.302 0.596 10 10 CCCE CCN(CCN1C(=O)CNC1=O)c1ccc(N)cc1 695230805 JBKOJDALMQVHKX-UHFFFAOYSA-N 262.313 0.647 10 10 CCCE Nc1cc2c(cc1N1CCC3(C1)OCCO3)NC(=O)CO2 396525096 HYCSJMTVURIDJX-UHFFFAOYSA-N 291.307 0.553 10 10 CCCE CC[C@@H]1CN(CC(=O)c2ccc(O)c(O)c2)C[C@@H]1O 400004170 XWLFZKYTKYIQLA-RNCFNFMXSA-N 265.309 0.983 10 10 CCCE CO[C@H]1CS(=O)(=O)C[C@@H]1N(C)c1ccc(CN)c(C)c1 829265562 YWZAVOFIIXLOPI-KBPBESRZSA-N 298.408 0.702 10 10 CCCE Oc1ccc(CNC2CN([C@@H]3CCOC3)C2)c(O)c1O 2169350581 FJFVXDMDXOXMSI-LLVKDONJSA-N 280.324 0.366 10 10 CCCE O=C(N[C@@]12CC[C@@H](C1)[C@H](O)[C@H]2O)c1cccc(O)c1O 2176907853 DHVUXPGJWGDINB-BNYHBGRESA-N 279.292 0.102 10 10 CCCE Nc1ccc(NC(=O)NCC2CN(C3COC3)C2)cc1 2171155749 UQXQPMWAKZRULT-UHFFFAOYSA-N 276.340 0.721 10 10 CCCE C[C@H]1CNC(=O)CN1[C@H](C)C(=O)Nc1ccc(N)cc1 2181171669 KRRZZAPDNQCRHR-VHSXEESVSA-N 276.340 0.416 10 10 CCCE CNCc1ccc(N2C[C@@H]3C[C@H](C2)[C@H](O)[C@@H]3O)cc1C 2182547047 HXKXPPGDYQOFNA-UPUJQMMVSA-N 276.380 0.892 10 10 CCCE Nc1ccc(OCC(=O)N2C[C@H]3[C@H](O)C[C@H]3C2)cc1 2095043638 VWRYPHQLTSYUGG-ZWKOPEQDSA-N 262.309 0.487 10 10 CCCE O[C@H]1CCc2cc(N3C[C@@H]4C[C@@H](C3)[C@@H](O)[C@@H]4O)ccc21 2184734389 SBEOQEJPSASHRV-URLAMEQQSA-N 275.348 0.844 10 10 CCCE CN[C@H]1CCc2cc(N3C[C@@H](CO)[C@@H](CO)C3)ccc21 2184723185 JSWOYTVMGJTFMW-ZENOOKHLSA-N 276.380 0.930 10 10 CCCE CNC(=O)OCCCNCc1ccc(O)c(O)c1 2042964546 ZTKZXSVMDWVRJH-UHFFFAOYSA-N 254.286 0.934 10 10 CCCE C[C@H](c1ccc(F)cc1O)N1C[C@@H](N)C[C@H](O)C1 2049119954 JIRFJTPREPTUDI-MIMYLULJSA-N 254.305 0.986 10 10 CCCE 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CN(C)C(=O)[C@@H]1C=CCN1C(=O)c1cccc(O)c1O 2280234819 LSUPGOSEQIXMFZ-JTQLQIEISA-N 276.292 0.567 10 10 CCCE Cc1cc(N2CCN(CCO)C(=O)C2)ccc1[C@H](C)O 2285171176 WZVHHFGULPSYSH-LBPRGKRZSA-N 278.352 0.689 10 10 CCCE COc1cc(C)c(N2C[C@H](O)[C@@H](O)[C@H](CO)C2)c(C)c1 2289509483 WLXAXVXKQAZMAB-WHOFXGATSA-N 281.352 0.462 10 10 CCCE CN(Cc1ccccc1O)C(=O)c1cn[nH]c(=NN)c1 2289725760 WYIURNGYESFWEQ-UHFFFAOYSA-N 273.296 0.162 10 10 CCCE OC[C@H]1CN(c2ccc3c(c2)OCCCO3)C[C@H]1O 1145086660 GLFUYFLJVFSWIM-ZYHUDNBSSA-N 265.309 0.637 10 10 CCCE CC[C@H](C)[C@@H](CO)NC(=O)c1cc(O)c(O)c(O)c1 1148586858 XOENYEGHRXUSTF-IONNQARKSA-N 269.297 0.940 10 10 CCCE [N-]=[N+]=N[C@@H]1CCN(C(=O)[C@H]2COC[C@H]2C(=O)O)C1 2316417422 ARZHBYDGWPXWSX-GJMOJQLCSA-N 254.246 0.245 10 10 CCCE CNCc1ccc(N2C[C@@H](O)[C@@H]3COC[C@@H]32)cc1C 2329193390 MFHOVPVNLHNRTH-QLFBSQMISA-N 262.353 0.910 10 10 CCCE C[C@@]1(N)CN(C(=O)c2cccc(O)c2O)CC1(F)F 2336640382 BEFJNTOMUFPHBX-LLVKDONJSA-N 272.251 0.906 10 10 CCCE Nc1ccc(CCC(=O)N[C@H](CCC(=O)O)C(=O)O)cc1 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Nc1ccc(OCCCN2CC(OCCO)C2)cc1 2095969517 HLGWNEHAJXXOMZ-UHFFFAOYSA-N 266.341 0.731 10 10 CCCE O=[N+]([O-])c1cc(N2CC[C@H](O)C[C@H]2CO)ccc1CO 2200832502 AASSTNSNRLZFBF-RYUDHWBXSA-N 282.296 0.409 10 10 CCCE NCCc1ocnc1CN1CCOc2ncccc21 2114748593 OXEFUJAYSZJMLB-UHFFFAOYSA-N 260.297 0.970 10 10 CCCE CN(Cc1cc(N)ccc1O)[C@H]1COC2(COC2)C1 2270784029 GVUXCHKWBBKJGF-GFCCVEGCSA-N 264.325 0.964 10 10 CCCE [N-]=[N+]=N[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCS(=O)(=O)C1 2218742148 FHTXNWMBGRJQPF-XHNCKOQMSA-N 272.330 0.769 10 10 CCCE Cn1nncc1S(=O)(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-] 2218745874 OCYOZLVHNVGCOT-RQJHMYQMSA-N 271.306 0.325 10 10 CCCE COC[C@@H]1[C@H](O)[C@@H](O)CN1c1ccc2c(c1)CC[C@@H]2N 2234069413 IMKNAAXKEQMPLK-XGUBFFRZSA-N 278.352 0.189 10 10 CCCE O[C@H]1[C@H]2C[C@@H](CN(c3ccc4c(c3)OCCO4)C2)[C@H]1O 2235103581 KTRHLJIKTCCBOA-FCIDVOKBSA-N 277.320 0.636 10 10 CCCE COc1ccc(N2CC[C@@H]3C(=O)NC[C@@H]3C2)c(CO)c1 2236001072 DERQJMRWRYVULM-YPMHNXCESA-N 276.336 0.760 10 10 CCCE Nc1ccc(OCC(=O)N2C[C@@H](O)C[C@H](F)C2)cc1 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ARLZGCMAOWAQKG-UHFFFAOYSA-N 277.192 0.493 10 10 CCCE C[C@@H](O)[C@@H]1C[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2310732912 OKMVKQUJIKDOJV-DTLFHODZSA-N 253.254 0.303 10 10 CCCE COC(=O)[C@]1(NCCN=[N+]=[N-])C[C@H]2[C@@H]1[C@@H]1CC[C@H]2O1 2331792071 HZGUNAKUBRQSQE-GPTQDWHKSA-N 266.301 0.995 10 10 CCCE COC(=O)C1(c2cc(O)c(O)c(OC)c2)CC(N)C1 1952713353 RNUDLAMIYFCUEK-UHFFFAOYSA-N 267.281 0.638 10 10 CCCE NCc1ccc(N2CCNC(=O)C2)cc1Br 228146737 SLQVJXPIUAICDM-UHFFFAOYSA-N 284.157 0.844 10 10 CCCE COc1ccc(O)c([C@@H](C)NCCNC(N)=O)c1 132433984 ZNSRUQGXHGOPMB-MRVPVSSYSA-N 253.302 0.720 10 10 CCCE COc1ccc([C@H](C)NC[C@](C)(O)CO)c(O)c1 90284374 KYUYREVXKFNSEJ-ZANVPECISA-N 255.314 0.795 10 10 CCCE Nc1ccc(NS(=O)(=O)N2CCC[C@H](C(=O)O)C2)cc1 2162470459 YRVGPIOXDVMRAT-VIFPVBQESA-N 299.352 0.722 10 10 CCCE CN[C@](C)(CCN(C)c1ccc(OC)cc1)C(N)=O 49972121 NFXSVTGZWUFXGY-CQSZACIVSA-N 265.357 0.985 10 10 CCCE COC[C@@](C)(CO)N(C)C(=O)c1cccc(O)c1O 689306369 HPXPVENZRKADHZ-CYBMUJFWSA-N 269.297 0.567 10 10 CCCE CN(Cc1ccccc1O)C(=O)c1cnc(CN)nc1 687019742 QJMZSBPSDRLRHB-UHFFFAOYSA-N 272.308 0.913 10 10 CCCE CNC(=O)[C@H]1CNCCN1[C@H](C)c1ccccc1O 89082088 LTTFDEMUWUZYBO-ZYHUDNBSSA-N 263.341 0.473 10 10 CCCE CNC(=O)[C@H]1CNCCN1[C@@H](C)c1cc(C)ccc1O 89082137 JESAWSKCTCCZLO-WCQYABFASA-N 277.368 0.781 10 10 CCCE OC[C@@H]1C[C@@H](CO)CN1c1ccc2c(c1)CC[C@@H]2O 2128321891 LKGFKMDECCSZBT-DGFSRKRXSA-N 263.337 0.846 10 10 CCCE O=C(N[C@@H]1CCN[C@H]2CC[C@@H]21)c1cc(O)nc(O)c1 2121243108 LWCMJYTXNVKNMZ-LPEHRKFASA-N 263.297 0.363 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCN1C[C@@H](O)CN1CCCC1=O 2123018205 KCXXJVLEURMFHR-WDEREUQCSA-N 267.333 0.744 10 10 CCCE C[C@@H](NCC(CO)(CO)CO)c1ccc(F)cc1O 2123219033 ANQRVIKLLWHMNL-SECBINFHSA-N 273.304 0.145 10 10 CCCE Nc1ccc(CCC(=O)N[C@@H]2CCNC(=O)C2)cc1 2129767407 CCIKFVSMUUILME-GFCCVEGCSA-N 261.325 0.596 10 10 CCCE CO[C@@H]1C[C@H](NC(=O)Nc2ccc(N)cc2)C[C@@H]1O 2130821464 JJODKVIHGFSFRL-GRYCIOLGSA-N 265.313 0.929 10 10 CCCE C[C@H]1CCNC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2132410170 KWICKTJWNDLWQC-CBAPKCEASA-N 266.297 0.531 10 10 CCCE COCC(CNC(=O)Cc1ccc(N)cc1)COC 1910265460 ZEQZYGKTAULCMP-UHFFFAOYSA-N 266.341 0.837 10 10 CCCE CCNCc1ccc(N(CCO)C2COC2)cc1 1915548530 LSSOXGPOUDZGHD-UHFFFAOYSA-N 250.342 0.994 10 10 CCCE C[C@@H]1C[C@@](NCCCN=[N+]=[N-])(C(N)=O)CCS1(=O)=O 1912168684 FSTWOYHFMQHWNF-PSASIEDQSA-N 289.361 0.098 10 10 CCCE COc1ccc([C@@H](O)[C@@H](N)c2ccccc2O)nn1 1913547711 DDEIYVIZTYXLEA-QWHCGFSZSA-N 261.281 0.924 10 10 CCCE CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CNC(=O)C1 110358504 DCXJQBCHQHZEGG-GFCCVEGCSA-N 275.352 0.847 10 10 CCCE O=C(O)[C@@H]1C[C@@H](O)CN(Cc2ccc(O)cc2O)C1 2136341148 YXAHVXPOTHHLLK-MWLCHTKSSA-N 267.281 0.365 10 10 CCCE C[C@H](NC(=O)[C@@]1(C)COCCN1)c1ccccc1O 2136483194 WTYXVIUXIHTZGH-IINYFYTJSA-N 264.325 0.948 10 10 CCCE O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccc(O)nn1 1468303954 UJNSUSMTTOTNTG-GORDUTHDSA-N 287.275 0.923 10 10 CCCE NC(=O)CC1(CNC(=O)NCc2ccccc2O)CC1 1478851332 ROFPVVRZYMPZRU-UHFFFAOYSA-N 277.324 0.847 10 10 CCCE CNCc1ccc(N2CC[C@H](O)[C@](C)(O)C2)c(F)c1 2136832037 KQWSXVAAOIQCHT-UONOGXRCSA-N 268.332 0.867 10 10 CCCE COC[C@H](NC(=O)c1ccc(C)c(O)c1O)c1nn[nH]n1 1471845858 PKSYUHWYKRMDRO-QMMMGPOBSA-N 293.283 0.037 10 10 CCCE CN(C)[C@@H]1COC[C@@H]1CNCc1ccc(O)c(O)c1O 1924719341 RFXRZMHBVMBMCW-WDEREUQCSA-N 282.340 0.470 10 10 CCCE CN1C[C@H](NC(=O)Cc2ccc(O)c(O)c2)CCC1=O 1544004851 NKQPCQDIFSIIDV-SNVBAGLBSA-N 278.308 0.377 10 10 CCCE C[C@H](CNC(=O)Cc1ccc(O)c(O)c1)CN(C)C 1625227323 QFZNJVDUYHFXSZ-SNVBAGLBSA-N 266.341 0.954 10 10 CCCE NC(=O)N=Nc1ccc(C(=O)NC[C@@]2(O)CCOC2)cc1 1566467090 OSGCMFYEIGPHOY-ZDUSSCGKSA-N 292.295 0.730 10 10 CCCE CNCc1ccc(N2CC(OCCO)C2)cc1OC 2139682222 DZDXDRKKXOQQPO-UHFFFAOYSA-N 266.341 0.612 10 10 CCCE COc1ccc(CN2CCO[C@@H](CN)C2)c(O)c1 164659487 MGMVBNKTUGGAJY-LBPRGKRZSA-N 252.314 0.560 10 10 CCCE C[S@@](=O)CCNC(=O)COc1ccc(N)cc1 157738526 CJFJEEMBPPDWOR-KRWDZBQOSA-N 256.327 0.142 10 10 CCCE CN1C(=O)COc2cc(NN=NCC(=O)O)ccc21 1860494064 ORJUYRWKWLEERW-UHFFFAOYSA-N 264.241 0.906 10 10 CCCE C[C@H]1[C@H](NCc2ccc(N)cc2)CCS1(=O)=O 1944073607 AFJOTCYCXIDUQW-JOYOIKCWSA-N 254.355 0.934 10 10 CCCE Cc1nn(C)c(C(=O)NCc2ccccc2O)c1N 1876419746 KAGJTNJNZGMOQY-UHFFFAOYSA-N 260.297 0.946 10 10 CCCE Nc1ccc(OCC(=O)N=[S@]2(=O)CC[C@@H](N)C2)cc1 1876448841 IYJQHDLQVZFUMD-DGIBIBHMSA-N 283.353 0.373 10 10 CCCE Nc1ccc(CCNC(=O)Cn2cc(N)cn2)cc1 1876511462 QMCJVQZHMJYHLL-UHFFFAOYSA-N 259.313 0.406 10 10 CCCE C[C@H](NC(=O)C1=C[C@H](O)[C@@H](N)C1)c1ccccc1O 1877590850 XYMSFICFYOQUQU-QWRKXWFKSA-N 262.309 0.588 10 10 CCCE C[C@H](NC(=O)[C@@H]1[C@H]2NCCO[C@@H]21)c1ccccc1O 1877584653 AEFOCBDYEOKSSW-BXGBBSSXSA-N 262.309 0.556 10 10 CCCE CO[C@@H]1CNCC[C@@H]1C(=O)N(C)Cc1ccccc1O 1964327755 FQUCVEPYZCUUFE-GXTWGEPZSA-N 278.352 0.975 10 10 CCCE CN1CCc2cc([C@H]3CS(=O)(=O)NCCN3)ccc21 1952398446 CKNAOFHTYQUHQG-GFCCVEGCSA-N 281.381 0.243 10 10 CCCE N[C@@H]1CCO[C@@H](C(=O)NCc2ccccc2O)C1 1966878247 MSWAZAASIMGDID-ZYHUDNBSSA-N 250.298 0.515 10 10 CCCE O=C(O)[C@H]1CC[C@H]1C(=O)NCCc1ccc(O)c(O)c1 2148000577 PKRBHXJNHLCZGD-ZJUUUORDSA-N 279.292 0.867 10 10 CCCE C[C@@H](N)[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CCO1 1971670229 PJCIMNQGZFDZOV-NOZJJQNGSA-N 280.324 0.215 10 10 CCCE CCOC(=O)[C@@H](O)CN1CCc2cc([C@H](C)N)ccc21 2145822538 WAGCGNKGRAAYHN-HZMBPMFUSA-N 278.352 0.993 10 10 CCCE COC(=O)[C@H](C)CN(C)C(=O)COc1ccc(N)cc1 40331778 VQPBGZYCZLXVCH-SNVBAGLBSA-N 280.324 0.915 10 10 CCCE CN1CCc2cc([C@@H](N)[C@H]3CCN(C)S3(=O)=O)ccc21 2154716881 CWJCVPVYLPSGLK-ZIAGYGMSSA-N 295.408 0.713 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CCC[C@H](CCO)C1 51892497 WFIBHQNAAWNZLU-SECBINFHSA-N 266.297 0.727 10 10 CCCE O=C(C[S@@](=O)[C@H]1CCOC1)c1ccc(O)c(O)c1 2029177050 HCJVNYWLEREZSO-NIVTXAMTSA-N 270.306 0.818 10 10 CCCE COC[C@H](CNS(=O)(=O)Cc1ccc(N)cc1)OC 300553883 JAKSXBWJWBSYFO-LBPRGKRZSA-N 288.369 0.350 10 10 CCCE C[C@@H]1C[C@H](CO)CN1C[C@@H](O)COc1ccc(N)cc1 2156550266 LSBQNVBEUAOWCA-MBNYWOFBSA-N 280.368 0.711 10 10 CCCE COCCN1C[C@H](O)[C@@H](N2CCC(CN=[N+]=[N-])CC2)C1 2156897654 KVTZWJDEYLMAQQ-STQMWFEESA-N 283.376 0.700 10 10 CCCE COC[C@](O)(CO)CN[C@@H](C)c1cc(OC)ccc1O 2158617782 GOHMZOYXTZIQEF-IINYFYTJSA-N 285.340 0.421 10 10 CCCE O=C(O)[C@@H]1CO[C@@H]2CN(Cc3ccc(O)cc3O)C[C@H]21 2160859369 QQMADPQUQDTBTP-DMDPSCGWSA-N 279.292 0.629 10 10 CCCE CCNCc1ccc(N2C[C@H](CO)[C@@H](CO)C2)cc1 704816881 UYWABTFAMAQMNR-ZIAGYGMSSA-N 264.369 0.833 10 10 CCCE C[C@H]1CN(c2ccc(CN)c(F)c2)CCS1(=O)=O 707126363 QBMHHGKDELLYQU-VIFPVBQESA-N 272.345 0.908 10 10 CCCE C[C@@H]1CN(c2ccc3c(c2)N(C)C(=O)[C@@H]3O)C[C@@H]1CO 708582072 ZTZOWCPMCLEVFB-GPCCPHFNSA-N 276.336 0.761 10 10 CCCE CO[C@@H]1CS(=O)(=O)C[C@H]1N(C)c1ccc(CN)cc1C 711284894 KJGMQAAFQVKEKA-ZIAGYGMSSA-N 298.408 0.702 10 10 CCCE CCN(c1ccc2c(c1)NC(=O)[C@@H]2O)[C@H]1CCNC1=O 2171230474 SSYAWCLUAZKBCK-NWDGAFQWSA-N 275.308 0.387 10 10 CCCE O=S(=O)(C[C@@H]1CCNC1)Nc1ccc(O)c(F)c1 722227524 GOJINHWGLJMNIQ-MRVPVSSYSA-N 274.317 0.883 10 10 CCCE C[C@H](N[C@H]1CN(C)NC1=O)c1cc(O)ccc1O 393910504 YQYNZEWOOPHOJX-XVKPBYJWSA-N 251.286 0.094 10 10 CCCE Nc1ccc(CS(=O)(=O)NCC2[C@@H]3COC[C@@H]23)cc1 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Nc1ccc(OCC(=O)N2CC3(CC(O)C3)C2)cc1 2090136773 SQOQMNKVDCIPTH-UHFFFAOYSA-N 262.309 0.631 10 10 CCCE Cc1ccc(O)c(CN2CCO[C@@H]3[C@@H](C(=O)O)[C@H]32)c1 2092841194 ALCLFAFUFJRGTH-YNEHKIRRSA-N 263.293 0.984 10 10 CCCE NC[C@@H]1[C@H]2CCN(C(=O)c3cccc(O)c3O)C[C@@H]12 2093095092 OIJZJCYGRXXOJG-FBIMIBRVSA-N 262.309 0.765 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC[C@H](O)C2(CC2)C1 2093180995 QBQIXXKDFVEYSO-VIFPVBQESA-N 264.281 0.480 10 10 CCCE CN1CCC[C@H]1C(=O)NCCOc1ccc(N)cc1 2095061243 NXZJXMWGQYAYKL-ZDUSSCGKSA-N 263.341 0.858 10 10 CCCE COc1ccc([C@H](C)N[C@H](C)CS(N)(=O)=O)c(O)c1 2096643888 QIZSFMWMEBSEML-BDAKNGLRSA-N 288.369 0.728 10 10 CCCE O=C(O)CO[C@@H]1CCN(Cc2ccc(O)cc2O)C1 2096816073 HMZDASAQNWOMAY-LLVKDONJSA-N 267.281 0.773 10 10 CCCE Oc1ccc(CNCCN2C[C@H]3C[C@H]3C2)c(O)c1O 2099620390 QLAFQOJNOFTJEY-PHIMTYICSA-N 264.325 0.845 10 10 CCCE [N-]=[N+]=N[C@@H]1CCC[C@H]1NS(=O)(=O)c1cnc[nH]1 2213591888 QWITVKGPVGRYCM-RNFRBKRXSA-N 256.291 0.919 10 10 CCCE Cc1cccc(CN=c2ccc3nc(=N)[nH]n3[nH]2)c1O 2204629057 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CCO[C@@H]1CS(=O)(=O)C[C@H]1N(C)c1ccc(N)cc1 697076556 SVTRBZRXYDUUHP-CHWSQXEVSA-N 284.381 0.907 10 10 CCCE CCN1CC[C@@H](OC(=O)COc2ccc(N)cc2)C1=O 696245109 WUOBQFBQILPINL-GFCCVEGCSA-N 278.308 0.812 10 10 CCCE Cn1nccc1CC(=O)NCc1ccc(O)c(O)c1 768075957 BZSOSBUDASZZCU-UHFFFAOYSA-N 261.281 0.690 10 10 CCCE CO[C@@H]1COC[C@@H]1NC(=O)N1Cc2cccc(O)c2C1 875664669 USBSRTMYODBCOL-WCQYABFASA-N 278.308 0.831 10 10 CCCE NCc1ccc(N2CCN(CC(N)=O)CC2)c(Cl)c1 700774112 PQGILYDKPSHFND-UHFFFAOYSA-N 282.775 0.406 10 10 CCCE CNCc1cc(F)c(N2CCC(CO)(CO)C2)c(F)c1 703683069 XPMUMTUDPIELIM-UHFFFAOYSA-N 286.322 0.865 10 10 CCCE C[C@H](C(N)=O)N(C)C(=O)[C@H]1CNc2ccccc2N1 711113866 GZMRACVORZOZPV-LDYMZIIASA-N 262.313 0.225 10 10 CCCE N[C@@H](CS(=O)(=O)Nc1ccc(O)cc1Cl)C(=O)O 691782037 ZELCFHHGOXQPFX-ZETCQYMHSA-N 294.716 0.199 10 10 CCCE C[C@H]1[C@H](NC(=O)c2ccc(O)c(O)c2)CCN1C 719337805 QDBIDAONJAQYCL-WCBMZHEXSA-N 250.298 0.920 10 10 CCCE C[C@@H](O)C1CN(c2ccc3c(c2)N(C)C(=O)[C@H]3N)C1 719787194 RTSPFGGSDLAKMG-OQPBUACISA-N 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CNCc1cnc(Sc2nnc3nc[nH]n23)s1 1949568811 ATBXUYDJZIMSJK-UHFFFAOYSA-N 267.343 0.780 10 10 CCCE CON(C)C1CN(c2cc3c(cc2N)OCC(=O)N3)C1 2144627161 HFKRNBXTRMXKOV-UHFFFAOYSA-N 278.312 0.282 10 10 CCCE COCCS(=O)(=O)CCNCc1ccc2c(c1)CCO2 1968724860 CJBSMHASSILVOP-UHFFFAOYSA-N 299.392 0.772 10 10 CCCE N[C@H](C(=O)NCc1ccccc1O)[C@H]1CCCO1 1969154953 SIZHUZTXCWATMK-NEPJUHHUSA-N 250.298 0.515 10 10 CCCE Cn1cnnc1CNCc1cc2c(cc1O)OCO2 42880267 RIDBSFAIBNMZBV-UHFFFAOYSA-N 262.269 0.539 10 10 CCCE Nc1ccc(OCCC(=O)N2CCOC[C@H]2CO)cc1 167898255 PTOHLTVKDYRZEX-GFCCVEGCSA-N 280.324 0.257 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N3CCCOCC3)cc21 155751237 ZFXRMFHGXCXPGO-ZDUSSCGKSA-N 261.325 0.890 10 10 CCCE CO[C@@H]1CN(C[C@H](O)COc2ccc(N)cc2)C[C@H]1F 2146484828 QRAUXKKLMPDYHA-IACUBPJLSA-N 284.331 0.677 10 10 CCCE Nc1ccc(CCC(=O)N2C[C@H]3OCCO[C@@H]3C2)cc1 2149773382 WMEBPFVKTDHVLO-ZIAGYGMSSA-N 276.336 0.828 10 10 CCCE Nc1ccc(NC(=O)CN2C[C@H]3C[C@@]2(CO)CO3)cc1 2151004549 YSUZKULDHLJPEZ-TZMCWYRMSA-N 277.324 0.043 10 10 CCCE CCOC(=O)NS(=O)(=O)N(C)Cc1ccc(N)cc1 162755672 CRJXPMWUSJNBBQ-UHFFFAOYSA-N 287.341 0.692 10 10 CCCE C[C@@](O)(C1CCS(=O)(=O)CC1)[C@H](N)c1ccccc1O 2148154237 RITCPAPKNOBFHI-ZIAGYGMSSA-N 299.392 0.968 10 10 CCCE CC(C)(C)CN(C(=O)c1cc(O)nc(O)c1)C1CNC1 2160193824 PVDYPVOQPNLHHK-UHFFFAOYSA-N 279.340 0.953 10 10 CCCE C[C@@]12CCC(=O)N1[C@H](C(=O)NCCN=[N+]=[N-])CS2 701297009 QNYNIBJLKSQIDH-OIBJUYFYSA-N 269.330 0.867 10 10 CCCE Nc1ccc(CN2CC[C@H]3CS(=O)(=O)C[C@H]32)cc1 2033875506 XVFSYURFUCOEQM-WCQYABFASA-N 266.366 0.888 10 10 CCCE Nc1ccc(OCC(=O)N[C@@H]2CO[C@H]3COC[C@@H]23)cc1 2158044363 VTFWBVNVIAJGFS-XQQFMLRXSA-N 278.308 0.178 10 10 CCCE C[C@]1(CO)CN(c2ccc(CO)cc2)C[C@]1(C)CO 704272911 PSDGAAAPNTYKGS-HUUCEWRRSA-N 265.353 0.996 10 10 CCCE COc1ccc(N2CCN(C)[C@H](CO)C2)c([N+](=O)[O-])c1 687607721 ULEMBDZRKYREAH-JTQLQIEISA-N 281.312 0.716 10 10 CCCE C[C@H]1CS(=O)(=O)C[C@@H]1Nc1c(N)cccc1C(N)=O 712310237 LMHQNNJONOSJDO-XVKPBYJWSA-N 283.353 0.213 10 10 CCCE C[C@H]1CN(C)C[C@H](CNCc2cccc(O)c2O)O1 697291619 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CCCE CN1CCN[C@@H](CNC(=O)CCc2ccc(N)cc2)C1 2191673915 JAIMRZBUQSUQQO-AWEZNQCLSA-N 276.384 0.221 10 10 CCCE C[C@@]12CNC[C@@H]1CN(C(=O)COc1ccc(N)cc1)C2 2191710091 LJRDCNUOCWEPPT-ABAIWWIYSA-N 275.352 0.716 10 10 CCCE Nc1ccc(OCC(=O)N2CC[C@H]3CNC[C@@H]3C2)cc1 2191708801 ZYHYIHWZLCBKGH-NWDGAFQWSA-N 275.352 0.716 10 10 CCCE Nc1ccc(OCC(=O)N2CC[C@H](C3CNC3)C2)cc1 2191715392 YXOMCRUJCVZBFK-NSHDSACASA-N 275.352 0.716 10 10 CCCE NC[C@H](CC(=O)C(=O)C[C@H]1C[C@H](N)C1)C(F)(F)F 2059447388 QGGMJKYCFIKKPW-FXQIFTODSA-N 266.263 0.779 10 10 CCCE COC(=O)[C@H](CN[C@@H](C)c1ccccc1O)NC(C)=O 2192602035 GFEANWQYHBTDME-CABZTGNLSA-N 280.324 0.721 10 10 CCCE [N-]=[N+]=NCCCN[C@]1(C(N)=O)C[C@H]2CN[C@@H](C2)C1 2062825145 DTRAECGADZNEHL-ATZCPNFKSA-N 252.322 0.272 10 10 CCCE CNC(=O)[C@@H](C)CN(C)c1ccc(CO)c([N+](=O)[O-])c1 2188573563 HQWFSIPWOPQZEA-VIFPVBQESA-N 281.312 0.905 10 10 CCCE COC[C@@H]1C[C@H]1C(=O)NCc1cc(N)ccc1O 2069638484 MOPHGVAUMQEOKO-GXSJLCMTSA-N 250.298 0.873 10 10 CCCE CCN(C[C@@H](C)N)C(=O)COc1ccc(N)cc1 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COC(=O)CCNC(=O)N(C(C)=O)c1ccc(N)cc1 242790148 DZEULHOHEDVYRL-UHFFFAOYSA-N 279.296 0.894 10 10 CCCE CC(=O)C(=O)COC(=O)CNC(=O)CCC(C)C 808513499 GIENAZJVTFIXNN-UHFFFAOYSA-N 257.286 0.240 10 10 CCCE CC(=O)C(=O)COC(=O)c1ccnc2c1ncn2C 808550653 KPMXHAKKPLBFBJ-UHFFFAOYSA-N 261.237 0.283 10 10 CCCE CN[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)C[C@H]1C 721625396 SMWIOTGAZFHKCX-SCZZXKLOSA-N 265.313 0.563 10 10 CCCE O=[S@]1(O)=C[CH-][C@@H](NC2=C=NC(Br)=C=N2)C1 725506326 XMOPUASXKGIWBA-ZCFIWIBFSA-N 289.134 0.153 10 10 CCCE Nc1ccc(OC[C@@H](O)CN2C[C@@H]3C[C@H](C2)O3)cc1 1899763367 MBAXOPYRSUDCIQ-FPMFFAJLSA-N 264.325 0.482 10 10 CCCE CN(C(=O)c1cc(O)nc(O)c1)[C@@H]1CCCC[C@H]1O 132831361 QPHXIPOGZPWYEZ-NXEZZACHSA-N 266.297 0.868 10 10 CCCE N[C@H](c1nnc(/C=C/C(=O)O)o1)c1ccc(O)cc1O 83578778 USJXXLMQLAPQJF-UFFNRZRYSA-N 277.236 0.627 10 10 CCCE C[C@@H](O)[C@H](NCc1ccc(N2CCNCC2)cc1)C(=O)O 84846391 WQXCUFYRIWEDSI-RISCZKNCSA-N 293.367 0.020 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3CC(n4cncn4)C3)ccc21 708257093 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C[C@H](N[C@@H]1CN(C)NC1=O)c1ccc(O)cc1O 393903627 IOPBMCGHQDHTGB-OIBJUYFYSA-N 251.286 0.094 10 10 CCCE CN1CCO[C@H](C(=O)Nc2ccc(O)c(O)c2)C1 2062623187 ZHSBWKQIJJRBFJ-NSHDSACASA-N 252.270 0.367 10 10 CCCE COC(=O)c1cccc(N)c1NC1[C@@H]2CS(=O)(=O)C[C@@H]12 2174644158 XTGPSMKKOAUCKF-RKDXNWHRSA-N 296.348 0.510 10 10 CCCE O=C(O)C[C@H]1C[C@H](NC(=O)c2cc(O)c(O)c(O)c2)C1 2188874366 GQDGUUQRNPFUPW-FKQCQYRASA-N 281.264 0.787 10 10 CCCE NC[C@@H](NCc1ccc2c(c1)CCCO2)C(=O)O 2042401738 PENJWVCRRASPTL-LLVKDONJSA-N 250.298 0.513 10 10 CCCE C[C@H]1CC(=O)CCN1C(=O)c1cc(O)nc(O)c1 2051954632 DOUNCSBDCSJNQQ-ZETCQYMHSA-N 250.254 0.686 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC=C[C@@H]2CO)cc1 2056278917 ATVMXNOPSBCBBK-GFCCVEGCSA-N 268.338 0.331 10 10 CCCE COCCNC(=O)[C@@H](C)N1CCC[C@@H]1CN=[N+]=[N-] 2059057318 BSLKTKNYSUEDDM-NXEZZACHSA-N 255.322 0.912 10 10 CCCE C[C@@H](O)c1ccc(N2C[C@@H]3C[C@H]2CN3C(N)=O)cc1O 2192278783 MIMPHXFQFXKHDP-MIMYLULJSA-N 277.324 0.787 10 10 CCCE CNC[C@H](C)CNC(=O)COc1ccc(N)cc1 2071725061 PXWGUYKEAZAKQJ-JTQLQIEISA-N 251.330 0.619 10 10 CCCE C[C@]1(CO)COCCN(C(=O)c2ccc(O)c(O)c2)C1 2199821574 UNEWLPQYMUFIDX-AWEZNQCLSA-N 281.308 0.569 10 10 CCCE O=C(NCc1ccccc1O)[C@@H]1CO[C@H]2CNC[C@H]12 2104622880 XPQXBQZXPPVXLQ-WZRBSPASSA-N 262.309 0.243 10 10 CCCE COC(=O)CN(C)S(=O)(=O)Nc1ccc(O)c(F)c1 2105186412 QVKICGDUBVSZLS-UHFFFAOYSA-N 292.288 0.293 10 10 CCCE CN(CC1CC(O)C1)C(=O)Cc1ccc(O)c(O)c1 2087724249 DTTWXWCBSBJISM-UHFFFAOYSA-N 265.309 0.870 10 10 CCCE Nc1ccc(O)c(CNC(=O)CCn2cnnc2)c1 2090277554 IKVSJHXWUYFDLW-UHFFFAOYSA-N 261.285 0.272 10 10 CCCE CC(C)OC[C@H](O)Cn1ccc2c(c1=O)CNCC2 2099496874 HHYQQULTDAAGCF-GFCCVEGCSA-N 266.341 0.280 10 10 CCCE NCCc1ocnc1CN1CCCc2nnc(O)cc21 2206096874 CDXWLELANAQXET-UHFFFAOYSA-N 275.312 0.624 10 10 CCCE C[C@H]1Cc2cc(N3CCC(O)(C(N)=O)CC3)ccc2O1 2235062797 QYZKWJKLJSUFCH-JTQLQIEISA-N 276.336 0.827 10 10 CCCE COC[C@@H]1[C@H](O)[C@H](O)CN1c1ccc2c(c1)COCC2 2235068754 FKQWJXZELJIUTH-KFWWJZLASA-N 279.336 0.316 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)O)O2)C1 2225793125 SSLCRIMRPSXYKD-YIZRAAEISA-N 268.273 0.777 10 10 CCCE COc1ccc(N2C[C@@H]3C[C@H](C2)[C@@H](O)[C@@H]3O)c(CN)c1 2235975347 SICAQJRJQKIRJA-BAESOJJISA-N 278.352 0.332 10 10 CCCE CC(C)Oc1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CO)cc1 2226772381 UPKYFWCNTQOADJ-MELADBBJSA-N 267.325 0.377 10 10 CCCE CN(C)c1ccc(OCCN[C@@H]2CCS(=O)(=O)C2)cc1 2237690561 ZGQNMYDNKWJSOK-GFCCVEGCSA-N 298.408 0.908 10 10 CCCE COc1ccc(N2C[C@H]3C[C@H]2CS3(=O)=O)c(CN)c1 2227673452 OUJDFLUNPLCHGQ-CMPLNLGQSA-N 282.365 0.530 10 10 CCCE COc1ccc(N2CCNC(=O)C[C@@H]2C)c(CO)c1 2227709680 WQZGNBJCHDUECS-JTQLQIEISA-N 264.325 0.902 10 10 CCCE COc1ccc(N(C)C[C@H](O)CN2CCNCC2)cc1 2279037562 JGZKAISPIJALPS-AWEZNQCLSA-N 279.384 0.398 10 10 CCCE CSc1ncc(CNC(=O)C2=C[C@H](O)[C@@H](N)C2)s1 2257085994 JXBURVXBVUUIOX-IUCAKERBSA-N 285.394 0.500 10 10 CCCE CSc1ncc(CNS(=O)(=O)C[C@H](C)CN)s1 2248708685 RZUMBRIEZGOEFY-SSDOTTSWSA-N 295.455 0.879 10 10 CCCE Cn1c(O)cn(C(=O)CCOc2ccc(N)cc2)c1=O 2280563422 MDNVSJIYWYCENU-UHFFFAOYSA-N 277.280 0.584 10 10 CCCE Nc1cc2c(cc1N1C[C@@H]3C[C@H](C1)[C@H]3O)NC(=O)CO2 2286222351 DJOKEGAAPMCUKA-IFCRSTKPSA-N 275.308 0.417 10 10 CCCE CC[C@@H](N)c1ccc(N2C[C@H](O)[C@H](O)[C@@H](CO)C2)cc1 2289396146 BONPPQHRQBFBMC-REBRKWNGSA-N 280.368 0.247 10 10 CCCE C[C@@H](O)CCCN(C)C(=O)c1cc(O)nc(O)c1 2314586441 DEPICVYLHFAXPO-MRVPVSSYSA-N 254.286 0.726 10 10 CCCE CO[C@@]1(C)C[C@@H]2C[C@H]1C[C@]2(NCCN=[N+]=[N-])C(N)=O 2331588522 SNESGTACRKOYTK-FSZOTQKASA-N 267.333 0.945 10 10 CCCE COc1cc(C)c(N2C[C@@H](O)[C@@H](O)[C@H]2CO)cc1C 2333690104 JZOHESNLRJRHBP-BZPMIXESSA-N 267.325 0.215 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N3C[C@@H](C)[C@@H](O)C3)ccc21 2341297012 LPGQHIYCMOFINX-OXHMUOHRSA-N 261.325 0.716 10 10 CCCE Nc1ccc(CN2C(=O)C(=O)N[C@@H]3CCC[C@H]32)cc1 2343029519 DBOSOOYHDPZTPC-VXGBXAGGSA-N 259.309 0.648 10 10 CCCE CCNCc1ccc(N2CC(O)(CN(C)C)C2)cc1 2343638875 KOJRMCAAQONPBR-UHFFFAOYSA-N 263.385 0.909 10 10 CCCE Nc1ccc(NC(=O)CCCn2[nH]c(=O)ccc2=O)cc1 22178290 OGFNYFFNJYPSDU-UHFFFAOYSA-N 288.307 0.538 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC[C@H](O)C2)cc1 61708896 PUEFMLXJSOGQCQ-NSHDSACASA-N 256.327 0.165 10 10 CCCE CO[C@@H](c1cc(O)nc(O)c1)[C@@H](N)C(=O)OC(C)(C)C 1952774983 MVUCEMKWGBQIOH-MNOVXSKESA-N 284.312 0.849 10 10 CCCE CC(=O)NCCNC(=O)[C@H](C)Cc1ccc(O)c(O)c1 170245417 MEUAIMVIKMGSDU-SECBINFHSA-N 280.324 0.529 10 10 CCCE O[C@@H]1CCc2cc(N3CC[C@@H]4C[C@H]3[C@@H](O)[C@@H]4O)ccc21 2357587072 IBPVDULDMUNPQO-RNPDWPAJSA-N 275.348 0.987 10 10 CCCE COc1ccc(CN(C)CC(=O)N2CCNCC2)c(O)c1 40906891 FXJQDUWYUXMBGR-UHFFFAOYSA-N 293.367 0.264 10 10 CCCE O=C1NCCCC[C@H]1NCc1cccc(O)c1O 41117054 DFXPTQFHXDRSGX-SNVBAGLBSA-N 250.298 0.856 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CC[C@@H](CCO)C1 227041513 HJLAWDSFSFSWSA-VIFPVBQESA-N 251.282 0.942 10 10 CCCE CCNCc1cc(F)c(N2CC(=O)NC(=O)[C@@H]2C)c(F)c1 97295597 PMKVDSYDSLKKLC-QMMMGPOBSA-N 297.305 0.926 10 10 CCCE Cc1cc(N2CC(=O)NC(=O)[C@H]2C)ccc1/C=C/C(=O)O 97296609 HEZCUCVDGXAQFB-DFVUYQKZSA-N 288.303 0.944 10 10 CCCE CC(C)(C)OC(=O)N[C@@H](C(=O)O)[C@@H](O)CN=[N+]=[N-] 144696568 FXCAVYOPVJYKHA-NTSWFWBYSA-N 260.250 0.636 10 10 CCCE C[C@H]1CN(C(=O)c2ccc(O)c(O)c2)CC[C@@H]1O 230956732 RLJDIQBLRFLRPN-WPRPVWTQSA-N 251.282 0.941 10 10 CCCE CN(C)CCN[C@@H](C(=O)O)c1cc(F)ccc1O 234237796 AKAXHFRYYYFTJO-LLVKDONJSA-N 256.277 0.808 10 10 CCCE NC[C@@H](O)c1c(F)cc(O)c(O)c1Br 258413871 BYKLIWOMJSWEIQ-RXMQYKEDSA-N 266.066 0.992 10 10 CCCE CC(=O)C(=O)COC(=O)c1cnc2c(C)cccn2c1=O 808532992 DARWFYUYLVWODH-UHFFFAOYSA-N 288.259 0.318 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCc1cnsn1 2167116138 GWJSYPJXRUQKQD-VIFPVBQESA-N 294.336 0.136 10 10 CCCE CC[C@H](N)c1ccc(N2CCN(CC(N)=O)CC2)cc1 723177693 VVOQCJDPQQAISN-AWEZNQCLSA-N 276.384 0.704 10 10 CCCE O=C(NCCO)c1ccc(NCc2ccccc2O)nn1 774525259 WQHKJCIFDCTTLF-UHFFFAOYSA-N 288.307 0.516 10 10 CCCE O=C1OC[C@]2(CNCc3cc(F)ccc3O)COCCN12 872262995 TUJMTGZYGVGQIM-AWEZNQCLSA-N 296.298 0.842 10 10 CCCE N[C@H](c1nnc(CCC(=O)O)o1)c1ccc(O)cc1O 83588066 AYSMNSQHFUAMHR-NSHDSACASA-N 279.252 0.546 10 10 CCCE C[C@@H](c1cc(O)ccc1O)N(CC(=O)O)CC(=O)O 86773995 OYDUDNLLQUJULX-ZETCQYMHSA-N 269.253 0.630 10 10 CCCE C[C@H](O)[C@@H]1CCCN(C(=O)c2cc(O)nc(O)c2)C1 689007577 PWMRNIYTTRRCFZ-DTWKUNHWSA-N 266.297 0.726 10 10 CCCE CC(C)[C@@H]1COC[C@@]1(NCCCN=[N+]=[N-])C(N)=O 710999022 LUXPANOXBRZJAL-ONGXEEELSA-N 255.322 0.803 10 10 CCCE COc1ccc(CNC(=O)NCc2cn(C)nn2)c(O)c1 793041390 AGRIHHPBXAVVGR-UHFFFAOYSA-N 291.311 0.529 10 10 CCCE O=C(NCCN=c1cc[nH]cc1)c1cccc(O)c1O 790559452 MMLDOZQSYQXRGD-UHFFFAOYSA-N 273.292 0.757 10 10 CCCE COC(=O)CC1(NC(=O)Cc2ccc(O)c(O)c2)CC1 1300386078 OXBIFMJWANRYKE-UHFFFAOYSA-N 279.292 0.852 10 10 CCCE CC(C)[C@@H](NC(N)=O)C(=O)NCC1(CN=[N+]=[N-])CC1 2117730034 AVZGOTPOSSJJCE-MRVPVSSYSA-N 268.321 0.886 10 10 CCCE OC[C@@H]1C[C@H](CO)N(c2ccc3c(c2)CC[C@@H]3O)C1 2128321994 LKGFKMDECCSZBT-YVLXSGLVSA-N 263.337 0.846 10 10 CCCE O=C1NCC2(CN(c3ccc4c(c3)CC[C@H]4O)C2)N1 2128322691 QHWSOMUWFSNUEX-GFCCVEGCSA-N 259.309 0.538 10 10 CCCE NCC1(CNC(=O)c2cc(O)c(O)c(O)c2)CCC1 2132409821 ICDXUNIRHYJPFR-UHFFFAOYSA-N 266.297 0.662 10 10 CCCE O=C(O)[C@@H]1CC12CN(C(=O)c1cccc(O)c1O)C2 1914764914 TTZXXVPUSUQUEK-QMMMGPOBSA-N 263.249 0.645 10 10 CCCE Cn1cnnc1CCNS(=O)(=O)Cc1ccc(N)cc1 109421809 LSIWFWFDHZKWLC-UHFFFAOYSA-N 295.368 0.059 10 10 CCCE O=C(c1cccc(O)c1O)N1CCC[C@@H]2CNC[C@H]21 221443134 SEARHASNRFLZSZ-MWLCHTKSSA-N 262.309 0.922 10 10 CCCE CN(C)[C@H]1COC[C@H]1CNCc1ccc(O)c(O)c1 1924672734 QZTHDLRIJXITBX-NEPJUHHUSA-N 266.341 0.764 10 10 CCCE CCN(CC(=O)NC)C(=O)[C@@H]1CNc2ccccc2N1 229878665 JUXUYJYZGVEAPL-LBPRGKRZSA-N 276.340 0.487 10 10 CCCE C[C@@H]1CN(C(=O)COc2ccc(N)cc2)C[C@@H](CO)O1 229936308 UXGZEVUQDFRBCR-MFKMUULPSA-N 280.324 0.256 10 10 CCCE Cn1ncc(CCC(=O)NCc2ccc(O)cc2O)n1 1639444487 NHDCWRYAYRAUDD-UHFFFAOYSA-N 276.296 0.475 10 10 CCCE N[C@@]1(C(=O)O)CCCN(c2ccc3c(c2)OCO3)C1 259378239 PZFPIFBIHYBIIY-ZDUSSCGKSA-N 264.281 0.798 10 10 CCCE CN(Cc1ccc(N)cc1)C(=O)Cn1cc(N)cn1 1876477450 JUFDPFDTTNKVRW-UHFFFAOYSA-N 259.313 0.706 10 10 CCCE CN(c1cnn(C)c1)S(=O)(=O)Cc1ccc(N)cc1 1174330045 MKAILAZTRRMSIK-UHFFFAOYSA-N 280.353 0.969 10 10 CCCE Nc1ccc(N2CCNC(=O)[C@@]23CCCNC3)cc1 1879821250 KNRQBVMBCBOAFF-AWEZNQCLSA-N 260.341 0.327 10 10 CCCE C[C@H](C(=O)NCCc1ccc(O)c(O)c1)[C@@H](C)N 1968739575 SOZKTRDNZWLWAL-DTWKUNHWSA-N 252.314 0.740 10 10 CCCE C[C@@H](N)[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1 1971069800 MZJUDXFBNLZGNQ-MWLCHTKSSA-N 264.325 0.836 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC[C@@H](O)C(F)(F)CC1 2150032154 FQYMZIVKONETNS-MRVPVSSYSA-N 288.250 0.725 10 10 CCCE CN1CCc2cc([C@@H](N)CS(C)(=O)=O)ccc21 1999536663 MZJZNVOWTODLGN-NSHDSACASA-N 254.355 0.723 10 10 CCCE Nc1ccc(CC(=O)N2CCN(CC(=O)O)CC2)cc1 40482613 JLXJWJFCXUZXAQ-UHFFFAOYSA-N 277.324 0.040 10 10 CCCE O=C(O)[C@H](Cc1ccc(O)c(O)c1)N1CCCOC1=O 41158384 WUXISAYPGGNCLK-VIFPVBQESA-N 281.264 0.936 10 10 CCCE CN(CCCc1ccc(N)cc1)[C@H]1COC[C@@H]1O 2030143789 FGGOMTMIAKOTQJ-KBPBESRZSA-N 250.342 0.893 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3CC(CO)C3)c(Cl)cc21 2031673266 XAVVLEVWWLOEER-LLVKDONJSA-N 267.716 0.720 10 10 CCCE O=C(NC[C@H]1CCS1(=O)=O)c1ccc(O)c(O)c1 2033314089 VDACHNKTJUATQU-MRVPVSSYSA-N 271.294 0.015 10 10 CCCE CC(C)CN(CCO)C(=O)c1cc(O)nc(O)c1 2036721834 GRZBKIRAMJAIQE-UHFFFAOYSA-N 254.286 0.583 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N3CC[C@](C)(O)C3)ccc21 300109816 QMMDKWNSBPNVQQ-OCCSQVGLSA-N 261.325 0.860 10 10 CCCE CO[C@@]1(C(=O)NCc2ccc(N)cc2)CCOC1 402309365 KVWBKLXMKYAWPP-ZDUSSCGKSA-N 250.298 0.691 10 10 CCCE Nc1ccc(NC(=O)C[S@](=O)[C@H]2CCOC2)cc1 703075350 OWOKMRPZGDGEPX-VOJFVSQTSA-N 268.338 0.745 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN1S(=O)(=O)c1cn[nH]c1 692908178 CUJFEDOKXJUJQV-SSDOTTSWSA-N 256.291 0.873 10 10 CCCE Nc1ccc(CC(=O)N2CC[C@@H]3[C@H](C2)[C@H]3C(=O)O)cc1 721711661 LSSXWBGPSHZFQK-DYEKYZERSA-N 274.320 0.990 10 10 CCCE Nc1ccc(OC[C@@H](O)CN2CCSC[C@@H]2CO)cc1 387797854 OXHPJJGUVAKTJW-STQMWFEESA-N 298.408 0.418 10 10 CCCE C[C@@H](O)C1CN(c2ccc([N+](=O)[O-])c(CO)c2)C1 719897359 ODMHLXFTQLZZPF-MRVPVSSYSA-N 252.270 0.904 10 10 CCCE C[C@@H]1NC(=O)CC[C@H]1NC(=O)CCc1ccc(N)cc1 392967269 SIOGCEFELDCCHZ-GXFFZTMASA-N 275.352 0.985 10 10 CCCE CN[C@@H](C)c1ccc(N(C)CCC(N)=O)cc1O 723199763 ANGHLBIXWBRBBY-VIFPVBQESA-N 251.330 0.984 10 10 CCCE Cc1cc(O)n2ncc(C(=O)NC[C@H]3C[C@@H](O)C3)c2n1 2062779628 KERIHDGYVBXQNA-DTORHVGOSA-N 276.296 0.244 10 10 CCCE NCc1ccc(N2C[C@H]3COC[C@@H](C2)[C@@H]3O)c(F)c1F 2189071356 KUMVRJPCVDEWCI-MSRIBSCDSA-N 284.306 0.867 10 10 CCCE CN1CCO[C@@H]2CN(c3ccc(CN)cc3F)C[C@H]21 2097701819 CUQIKBADDVUSRA-ZIAGYGMSSA-N 265.332 0.804 10 10 CCCE C[C@H](N)[C@]1(C)CCN1C(=O)c1cc(O)nc(O)c1 2045162606 OZVCXDGYYXQMBF-MADCSZMMSA-N 251.286 0.445 10 10 CCCE C[C@H](O)c1ccc(N2CCN3CCOC[C@H]3C2)cc1O 2185876285 NFEAWZSMSLSENG-WCQYABFASA-N 278.352 0.966 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CCC[C@@H]3CNC[C@H]32)cc1 2191770892 XRSITXRDMGKOET-TZMCWYRMSA-N 295.408 0.782 10 10 CCCE Nc1ccc(CC(=O)NCC2(CO)CCNCC2)cc1 2191890179 CPADCZAYUBNNNB-UHFFFAOYSA-N 277.368 0.290 10 10 CCCE C[C@@H]1NCCN(c2cc3c(cc2N)OCC(=O)N3)[C@@H]1C 2191897585 DKKQFXJNDCDLNO-DTWKUNHWSA-N 276.340 0.786 10 10 CCCE CCC[C@@H](NCc1ccc(O)c(O)c1O)C(N)=O 2066439690 XXEVTJLFNCLUHZ-MRVPVSSYSA-N 254.286 0.547 10 10 CCCE CO[C@H](C)[C@H](C)NC(=O)c1cc(O)c(O)c(O)c1 2068616628 CBKNWKBIWYSSCY-NKWVEPMBSA-N 255.270 0.957 10 10 CCCE CC(C)ONS(=O)(=O)CCOc1ccc(N)cc1 2071728492 FXGKHDZGVJONTC-UHFFFAOYSA-N 274.342 0.907 10 10 CCCE CCC1(NC(=O)c2cc(O)nc(O)c2)CCNCC1 2101405631 MHZVQHZITCFWML-UHFFFAOYSA-N 265.313 0.755 10 10 CCCE C[C@]1(O)CN(CCc2ccc(N)cc2)CC[C@H]1O 2081716409 ONYBJTHSKLLUSL-KGLIPLIRSA-N 250.342 0.629 10 10 CCCE NCCC[C@H](NC(=O)c1ccc(O)c(O)c1)C(=O)O 2103249004 QEAYPCMLPPDCCB-QMMMGPOBSA-N 268.269 0.020 10 10 CCCE CN(C)C(=O)[C@@H]1CCN(Cc2cc(N)ccc2O)C1 2087400666 YJFQLTCFJNOWJE-SNVBAGLBSA-N 263.341 0.885 10 10 CCCE C[C@@]12CN(C(=O)c3ccc(O)c(O)c3)C[C@@]1(CO)C2 2109181187 FBKLEXRAGPSFIR-ZIAGYGMSSA-N 263.293 0.942 10 10 CCCE C[C@H]1C[C@H](O)[C@H](C)CN1C(=O)c1cc(O)nc(O)c1 2093106964 BSUUGKIWPJCFFN-WEDXCCLWSA-N 266.297 0.724 10 10 CCCE CN(C(=O)c1cc(O)c(O)c(O)c1)[C@H]1C[C@@H](O)C1 2217539768 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DMGKVNOAMOGXMJ-UHFFFAOYSA-N 252.270 0.528 10 10 CCCE NCc1cc(F)c(N2CC(O)(CCO)C2)c(F)c1 2258302136 ROHGWNIHRHLIFC-UHFFFAOYSA-N 258.268 0.357 10 10 CCCE CC(C)(CO)CS(=O)(=O)NCc1ccccc1O 2261246071 DBUVPYXCIBEJFY-UHFFFAOYSA-N 273.354 0.830 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@]12CCO[C@@H]1CNC2 2296418300 JHLQPHZKZVVKQK-HIFRSBDPSA-N 276.336 0.729 10 10 CCCE COc1cc(OC)c(N2CC(O)(CCO)C2)c(OC)c1 2287067758 DUNNSKCSFHUJAA-UHFFFAOYSA-N 283.324 0.646 10 10 CCCE C[C@@H](O)c1ccc(N2C[C@@H]3[C@H](C2)CS3(=O)=O)cc1 2314775234 ITHKXOWFMXISLG-IRUJWGPZSA-N 267.350 0.973 10 10 CCCE C[C@@H](O)c1ccc(N2C[C@H]3CS(=O)(=O)[C@@H]3C2)cc1 2314889566 ITHKXOWFMXISLG-SUZMYJTESA-N 267.350 0.973 10 10 CCCE CN1CCN(C(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])CC1=O 2343690254 KKJRNKUCSNUKOK-RKDXNWHRSA-N 266.305 0.701 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1C[C@@H](CO)[C@@H]2C[C@H]12 2354933882 YCBWDNFFAKWKIH-BJDJZHNGSA-N 277.320 0.773 10 10 CCCE C[C@@H](CNC(=O)c1cccc(O)c1O)CC(=O)O 126068075 LVBUBEVFSWDYPV-SSDOTTSWSA-N 253.254 0.938 10 10 CCCE Nc1ccc(CNS(=O)(=O)N2CCCC2)cc1 36288655 ADJRUHKLEPVYML-UHFFFAOYSA-N 255.343 0.699 10 10 CCCE Nc1ccc(CC(=O)N2CCO[C@H]3CNC[C@H]32)cc1 374501530 CYORGGHGJRHYOC-OLZOCXBDSA-N 261.325 0.011 10 10 CCCE COc1ccc(N2C[C@@H](CO)OC[C@@H]2C)c(N)c1 213436376 ONPPIDPOUZJYAQ-ONGXEEELSA-N 252.314 0.863 10 10 CCCE C[C@@H]1CO[C@H](CO)CN1c1ccc2c(c1)N(C)C(=O)[C@@H]2N 131412807 YUXYOWAAIFAZEK-OLUVUFQESA-N 291.351 0.249 10 10 CCCE O=C(NC[C@@H]1CCC[C@H]1O)c1ccc(O)c(O)c1 226998206 CSONVUSDIKMGRI-VHSXEESVSA-N 251.282 0.989 10 10 CCCE COCCn1nnnc1CN[C@@H](C)c1ccccc1O 2169371560 NQYFTRCTTNDQAG-JTQLQIEISA-N 277.328 0.876 10 10 CCCE CC(=O)C(=O)COC(=O)c1cnn(C)c1C(F)(F)F 808504777 MTBXFUWSLBPYIN-UHFFFAOYSA-N 278.186 0.754 10 10 CCCE COC(=O)C[C@@H](C)NC(=O)c1cc(OC)nc(OC)c1 2166938459 XARUNJHKYQBFDJ-MRVPVSSYSA-N 282.296 0.780 10 10 CCCE Nc1ccc(NC(=O)CN2CC(=O)N[C@H]3CC[C@@H]32)cc1 2168368357 XLNHCBJVTONTCU-RYUDHWBXSA-N 274.324 0.170 10 10 CCCE COC[C@@H]1[C@H](O)[C@H](O)CN1c1ccc(CN)c(C)c1 2225700580 LIFNMFJMJAIHSC-MCIONIFRSA-N 266.341 0.011 10 10 CCCE CCN(Cc1ccc(N)cc1)S(=O)(=O)NCCOC 128329088 BKFXADCABBEDIU-UHFFFAOYSA-N 287.385 0.572 10 10 CCCE C[C@@H]([C@H](O)c1ccc2c(c1)CCN2C)N1CC(N)C1 2131764691 AUVAOQVWBQDUJB-BONVTDFDSA-N 261.369 0.744 10 10 CCCE C[C@@H](NS(=O)(=O)Cc1ccc(N)cc1)c1cn(C)nn1 720558321 QUENELWALKELLR-SECBINFHSA-N 295.368 0.578 10 10 CCCE O=C(N[C@@H]1CCN(C2CCC2)C1=O)c1cccc(O)c1O 863834224 AHLWPGDJZNEIEQ-LLVKDONJSA-N 290.319 0.981 10 10 CCCE COC[C@](C)(O)C(=O)NCc1ccc2cccnc2c1O 862027049 HURMGLDDIVMXFX-HNNXBMFYSA-N 290.319 0.954 10 10 CCCE C[C@H](O)c1cc(F)c(N2C[C@@H](CO)[C@@H](O)C2)c(F)c1 1880482875 SSTCFMDOMSPQQG-DXBFQKDVSA-N 273.279 0.808 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N3[C@H]4COC[C@H]3C4)ccc21 1899612683 BZOGWXKFNJKQHC-GIPNMCIBSA-N 259.309 0.877 10 10 CCCE CC(=O)N(C)CC(=O)NCc1cc(O)ccc1O 1303223325 KHJIGTJFBDYJNA-UHFFFAOYSA-N 252.270 0.192 10 10 CCCE CN1N=C(C(=O)NCc2cccc(O)c2O)CCC1=O 1176564463 BENLKWHRVOUJEZ-UHFFFAOYSA-N 277.280 0.322 10 10 CCCE Nc1ccc(OCCNC(=O)CN2CSCC2=O)cc1 701356370 XHVPZRMEQZCNAU-UHFFFAOYSA-N 295.364 0.297 10 10 CCCE CN(C(=O)[C@@H]1CC[C@@H](C(=O)O)O1)c1ccc(N)cc1 702124643 HOLLJUBTCAJUTI-QWRGUYRKSA-N 264.281 0.864 10 10 CCCE O=C(C[C@H]1C=CS(=O)(=O)C1)NCc1cccc(O)c1O 1176576959 VRRGMNMGLHIWPL-SECBINFHSA-N 297.332 0.662 10 10 CCCE CC1(C)OCCO[C@@H]1[C@H](NCCCN=[N+]=[N-])C(N)=O 1889141417 NCFBJXJKLOHWQP-DTWKUNHWSA-N 271.321 0.324 10 10 CCCE CNCc1ccc(N(C)Cc2nnnn2C)cc1C 707676046 IUENNOGULINDGC-UHFFFAOYSA-N 260.345 0.874 10 10 CCCE CC(C)C[C@H]1COC[C@]1(NCCN=[N+]=[N-])C(N)=O 716292701 OJYFFKYLJFJUFV-GXSJLCMTSA-N 255.322 0.803 10 10 CCCE C[C@@H](NC[C@H](O)CN(C)C)c1ccc(O)cc1O 717359679 MHWFHUINVCGAPN-KOLCDFICSA-N 254.330 0.671 10 10 CCCE O=[N+]([O-])c1cc(NS(=O)(=O)N2CCC2)ccc1O 795347230 GRXUXRIOIDKLEO-UHFFFAOYSA-N 273.270 0.663 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CCN(C2CC2)C(=O)C1 1621292654 GFZPPXMIVBFWIR-UHFFFAOYSA-N 290.319 0.474 10 10 CCCE CC(C)n1nnc(NC(=O)Cc2ccc(O)c(O)c2)n1 1557792991 MMKZMVCBCYUXEQ-UHFFFAOYSA-N 277.284 0.846 10 10 CCCE O=C(NCc1ccc(O)cc1O)[C@@H](O)c1ccccn1 1630301693 HAULELXJGWBMFO-ZDUSSCGKSA-N 274.276 0.843 10 10 CCCE COCC(CNC(=O)c1cccc(O)c1O)COC 1910264528 PVZROOPJKDTHKX-UHFFFAOYSA-N 269.297 0.737 10 10 CCCE C[C@H](c1cc(O)ccc1O)N1CCN[C@H]2COC[C@H]21 2132561719 WLPLQYBTOWYSIQ-JIMOISOXSA-N 264.325 0.831 10 10 CCCE C[C@H]1[C@@H](O)CCN1c1cc2c(cc1N)OCC(=O)N2 1914446316 FLBJMCGCKXKBMB-CPCISQLKSA-N 263.297 0.559 10 10 CCCE COC[C@H]1C[C@@H]1CNS(=O)(=O)Cc1ccc(N)cc1 2133503783 JCGOEMNQIFDPOR-VXGBXAGGSA-N 284.381 0.971 10 10 CCCE Cn1c(CN2CCC[C@@H](N=[N+]=[N-])C2)cc(=O)n(C)c1=O 1912165580 MLWNARMMLGNSFQ-SECBINFHSA-N 278.316 0.359 10 10 CCCE COC(=O)CS(=O)(=O)N1CC[C@@H](CN=[N+]=[N-])C1 1912148868 YSWVOGFZTNVDNI-ZETCQYMHSA-N 262.291 0.121 10 10 CCCE Cn1cc(S(N)(=O)=O)cc1C(=O)N1CC[C@@H](N=[N+]=[N-])C1 1912143236 CLDIETIRTNNPQO-SSDOTTSWSA-N 298.328 0.197 10 10 CCCE C[C@H](NC(=O)N(C)Cc1ccc(N)cc1)S(C)(=O)=O 2138289177 PTWMSPAADAONNV-SECBINFHSA-N 285.369 0.801 10 10 CCCE CN(CC1(CO)CC1)c1ccc2c(c1)NC(=O)[C@H]2O 1915531142 IXKIGJGJCAPCEV-LBPRGKRZSA-N 262.309 0.881 10 10 CCCE O=C(NC[C@@H]1C[C@H]2NCC[C@H]12)c1cccc(O)c1O 2140678492 BATNHCKSJWNOAM-IQJOONFLSA-N 262.309 0.826 10 10 CCCE COc1ccc(O)c(CN2CC[C@](N)(C(=O)O)C2)c1 229202970 CHNKWBRPZXOWMV-CYBMUJFWSA-N 266.297 0.389 10 10 CCCE C[C@@H](O)c1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CO)cc1Cl 2136290076 YKMHBRZWYKCFCV-FFAVSVRISA-N 287.743 0.296 10 10 CCCE C[C@@H]1CCN(C(=O)COc2ccc(N)cc2)C[C@@H]1O 230210062 SYHZLMZIBYMBOR-MFKMUULPSA-N 264.325 0.877 10 10 CCCE COCCNCc1ccc(N2C[C@H](O)[C@@H](O)C2)c(F)c1 234699595 FHUBZPVVSACEHL-KBPBESRZSA-N 284.331 0.104 10 10 CCCE Oc1ccc(CN[C@H]2CN3CCC2CC3)c(O)c1O 236596637 UWNUQHWUIHAQPK-NSHDSACASA-N 264.325 0.987 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@@H](N)[C@H]1CCCO1 1968856931 FGHNDXIFAGYCAH-OLZOCXBDSA-N 264.325 0.857 10 10 CCCE O=C1Nc2cc(N3C[C@H](CO)C4(CC4)C3)ccc2[C@@H]1O 2144101642 QOHLWOUGXBHYEH-RNCFNFMXSA-N 274.320 0.881 10 10 CCCE NC(=O)[C@@H]1CCCN1c1cc2c(cc1N)OCC(=O)N2 35452751 HBNHPFUNIPLRTD-VIFPVBQESA-N 276.296 0.054 10 10 CCCE CCN(Cc1ccc(N)cc1)S(=O)(=O)NC(=O)OC 162756372 YYJVVSGBPPOUOW-UHFFFAOYSA-N 287.341 0.692 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3C[C@H]4CC[C@@]3(CO)C4)ccc21 2145950114 ATGGBGREFZUKSH-RJIBLYRGSA-N 273.336 0.990 10 10 CCCE Nc1ccc(OCCC(=O)NCc2nc[nH]n2)cc1 40308584 RFWQUFHTFGZAJD-UHFFFAOYSA-N 261.285 0.472 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)Nc1cnccn1 40461856 NXPHZIRKRKWCIG-VIFPVBQESA-N 274.280 0.396 10 10 CCCE C[C@H](CC(N)=O)N(C)c1cc2c(cc1F)[C@H](O)C(=O)N2 2151340519 NXCDSFBJCMGORS-INWYIAFRSA-N 281.287 0.511 10 10 CCCE C[C@@H](C(=O)Nc1ccc(N)cc1)N1C[C@H](O)C(F)(F)C1 2152098030 ITGLYLVXHCSRRU-KWQFWETISA-N 285.294 0.908 10 10 CCCE COc1ccc([C@H](C)NCCCS(N)(=O)=O)c(O)c1 45067492 GHTRMYBWFWMLFI-VIFPVBQESA-N 288.369 0.730 10 10 CCCE C[C@H]([C@@H](O)Cc1ccc(N)cc1)S(=O)(=O)N(C)C 2029028126 VSPCRHPWFQDMSP-SKDRFNHKSA-N 272.370 0.452 10 10 CCCE CO[C@]1([C@H](O)[C@@H](N)c2ccccc2O)CCOC1 2034006033 DDGYFTFQKKICJG-YNEHKIRRSA-N 253.298 0.558 10 10 CCCE CCn1nc(C)cc1[C@H](NCCN=[N+]=[N-])C(N)=O 2037814316 AHCVZCNMSAAUIL-VIFPVBQESA-N 251.294 0.638 10 10 CCCE NC(=O)[C@@H]1CCN(c2ccc([N+](=O)[O-])c(CO)c2)C1 300529958 JZCSZCUPSLDIOB-MRVPVSSYSA-N 265.269 0.399 10 10 CCCE CNC(=O)NCCCNCc1ccc(O)c(O)c1 2041188807 LWBCVGXZCIWEBI-UHFFFAOYSA-N 253.302 0.507 10 10 CCCE Cc1nn(C)c(C)c1[C@@H](NCCCN=[N+]=[N-])C(N)=O 307997243 OOEIJMICHSGXBJ-SNVBAGLBSA-N 265.321 0.853 10 10 CCCE Nc1ccc(CC(=O)NCC[C@@]2(O)CCOC2)cc1 404196898 IGNUKQYIEYPFSN-CQSZACIVSA-N 264.325 0.469 10 10 CCCE Nc1ccc(NC(=O)N2CCN3C[C@H](O)C[C@@H]3C2)cc1 405343331 FAYLJJOCMSOCAB-CHWSQXEVSA-N 276.340 0.552 10 10 CCCE O=C(O)C[C@@H]1CCC[C@@H]1NC(=O)c1cc(O)nc(O)c1 405530607 MRFJXLVUGZWPQR-CBAPKCEASA-N 280.280 0.866 10 10 CCCE O=C(NCCN1CCCCC1=O)c1cccc(O)c1O 405929874 GJZPPCIXBQSEGK-UHFFFAOYSA-N 278.308 0.840 10 10 CCCE CS(=O)(=O)[C@H]1CCCN(C(=O)Cc2ccc(N)cc2)C1 313070639 VJXQBKGNZGBCOW-ZDUSSCGKSA-N 296.392 0.847 10 10 CCCE C[C@H](NC[C@]1(O)CCN(C)C1)c1cc(O)ccc1O 702644638 WXLQRACJWXIPES-IINYFYTJSA-N 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C[C@@H](c1cc(F)ccc1O)N1CCNC[C@H]1C(N)=O 252651498 PHTHQWLRLFMLKE-KWQFWETISA-N 267.304 0.351 10 10 CCCE C[C@@H]1[C@H]2CNC[C@H]2CN1C(=O)Cc1ccc(O)c(O)c1 2144030328 ZRPNUZSUGGQESU-ADEWGFFLSA-N 276.336 0.707 10 10 CCCE CN[C@H](c1ncn(C)n1)[C@H](O)c1ccc(N(C)C)cc1 2147842414 ATJQHBFYZXYAJB-QWHCGFSZSA-N 275.356 0.875 10 10 CCCE C[C@H](N[C@H]1CN(C)C[C@H]1O)c1ccc(O)cc1O 2029866733 KYTTXHVTNGGRIE-LJUAHTATSA-N 252.314 0.423 10 10 CCCE O=C(N[C@H]1CCCn2ncnc21)c1cccc(O)c1O 193130201 KERHEFZYGKOSAO-VIFPVBQESA-N 274.280 0.954 10 10 CCCE O=C(N[C@@H](CC1CC1)C(=O)O)c1cc(O)nc(O)c1 311970156 JPVRTBPGGYWOID-QMMMGPOBSA-N 266.253 0.476 10 10 CCCE CN[C@@H](C)c1ccc(N2CC[C@@](O)(C(N)=O)C2)cc1 312032183 ZKGWLKLNJORRMN-HZMBPMFUSA-N 263.341 0.394 10 10 CCCE Cc1cc(N2CCCN(S(C)(=O)=O)CC2)ccc1CN 703174055 VOZHRADYFICOBW-UHFFFAOYSA-N 297.424 0.925 10 10 CCCE Nc1ccc(CC(=O)N2CC[C@H]3[C@H](C(=O)O)[C@@H]3C2)cc1 721711654 LSSXWBGPSHZFQK-BZPMIXESSA-N 274.320 0.990 10 10 CCCE C[C@@H](O)c1ccc(N(C)C[C@H](O)CN(C)C)cc1O 690298924 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Nc1ccc(OCCN2CC[C@@]3(CNC(=O)N3)C2)cc1 2177694210 RQUJORDJNNVCGS-CQSZACIVSA-N 276.340 0.405 10 10 CCCE Oc1ccc(CNC[C@@H]2C[C@H]3C[C@H]2[C@H](O)[C@@H]3O)c(O)c1 2174415382 AQOZUCUTAPGYOY-JPXUEEETSA-N 279.336 0.565 10 10 CCCE C[C@@H]1COC[C@H](C(=O)NCCc2ccc(O)c(O)c2)N1 2168308257 WICNMSDNTOCJTK-MWLCHTKSSA-N 280.324 0.133 10 10 CCCE C[C@H]1CNC(=O)CN1c1cc2c(cc1Cl)[C@@H](N)C(=O)N2 2181168002 PQUOHEZBUOMRKK-PWCHPLFNSA-N 294.742 0.617 10 10 CCCE COCC(=O)N1CCN(CCc2ccc(N)cc2)CC1 2182579982 MMRMHQLWIZIVOI-UHFFFAOYSA-N 277.368 0.602 10 10 CCCE CN[C@H](C)c1ccc(N2CC[C@](C)(O)[C@H](O)C2)cc1O 2197969900 ZJBADNAKNKDCPC-KMUNFCNLSA-N 280.368 0.995 10 10 CCCE COc1cccc(O)c1CN[C@H]1C=CS(=O)(=O)C1 2042572737 YJUGDCBEVVMPAC-VIFPVBQESA-N 269.322 0.801 10 10 CCCE Nc1ccc(OCCC(=O)N[C@H]2CC[C@@H]2O)cc1 2043152565 AWVYUMQPAIWARY-RYUDHWBXSA-N 250.298 0.677 10 10 CCCE CO[C@H](CCN)CNC(=O)c1cccc(O)c1O 2049493433 RLFHEKQQHZDIKN-MRVPVSSYSA-N 254.286 0.191 10 10 CCCE CN1C(=O)CO[C@H]2CCN(Cc3ccc(N)cc3)C[C@@H]21 2185578828 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CN(CCNC1CC1)C(=O)Cc1ccc(O)c(O)c1 2087723710 YIBVTQLTRNDDNK-UHFFFAOYSA-N 264.325 0.851 10 10 CCCE C[C@H](N[C@@H]1C[C@H](O)[C@@H](O)[C@@H]1O)c1ccc(F)cc1O 2108828968 MPNCZYURVKKOJY-CZFNTMQRSA-N 271.288 0.037 10 10 CCCE C[C@H](O)c1ccc(N2CC(OCC(N)=O)C2)cc1O 2089139464 LHECNUSHLDQSFM-QMMMGPOBSA-N 266.297 0.136 10 10 CCCE Cn1nnc2c(OCc3ccc(N)cc3)ncnc21 2090738621 GMIYRMIYXTWBJL-UHFFFAOYSA-N 256.269 0.920 10 10 CCCE O=C([C@@H]1CNc2ccccc2N1)N1C[C@H](O)[C@H](F)C1 2092767643 IJMJEULLLHMKIZ-ZHAHWJHGSA-N 265.288 0.434 10 10 CCCE C[C@@H](c1ccccc1O)N1CCC(N)(C(N)=O)CC1 2098047754 KVKHNSFBNGFDIK-JTQLQIEISA-N 263.341 0.732 10 10 CCCE COC(=O)[C@@](O)(CN1CC[C@@H](N=[N+]=[N-])C1)C(F)(F)F 2099332011 FYKNOVLKWPLGLH-SVRRBLITSA-N 282.222 0.837 10 10 CCCE COC1CN(S(=O)(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])C1 2218743626 GQVCSNVUSLNSIF-IUCAKERBSA-N 275.334 0.383 10 10 CCCE Cn1cnc(S(=O)(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])c1 2218741828 OQCHCZCLAPLSGA-YUMQZZPRSA-N 270.318 0.930 10 10 CCCE Cc1cc([C@H](C)N)ccc1N1CC2(CNC(=O)N2)C1 2232027570 MQOISOCXOIEMGQ-JTQLQIEISA-N 260.341 0.886 10 10 CCCE CN(CCCN=[N+]=[N-])C(=O)[C@@H]1[C@H](C(=O)O)[C@H]2C=C[C@H]1O2 2234171569 MXXLRGNJKYUFJV-DOLQZWNJSA-N 280.284 0.799 10 10 CCCE COc1ccc(N2CCOC[C@H]2CN(C)C)c(CN)c1 2235966195 PBSZKHPQGHVTCB-CYBMUJFWSA-N 279.384 0.921 10 10 CCCE N=c1nnc(OC[C@@H]2CCC3(CCCC3)CN2)n[nH]1 2226140364 ABZODIZQPXMTMS-VIFPVBQESA-N 264.333 0.370 10 10 CCCE COc1ccc(N(C)CC(C)(CO)CO)c(CN)c1 2227673785 ROCFRNHSEKPHED-UHFFFAOYSA-N 268.357 0.581 10 10 CCCE CSc1ncc(CNCCn2cc(CO)nn2)s1 2257126860 LMHFNZDVYJXZCS-UHFFFAOYSA-N 285.398 0.739 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@H]2C[C@H]3CO[C@H]2C3)cc1 2270753003 HEDAAXIVDISAIM-RTXFEEFZSA-N 282.365 0.866 10 10 CCCE O=C(O)CN(Cc1ccc(O)cc1O)[C@H]1CCOC1 2272413956 UTVOUOLUNAIXOV-JTQLQIEISA-N 267.281 0.773 10 10 CCCE NC[C@]12C[C@H]1CN(S(=O)(=O)Cc1ccc(N)cc1)C2 2272651851 GYNMXPQRNFNFDU-AAEUAGOBSA-N 281.381 0.379 10 10 CCCE C[C@H]1[C@@H](O)CCN1c1ccc2c(c1)N(C)C(=O)[C@H]2N 2273222298 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NCC1CC2(C1)CC(NC(=O)c1cc(O)nc(O)c1)C2 2164508190 PAZWPBYPFKOHMF-UHFFFAOYSA-N 277.324 0.740 10 10 CCCE CN(C(=O)c1cc(O)cs1)[C@@H]1CCN2CCO[C@H]1C2 854684838 GASCRIIUMIERAP-MNOVXSKESA-N 282.365 0.999 10 10 CCCE N=c1[nH][nH]cc1CNC(=O)CCc1ccc(N)cc1 1876519485 OOOMKTGHXBUOAI-UHFFFAOYSA-N 259.313 0.653 10 10 CCCE C[C@@H]1CN(S(=O)(=O)Cc2ccc(N)cc2)CC[C@H]1N 1876538885 TWQHDXKWCXCTSX-ZWNOBZJWSA-N 283.397 0.768 10 10 CCCE Nc1ccc(OCCC(=O)NC[C@@H]2CCNC2)cc1 1876526060 VEDWQYDISUZNJI-LLVKDONJSA-N 263.341 0.763 10 10 CCCE N[C@]1(c2nc(-c3ccc(O)c(O)c3)no2)C[C@H](O)C1 1878977374 VLLGFKQLSFOYPQ-OGXFKERWSA-N 263.253 0.457 10 10 CCCE CC[C@@H]1N(C(=O)OC(C)(C)C)C[C@@]1(O)C(=O)C(C)=O 1881380687 XAKJYBKXDZDOTF-ZANVPECISA-N 271.313 0.905 10 10 CCCE COC(=O)[C@H](C)NC(=O)COc1ccc(N)cc1 49351511 RWYLEOOUDUHFOZ-QMMMGPOBSA-N 252.270 0.325 10 10 CCCE COCC[C@@H](CO)NC(=O)Cc1ccc(O)c(O)c1 1568104847 PLDKTBTVXUTKKT-JTQLQIEISA-N 269.297 0.154 10 10 CCCE CN1CC[C@](O)(CNCc2cccc(O)c2O)C1 702571565 ABAYXDBDMAXMBW-ZDUSSCGKSA-N 252.314 0.254 10 10 CCCE COC(=O)CN(C)CC(=O)Nc1ccc(N)cc1 692331213 MPHMJFBRTWFPEV-UHFFFAOYSA-N 251.286 0.312 10 10 CCCE CCCS(=O)(=O)N(C)Nc1nc(CO)cs1 1901338801 CPLMJDQPFNSEPD-UHFFFAOYSA-N 265.360 0.634 10 10 CCCE O=C(c1cccc(O)c1O)N1CC(C2CS(=O)(=O)C2)C1 1298242886 GXRQJPVLTHQUDF-UHFFFAOYSA-N 297.332 0.214 10 10 CCCE CS(=O)(=O)C1(C(=O)NCc2cc(O)ccc2O)CCC1 1558175317 LUEQZWMAROUGIL-UHFFFAOYSA-N 299.348 0.681 10 10 CCCE C[C@H](C(=O)NCc1ccc(O)cc1O)S(C)(=O)=O 1570462345 PSQHTVKLJTVFHX-SSDOTTSWSA-N 273.310 0.147 10 10 CCCE O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1C[C@H](O)[C@H](O)C1 1644988778 HBZUSXLVDNNSPJ-VONGKUQRSA-N 279.292 0.111 10 10 CCCE O=C(N[C@@H]1CO[C@H]2C[C@@H]1C2)c1cc(O)c(O)c(O)c1 2132400255 LPEMDIOWNWKNGG-BWVDBABLSA-N 265.265 0.711 10 10 CCCE C[C@H]1COC[C@H]1N(C)C(=O)c1cc(O)c(O)c(O)c1 2132351739 ZPHZCROCBDNIBM-IONNQARKSA-N 267.281 0.910 10 10 CCCE NCc1ccc(N2C[C@H]3COC[C@@H](C2)[C@H]3O)c(F)c1 2132547216 IKQSHOJEFZCPPW-GNXNZQSNSA-N 266.316 0.728 10 10 CCCE [N-]=[N+]=NC1CN(CCn2nc3ccccn3c2=O)C1 1912195656 GRNLQXDJAADKOD-UHFFFAOYSA-N 259.273 0.491 10 10 CCCE Nc1ccc(OCCCn2cc(F)c(=O)[nH]c2=O)cc1 110523793 VFFRMRRPFZBWKS-UHFFFAOYSA-N 279.271 0.727 10 10 CCCE CS(=O)(=O)Cn1c(O)nnc1Cc1ccc(N)cc1 2138362078 HVDSXTDARZFAMX-UHFFFAOYSA-N 282.325 0.159 10 10 CCCE NC[C@@H](C[C@@H]1CCCO1)NC(=O)c1cccc(O)c1O 1926713336 TWEUBTRIPKKSOK-ZJUUUORDSA-N 280.324 0.724 10 10 CCCE C[C@@H](N)c1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CO)cc1Cl 2136340485 XGLGDCVECOILQQ-HPXOCHMKSA-N 286.759 0.262 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1C[C@H]2CC[C@H]1N2 1972446789 VPNHOWZPABJYTJ-QJPTWQEYSA-N 276.336 0.897 10 10 CCCE C[C@@H]1OCCO[C@H]1CN(C)C(=O)c1ccc(O)c(O)c1 2143691099 IFQLTXJAXPEKSK-ZANVPECISA-N 281.308 0.974 10 10 CCCE CCO[C@@H]1C[C@@H](N)[C@H]1NC(=O)Cc1ccc(O)c(O)c1 2144017470 BKVKKNRIWHDKFK-GAJTVXKRSA-N 280.324 0.261 10 10 CCCE Nc1ccc(CC(=O)NC[C@H]2CCCCNC2=O)cc1 2144023718 LECXNEIWGGPOPH-GFCCVEGCSA-N 275.352 0.844 10 10 CCCE NC(=O)Cn1cc(NCc2ccc(O)cc2O)cn1 36998479 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NC(=O)CN1CCN(c2ccc3c(c2)CC[C@H]3N)CC1 2184727082 NKAHEWAIWCZELA-CQSZACIVSA-N 274.368 0.240 10 10 CCCE CC[C@H](N)CN(CC)C(=O)c1cc(O)nc(O)c1 2053090171 ZJWUPPCQVYMLMH-VIFPVBQESA-N 253.302 0.692 10 10 CCCE O=C(O)C[C@@H]1CN(Cc2ccccc2O)C[C@H]1O 2054033259 UVWIURRHVUBAAQ-ZYHUDNBSSA-N 251.282 0.660 10 10 CCCE Nc1ccc(NC(=O)CN2C[C@H]3C[C@@H](O)C[C@H]3C2)cc1 2185083329 OTIJWKKJKSMVGR-GNXNZQSNSA-N 275.352 0.910 10 10 CCCE CO[C@@H]1CN([C@@H](C)c2ccc(O)cc2O)C[C@H]1N 2058774352 DJIDFWDGEDKAHA-RLCGTCKNSA-N 252.314 0.817 10 10 CCCE NC[C@@H]1C[C@@H](O)CN1Cc1cc(F)cc(F)c1O 2060808303 VQVHSXRZTGQCLB-VHSXEESVSA-N 258.268 0.564 10 10 CCCE CO[C@H]1C[C@H]1CNS(=O)(=O)Cc1ccc(N)cc1 2067897394 CKSWOVSXRXJUGW-JQWIXIFHSA-N 270.354 0.723 10 10 CCCE C[C@H]1CNC[C@H]1NS(=O)(=O)Cc1ccc(N)cc1 2071668080 TWWMMEABVKHHDF-JOYOIKCWSA-N 269.370 0.296 10 10 CCCE OC[C@@H]1CNCCN1c1ccc2c(c1)OC(F)(F)O2 2106378537 VVERQPYNBDEHPV-VIFPVBQESA-N 272.251 0.779 10 10 CCCE CN(C)c1ccc([C@@H](NN)[C@@H]2CCS(=O)(=O)C2)cc1 2106850259 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Cc1cc(CO)ccc1N1CC[C@H](NS(C)(=O)=O)C1 702982748 AFGLQKRQVSCATG-LBPRGKRZSA-N 284.381 0.615 10 10 CCCE COc1ccc([C@H](C)N[C@@H]2CCC(=O)NC2=O)c(O)c1 89751424 JIGMFWOYEGPKPU-GZMMTYOYSA-N 278.308 0.857 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NCCCC1=NNC(=O)C1 1450667130 QKOJRXRKJGBEJJ-UHFFFAOYSA-N 291.307 0.413 10 10 CCCE Cc1nc(=N)[nH]c(=NCCOc2ccc(N)cc2)[nH]1 2117267420 QNQNMCPBSFMQMV-UHFFFAOYSA-N 260.301 0.088 10 10 CCCE Nc1ccc(CNC[C@@H]2C[C@H]3C[C@H]2[C@H](O)[C@@H]3O)cc1 2117789297 JNBQLYMGLBWMGQ-ADNNSEGNSA-N 262.353 0.736 10 10 CCCE C[C@H]1CNC[C@H](CO)N1c1ccc2c(c1)OCO2 214567911 ABPLTSJCMXKEII-GXSJLCMTSA-N 250.298 0.574 10 10 CCCE COc1ccc(N2[C@@H](C)CNC[C@@H]2CO)c(OC)c1 217179385 IQASBFFCUIVMNE-WDEREUQCSA-N 266.341 0.863 10 10 CCCE O=C(NC1CC([C@@H](F)CO)C1)c1ccc(O)c(O)c1 1906432960 ATLYZJRZSLFIPW-RTBKNWGFSA-N 269.272 0.937 10 10 CCCE COc1ccc(N2C[C@H](N)[C@H](OC)C2)c([N+](=O)[O-])c1 2122654691 LSJGHVLPCISYLE-JOYOIKCWSA-N 267.285 0.766 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN1C(=O)C1[C@H]2CS(=O)(=O)C[C@H]12 2123021088 YOGBNCJYLBBDHW-VGMNWLOBSA-N 284.341 0.578 10 10 CCCE O=C(NCc1ccc(O)c(O)c1)c1ccc2c(c1)COB2O 1631439134 WNYFUEOLJXENQL-UHFFFAOYSA-N 299.091 0.246 10 10 CCCE C[C@H](O)[C@H]1CCN1c1ccc2c(c1)N(C)C(=O)[C@H]2O 2125807977 DVSSDZIZOMJPJU-KDDOJWQBSA-N 262.309 0.656 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 161967565 VFKWVTQVSKKXIC-DEKYYXRVSA-N 292.335 0.404 10 10 CCCE O=C(O)CCS(=O)(=O)NCc1ccccc1O 158701529 RWCKIOWJECDJIE-UHFFFAOYSA-N 259.283 0.286 10 10 CCCE C[C@]1(CO)C(=O)NN(c2ccc(Cl)cc2)C1=O 207387740 BZIMAUQERWTIOA-NSHDSACASA-N 254.673 0.716 10 10 CCCE CN(CCOCCOCCO)Cc1ccc(N)cc1 2127844315 UWBQEOISZPGVJA-UHFFFAOYSA-N 268.357 0.726 10 10 CCCE O=C(NCCc1ccon1)c1cc(O)c(O)c(O)c1 2132414661 ZEXIXUVOVXYLCT-UHFFFAOYSA-N 264.237 0.764 10 10 CCCE Nc1ccc(-n2nnc(C(=O)N3CCCCC3)n2)cc1 1857878533 GFCMWVXPPDGJPH-UHFFFAOYSA-N 272.312 0.871 10 10 CCCE COC[C@H](C)S(=O)(=O)N1CC[C@@H](CN=[N+]=[N-])C1 1912189748 YGKQKIZFDMYQDV-IUCAKERBSA-N 262.335 0.983 10 10 CCCE CN(CC1(CN)CC1)C(=O)c1ccc(O)c(O)c1 1915542993 NHRUOKCZESCYDZ-UHFFFAOYSA-N 250.298 0.909 10 10 CCCE CC(C)(C)S(=O)(=O)N(CC(N)=O)Cc1ccc(N)cc1 111071549 FRTNTRKMJAJMCX-UHFFFAOYSA-N 299.396 0.684 10 10 CCCE O=C(c1cccc(O)c1O)N(C1CNC1)[C@@H]1CCOC1 2143783969 JQDNMWGHTUCMGF-SECBINFHSA-N 278.308 0.301 10 10 CCCE COC(=O)C[C@H](N)c1cc2c(c(F)c1O)OCCO2 260751455 RVFXOFLITNVQCF-ZETCQYMHSA-N 271.244 0.865 10 10 CCCE C[C@H]1CN(C(=O)[C@@H](N)Cc2ccc(O)c(O)c2)CCO1 40457874 IEBCIESJYAPWFX-ONGXEEELSA-N 280.324 0.215 10 10 CCCE C[C@H](c1cc(O)ccc1O)N1C[C@H](N)C[C@@H](C(N)=O)C1 2151021425 KIYNNBQRXGVYOX-OPRDCNLKSA-N 279.340 0.293 10 10 CCCE CCNC(=O)[C@@H](C)OC(=O)COc1ccc(N)cc1 41093747 KZOYKZHJBQWEMC-SECBINFHSA-N 266.297 0.715 10 10 CCCE O=C(N[C@@]1(C(F)(F)F)CCNC1)c1cc(O)nc(O)c1 2159811513 SHPBGYQDRRMOAZ-JTQLQIEISA-N 291.229 0.517 10 10 CCCE COC[C@@]1(O)CCN(CC(=O)c2ccc(O)c(O)c2)C1 2151870054 MPJSPVNEXZOKEZ-CQSZACIVSA-N 281.308 0.364 10 10 CCCE CN(CCN1CCC[C@@H]1CN=[N+]=[N-])S(C)(=O)=O 2009445380 OBNACMPLXLYKLN-SECBINFHSA-N 261.351 0.653 10 10 CCCE CN1CCO[C@H]2CN(CCOc3ccc(N)cc3)C[C@@H]21 2153994568 DNDPDMUPGRCFON-GJZGRUSLSA-N 277.368 0.662 10 10 CCCE C[C@H](CCN)NS(=O)(=O)Cc1ccc(N)cc1 2016966291 MKJDEAHNWQSCTK-SECBINFHSA-N 257.359 0.426 10 10 CCCE C[C@H]1OCCO[C@H]1C(=O)NCc1ccccc1O 2027173308 CMWHWDPJMWRUFC-BXKDBHETSA-N 251.282 0.812 10 10 CCCE COCC[C@@H](CO)NC(=O)COc1ccc(N)cc1 311287898 NOJCACSOKXJNOE-NSHDSACASA-N 268.313 0.161 10 10 CCCE C[C@H](O)CN(CCO)C(=O)CCOc1ccc(N)cc1 313374157 QIKWAFUQLUPHEM-NSHDSACASA-N 282.340 0.239 10 10 CCCE O=[N+]([O-])c1cc(CO)ccc1N1CC(n2ccnn2)C1 2170188933 QSLCQCVNQOADEL-UHFFFAOYSA-N 275.268 0.740 10 10 CCCE COC(=O)N(C)CCNC(=O)COc1ccc(N)cc1 689524450 HIIQBJCEBWFHAU-UHFFFAOYSA-N 281.312 0.462 10 10 CCCE CCO[C@H]1CNC[C@@H]1C(=O)N(C)Cc1ccccc1O 690069158 KBLLOZMPWFSEFQ-JSGCOSHPSA-N 278.352 0.975 10 10 CCCE CN[C@H]1CCC[C@@H]1NC(=O)c1cc(O)nc(O)c1 721634655 UZCUDOJEQXXJLX-IUCAKERBSA-N 251.286 0.363 10 10 CCCE COc1cccc(CNC2CC(C(N)=O)C2)c1O 716731336 LNJOFRXMCVZHCO-UHFFFAOYSA-N 250.298 0.754 10 10 CCCE NC(=O)C[S@@](=O)CCCC(=O)Nc1ccc(N)cc1 388832961 VTHZABUGOTZSQT-IBGZPJMESA-N 283.353 0.222 10 10 CCCE CN1CCc2cc(CNCc3nnnn3C)ccc21 389315495 YVJBNFOTEMPAQX-UHFFFAOYSA-N 258.329 0.492 10 10 CCCE O=C1Nc2cc(N3C[C@@H]4C[C@H](C[C@@H]4O)C3)ccc2[C@@H]1O 2163564820 OVLHVPKSIHYDRV-GHSKTYPESA-N 274.320 0.879 10 10 CCCE CC(C)(O)[C@H]1CN(C(=O)c2cccc(O)c2O)CCO1 2174142245 VPKNGLBWCMFCQX-LLVKDONJSA-N 281.308 0.710 10 10 CCCE CN(C)c1ccc(CNC(=O)C[C@@H]2CNC[C@@H]2O)cc1 2174332939 QTWDXGPOFUCLRT-OCCSQVGLSA-N 277.368 0.339 10 10 CCCE CN1CCc2cc([C@@H](N)[C@@H]3[C@@H]4CS(=O)(=O)C[C@@H]43)ccc21 2174573863 PQPWHDVDKFKDGE-AYRXBEOTSA-N 292.404 0.969 10 10 CCCE CCN1C[C@H]2C[C@H]1CN2S(=O)(=O)Cc1ccc(N)cc1 2187561427 XOVBVEBBOOQRHU-UONOGXRCSA-N 295.408 0.877 10 10 CCCE CN(Cc1ccccc1O)C[C@@H](O)CN1CCNCC1 2192596099 NKKLAXGMHCSKRT-CQSZACIVSA-N 279.384 0.090 10 10 CCCE CCNCc1ccc(N2C[C@@H](O)C[C@H](O)C2)cc1 2043132339 PXLSKNYPRXMCAC-KBPBESRZSA-N 250.342 0.728 10 10 CCCE [N-]=[N+]=NCCCN[C@H](C(N)=O)[C@H]1C[C@H]2CC[C@H]1O2 2049160980 ZUPCLYUYBTYSLC-RGOKHQFPSA-N 253.306 0.698 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CC(O)(C(F)F)C1 2052061916 FTFXQFSZBJRCKY-UHFFFAOYSA-N 259.208 0.550 10 10 CCCE Cc1cccc(CN[C@H]2CCO[C@@H]2C(N)=O)c1O 2053780646 QXNQHDSPPKFUBU-JQWIXIFHSA-N 250.298 0.433 10 10 CCCE CO[C@H]1COC[C@@H]1NC(=O)Cc1ccc(N)cc1 2057135731 VLWFURDYSHLZNI-RYUDHWBXSA-N 250.298 0.341 10 10 CCCE O=C1CC[C@H]1CS(=O)(=O)NCc1ccccc1O 2057996485 DWGJEIJTNFFYET-JTQLQIEISA-N 269.322 0.791 10 10 CCCE N[C@H]1CN(Cc2ccc(O)c(O)c2)CC[C@H]1CO 2058508505 DGEMKYNZXSIQJF-QWRGUYRKSA-N 252.314 0.239 10 10 CCCE CN(C[C@@H]1CCN1C)c1cc2c(cc1N)OCC(=O)N2 2186449701 BQZHKLJHPJIJAQ-VIFPVBQESA-N 276.340 0.740 10 10 CCCE Nc1ccc(CS(=O)(=O)NCC2(N)CCC2)cc1 2071663995 MRPRPEQKSPRXOK-UHFFFAOYSA-N 269.370 0.570 10 10 CCCE NC(=O)NCC1CN(c2cc3c(cc2N)OCCO3)C1 2187288527 LLBMMLKNZJUBCF-UHFFFAOYSA-N 278.312 0.145 10 10 CCCE Cc1cccc(O)c1CN1C[C@H](O)C[C@@H]1C(=O)O 2080573744 JSPRTGNPKUKJKG-MWLCHTKSSA-N 251.282 0.720 10 10 CCCE Nc1ccc(CC(=O)NC[C@H]2CCC(=O)NC2)cc1 2103041024 JTXNCBKXCGEWMK-NSHDSACASA-N 261.325 0.454 10 10 CCCE C[C@H](CNCc1ccc2c(c1)CCCO2)S(N)(=O)=O 2087536282 QLYCISICEPBNNM-SNVBAGLBSA-N 284.381 0.778 10 10 CCCE NC(=O)[C@@H]1CC[C@H](NCc2ccc(O)c(O)c2O)C1 2090010247 MEXAXJCNZVEEGG-APPZFPTMSA-N 266.297 0.547 10 10 CCCE CS(=O)(=O)C1([C@@H](O)[C@H](N)c2ccccc2O)CCC1 2110401553 GIAVLXMCNVXZGH-NEPJUHHUSA-N 285.365 0.720 10 10 CCCE COc1cc(N)c(N2CC(OCCO)C2)cc1OC 2095967598 HBGIZQCZMJOXEF-UHFFFAOYSA-N 268.313 0.484 10 10 CCCE Cc1cccc(CNC(=O)[C@@H]2CO[C@H]3CNC[C@@H]23)c1O 2204612503 YONAPBYXXNZCLM-XQQFMLRXSA-N 276.336 0.551 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N3C[C@H](O)C[C@@H](F)C3)ccc21 2234668970 JTCWHPRVWSLIHL-ZDSQKVDBSA-N 279.315 0.808 10 10 CCCE CCCN[C@H](COc1ccc(N(C)C)cc1)C(N)=O 2229372270 YDRVMAYRTHAFGA-CYBMUJFWSA-N 265.357 0.985 10 10 CCCE CCC[C@@]1(NC(=O)c2cccc(O)c2O)CCNC1=O 2289941089 UCOPTKQRCREHAQ-CQSZACIVSA-N 278.308 0.886 10 10 CCCE C[C@]1(CO)C=CCCN1C(=O)c1cc(O)nc(O)c1 2264388511 WKBMNMFDTLZLKR-CYBMUJFWSA-N 264.281 0.646 10 10 CCCE COc1ccc(N2CCC[C@@H]3CNC(=O)[C@@H]32)c(N)c1 2264553335 OEUOVSHDKFJGDW-NOZJJQNGSA-N 261.325 0.992 10 10 CCCE Nc1ccc(CC(=O)N2CCC[C@H]3CNC(=O)[C@@H]32)cc1 2279215618 INDBHEHHUANZQW-SMDDNHRTSA-N 273.336 0.548 10 10 CCCE O=C(NC1CC([C@@H]2CCNC2)C1)c1cc(O)nc(O)c1 2280162956 RMACRFPCABRXJO-FKTRJACZSA-N 277.324 0.611 10 10 CCCE O=C(N[C@]12CO[C@](C(=O)O)(C1)C2)c1cccc(O)c1O 2280676184 BUSRRCLUIQBYBD-JOCQHMNTSA-N 279.248 0.214 10 10 CCCE Cc1cc(=NC=C2C(=O)NC(=O)N(C(C)C)C2=O)[nH]o1 2296571287 UPVKEFDCJFNNNX-UHFFFAOYSA-N 278.268 0.188 10 10 CCCE CCN(CCN=[N+]=[N-])CCS(=O)(=O)CCOC 2300526096 ODNAZSJUUDTZAY-UHFFFAOYSA-N 264.351 0.680 10 10 CCCE O=S(=O)(CCO)CCNCc1ccc(F)cc1O 2314180907 LBKUCHNDNFFQTG-UHFFFAOYSA-N 277.317 0.028 10 10 CCCE COC(=O)c1csc(NN(C)S(=O)(=O)C(C)C)n1 2317485949 HHYLKDAFLCFFNL-UHFFFAOYSA-N 293.370 0.927 10 10 CCCE CNCc1ccc(N2C[C@@H]3C[C@H]2[C@@H](O)[C@H]3O)cc1Cl 2329325862 JWNUAECDRKGSJT-NZPIUUIZSA-N 282.771 0.990 10 10 CCCE N[C@@]1(C(=O)C(=O)C[C@H]2C[C@H](N)C2)C[C@@H]2OCCC[C@@H]21 2334727969 PQCJNFDMGZOBMK-FCBYJXJISA-N 266.341 0.148 10 10 CCCE Cc1cccc(O)c1CN1CCNC[C@@H]1CC(N)=O 2343296922 FCKRTHRZOKAACA-NSHDSACASA-N 263.341 0.350 10 10 CCCE Nc1ccc(CCC(=O)NCC[C@H](O)CCO)cc1 2351739240 FRWWOROQJDLUKU-ZDUSSCGKSA-N 266.341 0.451 10 10 CCCE C[C@H](N)c1ccc(N2C[C@@H]3C[C@H]2[C@H](O)[C@H](O)C3)cc1O 2355336980 XEBONLPBMDZBOY-YBYFASJGSA-N 278.352 0.732 10 10 CCCE NS(=O)(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 102713395 PFUWYTKOOIGZJE-LLVKDONJSA-N 286.353 0.577 10 10 CCCE COc1ccc(CN2CCN(C)[C@H](CCO)C2)c(O)c1 104359100 UZWSPRJECGKXOB-CYBMUJFWSA-N 280.368 0.899 10 10 CCCE CO[C@@]1(CNCc2ccc(O)cc2O)CCOC1 122897704 DBTLLEYSEINKFL-CYBMUJFWSA-N 253.298 0.993 10 10 CCCE CC(C)N(CC(=O)O)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 40483444 NOSRQFVSULRFOB-JTQLQIEISA-N 296.323 0.289 10 10 CCCE NC(=O)[C@@H](O)CNCc1cc(Br)ccc1O 228592060 GWWSTZYLHDCCMO-VIFPVBQESA-N 289.129 0.091 10 10 CCCE C[C@]1(C(N)=O)CCN(c2ccc3c(c2)NC(=O)[C@@H]3N)C1 723150796 OGXOCJUSAVVVMW-RISCZKNCSA-N 274.324 0.340 10 10 CCCE CNCc1cc(F)c(N2C[C@@H](O)[C@H](OC)C2)c(F)c1 395953552 GXSPLTDEGYDLEF-VXGBXAGGSA-N 272.295 0.880 10 10 CCCE COc1cccc(CN2CCN(CCO)C[C@H]2C)c1O 825338650 SKXYPKFLUHPLAS-GFCCVEGCSA-N 280.368 0.899 10 10 CCCE CN1C(=O)C(=Cc2cn(C3CCC3)nn2)C(=O)N(C)C1=O 849240462 OLFVPRTVQASLIB-UHFFFAOYSA-N 289.295 0.437 10 10 CCCE CCN1CC[C@H](NC(=O)NCc2c(O)cccc2F)C1=O 922381767 AJNVECNRHZFRQH-NSHDSACASA-N 295.314 0.951 10 10 CCCE CCc1nc(O)c(C(=O)OCC(=O)C(C)=O)cc1C 924131118 DBLCKDQYXNPKBV-UHFFFAOYSA-N 265.265 0.973 10 10 CCCE COCCNCc1ccc(N2CC([N+](=O)[O-])C2)cc1 1876150088 RCJXVUDXBATKLN-UHFFFAOYSA-N 265.313 0.888 10 10 CCCE NC(=O)N1CC(CNCc2cccc(F)c2O)C1 1875453923 NVTDNCRYEHTPKF-UHFFFAOYSA-N 253.277 0.631 10 10 CCCE NC[C@@H]1C[C@H](F)CN1c1cc2c(cc1N)OCCO2 1876223781 PKURJGDNRIXYSH-IUCAKERBSA-N 267.304 0.916 10 10 CCCE CN(C[C@H]1CCCN1)C(=O)COc1ccc(N)cc1 1876442397 LKSGFZXJSKCBET-GFCCVEGCSA-N 263.341 0.858 10 10 CCCE CN(C)c1ccc(CN2C[C@H](O)C[C@H]2C(N)=O)cc1F 895369030 ZRINEUPIYZSVLM-MFKMUULPSA-N 281.331 0.312 10 10 CCCE Cc1cc(O)c(CN2CC(O)(c3ncnn3C)C2)cc1C 895620295 AZGHSLZUGXZBTN-UHFFFAOYSA-N 288.351 0.841 10 10 CCCE CC(C)(C)OC(=O)NC1(C(N)=O)CN(CCCN=[N+]=[N-])C1 1957243885 IXBBVKHMSXOFHE-UHFFFAOYSA-N 298.347 0.751 10 10 CCCE Cc1nc([C@@H](C)NC(=O)Cc2ccc(O)c(O)c2)n[nH]1 1157045432 RXJCGAJIKGGTIG-SSDOTTSWSA-N 276.296 0.944 10 10 CCCE O=C(CCN1CCCC1=O)NCc1c(O)cccc1O 1156880866 FHDKCCVBSKCFFF-UHFFFAOYSA-N 278.308 0.727 10 10 CCCE CCn1nnnc1CN(C)Cc1cc(N)ccc1O 1885606905 IIINQALEOYBWKI-UHFFFAOYSA-N 262.317 0.613 10 10 CCCE N[C@@H](C(=O)NC[C@@H]1CCCO1)c1cccc(F)c1O 83497076 NRACIXZWZURGEJ-GZMMTYOYSA-N 268.288 0.826 10 10 CCCE Nc1ccc(OC[C@H](O)CN2CC3(CCCO3)C2)cc1 702911949 HZJZZZWJIZFCSJ-CYBMUJFWSA-N 278.352 0.873 10 10 CCCE CO[C@@H]1CN(C(=O)c2ccc(O)c(O)c2)[C@@](C)(CN)C1 708943143 AVCXKCDAEXDFDS-IINYFYTJSA-N 280.324 0.676 10 10 CCCE CCN1CC[C@H](Nc2c(N)cccc2C(=O)O)C1=O 709119444 HTHAIWCRQLTPJH-JTQLQIEISA-N 263.297 1.000 10 10 CCCE Nc1ccc(NC(=O)C2(n3cnnn3)CCOCC2)cc1 1327458157 VRCUXXMYYQHWSR-UHFFFAOYSA-N 288.311 0.400 10 10 CCCE CCNC1CC(NC(=O)c2ccc(O)c(O)c2)C1 716993760 IDOOOQWPEHSRAC-UHFFFAOYSA-N 250.298 0.968 10 10 CCCE Nc1ccc(CC(=O)N[C@H]2C=C[C@H](C(=O)O)C2)cc1 92180698 ZUEGPICIDFZCLY-JQWIXIFHSA-N 260.293 0.957 10 10 CCCE O=C(O[C@H]1C=CCOC1)c1cc(O)c(O)c(O)c1 2257883123 IIDSYDLYKSMIMZ-QMMMGPOBSA-N 252.222 0.915 10 10 CCCE C[C@@H](NC(=O)Cn1ccc(O)nc1=O)c1ccccc1O 1454797077 NJRWHMVYBBYLNQ-SECBINFHSA-N 289.291 0.532 10 10 CCCE Oc1ccc(O)c(CNc2nccn3nnnc23)c1 1458569229 AXNYVURNCAAHHI-UHFFFAOYSA-N 258.241 0.543 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CCO[C@@H](CF)C2)cc1 2115412071 GSETYYCYUBMMPZ-LBPRGKRZSA-N 288.344 0.769 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3CCO[C@@H](CF)C3)ccc21 2115423261 PFRICHXABLSVTH-JOYOIKCWSA-N 265.288 0.813 10 10 CCCE O=C(O)[C@@H](F)C1(O)CN(Cc2ccc(O)c(O)c2)C1 2115649433 GLYRHIZTGCUWGO-SNVBAGLBSA-N 271.244 0.067 10 10 CCCE C[C@@H](O)[C@@H]1CN(C(=O)Nc2ccc(N)cc2)CCO1 2117522885 UUZGMEBXCOATDS-SKDRFNHKSA-N 265.313 0.882 10 10 CCCE Nc1ccc(OCCC(=O)NC[C@@H]2C[C@H]2CO)cc1 2117658893 XGJIHQJLFBKOKW-QWRGUYRKSA-N 264.325 0.782 10 10 CCCE CC(=O)N[C@@H](C)CN[C@H](C(=O)O)c1cc(C)ccc1O 211727448 PROFZLRMEDGYQY-ZANVPECISA-N 280.324 0.941 10 10 CCCE O=S1(=O)CC2(CN1)CN(c1ccc(CO)cc1F)C2 2119564544 LLLBYSRAGNSVSI-UHFFFAOYSA-N 286.328 0.057 10 10 CCCE COc1ccc(N2CC(=O)NC[C@@H](C(=O)O)C2)cc1 217065514 HNFQLTSCMSGALM-SECBINFHSA-N 264.281 0.332 10 10 CCCE CN(Cc1ncn(C)n1)C(=O)c1cccc(O)c1O 2121843668 DVWOQRLIZLHTLL-UHFFFAOYSA-N 262.269 0.499 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@H]2C[C@@H]3C[C@@H](N)[C@@H]3C2)cc1 2201995420 FYEGNNWAGQXCGS-FMKGYKFTSA-N 295.408 0.814 10 10 CCCE CC[C@]1(NCc2ccc(N)cc2)CCC(=O)NC1=O 2126129667 UXOLGXZWFBOTST-AWEZNQCLSA-N 261.325 0.944 10 10 CCCE C[C@@H]1CN(c2ccc3c(c2)OCO3)C[C@](C)(O)CN1 251786452 WRUCJLLLPMTQDK-QMTHXVAHSA-N 264.325 0.964 10 10 CCCE COC(=O)[C@@H](C)CS(=O)(=O)N1CC[C@@H](CN=[N+]=[N-])C1 2127234362 BZXYDUMKPZNXCS-IUCAKERBSA-N 290.345 0.758 10 10 CCCE NCc1ccc(N2CC3(C2)OC[C@H](O)[C@@H]3O)cc1Cl 2127250279 ICJBPGDETGOJJV-RYUDHWBXSA-N 284.743 0.110 10 10 CCCE N[C@H]1CCCc2cc(N3C[C@H](O)[C@@H](CO)C3)ccc21 2128273491 WSEBHHFBICQWGU-UGFHNGPFSA-N 262.353 0.812 10 10 CCCE C[C@@H](O)[C@H](N)CNC(=O)C=Cc1ccc(N(C)C)cc1 1911979565 ZLHOASXBBUYMFL-BXUZGUMPSA-N 277.368 0.590 10 10 CCCE COC(=O)CCS(=O)(=O)N1CCC(N=[N+]=[N-])CC1 1912158828 ZOVCDLNMIDIRPV-UHFFFAOYSA-N 276.318 0.654 10 10 CCCE Cn1cc(S(=O)(=O)N2CCC(N=[N+]=[N-])CC2)cn1 1912178015 JKYIWDLOAQHAQE-UHFFFAOYSA-N 270.318 0.884 10 10 CCCE CCOC(=O)NS(=O)(=O)N(C)CCN=[N+]=[N-] 1912145809 LMOUDDKHEJVSFT-UHFFFAOYSA-N 251.268 0.219 10 10 CCCE CC1(C(N)=O)CN(CC(=O)c2ccc(O)c(O)c2)C1 1914208142 VIKZRNKNNFIGJJ-UHFFFAOYSA-N 264.281 0.088 10 10 CCCE CNC(=O)[C@H](C)N(C)c1cc2c(cc1Cl)[C@H](N)C(=O)N2 1916821179 OKWRMWJHPJPNGA-KGFZYKRKSA-N 296.758 0.863 10 10 CCCE CN(C)c1ccc(CNC[C@H]2CCS(=O)(=O)N2C)cc1 1967748122 NYSPPKQXBRCELN-CQSZACIVSA-N 297.424 0.876 10 10 CCCE COc1cc(N2CC(=O)N[C@@H]3CC[C@@H]32)ccc1CO 2139683526 XRMYMKBKQFWKEP-NEPJUHHUSA-N 262.309 0.655 10 10 CCCE CCN(c1ccc2c(c1)N(C)C(=O)[C@@H]2O)C1CN(C)C1 2146886473 NHOFIHVTISUVCU-CQSZACIVSA-N 275.352 0.837 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@H]2CNC[C@@H]2C1 1972711156 PAQSGJIHELQMBS-NWDGAFQWSA-N 276.336 0.708 10 10 CCCE CCc1nc(C(=O)NCCc2ccc(O)c(O)c2)n[nH]1 2147998545 DLPHNSXUOKLEKO-UHFFFAOYSA-N 276.296 0.751 10 10 CCCE Cn1c(SC[C@@H](O)COc2ccc(N)cc2)n[nH]c1=O 61592399 JKSRBGCOJGJFHR-VIFPVBQESA-N 296.352 0.223 10 10 CCCE C[C@H](c1c(O)cccc1O)N1CCOC[C@@H]1CN 2035628477 IFSBLEMSLHNMDY-ZJUUUORDSA-N 252.314 0.818 10 10 CCCE CN(C)c1ccc(CNC[C@@H]2COC[C@H]2O)cc1 2036567425 HHZSHCOWKQRCQU-TZMCWYRMSA-N 250.342 0.850 10 10 CCCE COC[C@@](O)(CO)CN[C@H](C)c1ccccc1O 2040784245 YZGXKQUWQLGBJY-MFKMUULPSA-N 255.314 0.413 10 10 CCCE Cc1cccc(O)c1CNC1(C(N)=O)CCN(C)CC1 2160786662 BQOGLYAELKANAS-UHFFFAOYSA-N 277.368 0.740 10 10 CCCE CCOC[C@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)O 2157635612 PJQOOJCVCQNZKM-VIFPVBQESA-N 283.280 0.246 10 10 CCCE COc1ccc(N2CCN([C@@H]3COC[C@H]3O)CC2)cc1 312420767 YOAURIHYELCOGU-HUUCEWRRSA-N 278.352 0.577 10 10 CCCE CN(Cc1ccccc1O)C(=O)CCSCC(N)=O 701148972 OERJSLDXLWWLEW-UHFFFAOYSA-N 282.365 0.959 10 10 CCCE [N-]=[N+]=NCCCCNC(=O)[C@@H]1CC[C@@H](C(=O)O)O1 2218735033 KYQFUBQHJZXPCF-YUMQZZPRSA-N 256.262 0.825 10 10 CCCE O=C(CNCc1cccc(Cl)c1O)N1CCOCC1 388596942 BYXPUZYWXFDTMN-UHFFFAOYSA-N 284.743 0.994 10 10 CCCE C[C@@H]1NC(=O)CC[C@H]1NCc1ccc(O)cc1O 392903302 PTNSNYHNZDDBJJ-GZMMTYOYSA-N 250.298 0.855 10 10 CCCE CN(CCCO)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 394453062 KSWTXZJQQZTRDI-UHFFFAOYSA-N 281.268 0.744 10 10 CCCE CC(C)N(Cc1ccc(N)cc1)S(=O)(=O)c1nc[nH]n1 2179138143 ZXMPCFPIYDPXPV-UHFFFAOYSA-N 295.368 0.986 10 10 CCCE CNC(=O)c1cn(Cc2c(O)cccc2F)nc1O 2070608797 HZASHPNFOYYJOH-UHFFFAOYSA-N 265.244 0.841 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1[C@H]2CC[C@@H]1C[C@@H](O)C2 2188868628 URGIDYQUURZBQL-ILWJIGKKSA-N 279.292 0.931 10 10 CCCE C[C@H]1OCCO[C@H]1CNC(=O)c1cc(O)c(O)c(O)c1 2188913659 UNXSASBWZSEERJ-HQJQHLMTSA-N 283.280 0.337 10 10 CCCE COC(=O)c1cccc(N)c1N[C@H]1CCOC[C@@H]1CO 2193250333 CQQWMOPRZKBELG-CABZTGNLSA-N 280.324 0.865 10 10 CCCE C[C@H]1C(=O)NC(=O)CN1c1ccc2c(c1)CCC[C@@H]2O 2184688845 IKLJJBJGVGAGJL-ZANVPECISA-N 274.320 0.908 10 10 CCCE NCc1ccc(N2CCO[C@@H](CCO)C2)c(F)c1 2052688996 QPSDEJAPACNSCO-NSHDSACASA-N 254.305 0.872 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCN1CC(=O)N1CCOC1=O 2059059302 PWVUOVWKZMBQIZ-QMMMGPOBSA-N 253.262 0.740 10 10 CCCE CNC(=O)NC(=O)[C@@H](C)N1CCC[C@H]1CN=[N+]=[N-] 2059060127 URYRZZKLAVJEHA-SFYZADRCSA-N 254.294 0.605 10 10 CCCE Nc1ccc(OC[C@H](O)CN2CC[C@H]3COC[C@H]32)cc1 2198567331 CGNCJLMEKQWCBR-NJZAAPMLSA-N 278.352 0.729 10 10 CCCE C[C@H](C(=O)Nc1ccc(N)cc1)N1C[C@@H]2C[C@H]1CN2C 2187561066 VOJSALSIVUSOMI-SWHYSGLUSA-N 274.368 0.984 10 10 CCCE CN(Cc1ccccc1O)S(=O)(=O)C1CC(CO)C1 2101594351 WGKIHQFQBRLQIF-UHFFFAOYSA-N 285.365 0.925 10 10 CCCE C[C@@]1(O)CN(c2ccc(CO)cc2F)CC[C@@H]1O 2081768363 XCQBJQONVVADEI-QWHCGFSZSA-N 255.289 0.640 10 10 CCCE Nc1ccc(OCCNC(=O)C2(C(=O)O)CC2)cc1 2105967159 UYQIFDFKMNCJTR-UHFFFAOYSA-N 264.281 0.629 10 10 CCCE Cc1c(C(=O)N(C)Cc2ccc(N)cc2)nnn1C 2088381242 NWUKUVWFBCJRHM-UHFFFAOYSA-N 259.313 0.978 10 10 CCCE C[C@H](c1ccc(O)cc1O)N1CC(OCC(=O)O)C1 2088565443 ZBVMGESUOCDTOI-MRVPVSSYSA-N 267.281 0.944 10 10 CCCE NCc1cc(F)c(N2CC(=O)N[C@@H]3CC[C@H]32)c(F)c1 2112065139 HTFFFSCJUFZFHS-GHMZBOCLSA-N 267.279 0.891 10 10 CCCE COc1cc(N2CCN3C[C@@H](O)C[C@@H]3C2)ccc1CN 2204559437 PCSMLAWXSBNHSD-KGLIPLIRSA-N 277.368 0.409 10 10 CCCE CNC(=O)N1CCN(c2ccc(CO)c(OC)c2)CC1 2204546316 ABZIXLKNOZVRFZ-UHFFFAOYSA-N 279.340 0.649 10 10 CCCE N[C@H]1Cc2ccc(N3CCS(=O)(=O)CC3)cc2C1 2218703290 IUGKCVIINUGPMT-LBPRGKRZSA-N 266.366 0.347 10 10 CCCE O[C@@H]1C[C@@H](O)CN(c2ccc3c(c2)OCCO3)C1 2219599228 SJTPBNIGNILFRS-GHMZBOCLSA-N 251.282 0.390 10 10 CCCE COc1ccc(N2CC3(C2)OC[C@@H](O)[C@H]3O)c(OC)c1 2235124905 QSBSNEASDLXVHP-DGCLKSJQSA-N 281.308 0.015 10 10 CCCE COc1ccc(N(C)C[C@H](O)CN(C)C)c(C=O)c1 2227696576 OHVFTDWQWUVFTP-GFCCVEGCSA-N 266.341 0.866 10 10 CCCE CC1(C)C(=O)NC[C@H]1NCc1ccc(O)c(O)c1 2255122406 GZYCLWGAULFXPR-LLVKDONJSA-N 250.298 0.712 10 10 CCCE N=C(N)c1cnc(SCC(=O)NC2CC2)s1 2246259812 JZUZJEHDIOGXHZ-UHFFFAOYSA-N 256.356 0.798 10 10 CCCE Cc1cc(N2C[C@H](O)C[C@@H]2CO)ccc1[C@H](C)O 2257472289 XLGUBZAWHNAKEZ-CYZMBNFOSA-N 251.326 0.980 10 10 CCCE CCN[C@H](C)c1ccc(N2CC[C@H]2[C@@H](O)CO)cc1O 2286228109 OQOPEKZOICOEEI-DGFSRKRXSA-N 280.368 0.995 10 10 CCCE COc1cccc(CNCC2(O)CSC2)c1O 2248011512 JHFFWGGGUGTWGX-UHFFFAOYSA-N 255.339 0.968 10 10 CCCE CNCc1ccc(N2CC[C@H]2[C@@H](O)CO)c(F)c1 2258345928 NICZHNBYRMZFSE-STQMWFEESA-N 254.305 0.477 10 10 CCCE CNC[C@]1(O)CCCN(Cc2ccccc2O)C1 2258470285 CNSQADHDHGJKMQ-CQSZACIVSA-N 250.342 0.939 10 10 CCCE CO[C@@H]1CCN(CCNCc2cccc(O)c2O)C1 2267900668 QBJBEGDUOGSYCT-GFCCVEGCSA-N 266.341 0.908 10 10 CCCE OC[C@@H]1CO[C@@H]2CN(c3ccc(OCF)cc3)C[C@H]2O1 2295976410 ZCUDTYUJZALZQE-MGPQQGTHSA-N 283.299 0.957 10 10 CCCE COc1cc(OC)c(N2C[C@@H](O)C[C@@H](O)C2)cc1OC 2289448567 FOYZMQNREILZNC-AOOOYVTPSA-N 283.324 0.644 10 10 CCCE C[C@@H](N)c1ccc(N2C[C@H]3CS(=O)(=O)[C@H]3C2)cc1 2314885045 GBZCRVRRTGDKFG-CDMKHQONSA-N 266.366 0.940 10 10 CCCE CCN(CCN=[N+]=[N-])[C@H]1CC(CO)(CO)C[C@@H]1O 2315986779 IHIYPLWZAGQHBI-UWVGGRQHSA-N 258.322 0.113 10 10 CCCE CCS(=O)(=O)N(C)Nc1nc(CCC(=O)O)cs1 2317495747 UGLZKWDMYLBZKY-UHFFFAOYSA-N 293.370 0.769 10 10 CCCE CC(C)[C@H](CO)N(C)C(=O)c1cc(O)nc(O)c1 2318841280 QZVCOTVOIHZYHZ-VIFPVBQESA-N 254.286 0.582 10 10 CCCE CCNCc1ccc(N2C[C@@H]3C[C@H]2[C@H](O)[C@@H]3O)cc1 2329327016 VGYYOQCOSSKPNP-MHEUCROKSA-N 262.353 0.726 10 10 CCCE O=C(O)[C@H]1CO[C@@H]2CN(Cc3ccccc3O)C[C@@H]21 2329339147 WOGPDLMSAUUWQH-NTZNESFSSA-N 263.293 0.924 10 10 CCCE CS(=O)(=O)CCSCC(=O)Nc1ccc(N)cc1 111003886 UVSIPUMJHOPDLS-UHFFFAOYSA-N 288.394 0.985 10 10 CCCE COC(=O)[C@H](N)C(C)(C)c1cc(O)c(O)c(OC)c1 1952721087 CLHPWIMUYQKFFE-NSHDSACASA-N 269.297 0.884 10 10 CCCE C[C@@H](NC[C@]1(O)CCOC1)c1cc(O)ccc1O 227120053 QVOAHMRCDOLJCN-NOZJJQNGSA-N 253.298 0.900 10 10 CCCE CN(CC(=O)NC1CC1)c1ccc(CN)c(F)c1 135221290 JZNXRVMCNITDRG-UHFFFAOYSA-N 251.305 0.999 10 10 CCCE CNCc1ccc(N2CCN(C)C(=O)C2)c(F)c1 84205850 XQKZVVNCYVPMOA-UHFFFAOYSA-N 251.305 0.824 10 10 CCCE O=C(O)[C@@H]1CNCCN1Cc1cc(F)ccc1O 236446799 ZPIGZQVAGOYMJU-JTQLQIEISA-N 254.261 0.390 10 10 CCCE NC[C@H](N)c1cc(I)ccc1O 95769542 YHJHLNFCBRSMQQ-ZETCQYMHSA-N 278.093 0.955 10 10 CCCE CCS(=O)(=O)N(C)CC(=O)NCCc1ccc(N)cc1 237015302 FUJCARBEMHZGGD-UHFFFAOYSA-N 299.396 0.209 10 10 CCCE CC(=O)N(CCN)C(=S)Nc1ccc(N)cc1 242854613 GBQWOHCRCGKLGE-UHFFFAOYSA-N 252.343 0.773 10 10 CCCE NC(=O)[C@@H]1CNCCN1c1ccc2c(c1)OCCCO2 2162625534 SSWBEBINLGTEGB-NSHDSACASA-N 277.324 0.111 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N3CC(CC(N)=O)C3)ccc21 723183572 VVABOKGMWIGNNN-CYBMUJFWSA-N 274.324 0.211 10 10 CCCE O=S(=O)(CCN1CCNCC1)Nc1ccc(O)cc1 722212913 PMPMWWWSTQLMNG-UHFFFAOYSA-N 285.369 0.039 10 10 CCCE O=[S@]1C[C@@H]2C[C@H]1CN2Cc1cc2c(cc1O)OC[C@@H]2O 844747874 DGFVVFIBWHULBZ-HRZJWCRGSA-N 295.360 0.523 10 10 CCCE C[C@H](O)[C@@H](O)CNCc1ccc(N2CCN(C)CC2)cc1 865738859 KXKORXMRXPDGFT-BBRMVZONSA-N 293.411 0.270 10 10 CCCE CN[C@H]1CCN(c2cc3c(cc2N)NC(=O)CC3)C1 1876303487 ZDMLBLITVSPYCI-JTQLQIEISA-N 260.341 0.952 10 10 CCCE NC(=O)N=Nc1ccc(C(=O)NCCOCCO)cc1 1136172637 JNRKXXRIZKMSLW-UHFFFAOYSA-N 280.284 0.588 10 10 CCCE CN(C)c1ccc(CNC[C@@](C)(O)CO)cc1F 794748744 QQYXTLSWUAXRAF-CYBMUJFWSA-N 256.321 0.725 10 10 CCCE CCC[C@H](C(=O)N1Cc2cccc(O)c2C1)S(N)(=O)=O 1152574374 VBAVOSYOYURMRO-GFCCVEGCSA-N 298.364 0.692 10 10 CCCE CNCc1nnc([C@H](N)c2cc(O)ccc2O)o1 83382244 XWXYJZIRZJNKIF-SNVBAGLBSA-N 250.258 0.248 10 10 CCCE O=C1CC[C@@H]2[C@H]1[C@@H]2C(=O)NCc1c(O)cccc1O 1156885470 FWNHTEFIQXXZAH-KEMBBXRSSA-N 261.277 0.939 10 10 CCCE N[C@@H](C(=O)NC[C@H]1CCCO1)c1cccc(O)c1O 83483791 QADHWFUGDMAUIH-LDYMZIIASA-N 266.297 0.393 10 10 CCCE CC(C)[C@@H](NC(=O)c1cccc(O)c1O)C(=O)N(C)C 1962896122 WAELXPMCZKANIE-LLVKDONJSA-N 280.324 0.940 10 10 CCCE C[C@@H](O)CN(C[C@@H](O)COc1ccc(N)cc1)C1CC1 691405849 WTLBDVMEHLRZIN-BXUZGUMPSA-N 280.368 0.854 10 10 CCCE C[C@H](N[C@H]1CCO[C@H]1C(N)=O)c1c(O)cccc1O 2117463183 ODRXDLUKBODISK-YVZVNANGSA-N 266.297 0.391 10 10 CCCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)[C@@H]2[C@@H]3CS(=O)(=O)C[C@@H]32)C1 2117936460 PUXAXPDOJRNHMQ-DOLQZWNJSA-N 284.341 0.578 10 10 CCCE COc1cccc(CNC(=O)[C@H]2C[C@H]2C(N)=O)c1O 1545684481 YDKBYFMMPDQYAT-BDAKNGLRSA-N 264.281 0.138 10 10 CCCE COC(=O)c1nc(=NCc2c(O)cccc2O)cc[nH]1 1559287707 AVRODQDLLOXMRB-UHFFFAOYSA-N 275.264 0.708 10 10 CCCE CC(=O)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 169808192 XCMUINDGZBTSRP-UHFFFAOYSA-N 275.352 0.644 10 10 CCCE O[C@@H]1C[C@@H](O)CN(c2ccc3c(c2)CCC[C@H]3O)C1 2128278671 ZCHFAJMPFGYGJS-UMVBOHGHSA-N 263.337 0.988 10 10 CCCE OC[C@H](O)[C@H]1CCCN1c1ccc2c(c1)CC[C@@H]2O 2128320717 DQDDTXCJXOBLAT-ILXRZTDVSA-N 263.337 0.988 10 10 CCCE CN1C[C@@H]2C[C@H](C1)N2C(=O)COc1ccc(N)cc1 2131080089 ARNWLSWMFOVJCT-TXEJJXNPSA-N 261.325 0.563 10 10 CCCE CC(C)[C@@](C)(O)CNC(=O)c1cc(O)c(O)c(O)c1 2132348708 QXLZSWXSJUDMTK-ZDUSSCGKSA-N 269.297 0.940 10 10 CCCE CC[C@]1(NC(=O)c2cc(O)c(O)c(O)c2)CCNC1 2132400904 PZSUTPONKWEKGH-ZDUSSCGKSA-N 266.297 0.675 10 10 CCCE CNCC[C@@H](C)N(C)C(=O)c1cc(O)c(O)c(O)c1 2132413046 JMLKNWAMUHPZMA-MRVPVSSYSA-N 268.313 0.873 10 10 CCCE Oc1cccc(-c2nnc(N3CCNCC3)[nH]2)c1O 227274626 STQDUQRFHXKMHA-UHFFFAOYSA-N 261.285 0.293 10 10 CCCE Oc1ccc(CN[C@@H]2COC3(CCC3)[C@H]2O)c(O)c1 2141558136 QGFLDESLMXOPGU-YPMHNXCESA-N 265.309 0.870 10 10 CCCE C[C@]1(C(N)=O)CCN(CC(=O)c2ccc(O)c(O)c2)C1 235738934 HTEJKFPBOCXMIO-AWEZNQCLSA-N 278.308 0.478 10 10 CCCE Nc1ccc(CS(=O)(=O)NC[C@H](O)CF)cc1 1945126828 OHXILEVISAYBSN-SNVBAGLBSA-N 262.306 0.019 10 10 CCCE O=C(c1ccc(O)c(O)c1)N(CCO)C[C@H]1CCCN1 236510804 VIDLZNHWAPIZAU-LLVKDONJSA-N 280.324 0.284 10 10 CCCE Nc1ccc(CNC(=O)[C@@H]2CCCS(=O)(=O)C2)cc1 1968569611 BRSIYQQHEGKUFO-LLVKDONJSA-N 282.365 0.710 10 10 CCCE CNC(=O)OCCCNCc1cc2c(cc1O)OCO2 1973893051 FHVRBSNBVSBRBS-UHFFFAOYSA-N 282.296 0.957 10 10 CCCE Nc1ccc(CCC(=O)N[C@@H]2COC[C@H]2C(=O)O)cc1 158170278 ZZXYBVZKUABPCI-VXGBXAGGSA-N 278.308 0.417 10 10 CCCE Nc1ccc(CC(=O)N2CCN(C3CC3)C(=O)C2)cc1 261622901 ALILUYOHEUOROA-UHFFFAOYSA-N 273.336 0.645 10 10 CCCE C[C@@H](O)[C@H]1CCN(S(=O)(=O)Cc2ccc(N)cc2)C1 161510452 AIAYNRBFLGRPKP-PWSUYJOCSA-N 284.381 0.801 10 10 CCCE Nc1ccc(OCCC(=O)N2CCS(=O)(=O)CC2)cc1 40304943 KJEOJTGYTOMMJC-UHFFFAOYSA-N 298.364 0.295 10 10 CCCE CN[C@H](C)[C@H](C)NC(=O)Cc1ccc(O)c(O)c1 2027481333 MUVYNILJYHMOIF-BDAKNGLRSA-N 252.314 0.753 10 10 CCCE Nc1ccc(CN2CCCCC2(CO)CO)cc1 2029385633 RDHBTKPHRSXIRX-UHFFFAOYSA-N 250.342 0.978 10 10 CCCE NC[C@@H](CNC(=O)c1cccc(O)c1O)C1CC1 2029478689 KETLMEWAVWJVTN-VIFPVBQESA-N 250.298 0.813 10 10 CCCE Nc1ccc(NC(=O)CN2C[C@@H](O)[C@H](F)C2)cc1 2031873172 UJUAVGDJHLFXCX-GHMZBOCLSA-N 253.277 0.222 10 10 CCCE CO[C@@H]1CN(C)C[C@@H]1NCc1cc(F)ccc1O 2034334007 KHPMTARBMMFDGS-WCQYABFASA-N 254.305 0.950 10 10 CCCE O=C(NCCN1CCCC1=O)c1ccc(O)c(O)c1 405829399 KTHYYSCHHXTEGI-UHFFFAOYSA-N 264.281 0.450 10 10 CCCE COc1ccc(N2CCC[C@@](O)(C(N)=O)C2)c(N)c1 311851163 OTAAGIJSRIVPGR-ZDUSSCGKSA-N 265.313 0.094 10 10 CCCE C[C@@H](CC(=O)N(C)C)NS(=O)(=O)Cc1ccc(N)cc1 312432518 SPJKHBVYXAACKK-JTQLQIEISA-N 299.396 0.555 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CC[C@@](CO)(C(=O)O)C1 2159946581 CKIXICVSCUZWDO-CYBMUJFWSA-N 281.264 0.007 10 10 CCCE [N-]=[N+]=NCCNC(=O)CNC(=O)c1ccccc1F 701318350 FWJABUGQKWXOHF-UHFFFAOYSA-N 265.248 0.982 10 10 CCCE Cc1cc(N2C[C@H](CO)[C@@H](CO)C2)ccc1CO 704452688 PSVUDKOUNMXBBK-CHWSQXEVSA-N 251.326 0.524 10 10 CCCE COc1cc(Cl)cc(CN[C@@H](C)[C@@H](O)CO)c1O 705077246 UGZMYSGXOOMZCB-XVKPBYJWSA-N 275.732 0.886 10 10 CCCE CCc1cccc(CNCCCNS(C)(=O)=O)c1O 709429399 HWIXMMCXHHPUHH-UHFFFAOYSA-N 286.397 0.984 10 10 CCCE [N-]=[N+]=N[C@H]1CCCN(C(=O)[C@H]2CCCC(=O)N2)C1 709675920 QNCDKMCBMVTNFC-DTWKUNHWSA-N 251.290 0.956 10 10 CCCE COC(=O)N(C)CCN(C)C(=O)Cc1ccc(N)cc1 690771714 RBXQVBHJAGKGLV-UHFFFAOYSA-N 279.340 0.968 10 10 CCCE CN(C)[C@H]1CCC[C@@](NCCN=[N+]=[N-])(C(N)=O)C1 715206771 DRXWFXWGXQZMRK-ONGXEEELSA-N 254.338 0.615 10 10 CCCE C[C@@H]1[C@@H](CO)CCN1c1ccc2c(c1)NC(=O)[C@H]2N 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0.765 10 10 CCCE COc1ccc(CNC2CN([C@@H]3CCOC3)C2)c(O)c1 2169346124 FSJMBOXXILVNOU-CYBMUJFWSA-N 278.352 0.964 10 10 CCCE Cc1ccc(O)c(CN[C@H](C(=O)O)C2CS(=O)(=O)C2)c1 2197525073 MJHVEIQCMPCWMD-LBPRGKRZSA-N 299.348 0.288 10 10 CCCE CN(C(=O)C1=C[C@@H](O)[C@H](N)C1)c1ccc([N+](=O)[O-])cc1 2188032544 RAKSNSDZPDQEIA-VXGBXAGGSA-N 277.280 0.576 10 10 CCCE C[C@H](NC1CN([C@H](C)C(=O)O)C1)c1c(O)cccc1O 2188305628 WZUZUSPKBXBHIV-DTWKUNHWSA-N 280.324 0.906 10 10 CCCE CN[C@H](C)[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)C1CC1 2188916292 OHPYCKIGFFMQJC-JMCQJSRRSA-N 280.324 0.920 10 10 CCCE COC1(C(N)=O)CN(c2ccc(CO)cc2Cl)C1 2042974519 LUVISLBOECWONL-UHFFFAOYSA-N 270.716 0.523 10 10 CCCE N[C@H]1CCCc2cc(N3C[C@H]4C[C@H]3[C@H](O)[C@@H]4O)ccc21 2184690478 CGMQTVNDKCUFJK-AFJPYQPYSA-N 274.364 0.953 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CC[C@H](O)[C@@H]4CC[C@@H]43)ccc21 2190251998 IBOSUJGETLRTEZ-SAXRGWBVSA-N 273.336 0.988 10 10 CCCE C[C@H](O)[C@H]1CN(c2ccc(CN)c(F)c2)CCO1 2053844974 KSCFBFLEYHTBQI-TVQRCGJNSA-N 254.305 0.870 10 10 CCCE C[C@@H]1CN(c2ccc(CO)c([N+](=O)[O-])c2)C[C@H]1O 2068304912 ZNHBASPJJVISRM-PRHODGIISA-N 252.270 0.904 10 10 CCCE Nc1ccc(CS(=O)(=O)NC[C@H]2CCCN2)cc1 2071664157 OYKKIPJMNMMWJK-GFCCVEGCSA-N 269.370 0.440 10 10 CCCE COC1(C(=O)N[C@@H](C)c2ccccc2O)CNC1 2072491609 SHFABUDIMARPRP-VIFPVBQESA-N 250.298 0.558 10 10 CCCE OC[C@@H]1COCC[C@@H]1NCc1ccc(O)c(O)c1 2072989904 DMEBHPBXYRPPFX-MNOVXSKESA-N 253.298 0.585 10 10 CCCE Nc1ccc(OCCC(=O)N[C@@]23CC[C@H]2CNC3)cc1 2191681967 DRDYKAUBBBMOOD-XHDPSFHLSA-N 275.352 0.906 10 10 CCCE NCc1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CF)cc1F 2084796021 ZYVVIENSLDYRED-SRVKXCTJSA-N 258.268 0.164 10 10 CCCE O[C@H]1C[C@@H](O)CN(c2ccc(CNC3CC3)cc2)C1 2105071444 AAKBNXOZJWVHGP-GASCZTMLSA-N 262.353 0.871 10 10 CCCE COc1cc(C(=O)N[C@@H](C)C[C@@H](C)N)cc(OC)n1 2110628306 KLOBNUBYUISHRQ-BDAKNGLRSA-N 267.329 0.954 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@@H]3C[C@H](O)[C@H]3C2)cc1 2095038205 BIJGXNQCIHGJEM-DRZSPHRISA-N 282.365 0.411 10 10 CCCE Nc1ccc(NC(=O)CN2CC[C@H](O)C[C@H]2CO)cc1 2200829955 ZKFJOJRULPRUKP-STQMWFEESA-N 279.340 0.025 10 10 CCCE Cc1cccc(CNS(=O)(=O)N2CCN[C@H](C)C2)c1O 2204621251 HDFRYOHECDYNBK-LLVKDONJSA-N 299.396 0.329 10 10 CCCE CCNCc1ccc(N2C[C@H](O)[C@H](O)[C@H]2CF)c(C)c1 2205612746 OBWVBBGLZPRCMT-QLFBSQMISA-N 282.359 0.984 10 10 CCCE Cc1cc(N2C[C@H](O)[C@H](O)[C@@H]2CF)ccc1[C@H](C)O 2269675863 GHZGTDUPRQGOIB-NZPIUUIZSA-N 269.316 0.928 10 10 CCCE COC(=O)C1(O)CN(c2ccc([C@@H](C)N)c(C)c2)C1 2269669124 YLVGYNYDNFLYGG-SNVBAGLBSA-N 264.325 0.739 10 10 CCCE OC[C@@]1(O)CCN(c2ccc3c(c2)CCCC3)C[C@@H]1O 2235102338 XCBIQPXITUNJGR-HOTGVXAUSA-N 277.364 0.860 10 10 CCCE COc1ccc(N2C[C@@H](O)[C@H](O)C2)c(CNC(C)C)c1 2235966634 VUNHDBOLDLHEJT-HUUCEWRRSA-N 280.368 0.735 10 10 CCCE C[C@@H](N)c1ccc(N2CCN3C(=O)COC[C@H]3C2)cc1 2236941643 NEHSAFXLZIKPSH-BXUZGUMPSA-N 275.352 0.754 10 10 CCCE CNCc1cc(OC)ccc1N(C)[C@H]1COC[C@@H]1O 2227680277 UZGNFSYVYCQPHJ-KBPBESRZSA-N 266.341 0.611 10 10 CCCE COc1ccc(N2CC[C@@](C)(O)[C@@H](O)C2)c(CN)c1 2227680878 CNIPEXNTQAMBQC-UONOGXRCSA-N 266.341 0.476 10 10 CCCE C[C@H](CNC(=O)Nc1ccc(N)cc1)[C@]1(O)CCNC1 2238406720 AJGCICBGJZPUCT-YGRLFVJLSA-N 278.356 0.751 10 10 CCCE CCc1nnc(Cn2ccc3c(c2=O)CNCC3)o1 2228549128 RQJCTAHIDNWRDX-UHFFFAOYSA-N 260.297 0.488 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 2256343391 DLPZNBXVGHXMOH-YIZRAAEISA-N 251.290 0.657 10 10 CCCE CN[C@]1(C(=O)NCc2cnc(SC)s2)CCOC1 2257026047 JFRZYKXPOYLAPR-LLVKDONJSA-N 287.410 0.860 10 10 CCCE O=C(C=Cc1ccc(O)c(O)c1)NCCN1CCOCC1 2307978326 GVVRDVDTHZYTOF-UHFFFAOYSA-N 292.335 0.559 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@H]2C[C@@H]3CN[C@H]2C3)cc1 2332126894 CBCKJCUYCOFIOX-KGYLQXTDSA-N 281.381 0.439 10 10 CCCE COC[C@H]1[C@@H](O)[C@@H](O)CN1c1ccc(CN)cc1Cl 2333608678 GMRPBACAIOQLKY-RWMBFGLXSA-N 286.759 0.356 10 10 CCCE COc1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CF)c(OC)c1 2333691797 WCKBEBBYWDQKAZ-LOWVWBTDSA-N 271.288 0.584 10 10 CCCE OCc1ccc(N2CC(CO)(CO)C2)cc1C1CC1 2339147393 XAGCMSUKTDSBBL-UHFFFAOYSA-N 263.337 0.847 10 10 CCCE Nc1ccc(NC(=O)CN2C(=O)CSC2=O)cc1 22177236 XHLIZJXVPDEILC-UHFFFAOYSA-N 265.294 0.903 10 10 CCCE C[C@@H](CCNC(=O)c1cccc(O)c1O)C(=O)O 126067401 LELAQACIHOYLDZ-ZETCQYMHSA-N 253.254 0.938 10 10 CCCE Nc1ccc(OCC(=O)NC[C@@H](O)C2CC2)cc1 71277129 WAHSFZBGIUFHSV-GFCCVEGCSA-N 250.298 0.535 10 10 CCCE O=C(O)/C=C\c1ccc(N2CC(=O)NC(=O)C2)c(F)c1 217754229 VFBJVIBCTDVSAL-RQOWECAXSA-N 278.239 0.386 10 10 CCCE CNC(=O)[C@@H]1CNCCN1[C@@H](C)c1cc(OC)ccc1O 226999883 OHKRHKDYDHSLGR-GWCFXTLKSA-N 293.367 0.482 10 10 CCCE CCOC[C@H](O)CNCc1ccc(O)c(O)c1O 381328989 HXJFNHDOGAZWLX-SECBINFHSA-N 257.286 0.290 10 10 CCCE CC[C@@H](CCO)CNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 94955871 MRJYXTLJUPCYTF-JQWIXIFHSA-N 296.367 0.492 10 10 CCCE O=C1Nc2cc(N3C[C@@H]4C[C@H](C[C@@H]4O)C3)ccc2[C@H]1O 2163564822 OVLHVPKSIHYDRV-OBPYKSBLSA-N 274.320 0.879 10 10 CCCE CC[C@H]1CCNC[C@H]1N(C)C(=O)c1cc(O)nc(O)c1 2163635913 SRFACJPXXGGKGM-GXSJLCMTSA-N 279.340 0.953 10 10 CCCE CCc1cc(C(=O)OCC(=O)C(C)=O)cc(O)n1 808534610 RKHPNAPHBRYBFP-UHFFFAOYSA-N 251.238 0.665 10 10 CCCE CCn1nc(C)c(C(=O)OCC(=O)C(C)=O)c1C 808512933 QZPJEPPORXBJJG-UHFFFAOYSA-N 252.270 0.835 10 10 CCCE CN1CCc2cc(N3CCC(N)(C(N)=O)CC3)ccc21 2163067899 BKSNMVPRGJGHOZ-UHFFFAOYSA-N 274.368 0.462 10 10 CCCE CC(=O)c1cc(F)cc(CN2CCN(C)[C@H](CO)C2)c1O 828724060 CXOXIZKNQQPVIM-ZDUSSCGKSA-N 296.342 0.842 10 10 CCCE COC(=O)/C=C\c1ccc(N(C)CC(N)=O)c([N+](=O)[O-])c1 917067936 CCFWVSGAOGVIDG-XQRVVYSFSA-N 293.279 0.703 10 10 CCCE CCOC(=O)CN(C)C(=O)Cc1ccc(O)c(O)c1 1542371201 VTTMZIZVBGIKIR-UHFFFAOYSA-N 267.281 0.662 10 10 CCCE C[C@@H](O)[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1 1295536767 UQQLZFNVHGZDDG-MWLCHTKSSA-N 265.309 0.870 10 10 CCCE O=C(NCc1ccc(N2CCOCC2)cc1)c1nc[nH]n1 772710311 GOIIGTLIWUEBIK-UHFFFAOYSA-N 287.323 0.571 10 10 CCCE NC[C@@H]1CC[C@H](NC(=O)COc2ccc(N)cc2)C1 1876524516 ZJVDXQSLIXTULC-PWSUYJOCSA-N 263.341 0.891 10 10 CCCE CCN(Cc1ccc(N(C)C)cc1)C(=O)c1nnn(C)n1 878008421 HSLDJJMBQNJUDP-UHFFFAOYSA-N 288.355 0.938 10 10 CCCE N[C@H]1CCCc2cc(N3CC[C@H](O)[C@@H](O)C3)ccc21 2132139164 YHOHJLYNQYXABY-KKUMJFAQSA-N 262.353 0.955 10 10 CCCE CCCN(C1CNC1)S(=O)(=O)Cc1ccc(N)cc1 1876537940 BAWVEUWHIIYWMP-UHFFFAOYSA-N 283.397 0.782 10 10 CCCE CN(c1cc2c(cc1N)OCC(=O)N2)[C@@H]1CC[C@H]1N 1876366499 KNTWOGUQAQREHF-GMSGAONNSA-N 262.313 0.526 10 10 CCCE C[C@H]1NCCN(C(=O)COc2ccc(N)cc2)[C@@H]1C 1876479276 FXGSUWKAXABVQY-GHMZBOCLSA-N 263.341 0.856 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NCCCCCO 1568572871 PCZQZHRWQJGNTF-UHFFFAOYSA-N 253.298 0.919 10 10 CCCE Cn1nnc2c1CCN(C(=O)Nc1ccc(N)cc1)C2 1963367807 RYUFJVNUOKGRAX-UHFFFAOYSA-N 272.312 0.988 10 10 CCCE C[C@@H](N)c1ccc(N2C[C@H](CO)[C@@H](CO)C2)c(F)c1 704798252 SFYARUWUKFRNKZ-YUSALJHKSA-N 268.332 0.882 10 10 CCCE CO[C@H]1CNC[C@@H]1c1nc(-c2ccc(O)c(O)c2)no1 690066293 KAUFXEHMERPTMB-KWQFWETISA-N 277.280 0.850 10 10 CCCE Cc1ccc(O)c(CN2CCOC[C@@]2(CN)CO)c1 693934498 QLIZJHKONVAAEE-CQSZACIVSA-N 266.341 0.223 10 10 CCCE C[C@@]12COC[C@H]1NC(=O)N(c1ccc(N)cc1)C2=O 90579836 XBGIIISERSYSFC-ZWNOBZJWSA-N 261.281 0.730 10 10 CCCE O=C(N[C@@H](CCO)C(F)F)c1cccc(O)c1O 1918569751 MJRSZTJFOXTPKY-ZETCQYMHSA-N 261.224 0.844 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1CCC[C@@H]1O 1963565242 CWLLUBJSRQDGNX-QWRGUYRKSA-N 265.309 0.918 10 10 CCCE COC[C@](O)(CNC(=O)OC(C)(C)C)C(=O)C(C)=O 1919117532 MNXBLZVZYOVITK-GFCCVEGCSA-N 275.301 0.047 10 10 CCCE O=C(COC[C@H]1CCCO1)NCc1cccc(O)c1O 1347542761 QZRMPBJSUFSZCI-LLVKDONJSA-N 281.308 0.910 10 10 CCCE O=C(NCc1ccc(O)cc1O)[C@@H]1CCc2nncn2C1 1451765860 IHKQUPGXFKHVEO-SNVBAGLBSA-N 288.307 0.568 10 10 CCCE NCC[C@@H]1CN(C(=O)c2ccc(O)c(O)c2)CCO1 2116231052 LOJDXDXVHPSCGW-SNVBAGLBSA-N 266.297 0.288 10 10 CCCE CNC(=O)NCCNC(=O)c1ccc(C)c(O)c1O 1469302865 HDNRADZHWOVLGL-UHFFFAOYSA-N 267.285 0.065 10 10 CCCE CN1CCN(C(=O)Cc2ccc(O)c(O)c2)CCC1=O 1470042173 JZMIZHRCYCXCNI-UHFFFAOYSA-N 278.308 0.331 10 10 CCCE O=C(C[C@@H]1C=CS(=O)(=O)C1)NCc1ccc(O)c(O)c1 1631439261 ZKHZNKSRVJDZOZ-JTQLQIEISA-N 297.332 0.662 10 10 CCCE O=C(C[C@H]1COC(=O)C1)NCc1cc(O)ccc1O 1593872753 CNNKYSFFTPCFJR-MRVPVSSYSA-N 265.265 0.667 10 10 CCCE C[C@H](O)[C@H]1CCN1c1ccc2c(c1)N(C)C(=O)[C@@H]2O 2125807980 DVSSDZIZOMJPJU-RLCGTCKNSA-N 262.309 0.656 10 10 CCCE CN(CC(=O)c1ccc(O)c(O)c1)C[C@H]1CCN1C 2129886150 GYQDMEMRALUJNL-LLVKDONJSA-N 264.325 0.916 10 10 CCCE O=C(NCCOCC1CC1)c1cc(O)c(O)c(O)c1 2132351562 YHCSUELWDPOSCO-UHFFFAOYSA-N 267.281 0.960 10 10 CCCE CC(C)(C)NC(=O)NC(=O)CN1CC(N=[N+]=[N-])C1 1912157157 RJVUYRSOILCZLN-UHFFFAOYSA-N 254.294 0.605 10 10 CCCE CNC(=O)NC(=O)[C@H](C)N1CC[C@@H](CN=[N+]=[N-])C1 1912187270 GHFQJVMHRQGTIH-YUMQZZPRSA-N 254.294 0.463 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1[C@H]2CC[C@H]1CC(O)C2 111387052 KOFJKNGMBODODD-IUCAKERBSA-N 264.281 0.621 10 10 CCCE Cn1c(O)nnc1NC(=O)Cc1ccc(O)c(O)c1 2135001453 KWCNZBHLKSCCNP-UHFFFAOYSA-N 264.241 0.113 10 10 CCCE C[C@@](O)(CCO)CNCc1ccc2c(c1)CCO2 1966085239 QERRLOYMBZBGJV-CQSZACIVSA-N 251.326 0.845 10 10 CCCE CCN(c1ccc(N)cc1)S(=O)(=O)C1COC1 1923230705 OPRKYVKTOGGRKE-UHFFFAOYSA-N 256.327 0.824 10 10 CCCE CCNC(=O)CCNC(=O)[C@@H]1CNc2ccccc2N1 229884164 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O=C(c1cc(O)nc(O)c1)N1C[C@@H]2CC[C@]2(C(=O)O)C1 2151383299 GWMCDDLFYNYNJL-SDBXPKJASA-N 278.264 0.430 10 10 CCCE Nc1ccc(OC[C@H](O)CN2C[C@@H](O)C(F)(F)C2)cc1 2152098162 JWWWWGFCZFENMH-ZYHUDNBSSA-N 288.294 0.320 10 10 CCCE Nc1ccc(CN2C[C@@H]3CCS(=O)(=O)[C@H]3C2)cc1 2028423430 SAZTYZUDNSVKCP-AAEUAGOBSA-N 266.366 0.888 10 10 CCCE NC[C@]1(O)CCCN(Cc2ccc(O)cc2O)C1 2039802694 ADYGWYMZPXLYLE-CYBMUJFWSA-N 252.314 0.383 10 10 CCCE CN(C)C1(C)CN(C[C@@H](O)COc2ccc(N)cc2)C1 2160659373 ZYHVCHRXOBWNEP-CYBMUJFWSA-N 279.384 0.644 10 10 CCCE CCN(C(=O)c1cc(O)nc(O)c1)[C@@H](C)C(=O)O 707909960 LKINDAANEBKJNN-LURJTMIESA-N 254.242 0.428 10 10 CCCE C[C@H](C(=O)Nc1ccc(N)cc1)N(C)CCOCCO 383509246 FAFLLNZCTAVGIJ-LLVKDONJSA-N 281.356 0.537 10 10 CCCE Nc1ccc(OCCCN2C[C@@H](O)C[C@H]2CO)cc1 698230108 UNGLDHWWUFIFLD-STQMWFEESA-N 266.341 0.465 10 10 CCCE Cc1cc(O)n2ncc(C(=O)N3C[C@@H](O)[C@H](C)C3)c2n1 2062968138 FILNEHQFABLWFU-GMSGAONNSA-N 276.296 0.196 10 10 CCCE O=C(NCc1ccccc1O)C1CS(=O)(=O)C1 866756611 YEDWYYQXZNBAFZ-UHFFFAOYSA-N 255.295 0.053 10 10 CCCE COCCNC(=O)NC(=O)CN1CCC[C@H]1CN=[N+]=[N-] 2179618924 NFEXXXNKYXYVEA-VIFPVBQESA-N 284.320 0.233 10 10 CCCE O=C(N[C@@H]1[C@H]2COC[C@H]21)c1cc(O)c(O)c(O)c1 1148590525 LYQOGZBLJUGWIZ-MTBHXBHISA-N 251.238 0.178 10 10 CCCE COC[C@](C)(CCO)NC(=O)c1cc(O)c(O)c(O)c1 2188875751 UEYSFSANAJWWIK-ZDUSSCGKSA-N 285.296 0.321 10 10 CCCE O=C(NC[C@]1(F)C[C@H](CO)C1)c1cc(O)c(O)c(O)c1 2188867701 FLWLUIHTUAFIIA-DQVINBPGSA-N 285.271 0.644 10 10 CCCE N[C@@H]1CC[C@H]2CN(C(=O)c3cc(O)c(O)c(O)c3)C[C@H]12 2188924631 RNDMBEOPKHOKQF-UJNFCWOMSA-N 278.308 0.613 10 10 CCCE C[C@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)C[C@@H]1CCN 2188919088 KCJWTWYKKOBANY-IUCAKERBSA-N 280.324 0.860 10 10 CCCE C[C@@H](O)c1ccc(N2CC3(C2)OC[C@H](O)[C@H]3O)c(Cl)c1 2183645684 YZCYENUPTQVMLP-OXHMUOHRSA-N 299.754 0.704 10 10 CCCE N[C@@H](CC(F)(F)F)C(=O)C(=O)C[C@H]1C[C@H](N)C1 1906906645 WAZJBUHANQJYSD-ACZMJKKPSA-N 252.236 0.532 10 10 CCCE NC(=O)[C@H]1COCCN1c1ccc2c(c1)CCC[C@@H]2O 2184690689 GFRNCPWRXBIFSX-KGLIPLIRSA-N 276.336 0.747 10 10 CCCE N[C@H]1CCc2cc(N3CCOC[C@@H]3[C@H](O)CO)ccc21 2184737799 MBYWPBVYRDSWPT-RRFJBIMHSA-N 278.352 0.191 10 10 CCCE OCc1cc(F)c(N2[C@H]3CC[C@H]2[C@H](O)[C@H](O)C3)c(F)c1 2190454540 SWNUJMKXDQDXPX-VVHPZPEWSA-N 285.290 0.920 10 10 CCCE C[C@@](CCS(C)(=O)=O)(NCCCN=[N+]=[N-])C(=O)O 2042642260 DLPDLZVMXNVBHN-VIFPVBQESA-N 278.334 0.554 10 10 CCCE CO[C@H]1C[C@@H](O)CN(Cc2cc(N)ccc2O)C1 2046662683 BOVUJEHAMOQSEB-NEPJUHHUSA-N 252.314 0.556 10 10 CCCE C[C@@H](N)[C@@H](NC(=O)c1cc(O)nc(O)c1)C1CC1 2055828247 NINZEKVFVLCIDT-KSBSHMNSSA-N 251.286 0.348 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCN(S(=O)(=O)C[C@H]2CCC2=O)C1 2057985352 KDXPPDUPBABNGA-DTWKUNHWSA-N 272.330 0.928 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC[C@H]3NCC[C@H]3C2)cc1 2191763731 MJPRFKYLLNDNQN-GXTWGEPZSA-N 295.408 0.782 10 10 CCCE CO[C@H]1C[C@H](CN)N(C(=O)COc2ccc(N)cc2)C1 2191714095 KTFXABSHQIWFOM-YPMHNXCESA-N 279.340 0.222 10 10 CCCE NC[C@@H]1C[C@@H](CNC(=O)CCc2ccc(N)cc2)CO1 2191749151 FFIQJDZZALMHBT-JSGCOSHPSA-N 277.368 0.681 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC[C@]3(CCNC3)C2)cc1 2191769029 LYNRBECBCSIMRU-AWEZNQCLSA-N 295.408 0.784 10 10 CCCE C[C@@H](c1ccccc1O)N(C)C(=O)[C@@H](O)CCN 2064284965 ODJPYLXRVKASCJ-CABZTGNLSA-N 252.314 0.621 10 10 CCCE CN(c1ccc2c(c1)CC[C@H]2O)C1CS(=O)(=O)C1 2065080067 DSYQXIHPYPKYKF-CYBMUJFWSA-N 267.350 0.899 10 10 CCCE C[C@@H](NC1(CC(=O)O)CNC1)c1ccccc1O 2072482816 XFPLXMRAMUNRNH-SECBINFHSA-N 250.298 0.860 10 10 CCCE C[C@@H](O)c1cc(F)c(N(C)C(CO)CO)c(F)c1 2074075314 GRVHVDIHHOZFFM-SSDOTTSWSA-N 261.268 0.808 10 10 CCCE C[C@@]1(O)CCC[C@H](NC(=O)c2cc(O)nc(O)c2)C1 2102065910 MDWZQBAHDDZYKG-TVQRCGJNSA-N 266.297 0.916 10 10 CCCE NCc1ccc(N2C[C@H](O)[C@@H]3COC[C@@H]32)c(F)c1F 2102190434 RYKGQLRGZQLRMD-MIMYLULJSA-N 270.279 0.619 10 10 CCCE Oc1ccc(CNCC[C@H]2COC[C@H]2O)c(O)c1O 2111333589 LCDXIIWYCQROKB-GXSJLCMTSA-N 269.297 0.290 10 10 CCCE NC(=O)C1[C@@H]2CN(c3ccc(C=CC(=O)O)cc3)C[C@@H]12 2201278626 PWMKFMASUORRDR-VXGBXAGGSA-N 272.304 0.952 10 10 CCCE COc1cccc(O)c1CN1CCC(CN)(CO)CC1 2202903298 CFTKWLLXOMGPPK-UHFFFAOYSA-N 280.368 0.934 10 10 CCCE CCN(C)S(=O)(=O)N(C)Cc1ccc(N)cc1 2215321827 OAPZGAGUFUZOBE-UHFFFAOYSA-N 257.359 0.897 10 10 CCCE CCC[C@H](N)CNC(=O)COc1ccc(N)cc1 2218564976 LFANKMRZFGGMAI-NSHDSACASA-N 251.330 0.891 10 10 CCCE Nc1cccc(C(=O)O)c1N[C@@H]1CCC[C@@H](O)[C@@H]1O 2224295000 WXITWBCBSKVJBB-CKYFFXLPSA-N 266.297 0.653 10 10 CCCE CN(C)c1ccc(OCC(=O)N2CCCNCC2)cc1 2237695299 GBMKHAMHIDJHEX-UHFFFAOYSA-N 277.368 0.953 10 10 CCCE CC[C@@H]1C(=O)NCCN1c1ccc(OC)cc1CN 2227672805 KHDIMXNEUZUEED-GFCCVEGCSA-N 263.341 0.869 10 10 CCCE CNC(=O)[C@H]1CCN(c2ccc(OC)cc2CO)C1 2227709926 ZQSBKKCUQWHPKY-JTQLQIEISA-N 264.325 0.760 10 10 CCCE Cc1cc(N2C[C@H](O)C[C@@H](O)C2)ccc1[C@H](C)N 2257468572 YJUKXLXJNJBPHG-CYZMBNFOSA-N 250.342 0.947 10 10 CCCE COc1cc(OC)c(N2CC(CO)(CO)C2)c(OC)c1 2287076194 QUELBWOAPZKBRA-UHFFFAOYSA-N 283.324 0.503 10 10 CCCE O[C@H]1CCc2cc(N3CC[C@H](O)[C@@H](O)CC3)ccc21 2269122956 ZGLINZANFNIHCU-KKUMJFAQSA-N 263.337 0.988 10 10 CCCE CCN[C@H](c1ccccc1O)[C@]1(O)COC2(COC2)C1 2286272335 VATRZXQWBZWCBR-UKRRQHHQSA-N 279.336 0.963 10 10 CCCE C[C@@H](N)c1cc(F)c(N2CC([C@@H](O)CO)C2)c(F)c1 2336768236 CGWLALDUWUSRFP-KRTXAFLBSA-N 272.295 0.774 10 10 CCCE CSC[C@@H](N)C(=O)N1CCc2cc(O)c(O)cc2C1 2341201145 ALSJHAIJOUKAPR-SNVBAGLBSA-N 282.365 0.673 10 10 CCCE COCC1(O)CC(C(=O)NCc2ccccc2O)C1 2343901310 GBAJILFXFWWRPA-UHFFFAOYSA-N 265.309 0.796 10 10 CCCE COCC[C@H](N)C(=O)N(C)Cc1ccccc1O 52809039 YMAACEJPPYTTBA-NSHDSACASA-N 252.314 0.714 10 10 CCCE CN(CCS(C)(=O)=O)Cc1cc([N+](=O)[O-])ccc1O 170917271 LCLXOFKOLRXZOZ-UHFFFAOYSA-N 288.325 0.777 10 10 CCCE NCc1ccc(N2CCN(CCO)CC2)c(F)c1 36231661 FETHSCHJYPLHSH-UHFFFAOYSA-N 253.321 0.399 10 10 CCCE COC(=O)[C@@]1(NCCCN=[N+]=[N-])CN2CCC1CC2 90259319 MWRAYRZMHVUCRU-GFCCVEGCSA-N 267.333 0.914 10 10 CCCE COc1ccc(CN(C[C@@H](C)O)[C@H](C)CO)c(O)c1 249073225 KCXJZFXHMGLARH-GHMZBOCLSA-N 269.341 0.964 10 10 CCCE NC(=O)[C@H]1C[C@@H](N)CN(c2ccc3c(c2)CCCO3)C1 2162660619 SGIAUXWTONYUPF-NWDGAFQWSA-N 275.352 0.651 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1Cc2cc(O)nnc2C1 2168668252 CUXZELHUFZSNQJ-UHFFFAOYSA-N 274.236 0.144 10 10 CCCE CC(=O)C(=O)COC(=O)CN1CCCCCCC1=O 808505221 VHIFFHBBZHSCKE-UHFFFAOYSA-N 269.297 0.480 10 10 CCCE CCOc1ccc(N2CC(N)(C(N)=O)C2)cc1OCC 2165757014 XTZTVWGZMJDUGF-UHFFFAOYSA-N 279.340 0.487 10 10 CCCE COc1cc(O)ccc1NS(=O)(=O)N1CCC1 901703898 LAMVCGFWFRYMQR-UHFFFAOYSA-N 258.299 0.763 10 10 CCCE COc1ccc(CNC(=O)[C@]23CNC[C@H]2COC3)c(O)c1 846680388 ABZCQHJKUBVRHO-NHYWBVRUSA-N 292.335 0.253 10 10 CCCE CC[C@@H](NC(=O)[C@H]1CNc2ccccc2N1)C(=O)NC 697873178 USWKNUSWOWERIZ-BXKDBHETSA-N 276.340 0.533 10 10 CCCE CCO[C@@H]1CS(=O)(=O)C[C@@H]1Oc1ccc(N)cc1 697087229 OLWITQRJGMCVSH-NEPJUHHUSA-N 271.338 0.850 10 10 CCCE Nc1ccc(OCC(=O)N2C[C@@H]3CNC[C@H]3C2)cc1 1876451327 MUKUJGZWJUNSHM-QWRGUYRKSA-N 261.325 0.325 10 10 CCCE CN1N=C(C(=O)N2Cc3cccc(O)c3C2)CCC1=O 871199489 YGQSIRSCGVJJMN-UHFFFAOYSA-N 273.292 0.843 10 10 CCCE O=C(O)[C@@H](F)C1(O)CN(Cc2cc(F)ccc2O)C1 1875537805 CRCUVMKMSQBLKC-SNVBAGLBSA-N 273.235 0.501 10 10 CCCE COC(=O)c1cccc(N)c1N[C@H]1COC[C@H]1CN 1876458772 HEXQMFNCNJGEBM-KCJUWKMLSA-N 265.313 0.441 10 10 CCCE C[C@H]1NCC[C@H]1NC(=O)CCOc1ccc(N)cc1 1876522986 IELYILYUNIMHGF-ZWNOBZJWSA-N 263.341 0.904 10 10 CCCE O=C(c1cccc(O)c1O)N1CCN2C(=O)OCC[C@H]2C1 790906018 BKOLHENVJCLARX-VIFPVBQESA-N 292.291 0.765 10 10 CCCE C[C@@]1(O)CCN(Cc2cc(N)ccc2O)C[C@@]1(C)O 1880702940 MXSNOZYFPPZUTM-ZIAGYGMSSA-N 266.341 0.682 10 10 CCCE Oc1cc2ncn(CCN3CCOCC3)c2cc1O 77019120 FVANSGDLWWWNDB-UHFFFAOYSA-N 263.297 0.780 10 10 CCCE COc1cc2c(cc1OC)N(C[C@@](C)(O)CO)CC2 1884531298 VRGFPRFUMNHGMU-CQSZACIVSA-N 267.325 0.810 10 10 CCCE N[C@H](CO)c1nnc(/C=C/c2ccc(O)c(O)c2)o1 83458115 VFTUTVVPWMYWTH-BYDTYLDUSA-N 263.253 0.643 10 10 CCCE CN1C[C@H](NC(=O)CCc2ccc(N)cc2)CCC1=O 84058808 DNAXPQZHMGEFMA-CYBMUJFWSA-N 275.352 0.938 10 10 CCCE CN(C)CCNCC(=O)N(C)Cc1ccccc1O 695402961 VEVJXTGYINUOMC-UHFFFAOYSA-N 265.357 0.502 10 10 CCCE Cc1cc(CO)ccc1N1C[C@H](O)C[C@@]1(C)CO 698137281 KEHHSSITCGGGFX-OCCSQVGLSA-N 251.326 0.809 10 10 CCCE O=C(C(=O)N1CCC[C@@H]1CO)N1Cc2cccc(O)c2C1 1261857597 PSVQVILUYHQRPI-LLVKDONJSA-N 290.319 0.218 10 10 CCCE CC1(C)C(=O)N(CCCOc2ccc(N)cc2)S1(=O)=O 94344533 YFDZVHYKAZONOD-UHFFFAOYSA-N 298.364 0.988 10 10 CCCE Cn1ccnc1C1(O)CN(C(=O)c2cccc(O)c2O)C1 1348017781 YLDFWBSMLRHMAJ-UHFFFAOYSA-N 289.291 0.175 10 10 CCCE NC[C@@H]1CCc2nnc(-c3cccc(O)c3O)n2C1 97882304 TVUXSRKHJFZYOG-QMMMGPOBSA-N 260.297 0.877 10 10 CCCE Cc1ccc(O)c([C@H](NN2CCN(C)CC2)C(=O)O)c1 211726214 RUMRFQMOAOASNY-ZDUSSCGKSA-N 279.340 0.578 10 10 CCCE Cc1cn([C@@H]2C[C@@H](O)[C@H](CON=[N+]=[N-])O2)c(=O)nc1O 1614606089 PJWIJKPFIJBQCZ-CSMHCCOUSA-N 283.244 0.148 10 10 CCCE CNC[C@@H]1CN(C(C)=O)C[C@@H]1c1ccc(O)c(O)c1 1614808540 UAGXYMMMKZKNFW-VXGBXAGGSA-N 264.325 0.879 10 10 CCCE O=C(NC1CC([C@H](F)CO)C1)c1cc(O)nc(O)c1 1906454224 WQPYLIRMDNJDIB-KPIFQKDSSA-N 270.260 0.332 10 10 CCCE C[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CC[C@@H]1O 1634715224 OZRYFYYRVUIMEN-KOLCDFICSA-N 265.309 0.870 10 10 CCCE C[C@H](c1ccc(O)cc1O)N1CC[C@H](N)[C@H](CO)C1 2122391815 MODWYEZAQPYLFC-NRUUGDAUSA-N 266.341 0.800 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N(C)[C@H]3C[C@H](O)C3)cc21 2122885018 WSPCXZLKFUQDIC-KWBADKCTSA-N 261.325 0.622 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NCCN1CCSCC1 1585683070 SIHBTIIJIBDQCR-UHFFFAOYSA-N 296.392 0.805 10 10 CCCE COc1cccc(CN(C)[C@@H]2COC[C@H]2C(=O)O)c1O 250244747 SLAJLBWIRFJCHA-GHMZBOCLSA-N 281.308 0.932 10 10 CCCE CN1CCCc2cc(CNCCOCC(N)=O)ccc21 230047339 WNPSEPQFVXGBTC-UHFFFAOYSA-N 277.368 0.661 10 10 CCCE COc1cc(O)c(CN2CCNC(=O)CC2)cc1OC 160129102 GFPADQJSFLFBIV-UHFFFAOYSA-N 280.324 0.731 10 10 CCCE OC[C@@H]1C[C@H](CO)N(c2ccc3c(c2)CC[C@H]3O)C1 2128321528 LKGFKMDECCSZBT-WDBKCZKBSA-N 263.337 0.846 10 10 CCCE C[C@H]1CN(C)CCN1C(=O)c1cc(O)c(O)c(O)c1 2132350139 KZYNYDSYAAVVRR-QMMMGPOBSA-N 266.297 0.580 10 10 CCCE O=C(O)[C@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)O1 2132348070 DAMGUBIBZKPELJ-MRVPVSSYSA-N 269.209 0.034 10 10 CCCE C[C@@H]1CNCCN(C(=O)c2cc(O)c(O)c(O)c2)C1 2132412690 GIVMAGFBMWEYIL-MRVPVSSYSA-N 266.297 0.485 10 10 CCCE Cc1cccc(CNC(=O)[C@@H](N)[C@H]2CCCO2)c1O 2139743885 QJOBCNDPPRISBN-NEPJUHHUSA-N 264.325 0.823 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)[C@H]2CCCC(=O)N2)C1 1912168105 RSBMAIPMTBZSSD-DTWKUNHWSA-N 251.290 0.814 10 10 CCCE Cn1nc(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)ccc1=O 1912202044 AXKTYBNNJRNXNG-MRVPVSSYSA-N 262.273 0.553 10 10 CCCE CCCNC(=O)CN(C)C(=O)CN(C)CCN=[N+]=[N-] 1912205666 PQCFZCTWTYLILD-UHFFFAOYSA-N 270.337 0.213 10 10 CCCE Nc1ccc(CC(=O)N2CCO[C@@]3(CCNC3)C2)cc1 1967079078 TZHZOYCUTPCPEB-OAHLLOKOSA-N 275.352 0.402 10 10 CCCE N[C@@H]1C[C@@H]2C[C@H](NC(=O)c3cccc(O)c3O)C[C@H]12 2137373081 AGMWHVUYPCOBIW-MPKXCIJOSA-N 262.309 0.953 10 10 CCCE CN1C(=O)[C@H](O)c2ccc(N3C[C@@H]4C[C@@]4(CO)C3)cc21 2146306384 OVHPJQWCVLZQEP-RJIBLYRGSA-N 274.320 0.515 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N3CCOC[C@@H]3CO)ccc21 168239152 WFWBLZXKBBGPCB-GXFFZTMASA-N 277.324 0.097 10 10 CCCE O=C1Nc2cc(N3CC[C@H](O)[C@H](F)C3)c(F)cc2[C@@H]1O 2144565799 DDHAXMSFSXYELU-ZHAHWJHGSA-N 284.262 0.720 10 10 CCCE CN[C@H](c1ccccc1O)[C@@]1(O)CCO[C@]12CCOC2 2148164574 VZEIZFZQSHVIQB-ILXRZTDVSA-N 279.336 0.963 10 10 CCCE NCc1ccc(N2CCC(OCC(N)=O)CC2)cc1F 2145378574 ALBLSXHSEFPQKK-UHFFFAOYSA-N 281.331 0.755 10 10 CCCE C[C@@H](CNC(=O)CCOc1ccc(N)cc1)[S@@](C)=O 165000560 GWEUWLGALLDFOS-OVWNDWIMSA-N 284.381 0.921 10 10 CCCE CN(C)c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2)cc1 40825875 ZPAZGBAUDMWXKY-OLZOCXBDSA-N 263.341 0.092 10 10 CCCE COC(=O)[C@H]1C[C@@H]1C(=O)NCCc1ccc(O)c(O)c1 269121482 DOXMWWPPESOLOS-UWVGGRQHSA-N 279.292 0.566 10 10 CCCE COc1ccc(O)c(CN[C@@H]2COC[C@@H]2CO)c1 2029843068 CJKMGBXTHKJGMB-CMPLNLGQSA-N 253.298 0.498 10 10 CCCE CNCc1ccc(N2CCN3C[C@H](O)C[C@H]3C2)c(C)c1 405674962 KYYHAJDKTOEOOF-LSDHHAIUSA-N 275.396 0.970 10 10 CCCE CCOC(=O)[C@H](NCCCN=[N+]=[N-])c1cnn(C)n1 311973895 BRQMCDHMEYOHFS-SECBINFHSA-N 267.293 0.709 10 10 CCCE C[C@H](O)CN(CC(=O)Nc1ccc(N)cc1)C[C@@H](C)O 2159731028 TXXFVRXVJABKGN-PHIMTYICSA-N 281.356 0.271 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC(n3ccnn3)C2)cc1 2170200614 GQKURJNZEJMYCY-UHFFFAOYSA-N 293.352 0.247 10 10 CCCE CN(C(=O)c1cccc(O)c1O)C1CC(S(C)(=O)=O)C1 716063741 ZYPSNAYIAMSHPN-UHFFFAOYSA-N 299.348 0.745 10 10 CCCE C[C@@H]1[C@@H](O)CCCN1c1ccc2c(c1)NC(=O)[C@@H]2N 384723926 HWKGITDOKYZRNZ-OXHMUOHRSA-N 261.325 0.988 10 10 CCCE CC1(C)CN(C(=O)c2ccc(O)c(O)c2)C[C@H]1O 387676428 FMWJDLNIDVFAKQ-LLVKDONJSA-N 251.282 0.941 10 10 CCCE CC1(C)CN(C[C@H](O)COc2ccc(N)cc2)C[C@H]1O 387877239 LGCJZNTWLVZJRY-GXTWGEPZSA-N 280.368 0.711 10 10 CCCE CNCc1ccc(N2C3COCC2COC3)c(C#N)c1 399790305 ZJXUJLWEILBUFE-UHFFFAOYSA-N 273.336 0.882 10 10 CCCE C[S@@](=O)(CC1CC(N)C1)=NC(=O)c1cc(O)nc(O)c1 2172258286 AOOICNYCCMUVTE-BVRIQOCBSA-N 299.352 0.468 10 10 CCCE Nc1ccc(NC(=O)NC[C@]2(O)CCNC2)cc1 2071566770 JRXLVCQDBJQBRQ-LBPRGKRZSA-N 250.302 0.115 10 10 CCCE O=C(C[C@@]1(O)CCOC1)N1Cc2cccc(O)c2C1 2062329387 MYRSCCGSFCGUAK-AWEZNQCLSA-N 263.293 0.776 10 10 CCCE NC(=O)[C@@H]1CCC[C@@H]1NC(=O)CCc1ccc(N)cc1 2174100710 OSHZCBKACFUQQW-OLZOCXBDSA-N 275.352 0.972 10 10 CCCE Nc1ccc(OCC(=O)N2C[C@@H]3C[C@@H](CO)[C@@H]3C2)cc1 2174305995 COUTUMQOCWLLHK-COPLHBTASA-N 276.336 0.734 10 10 CCCE CN(C[C@H]1[C@@H]2COC[C@@H]21)c1ccc2c(c1)NC(=O)[C@@H]2N 2174643588 MQYGULOFCMIWRR-NRWUCQMLSA-N 273.336 0.967 10 10 CCCE C[C@@](O)(CO)Cn1cc(COc2ccc(N)cc2)nn1 2179336241 LANVJCUMYOHMGI-ZDUSSCGKSA-N 278.312 0.183 10 10 CCCE C[C@@]1(CO)COCCN1C(=O)COc1ccc(N)cc1 2169062749 AQDYDJATAKLIFD-CQSZACIVSA-N 280.324 0.257 10 10 CCCE C[C@@H](c1ccccc1O)N(C)C(=O)NC[C@H](O)C(=O)O 2192568948 ZWNOOHHFMRIQLB-KWQFWETISA-N 282.296 0.540 10 10 CCCE C[C@H]1C(=O)NC(=O)CN1c1ccc2c(c1)CCC[C@@H]2N 2184688404 YKHBTYKTVVASKW-ZANVPECISA-N 273.336 0.874 10 10 CCCE NC1(CC(=O)C(=O)C[C@H]2C[C@H](N)C2)CCSCC1 2049787555 ZKBOPPBNALMYFQ-MGCOHNPYSA-N 270.398 0.867 10 10 CCCE C[C@H](O)c1ccc(N2CC([C@@H]3NC(=O)NC3=O)C2)cc1 2184961988 IJEOOMKFFTYHQK-UFBFGSQYSA-N 275.308 0.384 10 10 CCCE CN(CCc1ccc(N)cc1)C[C@@]1(O)CCOC1 2066018447 KSOWWAWYOUDDMN-AWEZNQCLSA-N 250.342 0.895 10 10 CCCE Nc1cc2c(cc1N1CCCC[C@@H](N)C1)NC(=O)CO2 2191572000 MKYTYKZQOUGEIS-SECBINFHSA-N 276.340 0.917 10 10 CCCE Nc1ccc(NC(=O)N2CCN(C3CNC3)CC2)cc1 2191530168 MKDMSMFYPBHVSN-UHFFFAOYSA-N 275.356 0.390 10 10 CCCE Nc1cccc(C(=O)O)c1N[C@H]1CCNCC[C@H]1CO 2191698088 LYUTYLBOHVCONV-CABZTGNLSA-N 279.340 0.739 10 10 CCCE CN1CC[C@H](CNCc2ccc(O)cc2O)C1=O 2074215256 QVPYBWZDZSIAGQ-SNVBAGLBSA-N 250.298 0.666 10 10 CCCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)[C@@H]2CO[C@@H]3COC[C@@H]32)C1 2101886355 RAMLFUREWQXLKU-GWOFURMSSA-N 266.301 0.949 10 10 CCCE O=C(NC[C@H](CO)C(F)(F)F)c1ccc(O)c(O)c1 2105262766 RTKZKEAURDVRDO-SSDOTTSWSA-N 279.214 0.998 10 10 CCCE C[C@H](NC1CC(NC(N)=O)C1)c1c(O)cccc1O 2096549647 OBUOUOIUUIBLCH-UEJVZZJDSA-N 265.313 0.948 10 10 CCCE CO[C@@H](C(=O)N(C)Cc1ccccc1O)C1CNC1 2115730687 JQRMDTIJTGYGBS-CYBMUJFWSA-N 264.325 0.585 10 10 CCCE CC1(C)CCN[C@@H]1CNC(=O)c1cc(O)c(O)c(O)c1 2204727620 GHTIYIQXUSNWCF-LLVKDONJSA-N 280.324 0.921 10 10 CCCE CCN(CC(N)=O)c1ccc(OC)cc1C(=O)O 2220414012 JAUJBQFDNPVRRD-UHFFFAOYSA-N 252.270 0.705 10 10 CCCE NCc1ccc2c(c1)CCCN2CCOCC(N)=O 2232259516 IBUKMPXXMAUSTB-UHFFFAOYSA-N 263.341 0.400 10 10 CCCE CNCc1cc(OC)ccc1N1C[C@@H](O)C[C@@]1(C)CO 2235958019 IKRJRLCDPSQTGK-WFASDCNBSA-N 280.368 0.737 10 10 CCCE C[C@@]1(CO)C=CCN1C[C@@H](O)COc1ccc(N)cc1 2237173222 WGRAXILSKDZREI-HIFRSBDPSA-N 278.352 0.631 10 10 CCCE CNCc1cc(OC)ccc1N1CC[C@@](O)(CO)C1 2227685416 FZOQZARLYHWWIA-AWEZNQCLSA-N 266.341 0.348 10 10 CCCE COc1ccc(N2CC(=O)NC(=O)[C@H]2C)c(CN)c1 2227673794 RREPAZNTHCKUJH-MRVPVSSYSA-N 263.297 0.005 10 10 CCCE Cc1cc(N2CC[C@H](O)[C@@H](O)CC2)ccc1CN 2256985756 FJVLZCJALMYSQC-KBPBESRZSA-N 250.342 0.776 10 10 CCCE Cc1cc(N2C[C@@H](O)C[C@@H](O)C2)ccc1[C@H](C)O 2257465490 PKCLKMNDQXTUIF-WCFLWFBJSA-N 251.326 0.980 10 10 CCCE COc1cc(N2CC[C@@H]2[C@@H](O)CO)ccc1CO 2258340023 FXHSUJVIYLBWBD-NEPJUHHUSA-N 253.298 0.119 10 10 CCCE O=C(NCCN1CC[C@H]2C[C@H]21)c1ccc(O)c(O)c1 2274543859 VLTNAGROCAYLJW-GXSJLCMTSA-N 262.309 0.922 10 10 CCCE Cc1cc(N2CC(=O)NC(=O)[C@H]2C)ccc1[C@H](C)O 2269691425 TTYZTGFWKOGMMP-ZJUUUORDSA-N 262.309 0.900 10 10 CCCE NC(=O)C[C@H]1CCCN1c1ccc(CO)c([N+](=O)[O-])c1 2285585993 VQLUJJWCYDFKDZ-SNVBAGLBSA-N 279.296 0.931 10 10 CCCE Nc1ccc(NC(=O)N=c2nc(C3CNC3)[nH]s2)cc1 2296455759 ZWTLINORXALRPN-UHFFFAOYSA-N 290.352 0.873 10 10 CCCE COc1ccc(N2C[C@H](O)[C@H](O)[C@@H](CO)C2)c(F)c1F 2289361137 XRNFGXTVKJERQK-BZTNIEFMSA-N 289.278 0.124 10 10 CCCE N[C@H]1C[C@@H]2C[C@H](NC(=O)c3cccc(O)c3O)C[C@H]12 2333022450 AGMWHVUYPCOBIW-UUTMEEIUSA-N 262.309 0.953 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3C[C@H]4[C@@H](O)C[C@H]4C3)ccc21 2333483905 SVOOKLCSXHQKMY-VFHFYPCJSA-N 259.309 0.456 10 10 CCCE C[C@@H](NC(=O)CCNCCCO)c1ccccc1O 2342637233 NHGXQGPQJUDJHB-LLVKDONJSA-N 266.341 0.932 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CC[C@@H]2C[C@]12CO 2356886102 ZALXOPUYERUJPU-RIEGTJTDSA-N 277.320 0.918 10 10 CCCE CN(C)c1ccc(/C=c2/sc3n(c2=O)CCN=3)cc1 35042383 GVGMTKQRCIDIIE-FMIVXFBMSA-N 273.361 0.438 10 10 CCCE COCCNC1=N[C@](C)(c2ccc(N(C)C)cc2)C(=O)N1 213288114 GHFXHYLYYVDGGR-OAHLLOKOSA-N 290.367 0.690 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N(CCOC)CCOC)ccc21 48895501 CWTZPKWJODMACU-CQSZACIVSA-N 293.367 0.998 10 10 CCCE C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2O)C[C@H](CO)O1 190130909 HRMZGUHGGLDCOZ-JOYOIKCWSA-N 282.296 0.882 10 10 CCCE CC[C@H](c1ccccc1O)N1CCNC[C@@H]1C(N)=O 88659639 USQCJXBZJJZUFZ-VXGBXAGGSA-N 263.341 0.602 10 10 CCCE CN1CCc2cc([C@@H]3NC(=O)[C@H]4COCCN43)ccc21 93884160 WDPKEUPKJYYUME-ZIAGYGMSSA-N 273.336 0.508 10 10 CCCE C[C@H](O)[C@@H](O)CNC(=O)/C=C\c1ccc(N(C)C)cc1 717331101 KHBZOKMEDKANOT-SGJSMBNBSA-N 278.352 0.624 10 10 CCCE CCN[C@H]1C(=O)Nc2cc(N(C)CC(=O)NC)ccc21 723179059 PQLVZCORRQHVNL-CYBMUJFWSA-N 276.340 0.472 10 10 CCCE C[C@@H](NC(=O)C(=O)NCCCN)c1ccc(N(C)C)cc1 842202259 HDWJNTNCPHIROV-LLVKDONJSA-N 292.383 0.395 10 10 CCCE CN1CCN(c2ccc(CN[C@H]3CCNC3=O)cc2)CC1 850342759 JOFUOIGXWIIZBB-HNNXBMFYSA-N 288.395 0.417 10 10 CCCE OC[C@@H](O)CNCc1ccc(Br)cc1O 691414409 LYJXVAQYJUEKRM-VIFPVBQESA-N 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Nc1ccc(CS(=O)(=O)N2C[C@@H]3CC[C@H](C2)N3)cc1 1876531783 RYMWZCPUBYMXBN-BETUJISGSA-N 281.381 0.535 10 10 CCCE COC(=O)C1(O)CN(Cc2cc(C)cc(OC)c2O)C1 895466179 FQHYRODPRPTASN-UHFFFAOYSA-N 281.308 0.429 10 10 CCCE CN(Cc1ccccc1O)c1nc(C(=O)O)n(C)n1 1877524317 KZPNBYDPVXHQLF-UHFFFAOYSA-N 262.269 0.855 10 10 CCCE C[C@H](N)[C@H]1CCCN1C(=O)c1cc(O)c(O)c(O)c1 1879188440 TVWHOLUOBZWKAE-IONNQARKSA-N 266.297 0.755 10 10 CCCE COC1(C(=O)NCc2cc(O)ccc2O)CCOCC1 1153886162 YUWBEILKLUBPGI-UHFFFAOYSA-N 281.308 0.910 10 10 CCCE O=C(COC[C@H]1CCCO1)NCc1c(O)cccc1O 1156881317 YIBJJISVEPETQC-SNVBAGLBSA-N 281.308 0.910 10 10 CCCE O=C(NCc1cc(O)ccc1O)C1=COCCO1 1303223479 RAVJJRBOFNFZIP-UHFFFAOYSA-N 251.238 0.602 10 10 CCCE C[C@H](O)CN(c1ccc2c(c1)NC(=O)[C@@H]2N)C1CC1 691362616 WQZQBTBUFFFLDV-ISVAXAHUSA-N 261.325 0.988 10 10 CCCE CN(C(=O)Cc1ccc(N)cc1)[C@H]1COC[C@H]1O 709117063 GXAVXINKWYWRNT-NWDGAFQWSA-N 250.298 0.029 10 10 CCCE COc1ccc(O)c(CNC[C@@H]2C[C@H](C(=O)O)CO2)c1 713993128 NETYIALDXLYKQZ-JQWIXIFHSA-N 281.308 0.980 10 10 CCCE CO[C@]1(CNCc2ccccc2O)CCS(=O)(=O)C1 721185921 JGRZZMTVYAHJII-ZDUSSCGKSA-N 285.365 0.686 10 10 CCCE COc1ccc(O)c([C@@H](C)NCCc2nnnn2C)c1 756678787 YHYKFBFJGVTIOS-SECBINFHSA-N 277.328 0.818 10 10 CCCE C[C@@H]1OC(=O)N[C@@H]1C(=O)NCc1cc(O)ccc1O 1455356031 GMKWJCLUUQXILN-WKEGUHRASA-N 266.253 0.211 10 10 CCCE C[C@H]1CN(CC(=O)c2ccc(O)c(O)c2)CC[S@@]1=O 2115351307 DXFKTSGBNYJVHA-UGZDLDLSSA-N 283.349 0.733 10 10 CCCE C[C@@H]1C[S@](=O)CCN1CC(=O)Nc1ccc(N)cc1 2115318551 YYDLNNWCFDYIOC-GIGQVBGESA-N 281.381 0.660 10 10 CCCE Cc1ccc(C(=O)NC[C@@H]2CNC(=O)C2)c(O)c1O 1469018641 GPOMDNQTVJXYDX-QMMMGPOBSA-N 264.281 0.272 10 10 CCCE C[C@]1(O)CNCCN(c2ccc3c(c2)OCO3)C1 214571285 QVINFDYLNRLZHB-ZDUSSCGKSA-N 250.298 0.576 10 10 CCCE NC[C@@H]1[C@@H]2C[C@@H]2CN1c1cc2c(cc1N)OCCO2 1905459513 QWEAIEBYYYORDI-KBVBSXBZSA-N 261.325 0.823 10 10 CCCE Nc1ccc(CC(=O)N2C[C@@H]3[C@H](CO)C[C@H]3C2)cc1 2117685476 YXFSYANSXUNQSC-OBJOEFQTSA-N 260.337 0.898 10 10 CCCE C[C@H](O)[C@H](N[C@H](C)Cc1ccc(N)cc1)C(=O)O 250999318 PBLYSRUREBLGRF-PTRXPTGYSA-N 252.314 0.623 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1NC[C@@H]2C[C@@H]21 1906023289 IPYAOZYBDNMEKG-DCAQKATOSA-N 262.309 0.364 10 10 CCCE COc1cccc(O)c1CN1CCO[C@@H](CCN)C1 2119435279 JXIKKFBSTFGTFG-NSHDSACASA-N 266.341 0.950 10 10 CCCE C[C@H](NC(=O)Nc1ccc(N)cc1)c1nc(=O)o[nH]1 2121344589 HFEXQBVVSMDWEW-LURJTMIESA-N 263.257 0.828 10 10 CCCE CN1CCCc2cc([C@H](O)[C@](C)(N)C(=O)O)ccc21 2121911679 SLFPGTPHBUMQHN-JSGCOSHPSA-N 264.325 0.904 10 10 CCCE NC(=O)CCn1cc(COc2ccc(N)cc2)nn1 2122752742 MBNKILJXBHTIHP-UHFFFAOYSA-N 261.285 0.315 10 10 CCCE CN1CCN(NCc2ccc3c(c2)CCN3C)CC1 214435000 HCDDNZLFATWDII-UHFFFAOYSA-N 260.385 0.931 10 10 CCCE CC1(C)OC[C@H](NC(=O)c2ccc(O)c(O)c2)[C@H]1O 1910828614 JRBMZDYLJMTURV-GZMMTYOYSA-N 267.281 0.366 10 10 CCCE CC1(C)[C@@H](O)C[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 1634567770 VGWRPNIZDPVPJR-RYUDHWBXSA-N 265.309 0.916 10 10 CCCE Cc1cc(/C=C/C(=O)O)ccc1N1CCOC[C@@H]1C(N)=O 159026394 GBWJHQQJEHVOGU-MASHWEEQSA-N 290.319 0.783 10 10 CCCE N[C@H]1CCCc2cc(N3C[C@H](O)C[C@@H](O)C3)ccc21 2128279469 PYUUFOWVLUJDNF-NFAWXSAZSA-N 262.353 0.955 10 10 CCCE CN(Cc1nnnn1C)c1ccc2c(c1)CC[C@@H]2O 2128321446 IQZFBCMEIARBAQ-LBPRGKRZSA-N 259.313 0.826 10 10 CCCE Nc1ccc(OCC(=O)N[C@H]2COCC2(F)F)cc1 2131099559 DJIHKNDVBZGLFK-JTQLQIEISA-N 272.251 0.798 10 10 CCCE O=C(NCC[C@H]1CCCN1)c1cc(O)c(O)c(O)c1 2132410476 NIDUIDXAQXAKTE-SECBINFHSA-N 266.297 0.675 10 10 CCCE CN1C(=O)C[C@@H](N2CCc3cc(CN)ccc32)C1=O 2133391848 SGTBMNFSRFOYMN-GFCCVEGCSA-N 259.309 0.265 10 10 CCCE COCC(COC)S(=O)(=O)N1CC[C@@H](N=[N+]=[N-])C1 1912159986 PDJDCOUPPFGWHU-MRVPVSSYSA-N 278.334 0.362 10 10 CCCE Cc1c(CNCC(O)(CO)CO)n(C)c2ccccc12 1913789960 PTMJNVOZWDBCGC-UHFFFAOYSA-N 278.352 0.292 10 10 CCCE C[C@@H]1C(=O)NCCN1CCC(=O)Nc1ccc(N)cc1 110654468 FDTYEZPWQMBJKL-SNVBAGLBSA-N 276.340 0.418 10 10 CCCE C[C@H]1OCC[C@@]1(O)CNC(=O)CCc1ccc(N)cc1 227097312 KYUVDMHCVRTJOW-IAQYHMDHSA-N 278.352 0.858 10 10 CCCE C[C@@]1(C(=O)NCc2ccccc2O)COC[C@@H]1N 228421841 SBQKTUNCFLWBRN-WCQYABFASA-N 250.298 0.372 10 10 CCCE C[C@H](NS(=O)(=O)Cc1ccc(N)cc1)C(=O)NC1CC1 228899379 YKLLTCMJIVBQDR-VIFPVBQESA-N 297.380 0.355 10 10 CCCE Nc1ccc(CC(=O)NCC23CC(CO)(CO2)C3)cc1 1967268134 PEHZCVLDNPUKCD-UHFFFAOYSA-N 276.336 0.469 10 10 CCCE C[C@@H]1CCN(S(=O)(=O)Cc2ccc(N)cc2)[C@@H]1C(N)=O 2146456003 FFLDYNFPHIIJAV-SKDRFNHKSA-N 297.380 0.294 10 10 CCCE C[C@H](N)c1ccc2c(c1)CCN2Cc1nnn(C)n1 235501670 VXWKJKQENHOAPX-VIFPVBQESA-N 258.329 0.793 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@@H](N)[C@@H]1CCCO1 1968856933 FGHNDXIFAGYCAH-STQMWFEESA-N 264.325 0.857 10 10 CCCE COC[C@@H](NCc1cc(Cl)ccc1O)C(N)=O 1947025755 UFVLQRQCLUKGFZ-SECBINFHSA-N 258.705 0.636 10 10 CCCE CCOC(=O)[C@H]1CNC[C@H]1c1cc(O)c(O)c(O)c1 1951593106 SWYLPLGVZUHXIN-IUCAKERBSA-N 267.281 0.670 10 10 CCCE N[C@@H]1CC12CC(NC(=O)Cc1ccc(O)c(O)c1)C2 1972784421 SGWZKZMPRGKVFJ-VTGPFMDVSA-N 262.309 0.636 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CCC[C@H]2C[C@]21C(=O)O 2143909293 YOKLRCHLVLXDRV-ISVAXAHUSA-N 278.264 0.572 10 10 CCCE CC1(C)CN(CC(=O)c2ccc(O)c(O)c2)CC(=O)N1 2150467154 CKAQCLDATXTYKX-UHFFFAOYSA-N 278.308 0.491 10 10 CCCE Nc1ccc(OC[C@H](O)CN2C[C@@H](O)C3(CC3)C2)cc1 2149758671 ZGVIYRNDDRUAGZ-TZMCWYRMSA-N 278.352 0.465 10 10 CCCE C[C@H]1OCCO[C@H]1C(=O)NCCc1ccc(O)c(O)c1 2148000104 MIFIZIWYDATYTR-NOZJJQNGSA-N 281.308 0.560 10 10 CCCE Nc1ccc(NC(=O)N2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)cc1 2145068262 UJGCPDDKYSVUCL-JOYOIKCWSA-N 295.364 0.920 10 10 CCCE COC[C@]1(O)CCN(c2ccc3c(c2)NC(=O)[C@@H]3O)C1 2151755676 CNYKDDKXRLVLOR-OCCSQVGLSA-N 278.308 0.260 10 10 CCCE NC(=O)CN(CCCCCO)Cc1ccc(N)cc1 51021366 GCFZLBDRNJEYKM-UHFFFAOYSA-N 265.357 0.719 10 10 CCCE C[C@H]([C@H](O)Cc1ccc(N)cc1)S(=O)(=O)N(C)C 2029028123 VSPCRHPWFQDMSP-BXKDBHETSA-N 272.370 0.452 10 10 CCCE CN(C)[C@H]1CN(c2ccc(CN)c(F)c2)C[C@H]1O 2029431362 BHQGLDDKBXJWLP-QWHCGFSZSA-N 253.321 0.396 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)Nc1cnoc1 61684981 KIDWGDJJZIZZLZ-VIFPVBQESA-N 263.253 0.594 10 10 CCCE NCc1ccc(N2CCOC[C@@H](CO)C2)c(F)c1 2036934297 WWLNPEUFMVIBRR-LLVKDONJSA-N 254.305 0.730 10 10 CCCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)[C@H]2CCS2(=O)=O)CC1 2038004885 MXEIFUKRRLSEHS-RKDXNWHRSA-N 272.330 0.865 10 10 CCCE NN[C@H](c1ccccc1O)[C@@H]1CO[C@@H]2COC[C@H]21 2040328971 GUZFMWKQDFVDLC-XKAARJIMSA-N 250.298 0.558 10 10 CCCE NCc1cc(F)c(N2CCN3C[C@@H](O)C[C@@H]3C2)c(F)c1 405255026 KDSMGAXYHUXWRT-MNOVXSKESA-N 283.322 0.679 10 10 CCCE CN(CCOCCO)C(=O)[C@@H]1CNc2ccccc2N1 312676457 YOCDFTUPFIZNLI-ZDUSSCGKSA-N 279.340 0.360 10 10 CCCE CN(C)c1ccc(CNS(=O)(=O)c2c[nH][nH]c2=N)cc1 2160479776 IGUJUWBHZPEMJG-UHFFFAOYSA-N 295.368 0.367 10 10 CCCE CS(=O)(=O)NC1CN(CCCc2ccc(N)cc2)C1 702994267 GUFIBFKSLSXFAN-UHFFFAOYSA-N 283.397 0.435 10 10 CCCE CN(C(=O)CCc1ccc(N)cc1)[C@H]1COC[C@H]1O 709162329 VXADPOJGMLVIEH-QWHCGFSZSA-N 264.325 0.420 10 10 CCCE C[C@@H]1C[S@](=O)CCN1C[C@H](O)COc1ccc(N)cc1 2171966521 WBKRHPLHTFIWFY-POEZALAKSA-N 298.408 0.461 10 10 CCCE C[C@H](C(N)=O)N(C)CC(=O)N(C)c1ccc(N)cc1 711114370 KHRDNICPRQCAMD-SECBINFHSA-N 264.329 0.037 10 10 CCCE CN1CCc2cc(N3C[C@@H](N)C[C@H](C(N)=O)C3)ccc21 2163074356 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C[C@H]1CC[C@H](NC(=O)c2ccc(O)c(O)c2)CN1 235636354 NTGPJZYMMZPKOG-WPRPVWTQSA-N 250.298 0.968 10 10 CCCE CC(=O)N(C(=S)N(C=O)CCCN)c1ccc(N)cc1 244535905 ZVUIRSCDIWJKFS-UHFFFAOYSA-N 294.380 0.714 10 10 CCCE CC[C@](C)(NCc1ccc(O)c(O)c1O)C(N)=O 385359581 FJEMSVDPRVDJKH-LBPRGKRZSA-N 254.286 0.547 10 10 CCCE CNC(=O)[C@H]1CCN(S(=O)(=O)Cc2ccc(N)cc2)C1 398525761 VJVCDMCUIHRSLS-NSHDSACASA-N 297.380 0.167 10 10 CCCE N[C@@]1(C(=O)O)CCN(c2ccc3c(c2)OCCCO3)C1 2162632555 RZRMUSBBMNZULT-AWEZNQCLSA-N 278.308 0.840 10 10 CCCE OCCO[C@]1(CNCc2cc(F)ccc2O)CCOC1 826942650 RRQNFJWGKCKYMI-AWEZNQCLSA-N 285.315 0.789 10 10 CCCE CC(=O)C(=O)COC(=O)[C@H]1C[C@]12C(=O)Nc1ccccc12 909964228 PURUDJIKMFNKBH-MEBBXXQBSA-N 287.271 0.598 10 10 CCCE CNC(=O)[C@@H](C)N(C)c1ccc(CO)c([N+](=O)[O-])c1 2132057172 ALJUHEKEXRSDDE-MRVPVSSYSA-N 267.285 0.658 10 10 CCCE Cn1nncc1CNC(=O)NCc1c(O)cccc1F 922495648 BKWINEPXHUZTIN-UHFFFAOYSA-N 279.275 0.659 10 10 CCCE C[C@H](O)c1ccc(N2C[C@@H](O)C[C@@]2(C)CO)cc1O 698158139 RMWSVDOVRFFKGG-CHIMOYNISA-N 267.325 0.768 10 10 CCCE CN1CC[C@H](C(=O)N2Cc3cccc(O)c3C2)C1=O 871204423 IRMHNUAGBPOTOV-JTQLQIEISA-N 260.293 0.713 10 10 CCCE NC(=O)c1cccc(N)c1N[C@@H]1CN[C@@H]2CCC[C@H]12 1876453504 LSMTYTUVQDZLGW-XXILOJSOSA-N 260.341 0.920 10 10 CCCE NC[C@@H]1COC[C@@H]1NC(=O)CCc1ccc(N)cc1 1876452052 UZUHFOIWPAKPOE-YPMHNXCESA-N 263.341 0.291 10 10 CCCE Nc1ccc(OCC(=O)N[C@@H]2[C@@H]3CCCN[C@H]32)cc1 1876443849 WOIHXPXRCDLTOH-MRVWCRGKSA-N 261.325 0.514 10 10 CCCE C[C@@H]1C[C@H](N)CN(C(=O)COc2ccc(N)cc2)C1 1876449325 OFXHCUJDNPQCRC-PWSUYJOCSA-N 263.341 0.843 10 10 CCCE O=C(c1cccc(O)c1O)N1CCO[C@@H]2COC[C@H]21 1877611670 HHMRTOPAQVERBJ-MWLCHTKSSA-N 265.265 0.338 10 10 CCCE O=C(NCCc1nnc2n1CCC2)c1cccc(O)c1O 790090790 RNCXROWBDRFRLU-UHFFFAOYSA-N 288.307 0.608 10 10 CCCE Nc1ccc(OCC(=O)N2CC[C@H]3COC[C@@H]32)cc1 1899112500 OAVBBBWGPDALIK-GWCFXTLKSA-N 262.309 0.895 10 10 CCCE COc1cc2c(c(O)c1OC)[C@@H](c1ncn[nH]1)NCC2 75823081 VJZIRWBEPYLOCI-JTQLQIEISA-N 276.296 0.763 10 10 CCCE CC[C@@H](O)c1ccc(N2CC(O)(C(=O)OC)C2)cc1 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CC(C)(O)CCNS(=O)(=O)Cc1ccc(N)cc1 310849671 OFMXEMSTSAGQHV-UHFFFAOYSA-N 272.370 0.849 10 10 CCCE O=C(O)[C@@H]1C(=O)NCC[C@H]1c1ccc(O)c(O)c1 96883128 FZEGQUUZLDNNCS-XVKPBYJWSA-N 251.238 0.402 10 10 CCCE CCCNCc1ccc(N2C[C@@H](CO)[C@@H](O)C2)cc1 316971919 PNLVEKRGSDGZOI-ZFWWWQNUSA-N 264.369 0.976 10 10 CCCE Oc1ccc(CNCCN2CCC(O)CC2)c(O)c1 321447775 ZNFAYPFDEXFZLF-UHFFFAOYSA-N 266.341 0.644 10 10 CCCE COc1cccc(CN2C[C@H](OC)[C@H](C(=O)O)C2)c1O 702041041 VWIDCVMJPYDBIZ-PWSUYJOCSA-N 281.308 0.932 10 10 CCCE COc1ccc(O)c(CN2C[C@H](OC)[C@H](C(=O)O)C2)c1 690068634 ONBAGDGZNNFGMH-YPMHNXCESA-N 281.308 0.932 10 10 CCCE C[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1ccc(O)c(O)c1 712277818 UFIANABEJBWASF-CBAPKCEASA-N 285.321 0.261 10 10 CCCE C[C@@]1(CO)CCN(S(=O)(=O)Cc2ccc(N)cc2)C1 381220824 QFTARNMPJILAKD-CYBMUJFWSA-N 284.381 0.803 10 10 CCCE CO[C@@H]1COCC[C@@H]1NC(=O)c1ccc(O)c(O)c1 389168954 GRDQUNDXJLUJKZ-JOYOIKCWSA-N 267.281 0.632 10 10 CCCE C[C@@H](NCCCc1nn[nH]n1)c1ccc(O)cc1O 392596960 UIRCOCRGGXZWBR-MRVPVSSYSA-N 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COC12CC(C1)N(C[C@H](O)COc1ccc(N)cc1)C2 2185464252 UTZDDSWYRNRWHG-OWYJLGKBSA-N 278.352 0.872 10 10 CCCE NC1(CC(=O)C(=O)C[C@H]2C[C@H](N)C2)CCOCC1 2049783942 CWUFLLXYXJJKJV-MGCOHNPYSA-N 254.330 0.150 10 10 CCCE COC(=O)[C@]1(N)C[C@H](NC(=O)Nc2ccc(N)cc2)C1 2191503305 QAPIJJBGFKRQFC-MJHDQNEOSA-N 278.312 0.423 10 10 CCCE NCc1ccc(N2C[C@@H]3OC(=O)N[C@@H]3C2)cc1F 2056816202 OOVCFGXDQBWUMT-MNOVXSKESA-N 251.261 0.581 10 10 CCCE NCCO[C@@H]1CCN(S(=O)(=O)Cc2ccc(N)cc2)C1 2191764647 XUWJBMXVFVZLRD-CYBMUJFWSA-N 299.396 0.148 10 10 CCCE Nc1ccc(OCCS(=O)(=O)N2N[C@H]3CC[C@H]2C3)cc1 2191761345 NCEKPAPGZKEGRJ-RYUDHWBXSA-N 297.380 0.719 10 10 CCCE C[C@@H](O)c1ccc(N2CC(=O)NC[C@H]2C)cc1O 2060843192 PXWPEHXUCIMLFJ-RKDXNWHRSA-N 250.298 0.770 10 10 CCCE CO[C@@H]1C[C@H]1CNC(=O)COc1ccc(N)cc1 2067899953 GWYMQVNOCZZLET-JOYOIKCWSA-N 250.298 0.799 10 10 CCCE C[C@@H](O)c1ccc(N2CC[C@H](O)[C@H](O)C2)c(F)c1 2068405263 FCTKKCSIUOIHTC-OXHMUOHRSA-N 255.289 0.811 10 10 CCCE C[C@H](CNC(=O)c1cc(O)c(O)c(O)c1)C(N)=S 2068617359 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COc1cc(Cl)cc(CN[C@@H]2CN(C)C[C@H]2O)c1O 2090333803 LVDUSUZJAVNEHC-GHMZBOCLSA-N 286.759 0.819 10 10 CCCE CCN(Cc1c(C)cccc1O)[C@@H]1CC(=O)NC1=O 2114733267 VINMZUVKSRXVJR-LLVKDONJSA-N 262.309 0.938 10 10 CCCE CNCc1ccc(N2C[C@H](O)[C@@H](O)C2(C)C)cc1OC 2204542052 VVHYVHWIEPWIJM-GXTWGEPZSA-N 280.368 0.735 10 10 CCCE Cc1cc(N2C[C@H]3C[C@H]2[C@@H](O)[C@H]3O)ccc1[C@H](C)N 2269660162 JNOIHLOJLIWOKU-GHBALNIRSA-N 262.353 0.945 10 10 CCCE O=C(NC[C@@H]1CCC2(CCC2)N1)c1cc(O)nc(O)c1 2233860330 KXRXZOVOVBQHCK-JTQLQIEISA-N 277.324 0.897 10 10 CCCE NCc1cc(F)c(N2C[C@H]3COC[C@@]3(CO)C2)c(F)c1 2234557256 ABUJLQUBFMJSFE-HZMBPMFUSA-N 284.306 0.869 10 10 CCCE CC1(C)COc2ccc(N3C[C@H](O)[C@H](O)[C@@H]3CO)cc21 2235045981 OSLGMGKQECTSRE-SGMGOOAPSA-N 279.336 0.259 10 10 CCCE OC[C@]1(O)CCN(c2ccc3c(c2)CCCC3)C[C@@H]1O 2235102340 XCBIQPXITUNJGR-JKSUJKDBSA-N 277.364 0.860 10 10 CCCE COc1ccc(N2C[C@@H]3C[C@H](C2)[C@@H](O)[C@H]3O)c(CO)c1 2236003818 UTQLFMYWYFHGLC-LMHVJCSRSA-N 279.336 0.365 10 10 CCCE 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C[C@H](C(N)=O)N(C)c1ccc(OCCN(C)C)cc1 1884043542 AJCUVBNEYDZMFU-LLVKDONJSA-N 265.357 0.937 10 10 CCCE Nc1ccc(NC(=O)NCCCCc2nn[nH]n2)cc1 708238193 ZEZKAXTZGZJKAR-UHFFFAOYSA-N 275.316 0.926 10 10 CCCE Cn1ncc([C@@H](NCCCN=[N+]=[N-])C(N)=O)c1Cl 712405158 ZTOUXCUTDNUZJR-SSDOTTSWSA-N 271.712 0.890 10 10 CCCE CNCc1ccc(N(C)C[C@H](O)CN(C)C)c(F)c1 690221551 IUVGVFZPVUCDSC-GFCCVEGCSA-N 269.364 0.904 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3C[C@H]4COC[C@@H]4C3)ccc21 718244768 OARDVRGHDOWATQ-RVBZMBCESA-N 259.309 0.721 10 10 CCCE CC[C@@H](NC(=O)c1ccc(O)c(O)c1)C(=O)NC 697360456 ZTINEGBGBFURBI-MRVPVSSYSA-N 252.270 0.352 10 10 CCCE N=c1[nH]cc(C(=O)Nc2ccc(O)cc2C(=O)O)o1 2116233531 IBKKNZPIHHAADN-UHFFFAOYSA-N 263.209 0.743 10 10 CCCE O=S1(=O)C[C@H]2[C@H](CNCc3cc(F)ccc3O)[C@H]2C1 2117982597 NOJPAZDALSMRCD-CNDDSTCGSA-N 285.340 0.912 10 10 CCCE COc1ccc(O)c([C@@H](C)NC(=O)[C@]2(O)CCOC2)c1 1545683974 GIIQOBZMVSUAKB-OTYXRUKQSA-N 281.308 0.729 10 10 CCCE CON(C)C(=O)CNC(=O)c1ccc(N=NC(N)=O)cc1 1626788346 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COc1ccc(N2C[C@H](C)NC[C@@H]2CO)c(OC)c1 251769132 UYNPBMYDJNVUCO-WDEREUQCSA-N 266.341 0.863 10 10 CCCE C[C@H](NC(=O)CN1CCOCC1)c1ccccc1O 827969142 IFHHVTFLEQOUTI-NSHDSACASA-N 264.325 0.902 10 10 CCCE C[C@H](CC(=O)O)N(C)C(=O)c1cc(O)c(O)c(O)c1 2132348092 DSVDRZYQEIZUMN-ZCFIWIBFSA-N 269.253 0.739 10 10 CCCE CNC[C@H]1CCCN1C(=O)c1cc(O)c(O)c(O)c1 2132412219 BFQRJWOADNYRIT-SECBINFHSA-N 266.297 0.627 10 10 CCCE CC(C)S(=O)(=O)N(C)CC(=O)N(C)c1ccc(N)cc1 1913468345 KUCYTGUOHPIIGJ-UHFFFAOYSA-N 299.396 0.902 10 10 CCCE CCO[C@H]1CNCC[C@@]1(NCCCN=[N+]=[N-])C(=O)OC 1912158603 YRGJYKYZWLEXJB-JQWIXIFHSA-N 285.348 0.587 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN(CCC(=O)NC(N)=O)C1 1912176488 ZTNVQGIHPOKKOW-MRVPVSSYSA-N 254.294 0.594 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN(S(=O)(=O)N2CCOCC2)C1 1912159233 FQHRQJYOMGITCN-SNVBAGLBSA-N 289.361 0.586 10 10 CCCE Cc1cc(=NC(=O)CN2CC[C@H](N=[N+]=[N-])C2)[nH]o1 1912201249 RLANKUDODLQEEL-QMMMGPOBSA-N 250.262 0.728 10 10 CCCE CNC(=O)[C@@H]1CCN(c2ccc(CO)c(OC)c2)C1 2139699543 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O=S1(=O)C[C@H](c2ccc(Cl)cc2O)NCCN1 1952453185 VPIGYYHTYMDZPU-SECBINFHSA-N 276.745 0.609 10 10 CCCE Nc1ccc(CC(=O)N2CCN3C(=O)OC[C@H]3C2)cc1 1970576352 QTJRHHVXUSXWHY-GFCCVEGCSA-N 275.308 0.474 10 10 CCCE NC[C@@H]1C[C@H]2OCC[C@H]2N1C(=O)c1cccc(O)c1O 2146638260 LAAHPDNSWSFSJR-MKPLZMMCSA-N 278.308 0.429 10 10 CCCE O=C1Nc2cc(N3C[C@H](CO)C4(CC4)C3)ccc2[C@H]1O 2144101641 QOHLWOUGXBHYEH-NOZJJQNGSA-N 274.320 0.881 10 10 CCCE CN1CCc2cc([C@@H](O)[C@H](N)c3cn(C)nn3)ccc21 2147857961 KBQXOJRJWUUGIF-ZIAGYGMSSA-N 273.340 0.541 10 10 CCCE C[C@H]1CO[C@@H](CO)CN1CCOc1ccc(N)cc1 167838566 TVTOGOJKYYDSEU-SMDDNHRTSA-N 266.341 0.729 10 10 CCCE Cc1cc(NS(=O)(=O)c2cnn(C)n2)ccc1O 2027816489 VUDYRFJHYGSQCI-UHFFFAOYSA-N 268.298 0.630 10 10 CCCE C[C@@H](N[C@H]1CC(=O)NC1=O)c1cc(O)ccc1O 2034957457 LNRGNEKPSLBHLN-MUWHJKNJSA-N 250.254 0.164 10 10 CCCE NC[C@@H]1C[C@@H](CNC(=O)Cc2ccc(O)c(O)c2)CO1 2159116029 CUWJTKWVEUTSNA-QWRGUYRKSA-N 280.324 0.120 10 10 CCCE O=C1NC(=O)[C@H]2CN(c3ccc(CO)cc3F)CC[C@@H]12 2158790442 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COc1ccc(N(CCO)CC(=O)O)c([N+](=O)[O-])c1 389009337 SCJHBBUSTOALRM-UHFFFAOYSA-N 270.241 0.487 10 10 CCCE CN1C(=O)C[C@H](N[C@@H]2CCc3cccc(O)c32)C1=O 389178066 PZPZEYPFVAILAB-ZJUUUORDSA-N 260.293 0.726 10 10 CCCE COC(=O)[C@](C)(NCCN=[N+]=[N-])[C@@H]1CCCNC1 722088990 VRSJYNCCXNHBCS-MWLCHTKSSA-N 255.322 0.818 10 10 CCCE CN1CC[C@H](C(=O)Nc2ccc(O)c(O)c2)C1=O 2062253151 XDRUGTUIDGQMOL-MRVPVSSYSA-N 250.254 0.515 10 10 CCCE Cn1[nH]c(=NCCc2ccc(O)c(O)c2)nc1C(=O)O 2173188993 JLJCRRVHBBZJLH-UHFFFAOYSA-N 278.268 0.001 10 10 CCCE Nc1ccc(OCCCN2C[C@@H]3NC(=O)O[C@H]3C2)cc1 2176925717 BRORLOBEAPNQIP-STQMWFEESA-N 277.324 0.830 10 10 CCCE COC(=O)c1cn(-c2ccc(O)c(O)c2)nc1O 2070598407 OVZBISNKVOBNPH-UHFFFAOYSA-N 250.210 0.776 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCCC1COC1 2167500837 GRPXETKKPBOJBA-NSHDSACASA-N 280.324 0.120 10 10 CCCE O=C1Nc2cc(N3C[C@@H]4[C@@H](CO)C[C@H]4C3)ccc2[C@H]1O 2174300208 DWNCOMBZUIAYCY-OPGJCSGMSA-N 274.320 0.737 10 10 CCCE C[C@H](C(=O)Nc1ccc(N)cc1)N1CCN(C)[C@H]2C[C@@H]21 2168367909 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COCCS(=O)(=O)CCN1CCC[C@@H]1CN=[N+]=[N-] 2059053413 MMPPOFBJLJDALP-SNVBAGLBSA-N 276.362 0.822 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@H]2CC[C@H]3CNC[C@@H]32)cc1 2191695526 RGHMTCCFTZHWAO-FPMFFAJLSA-N 295.408 0.686 10 10 CCCE CCNC1CN(S(=O)(=O)Cc2ccc(N)cc2)C1 2071701818 OQWJBYXIXDUWCN-UHFFFAOYSA-N 269.370 0.392 10 10 CCCE Cc1cc(CN)ccc1N1CC[C@](C)(O)[C@@H](O)C1 2077298273 DTGMTZAURQHXPV-KBPBESRZSA-N 250.342 0.776 10 10 CCCE Cc1cc(N2CC[C@H](O)[C@@](C)(O)C2)ccc1CO 2081765594 HRWUEHCIJVHQPA-KBPBESRZSA-N 251.326 0.809 10 10 CCCE COCCN1CC[C@@H](NCc2cccc(O)c2O)C1 2103765208 KFFRUFQDUFWNMU-GFCCVEGCSA-N 266.341 0.908 10 10 CCCE COc1cccc(O)c1CN[C@@H]1CO[C@@H]2COC[C@@H]12 2104438277 JTCGJAUGHXBZPJ-MISXGVKJSA-N 265.309 0.904 10 10 CCCE [N-]=[N+]=N[C@@H]1CCCN(S(=O)(=O)N2CCC[C@H]2CO)C1 2105535843 DNQKNCSFTGOVQG-ZJUUUORDSA-N 289.361 0.463 10 10 CCCE CS(=O)(=O)[C@@H]1COC[C@@H]1Nc1c(N)cccc1F 2086310215 PFRWDLWLTYZBIK-VHSXEESVSA-N 274.317 0.632 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1C[C@@H]2C[C@H](C[C@@H]2O)C1 2107285833 MGSFFEAZTAALID-QRTLGDNMSA-N 263.293 0.941 10 10 CCCE CO[C@H]1CNCC[C@H]1NC(=O)c1ccc(O)c(O)c1 2090581894 AYAWUORHEHUTAG-SKDRFNHKSA-N 266.297 0.205 10 10 CCCE O=C1CN(C(=O)c2ccc(O)c(O)c2)[C@H]2CC[C@H]2N1 2112063179 VLFKQRZXWJTHOE-BDAKNGLRSA-N 262.265 0.201 10 10 CCCE CO[C@@H]1CN(C)C[C@H]1NCc1ccc(O)c(O)c1O 2095434168 LCFPURLOMPUSEL-MWLCHTKSSA-N 268.313 0.222 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3C[C@H](O)C(F)(F)C3)ccc21 2095744338 SEDBISFLLUYPQC-VHSXEESVSA-N 269.251 0.455 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N3CC(CCO)C3)ccc21 2095988547 KTSIWCXEGONLFX-CYBMUJFWSA-N 261.325 0.718 10 10 CCCE N[S@](=O)(=NCCc1ccc(O)c(O)c1)N1CCCC1 2097963324 UTEWUKFZAAQIOV-IBGZPJMESA-N 285.369 0.993 10 10 CCCE O=C(NCc1ccccc1O)[C@@H]1CN2CCN1CC2 2099542658 IVIQSNXPROKPPG-LBPRGKRZSA-N 261.325 0.008 10 10 CCCE CC(C)N(C)S(=O)(=O)Nc1ccc(O)c(N)c1 2214994016 KESYTPTYBFVSNX-UHFFFAOYSA-N 259.331 0.971 10 10 CCCE [N-]=[N+]=N[C@H]1CCC[C@H]1NC(=O)CN1CSCC1=O 2218742039 FASFQLASDLYOHQ-SFYZADRCSA-N 269.330 0.867 10 10 CCCE [N-]=[N+]=NCCCCN1CCN2C(=O)COC[C@@H]2C1 2221284070 FYLLRNJZTHVTOC-JTQLQIEISA-N 253.306 0.620 10 10 CCCE CSc1ncc(CNS(=O)(=O)[C@H](C)C(=O)O)s1 2248615695 WUAOYPPHZQSXIY-RXMQYKEDSA-N 296.395 0.758 10 10 CCCE CCC1(OC(=O)[C@@H](N)Cc2ccc(O)c(O)c2)COC1 2288511566 MRCIVFINMFOSGS-JTQLQIEISA-N 281.308 0.690 10 10 CCCE Cc1cc(N2CCOC[C@@H]2C(N)=O)ccc1[C@H](C)N 2269664541 BPYZRUMKZBASDD-GXFFZTMASA-N 263.341 0.705 10 10 CCCE Nc1ccc(OCC(=O)N[C@@]23CO[C@@H](C2)[C@H](N)C3)cc1 2281186006 LFJDJMYNHOLWHJ-MBNYWOFBSA-N 277.324 0.023 10 10 CCCE NCCCC[C@H](NC(=O)c1ccc(O)c(O)c1)C(=O)O 2289593054 LYBIRWHMHDHRAN-VIFPVBQESA-N 282.296 0.410 10 10 CCCE CC1=NN(c2ccccc2)C(=O)C1=CN=c1nn[nH][nH]1 2296975906 FBSDCTWSBXDHAF-UHFFFAOYSA-N 269.268 0.340 10 10 CCCE C[C@@H](c1ccc(O)cc1O)N(CCO)CCC(=O)O 2342685598 CVZBESUQIIFHJN-VIFPVBQESA-N 269.297 0.928 10 10 CCCE CSc1cc(N2CCN(C)[C@@H](CO)C2)ccc1CN 2353858399 JVECWXGDIOBNEG-CYBMUJFWSA-N 281.425 0.980 10 10 CCCE CCOC(=O)NCCNC(=O)Nc1cc(O)c(O)c(O)c1 217279013 CTTXMJDHTOUAJE-UHFFFAOYSA-N 299.283 0.671 10 10 CCCE C[C@H](O)CCN(C)CC(=O)Nc1ccc(N)cc1 135524459 ACCAJVKZATZESG-JTQLQIEISA-N 251.330 0.910 10 10 CCCE COc1ccc(O)c(CN2CCN([C@@H](C)C(=O)O)CC2)c1 86754061 LMIACZHVQVTLKP-NSHDSACASA-N 294.351 0.992 10 10 CCCE CCOC(=O)N[C@@H](C(=O)OCC(=O)C(C)=O)C(C)C 808502337 FJTBJVKCHJMLKE-SNVBAGLBSA-N 273.285 0.458 10 10 CCCE COC(CNC(=O)[C@@H](C)Oc1ccc(N)cc1)OC 1860082645 QGLJTZAIHKUJQH-SECBINFHSA-N 268.313 0.771 10 10 CCCE C[C@H](c1ccccc1O)N(C)C(=O)C1(CN)COC1 2131425818 UHFOETBUPMLYBL-SNVBAGLBSA-N 264.325 0.887 10 10 CCCE CCOC(=O)C(=O)[C@@H](N)c1c(O)cc(F)c(F)c1F 725274824 KSLKRCFIBPPJCS-VIFPVBQESA-N 277.198 0.942 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1C[C@H]2CC[C@@H](O)C[C@H]2C1 691465837 UQUMXGAQZHOHSA-DVVUODLYSA-N 278.308 0.726 10 10 CCCE COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C)N)C2)cc1 851665446 BDRMPQHYRXCSFA-RYUDHWBXSA-N 292.383 0.920 10 10 CCCE Nc1ccc(NC(=O)NCC2(O)CCOCC2)cc1 1876148071 CLVDUDQTBBGAKD-UHFFFAOYSA-N 265.313 0.932 10 10 CCCE O=C(O)[C@H](F)C1(O)CN(Cc2ccccc2O)C1 1875538413 KPRHGKXZKCUDED-JTQLQIEISA-N 255.245 0.362 10 10 CCCE Nc1ccc(N2CCOC[C@]23CNCCOC3)cc1 1876363501 ANJIAAOTBSNYQQ-CQSZACIVSA-N 263.341 0.464 10 10 CCCE CN(C1[C@H]2CNC[C@H]12)S(=O)(=O)Cc1ccc(N)cc1 1876533468 PZNUEFMUWYWTQK-RYUDHWBXSA-N 281.381 0.248 10 10 CCCE C[C@H](O)c1cc(F)c(N2CC(CO)(CO)C2)c(F)c1 1880490487 PBMSBXFASVMOQI-QMMMGPOBSA-N 273.279 0.809 10 10 CCCE CC(=O)N[C@H]1CCN(c2cc3c(cc2N)OCCO3)C1 133571559 ILERZPVHCBOEQM-JTQLQIEISA-N 277.324 0.755 10 10 CCCE Cn1ncc(CCC(=O)NCc2cccc(O)c2O)n1 1153797903 HMQNNCLDPJIBCG-UHFFFAOYSA-N 276.296 0.475 10 10 CCCE Cn1cc(CNCc2ccccc2O)c(=O)n(C)c1=O 134235566 PAQRGVWBGRXVMQ-UHFFFAOYSA-N 275.308 0.079 10 10 CCCE CN[C@@H](C)c1nnc([C@@H](N)c2ccc(O)c(O)c2)o1 83463244 ZSBRQFKGJUATTO-WKEGUHRASA-N 264.285 0.809 10 10 CCCE OCc1cn(Cc2ccc(N3CCNCC3)cc2)nn1 77009939 HOMCFGDNPDHHAE-UHFFFAOYSA-N 273.340 0.228 10 10 CCCE C[C@H]1CN(C(=O)c2cc(O)nc(O)c2)C[C@@H]1CN 708874347 HKXPPUDQXJDRDT-CBAPKCEASA-N 251.286 0.160 10 10 CCCE CN(C[C@H]1CCC[C@H]1O)C(=O)c1cc(O)nc(O)c1 689197386 LAPLUPQXGXICAC-PSASIEDQSA-N 266.297 0.726 10 10 CCCE C[C@H](c1cc(O)ccc1O)N1CCN(C)[C@H](C(=O)O)C1 686095260 CWMWFTZFQNOYST-SKDRFNHKSA-N 280.324 0.859 10 10 CCCE COC(=O)[C@@]1(NCCN=[N+]=[N-])C[C@H]2CC[C@@H](N2)[C@H]1C 686156631 OLCXIRNJOOSHHP-DNRKLUKYSA-N 267.333 0.959 10 10 CCCE COc1ccc(N2CCCC[C@@H]2CS(N)(=O)=O)c(N)c1 694891338 PHHXEYLIYRWEIL-SNVBAGLBSA-N 299.396 0.925 10 10 CCCE COC[C@H](COC[C@H](O)COc1ccc(N)cc1)OC 695672920 CZKPSPKZFXDFRT-GXTWGEPZSA-N 285.340 0.687 10 10 CCCE NCc1cc(F)c(N2C[C@@H](O)C[C@@H]2CO)c(F)c1 698183708 VHPYQQWFYLGCNK-BDAKNGLRSA-N 258.268 0.355 10 10 CCCE NC(=O)[C@@H]1CC[C@H](C(=O)NCc2c(O)cccc2F)O1 1456027751 FYLTVIMPXDRIDH-WDEREUQCSA-N 282.271 0.180 10 10 CCCE C[C@H]1CN2CCN1C[C@@H]2C(=O)NCc1c(O)cccc1O 1645362711 AGOFRQSBRREBAU-CMPLNLGQSA-N 291.351 0.102 10 10 CCCE O=C(NCC12CC(CO)(CO1)C2)c1cccc(O)c1O 1965313447 DBUCCAAARARZKR-UHFFFAOYSA-N 279.292 0.369 10 10 CCCE CN(C)c1ccc(CNC(=O)CO[C@@H]2CCNC2)cc1 1964621719 JBQCFMKMJKFSAX-CQSZACIVSA-N 277.368 0.747 10 10 CCCE C[C@H](O)[C@H]1CCN(CC(=O)c2ccc(O)c(O)c2)C1 162146989 GRQMUOFERRPGDU-ONGXEEELSA-N 265.309 0.983 10 10 CCCE O=C(O)/C=C/c1ccc(N2CC(=O)NC(=O)C2)c(Cl)c1 164391984 WLRDRWYKERRPIH-DUXPYHPUSA-N 294.694 0.901 10 10 CCCE CNC(=O)[C@H]1COCCN1C(=O)CCc1ccc(N)cc1 159178969 NQBJCFLLQZRBGM-CYBMUJFWSA-N 291.351 0.175 10 10 CCCE C[C@@H]1CN(c2ccc3c(c2)OCO3)CCN1CCN 216987631 NNFFAIQCHVLFPG-LLVKDONJSA-N 263.341 0.885 10 10 CCCE C[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)CC[C@H]1N 2132414166 UNWOJIVXNVBYAM-VXNVDRBHSA-N 266.297 0.613 10 10 CCCE CC1(C)CN(C(=O)c2cc(O)nc(O)c2)C[C@@H]1CN 1913115299 PWPXIQTVLKDFHK-VIFPVBQESA-N 265.313 0.550 10 10 CCCE CCNCc1ccc(N2CC(CO)(CO)C2)cc1C 1914988918 PZKTZBSTUGITJW-UHFFFAOYSA-N 264.369 0.896 10 10 CCCE NC(=O)N1CC(NCc2c(O)cccc2Cl)C1 1917774992 CGZGEBJWWQRWJR-UHFFFAOYSA-N 255.705 0.898 10 10 CCCE C[C@@H]1CCN(CC(=O)N(C)c2ccc(N)cc2)[C@@H]1CO 226909498 XJQDRFWRHATKHE-BXUZGUMPSA-N 277.368 0.934 10 10 CCCE 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CN1CCCc2cc(CNC(=O)[C@H](O)C(C)(C)O)ccc21 900433816 REUXORWZBXWJAY-AWEZNQCLSA-N 292.379 0.817 10 10 CCCE COC(=O)c1ccc(CC(=O)OCC(=O)C(C)=O)cc1 837877028 GTZONPWAHYRNDZ-UHFFFAOYSA-N 278.260 0.717 10 10 CCCE CC(=O)N1CCO[C@H](C(=O)Nc2ccc(N)cc2)C1 911661562 XACCHVOONYDAAY-LBPRGKRZSA-N 263.297 0.455 10 10 CCCE COC(=O)C12CC(C(=O)OCC(=O)C(C)=O)(C1)C2 830521026 GPDHAOBRIPIXIS-UHFFFAOYSA-N 254.238 0.031 10 10 CCCE C[C@H](NC(=O)C(=O)NCCCN)c1ccc(N(C)C)cc1 842202260 HDWJNTNCPHIROV-NSHDSACASA-N 292.383 0.395 10 10 CCCE COCCONC(=O)NCc1c(O)cccc1F 922249255 HNKSLDRNFLBTJE-UHFFFAOYSA-N 258.249 0.909 10 10 CCCE Nc1cc2c(cc1N1C[C@H]3C[C@H]1[C@H]3N)NC(=O)CO2 1876384474 KCIONMQTTAZCJN-FZTXSHAMSA-N 260.297 0.136 10 10 CCCE CO[C@@H]1CN(C(=O)CCc2ccc(N)cc2)C[C@@H]1N 1876495638 RCQYVMHZOSALEQ-QWHCGFSZSA-N 263.341 0.386 10 10 CCCE O=C(NCc1cccc(O)c1O)c1cnncc1O 1153797492 AHJJJKSTUJYOOF-UHFFFAOYSA-N 261.237 0.523 10 10 CCCE Oc1c(F)cc(F)cc1CN[C@@H]1CCOC[C@@H]1O 708393499 GEEPWMIULNXRTP-MNOVXSKESA-N 259.252 0.910 10 10 CCCE CNCc1ccc(N(C)Cc2nnn(C)n2)cc1C 1892990514 AAWXALPEOUGAPH-UHFFFAOYSA-N 260.345 0.874 10 10 CCCE CCn1nnc(CNCc2cccc(OC)c2O)n1 1893040559 PSXOZGZYNCGXTH-UHFFFAOYSA-N 263.301 0.697 10 10 CCCE Cc1cccc(CNCCN(C)S(C)(=O)=O)c1O 692523018 MKJDHVPVFCFVIK-UHFFFAOYSA-N 272.370 0.682 10 10 CCCE CN(C)CCN(C)C(=O)C(=O)N1Cc2cccc(O)c2C1 1331939276 WHEDWNKSKZVFGW-UHFFFAOYSA-N 291.351 0.254 10 10 CCCE CN(C)c1ccc(CNC(=O)[C@H](N)CCC(=O)O)cc1 85842041 ZUWRUWXMNSRFOE-GFCCVEGCSA-N 279.340 0.561 10 10 CCCE COc1cccc(O)c1CN1CC[C@H](NC(N)=O)C1 770383159 TYQRHRXEGOPFGK-VIFPVBQESA-N 265.313 0.643 10 10 CCCE C[P@]1(=O)C[C@@H](O)[C@H](NC(=O)Cc2ccc(N)cc2)C1 2121383718 HXSVBKOLXQJFGC-HNYWDRBLSA-N 282.280 0.664 10 10 CCCE CN1CCN(c2ccc3c(c2)OCO3)C[C@H]1CCO 250369677 HXBAIIDFGMQNOO-GFCCVEGCSA-N 264.325 0.918 10 10 CCCE CC(C)Oc1ccc(N2CC(=O)N[C@@H](CO)C2)cc1 259371363 VIVHTTXXRNTFQZ-LLVKDONJSA-N 264.325 0.771 10 10 CCCE N[C@@H]1CCCc2cc(N3C[C@@H](CO)[C@@H](O)C3)ccc21 2128275789 WSEBHHFBICQWGU-GLQYFDAESA-N 262.353 0.812 10 10 CCCE OC[C@H](O)[C@@H]1CCCN1c1ccc2c(c1)CC[C@@H]2O 2128317383 DQDDTXCJXOBLAT-KKUMJFAQSA-N 263.337 0.988 10 10 CCCE OC[C@@H]1CN(c2ccc3c(c2)CC[C@@H]3O)CC[C@@H]1O 2128315267 PYFKAXSCEHWNSF-CQDKDKBSSA-N 263.337 0.846 10 10 CCCE CC(C)(C)[C@H](O)CNC(=O)c1cc(O)c(O)c(O)c1 2132348614 OYQVBDDPGJIVNQ-SNVBAGLBSA-N 269.297 0.940 10 10 CCCE C[C@@H](N)C[C@@H](C)CNC(=O)c1cc(O)c(O)c(O)c1 2132399988 JKFSOYANPXGCDY-HTQZYQBOSA-N 268.313 0.907 10 10 CCCE N[C@]12CC[C@H]1CN(C(=O)c1cc(O)c(O)c(O)c1)C2 2132412288 BTLGHERISULSNS-SDBXPKJASA-N 264.281 0.367 10 10 CCCE COC(=O)NS(=O)(=O)N1CCCC[C@H](CN=[N+]=[N-])C1 1912174642 BWLVQLVBAVLAOJ-MRVPVSSYSA-N 291.333 1.000 10 10 CCCE [N-]=[N+]=N[C@@H]1CCN(C(=O)CN2CSCC2=O)C1 1912170132 SQJKUOLUFNQIQW-SSDOTTSWSA-N 255.303 0.431 10 10 CCCE COCC(COC)S(=O)(=O)N1CC[C@@H](CN=[N+]=[N-])C1 1912179676 SVWMQXLIUBYWNB-VIFPVBQESA-N 292.361 0.610 10 10 CCCE CCOC(=O)[C@@H](N)[C@@](C)(O)c1ccc(N(C)C)cc1 1917181797 JEBHEBMHPDYTLJ-OCCSQVGLSA-N 266.341 0.851 10 10 CCCE CCc1c(C(=O)NCc2cc(N)ccc2O)nnn1C 1923659135 GJUWDGCOSMQLIN-UHFFFAOYSA-N 275.312 0.595 10 10 CCCE Cn1ccc(CNC(=O)[C@@H]2CNc3ccccc3N2)n1 229883534 NVJCEOKHEBXPNC-ZDUSSCGKSA-N 271.324 0.943 10 10 CCCE C[C@]1(O)CN(c2c(F)cc(CO)cc2F)CC[C@H]1O 2136879298 PAUZYAJBUUBUSI-YPMHNXCESA-N 273.279 0.779 10 10 CCCE CO[C@H]1CN[C@@H](C(=O)NCc2cccc(C)c2O)C1 2139743284 IVDBUSYBZIRYFF-VXGBXAGGSA-N 264.325 0.694 10 10 CCCE COC1CC(N)(C(=O)NCc2cccc(C)c2O)C1 2139759088 WCCZZFRWTCOMKH-UHFFFAOYSA-N 264.325 0.823 10 10 CCCE C[C@@H]1CN(C)CCN1C[C@@H](O)COc1ccc(N)cc1 235481960 QSVRFDNHNRINIE-TZMCWYRMSA-N 279.384 0.644 10 10 CCCE NCc1ccc(N2C[C@@H](O)[C@H](O)C2)cc1C(F)(F)F 236232266 QNHNRXAHGGWGBX-GHMZBOCLSA-N 276.258 0.706 10 10 CCCE CNC[C@H](C)C(=O)NCCc1ccc(O)c(O)c1 1968738720 DRBBVMUHBYJOIA-VIFPVBQESA-N 252.314 0.612 10 10 CCCE COC[C@@H](O)CN(C)C(=O)CCc1ccc(N)cc1 42482478 SQKUTSRCKQYXLV-ZDUSSCGKSA-N 266.341 0.667 10 10 CCCE O=C(NC[C@H](C(=O)O)C(F)(F)F)c1cc(O)nc(O)c1 2144320607 SAEMYJSMLZCYPR-RXMQYKEDSA-N 294.185 0.486 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@H]2C[C@H]2CO)cc1 1995935055 JCKREYTWIBBALH-ONGXEEELSA-N 256.327 0.069 10 10 CCCE C[C@H](NC(=O)c1ccc(O)c(O)c1)[C@H]1CCS(=O)(=O)C1 2146115804 FVAKSJPQRANRCX-WPRPVWTQSA-N 299.348 0.651 10 10 CCCE C[C@@H](CN)CNS(=O)(=O)Cc1ccc(N)cc1 2016968934 DWGVGMCDPCWAIV-VIFPVBQESA-N 257.359 0.283 10 10 CCCE COCC[S@](=O)CCNCc1ccccc1O 2026090919 LCUYNTHVKXRANA-QGZVFWFLSA-N 257.355 0.877 10 10 CCCE [N-]=[N+]=N[C@H]1CCCN(C(=O)[C@H]2CN3CCN2CC3)CC1 2155754690 OCSHFLAXCKAICU-NWDGAFQWSA-N 278.360 0.678 10 10 CCCE C[C@@H](N)c1ccc(N(C)C2CS(=O)(=O)C2)cc1O 2034767337 BEJUVTBSTKXFIB-MRVPVSSYSA-N 270.354 0.645 10 10 CCCE O=C(CNCc1ccc(O)cc1O)NC1CCC1 2036440652 ALISYUYSOQYCJG-UHFFFAOYSA-N 250.298 0.856 10 10 CCCE C[C@H](NC[C@@H]1COC[C@@H]1O)c1c(O)cccc1O 2036566860 CJYAHVGQFROYTP-SBMIAAHKSA-N 253.298 0.756 10 10 CCCE OC[C@@H]1CO[C@H](CNCc2ccc(O)c(O)c2)C1 2039813681 MWLYYKUWAUAUJE-MNOVXSKESA-N 253.298 0.585 10 10 CCCE CO[C@@]1(CO)CCN(C(=O)COc2ccc(N)cc2)C1 403051495 LOYGDBPSLNAZTQ-AWEZNQCLSA-N 280.324 0.257 10 10 CCCE O=S(=O)(Nc1ccc(O)cc1)c1cnn(CCCO)c1 2157795823 NPUAYBOLEDKCKY-UHFFFAOYSA-N 297.336 0.772 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N(C)Cc3ncon3)ccc21 2160445213 GOIGGOJNWFLSLV-LBPRGKRZSA-N 273.296 0.919 10 10 CCCE C[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)C[C@@]1(C)C(=O)O 710162396 TXAZHNKUUPDFCY-FUXBKTLASA-N 280.280 0.676 10 10 CCCE C[C@@]1(CO)C[C@@H](O)CN1CCc1ccc(N)cc1 704688380 JPDZRSJHPQJSPP-KGLIPLIRSA-N 250.342 0.629 10 10 CCCE COc1ccc(CN[C@@H]2C[C@H](CO)[C@@H](O)[C@@H]2O)cc1C 2177944267 LCKBZIUUMDQSNN-QHSBEEBCSA-N 281.352 0.196 10 10 CCCE Cc1cc(NS(=O)(=O)[C@H]2CCNC2)ccc1O 687251514 CPDVWPDEBVGHLW-JTQLQIEISA-N 256.327 0.804 10 10 CCCE CN1CCc2cc([C@H](N)[C@@H](O)c3ncnn3C)ccc21 2163147069 XATWTDZZKKXIQJ-QWHCGFSZSA-N 273.340 0.541 10 10 CCCE C[C@H](NCCn1ncnn1)c1cc(F)ccc1O 380014149 CDSLFPNGOJKXIQ-QMMMGPOBSA-N 251.265 0.869 10 10 CCCE C[C@H]1[C@H](NCc2ccc(O)c(O)c2O)CCS1(=O)=O 381872101 NQUIYLPWBVJMQB-IONNQARKSA-N 287.337 0.469 10 10 CCCE C[C@@H]1[C@H](NC(=O)c2ccc(O)c(O)c2)CCS1(=O)=O 381867226 MXHHHKYOBUZGNO-VXNVDRBHSA-N 285.321 0.403 10 10 CCCE NC[C@H]1CC[C@@H](NC(=O)c2cc(O)nc(O)c2)C1 382321694 RDADMIOYFAYKEE-IONNQARKSA-N 251.286 0.350 10 10 CCCE C[C@@H](C(=O)Nc1ccc(N)cc1)N1CC2(COC2)C1 697116275 WBWYNPFTZNNHIG-JTQLQIEISA-N 261.325 0.928 10 10 CCCE C[C@H](O)C1CN(c2cc3c(cc2N)OCCO3)C1 719752545 BOJIQSPHANCKDA-QMMMGPOBSA-N 250.298 0.857 10 10 CCCE CC(C)(O)[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)CCO1 2174141116 NAIQXIDBTDIBAV-VIFPVBQESA-N 282.296 0.105 10 10 CCCE COc1ccc(N2CCN(C[C@](C)(O)CO)CC2)cc1 2168108561 MLCZAFYZMWZILR-HNNXBMFYSA-N 280.368 0.561 10 10 CCCE O=C(NC1C[C@H]2C(C(=O)O)[C@@H]2C1)c1ccc(O)c(O)c1 2169233363 CGZQNCDLBQNBRG-HLXSOGAOSA-N 277.276 0.937 10 10 CCCE O=[N+]([O-])c1cc(N2C[C@H](O)[C@H]3COC[C@H]32)ccc1CO 2188575953 KXNJVVKWBGLZJW-UHTWSYAYSA-N 280.280 0.283 10 10 CCCE CO[C@H]1C[C@@H](CO)N(c2ccc(CO)c([N+](=O)[O-])c2)C1 2188573988 MRJHYVNRTQAQKC-RYUDHWBXSA-N 282.296 0.673 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@H](CO)C2(CC2)C1 2188868483 RYNYNDZMDNKXIO-SECBINFHSA-N 279.292 0.648 10 10 CCCE CNCc1ccc(N2C[C@@H]3C[C@H](C2)[C@H](O)[C@H]3O)cc1C 2182547048 HXKXPPGDYQOFNA-XRGAULLZSA-N 276.380 0.892 10 10 CCCE Nc1ccc(OC[C@H](O)COCCn2ccnc2)cc1 2184452874 XERHBXVJAHWTMD-CYBMUJFWSA-N 277.324 0.922 10 10 CCCE CNCC[S@@](C)(=O)=NC(=O)c1cccc(O)c1O 2042954296 OGZQRJKNPQYXKB-GOSISDBHSA-N 272.326 0.555 10 10 CCCE COC(=O)CN(C)S(=O)(=O)Nc1ccc(N)cc1 2044144931 SSVYHRSWYYZXHN-UHFFFAOYSA-N 273.314 0.030 10 10 CCCE CNCc1ccc(N2CC[C@H]3OCC(=O)N[C@H]3C2)cc1 2185512329 KWMZZLHKGQPCIZ-UONOGXRCSA-N 275.352 0.500 10 10 CCCE C[S@](=O)CCCCNC(=O)c1ccc(O)c(O)c1 2047837889 FSNNIJMNQTUODK-SFHVURJKSA-N 271.338 0.986 10 10 CCCE NC[C@@H](F)C1CN(C(=O)c2ccc(O)c(O)c2)C1 2048041427 HRWSEQOSDHFJBU-SECBINFHSA-N 254.261 0.467 10 10 CCCE NC(=O)CN(Cc1ccc(N)cc1)C(=O)[C@@H]1C[C@H]1CF 2191395411 VBXCMVZYYWOWRP-CMPLNLGQSA-N 279.315 0.688 10 10 CCCE CON1CC[C@H](NC(=O)c2cccc(O)c2O)C1 2054400198 BPQNRNLPMDIRFE-QMMMGPOBSA-N 252.270 0.463 10 10 CCCE Nc1ccc(OCCC(=O)NCC2OCCCO2)cc1 2191649065 YTZMJFOGFMREBP-UHFFFAOYSA-N 280.324 0.917 10 10 CCCE Nc1ccc(CC(=O)N(C2CNC2)[C@@H]2CCOC2)cc1 2191711656 GNLPHLBELRFABD-CYBMUJFWSA-N 275.352 0.401 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CCC23CCNCC3)cc1 2191764121 QQBYUQVHFGFFGR-UHFFFAOYSA-N 295.408 0.927 10 10 CCCE CC[C@@H](CO)CNC(=O)c1cc(O)c(O)c(O)c1 2068577911 PULZOELUZDHIQP-SSDOTTSWSA-N 255.270 0.552 10 10 CCCE CC[C@H](N)CN(C)C(=O)COc1ccc(N)cc1 2071673304 PSXUNIIEGCDTRQ-JTQLQIEISA-N 251.330 0.843 10 10 CCCE Nc1ccc(OCC(=O)N2CCO[C@@H]3COC[C@@H]32)cc1 2192664658 PFPPCCNPOMMCJO-QWHCGFSZSA-N 278.308 0.274 10 10 CCCE Nc1cc2c(cc1N1CCO[C@H]3COC[C@@H]31)OCCO2 2192654209 BLUDWPRDFYYVFM-FZMZJTMJSA-N 278.308 0.644 10 10 CCCE O=[N+]([O-])c1cc(N2CCOCCOCC2)ccc1CO 2188577789 VJYMCYHTNRBLSR-UHFFFAOYSA-N 282.296 0.940 10 10 CCCE CN1CCc2cc(CN3C[C@@H](O)C[C@H]3C(=O)O)ccc21 2200879343 UCPWPFJKCXUHBP-JSGCOSHPSA-N 276.336 0.699 10 10 CCCE CN1C[C@H](N2CCCc3cc(CN)ccc32)[C@H](O)C1 2100719723 AIKPESSLYYFZCF-LSDHHAIUSA-N 261.369 0.573 10 10 CCCE O=C(O)[C@H]1CCO[C@@H]1C(=O)NCc1ccccc1O 2100805157 HUAVXBYCAPCTQQ-ONGXEEELSA-N 265.265 0.498 10 10 CCCE C[C@@H](c1cc(O)ccc1O)N1CC(O)(C(=O)O)C1 2081048511 CXCLVUFQJMHYCO-ZETCQYMHSA-N 253.254 0.290 10 10 CCCE C[C@H]1CNC(=O)C[C@@](NCCCN=[N+]=[N-])(C(N)=O)C1 2103927053 INMHGLXLXJUPNN-LDYMZIIASA-N 268.321 0.047 10 10 CCCE Cc1cccc(CNC(=O)[C@@H](C)S(C)(=O)=O)c1O 2084056653 KLJPLOKYKFNIJT-SECBINFHSA-N 271.338 0.750 10 10 CCCE OCc1cc(F)c(N2C[C@H]3C[C@H]2[C@@H](O)[C@H]3O)c(F)c1 2104412265 UATFJHBKQGOGIY-BWIZUMNXSA-N 271.263 0.387 10 10 CCCE O=C(O)C1[C@@H]2CN(C(=O)c3ccc(O)c(O)c3)C[C@@H]12 2087315416 MZVAWWHGIPHPAI-HTQZYQBOSA-N 263.249 0.500 10 10 CCCE CNC[C@H]1CCCN1C(=O)Cc1ccc(O)c(O)c1 2087728793 HFRBWSXVQQISIM-LLVKDONJSA-N 264.325 0.851 10 10 CCCE N[C@H]1C[C@H](O)CN(c2ccc3c(c2)OC(F)(F)O3)C1 2111799732 DPGFTQUETUGXAT-CBAPKCEASA-N 272.251 0.906 10 10 CCCE C[C@@H]1CCN(CCn2ccc3c(c2=O)CNCC3)C1 2094403985 FHZGJMYWHAPRAH-GFCCVEGCSA-N 261.369 0.836 10 10 CCCE Cc1ccc(O)c(CN2C[C@@H](C(N)=O)C[C@@H](N)C2)c1 2094663632 ULGYTLUPAFJYEB-NWDGAFQWSA-N 263.341 0.335 10 10 CCCE NCc1ccc(N2CCC([C@H](O)CO)CC2)cc1F 2096154440 HYEKLDCIRDHEDH-CQSZACIVSA-N 268.332 0.854 10 10 CCCE N[C@@H]1CN(Cc2ccc(O)cc2O)[C@]2(CCOC2)C1 2098271859 LWFPVFRZDLMJKI-SMDDNHRTSA-N 264.325 0.790 10 10 CCCE C[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)[C@@H]1C(=O)O 2099503013 RJYNWMXCEPBFJC-MADCSZMMSA-N 265.265 0.572 10 10 CCCE C[P@]1(=O)C[C@@H](O)[C@@H](NCc2ccc(O)c(O)c2O)C1 2121368008 KLVTYAWHYOOELN-STMWZDKPSA-N 287.252 0.629 10 10 CCCE COc1cc(N2CC[C@H]3C[C@H]2[C@H](O)[C@@H]3O)ccc1CN 2204537490 SOSUDRXUYZAXES-GGZSPTBLSA-N 278.352 0.474 10 10 CCCE COc1ccc(N2CCC[C@](O)(C(N)=O)C2)cc1 2219624195 ITBPVGQRMVULCW-CYBMUJFWSA-N 250.298 0.512 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)c2nc[nH]c2C(=O)O)C1 2225791639 GDNSMJYJJNGNAN-LURJTMIESA-N 264.245 0.880 10 10 CCCE COc1ccc(N2C[C@H](O)[C@@H]3COC[C@H]32)c(OC)c1 2226798820 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CS(=O)(=O)[C@@H](C(=O)NCc1ccccc1O)C1CC1 2335979650 VBQRIGOKDYWMAU-GFCCVEGCSA-N 283.349 0.832 10 10 CCCE CC[C@@]1(C)[C@@H](O)CCN1C(=O)c1cc(O)nc(O)c1 2336766215 HDKHWXYYAATROD-ZANVPECISA-N 266.297 0.868 10 10 CCCE CCOC(=O)C(=O)N1CCc2cc(O)c(O)cc2C1 2341145769 PAABQZVRXPYXNU-UHFFFAOYSA-N 265.265 0.546 10 10 CCCE Nc1ccc(CNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1893248535 BDUHXAMTFMMQIJ-NSHDSACASA-N 283.353 0.255 10 10 CCCE CS(=O)(=O)CCN1CCCc2cc(CN)ccc21 62801614 FLSAOBZQXSZGLA-UHFFFAOYSA-N 268.382 0.943 10 10 CCCE C[C@H]1CN(Cc2cc(N)ccc2O)C[C@H](C)S1(=O)=O 400829666 OENVUMVYQZBRHS-UWVGGRQHSA-N 284.381 0.982 10 10 CCCE Nc1cc2c(cc1N1CCC[C@](O)(CO)C1)OCCO2 313645398 MFTXDCMLNOXXNQ-CQSZACIVSA-N 280.324 0.364 10 10 CCCE CC[C@H](CO)NC(=O)[C@@H](C)Oc1ccc(N)cc1 1860081715 CUXPRIHZAJUKFJ-MWLCHTKSSA-N 252.314 0.923 10 10 CCCE CCC(CO)(CO)NCc1cc(OC)ccc1O 225928469 VEEYLVVWRKQYOX-UHFFFAOYSA-N 255.314 0.624 10 10 CCCE COc1cccc(CN2CCN([C@H](C)C(=O)O)CC2)c1O 86753542 AZUHWJPHMXWELK-LLVKDONJSA-N 294.351 0.992 10 10 CCCE Nc1ccc(CS(=O)(=O)Nc2cc[nH]n2)cc1 42413806 ZCPUBOFMTATYED-UHFFFAOYSA-N 252.299 0.934 10 10 CCCE COCCN(CCO)Cc1ccc(OC)cc1O 93006232 ILACUQBXCOJOSQ-UHFFFAOYSA-N 255.314 0.842 10 10 CCCE COC[C@@H](N)c1nc(-c2ccc(O)c(O)c2)no1 234694707 TZDUAZHCEBDDBN-SSDOTTSWSA-N 251.242 0.794 10 10 CCCE O=C(O)[C@H]1COCCN(Cc2ccc(O)cc2O)C1 700433989 LZUSYQOZAWSZCJ-SNVBAGLBSA-N 267.281 0.631 10 10 CCCE CN[C@@H](c1ccc(N(C)C)cc1)[C@@H](O)c1cn(C)nn1 2163137033 ZEEGZSRMLCWHNC-KBPBESRZSA-N 275.356 0.875 10 10 CCCE C[C@@H]1CNC[C@H]1NCc1cc2c(cc1O)OCO2 903960695 VFVOCEQIYRRESQ-PSASIEDQSA-N 250.298 0.818 10 10 CCCE Cc1ccc(C(=O)N(C)[C@H]2C[C@@H](C(N)=O)C2)c(O)c1O 863358309 XYEBONHRKGTESL-DTORHVGOSA-N 278.308 0.742 10 10 CCCE Nc1ccc(OCc2cn([C@@H]3CCNC3)nn2)cc1 864635691 SCGHHJXAEXTSOH-GFCCVEGCSA-N 259.313 0.974 10 10 CCCE CC(C)(O)CN1CC[C@H](NC(=O)c2cccc(O)c2O)C1 869779253 WEKNINVUANNHSQ-JTQLQIEISA-N 294.351 0.673 10 10 CCCE Nc1ccc(CC(=O)N2C(=O)C[C@@]23CCOC3)cc1 1876432489 UIRIHRWIUYBCPM-CQSZACIVSA-N 260.293 0.729 10 10 CCCE C[C@H](C(N)=O)N1CCNc2cc3c(cc21)OCCO3 76895659 JSIPPURPRUZSCW-MRVPVSSYSA-N 263.297 0.564 10 10 CCCE C[C@H](CNS(=O)(=O)Cc1ccc(N)cc1)[S@@](C)=O 165052367 PEXVTKXOPPPFFS-XLFHBGCDSA-N 290.410 0.455 10 10 CCCE Cc1ccc2c(c1)c(C[C@H](N)C(=O)O)cc(=O)n2C 84135593 KKCGTGHMZSRDNL-NSHDSACASA-N 260.293 0.801 10 10 CCCE CNCc1ccc(N2CCC[C@H](CO)[C@H]2CO)cc1 709813885 CECDDZZCNHCWLJ-UKRRQHHQSA-N 264.369 0.976 10 10 CCCE CN(C)c1ccc([C@@H](O)[C@@H]2CNCCS2(=O)=O)cc1 1892789321 VJHZOYKSNAYRST-QWHCGFSZSA-N 284.381 0.173 10 10 CCCE COc1c(O)nc(O)nc1C(=O)NCc1ccccc1O 1445973148 VSRYMBVQYKUVDF-UHFFFAOYSA-N 291.263 0.532 10 10 CCCE Cn1c(C(=O)NCc2ccc(O)c(O)c2)cnc1O 1465953054 BOACUSDXCWFRQI-UHFFFAOYSA-N 263.253 0.467 10 10 CCCE CCN[C@@H]1CC[C@H]1CNC(=O)c1cc(O)nc(O)c1 2116676675 XZUXKNCBFJTJOK-WCBMZHEXSA-N 265.313 0.611 10 10 CCCE COCCNCc1ccc(N(C)CC(=O)O)c(OC)c1 212682830 LIJXDLZWRVUMLB-UHFFFAOYSA-N 282.340 0.952 10 10 CCCE [N-]=[N+]=NCCCCN1CCOC[C@]2(COCCN2)C1 2117997780 XRAISVPJJDWGHY-GFCCVEGCSA-N 269.349 0.768 10 10 CCCE CN[C@@H](C1COC1)[C@H](O)c1ccc2c(c1)CCN2C 2121527754 VKIJANKQYXXPNR-LSDHHAIUSA-N 262.353 0.947 10 10 CCCE O=C(NCc1ccc(O)c(O)c1)c1cc(CO)on1 1635959418 IVCNLYVFNMKMEV-UHFFFAOYSA-N 264.237 0.508 10 10 CCCE Cc1onc(CO)c1C(=O)NCc1ccc(O)c(O)c1 1595596548 XTDCKDJAEFIJGM-UHFFFAOYSA-N 278.264 0.817 10 10 CCCE O=C(NCC[C@@H]1CCCN1)c1cccc(O)c1O 166673001 KJSZFAYVWIWRBX-VIFPVBQESA-N 250.298 0.970 10 10 CCCE C[C@@H](CN(C)C)NS(=O)(=O)Cc1ccc(N)cc1 168529919 VTBLGKJPWUUGGN-JTQLQIEISA-N 271.386 0.638 10 10 CCCE COc1ccc(N2CCO[C@@H](CO)C2)cc1OC 259266032 JQAFCPWLHQKVGM-LLVKDONJSA-N 253.298 0.901 10 10 CCCE CC1(C)[C@H](O)[C@@H](O)CN1c1ccc2c(c1)CC[C@H]2O 2128321196 HHNTYAPYNLYSPV-HZSPNIEDSA-N 263.337 0.987 10 10 CCCE COc1ccc(CN2C[C@@H](O)CC23CNC3)c(O)c1 2130059901 ACDNFUZFVOQLPA-NSHDSACASA-N 264.325 0.309 10 10 CCCE CN[C@H](C)CCCNC(=O)c1cc(O)c(O)c(O)c1 2132404408 RPUVCHYXFLDACC-MRVPVSSYSA-N 268.313 0.921 10 10 CCCE Cc1ccc(O)c(CNCC(=O)N2CCC[C@H]2C(=O)O)c1 1857868110 RMGHMZBARNVYFW-LBPRGKRZSA-N 292.335 0.866 10 10 CCCE Nc1ccc(CC(=O)NC2C[C@H]3CNC[C@@H]3C2)cc1 1967052595 SSQDYEPHARYANJ-RYUDHWBXSA-N 259.353 0.926 10 10 CCCE CCCNC(=O)CCNC(=O)c1ccc(O)c(O)c1 226958154 JCCDCIWHESIWAN-UHFFFAOYSA-N 266.297 0.744 10 10 CCCE COC[C@](C)(CO)CNCc1ccc(O)c(O)c1 1926978808 HPCPWKFSSYHHRF-ZDUSSCGKSA-N 255.314 0.832 10 10 CCCE C[C@]1(O)CN(CCOc2ccc(N)cc2)CC[C@H]1O 2136837127 WMVOJVXNYYHOEV-KGLIPLIRSA-N 266.341 0.465 10 10 CCCE O=C(O)[C@@]1(CO)CCCN1Cc1ccc(F)cc1O 2139756510 VIMROKYBKVMXSD-ZDUSSCGKSA-N 269.272 0.943 10 10 CCCE COCCNCc1ccc(N2C[C@@H](O)[C@H](O)C2)c(F)c1 234697141 FHUBZPVVSACEHL-ZIAGYGMSSA-N 284.331 0.104 10 10 CCCE N[C@H]1C[C@H](CC(=O)NCCc2ccc(O)c(O)c2)C1 1968738846 GHTDETSBNLBJKM-XYPYZODXSA-N 264.325 0.884 10 10 CCCE C[C@@H]1CN(c2ccc3c(c2)N(C)C(=O)[C@H]3N)CCN1C 251815085 ORNHXOOCOMCLKU-YGRLFVJLSA-N 274.368 0.803 10 10 CCCE N[C@H](Cc1ccc(O)c(O)c1)c1n[nH]cc1C(=O)O 1951702628 ZVFPGYFRILILPO-MRVPVSSYSA-N 263.253 0.762 10 10 CCCE CCOC[C@@H](O)COc1ccc(N2CCNCC2)cc1 148442859 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OC[C@H]1CO[C@H](CNCc2ccc(O)c(O)c2)C1 2039813682 MWLYYKUWAUAUJE-QWRGUYRKSA-N 253.298 0.585 10 10 CCCE C[S@@](=O)CCOC(=O)COc1ccc(N)cc1 400640918 PXPGBKLMRKSYTJ-QGZVFWFLSA-N 257.311 0.569 10 10 CCCE CCOc1cccc(CN[C@H]2COC[C@@H]2O)c1O 323903070 YVJFUJYONATFLR-QWRGUYRKSA-N 253.298 0.640 10 10 CCCE C[C@@H](C(=O)O)N1CCN(Cc2ccc(O)cc2O)CC1 86753346 MHKWLHIQOXCZRK-JTQLQIEISA-N 280.324 0.689 10 10 CCCE C[C@@H]1CN(C(=O)c2cccc(O)c2O)C[C@@H](CCO)O1 2179246605 DZQNJXYLLROOMA-NXEZZACHSA-N 281.308 0.710 10 10 CCCE COc1cccc(CN[C@@]23CC[C@@H](C2)[C@@H](O)[C@H]3O)c1O 2176918309 VIANIOKBOVKWPL-MOZUYYIMSA-N 279.336 0.765 10 10 CCCE O=S1(=O)CC(CNCc2cc(F)cc(F)c2O)C1 708388053 GKLVVJZIUOSBPI-UHFFFAOYSA-N 277.292 0.805 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N3CC(O)(C(F)F)C3)cc21 2172115728 UKDCELBELCPRPP-JTQLQIEISA-N 283.278 0.479 10 10 CCCE CN1CCN(CCCOc2ccc(N)cc2)[C@@H](CO)C1 699464121 SLXYRNGQHYDKQE-CQSZACIVSA-N 279.384 0.646 10 10 CCCE CN1CCc2cc([C@H](N)[C@@H](O)c3cnnn3C)ccc21 2163136781 WWVMDPVDMLJRQS-KBPBESRZSA-N 273.340 0.541 10 10 CCCE C[C@@H]1[C@H](CO)CCN1c1ccc2c(c1)NC(=O)[C@H]2N 385643382 KGNYUAVVKXXJFY-ZDMBXUJBSA-N 261.325 0.846 10 10 CCCE C[C@@H](NC(=O)COc1ccc(N)cc1)c1ncn(C)n1 391762642 JRPULCPURNDAKA-SECBINFHSA-N 275.312 0.654 10 10 CCCE C[C@@H](N[C@H]1CN(C)NC1=O)c1ccc(N(C)C)cc1 393924223 PFVMOMCEXQQNTA-MFKMUULPSA-N 262.357 0.748 10 10 CCCE CO[C@H]1CS(=O)(=O)C[C@@H]1Nc1c(C)cccc1N 829264129 OSEBUDCRLRTPGW-QWRGUYRKSA-N 270.354 0.801 10 10 CCCE O=C(N[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)O)c1cc(O)nc(O)c1 2174238450 SGOQQGXMXZNIJG-LURQLKTLSA-N 278.264 0.332 10 10 CCCE Nc1ccc(CCCN2CC3(CNS(=O)(=O)C3)C2)cc1 2176155289 MLXPOTGSNOJHKG-UHFFFAOYSA-N 295.408 0.436 10 10 CCCE C[C@@H](O)[C@H](NC(=O)c1cc(O)c(O)c(O)c1)C(F)(F)F 2195318866 BJNOBHZGEVXHKV-MOFOKWOHSA-N 295.213 0.845 10 10 CCCE CC1CC(CO)(CNC(=O)c2cc(O)c(O)c(O)c2)C1 2188867526 CBDFGNDZUASRSO-UHFFFAOYSA-N 281.308 0.942 10 10 CCCE Nc1ccc(NC(=O)[C@H]2OCC[C@H]2C(=O)O)cc1 2043945822 BKSKWWOBNHMPHQ-ZJUUUORDSA-N 250.254 0.697 10 10 CCCE COCCOCC[C@H](NCCCN=[N+]=[N-])C(N)=O 2046611918 PRCAJXHKPCHBEN-VIFPVBQESA-N 259.310 0.183 10 10 CCCE COc1cc(N)c(N2CC([S@](C)=O)C2)cc1OC 2051891831 JXMGUJJVAHOGNN-SFHVURJKSA-N 270.354 0.853 10 10 CCCE C[C@H](CNC(=O)c1ccc(O)c(O)c1)[C@@H](F)C(=O)O 2105541212 NYAFAAUINYJEEE-LHLIQPBNSA-N 271.244 0.886 10 10 CCCE CCN[C@H]1CCN(c2cc3c(cc2N)OCC(=O)N3)C1 2191598942 JJNQHQFVGIQAJT-VIFPVBQESA-N 276.340 0.788 10 10 CCCE NC[C@H]1C[C@H](CNS(=O)(=O)Cc2ccc(N)cc2)CO1 2191624408 KBDOUKLHBQOBFK-DGCLKSJQSA-N 299.396 0.052 10 10 CCCE CC(=O)[C@H]1CCN1C(=O)c1cc(O)c(O)c(O)c1 2068624481 PPKIHYZIEWHCFJ-MRVPVSSYSA-N 251.238 0.607 10 10 CCCE C[C@@H](c1ccccc1O)N1CCS(=O)(=O)[C@@H](C(=O)O)C1 2197714873 JQRHZZJOOAEMAO-JOYOIKCWSA-N 299.348 0.637 10 10 CCCE COC(=O)NCC1CN(C(=O)c2cccc(O)c2O)C1 2187286635 UDTBKIRLHRKBBO-UHFFFAOYSA-N 280.280 0.526 10 10 CCCE CN(C)C[C@@H](O)CNC(=O)Nc1ccc(N)cc1 2071563739 NLLZJPFCXWOKSO-NSHDSACASA-N 252.318 0.313 10 10 CCCE CN1C[C@H](O)[C@@H](N(C)Cc2ccc(N(C)C)cc2)C1 2100718711 BSXMKNNKRSYIAC-GJZGRUSLSA-N 263.385 0.859 10 10 CCCE COC(=O)[C@H](O)CNCc1ccc2c(c1)CCCO2 2104273087 DBAXFPSOGOMVMY-GFCCVEGCSA-N 265.309 0.635 10 10 CCCE CN(C)c1ccc([C@H](N)[C@@H]2CN3CCN2CC3)cc1 2106794767 ZQPCDHRGOUCYDG-GJZGRUSLSA-N 260.385 0.752 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CCC[C@@H]2NCC[C@H]21 2087391089 ZTXONKMITNIGJC-VHSXEESVSA-N 263.297 0.459 10 10 CCCE CCOc1cccc(CN[C@@H]2COC[C@@H]2CO)c1O 2090324105 GTPNXHYBTMXUDG-NWDGAFQWSA-N 267.325 0.888 10 10 CCCE COc1cc(N)c(N2C[C@@H]3C(CO)[C@H]3C2)cc1OC 2090739394 OJNTUOXXHVZOFJ-IUCAKERBSA-N 264.325 0.961 10 10 CCCE COCCNCc1ccc(OCCC(N)=O)c(C)c1 2098788451 OOWZFSQKTOMPFI-UHFFFAOYSA-N 266.341 0.985 10 10 CCCE [N-]=[N+]=N[C@H]1CCC[C@@H]1NS(=O)(=O)c1cnc[nH]1 2213591885 QWITVKGPVGRYCM-BQBZGAKWSA-N 256.291 0.919 10 10 CCCE N[C@H]1C[C@H](F)CN(C(=O)c2cccc(O)c2O)C1 2208663136 VTCQWNBIGNTJEP-YUMQZZPRSA-N 254.261 0.609 10 10 CCCE C[C@H](NS(=O)(=O)Cc1ccc(N)cc1)[C@H]1CCCN1 2271315951 RVBRXWRRMCCVPW-GXFFZTMASA-N 283.397 0.829 10 10 CCCE COC[C@@H]1[C@H](O)[C@@H](O)CN1c1c(F)cc(CO)cc1F 2233865281 HKJMTZNNDNTACE-MDZLAQPJSA-N 289.278 0.014 10 10 CCCE Cc1cc([C@H](C)O)ccc1N1CC(O)(C(N)=O)C1 2223977927 MDXACMLKIXKBBO-VIFPVBQESA-N 250.298 0.085 10 10 CCCE O=C(N[C@@H]1CCC[C@@H](O)[C@@H]1O)c1ccc(O)c(O)c1 2224346638 AWMHEMPVQQOCSU-HLUHBDAQSA-N 267.281 0.102 10 10 CCCE COc1ccc(N2CC[C@@H](OCCO)C2)c(CN)c1 2227683895 ZGGMGSVWMMYIJY-CYBMUJFWSA-N 266.341 0.742 10 10 CCCE COc1ccc(N2CCN(C(N)=O)CC2)c(CN)c1 2227678812 AHGOWZDDKSJVJU-UHFFFAOYSA-N 264.329 0.355 10 10 CCCE C[C@@H](CN1CCOCC1)NCCc1ccc(O)c(O)c1 2240735004 JSZNYKTURACJMT-LBPRGKRZSA-N 280.368 0.951 10 10 CCCE CO[C@H](C)C[S@](=O)CC(=O)Nc1ccc(N)cc1 2256527816 AZMZTJIRSUJIDR-LZVRBXCZSA-N 270.354 0.991 10 10 CCCE COc1ncc([C@H](NCCCN=[N+]=[N-])C(N)=O)cn1 2266809542 MDWGNMJEDKYYOP-QMMMGPOBSA-N 265.277 0.302 10 10 CCCE COc1ccc(N2C[C@@H]3OC[C@H](CO)O[C@@H]3C2)c(C)c1 2279774012 VZWKVIKCCDXHQW-AEGPPILISA-N 279.336 0.969 10 10 CCCE COc1ccc(N2C[C@H](O)[C@H](O)[C@H]2CO)c2c1CCC2 2284601249 ZGRPXEKLRCHMKJ-VNHYZAJKSA-N 279.336 0.087 10 10 CCCE CN1C(=O)NC(=O)C(=Cc2ccc(N(C)C)cc2)C1=O 2297314358 GFUZHTMFTUBOPD-UHFFFAOYSA-N 273.292 0.844 10 10 CCCE CSc1cc(N2C[C@H](O)C[C@H]2CO)ccc1CN 2328542668 AIVOYYZVEDOENR-NWDGAFQWSA-N 268.382 0.799 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@H]2C[C@@H]3C[C@H]2CN3)cc1 2341163936 WWEIGJQQWOXUPM-WCFLWFBJSA-N 281.381 0.439 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@]12CC[C@@H](C1)NC2 2343622118 XPUQMIKOCWXSKK-HZMBPMFUSA-N 262.309 0.651 10 10 CCCE Nc1ccc(CCCN2CC3(COC(=O)N3)C2)cc1 2351882568 DHDASHGREDXCNU-UHFFFAOYSA-N 261.325 0.996 10 10 CCCE O=C1NC(=O)C(=Cc2ccc([N+](=O)[O-])cc2Cl)C(=O)N1 59392120 ABZWQFOJIZEBOY-UHFFFAOYSA-N 295.638 0.998 10 10 CCCE C[C@H](O)c1ccc(N2CC[C@@](C)(O)[C@H](O)C2)cc1O 1893325480 OFFFMGVPZLAWNI-CUOATXAZSA-N 267.325 0.768 10 10 CCCE COc1ccc(N2CCN(CC[C@@H](N)C(N)=O)CC2)cc1 62437586 CDCDWCPSXKWHQM-CQSZACIVSA-N 292.383 0.020 10 10 CCCE CN(C)Cc1cc([C@@H]2CS(=O)(=O)CCN2)ccc1O 1952837652 AVOFECVPZDKWGN-LBPRGKRZSA-N 284.381 0.513 10 10 CCCE Nc1ccc(OC[C@H](O)CN2CCn3ccnc3C2)cc1 62245458 BDUINDHLLRMLBS-CYBMUJFWSA-N 288.351 0.721 10 10 CCCE O=C(O)[C@@H]1COCCN1Cc1ccc(O)cc1O 88381718 NZIXRMYBOPYCNH-JTQLQIEISA-N 253.254 0.383 10 10 CCCE CN(CCc1ccc(N)cc1)CCS(C)(=O)=O 94297277 HUJHYWBYROYKRV-UHFFFAOYSA-N 256.371 0.788 10 10 CCCE CC(=O)C(=O)COC(=O)c1cnn(CC(F)(F)F)c1 808540184 QWCFBLUNAPNHIL-UHFFFAOYSA-N 278.186 0.760 10 10 CCCE COc1ccc(CN[C@@H]2C[C@H]3C[C@H]2[C@H](O)[C@@H]3O)c(O)c1 2166418025 PBIISWXXIBBMPV-SYZWTGEBSA-N 279.336 0.621 10 10 CCCE CN[C@@H](C)c1ccc(N2C[C@@H](CO)[C@H](CO)C2)cc1O 704786937 XZEQXEDMTIZLNH-SRVKXCTJSA-N 280.368 0.710 10 10 CCCE CC(=O)C(=O)COC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 808492726 CNEKEMJUXDYTRK-JTQLQIEISA-N 293.250 0.953 10 10 CCCE Nc1cccc(C(=O)O)c1N[C@H]1CCCN(CCO)C1 2165031200 QDBDAMNPDGPSTD-JTQLQIEISA-N 279.340 0.836 10 10 CCCE COc1nn(C)cc1CNCc1ccc(O)c(O)c1O 2167901773 QSKZMPSKJQZQSJ-UHFFFAOYSA-N 279.296 0.835 10 10 CCCE COc1ccc(N2CC[C@H](O)[C@H](O)C2)c([N+](=O)[O-])c1 2132165526 MBIXJARNKBHHEF-NWDGAFQWSA-N 268.269 0.535 10 10 CCCE CCOC(=O)CNC(=O)Cc1ccc(O)c(O)c1 1544613014 AWKOIIPCOFQJRL-UHFFFAOYSA-N 253.254 0.320 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NC[C@H](O)C1CC1 1545430632 MIVDBPBKCYQTJW-LBPRGKRZSA-N 251.282 0.527 10 10 CCCE O=C1NN(c2ccccc2)C(=O)/C1=C/c1cn[nH]c1 751536558 VSTCSSJYFLFQLD-IZZDOVSWSA-N 254.249 0.871 10 10 CCCE COc1ccc(N2CC[C@H](N=c3nc[nH]n3C)C2)cc1 853761312 RUFRVPAXBODCKS-NSHDSACASA-N 273.340 0.936 10 10 CCCE Cn1cccc(C(=O)NCCc2ccc(O)c(O)c2)c1=O 762267786 RIWRMXASVDTPJR-UHFFFAOYSA-N 288.303 0.769 10 10 CCCE Nc1ccc(NC(=O)N[C@@H]2CNCC[C@@H]2CO)cc1 1876152167 BQYSMMHVNUCZNF-BXKDBHETSA-N 264.329 0.361 10 10 CCCE CNC[C@H]1CN(c2ccc3c(c2)OCCO3)CCO1 71596689 JXBBQIHFDUHCBG-LBPRGKRZSA-N 264.325 0.882 10 10 CCCE C[C@@H]1CN(c2cc3c(cc2N)OCC(=O)N3)C[C@H]1N 1876305039 WODSEQFSBXCSTG-VXNVDRBHSA-N 262.313 0.383 10 10 CCCE O=C(NC[C@@]1(CCO)CCOC1)c1c(F)ccc(O)c1O 789996970 WTVSQHNFEWEETO-CQSZACIVSA-N 299.298 0.756 10 10 CCCE C[C@@H](NC(=O)[C@@H](N)CCC(=O)O)c1ccccc1O 1877578372 LINOTRBMVHXUDX-SCZZXKLOSA-N 266.297 0.762 10 10 CCCE CNC(=O)NC(=O)CN(C)[C@H](C)c1ccccc1O 1877538101 KXPPOURNLAIRDN-SECBINFHSA-N 265.313 0.841 10 10 CCCE CC(=O)N[C@@H]1CCN(c2cc3c(cc2N)OCCO3)C1 133571336 ILERZPVHCBOEQM-SNVBAGLBSA-N 277.324 0.755 10 10 CCCE Cc1cccc([C@H](N)C(=O)NC[C@H]2CCCO2)c1O 83478176 WUCGJACKJHJJML-PWSUYJOCSA-N 264.325 0.996 10 10 CCCE Nc1ccc(CC(=O)N[C@@H]2CCO[C@H]2C(=O)O)cc1 703168496 ZRRGWROPFKGHMX-ZYHUDNBSSA-N 264.281 0.170 10 10 CCCE C[C@H](NCc1ccc(Br)cc1O)[C@H](O)CO 705187655 QCRWESWINROPGN-WRWORJQWSA-N 290.157 0.986 10 10 CCCE CC1(C)OCCO[C@@H]1[C@@H](NCCCN=[N+]=[N-])C(=O)O 1889142461 ULRYXUJLHRLRIC-RKDXNWHRSA-N 272.305 0.924 10 10 CCCE CN(CC(F)F)C(=O)C(=O)N1Cc2cccc(O)c2C1 1329352189 GACUGHKEUMOHFC-UHFFFAOYSA-N 284.262 0.958 10 10 CCCE O=C1NC(=S)S/C1=C/c1cn(C[C@@H]2CCOC2)nn1 1329708249 ATIIEITVXQDNHB-FHYFFISESA-N 296.377 0.803 10 10 CCCE CN(C)C[C@H](O)CN(C)c1ccc2c(c1)NC(=O)[C@H]2O 690318425 UTIWGDMJFYKPOR-GWCFXTLKSA-N 279.340 0.031 10 10 CCCE CN(c1ccc(CN)cc1Cl)[C@@H]1COC[C@@H]1O 709418288 BQFXHSKDXGKBNH-NEPJUHHUSA-N 256.733 0.995 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@]23CCNC[C@H]2C3)cc1 1892508476 OBOHUFNRZZTARG-YPMHNXCESA-N 281.381 0.440 10 10 CCCE Cn1c(O)nnc1CNCc1cccc(F)c1O 692192390 XFXVQPDQZZTEIC-UHFFFAOYSA-N 252.249 0.655 10 10 CCCE COc1ccc(CNC(=O)NCc2n[nH]c(C)n2)c(O)c1 1251441553 JVMAYMBZJDSIBA-UHFFFAOYSA-N 291.311 0.827 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCc1c[nH]cn1 88751008 SWMFETRQYGHPRZ-JTQLQIEISA-N 276.296 0.007 10 10 CCCE C[P@]1(=O)C[C@H](O)[C@@H](NC(=O)Cc2ccc(N)cc2)C1 2121383719 HXSVBKOLXQJFGC-SYTFOFBDSA-N 282.280 0.664 10 10 CCCE O=C(C[C@@H]1C=CS(=O)(=O)C1)NCc1c(O)cccc1O 1558535578 KHLDJUIAQDVPFF-VIFPVBQESA-N 297.332 0.662 10 10 CCCE Cn1nncc1C(=O)NCc1ccc2cccnc2c1O 1630532420 KYRYKYUBIDYCFG-UHFFFAOYSA-N 283.291 0.999 10 10 CCCE CCONC(=O)CNC(=O)/C=C/c1ccc(O)c(O)c1 1640758329 NRFZFAGPQRTMHG-GQCTYLIASA-N 280.280 0.295 10 10 CCCE NCc1ccc(N2CC3(C2)OC[C@@H](O)[C@H]3O)cc1Cl 2127250280 ICJBPGDETGOJJV-VXGBXAGGSA-N 284.743 0.110 10 10 CCCE CCC[C@@H](NS(=O)(=O)Cc1ccc(N)cc1)C(N)=O 2129942022 CMNCNXIYJPNDBS-LLVKDONJSA-N 285.369 0.342 10 10 CCCE N[C@@H]1CCCc2cc(N3C[C@@H](O)C[C@H]3CO)ccc21 2128272294 GAYCPBZECAQQGL-KCQAQPDRSA-N 262.353 0.955 10 10 CCCE CN(Cc1nnnn1C)c1ccc2c(c1)CC[C@H]2N 2128329212 UAKYSNIIZREEEX-GFCCVEGCSA-N 258.329 0.793 10 10 CCCE O[C@@H]1CN(c2ccc3c(c2)CC[C@H]3O)[C@@H]2COC[C@@H]12 2128315004 MYMDVSGYTAAKQM-KBUPBQIOSA-N 261.321 0.862 10 10 CCCE Oc1ccc(CN2CCO[C@@H]3CCNC[C@@H]32)cc1O 2129072323 QAGBLAAUUIQNDV-SMDDNHRTSA-N 264.325 0.661 10 10 CCCE COC[C@@](C)(CO)NC(=O)Cc1ccc(O)c(O)c1 1648747026 RONAQEFXYCIYGA-CYBMUJFWSA-N 269.297 0.154 10 10 CCCE Nc1cc2c(cc1N1C[C@H]3COC[C@@H]31)NC(=O)CO2 2129796559 HPBQCMANOFOSFP-CPCISQLKSA-N 261.281 0.435 10 10 CCCE CC[C@@H]1NCC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2132402602 ZRDBDGYULNODGP-DTWKUNHWSA-N 266.297 0.674 10 10 CCCE CN(C)c1ccc(CN2CCN[C@@H]3COC[C@@H]32)cc1 2132558106 CYQHBWUMWYDBMU-CABCVRRESA-N 261.369 0.925 10 10 CCCE Nc1ccc(-n2ccc(C(=O)NOCCO)n2)cc1 2133832885 RLKYZEIDUZWOFJ-UHFFFAOYSA-N 262.269 0.108 10 10 CCCE CC(=O)[C@H](NC(=O)CN(C)CCN=[N+]=[N-])C(C)C 1912151526 INZRLASQWZHZAT-LLVKDONJSA-N 255.322 0.958 10 10 CCCE [N-]=[N+]=NCCN[C@]1(C(=O)O)C[C@@H]2CCCCN2C1 1912147024 GPGZSGWHZNEOGG-GXSJLCMTSA-N 253.306 0.968 10 10 CCCE CCCS(=O)(=O)N(C)CC(=O)N(C)c1ccc(N)cc1 1913461835 MUOREIDFFLFMIN-UHFFFAOYSA-N 299.396 0.903 10 10 CCCE CC(=O)c1cc(Cl)cc(CN2CC(O)(C(N)=O)C2)c1O 1915319671 MKILRXHEQBDPTB-UHFFFAOYSA-N 298.726 0.280 10 10 CCCE CN1C[C@@H](NC(=O)c2ccc(O)c(O)c2)CCC1=O 226997889 RTBYLLSAOGHMFP-VIFPVBQESA-N 264.281 0.448 10 10 CCCE CN(C)[C@H]1COC[C@H]1Nc1c(N)cccc1C(N)=O 1922028982 CHWPJGAFPSRFJW-MNOVXSKESA-N 264.329 0.109 10 10 CCCE Nc1ccc(CN(C2CC2)S(=O)(=O)C2COC2)cc1 1923172347 IJMPSDSPKRDIAV-UHFFFAOYSA-N 282.365 0.962 10 10 CCCE CC1(C)CNC[C@H](CNC(=O)c2cccc(O)c2O)O1 1926467733 ZCHPJWKAMUICMR-SECBINFHSA-N 280.324 0.595 10 10 CCCE COCCOC[C@H](O)CN(C)c1ccc(CN)cc1 1967636740 ZFDGDYKPUVANNG-CQSZACIVSA-N 268.357 0.605 10 10 CCCE COc1ccc(O)c(CNC[C@H]2CCS(=O)(=O)N2)c1 1967799123 WKXFUUGZKISLPA-SNVBAGLBSA-N 286.353 0.182 10 10 CCCE Nc1ccc(N2C(=O)NC3(CCOCC3)C2=O)cc1 127680050 PSCFZNHMZKYGKL-UHFFFAOYSA-N 261.281 0.874 10 10 CCCE CO[C@@H]1CCNC[C@@H]1C(=O)N(C)Cc1ccccc1O 1968856664 AOHAXFWBZYKWOM-GXTWGEPZSA-N 278.352 0.975 10 10 CCCE O=C(CN1C[C@@H]2CC[C@H](O)[C@H]2C1)c1ccc(O)c(O)c1 252870599 OFKDMQPHQONLPU-SRVKXCTJSA-N 277.320 0.983 10 10 CCCE O=S(=O)(C[C@@H]1CCCN1)Nc1ccc(O)cc1 258018726 PRAVMHLMDLFWFY-JTQLQIEISA-N 256.327 0.886 10 10 CCCE Oc1c(F)cc2c(c1CN1CCNCC1)OCO2 258572886 IBWFUADDKNBZRK-UHFFFAOYSA-N 254.261 0.665 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)[C@@H]1[C@H]2CCNC[C@@H]21 2148014286 AJCVDTFWARNQBZ-COPLHBTASA-N 276.336 0.612 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@@H]3OCCO[C@@H]3C2)cc1 2149766454 RIRODHJHWMWAPY-BETUJISGSA-N 298.364 0.198 10 10 CCCE NC(=O)[C@@H]1CCCN1CCCOc1ccc(N)cc1 36671499 HJTYTKCCZRNQHY-ZDUSSCGKSA-N 263.341 0.987 10 10 CCCE CN(CCCO)S(=O)(=O)Nc1ccc(O)cc1 1996138207 RBVLWUCTYMOQLQ-UHFFFAOYSA-N 260.315 0.363 10 10 CCCE COc1c(NCc2cc(N)ccc2O)nc[nH]c1=O 164532710 JAVFFJDLDMJLLL-UHFFFAOYSA-N 262.269 0.678 10 10 CCCE CNCc1ccc(N2CC[C@H](N3CC(O)C3)C2)c(F)c1 2158750274 CSDYJZIVUSKZOH-LBPRGKRZSA-N 279.359 0.800 10 10 CCCE Nc1ccc(OCC(=O)OC[C@H]2COCCCO2)cc1 2154017276 PGVKBLPPSLPLNZ-CYBMUJFWSA-N 281.308 0.996 10 10 CCCE Nc1ccc(NC(=O)CN2CCOC[C@@H](CO)C2)cc1 2154457502 SVWPULBTTDMEBK-LLVKDONJSA-N 279.340 0.148 10 10 CCCE CN(CC(=O)NC1CC1)CC(=O)c1ccc(O)c(O)c1 49934127 SKDIPOVZMXJCDD-UHFFFAOYSA-N 278.308 0.491 10 10 CCCE Cn1nncc1S(=O)(=O)Nc1ccc(O)c(F)c1 2027817927 HOIIPNCTWGLMGK-UHFFFAOYSA-N 272.261 0.461 10 10 CCCE Cc1cc(CO)ccc1N1C[C@H](N(C)C)[C@H](O)C1 2029433020 HISOHOWOBKFHPZ-UONOGXRCSA-N 250.342 0.598 10 10 CCCE O=C1Nc2cc(N3CC[C@H]3CO)c(Cl)cc2[C@@H]1O 2031674302 BJNIEQRQNLSSHO-KGFZYKRKSA-N 268.700 0.897 10 10 CCCE C[C@@H](NC(N)=O)C(=O)N(C)Cc1ccc(N)cc1 2031615990 ODOSNVKPRHIJHN-MRVPVSSYSA-N 250.302 0.284 10 10 CCCE Nc1cc2c(cc1N1C[C@H](O)[C@@H](F)C1)OCCO2 2031873511 VFIMHOPGLQTEAN-XVKPBYJWSA-N 254.261 0.559 10 10 CCCE CC[C@H](NC(=O)COc1ccc(N)cc1)C(=O)N(C)C 2156454566 PWKSFEWSLBTEGR-LBPRGKRZSA-N 279.340 0.631 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CCCNCCC1 2035151595 QACGZQQAWRHANL-UHFFFAOYSA-N 250.298 0.923 10 10 CCCE O=C(O)CN1CCCN(Cc2ccc(O)c(O)c2)CC1 86760984 GRGRTJKMTVZLDT-UHFFFAOYSA-N 280.324 0.690 10 10 CCCE NC(=S)[C@@H]1CCN(C(=O)c2ccc(O)c(O)c2)C1 703776941 NCWKCTNVPJRKLS-MRVPVSSYSA-N 266.322 0.846 10 10 CCCE CN(C(=O)[C@@H]1CNc2ccccc2N1)[C@H]1COC[C@H]1O 709341743 BGKPSWHQCSLIJT-RWMBFGLXSA-N 277.324 0.111 10 10 CCCE Cc1cc(N(C)CCN(C)CCO)ccc1CO 691249597 KGUKKJXXBMBDBN-UHFFFAOYSA-N 252.358 0.848 10 10 CCCE COC1(C)CN(S(=O)(=O)Cc2ccc(N)cc2)C1 382898647 APNQSVVVSVXNLQ-UHFFFAOYSA-N 270.354 0.819 10 10 CCCE COCC1(O)CN(c2ccc(OC)cc2[N+](=O)[O-])C1 383965656 GYOPPSUJWUHDCF-UHFFFAOYSA-N 268.269 0.801 10 10 CCCE Nc1ccc(C[C@@H](O)c2cncc3ncnn23)cc1 719240356 ODOBENXTXMIIFE-GFCCVEGCSA-N 255.281 0.983 10 10 CCCE C[C@H](CNCc1cc(F)ccc1O)c1nn[nH]n1 392599363 IQRIFOCIPUWGTN-SSDOTTSWSA-N 251.265 0.938 10 10 CCCE CN(C1COC1)C1CN(c2ccc(CN)c(F)c2F)C1 2173118814 RETZWLYLPULKOK-UHFFFAOYSA-N 283.322 0.943 10 10 CCCE C[C@H]1NC(=O)CC[C@@H]1NC(=O)c1ccc(O)c(O)c1 393310705 RAQADNWOEFWBQM-APPZFPTMSA-N 264.281 0.495 10 10 CCCE CN(C)c1ccc([C@H](NN)C2[C@H]3CS(=O)(=O)C[C@H]23)cc1 2174587074 VHDNRCVZAPOUPQ-OBJOEFQTSA-N 295.408 0.548 10 10 CCCE O=C(c1cccc(O)c1O)N1CCn2ncc(O)c2C1 2168340890 CJNZCBOSURYZDF-UHFFFAOYSA-N 275.264 0.656 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CCO[C@H]4COC[C@@H]43)ccc21 2192664753 PRSSYSAOEANBCZ-AVGNSLFASA-N 275.308 0.243 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CC[C@H](O)[C@@H](O)C3)c(Cl)cc21 2188641278 XAWCEGKVFGPYEK-SRVKXCTJSA-N 297.742 0.224 10 10 CCCE NC[C@@H]1C[C@H]2CN(C(=O)c3cc(O)c(O)c(O)c3)C[C@@H]12 2188911796 FVBZHISWPCZRIH-GUBZILKMSA-N 278.308 0.470 10 10 CCCE Nc1ccc(-n2ccc(C(=O)NC[C@H]3CCO3)n2)cc1 2189486412 NRTDNAYLKBWPPY-GFCCVEGCSA-N 272.308 0.973 10 10 CCCE N[C@@H]1CCc2cc(N3CCN4C(=O)NC[C@@H]4C3)ccc21 2184727707 QSWQTZQEICMKNH-TZMCWYRMSA-N 272.352 0.846 10 10 CCCE 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COc1ccc(N2CCCCC2(CO)CO)c(N)c1 2089868166 NGZTWTPTHJUBKP-UHFFFAOYSA-N 266.341 0.991 10 10 CCCE CN[C@@H](C)c1ccc(N2CC(OCCO)C2)cc1O 2095970150 WABHJVMTJOQCTM-JTQLQIEISA-N 266.341 0.870 10 10 CCCE Nc1ccc(OCCN2CC(n3ccnn3)C2)cc1 2113837461 BFGIAVVOXMSVBF-UHFFFAOYSA-N 259.313 0.796 10 10 CCCE CNCc1ccc(N(C)[C@H]2CC(=O)NC2=O)c(Cl)c1 2114726135 CDLZBKZODVAYCA-NSHDSACASA-N 281.743 0.911 10 10 CCCE CNCc1ccc(N(C)[C@H]2CC(=O)NC2=O)cc1Cl 2114726367 FNNCBVOTXQMOEK-NSHDSACASA-N 281.743 0.911 10 10 CCCE NCC1(CO)CCN(c2ccc3c(c2)OCCO3)CC1 2202902185 MXZDXILSGVMJDT-UHFFFAOYSA-N 278.352 0.995 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1[C@H]2CCNC[C@H]21 2203343907 RQWBRMGGHGCVQM-QJPTWQEYSA-N 276.336 0.612 10 10 CCCE Cc1cc([C@@H](C)O)ccc1N1CC(NS(C)(=O)=O)C1 2232099148 WCRLQIUDSXLSDK-SNVBAGLBSA-N 284.381 0.786 10 10 CCCE C[C@@H](CN(C)C)CN(CC(N)=O)Cc1ccc(N)cc1 2232807525 SWDRZXOPCVITDX-LBPRGKRZSA-N 278.400 0.754 10 10 CCCE Nc1ccc(OCC(=O)N2CC[C@H]3[C@H](C[C@H]3O)C2)cc1 2232888011 KNSKMVKVZYYLPZ-DDTOSNHZSA-N 276.336 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CN1C(=O)[C@H](O)c2ccc(N3C[C@@H]4C[C@@H](O)[C@H]3C4)cc21 2355624577 SMIMDGQFVDFAPU-OKVQYTGBSA-N 274.320 0.656 10 10 CCCE CNC(=O)Cn1cc(NC(=O)Cc2ccc(N)cc2)cn1 37770935 LGVXRZIEMYBRGO-UHFFFAOYSA-N 287.323 0.393 10 10 CCCE CN(Cc1ccc(N)cc1)[C@@H]1CCN(S(C)(=O)=O)C1 311616029 WKRCKPWQETYPKI-CYBMUJFWSA-N 283.397 0.735 10 10 CCCE CS(=O)(=O)NCCCNCc1cccc(O)c1O 230980304 OYAPKGTVAKUCEG-UHFFFAOYSA-N 274.342 0.127 10 10 CCCE CC(=O)c1ccc(O)c(CN2CC[C@H](C(N)=O)C2)c1 232459141 QSPQYZJPWADXAP-NSHDSACASA-N 262.309 0.902 10 10 CCCE CCN(N=Nc1nonc1OC)c1nonc1OC 252628238 SLLMOBZQBIQARH-UHFFFAOYSA-N 269.221 0.995 10 10 CCCE CC[C@](COC)(NC(=O)c1cccc(O)c1O)C(=O)O 381273042 DGCYTPDPAQFHQA-CYBMUJFWSA-N 283.280 0.707 10 10 CCCE COCc1nc(C(=O)N(C)Cc2ccccc2O)n(C)n1 853799390 PGUWMPZIEODAAN-UHFFFAOYSA-N 290.323 0.939 10 10 CCCE Nc1ccc(OCC(=O)N[C@@H]2CCN[C@@H]3C[C@@H]32)cc1 1876492239 WGGAAZGCXNGOFY-JHJVBQTASA-N 261.325 0.514 10 10 CCCE Nc1ccc(CC(=O)N(C2CNC2)C2COC2)cc1 1876488661 HZFQLSNTKBUUGT-UHFFFAOYSA-N 261.325 0.011 10 10 CCCE C[C@@H](O)c1cc(F)c(N2C[C@@H](O)C[C@H](O)C2)c(F)c1 1880481422 FLNFGSXLRNWAGY-JEZHCXPESA-N 273.279 0.950 10 10 CCCE O=C(O)[C@H](O)C[C@H]1NCCc2ccc(O)c(O)c21 83724677 WNTOGOAUYSHFRN-VXNVDRBHSA-N 253.254 0.120 10 10 CCCE C[C@@H]1CN(C[C@@H](O)COc2ccc(N)cc2)C[C@H]1CO 709418682 DNHZAPXFXJNVCH-MBNYWOFBSA-N 280.368 0.569 10 10 CCCE Nc1ccc(NC(=O)N2CCC[C@@H](CO)[C@@H]2CO)cc1 709816433 JKDVWGNXUUVIOV-GWCFXTLKSA-N 279.340 0.866 10 10 CCCE COC(=O)[C@]1(NCCN=[N+]=[N-])C[C@H]2CC[C@@H](N2)[C@H]1C 686156629 OLCXIRNJOOSHHP-BFLSOPEQSA-N 267.333 0.959 10 10 CCCE CN1CCO[C@H](COC(=O)Cc2ccc(N)cc2)C1 92060967 IJPJLMBCPTWYDB-ZDUSSCGKSA-N 264.325 0.685 10 10 CCCE COCc1n[nH]c(CNCc2cccc(OC)c2O)n1 1347357357 QSYSHRQXCQUNCA-UHFFFAOYSA-N 278.312 0.955 10 10 CCCE C[C@H]1CN(c2cc3c(cc2N)OCCO3)CC[S@@]1=O 2115323072 ZDSHTECMOZZNAH-UGZDLDLSSA-N 282.365 0.997 10 10 CCCE CCn1nncc1S(=O)(=O)NCC1(CN=[N+]=[N-])CC1 2117729781 YUXYOXIXTRIVAR-UHFFFAOYSA-N 285.333 0.667 10 10 CCCE 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COc1cccc(O)c1CNC[C@H]1CCN(C)C1=O 1967743357 OLUANVIRORNLRG-SNVBAGLBSA-N 264.325 0.969 10 10 CCCE OCc1cc(F)c(N2CC[C@@H](O)C[C@@H]2CO)c(F)c1 2136083604 WSVNQZAYQIIRIM-NXEZZACHSA-N 273.279 0.779 10 10 CCCE C[C@H]1CCN(C(=O)COc2ccc(N)cc2)C[C@@H]1O 230210067 SYHZLMZIBYMBOR-GWCFXTLKSA-N 264.325 0.877 10 10 CCCE Nc1ccc(OC[C@@H](O)CN2CC[C@H](CCO)C2)cc1 123065440 ZWGXAHGCESKLEI-OCCSQVGLSA-N 280.368 0.713 10 10 CCCE COc1cc(N2C[C@@H]3OCCO[C@H]3C2)ccc1CO 2139700219 HBIGJWCWQWBNIO-KBPBESRZSA-N 265.309 0.792 10 10 CCCE C[C@]1(C(N)=O)CCN(c2ccc([N+](=O)[O-])c(CO)c2)C1 235760413 GIHRZONQUHQKSA-ZDUSSCGKSA-N 279.296 0.789 10 10 CCCE C[C@@H](O)c1ccc(N(C)C2CS(=O)(=O)C2)cc1 1946846676 TUZHTWCDVAZCJL-SECBINFHSA-N 255.339 0.973 10 10 CCCE Cn1ncc(C(=O)O)c1[C@H](N)Cc1ccc(O)c(O)c1 1951943531 OGPLMQZPYLDKGC-SECBINFHSA-N 277.280 0.772 10 10 CCCE O[C@@H]1[C@H]2C[C@@H](NCc3ccc4c(c3)CCO4)[C@@H](C2)[C@H]1O 1974159606 ZIBDCKYFAQLZIX-GLKFPVFTSA-N 275.348 0.841 10 10 CCCE COC[C@H](CC(=O)O)NC(=O)Cc1ccc(O)c(O)c1 2149268184 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10 10 CCCE CCC[C@@H](NC(=O)c1ccc(O)c(O)c1)C(N)=O 2066395943 XPJKFJNOXIKFAH-MRVPVSSYSA-N 252.270 0.482 10 10 CCCE C[C@H](c1ccc(F)cc1O)N1C[C@@H](O)C[C@@H]1CN 2067390964 YDCWUGZPGJSHCK-IEBDPFPHSA-N 254.305 0.986 10 10 CCCE NCC1CC2(CCN2S(=O)(=O)Cc2ccc(N)cc2)C1 2191644202 UGHOJYYVMKHACS-UHFFFAOYSA-N 295.408 0.912 10 10 CCCE NC[C@H]1C[C@@H](CNS(=O)(=O)Cc2ccc(N)cc2)CO1 2191624411 KBDOUKLHBQOBFK-WCQYABFASA-N 299.396 0.052 10 10 CCCE CCn1cc(S(=O)(=O)N(C)c2ccc(N)cc2)c(=N)[nH]1 2191761529 UNDCJOSEDWLOHK-UHFFFAOYSA-N 295.368 0.723 10 10 CCCE CO[C@H]1CN(c2cc3c(cc2N)NC(=O)CC3)C[C@H]1N 2191787801 KSKVFDPUNMJGRQ-MFKMUULPSA-N 276.340 0.316 10 10 CCCE CN[C@H](c1ccccc1O)[C@H](O)[C@@H]1COCCO1 2076661960 ATWRVULLMXSICD-YNEHKIRRSA-N 253.298 0.429 10 10 CCCE C[C@@H]1CCNC(=O)[C@@H]1CNCc1cccc(O)c1O 2103040684 GCGCQHSYBVKOGK-MWLCHTKSSA-N 264.325 0.960 10 10 CCCE C[C@@H](O)c1ccc(N2C[C@H](O)[C@H](N(C)C)C2)c(F)c1 2089923936 RTSVPFZWFSSNKQ-FZQKWOKYSA-N 268.332 0.990 10 10 CCCE CCN(Cc1ccc(N)cc1)C[C@H]1CCS(=O)(=O)N1 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0.866 10 10 CCCE CN[C@H](C)c1ccc(N2CC[C@@](O)(CO)[C@H](O)C2)cc1 2234101537 SOSDOIJXGQQAJG-KCPJHIHWSA-N 280.368 0.261 10 10 CCCE Nc1ccc(OCCC(=O)N2C[C@@H](F)C[C@@H](O)C2)cc1 2234666774 JJXONYQMWLOZHE-CMPLNLGQSA-N 282.315 0.969 10 10 CCCE CN1CCc2cc(N3C[C@@]4(CO)C[C@]4(CO)C3)ccc21 2235129168 KZWFKLXEMLXDIP-HZPDHXFCSA-N 274.364 0.860 10 10 CCCE Cn1nc(C(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])ccc1=O 2225795318 MUQNUSFZLQBYIW-HTQZYQBOSA-N 262.273 0.742 10 10 CCCE COC[C@](CN)(Oc1ccc(N(C)C)cc1)C(=O)O 2229374060 PJZZOYDUVKJNAY-ZDUSSCGKSA-N 268.313 0.560 10 10 CCCE COC(=O)N[C@H](C)CNCc1ccc(O)c(O)c1 2261469162 JUMNOAKCQYGBJS-MRVPVSSYSA-N 254.286 0.932 10 10 CCCE COc1ccc(O)c([C@@H](C)N(C)CC2(O)CNC2)c1 2271703664 UDXNWGVBMQRZKM-SNVBAGLBSA-N 266.341 0.728 10 10 CCCE Nc1ccc(OCC(=O)NCCN2CC[C@@H]3C[C@@H]32)cc1 2290214464 XQAOWHSYVQMZFS-RISCZKNCSA-N 275.352 0.858 10 10 CCCE NC[C@]12C[C@H]1CN(c1cc3c(cc1N)NC(=O)CC3)C2 2288260745 MCCZJGIRRCSQAL-BONVTDFDSA-N 272.352 0.939 10 10 CCCE 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COc1ccc(N2C[C@@H]3OC[C@@H](CO)O[C@@H]3C2)c(N)c1 2279881411 LFVMTJCDYLAAQE-DDTOSNHZSA-N 280.324 0.242 10 10 CCCE CC(=O)c1ccc(O)c(CN2CC[C@H](O)[C@@H](O)CC2)c1 2284558413 VCKNZUJYAQBRLI-GJZGRUSLSA-N 279.336 0.912 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@H]2[C@@H]3CCO[C@@H]32)cc1 2309852811 XWIPEPNFZPINJP-SRVKXCTJSA-N 268.338 0.476 10 10 CCCE NCc1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CF)cc1F 2311999817 ZYVVIENSLDYRED-UTUOFQBUSA-N 258.268 0.164 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N3C[C@@H](O)[C@H](F)C3)cc21 2328762336 BNMAMLHBDSRUAB-JLLWLGSASA-N 265.288 0.182 10 10 CCCE O=C(N[C@H]1C[C@@H]2C[C@H]1C[C@@H]2O)c1cc(O)nc(O)c1 2330909982 YQBAXHHTIFISQC-YIKMNZTOSA-N 264.281 0.382 10 10 CCCE C[C@H](N)c1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CF)cc1O 2333235322 IEDUKZOLBRAJNB-RZOYXHMNSA-N 270.304 0.292 10 10 CCCE NCc1ccc(N2CC[C@H]2[C@@H](O)CO)cc1C1CC1 2339163817 PHXFRLAPCWKIQK-GJZGRUSLSA-N 262.353 0.955 10 10 CCCE Cc1cc(N(CC(N)=O)CC(N)=O)ccc1CNC(C)C 61808281 VIIIBSSKEVHAJU-UHFFFAOYSA-N 292.383 0.270 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCCCCC(=O)O 70201355 UHGRWYVMCBHCIJ-JTQLQIEISA-N 296.323 0.339 10 10 CCCE CN(C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O)C1CC1 40561238 BRKGMQSEQJFPNK-JTQLQIEISA-N 294.307 0.897 10 10 CCCE Nc1ccc(OC[C@H](O)CN2C[C@H]3[C@H](O)CC[C@H]3C2)cc1 228012864 LCPFUFFTVGWLCH-KSZJFAHPSA-N 292.379 0.711 10 10 CCCE CN(C(=O)c1ccc(O)c(O)c1)[C@H](CN)C1CC1 234318976 MVEKAKRMHBJRDQ-SNVBAGLBSA-N 250.298 0.907 10 10 CCCE Nc1cc2c(cc1N1CCN3CCC[C@@H]3C1)NC(=O)CO2 94457931 RCTHKTYTKLNGCP-SNVBAGLBSA-N 288.351 0.884 10 10 CCCE C[C@@H]1CCN(C(=O)c2ccc(O)c(O)c2)[C@H]1CN 235318838 ASBSOBVCJRSASX-SCZZXKLOSA-N 250.298 0.907 10 10 CCCE CNC(=O)NC[C@@H]1CN(Cc2cc(C)ccc2O)CCO1 529641049 JTLPFSFRFTWVEA-CYBMUJFWSA-N 293.367 0.830 10 10 CCCE C[C@H]1C[C@@H]1N(CCO)c1cc2c(cc1N)OCC(=O)N2 2167104588 PACYQVTUMTWROZ-KWQFWETISA-N 277.324 0.807 10 10 CCCE COC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](O)CN=[N+]=[N-] 686245661 DXZOUDZGIOGNKF-NKWVEPMBSA-N 274.277 0.724 10 10 CCCE CN1C[C@@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)NC1=O 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COC(=O)C1(O)CN(Cc2cc(C(C)=O)ccc2O)C1 714486833 ACTROQIGGLWGOA-UHFFFAOYSA-N 279.292 0.315 10 10 CCCE Nc1ccc(CC(=O)OC[C@H]2COCCO2)cc1 690711756 GWGODHJSFXYEPZ-GFCCVEGCSA-N 251.282 0.770 10 10 CCCE Cc1cc(CN)ccc1N1CCN2C(=O)NC[C@H]2C1 91751434 ZISHPKJSKQMNGM-LBPRGKRZSA-N 260.341 0.668 10 10 CCCE [N-]=[N+]=NC1CN(C(=O)C2CCS(=O)(=O)CC2)C1 1912144508 UIKTWDIBDOHVGB-UHFFFAOYSA-N 258.303 0.332 10 10 CCCE COC(=O)[C@@H]1[C@H]2CN(C(=O)Cc3ccc(O)c(O)c3)C[C@H]21 1298378440 YSTRMMXRZILBDM-MSRIBSCDSA-N 291.303 0.518 10 10 CCCE Cn1nc(C(=O)NCc2cccc(O)c2O)cc1O 1471642182 MZOPYVXDCFXDFO-UHFFFAOYSA-N 263.253 0.467 10 10 CCCE O=C1NC[C@@]2(CCCN(c3ccc(CO)cc3)C2)N1 2121182660 XNAODKFAFKOUGH-CQSZACIVSA-N 261.325 0.831 10 10 CCCE CCCNC(=O)NC(=O)CN1CCC[C@H]1CN=[N+]=[N-] 2123020394 PLDCFIBXLZRHBR-VIFPVBQESA-N 268.321 0.997 10 10 CCCE CN1C[C@H](C(=O)NCc2c(O)cccc2O)CC1=O 1647269737 KUZXGSSHLPWVSF-MRVPVSSYSA-N 264.281 0.192 10 10 CCCE CC1(C)[C@H](O)[C@@H](O)CN1c1c(F)cc(CO)cc1F 2124799410 HMBKFWXKTRDRJR-CMPLNLGQSA-N 273.279 0.778 10 10 CCCE C[C@H](N)c1ccc(N2C[C@@H]3C[C@H](C2)[C@H](O)[C@@H]3O)cc1 2126157028 PDSOHHACUVUREP-LOISDPQCSA-N 262.353 0.884 10 10 CCCE COC(=O)C[C@@H](O)CN(C)c1ccc2c(c1)OCO2 258736817 HKFUXFNNSLEWFY-SNVBAGLBSA-N 267.281 0.776 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1C[C@H]2C[C@@H](O)C[C@H]2C1 2128649033 QNQOPUSQPKWGOY-JGPRNRPPSA-N 263.293 0.941 10 10 CCCE CN1CCc2cc(CN3C[C@@H](O)C[C@H]3CN)ccc21 2131043555 AFFSCCLPAWVMBX-KBPBESRZSA-N 261.369 0.573 10 10 CCCE C[C@@H](O)c1ccc(N2CC(CNC(N)=O)C2)cc1O 2130741885 HNTRAJWWZGHFRI-MRVPVSSYSA-N 265.313 0.550 10 10 CCCE Cc1cnc(CNC(=O)c2cc(O)c(O)c(O)c2)[nH]1 2132349367 CEEDZOHBXANAQR-UHFFFAOYSA-N 263.253 0.765 10 10 CCCE C[C@H](c1cc(O)ccc1O)N1CCN[C@H]2COC[C@@H]21 2132561718 WLPLQYBTOWYSIQ-ICCXJUOJSA-N 264.325 0.831 10 10 CCCE [N-]=[N+]=NC[C@H]1CCN(S(=O)(=O)N2CCC(O)CC2)C1 1912152976 CLWSYUXYOHZMOI-SECBINFHSA-N 289.361 0.320 10 10 CCCE Cc1c(S(=O)(=O)N2CC(N=[N+]=[N-])C2)cnn1C 1912153228 FMGKOAVCRHJPOO-UHFFFAOYSA-N 256.291 0.412 10 10 CCCE CCOC(=O)[C@@]1(NCCCN=[N+]=[N-])CCNC[C@@H]1OC 1912146149 PVQFYYJKQLDYEK-CMPLNLGQSA-N 285.348 0.587 10 10 CCCE COc1ccc(CNCCc2nncn2C)c(O)c1 109422811 PDOLIUYXNBQACR-UHFFFAOYSA-N 262.313 0.862 10 10 CCCE CN[C@H]1CN(C(=O)c2cc(O)nc(O)c2)CC12CC2 2140957574 LIIIJDMHVOAQMM-VIFPVBQESA-N 263.297 0.317 10 10 CCCE COc1ccc(O)c([C@H](C)N[C@@H]2CNC(=O)C2)c1 228992508 ULXBONRPBZAYJJ-IUCAKERBSA-N 250.298 0.940 10 10 CCCE CO[C@H]1C[C@H](C(=O)O)N(Cc2ccc(O)c(O)c2)C1 2136364820 RLCOIEHLPOITII-VHSXEESVSA-N 267.281 0.772 10 10 CCCE CNCc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3C(N)=O)c(C)c1 2136607666 PGWWHNYSVYCYJW-IMRBUKKESA-N 259.353 0.882 10 10 CCCE COc1cc(N2C[C@@H]3OCCO[C@@H]3C2)ccc1CN 2139682793 MHXNORQUFCZADC-OKILXGFUSA-N 264.325 0.758 10 10 CCCE Cc1cc(N2C[C@H](O)[C@@H](O)C2)ccc1CNC1CC1 235858730 WLTPOALXJYJUTK-GJZGRUSLSA-N 262.353 0.789 10 10 CCCE COc1cc(C[C@@]2(O)CCCNC2)cc(O)c1O 1951664177 LGXAOKVEATYJKQ-ZDUSSCGKSA-N 253.298 0.763 10 10 CCCE CO[C@H]1C[C@@H](CN)N(C(=O)Cc2ccc(O)c(O)c2)C1 2146883106 NTHRAPVIDQXQRO-QWRGUYRKSA-N 280.324 0.215 10 10 CCCE Nc1cc2c(cc1N1CC[C@@H](CO)C1)CCC(=O)N2 161521304 CGLKVQMSRQIADQ-SECBINFHSA-N 261.325 0.972 10 10 CCCE CN1CCO[C@H]2CN(C(=O)Cc3ccc(N)cc3)C[C@@H]21 2153983791 RXZWRCIUMIPOSF-KBPBESRZSA-N 275.352 0.353 10 10 CCCE Nc1ccc(OCC(=O)OC[C@@H]2C[C@@H](CO)CO2)cc1 2155596036 CBRYILNYSPPBOO-GWCFXTLKSA-N 281.308 0.588 10 10 CCCE CCCCOC[C@@H](O)Cn1ccc2c(c1=O)CNCC2 2155684472 ZNBJQUKYJPXZRE-ZDUSSCGKSA-N 280.368 0.672 10 10 CCCE O=C(N[C@@H]1CCNC[C@@H]1F)c1ccc(O)c(O)c1 2029908920 KBGHRZUYBCXLPG-DTWKUNHWSA-N 254.261 0.528 10 10 CCCE C[C@H](c1cc(O)ccc1O)N(C)CCN1CCNCC1 71148485 FUGRLYWBWLIZIP-GFCCVEGCSA-N 279.384 0.996 10 10 CCCE O=C1CCCN1CCNCc1cccc(O)c1O 405385676 BRUPZTLBBJLNKO-UHFFFAOYSA-N 250.298 0.810 10 10 CCCE C[C@H](C(=O)N1CCC[C@H]1CN=[N+]=[N-])S(C)(=O)=O 701159949 XCPYMXHTJSMRNM-SFYZADRCSA-N 260.319 0.721 10 10 CCCE C[C@@H](NCC1CS(=O)(=O)C1)c1cc(O)ccc1O 701914788 PMWHCCURQQLZQF-MRVPVSSYSA-N 271.338 0.793 10 10 CCCE C[C@H](N[C@@H]1CCOC[C@@H]1O)c1c(O)cccc1O 706722302 DHVPWNGLQMCULB-SBMIAAHKSA-N 253.298 0.898 10 10 CCCE COCCNCc1ccc(N2CC(C(N)=O)C2)c(Cl)c1 382063714 OAROJDXGSNBYDI-UHFFFAOYSA-N 297.786 0.998 10 10 CCCE Nc1ccc(OCCC(=O)NCC2(CO)COC2)cc1 717642701 NTLKLPQJFJFPPU-UHFFFAOYSA-N 280.324 0.163 10 10 CCCE CN1CCc2cc([C@@H](O)[C@H](N)CCS(C)(=O)=O)ccc21 2163070134 GSOGDFHURIRSIM-TZMCWYRMSA-N 298.408 0.474 10 10 CCCE CN1CCc2cc([C@H](CCn3cnnc3)NN)ccc21 2163148329 WIMGFFIXIKMYGD-ZDUSSCGKSA-N 272.356 0.865 10 10 CCCE CN1CC2(CCN(C(=O)COc3ccc(N)cc3)C2)C1 398932700 RIQKAGZSQYZKJV-UHFFFAOYSA-N 275.352 0.812 10 10 CCCE O=C1N[C@H]2CN(c3ccc(CO)cc3[N+](=O)[O-])C[C@H]2O1 2176929012 XBQRKYJWZUTJCN-GZMMTYOYSA-N 279.252 0.384 10 10 CCCE CN=c1nc(OC)[nH]c(=NCCc2ccc(N)cc2)[nH]1 2174022215 VUTTWMDMDLBLCG-UHFFFAOYSA-N 274.328 0.003 10 10 CCCE COc1ccc(O)c(CN2C[C@@H](O)[C@H](CC(=O)O)C2)c1 2174353201 XVKBXWWGWMNCLG-ZWNOBZJWSA-N 281.308 0.668 10 10 CCCE NCC1(Cn2nnnc2C2=S=Nc3ccccc32)CC1 2174350721 GDJCTAXHRZSMIG-UHFFFAOYSA-N 286.364 0.892 10 10 CCCE O=C(O)CN1CC[C@H](NCc2ccc3c(c2)CCO3)C1 2169311164 BCHURKXWDMYTNO-ZDUSSCGKSA-N 276.336 0.870 10 10 CCCE CCCN(Cc1ccc(N)cc1)S(=O)(=O)c1nc[nH]n1 2179137394 SUQHZUYSYZJHGJ-UHFFFAOYSA-N 295.368 0.988 10 10 CCCE Nc1ccc(OCC(=O)N[C@@H]2CN[C@@H]3CCC[C@H]23)cc1 2191677163 AOTPVHJQTKBYQY-BFHYXJOUSA-N 275.352 0.904 10 10 CCCE CN(C(=O)C1=C[C@@H](O)[C@@H](N)C1)c1cccc(C(=O)O)c1 2188033456 UQGAZVDHTCEQGS-NWDGAFQWSA-N 276.292 0.366 10 10 CCCE Cc1cccc(O)c1CNCCCNS(C)(=O)=O 2042632980 NVHAATZUWPBINU-UHFFFAOYSA-N 272.370 0.730 10 10 CCCE C[C@@H](N)c1ccc(N2C[C@H](O)C[C@@H](O)C2)c(F)c1 2043128573 FQFQQXUVLLCFCK-FBIMIBRVSA-N 254.305 0.777 10 10 CCCE NC1(CCNC(=O)Cc2ccc(O)c(O)c2)CC1 2059127660 LXLCSCYKIYXIHO-UHFFFAOYSA-N 250.298 0.638 10 10 CCCE C[C@H]1CNC(=O)CN1C(=O)c1cccc(O)c1O 2060842398 IPJRHTGZHRQWJP-ZETCQYMHSA-N 250.254 0.058 10 10 CCCE CN1C(=O)CO[C@H]2CCN(Cc3ccccc3O)C[C@@H]21 2185559336 CCILXXFUVPWAFE-JSGCOSHPSA-N 276.336 0.824 10 10 CCCE Cc1cc(CN)ccc1N1CC(=O)N2CCOC[C@@H]2C1 2185855049 IUGMNKQRXZRHEN-ZDUSSCGKSA-N 275.352 0.501 10 10 CCCE O=C(NC[C@@H]1CCC1=O)c1cc(O)c(O)c(O)c1 2068624406 PBHDBVWLUIKCHI-LURJTMIESA-N 251.238 0.512 10 10 CCCE C[C@@H](F)[C@H](NC(=O)Cc1ccc(N)cc1)C(=O)O 2069679284 BJTYLTZDIZLXME-HQJQHLMTSA-N 254.261 0.739 10 10 CCCE Nc1ccc(NC(=O)NC[C@H](F)C2CNC2)cc1 2071564932 FWTFVFRPGDJABC-NSHDSACASA-N 252.293 0.948 10 10 CCCE O=C(N[C@H]1CCO[C@@H](C(=O)O)C1)c1cccc(O)c1O 2194361361 VWURPIJJBBVOPW-OIBJUYFYSA-N 281.264 0.460 10 10 CCCE CN(C)C(=O)NCCCNCc1cccc(O)c1O 2101271945 HZJYXVKELKIROQ-UHFFFAOYSA-N 267.329 0.849 10 10 CCCE COc1ccc(O)c([C@H](C)N2C[C@H](O)C[C@H]2C(=O)O)c1 2200879716 WEYKAXCZKVKKLM-SBMIAAHKSA-N 281.308 0.982 10 10 CCCE COc1ccc(N2C[C@@H](O)C[C@H]2CN)c(F)c1F 2081861126 PAVYKJJDYZVEIA-YUMQZZPRSA-N 258.268 0.872 10 10 CCCE COc1ccc(O)c(CN2C[C@H](N)[C@H]3COC[C@H]32)c1 2102139922 FNKWKUWTPJVWFX-FRRDWIJNSA-N 264.325 0.559 10 10 CCCE C[C@@H](NC(=O)N1CC[C@H](CN=[N+]=[N-])C1)S(C)(=O)=O 2082958529 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O=C1Nc2cc(N3C[C@H](O)C34CCC4)c(F)cc2[C@H]1O 2201409912 VQRHHHMMKQXSDC-NWDGAFQWSA-N 278.283 0.915 10 10 CCCE COc1cc(N2C[C@H](O)[C@H](O)C2)ccc1CNC(C)C 2204554934 VBSWTYSVXNYBPE-OKILXGFUSA-N 280.368 0.735 10 10 CCCE COc1cc(N2C[C@H]3C[C@H](O)[C@H](O)[C@H]2C3)ccc1CO 2204558150 YRYABGFHNSPZKL-BXKLLYQPSA-N 279.336 0.508 10 10 CCCE CCN(CC)S(=O)(=O)Nc1ccc(O)c(N)c1 2214998400 SSSBIAJHUGKOFF-UHFFFAOYSA-N 259.331 0.973 10 10 CCCE CSCC1(NC(=O)c2cc(O)nc(O)c2)CC(=O)C1 2230772113 DXLPWBZJKKJDAR-UHFFFAOYSA-N 282.321 0.687 10 10 CCCE Nc1ccc(NC(=O)CN2CC[C@@H]3[C@@H](O)C[C@@H]3C2)cc1 2232886911 GXGZBUJHCTZTPZ-SWHYSGLUSA-N 275.352 0.910 10 10 CCCE [N-]=[N+]=N[C@H]1CCC[C@@H]1NC(=O)CCN1C(=O)CCC1=O 2234177829 WGCXDRBNQYHSOE-IUCAKERBSA-N 279.300 0.873 10 10 CCCE COCC[C@H](N)CNS(=O)(=O)Cc1ccc(N)cc1 2225571736 PXLPLBKVHDTEJF-LBPRGKRZSA-N 287.385 0.052 10 10 CCCE COc1ccc(N2[C@H]3CC[C@H]2[C@H](O)[C@@H](O)C3)c(CO)c1 2236002241 MCUKOECDESIDBA-HJPIBITLSA-N 279.336 0.650 10 10 CCCE C[C@@H]1Cc2cc(N3C[C@H](O)[C@H](O)[C@@H]3CF)ccc2O1 2226700046 KABUQQAWKLBTKA-BHGAFXIHSA-N 267.300 0.890 10 10 CCCE COc1ccc(N2CCN(CCO)C(=O)C2)c(C)c1 2226745635 BKONVUTWWMQNIY-UHFFFAOYSA-N 264.325 0.645 10 10 CCCE COc1ccc(N2CCS(=O)(=O)CC2)c(CCN)c1 2227682088 MUGLLTBREWRUDM-UHFFFAOYSA-N 284.381 0.431 10 10 CCCE COc1cc(N2C[C@@H]3CCO[C@]3(CO)C2)ccc1CN 2239914196 DHCFUZMSDFYSDW-WFASDCNBSA-N 278.352 0.742 10 10 CCCE CSc1ncc(CNC[C@@H](N)CS(C)(=O)=O)s1 2299067952 OERJMYWNCPPEHR-SSDOTTSWSA-N 295.455 0.327 10 10 CCCE CSc1cc(N2CCN(C)[C@H](CO)C2)ccc1CN 2353858400 JVECWXGDIOBNEG-ZDUSSCGKSA-N 281.425 0.980 10 10 CCCE COc1ccc(CN2CC[C@@H](C(N)=O)C2)c(O)c1 157214324 ZMYFRPBNUPNPKS-SNVBAGLBSA-N 250.298 0.708 10 10 CCCE CC(=O)N[C@@H]1CCN(CCC(=O)Nc2ccc(N)cc2)C1 133787428 DGZQXFJUPBOVRO-CQSZACIVSA-N 290.367 0.808 10 10 CCCE CC(C)[C@@H]1C[C@@](NCCN=[N+]=[N-])(C(N)=O)CCO1 90257713 CGSFGYMJEXHFKI-GXSJLCMTSA-N 255.322 0.945 10 10 CCCE CC[C@H](NC(=O)c1ccc(O)c(O)c1)C(N)=S 234030455 KHROFOSCRLHCOU-ZETCQYMHSA-N 254.311 0.892 10 10 CCCE [N-]=[N+]=NCCCCNC(=O)[C@H]1CC[C@H](C(=O)O)O1 2218735030 KYQFUBQHJZXPCF-HTQZYQBOSA-N 256.262 0.825 10 10 CCCE CN1CCCc2cc([C@@H](Cn3cnnc3)NN)ccc21 2163157631 FPEYVGTURLCHMU-CYBMUJFWSA-N 272.356 0.865 10 10 CCCE CN(C(=O)CN1CC(C[S@@](C)=O)C1)c1ccc(N)cc1 2166656546 HCQVPRXKNHWIKA-HXUWFJFHSA-N 295.408 0.542 10 10 CCCE N[C@H](c1cccc(Br)c1O)[C@@H](O)C(=O)O 713745708 WEYANSKKLGSIPG-HTRCEHHLSA-N 276.086 0.600 10 10 CCCE C[C@H](NCc1ccc(O)c(O)c1O)c1cn(C)nn1 720546492 RHBSJXLMANFYOO-ZETCQYMHSA-N 264.285 0.783 10 10 CCCE CN(c1ccc(CO)c([N+](=O)[O-])c1)C(C)(C)C(N)=O 2132057375 DABPQDJTWAQTLW-UHFFFAOYSA-N 267.285 0.787 10 10 CCCE NC(=O)C[C@@H]1CCN(c2ccc3c(c2)NC(=O)[C@H]3N)C1 723161707 VUPITPVIDMKEBV-SDBXPKJASA-N 274.324 0.340 10 10 CCCE CN(C)c1ccc(CNC(=O)CCc2nn[nH]n2)cc1F 865051575 OLTQZBPCRVVDKS-UHFFFAOYSA-N 292.318 0.654 10 10 CCCE Cn1ncnc1CCCNC(=O)c1cc(O)cs1 862087654 RRVCCSMVUHNETI-UHFFFAOYSA-N 266.326 0.945 10 10 CCCE C[C@H](NC(=O)[C@H]1CO[C@H](C)CN1)c1ccccc1O 1877584083 AHZBBCUTIVWDIL-JFGNBEQYSA-N 264.325 0.946 10 10 CCCE C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)Cc1ccc(O)c(O)c1 1136290276 ILNZGYBIUFZMOJ-GXSJLCMTSA-N 292.335 0.753 10 10 CCCE COc1ccc(N2CC[C@](C)(O)[C@](C)(O)C2)c(N)c1 1880708482 PQUWCRKYDIQVLU-UONOGXRCSA-N 266.341 0.990 10 10 CCCE CN(C(=O)c1cnc(O)nc1O)c1ccc(N)cc1 702120812 NUUAMKDKYZIRPW-UHFFFAOYSA-N 260.253 0.747 10 10 CCCE CCOC(=O)CS(=O)(=O)N1CCC[C@H]1CN=[N+]=[N-] 692808595 ZHMTUNZHCBGBHQ-QMMMGPOBSA-N 276.318 0.654 10 10 CCCE [N-]=[N+]=NCCN[C@]1(C(N)=O)CCCN2CCSC[C@H]21 718496811 ZUTCHGVZVDLJQZ-GXSJLCMTSA-N 284.389 0.322 10 10 CCCE CN(Cc1nncn1C)C(=O)Cc1ccc(O)c(O)c1 1450699754 ZNQUUPCVQCCMBU-UHFFFAOYSA-N 276.296 0.427 10 10 CCCE CCN1CCN(CC(=O)Nc2ccc(N)cc2)CC1 22211043 PHJOYIXTJIXTOE-UHFFFAOYSA-N 262.357 0.845 10 10 CCCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCC(N)=O 1556158058 QPCYTNQVHLCJOS-MRVPVSSYSA-N 266.297 0.411 10 10 CCCE C[S@](=O)CC[C@H]1NC(=O)N(c2ccc(N)cc2)C1=O 2120818950 FTQKGTIZFTVJPU-DGIBIBHMSA-N 281.337 0.462 10 10 CCCE CNC(=O)CN1CCCN(C(=O)c2cc(O)cs2)CC1 1638876807 DVKAQESZWTUKGB-UHFFFAOYSA-N 297.380 0.348 10 10 CCCE N[C@H](c1ccccc1O)C1(O)CC(n2cncn2)C1 2125748489 PAMRCLJUGMOIII-BKDHPRRPSA-N 260.297 0.750 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC[C@@H](CO)C2)cc1 161492365 LSYMELRGUCPNCY-LLVKDONJSA-N 270.354 0.413 10 10 CCCE CCNC(=O)[C@H]1COCCN1C(=O)Cc1ccc(N)cc1 159161715 YPYZSYBPDYJRDO-CYBMUJFWSA-N 291.351 0.175 10 10 CCCE COc1cccc(CN2CCN[C@H]3COC[C@H]32)c1O 2132561465 VOEVCRQEQWWPTE-NWDGAFQWSA-N 264.325 0.573 10 10 CCCE C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@H](CN=[N+]=[N-])C1 1912179196 SALPFDAIDQQDTL-AEJSXWLSSA-N 254.290 0.949 10 10 CCCE CSCC[C@@H](NC(N)=O)C(=O)N(C)CCN=[N+]=[N-] 1912188489 OQRYMHRTDLXSOR-SSDOTTSWSA-N 274.350 0.545 10 10 CCCE [N-]=[N+]=NC[C@H]1CCN(S(=O)(=O)N2CCC[C@H](O)C2)C1 1912187653 IXWKDVKHDZYHJF-ZJUUUORDSA-N 289.361 0.320 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)C[C@@H]2COCCO2)C1 1912184974 KPBWBDOPICIYON-VHSXEESVSA-N 254.290 0.951 10 10 CCCE CS(=O)(=O)N1CCC[C@H](CN2CC(N=[N+]=[N-])C2)C1 1912160105 QLGALMZOTHOHGG-SECBINFHSA-N 273.362 0.653 10 10 CCCE CC(C)NC(=O)NC(=O)CN1CC[C@@H](CN=[N+]=[N-])C1 1912173646 OZJVCNVENWOGLP-VIFPVBQESA-N 268.321 0.853 10 10 CCCE C[C@](NCCCN=[N+]=[N-])(C(N)=O)[C@@H]1CCCCN1 1912187610 IPXMDENUVUTTBF-GXSJLCMTSA-N 254.338 0.663 10 10 CCCE CC(C)S(=O)(=O)N(C)Nc1nc(CO)cs1 1901376921 HVTYIFDMBIWXMR-UHFFFAOYSA-N 265.360 0.632 10 10 CCCE COc1cc(N2C[C@H](CO)OC[C@@H]2C)ccc1CO 2139682068 BPOSWHZGAFOWRU-GXFFZTMASA-N 267.325 0.774 10 10 CCCE CN(C)c1ccc(CNC(=O)[C@@H]2CNC(=O)C2)cc1 110347045 AKRUTLRAIWIYGU-NSHDSACASA-N 261.325 0.505 10 10 CCCE CN(c1cc2c(cc1Cl)[C@@H](O)C(=O)N2)[C@@H]1CCNC1=O 1916800013 JBCWXYNPUOMSOV-MWLCHTKSSA-N 295.726 0.650 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N3CC[C@](F)(CO)C3)cc21 1917072069 QFOLAPRBWCDWIX-GXTWGEPZSA-N 279.315 0.574 10 10 CCCE O=C(O)[C@]1(O)CCN(Cc2cc(F)cc(F)c2O)C1 1968189159 HJYRNFKPTJHONP-LBPRGKRZSA-N 273.235 0.692 10 10 CCCE Nc1ccc(NCC2(CO)CCS(=O)(=O)CC2)cc1 2135076325 FDNZOYUQYAXOBW-UHFFFAOYSA-N 284.381 0.868 10 10 CCCE CNCc1ccc(N2CCOC[C@@H]2C(N)=O)cc1Cl 234451632 SCVBZWGBAOXFDC-GFCCVEGCSA-N 283.759 0.750 10 10 CCCE CC(C)([C@@H](NN)c1ccccc1O)S(C)(=O)=O 1942399845 DJXUVZSZKNGAFZ-JTQLQIEISA-N 258.343 0.720 10 10 CCCE C[C@H](N[C@H]1CC(=O)N(C)C1=O)c1c(O)cccc1O 235512024 VNKQFHIAUVIMDL-YUMQZZPRSA-N 264.281 0.506 10 10 CCCE CNS(=O)(=O)[C@@H]1CCN(c2ccc(N)cc2)C1 2004006795 PXVSQVSWILDXIJ-LLVKDONJSA-N 255.343 0.397 10 10 CCCE N[C@@H]1C[C@H]2CN(Cc3cc(Cl)ccc3O)CCN2C1=O 1972665561 XJYDXSYUTTXQHM-NWDGAFQWSA-N 295.770 0.789 10 10 CCCE COc1cccc(O)c1CN[C@@H]1C[C@H]2C[C@H]1[C@H](O)[C@@H]2O 1974157579 NNWNBWRHLQTDQT-WMPUKIQVSA-N 279.336 0.621 10 10 CCCE CN1C(=O)[C@@H](O)c2ccc(N(C)C3(C)COC3)cc21 2143192671 FUZUQDRPBNCATH-LBPRGKRZSA-N 262.309 0.922 10 10 CCCE CN(C)c1ccc(CN(C)[C@@H]2CS(=O)(=O)C[C@H]2O)cc1 2143421852 RQSOIVHDBMJQTM-ZIAGYGMSSA-N 298.408 0.342 10 10 CCCE CN[C@@H](c1ccccc1O)C1(O)CC2(C1)CS(=O)(=O)C2 2152032713 IMYBFGIXLZMPIV-LBPRGKRZSA-N 297.376 0.592 10 10 CCCE Nc1ccc(C[C@H](O)C[C@H]2CCS(=O)(=O)C2)cc1 2031490621 XCMYTZYWKFPEGQ-YPMHNXCESA-N 269.366 0.997 10 10 CCCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)Cn2cccnc2=O)CC1 2155566369 CKUDJLGWXBEPRJ-SNVBAGLBSA-N 276.300 0.935 10 10 CCCE C[S@@](=O)CCN1CCN(c2ccc(N)cc2)CC1 400596511 GUCARNSQESWSJZ-GOSISDBHSA-N 267.398 0.769 10 10 CCCE C[C@H]1C[C@@H](O)CN(CC(=O)c2ccc(O)c(O)c2)C1 401951913 LTUNYRXOJQYVGQ-GXSJLCMTSA-N 265.309 0.983 10 10 CCCE CO[C@@H]1COCC[C@H]1NCc1ccc(O)cc1O 310847658 LRNYIFWHJSIWLR-DGCLKSJQSA-N 253.298 0.991 10 10 CCCE O=C(N[C@H]1CCC[C@@H](CO)C1)c1cc(O)nc(O)c1 311382545 YBAZOWVIOJCWGY-SCZZXKLOSA-N 266.297 0.774 10 10 CCCE COC(=O)[C@H](C)S(=O)(=O)N1CCC[C@H]1CN=[N+]=[N-] 703191016 AXUOPHXPYBGHQS-YUMQZZPRSA-N 276.318 0.652 10 10 CCCE Cc1cc(CN)ccc1N1C[C@@H](CO)[C@H](CO)C1 704700769 ZSAZEJPWLSQZPJ-STQMWFEESA-N 250.342 0.491 10 10 CCCE CN(C)c1ccc(CNC(=O)[C@@]2(C)CNCCO2)cc1 710848814 YDIQFUUVZWOFAR-OAHLLOKOSA-N 277.368 0.747 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3CC(CN(C)C)C3)ccc21 382370506 ZQUGHCQXECTYDX-AWEZNQCLSA-N 274.368 0.897 10 10 CCCE COCC1(O)CN(c2cc3c(cc2Cl)[C@@H](N)C(=O)N3)C1 384187927 YGUFTDRZRKNBAM-LLVKDONJSA-N 297.742 0.489 10 10 CCCE C[C@H]1NC(=O)CC[C@@H]1NC(=O)COc1ccc(N)cc1 392951238 URXJWTVXMMPSKW-SKDRFNHKSA-N 277.324 0.431 10 10 CCCE NC(=O)CC[S@@](=O)CCCOc1ccc(N)cc1 399347284 WWPXNHXUGAUYJJ-SFHVURJKSA-N 270.354 0.662 10 10 CCCE O=C(O)[C@@H]1C[C@H](O)CCN1C(=O)c1cccc(O)c1O 2177450396 NOFDBCJSEZGMNU-APPZFPTMSA-N 281.264 0.148 10 10 CCCE C[C@H]1C[C@@H](C(=O)NCc2c(O)cc(O)cc2O)CO1 2062051495 DTIQORCKVMMMAO-JGVFFNPUSA-N 267.281 0.845 10 10 CCCE OCC(CO)(CO)CNCc1ccc2c(c1)CCCO2 2179802186 DMZQCJAPQJBQGL-UHFFFAOYSA-N 281.352 0.065 10 10 CCCE COc1cccc(O)c1CNC[C@H]1[C@@H]2CS(=O)(=O)C[C@H]12 2174617422 DUEGKEXRDFOAPI-WLLOZRIZSA-N 297.376 0.781 10 10 CCCE O=C(NC[C@H]1CCC[C@@H]1CO)c1cc(O)c(O)c(O)c1 2188868170 NCKYVVOGQDLPMO-RKDXNWHRSA-N 281.308 0.942 10 10 CCCE Cc1ccc(CNC(=O)c2cc(O)c(O)c(O)c2)nn1 2188868032 KZDCFIIZZPTQBN-UHFFFAOYSA-N 275.264 0.832 10 10 CCCE COC[C@@](O)(CO)CNCc1c(C)cccc1O 2042628852 ZROATWAUOBBREM-ZDUSSCGKSA-N 255.314 0.160 10 10 CCCE Nc1ccc(NC(=O)CCOCCn2cncn2)cc1 2184459068 XWDRVSQXNDUGGR-UHFFFAOYSA-N 275.312 0.906 10 10 CCCE CN[C@@H]1CCc2cc(N3CCOC[C@@H]3C(N)=O)ccc21 2184728079 ZSPAKASGTYQKKZ-ZIAGYGMSSA-N 275.352 0.584 10 10 CCCE CNS(=O)(=O)CCCN(C)c1ccc(CN)cc1 2050461837 ZJCUQRROQUGPIC-UHFFFAOYSA-N 271.386 0.521 10 10 CCCE CO[C@H]1CS(=O)(=O)C[C@H]1N1CCC[C@H]1CN=[N+]=[N-] 2059049435 OOHMZJLNSXZEPZ-AEJSXWLSSA-N 274.346 0.573 10 10 CCCE CC1(C)C[C@@H](NS(=O)(=O)Cc2ccc(N)cc2)[C@H]1O 2105097211 NRWHYUIIKJSPKF-VXGBXAGGSA-N 284.381 0.848 10 10 CCCE COc1ccc(CN2C[C@H](O)C[C@H]2CN)c(O)c1 2060806384 GMDXCKVXNGBYCT-WDEREUQCSA-N 252.314 0.295 10 10 CCCE O=C(N[C@H]1CCO[C@@H](C(=O)O)C1)c1ccc(O)c(O)c1 2194367189 UYLSFRUKUOVYLY-GZMMTYOYSA-N 281.264 0.460 10 10 CCCE C[C@@H]1OCC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2068577747 PKNZLJVDUXBCCF-POYBYMJQSA-N 253.254 0.711 10 10 CCCE N[C@H](CNC(=O)c1cc(O)c(O)c(O)c1)C1CC1 2068614888 JFULFBBVOVFYIF-MRVPVSSYSA-N 252.270 0.271 10 10 CCCE CN([C@H]1CC[C@@H]1N)S(=O)(=O)CCOc1ccc(N)cc1 2191534504 BFLFPWUUDJYWIZ-STQMWFEESA-N 299.396 0.399 10 10 CCCE Nc1ccc(NC(=O)N2CC[C@]3(CNCCO3)C2)cc1 2191531644 WCMXXAOUIICMRL-AWEZNQCLSA-N 276.340 0.865 10 10 CCCE COC(=O)c1cccc(N)c1N[C@@H]1CCOC[C@@H]1O 2108739290 KTEKWKVAPXEOCK-MNOVXSKESA-N 266.297 0.617 10 10 CCCE Nc1ccc(OCCC(=O)N[C@]2(CF)CCNC2)cc1 2191661532 HMUGMRDYUMYZRX-AWEZNQCLSA-N 281.331 0.856 10 10 CCCE C[C@@H](NC(=O)[C@@]1(O)CCNC1)c1ccccc1O 2072486409 MEVPCMZXKOXJIQ-NOZJJQNGSA-N 250.298 0.294 10 10 CCCE Nc1ccc(OCCS(=O)(=O)N2[C@@H]3COC[C@H]2C3)cc1 2198577920 PCFUMLKZPWRPRA-TXEJJXNPSA-N 298.364 0.451 10 10 CCCE COC[C@@](O)(CO)CN[C@H](C)c1ccc(C)cc1O 2102399213 LJJRPAMRNAHVQV-RISCZKNCSA-N 269.341 0.721 10 10 CCCE O=C(N[C@@H]1C[C@]2(C(=O)O)C[C@H]12)c1cccc(O)c1O 2104713444 JIOFBDLQRJAPEO-OTPXZMOZSA-N 263.249 0.691 10 10 CCCE C[C@](CO)(NC(=O)COc1ccc(N)cc1)C(F)F 2105093843 AAGOSGNDXGTEPZ-GFCCVEGCSA-N 274.267 0.780 10 10 CCCE Nc1ccc(CNC(=O)[C@@H]2OCC[C@@H]2C(=O)O)cc1 2105960761 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CO[C@@H]1CCNC[C@H]1C(=O)NCc1cccc(C)c1O 2204619569 DFJORKVWBZVKRW-CHWSQXEVSA-N 278.352 0.941 10 10 CCCE O[C@H]1[C@@H](CF)N(c2ccc3c(c2)CCC[C@H]3O)C[C@H]1O 2205591621 TXWFNOHXCYHYOT-TUVASFSCSA-N 281.327 0.936 10 10 CCCE C[C@]1(CCNC(=O)c2ccc(O)c(O)c2)CCN1 2218544565 NRLCOEFNNIOFIR-ZDUSSCGKSA-N 250.298 0.970 10 10 CCCE COc1cc(N2CCO[C@@H](CO)C2)cc(OC)c1OC 2235138317 KDMJWHDHCUVSNY-LLVKDONJSA-N 283.324 0.910 10 10 CCCE CNCc1cc(OC)ccc1N1C[C@H](O)C[C@@]1(C)CO 2235958013 IKRJRLCDPSQTGK-DOMZBBRYSA-N 280.368 0.737 10 10 CCCE COc1ccc(N2C[C@H]3COC[C@@H](C2)C3O)c(C=O)c1 2235988236 UFSWHHPQWOXBMA-ODOQXGPZSA-N 277.320 0.951 10 10 CCCE COc1ccc(N2C[C@@H]3C[C@H](C2)[C@@H](O)[C@H]3O)c(C=O)c1 2235986174 MDENLMWDMFJXIP-LMHVJCSRSA-N 277.320 0.686 10 10 CCCE O[C@H]1[C@@H](CF)N(c2ccc3c(c2)CCCO3)C[C@H]1O 2226674831 RIORDAHDXDPYCV-BZPMIXESSA-N 267.300 0.892 10 10 CCCE OCc1ccc(N2C[C@H]3[C@H](C2)[C@H]2C[C@H]3[C@H](O)[C@@H]2O)cc1 2237056855 QKIJKDXJBOYBGE-SJJUBHFPSA-N 275.348 0.603 10 10 CCCE COc1ccc(N2CC[C@](CO)(OC)C2)c(CO)c1 2227708355 HHLOYURHWQEOOK-AWEZNQCLSA-N 267.325 0.775 10 10 CCCE CSc1ncc(CNC(=O)[C@@H]2CC[C@@H](O)CN2)s1 2257010289 AMLRBYBXHFPHEM-APPZFPTMSA-N 287.410 0.594 10 10 CCCE COCCN(C[C@H](C)N)C(=O)c1cccc(O)c1O 2272390591 BODRJYXIOOACOS-VIFPVBQESA-N 268.313 0.534 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC[C@]3(O)C[C@H]3C2)cc1 2265252950 SRPGAQSTOKMDJC-AAEUAGOBSA-N 282.365 0.555 10 10 CCCE O=C(O)[C@]12CCO[C@@H]1CN(Cc1ccc(O)c(O)c1)C2 2296381930 YRLLZMPDDPELCO-OCCSQVGLSA-N 279.292 0.773 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CCc2n[nH]cc2C1 1148582205 FQDFAHZXUOKNGL-UHFFFAOYSA-N 275.264 0.725 10 10 CCCE COc1ccc(N(C)C[C@H](N)CS(C)(=O)=O)cc1 2313856572 PHQKPKPDHDXRAL-JTQLQIEISA-N 272.370 0.503 10 10 CCCE Nc1ccc(OCCCN2C[C@@H]3C[C@H]2[C@@H](O)[C@H]3O)cc1 2354484422 VTCOJWDJEVDHOL-FBUXBERBSA-N 278.352 0.464 10 10 CCCE O=C(c1cccc(O)c1O)N1CC[C@@H]2C[C@H]1[C@H](O)[C@H]2O 2357593156 SEDZIXKFYKLHMQ-LJTIPZBVSA-N 279.292 0.054 10 10 CCCE COC(=O)CNC(=O)CCOc1ccc(N)cc1 40292737 JULUTUYMWDEKQQ-UHFFFAOYSA-N 252.270 0.327 10 10 CCCE NS(=O)(=O)CCCNCc1cc(F)ccc1O 236288896 YEISIGCNECGCPB-UHFFFAOYSA-N 262.306 0.300 10 10 CCCE CC(=O)C(=O)COC(=O)[C@H]1CC(=O)N(CC(C)C)C1 808500989 GFVKYAWNNIMDTC-JTQLQIEISA-N 269.297 0.192 10 10 CCCE C[C@@H]1OCC[C@@H]1[S@@](=O)C[C@H](O)COc1ccc(N)cc1 722442634 MAFREWFKKPHZIC-VLGIZJSUSA-N 299.392 0.935 10 10 CCCE CNC(=O)[C@H]1COCCN1c1ccc([C@H](C)N)cc1 723177522 DTRHOVYSFVLYLY-GXFFZTMASA-N 263.341 0.658 10 10 CCCE Cc1ccc(C(=O)N[C@@H](CO)c2ccnn2C)c(O)c1O 838064660 NMJJSLYHHMMJPT-JTQLQIEISA-N 291.307 0.603 10 10 CCCE O=C(O)CN(Cc1ccccc1O)C(=O)[C@H](O)C1CCC1 911488723 NJQPPKLFENGSBJ-CQSZACIVSA-N 293.319 0.966 10 10 CCCE [N-]=[N+]=N[C@@H]1CO[C@H](OCc2ccccc2)[C@@H](N)[C@H]1O 687770675 IHPXTIKWQXMPPH-RHYQMDGZSA-N 264.285 0.927 10 10 CCCE COc1ccc(N2CC[C@@H](NC(=O)NC[C@@H](C)N)C2)cc1 851665448 BDRMPQHYRXCSFA-VXGBXAGGSA-N 292.383 0.920 10 10 CCCE O=S(=O)(NCc1c(O)cccc1F)[C@H]1CCCNC1 923676519 JBBZQDWEKJQMJJ-VIFPVBQESA-N 288.344 0.703 10 10 CCCE CC(=O)C(=O)COC(=O)c1c(C(F)(F)F)cnn1C 850091647 ACBPZZYKGRGUQE-UHFFFAOYSA-N 278.186 0.754 10 10 CCCE C[C@@H]1CN(CCO)CCN1C(=O)c1cc(O)cs1 854895880 DFFBAACAOJRWOT-SECBINFHSA-N 270.354 0.592 10 10 CCCE NCc1ccc2c(c1)CCCN2CCC(=O)NC(N)=O 700946863 LGIHNWJGIKLISC-UHFFFAOYSA-N 276.340 0.483 10 10 CCCE Cn1ncc(C(=O)COC(=O)c2cccc(O)c2O)n1 792152761 WOOWNEPHNPFNRK-UHFFFAOYSA-N 277.236 0.266 10 10 CCCE CNC1CC(S(=O)(=O)N(C)Cc2ccccc2O)C1 1877523443 FTZFJPFMFVQMNP-UHFFFAOYSA-N 284.381 0.904 10 10 CCCE CN[C@H]1CCSC[C@@H]1NC(=O)c1ccc(O)c(O)c1 1896157582 IYZNXMBOCGPTRM-UWVGGRQHSA-N 282.365 0.921 10 10 CCCE NC[C@H]1COCC[C@H]1NC(=O)c1cccc(O)c1O 1878792636 UKPCORODRYNGNH-WCBMZHEXSA-N 266.297 0.191 10 10 CCCE C[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C(N)=O 1138128728 DFFMTCRWQTZLBM-RXMQYKEDSA-N 280.305 0.916 10 10 CCCE C[C@@H](C(N)=O)N1C[C@@H](C)Nc2cc3c(cc21)OCCO3 76928718 AYPBEQPFZGPDNK-BDAKNGLRSA-N 277.324 0.952 10 10 CCCE [N-]=[N+]=N[C@@H]1[C@@H](OCc2ccccc2)O[C@H](CO)[C@@H](O)[C@@H]1O 90728878 NZPDOBJGGCDISD-MLGHIDQZSA-N 295.295 0.321 10 10 CCCE CNCc1nnc([C@@H](N)c2ccc(O)cc2O)o1 83382239 RSDVITMPDYIDSK-JTQLQIEISA-N 250.258 0.248 10 10 CCCE NC(=O)CCSC[C@@H](O)COc1ccc(N)cc1 399355288 AFRJNLHHGLSNHX-JTQLQIEISA-N 270.354 0.617 10 10 CCCE CON1CCC(NCc2ccc(O)c(O)c2O)CC1 692098713 WTBFVPSZUCIVQU-UHFFFAOYSA-N 268.313 0.919 10 10 CCCE C[C@H](N[C@H]1CC(=O)N(C)C1=O)c1cc(O)ccc1O 88775629 MPOZCRHLLUWNDK-XVKPBYJWSA-N 264.281 0.506 10 10 CCCE [N-]=[N+]=NCCC(=O)N1C[C@@H]2COCC[C@]2(C(=O)O)C1 1615002202 ROKZBQCOKDXQEQ-KCJUWKMLSA-N 268.273 0.637 10 10 CCCE COCC(CNC(=O)c1ccc(O)c(O)c1)COC 1910264190 NHIDHSZKDXSYBY-UHFFFAOYSA-N 269.297 0.737 10 10 CCCE Nc1n[nH]c(CNC(=O)NCc2cc(Cl)ccc2O)n1 1675308877 DTLMIPMTFZNOOG-UHFFFAOYSA-N 296.718 0.745 10 10 CCCE N[C@@H]1CC[C@@H]1CC(=O)NCCc1ccc(O)c(O)c1 2126623494 TZWILTLAJQFLDY-GHMZBOCLSA-N 264.325 0.884 10 10 CCCE Nc1ccc(CNCCN2CCS(=O)(=O)CC2)cc1 2128196015 JEVFVKVJDNONBY-UHFFFAOYSA-N 283.397 0.089 10 10 CCCE C[C@]1(CO)C[C@@H](O)CN1c1ccc2c(c1)CC[C@H]2O 2128314002 ADQSDOLOIISRHH-BPLDGKMQSA-N 263.337 0.988 10 10 CCCE N[C@@H]1C[C@H]2CN(C(=O)c3cc(O)c(O)c(O)c3)C[C@H]12 2132418392 JRHCXYFAUQEAOJ-XHNCKOQMSA-N 264.281 0.223 10 10 CCCE N[C@H]1CC[S@](=O)(=NC(=O)c2cc(O)c(O)c(O)c2)C1 2132412959 IXBGKJRUZBBKPB-ZDVLTJLQSA-N 286.309 0.143 10 10 CCCE CN(CCCN=[N+]=[N-])Cc1nc(N(C)C)[nH]c(=N)n1 1912187459 HKDZEBKDFHWCCG-UHFFFAOYSA-N 265.325 0.482 10 10 CCCE COCCCNC(=O)CN1CCC(N=[N+]=[N-])CC1 1912165467 LDASJXBGOGLSPB-UHFFFAOYSA-N 255.322 0.914 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1912150437 SURDTGRUYZPOKD-QMMMGPOBSA-N 279.260 0.950 10 10 CCCE O=C1Nc2cc(N3C[C@H]4C[C@H]3[C@@H]4CO)ccc2[C@H]1O 2138271591 SHOQGNYGORQVHH-PDTKXNIZSA-N 260.293 0.489 10 10 CCCE O=C(Nc1ccnc(C(=O)O)c1)c1cc(O)nc(O)c1 110965804 QUQCWMUEYSMINX-UHFFFAOYSA-N 275.220 0.838 10 10 CCCE CCNCc1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CF)cc1 2140667178 XDDUSCPHXKSTSP-IHRRRGAJSA-N 268.332 0.676 10 10 CCCE COCC[C@@](C)(O)CNCc1ccc(O)c(O)c1 227541100 SWBBUVCVEMHLCW-CYBMUJFWSA-N 255.314 0.975 10 10 CCCE C[C@@H](c1c(O)cccc1O)N1C[C@H](O)C[C@H]1C(=O)O 2136127328 FYKGNTADGXDALT-YIZRAAEISA-N 267.281 0.679 10 10 CCCE C[C@H](O)c1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CO)cc1Cl 2136290077 YKMHBRZWYKCFCV-GIMBAOAISA-N 287.743 0.296 10 10 CCCE CN(C)C[C@@H]1COC[C@H]1NCc1cccc(O)c1O 2141450532 FVSHJKSROKYXPQ-VXGBXAGGSA-N 266.341 0.764 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H](N)CCO1 1966850645 NATACOPHDCYZCL-YPMHNXCESA-N 264.325 0.857 10 10 CCCE CNCc1cnc(Sc2nnc(O)n2C)s1 1939352109 DWJLRPUEPVZXAC-UHFFFAOYSA-N 257.344 0.848 10 10 CCCE CNC(=O)[C@@H]1COCCN1c1c(F)cc(CN)cc1F 128073641 QFJKXBWSXXCYNB-NSHDSACASA-N 285.294 0.375 10 10 CCCE O=[N+]([O-])c1cc2c(cc1N1CCN[C@@H]3C[C@@H]31)OCCO2 2152158564 JOFMKSLVKPLBBG-BDAKNGLRSA-N 277.280 0.917 10 10 CCCE NCc1cc(F)c(N(CCO)CCO)cc1Cl 2008205083 GQRMNRLFOIQHAW-UHFFFAOYSA-N 262.712 0.729 10 10 CCCE NC[C@@H]1C[C@H](NC(=O)Cc2ccc(O)c(O)c2)CCO1 2154219821 HFQNHCCVNWVOQK-MNOVXSKESA-N 280.324 0.263 10 10 CCCE Nc1ccc(OC[C@H](O)CN2CCCC2=O)cc1 2026933552 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CCOC=C1C(=N)N=C(N2CCCCC2)NC1=O 2294474354 HOBJGGHHTQHSMG-UHFFFAOYSA-N 250.302 0.856 10 10 CCCE OCc1cc(F)c(N2C[C@@H](O)[C@@H](O)[C@@H]2CF)c(F)c1 2333234207 PZFUOVZYIFQXHI-UMNHJUIQSA-N 277.242 0.337 10 10 CCCE OC[C@H]1[C@@H](O)[C@@H](O)CN1c1ccc2c(c1)CCCC2 2333689251 PRHFABUXEMIMJJ-SOUVJXGZSA-N 263.337 0.468 10 10 CCCE COc1ccc(N2C[C@@H](O)[C@@H]3COC[C@@H]32)cc1OC 2333692359 YTYMQJHQAXXPMZ-GRYCIOLGSA-N 265.309 0.900 10 10 CCCE O=S1(=O)C[C@H]2CN(Cc3ccc(F)c(F)c3O)C[C@@H]21 2336548425 JHUYXBXXRZMZEL-SCZZXKLOSA-N 289.303 0.899 10 10 CCCE COc1ccc(N2CCNC[C@H]2CC(N)=O)c(F)c1 2343318560 UKGSKSLXFVVYGW-SECBINFHSA-N 267.304 0.488 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1C[C@@]2(C(=O)O)C[C@@H]12 2354505599 BICNGRXTUVLATM-FZNYLWTLSA-N 277.276 0.620 10 10 CCCE CN1CCc2cc([C@@H](O)[C@@H]3CO[C@@H]4CNC[C@@H]43)ccc21 2354609008 RLVPKJINPMZYSJ-RRCSTGOVSA-N 274.364 0.947 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1C[C@@H]2CC[C@H]1N2 2355436426 VPNHOWZPABJYTJ-SDDRHHMPSA-N 276.336 0.897 10 10 CCCE CN(C)C(=O)CC(=O)NCCc1ccc(O)c(O)c1 122297167 MESHLNQRYAUKSK-UHFFFAOYSA-N 266.297 0.235 10 10 CCCE COC(=O)CCS(=O)(=O)NCc1ccc(N)cc1 42536083 BJZFZQVARZEOQJ-UHFFFAOYSA-N 272.326 0.251 10 10 CCCE C[C@@H](CC[S@](C)=O)Nc1c(N)cccc1C(N)=O 129541001 KQZNYYGATBXMAB-DCXZOGHSSA-N 269.370 0.937 10 10 CCCE NCC(=O)NCc1cc(Br)ccc1O 83431183 STBYRDXZBUFIGW-UHFFFAOYSA-N 259.103 0.730 10 10 CCCE CN(C)c1ccc(/C=C\C(=O)N[C@@H]2COC[C@H]2O)cc1 323003473 SQBFVUKVRCJSAX-WNFXYAGKSA-N 276.336 0.642 10 10 CCCE CNS(=O)(=O)CCN[C@@H](C)c1cc(O)ccc1O 230982777 WSXULUAWBDOOPR-QMMMGPOBSA-N 274.342 0.298 10 10 CCCE C[C@@H]1COC[C@H](C(=O)NCc2ccc(N(C)C)cc2)N1 2168308399 WYXOCTZNVDOCSJ-BXUZGUMPSA-N 277.368 0.746 10 10 CCCE CC(=O)C(=O)COC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C 808520871 ZKLKLXBOUBZBRZ-GUBZILKMSA-N 255.314 0.949 10 10 CCCE COC[C@H](CCN)NC(=O)c1cc(OC)nc(OC)c1 2166942079 FXGOVSIJJAAOKH-JTQLQIEISA-N 283.328 0.192 10 10 CCCE CN(C)c1ccc(/C=C/C(=O)N[C@H]2CNOC2)cc1 722479723 FNGJXVUGJMQKNB-ZCRIDZFUSA-N 261.325 0.785 10 10 CCCE CN[C@H]1CCC[C@@H](NC(=O)c2cc(O)nc(O)c2)C1 721633808 PVZJHZCAVJFXLD-VHSXEESVSA-N 265.313 0.753 10 10 CCCE CC(=O)C(=O)COC(=O)[C@@H]1Cc2cccc(C)c2O1 838240062 BONHLPZEPGNBNE-LBPRGKRZSA-N 262.261 1.000 10 10 CCCE [N-]=[N+]=N[C@@H]1CO[C@H](OCc2ccccc2)[C@H](O)[C@H]1N 687768369 XLIKUFDISLYEQN-KXNHARMFSA-N 264.285 0.927 10 10 CCCE CCOc1ccc(CN2CC[C@](O)(C(=O)OC)C2)c(O)c1 895707079 IMDHRJFEEVZTLC-OAHLLOKOSA-N 295.335 0.901 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@H](O)Cc1cnn(C)c1 787121788 OVDPMCIKEUDFAL-CQSZACIVSA-N 289.335 0.688 10 10 CCCE CC1(C)[C@@H](O)C[C@@]1(CO)NCc1ccc(O)cc1O 1879567419 UHGZCNYCNJQZJQ-JSGCOSHPSA-N 267.325 0.709 10 10 CCCE C[C@@H](N)c1cc(F)c(N2CC(NC(N)=O)C2)c(F)c1 1880924749 BDQBHSASIGWETP-ZCFIWIBFSA-N 270.283 0.841 10 10 CCCE C[C@@H]1CCN(C(=O)c2cccc(O)c2O)[C@H](C(N)=O)C1 1154942799 PMSAQJVLPWRKDW-SCZZXKLOSA-N 278.308 0.824 10 10 CCCE CN=[S@@](C)(=O)CCNC(=O)Cc1ccc(O)c(O)c1 1168161163 SQDVTMHVKXUDKL-IBGZPJMESA-N 286.353 0.484 10 10 CCCE N[C@H](C(=O)NC[C@@H]1CCCO1)c1cccc(F)c1O 83497075 NRACIXZWZURGEJ-KWQFWETISA-N 268.288 0.826 10 10 CCCE O=C(C(=O)N1CC[C@@H](CO)C1)N1Cc2cccc(O)c2C1 1329420510 SZXGLGWWKOKBLL-SNVBAGLBSA-N 290.319 0.075 10 10 CCCE CC(CO)(CO)NCc1c(O)cccc1Br 706863796 NOYLZFVQDMKQLA-UHFFFAOYSA-N 290.157 0.988 10 10 CCCE Cn1cc(CCC(=O)N2Cc3cccc(O)c3C2)nn1 1329668893 ZAHZFVCLGMOZFC-UHFFFAOYSA-N 272.308 0.996 10 10 CCCE CCOc1ccc(N2CCN(C(=O)CC(N)=O)CC2)cc1 1324626982 LWLVUIFHQQZCPR-UHFFFAOYSA-N 291.351 0.609 10 10 CCCE O=C1C[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)CN1 1295929540 ITHNQJLDEFMVQC-SSDOTTSWSA-N 292.316 0.931 10 10 CCCE C[C@@H](N)c1ccc(N2CC3(CNS(=O)(=O)C3)C2)cc1 2119565762 GDFOUIXXOJLBDK-SNVBAGLBSA-N 281.381 0.446 10 10 CCCE C[C@]1(C(N)=O)CCN(C(=O)Cc2ccc(O)c(O)c2)C1 1556333521 JNONIKMEAYWHAN-AWEZNQCLSA-N 278.308 0.364 10 10 CCCE O=C(CS(=O)(=O)C1CC1)NCc1ccccc1O 1631540156 LHTMCKDHWVOYFZ-UHFFFAOYSA-N 269.322 0.586 10 10 CCCE CN(C)c1ccc(CNC(=O)C2(O)COC2)cc1 1587317183 SNFVFOJRVNHWOF-UHFFFAOYSA-N 250.298 0.130 10 10 CCCE O=C(NCc1nc2ncccn2n1)NCc1ccccc1O 1686824980 NFSWEOSHZANXPX-UHFFFAOYSA-N 298.306 0.829 10 10 CCCE CN1CCN(c2ccc3c(c2)CC[C@H]3O)C[C@@H]1CO 2128324879 LIUBJFONUOBQHW-UKRRQHHQSA-N 262.353 0.779 10 10 CCCE CO[C@H](C(=O)O)C(=O)N(C)Cc1ccc(N(C)C)cc1 901605365 SKEPZVGMFPCOOL-LBPRGKRZSA-N 280.324 0.811 10 10 CCCE Cc1nc(CNC(=O)c2ccc(O)c(O)c2)nn1C 2134181263 WLQFGMIVXOQSHL-UHFFFAOYSA-N 262.269 0.465 10 10 CCCE C[C@@H](O)c1ccc(N(C)[C@@H]2CCNC2=O)c([N+](=O)[O-])c1 1916801491 MJQLFNFHXYPBHN-LDYMZIIASA-N 279.296 0.973 10 10 CCCE NC(=O)N1CC(NCc2cccc(Cl)c2O)C1 1917775949 HYSJWHUQMOPEPH-UHFFFAOYSA-N 255.705 0.898 10 10 CCCE CC[C@H]1C[C@]1(N)C(=O)NCCc1ccc(O)c(O)c1 2141316181 PMVVAECEJSWORL-IINYFYTJSA-N 264.325 0.884 10 10 CCCE COc1cc(N(C)[C@H]2CCS(=O)(=O)C2)ccc1CO 2139683531 XSQVZARZUFLXOP-LBPRGKRZSA-N 285.365 0.811 10 10 CCCE COc1cc(N2CCC(C(N)=O)CC2)ccc1CO 2139704421 LFKLOJYCHHZLHQ-UHFFFAOYSA-N 264.325 0.889 10 10 CCCE C[C@@H]1CN[C@H](C(=O)N(C)Cc2ccccc2O)CO1 1968865104 IDWPYOJCRQZKKD-PWSUYJOCSA-N 264.325 0.728 10 10 CCCE CN(C)Cc1cc([C@@H]2CCN[C@H]2CO)ccc1O 1952537867 JBTOSUITFOGVAJ-STQMWFEESA-N 250.342 0.892 10 10 CCCE CSCCN(CC(=O)O)C(=O)Cc1ccc(O)c(O)c1 2144020585 UYLNOEACYSYSKQ-UHFFFAOYSA-N 299.348 0.917 10 10 CCCE Nc1ccc(OCC(=O)N2CCCNC(=O)CC2)cc1 2145349400 QXBHWNYCVUKPNM-UHFFFAOYSA-N 277.324 0.386 10 10 CCCE C[C@]1(CNC(=O)COc2ccc(N)cc2)COCCO1 2145378287 XJIMYXCASFFORC-AWEZNQCLSA-N 280.324 0.569 10 10 CCCE O=S1(=O)C[C@@H]2[C@H](NCc3ccccc3O)[C@@H]2C1 2006198674 YIMYMGZALHEYII-PEGIJTEDSA-N 253.323 0.525 10 10 CCCE N=c1[nH]c(CNC(=O)c2cccc(O)c2O)cs1 2029514012 ZOAVJABRKASZBK-UHFFFAOYSA-N 265.294 0.897 10 10 CCCE CCC(=O)NCCCNS(=O)(=O)Cc1ccc(N)cc1 2158723749 LAVJRZAPWATWOG-UHFFFAOYSA-N 299.396 0.605 10 10 CCCE COc1ccc(N2C[C@@H]3OCCO[C@@H]3C2)c(N)c1 2032416127 LPHWCYROYDOXMI-BETUJISGSA-N 250.298 0.881 10 10 CCCE C[C@@H]1CCN(c2cc3c(cc2N)OCC(=O)N3)C[C@H]1O 299953052 KLAUDYRNHGHZCL-PRHODGIISA-N 277.324 0.807 10 10 CCCE NCc1ccc(N2CC[C@H]3C(=O)NC(=O)[C@@H]3C2)c(Cl)c1 2158784759 JYBHQKLXGOIUOP-NXEZZACHSA-N 293.754 0.898 10 10 CCCE CC1(CN)CN(C(=O)Cc2ccc(O)c(O)c2)C1 2034781007 BYOLRKQYUPIBGX-UHFFFAOYSA-N 250.298 0.448 10 10 CCCE COCCNC(=O)CN1CCC[C@@H](N=[N+]=[N-])CC1 2038006913 JMYSUCZZAUDZHJ-SNVBAGLBSA-N 255.322 0.914 10 10 CCCE O=S1(=O)CCN(c2ccc3c(c2)CNCCO3)CC1 312043012 XIXCZHOHTTXIQR-UHFFFAOYSA-N 282.365 0.403 10 10 CCCE Cc1cc(NS(=O)(=O)c2c(CO)cnn2C)ccc1O 2157741271 RKZNVPWUWAGCQI-UHFFFAOYSA-N 297.336 0.727 10 10 CCCE CN1CCc2cc(CN3CCOC[C@@H]3C(=O)O)ccc21 88381426 DTSZQDMACMDYKN-CQSZACIVSA-N 276.336 0.964 10 10 CCCE O=C(NCc1ccccc1O)[C@H]1CNCCS1 699037239 RNHYCLZGLRPFGS-LLVKDONJSA-N 252.339 0.713 10 10 CCCE C[C@@H]1CN(C)CC[C@@]1(NCCCN=[N+]=[N-])C(N)=O 382996150 ZZYHFOSDZPPWBR-KOLCDFICSA-N 254.338 0.472 10 10 CCCE C[C@]1(CO)C[C@H](O)CN1CCOc1ccc(N)cc1 698151659 OSYKZBSJVOBARW-GXTWGEPZSA-N 266.341 0.465 10 10 CCCE CCOC[C@H](O)CNC(=O)CCc1ccc(N)cc1 388916164 WAJFTPUUVXODNN-CYBMUJFWSA-N 266.341 0.715 10 10 CCCE C[C@H](O)[C@@H](C)NC(=O)CCOc1ccc(N)cc1 395755752 GPYJOJLOPYZVPL-ZJUUUORDSA-N 252.314 0.923 10 10 CCCE CCOC1(CO)CN(C(=O)COc2ccc(N)cc2)C1 2172990251 CNVDPYAAYZAWCH-UHFFFAOYSA-N 280.324 0.257 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3C[C@@H](O)C4(CCC4)C3)ccc21 2165054768 BRCBLVBEIZVOSW-OLZOCXBDSA-N 273.336 0.990 10 10 CCCE COc1cccc(O)c1CN1C[C@@H](O)[C@@H](CC(=O)O)C1 2174350615 FNIJIDLPSNTJCB-JOYOIKCWSA-N 281.308 0.668 10 10 CCCE Nc1ccc(CC(=O)N2CCN(C3COC3)CC2)cc1 2169575848 MGUAYYZXQMDPMK-UHFFFAOYSA-N 275.352 0.354 10 10 CCCE NC(=O)c1cccc(N)c1N[C@@H]1CC(=O)N2CCC[C@@H]12 2188504846 SYTFMPIISFIXNP-MNOVXSKESA-N 274.324 0.543 10 10 CCCE O=C(NC[C@H]1C[C@@H](O)CCO1)c1cc(O)c(O)c(O)c1 2188867685 FJDLQSJYRJGWQY-DTWKUNHWSA-N 283.280 0.073 10 10 CCCE Nc1ccc(OCCN2C[C@H](CO)OCC23CC3)cc1 2183972582 UALBTNRGDNTARS-CQSZACIVSA-N 278.352 0.873 10 10 CCCE Nc1ccc(CNC(=O)NC2CCS(=O)(=O)CC2)cc1 2197928375 KLFWDJOTLWOJKR-UHFFFAOYSA-N 297.380 0.645 10 10 CCCE N[C@H]1CCc2cc(N3CC4(CNS(=O)(=O)C4)C3)ccc21 2184736593 VGSVKNVNBXOJDA-ZDUSSCGKSA-N 293.392 0.372 10 10 CCCE NCc1ccc(N2C[C@H]3C[C@H]2[C@@H](O)[C@@H]3O)cc1Cl 2042556785 PQKAULYLWQMRHI-GHORINQJSA-N 268.744 0.729 10 10 CCCE C[S@](=O)C1CN(c2ccc(CO)cc2[N+](=O)[O-])C1 2051892857 VEPALRWRNXTOSG-SFHVURJKSA-N 270.310 0.654 10 10 CCCE C[C@@H]1CC[C@H](N)CN1c1cc2c(cc1N)OCC(=O)N2 2191567772 SXBLWQXVJRKIKD-BDAKNGLRSA-N 276.340 0.916 10 10 CCCE NC(=O)C1(CNC(=O)c2cccc(O)c2O)CC1 2057414497 UCHQNFFWCJVERV-UHFFFAOYSA-N 250.254 0.093 10 10 CCCE CN(C[C@@H]1COCCN1)C(=O)CCc1ccc(N)cc1 2191674338 OUOISTCROLEORN-CQSZACIVSA-N 277.368 0.648 10 10 CCCE C[C@]1(C(=O)O)COCCN1C(=O)Cc1ccc(N)cc1 2201204498 CNMRGTJPGADWLR-CQSZACIVSA-N 278.308 0.513 10 10 CCCE O=C(NCc1ccccc1O)[C@H]1OCC[C@H]1C(=O)O 2100805155 HUAVXBYCAPCTQQ-KOLCDFICSA-N 265.265 0.498 10 10 CCCE C[C@H](NC(=O)NCCc1ccc(O)c(O)c1)C(=O)O 2100801643 FZKFQTUXDPBYAN-ZETCQYMHSA-N 268.269 0.413 10 10 CCCE Oc1ccc(CN[C@H]2CCc3nncn3C2)c(O)c1 2103719755 CYRMOCQORCJTES-JTQLQIEISA-N 260.297 0.794 10 10 CCCE Nc1ccc(CS(=O)(=O)NCCc2cnn[nH]2)cc1 2089747947 NCUKCQFNWAUOJQ-UHFFFAOYSA-N 281.341 0.049 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1C[C@@H]2C(CO)[C@H]2C1 2090730694 RZAWJTHVIIKUAC-UWVGGRQHSA-N 263.293 0.337 10 10 CCCE NCc1ccc(N2C[C@H](CO)[C@@H](CCO)C2)cc1F 2093495956 NHVHCUBOAZHMBB-NWDGAFQWSA-N 268.332 0.712 10 10 CCCE COc1cc(N)c(N2CC[C@H](O)[C@@](C)(O)C2)cc1OC 2201491056 ALACYVJWBZVYKI-KBPBESRZSA-N 282.340 0.608 10 10 CCCE C[C@@H](c1cc(F)ccc1O)N1CC(=O)NC[C@@H]1C(=O)O 2201034744 AJIJSJBJJIHUHS-OIBJUYFYSA-N 282.271 0.477 10 10 CCCE N[C@H]1CN(c2ccc3c(c2)COCC3)CC[C@@H]1CO 2122379921 JFOWVYNCWVYSBD-DOMZBBRYSA-N 262.353 0.905 10 10 CCCE COc1cc(N2CC[C@H](OCC(N)=O)C2)ccc1CO 2204551589 UGMGUWXBPONUFU-LBPRGKRZSA-N 280.324 0.268 10 10 CCCE COc1cc(N2C[C@@H]3C[C@H](C2)[C@@H](O)[C@H]3O)ccc1CO 2204566722 PGVUBCNNAZPTIB-HGSJOUDDSA-N 279.336 0.365 10 10 CCCE O=[N+]([O-])c1cc(NS(=O)(=O)C2COC2)ccc1O 2220603605 CAFKVZRFYPEMEX-UHFFFAOYSA-N 274.254 0.441 10 10 CCCE Cc1cc([C@H](C)O)ccc1N1CC[C@@H](O)[C@@H](O)C1 2223973784 SKYCOJDXXKORSD-GDLCADMTSA-N 251.326 0.980 10 10 CCCE Nc1ccc(CS(=O)(=O)N2[C@H]3CCC[C@H]2CNC3)cc1 2234677373 FNCLWYFXJASXFJ-KBPBESRZSA-N 295.408 0.925 10 10 CCCE COc1ccc(N2CC[C@H]3CS(=O)(=O)C[C@@H]32)c(CN)c1 2235954237 KSVCYTPKMHNSDO-HZMBPMFUSA-N 296.392 0.777 10 10 CCCE CNCc1ccc(N2CC[C@H]2[C@H](O)CO)cc1C 2258336804 XFBFTZUANADLPN-UONOGXRCSA-N 250.342 0.646 10 10 CCCE CO[C@H]1[C@@H](N[C@H](C)c2c(O)cccc2O)C[C@H]1O 2258693895 YUPARVIUVNFAHA-DQRYNJFASA-N 253.298 0.897 10 10 CCCE CN(CC1(O)CNC1)c1ccc2c(c1)OCCO2 2259116146 NCJQFYCDZDBHTP-UHFFFAOYSA-N 250.298 0.228 10 10 CCCE O=C(CN1C[C@@H]2C[C@H](C1)[C@@H]2O)c1ccc(O)c(O)c1 2270705116 NQTDNYCRHPLIBW-MSRIBSCDSA-N 263.293 0.593 10 10 CCCE CC(C)C[C@H](NCc1ccc(O)c(O)c1O)C(N)=O 2264462050 XVAYTGOPUZFQJF-VIFPVBQESA-N 268.313 0.793 10 10 CCCE O=[N+]([O-])c1cc(N2CC[C@H](O)[C@@H](O)CC2)ccc1CO 2284543122 YXGOBLLPGVZSIL-STQMWFEESA-N 282.296 0.409 10 10 CCCE Cc1cc(N2CC[C@@](O)(CO)[C@@H](O)C2)ccc1[C@H](C)O 2285154946 ZBFBEFQUQKFZPU-TUKIKUTGSA-N 281.352 0.343 10 10 CCCE COc1cc(OC)c(N2C[C@@H](N)[C@H](OC)C2)cc1OC 2289377988 JFIXHLCKVSZSCU-YMTOWFKASA-N 282.340 0.875 10 10 CCCE CN(Nc1nc2c(s1)CNC2)S(=O)(=O)C1CC1 2301524878 HVGAMOHZBSTFCH-UHFFFAOYSA-N 274.371 0.497 10 10 CCCE Cc1c(CN)ccc(N2CCS(=O)(=O)CC2)c1C 2319471228 GHSKNSROOXMLCX-UHFFFAOYSA-N 268.382 0.997 10 10 CCCE CN1C(=O)COc2cc(N=NN3CCNCC3)ccc21 2330246229 ULGNTCYOGQDRNS-UHFFFAOYSA-N 275.312 0.946 10 10 CCCE Nc1cc2c(cc1N1C[C@@H]3C[C@H](O)[C@H]1C3)OCCO2 2330780059 PJDOQWQBTDMHGY-AXTRIDKLSA-N 262.309 1.000 10 10 CCCE C[C@H](N)c1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)cc1Cl 2332923709 XGLGDCVECOILQQ-VGYUKGMSSA-N 286.759 0.262 10 10 CCCE CN(C)c1ccc(CNC(=O)[C@@H]2[C@H]3CN[C@@H]2C3)cc1 2333040395 VJILGBNKZZIZDY-MRVWCRGKSA-N 259.353 0.977 10 10 CCCE C[C@@H](N)[C@@](C)(NCc1ccc2c(c1)CCO2)C(=O)O 2351450319 NNRNXLLITYKJPZ-YMTOWFKASA-N 264.325 0.902 10 10 CCCE CN[C@@H](C)c1ccc(N2C[C@@H](O)[C@@H]3COC[C@@H]32)cc1O 2354367107 BBTPVLBFBSVADF-BYDSVVRCSA-N 278.352 0.869 10 10 CCCE CCOC(=O)[C@@H]1CCN[C@H]1c1cc(O)nc(O)c1 1952993206 KILFCSPQEQBDEO-KCJUWKMLSA-N 252.270 0.707 10 10 CCCE CN(CCOCCO)CC(=O)c1ccc(O)c(O)c1 302365324 LHJYONITSYDWHD-UHFFFAOYSA-N 269.297 0.221 10 10 CCCE Oc1cccc(-c2nc([C@@H]3CN4CCN3CC4)no2)c1O 126881388 QOFNBKGLKKEFEG-JTQLQIEISA-N 288.307 0.820 10 10 CCCE NCc1ccc(N(CC(=O)N2CCOCC2)C2CC2)cc1 34655578 KUSWVCRCGQQEJC-UHFFFAOYSA-N 289.379 0.973 10 10 CCCE C[C@H](c1ccc(O)cc1O)N(C)CC(=O)N1CCNCC1 38030928 YZGIDRKENGHLLM-LLVKDONJSA-N 293.367 0.522 10 10 CCCE C[C@@H](O)CN(Cc1cc([N+](=O)[O-])ccc1O)[C@H](C)CO 249008255 ZSYCEQDOJYCFDR-NXEZZACHSA-N 284.312 0.864 10 10 CCCE Cc1cc(CN)ccc1N1CC(NS(=O)(=O)C(C)C)C1 2165629144 SFEMQMHHAFZMBL-UHFFFAOYSA-N 297.424 0.970 10 10 CCCE Cc1cc(NS(=O)(=O)N2CCNC[C@@H]2C)c(C)cc1O 2162239975 RXTYYXDXTOCVFN-NSHDSACASA-N 299.396 0.959 10 10 CCCE CNCCS(=O)(=O)N(C)Cc1ccc(N(C)C)cc1 722233562 GVXSPXPTWIFGRG-UHFFFAOYSA-N 285.413 0.734 10 10 CCCE O[C@@H]1COCCN(Cc2ccc(N3CCOCC3)cc2)C1 824620428 ODJLYMJFXNAWDT-INIZCTEOSA-N 292.379 0.716 10 10 CCCE CN1CC[C@H](N(C)C(=O)c2ccc(O)c(O)c2)C1 385288774 OCMBHFKPKRGVHO-JTQLQIEISA-N 250.298 0.874 10 10 CCCE CN(C)c1ccc(/C=C\CNC[C@@H](O)CO)cc1 835045155 KDYOTWWVHPYFLJ-VQTKUKTRSA-N 250.342 0.709 10 10 CCCE C[C@H](CC(=O)NCc1ccc(N(C)C)cc1)NC(N)=O 847296957 VDMSDVQTBPMCCN-SNVBAGLBSA-N 278.356 0.816 10 10 CCCE C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(N)cc2)[C@@H](C)O1 868285101 GJKPIDKTANYOEL-LNLATYFQSA-N 277.324 0.889 10 10 CCCE COC(=O)[C@@H]1CN(c2ccc(OC)cc2N)CCO1 1876000196 PIRNHQGDDVDPPR-LBPRGKRZSA-N 266.297 0.656 10 10 CCCE COc1cc(C)cc(CN[C@H]2CCNC2=O)c1O 895227054 YZYYSABGRJCDDU-JTQLQIEISA-N 250.298 0.687 10 10 CCCE C[C@@H](N=c1ccc(C(N)=O)n[nH]1)c1ccccc1O 1877586817 MPDPIARUYZSPIK-MRVPVSSYSA-N 258.281 0.876 10 10 CCCE C[C@H](O)c1cc(F)c(N2CC(NC(N)=O)C2)c(F)c1 1880478683 HQGFLWBOOBLBEH-LURJTMIESA-N 271.267 0.875 10 10 CCCE O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CCC(=O)NC1=O 1179689085 CLZZWSLICYXXTC-MAHOQKISSA-N 290.275 0.032 10 10 CCCE OC[C@H](C[C@@H]1CCOC1)NCc1cccc(O)c1O 1883201675 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CC(C)CN(Cc1nn[nH]n1)C(=O)c1cccc(O)c1O 1558163307 MJWARSWQZRQPHN-UHFFFAOYSA-N 291.311 0.909 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NCCN1CCC(O)CC1 1624293254 BJCLIXXACHAMBH-UHFFFAOYSA-N 294.351 0.213 10 10 CCCE NCc1ccc(N2CCC[C@H]2[C@H](O)CO)c(F)c1F 2123239048 MBQNXBNVNZQGGM-GXSJLCMTSA-N 272.295 0.746 10 10 CCCE C[C@H]1CN2CCN1C[C@H]2C(=O)NCc1c(O)cccc1O 1645362712 AGOFRQSBRREBAU-JQWIXIFHSA-N 291.351 0.102 10 10 CCCE N[C@@H](C(=O)O)[C@@H]1CCN(c2ccc3c(c2)OCO3)C1 250028657 POYILKVRJAGAIY-PRHODGIISA-N 264.281 0.654 10 10 CCCE C[C@H](O)[C@H]1CCN(C(=O)[C@@H](N)Cc2ccc(O)c(O)c2)C1 167724498 MGFMKSQTGPRGJM-DLOVCJGASA-N 294.351 0.197 10 10 CCCE CN1C[C@H](c2ccc(N(C)C)cc2)N(C)C(=O)C1=O 258621693 BMQQRXYBOMRQAP-GFCCVEGCSA-N 261.325 0.724 10 10 CCCE N=c1[nH]c(OCc2ccc(N)cc2)ncc1[N+](=O)[O-] 2128111161 XDUPUDDGFGQHGX-UHFFFAOYSA-N 261.241 0.959 10 10 CCCE Nc1ccc(O)c(CN2CCN3CCOC[C@@H]3C2)c1 2129373251 MBPXKMWUEDKIKQ-ZDUSSCGKSA-N 263.341 0.491 10 10 CCCE COC[C@H]1C[C@H](NC(=O)c2cc(O)c(O)c(O)c2)C1 2132418910 ONVLRTQNXBIAEY-XWEPSHTISA-N 267.281 0.958 10 10 CCCE CN(C)c1ccc(C=CC(=O)N2C[C@H](O)[C@H](O)C2)cc1 1911926443 VEPRZCOEYYNUIA-OKILXGFUSA-N 276.336 0.330 10 10 CCCE C[C@H]1[C@H](O)CCN1C(=O)COc1ccc(N)cc1 1914429599 FURYRPRRGULTFD-JOYOIKCWSA-N 250.298 0.629 10 10 CCCE [N-]=[N+]=NC[C@H]1CCN(S(=O)(=O)c2cn[nH]c2)C1 1912171900 PXMVUISHJCNMOG-SSDOTTSWSA-N 256.291 0.731 10 10 CCCE [N-]=[N+]=NC[C@H]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 1912186495 DYGXFYHDQOONHN-MRVPVSSYSA-N 279.260 0.950 10 10 CCCE [N-]=[N+]=NC1CN(C(=O)CCN2C(=O)CCC2=O)C1 1912163736 NCDMLOADADZTAC-UHFFFAOYSA-N 251.246 0.047 10 10 CCCE Cc1cc(N2CC(O)(C(N)=O)C2)ccc1CNC(C)C 1915206270 RBEVXWLERKCMSU-UHFFFAOYSA-N 277.368 0.529 10 10 CCCE Cc1cc(CN)ccc1N1CC[C@H]2C[C@H]1[C@@H](O)[C@H]2O 2134817018 OSVSYWQNRDBBFN-CYUUQNCZSA-N 262.353 0.774 10 10 CCCE CC1(C)C(=O)NCCN1c1ccc2c(c1)NC(=O)[C@@H]2N 110658509 HJDKRVAQRROMNU-LLVKDONJSA-N 274.324 0.353 10 10 CCCE CS[C@H](CO)[C@@H](C)NC(=O)COc1ccc(N)cc1 228113119 KATVVEBEDGPUHB-BXKDBHETSA-N 284.381 0.876 10 10 CCCE COc1cc(N2CCO[C@@H]3COC[C@H]32)ccc1CO 2139698942 OXTPSGARIQAJBU-TZMCWYRMSA-N 265.309 0.792 10 10 CCCE COC(=O)c1n[nH]cc1[C@@H](N)Cc1ccc(O)c(O)c1 1952233469 HDJIVDRPQDPQDJ-VIFPVBQESA-N 277.280 0.850 10 10 CCCE CNCc1ccc(N2CC[C@@H](OCC(N)=O)C2)cc1C 2145376474 BPSNQTGKKMQVSU-CQSZACIVSA-N 277.368 0.795 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCN(S(=O)(=O)C2CC(=O)C2)C1 2005392353 DYEGAIBWYFKWPP-ZETCQYMHSA-N 258.303 0.680 10 10 CCCE COC[C@@]1(O)CCN(CC(=O)Nc2ccc(N)cc2)C1 2151887444 WMPQNZHDNBYUDY-CQSZACIVSA-N 279.340 0.291 10 10 CCCE CN1CCO[C@@H]2CN(CCOc3ccc(N)cc3)C[C@@H]21 2153994570 DNDPDMUPGRCFON-LSDHHAIUSA-N 277.368 0.662 10 10 CCCE Cc1ccc(CNC[C@H](C)S(N)(=O)=O)c(O)c1 2024809333 YJRRJYFAGUIMQA-VIFPVBQESA-N 258.343 0.467 10 10 CCCE COCCNCc1cc(F)c(N(C)CC(N)=O)c(F)c1 62735613 MEMMSPCMBCBVQK-UHFFFAOYSA-N 287.310 0.622 10 10 CCCE COC(=O)[C@H](C)NC(=O)N(C)c1ccc(N)cc1 2039304052 FBACWXZXZPJPDN-QMMMGPOBSA-N 251.286 0.976 10 10 CCCE C[C@H]1OC2(CN)CC1(NC(=O)c1ccc(O)c(O)c1)C2 2156850775 AXHDLHHRGLAANL-UWEQVVMYSA-N 278.308 0.476 10 10 CCCE CN1CCOC[C@@H]1CNCc1cc(F)ccc1O 700154954 FSKDXWLLPMXBQF-LBPRGKRZSA-N 254.305 0.952 10 10 CCCE CN1CC[C@@](O)(CNCc2ccc3c(c2)CCN3C)C1 702560263 DEUZFEWLRXUGHL-MRXNPFEDSA-N 275.396 0.835 10 10 CCCE C[C@@]1(CO)CN(c2ccc(CO)cc2)C[C@]1(C)CO 704262766 PSDGAAAPNTYKGS-GASCZTMLSA-N 265.353 0.996 10 10 CCCE C[C@H](N)c1ccc(N2C[C@@H](CO)[C@H](CO)C2)cc1O 704777062 ZKGZWPTUUJGQED-DCAQKATOSA-N 266.341 0.449 10 10 CCCE C[C@H]1CN(Cc2cc(N)ccc2O)CCS1(=O)=O 707109764 UPPBMQJMHQYVMF-VIFPVBQESA-N 270.354 0.593 10 10 CCCE CC(C)N1CC[C@H](NC(=O)c2ccc(O)c(O)c2)C1=O 709114461 XPJFJQLJXHAGNI-JTQLQIEISA-N 278.308 0.837 10 10 CCCE COC[C@](C)(O)CNC(=O)CCOc1ccc(N)cc1 382587430 XXGMKRPHQIWLNE-CQSZACIVSA-N 282.340 0.551 10 10 CCCE C[C@@H]1C[S@@](=O)CCN1C[C@@H](O)COc1ccc(N)cc1 2171966523 WBKRHPLHTFIWFY-YZRASEIHSA-N 298.408 0.461 10 10 CCCE NC(=O)CC[S@](=O)CCCOc1ccc(N)cc1 399347282 WWPXNHXUGAUYJJ-GOSISDBHSA-N 270.354 0.662 10 10 CCCE C[C@H](NCC[C@@H](O)CCO)c1c(O)cccc1O 2326774521 HTWBMOSAWAIGPF-VHSXEESVSA-N 255.314 0.882 10 10 CCCE Cc1cc(O)n2ncc(C(=O)NC[C@@H]3CCC[C@H]3O)c2n1 2064431681 QYKNBSKAGNFPML-GXSJLCMTSA-N 290.323 0.634 10 10 CCCE CC[C@@H](CO)N(C)C(=O)c1cnn2c(O)cc(C)nc12 2064650714 AXZLFXCAQAVAQL-VIFPVBQESA-N 278.312 0.586 10 10 CCCE O=C(CN1CCC[C@H]1[C@H](O)CO)c1ccc(O)c(O)c1 2179799034 MWAMFPOCYOPULO-IINYFYTJSA-N 281.308 0.098 10 10 CCCE O=[N+]([O-])c1cc(N2CC[C@H](O)[C@@H](CO)C2)ccc1CO 2188575176 FWFCLDXTDAQAQT-MFKMUULPSA-N 282.296 0.267 10 10 CCCE C[C@H](N)C[S@@](C)(=O)=NC(=O)c1ccc(O)c(O)c1 2042223806 WRPOSQWPCRURSM-ULCDLSAGSA-N 272.326 0.683 10 10 CCCE Cc1cccc(O)c1CN[C@H](C(=O)O)C1COC1 2042965913 QBXVEMZPCCUEQE-LBPRGKRZSA-N 251.282 0.890 10 10 CCCE CN(c1ccc2c(c1)CCC[C@@H]2N)[C@H]1CC(=O)NC1=O 2184685566 YWUNVJJZGXZVQQ-STQMWFEESA-N 273.336 0.874 10 10 CCCE [N-]=[N+]=NCCCN1CCOC[C@]2(COCCN2)C1 2054253911 UZTVNBYXIKXLAR-LLVKDONJSA-N 255.322 0.378 10 10 CCCE CN(C)S(=O)(=O)c1ncn(-c2ccc(N)cc2)n1 2058713574 WKNNUJQRGGJGOU-UHFFFAOYSA-N 267.314 0.100 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN1[C@H]1CN(C2CC2)C[C@H]1O 2059051650 PVHCUUQRLBSHCL-GRYCIOLGSA-N 251.334 0.969 10 10 CCCE COc1ccc(N2CC[C@H](N)[C@H](CO)C2)c(N)c1 2071737510 CSONRJISIWYUJS-ONGXEEELSA-N 251.330 0.423 10 10 CCCE C[C@H](N)[C@H](C)NC(=O)CCOc1ccc(N)cc1 2071724138 CXBKLHMOCBNCFS-UWVGGRQHSA-N 251.330 0.890 10 10 CCCE COc1ccc(N(C)C[C@]2(O)CNCCOC2)cc1 2100531470 QXKFKGOFYULUED-CQSZACIVSA-N 266.341 0.482 10 10 CCCE COCCN1C[C@H](O)[C@H](N2CC[C@@H](CN=[N+]=[N-])C2)C1 2100658732 MVGMYMBXGFIXIM-TUAOUCFPSA-N 269.349 0.310 10 10 CCCE CN(Cc1ccccc1O)C(=O)c1cc(CN)[nH]n1 2102007972 QNZJBJLAGDWJOH-UHFFFAOYSA-N 260.297 0.846 10 10 CCCE O=C(O)[C@@H]1[C@@H]2OCCN(Cc3c(O)cccc3F)[C@H]21 2104492860 SVQJDKGBJJUHSQ-SRVKXCTJSA-N 267.256 0.815 10 10 CCCE CN(C)c1ccc([C@H](CCn2cnnc2)NN)cc1 2106828247 KQONOXPRHVWYLX-ZDUSSCGKSA-N 260.345 0.939 10 10 CCCE Nc1ccc(O)c(CNC(=O)N2CCC[C@@H]2CO)c1 2108425372 NXTXSRRRFWDZBU-LLVKDONJSA-N 265.313 0.641 10 10 CCCE NC(=O)[C@@H]1CCN1c1cc2c(cc1Cl)[C@@H](N)C(=O)N2 2089365768 NABIESFHGWOGAV-WCBMZHEXSA-N 280.715 0.356 10 10 CCCE O=C(O)[C@@H]1C[C@@H](F)CN1C(=O)c1ccc(O)c(O)c1 2095589182 OULJOEBCRBGSBX-SFYZADRCSA-N 269.228 0.735 10 10 CCCE CN1CCO[C@@H]2CN(c3ccc(CO)cc3F)C[C@@H]21 2097691634 BKJXTHQMDBKRHY-UONOGXRCSA-N 266.316 0.837 10 10 CCCE Nc1ccc(CC(=O)N2CC(O)(C(F)(F)F)C2)cc1 2114017761 LMMKFNLJTNTNOF-UHFFFAOYSA-N 274.242 0.947 10 10 CCCE OC[C@H]1CN(c2ccc3c(c2)OCCCO3)C[C@@H]1CO 2235120813 QIVTZSDGZCXWHH-VXGBXAGGSA-N 279.336 0.885 10 10 CCCE COc1cc(C)c(N2CC[C@@](O)(CO)[C@@H](O)C2)cc1C 2235105005 FELODHFSGLWBFU-LSDHHAIUSA-N 281.352 0.606 10 10 CCCE COc1ccc(N2C[C@@H]3OC[C@@H](CO)[C@@H]3C2)c(CO)c1 2236002835 OJFPICJZDFMNLE-ZLDLUXBVSA-N 279.336 0.631 10 10 CCCE COc1ccc(N2CC[C@@](O)(CO)[C@H](O)C2)c(F)c1 2226785053 AJGGKJVIXTWOAC-CHWSQXEVSA-N 271.288 0.129 10 10 CCCE COc1ccc(N2C[C@H](O)[C@@H]3COC[C@@H]32)c(C=O)c1 2227688467 QROOUSREBWRGPZ-XBFCOCLRSA-N 263.293 0.704 10 10 CCCE Cc1cc(O)cc(C)c1NS(=O)(=O)c1cn(C)[nH]c1=N 2239638307 MWQGGJXTENAIPZ-UHFFFAOYSA-N 296.352 0.956 10 10 CCCE CSc1ncc(CNC(=O)[C@]2(O)CCCNC2)s1 2256943413 RLPMNXAEAKPCGF-NSHDSACASA-N 287.410 0.596 10 10 CCCE CN[C@@H]1CCc2cc(N3CC[C@H]3[C@@H](O)CO)ccc21 2270714842 YJEUFLOTTZSODY-ILXRZTDVSA-N 262.353 0.825 10 10 CCCE NCc1ccc(N2C[C@@H]3OC[C@H](CO)O[C@H]3C2)c(Cl)c1 2279776962 YSQPRIOKGOQBJN-BPNCWPANSA-N 298.770 0.764 10 10 CCCE C[C@H](C(=O)Nc1ccc(N)cc1)N1CC[C@@H]1[C@H](O)CO 2286205724 GLDNYTSZOXHBMJ-OASPWFOLSA-N 279.340 0.023 10 10 CCCE COC[C@H]1C[C@H](CN)N(C(=O)c2ccc(O)c(O)c2)C1 2289502184 ZJEBXTDMUJNCSF-GXSJLCMTSA-N 280.324 0.534 10 10 CCCE N[C@@H]1CC[C@H]1S(=O)(=O)NCc1ccccc1O 2300767881 JAESAMYKKVONKO-MWLCHTKSSA-N 256.327 0.301 10 10 CCCE CC[C@@H]1C(=O)NCCN1C(=O)C=Cc1ccc(O)c(O)c1 2307987238 MCYFIKCUJNGHLD-LLVKDONJSA-N 290.319 0.848 10 10 CCCE NCc1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CF)c(Cl)c1 2311999144 PFXFDIXJBHXIOW-UTUOFQBUSA-N 274.723 0.679 10 10 CCCE N=c1[nH]c(N)c(Cl)c(=NCc2ccc(N)cc2)[nH]1 2315796773 RHJOIAFJWZELHR-UHFFFAOYSA-N 264.720 0.741 10 10 CCCE CS(=O)(=O)[C@H]1CC[C@@H]1NCc1ccc(O)c(O)c1 2319829396 SJBHVGFYGJSYON-CABZTGNLSA-N 271.338 0.763 10 10 CCCE CC(C)[C@H](N)C(=O)N1CCc2cc(O)c(O)cc2C1 2341155743 TYNLYVVKDFKXAH-ZDUSSCGKSA-N 264.325 0.966 10 10 CCCE CSc1cc(N2C[C@@H]3C[C@H]2[C@@H](O)[C@H]3O)ccc1CN 2353848640 MRKZALGTSCCYSN-DTCNJJKHSA-N 280.393 0.798 10 10 CCCE C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CCN1 52783463 PJRCOSBJIQEWLQ-QMMMGPOBSA-N 292.295 0.724 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N(C)CCO)c(Cl)cc21 118587583 BKSPHVDIVBPHPY-LLVKDONJSA-N 269.732 0.981 10 10 CCCE CN1CCN(CC2=C[C@H](O)[C@H](N)C2)c2cnccc21 2131468699 HUXRJJOHQJLFCC-RISCZKNCSA-N 260.341 0.356 10 10 CCCE CN(C)c1ccc(/C=C/C(=O)NOCC(=O)O)cc1 69055036 QXPDSFZEWUQDOV-VMPITWQZSA-N 264.281 0.898 10 10 CCCE Nc1ccc(CS(=O)(=O)NC[C@@H]2CCCO2)cc1 21807147 JTDHMJSDMOEVGB-LBPRGKRZSA-N 270.354 0.867 10 10 CCCE C[C@@]1(O)CCN(CC(=O)c2ccc(O)c(O)c2)C1 235453408 CVZWHCRNVPCKLW-CYBMUJFWSA-N 251.282 0.737 10 10 CCCE N[C@@H]1CCc2cc(N3CC[C@@H]4C[C@H]3[C@H](O)[C@H]4O)ccc21 2357596102 BTKLXMNNEBZPCA-DMHMKPBJSA-N 274.364 0.953 10 10 CCCE COc1cc(N)c(N2C[C@H](O)C[C@@H]2CN(C)C)cc1OC 213775289 SYLMAZSOEPDTCX-GHMZBOCLSA-N 295.383 0.787 10 10 CCCE C[C@@H]1C[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1O 76000465 YPJTVSZJIMKWAT-GMSGAONNSA-N 284.337 0.902 10 10 CCCE COC(=O)CCS(=O)(=O)Nc1ccc(O)cc1 42220522 WJBWJKKFEWCIQY-UHFFFAOYSA-N 259.283 0.697 10 10 CCCE NC(=O)[C@@H]1CCCCN1C(=O)CCOc1ccc(N)cc1 42270712 MXOOMIOWJWYNOU-ZDUSSCGKSA-N 291.351 0.904 10 10 CCCE NCc1ccc(N2C[C@H](O)[C@H](O)C2)cc1Br 228157381 YKSTZZFNKCLAHO-PHIMTYICSA-N 287.157 0.450 10 10 CCCE N[C@H](Cc1c(F)cc(O)c(O)c1Br)C(=O)O 258574733 PEYZVHSWDFUNII-RXMQYKEDSA-N 294.076 0.954 10 10 CCCE Nc1ccc(OCC(=O)NCc2cnccn2)cc1 700524292 NLAMEGDAWMZBIK-UHFFFAOYSA-N 258.281 0.754 10 10 CCCE CC(=O)C(=O)COC(=O)CN(C)C(=O)c1cccs1 808501423 JBIVXEQRIGDKMD-UHFFFAOYSA-N 283.305 0.521 10 10 CCCE Nc1ccc(CCNC(=O)[C@H]2OCC[C@@H]2C(=O)O)cc1 2162275857 MOZBJTZKKDSXKR-RYUDHWBXSA-N 278.308 0.417 10 10 CCCE CC1(C)CC(=O)NCCN1C(=O)c1cc(O)nc(O)c1 708090725 WOKSONDSNDBSHE-UHFFFAOYSA-N 279.296 0.234 10 10 CCCE C[C@@H]1CC[C@@H](O)CN1c1cc2c(cc1N)OCC(=O)N2 399197412 MCYINRVJWAVINS-RKDXNWHRSA-N 277.324 0.949 10 10 CCCE COc1ccc(O)c([C@@H](C)NC(=O)CNC(N)=O)c1 728978962 AMCHQEKVTPCGPV-SSDOTTSWSA-N 267.285 0.246 10 10 CCCE CC[C@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)OC 1148924631 TZIRLEFMLNFSJJ-VIFPVBQESA-N 267.281 0.708 10 10 CCCE CO[C@@H]1C[C@H]1C(=O)N(CC(=O)O)Cc1ccccc1O 911490085 XAPHPFSREDSSBZ-ZYHUDNBSSA-N 279.292 0.840 10 10 CCCE CCOC[C@H](O)CNC(=O)c1cccc(O)c1O 386431306 OMIMIXQTPMFTFW-MRVPVSSYSA-N 255.270 0.225 10 10 CCCE O=[N+]([O-])c1ccc(O)c(CNC[C@@H](O)[C@H]2CCCO2)c1 858227363 TUPQYICQHPNQIK-CHWSQXEVSA-N 282.296 0.930 10 10 CCCE CCN1C[C@@H](S(=O)(=O)NCc2ccccc2O)CC1=O 866830199 PPHFFKMCNOJCLM-NSHDSACASA-N 298.364 0.432 10 10 CCCE CC(=O)C(=O)COC(=O)Cc1cnn2c1CCCC2 869589901 NKMJFNSEJSCHRY-UHFFFAOYSA-N 264.281 0.463 10 10 CCCE Nc1cc2c(cc1N1CCN[C@@H]3CC[C@H]31)OCCO2 1876383677 DOXUQZOTGMHJNM-GHMZBOCLSA-N 261.325 0.981 10 10 CCCE CCOC(=O)CCc1cc(OC)c(O)c([C@H](N)CO)c1 72199638 FURSLORFFSKHIQ-LLVKDONJSA-N 283.324 0.889 10 10 CCCE C[C@@H]1CC[C@@H](N)CN1S(=O)(=O)Cc1ccc(N)cc1 1876526698 FJIFATQTSWXCCY-ZWNOBZJWSA-N 283.397 0.910 10 10 CCCE COC(=O)N[C@H]1CCN(Cc2cc(N)ccc2O)C1 133662853 OHGSSJQPRZNNOD-NSHDSACASA-N 265.313 0.905 10 10 CCCE CN1CC[C@H](C(=O)NCc2cc(O)ccc2O)C1=O 1176748296 NTFBKAHHPBARMA-SNVBAGLBSA-N 264.281 0.192 10 10 CCCE COC(=O)CN(C)c1cc(OC)c(OC)cc1N 709551149 JZNZQMKASRQKGT-UHFFFAOYSA-N 254.286 0.895 10 10 CCCE C[C@H](C(=O)O)N1CCN(Cc2ccc(O)c(O)c2)CC1 86754140 FWQCJGUXVZSDOL-SNVBAGLBSA-N 280.324 0.689 10 10 CCCE O=C1CC[C@@H](NCc2ccc3c(c2)CCO3)C(=O)N1 89753427 OWRRCEHLOQBWFG-LLVKDONJSA-N 260.293 0.516 10 10 CCCE NC(=O)[C@H]1OCC[C@H]1NCc1ccc2c(c1)CCO2 2117461870 BQZQOUZRGBQWDY-YPMHNXCESA-N 262.309 0.354 10 10 CCCE Cc1cc(N2C[C@H]3C[C@H](O)[C@@H](O)[C@H]2C3)ccc1CO 2116737864 XUAAWPOWYPYRDB-RABLLNBGSA-N 263.337 0.808 10 10 CCCE O=C(N[C@@H](CO)c1cccnc1)c1cccc(O)c1O 1469164188 XQUTWFPMPJGZMM-NSHDSACASA-N 274.276 0.956 10 10 CCCE O=C(O)[C@@H]1CN(C(=O)c2ccc(O)c(O)c2)C[C@H]1F 2120645845 MZNQJVJCVXRASM-HTQZYQBOSA-N 269.228 0.593 10 10 CCCE Cc1nc(O)nc(O)c1NC(=O)c1cccc(O)c1O 1629377516 VJQPHEIALDVONQ-UHFFFAOYSA-N 277.236 0.860 10 10 CCCE O=C(NCc1ccc(O)cc1O)[C@H]1CCCc2nn[nH]c21 1639444742 YBBBIMJIQWUATN-JTQLQIEISA-N 288.307 0.952 10 10 CCCE C[C@H](CC(N)=O)C(=O)NCCc1ccc(O)c(O)c1 1566369329 AMOVAIVTMNOQEA-MRVPVSSYSA-N 266.297 0.268 10 10 CCCE Nc1nccnc1C(=O)N1Cc2cccc(O)c2C1 1643168585 GMHHFYRCWUYNET-UHFFFAOYSA-N 256.265 0.920 10 10 CCCE C[C@H](C(=O)NCc1cccc(O)c1O)S(C)(=O)=O 1651173225 UWLZHLJJCGSKKL-SSDOTTSWSA-N 273.310 0.147 10 10 CCCE CC1(C)OC[C@@H](NCc2ccc(O)c(O)c2O)[C@H]1O 1911028701 ZIHQQNCHMQMFNB-PRHODGIISA-N 269.297 0.431 10 10 CCCE CNCc1ccc(N2C[C@@H]3C[C@H](C2)[C@H](O)[C@H]3O)cc1 2126160451 ANWORTJHDPBALV-NEBZKDRISA-N 262.353 0.584 10 10 CCCE COc1c([C@H](NCCN=[N+]=[N-])C(=O)O)c(C)nn1C 158482876 HDWHXVONABVQBU-QMMMGPOBSA-N 268.277 0.763 10 10 CCCE O=C(NC[C@H]1OCC[C@H]1F)c1cc(O)c(O)c(O)c1 2132413545 NZVMBNYDUWBMEQ-GMSGAONNSA-N 271.244 0.660 10 10 CCCE O=C(N[C@@H]1C[C@@H]2NCC[C@@H]21)c1cc(O)c(O)c(O)c1 2132410526 NNPXBMUOQFFQBY-XHNCKOQMSA-N 264.281 0.284 10 10 CCCE CCCNC(=O)NC(=O)CN1CCC[C@H](N=[N+]=[N-])C1 1912184087 CAVQTYQVNLMUHA-VIFPVBQESA-N 268.321 0.997 10 10 CCCE CN[C@H](c1ccccc1O)[C@H](O)c1nc(C)nn1C 2138699916 WOIPUQCZPBRLIJ-NEPJUHHUSA-N 262.313 0.823 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)[C@H]1CCNC12CC2 1968738515 AIVKPAOAJKLMPC-LLVKDONJSA-N 276.336 0.899 10 10 CCCE Cn1nccc1CCNC(=O)COc1ccc(N)cc1 230767262 URXVWSUUHWMHMW-UHFFFAOYSA-N 274.324 0.740 10 10 CCCE CCn1c(O)nnc1NC(=O)c1cc(O)nc(O)c1 2141418438 IZLOQBSBBCXHEM-UHFFFAOYSA-N 265.229 0.062 10 10 CCCE CN1CCCc2cc(CNCCn3cnnn3)ccc21 2146589900 YQZVQUCORQEUHS-UHFFFAOYSA-N 272.356 0.845 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CC=C(C(=O)O)C1 2144017730 DCPWJOPCOLYMGL-JTQLQIEISA-N 277.276 0.930 10 10 CCCE NCc1ccc(N2CCC[C@@H](OCC(N)=O)C2)c(F)c1 2145383661 WBPRSPLLYWEJHL-LLVKDONJSA-N 281.331 0.755 10 10 CCCE Cc1cc(=O)n2nc(COc3ccc(N)cc3)nc2[nH]1 161506507 YOYGQIUNHHJNSX-UHFFFAOYSA-N 271.280 0.887 10 10 CCCE COc1ccc(N2CCOC[C@@H]2C(=O)N(C)C)c(N)c1 2155016268 DAXNVJPVASXQGW-CYBMUJFWSA-N 279.340 0.571 10 10 CCCE C[C@H]1CCN[C@@H]1CNC(=O)c1cc(O)nc(O)c1 2033148399 YGKUTFZQHMNETR-IONNQARKSA-N 251.286 0.221 10 10 CCCE C[C@H](NC[C@H]1CCS1(=O)=O)c1ccc(O)cc1O 2033299472 GJLQBKRXUJPVOC-WCBMZHEXSA-N 271.338 0.936 10 10 CCCE C[C@H](NC(=O)N(C)Cc1ccc(N)cc1)C(=O)O 2039303728 AEZBXTFPOISMNQ-QMMMGPOBSA-N 251.286 0.883 10 10 CCCE CO[C@@H]1C[C@@](NCCN=[N+]=[N-])(C(N)=O)C12CCC2 308416222 KWRLZFLUEXKBHN-LDYMZIIASA-N 253.306 0.699 10 10 CCCE CN(C(=O)CCc1ccc(N)cc1)[C@H]1COC[C@@H]1O 709162334 VXADPOJGMLVIEH-STQMWFEESA-N 264.325 0.420 10 10 CCCE CC(C)(NC(=O)CCc1ccc(N)cc1)[C@@H](O)C(=O)O 2176839284 CIMGZNFOSBFCHC-LBPRGKRZSA-N 280.324 0.542 10 10 CCCE NCc1ccc(N2CCC[C@@H](CO)[C@H]2CO)cc1F 709807319 NPEBBDCEKNCIBZ-SMDDNHRTSA-N 268.332 0.854 10 10 CCCE CCOC(=O)[C@]1(NCCN=[N+]=[N-])CC(=O)N2CCC[C@H]21 380047567 PPQDSKXMOPXBCH-CABZTGNLSA-N 281.316 0.583 10 10 CCCE CNC(=O)C1CN(c2ccc(CNCCOC)cc2)C1 382007601 YNEGBLSXSISWMB-UHFFFAOYSA-N 277.368 0.605 10 10 CCCE C[C@H]1CN(CCC(=O)Nc2ccc(N)cc2)C[C@H]1O 387597627 QBIMQKGISLBYBG-GXFFZTMASA-N 263.341 0.910 10 10 CCCE CC1(C)CN(C(=O)c2cc(O)nc(O)c2)CCN1 395998879 JDFGIUPPXHLIKD-UHFFFAOYSA-N 251.286 0.317 10 10 CCCE C[C@H]1COCC(=O)N1CCC(=O)Nc1ccc(N)cc1 2174127049 WAGKMTJXMPXNFN-JTQLQIEISA-N 277.324 0.845 10 10 CCCE CON1CCC(C(=O)NCc2c(O)cccc2O)CC1 1304053741 RFNMTCYCKSXQMX-UHFFFAOYSA-N 280.324 0.987 10 10 CCCE O=C(N[C@H]1CCN(C2COC2)C1)c1cccc(O)c1O 2169582092 BVOZVQQYQIOGEK-VIFPVBQESA-N 278.308 0.301 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CCO[C@H]3COC[C@@H]32)cc1 2192656859 MCNLWCIGRPXMHD-STQMWFEESA-N 298.364 0.198 10 10 CCCE C[C@H]1CNC[C@@H]1CCNC(=O)c1cc(O)c(O)c(O)c1 2188913447 RWNJVHWKMIZCQY-IUCAKERBSA-N 280.324 0.779 10 10 CCCE C[C@@H]1C[C@@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)[C@@H](C)CN1 2049781482 VKFMGAGVGHIJSS-KZZRWZIVSA-N 252.358 0.886 10 10 CCCE NCc1ccc(N2CC[C@H]3OCC(=O)N[C@H]3C2)c(Cl)c1 2185522703 RAUCDXNYTSWZGO-WCQYABFASA-N 295.770 0.892 10 10 CCCE C[C@]1(O)CCN(CCCOc2ccc(N)cc2)C[C@@H]1O 2197968672 VWJCMGLNBPVWSU-GJZGRUSLSA-N 280.368 0.855 10 10 CCCE C[C@@H]1CN(C(=O)c2ccc(O)c(O)c2)C(C)(C)C(=O)N1 2186218750 BNLHOQIUHNWKMD-MRVPVSSYSA-N 278.308 0.837 10 10 CCCE Nc1ccc(OCC(=O)N[C@H]2CC[C@H]3C[C@H]2CN3)cc1 2191754212 OQSBBBIPUCFDQD-JKOKRWQUSA-N 275.352 0.904 10 10 CCCE CCNCc1ccc(N2CC[C@H](O)[C@H](O)C2)cc1 2068372087 ZVZISQNIYKJBKH-UONOGXRCSA-N 250.342 0.728 10 10 CCCE C[C@@H](N)C(C)(C)NC(=O)c1cc(O)c(O)c(O)c1 2068624757 SHBBEFUOHVSWIX-ZCFIWIBFSA-N 254.286 0.659 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CCC2(CC[C@H]2O)CC1 2187411818 KAVOROOREPHRCF-SNVBAGLBSA-N 278.308 0.870 10 10 CCCE CO[C@H](C)[C@H](N)C(=O)N[C@@H](C)c1ccccc1O 2072484982 DUCKMRSEGJXVEF-SBMIAAHKSA-N 252.314 0.932 10 10 CCCE CO[C@H]1C[C@@](CO)(NCc2cc3c(cc2O)OCO3)C1 2198591943 YWNLFDJEBCKHPN-WJONMLJTSA-N 281.308 0.750 10 10 CCCE C[C@H](N)c1ccc(N2CCC2(CO)CO)cc1O 2073919681 GRMFNYJYFYQMIY-VIFPVBQESA-N 252.314 0.345 10 10 CCCE C[C@@H]1C[C@@H](CO)CN1S(=O)(=O)Cc1ccc(N)cc1 2100318901 SEVGAXXWFKCYDJ-ZYHUDNBSSA-N 284.381 0.801 10 10 CCCE N[C@H]1CN(C(=O)c2cccc(O)c2O)C[C@H]1C(F)F 2102479634 NJUIGDPQZCHLSC-SFYZADRCSA-N 272.251 0.762 10 10 CCCE Oc1cc(F)ccc1CNCCCc1nn[nH]n1 2084166976 WDZSXDCFAAKMKW-UHFFFAOYSA-N 251.265 0.767 10 10 CCCE NC(=O)CN(Cc1ccc(N)cc1)Cc1cocn1 2104346816 ZUFAZPXAQKLTCA-UHFFFAOYSA-N 260.297 0.744 10 10 CCCE C[C@@H]1OCCO[C@@H]1C(=O)NCc1cc(N)ccc1O 2087398007 FBBLKOFLHBUBCN-UFBFGSQYSA-N 266.297 0.395 10 10 CCCE N[C@H]1CC[C@H](CS(=O)(=O)NCc2ccccc2O)C1 2087460562 SOVQVMLMXFDVCU-JQWIXIFHSA-N 284.381 0.939 10 10 CCCE C[C@@H](CCNC(=O)Cc1ccc(O)c(O)c1)C(=O)O 2087725316 SRBJZZYOOIJILD-QMMMGPOBSA-N 267.281 0.867 10 10 CCCE O=[N+]([O-])c1cc(N2CC(OCCCO)C2)ccc1CO 2206960003 LZGBITITJMJIRU-UHFFFAOYSA-N 282.296 0.675 10 10 CCCE CO[C@@H]1[C@H](OC)CN(c2ccc([C@H](C)O)cc2)[C@@H]1CO 2233351191 FHVRIJXZZTWPMI-QOWREQOWSA-N 281.352 0.951 10 10 CCCE Nc1ccc(OCCN2C[C@H]3COC[C@]3(CO)C2)cc1 2234548452 OKVHWLJRHUTXDR-SWLSCSKDSA-N 278.352 0.588 10 10 CCCE Cc1nn[nH]c1CCNS(=O)(=O)Cc1ccc(N)cc1 2234751134 WGTZRYQOLDOUCO-UHFFFAOYSA-N 295.368 0.357 10 10 CCCE COc1ccc(N2C[C@@H]3CN[C@H](CO)[C@H]3C2)c(F)c1F 2235564660 IIKPIFGTTCJZAY-LPEHRKFASA-N 284.306 0.990 10 10 CCCE Cc1cc(CO)ccc1N1C[C@@H]2COC[C@@]2(CO)C1 2226167884 MNBGNARJDJKFOK-HIFRSBDPSA-N 263.337 0.932 10 10 CCCE C[C@@H](CNC(=O)c1cccc(O)c1O)[C@@]1(O)CCNC1 2238448173 VMIAZSUVDLMSLF-LKFCYVNXSA-N 280.324 0.188 10 10 CCCE Cc1ccc(O)c([C@H](C)NCC2(O)CS(=O)(=O)C2)c1 2267899813 FNBPZTDWUVEMHD-JTQLQIEISA-N 285.365 0.511 10 10 CCCE O=C(N[C@@H]1C[C@@]12C[C@H]2C(=O)O)c1cccc(O)c1O 2268058994 FEWVDWHGLPFPTA-WIMUKIRHSA-N 263.249 0.691 10 10 CCCE CN(CC1COC1)c1cc2c(cc1N)OCC(=O)N2 2269764831 RYSYDOYRULALQP-UHFFFAOYSA-N 263.297 0.682 10 10 CCCE Cc1cccc(CNC(=O)C23CC(N)(C2)[C@@H](C)O3)c1O 2280648074 REXVLMCMMWOMEM-SFNBMPIDSA-N 276.336 0.966 10 10 CCCE CN(C(=O)c1ccc(O)c(O)c1)[C@H]1COC2(COC2)C1 2286288319 HLTGYUMDWTYXCY-SNVBAGLBSA-N 279.292 0.728 10 10 CCCE CO[C@H]1C[C@@H]2C[C@](NCCCN=[N+]=[N-])(C(N)=O)C[C@@H]21 2331953998 QHLAULKCIDXPKW-FYLLDIAZSA-N 267.333 0.945 10 10 CCCE N[C@@H]1C[C@]2(NC(=O)c3ccc(O)c(O)c3)CO[C@H]1C2 2334236830 YMRKNZLXLCWUQK-YDEJPDAXSA-N 264.281 0.086 10 10 CCCE CCN(CCN=[N+]=[N-])C(=O)Cn1ccc(O)nc1=O 2337774892 SHJHKLRQENLHDE-UHFFFAOYSA-N 266.261 0.108 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)[C@@H]1COC[C@H]1C(=O)O 2338347644 JVOSFTVMGFMKFB-DJLDLDEBSA-N 268.273 0.635 10 10 CCCE C[C@H](C(=O)O)S(=O)(=O)NCCc1ccc(N)cc1 63129973 CTAMIQAUSPTDBW-MRVPVSSYSA-N 272.326 0.204 10 10 CCCE CO[C@H](CNC(=O)Cc1ccc(N)cc1)C(=O)O 227291419 REFVAWQHDOFPCX-SNVBAGLBSA-N 252.270 0.027 10 10 CCCE CS(=O)(=O)CCS(=O)(=O)Nc1ccc(O)cc1F 85203953 XQTFFAQDGGOWCZ-UHFFFAOYSA-N 297.329 0.318 10 10 CCCE COc1ccc(N(C)CC(=O)NC(N)=O)cc1OC 49333584 KSNKULYDECCCHV-UHFFFAOYSA-N 267.285 0.335 10 10 CCCE COC(=O)N[C@H]1CCN(CC(=O)Nc2ccc(N)cc2)C1 133639692 UTEUHNCPNZDDRK-LBPRGKRZSA-N 292.339 0.638 10 10 CCCE CC(C)(CNC(=O)COc1ccc(N)cc1)OCCO 380111651 IWDKQXIAJXQOTF-UHFFFAOYSA-N 282.340 0.551 10 10 CCCE CC(=O)C(=O)COC(=O)Cc1ccc(C(N)=O)cc1 808540791 HDIBWRCXLGPEHQ-UHFFFAOYSA-N 263.249 0.029 10 10 CCCE NCc1ccc(N2CC(NS(=O)(=O)C3CC3)C2)c(F)c1 2165628050 XUYGZPIQJRTXBE-UHFFFAOYSA-N 299.371 0.555 10 10 CCCE C[C@H](NC[C@]1(CO)COCCN1C)c1c(O)cccc1F 903280736 WHJIOUHZCGNDNT-NHYWBVRUSA-N 298.358 0.875 10 10 CCCE CCOc1ccc(O)c([C@@H]2NC(=O)[C@H](COC)N2C)c1 840829059 MUNRCRLGOQYLGB-WCQYABFASA-N 280.324 0.866 10 10 CCCE NCC[C@@H]1CCN(S(=O)(=O)Cc2ccc(N)cc2)C1 1876524900 DAJWUNZPDXLLDB-LLVKDONJSA-N 283.397 0.769 10 10 CCCE C[C@@H]1CNCCN1C(=O)CCOc1ccc(N)cc1 1876457331 UVLFTNKYMGCDKZ-LLVKDONJSA-N 263.341 0.858 10 10 CCCE Nc1ccc(OCCN2CCO[C@@H]3COC[C@H]32)cc1 1877660065 RJORHWWNYHAFLB-ZIAGYGMSSA-N 264.325 0.747 10 10 CCCE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NCCN=[N+]=[N-] 1880837862 WWDZAXYGJHGWRX-ZETCQYMHSA-N 273.293 0.299 10 10 CCCE CC(=O)C(=O)[C@]1(O)CN(C(=O)OC(C)(C)C)C1(C)C 1881113552 SMORJWZSCQCZIE-CYBMUJFWSA-N 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CCCE O=C([C@@H]1CNc2ccccc2N1)N1CCC(O)CC1 229875096 HYBUZKREUQMNFI-ZDUSSCGKSA-N 261.325 0.876 10 10 CCCE CC[C@H]1CN(C(=O)c2cc(O)nc(O)c2)CC[C@@H]1N 122533853 NBOBEJBWTIJCDK-WPRPVWTQSA-N 265.313 0.692 10 10 CCCE COc1cc(N(C)[C@@H]2CCCNC2=O)ccc1CO 2139698885 OFWUMFSIMXORSJ-GFCCVEGCSA-N 264.325 0.902 10 10 CCCE Nc1ccc(OCCN2[C@H](CO)C[C@@H]3OCC[C@H]32)cc1 2146695197 SXBIBSHBPWWLOQ-CFVMTHIKSA-N 278.352 0.872 10 10 CCCE COC(=O)c1cc([C@@H](N)Cc2ccc(O)c(O)c2)[nH]n1 1951943143 JSGSWEZWTXFMHG-QMMMGPOBSA-N 277.280 0.850 10 10 CCCE COC(=O)C[C@@H]1CN(C)[C@@H](c2ccccc2O)[C@@H]1N 259880420 RXOZZVQXOOEGIO-FZQKWOKYSA-N 264.325 0.885 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC[C@@H]3[C@@H](CO)[C@@H]3C2)cc1 2149545258 MJFKUXAWTZWYNF-BFHYXJOUSA-N 296.392 0.659 10 10 CCCE CN1CCCN(C(=O)c2ccc(O)c(O)c2)CCC1=O 2152575224 MKAYTHFNYNWSLY-UHFFFAOYSA-N 278.308 0.792 10 10 CCCE Nc1ccc(OCCC(=O)N2CC[C@@H]2CO)cc1 2031690749 GXKNKFTVWPGMHA-LLVKDONJSA-N 250.298 0.631 10 10 CCCE COC[C@@]1(O)CCN(c2ccc(CO)cc2F)C1 2034289782 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Nc1ccc(OCCC(=O)N[C@@]23COC[C@@H]2C3)cc1 718054284 FQCWPSCQTBSADX-HZMBPMFUSA-N 262.309 0.943 10 10 CCCE O=C(c1cccc(O)c1O)N1C[C@H]2CCNC[C@H]2C1 389179365 RJXCLGKOJJSJPN-ZJUUUORDSA-N 262.309 0.779 10 10 CCCE NC(=O)N1CCC(NC(=O)c2cccc(O)c2O)CC1 393269995 RGURCQTWVMHPFV-UHFFFAOYSA-N 279.296 0.371 10 10 CCCE NC(=O)N1CCC(NC(=O)c2ccc(O)c(O)c2)CC1 393254322 HBTBVYBUGHMQPM-UHFFFAOYSA-N 279.296 0.371 10 10 CCCE N#Cc1cc(CN)ccc1N1CC[C@@H](O)[C@@H](CO)C1 396826454 BSZNJODCUSOREW-TZMCWYRMSA-N 261.325 0.196 10 10 CCCE CN(CC[S@](C)=O)c1ccc2c(c1)N(C)C(=O)[C@H]2N 399025277 ODVKIGZZHXQECB-BUXKBTBVSA-N 281.381 0.478 10 10 CCCE Nc1ccc(NC(=O)CCN2CCOC[C@@H](O)C2)cc1 399867121 OUDPEYABNRNQTC-ZDUSSCGKSA-N 279.340 0.291 10 10 CCCE C[C@@]1(NCc2ccc3c(c2)CCO3)CCC(=O)NC1=O 2172845745 HQYMFPYRIWPESI-OAHLLOKOSA-N 274.320 0.906 10 10 CCCE COC[C@@H](NC(=O)c1cnn2c(O)cc(C)nc12)C1CC1 2064158697 CDWFPQBEFNFCSI-LLVKDONJSA-N 290.323 0.898 10 10 CCCE CN(C)c1ccc(CNC(=O)C[C@H]2COC[C@@H]2N)cc1 2187942895 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NC(=O)CN(Cc1ccc(N)cc1)C(=O)[C@H]1CCCOC1 62192755 LXPWYSDFGDMTQZ-LBPRGKRZSA-N 291.351 0.509 10 10 CCCE C[C@@H](c1ccccc1O)N(C)C(=O)CS(C)(=O)=O 70130184 WMNOMWYEPNLZBA-VIFPVBQESA-N 271.338 0.956 10 10 CCCE N[C@H]1CC(C(=O)N(CCO)c2ccccc2)=C[C@H]1O 2131466307 PXTQZVKARCASJE-QWHCGFSZSA-N 262.309 0.030 10 10 CCCE Cc1ccc(O)c([C@H](C)NCCNS(C)(=O)=O)c1 35628960 QFVGKTVZTDXKRP-JTQLQIEISA-N 272.370 0.900 10 10 CCCE CNC(=O)NC(=O)[C@H](C)N(C)Cc1ccc(N)cc1 35360555 SOQRJWQRFOKEDR-VIFPVBQESA-N 264.329 0.545 10 10 CCCE NC(=O)[C@H]1CCCN(C[C@H](O)COc2ccc(N)cc2)C1 36985200 IHEUDYTVDIKJDK-AAEUAGOBSA-N 293.367 0.206 10 10 CCCE CN(C)c1ccc(/C=C/C(=O)N[C@H](CCO)C(=O)O)cc1 40697378 SSOAKWZARCDCTK-OQHXTRMZSA-N 292.335 0.718 10 10 CCCE CNC(=O)[C@H]1CCCN1S(=O)(=O)Cc1ccc(N)cc1 42272842 VDIGPPWAQANXHS-GFCCVEGCSA-N 297.380 0.309 10 10 CCCE Cc1nc(=NS(=O)(=O)Cc2ccc(N)cc2)n(C)[nH]1 2140791702 JVNDHMZFLYEUKG-UHFFFAOYSA-N 281.341 0.070 10 10 CCCE NC(=O)[C@@H](c1cc(F)ccc1O)N1CCCNCC1 236177589 CXLRJJRYLGYLHL-GFCCVEGCSA-N 267.304 0.353 10 10 CCCE COC(=O)c1cccc(N)c1N[C@H](C(N)=O)C(C)C 231060370 WIFPPUCPOJHEEC-JTQLQIEISA-N 265.313 0.977 10 10 CCCE Cc1ccc(C(=O)N2CCNC(=O)CC2)c(O)c1O 272757705 KXVAEEIFANYITR-UHFFFAOYSA-N 264.281 0.368 10 10 CCCE CCOC(=O)c1cccc(N)c1N[C@H]1CN(C)C[C@@H]1O 2165036543 KVVGZXIWQLRNRG-RYUDHWBXSA-N 279.340 0.532 10 10 CCCE COC[C@@H](CCO)NC(=O)c1cc(OC)nc(OC)c1 2166954738 IQOTUEUYCHAFOC-SNVBAGLBSA-N 284.312 0.226 10 10 CCCE C[C@](O)(CO)[C@H](N)c1ccc(Br)cc1O 713766150 ZSXNVHHORJGWPF-ZJUUUORDSA-N 276.130 0.898 10 10 CCCE COc1ccc(O)c(CNC(=O)[C@H]2CCCN(C)C2=O)c1 825838683 FHVVKTOSUAHKEH-GFCCVEGCSA-N 292.335 0.885 10 10 CCCE CCOC(=O)c1cc(C(=O)OCC(=O)C(C)=O)[nH]c1C 837874421 GCSXOCDBYAKIDK-UHFFFAOYSA-N 281.264 0.815 10 10 CCCE C[C@@H](NC[C@H](O)CS(C)(=O)=O)c1ccc(F)cc1O 927026068 POHTUDMUXYLJAV-SCZZXKLOSA-N 291.344 0.587 10 10 CCCE CNCc1ccc(N2C[C@@H](O)C[C@@]2(C)CO)c(F)c1 698217655 UURJSCOPRSKFNE-FZMZJTMJSA-N 268.332 0.867 10 10 CCCE C[C@@H]1CCN[C@H]1CNC(=O)COc1ccc(N)cc1 1876452100 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83588004 RFUUGRUYEUZEIQ-IONNQARKSA-N 279.252 0.250 10 10 CCCE CC(C)(O)CCNC(=O)COc1ccc(N)cc1 386331347 MKTCMDYEXFJJRG-UHFFFAOYSA-N 252.314 0.925 10 10 CCCE CN1C[C@@H](CCNC(=O)Cc2ccc(N)cc2)CC1=O 723603790 ZSNBOEJHIIAVHY-LBPRGKRZSA-N 275.352 0.796 10 10 CCCE CN1CC[C@H](N(C)c2ccc(CN)c(F)c2)C1=O 690221889 TXOWPVUFAZGEJX-LBPRGKRZSA-N 251.305 0.951 10 10 CCCE CO[C@@H]1CS(=O)(=O)C[C@@H]1Nc1c(N)cccc1F 711271574 CMABQJKJGPPSIY-VHSXEESVSA-N 274.317 0.632 10 10 CCCE Cc1cc(N2C[C@H](O)C[C@]2(C)CO)ccc1CN 698199860 QHXHKTCFUMDRRQ-ZIAGYGMSSA-N 250.342 0.776 10 10 CCCE COc1ccc(N2[C@@H](C)CCNC(=O)[C@H]2CO)cc1 217097485 BBHPJDQBNOVBLH-GXFFZTMASA-N 264.325 0.771 10 10 CCCE O=C1OC[C@@H]2CN(C(=O)/C=C/c3ccc(O)c(O)c3)C[C@H]12 1454497732 UPZSWSNPYGLVST-LOMYTOQZSA-N 289.287 0.742 10 10 CCCE CCNC(=O)[C@H](C)NC(=O)Cc1ccc(O)c(O)c1 1463994147 HOZOCTBKNNPJHR-QMMMGPOBSA-N 266.297 0.281 10 10 CCCE COc1ccc(CN[C@H]2[C@H]3CS(=O)(=O)C[C@H]32)c(O)c1 2118021261 SCPCXICFQMQPRG-PTEHBNRSSA-N 283.349 0.533 10 10 CCCE O=C(O)[C@H]1CN(C(=O)c2ccc(O)c(O)c2)C[C@H]1F 2120645846 MZNQJVJCVXRASM-JGVFFNPUSA-N 269.228 0.593 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1C[C@@H](CO)[C@@H](F)C1 2120606415 OZOIIXFRMAKTSS-UWVGGRQHSA-N 269.272 0.429 10 10 CCCE Cc1ccc(O)c(CNC(=O)CCCc2nn[nH]n2)c1 1557553301 UNUOQMLOYOSJAZ-UHFFFAOYSA-N 275.312 0.853 10 10 CCCE COc1ccc(O)c(CN2CC[C@H](CO)[C@@H](N)C2)c1 2122334886 PCOOKMHLOZLPIM-MFKMUULPSA-N 266.341 0.542 10 10 CCCE COc1cccc(CNCCc2cnnn2C)c1O 2123264097 GLWJGNYRVKLHNM-UHFFFAOYSA-N 262.313 0.862 10 10 CCCE Cn1cc(NC(=O)c2cc(O)cs2)c(C(N)=O)n1 1648829741 GSVYHFDIIJLIHO-UHFFFAOYSA-N 266.282 0.538 10 10 CCCE N[C@@H](C(=O)O)[C@H]1CCN(c2ccc3c(c2)OCO3)C1 250028664 POYILKVRJAGAIY-QPUJVOFHSA-N 264.281 0.654 10 10 CCCE CN(CC1(O)CCC1)C(=O)c1cc(O)c(O)c(O)c1 2132349093 YGZCOCZTCTVWLA-UHFFFAOYSA-N 267.281 0.790 10 10 CCCE CN(C[C@H](O)CN)c1ccc2c(c1)CCC(=O)N2C 258882116 GNXWSGIJGVIINT-GFCCVEGCSA-N 263.341 0.351 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC2(CC(CO)C2)C1 2129963527 MFXUMSVKMLEZLK-UHFFFAOYSA-N 264.281 0.337 10 10 CCCE OCCN1CCN(c2ccc3c(c2)CC[C@H]3O)CC1 2128325008 NAWASZKQBGRAJP-OAHLLOKOSA-N 262.353 0.781 10 10 CCCE C[C@H]1CNC[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)C1 2132412360 COBILBGZNJYFQT-APPZFPTMSA-N 266.297 0.531 10 10 CCCE O=C(NCC[C@H]1CCNC1)c1cc(O)c(O)c(O)c1 2132400195 LCUARYOZKLFOHX-MRVPVSSYSA-N 266.297 0.533 10 10 CCCE CO[C@@H]1C[C@H]1CN(C)C(=O)c1cc(O)c(O)c(O)c1 2132418877 OHGSYUDJODYSRE-GZMMTYOYSA-N 267.281 0.910 10 10 CCCE NC(=S)CN(C(=O)c1cc(O)c(O)c(O)c1)C1CC1 2132401644 VBMCPHMLURLLEX-UHFFFAOYSA-N 282.321 0.694 10 10 CCCE Cc1cc(N2CC(=O)NC(=O)C2)ccc1C=CC(=O)O 1912035320 UCFWSBXFVHUXBC-UHFFFAOYSA-N 274.276 0.556 10 10 CCCE CO[C@@H]1C[C@@H]2C[C@@](NCCCN=[N+]=[N-])(C(N)=O)[C@H]2C1 2133967172 DFYFTYJJQPEVSH-SVDPJWKOSA-N 267.333 0.945 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CCC(OCCO)CC1 227042660 BFHFCIRFSLTZDV-UHFFFAOYSA-N 281.308 0.711 10 10 CCCE CNC(=O)[C@H](C)CN(C)C(=O)COc1ccc(N)cc1 234364480 XTIKCMHWXUSPAG-SNVBAGLBSA-N 279.340 0.488 10 10 CCCE Nc1ccc(OCC(=O)OC[C@@H]2CCCC(=O)N2)cc1 2145917119 DOBSAZZBOUTVAT-NSHDSACASA-N 278.308 0.860 10 10 CCCE C[C@H](NC[C@H]1CN(C)CCN1C)c1c(O)cccc1O 235534327 BFAAAXUTZZJGHZ-RYUDHWBXSA-N 279.384 0.994 10 10 CCCE CN(CC(CO)CO)c1cc2c(cc1N)NC(=O)CC2 2150419692 SCDIHIODMYFJNE-UHFFFAOYSA-N 279.340 0.191 10 10 CCCE CCOC(=O)[C@@H]1CNC[C@H]1c1cc(O)c(O)c(OC)c1 1951857966 VUTSAQNWTOPEHX-VHSXEESVSA-N 281.308 0.973 10 10 CCCE CCOC(=O)C1(c2cc(O)c(O)c(O)c2)CCNCC1 1952081718 RRIMRQHXNBBDOX-UHFFFAOYSA-N 281.308 0.988 10 10 CCCE O=S1(=O)C[C@H](c2cc(F)cc(F)c2O)NCCN1 1952719773 UESPIMSOCZTZDY-SECBINFHSA-N 278.280 0.234 10 10 CCCE CO[C@H](C)[C@H](NC(=O)CCc1ccc(N)cc1)C(=O)O 2143993165 SKEMRTNTABIXGO-RNCFNFMXSA-N 280.324 0.806 10 10 CCCE CC[C@@](N)(COC)C(=O)NCCc1ccc(O)c(O)c1 2148002451 BFYIPYDYZCOHSH-CQSZACIVSA-N 282.340 0.510 10 10 CCCE OCc1ccc(N2C[C@]3(CO)CC[C@@]3(CO)C2)c(F)c1 2145747091 WYMVPWAMQJUDLR-GJZGRUSLSA-N 281.327 0.889 10 10 CCCE Nc1ccc(CC(=O)N2CC[C@@H]3OCCO[C@H]3C2)cc1 2151741736 YJFJAWWKCOYZEP-KBPBESRZSA-N 276.336 0.828 10 10 CCCE CC[C@@H](CO)CNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 2154319467 BISRPNHLORYRHR-KOLCDFICSA-N 282.340 0.102 10 10 CCCE NC(=O)[C@H]1CC[C@H](NCc2ccc(O)cc2O)C1 2029524295 CHRVCDQFJCASAO-WPRPVWTQSA-N 250.298 0.841 10 10 CCCE COc1ccc(CN[C@H]2CN(C)C[C@@H]2O)c(O)c1 2029866892 MBIOBYLHMMQBMM-AAEUAGOBSA-N 252.314 0.165 10 10 CCCE Oc1ccc(CN[C@@H]2[C@@H]3CCOC[C@H]32)c(O)c1O 2032744493 KYEOIKJRZOXUKT-FXPVBKGRSA-N 251.282 0.928 10 10 CCCE C[C@@H](N[C@@H]1CC(=O)NC1=O)c1ccc(F)cc1O 2034957362 GXIKIVQNIDAQQR-HZGVNTEJSA-N 252.245 0.597 10 10 CCCE CC1(CNC(=O)c2cc(O)nc(O)c2)CC(N)C1 2041604620 CARLMXLELOUHRM-UHFFFAOYSA-N 251.286 0.350 10 10 CCCE O=C(N[C@@H]1CCC[C@@H](C(=O)O)C1)c1cc(O)nc(O)c1 70554210 RQPCPCFHBOXZAM-VXNVDRBHSA-N 280.280 0.866 10 10 CCCE COCC[C@H](CN)NC(=O)c1ccc(O)c(O)c1 310580648 QXFUQOSYTOCKLN-SECBINFHSA-N 254.286 0.191 10 10 CCCE CO[C@H]1COCC[C@@H]1NCc1ccc(O)cc1O 310847656 LRNYIFWHJSIWLR-AAEUAGOBSA-N 253.298 0.991 10 10 CCCE C[C@@H](C(=O)Nc1ccc(N)cc1)N1CC[C@@](O)(CO)C1 313666184 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2176471593 KAPHLRHKVSEZHA-NWDGAFQWSA-N 276.292 0.651 10 10 CCCE CN(Cc1cnn(C)n1)C(=O)CCc1ccc(N)cc1 2172442085 CQCIGLXUMADDEC-UHFFFAOYSA-N 273.340 0.989 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N(C1CC1)[C@@H]1COC[C@H]1O 2062318676 WQQDCZNAXXYFID-BXUZGUMPSA-N 293.319 0.391 10 10 CCCE Nc1ccc(OCCN2C[C@H]3C[C@H](O)[C@@H](O)[C@H]2C3)cc1 2173318242 TZYGRZGHWDBBGX-RABLLNBGSA-N 278.352 0.464 10 10 CCCE CNC(=O)c1cnn(Cc2cccc(OC)c2O)c1O 2070462105 OJUHINZNTUIUEY-UHFFFAOYSA-N 277.280 0.711 10 10 CCCE Nc1ccc(NC(=O)N2C[C@@H]3OC[C@H](CO)[C@@H]3C2)cc1 2178093849 RDEMJWVPUIMWQV-XDTLVQLUSA-N 277.324 0.740 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CCC2(C1)OCCO2 1148583785 BEDRETQWDJIHRX-UHFFFAOYSA-N 281.264 0.392 10 10 CCCE NC(=O)CCN1CCC(NCc2ccc(N)cc2)CC1 2187333752 DDGSDAPRNHTOHA-UHFFFAOYSA-N 276.384 0.698 10 10 CCCE CN(Cc1ccccc1O)C(=O)N(CCO)CC(=O)O 2192605064 NYSBQTHJGFYMQH-UHFFFAOYSA-N 282.296 0.323 10 10 CCCE C[C@@]1(CO)COCCN1c1ccc(CO)c([N+](=O)[O-])c1 2188572219 OJNFQLOTVZTHKN-CYBMUJFWSA-N 282.296 0.675 10 10 CCCE 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266.341 0.821 10 10 CCCE NC(=O)[C@H]1CCN1C(=O)CCOc1ccc(N)cc1 2089361731 ICQFGAHLKFRWPI-LLVKDONJSA-N 263.297 0.124 10 10 CCCE N[C@@H](c1ccccc1O)[C@@]1(O)CCCS(=O)(=O)CC1 2091868237 QNYZWYOOHOMINX-QWHCGFSZSA-N 285.365 0.722 10 10 CCCE CCN(c1ccc(CN)cc1F)[C@H]1CC(=O)NC1=O 2114732250 LDURRJOUDRNAPA-NSHDSACASA-N 265.288 0.526 10 10 CCCE Nc1ccc(CC(=O)N2C[C@@H](O)C[C@H](F)C2)cc1 2219179247 HUWYUUWSBXTNRW-JQWIXIFHSA-N 252.289 0.743 10 10 CCCE OC[C@@]1(O)CCN(c2ccc3c(c2)OC(F)(F)O3)C1 2226705908 JYPIYWPIVBIOEQ-LLVKDONJSA-N 273.235 0.942 10 10 CCCE O[C@H]1C[C@H](O)CN(c2ccc3c(c2)OCCCO3)C1 2226809802 DRDNTLAPPWPGMP-RYUDHWBXSA-N 265.309 0.780 10 10 CCCE CCNCc1cc(OC)ccc1N(C)C(CO)CO 2227680815 BOUAFJSGYSDYIB-UHFFFAOYSA-N 268.357 0.594 10 10 CCCE CSc1ncc(CNC(=O)[C@@H]2C[C@H](N)CCO2)s1 2257088090 UDSKPJPUVCAVEJ-APPZFPTMSA-N 287.410 0.988 10 10 CCCE CC(CO)(CO)c1nc(-c2ccc(O)c(O)c2)no1 2264639046 UIZRKYHRJDAZNA-UHFFFAOYSA-N 266.253 0.390 10 10 CCCE COc1cccc(CN(CCN)CCN(C)C)c1O 2265838550 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CC(C)([C@H](NCCN=[N+]=[N-])C(N)=O)[C@H]1CCCO1 1912187178 IGRXYODBYKTXSY-RKDXNWHRSA-N 255.322 0.945 10 10 CCCE CCOCCOCCS(=O)(=O)CCN=[N+]=[N-] 1901657682 KJFLAOMRGNSDQA-UHFFFAOYSA-N 251.308 0.765 10 10 CCCE CN1CCN(Cc2cc(N)ccc2O)[C@H](CCO)C1 2138084858 SUFGETSFHLPCAY-CYBMUJFWSA-N 265.357 0.473 10 10 CCCE NC(=O)[C@@H]1[C@H]2CN(C(=O)Cc3ccc(N)cc3)C[C@H]21 2136587474 XJPOEZCMLQQKFR-PJXYFTJBSA-N 259.309 0.001 10 10 CCCE NCC12CC(C(=O)NCc3ccccc3O)(CO1)C2 1966878031 KVBUYMFHWDOMNS-UHFFFAOYSA-N 262.309 0.516 10 10 CCCE CS[C@@H](C)[C@H](NC(=O)c1cc(O)nc(O)c1)C(=O)O 2142095053 DDYXODJGFXTXKD-CDUCUWFYSA-N 286.309 0.427 10 10 CCCE CCOC(=O)[C@@]1(c2ccc(O)c(O)c2)CCNC1 1951730850 DTFXTFWEKZBOMX-ZDUSSCGKSA-N 251.282 0.892 10 10 CCCE CN1C[C@@H](c2cccc([N+](=O)[O-])c2O)NCC1=O 1951863699 RJWNXCXTTZFQNN-QMMMGPOBSA-N 251.242 0.403 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1[C@H](CO)C[C@H]2OCC[C@@H]21 2146642217 PUDBWUGMOGFXMN-OUJBWJOFSA-N 279.292 0.462 10 10 CCCE C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)[C@@H]1CCNC1 1971643221 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280.368 0.947 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CCOC[C@@H](F)C3)ccc21 2336664429 AFRZZOLVTYNXHU-UFBFGSQYSA-N 265.288 0.813 10 10 CCCE CO[C@@H](C(=O)O)C1([C@H](N)Cc2ccc(O)c(O)c2)CC1 1952889907 KMYNPAQQCXTBDV-NEPJUHHUSA-N 281.308 0.847 10 10 CCCE C[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC(O)C1 170045272 YIRHUNITQPQUBZ-QMMMGPOBSA-N 251.282 0.480 10 10 CCCE C[C@H](O)c1cc(F)c(N2C[C@@H]3C[C@H]2[C@H](O)[C@H]3O)c(F)c1 2357381690 YMTNTYSQOMLHOG-VGOGFULBSA-N 285.290 0.948 10 10 CCCE NCCCCC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 70203054 IWHFECCPEJGGPT-JTQLQIEISA-N 296.323 0.339 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3CCC(C(N)=O)CC3)cc21 131338324 NWZISBYOASBNHV-CYBMUJFWSA-N 288.351 0.365 10 10 CCCE OC[C@H]1CCn2c(nnc2-c2cccc(O)c2O)C1 2131529027 ZIEGNGCTMBDHKP-QMMMGPOBSA-N 261.281 0.911 10 10 CCCE CNCc1cc(F)c(N(C)[C@H]2COC[C@@H]2O)c(F)c1 708089905 MSXNAADWFCHCLH-RYUDHWBXSA-N 272.295 0.880 10 10 CCCE CN(C)c1ccc(/C=C/C(=O)Nc2nn[nH]n2)cc1 709881813 MMMMYMARVBIKKN-VMPITWQZSA-N 258.285 0.918 10 10 CCCE 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CN(C)c1ccc(CNCC(=O)N2CCNCC2)cc1 1857865643 XDOOZQBDNKXSPP-UHFFFAOYSA-N 276.384 0.274 10 10 CCCE CNC(=O)CC1CN(c2ccc(CN)c(OC)c2)C1 2139701606 WEMDKDMVNPMRJJ-UHFFFAOYSA-N 263.341 0.726 10 10 CCCE NC(=O)[C@H]1C[C@H](N)CN(Cc2ccc(F)cc2O)C1 2139767444 MQEALSVPOOOFTJ-ONGXEEELSA-N 267.304 0.166 10 10 CCCE C[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1C(=O)O 226872423 GNYRUXLYZFYKNS-QUBYGPBYSA-N 266.253 0.428 10 10 CCCE C[C@H](O)c1ccc(N2CC[C@@H](O)C[C@H]2CO)cc1O 2136082711 SASYTMXBQLMNSB-ZMLRMANQSA-N 267.325 0.768 10 10 CCCE C[C@H](NCCOCC(N)=O)c1ccc(N(C)C)cc1 230055740 LFXNRXVOWNQIBO-NSHDSACASA-N 265.357 0.905 10 10 CCCE C[C@@H](N)c1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)cc1Cl 2136340488 XGLGDCVECOILQQ-KOCKLMIUSA-N 286.759 0.262 10 10 CCCE Nc1ccc(CNC[C@@H]2CCCS2(=O)=O)cc1 1944075693 OYHLUJQJQIPRPH-LBPRGKRZSA-N 254.355 0.936 10 10 CCCE CS(=O)(=O)[C@H]1COC[C@H]1NCc1cc(F)ccc1O 2142490955 QNHAGMHIYOXOBS-PWSUYJOCSA-N 289.328 0.433 10 10 CCCE Cc1ccc(CN[C@@H]2COC[C@H]2S(C)(=O)=O)c(O)c1 2142472992 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2158784762 JYBHQKLXGOIUOP-ZJUUUORDSA-N 293.754 0.898 10 10 CCCE CC(=O)NCCN(C)CC(=O)c1ccc(O)c(O)c1 308296275 JZZWKEHSEBZXLU-UHFFFAOYSA-N 266.297 0.348 10 10 CCCE COc1ccc(N(CCO)C[C@H](C)O)c([N+](=O)[O-])c1 311717863 OPMAQVUDXHSYOW-VIFPVBQESA-N 270.285 0.783 10 10 CCCE CN(CCOCCO)CC(=O)Nc1ccc(N)cc1 311762279 VFZFKSMDDGSTCK-UHFFFAOYSA-N 267.329 0.148 10 10 CCCE CNC(=O)CN1CCN(c2ccc(CN)cc2F)CC1 700784967 WVOPHZVNNVVEFG-UHFFFAOYSA-N 280.347 0.152 10 10 CCCE Oc1n[nH]c(CNCc2ccc(F)c(F)c2O)n1 703256749 CKPYVTQOFVMUOE-UHFFFAOYSA-N 256.212 0.784 10 10 CCCE COc1ccc([C@@H](C)N(C)[C@H]2CC(=O)NC2=O)c(O)c1 2171202455 LHGPITPQQDYRNA-KCJUWKMLSA-N 278.308 0.809 10 10 CCCE NC[C@@H]1C[C@H](c2nc(-c3ccc(O)c(O)c3)no2)CO1 714085466 CGFRMZDQRIRQII-IUCAKERBSA-N 277.280 0.979 10 10 CCCE CC(C)[C@H](CNC(=O)c1ccc(O)c(O)c1)ON 398909457 IRDHNRVJLVZNJS-NSHDSACASA-N 254.286 0.743 10 10 CCCE NCc1ccc(N2CCOC[C@H](O)C2)cc1Cl 399899317 AHTRKGLGKOMAGR-LLVKDONJSA-N 256.733 0.996 10 10 CCCE CN=c1nc2[nH][nH]cc-2c(=NCc2ccccc2O)[nH]1 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C[C@H]1CN(C(=O)c2cccc(O)c2O)CC[S@]1=O 1970332828 OQRQBYISZJQWKC-DCXZOGHSSA-N 269.322 0.691 10 10 CCCE COc1ccc(O)c(CN[C@@H]2C[C@H]3C[C@H]2[C@@H](O)[C@@H]3O)c1 1974124599 ZUPGIYQBRMBFOB-ZQAZLKBPSA-N 279.336 0.621 10 10 CCCE O=C(O)[C@@H]1[C@@H]2OCCN(C(=O)c3cccc(O)c3O)[C@H]21 2149282724 YRTLKVROHPYBKK-QXEWZRGKSA-N 279.248 0.022 10 10 CCCE NC(=O)[C@@H]1CCC[C@@H](NC(=O)Cc2ccc(N)cc2)C1 262638807 YEFCVDUQGVYGQS-DGCLKSJQSA-N 275.352 0.972 10 10 CCCE C[C@@H]1CN(c2cc3c(cc2N)OCC(=O)N3)CC[C@@H]1O 166024206 HUWJJUROWRDBEQ-PELKAZGASA-N 277.324 0.807 10 10 CCCE COC(=O)C(=O)N1CCN(c2ccc(OC)cc2)CC1 166381456 PWLLEQFZJALULY-UHFFFAOYSA-N 278.308 0.517 10 10 CCCE C[C@H](CS(N)(=O)=O)NCc1ccc(F)cc1O 2024898047 UWOFPZDLCRVVAZ-SSDOTTSWSA-N 262.306 0.298 10 10 CCCE Nc1ccc(OCC(=O)NCCN2C[C@H]3C[C@@H]3C2)cc1 2155812506 BVMJAPNHLMVWKZ-VXGBXAGGSA-N 275.352 0.716 10 10 CCCE CNCc1ccc(N(C)CC(CO)CO)c(F)c1 2033018301 LBWCPVOHNPWHPP-UHFFFAOYSA-N 256.321 0.582 10 10 CCCE COC[C@@](C)(O)CNCc1ccc(OC)cc1O 69912473 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KAXHWLWBDOSVJF-UHFFFAOYSA-N 275.352 0.938 10 10 CCCE O=C(O)[C@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)C[C@@H]1F 2188867569 CQZBNPIOXRTCOB-BQBZGAKWSA-N 285.227 0.298 10 10 CCCE Nc1ccc(CCC(=O)N[C@@H]2CCOC[C@H]2CO)cc1 2193258473 MMYMBDCKAYXYCC-TZMCWYRMSA-N 278.352 0.715 10 10 CCCE CCn1nnnc1CN(C)C(=O)c1ccc(O)c(O)c1 2196293920 PBWKPFMBYLJAFS-UHFFFAOYSA-N 277.284 0.376 10 10 CCCE COCCN[C@H](C(N)=O)c1c(O)cccc1OC 2042578646 CJFZFBDVBGNUNU-NSHDSACASA-N 254.286 0.163 10 10 CCCE CCN(c1ccc2c(c1)CC[C@@H]2O)[C@H]1CC(=O)NC1=O 2184732267 RZVJNBVMMPYSAC-STQMWFEESA-N 274.320 0.908 10 10 CCCE CC1(C)[C@H](O)C[C@@]1(CO)NC(=O)Nc1ccc(N)cc1 2193972919 DHTJTWUGRIZATE-RISCZKNCSA-N 279.340 0.912 10 10 CCCE Nc1ccc(OCCNC(=O)CC2COC2)cc1 2056458342 YAZGACLZLIJJIK-UHFFFAOYSA-N 250.298 0.800 10 10 CCCE CN(CCC1CNC1)C(=O)c1cc(O)nc(O)c1 2056828091 PPFGUDURYQKFPZ-UHFFFAOYSA-N 251.286 0.174 10 10 CCCE CCNC(=O)NC(=O)CN1CCC[C@H]1CN=[N+]=[N-] 2059054473 XHSLLOUUDHREOC-QMMMGPOBSA-N 254.294 0.607 10 10 CCCE C[C@H](O)c1cc(F)c(N2CC(=O)NC(=O)[C@H]2C)c(F)c1 2194508994 FPAVITXRWURSDE-RQJHMYQMSA-N 284.262 0.869 10 10 CCCE COc1ccc(CNC[C@H]2CNC(=O)O2)c(O)c1 2066428028 GVCSGVROBBZCJB-JTQLQIEISA-N 252.270 0.599 10 10 CCCE C[C@H](O)CCN(C)C(=O)c1cc(O)c(O)c(O)c1 2068575019 AMQWORLMSHGELN-ZETCQYMHSA-N 255.270 0.646 10 10 CCCE C[C@@H]1CNC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2068620784 JSURZUNUGDQJDF-SVRRBLITSA-N 252.270 0.141 10 10 CCCE Nc1cccc(C(=O)O)c1N[C@@H]1CNCC[C@H]1O 2071718048 QFEMWPNVSSPYHF-NXEZZACHSA-N 251.286 0.102 10 10 CCCE NC(=O)c1cccc(N)c1N[C@@H]1CO[C@H]2COC[C@H]12 2101867919 JBKFJEVHPXPTFF-IEBDPFPHSA-N 263.297 0.193 10 10 CCCE C[C@H](c1ccc(O)cc1O)N1C[C@H](N)[C@H]2COC[C@@H]21 2102140735 KEJMPNNOYZRNJC-KMLBCRHOSA-N 264.325 0.817 10 10 CCCE COCCN(Cc1cccc(OC)c1O)C1CNC1 2103938799 BGVBHCKKTURJSC-UHFFFAOYSA-N 266.341 0.821 10 10 CCCE CN(C)C[C@@H]1CCN1CC(=O)Nc1ccc(N)cc1 2104573285 ADRZJJJGBADSEN-ZDUSSCGKSA-N 262.357 0.843 10 10 CCCE CN[C@H](C)c1ccc(N2CC(NC(N)=O)C2)c(F)c1 2106928929 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COc1ccc(N2C[C@@H](OC)C[C@@H](O)C2)c(CN)c1 2227683714 YGCWQSMMQGVBSU-YPMHNXCESA-N 266.341 0.740 10 10 CCCE Nc1ccc(OC[C@H](O)CN2CC[C@]3(O)C[C@H]3C2)cc1 2279959339 ZXMATFOIASKXIN-LNSITVRQSA-N 278.352 0.465 10 10 CCCE COc1ccc(N2CCNC[C@H]2C(=O)O)c(OC)c1C 2295431537 XSOWWDMCZAKIBQ-NSHDSACASA-N 280.324 0.875 10 10 CCCE COc1cc(N2CC[C@@H]2[C@@H](O)CO)cc(OC)c1OC 2286208128 HRLUQFJXDKNKRM-MNOVXSKESA-N 283.324 0.644 10 10 CCCE OCc1cc(F)c(N2C[C@@H]3C[C@H]2[C@H](O)[C@@H]3O)c(F)c1 2329324574 UATFJHBKQGOGIY-SWMFJSFKSA-N 271.263 0.387 10 10 CCCE O=C(N[C@H]1C[C@H]2CNC[C@@H]1C2)c1cccc(O)c1O 2329450027 JZBWINKWZXMOFX-QXEWZRGKSA-N 262.309 0.826 10 10 CCCE NCc1cc(F)c(N2C[C@@H](O)[C@@H](O)[C@@H]2CF)cc1Cl 2333236330 DJOLLHTYJIZLFY-TUAOUCFPSA-N 292.713 0.818 10 10 CCCE O=C(CN1C[C@H]2C[C@@H](CO)[C@H]2C1)c1ccc(O)c(O)c1 2355416096 HTJYCXHHEOKCTF-WOPDTQHZSA-N 277.320 0.841 10 10 CCCE COC(=O)[C@@]1(c2ccc(O)c(CN(C)C)c2)C[C@H]1N 1952905604 GIUNTBIWBWRNQM-TZMCWYRMSA-N 264.325 0.596 10 10 CCCE Cc1cc(Br)cc(CNC(CO)CO)c1O 133308377 BBNRYRCAOZRHHW-UHFFFAOYSA-N 290.157 0.906 10 10 CCCE CS(=O)(=O)NCCCNCc1ccc(O)cc1O 222007259 ZLZXWZGIXLTGEB-UHFFFAOYSA-N 274.342 0.127 10 10 CCCE Nc1cc(O)ccc1NS(=O)(=O)C[C@H]1CCCO1 236348805 SSQFMWCIUJDKIM-SECBINFHSA-N 272.326 0.895 10 10 CCCE Cc1ccc(O)c([C@@H](C)N2CCOC[C@]2(CN)CO)c1 703210581 CKEIATQUGFTDGF-DOMZBBRYSA-N 280.368 0.784 10 10 CCCE Cn1ncc(N)c1C(=O)Nc1ccc(O)cc1C(=O)O 725143037 FPWJQWGQVPDIAU-UHFFFAOYSA-N 276.252 0.658 10 10 CCCE CC(=O)C(=O)COC(=O)CCC(=O)NC1CCCC1 808533259 WIPPTUWIKNIIFB-UHFFFAOYSA-N 269.297 0.527 10 10 CCCE CN1CCc2cc(N3C[C@@H](N)C[C@@H](C(N)=O)C3)ccc21 2163074354 RLDKSHSTKUWHJL-NEPJUHHUSA-N 274.368 0.318 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N(C)[C@H](C)C(N)=O)c(Cl)cc21 723199484 RYDZTLBAIORSBO-KBUNVGBDSA-N 296.758 0.863 10 10 CCCE CNCc1cc(F)c(N2CC[C@H](O)[C@H](O)C2)c(F)c1 2132135529 SJGNQSXWWXEOEX-NWDGAFQWSA-N 272.295 0.616 10 10 CCCE C[C@@H](NC[C@@]1(CO)COCCN1C)c1cc(F)ccc1O 903277853 CVWHFTFDWXTJER-IAQYHMDHSA-N 298.358 0.875 10 10 CCCE COc1ccc(N2CC[C@@H](NC(=O)[C@@H](C)CN)C2)cc1 851639374 DTBMRTMODGYPOT-NWDGAFQWSA-N 277.368 0.985 10 10 CCCE C[C@H](C(=O)N1Cc2cccc(O)c2C1)S(C)(=O)=O 871198019 DLXAIECOKRISEM-MRVPVSSYSA-N 269.322 0.668 10 10 CCCE Nc1ccc(NC(=O)N[C@@H]2CNCC[C@H]2CO)cc1 1876152169 BQYSMMHVNUCZNF-JOYOIKCWSA-N 264.329 0.361 10 10 CCCE Nc1ccc(NC(=O)N2CCC[C@@](N)(CO)C2)cc1 1876153664 WONVXGBZLFCGCU-ZDUSSCGKSA-N 264.329 0.586 10 10 CCCE CNS(=O)(=O)CCCOC(=O)c1cc(O)cs1 777080039 RXKZUSJVBBKYJE-UHFFFAOYSA-N 279.339 0.550 10 10 CCCE CN(C)c1ccc(CN2CC(O)([C@H](F)C(=O)O)C2)cc1 1875539744 UBECPHREPHDGJC-GFCCVEGCSA-N 282.315 0.722 10 10 CCCE Nc1ccc(CN=c2cc(C(=O)O)c(N)c[nH]2)cc1 1876475987 SJWVSNDKXAXGBH-UHFFFAOYSA-N 258.281 0.978 10 10 CCCE Nc1ccc(OCC(=O)NC[C@@H]2[C@H]3CNC[C@H]32)cc1 1876490662 FCJGVTMDMYMIDL-ITGUQSILSA-N 261.325 0.229 10 10 CCCE [N-]=[N+]=NCCCCN1CCNC(=O)C12CCNCC2 1879136625 GFLONUYSTXMJMQ-UHFFFAOYSA-N 266.349 0.631 10 10 CCCE C[C@@]1(CO)CN(c2ccc(CN)cc2)C[C@@]1(C)CO 704607079 KLHUFUYLSFCOMT-GJZGRUSLSA-N 264.369 0.963 10 10 CCCE CC(=O)c1ccc(O)c(CN2CCN(C)[C@H](CO)C2)c1 687625568 IGJKRUGGORBHMN-AWEZNQCLSA-N 278.352 0.703 10 10 CCCE CN(C)C[C@@H](O)CNCc1ccc2c(c1)CCO2 80209487 JRKMPEPUDRXIRH-ZDUSSCGKSA-N 250.342 0.634 10 10 CCCE O=C(CN1C[C@@H]2C[C@H](C1)C2O)c1ccc(O)c(O)c1 2116307194 NQTDNYCRHPLIBW-XFLKPENQSA-N 263.293 0.593 10 10 CCCE COc1ccc(N2CCN[C@@H](C(=O)O)C2)c(OC)c1 217171692 GZYREICGCRJYAJ-SNVBAGLBSA-N 266.297 0.567 10 10 CCCE C[P@]1(=O)C[C@H](O)[C@@H](Nc2c(N)cccc2C(N)=O)C1 2121465230 HXWCEWAPXVEVFF-ZPEMSAPTSA-N 283.268 0.516 10 10 CCCE COc1ccc(N2CCN3C(=O)NC[C@H]3C2)c(N)c1 213449603 JDSPCEFPDLSYSH-VIFPVBQESA-N 262.313 0.491 10 10 CCCE C[C@H](c1c(O)cccc1O)N1CC[C@H](CO)[C@@H](N)C1 2122334178 KMXFYFYXTKKPSH-MXWKQRLJSA-N 266.341 0.800 10 10 CCCE O=C(CN1CCCCC1=O)NCc1cc(O)ccc1O 1593873439 PIRLFIVVYRKELZ-UHFFFAOYSA-N 278.308 0.727 10 10 CCCE CC1(C)OC[C@H](NC(=O)Nc2ccc(N)cc2)[C@@H]1O 1910983141 AHYMLCUYEKIQJM-QWRGUYRKSA-N 265.313 0.929 10 10 CCCE Nc1ccc(OCC(=O)N2CCOC[C@@H]2CF)cc1 2126204105 KHWHOZXIRVREQH-NSHDSACASA-N 268.288 0.845 10 10 CCCE C[C@H](CCO)CCNC(=O)c1cc(O)c(O)c(O)c1 2132348690 QRBYDONABDCSEB-QMMMGPOBSA-N 269.297 0.942 10 10 CCCE C[C@H](N)C[S@](C)(=O)=NC(=O)c1cc(O)c(O)c(O)c1 2132411990 ZINBHKKJVURWTG-PVDFSEMESA-N 288.325 0.389 10 10 CCCE NCC[C@H](NC(=O)c1cc(O)c(O)c(O)c1)C(F)F 2132409525 GLINMJAHDRFWAD-LURJTMIESA-N 276.239 0.516 10 10 CCCE CCOC(=O)CCNC(=O)Cc1ccc(O)c(O)c1 1142507449 YVZKNBBICGWVKW-UHFFFAOYSA-N 267.281 0.710 10 10 CCCE CCOC(=O)NC(=O)CN1CC[C@H](CN=[N+]=[N-])C1 1912147508 JWDHVGBAGKKWDC-MRVPVSSYSA-N 255.278 0.891 10 10 CCCE COC1(C(=O)O)CN([C@@H](C)c2cc(O)ccc2O)C1 1917713716 AYPFORCZHFDNFD-QMMMGPOBSA-N 267.281 0.944 10 10 CCCE CC(=O)C(=O)[C@](C)(O)CN(C)C(=O)OC(C)(C)C 1919320701 LQJHQBURCHVHSR-GFCCVEGCSA-N 259.302 0.762 10 10 CCCE [N-]=[N+]=NCCN[C@H](C(N)=O)[C@@H]1C[C@@H]1C1CCOCC1 2135661689 CYSRBIWXQJUVAE-MXWKQRLJSA-N 267.333 0.803 10 10 CCCE CN1CC[C@H](CNC(=O)Nc2ccc(N)cc2)C1=O 1968121415 JJLLGTUOFQFTLC-SECBINFHSA-N 262.313 0.869 10 10 CCCE CN(CC(=O)N1CCNCC1)Cc1c(O)cccc1Cl 128314727 FBGUPFGNCNINFV-UHFFFAOYSA-N 297.786 0.909 10 10 CCCE CNC(=O)[C@H]1CNCCN1Cc1c(O)cccc1Cl 128339264 DYHDSLKGICRRMR-LLVKDONJSA-N 283.759 0.565 10 10 CCCE C[C@H]1CNC[C@@H](CC(=O)NCc2ccccc2O)O1 1969154501 NRAHVXCYOBXJND-CMPLNLGQSA-N 264.325 0.775 10 10 CCCE CC(C)(C)n1nnc([C@H](O)[C@@H](N)c2ccccc2O)n1 2148146177 BWGUNZSGBQTNHR-WDEREUQCSA-N 277.328 0.867 10 10 CCCE Nc1ccc(OC[C@H](O)CN2CCC(O)CC2)cc1 36669950 CHIKQZQBBUVSPS-CYBMUJFWSA-N 266.341 0.465 10 10 CCCE NC(=O)C(F)(F)CNC(=O)[C@@H]1CNc2ccccc2N1 2145982811 SCHVRQGLZXNEIQ-VIFPVBQESA-N 284.266 0.129 10 10 CCCE Nc1ccc(NC(=O)N2CCC([C@@H](O)CO)CC2)cc1 2152470495 UYWPIFIDCHUYRN-ZDUSSCGKSA-N 279.340 0.866 10 10 CCCE O=C(O)CO[C@H]1CCN(C(=O)c2ccc(O)c(O)c2)C1 2153117899 IUKIVRZXJAWADR-VIFPVBQESA-N 281.264 0.414 10 10 CCCE O=S(=O)(C[C@H]1CC[C@@H]1O)Nc1ccc(O)cc1 2008742024 PSCNZXKAAAITKJ-KCJUWKMLSA-N 257.311 0.905 10 10 CCCE Nc1ccc(OCCN2CC[C@@](CO)(CCO)C2)cc1 2153352665 CZUHOPZAJUHIBC-OAHLLOKOSA-N 280.368 0.714 10 10 CCCE CCS(=O)(=O)CC(=O)N1CCC[C@H]1CN=[N+]=[N-] 2015468315 GGVBVTXRKZXRBG-QMMMGPOBSA-N 260.319 0.722 10 10 CCCE C[C@@H]1C[C@@H](CO)CN1C[C@H](O)COc1ccc(N)cc1 2156550264 LSBQNVBEUAOWCA-BZPMIXESSA-N 280.368 0.711 10 10 CCCE Nc1ccc(CC(=O)N2C[C@H]3C[C@H]2[C@@H]3C(=O)O)cc1 400146142 NWVHVVJUTOGYNF-SUZMYJTESA-N 260.293 0.743 10 10 CCCE C[C@H]1C[C@H](NS(=O)(=O)Cc2ccc(N)cc2)CO1 402068945 YATBBVSLMASDRA-CABZTGNLSA-N 270.354 0.866 10 10 CCCE CO[C@@]1(CO)CCN(c2ccc3c(c2)NC(=O)[C@H]3N)C1 402939230 WSYORBSNNYMYTK-JSGCOSHPSA-N 277.324 0.226 10 10 CCCE CC(C)NCc1ccc(N(C)C(CO)CO)cc1 310827151 JJGNLDLSSKEAML-UHFFFAOYSA-N 252.358 0.974 10 10 CCCE Cn1cc(C(=O)NCCOc2ccc(N)cc2)nn1 311712377 SFNNNWPFJBUSQY-UHFFFAOYSA-N 261.285 0.206 10 10 CCCE Cc1cc(O)ccc1NS(=O)(=O)c1n[nH]cc1C(=O)O 80357740 WVBNGKGIIDGHCF-UHFFFAOYSA-N 297.292 0.923 10 10 CCCE CN(c1ccc2c(c1)NC(=O)[C@@H]2O)[C@H]1CN2CC[C@H]1C2 2158727527 AYNVWYQRGAIPFA-QCZZGDTMSA-N 273.336 0.812 10 10 CCCE CC(=O)NCCC(=O)NCCOc1ccc(N)cc1 700756452 BTFUSJBYOZPGSO-UHFFFAOYSA-N 265.313 0.290 10 10 CCCE CCn1ncc(CN(C)C(=O)c2cccc(O)c2O)n1 2172424399 PJCHGMFAYSBAAF-UHFFFAOYSA-N 276.296 0.981 10 10 CCCE C[C@H]1CN(c2ccc3c(c2)NC(=O)[C@@H]3N)CCS1(=O)=O 707158441 FVNINTSLTLPGGD-QPUJVOFHSA-N 295.364 0.262 10 10 CCCE C[C@H]1NCCN(C(=O)c2cccc(O)c2O)[C@@H]1C 379431281 IQGZLFGGNMMPOL-RKDXNWHRSA-N 250.298 0.920 10 10 CCCE CN(C)C[C@H](O)COC(=O)CCOc1ccc(N)cc1 383924539 SYVOKBGLEUSBOT-LBPRGKRZSA-N 282.340 0.503 10 10 CCCE O=S(=O)(C[C@H]1N[C@H]2CC[C@H]1C2)NCc1ccccc1O 2178690419 AOGJSRZJASOEPG-WCFLWFBJSA-N 296.392 0.952 10 10 CCCE O=C1Nc2cc(N3CCS[C@H](CO)C3)ccc2[C@@H]1O 720038990 SPIPCXACQJYEOF-CABZTGNLSA-N 280.349 0.586 10 10 CCCE Nc1ccc(OCC(=O)NC[C@H]2C[C@@H](O)C2)cc1 720968797 CWYGJEQORLNYFU-JGZJWPJOSA-N 250.298 0.535 10 10 CCCE C[C@@H]1NC(=O)CC[C@@H]1NCc1ccc(O)c(O)c1 392861916 DVRNQODIPZTIHV-WPRPVWTQSA-N 250.298 0.855 10 10 CCCE CS(=O)(=O)c1cnn(Cc2cc([N+](=O)[O-])ccc2O)c1 2070205475 UAGNCAOVDXKBIX-UHFFFAOYSA-N 297.292 0.949 10 10 CCCE CC1(C)CO[C@@H](Cn2ccc3c(c2=O)CNCC3)CO1 2176666449 YOXOCKSOMNBZAI-LBPRGKRZSA-N 278.352 0.688 10 10 CCCE NCc1ccc(N2CC[C@]3(CNC(=O)N3)C2)c(F)c1F 2177695925 LPCZWKMLKJDLPY-ZDUSSCGKSA-N 282.294 0.685 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3CCOC[C@H]3CF)cc21 2182607410 ZWTFSCBMTAMSHH-ZWNOBZJWSA-N 279.315 0.838 10 10 CCCE CN(c1ccc2c(c1)NC(=O)[C@@H]2N)[C@H]1CCC(=O)NC1 2183443704 VOVUCBLHUUOYBI-TVQRCGJNSA-N 274.324 0.353 10 10 CCCE CN(CCCN=[N+]=[N-])S(=O)(=O)N1CCC[C@H]1CO 2043590778 SZPUIXOSIXMDQB-VIFPVBQESA-N 277.350 0.320 10 10 CCCE COC(=O)CC[C@@H](O)CN1CC[C@@H](CN=[N+]=[N-])C1 2043784314 FGMBPHAGVHWCFW-VHSXEESVSA-N 256.306 0.933 10 10 CCCE CC1CC(CN)(NC(=O)c2cccc(O)c2O)C1 2045112660 VFOIYGPQKQFDOG-UHFFFAOYSA-N 250.298 0.955 10 10 CCCE Nc1ccc(OCC(=O)N[C@@H]2CC[C@H]3C[C@H]2CN3)cc1 2191754213 OQSBBBIPUCFDQD-VHRBIJSZSA-N 275.352 0.904 10 10 CCCE NC(=O)[C@@H]1CCC[C@@H]1NCc1cccc(O)c1O 2053790312 WYQFLCIBHHFWCM-ZJUUUORDSA-N 250.298 0.841 10 10 CCCE N=c1[nH]cc(CNC(=O)Cc2ccc(N)cc2)s1 2071725983 CJWIKSOUSQOZOT-UHFFFAOYSA-N 262.338 0.997 10 10 CCCE CCC[C@@]1(NC(=O)c2cc(O)nc(O)c2)CCNC1 2101356131 MUUYGAFSUOWRJW-CYBMUJFWSA-N 265.313 0.755 10 10 CCCE CCC(=O)NCCCNC(=O)c1ccc(O)c(O)c1 2102493459 AUOHWPNHVYQZRY-UHFFFAOYSA-N 266.297 0.744 10 10 CCCE O=[N+]([O-])c1ccc(N2C[C@@H](O)C[C@@H](O)C2)cc1CO 2105111449 SCEOEFNGHYUFQX-PHIMTYICSA-N 268.269 0.019 10 10 CCCE Nc1ccc(CC(=O)N[C@]23COC[C@@H]2C3(F)F)cc1 2105566605 ZBSLZUSPBUMAFH-CMPLNLGQSA-N 268.263 0.962 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N3CC=C[C@@H](O)C3)ccc21 2108779978 NTEOQMIRFFDACY-ZWNOBZJWSA-N 259.309 0.636 10 10 CCCE C[C@H](O)c1ccc(N2CCCC2(CO)CO)cc1O 2089868901 WKKLUJNLWVSRIN-JTQLQIEISA-N 267.325 0.769 10 10 CCCE CNCc1ccc(N2C[C@]3(CO)C[C@@]3(CO)C2)cc1 2090114172 RIUSVUQKVMEICF-GJZGRUSLSA-N 262.353 0.587 10 10 CCCE NCc1ccc(N2C[C@]3(CO)C[C@]3(CO)C2)c(Cl)c1 2090118091 CPRJGJABDUGFSC-OKILXGFUSA-N 282.771 0.980 10 10 CCCE COC(=O)[C@@H](C1CC1)S(=O)(=O)N1CC[C@@H](N=[N+]=[N-])C1 2110770825 XNGNQJUUHXMAKB-RKDXNWHRSA-N 288.329 0.652 10 10 CCCE CCO[C@@H]1COCC[C@]1(O)[C@H](N)c1ccccc1O 2091866227 DWYZHNDXGVEEMK-MGPQQGTHSA-N 267.325 0.949 10 10 CCCE Nc1ccc(OCCC(=O)N2C[C@H](F)[C@H](O)C2)cc1 2092771101 SGELLMCSPLMRRH-NWDGAFQWSA-N 268.288 0.579 10 10 CCCE O=C(NC[C@H]1C[C@@H](O)CCO1)c1cccc(O)c1O 2097944247 BUFGXJGHXBSEDR-DTWKUNHWSA-N 267.281 0.368 10 10 CCCE CC1(C)C[C@@H](NC(=O)c2cc(O)nc(O)c2)CCN1 2098848462 FNZIYDBPZLFYFB-VIFPVBQESA-N 265.313 0.753 10 10 CCCE CCn1nnnc1CN[C@@H](C)c1c(O)cccc1O 2113069600 HZVZFNRWYXNIHO-QMMMGPOBSA-N 263.301 0.955 10 10 CCCE C[C@@H](CO)N1CCN(c2ccc(CN)c(F)c2)CC1 2113061451 HRBOBWCIEOJDLP-NSHDSACASA-N 267.348 0.787 10 10 CCCE COc1cc(C)c(N2C[C@H](O)[C@@H](O)[C@@H]2CO)c(C)c1 2269596278 RXDRINJBMYSYGU-OBJOEFQTSA-N 267.325 0.215 10 10 CCCE [N-]=[N+]=N[C@@H]1CCC[C@H]1NS(=O)(=O)N1CC[C@@H](O)C1 2218746422 QJGSNOQQPDYCOY-IWSPIJDZSA-N 275.334 0.119 10 10 CCCE COC(=O)[C@H]1CC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2233075283 HABXPPXNWJNADU-JGVFFNPUSA-N 281.264 0.485 10 10 CCCE NCCc1n[nH]cc1C(=O)N1CCCc2ncccc21 2235311524 APIUEUCUBFSCKB-UHFFFAOYSA-N 271.324 0.899 10 10 CCCE CNCc1cc(OC)ccc1N1CCN(C)C[C@@H]1CO 2235961519 YYTIXZFORYYQQW-CYBMUJFWSA-N 279.384 0.527 10 10 CCCE COc1ccc(N2C[C@H]3C[C@H]2[C@H](O)[C@@H]3O)c(C=O)c1 2227693442 WZQXHXHLJXSCEN-XAGKMFGPSA-N 263.293 0.438 10 10 CCCE COc1cc(OC)c(N(CCN)CCN)cc1OC 2273710373 FIFPGVFAJLATBB-UHFFFAOYSA-N 269.345 0.436 10 10 CCCE NCCCN(CCO)C(=O)CCc1ccc(N)cc1 2266402786 HIAMTYHTKOPBSW-UHFFFAOYSA-N 265.357 0.371 10 10 CCCE F[C@H]1COC[C@H]1NCc1ccc(N2CCNCC2)cc1 2286066335 RNLXVHHZSSTCFH-LSDHHAIUSA-N 279.359 0.923 10 10 CCCE O=C(NC[C@@H]1C[C@H]2CC[C@@H]1N2)c1cc(O)c(O)c(O)c1 2356974687 AHNMXSGHBDDKLW-AEJSXWLSSA-N 278.308 0.674 10 10 CCCE NC[C@@H]1C[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)[C@@H]2C[C@H]12 2356974766 CHGIVOACLVXZLF-SGIHWFKDSA-N 278.308 0.517 10 10 CCCE Oc1cc2c(c(O)c1O)CCN[C@@H]2[C@@H]1CSCN1 75819145 DTSYUUNUDKIJJQ-WPRPVWTQSA-N 268.338 0.653 10 10 CCCE C[C@H](CC(N)=O)NC(=O)COc1ccc(N)cc1 136064395 UAAIZHBQMGPXEB-MRVPVSSYSA-N 251.286 0.028 10 10 CCCE CNCc1ccc(N(C)C[C@@H](O)COC)c(F)c1 42511681 XROCXNDEQDNTOE-LLVKDONJSA-N 256.321 0.989 10 10 CCCE CCCCOC(=O)CN(CC(N)=O)Cc1ccc(N)cc1 43447449 BJVHIHDNOYRRNI-UHFFFAOYSA-N 293.367 0.899 10 10 CCCE CNS(=O)(=O)CCN[C@@H](C)c1ccc(O)cc1O 230982353 VPOZQLMAOOMYFT-QMMMGPOBSA-N 274.342 0.298 10 10 CCCE NC(=O)COCCNCc1cc(Cl)ccc1O 230046606 AQFALCGVMQPXEU-UHFFFAOYSA-N 258.705 0.637 10 10 CCCE Cn1nccc1S(=O)(=O)Nc1ccc(O)cc1N 236078183 IVDWGKRTNJCZSQ-UHFFFAOYSA-N 268.298 0.509 10 10 CCCE Nc1ccc(OC[C@H](O)CN2CC([C@@H](F)CO)C2)cc1 2166905502 KYDZSTNDTIFHBS-OCCSQVGLSA-N 284.331 0.271 10 10 CCCE CO[C@H](C(=O)O)C(=O)NCc1ccc(N(C)C)c(F)c1 901754571 MDVFOBPEKXKQSL-NSHDSACASA-N 284.287 0.608 10 10 CCCE C[C@@H](NCCc1nnnn1C)c1cc([N+](=O)[O-])ccc1O 756674930 DNPIPAWSBBWPGJ-MRVPVSSYSA-N 292.299 0.717 10 10 CCCE COCCOCC(=O)N1Cc2cccc(O)c2C1 871202301 CQTXOCPINXRRID-UHFFFAOYSA-N 251.282 0.897 10 10 CCCE C[C@@H]1[C@@H](N)CCN1c1cc2c(cc1N)OCC(=O)N2 1876303556 AEOBQSXJVVZZRS-SFYZADRCSA-N 262.313 0.526 10 10 CCCE C=CC(=O)NCCC(=O)N1Cc2cccc(O)c2C1 871203706 QNRZEENSGSMVJS-UHFFFAOYSA-N 260.293 0.927 10 10 CCCE CN(C)C(=O)/C=C/C(=O)NCc1ccc(O)c(O)c1 1137443208 HANASBSHFFVADC-AATRIKPKSA-N 264.281 0.358 10 10 CCCE Cc1nn(C)cc1CNC(=O)Cc1ccc(O)c(O)c1 1138178276 ZVHTYXRNCMHTPA-UHFFFAOYSA-N 275.308 0.999 10 10 CCCE CC(C)(C)[C@@H](O)[C@@H](N)C(=O)NCc1ccccc1O 1878025400 IALNIXDFSWIPCA-NEPJUHHUSA-N 266.341 0.743 10 10 CCCE NCCCc1nnc(CN2C(=O)CSC2=S)o1 83535553 TYAQTERZHBMVHH-UHFFFAOYSA-N 272.355 0.321 10 10 CCCE O=C(CCNC(=O)c1cccc(O)c1O)Nc1ncc[nH]1 1161016846 LUAAFUBVWLBKDU-UHFFFAOYSA-N 290.279 0.580 10 10 CCCE CCOC(=O)CS(=O)(=O)Nc1ccc(O)cc1F 85203922 PBUPUGDORBLFPR-UHFFFAOYSA-N 277.273 0.836 10 10 CCCE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(N=[N+]=[N-])C1 1885562066 ADRLAHRPVFYDLM-APPZFPTMSA-N 299.331 0.782 10 10 CCCE C[C@]1(CNC(=O)c2cccc(O)c2O)CCCN1 97911917 RKCBTMLYMSOQCX-CYBMUJFWSA-N 250.298 0.970 10 10 CCCE COc1ccc(N2CC[C@@H](NS(C)(=O)=O)C2)c(N)c1 702964120 KIEPYDXSLVPYEB-SECBINFHSA-N 285.369 0.405 10 10 CCCE C[C@@H]1C[C@@]1(C)NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 704129176 SBAGQCNFGDCKNU-IPURGOFSSA-N 264.325 0.882 10 10 CCCE C[C@@H](N)c1ccc(N2C[C@@H](CO)[C@H](CO)C2)cc1 704769172 DEONFQRAHUMORJ-WXHSDQCUSA-N 250.342 0.743 10 10 CCCE N=C(CN(C(=O)c1ccc(O)c(O)c1)C1CC1)NO 706811923 ZGLSLFYIRXUTPG-UHFFFAOYSA-N 265.269 0.658 10 10 CCCE O=C(/C=C/c1ccc(O)c(O)c1)NCCOCCCO 1322729618 VVTNBPZILPATHP-HWKANZROSA-N 281.308 0.626 10 10 CCCE Cn1cc(CCC(=O)NCCc2ccc(O)c(O)c2)nn1 1347706029 RMXPTESEFPGXSL-UHFFFAOYSA-N 290.323 0.518 10 10 CCCE COc1ccc(N2CCN(C)C[C@H]2C(=O)O)cc1 214571200 QXXNDXGVYKBJEL-LBPRGKRZSA-N 250.298 0.900 10 10 CCCE CN[C@]1(CO)CCN(c2ccc(OC)c(OC)c2)C1 259387604 QOTGKJDRCGWVOJ-CQSZACIVSA-N 266.341 0.864 10 10 CCCE O=C(NCc1cc(O)ccc1O)c1ccc(O)nn1 1637122421 GHTZMGZKRXDUFN-UHFFFAOYSA-N 261.237 0.523 10 10 CCCE O=C(CCn1ccccc1=O)NCc1c(O)cccc1O 1635843266 KDNBIMCYBQUBQP-UHFFFAOYSA-N 288.303 0.966 10 10 CCCE O=C(NCc1c(O)cccc1O)[C@@H]1CC(=O)N(C2CC2)C1 1647270176 NOAXYDJHVORWNM-SECBINFHSA-N 290.319 0.725 10 10 CCCE O=C(NCc1ccc(O)cc1O)c1cc(=O)cc[nH]1 1643104012 LDQBBTCNKLCROS-UHFFFAOYSA-N 260.249 0.716 10 10 CCCE C[C@H]1C(=O)N(NC(=O)c2cccc(O)c2O)C(=O)N1C 1585137487 IMQUDDPBDJROCG-LURJTMIESA-N 279.252 0.025 10 10 CCCE CN(C)[C@@H]1CCN(c2ccc3c(c2)NC(=O)[C@H]3N)C1 250353432 LVJXPVPWGZLCRP-MFKMUULPSA-N 260.341 0.779 10 10 CCCE Oc1ccc(CNCC2(O)CCOCC2)cc1O 162275700 QFFYMPINVXOGKF-UHFFFAOYSA-N 253.298 0.729 10 10 CCCE C[C@@]1(CO)C[C@H](O)CN1c1ccc2c(c1)CC[C@@H]2O 2128324122 ADQSDOLOIISRHH-QEJZJMRPSA-N 263.337 0.988 10 10 CCCE CN(C(=O)c1cc(O)c(O)c(O)c1)[C@H]1CCCNC1 2132414127 UDTQZBCNYGGOLD-VIFPVBQESA-N 266.297 0.627 10 10 CCCE CN(C[C@H]1CCN1C)C(=O)c1cc(O)c(O)c(O)c1 2132408872 AHSMMMMFUDJJJY-SECBINFHSA-N 266.297 0.580 10 10 CCCE COc1ccc(N(C)C(=O)C2=C[C@@H](O)[C@H](N)C2)cc1 2131474002 GNMUKYHJRXSHEX-CHWSQXEVSA-N 262.309 0.676 10 10 CCCE CCN1CCC[C@](NCCCN=[N+]=[N-])(C(N)=O)C1 1912186844 GTCCJZWYEPKTCU-LLVKDONJSA-N 254.338 0.616 10 10 CCCE CCCO[C@@H]1CS(=O)(=O)C[C@@H]1N1CC(N=[N+]=[N-])C1 1912208443 SLPHHEDJHJAGQB-VHSXEESVSA-N 274.346 0.573 10 10 CCCE CN(C(=O)CN=S1(=O)CCOCC1)c1ccc(N)cc1 1913485862 JILSUZOKGRDNSD-UHFFFAOYSA-N 297.380 0.730 10 10 CCCE Nc1ccc(NC(=O)CCN2C[C@@H](O)CCC2=O)cc1 1914105832 ONLULPVGSGJZFX-LBPRGKRZSA-N 277.324 0.581 10 10 CCCE Nc1ccc(N2CCN(S(=O)(=O)C3COC3)CC2)cc1 1923172560 LXJRHZIPQRUMOI-UHFFFAOYSA-N 297.380 0.119 10 10 CCCE C[C@H](c1cc(O)ccc1O)N1C[C@H](O)C[C@H]1C(=O)O 2136093268 IBXSAVWETYWZAR-ZOFUNIGCSA-N 267.281 0.679 10 10 CCCE O=C(NCCC1=CCNCC1)c1cc(O)nc(O)c1 231361199 WPBJDPHFXHAXAT-UHFFFAOYSA-N 263.297 0.532 10 10 CCCE Nc1ccc(CC(=O)NCCN2C[C@@H]3C[C@H]3C2)cc1 1967203748 IVJNHWYKTXRBLV-STQMWFEESA-N 259.353 0.879 10 10 CCCE COC[C@H](CNC(=O)[C@H]1CNc2ccccc2N1)OC 234747230 UKPLVKZQVROXCC-GXFFZTMASA-N 279.340 0.670 10 10 CCCE Oc1c(F)cc(F)cc1CN[C@@H]1C[C@H]2C[C@H]1[C@H](O)[C@H]2O 1974158189 QNIPFACFRZPRQG-CUNNUPQLSA-N 285.290 0.890 10 10 CCCE CCN1CC[C@H]([C@@H](O)CCc2ccc(N)cc2)S1(=O)=O 2145771751 AKNRIFRVJGKVCO-UONOGXRCSA-N 298.408 0.986 10 10 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C[C@H]1CN(C)C[C@@H](C(=O)Nc2ccc(O)c(O)c2)O1 2065115904 YFHLTNFNMHNMFI-UFBFGSQYSA-N 266.297 0.755 10 10 CCCE N[C@@H]1COC[C@@H]1Cc1nc(-c2ccc(O)c(O)c2)no1 2187954247 OPOZLXBEUSMDQN-DTWKUNHWSA-N 277.280 0.664 10 10 CCCE CN1C[C@@H](N(C)c2ccc3c(c2)NC(=O)[C@H]3O)CC1=O 2188480450 POMPMQPXJUIJQN-ZANVPECISA-N 275.308 0.339 10 10 CCCE Oc1ccc(CNC2CC(O)(C3(O)CCC3)C2)c(O)c1 2182233311 KFNZAEKFYYHEEW-UHFFFAOYSA-N 279.336 0.996 10 10 CCCE CC(C)SC[C@H](N)C(=O)C(=O)C[C@H]1C[C@H](N)C1 1906906491 SXHURMPJCSNGTG-GUBZILKMSA-N 258.387 0.721 10 10 CCCE Nc1ccc(CCC(=O)NCC[C@H]2CCNC2=O)cc1 2196757545 VUWGBHSKCQRALY-LBPRGKRZSA-N 275.352 0.844 10 10 CCCE CN[C@H]1CCN(C(=O)c2cccc(O)c2O)[C@@H]1C 2051930509 PGEGBNLUSPZMTF-SCZZXKLOSA-N 250.298 0.920 10 10 CCCE CCON(C(=O)c1ccc(O)c(O)c1)C1CNC1 2054542123 UKKWSBOAIZPCPP-UHFFFAOYSA-N 252.270 0.463 10 10 CCCE C[C@@H](OCCc1ccc(N)cc1)C(=O)NC(N)=O 2056190219 WEFFZKRPPRMUQG-MRVPVSSYSA-N 251.286 0.411 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCNCC12CC2 2185901807 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CCCE CN1C(=O)[C@H](O)c2ccc(N3CC=C[C@H](O)C3)cc21 2108773483 OGJYKHRFSQHBES-GXFFZTMASA-N 260.293 0.434 10 10 CCCE CNCc1ccc(N2CC[C@@H](OCC(N)=O)C2)cc1 2089132870 HWVANZXSOCRCQF-CYBMUJFWSA-N 263.341 0.487 10 10 CCCE CO[C@@H]1CN(C(=O)c2cccc(O)c2O)CC[C@H]1O 2090577304 TYJVTOJLIYIUKI-MWLCHTKSSA-N 267.281 0.320 10 10 CCCE COc1cccc(CN2C[C@H](OC)C[C@H]2CN)c1O 2090738552 FTLBMMRULKFIEW-NWDGAFQWSA-N 266.341 0.949 10 10 CCCE NC[C@]1(F)C[C@H](CNC(=O)c2cc(O)nc(O)c2)C1 2111940136 FZVYYCSRXCJKEO-HCJPZQEFSA-N 269.276 0.300 10 10 CCCE O=C(NC12CC(C(=O)O)(C1)C2)c1ccc(O)c(O)c1 2092300600 LNDIIJUGHHILIT-UHFFFAOYSA-N 263.249 0.835 10 10 CCCE Nc1ccc(OCC(=O)N2C[C@H]3CO[C@@H](C3)C2)cc1 2095977418 GWWVZZRPFORRAM-GWCFXTLKSA-N 262.309 0.895 10 10 CCCE CNCc1ccc(N2C[C@@H]3OCCN(C)[C@H]3C2)cc1 2097703919 UEIPJFIMZLULMI-GJZGRUSLSA-N 261.369 0.925 10 10 CCCE CCN(c1ccc(CO)cc1F)[C@H]1CC(=O)NC1=O 2114729838 NHBYVXVRDRELGN-NSHDSACASA-N 266.272 0.559 10 10 CCCE COc1cc(N2C[C@@H]3[C@H](CO)CO[C@H]3C2)ccc1CO 2204554145 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0.980 10 10 CCCE N[C@H]1CC[C@H]1S(=O)(=O)NCc1ccccc1O 2300762900 JAESAMYKKVONKO-GXSJLCMTSA-N 256.327 0.301 10 10 CCCE COC(=O)NC1CN(c2ccc(CO)cc2F)C1 2326855355 DYXQVFUAFMUPPV-UHFFFAOYSA-N 254.261 0.863 10 10 CCCE Nc1ccc(O)c(CN2CC[C@@H]3C[C@H]2[C@@H](O)[C@H]3O)c1 2332589302 SZPUGPIFKRVZFU-SCLYENHESA-N 264.325 0.290 10 10 CCCE C[C@H]1CCO[C@H]1C(=O)N(CC(N)=O)Cc1ccc(N)cc1 122234101 GCNXAFMBUODFHM-IINYFYTJSA-N 291.351 0.508 10 10 CCCE CC[C@@H](CO)N1CCN(C(=O)c2cccc(O)c2O)CC1 185874758 HUSXFNNHTPHTSI-NSHDSACASA-N 294.351 0.627 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)OCC1CC1 40396927 XFKVPJFGSYWHCL-JTQLQIEISA-N 251.282 0.921 10 10 CCCE COCCNC(=O)COC(=O)CCOc1ccc(N)cc1 49279385 XCYPIEPKVUQEID-UHFFFAOYSA-N 296.323 0.344 10 10 CCCE CCNC(=O)NC(=O)[C@H](C)OC(=O)Cc1ccc(N)cc1 41098606 RJFPCMXNVQQULT-VIFPVBQESA-N 293.323 0.589 10 10 CCCE Nc1ccc(CCNS(=O)(=O)c2ccn[nH]2)cc1 223192632 TWAUHHGXDNEXJG-UHFFFAOYSA-N 266.326 0.513 10 10 CCCE Nc1ccc(OCCNC(=O)N2CCOCC2)cc1 91969984 BQFQPIFXTCHRLY-UHFFFAOYSA-N 265.313 0.689 10 10 CCCE CCN(CC(C)(C)O)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 92983980 OCNFEKKRUWVRCN-NSHDSACASA-N 296.367 0.587 10 10 CCCE O=C(O)[C@H]1CN(c2ccc3c(c2)OCO3)CC[C@H]1O 606603191 DPEAZLUXKMEQAT-VHSXEESVSA-N 265.265 0.687 10 10 CCCE COC(=O)C12CCC(C(=O)OCC(=O)C(C)=O)(CC1)C2 808541640 MMXROBZDZOQLQO-UHFFFAOYSA-N 282.292 0.811 10 10 CCCE CNC(=O)[C@@H]1CNCCN1c1ccc(OC)cc1OC 2162634902 DPCOQMUSOCJACK-LBPRGKRZSA-N 279.340 0.228 10 10 CCCE CNC(=O)CCN(C)c1ccc2c(c1)NC(=O)[C@@H]2NC 723193062 ZRJPALVQVHLWOA-CYBMUJFWSA-N 276.340 0.472 10 10 CCCE CC(=O)C(=O)COC(=O)C1CN(CC(F)(F)F)C1 808545109 PIJKBKYKJKTNPF-UHFFFAOYSA-N 267.203 0.182 10 10 CCCE CN1CCN(CC(=O)Nc2ccc(N)cc2)[C@H]2CC[C@H]21 2168370656 IDIIBEOCSVMLGX-KGLIPLIRSA-N 274.368 0.986 10 10 CCCE [N-]=[N+]=NCCCN[C@]1(C(N)=O)C[C@@H]2[C@@H]1[C@H]1CC[C@H]2O1 2132136579 WHGIZCCXIKLRNP-PORUNHMFSA-N 265.317 0.698 10 10 CCCE CCN(OC)C(=O)CNC(=O)NCc1ccccc1O 826036030 UCRXKWSOPGSKNY-UHFFFAOYSA-N 281.312 0.601 10 10 CCCE CN[C@@H](C)c1ccc(N2CC[C@@H](NC(N)=O)C2)cc1O 723173382 ILTDSDMJTKITEB-VHSXEESVSA-N 278.356 0.920 10 10 CCCE N[C@H]1CC[C@H](C(=O)O)N(Cc2ccc(O)c(O)c2)C1 2132271820 AGWFYGOKSKBSEQ-VHSXEESVSA-N 266.297 0.474 10 10 CCCE C[C@H](O)CN(C[C@H](O)COc1ccc(N)cc1)C1CC1 691405855 WTLBDVMEHLRZIN-FZMZJTMJSA-N 280.368 0.854 10 10 CCCE C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)Cc1ccc(O)c(O)c1 1136290278 ILNZGYBIUFZMOJ-MWLCHTKSSA-N 292.335 0.753 10 10 CCCE C[C@H](NC(=O)[C@@H]1CO[C@@H](CN)C1)c1ccccc1O 1877587495 FOYKJSKJTYWLHZ-GARJFASQSA-N 264.325 0.933 10 10 CCCE C[C@@H]1OCCN[C@H]1C(=O)N[C@H](C)c1ccccc1O 1877579089 SWLHOLHSTWBYAA-GBIKHYSHSA-N 264.325 0.946 10 10 CCCE CN(C)c1ccc(CN(CC(=O)O)CC(=O)O)cc1 86773916 BDYRLTVIQGLQKO-UHFFFAOYSA-N 266.297 0.724 10 10 CCCE COCCOC[C@@H]1NCCc2c(O)ccc(O)c21 75799734 MJXWGEUOFBXHAP-JTQLQIEISA-N 253.298 0.948 10 10 CCCE C[C@@H]1CN(CCC(N)=O)c2cc3c(cc2N1)OCO3 76928830 BZMFCOFPAMEBTG-MRVPVSSYSA-N 263.297 0.911 10 10 CCCE N[C@@H](C(=O)NCc1ncc[nH]1)c1ccc(O)cc1O 83452185 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COC[C@H](CCO)NC(=O)c1ccc(N=NC(N)=O)cc1 1622909957 SWZGLNWZUZFQBR-NSHDSACASA-N 294.311 0.976 10 10 CCCE COc1ccc(N2C[C@@H]3OC[C@@H](CO)[C@@H]3C2)c(N)c1 2121592788 NKLFZGCEXQXGBH-PUYPPJJSSA-N 264.325 0.721 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@](C)(N)C(C)(C)O 2121849238 RIGFBYHAAOBFQS-AWEZNQCLSA-N 266.341 0.839 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H](CO)C1CCOCC1 1634334653 CIGKLFOIHSNVOL-LBPRGKRZSA-N 295.335 0.544 10 10 CCCE O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H](O)c1cnc[nH]1 1638147338 CTEICGBLLNKFTI-QDOCKXBDSA-N 289.291 0.684 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CC2(CC[C@@H]2O)C1 2123113886 GDXXRMLYZHNOHG-LBPRGKRZSA-N 263.293 0.624 10 10 CCCE CCn1cc(C(=O)NCc2c(O)cccc2O)nn1 1647290036 MQCZBIUHWJVWMJ-UHFFFAOYSA-N 262.269 0.639 10 10 CCCE CS(=O)(=O)CCCC(=O)NCc1c(O)cccc1O 1645361051 VBUMJVKUNXOHIO-UHFFFAOYSA-N 287.337 0.539 10 10 CCCE CC(C)[C@H]1CNC(=O)CN1Cc1cc(N)ccc1O 2124760723 BOKUXQGEGGABSG-GFCCVEGCSA-N 263.341 0.931 10 10 CCCE Cc1cc(CN)ccc1N1C[C@@H]2C[C@H](C1)[C@@H](O)[C@@H]2O 2126150921 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CN[C@@H](C)c1ccc(N2CC(CO)(CO)C2)cc1 1915006122 MLOBKKYLTXCYAB-NSHDSACASA-N 250.342 0.758 10 10 CCCE CNCc1ccc(N2CC[C@H](O)[C@H](O)C2)cc1OC 2139696581 JEILDULORSHJPI-QWHCGFSZSA-N 266.341 0.347 10 10 CCCE COc1ccc(CN(C)[C@H]2CCNC2=O)c(O)c1 1916797385 DMJAAXWEWJXWJR-NSHDSACASA-N 250.298 0.721 10 10 CCCE CCOC(=O)[C@@H](N)C(=O)N(C)[C@H](C)c1ccccc1O 224032078 FLTLAOQFTOPNKM-SKDRFNHKSA-N 280.324 0.802 10 10 CCCE CN(C)C[C@](C)(O)CNC(=O)Cc1ccc(N)cc1 227870715 AOBHIMKDDREDGU-CQSZACIVSA-N 265.357 0.240 10 10 CCCE CN1CC[C@H](CNCc2cc3c(cc2O)OCO3)C1=O 1967742616 IISKVMQVRFWZFA-SECBINFHSA-N 278.308 0.689 10 10 CCCE C[C@H]1C(=O)NC(=O)N(CCc2ccc(O)c(O)c2)C1=O 2148011214 XPGVRSGMFVDSGG-ZETCQYMHSA-N 278.264 0.355 10 10 CCCE CCOC(=O)[C@H](C[C@H](N)Cc1ccc(O)c(O)c1)OC 1951991686 BCZXIPKSROAXNN-MFKMUULPSA-N 283.324 0.936 10 10 CCCE Nc1ccc(OCCC(=O)Nc2nccnn2)cc1 162946744 HKVLRHXEPBWQTI-UHFFFAOYSA-N 259.269 0.861 10 10 CCCE NC(=O)[C@H]1CCCCN1C(=O)COc1ccc(N)cc1 40320952 BPXQIIVZZNNISU-GFCCVEGCSA-N 277.324 0.514 10 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CN(Cc1ncn(C)n1)c1ccc(CO)cc1[N+](=O)[O-] 2178350772 CFTGHCJVPAJRKZ-UHFFFAOYSA-N 277.284 0.852 10 10 CCCE NC(=O)c1cccc(N)c1N[C@H]1CCNCC[C@@H]1CO 2191698825 WNZTYWQTLHLZCH-SKDRFNHKSA-N 278.356 0.140 10 10 CCCE Nc1ccc(CCC(=O)N2CCN[C@H]3COC[C@H]32)cc1 2191897769 FTPZEMZYHNSHFI-UONOGXRCSA-N 275.352 0.401 10 10 CCCE CN(C(=O)CN1C[C@@H]2[C@H](CO)[C@@H]2C1)c1ccc(N)cc1 2182066837 SWURVMKVKFKINT-BTTYYORXSA-N 275.352 0.402 10 10 CCCE O=[N+]([O-])c1cc(N2CCO[C@H]3COC[C@@H]32)ccc1CO 2192647157 JOAHBCQEWVGJMP-STQMWFEESA-N 280.280 0.691 10 10 CCCE NC[C@@H]1CC2(CC2)CN1C(=O)c1cc(O)c(O)c(O)c1 2188910931 YMUOGWVQSMUTRL-VIFPVBQESA-N 278.308 0.757 10 10 CCCE NCC1CC(F)(CNC(=O)c2cc(O)c(O)c(O)c2)C1 2188908357 BVBPWYCUWWGZAS-UHFFFAOYSA-N 284.287 0.610 10 10 CCCE COC(=O)[C@H](NCCCO)c1c(O)cccc1F 2042598703 CMFTXXKHBVVKMF-LLVKDONJSA-N 257.261 0.717 10 10 CCCE CO[C@H]1COC[C@H]1Nc1c(N)cccc1C(=O)O 2057169005 LBKVIQGHSNRFJK-ZJUUUORDSA-N 252.270 0.793 10 10 CCCE CO[C@H]1COC[C@@H]1N(C)Cc1cc(N)ccc1O 2057144313 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O=C(c1cc(O)nc(O)c1)N1[C@H]2CC[C@H]1[C@@H](F)[C@@H](O)C2 2190681717 FOVPBFRKMRCGFF-PHGLEFOZSA-N 282.271 0.569 10 10 CCCE C[C@@H]1CCN(c2cc3c(cc2N)OCC(=O)N3)C[C@H]1N 2191592747 LIUWXQAHIYZURD-PSASIEDQSA-N 276.340 0.773 10 10 CCCE Nc1ccc(OCCC(=O)NC[C@@]23CNC[C@@H]2C3)cc1 2191675500 DYLRMCHSYWDZCW-XHDPSFHLSA-N 275.352 0.763 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CCCC[C@@H](O)C1 2050141663 LOYZISUAEVSHBT-SECBINFHSA-N 252.270 0.480 10 10 CCCE [N-]=[N+]=NCCCCN1CCNCCNC(=O)CC1 2054259803 YUADXMPRPIQXRY-UHFFFAOYSA-N 254.338 0.488 10 10 CCCE Nc1ccc(O)c(CN2CCC[C@H]2[C@@H](O)CO)c1 2059281427 YKQKJUCWFZQBPW-AAEUAGOBSA-N 252.314 0.292 10 10 CCCE C[C@@H](NC[C@@H]1CNC(=O)O1)c1ccc(O)cc1O 2066428250 JBJPFMUNSXCZHK-VXNVDRBHSA-N 252.270 0.857 10 10 CCCE CC1(C)C[C@@H](O)[C@@H](O)CN1c1ccc(CO)cc1 2068419281 CNKOYUBJIAOORX-OLZOCXBDSA-N 251.326 0.889 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CCO[C@H]2C[C@H]21 2068615913 UTMYITRTTGDNMM-XCBNKYQSSA-N 251.238 0.417 10 10 CCCE CNC[C@@H](C)N(C)C(=O)COc1ccc(N)cc1 2071674643 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CN[C@@H]1C[C@H](C)N(C(=O)Cc2ccc(O)c(O)c2)C1 2088863843 CPUQPVLNVVYLFW-GXSJLCMTSA-N 264.325 0.849 10 10 CCCE NC(=O)C1(NCc2ccc(O)c(O)c2O)CCCC1 2098246633 ODIMEOTXJGBMEQ-UHFFFAOYSA-N 266.297 0.691 10 10 CCCE NCC[C@@H]1CC[C@H](NC(=O)c2cc(O)nc(O)c2)C1 2098510506 NQOJIZBFIVBQGP-WPRPVWTQSA-N 265.313 0.740 10 10 CCCE O=C1CC[C@@H](CCNC(=O)c2cc(O)nc(O)c2)C1 2098553885 DABWPXKVNACHKR-QMMMGPOBSA-N 264.281 0.982 10 10 CCCE CN([C@H]1CCc2cccc(O)c21)[C@@H]1CC(=O)NC1=O 2114732023 JJCMMHQOLJGKNU-VHSXEESVSA-N 260.293 0.726 10 10 CCCE OC[C@H](O)[C@H]1CCN1c1ccc2c(c1)OC(F)(F)O2 2270711717 XNSLIFJWZIKKTO-BDAKNGLRSA-N 273.235 0.940 10 10 CCCE CS(=O)(=O)[C@H](CNC(=O)c1ccc(O)c(O)c1)C1CC1 2232816014 FDQBOKGEONANOB-GFCCVEGCSA-N 299.348 0.651 10 10 CCCE O=C(CN1CC[C@@H]2[C@@H](O)C[C@@H]2C1)c1ccc(O)c(O)c1 2232876591 XFFKPWOSIDBCCS-MDZLAQPJSA-N 277.320 0.983 10 10 CCCE Nc1cccc(C(=O)O)c1N[C@H]1CCn2cnnc2C1 2236556111 KHLWJNSEGDXWEN-QMMMGPOBSA-N 273.296 0.985 10 10 CCCE CC1(C)CN(C(=O)c2cc(O)nc(O)c2)C[C@@H]1CCO 2238445198 XIOOUFQXXHUATN-JTQLQIEISA-N 280.324 0.973 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)[C@]23CCCO[C@H]2CNC3)C1 2228730773 OCOKVBUDUDCNMD-WRZDFSGXSA-N 266.341 0.021 10 10 CCCE Cc1cc([C@H](C)O)ccc1N1CC[C@](O)(CO)[C@H](O)C1 2240833108 KRQLPQHKVNQQEW-GLQYFDAESA-N 281.352 0.343 10 10 CCCE C[C@H](N)c1ccc(N2CC3(CNC(=O)CO3)C2)cc1 2274016892 ZALJUDJKTQFHIH-JTQLQIEISA-N 261.325 0.412 10 10 CCCE O=C(O)[C@@]12CCO[C@H]1CN(Cc1ccc(O)c(O)c1)C2 2296381928 YRLLZMPDDPELCO-GXTWGEPZSA-N 279.292 0.773 10 10 CCCE CCOC(=O)[C@@]1(NCCCN=[N+]=[N-])COC2(COC2)C1 2286284811 OPUDQAKBCWHMGP-LBPRGKRZSA-N 284.316 0.768 10 10 CCCE CN1C(=O)C(=CNc2ccccc2)C(=O)NC1=S 2297365101 NGPWSYXFUJMPEL-UHFFFAOYSA-N 261.306 0.856 10 10 CCCE Cc1cc(CN)ccc1N1C[C@@H]2C[C@H]1[C@@H](O)[C@H](O)C2 2330371768 XZYADORTIVXNPT-FAAHXZRKSA-N 262.353 0.774 10 10 CCCE CC[C@@H](N)c1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CF)cc1 2333238475 ZYRBXCRPIGLDDW-RQJABVFESA-N 268.332 0.976 10 10 CCCE COc1ccc(N2C[C@@H]3C[C@H]2[C@@H](O)[C@H]3O)c(CO)c1 2333717956 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C[C@H](N)c1ccc(N2C[C@H]3OCC[C@@]3(CO)C2)cc1O 2296351357 XLRMZPJXZNFZMJ-VQISRLSMSA-N 278.352 1.000 10 10 CCCE CCN1C(=O)C(=CNCc2ccco2)C(=O)NC1=S 2297365811 RQVXZSLJYOHDQU-UHFFFAOYSA-N 279.321 0.516 10 10 CCCE CC(C)S(=O)(=O)N(C)Nc1nc(C(=O)O)cs1 2301548082 QOYYHVZVHZMVTR-UHFFFAOYSA-N 279.343 0.838 10 10 CCCE NCc1ccc(N2C[C@@H](O)[C@@H]3COC[C@@H]32)c(Cl)c1 2308658381 BSHCXSXMIOEQOX-JIMOISOXSA-N 268.744 0.995 10 10 CCCE CCCNC(=O)NC(=O)CN(CC)CCN=[N+]=[N-] 2315989690 SXPHMMUYTIFULL-UHFFFAOYSA-N 256.310 0.854 10 10 CCCE C[C@@H](c1ccc(O)cc1O)N1CC[C@@H](N)[C@H](CO)C1 2331004814 MODWYEZAQPYLFC-OUJBWJOFSA-N 266.341 0.800 10 10 CCCE Cc1cc(NS(=O)(=O)CCOCCN)cc(C)c1O 2340884068 VLTRVKSBBBWICD-UHFFFAOYSA-N 288.369 0.726 10 10 CCCE C[C@]1(O)C[C@@H]2C[C@H]1C[C@H]2NC(=O)c1cc(O)nc(O)c1 2355708316 ZLEGXLVJMMVFDH-RZGXBDKHSA-N 278.308 0.772 10 10 CCCE COCCOCC(=O)NCCc1cc(O)c(O)cc1C 170214277 WWACFQUKEHJMBA-UHFFFAOYSA-N 283.324 0.728 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@H]2C[C@H]3CNC[C@@H]2C3)cc1 2357173941 GOKJUTWEPRNXGK-SGMGOOAPSA-N 295.408 0.686 10 10 CCCE NC[C@H](O)c1c(Br)cc(F)c(O)c1O 213346467 SNSPLVRASWFHPB-YFKPBYRVSA-N 266.066 0.992 10 10 CCCE COC[C@@H](O)CNCc1ccc2c(c1)CCN2C 71264262 GCMRHEGRJSHTME-ZDUSSCGKSA-N 250.342 0.776 10 10 CCCE Cc1[nH]ncc1C(=O)N(CC(N)=O)Cc1ccc(N)cc1 80039310 ZGJMEFSZYMXMKW-UHFFFAOYSA-N 287.323 0.428 10 10 CCCE CN1C[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)CCC1=O 272499054 SONIJUVNIWYXFI-GQOHGMTASA-N 290.319 0.848 10 10 CCCE CO[C@H]1C[C@H](OC)CN(C(=O)c2cccc(O)c2O)C1 2165507015 LZDPVKYEMGTHNF-UWVGGRQHSA-N 281.308 0.974 10 10 CCCE NC(=O)[C@H]1CCN(c2cc3c(cc2Cl)[C@@H](N)C(=O)N3)C1 723175702 JCEKCLSXXOLFTB-UPONEAKYSA-N 294.742 0.604 10 10 CCCE CN(C)c1ccc([C@]2(N)CS(=O)(=O)N(C)C2(C)C)cc1 2163062346 LVKDGBTYEKVTDV-CQSZACIVSA-N 297.424 0.960 10 10 CCCE C[C@H]1CN(C(=O)Cc2ccc(N)cc2)[C@@H](C(=O)O)CO1 2165817269 CWLCBJONANLEDF-JOYOIKCWSA-N 278.308 0.512 10 10 CCCE CCCCN(CC(N)=O)c1ccc2c(c1)NC(=O)[C@H]2N 723195394 KMMOBCJPDANNAC-ZDUSSCGKSA-N 276.340 0.730 10 10 CCCE O=C(c1cc(O)cs1)N1C[C@@H]2C[C@H]1C[S@@]2=O 846664603 KOAGMSMQPFVNMG-XYPZUWDLSA-N 257.336 0.799 10 10 CCCE CN(C)c1ccc([C@H](Cc2nncn2C)NN)cc1 690766901 PNNBKPCZBLICQA-LBPRGKRZSA-N 260.345 0.628 10 10 CCCE COC(=O)[C@@H](C)CS(=O)(=O)N1Cc2cccc(O)c2C1 867691277 UPMRFIXVBAAJME-VIFPVBQESA-N 299.348 0.847 10 10 CCCE NC[C@H]1CCN1S(=O)(=O)CCOc1ccc(N)cc1 1876538091 DZNSLIAGQSVRGU-LLVKDONJSA-N 285.369 0.010 10 10 CCCE O=C(O)[C@@H](F)C1(O)CN(Cc2c(O)cccc2F)C1 1875538397 KMTKWRVZAHBTRF-SNVBAGLBSA-N 273.235 0.501 10 10 CCCE NC(=O)[C@@H]1CC[C@H](C(=O)NCCc2ccc(O)c(O)c2)C1 1137464660 JWXORVGSXBHYJX-MNOVXSKESA-N 292.335 0.658 10 10 CCCE NC[C@H]1CCC[C@@H](C(=O)NCc2ccccc2O)O1 1879400351 LRPTYMZEPFRVKG-YPMHNXCESA-N 264.325 0.905 10 10 CCCE COC1=C(C(=O)O)NC(=S)N[C@@H]1c1ccccc1O 76259986 LRCWNBXTQFVGQT-MRVPVSSYSA-N 280.305 0.854 10 10 CCCE CN(Cc1ccc(O)c(O)c1)[C@@H]1COC[C@@H]1C(=O)O 90428638 ZMDINFBKBSMMHB-VHSXEESVSA-N 267.281 0.629 10 10 CCCE COC(=O)[C@@H](O)CCNCc1ccc(OC)cc1O 83513193 WMAARULHNHVOIT-NSHDSACASA-N 269.297 0.414 10 10 CCCE CN(C)C(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 40558972 IVTFZZJWSIXVDU-MRVPVSSYSA-N 268.269 0.365 10 10 CCCE O=C(NC[C@@H]1C[C@@H](C(=O)O)CO1)c1cccc(O)c1O 713919606 MNNHJQURIPUZOX-SFYZADRCSA-N 281.264 0.317 10 10 CCCE Nc1ccc(CC(=O)N2CC[C@@H](c3nn[nH]n3)C2)cc1 720643873 GWCCMVOTRIRXHI-SNVBAGLBSA-N 272.312 0.341 10 10 CCCE CN[C@@H](C)c1ccc(N2CCN(CCO)CC2)cc1O 93670549 PQXBXIDANMZTFC-LBPRGKRZSA-N 279.384 0.787 10 10 CCCE CSc1ncc(CN[C@H](C)C(=O)NC(N)=O)s1 2248642076 MQJFCRAUJDKRNN-RXMQYKEDSA-N 274.371 0.538 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CC(O)(C(F)F)C3)ccc21 2115482550 QTAUSMCNBYATQT-VIFPVBQESA-N 269.251 0.455 10 10 CCCE CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1nc[nH]n1 1297562102 BDCBTMVBNZGDGX-UHFFFAOYSA-N 281.312 0.855 10 10 CCCE NC(=O)[C@@H]1OCC[C@@H]1N[C@H]1CCc2cccc(O)c21 2117462114 DZDSBKHAGSJJBO-OUJBWJOFSA-N 262.309 0.612 10 10 CCCE C[C@@H](O)[C@H]1CN(C(=O)c2ccc(O)c(O)c2)CCO1 2117533264 WVMRWIANWBFYOC-PRHODGIISA-N 267.281 0.320 10 10 CCCE C[C@@H](NC(=O)C1(S(N)(=O)=O)CC1)c1ccccc1O 1557966641 LMEMXLQWKLLJLE-MRVPVSSYSA-N 284.337 0.391 10 10 CCCE Cn1cnc(CNC(=O)c2c(F)ccc(O)c2O)c1 1651262472 BIEZHOYEEUCSRU-UHFFFAOYSA-N 265.244 0.900 10 10 CCCE Oc1cc2c(cc1CN1CCOCCOCC1)OCO2 1965495190 KGAAPTZQYVYEPU-UHFFFAOYSA-N 281.308 0.970 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H]2C[C@@H](O)[C@H]2C1 2132348530 NSLLFSHRPJEHTQ-XHNCKOQMSA-N 265.265 0.256 10 10 CCCE N[C@H]1CCCc2cc(N3C[C@@H](O)[C@H](CO)C3)ccc21 2128273489 WSEBHHFBICQWGU-TUKIKUTGSA-N 262.353 0.812 10 10 CCCE COCCCNC(=O)c1nnn(-c2ccc(N)cc2)n1 1857878467 CSZZSEGXMLOOKX-UHFFFAOYSA-N 276.300 0.011 10 10 CCCE CO[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)C[C@@H]1F 2132414530 XWPSLUATHXRUHP-OIBJUYFYSA-N 271.244 0.612 10 10 CCCE CCNC(=O)NC(=O)CN1CCC[C@@H](N=[N+]=[N-])C1 1912182805 HCGQROMPLDULHL-MRVPVSSYSA-N 254.294 0.607 10 10 CCCE [N-]=[N+]=NCC1CCN(C(=O)[C@H]2CNC(=O)C2)CC1 1912204849 YRNBDQYCIDFRDL-SECBINFHSA-N 251.290 0.671 10 10 CCCE NC(=O)N1CC(NCc2ccc3c(c2)CCCO3)C1 1917758857 KZEOOHAGNBNJSY-UHFFFAOYSA-N 261.325 0.864 10 10 CCCE Cn1ccc(=O)n(CCCOc2ccc(N)cc2)c1=O 111545696 WTVZOTFOVGOCRL-UHFFFAOYSA-N 275.308 0.598 10 10 CCCE CN1CCN(CCc2ccc(N)cc2)[C@H](CCO)C1 2138085247 UUOJQOLRJNMMPV-OAHLLOKOSA-N 263.385 0.810 10 10 CCCE C[C@@]1(CNC(=O)Nc2ccc(N)cc2)CCNC1=O 2136062370 RCHDNAYGKCZUMH-ZDUSSCGKSA-N 262.313 0.917 10 10 CCCE O[C@H]1CN(c2ccc3c(c2)CC[C@H]3O)[C@H](CF)[C@@H]1O 2140655325 RVNZFTIZHUOUGJ-MQYQWHSLSA-N 267.300 0.546 10 10 CCCE COCc1nc(CNC(=O)Cc2ccc(N)cc2)no1 2145588451 WVIRAYBCOWJKTM-UHFFFAOYSA-N 276.296 0.657 10 10 CCCE CN1CCSC[C@@H]1[C@H](NN)c1ccccc1O 1942389988 FLAAHCIJIOZMDM-ZYHUDNBSSA-N 253.371 0.944 10 10 CCCE CC[C@H](C(=O)O)N(C)C(=O)Cc1ccc(O)c(O)c1 1971308198 JYHWPVDYJQUFMZ-SECBINFHSA-N 267.281 0.962 10 10 CCCE CCNCc1ccc(N2C[C@]3(CO)C[C@]3(CO)C2)cc1 2146315132 YQTPXZSYUFFSRH-IYBDPMFKSA-N 276.380 0.977 10 10 CCCE CN1CCc2cc([C@H](O)C(=O)c3cnn(C)n3)ccc21 2147114520 CQIBWEOZPLSDBG-ZDUSSCGKSA-N 272.308 0.724 10 10 CCCE C[C@H]1CN(C(=O)COc2ccc(N)cc2)CC[C@H]1O 165929761 BEFGESOLFPAEIM-GXFFZTMASA-N 264.325 0.877 10 10 CCCE CS(=O)(=O)[C@@H]1CNC[C@@H]1Nc1ccc(N)cc1 2017558916 UYYFQAWYHFHNPE-WDEREUQCSA-N 255.343 0.066 10 10 CCCE CN(CC(CO)CO)c1ccc(CN)c(F)c1F 2033030536 UUBRXOOIAGWURF-UHFFFAOYSA-N 260.284 0.461 10 10 CCCE Cn1cnc(CCNC(=O)c2ccc(O)c(O)c2)c1 313484665 SEUJUMQDFOKOCJ-UHFFFAOYSA-N 261.281 0.804 10 10 CCCE Nc1ccc(OCC(=O)N[C@H]2CCC[C@@H]2O)cc1 323792934 DCSJKECZPLTGRK-RYUDHWBXSA-N 250.298 0.677 10 10 CCCE Nc1ccc(OCCN2CC3(C2)OCCC[C@@H]3O)cc1 2159650817 PBLMZTCRLASRES-AWEZNQCLSA-N 278.352 0.873 10 10 CCCE C[C@H](O)CN(C[C@@H](C)O)c1cc2c(cc1N)OCCO2 2159725538 LZZUBMQISHETEI-AOOOYVTPSA-N 282.340 0.608 10 10 CCCE O=C1NC(=O)[C@@]2(CCN(c3ccc(CO)cc3Cl)C2)N1 2170606215 ACLRYGOPKBBHFN-ZDUSSCGKSA-N 295.726 0.621 10 10 CCCE CN(C(=O)CN1CCCOCC1=O)c1ccc(N)cc1 688079593 RTTABQIMPGCBFR-UHFFFAOYSA-N 277.324 0.481 10 10 CCCE CN1C(=O)[C@@H](O)c2ccc(N3CC=CC[C@@H]3CO)cc21 2176377418 HEEJCDWTDBRTFB-RISCZKNCSA-N 274.320 0.824 10 10 CCCE CN(C)c1ccc(CNC(=O)Cn2cc(N)cn2)cc1 698770825 KBXGRFPNEBNPLX-UHFFFAOYSA-N 273.340 0.848 10 10 CCCE CN(C)c1ccc(CN(C)S(=O)(=O)CCCN)cc1 722229993 DVUPDYSBRLXBRY-UHFFFAOYSA-N 285.413 0.863 10 10 CCCE CN1C[C@H](CNCc2ccc(O)c(O)c2)CC1=O 723571152 PSBJMWURQWVAQX-JTQLQIEISA-N 250.298 0.666 10 10 CCCE C[C@@H]1CC[C@@H](O)CN1c1ccc2c(c1)NC(=O)[C@@H]2N 399493893 UQDDSGGTDLSDRG-ZDSQKVDBSA-N 261.325 0.988 10 10 CCCE CC[C@@H]1CN(CC(=O)N(C)c2ccc(N)cc2)C[C@H]1O 399885999 HOLUGOPBMSTJHT-BXUZGUMPSA-N 277.368 0.934 10 10 CCCE CO[C@@H](C(=O)NCc1cc(N)ccc1O)[C@H]1CCCO1 2177482745 HXPGDFYZIDJOBX-CHWSQXEVSA-N 280.324 0.785 10 10 CCCE C[C@@H]1COCC(=O)N1CCC(=O)Nc1ccc(N)cc1 2174133054 WAGKMTJXMPXNFN-SNVBAGLBSA-N 277.324 0.845 10 10 CCCE Nc1ccc(O)c(CN2C[C@H](O)C3(CCOCC3)C2)c1 2174377007 PKMPNNRBWMZZPD-AWEZNQCLSA-N 278.352 0.948 10 10 CCCE COC(=O)[C@H](O)CNCc1ccc(N(C)C)cc1 1252442055 PSQMKMJRADEOPX-GFCCVEGCSA-N 252.314 0.376 10 10 CCCE C[C@@H](O)c1cc(F)c(N2CCOC[C@@H]2C(N)=O)c(F)c1 2194516151 HXBHKBZGJAOBTQ-RDDDGLTNSA-N 286.278 0.709 10 10 CCCE CN1CC[C@@H](N(C)C(=O)Cc2ccc(N)cc2)CC1=O 2188484791 LPKGPUGIODGQMN-CYBMUJFWSA-N 275.352 0.891 10 10 CCCE COCCN(C)C1CN(C(=O)Cc2ccc(N)cc2)C1 2192542320 CLSVTEOKZJETBH-UHFFFAOYSA-N 277.368 0.600 10 10 CCCE CNC(=O)[C@H]1CCCN1c1ccc(CO)c([N+](=O)[O-])c1 2188572348 QCGKVLIJCGFUBP-LLVKDONJSA-N 279.296 0.802 10 10 CCCE CN1CCC[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)C1=O 2188876071 XJTPYTNQISBXIP-MRVPVSSYSA-N 280.280 0.154 10 10 CCCE CN(C)C(=O)OCCNC(=O)c1cc(O)c(O)c(O)c1 2188874411 HDPMGJORSZGOOW-UHFFFAOYSA-N 284.268 0.231 10 10 CCCE CC1(C)CNC(=O)CN1C(=O)c1cc(O)c(O)c(O)c1 2188917527 XRWBQODTIXNOLM-UHFFFAOYSA-N 280.280 0.154 10 10 CCCE Nc1cccc(F)c1N[C@@H]1C[C@H]2C[C@H]1[C@H](O)[C@H]2O 2047618587 GSOZSXUJVZZWRT-LZNLXEJNSA-N 252.289 0.950 10 10 CCCE O[C@H]1[C@H]2C[C@@H](CN(c3ccc4c(c3)CC[C@H]4O)C2)[C@@H]1O 2184732275 SBEOQEJPSASHRV-XCVBADHISA-N 275.348 0.844 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)[C@@H]2C[C@H]3CCC[C@@H]3N2)C1 2049782069 DCEDDVNYWASTLW-JCIQBVFBSA-N 250.342 0.783 10 10 CCCE Cc1cccc(O)c1CN(C)C1(C(=O)O)COC1 2052925616 OZHIUJILAOLSQY-UHFFFAOYSA-N 251.282 0.986 10 10 CCCE Cc1cc(CO)ccc1N1C[C@H](O)[C@@H](O)C1(C)C 2060873305 ARTQHUBBAONGHS-QWHCGFSZSA-N 251.326 0.808 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CCO[C@@H]2C[C@H]21 2068615911 UTMYITRTTGDNMM-GMSGAONNSA-N 251.238 0.417 10 10 CCCE CN(C)C[C@H](CO)NC(=O)Nc1ccc(N)cc1 2071564462 YSFRIJUOVCEJFF-LLVKDONJSA-N 252.318 0.313 10 10 CCCE COC(=O)CN(CC(=O)OC)c1ccc(OC)cc1N 2191439276 WUYAKIJZKFBYKN-UHFFFAOYSA-N 282.296 0.430 10 10 CCCE C[C@H](O)c1cc(F)c(N2CCNC(=O)C2)c(F)c1 2074080587 IJOJJCRCCOUJQS-ZETCQYMHSA-N 256.252 0.954 10 10 CCCE Nc1ccc(OCC(=O)N2C[C@@H]3CNCC[C@H]3C2)cc1 2191651855 LAYQJIIFVUCUDS-RYUDHWBXSA-N 275.352 0.716 10 10 CCCE C[C@]1(O)CCN(c2ccc(CN)cc2F)C[C@H]1O 2077302574 RNNATEBFRPPTMK-OLZOCXBDSA-N 254.305 0.606 10 10 CCCE O=C(N[C@@H]1CSCCC1=O)c1cccc(O)c1O 2077585961 LYOPVRZIKBXYFX-MRVPVSSYSA-N 267.306 0.902 10 10 CCCE CN(Cc1cnnn1C)C(=O)Cc1ccc(N)cc1 2100243910 MBOBVUKUGXDISS-UHFFFAOYSA-N 259.313 0.598 10 10 CCCE COC[C@](O)(CO)CN[C@@H](C)c1ccc(C)cc1O 2102399214 LJJRPAMRNAHVQV-SMDDNHRTSA-N 269.341 0.721 10 10 CCCE COC[C@@](O)(CO)CN[C@H](C)c1cc(O)ccc1O 2102398260 AZOVVHMDVADYPU-RNCFNFMXSA-N 271.313 0.118 10 10 CCCE C[C@H](N)c1ccc(N2CC[C@H](N3CC(O)C3)C2)cc1 2102520673 SFJQMVBGKISRNM-FZMZJTMJSA-N 261.369 0.962 10 10 CCCE COC(=O)[C@@](C)(Cc1cnn(C)c1)NCCN=[N+]=[N-] 2103581691 DROBQAIKIMJYQR-LLVKDONJSA-N 266.305 0.794 10 10 CCCE Cc1cccc(CNC(=O)[C@H](C)S(C)(=O)=O)c1O 2084056654 KLJPLOKYKFNIJT-VIFPVBQESA-N 271.338 0.750 10 10 CCCE O=S(=O)(NCCc1ccc(O)c(O)c1)c1cc[nH]n1 2091750904 IHSWROZHFYGVHN-UHFFFAOYSA-N 283.309 0.342 10 10 CCCE Cc1sc(CCN)nc1C(=O)C(=O)C[C@H]1C[C@H](N)C1 2112561833 JROYBKNBTBJXPW-KYZUINATSA-N 281.381 0.832 10 10 CCCE NCc1ccc(CC(=O)C(=O)C[C@H]2C[C@H](N)C2)cc1 2112565420 RHIGPLBCVSHGFC-JOCQHMNTSA-N 260.337 0.953 10 10 CCCE COc1cc(N2CC[C@@](CO)(CCO)C2)ccc1CN 2204546636 BJNOGYXLAKFUGY-OAHLLOKOSA-N 280.368 0.725 10 10 CCCE Cc1ccc(CN2CCS(=O)(=O)CC23CNC3)c(O)c1 2204637273 CAOFWXGRKUFLAB-UHFFFAOYSA-N 296.392 0.273 10 10 CCCE N[C@@H]1[C@H](NC(=O)c2ccc(O)c(O)c2)COC12CCC2 2206480574 UPLQBBHGYFVYKC-BXKDBHETSA-N 278.308 0.476 10 10 CCCE CCN(CC(N)=O)c1ccc(OC)cc1CNC 2220418208 WXJPKPNHGPLSQE-UHFFFAOYSA-N 251.330 0.726 10 10 CCCE COc1ccc(N2CCC(O)(C(N)=O)CC2)cc1F 2226793594 NRKATNFUPDCKMZ-UHFFFAOYSA-N 268.288 0.651 10 10 CCCE O[C@@H]1[C@H]2CCN(c3ccc4c(c3)CCO4)[C@@H](C2)[C@H]1O 2226754089 DEQDRMIAROZFBN-OBCWZRDOSA-N 261.321 0.942 10 10 CCCE CCN[C@H](C)c1ccc(N2CC(O)(C(N)=O)C2)c(C)c1 2240835546 CUIHRBBPJCRDCO-LLVKDONJSA-N 277.368 0.702 10 10 CCCE CC[C@@H]1[C@H](O)CCN1C(=O)c1cc(O)nc(O)c1 2260374501 WJGHIBHGQZBMQX-RKDXNWHRSA-N 252.270 0.478 10 10 CCCE CN(C(=O)COc1ccc(N)cc1)[C@H]1CNCC12CC2 2287016798 OIAMXCYBUPWMCW-ZDUSSCGKSA-N 275.352 0.858 10 10 CCCE COc1cc(Cl)cc(CNN(C)S(C)(=O)=O)c1O 2317437767 NPJONLAYORHGKO-UHFFFAOYSA-N 294.760 0.950 10 10 CCCE O=C(O)C[C@H]1C[C@H]1CNC(=O)c1cc(O)nc(O)c1 2335883873 NIJCCAIPJRTTFF-SVRRBLITSA-N 266.253 0.333 10 10 CCCE O=C(c1cc(O)cs1)N1C[C@H](CO)[C@@H](CCO)C1 1353371885 YYFVRILXWCRNNK-DTWKUNHWSA-N 271.338 0.517 10 10 CCCE O=C(O)C[C@@H]1COCCN1Cc1ccc(O)cc1O 128741396 UWZNLDMTMCJXOK-SNVBAGLBSA-N 267.281 0.773 10 10 CCCE CN(C)C[C@@](C)(O)CNCc1ccc(O)c(O)c1 226761245 GPKAZVDIYVWAOZ-ZDUSSCGKSA-N 254.330 0.500 10 10 CCCE N[C@H]1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)C1 381359199 NZDJQGXSILEWAE-CBAPKCEASA-N 251.286 0.350 10 10 CCCE Cc1ccc(O)c([C@H](C)N2CCNC[C@@H]2C(N)=O)c1 88659330 NLTFKUFQBSMMQK-CMPLNLGQSA-N 263.341 0.521 10 10 CCCE COc1ccc(N2CCN(CC(C)(CO)CO)CC2)cc1 133731605 CRPCKKUCBFIQDE-UHFFFAOYSA-N 294.395 0.808 10 10 CCCE CCN1CCN(C(=O)c2ccc(O)c(O)c2)CC1 226950559 JYMUNDBFHNPXSG-UHFFFAOYSA-N 250.298 0.876 10 10 CCCE CN(C)C[C@H]1C[C@@H](O)CN1C(=O)COc1ccc(N)cc1 97244625 CPYGACIYAHHLSC-CHWSQXEVSA-N 293.367 0.171 10 10 CCCE COc1ccc(N2CC[C@H](O)[C@@H](C(=O)O)C2)cc1OC 606606833 QVXOEDXYLRTAGB-QWRGUYRKSA-N 281.308 0.976 10 10 CCCE CC[C@@]1(C2CC2)NC(=O)N(CC(=O)C(C)=O)C1=O 808032030 RHXKNKJSYRROBQ-LBPRGKRZSA-N 252.270 0.255 10 10 CCCE CCN[C@@H](C)c1ccc(N2CC(NC(N)=O)C2)cc1O 2163216058 JLHWNENXFUNNKH-VIFPVBQESA-N 278.356 0.920 10 10 CCCE C[C@H](C(=O)N(C)Cc1ccccc1O)N1CC(N)C1 2131772705 ZEGPYNDRDYQQEW-SNVBAGLBSA-N 263.341 0.382 10 10 CCCE C[C@H](CC(=N)NO)NC(=O)c1cc(O)c(O)c(O)c1 2132399122 CMYLHRAPNMEVLR-RXMQYKEDSA-N 269.257 0.268 10 10 CCCE O=C(NCc1ccc2cccnc2c1O)[C@@]1(O)CCOC1 862025180 OCLBCGVMEBCADF-OAHLLOKOSA-N 288.303 0.708 10 10 CCCE COc1cccc(CNC(=O)Cn2ccnc2)c1O 769499302 UUYYDQMKWPKSTC-UHFFFAOYSA-N 261.281 0.914 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CCOCCN1 1556759416 PHACPINPEZSERY-UHFFFAOYSA-N 252.270 0.004 10 10 CCCE Nc1cc2c(cc1N1CCN[C@@H]3C[C@@H]31)NC(=O)CO2 1876215295 KYNAZFWQQJINME-KCJUWKMLSA-N 260.297 0.150 10 10 CCCE N=c1[nH]c(CNC(=O)COc2ccc(N)cc2)cs1 1876525856 RVHNTMGMZRHLSY-UHFFFAOYSA-N 278.337 0.833 10 10 CCCE Nc1ccc(OCCC(=O)N2C[C@H]3C[C@H]2[C@H]3N)cc1 1876492457 YSEDTHFGSAGNCB-LQJRIPTKSA-N 261.325 0.596 10 10 CCCE CC(=O)N[C@@H](CN(C)Cc1ccccc1O)C(=O)O 1877526142 WYHPTKNOQQIRRK-NSHDSACASA-N 266.297 0.413 10 10 CCCE O=C(c1cccc(O)c1O)N1CC[C@H](O)[C@H](F)C1 890692094 SQOKUMOYQGMTHP-BDAKNGLRSA-N 255.245 0.643 10 10 CCCE CC(C)(O)CNC(=O)CCOc1ccc(N)cc1 87008818 DKXYKLQLOCKINR-UHFFFAOYSA-N 252.314 0.925 10 10 CCCE C[C@@H](O)[C@@H](O)CNCc1cc(Br)ccc1O 717376446 ROAXNPQAEDFQSX-HQJQHLMTSA-N 290.157 0.986 10 10 CCCE COCCNCc1ccc(N2C[C@@H](O)C[C@@H]2CO)cc1 698195692 OQJZLQQUVXJTEK-CABCVRRESA-N 280.368 0.355 10 10 CCCE CN1CCN(c2ccc(CN)c(F)c2)[C@H](CO)C1 699478222 LRABDIYUGGGEHU-LBPRGKRZSA-N 253.321 0.397 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3C[C@@H]4CCO[C@H]4C3)ccc21 2115400250 FOFNZCFCWVGINJ-HJIKLVIJSA-N 259.309 0.864 10 10 CCCE Nc1nnc(CC(=O)NCCc2ccc(O)c(O)c2)s1 1622753139 IIDRRTNQBGNYCT-UHFFFAOYSA-N 294.336 0.433 10 10 CCCE O=C1Nc2cc(N3CC4(CC[C@H]4O)C3)ccc2[C@@H]1O 2123106559 RNWPNHHAVWYVGV-NEPJUHHUSA-N 260.293 0.633 10 10 CCCE NC(=O)[C@H]1CC[C@@H]1C(=O)NCc1cc(O)ccc1O 1643881946 LNVMUFLOPRTXTI-UWVGGRQHSA-N 264.281 0.226 10 10 CCCE Nc1ccc(CC(=O)N2C[C@H](N)C[C@@]23CCOC3)cc1 1964451072 TZEXNKZDONGOQC-UKRRQHHQSA-N 275.352 0.530 10 10 CCCE O=C(c1cccc(O)c1O)N1CC(=O)N2CCC[C@@H]2C1 1964940337 ZOALHLLUOCIIBR-SECBINFHSA-N 276.292 0.545 10 10 CCCE Cc1cccc(NC(=O)C[C@H]2C(=O)NN(C)C2=O)c1C 169995997 QWXMKWAENNVZSW-JTQLQIEISA-N 275.308 0.751 10 10 CCCE COC(=O)NS(=O)(=O)Nc1ccc(O)c(F)c1 163232587 LALULKKYIJAJLH-UHFFFAOYSA-N 264.234 0.544 10 10 CCCE O=C(NC1[C@H]2CNC[C@H]1C2)c1cc(O)c(O)c(O)c1 2132409417 FJYPUQQRGKABOW-HTQZYQBOSA-N 264.281 0.141 10 10 CCCE CC(=O)[C@@]1(C)CCN1C(=O)c1cc(O)c(O)c(O)c1 2132413380 MSBMREHHOUUQEQ-CYBMUJFWSA-N 265.265 0.997 10 10 CCCE CN(C[C@H](O)CC(=O)O)c1ccc2c(c1)OCO2 259016515 NXKSFJVLBCGUFN-SECBINFHSA-N 253.254 0.687 10 10 CCCE NC1(CO)CCN(c2ccc3c(c2)OCCO3)CC1 259180603 DJPKIDVALKOQHE-UHFFFAOYSA-N 264.325 0.748 10 10 CCCE NCC[C@@H]1CCCN1C(=O)c1cc(O)c(O)c(O)c1 2132409592 GVCOBKVRNYAFJN-VIFPVBQESA-N 266.297 0.757 10 10 CCCE O=C(N[C@@H]1CCNC[C@H]1F)c1cc(O)c(O)c(O)c1 2132414567 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O=C1C[C@@H](NCc2cccc(Br)c2O)C(=O)N1 1947010107 GUINRMXTUCGJMC-MRVPVSSYSA-N 299.124 0.659 10 10 CCCE O=C(O)[C@H]1C(=O)NCC[C@H]1c1cccc(O)c1O 1952080975 IAPPLSBHGRBFHE-IMTBSYHQSA-N 251.238 0.402 10 10 CCCE CC(C)OC(=O)NS(=O)(=O)NCc1ccc(N)cc1 162771545 HBPRITSKWFPECF-UHFFFAOYSA-N 287.341 0.738 10 10 CCCE CCN(Cc1ccc(N)cc1)c1nc[nH]c(=O)c1N 164537137 FBOMMOOREYEEFE-UHFFFAOYSA-N 259.313 0.961 10 10 CCCE COC[C@@]1(O)CCN(C(=O)CCc2ccc(N)cc2)C1 2151753705 INSKGJQREZOIGS-OAHLLOKOSA-N 278.352 0.811 10 10 CCCE Nc1ccc(CS(=O)(=O)NCCn2cccn2)cc1 49074753 GCRXPMPPUZDZHO-UHFFFAOYSA-N 280.353 0.585 10 10 CCCE CN[C@H](COC)[C@H](O)c1ccc2c(c1)CCN2C 2030701868 MBVZBYMEEDEIFY-TZMCWYRMSA-N 250.342 0.947 10 10 CCCE CN(Cc1ccc(N)cc1)C(=O)COCC(=O)O 2031610235 NISSHNULFWKWAC-UHFFFAOYSA-N 252.270 0.328 10 10 CCCE Nc1ccc(O)c(CN2C[C@H](O)[C@@H]3COC[C@@H]32)c1 2040600057 LUIPYCHEEUKTFW-MDZLAQPJSA-N 250.298 0.166 10 10 CCCE COC(=O)[C@@]1(NCCCN=[N+]=[N-])CN2CC[C@H]1C2 2040803679 UUGIHPOKPGUOPI-GXSJLCMTSA-N 253.306 0.524 10 10 CCCE C[C@@H](C(=O)Nc1ccc(N)cc1)n1cc(C(N)=O)cn1 70329455 SGIIZOKFBGNPSA-QMMMGPOBSA-N 273.296 0.764 10 10 CCCE COc1ccc(N2CCN(CC[C@@H](O)CO)CC2)cc1 312471637 XGZHTWABRNKBDZ-CQSZACIVSA-N 280.368 0.561 10 10 CCCE C[C@](N)(CO)c1nc(-c2ccc(O)c(O)c2)no1 313498890 CBYCDXAPWPVCHJ-NSHDSACASA-N 251.242 0.314 10 10 CCCE C[C@]1(CO)CCN(C(=O)c2cc(O)nc(O)c2)C1 381342759 FTCFIKUUIOCHJM-LBPRGKRZSA-N 252.270 0.337 10 10 CCCE Nc1ccc(CC(=O)NC[C@@H]2CCO[C@H]2C(=O)O)cc1 715519467 REEZZPDHEOYWGG-GXFFZTMASA-N 278.308 0.417 10 10 CCCE Nc1ccc(CS(=O)(=O)NCC2(CO)CCC2)cc1 717690292 JZOANONXIBCESW-UHFFFAOYSA-N 284.381 0.851 10 10 CCCE CN(CC1CS(=O)(=O)C1)c1ccc(CN)cc1 722803414 MOYSJRQEFMYHFH-UHFFFAOYSA-N 254.355 0.626 10 10 CCCE C[C@@H](CN[C@H](C)c1cc(O)ccc1O)S(N)(=O)=O 398271077 AWPXGGBARXRNCJ-JGVFFNPUSA-N 274.342 0.425 10 10 CCCE Cc1cc(O)n2ncc(C(=O)N[C@@H]3CCCOC3)c2n1 2063012407 SHJZEKJVQHBWGH-SECBINFHSA-N 276.296 0.652 10 10 CCCE COC[C@]1(C)COCCN1C(=O)c1cccc(O)c1O 2168249896 YMEZQZDTYKFEEJ-CQSZACIVSA-N 281.308 0.975 10 10 CCCE CN1CCN(CC(=O)Nc2ccc(N)cc2)[C@H]2CC[C@@H]21 2168370655 IDIIBEOCSVMLGX-KBPBESRZSA-N 274.368 0.986 10 10 CCCE CC1(C(=N)NO)CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2188919060 JWNKREAMWMYMGT-UHFFFAOYSA-N 281.268 0.222 10 10 CCCE CC1(NC(=O)c2ccn(-c3ccc(N)cc3)n2)COC1 2189262210 BCTWBHZAPHEHDX-UHFFFAOYSA-N 272.308 0.973 10 10 CCCE C[C@](CO)(NC(=O)c1cc(O)nc(O)c1)C(F)F 2043159474 SXBXYPLFZKXTAB-SNVBAGLBSA-N 262.212 0.239 10 10 CCCE CCN(c1ccc2c(c1)CC[C@H]2N)[C@H]1CC(=O)NC1=O 2184719275 NSUYLMHEXKIOFI-OLZOCXBDSA-N 273.336 0.874 10 10 CCCE COCC[C@](COC)(NCCCN=[N+]=[N-])C(N)=O 2047288361 MJXQSTFFJVBYBA-SNVBAGLBSA-N 259.310 0.183 10 10 CCCE C[C@H](N[C@@H](C(=O)O)C1CS(=O)(=O)C1)c1ccccc1O 2197525797 PFSUSFLSXXLZTR-QPUJVOFHSA-N 299.348 0.541 10 10 CCCE NCc1ccc(N2CCO[C@H](CCO)C2)cc1F 2052689767 TVVDYGLJKFDBCM-GFCCVEGCSA-N 254.305 0.872 10 10 CCCE Cc1cc(CO)ccc1N1CC[C@H]2OCC(=O)N[C@H]2C1 2185523761 YPQDYANDBZAGON-GXTWGEPZSA-N 276.336 0.581 10 10 CCCE [N-]=[N+]=N[C@H]1CCCN(CC(CO)(CO)CO)CC1 2059269838 OPJDLZMIBWCIOP-JTQLQIEISA-N 258.322 0.115 10 10 CCCE C[C@@H](c1ccc(O)cc1O)N1C[C@H](O)C[C@H]1CN 2060808177 UOJKHRAIADGWHT-ATZCPNFKSA-N 252.314 0.553 10 10 CCCE O=C(NCCC(F)(F)CO)c1cc(O)nc(O)c1 2064928495 FZWTZUARQKOETD-UHFFFAOYSA-N 262.212 0.240 10 10 CCCE NCC1(NC(=O)c2cc(O)c(O)c(O)c2)CCC1 2068618467 QZPOLAARPJVHDX-UHFFFAOYSA-N 252.270 0.415 10 10 CCCE COCC[C@@H](CO)NC(=O)Nc1ccc(N)cc1 2071568259 JWXSFCVWTSULIM-NSHDSACASA-N 253.302 0.788 10 10 CCCE C[C@@H](c1c(O)cccc1O)N1C[C@@H]2C[C@H]1CN2C(N)=O 2192234243 OMLFTGKICVDECU-GUBZILKMSA-N 277.324 0.996 10 10 CCCE CC1(C)OC[C@H](NC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1N 2199458212 RMMRWLLFHJORFA-CPCISQLKSA-N 282.296 0.038 10 10 CCCE N[C@@H]1CCc2cc(N3CC[C@H]4C[C@H]3[C@@H](O)[C@H]4O)ccc21 2199530114 BTKLXMNNEBZPCA-XEQQAGFISA-N 274.364 0.953 10 10 CCCE C[C@]1(O)CN(c2ccc(CN)cc2F)CC[C@@H]1O 2081721161 FZBANUNHXZEYIP-STQMWFEESA-N 254.305 0.606 10 10 CCCE CNCc1ccc(N2C[C@H](O)[C@H]3COC[C@@H]32)cc1C 2102180965 MFHOVPVNLHNRTH-KKUMJFAQSA-N 262.353 0.910 10 10 CCCE CN1CCc2cc(CNC[C@](C)(O)CCO)ccc21 2107438708 OVSRMYHTEGLLRU-OAHLLOKOSA-N 264.369 0.902 10 10 CCCE Oc1ccc(CNCCO[C@H]2CCOC2)c(O)c1O 2087522426 YGIZAUJQDFIZPU-JTQLQIEISA-N 269.297 0.699 10 10 CCCE N[C@H]1C[C@H](O)CN(c2ccc3c(c2)OCCCO3)C1 2111797251 FQOISOHKDCENAI-JQWIXIFHSA-N 264.325 0.746 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CC[C@H](C2CNC2)C1 2093491658 CYVYBGWUVBXWNX-JTQLQIEISA-N 262.309 0.779 10 10 CCCE CCCN(c1ccc(N)cc1)[C@H]1CS(=O)(=O)C[C@@H]1O 2099396119 DRMIYIBXXDCGFJ-STQMWFEESA-N 284.381 0.643 10 10 CCCE CO[C@@H]1[C@H](OC)CN[C@@H]1[C@@H](O)c1ccc(N(C)C)cc1 2205463260 PNNRDQYECOBYMY-APIJFGDWSA-N 280.368 0.788 10 10 CCCE COc1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CF)cc1F 2219614224 HPWDOAFKCKMBOR-NHCYSSNCSA-N 259.252 0.714 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CC[C@H]2[C@H](C[C@H]2O)C1 2232790827 OLKFXWWQIZSIAK-KXUCPTDWSA-N 279.292 0.646 10 10 CCCE Cc1cc([C@H](C)N)ccc1N1C[C@H](O)C[C@@H]1CO 2223933666 SEDKSRJNMYVMCA-CYZMBNFOSA-N 250.342 0.947 10 10 CCCE CC(C)Oc1ccc(N2CC3(C2)OC[C@H](O)[C@@H]3O)cc1 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10 10 CCCE CCn1nnc(CN(C)C(=O)c2cccc(O)c2O)n1 2197863758 XIXUSUDCYGALKH-UHFFFAOYSA-N 277.284 0.376 10 10 CCCE [N-]=[N+]=NCCCNC(=O)NC1CCS(=O)(=O)CC1 2077267913 BMXLSNXKKRNZNW-UHFFFAOYSA-N 275.334 0.563 10 10 CCCE COC[C@@](C)(CNC(=O)c1cc(O)c(O)c(O)c1)OC 2198213743 ODDBKMYNWZDISU-CYBMUJFWSA-N 285.296 0.585 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@@H]3CC[C@]3(CO)C2)cc1 2198876996 KNDPSUZVQZHLTQ-GXTWGEPZSA-N 296.392 0.803 10 10 CCCE C[C@H](O)c1ccc(N2C[C@H](O)[C@H]3COC[C@@H]32)cc1O 2102178260 RYAUFPSOGICDSB-FNYBSCSFSA-N 265.309 0.641 10 10 CCCE C[C@H](N)c1ccc(N2C[C@H]3C[C@H]2[C@H](O)[C@H]3O)cc1O 2104424555 NNZCBHNCEFKWBL-UAESNCDCSA-N 264.325 0.342 10 10 CCCE Nc1ccc(OC[C@@H](O)CN2CC=C[C@@H](O)C2)cc1 2108772347 GDHXKTVVPPOPFN-OLZOCXBDSA-N 264.325 0.241 10 10 CCCE C[C@@]12CN(C(=O)c3cc(O)nc(O)c3)C[C@@]1(CO)C2 2109181038 DGJGCQKKIMEXJY-CHWSQXEVSA-N 264.281 0.337 10 10 CCCE O=C(N[C@]12CCCNC[C@@H]1C2)c1cccc(O)c1O 2090777458 SOKGSXAPSBNBQU-XPTSAGLGSA-N 262.309 0.970 10 10 CCCE CN(C)c1ccc([C@@H](O)[C@@H](N)c2ncnn2C)cc1 2092092440 SFRPVKIBHZMXOP-VXGBXAGGSA-N 261.329 0.615 10 10 CCCE Oc1ccc(CNCCN2CC3(COC3)C2)cc1O 2092678011 MERIQIFIACGQRQ-UHFFFAOYSA-N 264.325 0.520 10 10 CCCE Nc1ccc(N2C(=O)[C@@H]3[C@@H]4CC[C@@H](O4)[C@H]3C2=O)cc1 2096931172 CAIMHFMVUOBIKR-WRWGMCAJSA-N 258.277 0.936 10 10 CCCE CC1(C)OC[C@H](NC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1O 2199437010 RAVHDWSUVGQVHV-CPCISQLKSA-N 283.280 0.072 10 10 CCCE COCC1(C(=O)O)CN(Cc2ccc(O)cc2O)C1 2112832810 SBLMCDXZXCEVKV-UHFFFAOYSA-N 267.281 0.631 10 10 CCCE CN1C(=O)[C@@H](O)c2ccc(N3C[C@H]4C[C@H]3[C@@H]4CO)cc21 2203022877 XCLBDIGWLWAFEO-BLJJELEKSA-N 274.320 0.513 10 10 CCCE Nc1ccc(NC(=O)N2[C@H]3CCNC[C@H]2COC3)cc1 2204637769 KMVLBQAVVLWCQZ-STQMWFEESA-N 276.340 0.863 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3Cc4cncnc4C3)ccc21 2206208596 PHRYJDMRIUWCSK-ZDUSSCGKSA-N 267.292 0.949 10 10 CCCE COc1ccc(N2CC(CO)(OC)C2)c(CN)c1 2220410370 XCIPJDWHYJOTIN-UHFFFAOYSA-N 252.314 0.351 10 10 CCCE NCc1ccc(N2C[C@@H]3CCO[C@@]3(CO)C2)cc1F 2231370080 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OCc1ccc(N2C[C@@H]3OCC[C@]3(CO)C2)c(F)c1 2278878234 IVYBDXKMTBKAOA-UONOGXRCSA-N 267.300 0.906 10 10 CCCE CN(C(=O)CN1CC[C@@]2(O)C[C@H]2C1)c1ccc(N)cc1 2279956561 MPSJUWPLXLGNQB-XHDPSFHLSA-N 275.352 0.688 10 10 CCCE NC(=O)[C@H]1CC[C@@H](NCc2ccc(O)c(O)c2O)CC1 2287908650 YZTWAFQVMFENOL-WAAGHKOSSA-N 280.324 0.937 10 10 CCCE COc1cc(OC)c(N(CCO)CCCO)cc1OC 2289332104 RZWKQVAKVNJVRF-UHFFFAOYSA-N 285.340 0.894 10 10 CCCE CS(=O)(=O)[C@@H]1CC[C@@](NCCN=[N+]=[N-])(C(=O)O)C1 2314914268 GQNFXGIUFFVEKW-APPZFPTMSA-N 276.318 0.307 10 10 CCCE CCS(=O)(=O)N(C)Nc1nc(CC(=O)O)c(C)s1 2317495240 LODONSGJOFJPEH-UHFFFAOYSA-N 293.370 0.687 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1C[C@@H]2NCC[C@@H]21 2328958029 DCAYHEBPSPAURC-DCAQKATOSA-N 262.309 0.507 10 10 CCCE Oc1cc2c(cc1O)CN(C[C@@H]1COCCO1)CC2 2341214842 PONLUOHGPKHWNY-GFCCVEGCSA-N 265.309 0.871 10 10 CCCE NCc1c[nH]nc1NC(=O)C1=S=Nc2ccccc21 2352427295 GHKHIJHJBMYKEO-UHFFFAOYSA-N 273.321 0.939 10 10 CCCE COCC[C@@H](N)C(=O)N(C)Cc1ccccc1O 52809038 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255.314 0.795 10 10 CCCE N[C@@H](C(=O)O)c1cc2c(c(Br)c1O)OCO2 258480202 INTVMFIHSALIDO-ZCFIWIBFSA-N 290.069 0.968 10 10 CCCE CCc1nn(C)c(CC)c1CC(=O)OCC(=O)C(C)=O 808540005 NSZKWWCKTCWBNE-UHFFFAOYSA-N 280.324 0.789 10 10 CCCE CN(C)c1ccc(Cn2c(O)c(F)c(O)nc2=O)cc1 2165927129 WCBSJVXUGIRKJG-UHFFFAOYSA-N 279.271 0.908 10 10 CCCE NC(=O)N1CCN(Cc2ccc(F)c(F)c2O)CC1 722180062 FZMJFMGAAWSMLK-UHFFFAOYSA-N 271.267 0.867 10 10 CCCE CNC(=O)C1CN(c2ccc([C@@H](C)NC)c(O)c2)C1 723157862 GBCOADSKACEUSZ-SECBINFHSA-N 263.341 0.855 10 10 CCCE N[C@@H]1CC[C@H](C(=O)O)N(Cc2cc(F)ccc2O)C1 2132273774 NCEALODOJABNJE-GHMZBOCLSA-N 268.288 0.908 10 10 CCCE C[C@@H](O)[C@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1 1295536766 UQQLZFNVHGZDDG-KOLCDFICSA-N 265.309 0.870 10 10 CCCE C/C(=C\CNC(=O)c1cc(O)nc(O)c1)C(=O)O 692513897 MKJGVQLUOGCCNP-QHHAFSJGSA-N 252.226 0.254 10 10 CCCE CSCCNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 69444096 CRIQCEKKZCUIOG-VIFPVBQESA-N 270.354 0.447 10 10 CCCE COc1ccc(O)c(CNC(=O)[C@H]2CSC(=O)N2)c1 769530764 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Nc1ccc(CCCN2CCOC[C@@H]2C(=O)O)cc1 2123047121 WLJXMQBBVDHUMD-CYBMUJFWSA-N 264.325 0.987 10 10 CCCE C[C@@H](C(=O)NCc1cc(O)ccc1O)N1CCN(C)CC1 1643882388 USWGMPFXRVAPRB-NSHDSACASA-N 293.367 0.350 10 10 CCCE C[C@@H]1CC[C@H](C(=O)N(CC(N)=O)Cc2ccc(N)cc2)O1 155457436 YEQPVLRRVAYJMG-ZWNOBZJWSA-N 291.351 0.650 10 10 CCCE C[C@H](Cn1cnnc1)NCc1ccc(O)c(O)c1O 2130142412 GGWWVODLQCHASL-MRVPVSSYSA-N 264.285 0.573 10 10 CCCE CN(C[C@@]1(O)CCOC1)C(=O)c1cccc(O)c1O 2129442806 AGBYYAMKPWQURM-ZDUSSCGKSA-N 267.281 0.321 10 10 CCCE CCN[C@H](CC)CNC(=O)c1cc(O)c(O)c(O)c1 2132403107 HTHUIARZRVXUEA-SECBINFHSA-N 268.313 0.921 10 10 CCCE CNC(=O)NC(=O)[C@@H](C)N1CCC(CN=[N+]=[N-])CC1 1912166054 RPEDJDJFIDFQDV-MRVPVSSYSA-N 268.321 0.853 10 10 CCCE CN(CC(=O)Nc1ccc(N)cc1)CC1(CO)CC1 1915532631 UUKDZHLUBGRCKB-UHFFFAOYSA-N 263.341 0.912 10 10 CCCE Nc1ccc(CS(=O)(=O)NC[C@@H]2[C@H]3CN[C@H]2C3)cc1 2138288988 PNMHPJAVSBPWST-RTXFEEFZSA-N 281.381 0.296 10 10 CCCE CC(=O)C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)[C@H]1C 1919349165 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COc1ccc(N2CCN(C(=O)[C@@H](C)CN)CC2)cc1 44797095 DHSMVQVJDJHZQU-LBPRGKRZSA-N 277.368 0.939 10 10 CCCE CN1CC2(C1)CN(c1cc3c(cc1N)OCC(=O)N3)C2 2152278493 KGFDUAAMYPYQLK-UHFFFAOYSA-N 274.324 0.352 10 10 CCCE Cc1cc(CO)ccc1N1C[C@H](O)[C@H](N(C)C)C1 2029433019 HISOHOWOBKFHPZ-KGLIPLIRSA-N 250.342 0.598 10 10 CCCE C[C@@H](N)c1ccc(N2CCN(S(C)(=O)=O)CC2)cc1 62084902 PSAQJLJPKWDNRW-LLVKDONJSA-N 283.397 0.788 10 10 CCCE Oc1ccc(CNCC[C@]2(O)CCOC2)c(O)c1O 404173288 BQWVLFNRHOJUDO-ZDUSSCGKSA-N 269.297 0.435 10 10 CCCE O=C(O)[C@H]1C(=O)NCC[C@H]1c1ccc(O)c(O)c1 96883126 FZEGQUUZLDNNCS-OIBJUYFYSA-N 251.238 0.402 10 10 CCCE CC[C@@H](N)c1ccc(N2CC[C@](O)(C(N)=O)C2)cc1 311894984 ZCJIFOJAVDVBIO-TZMCWYRMSA-N 263.341 0.523 10 10 CCCE NC(=O)c1coc(CNC(=O)c2ccc(O)c(O)c2)n1 2160646822 RWIOOVUXJVARAE-UHFFFAOYSA-N 277.236 0.115 10 10 CCCE CCN(CC)CCN[C@H](C(N)=O)c1c(O)cccc1F 2160773118 WDZWJKRZNAHIIO-ZDUSSCGKSA-N 283.347 0.989 10 10 CCCE CN1C(=O)CC[C@@H](NC(=O)Nc2ccc(N)cc2)C1=O 90031913 SPKRUVSAKGNGBE-SNVBAGLBSA-N 276.296 0.538 10 10 CCCE C[C@H](C(=O)Nc1ccc(N)cc1)N1C[C@@H](O)C[C@H](O)C1 2161397493 SEVMXTKHWRBQGW-ICCXJUOJSA-N 279.340 0.023 10 10 CCCE NC(=O)N[C@H]1CCN(c2ccc(CO)cc2F)C1 690734154 SHHBRSVTSVFTEP-VIFPVBQESA-N 253.277 0.565 10 10 CCCE Cc1nncn1CCNC(=O)COc1ccc(N)cc1 390668730 ZSVVPJRXUUKXHQ-UHFFFAOYSA-N 275.312 0.364 10 10 CCCE CCC[C@H](NS(=O)(=O)Cc1ccc(N)cc1)C(N)=O 382161371 CMNCNXIYJPNDBS-NSHDSACASA-N 285.369 0.342 10 10 CCCE Nc1ccc(OCC(=O)N[C@@H](CO)CC(F)F)cc1 717696078 GKXLQRADYJXOGF-SECBINFHSA-N 274.267 0.780 10 10 CCCE C[C@@H]1CN(CCC(=O)Nc2ccc(N)cc2)C[C@H]1O 387597629 QBIMQKGISLBYBG-ZWNOBZJWSA-N 263.341 0.910 10 10 CCCE Nc1ccc(NC(=O)N[C@@]2(CO)CCOC2)cc1 2071558797 RHOCZSWORUOZHD-GFCCVEGCSA-N 251.286 0.542 10 10 CCCE [N-]=[N+]=NCCN[C@]1(C(N)=O)CC[C@@H]2COCC[C@H]2C1 723608186 KXDJQDUNFGXBTB-HOSYDEDBSA-N 267.333 0.947 10 10 CCCE C[C@H](CNCc1ccc2c(c1)CCO2)S(N)(=O)=O 398293409 QJVVJZPHDYBDIM-SECBINFHSA-N 270.354 0.388 10 10 CCCE C[C@H](C[S@](C)=O)N(C)c1ccc2c(c1)NC(=O)[C@H]2N 398898857 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10 CCCE Nc1ccc(CCC(=O)NC[C@]2(CO)CCCO2)cc1 2194011627 LZTJLSBMPRPLFN-HNNXBMFYSA-N 278.352 0.859 10 10 CCCE COc1cccc(CN2C[C@@H](O)C[C@H]2CN)c1O 2067387841 BKLXYIMLMOUDHO-QWRGUYRKSA-N 252.314 0.295 10 10 CCCE CC1(CNC(=O)c2cc(O)c(O)c(O)c2)CNC1 2068622895 BMTYCTOYMADFJP-UHFFFAOYSA-N 252.270 0.143 10 10 CCCE CCN(C[C@@H](C)N)C(=O)COc1ccc(N)cc1 2071681873 CBUXQNSFKCFEAX-SNVBAGLBSA-N 251.330 0.843 10 10 CCCE C[C@H](NC(=O)[C@@H](C)NC(N)=O)c1ccccc1O 2072476269 KKPGCHVYHXKFCM-JGVFFNPUSA-N 251.286 0.626 10 10 CCCE COc1cccc(CNC[C@H]2CCNC2=O)c1O 2075993820 HNVKMOWFVCOQMU-SNVBAGLBSA-N 250.298 0.627 10 10 CCCE C[C@H]1C[C@H](CO)CN1CC(=O)c1ccc(O)c(O)c1 2100329373 BEGJWBGQJROSGS-UWVGGRQHSA-N 265.309 0.983 10 10 CCCE Nc1ccc(O)c(CN2C[C@H]3COC[C@@H](C2)C3O)c1 2111491570 PKRGFEWJPLOSDQ-BVUQATHDSA-N 264.325 0.414 10 10 CCCE Nc1ccc(OCCC(=O)OC[C@H]2CC(=O)N2)cc1 2092754443 QJFAAQFZPSDPQT-SNVBAGLBSA-N 264.281 0.469 10 10 CCCE OCC[C@@H]1CN(c2ccc(CO)cc2F)C[C@@H]1CO 2093501637 OPCKJUMHOQUUJD-VXGBXAGGSA-N 269.316 0.745 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@]12CC[C@H]1CNC2 2095024898 UAHRQRZSDRGHIT-IINYFYTJSA-N 262.309 0.509 10 10 CCCE Oc1ccc(CNCCc2ccnnc2)c(O)c1O 2095524125 INSCALABNKNIFV-UHFFFAOYSA-N 261.281 0.926 10 10 CCCE CN1CCN(C)[C@@H](C(=O)N(C)c2ccc(N)cc2)C1 2099564434 RZVITULGWSKYSH-CYBMUJFWSA-N 262.357 0.477 10 10 CCCE OC[C@@H]1C[C@H](NCc2c(O)cccc2Cl)[C@@H](O)[C@H]1O 2121472516 FEJWEOYIICIAKY-CETXONJKSA-N 287.743 0.238 10 10 CCCE CO[C@H]1CS(=O)(=O)C[C@@H]1N(C)Cc1ccc(C)cc1O 2204670031 LXQGJWVGVZLFKZ-JSGCOSHPSA-N 299.392 0.944 10 10 CCCE OCCN(CCO)c1ccc2c(c1)OCCCO2 2219649344 LSPTXXJFIWOBIU-UHFFFAOYSA-N 253.298 0.639 10 10 CCCE O=[N+]([O-])c1cc(NS(=O)(=O)NC2CC2)ccc1O 2220604982 GRPLVRVXCDKALW-UHFFFAOYSA-N 273.270 0.709 10 10 CCCE CO[C@H]1[C@H](CO)N(c2ccc(CN)cc2F)C[C@H]1OC 2233357514 SZUXMMFQJUVYLS-MJBXVCDLSA-N 284.331 0.495 10 10 CCCE COc1cc(N2C[C@@H](O)C[C@H]2CO)cc(OC)c1OC 2235133061 YFTSAZRMTAUFLI-QWRGUYRKSA-N 283.324 0.644 10 10 CCCE COc1ccc(N2CC3(C2)OC[C@H](O)[C@H]3O)c(C)c1 2226748226 MPGIGPCWFXWADD-QWHCGFSZSA-N 265.309 0.314 10 10 CCCE CO[C@H](C)C[S@@](=O)CC(=O)Nc1ccc(N)cc1 2256527815 AZMZTJIRSUJIDR-DYBLOJMWSA-N 270.354 0.991 10 10 CCCE NCc1cc(F)c(N2CC[C@H]2[C@H](O)CO)c(F)c1 2258335584 UREBQMIERUUCJS-WDEREUQCSA-N 258.268 0.355 10 10 CCCE COc1ccc(N2CC[C@H](O)[C@@H](O)CC2)c(C=O)c1 2269139022 RKSYWKSLCVEXBI-KBPBESRZSA-N 265.309 0.830 10 10 CCCE CS(=O)(=O)C1CC(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)C1 2269869133 JSYMAOLLCOMPOC-XNWIYYODSA-N 286.357 0.968 10 10 CCCE N[C@@H]1CCCN(C(=O)NCCc2ccc(O)c(O)c2)C1 2285486339 GBXBBZIHNIQIHR-LLVKDONJSA-N 279.340 0.773 10 10 CCCE COC1CN(CCNCc2ccc(F)cc2O)C1 2317694404 HZHAAOBTHZOGOC-UHFFFAOYSA-N 254.305 0.952 10 10 CCCE NCc1ccc(N2C[C@@H](O)[C@H](CO)C2)cc1C1CC1 2339145842 MPPAKALMLBFOFV-SWLSCSKDSA-N 262.353 0.812 10 10 CCCE CSc1cc(N2C[C@H](O)[C@@H](O)[C@H]2CF)ccc1CN 2353851612 MTKRLYDTMURQGA-MDZLAQPJSA-N 286.372 0.747 10 10 CCCE Cc1nn(C)c(C)c1S(=O)(=O)NCCN=[N+]=[N-] 50265142 KJONRMFYXWIRSW-UHFFFAOYSA-N 258.307 0.626 10 10 CCCE C[C@H](O)CCN(C)c1cc2c(cc1N)OCC(=O)N2 135521445 ITBALYARWXAERC-QMMMGPOBSA-N 265.313 0.807 10 10 CCCE C[C@@](O)(CNC(=O)c1cc(O)nc(O)c1)C1CC1 310808489 IDLJRHNEBYJJTG-GFCCVEGCSA-N 252.270 0.384 10 10 CCCE [N-]=[N+]=N[C@H]1CCCN(C(=O)c2cc(O)nc(O)n2)C1 403847813 RPUHOVNWFMQCRR-LURJTMIESA-N 264.245 0.803 10 10 CCCE Nc1ccc(OC[C@@H](O)CN2CCOCC2)cc1 36669820 XHTGJKSTGIGBKY-LBPRGKRZSA-N 252.314 0.341 10 10 CCCE C[C@H](c1ccccc1O)N(C)C(=O)c1cn(CCN)nn1 89699812 NPCSXOZNUBBDNK-SNVBAGLBSA-N 289.339 0.776 10 10 CCCE N[C@H](c1ccc(N2CCCC2)cc1)C1(O)CS(=O)(=O)C1 2163230264 QJLLSRRUSHNEKI-CYBMUJFWSA-N 296.392 0.446 10 10 CCCE O[C@H]1CCN(c2ccc(CNC3CC3)cc2)C[C@@H]1O 2132137769 POSMNVYXJVMNRG-GJZGRUSLSA-N 262.353 0.871 10 10 CCCE C[C@@H](NC(=O)[C@@H](O)C(C)(C)O)c1ccccc1O 913763647 MQJJJDOXRQOKDV-LDYMZIIASA-N 253.298 0.701 10 10 CCCE CC(=O)N1CCC[C@H]1C(=O)NCc1ccc(O)cc1O 910957630 UCLQVGWRDZGLAG-LBPRGKRZSA-N 278.308 0.725 10 10 CCCE O=S(=O)(NCc1c(O)cccc1F)N1CCOCC1 921452608 UGHLBDYEENORPU-UHFFFAOYSA-N 290.316 0.198 10 10 CCCE COc1cc(CN2CCO[C@H](CC(N)=O)C2)c(O)cc1C 863326855 TYIDCFAWPJSGGA-GFCCVEGCSA-N 294.351 0.785 10 10 CCCE Nc1ccc(NC(=O)NC[C@@H]2CNCCCO2)cc1 1876152965 NBUKARIISDNAHW-LBPRGKRZSA-N 264.329 0.769 10 10 CCCE Nc1ccc(OCCN=c2ccc(N)c(N)[nH]2)cc1 1876230589 MVFHAVTYAYROFP-UHFFFAOYSA-N 259.313 0.741 10 10 CCCE C[C@H]1C[S@@](=O)CCN1C(=O)c1cc(O)c(O)c(O)c1 2132393697 ZKIHUKGAVVIXTP-IIYDVTGLSA-N 285.321 0.396 10 10 CCCE Nc1ccc(CCC(=O)N[C@@H]2COCC[C@H]2N)cc1 1876448241 CARIXNTWJTZBGF-CHWSQXEVSA-N 263.341 0.434 10 10 CCCE CN(CCOCCOCCO)Cc1ccccc1O 1877523644 GTUHVPQMUMBOJK-UHFFFAOYSA-N 269.341 0.850 10 10 CCCE C[C@H](c1ccccc1O)N(C)[C@H]1CS(=O)(=O)C[C@@H]1N 1877545503 PIQDDSVPUYIRIB-USWWRNFRSA-N 284.381 0.509 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@]23CCOC[C@@H]2C3)cc1 1880135789 AOJWJQLYVHVPRW-WCQYABFASA-N 282.365 0.867 10 10 CCCE C[C@]1(CO)CCN(C(=O)Cc2ccc(O)c(O)c2)C1 1962991925 BSIWFFVPLAGHIS-AWEZNQCLSA-N 265.309 0.871 10 10 CCCE Cc1cccc([C@H](N)C(=O)NCc2ncc[nH]2)c1O 83439821 XOVPRTYGYPLWCL-NSHDSACASA-N 260.297 0.740 10 10 CCCE CN(C[C@@H](O)CN1CCCC1=O)c1ccc(N)cc1 1963340537 IHBOXRFQUDVCOO-CYBMUJFWSA-N 263.341 0.688 10 10 CCCE NS(=O)(=O)CCCCNCc1ccc(F)c(F)c1O 703394251 JUMHFYQCIZRAQG-UHFFFAOYSA-N 294.323 0.829 10 10 CCCE O=C(/C=C\c1ccc(O)c(O)c1)NCCOCCCO 1322729620 VVTNBPZILPATHP-HYXAFXHYSA-N 281.308 0.626 10 10 CCCE CN(c1c(F)cc(CO)cc1F)[C@@H]1COC[C@@H]1O 708712337 ADBZPWSUFYDYCN-MNOVXSKESA-N 259.252 0.653 10 10 CCCE COC[C@@H](ON)C(=O)N(C)Cc1ccccc1O 710500008 GAKIFXDKTVTZNG-LLVKDONJSA-N 254.286 0.256 10 10 CCCE C[C@@H](O)CN(C)S(=O)(=O)CCOc1ccc(N)cc1 70490836 XGTGMUVQOCUMRW-SNVBAGLBSA-N 288.369 0.290 10 10 CCCE CCOc1cccc(CN[C@H]2CCC(=O)NC2=O)c1O 89752187 AKJYEJOIPOCCSJ-JTQLQIEISA-N 278.308 0.686 10 10 CCCE NC(=O)[C@H]1CCC[C@@H]1NC(=O)c1ccc(O)c(O)c1 2117476230 UNKVDYRAGROJQP-IUCAKERBSA-N 264.281 0.482 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1C[C@@H]2C[C@@H]2[C@@H]1CO 1905845952 CSQJNLMHETXJOH-DCAQKATOSA-N 263.293 0.480 10 10 CCCE O=S1(=O)C[C@H]2[C@@H](CNCc3ccc(O)cc3O)[C@H]2C1 2117986771 AJSUNMHHOYGSMX-ZSBIGDGJSA-N 283.349 0.478 10 10 CCCE COc1ccc(CNC(=O)[C@H]2C[C@H]2C(N)=O)c(O)c1 1617753528 QAZSSTZSVGKMFU-ZJUUUORDSA-N 264.281 0.138 10 10 CCCE CC(C)NC(=O)CN(C)C(=O)Cc1ccc(O)c(O)c1 1540422956 JOWIILGJIRHZCY-UHFFFAOYSA-N 280.324 0.623 10 10 CCCE CN(C)CC1(NC(=O)Nc2ccc(N)cc2)COC1 2120347791 BOSKQHAPQOJEGW-UHFFFAOYSA-N 264.329 0.721 10 10 CCCE COc1ccc(O)c([C@H](C)NC(=O)C2(O)COC2)c1 1631543236 RCVBHVYWNRNICN-QMMMGPOBSA-N 267.281 0.339 10 10 CCCE COc1cc2c(cc1OC)N(CC(=O)O)CC(=O)N2 214170094 IDVUXDBWDNLQJL-UHFFFAOYSA-N 266.253 0.547 10 10 CCCE Cc1cc(N2C[C@@H]3C[C@H](C2)[C@@H](O)[C@H]3O)ccc1CN 2126150986 RBYNSBOKAJYADR-CUFDPUGPSA-N 262.353 0.632 10 10 CCCE C[C@H]1CN(C[C@@H](O)CO)c2cc3c(cc2N1)OCCO3 251929414 YPNRFRIDMUEYPN-VHSXEESVSA-N 280.324 0.431 10 10 CCCE CN(C[C@@H](O)CCN)c1ccc2c(c1)CC(=O)N2C 259282705 RZBCPGNNUJBRBC-LBPRGKRZSA-N 263.341 0.351 10 10 CCCE OCCN[C@H]1CCN(c2ccc3c(c2)OCO3)C1 259432505 UONJYRNPURYICH-JTQLQIEISA-N 250.298 0.576 10 10 CCCE C[C@@H]1CCC(=O)CN1C(=O)c1cc(O)c(O)c(O)c1 2132410897 QLNQWWUMOAXEAF-SSDOTTSWSA-N 265.265 0.997 10 10 CCCE COC(=O)[C@@H](NCCN=[N+]=[N-])C1(OC)CCOCC1 1912161642 LSBJLCABDGITHJ-SECBINFHSA-N 272.305 0.624 10 10 CCCE [N-]=[N+]=NC1CCN(CC(=O)N2CCOCC2)CC1 1912179995 UZZLIFPTWAHCEY-UHFFFAOYSA-N 253.306 0.620 10 10 CCCE [N-]=[N+]=NC[C@H]1CCN(C[C@H](O)CN2CCOCC2)C1 1912162411 VQQVGRGVUBTKGX-VXGBXAGGSA-N 269.349 0.312 10 10 CCCE CC(=O)N1CCN(C(=O)CN(C)CCCN=[N+]=[N-])CC1 1912171470 KXBBMVLKYMDGJG-UHFFFAOYSA-N 282.348 0.309 10 10 CCCE CN(CCN1CCc2cc(CN)ccc21)S(C)(=O)=O 2133395412 PYNUQOBNVUFUQU-UHFFFAOYSA-N 283.397 0.399 10 10 CCCE CNCc1ccc(N2CC[C@H](O)[C@@H](O)C2)cc1OC 2139696582 JEILDULORSHJPI-STQMWFEESA-N 266.341 0.347 10 10 CCCE COC1(C(=O)O)CN(C(=O)c2cccc(O)c2O)C1 1917700404 VVLFZPHJPGMHJC-UHFFFAOYSA-N 267.237 0.023 10 10 CCCE Nc1ccc(NC(=O)CN(CCCO)CCCO)cc1 1922183101 SVUSUZIJEYXIMT-UHFFFAOYSA-N 281.356 0.274 10 10 CCCE C[C@H]1CN(CCOc2ccc(N)cc2)C[C@@H](CO)O1 229945987 XILSGZDRSLWINF-FZMZJTMJSA-N 266.341 0.729 10 10 CCCE CC(=O)C(=O)[C@@H](O)c1nn(C)cc1Br 1930534605 GYNFYQGPYJBMEO-QMMMGPOBSA-N 261.075 0.374 10 10 CCCE NCc1ccc(N2CC[C@H](O)C[C@@H]2CO)c(F)c1F 2136083700 FQUNTCGEMPKABL-ZJUUUORDSA-N 272.295 0.746 10 10 CCCE NCc1ccc(N2C[C@@H]3C(C(N)=O)[C@H]3C2)c(F)c1F 2136605919 KMGFSXSYYISXLT-YUMQZZPRSA-N 267.279 0.591 10 10 CCCE CNC(=O)[C@@H]1COCCN1c1ccc(CN)c(Cl)c1 130123459 YDDATISQVMXEPF-LBPRGKRZSA-N 283.759 0.750 10 10 CCCE C[C@@H]1CCN(CC(=O)c2ccc(O)c(O)c2)[C@@H]1C(N)=O 2146466432 YNOCDMDYQHUBKA-OQPBUACISA-N 278.308 0.476 10 10 CCCE COc1cc([C@@H]2NCCN(C)C2=O)cc(O)c1O 1952153841 VSCGFEQHIPPHSF-JTQLQIEISA-N 252.270 0.209 10 10 CCCE COC(=O)[C@H](N)[C@@H](Cc1ccc(O)c(O)c1)OC 1952307441 ZMRISTBNGVOGNS-GHMZBOCLSA-N 255.270 0.156 10 10 CCCE COc1cc(C(C)(C)[C@H](N)C(=O)O)cc(O)c1O 1952724511 RNJMNQIDJGTLHV-SNVBAGLBSA-N 255.270 0.796 10 10 CCCE Oc1cc(F)ccc1CN[C@@H]1C[C@H]2C[C@H]1[C@H](O)[C@H]2O 1974156801 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CC(=O)C(=O)[C@H](O)c1ccc(OCCN(C)C)cc1 1919044193 GVEPLUIAFBRQME-CQSZACIVSA-N 265.309 0.819 10 10 CCCE CCN(Cc1ccc(N)cc1)S(=O)(=O)C1COC1 1923229953 CZAJOFBFIPGSEG-UHFFFAOYSA-N 270.354 0.819 10 10 CCCE N[C@@]1(CC(=O)NCCc2ccc(O)c(O)c2)CCSC1 1968738688 CXXDNQNVTYEBEC-CQSZACIVSA-N 296.392 0.981 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3C[C@@H](O)C3(C)C)ccc21 2136628950 FTHLAJKKXCPWSU-NEPJUHHUSA-N 261.325 0.859 10 10 CCCE C[C@@]1(O)CN(c2ccc(CN)c(F)c2F)CC[C@H]1O 2136845183 IYJGIFXCNXWKLK-ZWNOBZJWSA-N 272.295 0.746 10 10 CCCE O=S1(=O)C[C@H]2[C@@H](CNCc3ccc(F)cc3O)[C@H]2C1 2139881253 JKHKTTZDSCLUQK-ZSBIGDGJSA-N 285.340 0.912 10 10 CCCE C[C@H](CS(N)(=O)=O)N[C@H](C)c1ccccc1O 1947425946 PFTNMJBDVGQXKH-RKDXNWHRSA-N 258.343 0.720 10 10 CCCE COC1(CO)CN(c2ccc(CN)cc2Cl)C1 1951062111 VDHOPYHGWZQXEA-UHFFFAOYSA-N 256.733 0.996 10 10 CCCE CNCc1ccc(N2CC[C@@H](N(C)S(C)(=O)=O)C2)cc1 2146935080 JILPVWJQSDGHDY-CQSZACIVSA-N 297.424 0.876 10 10 CCCE NC[C@]1(F)C[C@H](CNC(=O)Cc2ccc(O)c(O)c2)C1 1974025181 KAOMBQHYYJRTFK-YPFXGUDJSA-N 282.315 0.834 10 10 CCCE C[C@@](CCS(C)(=O)=O)(NCCN=[N+]=[N-])C(=O)O 1997982124 FYEUWHMHWPYUIA-QMMMGPOBSA-N 264.307 0.164 10 10 CCCE O=S(=O)(CC1CNC1)Nc1ccc(O)c(F)c1 2018539433 SPPFUHZEGFAMTK-UHFFFAOYSA-N 260.290 0.492 10 10 CCCE [N-]=[N+]=N[C@@H]1CCCN(C[C@H](O)CN2CCOCC2)CC1 2155561027 QANPONGSRFOFOD-OLZOCXBDSA-N 283.376 0.844 10 10 CCCE CC[C@@H]1C[C@@H](C(=O)O)N(C(=O)c2cc(O)nc(O)c2)C1 2159238436 KOTQZBYWCVIGFE-APPZFPTMSA-N 280.280 0.818 10 10 CCCE COCCN1CC[C@@H](Nc2c(N)cccc2C(N)=O)C1 2160023411 GZCZTJOSMRXFNY-SNVBAGLBSA-N 278.356 0.500 10 10 CCCE [N-]=[N+]=NCCNC(=O)c1cnc2ccccn2c1=O 701286228 JOBMCLGQGCXXDT-UHFFFAOYSA-N 258.241 0.735 10 10 CCCE CO[C@H]1CS(=O)(=O)C[C@H]1N(C)Cc1c(C)cccc1O 2160771426 YWCSPXUNFDPNGJ-OCCSQVGLSA-N 299.392 0.944 10 10 CCCE O=C1Nc2cc(N3C[C@H]4C[C@H](O)[C@H]3C4)c(F)cc2[C@H]1O 2177183315 HQZSQKFNFGLGHJ-BNDHKUSASA-N 278.283 0.771 10 10 CCCE Nc1ccc(CCC(=O)NCCn2cncn2)cc1 381821867 UUTITUGNJHCXQL-UHFFFAOYSA-N 259.313 0.609 10 10 CCCE Nc1ccc(-n2ccc(C(=O)N3CCOC3)n2)cc1 382943737 ZCGDOGBPWNXOMC-UHFFFAOYSA-N 258.281 0.884 10 10 CCCE CN1CCc2cc(CNCc3cc(=O)n(C)[nH]3)ccc21 391454112 TUEOSJNCWCUUMZ-UHFFFAOYSA-N 272.352 0.996 10 10 CCCE CCC(=O)NCCNC(=O)Nc1ccc(N)cc1 393102282 HCXYBKPDCSNXHD-UHFFFAOYSA-N 250.302 0.917 10 10 CCCE CN[C@H](C)c1ccc(N2CC[C@@H](O)[C@H](CO)C2)cc1O 396792817 BZEIFMRYTUCBQV-UHIISALHSA-N 280.368 0.852 10 10 CCCE CNC(=O)CC[S@@](=O)CCOc1ccc(N)cc1 399357340 NLEPJXYAEMTRMN-GOSISDBHSA-N 270.354 0.532 10 10 CCCE CN(C)C(=O)C1CN(c2ccc([N+](=O)[O-])c(CO)c2)C1 2177535097 CNHWHHUEGQMMRS-UHFFFAOYSA-N 279.296 0.612 10 10 CCCE CNCc1ccc(N2CC[C@@]3(CNC(=O)N3)C2)c(C)c1 2177687422 KRQZAXPBFPRWQP-OAHLLOKOSA-N 274.368 0.976 10 10 CCCE COc1cnn(Cc2c(O)cc(O)cc2O)c1O 2070207091 HRAQOLBQINHTDY-UHFFFAOYSA-N 252.226 0.762 10 10 CCCE CCc1nn2c(O)cc(CC(=O)O)nc2c1C(=O)OC 2080930779 VDAOOZLQBKGDRE-UHFFFAOYSA-N 279.252 0.411 10 10 CCCE Nc1ccc(NC(=O)CN2CCO[C@H]3COC[C@H]32)cc1 2192681285 UFBDIFABFFLZNY-OLZOCXBDSA-N 277.324 0.307 10 10 CCCE COC[C@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)CCO1 2188868827 XOVJVYVIFJGBDY-SECBINFHSA-N 283.280 0.291 10 10 CCCE O=C(N[C@@H](CO)c1cscn1)c1cc(O)c(O)c(O)c1 2188867887 ITKGEPNPFBPCSQ-ZETCQYMHSA-N 296.304 0.723 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CC(n2cccn2)C1 2188873999 CCIGBBWZHREMIS-UHFFFAOYSA-N 275.264 0.697 10 10 CCCE CCN(CCOCCOCCO)c1ccc(CN)cc1 2184283334 JGSSNEHHTLFBIM-UHFFFAOYSA-N 282.384 0.997 10 10 CCCE CN(C[C@@H](O)COc1ccc(N)cc1)C1(CCO)CC1 2190079138 SCJUANRDFUFKDI-CYBMUJFWSA-N 280.368 0.855 10 10 CCCE NCc1ccc2c(c1)CCCN2CC[C@H](O)CO 2044596334 TUBNMWGSKYMQJK-ZDUSSCGKSA-N 250.342 0.641 10 10 CCCE C[S@@](=O)C1CN(c2cc3c(cc2N)OCCO3)C1 2051891848 KCFXTPKECODZFN-GOSISDBHSA-N 268.338 0.607 10 10 CCCE C[C@@H](O)c1cc(F)c(N2CC[C@@](O)(C(N)=O)C2)c(F)c1 2194516485 IYCINKSYDJKCBE-UHLUBPPHSA-N 286.278 0.445 10 10 CCCE C[C@@H](O)[C@H]1CN(c2ccc(CN)c(F)c2)CCO1 2053844971 KSCFBFLEYHTBQI-NOZJJQNGSA-N 254.305 0.870 10 10 CCCE CO[C@]1(CN(C)C(=O)c2cccc(O)c2O)CCOC1 2186195853 UNBXVKGHGHURCK-AWEZNQCLSA-N 281.308 0.975 10 10 CCCE O=C(NC[C@H]1OCC[C@@H]1F)c1cccc(O)c1O 2058667916 KWSDHJQOIAWMAZ-WCBMZHEXSA-N 255.245 0.955 10 10 CCCE CC1(C)[C@@H](O)[C@H](O)CN1c1ccc(CO)cc1F 2060874347 IHEUBZONFYAAMO-NEPJUHHUSA-N 255.289 0.638 10 10 CCCE N[C@@H]1C=CCN(C(=O)c2cc(O)c(O)c(O)c2)C1 2068614995 KKBBDPKFLZXPHP-MRVPVSSYSA-N 250.254 0.143 10 10 CCCE COC(=O)[C@]1(NCCN=[N+]=[N-])C[C@H]2CC[C@H]1CN2 2071502877 ZPWJPGJWJYQYQI-NGZCFLSTSA-N 253.306 0.570 10 10 CCCE C[C@]1(O)CN(Cc2cc(N)ccc2O)CC[C@@H]1O 2081715397 IASIPWNQZMNZLF-STQMWFEESA-N 252.314 0.292 10 10 CCCE O[C@H]1CNCCN(c2ccc3c(c2)OC(F)(F)O3)C1 2106347112 PMFKLHGUSZGMQO-VIFPVBQESA-N 272.251 0.779 10 10 CCCE C[C@]1(O)CN(c2ccc(CO)c([N+](=O)[O-])c2)CC[C@@H]1O 2201546977 GOXLXUKZPXMGSK-STQMWFEESA-N 282.296 0.409 10 10 CCCE CNCc1ccc(N2CC(OCC(N)=O)C2)cc1OC 2204557377 OXSGCGAYFJMXQZ-UHFFFAOYSA-N 279.340 0.105 10 10 CCCE COc1cc(N2CCN3C[C@@H](O)C[C@H]3C2)ccc1CN 2204559436 PCSMLAWXSBNHSD-KBPBESRZSA-N 277.368 0.409 10 10 CCCE Cc1cccc(CNC(=O)[C@H](N)c2cnn(C)c2)c1O 2204629988 QUJXPWADUGZYSZ-GFCCVEGCSA-N 274.324 0.750 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3Cc4cncnc4C3)ccc21 2206208593 PHRYJDMRIUWCSK-CYBMUJFWSA-N 267.292 0.949 10 10 CCCE O=C1Nc2cc(N3CC(OCCCO)C3)ccc2[C@H]1O 2206958965 XUGSUTPIEVMYOB-CYBMUJFWSA-N 278.308 0.260 10 10 CCCE OCC1(O)CN(c2ccc(CNC3CCC3)cc2)C1 2231474578 RQSGIGZJVPDWGF-UHFFFAOYSA-N 262.353 0.872 10 10 CCCE COC[C@@H]1[C@@H](O)[C@@H](O)CN1c1ccc([C@H](C)N)cc1F 2234064916 HLRWVSSHDUVOEH-ZLCVWYCYSA-N 284.331 0.402 10 10 CCCE NC[C@@]12COC[C@@H]1CN(C(=O)c1ccc(O)c(O)c1)C2 2234560466 WVKWRACVBUFQCB-IINYFYTJSA-N 278.308 0.145 10 10 CCCE COc1ccc(N2CCC[C@H]3C(=O)NC[C@@H]32)c(CN)c1 2235964316 XHLQOWRTCYTQIT-OCCSQVGLSA-N 275.352 0.869 10 10 CCCE COc1ccc(N2CC[C@H]3C[C@H]2[C@H](O)[C@@H]3O)c(C=O)c1 2235983407 OIJUZPRSLTZPDV-JVOAXRGISA-N 277.320 0.828 10 10 CCCE Nc1cc2c(cc1N1C[C@@H](O)C[C@H](F)C1)OCCO2 2226278125 LUYNLCRLBYYZGH-IUCAKERBSA-N 268.288 0.949 10 10 CCCE NCCc1nc(=NC(=O)COc2ccc(N)cc2)s[nH]1 2238238488 UIFIYCCEORTVIX-UHFFFAOYSA-N 293.352 0.061 10 10 CCCE COc1cc(OC)c(N2CC(O)(C(N)=O)C2)cc1Cl 2270378308 LAQJWZJCANMFMF-UHFFFAOYSA-N 286.715 0.394 10 10 CCCE OC[C@@H](O)[C@@H]1CCN1c1ccc2c(c1)CCC[C@H]2O 2270715103 NLIBWRZNWBPVEU-RRFJBIMHSA-N 263.337 0.988 10 10 CCCE C[C@H](NC(=O)[C@@H]1CC[C@@H](O)CN1)c1ccccc1O 2264560612 OSBFGMQSRCWHHM-UMNHJUIQSA-N 264.325 0.682 10 10 CCCE NC[C@H]1CC[C@H](C(=O)NCc2ccccc2O)CO1 2264667270 KDCCGXPDTYNPNE-NWDGAFQWSA-N 264.325 0.762 10 10 CCCE COc1ccc(N2C[C@H](O)C[C@H]2CN)c(OC)c1C 2278022246 YXEYDYJYOSFJEZ-WDEREUQCSA-N 266.341 0.911 10 10 CCCE CSc1ncc(CN=c2[nH]c(N(C)C)nc(=N)[nH]2)s1 2269311994 MJVDOIUJAKPCSY-UHFFFAOYSA-N 297.413 0.563 10 10 CCCE Cc1cc(N2CC[C@](O)(CO)[C@@H](O)C2)ccc1[C@@H](C)N 2285126159 FIFCGFXLRGVNPG-UGFHNGPFSA-N 280.368 0.309 10 10 CCCE CN(Cc1ccccc1O)S(=O)(=O)[C@H]1CC[C@H]1N 2316351119 TVEXUAVSSIMTQG-PWSUYJOCSA-N 270.354 0.644 10 10 CCCE CN(C[C@H]1CCO1)C(=O)COc1ccc(N)cc1 2318626298 RAZOSRNUQBXIDM-GFCCVEGCSA-N 250.298 0.895 10 10 CCCE N[C@H]1CC[C@@H]2CN(C(=O)c3ccc(O)c(O)c3)C[C@H]12 2328656388 CSDXAJONHRQQNS-VWYCJHECSA-N 262.309 0.907 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)[C@@H]1[C@H]2CN[C@@H]1C2 2333039757 LMZGGJUAHHIDPQ-GIPNMCIBSA-N 262.309 0.364 10 10 CCCE O=C(O)[C@@H]1[C@@H]2CC[C@H]1N(C(=O)c1cc(O)nc(O)c1)C2 2354633978 YDSXVVMEXYJVIS-AZTOOPQRSA-N 278.264 0.428 10 10 CCCE C[C@H]1CN(C(=O)C2=C[C@@H](O)[C@@H](N)C2)c2cccnc2O1 2356633870 OOULVXPVPMDKPV-PTOFAABTSA-N 275.308 0.214 10 10 CCCE Nc1ccc(OC[C@H](O)CN2[C@H]3CC[C@@H]2CC(O)C3)cc1 111383468 UUJNHQWHCRWWBW-IZGVIRRGSA-N 292.379 0.996 10 10 CCCE CNC(=O)Cn1cc(NCc2cccc(OC)c2O)cn1 37787017 FTFIPGBJGCLMOI-UHFFFAOYSA-N 290.323 0.955 10 10 CCCE O=C1CCN(Cc2cc3c(cc2O)OCO3)CCN1 44780984 MHFCODAHHOJKMS-UHFFFAOYSA-N 264.281 0.443 10 10 CCCE COC(=O)[C@]1(NCCN=[N+]=[N-])CCCN(C)CC1 90256834 GJEAINXKLPMRBY-NSHDSACASA-N 255.322 0.914 10 10 CCCE O=C(O)C[C@H]1CN(Cc2ccc(O)c(O)c2)CCO1 91298820 FUNRPBHMHYTLGF-JTQLQIEISA-N 267.281 0.773 10 10 CCCE O=c1[nH]c(CNCc2ccc(O)c(O)c2O)cs1 231695885 IWKDHMDPGJTUJU-UHFFFAOYSA-N 268.294 0.843 10 10 CCCE CCN(CC)S(=O)(=O)Nc1ccc(O)cc1N 233427984 YRQMREXOOLZQTP-UHFFFAOYSA-N 259.331 0.973 10 10 CCCE CNC(=O)NC[C@H]1CN(Cc2ccccc2O)CCO1 529643567 QNHNTAVWQPTWPM-LBPRGKRZSA-N 279.340 0.522 10 10 CCCE CC(=O)C(=O)COC(=O)c1cccc2nc(O)oc12 808530334 QWLBCANDWLCCTL-UHFFFAOYSA-N 263.205 0.848 10 10 CCCE CC(=O)C(=O)COC(=O)C1(C)COC(C)(C)OC1 808533708 XRLZMSWSEDOULD-UHFFFAOYSA-N 258.270 0.477 10 10 CCCE CN1CCc2cc([C@H](O)[C@@H]3CN4CCN3CC4)ccc21 2163061310 HETRNWXQWUWVJX-HOTGVXAUSA-N 273.380 0.712 10 10 CCCE Cc1nnn(C)c1[C@@H](O)[C@H](N)c1ccc(N(C)C)cc1 2163123298 KBNXSGFJWFRFLR-OCCSQVGLSA-N 275.356 0.923 10 10 CCCE CN1CCCc2cc([C@@H](NN)[C@@H]3CCS3(=O)=O)ccc21 2163161555 XSIJDMAZFZCOPT-UONOGXRCSA-N 295.408 0.761 10 10 CCCE CN[C@@H](C)c1ccc(N2CC(O)(C(=O)OC)C2)cc1O 714425137 CAYBQAAMPXLNJP-VIFPVBQESA-N 280.324 0.397 10 10 CCCE CN1C(=O)CC[C@@H](NCc2cc([N+](=O)[O-])ccc2O)C1=O 818233201 FWWOUOYTRDASKN-SNVBAGLBSA-N 293.279 0.537 10 10 CCCE CC(=O)C(=O)COC(=O)[C@@]1(c2ccccc2)CNC(=O)C1 811232964 NKYVPPXNIYESNL-OAHLLOKOSA-N 289.287 0.146 10 10 CCCE CCOc1cccc(CN2CCC(CO)(CO)C2)c1O 827474590 FXPAGECSUMTOEE-UHFFFAOYSA-N 281.352 0.968 10 10 CCCE COCCN(C)CCNC(=O)/C=C\c1ccc(O)c(O)c1 588408186 DBRPHVQSAMYVTE-XQRVVYSFSA-N 294.351 0.805 10 10 CCCE O=C(NCc1c(O)cccc1F)NC[C@@H]1COCCO1 914284860 KAOUMWBIWKDWNT-SECBINFHSA-N 284.287 0.746 10 10 CCCE COc1ccc(O)c(CNC(=O)CCc2cn(C)nn2)c1 830543793 FIBKHVASRSOMGC-UHFFFAOYSA-N 290.323 0.778 10 10 CCCE O=C(CCN1C(=O)CCC1=O)NCc1c(O)cccc1F 928711071 ZRNAATNTAQVZCN-UHFFFAOYSA-N 294.282 0.687 10 10 CCCE CCN(Cc1ccc(N)cc1)[C@@H]1CS(=O)(=O)C[C@H]1OC 696812045 BVEZLICZACQTBH-ZIAGYGMSSA-N 298.408 0.903 10 10 CCCE CON(C)C(=O)[C@H](C)NC(=O)c1cc(O)cs1 863632278 CIGACXHMSZAZDR-LURJTMIESA-N 258.299 0.592 10 10 CCCE Cc1nc(F)ccc1C=C1C(=O)N(C)C(=O)N(C)C1=O 779220492 CUKGEWCCSDQPEE-UHFFFAOYSA-N 277.255 0.963 10 10 CCCE COc1ccc(O)c(CNC(=O)C2(C(=O)N(C)C)CC2)c1 788298386 IJOZHTVGTZRLDP-UHFFFAOYSA-N 292.335 0.885 10 10 CCCE C[C@H](NC(=O)CN1CC(CN)C1)c1ccccc1O 1877589057 YIZZLVYGGAKXJZ-JTQLQIEISA-N 263.341 0.460 10 10 CCCE CNCc1ccc(N(CCO)CCOC)c(F)c1 164433317 PEDFGQOKFQMVAM-UHFFFAOYSA-N 256.321 0.990 10 10 CCCE COc1cccc(CN[C@@H]2CCOC[C@H]2CO)c1O 1878775436 QDCOEPULEDVUSM-VXGBXAGGSA-N 267.325 0.888 10 10 CCCE C[C@H]1COC[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 1156324098 GKYISCONSQYSEZ-WPRPVWTQSA-N 251.282 0.791 10 10 CCCE CC(C)[C@H](N)C(=O)NCc1ccc(O)c(O)c1O 83398137 SMSBNEVQDMLKRV-VIFPVBQESA-N 254.286 0.403 10 10 CCCE CNCc1nnc([C@H](N)c2ccc(OC)cc2O)o1 83463273 LTUZAQCLXDVTPG-LLVKDONJSA-N 264.285 0.551 10 10 CCCE CN(CCn1cccn1)c1ccc2c(c1)NC(=O)[C@H]2N 707669462 QWSRUZIHOGGCAA-ZDUSSCGKSA-N 271.324 0.971 10 10 CCCE CN(C)c1ccc(CNC(=O)[C@@H]2CO[C@@H](CN)C2)cc1 713819981 DHBCJZIWUFCULF-GXTWGEPZSA-N 277.368 0.733 10 10 CCCE CNCc1ccc(N2CC[C@](C)(O)[C@H](O)C2)c(F)c1 1893332991 WJRFCCIGASGNNI-KGLIPLIRSA-N 268.332 0.867 10 10 CCCE Nc1ccc(OCCNC(=O)N[C@H]2CCOC2)cc1 94889170 BQJHGJJFWWMYFQ-NSHDSACASA-N 265.313 0.736 10 10 CCCE Nc1ccc(OC[C@@H](O)CN2CC3(CCO3)C2)cc1 2115261584 KOPMYRHBSTUTHQ-LBPRGKRZSA-N 264.325 0.483 10 10 CCCE COc1ccc(N2C[C@@H](C)CNC(=O)[C@@H]2CN)cc1 216996499 SXSXLTFDGWADNG-GWCFXTLKSA-N 263.341 0.595 10 10 CCCE Oc1ccc(F)cc1CN[C@@]12CC[C@@H](C1)[C@H](O)[C@@H]2O 2120393110 AGMWFSCJSJWCNT-GZBPVQSJSA-N 267.300 0.895 10 10 CCCE O=C(Nn1ccccc1=O)c1c(F)ccc(O)c1O 1611100274 JNJQIODMBMZIIT-UHFFFAOYSA-N 264.212 0.783 10 10 CCCE Cc1cc(N2C[C@@H]3[C@@H](CO)CO[C@H]3C2)ccc1CN 2121595493 WRAXLOMEBWCSGQ-CFVMTHIKSA-N 262.353 0.897 10 10 CCCE O=C(NCc1ccc(O)cc1O)c1n[nH]cc1F 1639444719 XEMWIYFAHZGRQT-UHFFFAOYSA-N 251.217 0.890 10 10 CCCE N[C@H](Cc1ccc(O)c(O)c1)C(=O)O[C@H]1CC1(F)F 2126307077 KVSJQXITNMKTFL-XCBNKYQSSA-N 273.235 0.918 10 10 CCCE CN1CCN(c2ccc3c(c2)CC[C@H]3O)C[C@H]1CO 2128321877 LIUBJFONUOBQHW-DZGCQCFKSA-N 262.353 0.779 10 10 CCCE CO[C@@H]1C[C@@H](NC(=O)Nc2ccc(N)cc2)C[C@@H]1O 2130821473 JJODKVIHGFSFRL-SDDRHHMPSA-N 265.313 0.929 10 10 CCCE NCCN(C(=O)c1cc(O)c(O)c(O)c1)C1CCC1 2132412028 ZMLKKVKPHBRMEO-UHFFFAOYSA-N 266.297 0.757 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CCCC[C@@H]3CO)ccc21 218181595 BOZOSZUQINFVME-MFKMUULPSA-N 261.325 0.990 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCN(S(=O)(=O)N2CCC[C@H](O)C2)C1 1912187649 IXWKDVKHDZYHJF-UWVGGRQHSA-N 289.361 0.320 10 10 CCCE CS(=O)(=O)N1CCC(N)(c2ccccc2O)CC1 1920444081 JUUVVLYCAVGAEL-UHFFFAOYSA-N 270.354 0.602 10 10 CCCE COCCNC(=O)[C@H](C)NCc1cc(OC)ccc1O 228986565 CEFZGOGTTWJYGR-JTQLQIEISA-N 282.340 0.642 10 10 CCCE CCn1nnc(Br)c1[C@@H](O)C(=O)C(C)=O 1934957465 AMJVRZBPHSVUKZ-SSDOTTSWSA-N 276.090 0.252 10 10 CCCE NC(=O)[C@H]1CCN(C(=O)[C@H]2CNc3ccccc3N2)C1 236168306 FAIPBVDSHBBUNC-JOYOIKCWSA-N 274.324 0.226 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NCCNC1CC1 1969220621 BPVLQSGFIUJQPV-UHFFFAOYSA-N 250.298 0.509 10 10 CCCE Oc1ccc(-c2noc([C@@]3(O)CCCNC3)n2)cc1O 236581492 AKHIRJQEPZRVSU-CYBMUJFWSA-N 277.280 0.719 10 10 CCCE NC(=O)[C@@H]1CCCN(c2ccc3c(c2)NC(=O)[C@H]3N)C1 252411506 MWOYNIPSCMYVLT-PELKAZGASA-N 274.324 0.340 10 10 CCCE Nc1ccc(CC(=O)N2CCC[C@@H](OCCO)C2)cc1 1972199322 JAMLVDNVXDXUDC-CQSZACIVSA-N 278.352 0.811 10 10 CCCE NC1(CNC(=O)Cc2ccc(O)c(O)c2)CCOCC1 2144029284 HZMWWOZTDYRMQD-UHFFFAOYSA-N 280.324 0.264 10 10 CCCE COCCNCc1ccc(N(C)CC(CO)CO)cc1 2150417054 YXTDJCKNQKIHFJ-UHFFFAOYSA-N 282.384 0.460 10 10 CCCE C[C@H](NC(=O)Oc1ccc(N)cc1)S(C)(=O)=O 2024083927 IPXJVWUKNJLSMU-SSDOTTSWSA-N 258.299 0.748 10 10 CCCE C[C@@H](c1c(O)cccc1O)N1CC[C@H](NC(N)=O)C1 700699281 XTGDYOVPTDDTOW-IUCAKERBSA-N 265.313 0.901 10 10 CCCE Nc1ccc(CCN2C[C@H](CO)C[C@@H]2CO)cc1 2029370671 PJRIKQQFEXSPEI-TZMCWYRMSA-N 250.342 0.486 10 10 CCCE C[C@@H]1C[C@H](CO)CN1c1ccc2c(c1)N(C)C(=O)[C@H]2O 2156552766 OOYRPRPLHOLFBG-BFVZDQMLSA-N 276.336 0.904 10 10 CCCE C[C@H](CS(N)(=O)=O)N[C@@H]1CCc2cccc(O)c21 2035443536 DFAQTPIZFUBKIO-PSASIEDQSA-N 270.354 0.646 10 10 CCCE COc1ccc(N2C[C@H](O)[C@H]3COC[C@H]32)c(N)c1 2040598189 UDRFAKXIPSHPAM-BIMULSAOSA-N 250.298 0.473 10 10 CCCE COCCN1C[C@H](C(=O)NCCCCN=[N+]=[N-])CC1=O 701264338 SFZAPSGNEDFEQT-SNVBAGLBSA-N 283.332 0.688 10 10 CCCE O=C(N[C@@H]1CCO[C@H]1C(=O)O)c1cccc(O)c1O 702963041 LFZVIKOWZFVQGE-GMSGAONNSA-N 267.237 0.070 10 10 CCCE CN1CC(CNS(=O)(=O)Cc2ccc(N)cc2)C1 379476968 WWGALDCYKLHKGA-UHFFFAOYSA-N 269.370 0.250 10 10 CCCE C[C@@H]1OCCN[C@@H]1C(=O)N(C)Cc1ccccc1O 380845318 QPNGWODQKBMDCA-GWCFXTLKSA-N 264.325 0.728 10 10 CCCE C[C@H]1CNCCN(C(=O)c2cc(O)nc(O)c2)C1 385270829 PXZPSJZUEVLXJP-QMMMGPOBSA-N 251.286 0.174 10 10 CCCE C[C@H](NC(=O)c1ccc(O)c(O)c1)c1ncn(C)n1 392157356 IFSMATGLFNDGAY-ZETCQYMHSA-N 262.269 0.717 10 10 CCCE COc1ccc([C@H](C)N[C@@H]2CN(C)NC2=O)c(O)c1 393921464 JRLONNRACFMODO-GZMMTYOYSA-N 265.313 0.397 10 10 CCCE CO[C@H](CCO)CNC(=O)CCOc1ccc(N)cc1 2168514585 RVGQVAODMKJLLL-CYBMUJFWSA-N 282.340 0.551 10 10 CCCE C[C@H](N)c1ccc(N2CC3(CNS(=O)(=O)C3)C2)c(F)c1 2176157177 GVMISBBXHSUGIG-VIFPVBQESA-N 299.371 0.585 10 10 CCCE CC(C)[C@@H]1C(=O)NCCN1C(=O)c1cc(O)nc(O)c1 2170031538 SDVYZHFWOWJAJT-LLVKDONJSA-N 279.296 0.089 10 10 CCCE CCOC(=O)Cc1cc(O)n2ncc(C(=O)OC)c2n1 2080929497 CIAHNTUHDYFWNI-UHFFFAOYSA-N 279.252 0.327 10 10 CCCE Nc1ccc(CCN2CCN3C(=O)NC(=O)[C@H]3C2)cc1 2171302439 ICIWZZJCNNLTOS-GFCCVEGCSA-N 274.324 0.047 10 10 CCCE NC[C@H]1[C@H]2CN(C(=O)c3cc(O)c(O)c(O)c3)CC[C@@H]21 2188927030 CAKZOBKPWTZYMI-BBBLOLIVSA-N 278.308 0.470 10 10 CCCE N=C(NO)[C@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)C1 2188919479 NHJKHPDGSCDUQT-LURJTMIESA-N 281.268 0.222 10 10 CCCE N[C@@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)C12CCC2 2188908308 BPUDUIJAVZXBBI-LLVKDONJSA-N 278.308 0.899 10 10 CCCE CCn1nnc([C@@H](O)[C@H](N)c2ccc(N(C)C)cc2)n1 2197839171 WUNUHXOKDFXWED-NEPJUHHUSA-N 276.344 0.492 10 10 CCCE CNC(=O)OCCNC(=O)Nc1ccc(N)cc1 2042963910 ROQVPJNYWFAMKC-UHFFFAOYSA-N 252.274 0.746 10 10 CCCE CC(=O)c1cc(F)cc(CN2C[C@@H](O)CO2)c1O 2046533664 MCMQDPSVMOFVFR-SNVBAGLBSA-N 255.245 0.842 10 10 CCCE C[C@@H]1CCOCC[C@]1(NCCCN=[N+]=[N-])C(N)=O 2046712138 XNXUIXDADINEIE-MWLCHTKSSA-N 255.322 0.947 10 10 CCCE COC(=O)[C@](C)(NCCN=[N+]=[N-])[C@H](C)S(C)(=O)=O 2051105901 ROACOSJRISSROO-IONNQARKSA-N 278.334 0.251 10 10 CCCE CN(Cc1cc(F)ccc1O)C1(C(=O)O)COC1 2052924443 YJQBWGMVOJDKAZ-UHFFFAOYSA-N 255.245 0.817 10 10 CCCE O=S1(=O)C[C@@H]2[C@H](NCc3cccc(O)c3O)[C@@H]2C1 2054279167 XIFQAYXSVFFWSJ-DOFRTFSJSA-N 269.322 0.230 10 10 CCCE N[C@H]1CCN(Cc2cc(F)ccc2O)C[C@@H]1CO 2058551048 DRGHWOUHZKRFFV-PWSUYJOCSA-N 254.305 0.673 10 10 CCCE C[C@H](O)[C@H]1CCCN1C(=O)c1cc(O)nc(O)c1 2059501318 REXDTDITXDREEP-IONNQARKSA-N 252.270 0.478 10 10 CCCE COC(=O)NC[C@H]1CCN1C(=O)c1cccc(O)c1O 2187288365 KDWFNMAUMXQJIV-MRVPVSSYSA-N 280.280 0.668 10 10 CCCE C[C@@H](O)[C@H]1CCN1S(=O)(=O)Cc1ccc(N)cc1 2061818766 SUGSDYFYIWCCGW-BXKDBHETSA-N 270.354 0.554 10 10 CCCE C[C@H](c1ccccc1O)N(C)C(=O)[C@@H](O)CCN 2064284966 ODJPYLXRVKASCJ-SKDRFNHKSA-N 252.314 0.621 10 10 CCCE CN[C@@H](C)[C@@H](C)NC(=O)c1cc(O)c(O)c(O)c1 2068616498 AYQJIXCVMPZWMA-NKWVEPMBSA-N 254.286 0.530 10 10 CCCE Oc1ccc(CN2CCN[C@H]3COC[C@H]32)cc1O 2068830871 KLIYFCAYDKVTDF-WDEREUQCSA-N 250.298 0.270 10 10 CCCE Nc1ccc(NC(=O)NC[C@H]2CNCCO2)cc1 2071558937 SXHOOOKONUYMSH-LLVKDONJSA-N 250.302 0.379 10 10 CCCE COC[C@@](C)(CO)N(C)c1ccc(CO)c([N+](=O)[O-])c1 2188577065 LIIUWYREZQLQSN-CYBMUJFWSA-N 284.312 0.921 10 10 CCCE Nc1ccc(NC(=O)N[C@@H]2CO[C@]3(CCNC3)C2)cc1 2201728328 AFTHBTBIFYMXRI-GXTWGEPZSA-N 276.340 0.911 10 10 CCCE N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc(O)nc(O)c1)C2 2088293966 HHTAQCIGJFHIAE-SFGNSQDASA-N 263.297 0.445 10 10 CCCE COc1ccc(N2C[C@@H]3CCS(=O)(=O)[C@H]3C2)c(N)c1 2088818262 BCNJBVIONLMDAQ-ZANVPECISA-N 282.365 0.901 10 10 CCCE CN(C)c1ccc([C@H](O)[C@@H]2CCN(C)S2(=O)=O)cc1 2089511034 OFHJVMWOUNILOP-STQMWFEESA-N 284.381 0.820 10 10 CCCE O=C(O)CC[C@@H](O)CNC(=O)c1ccc(O)c(O)c1 2110234461 NAWTVKNBMSNOCU-MRVPVSSYSA-N 269.253 0.053 10 10 CCCE C[C@H](N)c1ccc(N2CCOC[C@@H]2[C@H](O)CO)cc1 2090135803 KEEGIWNSTWELNY-ZLKJLUDKSA-N 266.341 0.265 10 10 CCCE C[C@@H]1CCN(C(=O)Nc2ccc(N)cc2)[C@@H]1C(N)=O 2090256471 OWSPYYQMCFCZLV-KCJUWKMLSA-N 262.313 0.996 10 10 CCCE CCN[C@H](c1ccccc1O)[C@H](O)c1cn(C)nn1 2091863837 PTVXHOUBZGQHRU-CHWSQXEVSA-N 262.313 0.905 10 10 CCCE CN[C@H](c1ccccc1O)[C@@](C)(O)C1CS(=O)(=O)C1 2091869362 YDEXBQZNIBHKAY-OLZOCXBDSA-N 285.365 0.448 10 10 CCCE CN(C)c1ccc([C@H](O)[C@@H](N)c2cnnn2C)cc1 2091914584 WVJGGFVCKOZCLX-STQMWFEESA-N 261.329 0.615 10 10 CCCE O=C(Cn1ccc2c(c1=O)CNCC2)N1CCCC1 2094407554 RKJQAZACUINGGJ-UHFFFAOYSA-N 261.325 0.116 10 10 CCCE CN1C(=O)[C@@H](O)c2ccc(N3CC(CCO)C3)cc21 2095988606 NNMZGIZUCIYBGY-ZDUSSCGKSA-N 262.309 0.515 10 10 CCCE CN1CC2(C1)CN(c1ccc3c(c1)NC(=O)[C@H]3O)C2 2095930434 FDOKBWSMAGMRBD-LBPRGKRZSA-N 259.309 0.424 10 10 CCCE Nc1ccc(O)c(CN2CC[C@](CO)(CCO)C2)c1 2097025193 RKIWKEGPORJTLM-AWEZNQCLSA-N 266.341 0.541 10 10 CCCE O=C(NC1CN(CC2CC2)C1)c1cccc(O)c1O 2097240829 FDVMKCCSXOVZGU-UHFFFAOYSA-N 262.309 0.922 10 10 CCCE O=C(NC[C@@H]1C[C@@H](O)CCO1)c1ccc(O)c(O)c1 2097947302 XADTVHCOTDSUAU-UWVGGRQHSA-N 267.281 0.368 10 10 CCCE Oc1ccc(CN[C@H]2COC3(CCC3)[C@H]2O)c(O)c1O 2206477942 LNHWCYDPZMZCMJ-ZANVPECISA-N 281.308 0.575 10 10 CCCE CN(C)c1ccc(CN[C@@H]2COC[C@@H]2S(C)(=O)=O)cc1 2207468138 YWMOCQYNMVWKAE-KGLIPLIRSA-N 298.408 0.654 10 10 CCCE NCc1ccc(N2CCNCCNCC2)cc1Cl 2220630274 GAIBIEXSXFUZKC-UHFFFAOYSA-N 268.792 0.798 10 10 CCCE C[C@@H]1Cc2cc(N3CCN(CCO)C(=O)C3)ccc2O1 2235064869 NRYQHBXWHNTZMJ-LLVKDONJSA-N 276.336 0.651 10 10 CCCE CN1CCc2cc(N3C[C@@H]4CN[C@@H](CO)[C@@H]4C3)ccc21 2235573385 FFBWOODFWJGDRH-CFVMTHIKSA-N 273.380 0.695 10 10 CCCE COc1ccc(N2CC[C@](O)(CN(C)C)C2)c(CN)c1 2235956309 XRFRFVNNIJEMTF-HNNXBMFYSA-N 279.384 0.657 10 10 CCCE COc1ccc(N2C[C@H]3[C@@H](C2)OCCN3C)c(CN)c1 2235968546 STLUZRDLXJPJSU-LSDHHAIUSA-N 277.368 0.673 10 10 CCCE CNCc1cc(OC)ccc1N1C[C@@H]2OC(=O)N[C@@H]2C1 2235961422 YPZGJSUGPIPNPJ-YPMHNXCESA-N 277.324 0.712 10 10 CCCE OC[C@H]1CN(c2ccc3c(c2)COCC3)CC[C@H]1O 2226708663 OXAZCICOXRZNEZ-UKRRQHHQSA-N 263.337 0.939 10 10 CCCE COc1ccc(N(C)CCS(C)(=O)=O)c(C(=O)O)c1 2227663935 CBUUUGMWOOLZEQ-UHFFFAOYSA-N 287.337 0.874 10 10 CCCE C[C@]1(CO)C=CCN1C(=O)Cc1ccc(O)c(O)c1 2228771641 NYBBSVZIUSNJCP-CQSZACIVSA-N 263.293 0.790 10 10 CCCE Nc1ccc(O)c(CN2CC[C@H](O)[C@H](O)CC2)c1 2256963209 DESJELSPVGXWQI-BETUJISGSA-N 252.314 0.292 10 10 CCCE C[C@@H](C(=O)Nc1ccc(N)cc1)[S@](=O)CC1COC1 2271332153 PQNQMXZZQNJIJZ-ZRNGKTOUSA-N 282.365 0.991 10 10 CCCE NCc1ccc(N2C[C@@H]3OCC[C@]3(CO)C2)cc1F 2278892496 JPYSDGTYOTVHIG-UONOGXRCSA-N 266.316 0.872 10 10 CCCE Nc1ccc(CC(=O)N2C[C@@H](O)CC[C@@H]2C(=O)O)cc1 2279213490 SWAXUOSASUBWJP-NWDGAFQWSA-N 278.308 0.248 10 10 CCCE Cc1cc(N2CC3(CNC(=O)N3)C2)ccc1[C@@H](C)O 2269680882 GCIXXURMJLGXCD-SNVBAGLBSA-N 261.325 0.920 10 10 CCCE CCc1nn[nH]c1CNC(=O)c1cc(O)c(O)c(O)c1 2290365183 FJIMBIJLAHQSJC-UHFFFAOYSA-N 278.268 0.414 10 10 CCCE COc1ccc(O)c(CNCc2noc(C(N)=O)n2)c1 2285749608 IBISMDKFWQIYOC-UHFFFAOYSA-N 278.268 0.173 10 10 CCCE Cn1ncc([C@@H](O)c2ccc(N3CCNCC3)cc2)n1 2286071671 QVAWLUVVDFSBEB-AWEZNQCLSA-N 273.340 0.306 10 10 CCCE C[C@H](N=c1[nH]ccnc1S(N)(=O)=O)c1ccccc1O 2286435890 XSLSTXVFXMZSDS-QMMMGPOBSA-N 294.336 0.425 10 10 CCCE O=C(O)[C@@]12CC[C@@H](CN(Cc3c(O)cccc3F)C1)N2 2287383957 HSQIASVTHFUMQQ-LKFCYVNXSA-N 280.299 0.922 10 10 CCCE CC[C@@H](O)c1ccc(N2C[C@H](O)[C@H](O)[C@@H](CO)C2)cc1 2289357541 IHXJVSXJQLPCHY-REBRKWNGSA-N 281.352 0.280 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)C[C@@H]2N[C@@H]3CC[C@H]2C3)C1 2309914139 FJYAYSUIANWHPP-NGDQXYMTSA-N 250.342 0.783 10 10 CCCE NCc1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CF)c(F)c1 2311999728 YTNGESWZTKCKDU-TUAOUCFPSA-N 258.268 0.164 10 10 CCCE [N-]=[N+]=NCCCNC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)O 2333613117 LVHLMIJDZOCHJA-XAVMHZPKSA-N 268.273 0.681 10 10 CCCE [N-]=[N+]=NC1CCN(C(=O)[C@@H]2COC[C@@H]2C(=O)O)CC1 2338347960 NKLOFFIPILYOCU-BDAKNGLRSA-N 268.273 0.635 10 10 CCCE CN(C)CC1(O)CN(CCCc2ccc(N)cc2)C1 2343637574 PTTLWHTUVOFEAW-UHFFFAOYSA-N 263.385 0.810 10 10 CCCE CC[C@@](CN)(NCc1ccc2c(c1)CCO2)C(=O)O 2349082545 RQJKDLGGEUMVOX-AWEZNQCLSA-N 264.325 0.903 10 10 CCCE O=C(NCc1ccccc1O)[C@H]1CCn2ncnc2C1 1953112301 MJXQIVVVOGKOHE-JTQLQIEISA-N 272.308 0.863 10 10 CCCE CCNC(=O)CN(C)[C@@H](C)C(=O)Nc1ccc(N)cc1 49725735 KEZMSPGDOBVCTQ-JTQLQIEISA-N 278.356 0.664 10 10 CCCE COc1ccc(N2CC[C@@H](O)[C@H](C(=O)O)C2)cc1OC 606606831 QVXOEDXYLRTAGB-GHMZBOCLSA-N 281.308 0.976 10 10 CCCE CO[C@H](C)[C@H](CC(=O)O)NC(=O)c1ccc(O)c(O)c1 2165787715 UORRAEBWNQISPG-APPZFPTMSA-N 283.280 0.706 10 10 CCCE CC(=O)C(=O)COC(=O)[C@@H](C)NC(=O)c1ccoc1 808506524 KUSHHLLHDHOFSU-SSDOTTSWSA-N 267.237 0.099 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@@H]3C[C@H](C[C@@H]3O)C2)cc1 2163567468 YZAVWVBLTLXXND-DYEKYZERSA-N 296.392 0.801 10 10 CCCE O=C(NCC[C@]1(O)CCOC1)NCc1ccccc1O 844935539 DTUDRROOYGDMKM-AWEZNQCLSA-N 280.324 0.733 10 10 CCCE COC[C@@H]1C[C@@H](O)CN1Cc1cc2c(cc1O)OCO2 846047045 IDBISCZVTPMGOE-WDEREUQCSA-N 281.308 0.703 10 10 CCCE CN1CCN(c2ccc(CO)cc2F)[C@@H](CO)C1 699536668 KUFXZTZZLMSRAF-LLVKDONJSA-N 254.305 0.431 10 10 CCCE C[C@@H]1CN2CCN1C[C@@H]2C(=O)N1Cc2cccc(O)c2C1 1123947587 UONCCYJOLIYUGB-BXUZGUMPSA-N 287.363 0.623 10 10 CCCE Nc1ccc(OCC(=O)N2CCNCC23CC3)cc1 1876441624 DAOBGNVVGKBGNY-UHFFFAOYSA-N 261.325 0.612 10 10 CCCE O=S(=O)(NCc1ccccc1O)C1CCNCC1 687254968 DXSJXNIIVHRDRZ-UHFFFAOYSA-N 270.354 0.564 10 10 CCCE CC(C)[C@H]1COC[C@@]1(NCCCN=[N+]=[N-])C(N)=O 710999015 LUXPANOXBRZJAL-KOLCDFICSA-N 255.322 0.803 10 10 CCCE COc1cccc(CNC(=O)C[C@@H]2CC(=O)NC2=O)c1O 1294925638 RYKJUQMTOMITER-SECBINFHSA-N 292.291 0.070 10 10 CCCE O=C(CCN1C(=O)CSC1=S)NCC(F)(F)F 1865765659 IVPBUCWTQOUDGL-UHFFFAOYSA-N 286.300 0.915 10 10 CCCE O=C(O)C[C@@H]1C(=O)NN(c2cccc(F)c2)C1=O 106653737 SYWIQLLLPOQLPI-MRVPVSSYSA-N 252.201 0.294 10 10 CCCE O=C(NCc1ccc(O)cc1O)c1ccn2nnnc2c1 1639444269 FCOASJUJQXCXGK-UHFFFAOYSA-N 285.263 0.466 10 10 CCCE O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H](O)c1cnc[nH]1 1638147335 CTEICGBLLNKFTI-CXLRFSCWSA-N 289.291 0.684 10 10 CCCE CNC(=O)Cc1noc(CN[C@@H](C)c2ccccc2O)n1 1648053931 JKYSMRWKWQBPTR-VIFPVBQESA-N 290.323 0.915 10 10 CCCE CC(C)(C)OC(=O)CNC(=O)c1cc(O)nc(O)c1 2124231800 ZOOQCTZZKJQSOZ-UHFFFAOYSA-N 268.269 0.564 10 10 CCCE CO[C@@H]1CCOC[C@H]1NC(=O)Cc1ccc(O)c(O)c1 1652672174 BYXKZPRTDRSGPW-ZWNOBZJWSA-N 281.308 0.560 10 10 CCCE CN1CC[C@@](O)(CNCc2ccc(F)cc2O)C1 1964582171 BQIIPEVQZVRXOV-CYBMUJFWSA-N 254.305 0.688 10 10 CCCE O=C(CN1CCOC[C@@H]1CF)c1ccc(O)c(O)c1 2126173554 ZNIXWPCSLAMUIM-JTQLQIEISA-N 269.272 0.951 10 10 CCCE C[C@@H]1CN(C(=O)CCc2ccc(N)cc2)C[C@H](CO)O1 229936779 CNPXHAMOVLSNKE-BXUZGUMPSA-N 278.352 0.810 10 10 CCCE CS[C@@H](C)CNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 162800895 NNSDGLRSIGNTRA-WPRPVWTQSA-N 284.381 0.835 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@H](O)C2(CC2)C1 2132348442 LPTGSKMXHJUFLA-JTQLQIEISA-N 265.265 0.400 10 10 CCCE O[C@@H]1CN(c2ccc3c(c2)CC[C@H]3O)[C@H]2COC[C@H]12 2128315002 MYMDVSGYTAAKQM-BYNSBNAKSA-N 261.321 0.862 10 10 CCCE Oc1ccc(CN2CCO[C@@H]3CCNC[C@H]32)c(O)c1 2129070521 DYUZSTKDRCTZEF-TZMCWYRMSA-N 264.325 0.661 10 10 CCCE N[C@@H]1CC(C(=O)N2CCOc3ccccc32)=C[C@H]1O 2131474640 HNSZPFNPRXXITE-ZYHUDNBSSA-N 260.293 0.430 10 10 CCCE COC[C@H](C)OC[C@@H](O)CN1CC[C@H](N=[N+]=[N-])C1 1912182051 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COc1cc(N2CCN(CCO)CC2)ccc1CN 2139690244 XYLVGIMPSOAPNB-UHFFFAOYSA-N 265.357 0.268 10 10 CCCE Nc1ccc(CO[C@@H]2CC(CO)(CO)C[C@@H]2O)cc1 2141459789 AXVQIZUUHINOJP-QWHCGFSZSA-N 267.325 0.280 10 10 CCCE CNCc1ccc(N2CCOC[C@@H]2[C@@H](O)CO)cc1C 2146328089 CQGYSNBQVFNZCB-CABCVRRESA-N 280.368 0.273 10 10 CCCE C[C@@H]1CCN(S(=O)(=O)Cc2ccc(N)cc2)[C@H]1C(N)=O 2146456000 FFLDYNFPHIIJAV-BXKDBHETSA-N 297.380 0.294 10 10 CCCE COC(=O)[C@H](N)CC(C)(C)c1cc(O)nc(O)c1 1952536230 SUAPBSCRUAWKHM-MRVPVSSYSA-N 254.286 0.661 10 10 CCCE CC(=O)N[C@H]1CCN(c2ccc3c(c2)NC(=O)[C@H]3N)C1 252800366 WPXCFBKFTLTCHL-ZANVPECISA-N 274.324 0.353 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CCOC[C@H]3CO)c(Cl)cc21 253076363 RFMDLKSXOWNDKS-KRTXAFLBSA-N 297.742 0.489 10 10 CCCE Nc1ccc(CC(=O)N2CCN3C(=O)CC[C@H]3C2)cc1 168337373 WNUQTEWPIDBBFX-ZDUSSCGKSA-N 273.336 0.645 10 10 CCCE C[C@]1(CO)CN(Cc2ccccc2O)C(=O)CO1 258135268 XAZCBMKDEACYJK-CYBMUJFWSA-N 251.282 0.502 10 10 CCCE CN(C[C@H]1COCCO1)c1ccc2c(c1)NC(=O)[C@H]2N 2143685453 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CC(F)(F)C(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 328524535 SUSINPKGPAJQSN-SSDOTTSWSA-N 289.234 0.865 10 10 CCCE CCOC(=O)[C@@]1(NCCCN=[N+]=[N-])CCCNC(=O)C1 2160173732 WRCKKSQENFKFGA-GFCCVEGCSA-N 283.332 0.878 10 10 CCCE Nc1ccc(CS(=O)(=O)NC[C@H]2CCNC(=O)C2)cc1 2161586729 WWEVJJOKGPNKMQ-NSHDSACASA-N 297.380 0.214 10 10 CCCE NCc1cc(F)c(N2CCN(CC(N)=O)CC2)c(F)c1 700775121 WDXUTQRMGGDCLK-UHFFFAOYSA-N 284.310 0.031 10 10 CCCE NC(=O)[C@@H]1CCCN1c1ccc2c(c1)NC(=O)[C@H]2N 701653775 CAVUVFWFIPVJJD-QWRGUYRKSA-N 260.297 0.093 10 10 CCCE O=C(NC1CCC2(CC1)OCCO2)c1cc(O)nc(O)c1 706370725 JAJSDPXITHFETI-UHFFFAOYSA-N 294.307 0.908 10 10 CCCE C[C@H](N[C@@H]1COCC[C@H]1O)c1ccc(O)cc1O 710889639 MOTHOIDQQOTLEE-XXILOJSOSA-N 253.298 0.898 10 10 CCCE CNC(=O)CC1CN(CC(=O)Nc2ccc(N)cc2)C1 382075958 HDMSOHIWVVWGIG-UHFFFAOYSA-N 276.340 0.275 10 10 CCCE Cc1c(CN)c(NC(=O)c2cc(O)nc(O)c2)nn1C 693521982 KCUSYVISIWQQPQ-UHFFFAOYSA-N 277.284 0.246 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3CC(O)(C4CC4)C3)ccc21 384042566 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N[C@H]1C[C@@H](O)CN(c2ccc3c(c2)OCCO3)C1 2049115234 ZHJXFVJAOBZZQT-GXSJLCMTSA-N 250.298 0.356 10 10 CCCE N[C@@H]1CCc2cc(N3CC[C@H](N4CC(O)C4)C3)ccc21 2184725725 KYHKOHOBJXSRKF-XJKSGUPXSA-N 273.380 0.888 10 10 CCCE C[C@@H](O)[C@@H](N)C(=O)N(C)[C@H](C)c1ccccc1O 2054734438 LRQWJHWYWBNPRO-KBVBSXBZSA-N 252.314 0.620 10 10 CCCE C[C@H]1C[C@@]1(NC(=O)c1ccc(O)c(O)c1)C(=O)O 2058219452 BZHQUWFDLMGOPI-QTTZVWFDSA-N 251.238 0.691 10 10 CCCE COc1cccc(CNC[C@@H]2CNC(=O)O2)c1O 2066429465 XHIOBQZCCFCSDL-SECBINFHSA-N 252.270 0.599 10 10 CCCE C[C@@H](N)CCCNS(=O)(=O)Cc1ccc(N)cc1 2071659710 GETCUSFOXGOWEF-SNVBAGLBSA-N 271.386 0.816 10 10 CCCE Nc1ccc(CCN2CC[C@H](O)C[C@H]2CO)cc1 2080492665 UFDVACKUKKAQGP-KBPBESRZSA-N 250.342 0.629 10 10 CCCE C[C@@]1(O)CN(c2ccc(CN)cc2F)CC[C@@H]1O 2081721159 FZBANUNHXZEYIP-QWHCGFSZSA-N 254.305 0.606 10 10 CCCE CNCc1ccc(N2CC[C@@H](O)[C@@](C)(O)C2)cc1 2081717503 WRYXIGAAXNUGMH-KGLIPLIRSA-N 250.342 0.728 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NCC[C@H](F)C(=O)O 2102197237 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[N-]=[N+]=NCCCN1C[C@@H]2[C@H]3C[C@@H]([C@H](O)[C@@H]3O)[C@@H]2C1 2221343436 WNTMPLRJJSYNTM-MOCCIAMBSA-N 252.318 0.606 10 10 CCCE O=C(NCC[C@@H]1CC(F)(F)CN1)c1cc(O)nc(O)c1 2234599654 RORWHYQOHZZPSE-MRVPVSSYSA-N 287.266 0.610 10 10 CCCE OC[C@]1(O)CCN(c2ccc(OC3CC3)cc2)C[C@@H]1O 2235098934 LTLRCIAZMPSOQW-LSDHHAIUSA-N 279.336 0.522 10 10 CCCE OC[C@H](O)[C@H]1COCCN1c1ccc2c(c1)OCCO2 2235112807 KCPZKAVTTCSRAY-NEPJUHHUSA-N 281.308 0.016 10 10 CCCE CNCc1cc(OC)ccc1N1C[C@@H]2NC(=O)O[C@@H]2C1 2235961419 YPZGJSUGPIPNPJ-WCQYABFASA-N 277.324 0.712 10 10 CCCE COc1ccc(N2CC3(CNC(=O)C3)C2)c(CN)c1 2227683673 XTRNBHOIGNBVQT-UHFFFAOYSA-N 261.325 0.480 10 10 CCCE C[C@@H](CNC(=O)Nc1ccc(N)cc1)[C@]1(O)CCNC1 2238406717 AJGCICBGJZPUCT-HZMBPMFUSA-N 278.356 0.751 10 10 CCCE CCN[C@H](C(N)=O)[C@@H](C)N(C)c1ccc(OC)cc1 2264356774 QETUUDFJHDAJCU-MFKMUULPSA-N 265.357 0.983 10 10 CCCE O=C(O)[C@H]1CC[C@@H](O)CN1Cc1ccc(O)c(O)c1 2264524030 ICTMTQRTZQBQCZ-NXEZZACHSA-N 267.281 0.508 10 10 CCCE 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C[C@@H]1C[C@](NCCCN=[N+]=[N-])(C(N)=O)[C@H](C)CN1 1912198503 HHWTULHIVUNWKD-FXPVBKGRSA-N 254.338 0.518 10 10 CCCE C[C@@H]1OCCO[C@H]1C(=O)N1CC[C@@H](CN=[N+]=[N-])C1 1912179202 SALPFDAIDQQDTL-LPEHRKFASA-N 254.290 0.949 10 10 CCCE C[C@H](O)[C@@H]1C[C@H](N)CN(c2ccc3c(c2)OCO3)C1 108216653 UPUUNGAXGLWNDR-AXFHLTTASA-N 264.325 0.950 10 10 CCCE COc1cc(N2CC[C@@H](NC(C)=O)C2)ccc1CN 2139685838 RZLASNGKZMEBSI-GFCCVEGCSA-N 263.341 0.869 10 10 CCCE COC[C@H](O)CN(C)[C@H](C)C(=O)Nc1ccc(N)cc1 251552803 NYPVROMZBHEHEC-ZWNOBZJWSA-N 281.356 0.535 10 10 CCCE CN1CCCc2cc(N3CC(=O)NC(=O)C3)ccc21 1916098517 ZLMVDQJLNCRJPJ-UHFFFAOYSA-N 259.309 0.532 10 10 CCCE CNCc1ccc(N2CC[C@H]3C[C@H]2[C@H](O)[C@H]3O)cc1 2134817695 SYXFKTVAXVBCSE-MXAVVETBSA-N 262.353 0.726 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CCC(CO)CC1 227041464 GWBYIVAKDIBPOT-UHFFFAOYSA-N 251.282 0.942 10 10 CCCE CN(C)[C@@H]1COC[C@H]1CNCc1ccc(O)cc1O 1924652674 OJAADMOSYISROZ-DGCLKSJQSA-N 266.341 0.764 10 10 CCCE O=C(N[C@@H]1CN[C@@H]2CCC[C@H]12)c1ccc(O)c(O)c1 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Nc1ccc(N2CCCC[C@@H]2CS(N)(=O)=O)cc1 694869803 AOUGVYQOXHWREQ-GFCCVEGCSA-N 269.370 0.916 10 10 CCCE NCc1ccc(N(CCO)CCCO)c(F)c1F 385364323 IJPHDHRNBQFEOY-UHFFFAOYSA-N 260.284 0.605 10 10 CCCE CCOC(=O)[C@]1(NCCN=[N+]=[N-])CCS(=O)(=O)[C@@H]1C 389167221 HQWRAUULEJCAMW-SCZZXKLOSA-N 290.345 0.395 10 10 CCCE COc1ccc(CN[C@@H]2CCN(C(N)=O)C2)c(O)c1 393276910 DTMDZFVOLHWLQG-SNVBAGLBSA-N 265.313 0.643 10 10 CCCE COc1ccc(N2CCN(CCN)CC2)c(N)c1 2071602683 DGJNTPSJXNLNCD-UHFFFAOYSA-N 250.346 0.358 10 10 CCCE O=C(O)c1ccnn1Cc1c(O)cc(O)cc1O 2069934840 JRWSWJQQQKCCCW-UHFFFAOYSA-N 250.210 0.746 10 10 CCCE Nc1ccc(CCN=c2cc(N)n3[nH]cnc3n2)cc1 2173818088 HYXBGBSGPKTMRX-UHFFFAOYSA-N 269.312 0.365 10 10 CCCE [N-]=[N+]=NCC1(CNC(=O)c2cn3cnnc3cn2)CC1 2174355819 QHVIUJRUPPBTOG-UHFFFAOYSA-N 272.272 0.945 10 10 CCCE Nc1ccc(OCC(=O)NCC2(F)CC(CO)C2)cc1 2168694085 UXMBOBGQWWFXIJ-UHFFFAOYSA-N 282.315 0.874 10 10 CCCE Nc1ccc(OCC(=O)NCCO[C@H]2CCNC2)cc1 2191658408 IQXITVDMQGUZJU-ZDUSSCGKSA-N 279.340 0.142 10 10 CCCE 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CO[C@@H]1CS(=O)(=O)C[C@H]1NCc1cccc(F)c1O 697277608 KETAXEPQCFABGG-GHMZBOCLSA-N 289.328 0.433 10 10 CCCE COc1cccc(O)c1CN1CCNC(=O)CC1 769325890 CKKGBUMNZUZGJJ-UHFFFAOYSA-N 250.298 0.723 10 10 CCCE COc1cccc(O)c1CN1CCN(CCO)[C@H](C)C1 779214829 UZIMQKKTYVVYPP-GFCCVEGCSA-N 280.368 0.899 10 10 CCCE CC1(CNC(=O)COc2ccc(N)cc2)CC(N)C1 1876433422 BIMUNEWVGHJZOW-UHFFFAOYSA-N 263.341 0.891 10 10 CCCE C[C@@]1(NC(=O)CCOc2ccc(N)cc2)CCNC1 1876429758 MSPWIKJGHOSZEW-CQSZACIVSA-N 263.341 0.906 10 10 CCCE CNC(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1 786037137 MCUWXWVYQMTOCP-UHFFFAOYSA-N 290.367 0.784 10 10 CCCE CN(C)c1ccc(CNC(=O)[C@H]2C[C@H]2C(N)=O)cc1 1135642490 IAAPMVFXFYJLBS-NEPJUHHUSA-N 261.325 0.490 10 10 CCCE C[C@H](NC(=O)C[C@H]1COC[C@H]1N)c1ccccc1O 1877586901 CYLZOOPCNHHUDQ-JBLDHEPKSA-N 264.325 0.933 10 10 CCCE O=C1C[C@@]2(CCN(C(=O)c3cc(O)cs3)C2)CN1 791027531 ALGNFNPNMKSOBW-LBPRGKRZSA-N 266.322 0.806 10 10 CCCE O=C(N[C@H]1CCOC[C@@H]1CO)c1cccc(O)c1O 1878694839 BAYQRSNENUCUKF-WPRPVWTQSA-N 267.281 0.225 10 10 CCCE CC1(C)[C@@H](CNC(=O)c2cc(O)nc(O)c2)C[C@H]1N 1885867574 WBCYDDNVUJBVBT-RKDXNWHRSA-N 265.313 0.596 10 10 CCCE COC(=O)/C=C/[C@H]1NCCc2c1cc(O)c(O)c2O 75818931 VMUGMOPTQLYJCN-GKQMSVHHSA-N 265.265 0.719 10 10 CCCE COc1cccc(CN2CCN(C)[C@H](C(=O)O)C2)c1O 686101298 KNKCSCQIXRMPAG-NSHDSACASA-N 280.324 0.601 10 10 CCCE COC[C@](C)(CO)N(C)C(=O)c1cccc(O)c1O 689306370 HPXPVENZRKADHZ-ZDUSSCGKSA-N 269.297 0.567 10 10 CCCE CN(C[C@H](O)COc1ccc(N)cc1)C[C@H](O)C1CC1 690296384 VEQITYOEFWHVJE-ZFWWWQNUSA-N 280.368 0.711 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CCS[C@@H](CCO)C3)ccc21 720069901 XYPBOOPOHRONJS-GWCFXTLKSA-N 293.392 0.943 10 10 CCCE COc1ccc2c(c1)NC(=O)[C@H]1CS(=O)(=O)CCN21 97828886 FXEXNPZYHFSAGY-LLVKDONJSA-N 282.321 0.251 10 10 CCCE CN=c1cc(C)[nH]c(=NCCc2ccc(N)cc2)[nH]1 2117372902 MSQYSGVNIYKQHM-UHFFFAOYSA-N 257.341 0.907 10 10 CCCE COc1cccc(O)c1CN[C@@H]1[C@H]2CS(=O)(=O)C[C@H]21 2118019405 SVZMCQOWHPJIBE-IWIIMEHWSA-N 283.349 0.533 10 10 CCCE Cc1ccc(O)c(CNC(=O)/C=C/C(=O)N(C)C)c1 1557552127 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Oc1ccc(CN[C@@H]2CN3CC[C@H]2C3)c(O)c1O 2040901064 YEHFTEXJXPASFT-VHSXEESVSA-N 250.298 0.597 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CCN(CCF)CC3)ccc21 402728870 FUTMYPXCJVGPII-ZDUSSCGKSA-N 278.331 0.730 10 10 CCCE CO[C@H]1C[C@](NCCN=[N+]=[N-])(C(N)=O)C12CCC2 308416220 KWRLZFLUEXKBHN-KWQFWETISA-N 253.306 0.699 10 10 CCCE CNCc1ccc(N2CCN3C[C@@H](O)C[C@@H]3C2)cc1 405681043 METQABGCDZEBAX-CABCVRRESA-N 261.369 0.661 10 10 CCCE NC(=O)COCCN[C@@H]1CCc2cccc(O)c21 311172512 ROZUEJQUSLDVFQ-SNVBAGLBSA-N 250.298 0.471 10 10 CCCE CCOC[C@@H](O)CNC(=O)COc1ccc(N)cc1 311438184 ORPPKCFMEZLMKM-NSHDSACASA-N 268.313 0.161 10 10 CCCE COC(=O)[C@]1(NCCN=[N+]=[N-])CC(=O)N2CCCC[C@H]21 312462971 SXEMTLNMJFJMNU-CABZTGNLSA-N 281.316 0.583 10 10 CCCE CNC(=O)C[C@@H](C)NC(=O)c1ccc(O)c(O)c1 323203489 GVHFORAELFWBLV-SSDOTTSWSA-N 252.270 0.352 10 10 CCCE Nc1ccc(CCC(=O)OCCn2cnnn2)cc1 711849571 SIYPCBRUBQXRRI-UHFFFAOYSA-N 261.285 0.431 10 10 CCCE CN(CCO)CCN(C)c1c(F)cc(CO)cc1F 691263277 YDZQVVJACJILNU-UHFFFAOYSA-N 274.311 0.817 10 10 CCCE C[C@H]1[C@H](CO)CCN1C(=O)c1cccc(O)c1O 385961765 YYWHYIYFFOXURD-IUCAKERBSA-N 251.282 0.941 10 10 CCCE CN[C@H](C)c1ccc(N2C[C@@H](O)C[C@]2(C)CO)cc1O 698146801 JDCMLDGROSCEES-IFUGULHKSA-N 280.368 0.995 10 10 CCCE Nc1ccc(OCCNC(=O)c2ccncn2)cc1 396874455 CPSHOPQMZCXRDQ-UHFFFAOYSA-N 258.281 0.868 10 10 CCCE C[C@H](O)c1ccc(N2C[C@@H]3OC[C@@H](CO)[C@@H]3C2)cc1O 2178086353 KRGNQYCUYWSDPP-FJHTZYQYSA-N 279.336 0.889 10 10 CCCE CCNC(=O)C1CN(c2ccc3c(c2)NC(=O)[C@@H]3O)C1 2168050198 WMFYCKPIHPENCB-GFCCVEGCSA-N 275.308 0.244 10 10 CCCE C[C@]1(CO)COCCN1C(=O)CCc1ccc(N)cc1 2169064568 UIUSZMKIWXFDLD-HNNXBMFYSA-N 278.352 0.811 10 10 CCCE CCOC(=O)[C@]1(NCCCN=[N+]=[N-])CCN(C)C(=O)C1 2188494084 KYQUHSOXTCNBOA-LBPRGKRZSA-N 283.332 0.831 10 10 CCCE O=C(N[C@H]1CCN(C2CC2)C1)c1cc(O)c(O)c(O)c1 2188874542 IEFJILFYVYLODZ-VIFPVBQESA-N 278.308 0.770 10 10 CCCE O=C(NC[C@H]1CC(F)(F)CN1)c1cc(O)c(O)c(O)c1 2188918393 DQPWZHSSHUAVAQ-SSDOTTSWSA-N 288.250 0.530 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3C[C@@H](O)C[C@H](O)C3)c(Cl)cc21 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C[C@@H](N)c1cc(F)c(N(C)[C@@H]2CC(=O)NC2=O)c(F)c1 2194704064 XKUQZDGTHFKMEF-LHLIQPBNSA-N 283.278 0.836 10 10 CCCE CCN1C(=O)CN(S(=O)(=O)Cc2ccc(N)cc2)C1=O 2191765345 HKVCNUVDZUTEMJ-UHFFFAOYSA-N 297.336 0.383 10 10 CCCE COc1ccc(N2CCOC[C@]2(CN)CO)c(C)c1 2106389317 LOZGRYRTMNEPGD-AWEZNQCLSA-N 266.341 0.530 10 10 CCCE O=C(NC[C@@H]1CCCCNC1)c1cc(O)nc(O)c1 2087095380 VPODBFYAZKLKEY-SECBINFHSA-N 265.313 0.612 10 10 CCCE CON(C)C1CN(c2ccc(CO)cc2[N+](=O)[O-])C1 2088382938 KKEGEEACKMVDMP-UHFFFAOYSA-N 267.285 0.769 10 10 CCCE C[C@@](O)(CO)CN1CCN(c2ccc(N)cc2)CC1 2111790501 SABSQGKEKOFSTL-AWEZNQCLSA-N 265.357 0.134 10 10 CCCE CC[C@H](C)NC(=O)Cn1ccc2c(c1=O)CNCC2 2094407679 SSMFWUSHGNIPMF-JTQLQIEISA-N 263.341 0.409 10 10 CCCE CN[C@H](c1ccccc1O)[C@H](O)[C@@]1(OC)CCOC1 2095093684 RRTCLBKQSGYJFY-HZSPNIEDSA-N 267.325 0.819 10 10 CCCE O=S1(=O)CC2(CC(NCc3ccc(O)c(O)c3)C2)C1 2095672436 DWCDSULMYDTIOW-UHFFFAOYSA-N 283.349 0.765 10 10 CCCE C[C@](N)(C(=O)NCCc1ccc(O)c(O)c1)C(F)F 2096514876 NHCYATOYMOPDNA-GFCCVEGCSA-N 274.267 0.739 10 10 CCCE [N-]=[N+]=NCCN[C@]1(C(=O)O)CCCO[C@]12CCOC2 2098892279 BCUXQGRPORXFRP-QWRGUYRKSA-N 270.289 0.679 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3CCCC[C@@H](O)C3)ccc21 2112919675 XPPDJPQKYRWMSJ-ZWNOBZJWSA-N 261.325 0.990 10 10 CCCE COc1ccc(N2CCN3C(=O)OC[C@@H]3C2)c(N)c1 2114271661 JYWKNNZUQVOASY-VIFPVBQESA-N 263.297 0.918 10 10 CCCE COC1CN(Cc2ccc(N3CCNCC3)cc2)C1 2270551537 WVQMLEBVOXTXFM-UHFFFAOYSA-N 261.369 0.927 10 10 CCCE CSc1ncc(CNCc2nnn(C)n2)s1 2208538751 XMHKMSWLOCNRLN-UHFFFAOYSA-N 256.360 0.678 10 10 CCCE Oc1ccc(CN[C@H]2COC3(COC3)C2)c(O)c1O 2270790098 DLSZLVNLZXFBTR-SECBINFHSA-N 267.281 0.451 10 10 CCCE CC[C@@H](N)c1ccc(N2C[C@H](O)[C@@H](O)[C@H]2COC)cc1 2234062396 ARJFZHIWCAINJC-KBXIAJHMSA-N 280.368 0.653 10 10 CCCE CN1[C@H](C(=O)O)CC[C@H]1C(=O)N1CC[C@@H](N=[N+]=[N-])C1 2225796495 XRLXOCYRZTUHLQ-VGMNWLOBSA-N 267.289 0.445 10 10 CCCE COc1ccc(N2CC[C@@H]3CC(=O)N[C@H]3C2)c(CN)c1 2235970328 ONWDHLORGKWINR-MFKMUULPSA-N 275.352 0.869 10 10 CCCE C[C@@]1(CO)C=CCN1c1ccc2c(c1)NC(=O)[C@H]2O 2228873523 XROPAOFDVNNXRJ-JSGCOSHPSA-N 260.293 0.799 10 10 CCCE C[C@H](NCc1noc(C(N)=O)n1)c1ccc(O)cc1O 2285846883 TUTWOKOIWCUUGF-LURJTMIESA-N 278.268 0.431 10 10 CCCE CN(C)C(=O)N1CC[C@@H](NCc2cccc(O)c2O)C1 2288763962 RKHVCBZYIPZJKD-LLVKDONJSA-N 279.340 0.943 10 10 CCCE N[C@@H](C(=O)NCc1ccccc1O)[C@H](O)C(F)(F)F 2265334577 NNOGJMKDHGFTGA-BDAKNGLRSA-N 278.230 0.259 10 10 CCCE Cn1ccc([C@@H](O)c2ccc(N3CCNCC3)cc2)n1 2286071191 KAJQBNWAXINNLV-HNNXBMFYSA-N 272.352 0.911 10 10 CCCE C[C@@H](NN(C)S(C)(=O)=O)c1c(O)cccc1O 2301552159 ZENMDRQPLHYHQD-SSDOTTSWSA-N 260.315 0.555 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@]23CC[C@@H](C2)NC3)cc1 2343619601 DURWHCFBHLQMRE-STQMWFEESA-N 281.381 0.583 10 10 CCCE OCc1cc(F)c(N2C[C@@H]3C[C@H](O)[C@H](O)[C@@H]2C3)c(F)c1 2355341001 WNGZHFKZFKSPQA-IOPHSANRSA-N 285.290 0.778 10 10 CCCE NC(=O)[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2O)C1 175488035 VDHMJMMOVPUGPF-VIFPVBQESA-N 279.296 0.998 10 10 CCCE NC(=O)c1ccccc1NC(=O)c1cc(O)nc(O)c1 170223429 LJGMOCACLSIAGP-UHFFFAOYSA-N 273.248 0.844 10 10 CCCE Nc1ccc(OCCC(=O)N[C@@H]2C[C@H]3CN[C@@H]2C3)cc1 2357174808 MCKRQWAOWTVNMF-ZLKJLUDKSA-N 275.352 0.904 10 10 CCCE CN(C)C(=O)[C@H]1CCCN1CC(=O)Nc1ccc(N)cc1 36799093 QALDHEDZYKIPLG-CYBMUJFWSA-N 290.367 0.760 10 10 CCCE C[C@@H](c1c(O)cccc1O)N1CC[C@@H](C(N)=O)C1 235500647 MOLFRZKWZQNVNI-DTWKUNHWSA-N 250.298 0.966 10 10 CCCE COC(=O)[C@H](CN)N1CCN(c2ccc(OC)cc2)CC1 76544231 NRGKNPCBHSDSFZ-AWEZNQCLSA-N 293.367 0.318 10 10 CCCE COC(=O)[C@@H](CO)NC(=O)/C=C/c1ccc(N(C)C)cc1 35219619 IHEJGVLVZYGKNF-YSKGHYERSA-N 292.335 0.416 10 10 CCCE C[S@@](=O)CCNC(=O)CCc1ccc(N)cc1 157739755 VNUDHFOEYRKOON-KRWDZBQOSA-N 254.355 0.696 10 10 CCCE CCN1CCO[C@@H](CNCc2cc3c(cc2O)OCO3)C1 134439413 BEDDALXYYSXURU-LBPRGKRZSA-N 294.351 0.931 10 10 CCCE COc1ccc(CN2CCS(=O)CC2)c(O)c1 132815284 UVPNLDKQRYYCRL-UHFFFAOYSA-N 255.339 0.965 10 10 CCCE C[C@H](O)CN(C)C[C@@H](O)COc1ccc(N)cc1 225870756 MXMANKMRXATYNX-CMPLNLGQSA-N 254.330 0.321 10 10 CCCE C[C@H](NC(=O)c1ccc(O)c(O)c1)[C@H](C)C(=O)O 235503745 ZOWNSXAAKYVIQR-BQBZGAKWSA-N 253.254 0.937 10 10 CCCE C[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H](CN)C1 235355260 MFOMRVMOISGMNF-SCZZXKLOSA-N 265.313 0.692 10 10 CCCE CC(=O)N(C(=O)CS(C)(=O)=O)c1ccc(N)cc1 240718892 AOLIEMTZNPXLNJ-UHFFFAOYSA-N 270.310 0.193 10 10 CCCE CN1CCc2cc([C@@H](O)[C@@H](N)CCS(C)(=O)=O)ccc21 2163070131 GSOGDFHURIRSIM-GXTWGEPZSA-N 298.408 0.474 10 10 CCCE C[C@@H]1CN[C@@H](C(=O)NCc2ccc(N(C)C)cc2)CO1 2165883231 ZBERBTCNPVTVER-BXUZGUMPSA-N 277.368 0.746 10 10 CCCE CN1C[C@H](NCCc2ccc(O)c(O)c2)CCC1=O 2131979650 OKLWROLEJPCBDD-LLVKDONJSA-N 264.325 0.851 10 10 CCCE C/C=C\[C@@H](O)C(=O)NCc1cc(OC)ccc1O 901131437 MEAAOORJNHKOKX-VSQXVHSFSA-N 251.282 0.954 10 10 CCCE C/C=C/[C@@H](O)C(=O)NCCc1ccc(O)c(O)c1 901122279 NRPJAOJIMZRXKU-KXMPLOMGSA-N 251.282 0.694 10 10 CCCE NCc1cc(F)c(N2C[C@H](O)C[C@@H]2CO)c(F)c1 698183716 VHPYQQWFYLGCNK-RKDXNWHRSA-N 258.268 0.355 10 10 CCCE C[C@@]12COC[C@H]1CN(C(=O)C(=O)Nc1ccc(N)cc1)C2 850849833 KSOFYHUFJBAXLH-MEBBXXQBSA-N 289.335 0.702 10 10 CCCE CC(=O)C(=O)COC(=O)c1cn2c(n1)C[C@@H](C)CC2 869854471 GRVHVZPYBCUNQT-QMMMGPOBSA-N 264.281 0.780 10 10 CCCE COC(=O)[C@@H]1COCCN1c1ccc(OC)cc1N 1875986059 GBIUEXAUQAMCBD-LBPRGKRZSA-N 266.297 0.656 10 10 CCCE COC(=O)c1cccc(N)c1N[C@@H]1CCOC[C@@H]1N 1876452858 DOAMJINGILTDGK-WDEREUQCSA-N 265.313 0.584 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@H]2[C@H]3CCCN[C@@H]32)cc1 1876454728 XAVOOGDARDZSKF-RWMBFGLXSA-N 281.381 0.439 10 10 CCCE COc1ccc(CNC(=O)N[C@@H]2[C@H]3COC[C@H]32)c(O)c1 793456817 YWFUKGJXLUGBNT-PJXYFTJBSA-N 278.308 0.845 10 10 CCCE COc1ccc(O)c(CNC(=O)N[C@@H]2[C@H]3COC[C@H]32)c1 793018088 VLODMBCAYHBKFX-PJXYFTJBSA-N 278.308 0.845 10 10 CCCE C[C@@H](O)[C@H]1CCCN1c1ccc2c(c1)NC(=O)[C@@H]2N 1879184079 AYUHUNVXWIUHCV-BZHVJNSISA-N 261.325 0.988 10 10 CCCE CC(=O)C(=O)[C@]1(O)CN(C(=O)OC(C)(C)C)[C@H]1C 1880286739 GBQGQJSZBSJSRO-UFBFGSQYSA-N 257.286 0.515 10 10 CCCE COc1cc(OC)c(N2CCN(C)CC2)cc1CN 84166514 XXHMRIXAELAEEV-UHFFFAOYSA-N 265.357 0.914 10 10 CCCE O=C(Cn1ccc(O)nc1=O)NCc1c(O)cccc1F 1303879106 UFYWXZWKKLLQRT-UHFFFAOYSA-N 293.254 0.110 10 10 CCCE Nc1ccc(OCCNC(=O)c2csnn2)cc1 87466214 ZLUXMFFKTVDQOE-UHFFFAOYSA-N 264.310 0.929 10 10 CCCE COC(=O)CCS(=O)(=O)N[C@H](C)c1ccccc1O 1188406804 UWTALAHGMDXEOU-SECBINFHSA-N 287.337 0.936 10 10 CCCE N[C@@H](C(=O)NCc1cncnc1)c1ccccc1O 83430038 NSSQWFBCMMYGIV-GFCCVEGCSA-N 258.281 0.498 10 10 CCCE C[C@@H](N)c1ccc(N2CC[C@@](O)(CN(C)C)C2)cc1O 713706419 CFPXIONVAFQFKT-IAQYHMDHSA-N 279.384 0.915 10 10 CCCE Nc1ccc(CC(=O)NCC[C@H]2CCCS2(=O)=O)cc1 714356331 ZMODQNBAWFGOAD-CYBMUJFWSA-N 296.392 0.895 10 10 CCCE C[C@@H](O)c1ccc(N2CCN(C)[C@H](CO)C2)c(F)c1 687598053 XDFOOPBFCQLLBA-PWSUYJOCSA-N 268.332 0.992 10 10 CCCE COCC(COC)S(=O)(=O)N(C)c1ccc(N)cc1 688568558 JOSHNTUEUKIKLV-UHFFFAOYSA-N 288.369 0.696 10 10 CCCE CN(CC1CC(O)C1)c1ccc2c(c1)NC(=O)[C@H]2N 91451541 WFOCDEJTFZNFPX-RHYVWVDMSA-N 261.325 0.846 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CCCNC(=O)C3)c(Cl)cc21 92752456 MCVVYIJOUIWWIB-LBPRGKRZSA-N 294.742 0.618 10 10 CCCE O=C(c1cccc(O)c1O)N1CC(O)(C(F)F)C1 1963848290 XYRASZAFZIFCCI-UHFFFAOYSA-N 259.208 0.550 10 10 CCCE O=C(CC1(O)CCOCC1)NCc1ccc(O)cc1O 1354072991 UYJUFPMELVBLFX-UHFFFAOYSA-N 281.308 0.646 10 10 CCCE CO[C@@H](C1CNC1)[C@@H](O)c1ccc2c(c1)CCN2C 2115733097 UNRYLZDTKLPLHA-GJZGRUSLSA-N 262.353 0.947 10 10 CCCE COCc1ocnc1[C@H](NCCN=[N+]=[N-])C(=O)OC 2116254494 CTPOCPULDQCVAE-VIFPVBQESA-N 269.261 0.935 10 10 CCCE COc1cc2c(cc1OC)N(C)C1(COC1)C(=O)N2 2116489547 CKRZQYFLZDCZST-UHFFFAOYSA-N 264.281 0.861 10 10 CCCE CN=c1[nH]c(C)cc(=NCCc2ccc(N)cc2)[nH]1 2117367411 GPWCUAJTCQFRIQ-UHFFFAOYSA-N 257.341 0.907 10 10 CCCE CN(C)c1ccc([C@H](CN)N2CCNC(=O)C2)cc1 216886178 XJMJIEOQJMDXBE-ZDUSSCGKSA-N 262.357 0.184 10 10 CCCE CCOc1cccc(CN2C[C@H](N)[C@H](OC)C2)c1O 2122646437 BTPQBPOIGNIQSY-WCQYABFASA-N 266.341 0.949 10 10 CCCE CON(C)CCCNC(=O)Cc1ccc(O)c(O)c1 1631258688 KIKBGWKDVGOMNX-UHFFFAOYSA-N 268.313 0.640 10 10 CCCE CNC(=O)C1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1587728333 RVQHDXKPRKCLSD-UHFFFAOYSA-N 292.335 0.625 10 10 CCCE COCCNC(=O)CN(C)Cc1c(O)cccc1F 1964563168 MTGQZQMPFADPGS-UHFFFAOYSA-N 270.304 0.726 10 10 CCCE COCCN(CCOC)[C@H](CN)c1cccc(OC)c1O 32077540 DDZWLCAEOBVREN-CYBMUJFWSA-N 298.383 0.995 10 10 CCCE Nc1ccc(O)c(CN2CCO[C@@H]3C[C@@H](O)C[C@@H]32)c1 2128876143 NILKYZYGSFSAOS-SGMGOOAPSA-N 264.325 0.699 10 10 CCCE Nc1ccc(CS(=O)(=O)NCCc2cocn2)cc1 2133443631 RQFUFVAASKFGEW-UHFFFAOYSA-N 281.337 0.919 10 10 CCCE CCCO[C@H]1CS(=O)(=O)C[C@H]1N(C)CCN=[N+]=[N-] 1912195507 PCUFVGOLYVRIRO-ZJUUUORDSA-N 276.362 0.821 10 10 CCCE Cn1cnc(Cc2noc(Cc3ccc(N)cc3)n2)n1 1912495266 AMXOWRCOKMFZAQ-UHFFFAOYSA-N 270.296 0.962 10 10 CCCE O=C1Nc2cc(N3CCC4(COC4)C3)ccc2[C@@H]1O 1915331019 MWSJNPANZCMEKM-LBPRGKRZSA-N 260.293 0.899 10 10 CCCE Nc1ccc(NC(=O)NC[C@]2(O)CCCNC2)cc1 2136619493 IDZHMZITOMHYJF-ZDUSSCGKSA-N 264.329 0.505 10 10 CCCE CNC(=O)OC1CN(c2ccc(CN)c(OC)c2)C1 2139683612 YODZHJCBOLEXIV-UHFFFAOYSA-N 265.313 0.699 10 10 CCCE CN(C)S(=O)(=O)C[C@H](O)Cc1ccc(N)cc1 1941858416 AHTKODXLKSWHGT-LLVKDONJSA-N 258.343 0.064 10 10 CCCE Oc1cccc(Cl)c1CNCCn1cnnn1 1942799159 KSLCWOSUQUWZGX-UHFFFAOYSA-N 253.693 0.822 10 10 CCCE CS(=O)(=O)[C@H]1COC[C@@H]1NCc1cccc(F)c1O 2142491464 VXQNAFKTMNMLSM-QWRGUYRKSA-N 289.328 0.433 10 10 CCCE CN(C[C@H](O)COc1ccc(N)cc1)C1(C)COC1 2143203786 SBDFAYUYGXXZRX-LBPRGKRZSA-N 266.341 0.729 10 10 CCCE COC(=O)[C@@H](OC)[C@H](N)Cc1ccc(O)c(O)c1 1951835108 VNVSYWVUVBMJLX-KCJUWKMLSA-N 255.270 0.156 10 10 CCCE CN(C)Cc1cc([C@@H]2COCC(=O)N2)ccc1O 1952357544 VJNDJDXDMSBILG-NSHDSACASA-N 250.298 0.641 10 10 CCCE Nc1ccc(CC(=O)NC[C@@H]2CNCCOC2)cc1 1971146673 JZMHJNLOYXIARQ-LBPRGKRZSA-N 263.341 0.164 10 10 CCCE Nc1ccc(CC(=O)N2CCO[C@H]3COCC[C@H]32)cc1 2143771186 HUIJGPUUNRIBES-KGLIPLIRSA-N 276.336 0.828 10 10 CCCE O=C(O)[C@H]1CCC(=O)N(CCc2ccc(O)c(O)c2)C1 2148002436 BBWZFOMPWHXWNH-JTQLQIEISA-N 279.292 0.964 10 10 CCCE COc1ccc(N(CCCN)CC(=O)N(C)C)cc1 37298601 REFKANXNFNBBLK-UHFFFAOYSA-N 265.357 0.939 10 10 CCCE C[C@H](c1ccc(O)cc1O)N1C[C@@H](C(N)=O)C[C@@H](N)C1 2151020767 FQORCKBXQHHGNX-KXUCPTDWSA-N 279.340 0.293 10 10 CCCE OCc1cc(F)c(N2CCOC[C@H]2[C@H](O)CO)c(F)c1 2146324256 UCALBTGINBIDCG-NWDGAFQWSA-N 289.278 0.016 10 10 CCCE CN1CCc2cc([C@@H](O)CS(C)(=O)=O)ccc21 1999507443 VCBWLLVJPXPUGJ-LBPRGKRZSA-N 255.339 0.757 10 10 CCCE N[C@H](CCCCNC(=O)c1cccc(O)c1O)C(=O)O 2151562581 WARIDQXILGRNQY-SECBINFHSA-N 282.296 0.410 10 10 CCCE CO[C@H]1CN[C@@H](C(=O)N(C)Cc2ccccc2O)C1 40636502 KSBGSXXQYZDDTQ-VXGBXAGGSA-N 264.325 0.728 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@H](CO)C2CC2)cc1 2033135040 FDGJDFBBQGCWKN-LBPRGKRZSA-N 270.354 0.459 10 10 CCCE CS(=O)(=O)CC1CN(C(=O)COc2ccc(N)cc2)C1 2159435458 RKDGDAVKUZGCHO-UHFFFAOYSA-N 298.364 0.151 10 10 CCCE C[C@@H]1C[C@@H](O)CN(c2ccc3c(c2)N(C)C(=O)[C@@H]3N)C1 401688503 DLEHUSQZOOHYKH-GLXFQSAKSA-N 275.352 0.870 10 10 CCCE CO[C@]1(CO)CCN(c2ccc(CN)c(F)c2)C1 402885421 CBXOYJGRJYNYED-CYBMUJFWSA-N 254.305 0.872 10 10 CCCE CC1(C)[C@H](CO)OCCN1C(=O)c1cccc(O)c1O 2159647815 YDTXWKVKTKOZAJ-NSHDSACASA-N 281.308 0.710 10 10 CCCE CN[C@H](C)c1ccc(N2CCC(O)(CO)CC2)cc1O 313804659 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CN1C(=O)C[C@@H](N[C@@H]2CCc3cccc(O)c32)C1=O 389178058 PZPZEYPFVAILAB-NXEZZACHSA-N 260.293 0.726 10 10 CCCE CCNC(=O)CN(C)c1ccc([C@H](C)N)c(O)c1 723164608 QDMFWUUAVMQZPD-VIFPVBQESA-N 251.330 0.984 10 10 CCCE C[C@H]1CN(CC(=O)N(C)c2ccc(N)cc2)S(=O)(=O)C1 393572198 XIIKHOULDNXKCQ-JTQLQIEISA-N 297.380 0.513 10 10 CCCE NCC1CN(Cc2nc(-c3ccc(O)c(O)c3)no2)C1 2169281105 AIXINZWWEYAMNS-UHFFFAOYSA-N 276.296 0.538 10 10 CCCE C[C@@H](N)c1ccc(N2CCN(CCCO)CC2)cc1O 2169931522 DWYMNIXHPUGNFJ-GFCCVEGCSA-N 279.384 0.916 10 10 CCCE Nc1ccc(OCC(=O)N[C@H]2CCN3CC[C@H]2C3)cc1 2192816619 QOZHHKWVYMXSCT-FZMZJTMJSA-N 275.352 0.858 10 10 CCCE CN1C[C@@H](N(C)c2ccc(CO)c([N+](=O)[O-])c2)CC1=O 2188573309 DIJRUOIWPWDRJP-NSHDSACASA-N 279.296 0.754 10 10 CCCE O=C(N[C@H](CO)CC(F)(F)F)c1cc(O)c(O)c(O)c1 2188876150 YBHLLLCWNJJXIV-LURJTMIESA-N 295.213 0.847 10 10 CCCE Nc1ccc(CC(=O)N2[C@H]3CC[C@H]2[C@H](O)[C@H](O)C3)cc1 2190458449 NDPOICJKGDZIFF-XPCVCDNBSA-N 276.336 0.296 10 10 CCCE O=C1NC[C@@H]2CN(c3ccc4c(c3)CC[C@@H]4O)CCN12 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COC[C@@](O)(CO)CN[C@@H]1CCc2cccc(O)c21 2102397701 VMBKDCZLUNKDMX-RISCZKNCSA-N 267.325 0.339 10 10 CCCE O[C@H]1C[C@@H](O)CN(c2ccc(CNC3CC3)cc2)C1 2105071544 AAKBNXOZJWVHGP-GASCZTMLSA-N 262.353 0.871 10 10 CCCE C[C@@H]1CCN(C(=O)Cc2ccc(N)cc2)[C@@H]1C(N)=O 2090253116 INMSCYQQZVUJOI-RNCFNFMXSA-N 261.325 0.534 10 10 CCCE O=C([C@@H]1CNc2ccccc2N1)N1C[C@@H](O)[C@H](F)C1 2092767640 IJMJEULLLHMKIZ-JFUSQASVSA-N 265.288 0.434 10 10 CCCE O=S1(=O)C[C@H]2CCN(c3ccc(CO)cc3F)[C@H]2C1 2094927905 RSRRAVAXFHMDJP-MFKMUULPSA-N 285.340 0.941 10 10 CCCE NCC[C@H]1CC[C@H](NC(=O)c2cc(O)nc(O)c2)C1 2098510504 NQOJIZBFIVBQGP-SCZZXKLOSA-N 265.313 0.740 10 10 CCCE O=C(O)CN1CC(NCc2cc(F)cc(F)c2O)C1 2113025288 CDNBTNVKNOVMLS-UHFFFAOYSA-N 272.251 0.529 10 10 CCCE O=C1Nc2cc(N3CC[C@H]4[C@@H]3C[C@H]4O)ccc2[C@@H]1O 2121673423 VNFYEKHVEOSSKK-SYEHKZFSSA-N 260.293 0.632 10 10 CCCE C[C@@](O)(CO)[C@H]1CCN(c2ccc(CN)c(F)c2F)C1 2202839630 GFDWIAJYYBEYSK-IINYFYTJSA-N 286.322 0.993 10 10 CCCE COc1cc(N2C[C@]3(CO)C[C@]3(CO)C2)ccc1CN 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273.292 0.602 10 10 CCCE O=C(N=c1nc(C2CNC2)[nH]s1)c1cccc(O)c1O 2296456883 LFJNUDRDEAXMRG-UHFFFAOYSA-N 292.320 0.310 10 10 CCCE CSc1cc(N2C[C@H](O)[C@H](O)C2)ccc1CN 2308064898 AIAWBRRACGNEMB-PHIMTYICSA-N 254.355 0.409 10 10 CCCE O=C(c1cccc(O)c1O)N1CCOC[C@@H](F)C1 2315067266 JXTRGOXFBFDNTB-QMMMGPOBSA-N 255.245 0.908 10 10 CCCE CN(C)CC1(O)CN(c2ccc(CO)cc2F)C1 2320540744 GEOOVUZEGMXMAI-UHFFFAOYSA-N 254.305 0.431 10 10 CCCE Nc1ccc(O)c(CN2CC[C@@H]3C[C@H]2[C@H](O)[C@H]3O)c1 2332599654 SZPUGPIFKRVZFU-DWVUBDKYSA-N 264.325 0.290 10 10 CCCE C[C@@]1(O)C[C@@H]2[C@H]1CCN2C(=O)c1cc(O)nc(O)c1 2333586400 TVMQLTCNEPJNHH-JRKPZEMJSA-N 264.281 0.478 10 10 CCCE O=C(O)CNC(=O)N1CCc2cc(O)c(O)cc2C1 2341193525 FBURHNGPKQMALM-UHFFFAOYSA-N 266.253 0.250 10 10 CCCE NCCNC(=O)[C@H]1CCCN(Cc2ccc(O)cc2O)C1 63178508 CJPDPFMHKMXJSU-LBPRGKRZSA-N 293.367 0.385 10 10 CCCE CC1(C)N[C@@H](c2ccc(O)c(O)c2)C(=O)NC1=O 310921307 BSEMTKOMPMNRKW-VIFPVBQESA-N 250.254 0.164 10 10 CCCE C[C@H]1CC[C@@H](NC(=O)c2ccc(O)c(O)c2)CN1 235634877 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CNC(=O)NC[C@H]1CN(C(=O)c2cc(O)cs2)CCO1 862638386 SJLKDRCKOBBLMB-VIFPVBQESA-N 299.352 0.224 10 10 CCCE O=C(O)[C@H](F)C1(O)CN(Cc2ccc(F)cc2O)C1 1875538149 HWVXJFGQPFVHAK-JTQLQIEISA-N 273.235 0.501 10 10 CCCE C[C@@H]1C[C@@H](CN)CN1S(=O)(=O)Cc1ccc(N)cc1 1876534608 GOACRXLRTWDIEF-PWSUYJOCSA-N 283.397 0.768 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H](CO)[C@@H]1CCOC1 1137916570 QZBBFHCCRNDZDB-MNOVXSKESA-N 281.308 0.154 10 10 CCCE COC(=O)[C@@H](N)CC(=O)N[C@@H](C)c1ccccc1O 1877578911 QMZYEIBILMAZGD-WPRPVWTQSA-N 266.297 0.460 10 10 CCCE C[C@H](O)c1cc(F)c(N2C[C@@H](O)C[C@H](O)C2)c(F)c1 1880478433 FLNFGSXLRNWAGY-HGNGGELXSA-N 273.279 0.950 10 10 CCCE COc1cc2c(cc1OC)N(C)C[C@H](C(=O)O)[C@@H]2O 84169001 IHTXZZNGJAMFSN-QPUJVOFHSA-N 267.281 0.888 10 10 CCCE Cn1cc(CNC(=O)Cc2ccc(O)c(O)c2)nn1 1164587123 KHJIMCCQDGFIQU-UHFFFAOYSA-N 262.269 0.085 10 10 CCCE C[C@@H](N)c1ccc(N2CCN(C)[C@@H](CO)C2)c(F)c1 687617470 MIFHBVGWMZVYNL-ZYHUDNBSSA-N 267.348 0.958 10 10 CCCE C[C@@H](O)C1CN(c2cc3c(cc2F)[C@@H](O)C(=O)N3)C1 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0.703 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@]23CNC[C@H]2C3)cc1 2222961331 XRGAALYOYGCNJG-PWSUYJOCSA-N 267.354 0.050 10 10 CCCE COc1ccc(N2CC[C@](O)(CO)[C@@H](O)C2)c(C)c1 2226752999 QQMGKOMWATXPOG-KBPBESRZSA-N 267.325 0.298 10 10 CCCE COc1ccc(N2C[C@@H](CO)OC[C@@H]2C)c(CO)c1 2227707884 BOKATXNPZWCZOR-GWCFXTLKSA-N 267.325 0.774 10 10 CCCE Cc1cc([C@@H](C)N)ccc1N1CC[C@@](O)(CO)[C@H](O)C1 2240845813 HZCHBEXCYILIKX-KCPJHIHWSA-N 280.368 0.309 10 10 CCCE c1csc(SC[C@@H]2CO[C@H]3CNC[C@@H]3O2)n1 2242757898 PZDWWXRVZVZDID-CIUDSAMLSA-N 258.368 0.991 10 10 CCCE Cc1cc(N2CC[C@H]2[C@H](O)CO)ccc1[C@H](C)O 2258343987 SEALQGJVCWFXNS-LEWSCRJBSA-N 251.326 0.980 10 10 CCCE Cn1c(O)cc(=O)n(CCc2ccc(N)cc2)c1=O 2265856960 HIWFJYIOLVPKRI-UHFFFAOYSA-N 261.281 0.078 10 10 CCCE CN1C(=O)NC(=O)C(=CNc2ccc(F)cc2)C1=O 2296754977 YQWYDXGGJMXLEO-UHFFFAOYSA-N 263.228 0.830 10 10 CCCE COc1ccc(O)c(CNN(C)S(C)(=O)=O)c1 2301552098 XHNGSIZXCXRZRT-UHFFFAOYSA-N 260.315 0.297 10 10 CCCE O=C(NCCSCCO)c1cc(O)c(O)c(O)c1 2314051687 ZSEDKSUJDDJTIU-UHFFFAOYSA-N 273.310 0.259 10 10 CCCE C[C@@H](NC(=O)[C@@H]1CCOC[C@@H]1N)c1ccccc1O 2332173415 VBYJJPAWTZNLPB-JLLWLGSASA-N 264.325 0.933 10 10 CCCE CN(C[C@H](O)COc1ccc(N)cc1)C[C@H]1CCO1 2341145862 QAAUXBYVGCGEKH-GXTWGEPZSA-N 266.341 0.729 10 10 CCCE C[C@@H](N)c1ccc(N2CC(O)(CN(C)C)C2)c(F)c1 2343639787 XXLCNZRRNSSMRV-SNVBAGLBSA-N 267.348 0.958 10 10 CCCE CN/C=C1\C(=O)NC(=O)N(c2cccc(C)c2C)C1=O 105958053 AYJBDJJXOCSZHL-JXMROGBWSA-N 273.292 0.990 10 10 CCCE CCOc1cccc(CN2C[C@H](N)C[C@H]2C(=O)NC)c1O 67739907 ZGSRGBSQKVMHGW-NEPJUHHUSA-N 293.367 0.439 10 10 CCCE COc1ccc(CN2CCS(=O)(=O)CC2)c(O)c1 132284925 HERHKVVIAWBOLU-UHFFFAOYSA-N 271.338 0.631 10 10 CCCE Nc1cc2c(cc1N1C[C@H]3CC[C@@H]1[C@@H]3N)NC(=O)CO2 2357176085 HOXXNAURUUJFKH-KZJPANMKSA-N 274.324 0.526 10 10 CCCE CN1CC2(C1)CN(C(=O)c1cc(O)c(O)c(O)c1)C2 1148587658 KJEXZZFKQPDKGQ-UHFFFAOYSA-N 264.281 0.191 10 10 CCCE C[C@@H](C[C@@H](C)O)NS(=O)(=O)Cc1ccc(N)cc1 228055856 IBEVDXOLZCBHHZ-VHSXEESVSA-N 272.370 0.848 10 10 CCCE COC(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[CH-]C(C)=O 253611206 ICGFLSFOFDIRKT-SNVBAGLBSA-N 294.283 0.091 10 10 CCCE CN1CCc2cc([C@@H](CN3CCOCC3)NN)ccc21 2163135761 NBJNRSIMLDXKCU-CQSZACIVSA-N 276.384 0.516 10 10 CCCE CN(C)c1ccc(CNC(=O)[C@H]2COC(=O)N2)cc1F 294590452 CCDLFHIENQYYJJ-SNVBAGLBSA-N 281.287 0.616 10 10 CCCE CO[C@@H]1CCOC[C@H]1NC(=O)COc1ccc(N)cc1 724851719 DFFBCOCJFCBKHB-CHWSQXEVSA-N 280.324 0.568 10 10 CCCE CNCc1ccc(N2C[C@H](C)O[C@H](CO)C2)cc1 299957000 QSYSTGAMVWVYBP-FZMZJTMJSA-N 250.342 0.992 10 10 CCCE C[C@@H](C(=O)Nc1ccc(N)cc1)N1CC(C[S@](C)=O)C1 2166657068 LMWOWOURMSRZND-FVINQWEUSA-N 295.408 0.906 10 10 CCCE Cc1cc(NS(=O)(=O)c2cnc(N)nc2)ccc1O 722233249 ONKLBWVFHILDIH-UHFFFAOYSA-N 280.309 0.874 10 10 CCCE COc1ccc(O)c([C@@H](C)NC(=O)[C@H](O)C(C)(C)O)c1 901128583 YKHXCJCNZGHTEK-PELKAZGASA-N 283.324 0.710 10 10 CCCE Cc1cccc(CN(C)CC(=O)N2CCNCC2)c1O 843045658 ZWNFLLFCKYDTQG-UHFFFAOYSA-N 277.368 0.564 10 10 CCCE CCN(OC)C(=O)CNC(=O)NCc1cc(C)ccc1O 858573720 AVVWGIDGCBQWIO-UHFFFAOYSA-N 295.339 0.910 10 10 CCCE CO[C@H]1CN(C(=O)c2cccc(O)c2O)[C@](C)(CO)C1 870525893 LSYWYCJZEHMYNZ-OTYXRUKQSA-N 281.308 0.710 10 10 CCCE Nc1ccc(CC(=O)NC2(CO)CCNCC2)cc1 1876663733 BPYUEOSFCICDJN-UHFFFAOYSA-N 263.341 0.042 10 10 CCCE Nc1ccc(NC(=O)N2CC[C@H](N)[C@H](CO)C2)cc1 1876165680 QVABOAFWCSWQAK-CABZTGNLSA-N 264.329 0.442 10 10 CCCE NC(=O)[C@@H]1C[C@@H](O)CN1Cc1cc(Cl)ccc1O 895367589 FMLADFZZDGTRNP-ZJUUUORDSA-N 270.716 0.466 10 10 CCCE CN(Cc1c[nH]c(=NN)cn1)Cc1ccccc1O 1877523503 GGMJRSVZSJBZNO-UHFFFAOYSA-N 259.313 0.522 10 10 CCCE C[C@H](NC(=O)NCc1c(O)cccc1F)c1nnnn1C 1313378262 VMZPTIRDPCXRBG-ZETCQYMHSA-N 294.290 0.615 10 10 CCCE C[C@@H]1CN(c2ccc3c(c2)NC(=O)[C@@H]3O)CCS1(=O)=O 707382350 XOGLXDFCHTUTEQ-PRHODGIISA-N 296.348 0.295 10 10 CCCE COC(=O)CN(C)CC(=O)N(C)c1ccc(N)cc1 692345993 XAWXMVFWNXYOGU-UHFFFAOYSA-N 265.313 0.336 10 10 CCCE CNCc1ccc(OC)c(CN2CC(=O)N(C)C2=O)c1 689000570 POQDBBCZECYCPX-UHFFFAOYSA-N 277.324 0.809 10 10 CCCE Cc1cc(N2CC[C@](O)(CN(C)C)C2)ccc1CN 713654517 LCBDOQBXBHIYFQ-HNNXBMFYSA-N 263.385 0.957 10 10 CCCE Nc1ccc(CC(=O)OC[C@@H]2COCCO2)cc1 690711757 GWGODHJSFXYEPZ-LBPRGKRZSA-N 251.282 0.770 10 10 CCCE NC(=O)[C@@H]1CN(Cc2c(O)cccc2Cl)C[C@H]1C(N)=O 693454761 PVRZECIIHSBQLH-HTQZYQBOSA-N 297.742 0.064 10 10 CCCE Cc1cc(N2CC[C@@H](O)[C@H](O)C2)ccc1[C@H](C)N 2257458773 KEOODFDGGBLKPJ-ZLKJLUDKSA-N 250.342 0.947 10 10 CCCE NC(=O)N=Nc1ccc(C(=O)NCCc2nc[nH]n2)cc1 1443990765 QKOQQQVKXWJQPH-UHFFFAOYSA-N 287.283 0.940 10 10 CCCE CNC(=O)C1(C(=O)NCc2c(O)cccc2O)CCC1 1456235811 OIFPPAMLNYQXCX-UHFFFAOYSA-N 278.308 0.630 10 10 CCCE O=[N+]([O-])c1cc(CO)ccc1N1C[C@@H]2C[C@@H]2[C@@H]1CO 1905821809 IBFMMUDPVFLCKT-KWBADKCTSA-N 264.281 0.904 10 10 CCCE C[C@@H]1CNC[C@H](CCO)N1c1ccc2c(c1)OCO2 217092000 SZYFFPWVDNIKCP-PWSUYJOCSA-N 264.325 0.964 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)Nc1nnc2nc[nH]n12 1625541165 QQTPTUKIHZYNBO-UHFFFAOYSA-N 274.240 0.045 10 10 CCCE CCNC(=O)CN(C)c1cc(OC)c(OC)cc1N 213413941 VNTJRHNSBYTRFZ-UHFFFAOYSA-N 267.329 0.858 10 10 CCCE COCCN1C[C@H](O)[C@H](N2CCC[C@@H]2CN=[N+]=[N-])C1 2123018151 FAZLKUFUVAZIPF-UTUOFQBUSA-N 269.349 0.453 10 10 CCCE O=C(NCc1ccc(O)c(O)c1)c1cnn(CCO)c1 1566359761 MRNCREXMVOSOCW-UHFFFAOYSA-N 277.280 0.217 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NCC[C@@H]1CNC(=O)C1 1644264246 CJOHZLSVLSFFAG-JTQLQIEISA-N 278.308 0.283 10 10 CCCE CC(C)[C@H]1NCC[C@H]1NC(=O)c1cc(O)nc(O)c1 2126339950 CHUTYJLCCINOBV-BXKDBHETSA-N 265.313 0.609 10 10 CCCE CCN(C)C[C@@H](O)CN1CCc2cc(CN)ccc21 2133390846 CJKZZCHNMMYRNV-CQSZACIVSA-N 263.385 0.820 10 10 CCCE CN(CCN=[N+]=[N-])CCOc1ccc(S(N)(=O)=O)cc1 1912193045 BNMZTTQSZAVGDC-UHFFFAOYSA-N 299.356 0.955 10 10 CCCE CNC(=O)[C@@H](C)N(C)C(=O)COc1ccc(N)cc1 1916840749 YCBVAIAXUWOVAZ-SECBINFHSA-N 265.313 0.241 10 10 CCCE O=C(N[C@H]1CCNCC[C@@H]1CO)c1cccc(O)c1O 1921721493 YEGDXIZTCAOSGN-KOLCDFICSA-N 280.324 0.188 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3CC[C@H](CCO)C3)cc21 123571549 CXUAQWUTHWSMPM-QMTHXVAHSA-N 275.352 0.872 10 10 CCCE COc1cc(N(C)[C@H]2CCC(=O)NC2)ccc1CO 2139682970 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OC[C@@H]1COC[C@H]1NCc1cc(F)cc(F)c1O 2029845821 XJJORRUYGIOQAW-LDYMZIIASA-N 259.252 0.767 10 10 CCCE [N-]=[N+]=NC1CCN([C@H]2CN(C3CC3)C[C@H]2O)CC1 2039194021 WTAQJUWNKNTUTB-NWDGAFQWSA-N 251.334 0.969 10 10 CCCE Nc1ccc(CS(=O)(=O)NCc2cnns2)cc1 400241606 STVHMGNEOKNOHR-UHFFFAOYSA-N 284.366 0.740 10 10 CCCE CO[C@@]1(CO)CCN(C(=O)Nc2ccc(N)cc2)C1 402931040 WAIMCXRDZMAKEN-ZDUSSCGKSA-N 265.313 0.884 10 10 CCCE Nc1ccc(NC(=O)N2CCN3C[C@@H](O)C[C@H]3C2)cc1 405343337 FAYLJJOCMSOCAB-STQMWFEESA-N 276.340 0.552 10 10 CCCE N[C@H](CNC(=O)c1ccc(O)c(O)c1)C1CCC1 316100361 BYNBGWPIHUXPQF-SNVBAGLBSA-N 250.298 0.955 10 10 CCCE CN(C)C[C@H](O)CNCc1ccc(N(C)C)cc1 80200722 PMUDKSMIZNJIJE-CQSZACIVSA-N 251.374 0.765 10 10 CCCE CN(C)C[C@H]1CCN1c1cc2c(cc1N)OCC(=O)N2 2160893205 PSPVNYORJYIGIS-SECBINFHSA-N 276.340 0.740 10 10 CCCE CN1CCN(c2ccc3c(c2)NC(=O)[C@H]3N)CCC1=O 688968784 XWWXPXUMSQNNPK-ZDUSSCGKSA-N 274.324 0.307 10 10 CCCE O=C([C@@H]1CNc2ccccc2N1)N1C[C@H]2C[C@H]1C[C@@H]2O 2172090550 SYRHBMFBJFVTMJ-OAACRXHESA-N 273.336 0.874 10 10 CCCE CNC(=O)[C@H]1CNCCN1Cc1cc(F)cc(F)c1O 708495508 CYMPMSPIJAMXQY-LLVKDONJSA-N 285.294 0.190 10 10 CCCE CO[C@H]1CS(=O)(=O)C[C@@H]1N(C)c1ccc(CN)cc1C 711284887 KJGMQAAFQVKEKA-KBPBESRZSA-N 298.408 0.702 10 10 CCCE CN(CCCNCc1cccc(O)c1O)S(C)(=O)=O 692417795 VIXCWRSLSLLMSD-UHFFFAOYSA-N 288.369 0.469 10 10 CCCE COC(CN(C)C[C@@H](O)COc1ccc(N)cc1)OC 714667358 WGUWJXGDDQFSEE-GFCCVEGCSA-N 284.356 0.559 10 10 CCCE O=C(NCC[C@H](O)C(F)(F)F)c1cc(O)nc(O)c1 717381630 ZXFVMOFVRPJUTJ-LURJTMIESA-N 280.202 0.536 10 10 CCCE CN1C[C@H](NCc2ccc3c(c2)CCN3C)C(=O)N1 393920571 GEFUJIYIZPKPES-LBPRGKRZSA-N 260.341 0.114 10 10 CCCE NC(=O)CC[S@@](=O)CCCC(=O)Nc1ccc(N)cc1 399422207 NXBCSCATXBLXGN-FQEVSTJZSA-N 297.380 0.612 10 10 CCCE O=C(NCc1ccccc1O)[C@H]1CCN2CCOC[C@@H]12 2064443462 BRKUSXJUKQLAFS-STQMWFEESA-N 276.336 0.729 10 10 CCCE C[C@@H]1COC[C@H](C(=O)O)N1C(=O)Cc1ccc(N)cc1 2168313671 GGJPCLLDDPDYQB-BXKDBHETSA-N 278.308 0.512 10 10 CCCE CCOC(=O)[C@]1(NCCN=[N+]=[N-])CO[C@@]2(CCOC2)C1 2178945079 MHINNYXBZWERIR-NWDGAFQWSA-N 284.316 0.768 10 10 CCCE CN1CCc2cc(CN3CC[C@H](N)[C@@H](CO)C3)ccc21 2178906652 LGSHOJJTNBDDDN-CABCVRRESA-N 275.396 0.820 10 10 CCCE O=C(CN1CCO[C@H]2COC[C@@H]21)c1ccc(O)c(O)c1 2192634525 QRRKFTIALYKBKU-HZMBPMFUSA-N 279.292 0.380 10 10 CCCE Nc1ccc(OC[C@@H](O)CN2CCC=C[C@@H]2CO)cc1 2182340296 KFYKONNYXKBZHN-KGLIPLIRSA-N 278.352 0.631 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3CCC=C[C@@H]3CO)cc21 2182333809 VSZLTDOFLBJWTM-BXUZGUMPSA-N 273.336 0.790 10 10 CCCE CON1CCC(NC(=O)c2cc(O)c(O)c(O)c2)CC1 2188916618 QQQOJEOGMWRLLM-UHFFFAOYSA-N 282.296 0.559 10 10 CCCE CCN(c1ccc2c(c1)CC[C@@H]2O)[C@H]1CC(=O)NC1=O 2184734386 RZVJNBVMMPYSAC-STQMWFEESA-N 274.320 0.908 10 10 CCCE COc1ccc(O)c([C@@H](C)N2CC[C@@](O)(C(=O)O)C2)c1 2197558032 LEOGFKVYDOCWQT-OTYXRUKQSA-N 281.308 0.983 10 10 CCCE COc1cccc(O)c1CNC[C@H](C)S(N)(=O)=O 2042581001 JWJSFGIKJOHZFG-QMMMGPOBSA-N 274.342 0.167 10 10 CCCE CNC1(C(N)=O)CN(c2ccc(OC)c(F)c2)C1 2047094882 CUTJXXBGGGRZGT-UHFFFAOYSA-N 253.277 0.098 10 10 CCCE N[C@H]1CCO[C@@H](C(=O)NCCc2ccc(O)c(O)c2)C1 2194403016 DSVYRLSYHMJIHW-GXFFZTMASA-N 280.324 0.263 10 10 CCCE COCCNC(=O)CCN1CCC(N=[N+]=[N-])CC1 2053256295 VMFJVYORJSIMHC-UHFFFAOYSA-N 255.322 0.914 10 10 CCCE Nc1ccc(CCCN2CC(O)(C(=O)O)C2)cc1 2059098412 JVYLCJXPZDFYQE-UHFFFAOYSA-N 250.298 0.333 10 10 CCCE Nc1ccc(CCC(=O)N2CCN[C@@H]3COC[C@@H]32)cc1 2191897768 FTPZEMZYHNSHFI-KGLIPLIRSA-N 275.352 0.401 10 10 CCCE COCC[C@H](CO)NC(=O)Nc1ccc(N)cc1 2071568258 JWXSFCVWTSULIM-LLVKDONJSA-N 253.302 0.788 10 10 CCCE COC(=O)[C@H](NCCCN=[N+]=[N-])[C@H]1COCCO1 2076653979 LMOWMJXAVBBKRY-RKDXNWHRSA-N 258.278 0.233 10 10 CCCE C[C@@H]1C[C@@H](O)CCN(C(=O)c2cc(O)nc(O)c2)C1 2103289090 WLLVKRBKMIDLIA-SCZZXKLOSA-N 266.297 0.726 10 10 CCCE COc1cc(N2CCOC[C@H]2CO)ccc1CO 2084017769 VZYHJYWTIBCGIV-GFCCVEGCSA-N 253.298 0.385 10 10 CCCE COc1cc(N2CC(CO)(OC)C2)ccc1CN 2084015764 DNEITDQNVOYLDP-UHFFFAOYSA-N 252.314 0.351 10 10 CCCE COc1cccc(O)c1CN[C@@H]1CO[C@@H]2COC[C@H]12 2104438276 JTCGJAUGHXBZPJ-JTNHKYCSSA-N 265.309 0.904 10 10 CCCE NC(=O)c1cccc(N)c1N[C@H]1CC[C@H](C(N)=O)C1 2089990779 OWFYCYRKKXXUTB-YUMQZZPRSA-N 262.313 0.434 10 10 CCCE CC[C@@H](CS(C)(=O)=O)NCc1ccc(O)c(O)c1O 2090095316 UOPLIRJBEGCSND-VIFPVBQESA-N 289.353 0.716 10 10 CCCE NC[C@@H]1C[C@H](NC(=O)c2cccc(O)c2O)[C@H]2C[C@H]21 2110580229 QLJUPYAPPDLZCH-ASXGKARISA-N 262.309 0.811 10 10 CCCE O=C1Nc2cc(N3C[C@H](O)[C@@H](F)C3)c(Cl)cc2[C@@H]1O 2092767533 HBSMYBDRZZWZME-SWPVVBRQSA-N 286.690 0.845 10 10 CCCE Nc1ccc(CCN2C[C@H](CO)[C@@H](CCO)C2)cc1 2093501025 HLFZPQIOJHFGAW-UONOGXRCSA-N 264.369 0.734 10 10 CCCE O=C1NC(=O)[C@@H](CCCNCc2ccccc2O)N1 2093928636 UHYXWCOFLGUOJJ-SNVBAGLBSA-N 263.297 0.470 10 10 CCCE CCn1ncnc1Cn1ccc2c(c1=O)CNCC2 2094406661 IOJMXLQWJKQFPO-UHFFFAOYSA-N 259.313 0.154 10 10 CCCE Oc1ccc(CNC[C@@H]2C[C@@H](O)CCO2)c(O)c1O 2097941187 IBKHPDXMHYMSMK-UWVGGRQHSA-N 269.297 0.433 10 10 CCCE Cc1cccc(CNC(=O)[C@H]2Cc3nncn3C2)c1O 2204620066 BWUBLKIVKIEHHM-NSHDSACASA-N 272.308 0.781 10 10 CCCE COCC1(O)CN(c2ccc(OC)cc2C=O)C1 2220429746 FXQVOENNGZCCEC-UHFFFAOYSA-N 251.282 0.705 10 10 CCCE Cc1cc([C@H](C)O)ccc1N1C[C@H](O)[C@@H](O)[C@H]1CF 2232105009 RMNADBPUFWKSSW-VZLIPTOUSA-N 269.316 0.928 10 10 CCCE CN1CCc2cc(N3CC[C@H](N4CC(O)C4)C3)ccc21 2235123119 WEEHYACMFNZTBI-AWEZNQCLSA-N 273.380 0.934 10 10 CCCE NCc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]2C[C@H]3[C@@H](O)[C@@H]2O)cc1 2237073812 RAKFABHZSDCWBN-ZTYXSZCMSA-N 274.364 0.569 10 10 CCCE CP(C)(=O)[C@@H](O)CN(CC(N)=O)Cc1ccc(N)cc1 2237204565 BWSRTHXMLVNEDD-CYBMUJFWSA-N 299.311 0.497 10 10 CCCE CC1(C)OCCN(C(=O)Cc2ccc(N)cc2)[C@@H]1CO 2282886741 SPMDYWBCROCDNM-CYBMUJFWSA-N 278.352 0.810 10 10 CCCE CCNCc1ccc(N2CC[C@H]2[C@H](O)CO)cc1 2258347092 VZXHUZPYPSBAIX-UONOGXRCSA-N 250.342 0.728 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@H]2COC(=O)C2)cc1 2264148946 YUAIIJWLFTXFIW-SNVBAGLBSA-N 270.310 0.004 10 10 CCCE OC[C@H](O)[C@H]1COCCN1c1ccc(OCF)cc1 2278402340 TVLSLKUGPUKMBL-OLZOCXBDSA-N 271.288 0.551 10 10 CCCE Cc1cc(N2C[C@H]3C(=O)NC(=O)[C@@H]3C2)ccc1[C@H](C)O 2285177501 SKEMMERNLGVOOJ-ZWKOPEQDSA-N 274.320 0.757 10 10 CCCE CSc1ncc(CNS(=O)(=O)[C@@H]2CC[C@H]2N)s1 2300757792 QFKMKCLCKMXKHM-HTQZYQBOSA-N 293.439 0.774 10 10 CCCE CO[C@@H]1C[C@@H]2C[C@H]1C[C@@]2(NCCN=[N+]=[N-])C(N)=O 2308684963 RUUQTZPWVPRIIH-CKEKPRIKSA-N 253.306 0.555 10 10 CCCE Nc1ccc(CNC[C@@H]2C[C@@H]3C[C@H]2[C@@H](O)[C@H]3O)cc1 2330553022 JNBQLYMGLBWMGQ-QFCKPIOYSA-N 262.353 0.736 10 10 CCCE COc1ccc(N2CC([C@@H](O)CO)C2)c(OC)c1C 2336871473 MHTRTKVTTNLBMI-LBPRGKRZSA-N 267.325 0.802 10 10 CCCE NCc1ccc(N2CC([C@H](O)CO)C2)cc1C1CC1 2339164128 TZWOHAJSDDBVNE-OAHLLOKOSA-N 262.353 0.812 10 10 CCCE OCc1cc(F)c(N2C[C@@H]3C[C@H]2[C@@H](O)[C@H](O)C3)c(F)c1 2355341003 WNGZHFKZFKSPQA-SOHVAGQDSA-N 285.290 0.778 10 10 CCCE NC(=O)[C@H]1CCCN1CCCC(=O)Nc1ccc(N)cc1 20294302 SPJYVYGFXMZUQX-CYBMUJFWSA-N 290.367 0.937 10 10 CCCE NC(=O)[C@@H]1COCCN1c1ccc(/C=C\C(=O)O)cc1 312180247 UOHZDDKJJLNYPH-RYBZSIHZSA-N 276.292 0.475 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CCC[C@@H]1CO 220665036 ORCPAYJHBWYSMD-MRVPVSSYSA-N 253.254 0.400 10 10 CCCE Cn1cc(CNC(=O)[C@@H](N)Cc2ccc(O)c(O)c2)cn1 41160144 YYEJBFBCGVIOQL-NSHDSACASA-N 290.323 0.018 10 10 CCCE CCOC(=O)CS(=O)(=O)NCCCN=[N+]=[N-] 42534807 BHWBXIASYYHKTH-UHFFFAOYSA-N 250.280 0.169 10 10 CCCE Nc1ccc(NC(=O)CSC[C@H](O)CO)cc1 93957496 DMNOUAKZCWQJDH-SNVBAGLBSA-N 256.327 0.294 10 10 CCCE O=C(CCNCc1cccc(O)c1O)NC1CC1 92986786 ZJTHFECTGWSZBH-UHFFFAOYSA-N 250.298 0.856 10 10 CCCE C[C@@H](N)c1ccc(N2CCOC[C@@H]2C(N)=O)cc1O 723196967 YPNNKNVUFFGLMW-LDYMZIIASA-N 265.313 0.102 10 10 CCCE Nc1ccc(CCC(=O)N2CC(O)(CC(=O)O)C2)cc1 2166957874 HPUHOSZDWRBQJJ-UHFFFAOYSA-N 278.308 0.249 10 10 CCCE O=[N+]([O-])c1cc(N2CCO[C@@H](CO)C2)ccc1CO 2132059295 SYIOWHNAPSTGAC-LLVKDONJSA-N 268.269 0.285 10 10 CCCE CC(=O)C(=O)COC(=O)[C@@H]1CCc2ncncc2C1 829968131 FJLKJYMBAOJKIA-SECBINFHSA-N 262.265 0.283 10 10 CCCE COc1ccc(O)c(CNC(=O)[C@@]2(C)C[C@H](O)CN2C)c1 822304681 SRNZSXYQFLCODI-XHDPSFHLSA-N 294.351 0.472 10 10 CCCE Cc1ccc(C(=O)NCC[C@@]2(O)CCOC2)c(O)c1O 846451648 MOXWXLBZWYKTQL-CQSZACIVSA-N 281.308 0.678 10 10 CCCE CCc1cccc(CNC[C@H](C)S(N)(=O)=O)c1O 691483144 OYKHDQBJOLWSTR-VIFPVBQESA-N 272.370 0.721 10 10 CCCE C[C@@H]1C[C@H](CN)CN1S(=O)(=O)Cc1ccc(N)cc1 1876534609 GOACRXLRTWDIEF-ZYHUDNBSSA-N 283.397 0.768 10 10 CCCE Nc1ccc(CC(=O)N2C[C@H]3CCNC[C@@H]3C2)cc1 1876420220 CLTSFTFDZQSUOK-CHWSQXEVSA-N 259.353 0.879 10 10 CCCE Nc1ccc(CCC(=O)NC[C@H](F)C2CNC2)cc1 1876429293 IFNGBYWCLWUWSA-ZDUSSCGKSA-N 265.332 0.875 10 10 CCCE C[C@@H](CC1CNC1)NS(=O)(=O)Cc1ccc(N)cc1 1876470419 BFTOXJDJPOGIFF-JTQLQIEISA-N 283.397 0.686 10 10 CCCE C[C@H]1CCNC[C@H]1NS(=O)(=O)Cc1ccc(N)cc1 1876418423 YGHWUYAFXBMJHH-GXFFZTMASA-N 283.397 0.686 10 10 CCCE CCN(C(=O)COc1ccc(N)cc1)[C@@H]1CCNC1 1876450857 HPAMFKPDPCCXGB-GFCCVEGCSA-N 263.341 0.858 10 10 CCCE CC1(C)C[C@@H](NC(=O)COc2ccc(N)cc2)CN1 1876439097 FPBUWABRCYJBCN-LLVKDONJSA-N 263.341 0.904 10 10 CCCE Nc1ccc(OCCN2CCO[C@H]3COC[C@H]32)cc1 1877660063 RJORHWWNYHAFLB-KGLIPLIRSA-N 264.325 0.747 10 10 CCCE COC(=O)[C@@H](C)NCc1cc([N+](=O)[O-])ccc1O 83397831 UNWZZHBONFHGMU-SSDOTTSWSA-N 254.242 0.952 10 10 CCCE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)NCCN=[N+]=[N-] 1885557110 KJEAMPJSMSBRKR-IUCAKERBSA-N 299.331 0.783 10 10 CCCE Nc1ccc(CC(=O)N2CC([C@H]3CCNC3)C2)cc1 1886865183 HVJSUYSUZPQKIM-LBPRGKRZSA-N 259.353 0.879 10 10 CCCE Nc1ccc(CCC(=O)N[C@@H]2CCO[C@H]2C(=O)O)cc1 703127817 CJXCCSQAIYQMRB-DGCLKSJQSA-N 278.308 0.560 10 10 CCCE Nc1ccc(OCC(=O)N2CCSC[C@H]2CCO)cc1 708346941 OQGRYWHPSPFKAD-GFCCVEGCSA-N 296.392 0.974 10 10 CCCE CN(Cc1nc[nH]n1)C(=O)CCOc1ccc(N)cc1 80511625 WYCGVXFQOWKJLH-UHFFFAOYSA-N 275.312 0.814 10 10 CCCE C[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)CCc1ccc(N)cc1 711779384 HPADYWWLAYCOSO-ZWNOBZJWSA-N 296.392 0.751 10 10 CCCE CCn1cc([C@@](C)(NCCCN=[N+]=[N-])C(=O)O)nn1 714984431 AKZXBJHOCQQQAE-SNVBAGLBSA-N 267.293 0.888 10 10 CCCE CC(C)NCc1ccc(N2CC(=O)NC(=O)C2)c(F)c1 97269756 KWDAQOKSHLMAQB-UHFFFAOYSA-N 279.315 0.787 10 10 CCCE C[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CC(=O)N1C 1448237492 QMNCOSYHRUXCRB-SECBINFHSA-N 278.308 0.329 10 10 CCCE C[C@@H]1SC(=S)N(CC(=O)N2CCOCC2)C1=O 11635520 DKJYCSJRHUHVNQ-ZETCQYMHSA-N 274.367 0.094 10 10 CCCE O=C1N[C@@H](C(=O)NCc2ccc(O)cc2O)CCO1 1639444410 KXTHVKBVBSKHGG-SECBINFHSA-N 266.253 0.213 10 10 CCCE [N-]=[N+]=NCCCN[C@@]1(C(=O)O)CO[C@]2(CCOC2)C1 2122404085 MIJFJYWJNRSVTR-GHMZBOCLSA-N 270.289 0.679 10 10 CCCE CN1CCN(C(=O)CN2CCC[C@@H]2CN=[N+]=[N-])CC1 2123015714 OWICCGIKKUCXHH-LLVKDONJSA-N 266.349 0.535 10 10 CCCE CN1C[C@@H](C(=O)NCc2c(O)cccc2O)CC1=O 1647269738 KUZXGSSHLPWVSF-QMMMGPOBSA-N 264.281 0.192 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CC(n2cncn2)C1 1584902816 QJMWJULQLDXNLE-UHFFFAOYSA-N 274.280 0.315 10 10 CCCE COc1cccc(CNC(=O)Cn2nc(C)oc2=O)c1O 1595800145 QFNDSYAIAJZHHL-UHFFFAOYSA-N 293.279 0.175 10 10 CCCE CN(CCO)[C@H]1CCN(c2ccc3c(c2)OCO3)C1 259473642 YDYWNRFEVXHCES-LBPRGKRZSA-N 264.325 0.918 10 10 CCCE COCCN(CCOC)[C@@H](CN)c1ccc(O)cc1O 32050672 WGNBGYJQJSIEEQ-ZDUSSCGKSA-N 284.356 0.692 10 10 CCCE OC[C@@H]1CN(c2ccc3c(c2)CCC[C@@H]3O)C[C@H]1O 2128273295 JZLRDEUTDUDXBK-TUKIKUTGSA-N 263.337 0.846 10 10 CCCE NC(=O)COC1CN(c2ccc3c(c2)CC[C@@H]3N)C1 2128322154 PITFXFRVCWYEIX-ZDUSSCGKSA-N 261.325 0.323 10 10 CCCE CO[C@@H](C(=O)C(=O)C[C@H]1C[C@H](N)C1)C1CCNCC1 2131378222 FPLUEYBXAFQLBA-GLXFQSAKSA-N 268.357 0.267 10 10 CCCE [N-]=[N+]=NCC1CCN(C(=O)[C@H]2CCC(=O)N2)CC1 1912152416 SUWAZPDUBLUYLA-SECBINFHSA-N 251.290 0.814 10 10 CCCE COC(=O)CCCS(=O)(=O)N(C)CCCN=[N+]=[N-] 1912172140 RKJPIEGHRDFNJL-UHFFFAOYSA-N 278.334 0.902 10 10 CCCE [N-]=[N+]=NC1CN(S(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)C1 1912204492 WZKGKKURDAYWCW-UHFFFAOYSA-N 299.268 0.984 10 10 CCCE CCCNCc1ccc(N2CC(O)(C(N)=O)C2)c(C)c1 1915249686 CIMQWLGTJNESCM-UHFFFAOYSA-N 277.368 0.531 10 10 CCCE Cn1ccc(CCNS(=O)(=O)Cc2ccc(N)cc2)n1 227215379 BBJURRPEFDQBBZ-UHFFFAOYSA-N 294.380 0.664 10 10 CCCE CNC(=O)[C@]1(C)CCN(C(=O)Cc2ccc(N)cc2)C1 230889754 FBOQXNGDHLGLNU-OAHLLOKOSA-N 275.352 0.796 10 10 CCCE O=C(c1cccc(O)c1O)N1CC[C@H](CCO)C1 123459639 IEFBEUJBOVLEBE-SECBINFHSA-N 251.282 0.942 10 10 CCCE C[C@@H](N)c1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CF)c(F)c1 2140660515 AGUAGQIAUPYNHH-FFAVSVRISA-N 272.295 0.725 10 10 CCCE CN(Cc1ccc(N)cc1)S(=O)(=O)N1CCC1 1944320942 GFINUXHVLIHAFO-UHFFFAOYSA-N 255.343 0.651 10 10 CCCE CCOC(=O)[C@@H]1C[C@]1(N)c1cc(O)c(O)c(O)c1 1952776264 TXJBGOCXCBXPQA-MADCSZMMSA-N 253.254 0.540 10 10 CCCE Nc1cc2c(cc1N1C[C@H]3C(CO)[C@@H]3C1)CCC(=O)N2 2146878257 AIPKBODVXBBRAI-NXEZZACHSA-N 273.336 0.828 10 10 CCCE Nc1ccc(CC(=O)N2C[C@@H](CO)C[C@H]2CO)cc1 1973362334 DPVRGDSILMVHMC-AAEUAGOBSA-N 264.325 0.013 10 10 CCCE Oc1cccc(F)c1CN[C@@H]1C[C@H]2C[C@H]1[C@@H](O)[C@H]2O 1974159462 YMNKJMKVJGDACJ-NOWSUULHSA-N 267.300 0.751 10 10 CCCE CC(=O)C(=O)[C@H](O)c1ccc(S(C)(=O)=O)cc1 2003419168 GBRZIGXPDIZGBG-LLVKDONJSA-N 256.279 0.282 10 10 CCCE Nc1ccc(OCCN2CC[C@@H]3CS(=O)(=O)C[C@H]32)cc1 2151271956 ABPYPRFPJMTNTP-BXUZGUMPSA-N 296.392 0.767 10 10 CCCE Nc1cc2c(cc1N1CC(OCCO)C1)CCC(=O)N2 2152290319 SWWLWYUKYQIWMA-UHFFFAOYSA-N 277.324 0.351 10 10 CCCE CCN(CCN)S(=O)(=O)Cc1ccc(N)cc1 2016890681 QPYCHDIFTKJMRA-UHFFFAOYSA-N 257.359 0.379 10 10 CCCE C[C@H](O)CN(CC(=O)c1ccc(O)c(O)c1)C[C@H](C)O 2159716309 OZQSOAQQZPUMTA-UWVGGRQHSA-N 283.324 0.344 10 10 CCCE COC[C@@H](O)CNCc1ccc(N2CCOCC2)cc1 71269843 XCJSNOQOZSVEBV-HNNXBMFYSA-N 280.368 0.620 10 10 CCCE C[C@H]1C[C@@H](O)CN(C(=O)c2cccc(O)c2O)C1 401572436 FXFJJOUOGKKVHJ-DTWKUNHWSA-N 251.282 0.941 10 10 CCCE Nc1ccc(O)c(CNC(=O)[C@@H]2CO[C@H]3COC[C@H]23)c1 2158076129 REUBEYZPCQKFSK-WZRBSPASSA-N 278.308 0.252 10 10 CCCE O=C(c1cccc(O)c1O)N1CCN=C2NC=NC=C21 2158693539 CUISQWGERDBJMA-UHFFFAOYSA-N 272.264 0.425 10 10 CCCE CN(C(=O)C[S@](=O)[C@H]1CCOC1)c1ccc(N)cc1 703103288 OAQCRJMXZZSFSR-BUXKBTBVSA-N 282.365 0.769 10 10 CCCE CN1C[C@H]2CN(C(=O)Cc3ccc(N)cc3)C[C@H]2C1 705639905 DVYJXTUIYFDEKI-BETUJISGSA-N 259.353 0.831 10 10 CCCE C[C@@H]1CC(=O)NCCN1C(=O)Cc1ccc(N)cc1 707245012 PDZLAOYCCBAPAU-SNVBAGLBSA-N 261.325 0.548 10 10 CCCE NCc1ccc(N(CCn2cnnn2)C2CC2)cc1 712575671 MAVSMWBUWKSICQ-UHFFFAOYSA-N 258.329 0.801 10 10 CCCE CCN1CC(NC(=O)CCOc2ccc(N)cc2)C1 381749551 DKOAKOZYDDZLIR-UHFFFAOYSA-N 263.341 0.858 10 10 CCCE CC1(C(=O)N(CC(N)=O)Cc2ccc(N)cc2)CC1 389241913 BSSFGESIHKLHEG-UHFFFAOYSA-N 261.325 0.883 10 10 CCCE C[C@H]1NC(=O)CC[C@H]1Nc1c(N)cccc1C(N)=O 393094717 MVYQRAKMKDMNSD-GMSGAONNSA-N 262.313 0.447 10 10 CCCE Nc1ccc(CCC(=O)N[C@]2(CO)CCOC2)cc1 393894348 CPGQFTPNBDTSJS-AWEZNQCLSA-N 264.325 0.469 10 10 CCCE COc1cc([C@@H](NCCCN=[N+]=[N-])C(N)=O)sn1 399241334 DYSBYBKPVFQNNP-MRVPVSSYSA-N 270.318 0.968 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3CCC4(CC(O)C4)C3)ccc21 2174059693 KITSFBIULNMXFS-VROQLPPWSA-N 273.336 0.990 10 10 CCCE COc1cccc(O)c1CNC[C@H]1CC(=O)N(C)C1 850385882 CJVGDQMUHFTXTJ-SNVBAGLBSA-N 264.325 0.969 10 10 CCCE Nc1ccc(N2CCN(C(=O)CC3COC3)CC2)cc1 2176512026 ROSQMRFZARIPKK-UHFFFAOYSA-N 275.352 0.954 10 10 CCCE CCN(c1ccc([C@@H](C)O)c(O)c1)[C@H]1CC(=O)NC1=O 2171194899 FJNDHVSLVQBHDB-KCJUWKMLSA-N 278.308 0.687 10 10 CCCE CNC(=O)CC1CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2188875969 WQBUOPUDHZPMSH-UHFFFAOYSA-N 280.280 0.012 10 10 CCCE N[C@H]1CCc2cc(N3C[C@@H]4C[C@H](C3)[C@H](O)[C@H]4O)ccc21 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0.804 10 10 CCCE CC[C@H](N)C(=O)N1CCc2cc(O)c(O)cc2C1 2318623039 WRGKQRMQHRJTHL-JTQLQIEISA-N 250.298 0.720 10 10 CCCE NCc1ccc(N2[C@H]3CC[C@@H]2C[C@@H](O)[C@@H]3O)cc1F 2331964935 PETFXRGRCZUUAG-YXCITZCRSA-N 266.316 0.747 10 10 CCCE O=[N+]([O-])c1cc(CO)ccc1N1C[C@H]2C[C@@H]1[C@@H]2CO 2333081963 HBCRZUQZLSCXEQ-CKYFFXLPSA-N 264.281 0.904 10 10 CCCE NCc1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CF)c(F)c1F 2333237010 JGLUGBGGDFLCTO-LNLATYFQSA-N 276.258 0.303 10 10 CCCE Cc1cc(N2C[C@@H](O)[C@@H](O)[C@@H]2CF)ccc1[C@H](C)O 2334468664 GHZGTDUPRQGOIB-WTDIUWLJSA-N 269.316 0.928 10 10 CCCE [N-]=[N+]=N[C@H]1CCC[C@H]1NC(=O)[C@@H]1COC[C@H]1C(=O)O 2338347336 GRHJBHBUGSMLKV-BGZDPUMWSA-N 268.273 0.681 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3[C@H]4CC[C@@H]3C[C@H]4CO)ccc21 2354259602 BODSFQGQQPFPFQ-KNUWBNEDSA-N 273.336 0.988 10 10 CCCE C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CCN1 52783462 PJRCOSBJIQEWLQ-MRVPVSSYSA-N 292.295 0.724 10 10 CCCE C[C@@H](O)CN(C)CCC(=O)Nc1ccc(N)cc1 51816802 UWMKOBLOHOJMGN-SNVBAGLBSA-N 251.330 0.910 10 10 CCCE C[C@H](NC=C1C(=O)N(C)C(=O)N(C)C1=O)C1CC1 31435105 UNGQIYVNNXKINE-ZETCQYMHSA-N 251.286 0.309 10 10 CCCE COc1cccc(CN2CCNC[C@@H]2C(=O)O)c1O 88658804 GIZQMAOFKUMXOI-SNVBAGLBSA-N 266.297 0.259 10 10 CCCE O=C(N[C@@H]1CCCCNC1)c1ccc(O)c(O)c1 236566312 JQZIVUNCYBEBRD-SNVBAGLBSA-N 250.298 0.970 10 10 CCCE Nc1ccc(OCC(=O)N2C[C@@H]3C[C@H](C[C@H]3O)C2)cc1 2163566556 XRHJDWXYMFNBIA-UHIISALHSA-N 276.336 0.877 10 10 CCCE Cn1nnc([C@H](NN)c2ccc(N3CCCC3)cc2)n1 2163157731 GZYOWHLJZASUAG-GFCCVEGCSA-N 273.344 0.363 10 10 CCCE CN(C(=O)CN1C[C@@H]2C[C@H]1CO2)c1ccc(N)cc1 718355036 QTOSJOMTYJREKI-STQMWFEESA-N 261.325 0.705 10 10 CCCE O=C(NC[C@@H]1CCC[C@@H]1O)c1cc(O)c(O)c(O)c1 2132349156 ZLNAPZKTMKBJAY-CBAPKCEASA-N 267.281 0.694 10 10 CCCE c1cc(N2CCOCC2)ccc1CN[C@H]1CNOC1 904428437 KXCJCFMTOCLOHM-ZDUSSCGKSA-N 263.341 0.516 10 10 CCCE Cc1oncc1CNC(=O)CN1C(=O)CSC1=S 585362589 ANFJBSVBKXXSQC-UHFFFAOYSA-N 285.350 0.460 10 10 CCCE Cn1c(=O)ccn(CCCc2ccc(N)cc2)c1=O 697851980 WDTKIIFGJHFQMO-UHFFFAOYSA-N 259.309 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NCc1nnc(NC(=O)COc2ccc(N)cc2)o1 2138793264 LTLDQOXLEUMFHQ-UHFFFAOYSA-N 263.257 0.128 10 10 CCCE CCN(CC(=O)NC)c1ccc([N+](=O)[O-])c(CO)c1 233437312 UXDJXIHPKIGGRF-UHFFFAOYSA-N 267.285 0.659 10 10 CCCE Oc1ccc(-c2noc([C@]3(O)CCCNC3)n2)cc1O 236582004 AKHIRJQEPZRVSU-ZDUSSCGKSA-N 277.280 0.719 10 10 CCCE C[C@H](CS(N)(=O)=O)NCc1cccc(F)c1O 1947444303 AEWNMTGRROGMSA-SSDOTTSWSA-N 262.306 0.298 10 10 CCCE CC(=O)C(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 1951503528 XCRBXMXMTGMPAR-UHFFFAOYSA-N 271.250 0.770 10 10 CCCE N[C@@]1(CC(=O)C(=O)C[C@H]2C[C@H](N)C2)CCSC1 2003169488 LDBVYUWFDLEHNW-KBVBSXBZSA-N 256.371 0.477 10 10 CCCE C[C@@H]1C[C@@H](Nc2c(N)cccc2C(N)=O)CCS1(=O)=O 2143953553 KFLIPPOGDYIBGG-BDAKNGLRSA-N 297.380 0.745 10 10 CCCE COCCNC(=O)CN1CCc2cc([C@@H](C)N)ccc21 162125560 QWTNTOAIGMYQSB-LLVKDONJSA-N 277.368 0.831 10 10 CCCE Cn1[nH]c([N+](=O)[O-])nc1=NCCOc1ccc(N)cc1 2159181675 YGPPRKLTXUQNRN-UHFFFAOYSA-N 278.272 0.218 10 10 CCCE C[C@@H](N)[C@@H](C)NS(=O)(=O)Cc1ccc(N)cc1 2016969188 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CCCE COC[C@H](CNC(=O)Cc1ccc(N)cc1)OC 234721738 NXTXZLUZNAAUAC-LBPRGKRZSA-N 252.314 0.589 10 10 CCCE OCCN(Cc1ccc(O)c(O)c1)C[C@@H]1CCCN1 236501397 LHXDTUQHVABFRU-LBPRGKRZSA-N 266.341 0.644 10 10 CCCE O=C1C[C@@H](NCc2cc(Br)ccc2O)C(=O)N1 1947014556 SWOOOVZYMANKJR-MRVPVSSYSA-N 299.124 0.659 10 10 CCCE C[C@@H](CS(N)(=O)=O)NCc1cccc(Cl)c1O 1947446145 NRRKQWXMAPCYNS-ZETCQYMHSA-N 278.761 0.812 10 10 CCCE CN(C)Cc1cc([C@@H]2CC(=O)N[C@@H]2C(=O)O)ccc1O 1952353701 MFJMUACWMUSWIE-GWCFXTLKSA-N 278.308 0.511 10 10 CCCE C[C@H]1CN(CC(=O)N(C)c2ccc(N)cc2)CCO1 37272193 GVJFETWAIRTMLG-NSHDSACASA-N 263.341 0.952 10 10 CCCE COCCN(CCO)[C@H](C)C(=O)Nc1ccc(N)cc1 164219967 QSNCVVHIJRJXHO-LLVKDONJSA-N 281.356 0.537 10 10 CCCE CN1CCc2cc(CN3CCC[C@](O)(CN)C3)ccc21 2157529763 RXUVYWFIIRZOGC-INIZCTEOSA-N 275.396 0.965 10 10 CCCE Nc1ccc(OCCCN2C[C@H]3C[C@@]2(CO)CO3)cc1 2151004234 URPRIAGJDHCQRJ-HUUCEWRRSA-N 278.352 0.873 10 10 CCCE CN(C)C[C@H]1COCCN1C(=O)c1ccc(O)c(O)c1 2153246901 KKIQVGZQRRQZOV-NSHDSACASA-N 280.324 0.500 10 10 CCCE NCc1ccc(N2C[C@H]3CS(=O)(=O)C[C@@H]3C2)cc1 2027585476 YIAQOYYMILKNGS-RYUDHWBXSA-N 266.366 0.626 10 10 CCCE CC(C)[C@H](O)CCNC(=O)c1cc(O)nc(O)c1 2029919078 IKLHFOHHVWUXPX-SECBINFHSA-N 254.286 0.630 10 10 CCCE C[C@H](C=CC(=O)O)NC(=O)c1cc(O)nc(O)c1 2030383817 RKWYCGRETQLEOD-ZCFIWIBFSA-N 252.226 0.252 10 10 CCCE Oc1ccc(CNCCc2nncs2)c(O)c1O 2033512285 UVAOETZVMADWPZ-UHFFFAOYSA-N 267.310 0.987 10 10 CCCE CO[C@H]1CN(CC(=O)c2ccc(O)c(O)c2)C[C@@H]1OC 300175149 GQTXGZDPXNKCJZ-KBPBESRZSA-N 281.308 0.626 10 10 CCCE Cc1cc(N2CCN3C[C@@H](O)C[C@@H]3C2)ccc1CN 405271601 SBHGJMNYUSOJPM-CABCVRRESA-N 261.369 0.709 10 10 CCCE O=C(O)C[C@H]1CCC[C@@H]1NC(=O)c1cc(O)nc(O)c1 405530606 MRFJXLVUGZWPQR-APPZFPTMSA-N 280.280 0.866 10 10 CCCE CCOc1cccc(CN2C[C@H](N)[C@@H]3COC[C@H]32)c1O 2158358809 SVZHNRKHHSOQCU-RWMBFGLXSA-N 278.352 0.949 10 10 CCCE CN(C)c1ccc(CNC(=O)[C@@H]2CCOC[C@@H]2N)cc1 2159024596 NUIMSMFUAOOZAJ-KGLIPLIRSA-N 277.368 0.733 10 10 CCCE O=C(N[C@@H]1CCC[C@H]1O)[C@H]1CNc2ccccc2N1 323672664 FOYQRQOFGUQHGQ-JHJVBQTASA-N 261.325 0.922 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3CCOCCOCC3)ccc21 2159479322 RAJPGVDDDJBDEU-CYBMUJFWSA-N 277.324 0.492 10 10 CCCE COc1cccc(O)c1CNCC1CN(CC(=O)O)C1 2169329764 DCSKHCQVLZAVQC-UHFFFAOYSA-N 280.324 0.507 10 10 CCCE CO[C@@](C)(CO)CNCc1ccc(O)c(O)c1O 705350821 BUMFLMZJYOULCU-GFCCVEGCSA-N 257.286 0.290 10 10 CCCE CN1CCN(c2ccc(CN)c(F)c2)C[C@@H]1CO 687611394 SJJJUZDQKUQQEE-GFCCVEGCSA-N 253.321 0.397 10 10 CCCE Cc1cc(CO)ccc1N1CC(N2CCN(C)CC2)C1 697965982 QOWFMFNOMCEESO-UHFFFAOYSA-N 275.396 0.923 10 10 CCCE [N-]=[N+]=NCCN[C@H](C(N)=O)[C@]12CCC[C@@H]1OCC2 720235883 SIGAACLZPFAUOM-NGZCFLSTSA-N 253.306 0.699 10 10 CCCE C[C@@H](NC(=O)Nc1ccc(N)cc1)c1nc(O)n[nH]1 392546754 HBLOVBQPNPUMPD-ZCFIWIBFSA-N 262.273 0.975 10 10 CCCE C[C@H]1NC(=O)CC[C@H]1NC(=O)COc1ccc(N)cc1 392951231 URXJWTVXMMPSKW-BXKDBHETSA-N 277.324 0.431 10 10 CCCE CN1CCCc2cc(CN[C@@H]3CONC3=O)ccc21 393771473 HKKNKWRHALCEGE-GFCCVEGCSA-N 261.325 0.589 10 10 CCCE COc1ccc(CNC[C@H]2CNC(=O)C2)c(O)c1 398371177 QTOJXZGPXMRZFS-VIFPVBQESA-N 250.298 0.627 10 10 CCCE CN1CCc2cc([C@H](O)[C@H](N)CCS(C)(=O)=O)ccc21 2163070133 GSOGDFHURIRSIM-OCCSQVGLSA-N 298.408 0.474 10 10 CCCE CN(Cc1cnn(C)n1)C(=O)COc1ccc(N)cc1 2172443092 RWFMYVBBRAXVED-UHFFFAOYSA-N 275.312 0.435 10 10 CCCE COc1ccc(N2CC[C@H](N)[C@H](CO)C2)c([N+](=O)[O-])c1 2178911504 PRVONNUBCXOAHT-ONGXEEELSA-N 281.312 0.749 10 10 CCCE Nc1ccc(OCC(=O)N2CCC[C@@H]3CNC[C@H]32)cc1 2191729647 HFDQQWCQHUHWKC-BXUZGUMPSA-N 275.352 0.858 10 10 CCCE Nc1cc2c(cc1N1C[C@H]3CCN[C@H]3C1)CCC(=O)N2 2191849419 OLIGKAWIYCGSNY-MFKMUULPSA-N 272.352 0.952 10 10 CCCE CN(C[C@H]1C[C@H]1F)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 2188324210 JYURSWJHXUKZNH-MXWKQRLJSA-N 282.315 0.784 10 10 CCCE CN1C[C@H](N(C)Cc2cc3c(cc2O)OCO3)CC1=O 2188463867 MJBLRPPPNBMROE-SNVBAGLBSA-N 278.308 0.783 10 10 CCCE C[C@H](c1ccccc1O)N1CC[C@@](O)(C(=O)O)[C@H](O)C1 2197473437 MIHKGUFPVBMRHG-IUPBHXKESA-N 281.308 0.336 10 10 CCCE Oc1cc(CNCCCN2CCOCC2)cc(O)c1O 2188906080 ZZSYDCVRIKVKNX-UHFFFAOYSA-N 282.340 0.615 10 10 CCCE O=C(N[C@H]1CCNC12CCC2)c1cc(O)c(O)c(O)c1 2188919494 NLNXFRHKOUFPOJ-NSHDSACASA-N 278.308 0.818 10 10 CCCE COc1cccc(O)c1CN[C@H](CO)CCCO 2042569546 HLXQHUQGBIDQNZ-JTQLQIEISA-N 255.314 0.624 10 10 CCCE C[C@H](c1ccccc1O)N1CC(O)(CC(=O)O)C1 2048110956 XDTIRVXCMWLLFU-SECBINFHSA-N 251.282 0.975 10 10 CCCE Cn1nnc2cccc([C@@H](NCCN=[N+]=[N-])C(=O)O)c21 2184274328 VDHTUNYJXDLRED-SECBINFHSA-N 275.272 0.994 10 10 CCCE Nc1ccc(CCNS(=O)(=O)C2CC(=O)C2)cc1 2053158786 KIJCGYNBIRGDIO-UHFFFAOYSA-N 268.338 0.462 10 10 CCCE CO[C@@H]1CN([C@H](C)c2c(O)cccc2O)C[C@H]1N 2058777817 YFQUUNQMJCMCOA-KBVBSXBZSA-N 252.314 0.817 10 10 CCCE Cc1cc(N2CCC[C@@H]2[C@@H](O)CO)ccc1CN 2059280213 NAIAMMHURXLMTJ-KGLIPLIRSA-N 250.342 0.776 10 10 CCCE C[C@H]1[C@@H](C)N(C)CC[C@@]1(NCCN=[N+]=[N-])C(N)=O 2073368856 KTVGLPLKQPGYGB-NGZCFLSTSA-N 254.338 0.471 10 10 CCCE COc1ccc(N2C[C@@H](O)C[C@@H](N)C2)c(F)c1F 2081864300 NXQOBRYSTGWKPH-SFYZADRCSA-N 258.268 0.872 10 10 CCCE CCn1ncnc1[C@@H](O)[C@H](NC)c1ccccc1O 2111728206 AVHNAGDTOFTDAY-NEPJUHHUSA-N 262.313 0.998 10 10 CCCE CN(Cc1ccc(N)cc1)C(=O)CN1CCOCC1 2092472238 LHTOCAXULSAQDB-UHFFFAOYSA-N 263.341 0.559 10 10 CCCE CN(CCN=[N+]=[N-])C(=O)c1nn(C)nc1Br 2210979291 VNMFINRVEAHJKO-UHFFFAOYSA-N 288.109 0.960 10 10 CCCE Cc1cccc(CNC(=O)[C@@H](N)Cc2cnc[nH]2)c1O 2204623127 QWJOHVNZYGSAEM-LBPRGKRZSA-N 274.324 0.610 10 10 CCCE CCO[C@H]1CNC[C@H]1C(=O)NCc1cccc(C)c1O 2204606752 UFJCNIZMINTEJV-OLZOCXBDSA-N 278.352 0.941 10 10 CCCE Cc1cccc(CN[C@H]2CCN(CC(=O)O)C2=O)c1O 2204621582 GNOBFLGGZFAMRT-NSHDSACASA-N 278.308 0.476 10 10 CCCE COc1ccc(N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1C 2206573434 ZZVNZKPHVOQNMF-QWHCGFSZSA-N 275.352 0.752 10 10 CCCE COc1ccc(N2CC[C@@H](O)[C@H](O)C2)c(C=O)c1 2220426203 KODBPLPDMVXPOK-CHWSQXEVSA-N 251.282 0.440 10 10 CCCE CP(C)(=O)[C@@H](O)Cn1ccc2c(c1=O)CNCC2 2221536249 ZQNRKZIPEFYOQU-LLVKDONJSA-N 270.269 0.435 10 10 CCCE Cc1nn[nH]c1CCNC(=O)CCc1ccc(N)cc1 2234654360 VHOBSFZQGRKBFI-UHFFFAOYSA-N 273.340 0.987 10 10 CCCE COc1ccc(N2CC(=O)N[C@H]3CC[C@@H]32)c(C=O)c1 2227696159 MDVGXRYSKOHYLC-AAEUAGOBSA-N 260.293 0.975 10 10 CCCE CN(C)c1ccc([C@H](O)C2CN(C3CNC3)C2)cc1 2269086035 PFNURMPCZPFDDI-HNNXBMFYSA-N 261.369 0.690 10 10 CCCE C[C@@H](O)CN(CCN)C(=O)CCOc1ccc(N)cc1 2285339907 WZHYTLOKKPFTLV-LLVKDONJSA-N 281.356 0.206 10 10 CCCE Cc1ccc(O)c(CN2CC[C@]3(C2)NC(=O)NC3=O)c1 371315804 WSRFVNCOFDRPJA-CQSZACIVSA-N 275.308 0.485 10 10 CCCE CCN1CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1 586731267 PJLRZDZSCKBLMY-UHFFFAOYSA-N 266.297 0.581 10 10 CCCE CN1C[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)CCC1=O 1148590042 WHDVCYVVYKXMRX-QMMMGPOBSA-N 280.280 0.154 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)C[C@H]2N[C@@H]3CC[C@H]2C3)C1 2309914136 FJYAYSUIANWHPP-KKJSVHSVSA-N 250.342 0.783 10 10 CCCE Cc1cccc(CNS(=O)(=O)[C@@H]2CC[C@H]2N)c1O 2316356535 YLWKXBRJFZEDLA-GHMZBOCLSA-N 270.354 0.610 10 10 CCCE CSc1ncc(CN[C@]2(C(=O)O)COC[C@H]2N)s1 2324963860 FOBBXCYHEIWHJV-GMSGAONNSA-N 289.382 0.136 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N3C[C@@H](O)[C@H](C)C3)ccc21 2328700014 LPGQHIYCMOFINX-BZHVJNSISA-N 261.325 0.716 10 10 CCCE C[C@@H](N[C@@H]1CCO[C@@H]1C(N)=O)c1ccc(O)cc1O 2330457884 YPDUKIWRUOJUEM-XXFPWJFMSA-N 266.297 0.391 10 10 CCCE CN1C[C@H](N2CCc3cc(O)c(O)cc3C2)[C@H](O)C1 2341215148 URGLZJCHJQMHHB-SMDDNHRTSA-N 264.325 0.131 10 10 CCCE NC[C@]12C[C@H](C1)[C@@H](C(=O)C(=O)C[C@H]1C[C@H](N)C1)CO2 2342983019 MYMYDGSMDYKFOH-MMROJZCPSA-N 266.341 0.006 10 10 CCCE C[C@H]1[C@H](C)N(C(=O)c2cc(O)nc(O)c2)CC[C@H]1O 2344376411 AUINNNMSESEJNH-OYNCUSHFSA-N 266.297 0.724 10 10 CCCE CCOC(=O)c1nnn(-c2nonc2N)c1CN=[N+]=[N-] 20168218 DBPOJCPPIJNRDY-UHFFFAOYSA-N 279.220 0.220 10 10 CCCE CC[C@H](O)CNS(=O)(=O)Cc1ccc(N)cc1 124145042 BONDENWZEHICNI-NSHDSACASA-N 258.343 0.459 10 10 CCCE COc1ccc(N2CCN(C(=O)[C@H]3CCNC3)CC2)cc1 62112300 WYGMCEXGHIPDQZ-ZDUSSCGKSA-N 289.379 0.953 10 10 CCCE C[C@@H](N)c1ccc(N2[C@H]3CC[C@H]2[C@@H](O)[C@@H](O)C3)cc1O 2357056492 KFCFJUOKZIAEHT-OUFDTPEASA-N 278.352 0.875 10 10 CCCE CC1(C)[C@H](O)C[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 1148591232 VPGHLBGNUVUYQI-NXEZZACHSA-N 267.281 0.693 10 10 CCCE CCCN(CC(=O)NC)C[C@@H](O)COc1ccc(N)cc1 42403638 KYJDFNSTCDVWDG-CYBMUJFWSA-N 295.383 0.467 10 10 CCCE CC(=O)C(=O)[C@@]1(O)CC[C@H]1CNC(=O)OC(C)(C)C 1953770550 KLMNVKCILZBLFJ-TVQRCGJNSA-N 271.313 0.810 10 10 CCCE CCCN(CC(=O)NC)CC(=O)N(C)c1ccc(N)cc1 42403705 ROWBDBUNHCERHN-UHFFFAOYSA-N 292.383 0.690 10 10 CCCE NC(=O)CNC(=O)/C=C\c1ccc(N2CCOCC2)cc1 255092400 OIRMOGLXZKVVKC-UTCJRWHESA-N 289.335 0.138 10 10 CCCE N[C@H](c1ccccc1O)[C@@H](O)c1cn2c(n1)COCC2 2166152716 WPIBYGWUHCREPE-KGLIPLIRSA-N 275.308 0.852 10 10 CCCE CCn1ncc(C(=O)OCC(=O)c2ccc(O)c(O)c2)n1 815427616 FYQAVVDEEHJOQC-UHFFFAOYSA-N 291.263 0.749 10 10 CCCE CN(C)c1ccc(CNC(=O)[C@H]2[C@@H]3C[C@H]2CN3)cc1 712194998 VJILGBNKZZIZDY-FPMFFAJLSA-N 259.353 0.977 10 10 CCCE CCN[C@H]1CCCN(C(=O)c2cc(O)nc(O)c2)C1 721620415 APHYVVCYYZEAAW-JTQLQIEISA-N 265.313 0.707 10 10 CCCE CCCNC[C@H](C)N(C)C(=O)c1cc(O)nc(O)c1 721626666 YMCWDKQWPVWNPR-VIFPVBQESA-N 267.329 0.953 10 10 CCCE COc1ccc(O)c(CNC(=O)Cc2cnnn2C)c1 830545385 YCFCUQLYUYRKAN-UHFFFAOYSA-N 276.296 0.388 10 10 CCCE CCOc1ccc([C@@H]2NC(=O)[C@H](COC)N2C)c(O)c1 840828272 HKLRVMYJINNKNH-WCQYABFASA-N 280.324 0.866 10 10 CCCE COC(=O)[C@@H]1CN(C(=O)c2cc(O)cs2)C[C@@H](C)O1 862866261 CYYICOPQNIPOKN-APPZFPTMSA-N 285.321 0.856 10 10 CCCE NC[C@@H]1C[C@@H](F)CN1c1cc2c(cc1N)OCCO2 1876215695 PKURJGDNRIXYSH-BDAKNGLRSA-N 267.304 0.916 10 10 CCCE CN(C(=O)CCOc1ccc(N)cc1)[C@@H]1CC[C@H]1N 1876446359 IBFJFWAOUPOXSA-CHWSQXEVSA-N 263.341 0.986 10 10 CCCE C[C@H](NC(=O)[C@H]1C[C@@H](O)CCN1)c1ccccc1O 1877590011 PMFKEAPIBWGZDG-JBLDHEPKSA-N 264.325 0.682 10 10 CCCE NC[C@@]1(CNC(=O)c2cccc(O)c2O)CCCO1 1879599998 MFDHAIVENFDCOZ-CYBMUJFWSA-N 266.297 0.336 10 10 CCCE CN1CCN(CCN=[N+]=[N-])[C@@H](CNC(=O)C(F)(F)F)C1 1957250628 QZYBZGDSBPDHDF-QMMMGPOBSA-N 294.281 0.591 10 10 CCCE CN1CCN[C@@H](Cc2nccn2-c2ccc(N)cc2)C1 76168188 USCCGBXOWVHNAM-ZDUSSCGKSA-N 271.368 0.901 10 10 CCCE COc1ccc2c(c1)N[C@H](C)CN2C[C@H](O)CO 76928024 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CCCE Nc1ccc(CCCN2C[C@H](O)C[C@H]2C(=O)O)cc1 2123046298 NMDQSAPRCZKLHC-OLZOCXBDSA-N 264.325 0.721 10 10 CCCE O=C(c1cc(O)cs1)N1CC(N[C@H]2CCOC2)C1 1645425348 GMKDNAGGZMDXKP-QMMMGPOBSA-N 268.338 0.657 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CCCC[C@@H](O)C1 2132348523 NOTMVTIZRMAESQ-SECBINFHSA-N 267.281 0.790 10 10 CCCE COc1ccc(N2C[C@@H](C)NC[C@@H]2CO)cc1OC 251539443 BIXHJMUVPDUALV-ZYHUDNBSSA-N 266.341 0.863 10 10 CCCE CN1C(=O)CO[C@H]2CCN(c3ccc(N)cc3)C[C@@H]21 2129102449 IPRQSGZWKHHPEK-STQMWFEESA-N 261.325 0.705 10 10 CCCE COC[C@H]1C[C@@H]1CNC(=O)c1cc(O)c(O)c(O)c1 2133508281 IKPUNXHQXOYJNO-RKDXNWHRSA-N 267.281 0.816 10 10 CCCE CCO[C@@H]1CS(=O)(=O)C[C@H]1N1CCC[C@@H](N=[N+]=[N-])C1 1912155341 PQVADCCZZCTHEM-GMTAPVOTSA-N 288.373 0.963 10 10 CCCE Cn1ncc(S(=O)(=O)N2CCC[C@H]2CN=[N+]=[N-])n1 1912176261 WTZVSRMMNAWZFY-ZETCQYMHSA-N 271.306 0.279 10 10 CCCE CO[C@H]1CCN[C@H](C(=O)NCc2ccccc2O)C1 1966878196 MHZJTHZLMHVINY-RYUDHWBXSA-N 264.325 0.775 10 10 CCCE C[C@@H](c1cc(O)ccc1O)N1CC(CO)(C(=O)O)C1 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O=C(c1cccc(O)c1O)N1C[C@H]2[C@H](O)CC[C@H]2C1 126527776 GWJOWCSDUAFIQL-JMJZKYOTSA-N 263.293 0.941 10 10 CCCE C[C@H](CN1CCCC1=O)NCc1ccc(O)c(O)c1O 235447040 GLLIZFNHBJAVRJ-SECBINFHSA-N 280.324 0.904 10 10 CCCE CN(Cc1cc(N)ccc1O)C1CS(=O)(=O)C1 1946847914 BSTDPWXNIGLDDY-UHFFFAOYSA-N 256.327 0.203 10 10 CCCE CCOC(=O)C1(Cc2cccc(O)c2O)CNC1 1951964601 UXQJAMYGZFDJNX-UHFFFAOYSA-N 251.282 0.793 10 10 CCCE CC(C)(C[C@@H](N)C(=O)O)c1ccc(O)c(O)c1O 1952437353 RBBVNRTYUFPSNO-SSDOTTSWSA-N 255.270 0.883 10 10 CCCE CN(C(=O)Cc1ccc(N)cc1)[C@H]1CCCNC1=O 1972214471 GOAMCPZJJYGRGX-LBPRGKRZSA-N 261.325 0.548 10 10 CCCE C[C@@H](c1ccccc1O)N(C)C(=O)[C@@H](N)CC(N)=O 37826581 XNPFSUVVTPGBFF-WPRPVWTQSA-N 265.313 0.114 10 10 CCCE CC(C)N(CC(N)=O)c1cc2c(cc1N)OCCO2 42428311 LLVICRXSUXCDDL-UHFFFAOYSA-N 265.313 0.740 10 10 CCCE O=C(NC[C@@H]1CO[C@H]2COC[C@@H]12)c1cccc(O)c1O 2158066142 REWDEVZPUWOGRG-QRTLGDNMSA-N 279.292 0.489 10 10 CCCE COC[C@@H](NCc1ccc2c(c1)CCCN2C)C(N)=O 2152358551 LGRDCZWRAKLVJO-CYBMUJFWSA-N 277.368 0.659 10 10 CCCE Nc1ccc(OCCNc2cncc3nnnn23)cc1 44610727 ACUXEJVOGIQUOK-UHFFFAOYSA-N 271.284 0.592 10 10 CCCE C[C@H](NC(=O)Nc1ccc(N)cc1)S(C)(=O)=O 2024039959 OTQZNSVHNDNQLL-SSDOTTSWSA-N 257.315 0.781 10 10 CCCE C[C@H]1CCC(=O)CN1C(=O)c1cc(O)nc(O)c1 2027059124 XKPFAFVABFOWPI-ZETCQYMHSA-N 250.254 0.686 10 10 CCCE C[C@@H](C(=O)Cc1ccc(N)cc1)S(=O)(=O)N(C)C 2029074029 ICDYZGYXJCZCCJ-VIFPVBQESA-N 270.354 0.660 10 10 CCCE COc1ccc(CN[C@@H]2CN(C)C[C@H]2O)c(O)c1 2029866893 MBIOBYLHMMQBMM-DGCLKSJQSA-N 252.314 0.165 10 10 CCCE C[C@H](N)[C@H]1CCCN1C(=O)c1cc(O)nc(O)c1 2032069476 YGKWXSOECUZKPT-IONNQARKSA-N 251.286 0.445 10 10 CCCE CN1CCN(Cc2ccc(N)cc2)S(=O)(=O)CC1 2037355795 IUOXZWDPXXTAAW-UHFFFAOYSA-N 269.370 0.346 10 10 CCCE C[C@H](N)c1ccc(N2CCC[C@@](O)(CO)C2)cc1O 314198800 PEPRAECEUVXSOF-HZMBPMFUSA-N 266.341 0.736 10 10 CCCE CCO[C@@H]1COCC[C@]1(NCCN=[N+]=[N-])C(=O)O 686600800 WORZPGAPSCEWNP-PSASIEDQSA-N 258.278 0.535 10 10 CCCE COc1ccc(N2CCN(C)[C@@H](CO)C2)c([N+](=O)[O-])c1 687607725 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CN[C@@H]1CC[C@@H]1CNC(=O)c1ccc(O)c(O)c1 2053087998 YGOUTXGLECPXDI-NXEZZACHSA-N 250.298 0.826 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN1CCN1C(=O)CNC1=O 2059053414 MMYBODXSOOOHFE-MRVPVSSYSA-N 252.278 0.313 10 10 CCCE COc1ccc(N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c(N)c1 2191589657 HNFBNJWEWGAONZ-SKDRFNHKSA-N 276.340 0.026 10 10 CCCE NC(=S)c1c[nH]ccc1=NC(=O)c1cccc(O)c1O 2186619148 TZHIZLLLQWQYGM-UHFFFAOYSA-N 289.316 0.801 10 10 CCCE COc1ccc(N2C[C@@H](O)CC23CNC3)c([N+](=O)[O-])c1 2186611000 PGIWUHOQAMIHDS-VIFPVBQESA-N 279.296 0.516 10 10 CCCE COC(=O)c1cccc(N)c1N[C@@H]1CCO[C@H](CN)C1 2191698190 NFNAUWWAAQGWCE-ZJUUUORDSA-N 279.340 0.974 10 10 CCCE C[C@@H](N)[C@@H]1CN(S(=O)(=O)Cc2ccc(N)cc2)CCO1 2191766609 YKLMNBOUAZRCHU-MFKMUULPSA-N 299.396 0.147 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@H]2COC[C@H]2F)cc1 2071572256 SFSKARCFRWRCSU-MNOVXSKESA-N 274.317 0.425 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC[C@@H](O)[C@@H]2C2CC2)cc1 2187153933 JTVQYBMRCAWYIC-KGLIPLIRSA-N 296.392 0.944 10 10 CCCE COc1cccc(O)c1CNC1(CO)CC(O)C1 2073600226 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COc1ccc(N2C[C@H](O)C[C@@H](O)C2)c(OC)c1 2219643052 MZCICILUSFQFFK-NXEZZACHSA-N 253.298 0.636 10 10 CCCE COc1ccc(N2CC[C@H](O)[C@@H](O)C2)c(CO)c1 2220433368 ZMNKGYNSQWJOND-STQMWFEESA-N 253.298 0.119 10 10 CCCE NCc1n[nH]cc1C(=O)NCCc1ccc(O)c(O)c1 2235293605 BVRDTGLTHGMFST-UHFFFAOYSA-N 276.296 0.252 10 10 CCCE COc1ccc(N2C[C@@H]3CN[C@@H](CO)[C@H]3C2)cc1OC 2235555782 VORMOEAUIBYTTH-DRZSPHRISA-N 278.352 0.720 10 10 CCCE COc1ccc(N2CCN3C[C@@H](O)C[C@@H]3C2)c(C=O)c1 2235984435 VBIFCXFJOJWMMZ-OLZOCXBDSA-N 276.336 0.763 10 10 CCCE COc1ccc(N2CCC([C@@H](O)CO)CC2)c(CO)c1 2236001609 HVFLFUUCVYDNJV-HNNXBMFYSA-N 281.352 0.757 10 10 CCCE NCCCN1CCN(Cc2ccc(O)c(O)c2)CC1 2226064221 QFASJOMSCQEBDP-UHFFFAOYSA-N 265.357 0.564 10 10 CCCE O=C(N[C@@H]1CCn2cnnc2C1)c1cccc(O)c1O 2236557334 RVKDNJZBPMQIBA-MRVPVSSYSA-N 274.280 0.434 10 10 CCCE C[C@@]1(CC(=O)O)CCN1C(=O)c1cc(O)nc(O)c1 2229492714 JDBKZQZDFWHUNF-LBPRGKRZSA-N 266.253 0.572 10 10 CCCE CSc1ncc(CNC(=O)[C@@H](O)[C@H](C)N)s1 2243799033 JCNVHUFXXMDSRJ-FSPLSTOPSA-N 261.372 0.189 10 10 CCCE CSc1ncc(CNC(=O)[C@H](N)[C@@H]2CCCO2)s1 2256939934 JZQXQOPPZWLBDR-DTWKUNHWSA-N 287.410 0.988 10 10 CCCE Cc1cc(N2C[C@H]3C[C@H]2[C@@H](O)[C@H]3O)ccc1[C@H](C)O 2269687089 JHBWICNIJYCBIT-GHBALNIRSA-N 263.337 0.979 10 10 CCCE O=[N+]([O-])c1cc(CO)ccc1N1CC[C@H](O)[C@@H](O)CC1 2284544079 LPZNQYSMAIMHME-STQMWFEESA-N 282.296 0.409 10 10 CCCE Cc1cc(N2C[C@@H]3C(=O)NC(=O)[C@H]3C2)ccc1[C@@H](C)N 2285123848 JAPWYEMQVCCMLF-ICCXJUOJSA-N 273.336 0.724 10 10 CCCE COCCN(C[C@H](C)O)c1ccc2c(c1)NC(=O)[C@@H]2N 2288053085 CCSIDKXOVQWMSC-TVQRCGJNSA-N 279.340 0.472 10 10 CCCE CC[C@@H](N)c1ccc(N2CC3(CNC(=O)CO3)C2)cc1 2289733265 MHWGOSGPQSJXGO-CYBMUJFWSA-N 275.352 0.802 10 10 CCCE O=S1(=O)C[C@@H]2CN(Cc3ccccc3O)C[C@@H]21 2299797041 UTSNYLAHQKASNT-JQWIXIFHSA-N 253.323 0.621 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CCn2cnnc2C1 1148580189 GACZBEPPQIHCGS-UHFFFAOYSA-N 276.252 0.051 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)[C@@H]2C[C@@H]3CNC[C@@H]3C2)C1 2309419696 VMDAAQYOOCTJLP-SOEHQHRVSA-N 250.342 0.498 10 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N[C@H](c1ccccc1O)C1[C@H]2CS(=O)(=O)C[C@H]12 2006135640 ATQOBTUHSIDIDF-HOTUBEGUSA-N 253.323 0.683 10 10 CCCE COC[C@@]1(O)CCN(c2cc3c(cc2N)OCCO3)C1 2151878523 VKLULLXYEYMYBT-CQSZACIVSA-N 280.324 0.628 10 10 CCCE COCCNC(=O)CN(c1ccc(CN)cc1)C1CC1 49278076 DWURJEPDSFPNOL-UHFFFAOYSA-N 277.368 0.877 10 10 CCCE CC(C)(O)COCCNC(=O)COc1ccc(N)cc1 2155385613 SGHLDUAXKKRGBT-UHFFFAOYSA-N 282.340 0.551 10 10 CCCE C[C@@H](CC(N)=O)N(C)CCOc1ccc(N)cc1 2033933184 KHADCJCFPCJTBJ-JTQLQIEISA-N 251.330 0.843 10 10 CCCE CNCc1cc(F)c(N2C[C@H]3C[C@H]2[C@H](O)[C@H]3O)c(F)c1 2160716393 MGUXFGLASCBYHX-DWVUBDKYSA-N 284.306 0.615 10 10 CCCE C[C@H](O)c1ccc(N2C[C@@H](O)C[C@@H](O)C2)c([N+](=O)[O-])c1 2161394372 QNMWWMJIZHFPPZ-INTQDDNPSA-N 282.296 0.580 10 10 CCCE COc1ccc(N2CCC[C@H](NS(C)(=O)=O)C2)c(N)c1 702993553 LMMDXQGUAZRYKJ-JTQLQIEISA-N 299.396 0.795 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3[C@H](CO)[C@H]4CC[C@@H]3C4)ccc21 2178689822 UJNGRNHAZBJBFZ-DZLLMUEISA-N 273.336 0.988 10 10 CCCE COc1cccc(O)c1CNCC1CN(C2COC2)C1 2171152135 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10 10 CCCE CC(C)[C@@H](N)CNC(=O)COc1ccc(N)cc1 2071731733 PDJHRDHZYLIRRP-LBPRGKRZSA-N 251.330 0.747 10 10 CCCE COC(=O)[C@H](O)CN(C)[C@H](C)c1ccccc1O 2072464264 ZLSWIEKJXSPGQB-BXKDBHETSA-N 253.298 0.919 10 10 CCCE C[C@@]1(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)COCCO1 2078530837 UOKSSOFTHAJKFI-KOLCDFICSA-N 254.290 0.951 10 10 CCCE CN[C@@H](C)c1ccc(N2C[C@@H](O)C[C@@H](O)C2)cc1O 2105073909 MXLRSDQEWHMFGL-ZMLRMANQSA-N 266.341 0.605 10 10 CCCE CN(C)c1ccc([C@H](O)[C@H]2CN3CCN2CC3)cc1 2106790962 NQILLLYKGVKQFB-CABCVRRESA-N 261.369 0.786 10 10 CCCE COC(=O)c1nonc1/N=N\c1nonc1C(=O)OC 102017055 SXDAPMUCWINHKD-KTKRTIGZSA-N 282.172 0.441 10 10 CCCE C[C@H](NC1CN(S(C)(=O)=O)C1)c1cc(F)ccc1O 2089191432 YSLGVRZZAUJMHF-QMMMGPOBSA-N 288.344 0.826 10 10 CCCE N[C@H]1C=C[C@@H](C(=O)NCCc2ccc(O)c(O)c2)C1 2091746715 GNYZECNVTFBEFE-MNOVXSKESA-N 262.309 0.660 10 10 CCCE CC1(C)C[C@H](N)CCN1C(=O)c1cc(O)nc(O)c1 2098843673 KSTCSXKQPHLJOG-SECBINFHSA-N 265.313 0.835 10 10 CCCE CNC(=O)NC(=O)[C@H](C)N1CCC[C@@H](N=[N+]=[N-])CC1 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COc1ccc(N2CC(O)(CN)C2)c(OC)c1C 2263572992 CFDNVLYWONLOGF-UHFFFAOYSA-N 252.314 0.522 10 10 CCCE O=C(O)[C@@H]1CC[C@@H](O)CN1Cc1cc(F)ccc1O 2264524390 KCBFBRVGNFRXOT-MNOVXSKESA-N 269.272 0.941 10 10 CCCE NC1C[C@H]2COC[C@@H](C1)N2C(=O)c1ccc(O)c(O)c1 2285839306 MCAYKESKZMBMDR-FGWVZKOKSA-N 278.308 0.429 10 10 CCCE CC(C)S(=O)(=O)N(C)Nc1ncc(C(N)=O)s1 2301543678 BAXRMMIBIAWEET-UHFFFAOYSA-N 278.359 0.239 10 10 CCCE COc1ccc(N(C)[C@]2(C(=O)O)CN[C@@H]2C)cc1 2323458809 PLHFVUXEZWTMJS-NOZJJQNGSA-N 250.298 0.947 10 10 CCCE NS(=O)(=O)CCCN1CCc2cc(O)c(O)cc2C1 2341194761 YCPOJOGGRPJJEF-UHFFFAOYSA-N 286.353 0.135 10 10 CCCE NCc1ccc(N2C[C@@H]3C[C@H]2[C@@H](O)[C@H](O)C3)c(F)c1F 2355333950 ILNNMFYYDJFZBZ-VTEVMWQTSA-N 284.306 0.744 10 10 CCCE CCOc1cccc(CNCCOC(N)=O)c1O 135193034 FZKRTVDZOXVXGS-UHFFFAOYSA-N 254.286 0.976 10 10 CCCE CCNc1nc(=O)n([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)cc1C 66087503 TXRRVNODEOVMHL-OPRDCNLKSA-N 294.315 0.942 10 10 CCCE COCCNC(=O)[C@@H](C)OC(=O)COc1ccc(N)cc1 41093724 CTHLBAALQRJXAP-SNVBAGLBSA-N 296.323 0.342 10 10 CCCE CC[C@H]1CNCC[C@]1(NCCN=[N+]=[N-])C(=O)OC 229764656 USMXUDYJJHNDNY-GXSJLCMTSA-N 255.322 0.818 10 10 CCCE COC(=O)N[C@H]1CCN(C(=O)COc2ccc(N)cc2)C1 133288950 TYJQCELGXBNXRQ-NSHDSACASA-N 293.323 0.605 10 10 CCCE C[C@H](NCCS(N)(=O)=O)c1cc(F)ccc1O 94617107 VKKDBENQJSYMMR-ZETCQYMHSA-N 262.306 0.470 10 10 CCCE CCOc1ccc(O)c([C@H]2NC(=O)[C@@H]3COCCN32)c1 93884805 AQNVNULSBFPBEY-AAEUAGOBSA-N 278.308 0.620 10 10 CCCE CN(C)c1ccc([C@@H](O)C[C@@H]2CS(=O)(=O)CCN2)cc1 2163064693 YEOADDLYKONDER-OCCSQVGLSA-N 298.408 0.563 10 10 CCCE CC(=O)C(=O)COC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 808501086 DSWATBCIHNSWMF-ZETCQYMHSA-N 295.213 0.099 10 10 CCCE O=C1CN(c2ccc(CO)cc2[N+](=O)[O-])[C@@H]2CC[C@@H]2N1 2168363126 MYBJIZOPCMDBGH-VHSXEESVSA-N 277.280 0.554 10 10 CCCE N[C@H]1CC[C@@H](C(=O)O)N(Cc2ccc(O)c(O)c2)C1 2132271819 AGWFYGOKSKBSEQ-UWVGGRQHSA-N 266.297 0.474 10 10 CCCE COc1ccc(N2CC[C@@H](N3C(=O)CNC3=O)C2)cc1 849356940 IEAVGOKNRVVUSA-LLVKDONJSA-N 275.308 0.826 10 10 CCCE CN1CCCc2cc(CNS(=O)(=O)C3CNC3)ccc21 923602407 OPZCKIVMMLSTJR-UHFFFAOYSA-N 295.408 0.460 10 10 CCCE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@]1(O)CCOC1 935944866 BCZMBEDGCTVDRO-CQSZACIVSA-N 286.324 0.646 10 10 CCCE O=C1NCC[C@@H]1C(=O)NCc1ccc2cccnc2c1O 862025501 WOVGBERQCWQLIW-NSHDSACASA-N 285.303 0.693 10 10 CCCE CCOCCOCC(=O)NCc1cccc(O)c1O 1123889967 SGQXJTZOTGOSHL-UHFFFAOYSA-N 269.297 0.767 10 10 CCCE O=C(N[C@@H]1CCOC[C@H]1CO)c1ccc(O)c(O)c1 1878695515 IMRJZYBNCNXGAE-NXEZZACHSA-N 267.281 0.225 10 10 CCCE Cc1nn(CC(=O)NCc2cc(Cl)ccc2O)c(=O)o1 880540364 XTUQYRZBBZLNOQ-UHFFFAOYSA-N 297.698 0.820 10 10 CCCE C[C@@H](NS(=O)(=O)CCOCCN)c1ccccc1O 1877587040 MTWUKYGWHZIDFH-SNVBAGLBSA-N 288.369 0.348 10 10 CCCE CN1CC[C@H](CNC(=O)c2ccc(O)c(O)c2)C1=O 1880927101 JESMVOOOCIVPDS-SECBINFHSA-N 264.281 0.306 10 10 CCCE C[C@H](N)c1cc(F)c(N2C[C@@H](O)C[C@H]2CO)c(F)c1 1880932281 SQIFSXPYZZCUHZ-HGNGGELXSA-N 272.295 0.916 10 10 CCCE CC[C@@H](CO)CNC(=O)Cc1ccc(O)c(O)c1 1963168059 PJZCHBVFNIWOGF-SECBINFHSA-N 253.298 0.775 10 10 CCCE C[C@H]1Oc2ccc(N3CCNCC3)cc2N(C)C1=O 82570358 IZPFDXWILQHWSW-SNVBAGLBSA-N 261.325 0.840 10 10 CCCE CN(C[C@H]1C[C@@H](O)C1)C(=O)c1cc(O)c(O)c(O)c1 2132351218 VJWVWCCILUNYAT-OTSSQURYSA-N 267.281 0.646 10 10 CCCE Cc1cc(NC(=O)Cc2ccc(N)cc2)n(CCO)n1 169819316 LWSLYQVQZZXMAP-UHFFFAOYSA-N 274.324 0.947 10 10 CCCE COc1cc(N)c(N(C)C2CC(C(N)=O)C2)cc1OC 703506611 RZOQUDVRECGBBT-UHFFFAOYSA-N 279.340 0.986 10 10 CCCE C[C@@H](O)c1ccc(N2CCN(C)[C@@H](CO)C2)cc1 687595562 MXOGCWDODZADGB-BXUZGUMPSA-N 250.342 0.853 10 10 CCCE O=C1CN(c2ccc(OCC3CC3)cc2)CC(=O)N1 690257122 UQIMQRXTKBKODZ-UHFFFAOYSA-N 260.293 0.938 10 10 CCCE COCCN(CCF)C[C@H](O)COc1ccc(N)cc1 697312191 YISZAJOFPOMOHN-ZDUSSCGKSA-N 286.347 0.926 10 10 CCCE CS(=O)(=O)C1(C(=O)NCCCCN=[N+]=[N-])CC1 1963732923 TXVXDUZWTLJRNZ-UHFFFAOYSA-N 260.319 0.770 10 10 CCCE COc1ccc(CNC(=O)Cn2nccc2N)c(O)c1 1448379304 HDLDWAYLHNLRJS-UHFFFAOYSA-N 276.296 0.496 10 10 CCCE CN1C(=O)O[C@@H]2CN(c3ccc(CO)cc3F)C[C@@H]21 2120399296 DNZFETWAQVEHKB-NWDGAFQWSA-N 266.272 0.957 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3CC=C[C@H]3CO)ccc21 2119815657 MLJINZURIQJJSQ-GWCFXTLKSA-N 259.309 0.636 10 10 CCCE Nc1ccc(OC[C@H](O)CN2CC=C[C@H]2CO)cc1 2119816718 VSUWNFIGPOWGKV-QWHCGFSZSA-N 264.325 0.241 10 10 CCCE Cn1cccc([C@H](O)[C@@H](N)c2ccccc2O)c1=O 2121262697 FKGUUGYNEOVSLQ-STQMWFEESA-N 260.293 0.824 10 10 CCCE COc1ccc(N2C[C@H](C)CNC(=O)[C@@H]2CO)cc1 217098049 GIISFZVAMDTZLM-MFKMUULPSA-N 264.325 0.628 10 10 CCCE O=C(NCc1ccc(O)c(O)c1)c1nsnc1O 1622643410 NUCIMRDHEZKLHK-UHFFFAOYSA-N 267.266 0.585 10 10 CCCE C[C@H]1[C@H](O)CN1S(=O)(=O)CCOc1ccc(N)cc1 2126118780 GCNHMQHTUFDKMP-JOYOIKCWSA-N 286.353 0.042 10 10 CCCE CC(C)N1CCN(CCOc2ccc(N)cc2)C(=O)C1=O 158149045 CUGUBDSBWBDMGB-UHFFFAOYSA-N 291.351 0.727 10 10 CCCE O=C(NCc1ccccc1O)[C@H]1CNC2(CC2)CO1 2127531394 HHIYFVPENLRGJP-GFCCVEGCSA-N 262.309 0.529 10 10 CCCE [N-]=[N+]=NCCN[C@]1(C(N)=O)CCN2CCC[C@H]2C1 156576255 GXVSEWAFOWBMRN-GXSJLCMTSA-N 252.322 0.369 10 10 CCCE Cc1cc(NS(=O)(=O)N2CC[C@H](O)C2)c(C)cc1O 1914122487 HUWTYSQIFLFULE-JTQLQIEISA-N 286.353 0.732 10 10 CCCE C[C@](O)(CCO)CNCc1cc(F)cc(F)c1O 1966084197 KSMVNFOCBCHCKB-LBPRGKRZSA-N 261.268 0.893 10 10 CCCE CN[C@H](C)c1ccc(N(C)[C@@H]2CCNC2=O)cc1O 1916801660 MRIXIXBYQWDEDV-BXKDBHETSA-N 263.341 0.997 10 10 CCCE O=C(NC1C[C@@H]2CCC[C@H](C1)N2)c1cc(O)nc(O)c1 1922286808 KHZSZVMTVAEKCJ-ZACCUICWSA-N 277.324 0.896 10 10 CCCE CC1(C)CO[C@H](C(=O)NCc2ccccc2O)CN1 1966878269 MZDGCGPVAGZFTL-LBPRGKRZSA-N 264.325 0.775 10 10 CCCE N[C@@H]1CCO[C@H](CC(=O)NCc2ccccc2O)C1 1966878505 PLHQZTUIDPSGRV-NEPJUHHUSA-N 264.325 0.905 10 10 CCCE C[C@H](c1ccccc1O)N1CC(=O)NC[C@@H]1C(=O)O 2136361168 DHNXNRLYFURIRW-PSASIEDQSA-N 264.281 0.338 10 10 CCCE Nc1ccc(OCCC(=O)NCC2(CO)CC2)cc1 122242032 WMFKCLIUANMODN-UHFFFAOYSA-N 264.325 0.926 10 10 CCCE COCC[S@](=O)CCNCc1ccc(O)c(O)c1O 2142037571 NRWKMBITGQXBDY-LJQANCHMSA-N 289.353 0.288 10 10 CCCE O=S1(=O)C[C@@H](c2c(O)cccc2F)NCCN1 1952475292 DZGBZBJLDLBFOM-QMMMGPOBSA-N 260.290 0.095 10 10 CCCE COc1ccc([C@@H]2CS(=O)(=O)CCN2)c(O)c1 1952599370 HWSUZRKKPUMFSI-JTQLQIEISA-N 257.311 0.460 10 10 CCCE COc1cc([C@@H]2CNCCN(C)C2)cc(O)c1O 1952679104 YPAWGSJKLZIJHO-SNVBAGLBSA-N 252.314 0.725 10 10 CCCE COc1ccc(O)c(CN2C[C@@H](O)C[C@@H](N)C2)c1 1971881002 OPVFTJBEGHLVMQ-MNOVXSKESA-N 252.314 0.295 10 10 CCCE CN[C@H](c1ccccc1O)[C@]1(O)CCO[C@]12CCOC2 2148164576 VZEIZFZQSHVIQB-QLFBSQMISA-N 279.336 0.963 10 10 CCCE Nc1ccc(CCC(=O)NC[C@H]2COCCO2)cc1 38062448 HAEBOTSLWFRUMQ-ZDUSSCGKSA-N 264.325 0.733 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCc1ccco1 40457769 SERXBQJIQFCGRR-NSHDSACASA-N 276.292 0.877 10 10 CCCE O=C(NC[C@@H]1CO[C@@H]2COC[C@@H]21)c1cccc(O)c1O 2158066137 REWDEVZPUWOGRG-HLUHBDAQSA-N 279.292 0.489 10 10 CCCE C[C@@H]1CN(C(=O)[C@@H](N)Cc2ccc(O)c(O)c2)C[C@@H]1F 2152803360 KIOZZNPRJHOKFX-MIMYLULJSA-N 282.315 0.784 10 10 CCCE CN(CCCN)S(=O)(=O)Cc1ccc(N)cc1 2016890264 IUFZYZQWIYAJCI-UHFFFAOYSA-N 257.359 0.379 10 10 CCCE Nc1ccc(NC(=O)CN2CC[C@@H](C3OCCO3)C2)cc1 2029140046 YMFBTEBPGWUDFF-LLVKDONJSA-N 291.351 0.902 10 10 CCCE Nc1ccc(CNCCN2CCCS2(=O)=O)cc1 2031659518 DVASHKVWKOALIP-UHFFFAOYSA-N 269.370 0.394 10 10 CCCE CN(CCOc1ccc(N)cc1)CC(CO)CO 2033030198 QCNNVWFXMWISMB-UHFFFAOYSA-N 254.330 0.180 10 10 CCCE COCCN1C[C@H](O)[C@@H](N(C)CCCN=[N+]=[N-])C1 2039191547 GEJBTMYAEGHYRA-QWRGUYRKSA-N 257.338 0.310 10 10 CCCE O=C(O)[C@@H]1COCCN(Cc2ccc(O)c(O)c2)C1 700437217 ZOINGNVUKQNCKJ-JTQLQIEISA-N 267.281 0.631 10 10 CCCE Cc1cccc(O)c1CN1CC(=O)N(C)C[C@H]1C(=O)O 2160787437 YPIJOLXZNWXABZ-NSHDSACASA-N 278.308 0.428 10 10 CCCE Nc1ccc(OCC(=O)N[C@]23COC[C@@H]2C3(F)F)cc1 2161873112 YWYVNEUNGWOGDT-CMPLNLGQSA-N 284.262 0.798 10 10 CCCE COc1ccc(CN[C@H]2CCOC[C@@H]2O)c(O)c1 706722324 GRVDZPXPUVIYOQ-AAEUAGOBSA-N 253.298 0.640 10 10 CCCE C[C@@]1(CO)CCN(C(=O)COc2ccc(N)cc2)C1 381302745 RFIGGGJLRXVVJB-CQSZACIVSA-N 264.325 0.879 10 10 CCCE CCOC(=O)[C@H](O)COC(=O)Cc1ccc(N)cc1 382294305 JOSXHOIVDQNTCW-LLVKDONJSA-N 267.281 0.279 10 10 CCCE COc1cccc(CNC[C@H]2CCO[C@H]2C(=O)O)c1O 716177122 TVVTYQYMYWYEGX-ZWNOBZJWSA-N 281.308 0.980 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3C[C@H](O)C4(CCC4)C3)ccc21 2165054769 BRCBLVBEIZVOSW-QWHCGFSZSA-N 273.336 0.990 10 10 CCCE CCO[C@@H]1C[C@H]1C(=O)NCc1c(O)cc(O)cc1O 2063876325 DEKTXDCGKMBGEW-PRHODGIISA-N 267.281 0.845 10 10 CCCE Nc1cc2c(cc1N1C[C@@H]3NC(=O)O[C@H]3C1)OCCO2 2176920644 MMWRFHCGRVAZMZ-UFBFGSQYSA-N 277.280 0.337 10 10 CCCE Nc1ccc(NC(=O)CN2C[C@@H]3C[C@H](CO)[C@@H]3C2)cc1 2174307401 HRHBMBIAARAJHM-MISXGVKJSA-N 275.352 0.768 10 10 CCCE C[C@@H]1CN(C(=O)C2=C[C@H](O)[C@@H](N)C2)c2cccnc2O1 2188031556 OOULVXPVPMDKPV-QRTLGDNMSA-N 275.308 0.214 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@H](C2CC2)[C@@H](O)C1 2188867507 BUIGAEGRZBHJKE-SKDRFNHKSA-N 279.292 0.646 10 10 CCCE C[C@@H](N)c1ccc(N2C[C@@H](O)C[C@@H](O)C2)cc1O 2043131316 IFRIELBZTNNOSE-IEBDPFPHSA-N 252.314 0.344 10 10 CCCE CC1(C)C[C@H](NC(=O)c2cc(O)nc(O)c2)[C@@H]1O 2043158192 YKXTXABAWVEBEP-XVKPBYJWSA-N 252.270 0.382 10 10 CCCE CC1(C)C[C@H](NC(=O)c2ccc(O)c(O)c2)[C@@H]1O 2043134281 ZUTBSARURJFHKT-KWQFWETISA-N 251.282 0.987 10 10 CCCE CCOC1(CO)CN(c2ccc(OC)cc2N)C1 2052807634 VRUPJXJTMZSDNV-UHFFFAOYSA-N 252.314 0.865 10 10 CCCE Cc1cccc(CN[C@@H]2[C@H]3CS(=O)(=O)C[C@H]32)c1O 2054274577 CIAKJEUNTSAZHH-GDNZZTSVSA-N 267.350 0.833 10 10 CCCE COc1ccc(CN2C[C@H](O)C[C@@H]2CN)c(O)c1 2060805595 GMDXCKVXNGBYCT-GHMZBOCLSA-N 252.314 0.295 10 10 CCCE [N-]=[N+]=N[C@H]1CCCN(CCOCCOCCO)C1 2064410094 LXDBWEHNPVAWKF-NSHDSACASA-N 258.322 0.787 10 10 CCCE NC(=O)c1cccc(N)c1N[C@@H]1CCOC[C@@H]1F 2066667702 HBTFANUPVTVXPE-WCBMZHEXSA-N 253.277 0.907 10 10 CCCE CCO[C@@H]1C[C@@H](N)[C@H]1NC(=O)COc1ccc(N)cc1 2191747770 MVVDDFIQHONNOA-YRGRVCCFSA-N 279.340 0.269 10 10 CCCE NC[C@H]1CN(C(=O)CCOc2ccc(N)cc2)CCO1 2191714383 NMTQRERRHDRHNC-ZDUSSCGKSA-N 279.340 0.224 10 10 CCCE CCCN(CCN)S(=O)(=O)Cc1ccc(N)cc1 2071734917 BXEOVJALUKSSGA-UHFFFAOYSA-N 271.386 0.769 10 10 CCCE C[C@@H](O)c1cc(F)c(N2CC(C(N)=O)C2)c(F)c1 2074077711 QGOFDZROQBYLRF-ZCFIWIBFSA-N 256.252 0.940 10 10 CCCE CC[C@@H](NCCCNS(N)(=O)=O)c1ccccc1O 2101322285 QDQCJOLTEBFRDS-LLVKDONJSA-N 287.385 0.616 10 10 CCCE COCCOCC[C@@H](NCCCN=[N+]=[N-])C(=O)OC 2108935780 MYEWLBZGSOBIQI-SNVBAGLBSA-N 274.321 0.871 10 10 CCCE COc1ccc(CN[C@H](C)C2CS(=O)(=O)C2)c(O)c1 2089881922 UJTNORHTPHQYJD-SECBINFHSA-N 285.365 0.924 10 10 CCCE COc1ccc(O)c(CN2C[C@H](OC)C[C@@H]2CN)c1 2090739853 UIBQHSXPCCCLHC-DGCLKSJQSA-N 266.341 0.949 10 10 CCCE CC1(C)CN(c2ccc3c(c2)NC(=O)[C@H]3N)[C@H]1CO 2092546777 FHKSRQRZRFJTRX-RYUDHWBXSA-N 261.325 0.846 10 10 CCCE CN(CCc1ccc(N)cc1)CCS(=O)(=O)N(C)C 2094681775 MHJIYSGWLUWKMV-UHFFFAOYSA-N 285.413 0.635 10 10 CCCE O=C(N[C@H]1CO[C@]2(CCNC2)C1)c1cccc(O)c1O 2201746535 QSEFMYGWKGUCSU-YMTOWFKASA-N 278.308 0.349 10 10 CCCE CNCc1ccc(N2CC(=O)N[C@@H]3CC[C@H]32)cc1OC 2204553976 OHUBPBPBBAOXQE-CHWSQXEVSA-N 275.352 0.882 10 10 CCCE Cn1ncc(S(=O)(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])n1 2218747592 XTZLMUWGRCXOQA-BQBZGAKWSA-N 271.306 0.325 10 10 CCCE COc1ccc(N2C[C@H](O)C[C@@H](O)C2)c(OC)c1 2219640999 MZCICILUSFQFFK-NXEZZACHSA-N 253.298 0.636 10 10 CCCE Nc1ccc(OCC(=O)N2CC[C@@H]3[C@H](O)C[C@H]3C2)cc1 2232888012 KNSKMVKVZYYLPZ-LEWSCRJBSA-N 276.336 0.877 10 10 CCCE COc1cc(C(=O)N[C@H]2CNC[C@H](F)C2)cc(OC)n1 2234651651 QCWOAOVFNAIXJB-NXEZZACHSA-N 283.303 0.529 10 10 CCCE COc1ccc(N2C[C@@]3(CO)C[C@]3(CO)C2)c(OC)c1 2235128990 JDOQROMOOQDQIV-HUUCEWRRSA-N 279.336 0.885 10 10 CCCE COc1ccc(N(C)C2CS(=O)(=O)C2)c(C[C@@H](C)N)c1 2235980141 DYYIFRDFHBGAJZ-SNVBAGLBSA-N 298.408 0.818 10 10 CCCE COc1ccc(N2CCOC[C@@H]2CN(C)C)c(CN)c1 2235966196 PBSZKHPQGHVTCB-ZDUSSCGKSA-N 279.384 0.921 10 10 CCCE COc1ccc(N2C[C@H]3C[C@H](O)[C@H](O)[C@H]2C3)c(CO)c1 2236002154 LPKDGPABYYWDPY-ZAOWEBSESA-N 279.336 0.508 10 10 CCCE COc1ccc(N(C)Cc2ncnn2C)c(CO)c1 2227709010 OQVGLRMFVBMDLK-UHFFFAOYSA-N 262.313 0.952 10 10 CCCE Cc1cc([C@@H](C)O)ccc1N1CC[C@](O)(CO)[C@@H](O)C1 2240841718 KRQLPQHKVNQQEW-UGFHNGPFSA-N 281.352 0.343 10 10 CCCE CSc1ncc(CNC(=O)[C@@H](C)N2CC(N)C2)s1 2256947533 JGESJMCZNDUZEJ-SSDOTTSWSA-N 286.426 0.513 10 10 CCCE [N-]=[N+]=NCCN[C@@]1(C(N)=O)C[C@H]2[C@H]3CC[C@@H](O3)[C@H]21 2310684644 OWSDAKFIZAGYQW-VPWVSVFPSA-N 251.290 0.308 10 10 CCCE Nc1ccc(OCC(=O)NC[C@H]2NC[C@@H]3C[C@H]23)cc1 2332565526 RJYAODLZBMGOFA-TVYUQYBPSA-N 261.325 0.372 10 10 CCCE C[C@H](N)[C@](C)(NCc1ccc2c(c1)CCO2)C(=O)O 2351450318 NNRNXLLITYKJPZ-XPTSAGLGSA-N 264.325 0.902 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N3C[C@@H]4C[C@H](O)[C@H]3C4)ccc21 2355620485 PAYJOZRGFPXWKE-ZLCVWYCYSA-N 273.336 0.859 10 10 CCCE Cc1ccc(N/C=C2/C(=O)NC(=O)N(C)C2=O)cc1 103563980 WRDNERJLKNVCRJ-YFHOEESVSA-N 259.265 0.999 10 10 CCCE COc1ccc(O)c([C@H](C)NC(C)(CO)CO)c1 125732754 KEGCPCNUMMXNOF-VIFPVBQESA-N 255.314 0.795 10 10 CCCE COc1ccc(N(CCCN)[C@H](C)C(=O)NC(N)=O)cc1 37298631 NQJFQABHNLYDJQ-SNVBAGLBSA-N 294.355 0.434 10 10 CCCE CCNC(=O)[C@H]1CNCCN1Cc1ccc(N(C)C)cc1 89088712 UYLWXQLBMCCMMJ-OAHLLOKOSA-N 290.411 0.663 10 10 CCCE CCNCc1ccc(N2C[C@H](O)[C@H](O)C2)cc1C 233548646 MYOMIJDJERFVKJ-OKILXGFUSA-N 250.342 0.646 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3CC(C[S@@](C)=O)C3)cc21 2166654642 VSBHKCNXXQBEMH-ZUOKHONESA-N 293.392 0.478 10 10 CCCE C[C@@](O)(C(=O)O)[C@@H](N)c1ccc(Br)cc1O 713742220 JERTZKNWWSQDRS-WPRPVWTQSA-N 290.113 0.990 10 10 CCCE CN[C@H](C)c1ccc(N2CC[C@H](O)[C@@H](O)C2)cc1O 2132139428 ZZKREAVRLKAFPY-LQJRIPTKSA-N 266.341 0.605 10 10 CCCE CN(Cc1cn[nH]c1)C(=O)c1cc(O)c(O)c(O)c1 2132347958 AQPBSSSBHFQQIY-UHFFFAOYSA-N 263.253 0.799 10 10 CCCE CN(C)c1ccc(CNC(=O)N[C@H]2C[C@@H](C(N)=O)C2)cc1 844778470 NZXFHAFYYWWMKF-TXEJJXNPSA-N 290.367 0.816 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CC(=O)N(CC2CC2)C1 1155957366 CESZVKYDCNJVQC-UHFFFAOYSA-N 290.319 0.679 10 10 CCCE CO[C@H]1CS(=O)(=O)C[C@H]1Nc1c(N)cccc1F 711271577 CMABQJKJGPPSIY-ZJUUUORDSA-N 274.317 0.632 10 10 CCCE O=C(N[C@@]12CCC[C@@H]1CNC2)c1ccc(O)c(O)c1 711289855 BDBVYYOTOMLNQY-QMTHXVAHSA-N 262.309 0.970 10 10 CCCE Nc1ccc(CC(=O)NCCC(=O)NC2CC2)cc1 92986061 WOOSKYPAIBTHCQ-UHFFFAOYSA-N 261.325 0.596 10 10 CCCE CO[C@H]1C[C@@H](CO)N(C(=O)Cc2ccc(O)c(O)c2)C1 1963792653 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COC(=O)[C@H](N)CC(=O)N(C)[C@@H](C)c1ccccc1O 1913577721 PWIWQIXCEPBVIW-GXSJLCMTSA-N 280.324 0.802 10 10 CCCE O=C1Nc2cc(N(CCO)C3COC3)c(F)cc2[C@@H]1O 1915663692 JHGUSVMWQQSDPY-LBPRGKRZSA-N 282.271 0.009 10 10 CCCE C[C@@H]1CN(CC(=O)Nc2ccc(N)cc2)CCN1C 110699691 WQHROPXSXWOALG-LLVKDONJSA-N 262.357 0.843 10 10 CCCE C[C@H](CCO)N(C)C[C@@H](O)COc1ccc(N)cc1 1917039595 KIDFDYVGEGUOPM-DGCLKSJQSA-N 268.357 0.711 10 10 CCCE O=C(NC[C@]1(C(=O)O)CCCO1)c1ccc(O)c(O)c1 1923256855 VRPGCJCHHACDMX-ZDUSSCGKSA-N 281.264 0.461 10 10 CCCE O=C(CN1C[C@H]2[C@H](O)CC[C@H]2C1)c1ccc(O)c(O)c1 228061189 OFKDMQPHQONLPU-QJPTWQEYSA-N 277.320 0.983 10 10 CCCE CS(=O)(=O)CCNC(=O)[C@H]1CNc2ccccc2N1 229877935 PBEIZKMPYBKRJV-LLVKDONJSA-N 283.353 0.053 10 10 CCCE N[C@H]1C(=O)Nc2cc(N(CCO)CC(F)(F)F)ccc21 231323374 KFMGLHUMBYIIBT-SNVBAGLBSA-N 289.257 1.000 10 10 CCCE C[C@H](N)c1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3C(N)=O)cc1O 2136601505 BFJRKSRIYBXKFG-UVRHIYEWSA-N 261.325 0.579 10 10 CCCE O=C(N[C@H]1CC[C@@H]1C(=O)O)c1cc(O)c(O)c(O)c1 2140919910 FUPIPQRHKNSCQE-BQBZGAKWSA-N 267.237 0.396 10 10 CCCE C[C@]1(C(N)=O)CCN(C(=O)Nc2ccc(N)cc2)C1 235729503 YUPCUOFOKOSBOW-ZDUSSCGKSA-N 262.313 0.998 10 10 CCCE COC(=O)c1c[nH]nc1[C@H](N)Cc1ccc(O)c(O)c1 1951700913 VFBVUTRBJYQGCO-SECBINFHSA-N 277.280 0.850 10 10 CCCE COc1ccc(O)c(CNCC2(C(N)=O)CC2)c1 1972478975 STGLLOIGLABYHI-UHFFFAOYSA-N 250.298 0.756 10 10 CCCE C[C@@H]1OCCO[C@@H]1CN(C)C(=O)c1cccc(O)c1O 2143692572 UJMPORVUZSYISZ-JOYOIKCWSA-N 281.308 0.974 10 10 CCCE COC(=O)CC[C@@H](N)[C@@H](O)c1ccc(O)c(O)c1 259823954 WOIUMYKXFTYQLN-PELKAZGASA-N 255.270 0.412 10 10 CCCE CON(C)C1CN(c2cc3c(cc2N)NC(=O)CC3)C1 2144628223 LTZKWBDOGUUFRK-UHFFFAOYSA-N 276.340 0.835 10 10 CCCE CN1CCc2cc(CN3C[C@H](N)[C@@H]4COC[C@H]43)ccc21 2158356272 DOAJLTCSXRCKOH-OFQRWUPVSA-N 273.380 0.837 10 10 CCCE Cc1cc(O)ccc1NS(=O)(=O)c1nc[nH]n1 2009227353 GWOIEBCCMMTUSP-UHFFFAOYSA-N 254.271 0.620 10 10 CCCE C[C@@H](CCN)NS(=O)(=O)Cc1ccc(N)cc1 2016966292 MKJDEAHNWQSCTK-VIFPVBQESA-N 257.359 0.426 10 10 CCCE OCCC[C@H](CO)NCc1ccc2c(c1)CCO2 2029928851 WJMYMSLAMCHJJP-CYBMUJFWSA-N 251.326 0.845 10 10 CCCE C[C@H]1CCN[C@H]1CNC(=O)c1ccc(O)c(O)c1 2033146561 GRYZIQKLUPCBOQ-WPRPVWTQSA-N 250.298 0.826 10 10 CCCE CC(C)n1nnnc1CNC(=O)Cc1ccc(N)cc1 2169385920 SUSORPJGYCFDJE-UHFFFAOYSA-N 274.328 0.695 10 10 CCCE CN(C)C1(C)CN(c2cc3c(cc2F)[C@@H](O)C(=O)N3)C1 2160654192 OBPXEUFQWUOOLT-GFCCVEGCSA-N 279.315 0.952 10 10 CCCE CN(C)c1ccc(CNC(=O)C[C@]2(O)CCNC2)cc1 2160904479 JVHSAXWBBFHJKX-OAHLLOKOSA-N 277.368 0.483 10 10 CCCE CCN[C@H](C)c1ccc(N2C[C@@H](O)C[C@H](O)C2)cc1O 2161354220 HKNRXNAOQSAOOD-WXHSDQCUSA-N 280.368 0.995 10 10 CCCE NC(=O)[C@H]1CCN(Cc2ccc(F)c(F)c2O)C1 703556014 NIABJYQLSWVMGK-QMMMGPOBSA-N 256.252 0.978 10 10 CCCE COCCNC(=O)[C@H](C)NCc1cc(F)cc(F)c1O 708393755 IRAHBNVEEGVFBD-QMMMGPOBSA-N 288.294 0.911 10 10 CCCE CN(C[C@@H](O)C1CC1)C(=O)c1ccc(O)c(O)c1 690336111 SMXUSOLBEWDCOC-GFCCVEGCSA-N 251.282 0.941 10 10 CCCE COC(=O)[C@@]1(NCCCN=[N+]=[N-])CCOC[C@@H]1OC 382047203 VVSZBBZBENDPJJ-GXSJLCMTSA-N 272.305 0.624 10 10 CCCE COCCNCc1ccc(N2CC(CC(N)=O)C2)cc1 382509107 QIIVERNXLZYSFP-UHFFFAOYSA-N 277.368 0.734 10 10 CCCE CN([C@H]1CCCNC1=O)S(=O)(=O)Cc1ccc(N)cc1 2171083147 MDPAEBIBJMJGRR-LBPRGKRZSA-N 297.380 0.309 10 10 CCCE O=C(CNCc1ccc(O)c(O)c1)NCC1CC1 393078790 KXRQFNCTQCPOLB-UHFFFAOYSA-N 250.298 0.714 10 10 CCCE CC[C@]1(CO)COCCN1C(=O)c1cc(O)nc(O)c1 2169030223 VQQKYGSKHFSXDF-ZDUSSCGKSA-N 282.296 0.106 10 10 CCCE Nc1ccc(NC(=O)N2CC[C@@H]3OCCN[C@H]3C2)cc1 2191529147 LNBTUBCHXSDYLV-STQMWFEESA-N 276.340 0.863 10 10 CCCE CN1CCN(c2ccc3c(c2)NC(=O)[C@H]3O)CC12CC2 2188413370 KWLMDDAYIUFERM-ZDUSSCGKSA-N 273.336 0.957 10 10 CCCE O=[N+]([O-])c1cc(N2CC[C@@H](O)[C@H](CO)C2)ccc1CO 2188575175 FWFCLDXTDAQAQT-GXFFZTMASA-N 282.296 0.267 10 10 CCCE C[C@@H](NC(=O)[C@H]1[C@@H]2CS(=O)(=O)C[C@@H]21)c1ccccc1O 2192618750 ZHCUQZAVYKCSNV-GOONRYMUSA-N 295.360 0.860 10 10 CCCE C[C@@H](O)c1ccc(N2CC[C@@H](O)[C@@H](O)C2)c([N+](=O)[O-])c1 2188678561 HPOFSEKHDBACIQ-WQHBLYJGSA-N 282.296 0.580 10 10 CCCE O=C(N[C@H](CC1CC1)C(=O)O)c1cc(O)c(O)c(O)c1 2188867873 IOEKUECZSPXFPF-MRVPVSSYSA-N 281.264 0.787 10 10 CCCE Cc1nccc(CNC(=O)c2cc(O)c(O)c(O)c2)n1 2188868175 NEQLLGPETKFUKB-UHFFFAOYSA-N 275.264 0.832 10 10 CCCE COC1(C(N)=O)CN(c2ccc([C@H](C)O)cc2)C1 2042974540 LYLAAKLDLUJDIL-VIFPVBQESA-N 250.298 0.430 10 10 CCCE COC(=O)CN(C)S(=O)(=O)Nc1ccc(O)cc1 2043252702 WIGIMKNXYVAIJA-UHFFFAOYSA-N 274.298 0.154 10 10 CCCE COc1ccc(N2CCN(C)C[C@H]2CN)c(F)c1 2044280675 GGYIWRVHXGTMIH-SNVBAGLBSA-N 253.321 0.913 10 10 CCCE OC[C@@H](O)[C@@H]1COCCN1c1ccc2c(c1)CC[C@@H]2O 2184738963 AETPYXUTAXJFRK-SOUVJXGZSA-N 279.336 0.225 10 10 CCCE Nc1ccc(OCCC(=O)NC2([C@@H](O)CO)CC2)cc1 2190120551 AVHLVPDVZIBJJX-LBPRGKRZSA-N 280.324 0.040 10 10 CCCE O=C(N[C@@H](CCF)C(=O)O)c1ccc(O)c(O)c1 2057440347 IYOHGCYARCKNHN-ZETCQYMHSA-N 257.217 0.640 10 10 CCCE CS(=O)(=O)C1CN(c2ccc3c(c2)CC[C@@H]3O)C1 2065080645 MBQJBDIQUCJFPW-ZDUSSCGKSA-N 267.350 0.899 10 10 CCCE Nc1ccc(OCCS(=O)(=O)N2C[C@@H]3COC[C@H]32)cc1 2186374140 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C[C@H](c1c(O)cccc1O)N1CCO[C@H]2CNC[C@@H]21 686537281 OSZFMMWOJKPWAG-NRUUGDAUSA-N 264.325 0.831 10 10 CCCE C[C@@]1(O)CCN(c2ccc3c(c2)CC[C@@H]3O)C[C@@H]1O 1893332353 QOQGEFFCNAKONE-SOUVJXGZSA-N 263.337 0.988 10 10 CCCE CCCn1cc([C@H](NCCN=[N+]=[N-])C(=O)OC)nn1 714448575 IUMDTNBWJBXBCE-VIFPVBQESA-N 267.293 0.802 10 10 CCCE Nc1ccc(CS(=O)(=O)NC[C@]23COC[C@H]2C3)cc1 689275722 JVKBMGOLTDULRU-DGCLKSJQSA-N 282.365 0.725 10 10 CCCE C[C@@H](c1cc(O)ccc1O)N1CCOC[C@]1(CN)CO 693978579 RKNLMLMRQPUGTN-HZMBPMFUSA-N 282.340 0.181 10 10 CCCE C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NCCO 1265873687 ZGBFYDGKYXTOJB-SECBINFHSA-N 293.327 0.549 10 10 CCCE CO[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CCO1 1296583113 XAWAKBLUIRSCOJ-CYBMUJFWSA-N 267.281 0.472 10 10 CCCE C[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ncon1 1295164034 BCVNBKFAFWLPGI-ZETCQYMHSA-N 263.253 0.901 10 10 CCCE CCOC1(CO)CN(C(=O)c2ccc(O)c(O)c2)C1 2116380333 KZCAELUVYKCTOE-UHFFFAOYSA-N 267.281 0.321 10 10 CCCE O=S1(=O)C[C@@H]2[C@H](NCc3cc(F)cc(F)c3O)[C@@H]2C1 2118010307 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CNC1(C(N)=O)CN(Cc2c(O)cccc2Cl)C1 2047100804 OICRZHHMEWLFKL-UHFFFAOYSA-N 269.732 0.305 10 10 CCCE [N-]=[N+]=NCCCN1CCC[C@@H](C(=O)NCCN)C1 2054256859 BSVCFKIGAAVLQT-SNVBAGLBSA-N 254.338 0.474 10 10 CCCE [N-]=[N+]=NCCCN1CCCN(C[C@@H](O)CO)CC1 2057912126 IQKVJIZAOBDWHO-LLVKDONJSA-N 257.338 0.048 10 10 CCCE Nc1ccc(CCN2CC[C@H]3C(=O)NC[C@H]3C2)cc1 2100940249 GVBZWRJMYOBMLN-GXTWGEPZSA-N 259.353 0.879 10 10 CCCE NCc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3C(N)=O)cc1Cl 2081449753 UPARESOXIVMTBQ-IAZYJMLFSA-N 265.744 0.966 10 10 CCCE NCc1ccc(N2C[C@H]3C(C(N)=O)[C@@H]3C2)c(Cl)c1 2081447392 DYISURZPGVVVMY-RKDXNWHRSA-N 265.744 0.966 10 10 CCCE CO[C@@H]1CN(C)C[C@@H]1NCc1ccc(F)cc1O 2084172887 OHHQUPYRWNKUJU-WCQYABFASA-N 254.305 0.950 10 10 CCCE CN[C@@H]1COC[C@H]1[C@@H](O)c1ccc2c(c1)CCN2C 2106805386 NCAUEGOSVDCDAX-NFAWXSAZSA-N 262.353 0.947 10 10 CCCE C[C@@H]1CC[C@H](CO)N(C(=O)c2cc(O)nc(O)c2)C1 2110595669 QSRMSSZOLZCOFA-PSASIEDQSA-N 266.297 0.726 10 10 CCCE COc1ccc(N(C)CCN(C)S(C)(=O)=O)c(N)c1 2090796884 KYDPMVHEAMEVIJ-UHFFFAOYSA-N 287.385 0.605 10 10 CCCE N[C@@H]1CCC[C@H]1C(=O)NCCc1ccc(O)c(O)c1 2091749399 XTFHKZWPFVDTIX-GHMZBOCLSA-N 264.325 0.884 10 10 CCCE CN[C@H]1C[C@@H](C)CN(C(=O)c2cc(O)nc(O)c2)C1 2092748760 MBFLLXYGKPFHAV-SCZZXKLOSA-N 265.313 0.563 10 10 CCCE C[C@]1(CO)CCN1C[C@H](O)COc1ccc(N)cc1 2097237167 JBHINRKMJXNMRE-GXTWGEPZSA-N 266.341 0.465 10 10 CCCE COCC1([C@@H](O)c2ccc3c(c2)CCN3C)CNC1 2112833730 FBSFIRZZSDLVGQ-AWEZNQCLSA-N 262.353 0.948 10 10 CCCE N[C@H]1C(F)(F)C12CC(NC(=O)c1cccc(O)c1O)C2 2207140289 GYCYXDWNJWAYNJ-LXJQOYHNSA-N 284.262 0.953 10 10 CCCE CC(C)(C)OC(=O)N1CCC[C@@H]1COc1nnc(=N)[nH]n1 2209555481 FLWMLUACLMLOTL-MRVPVSSYSA-N 296.331 0.457 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H](O)C[C@@H](F)C1 2226295851 ZOQBUSYSQQUWJQ-SFYZADRCSA-N 271.244 0.348 10 10 CCCE CN1CCCc2cc(N3C[C@@H](O)[C@@H](CO)C3)ccc21 2226657988 YNZLIHNUNBROMU-IUODEOHRSA-N 262.353 0.858 10 10 CCCE COc1ccc(N2CC(=O)NC(=O)[C@@H]2C)c(CN)c1 2227673795 RREPAZNTHCKUJH-QMMMGPOBSA-N 263.297 0.005 10 10 CCCE COc1ccc(N2CC(=O)NC[C@@H]2C)c(C(=O)O)c1 2227669898 IWCBGWNURZQXNW-QMMMGPOBSA-N 264.281 0.718 10 10 CCCE O=c1c2c(ccn1C[C@H]1[C@H]3COCC[C@@H]31)CCNC2 2228425326 SFVABTHIFKHJOA-BNOWGMLFSA-N 260.337 0.777 10 10 CCCE Cc1cc([C@@H](C)N)ccc1N1CC2(C1)OC[C@@H](O)[C@@H]2O 2240743992 MJIKWCYGUFGBFZ-HONMWMINSA-N 278.352 0.326 10 10 CCCE CC[C@H]1[C@H](O)CCN1C(=O)c1cc(O)nc(O)c1 2260374499 WJGHIBHGQZBMQX-DTWKUNHWSA-N 252.270 0.478 10 10 CCCE Cn1ncnc1[C@H](O)c1ccc(N2CCNCC2)cc1 2286071185 JXTJJQAPRFARLJ-CYBMUJFWSA-N 273.340 0.306 10 10 CCCE O=C(c1cccc(O)c1O)N1C[C@@H]2OCC[C@]2(CO)C1 2296362556 YNTNOKXSPLPKRN-SMDDNHRTSA-N 279.292 0.321 10 10 CCCE COc1cc(OC)c(N2C[C@@H](N)C[C@H](O)C2)c(OC)c1 2287145363 OOICQTNTPNWZSU-UWVGGRQHSA-N 282.340 0.611 10 10 CCCE NC(=O)[C@H]1CC[C@H](NC(=O)c2ccc(O)c(O)c2)CC1 2287993604 JEQSUUYNVOYCRR-CZMCAQCFSA-N 278.308 0.872 10 10 CCCE Nc1ccc(CCN2C[C@@H](O)[C@@H](O)[C@H]2CF)cc1 2311998518 FUPIDYDKOLKUBJ-UPJWGTAASA-N 254.305 0.187 10 10 CCCE CCN(CCN=[N+]=[N-])S(=O)(=O)C[C@H](C)C(=O)OC 2315992390 LHVUZQMBUMMBPR-QMMMGPOBSA-N 278.334 0.758 10 10 CCCE N[C@H]1C[C@@H]2CN(C(=O)c3ccc(O)c(O)c3)CC[C@H]12 2333486650 FDERKUJEXUXFHV-VWYCJHECSA-N 262.309 0.907 10 10 CCCE O=C1NCC[C@@H]1CN1CCc2cc(O)c(O)cc2C1 2341210567 KXIIYRNUVKIUDX-SNVBAGLBSA-N 262.309 0.592 10 10 CCCE C[C@@H](c1cc(O)ccc1O)N(CCO)CCC(=O)O 2342685898 HNYWNYKLHRMYPI-VIFPVBQESA-N 269.297 0.928 10 10 CCCE Nc1ccc(OCCCN2C[C@@H](O)[C@@H]3COC[C@@H]32)cc1 2354370165 VRKZGYGVQKIENC-QLFBSQMISA-N 278.352 0.729 10 10 CCCE COCCNC(=O)CN[C@H](C)c1ccccc1O 135719242 NWHONKKNYHDUJO-SNVBAGLBSA-N 252.314 0.805 10 10 CCCE C[C@H](c1cc(O)ccc1O)N1CCO[C@@H](C(=O)O)C1 226450684 SESSNWNQDSADFA-PRHODGIISA-N 267.281 0.944 10 10 CCCE CCO/C=C1/C(=N)NC(N2CCCCC2)=NC1=O 96912490 HOBJGGHHTQHSMG-HJWRWDBZSA-N 250.302 0.856 10 10 CCCE Cc1n[nH]c(C)c1[C@@H](NCCCN=[N+]=[N-])C(N)=O 90260576 QOJCRRDHDILBBD-SECBINFHSA-N 251.294 0.843 10 10 CCCE CC(=O)C(=O)COC(=O)Cc1ccccc1CO 808545416 ZQBFRRPNXYHWAL-UHFFFAOYSA-N 250.250 0.423 10 10 CCCE CN1C[C@H](CNS(=O)(=O)Cc2ccc(N)cc2)CC1=O 723536923 OQSBCSGNHSJOLX-NSHDSACASA-N 297.380 0.167 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@@H]3C[C@H](C[C@H]3O)C2)cc1 2163567469 YZAVWVBLTLXXND-MBNYWOFBSA-N 296.392 0.801 10 10 CCCE O=C(NCc1ccccc1O)NC1COCCOC1 813615537 RVFDCDGTTAAQNG-UHFFFAOYSA-N 266.297 0.607 10 10 CCCE O=[N+]([O-])c1cc(N2C[C@@H]3C[C@]3(CO)C2)ccc1CO 2132057180 AMZIUIPDEFSLJE-GXFFZTMASA-N 264.281 0.906 10 10 CCCE O=C(O)COCC(=O)NCc1c(O)cccc1F 902854260 ZXJYZSJHHQZOOJ-UHFFFAOYSA-N 257.217 0.249 10 10 CCCE CN1CCOC[C@@]1(CO)CN[C@@H]1CCc2cccc(O)c21 903276800 CCRVYKACEXWHPP-CJNGLKHVSA-N 292.379 0.662 10 10 CCCE C[C@H]1C(=O)N(C)CN1C(=O)/C=C/c1ccc(O)c(O)c1 844103280 NFLDDVTYYVISQF-DNQSNQRASA-N 276.292 0.758 10 10 CCCE CC(=O)C(=O)COC(=O)c1ccn(C(C)(C)C)n1 848808963 LBNNUJDEVZOTCI-UHFFFAOYSA-N 252.270 0.953 10 10 CCCE Nc1ccc(CCC(=O)N[C@@H]2C[C@H]3CNC[C@@H]32)cc1 1876441390 CFHJHTKTUWIYET-FPMFFAJLSA-N 259.353 0.926 10 10 CCCE CC(=O)c1cn(C2CN(C(=O)c3cc(O)cs3)C2)nn1 889544839 CIDQPTZWGAASOM-UHFFFAOYSA-N 292.320 0.945 10 10 CCCE COCC[C@@H](CO)NC(=O)c1ccc(N=NC(N)=O)cc1 1139041963 CNJMSTHNAVXPKH-NSHDSACASA-N 294.311 0.976 10 10 CCCE Fc1cc(N2CCNCC2)ccc1CNc1nnn[nH]1 84847986 KDNWBAADENUBIX-UHFFFAOYSA-N 277.307 0.361 10 10 CCCE Oc1ccc(CNCCN2CCNCC2)cc1O 83385148 SFCCYWCZFBEXQC-UHFFFAOYSA-N 251.330 0.093 10 10 CCCE CCO[C@H]1COCC[C@]1(NCCN=[N+]=[N-])C(=O)OC 686601038 JKOCFYPEJSCZHE-GXSJLCMTSA-N 272.305 0.624 10 10 CCCE CN(C(=O)CN1C[C@H]2COC[C@H]2C1)c1ccc(N)cc1 718191139 BCHUOFDBBZWCIQ-TXEJJXNPSA-N 275.352 0.810 10 10 CCCE CN1CCC[C@@](O)(CC(=O)NCc2cccc(O)c2O)C1 1263895846 HZBPRDUKALLIDE-OAHLLOKOSA-N 294.351 0.561 10 10 CCCE N=c1ccc(NC(=O)c2cc(O)c(O)c(O)c2)c[nH]1 2132404817 UZXDVPPNUGTUGJ-UHFFFAOYSA-N 261.237 0.863 10 10 CCCE Nc1ccc(OCCC(=O)NC[C@H]2C[C@H]2CO)cc1 2117658892 XGJIHQJLFBKOKW-MNOVXSKESA-N 264.325 0.782 10 10 CCCE C[P@]1(=O)C[C@@H](N)[C@@H](NC(=O)c2ccc(O)c(O)c2)C1 2121478857 MSQRYNDPKDJGJU-MGOSUKFUSA-N 284.252 0.530 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NC1(CCO)CCOCC1 1628917467 YCBDSUDOXAAGCC-UHFFFAOYSA-N 295.335 0.688 10 10 CCCE CC(C)[C@@H]1C[C@@H](O)CN1C(=O)c1cc(O)nc(O)c1 2123487607 CDDLJSITOSFGRW-ZJUUUORDSA-N 266.297 0.724 10 10 CCCE C=CC(=O)NCCC(=O)NCc1cc(O)ccc1O 1637125698 CMTHXBHWPMCMCA-UHFFFAOYSA-N 264.281 0.406 10 10 CCCE Cc1ncc(C(=O)NCc2cc(O)ccc2O)c(N)n1 1643881854 ICTCTBOGJUITIF-UHFFFAOYSA-N 274.280 0.708 10 10 CCCE Nc1ccc(CC(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1 5580858 ATZHFNVTBPMMFR-JTQLQIEISA-N 280.280 0.246 10 10 CCCE C[C@@H](O)[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)C1 162445594 OXZKNRHRCXHEJQ-SFYZADRCSA-N 252.270 0.336 10 10 CCCE C[C@H](N)c1ccc(N2CC3(C2)OC[C@H](O)[C@@H]3O)cc1 2127257904 JWJZWGDOQQYNOP-XDTLVQLUSA-N 264.325 0.017 10 10 CCCE O[C@@H]1C[C@@H](O)CN(c2ccc3c(c2)CCC[C@H]3O)C1 2128274050 ZCHFAJMPFGYGJS-UMVBOHGHSA-N 263.337 0.988 10 10 CCCE O[C@@H]1C[C@@H](O)CN(c2ccc3c(c2)CCC[C@H]3O)C1 2128276136 ZCHFAJMPFGYGJS-UMVBOHGHSA-N 263.337 0.988 10 10 CCCE O=C(O)c1ccc(O)c(N=c2ccc(C(=O)O)n[nH]2)c1 1859857768 IRLJRQBNOQJZQM-UHFFFAOYSA-N 275.220 0.744 10 10 CCCE CCOc1ccc(N2C[C@H](C)NC(=O)[C@H]2CO)cc1 250640834 XRKHTIXPIVCTHR-GXFFZTMASA-N 264.325 0.771 10 10 CCCE NC(=O)NCC1CN(c2ccc3c(c2)CC[C@@H]3O)C1 2130744879 VYTONARBNMEAPV-ZDUSSCGKSA-N 261.325 0.771 10 10 CCCE CN1C[C@H]2C[C@H]1CN2C(=O)COc1ccc(N)cc1 2131018186 RGGQPGSEOYSOAY-NWDGAFQWSA-N 261.325 0.563 10 10 CCCE [N-]=[N+]=NC1CN(C(=O)Cn2nnc(-c3ccsc3)n2)C1 1912191244 PACKKKKVJLKOBN-UHFFFAOYSA-N 290.312 0.923 10 10 CCCE [N-]=[N+]=NC1CN(CCOc2ccc(S(N)(=O)=O)cc2)C1 1912184778 HRIJISWGGGIFTQ-UHFFFAOYSA-N 297.340 0.707 10 10 CCCE CN(CCCN=[N+]=[N-])C(=O)[C@@H]1CCCS(=O)(=O)C1 1912192095 ASWSPXFFHRXISJ-SECBINFHSA-N 274.346 0.970 10 10 CCCE CC(=O)N1CCN(C(=O)CN2CC[C@H](N=[N+]=[N-])C2)CC1 1912207109 JORNWCCLIAZFQI-NSHDSACASA-N 280.332 0.062 10 10 CCCE CC(C)NC(=O)CNC(=O)c1ccc(O)c(O)c1 226952973 PSHOWXRXDJOVBQ-UHFFFAOYSA-N 252.270 0.352 10 10 CCCE C[C@@H](NC[C@@]1(O)CCOC1)c1c(O)cccc1O 227120234 HTRQPFUQUPUHHE-RNCFNFMXSA-N 253.298 0.900 10 10 CCCE CN(C)c1ccc(CNC(=O)[C@@H]2[C@H]3NCCO[C@@H]32)cc1 1966787816 YYJNKQZERWOQKS-MGPQQGTHSA-N 275.352 0.356 10 10 CCCE CNC(=O)[C@H]1CCCN(Cc2cc(N)ccc2O)C1 232278890 KKMCUECSXHLFBG-JTQLQIEISA-N 263.341 0.932 10 10 CCCE Nc1ccc(CNC(=O)C2[C@@H]3CS(=O)(=O)C[C@@H]23)cc1 1968570352 OCDIODRZOYRWGM-GHMZBOCLSA-N 280.349 0.176 10 10 CCCE CNCc1ccc(N2CCC[C@H]2C(N)=O)cc1OC 2139697897 BBOSVJPXQRFWSB-LBPRGKRZSA-N 263.341 0.869 10 10 CCCE CO[C@@H]1CCN(C(=O)c2cccc(O)c2O)[C@@H](CN)C1 126726922 QUAIERLCYWHZQJ-NXEZZACHSA-N 280.324 0.676 10 10 CCCE C[C@H](CC[S@](C)=O)NC(=O)COc1ccc(N)cc1 127631646 KBUJYCYBNQUFDY-GIGQVBGESA-N 284.381 0.921 10 10 CCCE C[C@H]1CCN(C(=O)COc2ccc(N)cc2)[C@H]1C(N)=O 2146464332 PXVKFGQGMNUGBC-TVQRCGJNSA-N 277.324 0.370 10 10 CCCE COC(=O)[C@H](N)C(C)(C)c1ccc(O)c(O)c1O 1952595872 RQLLTLZGRMGHEG-JTQLQIEISA-N 255.270 0.581 10 10 CCCE CCN(Cc1ccc(N)cc1)c1n[nH]c(=O)[nH]c1=O 37671621 MRQNPYLYFHNJLU-UHFFFAOYSA-N 261.285 0.067 10 10 CCCE Cc1cc(N2CCC(OCC(N)=O)CC2)ccc1CN 2145379883 QZKJARKZZLOCGA-UHFFFAOYSA-N 277.368 0.924 10 10 CCCE O=S1(=O)CCOCCN1Cc1ccccc1O 2017265972 COIYERUYGAEKAU-UHFFFAOYSA-N 257.311 0.554 10 10 CCCE CC(C)CN(CCO)C[C@H](O)COc1ccc(N)cc1 2154247522 XEAIZEBLEFSDGI-AWEZNQCLSA-N 282.384 0.959 10 10 CCCE CNC[C@H](C)N(C)C(=O)Cc1ccc(O)c(O)c1 2027473597 ACMRCLROAFKHET-VIFPVBQESA-N 252.314 0.707 10 10 CCCE CNCc1cc(F)c(N2CC[C@@H]2C(N)=O)c(F)c1 2028919818 HVYSEXFJHKOOSU-SNVBAGLBSA-N 255.268 0.748 10 10 CCCE NC(=O)[C@@H]1CC[C@H](NCc2ccc(O)c(O)c2)C1 2029524666 FWPNNTSLGNWODS-ZJUUUORDSA-N 250.298 0.841 10 10 CCCE CCCN(c1ccc(CN)cc1)[C@H]1CS(=O)(=O)C[C@@H]1O 2155610467 LNNCWMJDJOBTDI-KBPBESRZSA-N 298.408 0.520 10 10 CCCE Oc1ccc(CNC[C@@H]2C[C@H](O)CCO2)cc1O 2036675224 LPQVHSYUDJIOJY-MNOVXSKESA-N 253.298 0.727 10 10 CCCE O=C(N[C@H]1CCC[C@@H](C(=O)O)C1)c1cc(O)nc(O)c1 70554211 RQPCPCFHBOXZAM-APPZFPTMSA-N 280.280 0.866 10 10 CCCE C[C@](O)(CNS(=O)(=O)Cc1ccc(N)cc1)C1CC1 311523076 JQJWFZNYLGMBMF-ZDUSSCGKSA-N 284.381 0.849 10 10 CCCE CCNC(=O)C(C)(C)NS(=O)(=O)Cc1ccc(N)cc1 312827467 TYFUFAGIKOAXEH-UHFFFAOYSA-N 299.396 0.603 10 10 CCCE COC[C@@](C)(CC(=O)O)NC(=O)c1cc(O)nc(O)c1 2157949279 JLQWCTHZZOFZFH-GFCCVEGCSA-N 284.268 0.102 10 10 CCCE CN1[C@H]2CC[C@H]1C(=O)N(Cc1ccc(N)cc1)C2=O 704602591 IDVSNMBDQSWGPV-RYUDHWBXSA-N 259.309 0.600 10 10 CCCE CN[C@H](C)c1ccc(N2CCN(C)[C@@H](CO)C2)cc1O 687620948 CZWXCYDHWBISEE-DGCLKSJQSA-N 279.384 0.785 10 10 CCCE COC(=O)[C@@]1(NCCN=[N+]=[N-])CCCS(=O)(=O)CC1 709913367 MSMYMHDQTFOYIG-SNVBAGLBSA-N 290.345 0.397 10 10 CCCE CC(C)NC(=O)C[S@@](=O)CCOc1ccc(N)cc1 388832955 VTBSWAGFFRFAGH-IBGZPJMESA-N 284.381 0.921 10 10 CCCE Nc1ccc(NC(=O)NCC(=O)NCC2CC2)cc1 393055825 QJZOVSUSOIGDBS-UHFFFAOYSA-N 262.313 0.917 10 10 CCCE O=C(NC[C@@H]1[C@@H]2CS(=O)(=O)C[C@@H]21)c1ccc(O)c(O)c1 2174622114 OWWDKZOUUDDDFX-ILWJIGKKSA-N 297.332 0.118 10 10 CCCE O=C(NC[C@@H]1[C@@H]2CS(=O)(=O)C[C@@H]21)c1cccc(O)c1O 2174621267 FFNIPQAPHDPXAD-ILWJIGKKSA-N 297.332 0.118 10 10 CCCE CC1(C)CO[C@@H](CN)CN1C(=O)c1ccc(O)c(O)c1 2167539991 MIJNAMQKAYVTFH-JTQLQIEISA-N 280.324 0.676 10 10 CCCE COc1cccc(O)c1CN[C@@]12CC[C@@H](C1)[C@@H](O)[C@@H]2O 2177039864 OIEAKCTVBGZJME-FLCCKXIQSA-N 279.336 0.765 10 10 CCCE CCNCc1ccc(N2C[C@@H]3C[C@H](C2)[C@@H](O)[C@H]3O)cc1 2182557222 TYCFRUVNRFYUBS-SDSIWUNFSA-N 276.380 0.974 10 10 CCCE NC1C[C@@H]2CN(C(=O)c3cc(O)c(O)c(O)c3)C[C@H]2C1 2188915638 JTVVWTYEIFPBNP-RKDXNWHRSA-N 278.308 0.613 10 10 CCCE NC[C@@]1(CNC(=O)c2cc(O)c(O)c(O)c2)CCCO1 2194011191 IVTDAEKQSXAPFI-CYBMUJFWSA-N 282.296 0.041 10 10 CCCE C[C@H]1CNCCN1C(=O)c1cc(O)c(O)c(O)c1 1866302692 AFJOOWNILRRIHL-ZETCQYMHSA-N 252.270 0.237 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC[C@@H]2[C@@H](O)C[C@@H]21 2057964641 BVZRHJWKJIHCSA-CIUDSAMLSA-N 250.254 0.088 10 10 CCCE C[C@H](c1ccccc1O)N(C)C(=O)[C@@H](CN)CO 2067738853 CBRAUPWZNKCBDX-ZJUUUORDSA-N 252.314 0.479 10 10 CCCE O=C(NCc1csnn1)c1cc(O)c(O)c(O)c1 2068578265 RFTPSECFUMMEHS-UHFFFAOYSA-N 267.266 0.585 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CCC12COC2 2068615009 KPANQHXUGJWTPB-UHFFFAOYSA-N 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COc1ccc(N2C[C@@H](C)[C@@H](CS(N)(=O)=O)C2)c(N)c1 2144388264 YSRMBUJLGBVUAY-NXEZZACHSA-N 299.396 0.638 10 10 CCCE OCC(CO)CNCc1ccc(Br)cc1O 1984645225 SGJOMGVQSCESCR-UHFFFAOYSA-N 290.157 0.845 10 10 CCCE NCc1cc(F)c(N2CC[C@@H](OCC(N)=O)C2)c(F)c1 2145373348 ZZVBXMXPSGRQCM-SECBINFHSA-N 285.294 0.504 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CCCC12CCNCC2 2145408157 JRUPPOJZDISLNV-UHFFFAOYSA-N 277.324 0.851 10 10 CCCE Nc1ccc(CNc2ccc(S(N)(=O)=O)cn2)cc1 37671054 HATFDCJGYFYAAO-UHFFFAOYSA-N 278.337 0.923 10 10 CCCE O=C(O)[C@@H]1CC2(CC2)CN1C(=O)c1cc(O)nc(O)c1 2152444411 DIZWQKAZGDHANJ-QMMMGPOBSA-N 278.264 0.572 10 10 CCCE Cc1cccc(CNS(=O)(=O)C2COC2)c1O 2024805299 PDDIASUSSCYPTC-UHFFFAOYSA-N 257.311 0.519 10 10 CCCE NCc1ccc(N2CC(OCC(N)=O)C2)c(Cl)c1 2028710425 OJBYSXCJMDCBEB-UHFFFAOYSA-N 269.732 0.489 10 10 CCCE Cc1cc(CN)ccc1N1C[C@@H](CO)C[C@@H]1CO 2029385674 RKRUDWGCKIYPNN-QWHCGFSZSA-N 250.342 0.633 10 10 CCCE CN(C)[C@H]1CN(c2ccc(CN)c(Cl)c2)C[C@H]1O 2029439265 VZNBZVOEXJKTEI-QWHCGFSZSA-N 269.776 0.910 10 10 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276.296 0.762 10 10 CCCE COC(=O)[C@H](O)CN1CCOc2cc(N(C)C)ccc21 2195427396 DKJJGFDYLYMKQW-GFCCVEGCSA-N 280.324 0.485 10 10 CCCE O=C(N[C@H](CO)C[C@@H]1CCOC1)c1cc(O)nc(O)c1 2195492743 MJHVWUVFPNYKOA-WPRPVWTQSA-N 282.296 0.010 10 10 CCCE CN1CC[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)C1 2068575563 CSRILQLVAGMPBA-MRVPVSSYSA-N 252.270 0.237 10 10 CCCE CC(CO)(CO)CN1CCc2cc(CN)ccc21 2069538985 ANBAAZUVBBKCMV-UHFFFAOYSA-N 250.342 0.499 10 10 CCCE C[C@@H](CCN)N(C)S(=O)(=O)Cc1ccc(N)cc1 2071568970 VDABUOKKOWZVBB-JTQLQIEISA-N 271.386 0.768 10 10 CCCE C[C@@]1(C(=O)O)COCCN1C(=O)c1cccc(O)c1O 2201201228 NBZDJNHMMUIMGW-ZDUSSCGKSA-N 281.264 0.414 10 10 CCCE C[C@]1(CNCc2ccc(O)c(O)c2)CCNC1=O 2080462923 YWMBQDMAEGHCPX-CYBMUJFWSA-N 250.298 0.714 10 10 CCCE N[C@H]1CC[C@@H](CNC(=O)Cc2ccc(O)c(O)c2)C1 2087728598 FEXDWBIMECIBPV-MNOVXSKESA-N 264.325 0.884 10 10 CCCE CN[C@H](c1ccccc1O)C1(O)CC(C(=O)OC)C1 2091867732 NSNLSEBMDCEFEW-VTGPFMDVSA-N 265.309 0.967 10 10 CCCE OCc1ccc(N2CC[C@H](C(CO)CO)C2)c(F)c1 2114244282 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10 10 CCCE Cn1cnc([C@@H](O)c2ccc(N3CCNCC3)cc2)c1 2286069204 XDUWPRRZIURZSS-HNNXBMFYSA-N 272.352 0.911 10 10 CCCE CC[C@@H](N)c1ccc(N2CC([C@@H](O)CO)C2)cc1 2315165696 GAOOLPZNZMGVRC-KGLIPLIRSA-N 250.342 0.886 10 10 CCCE CC(=O)N1CCN(N=Nc2ccc(C(N)=O)cc2)CC1 2330154851 YDQWQZVBTKSQQE-UHFFFAOYSA-N 275.312 0.948 10 10 CCCE NCc1cc(F)c(N2C[C@@H](O)[C@@H]3COC[C@@H]32)c(F)c1 2329192988 FLGZBKMXUHYNGP-JFUSQASVSA-N 270.279 0.619 10 10 CCCE OCc1ccc(N2[C@H]3CC[C@@H]2C[C@@H](O)[C@@H]3O)c(F)c1 2331965245 SXLMFHRRZNNZAJ-GJQVQUKXSA-N 267.300 0.781 10 10 CCCE COc1ccc(O)c(CNCCN2CC(OC)C2)c1 2339971662 QQKYLPBSWGAGQJ-UHFFFAOYSA-N 266.341 0.821 10 10 CCCE C[C@@H]1CN(C(=O)COc2ccc(N)cc2)CCO1 38055592 SUHWDTLQEURZKG-SNVBAGLBSA-N 250.298 0.895 10 10 CCCE CC(C)[C@@H](O)CNS(=O)(=O)Cc1ccc(N)cc1 124188305 ZCBPQORNBVLONO-LBPRGKRZSA-N 272.370 0.705 10 10 CCCE C[S@](=O)CCNS(=O)(=O)Cc1ccc(N)cc1 157785003 XJUXUGOPVPDDTP-MRXNPFEDSA-N 276.383 0.067 10 10 CCCE CNC(=O)NC(=O)[C@@H](C)OC(=O)CCc1ccc(N)cc1 41101776 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C[C@H]1C[C@H](NC(=O)c2cc(O)c(O)c(O)c2)CCN1 2132399913 IWCMPXVFNMIHGV-IONNQARKSA-N 266.297 0.674 10 10 CCCE C[C@H]1C[C@H](CO)CN1C(=O)c1cc(O)c(O)c(O)c1 2132350946 RSQIFQUXUBFMPO-YUMQZZPRSA-N 267.281 0.646 10 10 CCCE CC1(C)C[C@H](NC(=O)c2cc(O)c(O)c(O)c2)[C@H]1O 2132350768 QNDZQTGDIKTMGK-WRWORJQWSA-N 267.281 0.693 10 10 CCCE Nc1ccc(NC(=O)[C@H](O)C2CCOCC2)cc1 843292586 MXDPUELJRZUYJL-GFCCVEGCSA-N 250.298 0.995 10 10 CCCE C[C@H](NC[C@@H](O)CS(C)(=O)=O)c1c(O)cccc1F 927030683 XZSWEHAOWLIUBJ-DTWKUNHWSA-N 291.344 0.587 10 10 CCCE C[C@@H](N)c1ccc(N2CCN(C)C[C@@H]2CO)c(F)c1 699476081 CGCCSMGZOCPDMP-ZYHUDNBSSA-N 267.348 0.958 10 10 CCCE Cc1ccc(C(=O)NCCCc2ncnn2C)c(O)c1O 862087734 CYMWMYFGAMUWBV-UHFFFAOYSA-N 290.323 0.897 10 10 CCCE C[C@@H](CC1CNC1)NC(=O)COc1ccc(N)cc1 1876451576 PQHUIIHSBKPLCQ-JTQLQIEISA-N 263.341 0.762 10 10 CCCE NC[C@@H](NC(=O)CCOc1ccc(N)cc1)C1CC1 1876510994 JXEUZNCJICXAAK-CYBMUJFWSA-N 263.341 0.891 10 10 CCCE Cn1cc([C@H]2NCCc3c2cc(O)c(O)c3O)cn1 75818942 IGLJGUHFUHWKKM-LLVKDONJSA-N 261.281 0.772 10 10 CCCE NC(=O)C[C@H](N)c1nnc(-c2ccc(O)c(O)c2)o1 83462687 WUHZUSHZFWZUDA-LURJTMIESA-N 264.241 0.023 10 10 CCCE CCOc1cccc([C@@H](N)c2nnc(CNC)o2)c1O 83585612 IOTHDZZRJPKLMB-LLVKDONJSA-N 278.312 0.941 10 10 CCCE C[C@H]1[C@H](C)CN1C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 706885706 HLDVQUYQCWARQD-YWVKMMECSA-N 264.325 0.834 10 10 CCCE c1cc2c(cc1N1CCN(C3CNC3)CC1)OCO2 216401856 YXVTXNMPFHDLJH-UHFFFAOYSA-N 261.325 0.509 10 10 CCCE CN(CCCN=[N+]=[N-])CCC(=O)N1CCN(C)CC1 2117131500 VMXMUYSZNYQOPP-UHFFFAOYSA-N 268.365 0.783 10 10 CCCE [N-]=[N+]=NCCCCN1CCC[C@H](C(=O)NCCN)C1 2118000442 XAZHBATXALHJRM-NSHDSACASA-N 268.365 0.864 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1C[C@@H]2C[C@H]2[C@H]1CO 1905845954 CSQJNLMHETXJOH-HBNTYKKESA-N 263.293 0.480 10 10 CCCE C[C@H](N[C@@H]1[C@H]2CS(=O)(=O)C[C@H]21)c1ccc(O)cc1O 2118011154 AFDNJVNSPNQQPF-UVRHIYEWSA-N 283.349 0.791 10 10 CCCE C[C@@H](NC(=O)c1cccc(O)c1O)c1nccc(N)n1 1556759866 CJFXWKHANUSPHN-SSDOTTSWSA-N 274.280 0.961 10 10 CCCE 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COc1ccc(N2C[C@@H](CS(N)(=O)=O)[C@@H](C)C2)c(N)c1 2144388265 YSRMBUJLGBVUAY-UWVGGRQHSA-N 299.396 0.638 10 10 CCCE N=c1ncc(C(=O)NCCc2ccc(O)c(O)c2)c[nH]1 2148005961 WWYASNIVUYHVNS-UHFFFAOYSA-N 274.280 0.273 10 10 CCCE CCN(CCCO)C[C@@H](O)COc1ccc(N)cc1 165083792 MAAGQHHGPABEEM-CYBMUJFWSA-N 268.357 0.713 10 10 CCCE CNC(=O)[C@@H]1CCCN1C(=O)COc1ccc(N)cc1 42272324 ZFXNLYCNGWAIFN-LBPRGKRZSA-N 277.324 0.385 10 10 CCCE O=C(O)[C@H]1CC2(CC2)CN1C(=O)c1cc(O)nc(O)c1 2152444409 DIZWQKAZGDHANJ-MRVPVSSYSA-N 278.264 0.572 10 10 CCCE CNC[C@@H](C)NS(=O)(=O)Cc1ccc(N)cc1 2016974004 IABFDPGPVSSJJN-SECBINFHSA-N 257.359 0.296 10 10 CCCE Nc1ccc(CCN=c2nnc(Cl)n[nH]2)cc1 2026325694 FZYPAFVFBJNCPM-UHFFFAOYSA-N 250.693 0.579 10 10 CCCE C[C@@H]1CCN[C@H]1CNC(=O)c1ccc(O)c(O)c1 2033146559 GRYZIQKLUPCBOQ-SCZZXKLOSA-N 250.298 0.826 10 10 CCCE [N-]=[N+]=N[C@H]1CCCN(C(=O)[C@@H]2CN3CCN2CC3)CC1 2155754691 OCSHFLAXCKAICU-RYUDHWBXSA-N 278.360 0.678 10 10 CCCE CN(C)C[C@@H](N)C(=O)N(C)Cc1ccc(N(C)C)cc1 702389273 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O=C1Nc2cc(N3CC=CC[C@H]3CO)c(F)cc2[C@@H]1O 2176378423 SPPDIHGXUGTWCQ-SDBXPKJASA-N 278.283 0.938 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CCC(C2CNC2)CC1 2176934758 DNUDOCUKMSGKST-UHFFFAOYSA-N 277.324 0.564 10 10 CCCE CCN(Cc1c(O)cccc1OC)[C@H]1CC(=O)NC1=O 2171204062 LPSCICOPFXTUPG-JTQLQIEISA-N 278.308 0.638 10 10 CCCE COc1cc(N)c(N(C)[C@H]2CC(=O)N(C)C2)cc1OC 2188490673 GTLCXSHPHBRLJC-VIFPVBQESA-N 279.340 0.953 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H]2C[C@@]2(C(=O)O)C1 2188868299 OWWQGRKCXWXOHL-WPPNPWJKSA-N 279.248 0.350 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H]2C[C@]2(C(=O)O)C1 2188868296 OWWQGRKCXWXOHL-CPFSXVBKSA-N 279.248 0.350 10 10 CCCE COCC(=O)N1CCN(c2ccc(CO)c(C)c2)CC1 2182579031 ZCYHQTMOSMILLS-UHFFFAOYSA-N 278.352 0.782 10 10 CCCE O=C(NC[C@H]1CC(F)(F)CO1)c1cc(O)c(O)c(O)c1 2188918994 JEYCEZPPLWNJPR-SSDOTTSWSA-N 289.234 0.957 10 10 CCCE Nc1ccc(OCC(=O)N[C@@H]2CCOC[C@H]2CO)cc1 2193255147 FVOYZPSEXZFNTG-ZWNOBZJWSA-N 280.324 0.161 10 10 CCCE CN(Cc1ccc(O)c(O)c1)C[C@H]1COCCN1 2042369406 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CCCE O=C(N[C@H]1CSCCC1=O)c1cccc(O)c1O 2077585962 LYOPVRZIKBXYFX-QMMMGPOBSA-N 267.306 0.902 10 10 CCCE COc1ccc(CN2CCN(CCN)CC2)c(O)c1 2100782066 PZLSMXNHCIUPEQ-UHFFFAOYSA-N 265.357 0.477 10 10 CCCE O[C@H]1[C@H]2CCN(c3ccc4c(c3)CC[C@H]4O)[C@@H](C2)[C@H]1O 2199531079 IBPVDULDMUNPQO-YDVLKRNPSA-N 275.348 0.987 10 10 CCCE OCc1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CF)c(F)c1 2084799635 VKJXTJRUBYAQIM-SRVKXCTJSA-N 259.252 0.198 10 10 CCCE CN1CCc2cc([C@](C)(O)[C@H]3CNCCO3)ccc21 2106793640 PAVQXLUTJZSIQS-CABCVRRESA-N 262.353 0.875 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1C[C@@H]2CNCC[C@H]2C1 2087094545 KZSPALUOOYRPOR-WPRPVWTQSA-N 263.297 0.174 10 10 CCCE C[C@@H](N)c1ccc(N2CCOC[C@@H]2[C@H](O)CO)cc1 2090135800 KEEGIWNSTWELNY-LERXQTSPSA-N 266.341 0.265 10 10 CCCE CC(C)NC(=O)NCCNCc1ccc(O)cc1O 2092422206 IJDLGEKCOIBKET-UHFFFAOYSA-N 267.329 0.895 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3C[C@H](O)[C@H](F)C3)ccc21 2092827889 ANMAZLZBYMAUCF-USWWRNFRSA-N 265.288 0.418 10 10 CCCE O=C(NC[C@H]1COCCCO1)c1ccc(O)c(O)c1 2097715147 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CNCc1ccc(N2C[C@H]3OCC[C@@]3(CO)C2)cc1 2278946252 NPIQGMTZNCTGHJ-CABCVRRESA-N 262.353 0.994 10 10 CCCE O[C@H]1CCc2cc(N3CC[C@H](O)[C@H](O)CC3)ccc21 2269126755 ZGLINZANFNIHCU-SOUVJXGZSA-N 263.337 0.988 10 10 CCCE NC(=O)C[C@H]1CCCN1C(=O)COc1ccc(N)cc1 2285542602 CAUXMVVBSOFKEG-LLVKDONJSA-N 277.324 0.514 10 10 CCCE C[C@]1(O)[C@H]2C[C@@H]1CN(CC(=O)Nc1ccc(N)cc1)C2 2286202589 IHGKZLCHQVBNFZ-QHBPRCKVSA-N 275.352 0.910 10 10 CCCE CCOC(=O)c1nc(NN(C)S(C)(=O)=O)sc1C 2317495550 QTGSGOSBMUKICK-UHFFFAOYSA-N 293.370 0.847 10 10 CCCE Nc1cc2c(cc1N1C[C@@H]3C[C@H]1[C@@H]3N)NC(=O)CO2 2332126170 KCIONMQTTAZCJN-ANSXDHORSA-N 260.297 0.136 10 10 CCCE Cc1cc([C@@H](C)O)ccc1N1C[C@@H](O)[C@@H](O)[C@H]1CF 2333979336 RMNADBPUFWKSSW-JXJLXUTGSA-N 269.316 0.928 10 10 CCCE COC(=O)[C@]1(NCCN=[N+]=[N-])CC[C@@H](S(C)(=O)=O)C1 2336493873 DLEFINBLVJEUEW-SCZZXKLOSA-N 290.345 0.395 10 10 CCCE C[C@H](O)c1ccc(N2CC(O)(CN(C)C)C2)c(F)c1 2343628467 NUNLSFAZXYAIKP-JTQLQIEISA-N 268.332 0.992 10 10 CCCE CNC(=O)[C@@H]1CCCN1CC(=O)N(C)c1ccc(N)cc1 42391321 FGYUMDDMWWTANX-ZDUSSCGKSA-N 290.367 0.442 10 10 CCCE CC(CO)(CO)NCc1cc(Br)ccc1O 134784954 GXLGLFLSFJIQIZ-UHFFFAOYSA-N 290.157 0.988 10 10 CCCE C[C@H]1CC[C@H](C(N)=O)CN1C(=O)COc1ccc(N)cc1 40330538 OTEPADTVRTTZRI-QWRGUYRKSA-N 291.351 0.760 10 10 CCCE CCOC(=O)CCS(=O)(=O)NCCN=[N+]=[N-] 42538428 UPGUBTQHFFPSEG-UHFFFAOYSA-N 250.280 0.169 10 10 CCCE CC(C)NCc1ccc(N2C[C@H](O)[C@@H](O)C2)cc1 232652087 FUURCKBUMHUXNL-KBPBESRZSA-N 250.342 0.726 10 10 CCCE C[C@H]1OCC[C@@H]1NS(=O)(=O)Cc1ccc(N)cc1 149151020 YMZASYVTFAWNKV-SKDRFNHKSA-N 270.354 0.866 10 10 CCCE C[C@@H](CC(=O)C=[N+]=N)N1C(=O)c2ccccc2C1=O 96307199 RDTOQRJQTZSCLZ-QMMMGPOBSA-N 258.257 0.940 10 10 CCCE CC(=O)N(C(=O)NCCN(C)C)c1ccc(N)cc1 242645332 CQHIPANYVVYXRB-UHFFFAOYSA-N 264.329 0.893 10 10 CCCE COc1ccc(N(C)CC(=O)NC(N)=O)c(OC)c1 269827971 RGGFGDHOZAWTGQ-UHFFFAOYSA-N 267.285 0.335 10 10 CCCE CC(=O)C(=O)COC(=O)c1cccc(N2CCOC2=O)c1 808504793 NCTRAHKXHCNFGU-UHFFFAOYSA-N 291.259 0.958 10 10 CCCE CC(=O)C(=O)COC(=O)c1cnc(C(F)(F)F)nc1 808539258 YFRBGUKYVJDLSB-UHFFFAOYSA-N 276.170 0.810 10 10 CCCE N[C@@H]1CC[C@@H](C(=O)O)N(Cc2cc(F)ccc2O)C1 2132273775 NCEALODOJABNJE-MNOVXSKESA-N 268.288 0.908 10 10 CCCE Nc1ccc(OCCS(=O)(=O)N[C@H]2C[C@H](N)C2)cc1 1876461470 NFPSEOFKNZHHSC-XYPYZODXSA-N 285.369 0.057 10 10 CCCE Nc1ccc(CC(=O)N[C@H]2C[C@@H]3CNC[C@@H]3C2)cc1 1876525918 SSQDYEPHARYANJ-IMRBUKKESA-N 259.353 0.926 10 10 CCCE Nc1cc2c(cc1N1CCN[C@H]3C[C@H]31)NC(=O)CO2 1876215294 KYNAZFWQQJINME-GZMMTYOYSA-N 260.297 0.150 10 10 CCCE COc1ccc(O)c(CN2CC(C3CS(=O)(=O)C3)C2)c1 895427364 GQKLKZAXVWMNOD-UHFFFAOYSA-N 297.376 0.877 10 10 CCCE O=C(N[C@@]12CCC[C@@H]1CNC2)c1cccc(O)c1O 711306268 XXZUEQHBKNDDRE-YMTOWFKASA-N 262.309 0.970 10 10 CCCE C[C@H](O)[C@H](O)CNCc1cc(Br)ccc1O 717376452 ROAXNPQAEDFQSX-WRWORJQWSA-N 290.157 0.986 10 10 CCCE CCN[C@@H](C)c1ccc(N2CC(=O)NC(=O)C2)cc1 97268833 OIYQTEYMFNMRSQ-JTQLQIEISA-N 261.325 0.820 10 10 CCCE Cc1ccc(C(=O)Nn2ccc(O)nc2=O)c(O)c1O 1454274895 MYRAVULCMMIETP-UHFFFAOYSA-N 277.236 0.052 10 10 CCCE COc1c(C(=O)NCCc2ccc(O)c(O)c2)cnn1C 1294908628 IPZSBDZEDSKGDT-UHFFFAOYSA-N 291.307 0.812 10 10 CCCE CC1(C)OC[C@H](CNC(=O)c2ccc(O)c(O)c2)O1 2118156258 JBRIVGIZGBBGHZ-VIFPVBQESA-N 267.281 0.979 10 10 CCCE O=CN1CCCN(C(=O)c2ccc(O)c(O)c2)CC1 2118154857 OEAZMDYQHSTEAY-UHFFFAOYSA-N 264.281 0.402 10 10 CCCE C[S@@](=O)C1(CNC(=O)Cc2ccc(O)c(O)c2)CC1 1634912905 XRVHRFXMVUNWKN-LJQANCHMSA-N 283.349 0.668 10 10 CCCE CN1CCC[C@H](NC(=O)Cc2ccc(O)c(O)c2)C1=O 1633054332 KUHOSFWIIJGSJW-JTQLQIEISA-N 278.308 0.377 10 10 CCCE O=C(O)CN1C(=O)/C(=C/N2CCCC2)SC1=S 11765477 ZVXDMGCFRRCLPJ-ALCCZGGFSA-N 272.351 0.869 10 10 CCCE O=C(N[C@@H]1[C@@H]2CCCN[C@H]21)c1cc(O)c(O)c(O)c1 2132400827 PJOPCTXDXYEYFZ-AVPPRXQKSA-N 264.281 0.284 10 10 CCCE COc1ccc(N(CCN)CC(=O)O)c(OC)c1 259354769 JZNHLJMBNXIJDM-UHFFFAOYSA-N 254.286 0.554 10 10 CCCE [N-]=[N+]=NC1CCN(C[C@@H](O)CN2CCOCC2)CC1 1912182984 JOWZRMINXCBMKH-GFCCVEGCSA-N 269.349 0.454 10 10 CCCE C[C@H]1C[C@@H](C(=O)O)N1C(=O)c1cc(O)nc(O)c1 1913170417 RHDHJWFRYYDPDP-FSPLSTOPSA-N 252.226 0.180 10 10 CCCE Cc1nc(CCNCc2ccc(O)c(O)c2O)no1 231874105 CNIHDXDBLXZAFX-UHFFFAOYSA-N 265.269 0.827 10 10 CCCE CCN(C[C@H]1CCCNC1)C(=O)c1cc(O)nc(O)c1 233488279 HGYBZLDTOGHAHF-JTQLQIEISA-N 279.340 0.955 10 10 CCCE CNCc1ccc(N2CCS(=O)(=O)CC2)cc1OC 2139696417 HIWAYZBTLYZRBP-UHFFFAOYSA-N 284.381 0.649 10 10 CCCE N[C@@H]1C[C@@H]2C[C@H](NC(=O)c3cc(O)nc(O)c3)C[C@@H]12 2137367226 BPLXGMLRGVHLRZ-BEYHFKMWSA-N 263.297 0.348 10 10 CCCE CC[C@@H]1C(=O)NCCN1c1ccc(CO)c(OC)c1 2139704156 IDWGBZHGARCYPI-GFCCVEGCSA-N 264.325 0.902 10 10 CCCE CCNC(=O)[C@H]1COCCN1c1ccc(CN)cc1F 128073420 OWLPHHBHUYSTJT-CYBMUJFWSA-N 281.331 0.626 10 10 CCCE CN(C[C@H]1CCS(=O)(=O)C1)C(=O)c1cccc(O)c1O 1970364453 AVEDWKOFEPQQIF-SECBINFHSA-N 299.348 0.605 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCc1nccs1 41013440 HQBWTNNXCMEDLY-VIFPVBQESA-N 293.348 0.741 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CCC([C@@H](O)CO)CC1 2152462982 BETNDQIVOZRQBE-ZDUSSCGKSA-N 281.308 0.303 10 10 CCCE CN1C[C@H](O)[C@H](NCc2cc(F)cc(F)c2O)C1 2029869423 FPCCYSGAPWKPNS-MNOVXSKESA-N 258.268 0.435 10 10 CCCE CN1CCN(C)[C@H](C(=O)N2CC[C@H](N=[N+]=[N-])C2)C1 2038243173 OXQDYAGINQTDKT-UWVGGRQHSA-N 252.322 0.143 10 10 CCCE O=C1CC[C@@H](CNCc2ccc(O)cc2O)CN1 2041471799 OJKOKKSQPXRSGQ-VIFPVBQESA-N 250.298 0.714 10 10 CCCE CO[C@]1(CO)CCN(Cc2cc(N)ccc2O)C1 402884829 BTDXPEPLSKSXMR-CYBMUJFWSA-N 252.314 0.558 10 10 CCCE Nc1ccc(NC(=O)N2CCC[C@](O)(CO)C2)cc1 313761924 ULHSKVUACOWQRM-CYBMUJFWSA-N 265.313 0.620 10 10 CCCE CC1(C)CNC(=O)CN1CC(=O)Nc1ccc(N)cc1 2175722310 JYOAXHDWWQWVTF-UHFFFAOYSA-N 276.340 0.418 10 10 CCCE C[C@H](N)c1ccc(N2C[C@H](CO)[C@@H](CO)C2)cc1O 707531283 ZKGZWPTUUJGQED-HBNTYKKESA-N 266.341 0.449 10 10 CCCE O=C(O)Cc1csc(NC(=O)c2cc(O)nc(O)c2)n1 686002665 TXUJWJCPFCDVPJ-UHFFFAOYSA-N 295.276 0.829 10 10 CCCE CC(C)(O)[C@](C)(NC(=O)c1ccc(O)c(O)c1)C(=O)O 2178407717 QGJAEXCFKQIUKD-CYBMUJFWSA-N 283.280 0.442 10 10 CCCE C[C@H]1CN(CC(=O)Nc2ccc(N)cc2)C[C@H]1CO 709379584 AGZKHGOKVUDIOT-QWRGUYRKSA-N 263.341 0.768 10 10 CCCE C[C@H](NC(=O)COc1ccc(N)cc1)c1nc(O)n[nH]1 392379857 LPFHDQNBMOTZKL-ZETCQYMHSA-N 277.284 0.349 10 10 CCCE C[C@H](O)[C@@H](C)NS(=O)(=O)CCOc1ccc(N)cc1 395773016 RLDDUNWQQPXUCE-ZJUUUORDSA-N 288.369 0.336 10 10 CCCE C[C@@H](CN[C@H](C)c1c(O)cccc1O)S(N)(=O)=O 398321658 HJFUGAOEMWKVJU-JGVFFNPUSA-N 274.342 0.425 10 10 CCCE Nc1ccc(NC(=O)N2C3COCC2COC3)cc1 399857148 BAGKAKKKBBHYER-UHFFFAOYSA-N 263.297 0.900 10 10 CCCE Cc1cc(O)n2ncc(C(=O)N[C@@H]3CCOC3)c2n1 2062857505 ZKJQZDVLQDWRPD-MRVPVSSYSA-N 262.269 0.262 10 10 CCCE C[C@H](O)c1ccc(N2CC3(CNC(=O)N3C)C2)cc1O 2177690608 YXGGVYKAWLLEMF-VIFPVBQESA-N 277.324 0.659 10 10 CCCE N[C@@H](CC(=O)C(=O)C[C@H]1C[C@H](N)C1)C(F)(F)F 1908661744 NMZJVSHMRSPIJP-WATHFIQWSA-N 252.236 0.532 10 10 CCCE C[C@H]1C[C@H](C(=O)O)N(C(=O)c2cc(O)c(O)c(O)c2)C1 2188868036 LCDXWQBHGNWTJQ-POYBYMJQSA-N 281.264 0.739 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CC2(CCCNC2)C1 2188919395 MOJJSGRUIDBUEO-UHFFFAOYSA-N 278.308 0.629 10 10 CCCE O=C(NC1([C@H]2CCNC2)CC1)c1cc(O)c(O)c(O)c1 2188922105 FYJFLLGNJQMTGN-VIFPVBQESA-N 278.308 0.675 10 10 CCCE N[C@H]1CCOC[C@@H]1CC(=O)C(=O)C[C@H]1C[C@H](N)C1 2049782692 LTRYHAFSBDBBQD-NAKRPEOUSA-N 254.330 0.006 10 10 CCCE C[C@@H]1CN[C@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)[C@H](C)C1 2049782536 JZKXLCNLBNEVHT-FBUUZDRASA-N 252.358 0.886 10 10 CCCE CNCc1ccc(N2CC([C@@H]3NC(=O)NC3=O)C2)cc1 2184958099 PPXHVCFLYQAVBZ-LBPRGKRZSA-N 274.324 0.050 10 10 CCCE NC1(c2nc(-c3ccc(O)c(O)c3)no2)CC(CO)C1 2193923412 GUMDGSWKBKYSOV-UHFFFAOYSA-N 277.280 0.704 10 10 CCCE CN(C(=O)C1=C[C@@H](O)[C@@H](N)C1)c1ccccc1F 2067754801 HMKCCCVTAHZGSI-CMPLNLGQSA-N 250.273 0.807 10 10 CCCE COC[C@H]1C[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2068619148 WVKDBZHKDSMJOZ-SFYZADRCSA-N 253.254 0.568 10 10 CCCE NC[C@@H]1CC[C@H]1C(=O)NCCc1ccc(O)c(O)c1 2101176561 ZSEOPUWDNDKAHQ-WDEREUQCSA-N 264.325 0.741 10 10 CCCE CNC1(C(=O)NCc2cccc(C)c2O)COC1 2084059263 QQMWMJZYFKLAIX-UHFFFAOYSA-N 250.298 0.305 10 10 CCCE CO[C@@H]1CNC[C@@H]1[C@@H](O)c1ccc2c(c1)CCN2C 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O=C(N[C@@H]1CNC2(CCC2)C1)c1cc(O)nc(O)c1 2099381732 ZLPSXEWAFUDOLT-VIFPVBQESA-N 263.297 0.507 10 10 CCCE NCc1ccc(N2CCN3C(=O)OC[C@@H]3C2)cc1F 2114271925 MLPCTJYFNCODOQ-NSHDSACASA-N 265.288 0.925 10 10 CCCE C[C@]1(O)CN(CCCOc2ccc(N)cc2)CC[C@@H]1O 2201499573 HKCFNYMAJWVLOF-GJZGRUSLSA-N 280.368 0.855 10 10 CCCE CO[C@@H]1CN(c2ccc(CO)c(C)c2)[C@@H](CO)[C@H]1OC 2233354076 NUAXBJUPFBVECI-RRFJBIMHSA-N 281.352 0.698 10 10 CCCE CO[C@@H]1[C@H](OC)CN(c2ccc(CN)cc2C)[C@@H]1CO 2233352405 DOZLQVCTBSUQPR-KFWWJZLASA-N 280.368 0.665 10 10 CCCE N[C@@H]1C[C@H]2CN(C(=O)c3ccc(O)c(O)c3)CC[C@@H]12 2224659885 FDERKUJEXUXFHV-HBNTYKKESA-N 262.309 0.907 10 10 CCCE COc1ccc(N2C[C@@H]3CN[C@H](CO)[C@@H]3C2)cc1F 2227328849 RFWDEDXPXWUHMI-UFGOTCBOSA-N 266.316 0.851 10 10 CCCE CCNCc1cc(OC)ccc1N1C[C@H](O)[C@H](O)C1 2227682580 PUMLDLPATYPQML-OKILXGFUSA-N 266.341 0.347 10 10 CCCE O=C(CCn1ccc2c(c1=O)CNCC2)NC1CC1 2228549084 BQQGQZADYDDFJP-UHFFFAOYSA-N 261.325 0.163 10 10 CCCE CC(=O)N[C@H](COc1ccc(N(C)C)cc1)C(=O)O 2229373136 JLVLXPMRXJITLX-GFCCVEGCSA-N 266.297 0.721 10 10 CCCE Cc1cc([C@@H](C)O)ccc1N1CC(O)(CCO)C1 2258285136 CODYBKHHNDLAFC-LLVKDONJSA-N 251.326 0.982 10 10 CCCE Cc1cc(N2CC3(CNS(=O)(=O)C3)C2)ccc1[C@@H](C)O 2285160133 ZXGGFKOUELGIRT-LLVKDONJSA-N 296.392 0.788 10 10 CCCE COc1cc(OC)c(N2CCOC[C@H]2CO)cc1OC 2289444807 AQZXJQCTICVQEP-SNVBAGLBSA-N 283.324 0.910 10 10 CCCE C[C@@H](N)c1ccc(N2C[C@H](O)C[C@@H]2CO)cc1O 2313614565 RTQYVUBSCWZIDM-FBIMIBRVSA-N 252.314 0.344 10 10 CCCE NCc1ccc(N2C[C@H]3CS(=O)(=O)[C@@H]3C2)c(F)c1 2314966961 ZITCNMMYAGBVLE-JOYOIKCWSA-N 270.329 0.518 10 10 CCCE [N-]=[N+]=N[C@H]1CCN(C(=O)[C@H]2COC[C@H]2C(=O)O)C1 2316417419 ARZHBYDGWPXWSX-BIIVOSGPSA-N 254.246 0.245 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC[C@H](F)C2=O)cc1 2317872836 VLTHUAFXZQJEKW-JTQLQIEISA-N 272.301 0.669 10 10 CCCE Cc1cc(N2C[C@H]3C[C@H](O)[C@H](O)[C@@H]2C3)ccc1CO 2330387719 XUAAWPOWYPYRDB-SDJAHQOYSA-N 263.337 0.808 10 10 CCCE NC(=O)c1cccc(N)c1N[C@H]1CCN[C@@H]2CC[C@H]12 2332130402 FDMHCQGPCQBZEG-AXTRIDKLSA-N 260.341 0.920 10 10 CCCE Cc1c([C@H](C)N)ccc(N2CC(=O)NC(=O)C2)c1C 2340860203 UIJHYKUOOFJAAB-JTQLQIEISA-N 261.325 0.786 10 10 CCCE C[C@@H](O)CN(CCO)c1c(F)cc(CN)cc1F 310795291 CDHNRRCGGZBPHO-MRVPVSSYSA-N 260.284 0.603 10 10 CCCE N[C@@H](CO)c1c(Br)cc(F)c(O)c1O 213346327 JKJXCBMCKNJHIN-YFKPBYRVSA-N 266.066 0.992 10 10 CCCE NC(=S)[C@H]1CCCN1C(=O)c1cccc(O)c1O 126157925 XQXCVUXWJYQZGK-MRVPVSSYSA-N 266.322 0.989 10 10 CCCE CCCNC(=O)[C@@H](C)N(CC(N)=O)Cc1ccc(N)cc1 35366665 FGEZVXZLLBFUKG-LLVKDONJSA-N 292.383 0.471 10 10 CCCE C[C@H](O)CN1CCN(C(=O)Cc2ccc(N)cc2)C[C@H]1C 246698748 WBJDJJXNWQSOLR-OLZOCXBDSA-N 291.395 0.725 10 10 CCCE CCNCc1ccc(N2C[C@@H](O)[C@H](OC)C2)cc1 396002923 QKMYMKKZYFTMJH-ZIAGYGMSSA-N 250.342 0.992 10 10 CCCE CC(=O)C(=O)COC(=O)C(F)(F)C1CCOCC1 808540891 JCZHDDHIZCVRGU-UHFFFAOYSA-N 264.224 0.750 10 10 CCCE CC(=O)C(=O)COC(=O)C(F)(F)C1(O)CCCC1 808541094 DAUFMXABCNRHQR-UHFFFAOYSA-N 264.224 0.628 10 10 CCCE CN[C@@H](c1ccc(N(C)C)cc1)C1(O)COCCOC1 2163137731 GHYSUWHUDYRHSR-AWEZNQCLSA-N 280.368 0.791 10 10 CCCE CN1CCCc2cc([C@H](NN)[C@@H]3CCS3(=O)=O)ccc21 2163161553 XSIJDMAZFZCOPT-KBPBESRZSA-N 295.408 0.761 10 10 CCCE N[C@@H](c1cc(Br)ccc1O)[C@@H](O)CO 713727708 ITOPMQGNHAMJRS-IUCAKERBSA-N 262.103 0.508 10 10 CCCE O=C(N[C@H](CCO)C(F)F)c1cc(O)c(O)c(O)c1 2132348235 GZNGCGQQQBCRMB-ZCFIWIBFSA-N 277.223 0.549 10 10 CCCE COCCNC(=O)CN(C)c1ccc([C@H](C)N)c(O)c1 723181112 CUVCOIMYURVXDP-JTQLQIEISA-N 281.356 0.611 10 10 CCCE Nc1ccc(N2CCN(CC3CS(=O)(=O)C3)C2=O)cc1 722771966 NEIREZFZZLOISJ-UHFFFAOYSA-N 295.364 0.555 10 10 CCCE O=C(NC[C@@H]1[C@@H]2CCO[C@@H]21)c1cc(O)c(O)c(O)c1 2132407623 QKTXXXWDXUWQND-SXMVTHIZSA-N 265.265 0.568 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CC[C@]12CCOC2 2132414682 ZHAIZGNSZVDWJK-CYBMUJFWSA-N 265.265 0.808 10 10 CCCE O=S1(=O)CC[C@@]2(CN(Cc3ccccc3O)CCO2)C1 843425529 BMSVCWLLJWXNIG-CQSZACIVSA-N 297.376 0.782 10 10 CCCE CN(C[C@@H](O)C1CC1)c1ccc2c(c1)NC(=O)[C@H]2N 690272771 GVVDMYYNONWSJE-OLZOCXBDSA-N 261.325 0.846 10 10 CCCE C[C@H]1CNCCN(S(=O)(=O)Cc2ccc(N)cc2)C1 1876538781 RVNTWGNCNZZDAD-NSHDSACASA-N 283.397 0.640 10 10 CCCE COc1ccc(N2C[C@H]3CCO[C@@]3(CN)C2)c(N)c1 1876674307 KEDPNTNHISZAGK-YGRLFVJLSA-N 263.341 0.831 10 10 CCCE Cc1cc(N2C[C@@H]3C[C@H]2CN3C(N)=O)ccc1CO 1877062585 DTWHFUDOZUJRBJ-STQMWFEESA-N 261.325 0.829 10 10 CCCE NC[C@@H]1[C@H]2C[C@@H]2CN1S(=O)(=O)Cc1ccc(N)cc1 1905417719 ZOFMQMXKLJGCID-KGYLQXTDSA-N 281.381 0.378 10 10 CCCE Cc1ccc(O)c(CN2C[C@H](O)C[C@H]2C(N)=O)c1 895367356 DBTJGRSXXVNOGQ-MNOVXSKESA-N 250.298 0.121 10 10 CCCE CC(=O)C(=O)COC(=O)[C@H](Oc1ccccc1)C(C)(C)O 795743709 ZUGQVWCQHAGBLW-ZDUSSCGKSA-N 294.303 0.906 10 10 CCCE COc1cccc([C@H](N)C(=O)NCCN(C)C)c1O 83495150 HFFSHBJPVWLOLH-NSHDSACASA-N 267.329 0.078 10 10 CCCE CNCc1nnc([C@@H](N)c2cccc(OC)c2O)o1 83463260 CRDZIRLESZHXEQ-JTQLQIEISA-N 264.285 0.551 10 10 CCCE CN(C)c1ccc(CNS(=O)(=O)C2CNC2)cc1 722230451 NBYNHMDZXDOWIG-UHFFFAOYSA-N 269.370 0.144 10 10 CCCE CC(=O)c1ccc(O)c(CN(C)[C@@H]2COC[C@@H]2O)c1 708140601 XTERKMIWPKJEQS-OCCSQVGLSA-N 265.309 0.786 10 10 CCCE CN(c1ccc(CN)c(Cl)c1)[C@@H]1COC[C@@H]1O 709397086 CEJRYXDLIAXIHQ-NEPJUHHUSA-N 256.733 0.995 10 10 CCCE CN1CCN(C(=O)CCc2ccc(N)cc2)CCC1=O 688968268 UHLQDCGMHIXNNT-UHFFFAOYSA-N 275.352 0.892 10 10 CCCE CCNCc1ccc(N2CC(=O)NC(=O)C2)cc1C 97269804 FBYOKSYGFNHPNT-UHFFFAOYSA-N 261.325 0.567 10 10 CCCE Cc1cc(CNC(C)C)ccc1N1CC(=O)NC(=O)C1 97269733 MJHIJRCAZRCOAT-UHFFFAOYSA-N 275.352 0.956 10 10 CCCE Nc1nnc(CC(=O)N2Cc3cccc(O)c3C2)s1 1521767750 JMIOXKLMGDAVTH-UHFFFAOYSA-N 276.321 0.911 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3CCO[C@H]4C[C@H]43)ccc21 2115156172 PBYKOQHHWNCXTL-AGIUHOORSA-N 259.309 0.877 10 10 CCCE CN(C)C(=O)[C@H]1CSCN1C(=O)c1cccc(O)c1O 1626241505 SKRUGLRJWXRVAY-SECBINFHSA-N 296.348 0.701 10 10 CCCE [N-]=[N+]=NCCN[C@]1(C(=O)O)COC2(CCOCC2)C1 2122398350 VTMYHVJLCITJPM-NSHDSACASA-N 270.289 0.679 10 10 CCCE O=C(O)[C@@H]1CNCCN(c2ccc3c(c2)OCO3)C1 217065630 KRUKMWCBYVNWOR-SECBINFHSA-N 264.281 0.526 10 10 CCCE O=C1C[C@@H](CNC(=O)NCc2ccccc2O)CN1 1682000915 NMNUBTJKTUOJJX-SECBINFHSA-N 263.297 0.328 10 10 CCCE CNC(=O)C[C@@H](C)NC(=O)NCc1ccc(OC)cc1O 1682613744 QANZXVLZZCDIPD-SECBINFHSA-N 295.339 0.725 10 10 CCCE CN(C[C@@H](N)CC(=O)O)c1ccc2c(c1)CC(=O)N2 258943407 PXRSRORRSYUDHT-VIFPVBQESA-N 263.297 0.419 10 10 CCCE CN(C[C@@H]1CCN1C)c1ccc2c(c1)NC(=O)[C@H]2N 2129881336 DBYFAQNDIGANDZ-GWCFXTLKSA-N 260.341 0.779 10 10 CCCE O=C1N[C@@H]2CN(c3ccc4c(c3)CC[C@@H]4O)C[C@@H]2O1 2128314767 KGXXSBCHTQQKFH-AGIUHOORSA-N 260.293 0.963 10 10 CCCE Nc1ccc(N2C(=O)C[C@H]3COC[C@@H]3NC2=O)cc1 2131395128 PFFAULMWMZDAPM-KWQFWETISA-N 261.281 0.730 10 10 CCCE CS(C)(=O)=NCCNC(=O)Cc1ccc(N)cc1 1913507462 YLUIHPDOOGVOAO-UHFFFAOYSA-N 269.370 0.655 10 10 CCCE CCOC(=O)[C@]1(NCCCN=[N+]=[N-])CCNC[C@@H]1OC 1912146150 PVQFYYJKQLDYEK-JQWIXIFHSA-N 285.348 0.587 10 10 CCCE COCCCNC(=O)[C@H](C)N1CC[C@@H](N=[N+]=[N-])C1 1912206725 KYJJOOPVKUVWJH-VHSXEESVSA-N 255.322 0.912 10 10 CCCE CCCN(CC(=O)Nc1ccc(N)cc1)S(C)(=O)=O 1913827258 COHCKFFTDFPEEV-UHFFFAOYSA-N 285.369 0.879 10 10 CCCE Nc1ccc(OCCN2C[C@H](O)[C@@H](O)[C@@H]2CF)cc1 2140660804 BRGQEOZIBAMZSL-AVGNSLFASA-N 270.304 0.023 10 10 CCCE Cc1cccc(CNC(=O)C2(O)CCNCC2)c1O 2139760073 NWBORIDHOUSCOG-UHFFFAOYSA-N 264.325 0.431 10 10 CCCE CNCCN(C)S(=O)(=O)NCc1cccc(C)c1O 2139763687 IOEMAEADCBUHKO-UHFFFAOYSA-N 287.385 0.186 10 10 CCCE C[C@@H](NC(=O)[C@H](N)CCC(N)=O)c1ccccc1O 2141239316 WDUYHXSGSLAVHC-PSASIEDQSA-N 265.313 0.162 10 10 CCCE NCc1ccc(N(CCCO)CCCO)cc1F 1922157649 ZZUHIEBFGIAGDF-UHFFFAOYSA-N 256.321 0.856 10 10 CCCE C[C@@H]1C(=O)NC(=O)CN1CCCc1ccc(N)cc1 122669046 PCSDKSMNYRLDHR-SNVBAGLBSA-N 261.325 0.548 10 10 CCCE C[C@]1(CNC(=O)c2cccc(O)c2O)CCNC1=O 2136076051 MLISCRIZTSROSU-CYBMUJFWSA-N 264.281 0.354 10 10 CCCE COc1cccc(CN(C)C[C@H]2CNCCO2)c1O 125512974 SJXACQZDWQSLLI-GFCCVEGCSA-N 266.341 0.821 10 10 CCCE Oc1ccc(CN[C@H]2COC3(CCC3)[C@H]2O)c(O)c1 2141558133 QGFLDESLMXOPGU-AAEUAGOBSA-N 265.309 0.870 10 10 CCCE O=S1(=O)C[C@@H](c2ccc(N3CCCC3)cc2)NCCN1 1952493831 VWWCMPMSPANQCV-AWEZNQCLSA-N 295.408 0.851 10 10 CCCE CC(C)NC(=O)NCCNC(=O)c1ccc(O)c(O)c1 2148844129 YMRPHELQXGINEP-UHFFFAOYSA-N 281.312 0.535 10 10 CCCE CO[C@@H]1COC[C@@H]1N1CCN(c2ccc(N)cc2)CC1 2146756088 LNYVLSLXMQWPHK-LSDHHAIUSA-N 277.368 0.805 10 10 CCCE CNC(=O)OC1CN(S(=O)(=O)Cc2ccc(N)cc2)C1 2146890841 MQZRXKRWSBRNBL-UHFFFAOYSA-N 299.352 0.139 10 10 CCCE Cc1nc(NC(=O)[C@H]2CNc3ccccc3N2)nn1C 2146938372 DQCWANGDHCCBBS-LLVKDONJSA-N 272.312 0.968 10 10 CCCE COc1cc(O)c([C@@H](N)CC(=O)O)cc1C(=O)O 258377035 LITNAQNAAZBIPI-ZETCQYMHSA-N 255.226 0.574 10 10 CCCE C[C@@H]1CO[C@H](CO)CN1C(=O)Cc1ccc(N)cc1 167721523 VIRMZZVVEKIAQY-MFKMUULPSA-N 264.325 0.420 10 10 CCCE CCOC(=O)C[C@H](N)c1cc(C#N)c(O)cc1O 260166838 DMJANSIPVFGHCB-VIFPVBQESA-N 250.254 0.922 10 10 CCCE CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[C@H](O)CN1 37801166 RVUSTMSBYUFNEY-UONOGXRCSA-N 277.368 0.434 10 10 CCCE COC(=O)[C@H](C)S(=O)(=O)N(C)Cc1ccc(N)cc1 49063414 NQZFTNFGACCPOV-VIFPVBQESA-N 286.353 0.592 10 10 CCCE C[C@@H](NS(=O)(=O)CCCO)c1ccccc1O 2017520309 FBUPYWHBCAWVEG-SECBINFHSA-N 259.327 0.755 10 10 CCCE [N-]=[N+]=NC[C@@H]1NCC2(CCS(=O)(=O)CC2)CO1 2022229629 CDKJHTRCAZKKJI-MRVPVSSYSA-N 260.319 0.438 10 10 CCCE N=c1[nH]cc(CNC(=O)c2cccc(O)c2O)s1 2028666821 JEHZCEGCCQONCP-UHFFFAOYSA-N 265.294 0.897 10 10 CCCE CN1CCc2cc([C@H](N)[C@H]3CCN(C)S3(=O)=O)ccc21 2154716879 CWJCVPVYLPSGLK-KGLIPLIRSA-N 295.408 0.713 10 10 CCCE O=C(O)C1=CCN(C(=O)c2cccc(O)c2O)CC1 403625528 SPYNCKQBFFGWIL-UHFFFAOYSA-N 263.249 0.955 10 10 CCCE COc1ccc(N2CCN3C[C@@H](O)C[C@H]3C2)c(N)c1 405318480 SNVQPZPDIJXDOO-QWRGUYRKSA-N 263.341 0.533 10 10 CCCE Nc1ccc(OCCS(=O)(=O)N2CCCOC2)cc1 311355605 NDTUZGXGLYJHQV-UHFFFAOYSA-N 286.353 0.657 10 10 CCCE C[C@@H]1COC[C@@H]1OC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 703430859 TXGCBJXXNWHRSY-DVYJOKAKSA-N 281.308 0.546 10 10 CCCE O=C(O)[C@@]12CN(Cc3ccc(O)c(O)c3)C[C@@H]1CCO2 705058380 ZMQJHIQALBKCDG-IINYFYTJSA-N 279.292 0.773 10 10 CCCE [N-]=[N+]=NCCNC(=O)[C@H](NC(N)=O)c1ccccc1 706355060 VNVITURHIQDQQO-SECBINFHSA-N 262.273 0.823 10 10 CCCE O=C(NC[C@H]1CCCCS1(=O)=O)c1ccc(O)c(O)c1 694393984 DMOBWDUCTDRMID-SNVBAGLBSA-N 299.348 0.795 10 10 CCCE C[C@H]1CN(c2cc3c(cc2N)OCCO3)C[C@H]1O 387903858 QOEQSVNILZFFGL-GZMMTYOYSA-N 250.298 0.857 10 10 CCCE Nc1ccc(CS(=O)(=O)NCCN2CC=CCC2)cc1 392186844 FZPRVIFVHFUMFV-UHFFFAOYSA-N 295.408 0.950 10 10 CCCE CO[C@H]1COCC[C@@H]1NCc1cccc(O)c1O 394087026 XDINSZVHFLIBNQ-JQWIXIFHSA-N 253.298 0.991 10 10 CCCE C[C@@H]1C[C@@H](OC(=O)[C@H](N)Cc2ccc(O)c(O)c2)CO1 2172343198 HPZZLIUWLZGDSX-FBIMIBRVSA-N 281.308 0.688 10 10 CCCE CN(C1COC1)C1CN(c2c(F)cc(CO)cc2F)C1 2173118450 OBEXEEHCATUYAY-UHFFFAOYSA-N 284.306 0.976 10 10 CCCE Nc1ccc(OC[C@@H](O)CN2CC3(CC[C@H]3O)C2)cc1 2179703589 MODCGENYPGGDNN-GXTWGEPZSA-N 278.352 0.465 10 10 CCCE O=C(N[C@@H]1C[C@@H]2[C@H](C(=O)O)[C@@H]2C1)c1cccc(O)c1O 2169222480 HDVUEQAEPPKMDF-ANNWXAMDSA-N 277.276 0.937 10 10 CCCE C[C@H](N)c1ccc(N2CCN([C@H](C)CO)CC2)cc1O 2169363898 NESHHSYKNUFBEI-NEPJUHHUSA-N 279.384 0.915 10 10 CCCE C[C@H](N)c1ccc(N2CC(N3CCOCC3)C2)cc1O 2169500912 SAPLZBGJAADALD-NSHDSACASA-N 277.368 0.933 10 10 CCCE CN(CC(=O)N1CCCNCC1)Cc1ccccc1O 2192595758 INBKNUHDOXEIJS-UHFFFAOYSA-N 277.368 0.646 10 10 CCCE Nc1ccc(OC[C@H](O)CN2CCC=C[C@H]2CO)cc1 2182340297 KFYKONNYXKBZHN-UONOGXRCSA-N 278.352 0.631 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CC[C@@H]2COC[C@H]2C1 2188875236 PCQFIFCNLBZGPG-PSASIEDQSA-N 279.292 0.912 10 10 CCCE O=C(NCCc1cc(O)n[nH]1)c1cc(O)c(O)c(O)c1 2188875356 PXJPGTLJICYGEA-UHFFFAOYSA-N 279.252 0.205 10 10 CCCE CN(C(=O)c1cc(O)c(O)c(O)c1)C1COCCOC1 2188921687 CSNKNGSNFDSBOU-UHFFFAOYSA-N 283.280 0.291 10 10 CCCE CN(C)c1ccc(CNS(=O)(=O)CC(=O)O)cc1 2042330142 DQAFXTVTMBLAMB-UHFFFAOYSA-N 272.326 0.257 10 10 CCCE CC[C@@H](O)CN(C)CC(=O)Nc1ccc(N)cc1 2044561977 ZRFQQMUEDBCZMA-GFCCVEGCSA-N 251.330 0.910 10 10 CCCE COCC[C@](O)(COC)[C@@H](N)c1ccccc1O 2047288647 OLHAFWOHSCLHKT-STQMWFEESA-N 255.314 0.806 10 10 CCCE C[C@H]1C(=O)CCCN1C(=O)c1cc(O)nc(O)c1 2051935398 SJUFFEPZRHRTPU-ZETCQYMHSA-N 250.254 0.686 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CCO[C@H](CF)C1 2052006810 WMRYGRSVLFMSKO-SECBINFHSA-N 255.245 0.908 10 10 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C[C@H](NCCCNS(N)(=O)=O)c1cc(F)ccc1O 2101321000 CHIODDDAXUVGOR-QMMMGPOBSA-N 291.348 0.365 10 10 CCCE Nc1ccc(CCN2CC[C@H](N3CC(O)C3)C2)cc1 2102527516 LCPJRFXDKWDPBD-AWEZNQCLSA-N 261.369 0.562 10 10 CCCE O=C(O)[C@H]1CNCCN1c1ccc2c(c1)CCCO2 2106327613 XOCHHNDSPOHIAZ-GFCCVEGCSA-N 262.309 0.874 10 10 CCCE Nc1ccc(OCCCN2CCN(C=O)CC2)cc1 2106664634 OJLQNCFSTQOICK-UHFFFAOYSA-N 263.341 0.812 10 10 CCCE O=C1NCCC[C@H]1CNCc1ccc(O)c(O)c1O 2087738224 IZGXVXMAQLKXGU-VIFPVBQESA-N 266.297 0.419 10 10 CCCE O=C1C[C@@H](c2nc(-c3ccc(O)c(O)c3)no2)NN1 2088092190 GHGUELDBHLZHAD-LURJTMIESA-N 262.225 0.213 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CC[C@@H](O)[C@@H](F)C3)ccc21 2088307515 ZVDOBPYRNVTNHE-WCQGTBRESA-N 265.288 0.548 10 10 CCCE Cn1nc(CN)cc1C(=O)NCc1ccccc1O 2088504426 JXOQJBSKEIIRFP-UHFFFAOYSA-N 260.297 0.514 10 10 CCCE NN[C@@H](c1ccccc1O)[C@H]1CN2CCCN1CC2 2090036526 CYDMZNNQOIPVLX-OCCSQVGLSA-N 262.357 0.287 10 10 CCCE Cc1nnc2n1C[C@@H]([C@H](NN)c1ccccc1O)C2 2111433298 LBUSITDFVMWNGF-ZANVPECISA-N 259.313 0.669 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@]12CC[C@@H]1CNC2 2095024899 UAHRQRZSDRGHIT-QMTHXVAHSA-N 262.309 0.509 10 10 CCCE COc1ccc(O)c([C@@H](C)N[C@H]2CC(=O)NC2=O)c1 2096084534 RZAWOLPUYZVCKT-XCBNKYQSSA-N 264.281 0.467 10 10 CCCE COc1ccc(O)c([C@@H](C)N2C[C@H](O)C[C@H]2C(=O)O)c1 2200879714 WEYKAXCZKVKKLM-LNLATYFQSA-N 281.308 0.982 10 10 CCCE NCCc1nnc(NC(=O)Cc2ccc(O)c(O)c2)o1 2203635250 UHIORJBGGWGXSP-UHFFFAOYSA-N 278.268 0.163 10 10 CCCE OCCCN(CCO)c1ccc2c(c1)COCC2 2219528238 PXXZQFBHNCKPNR-UHFFFAOYSA-N 251.326 0.940 10 10 CCCE OCc1cc(F)c(N2C[C@@H]3COC[C@@]3(CO)C2)c(F)c1 2234565604 HWKAFXBVOUXZCG-YGRLFVJLSA-N 285.290 0.902 10 10 CCCE COc1cccc(O)c1CN1C[C@@H]2CN[C@H](CO)[C@H]2C1 2235567093 JDOQKPQGMDTZSA-GMXVVIOVSA-N 278.352 0.413 10 10 CCCE Nc1ccc(OCC(=O)NCCN2CCCO2)cc1 2225740275 PFEBLVKUDIBRLM-UHFFFAOYSA-N 265.313 0.401 10 10 CCCE C[C@H]1[C@@H](O)CCN1c1ccc2c(c1)N(C)C(=O)[C@H]2O 2273244327 OHPUDVCKZPRRDI-HJIKLVIJSA-N 262.309 0.656 10 10 CCCE COC(=O)N[C@H](C)CNC(=O)c1cccc(O)c1O 2274581312 KMHMHQRFOGMMLS-SSDOTTSWSA-N 268.269 0.572 10 10 CCCE OC[C@@H]1[C@H](O)[C@H](O)CN1c1ccc(OC(F)F)cc1 2278527446 YOGLNONPPDXQQZ-MXWKQRLJSA-N 275.251 0.191 10 10 CCCE COc1cc(C)c(N2CC[C@@](O)(CO)[C@H](O)C2)c(C)c1 2285055289 BAVKDVWREITSCM-UKRRQHHQSA-N 281.352 0.606 10 10 CCCE COc1ccc(N2C[C@H](O)[C@H](O)[C@@H](CO)C2)c(C)c1C 2289362917 QIGNRVWTWNWZGW-OSAQELSMSA-N 281.352 0.462 10 10 CCCE O=S1(=O)C[C@@H]2CN(c3ccc(CO)cc3F)C[C@H]21 2314888786 BRBJKGKUCRJFHU-JOYOIKCWSA-N 271.313 0.551 10 10 CCCE CSc1cc(N2C[C@@H](O)[C@@H](CO)C2)ccc1CN 2328537362 CTRTWMZYCGWEJK-ZYHUDNBSSA-N 268.382 0.657 10 10 CCCE COc1ccc(N2C[C@@H]3C[C@H]2[C@H](O)[C@H]3O)cc1OC 2333692106 QPLVRQKZMDMREP-LMVZTGKYSA-N 265.309 0.634 10 10 CCCE CCCOc1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)cc1 2333689001 BCXSWOFKHOWGMH-MJBXVCDLSA-N 267.325 0.378 10 10 CCCE C[C@@H](N)C=CC(=O)N1CCc2cc(O)c(O)cc2C1 2341149735 IZDJICUGNJRUKG-SECBINFHSA-N 262.309 0.886 10 10 CCCE C[C@H](C(=O)O)C(=O)N1CCc2cc(O)c(O)cc2C1 2341151504 ZQJGPEZTRALXEI-ZETCQYMHSA-N 265.265 0.703 10 10 CCCE C[C@H]1C(=O)NCCN1Cc1cc([N+](=O)[O-])ccc1O 173296817 UKZKBUDYTVVURT-QMMMGPOBSA-N 265.269 0.621 10 10 CCCE O=C(N[C@H]1CCN[C@@H]2CC[C@H]12)c1cc(O)c(O)c(O)c1 2356974696 AIIPEXXPBCMFQL-AEJSXWLSSA-N 278.308 0.674 10 10 CCCE CNC(=O)[C@H]1CCCCN1CC(=O)Nc1ccc(N)cc1 42408168 UBJMSVANMSLOKV-CYBMUJFWSA-N 290.367 0.808 10 10 CCCE COc1cc(Cl)cc(CNC[C@@H](O)CO)c1O 229052937 QFSMGGCBIOBNNM-SECBINFHSA-N 261.705 0.497 10 10 CCCE CNC(=O)[C@H]1CCCN1[C@H](C)C(=O)Nc1ccc(N)cc1 42391015 NTSMPPZUENNIBR-ZWNOBZJWSA-N 290.367 0.806 10 10 CCCE C[C@@H]1CCN(C(=O)c2ccc(O)c(O)c2)C[C@H]1N 235318370 MWPXMVZXXDGYNW-PSASIEDQSA-N 250.298 0.907 10 10 CCCE C[C@@H](NCc1ccc(O)c(O)c1O)c1nnc[nH]1 230419890 BPCIZCKLFQAZDB-ZCFIWIBFSA-N 250.258 0.772 10 10 CCCE O=C(NC[C@@H]1CC[C@H](O)C1)c1ccc(O)c(O)c1 236563310 RIIMIARIAGPDAO-SCZZXKLOSA-N 251.282 0.989 10 10 CCCE Nc1ccc(NC(=S)NCCCNC=O)cc1 243832694 QZRMZOAVBMLJQA-UHFFFAOYSA-N 252.343 0.691 10 10 CCCE C[C@@H]1OCC[C@H]1S(=O)(=O)NCc1ccccc1O 276024610 LBBITGDPYZNANO-JOYOIKCWSA-N 271.338 0.989 10 10 CCCE N[C@@H]1C[C@H](C(=O)NCCc2ccc(O)c(O)c2)[C@@H]2C[C@H]12 2166206860 YDRIPBCRNSQQRW-NOOOWODRSA-N 276.336 0.740 10 10 CCCE CN[C@@H](C)c1ccc(N2CC(CC(N)=O)C2)cc1O 723173228 GNXUVKGZPOPKJU-VIFPVBQESA-N 263.341 0.984 10 10 CCCE CN(C)c1ccc([C@@H](N)C2(O)CCS(=O)(=O)CC2)cc1 2163126088 GNYSJTWCFZNMEX-CYBMUJFWSA-N 298.408 0.692 10 10 CCCE CC(=O)C(=O)COC(=O)c1cnn(CC(C)C)c1 808535272 FRGJDJWPZIYADQ-UHFFFAOYSA-N 252.270 0.854 10 10 CCCE C[C@@](O)(C(=O)O)[C@H](N)c1cc(Br)ccc1O 713758994 GWXBJNAFTNPYJU-SCZZXKLOSA-N 290.113 0.990 10 10 CCCE CCNC(=O)CN(C)c1cc2c(cc1Cl)[C@@H](N)C(=O)N2 723170544 HEALHHVWTGIGPZ-GFCCVEGCSA-N 296.758 0.864 10 10 CCCE CC[C@](C)(NC(=O)c1cc(O)c(O)c(O)c1)C(N)=O 2132349799 HMETUYOILBMGSX-LBPRGKRZSA-N 268.269 0.187 10 10 CCCE CC[C@H](CN(C)C)NC(=O)c1cc(O)c(O)c(O)c1 2132406596 JELMOOMOKWGVSH-SECBINFHSA-N 268.313 0.873 10 10 CCCE CC(C)[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(N)=O 588406380 FYKRBBDZYVWAIU-AGLBCWCQSA-N 278.308 0.737 10 10 CCCE CC[C@@H](C(=O)NCc1ccc(O)cc1O)C(=O)OC 910947359 FAWFGMPMMFFIEM-JTQLQIEISA-N 267.281 0.913 10 10 CCCE N=C(N)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 848995545 PVXSDJPICXKLGC-NSHDSACASA-N 275.356 0.371 10 10 CCCE O=C1C[C@@H](CCNC(=O)NCc2c(O)cccc2F)CN1 926992553 CHZTZZHOPVGJNM-SECBINFHSA-N 295.314 0.857 10 10 CCCE CN1C(=O)[C@@H](O)c2ccc(N3CC4(COC4)C3)cc21 697079626 IYVZKMSNTASPNP-LBPRGKRZSA-N 260.293 0.533 10 10 CCCE Nc1ccc(OCC(=O)NC[C@H](F)C2CNC2)cc1 1876429802 NCBNPURGVQVEIQ-LBPRGKRZSA-N 267.304 0.321 10 10 CCCE Cn1cc(N)c(C(=O)NCCc2ccc(N)cc2)n1 1876511937 XAFSCVMWFUWGTG-UHFFFAOYSA-N 259.313 0.557 10 10 CCCE Cn1cc(C[C@@H](O)C(=O)NCc2ccccc2O)cn1 787131070 GKEIZCGQVPJUPW-CYBMUJFWSA-N 275.308 0.346 10 10 CCCE COc1ccc2c(c1O)[C@@H](C[C@@H](O)C(=O)O)NCC2 83708355 GDGZVFURMAYWNH-RKDXNWHRSA-N 267.281 0.423 10 10 CCCE COCCOC[C@H]1NCCc2cc(O)c(O)cc21 83725155 BDGSBUHJWQYAGC-LLVKDONJSA-N 253.298 0.948 10 10 CCCE CN(c1ccc2c(c1)NC(=O)[C@@H]2N)[C@@H]1CCC[C@@H]1O 709477153 WEUMQKWEVJXTJM-FRRDWIJNSA-N 261.325 0.988 10 10 CCCE C[C@]1(O)CCN(CCOc2ccc(N)cc2)C[C@H]1O 1893318196 MHGQFVSOAUDMEP-KGLIPLIRSA-N 266.341 0.465 10 10 CCCE CC12CN(C(=O)c3cc(O)nc(O)c3)C(C(=O)O)(C1)C2 688694162 OHRFHRTVMXNLEY-UHFFFAOYSA-N 278.264 0.572 10 10 CCCE CO[C@@H]1CN(Cc2ccc(O)cc2O)C[C@@H]1C(=O)O 690173570 NSUHPCVALWPPMZ-CMPLNLGQSA-N 267.281 0.629 10 10 CCCE O=C1NCC[C@H]1NCc1cc2c(cc1O)OCO2 693941433 XVEDJURUUMNTSY-MRVPVSSYSA-N 250.254 0.099 10 10 CCCE Oc1ccccc1CN1CC(O)(C2CCNCC2)C1 2120422911 JCAULGGXEAMEHI-UHFFFAOYSA-N 262.353 0.939 10 10 CCCE O=C(O)[C@H]1CN(C(=O)c2cccc(O)c2O)C[C@H]1F 2120647193 XBZPWENBKWGSGY-JGVFFNPUSA-N 269.228 0.593 10 10 CCCE Nc1ccc(O)c(CN2CC[C@]3(CNC(=O)N3)C2)c1 2121199506 UCFQDLOSMMYNIW-ZDUSSCGKSA-N 262.313 0.232 10 10 CCCE Cc1ccc(O)c([C@@H](C)NCC(CO)(CO)CO)c1 2123234159 MIQAKFZOZDIJCA-LLVKDONJSA-N 269.341 0.315 10 10 CCCE CCCN(CC(N)=O)C(=O)Cc1ccc(O)c(O)c1 1641586003 UEOYNPAPPAHYOT-UHFFFAOYSA-N 266.297 0.364 10 10 CCCE CN(C)C(=O)/C=C\C(=O)NCc1c(O)cccc1O 1647289426 CXLYQZINEZPNQI-SREVYHEPSA-N 264.281 0.358 10 10 CCCE CCn1nncc1C(=O)NCc1c(O)cccc1O 1652626239 TYIOQORYBVRTLT-UHFFFAOYSA-N 262.269 0.639 10 10 CCCE CCN=c1nncc(NCCc2ccc(N)cc2)[nH]1 2127965631 FSZNTNXYSHZDLK-UHFFFAOYSA-N 258.329 0.962 10 10 CCCE CN(C)C1CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1 1866303346 RFDHFFBXFRRHID-UHFFFAOYSA-N 280.324 0.970 10 10 CCCE C[C@@H]1C(=O)NC(=O)CN1c1ccc2c(c1)CC[C@@H]2O 2128316344 DIAUCMRAARHDCJ-PELKAZGASA-N 260.293 0.518 10 10 CCCE Nc1ccc(O)c(CN2[C@H]3CC[C@H]2[C@@H](O)[C@@H](O)C3)c1 2133908576 IEHGJSOTBHHWFF-AUZPSNTRSA-N 264.325 0.433 10 10 CCCE NCCC(CCN)NC(=O)CCc1ccc(N)cc1 2140778402 PIGOMOYNKQKERM-UHFFFAOYSA-N 264.373 0.384 10 10 CCCE Cc1cccc(CNC(=O)[C@@]2(C)CNC(=O)C2)c1O 2139761333 GTSPWOXFMGPTAD-CQSZACIVSA-N 262.309 0.843 10 10 CCCE CN1CCN[C@@H](c2ccc(N3CCOCC3)cc2)C1=O 1951909841 VEUPREKTQXFVIG-AWEZNQCLSA-N 275.352 0.626 10 10 CCCE NC(=O)[C@@H]1CCC[C@@H]1NC(=O)Cc1ccc(N)cc1 1970118135 IITCBYAYWKCRRH-NEPJUHHUSA-N 261.325 0.582 10 10 CCCE CCCN(Cc1ccccc1O)[C@H]1CS(=O)(=O)C[C@@H]1O 2143455094 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54110458 QMZIJLIZJWUWEP-UHFFFAOYSA-N 263.341 0.860 10 10 CCCE Oc1ccc(CNCCO[C@H]2CCOC2)c(O)c1 2027287029 NMRDIOVMDBNLIP-LBPRGKRZSA-N 253.298 0.993 10 10 CCCE C[C@@H]1NCC[C@H]1NC(=O)Cc1ccc(O)c(O)c1 2027481013 LXGQZZBPWOUHFM-WCBMZHEXSA-N 250.298 0.507 10 10 CCCE C[C@@H]1CN(c2ccc(N)cc2)C[C@H]1CS(N)(=O)=O 2027788121 BHDJVQLVAISBGL-ZJUUUORDSA-N 269.370 0.630 10 10 CCCE NC(=O)[C@@H]1CCN1c1ccc(CO)cc1[N+](=O)[O-] 2028928961 BEKHNTDNUOQKER-VIFPVBQESA-N 251.242 0.151 10 10 CCCE Cc1cc(CO)ccc1N1CCCC1(CO)CO 2029385828 YAVNGOSUBHIHSC-UHFFFAOYSA-N 251.326 0.811 10 10 CCCE Cc1cc(N2CCCC2(CO)CO)ccc1CN 2029372765 KYMJLEIIFPKUER-UHFFFAOYSA-N 250.342 0.777 10 10 CCCE NCCC1CC(NC(=O)c2cccc(O)c2O)C1 2029499906 FKDDAQYFJKNDIZ-UHFFFAOYSA-N 250.298 0.955 10 10 CCCE COC(=O)NS(=O)(=O)N1CCC[C@@H](N=[N+]=[N-])C1 403652761 IMUBDTVPPULSBC-ZCFIWIBFSA-N 263.279 0.362 10 10 CCCE C[C@@H](N)c1ccc(N2CCN3C[C@@H](O)C[C@@H]3C2)cc1 405320453 RFFUEQWOFQHDET-DFBGVHRSSA-N 261.369 0.962 10 10 CCCE Nc1ccc(CCNC(=O)[C@H]2CC[C@H](C(=O)O)O2)cc1 313460678 CYZVGBWUCOVEOB-VXGBXAGGSA-N 278.308 0.560 10 10 CCCE Nc1ccc(CCC(=O)NC[C@@H]2C[C@H](CO)CO2)cc1 2157548874 VUZVXNKOZXQOTL-OCCSQVGLSA-N 278.352 0.715 10 10 CCCE COc1cccc(O)c1CN1C[C@H](OC)[C@H](C(=O)O)C1 2160711248 CFYWYIFZAMLHKR-MFKMUULPSA-N 281.308 0.932 10 10 CCCE CNC(=O)OCCNC(=O)CCOc1ccc(N)cc1 2161179076 FLANJORKYRGEKA-UHFFFAOYSA-N 281.312 0.510 10 10 CCCE C[C@@H]1[C@H]2CC[C@@H](C[C@]1(NCCN=[N+]=[N-])C(=O)O)N2 686156627 OKBJQISCLYJQIA-PKIKSRDPSA-N 253.306 0.870 10 10 CCCE CCNC1CC(NC(=O)c2cc(O)nc(O)c2)C1 721631668 KZVVDUVYWMMHKX-UHFFFAOYSA-N 251.286 0.363 10 10 CCCE NCc1ccc(N2CC[C@@H](NC(N)=O)C2)c(F)c1 690783994 LIBFFNQIKZKSEO-SECBINFHSA-N 252.293 0.531 10 10 CCCE CN[C@@H](C)c1ccc(N2CC(O)(C(=O)OC)C2)c(F)c1 714427217 QAIGFYORQZRSLB-VIFPVBQESA-N 282.315 0.830 10 10 CCCE CN1C(=O)[C@@H](O)c2ccc(N3CC(O)(C(F)F)C3)cc21 2172113807 GSGZSIMDGHJLEU-JTQLQIEISA-N 284.262 0.513 10 10 CCCE CN1CC[C@@H](C(=O)Nc2ccc(O)c(O)c2)C1=O 2062253152 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[N-]=[N+]=NCCCCN1CC[C@@H]2OCC(=O)N[C@H]2C1 2065719524 BYIUIONLAVTANG-UWVGGRQHSA-N 253.306 0.666 10 10 CCCE CN1C[C@H]2CC[C@H]1CN2c1ccc2c(c1)NC(=O)[C@H]2O 2186699989 OLIWTORPMYWHHX-WDMOLILDSA-N 273.336 0.955 10 10 CCCE CN1CCO[C@@H](C(=O)N2CC[C@H](CN=[N+]=[N-])C2)C1 2067584756 YIFYEMZEPHMJAW-NXEZZACHSA-N 253.306 0.476 10 10 CCCE C[C@@H](N)c1ccc(N2CC[C@@H](O)[C@@H](O)C2)c(F)c1 2068368011 AXBVXTPMSQHQIQ-WQHBLYJGSA-N 254.305 0.777 10 10 CCCE C[C@@H](F)[C@H](NC(=O)c1cc(O)nc(O)c1)C(=O)O 2069719074 MGDRBRKPBSIQGK-VHWMUFPASA-N 258.205 0.034 10 10 CCCE COc1cc(N2C[C@H](O)C[C@H]2CO)ccc1CO 2084017640 UOIIFJWCOWAECR-NWDGAFQWSA-N 253.298 0.119 10 10 CCCE CS[C@@H]1CNC[C@@H]1NC(=O)c1ccc(O)c(O)c1 2084780110 RKNJLWOQTVVPJF-GZMMTYOYSA-N 268.338 0.531 10 10 CCCE CN1CCc2cc([C@](C)(O)[C@@H]3CNCCO3)ccc21 2106793641 PAVQXLUTJZSIQS-GJZGRUSLSA-N 262.353 0.875 10 10 CCCE Nc1ccc(CCN2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)cc1 2088817849 QBKXYTMREDCCLI-GXTWGEPZSA-N 280.393 0.930 10 10 CCCE Nc1ccc(CC(=O)NC[C@H](O)CCC(=O)O)cc1 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CN[C@@H](C)c1ccc(N2CC[C@@](O)(C(N)=O)C2)c(C)c1 2240845683 GGLAEQHGIXTXTN-NHYWBVRUSA-N 277.368 0.702 10 10 CCCE Cc1cc(N2CC[C@@H](O)[C@@H](O)C2)ccc1[C@@H](C)N 2257457367 KEOODFDGGBLKPJ-HONMWMINSA-N 250.342 0.947 10 10 CCCE COc1cc(Cl)cc(CN(C)CC2(O)CNC2)c1O 2271701117 BIKXEYIGNRTQEM-UHFFFAOYSA-N 286.759 0.820 10 10 CCCE CC(C)C[C@@H](NC(=O)COc1ccc(N)cc1)C(N)=O 2279125314 QYXQSRWFQBENOW-GFCCVEGCSA-N 279.340 0.664 10 10 CCCE Cc1cc(N2CCOC[C@@H]2C(N)=O)ccc1[C@H](C)O 2269680233 YHCGWAKZPNBRSW-GXFFZTMASA-N 264.325 0.739 10 10 CCCE O=C(O)[C@@]12CO[C@@H](C1)[C@@H](NCc1ccc(O)cc1O)C2 2280797831 DASOWOVWVIQVSB-VHRBIJSZSA-N 279.292 0.820 10 10 CCCE CS(=O)(=O)C1CC(C(=O)NCc2cc(N)ccc2O)C1 2285284535 CENWZUIHGLWEQH-UHFFFAOYSA-N 298.364 0.414 10 10 CCCE C[C@@H](NN(C)S(C)(=O)=O)c1ccc(O)cc1O 2301551496 CNIKEHLUUHGVPT-SSDOTTSWSA-N 260.315 0.555 10 10 CCCE COc1ccc(N2C[C@@H]3C[C@H]2[C@H](O)[C@H]3O)c(CO)c1 2333717954 FAUYVPSEJRFSJM-GZBPVQSJSA-N 265.309 0.118 10 10 CCCE Cc1cccc(CN2C(=O)[C@@H]3COC[C@@H]3C2=O)c1O 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CN[C@@H](CNC(=O)c1cccc(O)c1O)C1CC1 716785300 FKKJTQZLJKMUEG-JTQLQIEISA-N 250.298 0.826 10 10 CCCE O=C1Nc2cc(N3CCS[C@@H](CO)C3)c(F)cc2[C@H]1O 720039535 TVFLGZCYANJIDE-JMCQJSRRSA-N 298.339 0.725 10 10 CCCE NCc1ccc(N2CC[C@@H](O)[C@H](CO)C2)c(F)c1 396902656 XREQPLGLYQFXPK-GXFFZTMASA-N 254.305 0.464 10 10 CCCE C[C@@H](C[S@](C)=O)N(C)CC(=O)Nc1ccc(N)cc1 398887520 KXUQCMZXFVKART-OVWNDWIMSA-N 283.397 0.906 10 10 CCCE C[C@@]12CN(S(=O)(=O)Cc3ccc(N)cc3)C[C@]1(CO)C2 2165463899 MERFZFKAQFNSLN-KGLIPLIRSA-N 296.392 0.803 10 10 CCCE C[C@@H]1COC[C@@H](C(=O)O)N1C(=O)Cc1ccc(N)cc1 2168313795 GGJPCLLDDPDYQB-SKDRFNHKSA-N 278.308 0.512 10 10 CCCE CNCC1CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1 2188925189 UTWDHZZHLSZQDM-UHFFFAOYSA-N 280.324 0.875 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CCNCCC12CC2 2188924860 RCAATDVXKPAOFI-UHFFFAOYSA-N 278.308 0.772 10 10 CCCE Nc1ccc(OCCC(=O)N[C@H]2CC[C@H]2O)cc1 2043152564 AWVYUMQPAIWARY-NWDGAFQWSA-N 250.298 0.677 10 10 CCCE O=C1[C@H]2C[C@@H](CN1Cc1ccccc1O)S2(=O)=O 218280121 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COCCN(C(=O)c1cccc(O)c1O)C1CNC1 2103921663 SIWLCFWHVLOBNY-UHFFFAOYSA-N 266.297 0.158 10 10 CCCE NC(=O)[C@@H]1C[C@@H](N)CN(c2ccc3c(c2)CCC3)C1 2106381659 FXKLOBSVVRYJKZ-CHWSQXEVSA-N 259.353 0.814 10 10 CCCE O=C(c1cccc(O)c1O)N1C[C@@H]2C[C@H](C[C@H]2O)C1 2107286577 RSEVTCIUWJXQRH-VDDIYKPWSA-N 263.293 0.941 10 10 CCCE CCS(=O)(=O)NC1CN(c2ccc(CN)cc2C)C1 2109344037 AJAHQGBROZICDP-UHFFFAOYSA-N 283.397 0.582 10 10 CCCE Cc1cc(CN)ccc1N1CCOC[C@H]1[C@H](O)CO 2090135366 GCTJTSIFTIJYLD-UONOGXRCSA-N 266.341 0.012 10 10 CCCE C[C@H]1[C@H](NCCc2ccc(O)c(O)c2)CCS1(=O)=O 2091754411 LGPOWJIFZIDSBB-GXSJLCMTSA-N 285.365 0.806 10 10 CCCE CC(C)S(=O)(=O)C[C@](C)(O)[C@H](N)c1ccccc1O 2114133159 GAAWJRHPROUWID-OLZOCXBDSA-N 287.381 0.966 10 10 CCCE C[C@H]1OC2(C(=O)NCc3ccccc3O)CC1(N)C2 2266049161 KUVZBKFOUXTSEH-BZFQTPOWSA-N 262.309 0.657 10 10 CCCE CNCc1ccc(N(CCO)CCN(C)C)cc1OC 2204544935 IMUVJTDYRXSWJP-UHFFFAOYSA-N 281.400 0.775 10 10 CCCE CCC[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)C[C@@H]1CO 2205723940 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0.316 10 10 CCCE NC(=O)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 207468644 FYWHYVQSYQGKMK-UHFFFAOYSA-N 294.266 0.886 10 10 CCCE C[C@@H]1CCN(c2ccc3c(c2)OCO3)C[C@@H](CO)N1 251670841 LNOBHYYCKIWXCQ-MNOVXSKESA-N 264.325 0.964 10 10 CCCE OC[C@]1(O)CCN(c2ccc3c(c2)CCC[C@@H]3O)C1 2128273899 MPVOAESSAAQGCU-GJZGRUSLSA-N 263.337 0.990 10 10 CCCE CN(C(=O)CN1C[C@@H]2COC[C@H]21)c1ccc(N)cc1 2129807664 FZXAKGHNOQRZTB-ZWNOBZJWSA-N 261.325 0.562 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2)C1 1912169059 YWIUMGDSBYQXNT-BDAKNGLRSA-N 251.290 0.814 10 10 CCCE COC(=O)NS(=O)(=O)N1CCC[C@@H](CN=[N+]=[N-])C1 1912172362 DLQBHNGKMHFDAO-ZETCQYMHSA-N 277.306 0.610 10 10 CCCE [N-]=[N+]=NC1CN(S(=O)(=O)c2cncc(F)c2)C1 1912166321 VUCBTILXDNDVRS-UHFFFAOYSA-N 257.250 0.904 10 10 CCCE CC1(C(N)=O)CN(CCCOc2ccc(N)cc2)C1 1914211366 APRJFDXHVVOEAS-UHFFFAOYSA-N 263.341 0.845 10 10 CCCE C[S@](=O)(CCN)=NC(=O)c1cccc(O)c1O 1924682557 KVFQKBZFKCQBIY-KRWDZBQOSA-N 258.299 0.295 10 10 CCCE O=C([C@@H]1CNc2ccccc2N1)N1CCOC[C@H]1CO 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C[C@H]1CCNC(=O)[C@@H]1CNC(=O)c1cccc(O)c1O 1972509720 VCZXLHBSJNGQIX-WCBMZHEXSA-N 278.308 0.600 10 10 CCCE Oc1cccc(F)c1CN[C@@H]1C[C@H]2C[C@H]1[C@H](O)[C@H]2O 1974159464 YMNKJMKVJGDACJ-XSMGVEEHSA-N 267.300 0.751 10 10 CCCE Cc1ccc(O)c(CN[C@@H]2C[C@H]3C[C@H]2[C@H](O)[C@H]3O)c1 1974156879 JBVBWBFVAKSNTK-SLTBLMCHSA-N 263.337 0.920 10 10 CCCE Nc1ccc(CC(=O)N2CC[C@H]3CC(=O)N[C@H]3C2)cc1 2145058795 WHCPYPGAGFXQRO-AAEUAGOBSA-N 273.336 0.548 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)[C@H]1CNCC1(F)F 2148022841 VXEUQBJFOMTMNK-SECBINFHSA-N 286.278 0.611 10 10 CCCE CNCc1ccc(N(C)CC(=O)NCCOC)c(F)c1 42438334 WRGANAUEJSCHGC-UHFFFAOYSA-N 283.347 0.744 10 10 CCCE COCCNC(=O)CN(C)c1ccc(CN)cc1F 42427040 KZGQKJYTUTXESQ-UHFFFAOYSA-N 269.320 0.483 10 10 CCCE CCN1CCO[C@@H](CNCc2ccc(O)c(O)c2)C1 165905565 JUHGJLGCWJAEEC-LBPRGKRZSA-N 266.341 0.908 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@H]2CCNC2)cc1 2016965731 DBLGKRCANAIVRI-NSHDSACASA-N 255.343 0.050 10 10 CCCE COc1ccc(O)c(CN[C@H]2CN(C)C[C@@H]2O)c1 2029865842 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CNCc1ccc(OC)c(CN2C(=O)COC2=O)c1 709024564 RRFJOQWSXOUSTK-UHFFFAOYSA-N 264.281 0.893 10 10 CCCE Nc1ccc(CCC(=O)N[C@H]2COCC[C@@H]2O)cc1 710859915 VLNNYISHTQPEQO-STQMWFEESA-N 264.325 0.467 10 10 CCCE CCNC(=O)[C@@H]1CNCCN1c1ccc(OC)c(F)c1 2162647696 SADJDGHTNBTQSO-LBPRGKRZSA-N 281.331 0.749 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N3C[C@H]4C[C@H]3C[C@@H]4O)cc21 2172094352 SLXWVSULVHIUQP-WNIABHAQSA-N 273.336 0.622 10 10 CCCE CC(C)CN=c1[nH]c(Cc2ccc(N)cc2)nc(=N)[nH]1 383870889 VWWHNARKOPEIET-UHFFFAOYSA-N 272.356 0.947 10 10 CCCE CN1C(=O)[C@@H](O)c2ccc(N3C[C@H]4C[C@H]3C[C@@H]4O)cc21 2172054830 BUFLJLLBCVELFW-WNIABHAQSA-N 274.320 0.656 10 10 CCCE C[C@@H]1C[C@H](O)CN1C[C@H](O)COc1ccc(N)cc1 385153520 QALIJSZVGGOGNY-WXHSDQCUSA-N 266.341 0.464 10 10 CCCE NC[C@H]1CSCCN1C(=O)c1cccc(O)c1O 387975680 NKYGCKIQORDYMQ-QMMMGPOBSA-N 268.338 0.614 10 10 CCCE O=C1NC[C@@H]2CC[C@@H]1N2c1ccc2c(c1)NC(=O)[C@@H]2O 2172389084 VOELOAOBYRQKAC-KPXOXKRLSA-N 273.292 0.139 10 10 CCCE COc1cccc(CN2CCC(O)(CN)CC2)c1O 397501444 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Nc1ccc(NC(=O)CN2CC[C@H](O)[C@H](F)C2)cc1 2088309092 REGDONYHJIPXSQ-NEPJUHHUSA-N 267.304 0.612 10 10 CCCE CO[C@@H]1C[C@@H](O)CN(C(=O)c2cccc(O)c2O)C1 2109027231 HQKXIYJXHUUDDO-RKDXNWHRSA-N 267.281 0.320 10 10 CCCE NCc1ccc(N2CC[C@H](OCC(N)=O)C2)cc1Cl 2089132389 BLTMBRNUDBLLPI-NSHDSACASA-N 283.759 0.879 10 10 CCCE C[C@@](O)(CO)COc1ccc(N2CCNCC2)cc1 2111784809 MHELFTZTOHVNNB-CQSZACIVSA-N 266.341 0.218 10 10 CCCE CN1CCc2cc(CN3CCOC[C@H]3CN)ccc21 2096831851 CYFRAKOMZRURJJ-CQSZACIVSA-N 261.369 0.838 10 10 CCCE NC[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2O)CCO1 2097945482 KVWWCOIOQCOYHQ-IUCAKERBSA-N 266.297 0.334 10 10 CCCE CC1(CN)CCN(C(=O)c2cc(O)nc(O)c2)CC1 2099812984 LLQKOQPGEAFSHV-UHFFFAOYSA-N 265.313 0.694 10 10 CCCE [N-]=[N+]=N[C@@H]1CCC[C@H]1NS(=O)(=O)c1nc[nH]n1 2213582161 FITJSYAAZTYLSS-PHDIDXHHSA-N 257.279 0.314 10 10 CCCE CS(=O)(=O)CNC(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-] 2213584581 FQCLVLGJPHNDLC-BQBZGAKWSA-N 261.307 0.519 10 10 CCCE CNC[C@@]1(O)CCCN(c2ccc(OC)cc2N)C1 2270823620 LXNTWQJNEHYNBV-AWEZNQCLSA-N 265.357 0.828 10 10 CCCE CN1[C@H](C(=O)O)CC[C@@H]1C(=O)NCCCN=[N+]=[N-] 2218739396 UPTULAMFUSNPMM-SFYZADRCSA-N 255.278 0.350 10 10 CCCE COc1ccc(N2C[C@H](O)C[C@@H](O)C2)c(CN)c1 2220415458 RKHJDDJHGFQUEI-GHMZBOCLSA-N 252.314 0.086 10 10 CCCE COC[C@@H]1[C@@H](O)[C@H](O)CN1c1ccc2c(c1)CCO2 2226749068 PWEPLKWNSRZRRL-YRGRVCCFSA-N 265.309 0.178 10 10 CCCE CN(C)c1ccc(O[C@@]2(C(=O)O)CNCCOC2)cc1 2237685454 UBGJGVUBNSHYRH-AWEZNQCLSA-N 280.324 0.575 10 10 CCCE OCc1ccc(N2C[C@H]3C[C@@H](O)[C@@H](O)C[C@H]3C2)cc1 2228688800 MTMQKPPILBFKNK-CUFDPUGPSA-N 263.337 0.747 10 10 CCCE COc1ccc(N2C[C@@H](O)[C@H](CO)C2)c2c1CCC2 2269114011 BTVLVTFPVYKAAU-IINYFYTJSA-N 263.337 0.973 10 10 CCCE C[C@H](O)CN(CCN)C(=O)CCc1ccc(N)cc1 2269813102 BOVRLSDBTRQAOQ-NSHDSACASA-N 265.357 0.370 10 10 CCCE Cc1cc([C@H](C)N)ccc1N1C[C@H](O)[C@H](O)[C@@H](CO)C1 2289399558 ARLPXYFWBOZICG-MMMKDXCPSA-N 280.368 0.165 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3C[C@@H](O)[C@H](F)C3)c(Cl)cc21 2328762322 ATSDSLKZDNYPLF-AVPPRXQKSA-N 285.706 0.811 10 10 CCCE CC[C@H](O)c1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)cc1 2332912554 AAAJWXPJCBSTJJ-RQJABVFESA-N 267.325 0.033 10 10 CCCE C[C@@H](N[C@@H]1COC[C@H]1S(C)(=O)=O)c1ccccc1O 2333366374 PCDAGIDUCVNTIT-IRUJWGPZSA-N 285.365 0.855 10 10 CCCE Cc1cnc(C)c([C@](C)(NCCN=[N+]=[N-])C(N)=O)n1 2336576293 CBDKUEVYWOZEEX-NSHDSACASA-N 263.305 0.694 10 10 CCCE CSc1cc(N2CCOC[C@@H]2C(N)=O)ccc1CN 2353859319 BFJUOJLSDVBSHN-LLVKDONJSA-N 281.381 0.558 10 10 CCCE OCc1cc(F)c(N2C[C@H]3OC[C@@H](CO)[C@H]3C2)c(F)c1 2355689998 NPMRXHCQWJHVIZ-GIPNMCIBSA-N 285.290 0.901 10 10 CCCE CCOC(=O)[C@]1(NCCN=[N+]=[N-])C[C@H](C)N(C)C1 127308070 ZGJZGVAMUPXZOJ-ONGXEEELSA-N 255.322 0.912 10 10 CCCE C[C@H](N)c1ccc(N2C[C@H](O)[C@@H](O)C2)cc1Cl 235515172 FNQFUUDUBNPMAK-QILRFPOHSA-N 256.733 0.902 10 10 CCCE C[C@H](CNC(=O)COc1ccc(N)cc1)N(C)C 40339002 HEYVGSAXQFTGQT-SNVBAGLBSA-N 251.330 0.714 10 10 CCCE O=C(N[C@@H]1CCCNCC1)c1ccc(O)c(O)c1 236566609 LRKOXSBNDILZBY-SNVBAGLBSA-N 250.298 0.970 10 10 CCCE COCc1noc([C@@H](N)Cc2ccc(O)c(O)c2)n1 49672031 ZNWMXEMLYVTQDY-QMMMGPOBSA-N 265.269 0.870 10 10 CCCE Cn1cc(S(=O)(=O)Nc2ccc(O)cc2N)cn1 236091322 OUAKTFIZRIGADK-UHFFFAOYSA-N 268.298 0.509 10 10 CCCE CNCC[C@]1(O)CN(C)c2c(OC)cc(OC)cc21 527416780 WQKZPJGSJGTBLQ-AWEZNQCLSA-N 266.341 0.951 10 10 CCCE O=C(O)[C@H](O)c1cc(Br)cc(O)c1O 258401156 KJNMEUHUDBQPKW-SSDOTTSWSA-N 263.043 0.978 10 10 CCCE N[C@@H](C(=O)O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1 250004367 DMBFVRUHLQEDKH-NOZJJQNGSA-N 278.308 0.696 10 10 CCCE CN(C[C@H]1C[C@@H](O)C1)c1cc2c(cc1N)OCC(=O)N2 703679840 VHBAZXIEWCKGOI-DTORHVGOSA-N 277.324 0.807 10 10 CCCE NC[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)CCO1 843070676 WTHYXFGBKGSZME-INIZCTEOSA-N 291.395 0.683 10 10 CCCE CC1(C(N)=O)CN(Cc2cc3c(cc2O)OCO3)C1 843415135 DMORBKMYSOQMPC-UHFFFAOYSA-N 264.281 0.428 10 10 CCCE C[C@@H](NC[C@H](O)C1(O)CCOCC1)c1ccccc1O 931555214 VGBJHCFIELATTA-RISCZKNCSA-N 281.352 0.945 10 10 CCCE COc1ccc(O)c(CNC(=O)C2CS(=O)(=O)C2)c1 866767794 XQSNDEUSSMTBLD-UHFFFAOYSA-N 285.321 0.062 10 10 CCCE CC1(C)OC[C@@H]2C[C@]21NC(=O)C(=O)Nc1ccc(N)cc1 861512197 CLZHXTQXGQHRMB-VFZGTOFNSA-N 289.335 0.891 10 10 CCCE C[C@@]1(CNC(=O)COc2ccc(N)cc2)CCCN1 1876434186 NEUJGNKJGNBSNL-AWEZNQCLSA-N 263.341 0.906 10 10 CCCE Cc1cccc(CN2C[C@H](O)C[C@H]2C(N)=O)c1O 895367656 IBHYCRXMLIVORL-MNOVXSKESA-N 250.298 0.121 10 10 CCCE C[C@H](NC(=O)[C@H]1C[C@@](O)(CN)C1)c1ccccc1O 1877588000 HPTUEJAOUXWQGF-BHDSKKPTSA-N 264.325 0.669 10 10 CCCE NC[C@@H]1[C@@H]2C[C@H]2CN1C(=O)c1cc(O)c(O)c(O)c1 1905547487 NDQOXQWLWLFIOW-DJLDLDEBSA-N 264.281 0.223 10 10 CCCE C[C@H](N)c1cc(F)c(N2CC[C@@H](O)[C@H](O)C2)c(F)c1 1880923567 IZGHZSUURREPGF-UPZJHPNMSA-N 272.295 0.916 10 10 CCCE O=C(O)[C@@H]1C[C@H](NCc2ccc(O)c(O)c2)CCO1 1880040778 HDJQINBNNKDZHF-SKDRFNHKSA-N 267.281 0.820 10 10 CCCE COc1ccc(CNC(=O)CCn2cnnn2)c(O)c1 1155573927 DFFMDJHTKULACO-UHFFFAOYSA-N 277.284 0.094 10 10 CCCE COC1CN(S(=O)(=O)Nc2ccc(O)cc2C)C1 1963455715 RURURINNZXMQCU-UHFFFAOYSA-N 272.326 0.688 10 10 CCCE NC(=O)c1nccnc1NCc1c(O)cccc1O 1164211328 BDOPJIPRBRGBDP-UHFFFAOYSA-N 260.253 0.599 10 10 CCCE CCn1nnnc1CN(C)c1ccc(CO)cc1F 1885609352 XUBKBEXOLYNUMY-UHFFFAOYSA-N 265.292 0.961 10 10 CCCE C[C@]1(O)CCN(c2ccc3c(c2)CC[C@H]3O)C[C@H]1O 1893332348 QOQGEFFCNAKONE-KFWWJZLASA-N 263.337 0.988 10 10 CCCE O=C(NC[C@@H]1C[C@@H]1C(=O)O)c1cccc(O)c1O 715297073 PWDRMNMODOUIBD-XPUUQOCRSA-N 251.238 0.548 10 10 CCCE CNC(=O)CN(CC(=O)NC)c1ccc(CO)cc1Cl 720536053 OJUJNDSCTGOTHW-UHFFFAOYSA-N 299.758 0.131 10 10 CCCE O=C(c1cccc(O)c1O)N1CCN(C2CC2)C(=O)C1 790858875 JMRFFSTUBSCAFT-UHFFFAOYSA-N 276.292 0.545 10 10 CCCE C[C@H](C(=O)Nc1ccc(N)cc1)N1CC([S@@](C)=O)C1 2115305412 HPLCQPZSBHJXQL-AYLIAGHASA-N 281.381 0.659 10 10 CCCE COCn1nccc1S(=O)(=O)N(C)CCCN=[N+]=[N-] 2117348321 DSDGGSAZJHDBMH-UHFFFAOYSA-N 288.333 0.808 10 10 CCCE NCCN(CC(F)F)C(=O)Cc1ccc(N)cc1 1964423546 RMDNOIPZAMRVHZ-UHFFFAOYSA-N 257.284 0.864 10 10 CCCE O=C(O)C(=O)N1CCN(c2ccc3c(c2)OCO3)CC1 2457496 ISYCJBSALOOUGF-UHFFFAOYSA-N 278.264 0.149 10 10 CCCE C[C@@H]1CCN(c2ccc3c(c2)OCO3)[C@@H](CO)CN1 251798321 XRQHUKPQLQYLQL-ZYHUDNBSSA-N 264.325 0.964 10 10 CCCE N[C@]1(C(=O)O)CCN(c2ccc3c(c2)OCCO3)C1 259463455 XESGTDSWJOLCEZ-CYBMUJFWSA-N 264.281 0.450 10 10 CCCE NC[C@@H](c1ccccc1O)N1CCN(CCO)CC1 32048194 GKQYCXZMFITUEQ-ZDUSSCGKSA-N 265.357 0.002 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3C[C@@H]4COC[C@@H]43)ccc21 2129812978 YKBFKWLCEGMCHH-JCOFBHIZSA-N 259.309 0.734 10 10 CCCE COC(=O)[C@@]1(NCCN=[N+]=[N-])CCS(=O)(=O)[C@H](C)C1 1912188374 OYKSENLYRJZGIA-PSASIEDQSA-N 290.345 0.395 10 10 CCCE COC[C@H](C)NC(=O)CN1CC[C@@H](CN=[N+]=[N-])C1 1912155092 FWZZQYWMHPLZPX-UWVGGRQHSA-N 255.322 0.770 10 10 CCCE COC(=O)[C@](C)(NCCCN=[N+]=[N-])[C@H]1CCNC1 1912161809 NUJODOAULODFGN-GXSJLCMTSA-N 255.322 0.818 10 10 CCCE CN(CCN=[N+]=[N-])C(=O)[C@@H]1CCCN1S(C)(=O)=O 1912190005 XVZGWLVSZXXCKK-QMMMGPOBSA-N 275.334 0.179 10 10 CCCE Cc1cc(CO)ccc1N1[C@H]2CC[C@H]1[C@H](O)[C@H](O)C2 2133918668 FSCALHLXDZZHIL-MHEUCROKSA-N 263.337 0.950 10 10 CCCE CN[C@H](C)c1ccc(N2CC(CO)(CO)C2)cc1O 1914967758 CEHZCGJBOUSYDO-SNVBAGLBSA-N 266.341 0.464 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N3CC4(CCOC4)C3)cc21 1915830914 DSQIFUCHNJDLNF-ZDUSSCGKSA-N 273.336 0.890 10 10 CCCE CN(C)CCCN(C)S(=O)(=O)Cc1ccc(N)cc1 111131075 PSQBVRHRWSMLCA-UHFFFAOYSA-N 285.413 0.982 10 10 CCCE COC[C@@H](C)OC[C@H](O)CN(C)c1ccc(CN)cc1 1967635841 QFAVECZUIHHKHX-IUODEOHRSA-N 282.384 0.994 10 10 CCCE C[C@H](N)c1ccc(N2C[C@H](O)[C@H](O)[C@H]2CO)cc1Cl 2136340480 XGLGDCVECOILQQ-GUQKDYTMSA-N 286.759 0.262 10 10 CCCE CNCc1ccc(N2CCOC[C@H]2C(N)=O)cc1Cl 234452700 SCVBZWGBAOXFDC-LBPRGKRZSA-N 283.759 0.750 10 10 CCCE COCCNCc1ccc(N2C[C@H](O)[C@H](O)C2)c(C)c1 234699874 HTWWGRWEEVDLEV-GASCZTMLSA-N 280.368 0.273 10 10 CCCE CN(C[C@@H]1CCS(=O)(=O)N1)c1ccc(N)cc1 1942334107 YKJGNBANPSFHMV-JTQLQIEISA-N 255.343 0.397 10 10 CCCE CCN(CC)c1ccc([C@H](N)[C@H](O)C(=O)O)c(O)c1 1952135280 JWOGYWQVZOJRLT-RYUDHWBXSA-N 268.313 0.684 10 10 CCCE COC(=O)[C@@H]1C[C@]1(N)c1ccc(O)c(CN(C)C)c1 1952950295 HZOMOIMBACCPKE-FZMZJTMJSA-N 264.325 0.801 10 10 CCCE CS(=O)(=O)C[C@@H]1CCN(C(=O)c2ccc(O)c(O)c2)C1 2143696705 DCQKTXPFGQXSLZ-SECBINFHSA-N 299.348 0.605 10 10 CCCE Nc1ccc(CC(=O)N[C@@H]2CCO[C@]23CCOC3)cc1 2144689695 MEFWLQXFPPRYNV-HIFRSBDPSA-N 276.336 0.876 10 10 CCCE Nc1ccc(O)c(CN2C[C@@H]3CCCS(=O)(=O)[C@H]3C2)c1 2145063745 IKOXPXIBQCXGMT-HZMBPMFUSA-N 296.392 0.983 10 10 CCCE Cc1cc(CO)ccc1N1CC[C@H]2C(=O)NC(=O)[C@H]2C1 2158789703 OBLOGSXGPZHCON-NEPJUHHUSA-N 274.320 0.586 10 10 CCCE C[C@H]1NC(=O)CC[C@@H]1NC(=O)c1cccc(O)c1O 282273566 UUPVBGSITHFGAN-APPZFPTMSA-N 264.281 0.495 10 10 CCCE O=C1Nc2cc(N3CC[C@@H]3CO)c(Cl)cc2[C@@H]1O 2031674301 BJNIEQRQNLSSHO-KBUNVGBDSA-N 268.700 0.897 10 10 CCCE C[C@@H](N)c1ccc(N(C)CC(CO)CO)c(F)c1 2033017264 DSNFLGXGHRONKZ-SECBINFHSA-N 256.321 0.882 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)Nc1ccon1 61684353 PXIHTWSJXXIQSX-QMMMGPOBSA-N 263.253 0.594 10 10 CCCE NCc1ccc(N2CC[C@@H]3C(=O)NC[C@@H]3C2)c(F)c1F 2157185095 PVGGBEWETSRRNT-ZJUUUORDSA-N 281.306 0.996 10 10 CCCE Nc1cc2c(cc1N1CC[C@](O)(CO)C1)CCC(=O)N2 313661260 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CSCCN1C(=O)N[C@H](Cc2ccc(O)c(O)c2)C1=O 2182298311 LQAQPFQTIVCMLT-SECBINFHSA-N 296.348 0.924 10 10 CCCE Cc1cc(CNC(=O)c2cc(O)c(O)c(O)c2)ncn1 2188926221 YDAWMNSTDCARFM-UHFFFAOYSA-N 275.264 0.832 10 10 CCCE CN1C(=O)NCC12CN(c1ccc3c(c1)CC[C@H]3O)C2 2184733750 KVSQVCNZILRPPJ-CYBMUJFWSA-N 273.336 0.880 10 10 CCCE Nc1ccc(CCN2CC[C@@H](OCCO)C2)cc1 2046762876 YRXXZPABGQWTDE-CQSZACIVSA-N 250.342 0.895 10 10 CCCE OC[C@@]1(NCc2ccc(O)c(O)c2)C[C@H](O)C12CCC2 2193970020 MSEZTHCZKTWMHP-ZFWWWQNUSA-N 279.336 0.853 10 10 CCCE Cn1nnnc1CCNCc1ccc(Cl)cc1O 2055720239 BLIQNLLIQFUPDT-UHFFFAOYSA-N 267.720 0.901 10 10 CCCE CN[C@H](c1ccc(N(C)C)cc1)[C@H](O)c1ncn(C)n1 2190733587 NBHUETAXSVFGAR-OLZOCXBDSA-N 275.356 0.875 10 10 CCCE CN[C@H](C)c1ccc(N2C[C@H]3C[C@H]2[C@H](O)[C@@H]3O)cc1 2104423879 LTOUUONLLXERMU-PHCVXZPVSA-N 262.353 0.897 10 10 CCCE CO[C@H](C(=O)[C@H]1CCCC(=O)C1=O)[C@@H]1CCCO1 2057354678 RESCZHCQEYHKPO-FWDPORAESA-N 254.282 0.688 10 10 CCCE C[C@@H](O)c1ccc(N2CCN3CCOC[C@@H]3C2)cc1O 2185876286 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Cc1cccc(O)c1CN1C[C@H](O)C[C@@H]1C(=O)O 2080554036 JSPRTGNPKUKJKG-MWLCHTKSSA-N 251.282 0.720 10 10 CCCE Cc1cccc(O)c1CN(CC(N)=O)CC(=O)O 2081017796 PQAOFNIEWFXGNL-UHFFFAOYSA-N 252.270 0.073 10 10 CCCE OCc1ccc(N2CC[C@H](N3CC(O)C3)C2)c(F)c1 2102519434 GRSPLFBRJWHTFU-NSHDSACASA-N 266.316 0.573 10 10 CCCE C[C@H](NC(=O)OCc1ccc(N)cc1)S(C)(=O)=O 2082964786 XIBQNOLEKJQBLO-MRVPVSSYSA-N 272.326 0.886 10 10 CCCE O=C(O)[C@H]1C=CCN(C(=O)c2cc(O)nc(O)c2)C1 2103552354 HEUPTORBRULDKN-ZETCQYMHSA-N 264.237 0.206 10 10 CCCE CN(Cc1ccc(F)cc1O)C[C@H]1COCCN1 2084071870 LQSXWVJYBDCFTJ-LBPRGKRZSA-N 254.305 0.952 10 10 CCCE CC[C@@H](N)c1ccc(N2CC(OC)(C(N)=O)C2)cc1 2104900787 QGFHBUFEFOJTRU-GFCCVEGCSA-N 263.341 0.787 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NCC(F)(F)C(=O)O 2087723948 ASAVWHWUUFYDMP-UHFFFAOYSA-N 275.207 0.476 10 10 CCCE CNC(=O)[C@H]1[C@H](C)CCN1Cc1cc(N)ccc1O 2090259331 PJRRWFFJYSGJSQ-NOZJJQNGSA-N 263.341 0.931 10 10 CCCE CN1CCN(CC(=O)Nc2ccc(N)cc2)[C@H]2C[C@@H]21 2112083732 SBSGVWVAUVOLCA-STQMWFEESA-N 260.341 0.596 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC[C@@H]2[C@@H](CO)[C@@H]2C1 2093156642 VKEYMKJIYFORCM-IVZWLZJFSA-N 264.281 0.193 10 10 CCCE CC1(C)C[C@H](CO)N(C(=O)c2cc(O)nc(O)c2)C1 2094745162 XACIAJUAOVBJRH-SECBINFHSA-N 266.297 0.726 10 10 CCCE CC[C@H](NC)c1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CO)cc1 2201031845 BWGXLBUHXTZTEF-XGUBFFRZSA-N 280.368 0.260 10 10 CCCE CCN(c1ccc(N)cc1)[C@H]1CC(CO)(CO)C[C@H]1O 2206363444 XKXALYAAWDRYHA-UONOGXRCSA-N 280.368 0.589 10 10 CCCE O=C(N[C@@H]1C[C@H]2CO[C@H]1C2)c1cc(O)c(O)c(O)c1 2270746219 LGRUGCFHNOREDA-HLEGCSNESA-N 265.265 0.711 10 10 CCCE COc1ccc(N2C[C@H](O)C[C@@H](O)C2)c(F)c1F 2219767963 ZRKMXXOZHFKORB-HTQZYQBOSA-N 259.252 0.905 10 10 CCCE COc1ccc(N2CC(CO)(OC)C2)c(C=O)c1 2220422340 YAZDUZVSOKMUCS-UHFFFAOYSA-N 251.282 0.705 10 10 CCCE Cc1cc([C@H](C)O)ccc1N1CC(OCC(N)=O)C1 2232102058 GNOGLUFGOICTBG-JTQLQIEISA-N 264.325 0.739 10 10 CCCE COc1cc(C(=O)N[C@@H]2CNC[C@@H](F)C2)cc(OC)n1 2234651652 QCWOAOVFNAIXJB-UWVGGRQHSA-N 283.303 0.529 10 10 CCCE COc1ccc(N2CCN3C[C@H](O)C[C@H]3C2)c(OC)c1 2235125518 XGTRGSKILRZHEV-NWDGAFQWSA-N 278.352 0.959 10 10 CCCE COc1ccc(N2C[C@H](O)[C@@H]3COC[C@H]32)c(C=O)c1 2227688465 QROOUSREBWRGPZ-BNOWGMLFSA-N 263.293 0.704 10 10 CCCE C[C@@H](NCC1(O)CS(=O)(=O)C1)c1ccccc1O 2256071953 CPWBKUBYMICCTG-SECBINFHSA-N 271.338 0.202 10 10 CCCE Cc1cc(N2C[C@@H](O)C[C@H](O)C2)ccc1[C@H](C)O 2257465594 PKCLKMNDQXTUIF-DRZSPHRISA-N 251.326 0.980 10 10 CCCE CSc1ncc(CNC(=O)[C@@H]2[C@H]3CNC[C@H]32)s1 2248614058 WSBYWSJJIOMSDY-BRPSZJMVSA-N 269.395 0.947 10 10 CCCE C[C@@]1(CO)C=CCCN1C(=O)c1cc(O)nc(O)c1 2264388512 WKBMNMFDTLZLKR-ZDUSSCGKSA-N 264.281 0.646 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CCn3cncc3C2)cc1 2286548599 MTFNLOLWSSDVIW-UHFFFAOYSA-N 292.364 0.811 10 10 CCCE Nc1ccc(OCCS(=O)(=O)NC[C@H]2CC[C@@H]2N)cc1 2287577359 SUHPPNHRPXOTFV-MFKMUULPSA-N 299.396 0.304 10 10 CCCE C[C@@H]1Cc2cc(N3C[C@H](O)[C@H](O)[C@H](CO)C3)ccc2O1 2289330722 MLROGVBNAXCWFX-WRPZCXLFSA-N 279.336 0.160 10 10 CCCE CN(CCCN=[N+]=[N-])S(=O)(=O)CCOCCF 2301771102 FZXJNCUARVKYGJ-UHFFFAOYSA-N 268.314 0.935 10 10 CCCE Cn1ccc(=NC(=O)C=Cc2ccc(O)c(O)c2)[nH]1 2307982288 XTULSRYAQVMDIK-UHFFFAOYSA-N 259.265 0.905 10 10 CCCE CNCc1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CF)cc1 2312002227 LCYNGHUXTIUANA-UPJWGTAASA-N 254.305 0.286 10 10 CCCE CNCc1ccc(N2C[C@@H](O)[C@@H]3COC[C@@H]32)c(C)c1 2329194279 COTSYTYDBOKFJO-VHDGCEQUSA-N 262.353 0.910 10 10 CCCE N[C@H]1CCCc2cc(N3CC([C@@H](O)CO)C3)ccc21 2336770372 ZXINVDFWSQTYQU-GJZGRUSLSA-N 262.353 0.812 10 10 CCCE CC(C)[C@@H](CN)N(C)C(=O)c1cc(O)c(O)c(O)c1 2341313507 CKLRTHRONILGFF-SECBINFHSA-N 268.313 0.859 10 10 CCCE NC(=O)C1CCN(C[C@H](O)COc2ccc(N)cc2)CC1 36985219 RKCGKVMUPHIDBY-ZDUSSCGKSA-N 293.367 0.206 10 10 CCCE CN(CC1CC(N)C1)C(=O)c1cccc(O)c1O 126836221 XDJHRLJTRICAJV-UHFFFAOYSA-N 250.298 0.907 10 10 CCCE N[C@@H](CO)c1cccc(I)c1O 72199583 VEJFSYBTERXJPC-ZETCQYMHSA-N 279.077 0.989 10 10 CCCE c1cn(CCNCc2ccc(N3CCOCC3)cc2)nn1 136323932 CXJDIYQPYRIMBT-UHFFFAOYSA-N 287.367 0.905 10 10 CCCE CC(C)S(=O)(=O)c1nnn(-c2ccc(N)cc2)c1N 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COc1cc(O)c(CN2CCOC3(CNC3)C2)cc1OC 853249060 MRGKKRACPYTNSK-UHFFFAOYSA-N 294.351 0.584 10 10 CCCE COc1ccc(N2C[C@@H](O)C[C@@H]2CO)c([N+](=O)[O-])c1 698167413 KWMCFSOMVQQWKS-BDAKNGLRSA-N 268.269 0.535 10 10 CCCE COc1c([N+](=O)[O-])ccc(CNCCOCCCN)c1O 863650515 UMMUCZTUSKRFES-UHFFFAOYSA-N 299.327 0.764 10 10 CCCE CN1C(=O)[C@@H](O)c2ccc(N3CC([N+](=O)[O-])C3)cc21 1876150662 VVAJTYLPPFAVDA-NSHDSACASA-N 263.253 0.162 10 10 CCCE Nc1ccc(OCCC(=O)N2CCN[C@@H]3C[C@H]32)cc1 1876483682 ODSHOXJCXMRZPC-CHWSQXEVSA-N 261.325 0.610 10 10 CCCE O=C(O)[C@H]1C[C@H](NCc2ccc(O)c(O)c2)CCO1 1880040775 HDJQINBNNKDZHF-BXKDBHETSA-N 267.281 0.820 10 10 CCCE C[C@H](O)[C@@H](N)c1nnc(-c2cccc(O)c2O)o1 83384264 SFOBYXOOUXCQBS-YLWLKBPMSA-N 251.242 0.528 10 10 CCCE CC[C@@H](N)C(=O)NCc1cc(O)c(O)c([N+](=O)[O-])c1 83512638 UZMQWZVGEWHJGL-SSDOTTSWSA-N 269.257 0.360 10 10 CCCE C[C@H](NC(=O)NCc1nc(N)n[nH]1)c1ccccc1O 1235060921 JKYUNWGEYREGCM-ZETCQYMHSA-N 276.300 0.653 10 10 CCCE C[C@@H](c1ccccc1O)N(C)C(=O)c1n[nH]c(N)n1 55168369 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O=C(NC[C@@H]1NC[C@H]2C[C@@H]21)c1cc(O)c(O)c(O)c1 1905947977 WERNNYSLGVFXTG-VGMNWLOBSA-N 264.281 0.141 10 10 CCCE O=C(CCN1C(=O)CSC1=S)N1CCC(O)CC1 1865766245 YQKAGAVCSAYXBK-UHFFFAOYSA-N 288.394 0.220 10 10 CCCE CC(=O)N[C@@H](C)CN[C@@H](C(=O)O)c1cc(C)ccc1O 211727514 PROFZLRMEDGYQY-TVQRCGJNSA-N 280.324 0.941 10 10 CCCE C[C@@H](NC(=O)c1ccc(=O)n(C)n1)c1ccccc1O 1557966573 IIJBXTUHYDOOOF-SECBINFHSA-N 273.292 0.977 10 10 CCCE C[C@H](O)CN1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1639095885 JXXNIDJXGUSMCZ-NSHDSACASA-N 294.351 0.165 10 10 CCCE N[C@@H]1CCc2cc(N3CC[C@@H](O)[C@@H](CO)C3)ccc21 2128295195 BMIZAPSGWJERMV-KCPJHIHWSA-N 262.353 0.812 10 10 CCCE CS(=O)(=O)N1CC[C@@H](CN2CC[C@@H](CN=[N+]=[N-])C2)C1 1912154401 BWDFQXSYMGLMQO-QWRGUYRKSA-N 287.389 0.900 10 10 CCCE C[C@H]1C[C@@H]1C(=O)NCCC(=O)N1CC(N=[N+]=[N-])C1 1912179464 SIVJMJNGRFGUHO-CBAPKCEASA-N 251.290 0.670 10 10 CCCE COc1cc(N2CCN(C(C)=O)CC2)ccc1CO 2139704185 ILTXRTMZRPGJGF-UHFFFAOYSA-N 264.325 0.856 10 10 CCCE COCC[S@](C)(=O)=NCC(=O)N(C)c1ccc(N)cc1 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CS(=O)(=O)CC1CC(NC(=O)Cc2ccc(N)cc2)C1 1974459017 NIQCJJHWDHNUMR-UHFFFAOYSA-N 296.392 0.751 10 10 CCCE C[C@H]1C[C@@H](Nc2c(N)cccc2C(N)=O)CCS1(=O)=O 2143953555 KFLIPPOGDYIBGG-IUCAKERBSA-N 297.380 0.745 10 10 CCCE CCCN(c1ccc(CN)cc1)[C@H](C)C(=O)NC(N)=O 34654725 RFJWLEGVUCTERO-SNVBAGLBSA-N 278.356 0.945 10 10 CCCE CCN[C@@H]1C(=O)Nc2cc(N3C[C@H](F)[C@H](O)C3)ccc21 2149260272 XMOMFATWTSEIPP-UHTWSYAYSA-N 279.315 0.808 10 10 CCCE Nc1ccc(NC(=O)CN2CCC[C@H](CO)C2)cc1 36206007 GVGGZAXEVUKWCP-NSHDSACASA-N 263.341 0.912 10 10 CCCE CN1C(=O)[C@H](O)c2ccc(N3CC[C@@H](O)[C@H](F)C3)cc21 2144566858 PXWNJAKFYQIJOE-RAIGVLPGSA-N 280.299 0.606 10 10 CCCE CN(C)c1ccc(-c2nc3c(=O)[nH]c(=O)[nH]c3[nH]2)cc1 160786833 SIXWCFAWFKHTLF-UHFFFAOYSA-N 271.280 0.673 10 10 CCCE CO[C@@H]1COC[C@@H]1CNCc1cc2c(cc1O)OCO2 2154125566 BKGJZITZNUSEFH-IINYFYTJSA-N 281.308 0.872 10 10 CCCE C[C@H](NC(=O)N1CC[C@@H](N=[N+]=[N-])C1)S(C)(=O)=O 2024078601 AUZBJWFRENDARD-RNFRBKRXSA-N 261.307 0.471 10 10 CCCE Nc1ccc(CCCN2CC(OCCO)C2)cc1 2034840873 GIXUZAGBKGZENQ-UHFFFAOYSA-N 250.342 0.895 10 10 CCCE CC1(C)C[C@H](NC(=O)c2cccc(O)c2O)CN1 2037006700 UYJRFUBFTFYHGU-QMMMGPOBSA-N 250.298 0.968 10 10 CCCE NC(=O)[C@@H]1CCN(C(=O)[C@H]2CNc3ccccc3N2)C1 300527597 FAIPBVDSHBBUNC-BXKDBHETSA-N 274.324 0.226 10 10 CCCE CC[C@H]1C[C@@H](C(=O)O)N(C(=O)c2cc(O)nc(O)c2)C1 2159238437 KOTQZBYWCVIGFE-CBAPKCEASA-N 280.280 0.818 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@H]2CCC[C@H]2O)cc1 323237646 BTCWOVLMUQEVCK-NWDGAFQWSA-N 270.354 0.602 10 10 CCCE O=C(c1cccc(O)c1O)N1CC[C@](CO)(C(=O)O)C1 2159952337 VOILBSFPCWKVMF-ZDUSSCGKSA-N 281.264 0.007 10 10 CCCE CNC(=O)CN1CCN(c2ccc([C@@H](C)O)cc2)CC1 700789933 ZSNCCEOMHPMOFI-GFCCVEGCSA-N 277.368 0.608 10 10 CCCE CCNCc1ccc(N2CC(C(N)=O)C2)c(F)c1 382059572 CVZNQKNTYRIBMS-UHFFFAOYSA-N 251.305 0.857 10 10 CCCE Cc1cc(=NC(=O)[C@@H]2CNc3ccccc3N2)[nH]n1C 383512808 DZCZJBVTLGSUPX-LBPRGKRZSA-N 271.324 0.995 10 10 CCCE CCCC(=O)NCCNC(=O)COc1ccc(N)cc1 393056061 MOWLOWPDJHRZFZ-UHFFFAOYSA-N 279.340 0.680 10 10 CCCE Nc1ccc(OC[C@H](O)CN2C[C@H]3OCC[C@@H]3C2)cc1 2172044457 KRJAOUBDFHDAOO-UXIGCNINSA-N 278.352 0.729 10 10 CCCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)[C@@H]2[C@@H]3CS(=O)(=O)C[C@@H]32)CC1 2174575032 BKCPNDXAVNWZJI-CHWFTXMASA-N 298.368 0.968 10 10 CCCE CCN1C[C@@H]2C[C@H]1CN2C(=O)COc1ccc(N)cc1 2187563663 DGACSMHJBQJPLZ-STQMWFEESA-N 275.352 0.953 10 10 CCCE CN(Cc1ncn(C)n1)c1ccc(CO)c([N+](=O)[O-])c1 2188578019 WKKHTWKXXYRMQL-UHFFFAOYSA-N 277.284 0.852 10 10 CCCE CC1(C)CN[C@@H](CNC(=O)c2cc(O)c(O)c(O)c2)C1 2188931690 VUPLWHKLLYQPMO-SECBINFHSA-N 280.324 0.921 10 10 CCCE O=C(c1cccc(O)c1O)N1C[C@H](CO)OCC12CC2 2183962827 KXGATYYQKWMEQC-SECBINFHSA-N 279.292 0.464 10 10 CCCE COc1ccc(N2CCOC[C@@H](N)C2)cc1OC 2044335021 PCYYPQGILCCKKX-JTQLQIEISA-N 252.314 0.868 10 10 CCCE CO[C@@H]1CS(=O)(=O)C[C@H]1N1CCC[C@H]1CN=[N+]=[N-] 2059051562 OOHMZJLNSXZEPZ-IVZWLZJFSA-N 274.346 0.573 10 10 CCCE C[C@H](c1ccccc1O)N(C)S(=O)(=O)N1CC(N)C1 2102761231 VJNBKDOTHMQIGC-SECBINFHSA-N 285.369 0.273 10 10 CCCE CO[C@H](C)[C@@H](N)C(=O)NCc1cccc(C)c1O 2084057966 AWDYDDQWZGSNKH-MWLCHTKSSA-N 252.314 0.679 10 10 CCCE Oc1ccc(CNCCO[C@@H]2CCOC2)c(O)c1O 2087522427 YGIZAUJQDFIZPU-SNVBAGLBSA-N 269.297 0.699 10 10 CCCE CNC1(C(N)=O)CN([C@H](C)c2ccc(F)cc2O)C1 2109490314 BWLPBBIAGCZWTC-MRVPVSSYSA-N 267.304 0.351 10 10 CCCE Oc1ccc(CN[C@@H]2C[C@H]3C[C@H]2[C@H](O)[C@@H]3O)c(O)c1 2110105551 LBTGOXLWKLUUEH-QGOIZSIMSA-N 265.309 0.318 10 10 CCCE C[C@@H]1CCN(CCOc2ccc(N)cc2)[C@@H]1C(N)=O 2090266847 WYELHNFKBKEECU-MFKMUULPSA-N 263.341 0.843 10 10 CCCE C[C@@H]1C[C@@H]1N(CCO)C(=O)COc1ccc(N)cc1 2110787681 UNCNZVAJNNJVPI-MFKMUULPSA-N 264.325 0.877 10 10 CCCE CN(C(=O)CN1C[C@@H](O)C12CCC2)c1ccc(N)cc1 2201412590 LSUWZLOFRHBPRR-CYBMUJFWSA-N 275.352 0.831 10 10 CCCE C[S@@](=O)C1CN(c2cc3c(cc2F)[C@@H](O)C(=O)N3)C1 2115311565 SJVZRIWKMDOLNB-NSPYISDASA-N 284.312 0.378 10 10 CCCE COc1cc(N2C[C@H]3CS(=O)(=O)C[C@@H]3C2)ccc1CO 2204550211 NCSJTBDUHMQAGM-RYUDHWBXSA-N 297.376 0.668 10 10 CCCE CO[C@@H]1[C@H](OC)CN(c2ccc(CN)c(C)c2)[C@@H]1CO 2233356904 RECUEBSMSUWMLM-KFWWJZLASA-N 280.368 0.665 10 10 CCCE C[C@H](c1ccccc1O)N(C)CCOCC(N)=O 2224080280 OPPPECAIUUYXBH-SNVBAGLBSA-N 252.314 0.887 10 10 CCCE NC(=O)C1(O)CCN(c2ccc3c(c2)CCCO3)CC1 2235040332 BRJXEZXNYKYBFS-UHFFFAOYSA-N 276.336 0.828 10 10 CCCE COC[C@@H]1[C@H](O)[C@H](O)CN1c1ccc(CO)cc1Cl 2225516340 FGXCXASFSIJBAQ-UPJWGTAASA-N 287.743 0.389 10 10 CCCE CCCNCc1cc(OC)ccc1N1C[C@H](O)[C@H](O)C1 2235953514 BPOYOUGIONLPAZ-GASCZTMLSA-N 280.368 0.737 10 10 CCCE O[C@H]1[C@H](O)COC12CN(c1ccc3c(c1)CCC3)C2 2226752996 QPSVOETULIKSFQ-KGLIPLIRSA-N 261.321 0.486 10 10 CCCE Nc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]2C[C@H]3[C@@H](O)[C@@H]2O)cc1 2228722505 PAWNAIFGRUYWOT-ARSDKDGVSA-N 260.337 0.693 10 10 CCCE Cc1cc([C@H](C)N)ccc1N1CC[C@H]1[C@H](O)CO 2258330324 SKXLDKHWUNVUIH-LEWSCRJBSA-N 250.342 0.947 10 10 CCCE COc1ccc(N2CCOC3(CNC3)C2)c(OC)c1 2272834927 GCWOUGFCEZNPIF-UHFFFAOYSA-N 264.325 0.882 10 10 CCCE CCN(C)C(=O)CN1CCN(c2ccc(N)cc2)CC1 35367359 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296.298 0.420 10 10 CCCE COC(=O)N[C@@H]1CCN(c2ccc3c(c2)NC(=O)[C@H]3N)C1 252795545 BLUZOMJASNHZDI-PELKAZGASA-N 290.323 0.573 10 10 CCCE CCn1cc([N+](=O)[O-])c(C(=O)OCC(=O)C(C)=O)n1 808541134 PGUJRHPXSIUHOC-UHFFFAOYSA-N 269.213 0.126 10 10 CCCE CC(=O)C(=O)COC(=O)CCc1c(C)noc1C 808496761 GSUHGMUYKCQROZ-UHFFFAOYSA-N 253.254 0.925 10 10 CCCE O=[N+]([O-])c1ccc(N2C[C@@H](CO)[C@@H](CO)C2)cc1CO 704450104 AWTFEVKJOOBWFP-PHIMTYICSA-N 282.296 0.124 10 10 CCCE CN[C@@H](c1ccc(N(C)C)cc1)[C@H](O)c1nnn(C)n1 2163146706 VSPYBGSDIFOUFL-RYUDHWBXSA-N 276.344 0.270 10 10 CCCE O=C(CN1CSCC1=O)NCc1c(O)cccc1F 928709853 MMOCGPGLDURXBL-UHFFFAOYSA-N 284.312 0.680 10 10 CCCE NC[C@@H]1COC[C@H]1NC(=O)CCc1ccc(N)cc1 1876452050 UZUHFOIWPAKPOE-DGCLKSJQSA-N 263.341 0.291 10 10 CCCE Nc1ccc(OCCC(=O)N2C[C@H]3C[C@@]3(N)C2)cc1 1876484218 QWXAQCPCYIAVSQ-QMTHXVAHSA-N 261.325 0.597 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@@H]3CC[C@@H]3C2=O)cc1 1876404708 ZZJVDNPMSVGZJB-JQWIXIFHSA-N 280.349 0.967 10 10 CCCE CC(=O)N[C@@H](CN[C@@H](C)c1ccccc1O)C(=O)O 1877555039 WIPCDSHEMVUZFJ-KWQFWETISA-N 266.297 0.632 10 10 CCCE Nc1ccc(NC(=O)CN2C[C@@H]3COCC[C@H]32)cc1 1878818836 MHXBVHFANCIVMU-ZWNOBZJWSA-N 261.325 0.928 10 10 CCCE C[C@H](N)c1cc(F)c(N2CC[C@H](O)[C@H](O)C2)c(F)c1 1880923565 IZGHZSUURREPGF-CQFDHEJISA-N 272.295 0.916 10 10 CCCE CC(=O)N[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1 1142620775 QTTVGZGFGMIFJO-LLVKDONJSA-N 278.308 0.377 10 10 CCCE C[C@@H](NCc1ccc(O)cc1O)C(=O)N1CCOCC1 134636091 JKEWFNVCDWJIOS-SNVBAGLBSA-N 280.324 0.435 10 10 CCCE Nc1ccc(OCCNC(=O)[C@@H]2COCCO2)cc1 55297564 BLSQDPKHHKMJKX-LBPRGKRZSA-N 266.297 0.179 10 10 CCCE CN1CCN(Cc2cc(F)cc(F)c2O)C[C@H]1C(=O)O 708216421 SENUCBAPMZRTHX-NSHDSACASA-N 286.278 0.871 10 10 CCCE Nc1ccc(NC(=O)N[C@H]2COCC[C@@H]2O)cc1 710867973 GRRLLDUABOJVQK-QWRGUYRKSA-N 251.286 0.540 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3C[C@H]4COC[C@H]4C3)cc21 718193435 TYZHHCAACHTKJX-ISTVAULSSA-N 273.336 0.745 10 10 CCCE C[C@H](NCc1ccc(N2CCOCC2)cc1)[C@H](O)CO 698979235 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CN(CCO)CCN(C)c1ccc2c(c1)CC[C@H]2N 2128310246 FACPODAANRMNFE-OAHLLOKOSA-N 263.385 0.993 10 10 CCCE COc1cc(N2CC(O)(CO)C2)c([N+](=O)[O-])cc1OC 848713071 BLSIBNCGGIZZJL-UHFFFAOYSA-N 284.268 0.155 10 10 CCCE CN(CCCN=[N+]=[N-])C(=O)CN1C(=O)NC(C)(C)C1=O 1912147463 JDBIUWBUNZPKJS-UHFFFAOYSA-N 282.304 0.476 10 10 CCCE COCCCNC(=O)[C@@H](C)N1CC[C@@H](N=[N+]=[N-])C1 1912206722 KYJJOOPVKUVWJH-NXEZZACHSA-N 255.322 0.912 10 10 CCCE Nc1ccc(OC[C@H](O)CN2CCC3(COC3)C2)cc1 1915811865 ZMHBRFPCSWBDPK-CYBMUJFWSA-N 278.352 0.731 10 10 CCCE CNC(=O)[C@H](C)N(C)C(=O)CCc1ccc(N)cc1 1916805666 GPVLDEOQXNFFIS-JTQLQIEISA-N 263.341 0.794 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@@H](N)[C@@H]1CCOC1 1966848198 ADDZQPBOXJTJKL-YPMHNXCESA-N 264.325 0.714 10 10 CCCE COCC[C@](C)(O)CNCc1ccc(O)c(O)c1 227541107 SWBBUVCVEMHLCW-ZDUSSCGKSA-N 255.314 0.975 10 10 CCCE CNCc1ccc(N(C)[C@H]2COC[C@H]2O)cc1OC 2139699532 WZOPLPXGVJBAOL-QWHCGFSZSA-N 266.341 0.611 10 10 CCCE CNC(=O)CCN(C)c1ccc([N+](=O)[O-])c(CO)c1 234376456 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CC(C)(F)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 312450412 JYTWYQPDEBNUQX-QMMMGPOBSA-N 285.271 0.958 10 10 CCCE COc1cccc(O)c1CN1CC[C@@]2(CNCCO2)C1 2160728026 FSPKCYZIGZAZOT-OAHLLOKOSA-N 278.352 0.965 10 10 CCCE CNCc1ccc(N2CCN(CCO)C(=O)C2)c(F)c1 2171077930 RDJKSSWJHXCRRE-UHFFFAOYSA-N 281.331 0.186 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC[C@@]2(C(=O)O)C[C@H]2C1 2161284604 GIFCBYRPHFYOKA-ISVAXAHUSA-N 278.264 0.430 10 10 CCCE CN1C(=O)O[C@H]2CN(C(=O)Cc3ccc(N)cc3)C[C@H]21 2176930291 IQIWIIZAWOHINO-NEPJUHHUSA-N 275.308 0.473 10 10 CCCE C[C@@H]1C[S@@](=O)CCN1CC(=O)N(C)c1ccc(N)cc1 2171963085 IIBCIEMWBNFKBR-GIPWTMENSA-N 295.408 0.684 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H]1CC12CC2 715701739 YGYZNLYUQBISEN-CABZTGNLSA-N 262.309 0.636 10 10 CCCE COc1cc(Cl)cc(CNC[C@H](O)[C@H](C)O)c1O 717309409 TZIFGSZAFSFRCJ-XVKPBYJWSA-N 275.732 0.886 10 10 CCCE [N-]=[N+]=NCCN[C@H](C(N)=O)[C@@]12CCC[C@@H]1OCC2 720235877 SIGAACLZPFAUOM-IQJOONFLSA-N 253.306 0.699 10 10 CCCE Cc1nc(CCNS(=O)(=O)Cc2ccc(N)cc2)n[nH]1 392407206 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O=C(N[C@@H]1CNC[C@H]1C(F)(F)F)c1cccc(O)c1O 2193242019 NAPINPPSKCNFNU-HTQZYQBOSA-N 290.241 0.978 10 10 CCCE COC[C@H]1CCN(CC(=O)Nc2ccc(N)cc2)C1=O 2193620907 FYXAZXIMPFPKEN-SNVBAGLBSA-N 277.324 0.702 10 10 CCCE C[C@@H](O)c1ccc(N2C[C@@H](O)C[C@@H](O)C2)cc1O 2043181142 DEIRDUKERXSEKP-IEBDPFPHSA-N 253.298 0.377 10 10 CCCE CNCc1ccc(N2C[C@@H](O)C[C@@H](O)C2)cc1Cl 2043134365 LLOUSMHRPOMYOI-TXEJJXNPSA-N 270.760 0.991 10 10 CCCE C[C@H](NC[C@@](C)(O)CCO)c1cc(O)ccc1O 2045306219 WSIFVMMSLSHGKH-ZANVPECISA-N 255.314 0.882 10 10 CCCE Nc1ccc(CCNC2[C@H]3CS(=O)(=O)C[C@H]23)cc1 2054298813 LZCDPKQTYXVGJC-RYUDHWBXSA-N 266.366 0.444 10 10 CCCE C[C@H]1CN(C(=O)c2cccc(O)c2O)C(C)(C)C(=O)N1 2186223195 WSVQCPJSCBFYMF-QMMMGPOBSA-N 278.308 0.837 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CC2(CC(CO)C2)C1 2186513532 KKLDMSSOUWFYDE-UHFFFAOYSA-N 277.320 0.871 10 10 CCCE COC(=O)[C@]1(NCCCN=[N+]=[N-])CO[C@H]2C[C@@H]1C2 2063104500 BHZLYKMFVASRTG-NGZCFLSTSA-N 254.290 0.997 10 10 CCCE Nc1ccc(OCC(=O)N2C[C@H]3CNC[C@@H](C3)C2)cc1 2191716973 QQLPDYCKFRVBBK-VXGBXAGGSA-N 275.352 0.716 10 10 CCCE CN1CC[C@@H](NCc2cccc(O)c2O)CC1=O 2068230968 ULUZOBBILAXQBO-SNVBAGLBSA-N 250.298 0.808 10 10 CCCE CO[C@H](C)[C@@H](C)NC(=O)c1cc(O)c(O)c(O)c1 2068622955 CBKNWKBIWYSSCY-RNFRBKRXSA-N 255.270 0.957 10 10 CCCE N[C@H]1CC[C@H](NC(=O)c2cc(O)c(O)c(O)c2)C1 2068623186 DTEOMUQDPYGZQD-YUMQZZPRSA-N 252.270 0.413 10 10 CCCE Cn1cc(S(=O)(=O)Nc2ccc(N)cc2)c(=N)[nH]1 2071662728 VJMVYYUEMNZPBY-UHFFFAOYSA-N 267.314 0.216 10 10 CCCE Cc1cccc(O)c1[C@H](NC[C@@H]1CCCO1)C(N)=O 2104480850 YPRCCUSRUBDACM-GWCFXTLKSA-N 264.325 0.996 10 10 CCCE CN(C)c1ccc([C@H](N)[C@@H](O)c2ncnn2C)cc1 2106849978 CWDSALIVEILFKI-NWDGAFQWSA-N 261.329 0.615 10 10 CCCE N[C@@H]1CC[C@H](CS(=O)(=O)NCc2ccccc2O)C1 2087460560 SOVQVMLMXFDVCU-CMPLNLGQSA-N 284.381 0.939 10 10 CCCE CN(C)c1ccc([C@H](O)[C@]2(C(=O)O)CCCN2)cc1 2108568891 PXJUMTPAQISUEU-JSGCOSHPSA-N 264.325 0.993 10 10 CCCE CC(C)[C@H](C)[C@@H](N)CNC(=O)c1cc(O)nc(O)c1 2088738111 LYTPMBRAGHQWCF-WPRPVWTQSA-N 267.329 0.842 10 10 CCCE Cc1cc(CO)ccc1N1C[C@]2(CO)C[C@]2(CO)C1 2090114349 TYKMOPJPXSAUDZ-GASCZTMLSA-N 263.337 0.668 10 10 CCCE Nc1ccc(CC(=O)N[C@@H]2C[C@H](CO)[C@@H]3C[C@@H]23)cc1 2110551046 VLQCJPXOOAZTHS-YXCITZCRSA-N 260.337 0.944 10 10 CCCE C[C@](O)([C@@H]1CCS(=O)(=O)C1)[C@H](N)c1ccccc1O 2091859803 QPRUTNLPALQFRS-WQAKAFBOSA-N 285.365 0.578 10 10 CCCE C[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H](C)[C@H]1N 2095699583 QBUGFVNARWCIII-RWYTXXIDSA-N 265.313 0.691 10 10 CCCE CCCNCc1ccc(N2C[C@H](O)[C@@H](O)C2)cc1OC 2204556491 DYICLQPVQTXWHX-KBPBESRZSA-N 280.368 0.737 10 10 CCCE Nc1ccc(NC(=O)CN2CC[C@H]3[C@H](C[C@H]3O)C2)cc1 2232886909 GXGZBUJHCTZTPZ-DDTOSNHZSA-N 275.352 0.910 10 10 CCCE COc1ccc(O)c(CN2C[C@@H]3CN[C@H](CO)[C@@H]3C2)c1 2235566698 HWLBBBSXBZQNSQ-IACUBPJLSA-N 278.352 0.413 10 10 CCCE COc1ccc(N2CCS(=O)(=O)C[C@H]2C)c(CN)c1 2227676829 WLXQQASIHFXUSB-SNVBAGLBSA-N 284.381 0.777 10 10 CCCE CC1(C)NC(=O)O[C@@H]1CNC(=O)c1cc(O)nc(O)c1 2239261970 HFOQPINLGJUUCN-SSDOTTSWSA-N 281.268 0.110 10 10 CCCE O=C(NC[C@H]1C[C@H](C(=O)O)C1)c1ccc(O)c(O)c1 2229373119 CQFIYMIGIWGYOW-XWEPSHTISA-N 265.265 0.938 10 10 CCCE COc1ccc(N(C)C[C@@H]2CO[C@@H]3CNC[C@@H]3O2)cc1 2279787366 HFRKIWPXSHTLDL-KFWWJZLASA-N 278.352 0.887 10 10 CCCE CN(Cc1cc(Cl)ccc1O)CC1(O)CNC1 2250118201 PCPIEGGNCILDHZ-UHFFFAOYSA-N 256.733 0.812 10 10 CCCE OC[C@H](O)[C@H]1CCN1c1ccc2c(c1)OCCO2 2258334300 VBPYDVRQPFDVPD-MNOVXSKESA-N 251.282 0.390 10 10 CCCE COC(=O)N[C@H](C)CNCc1cccc(O)c1O 2261469323 LRRHYALTHAQZHS-MRVPVSSYSA-N 254.286 0.932 10 10 CCCE OCc1ccc(N2C[C@@H]3OC[C@@H](CO)O[C@H]3C2)cc1 2265018739 AYSAFVISNNPPES-RDBSUJKOSA-N 265.309 0.144 10 10 CCCE N[C@H]1CC[C@H]1S(=O)(=O)NCCc1ccc(O)c(O)c1 2338255986 WVBLMLBLFBWESH-JOYOIKCWSA-N 286.353 0.049 10 10 CCCE CC(C)n1nccc1NC=C1C(=O)N(C)C(=O)N(C)C1=O 60864666 HXXQVMSYNGUQMJ-UHFFFAOYSA-N 291.311 0.810 10 10 CCCE C[C@@H](NC(N)=O)C(=O)NCc1ccc(N2CCCC2)cc1 60399408 XIASGDLTCMBMLZ-LLVKDONJSA-N 290.367 0.960 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@@H]1COC[C@H]1N 90382885 CHIXNSBSBITSIA-GHMZBOCLSA-N 250.298 0.324 10 10 CCCE CN1CCc2cc(CNCCNS(C)(=O)=O)ccc21 50286321 VAJHSKHOGKYBQO-UHFFFAOYSA-N 283.397 0.318 10 10 CCCE COc1cc(C)c2c(c1)C(=O)N[C@@H](C(=O)O)CN2C 527430789 DNBOKHZAVZTGJB-SNVBAGLBSA-N 264.281 0.636 10 10 CCCE CC(=O)C(=O)COC(=O)c1cc(N)nc(Cl)c1 808513840 NGDIUILORLVOQG-UHFFFAOYSA-N 256.645 0.632 10 10 CCCE Oc1ccc(CNC[C@@H]2C[C@H]3COC[C@H]3O2)cc1O 724621761 XSCNMMNCRNOQTJ-COPLHBTASA-N 265.309 0.991 10 10 CCCE CCNC(=O)N1CCN(Cc2cc(N)ccc2O)CC1 721758726 FQMLHPNYOQIOEB-UHFFFAOYSA-N 278.356 0.822 10 10 CCCE CN1CCC[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)C1 2132349390 CMGFBTIUJWWPDP-SECBINFHSA-N 266.297 0.627 10 10 CCCE C[C@@H](C[S@@](C)=O)N(C)C(=O)c1cc(O)c(O)c(O)c1 2132350967 RYJZBHZHFBYVKT-ZDVLTJLQSA-N 287.337 0.642 10 10 CCCE COCCNC[C@@H](C)N(C)C(=O)c1cc(O)nc(O)c1 721635057 WOWZVXLMXVHQGX-SECBINFHSA-N 283.328 0.189 10 10 CCCE C[C@H]1CCO[C@@H]1CNC(=O)c1cc(O)c(O)c(O)c1 2132407727 RBAOXIJXXXEHPS-WRWORJQWSA-N 267.281 0.958 10 10 CCCE C[C@H]1CCNC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2132410171 KWICKTJWNDLWQC-IONNQARKSA-N 266.297 0.531 10 10 CCCE CC(=O)N(C)CC(=O)NCc1c(O)cccc1F 928711655 KUSCDBGKBPTRBP-UHFFFAOYSA-N 254.261 0.626 10 10 CCCE C[C@]1(CO)C[C@@H](O)CN1c1cc2c(cc1N)OCCO2 698158882 MSQRCEQCHGKPKZ-YMTOWFKASA-N 280.324 0.362 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1C[C@@H](O)C2(CC2)C1 1556305608 XNXDKOLCMWODJI-GFCCVEGCSA-N 263.293 0.624 10 10 CCCE COc1cc(N2CC(=O)N(C)C2)c([N+](=O)[O-])cc1OC 779426972 RFNVDYCDTQZLQX-UHFFFAOYSA-N 281.268 0.848 10 10 CCCE C[C@H]1OC(=O)N[C@@H]1C(=O)N1Cc2cccc(O)c2C1 871204582 MBBGETWPFNJYRM-HQJQHLMTSA-N 262.265 0.731 10 10 CCCE Nc1ccc(OCC(=O)N[C@@H]2CCNC[C@H]2F)cc1 1876522581 CIAKCFAYMVRVSG-VXGBXAGGSA-N 267.304 0.464 10 10 CCCE CO[C@@H]1C[C@@H](CN)N(C(=O)Nc2ccc(N)cc2)C1 1876153352 RSEKCLXUSKVARA-NWDGAFQWSA-N 264.329 0.849 10 10 CCCE NC[C@H]1C[C@@H](NC(=O)Nc2ccc(N)cc2)CCO1 1876153376 SDEIVFRMOSNPGU-NWDGAFQWSA-N 264.329 0.897 10 10 CCCE CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)NCCN=[N+]=[N-] 1882297897 KDUQMIGROWXEKB-QMMMGPOBSA-N 287.320 0.953 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@@H]1OCC[C@@H]1N 703143274 VTNYEZXZNZFEAW-CMPLNLGQSA-N 250.298 0.467 10 10 CCCE O=C1CN(c2ccc(CNC3CC3)cc2F)CC(=O)N1 97269683 MTCZQRJWNAGTBY-UHFFFAOYSA-N 277.299 0.541 10 10 CCCE CO[C@H](C(=O)NCc1c(O)cccc1O)[C@H]1CCOC1 1456315143 IMNRIDYJGNXGDK-ZANVPECISA-N 281.308 0.766 10 10 CCCE Cc1cc(N2C[C@H]3C[C@@H](O)[C@@H](O)[C@H]2C3)ccc1CN 2116693897 FXBUFERZPRLMCI-QZKOUSHUSA-N 262.353 0.774 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1C[C@@H]2C[C@@H](CO)[C@@H]2C1 2117676547 YUNJPYPMALNGFV-LPEHRKFASA-N 264.281 0.193 10 10 CCCE CN(C[C@@H]1COCCO1)C(=O)Cc1ccc(O)c(O)c1 1628787761 IBDNUIAIMJENQP-LLVKDONJSA-N 281.308 0.514 10 10 CCCE CN(C[C@@H]1COCCN1)c1ccc2c(c1)OCO2 214561360 VASDZFUDYHXNGO-SNVBAGLBSA-N 250.298 0.840 10 10 CCCE O=C(N[C@H](CO)Cc1cnc[nH]1)c1cc(O)cs1 1643136121 SCFYNNHTHMHJBG-QMMMGPOBSA-N 267.310 0.510 10 10 CCCE COC[C@@H](O)CN(C)c1ccc2c(c1)NC(=O)[C@H]2N 250451046 VRKUFCZZEAYOCP-CABZTGNLSA-N 265.313 0.082 10 10 CCCE CC1(C)CN(c2ccc3c(c2)NC(=O)[C@@H]3N)C[C@@H](CO)O1 163199414 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CCN(C[C@@H](O)COc1ccc(N)cc1)C1CN(C)C1 2146891125 LPJPYRXRSMFWNJ-CQSZACIVSA-N 279.384 0.644 10 10 CCCE CC(C)[C@@H]1CNC(=O)CN1C(=O)Cc1ccc(N)cc1 1969720191 OQWAHAXKSDKYCH-ZDUSSCGKSA-N 275.352 0.794 10 10 CCCE Cn1cnc(NS(=O)(=O)CCOc2ccc(N)cc2)n1 2146942943 GHRWYRBCJKJNTG-UHFFFAOYSA-N 297.340 0.218 10 10 CCCE CCN(CC)c1ccc([C@@H](O)[C@H](N)C(=O)O)cc1 1951883245 CCBWWKURDIYOHK-NWDGAFQWSA-N 252.314 0.978 10 10 CCCE C[C@@H]1CN(CC(=O)Nc2ccc(N)cc2)CC[C@H]1O 253206661 XDUUINNUVPGQJM-ZWNOBZJWSA-N 263.341 0.910 10 10 CCCE O=C(N[C@@H]1CCO[C@]12CCOC2)c1cccc(O)c1O 2144690001 PKVFWPQFSSLWGI-RISCZKNCSA-N 279.292 0.776 10 10 CCCE Nc1ccc(NC(=O)CCN2CCS(=O)(=O)CC2)cc1 36159676 QHMZAOHGASXHHM-UHFFFAOYSA-N 297.380 0.328 10 10 CCCE Nc1ccc(OCC(=O)NC[C@H]2CCCC(=O)N2)cc1 2145558348 SDIQSGGCPMHWLR-LLVKDONJSA-N 277.324 0.433 10 10 CCCE Nc1ccc(NC(=O)N2CC[C@H]3CS(=O)(=O)C[C@H]32)cc1 2151286486 QCAKULHKEFLINX-JOYOIKCWSA-N 295.364 0.920 10 10 CCCE CN1CC2(C1)CN(CCC(=O)Nc1ccc(N)cc1)C2 2152255667 OKEVBTQLIZUYQC-UHFFFAOYSA-N 274.368 0.845 10 10 CCCE C[C@H](CS(=O)(=O)Nc1ccc(N)cc1)C(=O)O 2012015605 NBTIPNJVOOOYOO-SSDOTTSWSA-N 258.299 0.731 10 10 CCCE CC1(C)CN(C(=O)c2ccc(O)c(O)c2)[C@H]1CN 2031688111 DNZJIXQBESHVBF-NSHDSACASA-N 250.298 0.907 10 10 CCCE NC(=O)CN(Cc1ccc(N)cc1)C(=O)c1cscn1 62353413 DNQNAWCGBJLAGG-UHFFFAOYSA-N 290.348 0.853 10 10 CCCE OC[C@H]1CN(c2ccc(CNC3CC3)cc2F)C[C@@H]1O 316897437 DICQWGCFTNDJQO-ABAIWWIYSA-N 280.343 0.867 10 10 CCCE CCOC(=O)[C@H](N)CNCc1ccc2c(c1)CCCO2 2160556125 CZBCZGWDTQELRX-CYBMUJFWSA-N 278.352 0.992 10 10 CCCE Oc1c(CNCCc2nn[nH]n2)ccc(F)c1F 700780251 CQLJCGKWBIYPOZ-UHFFFAOYSA-N 255.228 0.516 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)CCSCC(N)=O 701286951 OTTSUYHMLXADFM-QMMMGPOBSA-N 271.346 0.896 10 10 CCCE CCCS(=O)(=O)N[C@@H](C)C(=O)N(C)c1ccc(N)cc1 702086841 NSUQWYMFMANWFO-JTQLQIEISA-N 299.396 0.950 10 10 CCCE C[C@H](CNC(=O)[C@H]1CNc2ccccc2N1)S(C)(=O)=O 704907598 PBPRQUQDAKPYHA-BXKDBHETSA-N 297.380 0.442 10 10 CCCE CN1C[C@@H]2CN(C(=O)Cc3ccc(N)cc3)C[C@H]2C1 705677762 DVYJXTUIYFDEKI-CHWSQXEVSA-N 259.353 0.831 10 10 CCCE CN1CCNC[C@H]1c1nc(-c2ccc(O)c(O)c2)no1 686102833 OGCIRLXUUXVYLF-VIFPVBQESA-N 276.296 0.724 10 10 CCCE C[C@H]1CN(c2cc3c(cc2N)OCC(=O)N3)C[C@H]1CO 709324801 GUWBHPHSHCGJGJ-IUCAKERBSA-N 277.324 0.664 10 10 CCCE CC(C)[S@](=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 385603149 ZFMQPNLRXCOUMN-UGZDLDLSSA-N 287.337 0.755 10 10 CCCE CN(c1ccc(CN)cc1)[C@@H]1CCN(S(C)(=O)=O)C1 388822449 WLKODLOMXWLAEK-CYBMUJFWSA-N 283.397 0.615 10 10 CCCE C[C@@H](NCc1cc2c(cc1O)OCO2)c1nc(O)n[nH]1 392421915 QJOWRACJERLDFX-ZCFIWIBFSA-N 278.268 0.795 10 10 CCCE C[C@@H](CNCc1cccc(F)c1O)c1nn[nH]n1 392637191 WHNHZGMSRWKKAE-ZETCQYMHSA-N 251.265 0.938 10 10 CCCE Cc1ccc(CNS(=O)(=O)Cc2ccc(N)cc2)nn1 396574397 MKUAJEACJBLYTM-UHFFFAOYSA-N 292.364 0.987 10 10 CCCE O=C([C@H]1CCN2CCOC[C@@H]12)N1Cc2cccc(O)c2C1 2062856298 IEIQNAOSIFWQMA-JSGCOSHPSA-N 288.347 0.955 10 10 CCCE C[C@H]1CN(C(=O)c2ccc(O)c(O)c2)[C@H](C(=O)O)CO1 2165802868 JFRCIEFVCORZJY-CBAPKCEASA-N 281.264 0.412 10 10 CCCE C[C@H](c1ccc(O)cc1O)N1C[C@@H](O)[C@@H](CC(=O)O)C1 2174350954 HUDONLLTSPHOPF-VYUIOLGVSA-N 281.308 0.926 10 10 CCCE COC(=O)[C@](C)(N)[C@@H](O)c1ccc2c(c1)CCCN2C 2178479275 YVLRLJLHCWPVGW-DZGCQCFKSA-N 278.352 0.993 10 10 CCCE O=C(N[C@@H]1CO[C@@]2(CCOC2)C1)c1cccc(O)c1O 2178989373 MUWKPINPSUXGPV-XPTSAGLGSA-N 279.292 0.776 10 10 CCCE O=C(NCc1nnc(CO)s1)c1cc(O)c(O)c(O)c1 2192594315 PLRYLEUDYOCSSC-UHFFFAOYSA-N 297.292 0.077 10 10 CCCE COc1cc2c(cc1OC)N([C@@H]1CC(=O)NC1=O)CC2 2195871426 UPIRTOAXTIHXMY-SNVBAGLBSA-N 276.292 0.481 10 10 CCCE CN(C(=O)c1cc(O)c(O)c(O)c1)[C@H]1C[C@@H](C(N)=O)C1 2188868408 QNNKBYYFKCRSRG-WRXNHJIOSA-N 280.280 0.139 10 10 CCCE CN(CCc1cnc[nH]1)C(=O)c1cc(O)c(O)c(O)c1 2188925705 VTSTZLQXDPSTMG-UHFFFAOYSA-N 277.280 0.841 10 10 CCCE O=C1NCC[C@H]1CNC(=O)[C@H]1CNc2ccccc2N1 2196742740 ANOBVTVZJZRIII-JOYOIKCWSA-N 274.324 0.145 10 10 CCCE CC[C@@H]1C(=O)NC(=O)CN1c1ccc2c(c1)CC[C@@H]2O 2184735501 HKOXPZNIPRLYPK-OLZOCXBDSA-N 274.320 0.908 10 10 CCCE Cc1cccc(O)c1CNCCCCS(N)(=O)=O 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10 CCCE NC[C@H]1CO[C@H](CNC(=O)c2ccc(O)c(O)c2)C1 2101331238 ITEHYEQRMSTPMA-WPRPVWTQSA-N 266.297 0.191 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1C[C@H](O)C12CCC2 2081652898 NLKVBNYTGLIZSR-QMMMGPOBSA-N 250.254 0.232 10 10 CCCE COc1cc(N2C[C@H](O)C[C@@H](O)C2)ccc1CN 2084014821 XGMZJAWMYPGVBF-VXGBXAGGSA-N 252.314 0.086 10 10 CCCE COc1ccc(N2CC[C@@](N)(C(=O)O)C2)cc1C 2085634648 GRWKRCCZGSGPGF-ZDUSSCGKSA-N 250.298 0.996 10 10 CCCE O=C(NCc1ccccc1O)[C@@H]1C[C@H]2OCC[C@H]2N1 2087279074 UTTMFUSWDKBMAM-NTZNESFSSA-N 262.309 0.528 10 10 CCCE CN1CCCc2cc(CNN3CCNCC3)ccc21 2089376631 QSOOTOMLHHTMQN-UHFFFAOYSA-N 260.385 0.979 10 10 CCCE C[C@H](O)c1ccc(N2C[C@H](O)[C@H](N(C)C)C2)c(F)c1 2089923937 RTSVPFZWFSSNKQ-FZZIBODNSA-N 268.332 0.990 10 10 CCCE CNC(=O)[C@@H]1[C@H](C)CCN1Cc1cc(N)ccc1O 2090259332 PJRRWFFJYSGJSQ-RNCFNFMXSA-N 263.341 0.931 10 10 CCCE CN1CCN(c2ccc3c(c2)NC(=O)[C@@H]3O)[C@H]2C[C@@H]21 2112102262 ROIHWKUOCXCIQK-RWMBFGLXSA-N 259.309 0.565 10 10 CCCE O=C1CC[C@@H]2CN(C(=O)c3cc(O)nc(O)c3)C[C@H]12 2092949889 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CCCE Cc1ccc(O)c([C@H](C)N2CC(O)(C(=O)O)C2)c1 2081050153 RWWRYWLKDBLVDS-VIFPVBQESA-N 251.282 0.893 10 10 CCCE CNC(=O)OCCNC(=O)COc1ccc(N)cc1 2104893929 FSLVWKIOCUTUPT-UHFFFAOYSA-N 267.285 0.120 10 10 CCCE O=C(N[C@H]1CC[C@@H]1C(=O)O)c1cc(O)nc(O)c1 2085037197 YPUYDXWZUNKWKO-BQBZGAKWSA-N 252.226 0.086 10 10 CCCE COc1cccc(O)c1CNC[C@]1(C)CC(=O)N1 2085319447 WDHSIINQZKGLTA-ZDUSSCGKSA-N 250.298 0.769 10 10 CCCE C[C@H](CC(N)=O)N(C)C(=O)COc1ccc(N)cc1 2094986969 KIWGUKWDCPNAFR-SECBINFHSA-N 265.313 0.370 10 10 CCCE Nc1ccc(OCC(=O)N2C[C@H](O)C(F)(F)C2)cc1 2095746663 YFWRIRIUZXSPQR-JTQLQIEISA-N 272.251 0.486 10 10 CCCE COCCN(C)C1CN(c2ccc(CO)c(OC)c2)C1 2204549604 TYSVXYYNGXBAAT-UHFFFAOYSA-N 280.368 0.954 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1[C@H]2CCC[C@@H]1CNC2 2234676591 RBASRCIRNAWMDE-TXEJJXNPSA-N 276.336 0.993 10 10 CCCE COc1ccc(N2C[C@H]3C[C@H](O)[C@@H](O)[C@H]2C3)c(CO)c1 2236002146 LPKDGPABYYWDPY-FHOOGIDHSA-N 279.336 0.508 10 10 CCCE O[C@H]1CCN(c2ccc3c(c2)OCCCO3)C[C@H]1O 2226813171 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COc1ccc(N2CC[C@@](O)(C(N)=O)C2)c2c1CCC2 2284606372 LGWSUOLDZZYBFI-HNNXBMFYSA-N 276.336 0.610 10 10 CCCE N[C@H]1C[C@@]2(C[C@@H]2C(=O)NCCc2ccc(O)c(O)c2)C1 2296597493 CKXTUUAWCWILBW-UEKVPHQBSA-N 276.336 0.884 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CCC[C@@H](CO)C1 586731301 RXAQGZKICJTCIH-MRVPVSSYSA-N 267.281 0.648 10 10 CCCE COc1cccc(O)c1CNCC[C@H](O)CCO 2326771119 VWMPJLYXQTWVOR-JTQLQIEISA-N 255.314 0.624 10 10 CCCE [N-]=[N+]=NC[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)O)O2)C1 2333613298 SSLCRIMRPSXYKD-HLTSFMKQSA-N 268.273 0.777 10 10 CCCE N[C@H]1CCc2cc(N3C[C@@H]4[C@H](C3)CS4(=O)=O)ccc21 2336340532 MFXUHLPBSSQQPR-DDTOSNHZSA-N 278.377 0.866 10 10 CCCE Oc1ccc(CNC[C@@H]2C[C@@H]3C[C@H]2[C@@H](O)[C@H]3O)c(O)c1 2355455621 AQOZUCUTAPGYOY-UCTJBKIYSA-N 279.336 0.565 10 10 CCCE CN1C(=O)CC[C@@H](Nc2c(N)cccc2F)C1=O 306071226 CCVMCTSDDYBIAM-SECBINFHSA-N 251.261 0.967 10 10 CCCE COc1ccc(N(C)C[C@H](NC2CC2)C(N)=O)cc1 49972137 HCFKHFBHWLBQRW-ZDUSSCGKSA-N 263.341 0.737 10 10 CCCE Nc1ccc(NC(=O)CCCN2C(=O)COCC2=O)cc1 41074483 RRXFJTBPFVADST-UHFFFAOYSA-N 291.307 0.373 10 10 CCCE O=C(O)[C@H]1CSCN1C(=O)c1ccc(O)c(O)c1 236445497 MHYSXWWPEZXXFD-SSDOTTSWSA-N 269.278 0.698 10 10 CCCE CCOC(=O)[C@H](NCCN=[N+]=[N-])c1cnn(C)c1 90257355 MGXYGTIRJMNZRQ-SECBINFHSA-N 252.278 0.924 10 10 CCCE CN(CCC(N)=O)C(=O)[C@@H]1CNc2ccccc2N1 382008476 ZAHOBUWGSFCDDT-NSHDSACASA-N 262.313 0.226 10 10 CCCE CC(=O)C(=O)COC(=O)c1cnc2c(cnn2C)c1 808523959 XVLYCCLRTWVSAL-UHFFFAOYSA-N 261.237 0.283 10 10 CCCE CN1CCN(C)[C@H]([C@@H](N)c2ccc3c(c2)CCN3C)C1 2163077194 ULQTZRCMCBNJJT-HOTGVXAUSA-N 274.412 0.925 10 10 CCCE CN1CCN(Cc2cc(C=O)cc(O)c2O)CC1 642880211 LQCKZJSSRRINOU-UHFFFAOYSA-N 250.298 0.658 10 10 CCCE C[C@@H](N)c1ccc(N2CC(NS(=O)(=O)C3CC3)C2)cc1 2165631074 SZSNUVDJJVDVEE-SNVBAGLBSA-N 295.408 0.977 10 10 CCCE C[C@]1(CN)CCN(CC(=O)c2ccc(O)c(O)c2)C1 394241638 PQZDATMBTSKFLY-CQSZACIVSA-N 264.325 0.951 10 10 CCCE CN1C[C@H](CNCc2ccc(O)c(O)c2O)CC1=O 723540985 XPKZOSWFLYYJCP-QMMMGPOBSA-N 266.297 0.371 10 10 CCCE Nc1ccc(COn2c(=O)c(=O)oc3c(N)cccc32)cc1 821297906 YVSOANNEPZHHAF-UHFFFAOYSA-N 299.286 0.748 10 10 CCCE CC[C@@H]1C[C@H](O)CN1C(=O)c1cc(O)c(O)c(O)c1 2132403391 JKYROHLKJVUKAF-BDAKNGLRSA-N 267.281 0.789 10 10 CCCE Cc1ccc(O)c(CNC(=O)[C@@]2(C)C[C@@H](O)CN2C)c1 913000888 YVTHDKXYZVMRGL-IUODEOHRSA-N 278.352 0.772 10 10 CCCE CC(=O)c1cc(F)cc(CN2CCNCCNCC2)c1O 923466070 IKQCKVBTEQJQSY-UHFFFAOYSA-N 295.358 0.729 10 10 CCCE O=CN1CCC[C@@H]1C(=O)NCc1c(O)cccc1F 928705028 CHLXAQVTXLILGF-LLVKDONJSA-N 266.272 0.768 10 10 CCCE [N-]=[N+]=NCCn1ncc(N2CCOCC2)cc1=O 165583053 ZIRUJFBCYDJNFF-UHFFFAOYSA-N 250.262 0.390 10 10 CCCE CCOc1ccc(O)c(CN[C@@H]2COC[C@@H]2O)c1 865666361 DYZPBWJCOKMFJT-YPMHNXCESA-N 253.298 0.640 10 10 CCCE C[C@@H](NC(=O)[C@H]1COCCN1C)c1ccccc1O 1877572641 ZVURVTBLWPMDMJ-ZYHUDNBSSA-N 264.325 0.900 10 10 CCCE O[C@H](CF)CNCc1ccc(N2CCOCC2)cc1 1963631320 VIPXPDSKLDFQGZ-CQSZACIVSA-N 268.332 0.943 10 10 CCCE O=C(O)C1=C[C@H](c2ccccc2O)NC(=S)N1 76259983 PHLYYRRWONGOBR-SSDOTTSWSA-N 250.279 0.880 10 10 CCCE Cn1cc([N+](=O)[O-])c(C(=O)NCc2c(O)cccc2O)n1 1178911591 NSDRRXTYIXIOJI-UHFFFAOYSA-N 292.251 0.670 10 10 CCCE CN(C)C[C@H](N)C(=O)N(C)Cc1ccccc1O 702350787 LISWOKUMVBJKFT-NSHDSACASA-N 251.330 0.240 10 10 CCCE O=S1(=O)CC[C@@H](NCc2ccc(F)c(F)c2O)C1 703257176 NHXXQQIRGFTFPA-MRVPVSSYSA-N 277.292 0.947 10 10 CCCE O=C(O)[C@H]1CC[C@H](C(=O)O)N1c1ccc2c(c1)OCO2 703453896 FJYLNPKWTANWRL-RKDXNWHRSA-N 279.248 0.922 10 10 CCCE CCN(CCN(C)S(C)(=O)=O)Cc1ccc(N)cc1 706546368 FEICISAYTPYTPR-UHFFFAOYSA-N 285.413 0.982 10 10 CCCE CN(C(=O)Cc1ccc(N)cc1)C1CC(S(C)(=O)=O)C1 716114737 IMSQHSFOMMQHGM-UHFFFAOYSA-N 296.392 0.845 10 10 CCCE CC[C@@H]1C(=O)NC(=O)CN1CCOc1ccc(N)cc1 97317912 TUBDKRQFISLMAW-GFCCVEGCSA-N 277.324 0.385 10 10 CCCE NC(=O)c1ccc(CNC(=O)Cc2ccc(O)c(O)c2)o1 1294337981 SZWOZVTYIMYGHE-UHFFFAOYSA-N 290.275 0.649 10 10 CCCE Nc1cccc(C(=O)O)c1N[C@H]1[C@H]2CS(=O)(=O)C[C@H]21 2118019631 UZYBPCBWHZJECV-DIYOJNKTSA-N 282.321 0.422 10 10 CCCE NC(=O)c1cccc(C(=O)NCc2c(O)cccc2O)n1 1472063872 QVZZNZXHLRKZTR-UHFFFAOYSA-N 287.275 0.522 10 10 CCCE Nc1ccc(CCCN2C[C@@H]3NC(=O)O[C@@H]3C2)cc1 2120394109 JLMXVZMJUWNWEA-QWHCGFSZSA-N 261.325 0.994 10 10 CCCE CON(C)C(=O)CNC(=O)/C=C/c1ccc(O)c(O)c1 1638304105 OZRZDIROJAYHTK-GQCTYLIASA-N 280.280 0.247 10 10 CCCE C[C@@H]1[C@@H](O)CCN1C(=O)[C@@H]1CNc2ccccc2N1 1914430962 SLCKJNKIKAVASY-ICCXJUOJSA-N 261.325 0.874 10 10 CCCE Nc1ccc(CC(=O)N2C[C@@H](N)C[C@@]23CCOC3)cc1 1964451070 TZEXNKZDONGOQC-DZGCQCFKSA-N 275.352 0.530 10 10 CCCE CC(C)(C)C(=O)NCCNC(=O)c1cc(O)c(O)c(O)c1 169839085 URZXEFKQZJZNNX-UHFFFAOYSA-N 296.323 0.696 10 10 CCCE Nc1ccc(NC(=O)CCCN2CCOC[C@@H]2CO)cc1 167981890 HRULCILQZAWIOG-AWEZNQCLSA-N 293.367 0.681 10 10 CCCE OCC1(O)CCN(c2ccc3c(c2)CC[C@@H]3O)CC1 2128314346 FMHITVRMPQWHAE-AWEZNQCLSA-N 263.337 0.990 10 10 CCCE C[C@@H](N)c1ccc(N(C)C[C@@]2(O)CCOC2)cc1O 2129433609 ILEOVGIMXURJTA-YGRLFVJLSA-N 266.341 1.000 10 10 CCCE Cc1ccc(O)c(CNCCC(=O)N2CCNCC2)c1 1857864406 MSSNZIIDFDKRRS-UHFFFAOYSA-N 277.368 0.612 10 10 CCCE CC(C)(C)NC(=O)c1nnn(-c2ccc(N)cc2)n1 1857879209 YZRYVXYBQRHPGG-UHFFFAOYSA-N 260.301 0.773 10 10 CCCE O=C(O)[C@@]1(CO)CCN(Cc2ccc(F)cc2O)C1 2139766266 SSAAMULWCKUCEW-ZDUSSCGKSA-N 269.272 0.800 10 10 CCCE CCO[C@H]1CNCC[C@]1(NCCCN=[N+]=[N-])C(=O)O 1912147423 IQFQKEOHZOIXNT-GXSJLCMTSA-N 271.321 0.498 10 10 CCCE C[C@H](O)c1ccc(N2C[C@H](O)[C@H](O)[C@H]2CF)cc1O 2140661810 IWBUYCBXJAIENB-VFHFYPCJSA-N 271.288 0.325 10 10 CCCE NCC[C@@H](F)C(=O)NCCc1ccc(O)c(O)c1 1968739279 NRCNEIYZFHVHOD-SECBINFHSA-N 256.277 0.443 10 10 CCCE C[C@H]1NCC[C@@H]1C(=O)NCCc1ccc(O)c(O)c1 1968739825 XKVORANHWSQQBF-KOLCDFICSA-N 264.325 0.755 10 10 CCCE COc1cccc(CNC2(C)CS(=O)(=O)C2)c1O 1918404183 CMLXFVMLQCYZTF-UHFFFAOYSA-N 271.338 0.678 10 10 CCCE CC(C)CCN(CCO)C(=O)c1cc(O)nc(O)c1 1924499692 RXLKQSXKUOIFFQ-UHFFFAOYSA-N 268.313 0.973 10 10 CCCE Nc1ccc(CC(=O)NC[C@H](N)C(F)(F)F)cc1 1967181127 WLCKCPDXPLDARO-VIFPVBQESA-N 261.247 0.817 10 10 CCCE O=C(O)[C@@H]1[C@@H](O)[C@@H](O)CN1Cc1ccc(Cl)cc1O 2136095968 NEVWJKLOBVGKAM-DCAQKATOSA-N 287.699 0.036 10 10 CCCE C[C@@H](N)c1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3C(N)=O)cc1O 2136609767 BFJRKSRIYBXKFG-XDRUHAPNSA-N 261.325 0.579 10 10 CCCE Cc1noc(NC(=O)[C@@H](N)Cc2ccc(O)c(O)c2)n1 126996329 WPRRRSBUWLHEHY-QMMMGPOBSA-N 278.268 0.298 10 10 CCCE C[C@H](CO)CN(C)C(=O)Cc1ccc(O)c(O)c1 1970140955 NZHUKYRBVZOEOE-VIFPVBQESA-N 253.298 0.727 10 10 CCCE CO[C@@H](C(=O)O)C1(c2cc(O)c(O)c(O)c2)CC1 1952743717 NRSLGNHRVLXHJV-JTQLQIEISA-N 254.238 0.935 10 10 CCCE C[S@](=O)(=NC(=O)Cc1ccc(N)cc1)[C@@H]1CCNC1 1972974610 ODGFARPIUTYALK-CWTRNNRKSA-N 281.381 0.798 10 10 CCCE CCOC(=O)C[C@H](N)[C@@H](O)c1ccc(O)c(O)c1 259737322 PICSXCZUWQVMFQ-UFBFGSQYSA-N 255.270 0.412 10 10 CCCE COC(=O)CC[C@H](N)c1ccc(S(C)(=O)=O)cc1O 260472625 CSAPOKPJNDEIQU-JTQLQIEISA-N 287.337 0.749 10 10 CCCE C[C@H](O)CNC(=O)c1ccn(-c2ccc(N)cc2)n1 35599078 SSBSCNKHQISOGD-VIFPVBQESA-N 260.297 0.565 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3CC(N(C)OC)C3)ccc21 2144641969 DPNYBBHHXNGQDM-ZDUSSCGKSA-N 276.340 0.581 10 10 CCCE CN[C@@H](c1ccccc1O)[C@@]1(O)CCCS(=O)(=O)CC1 2148166376 WWAXTTCYUKFYJH-UONOGXRCSA-N 299.392 0.983 10 10 CCCE CNCCS(=O)(=O)N[C@@H](C)c1ccccc1O 2017519949 AAQUPMRMAJZZIQ-VIFPVBQESA-N 258.343 0.592 10 10 CCCE NCc1ccc(N2C[C@H](O)[C@H]3COC[C@@H]32)cc1Cl 2040601655 XIOYDOUOQBMELW-DRZSPHRISA-N 268.744 0.995 10 10 CCCE CSCCC(=O)N(CC(N)=O)Cc1ccc(N)cc1 70435252 WRYWIICZFLEUFF-UHFFFAOYSA-N 281.381 0.836 10 10 CCCE COc1ccc(N(CCCN)CC(C)(CO)CO)cc1 313624106 YQJHDFQOLMSWIE-UHFFFAOYSA-N 282.384 0.841 10 10 CCCE O=C(NC[C@@H]1C[C@@H]2CC[C@H](C1)N2)c1cc(O)nc(O)c1 2159693265 QBRBHELGJCJYKM-GUDFOSOFSA-N 277.324 0.753 10 10 CCCE O=C(c1cccc(O)c1O)N1CC[C@@](CO)(C(=O)O)C1 2159952336 VOILBSFPCWKVMF-CYBMUJFWSA-N 281.264 0.007 10 10 CCCE C[C@H](NCc1c(O)cccc1F)C(=O)N1CCOCC1 2160791726 BMZVAUQUKGQGMG-JTQLQIEISA-N 282.315 0.868 10 10 CCCE [N-]=[N+]=N[C@H]1CCCN(C(=O)CCSCC(N)=O)C1 701287722 XCOLQBQCFPLSDQ-QMMMGPOBSA-N 271.346 0.896 10 10 CCCE Nc1cc2c(cc1N(C1CC1)C1COC1)NC(=O)CO2 2161350691 FWNJZPDKBHWYDB-UHFFFAOYSA-N 275.308 0.967 10 10 CCCE Nc1ccc(OCCC(=O)N[C@H]2CCOC[C@H]2O)cc1 706773001 UTBUBLVEGYRSKM-QWHCGFSZSA-N 280.324 0.304 10 10 CCCE CN(CCC(N)=O)c1cc2c(cc1N)OCCO2 382001504 SFRYWQHPTXMBOJ-UHFFFAOYSA-N 251.286 0.352 10 10 CCCE Nc1ccc(CCN2C[C@H]3C(=O)NC(=O)[C@@H]3C2)cc1 386922525 DSEVYXRAXVCLHA-VXGBXAGGSA-N 259.309 0.016 10 10 CCCE Cc1cc(CO)ccc1N1CC(NS(=O)(=O)C2CC2)C1 2165624729 MILDHWCZLXSLNO-UHFFFAOYSA-N 296.392 0.758 10 10 CCCE Nc1ccc(CCN2CCC3(CC2)CNC(=O)N3)cc1 2177692311 VGQGKKUSEBTNJO-UHFFFAOYSA-N 274.368 0.959 10 10 CCCE COc1cccc(CNCC2[C@@H]3CS(=O)(=O)C[C@@H]23)c1O 2174615494 RFRGLFFDOIORJW-RYUDHWBXSA-N 297.376 0.781 10 10 CCCE C[C@H](CC(N)=O)n1cc(COc2ccc(N)cc2)nn1 2179342567 BRUAHLUSJQEXQS-SECBINFHSA-N 275.312 0.876 10 10 CCCE CN(Cc1c(O)cccc1Cl)CC1(O)CNC1 2250120002 XFMPOSMRXWVFQL-UHFFFAOYSA-N 256.733 0.812 10 10 CCCE O=C(NC[C@@]12CNC[C@H]1CCO2)c1cccc(O)c1O 2175202181 KVGHEHNRQOZOJY-OTYXRUKQSA-N 278.308 0.206 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@H](O)CC2(CC2)C1 2188868582 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CCc1nn[nH]c1CNC(=O)c1ccc(O)c(O)c1 2274595101 QHHHUIJWHCTJOJ-UHFFFAOYSA-N 262.269 0.708 10 10 CCCE O=C(c1cccc(O)c1O)N1CC[C@H](O)[C@H](O)CC1 2269095290 MFMNLNAWNBLQBJ-AOOOYVTPSA-N 267.281 0.056 10 10 CCCE Cc1cc(N2CC3(C2)OC[C@@H](O)[C@@H]3O)ccc1[C@@H](C)O 2285173532 ODOUCYJBNFGUQO-HONMWMINSA-N 279.336 0.359 10 10 CCCE Cn1ccc(=NCc2ccc(N3CCNCC3)cc2)[nH]1 2286065582 LIDWGJXWWLGHSD-UHFFFAOYSA-N 271.368 0.864 10 10 CCCE CC[C@@H](C)[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)C(N)=O 2296343019 DUWKPDFBHXSCLV-LHLIQPBNSA-N 282.296 0.433 10 10 CCCE CN(C)c1ccc(CNC(=O)CN[C@H]2CCOC2)cc1 2288215068 YJELSRPGJGCZJS-ZDUSSCGKSA-N 277.368 0.747 10 10 CCCE CN1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)c(O)c(O)c1 1270069810 QYYWOKVEIVTXLP-AOOOYVTPSA-N 278.308 0.722 10 10 CCCE C[C@H](N)CNC(=O)C=Cc1ccc(N2CCOCC2)cc1 2312452696 ZEENVBDNHPLUNU-ZDUSSCGKSA-N 289.379 1.000 10 10 CCCE Nc1ccc(O)c(CN2C[C@@H](O)[C@@H]3COC[C@@H]32)c1 2308658161 LUIPYCHEEUKTFW-NTZNESFSSA-N 250.298 0.166 10 10 CCCE NCc1ccc(N2C[C@@H]3[C@H](C2)CS3(=O)=O)cc1F 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CCCE CC(=O)C(=O)COC(=O)c1c(C)nn2cccnc12 808507075 YATSARWEVFYDKH-UHFFFAOYSA-N 261.237 0.353 10 10 CCCE CCCN(CC(=O)NC)c1ccc2c(c1)NC(=O)[C@@H]2N 723184032 XTVURNGPJCUSHD-CYBMUJFWSA-N 276.340 0.601 10 10 CCCE CN(CCOCCO)c1ccc(CO)c([N+](=O)[O-])c1 2132054089 ODUQQSAFEWDVLX-UHFFFAOYSA-N 270.285 0.532 10 10 CCCE CN(c1ccc(CO)c([N+](=O)[O-])c1)[C@@H]1COC[C@@H]1O 2132057819 JCBLIJOSCPTDPS-NEPJUHHUSA-N 268.269 0.283 10 10 CCCE C[C@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)C[C@@H]1CN 2132414247 VJNZFQYIILFNJO-CBAPKCEASA-N 266.297 0.470 10 10 CCCE COCC[S@@](C)(=O)=NC(=O)c1cc(O)c(O)c(O)c1 2132417966 GWIKGRLOCMIAPJ-LJQANCHMSA-N 289.309 0.688 10 10 CCCE NC(=O)[C@H]1CCCCN1C(=O)/C=C\c1ccc(O)c(O)c1 588406287 FYNVGYKATGMJRO-JPVGGKMYSA-N 290.319 0.977 10 10 CCCE CO[C@@H](C(=O)NCCc1ccc(O)c(O)c1)[C@@H]1CCOC1 830531988 QGIHKHOYQZGJIT-BXUZGUMPSA-N 295.335 0.808 10 10 CCCE COc1cccc([C@@H](C)N[C@H]2CCNC2=O)c1O 850482537 TVSYMMUKNQAJOF-SCZZXKLOSA-N 250.298 0.940 10 10 CCCE CO[C@@H]1CNCC[C@@H]1NC(=O)Cc1ccc(N)cc1 1876444740 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CCS(=O)(=O)NCCNCc1c(O)cccc1F 1964032122 HHTABOVPHLYIOR-UHFFFAOYSA-N 276.333 0.560 10 10 CCCE CN1CCOc2ccc(N3CCNCC3)cc2C1=O 107254781 JYPFSBNDYIHPEP-UHFFFAOYSA-N 261.325 0.561 10 10 CCCE Nc1ccc(CCN2CC[C@@]3(CNC(=O)N3)C2)cc1 2121199229 SOQOSLFWDFLRIN-CQSZACIVSA-N 260.341 0.569 10 10 CCCE CN1C[C@@H](CCNC(=O)Cc2ccc(O)c(O)c2)CC1=O 1558399198 TUWXPQRXLIQVCX-NSHDSACASA-N 292.335 0.625 10 10 CCCE O=C(NCc1ccc(O)cc1O)[C@H]1CCS(=O)(=O)C1 1639441041 HEEZICXNCQGFBS-VIFPVBQESA-N 285.321 0.149 10 10 CCCE C[C@@H](CC(N)=O)C(=O)NCc1ccc(O)cc1O 1643104103 MMRXTBUOMOBVBF-ZETCQYMHSA-N 252.270 0.226 10 10 CCCE O=C(O)[C@]1(O)CCN(Cc2cc(F)ccc2O)C1 1964717271 JOWSYXAQMQARNN-LBPRGKRZSA-N 255.245 0.553 10 10 CCCE O=C1NC(=O)/C(=C/c2ccc(N3CCOCC3)cc2)N1 2494909 RNHHUSWFOYGKKW-XFXZXTDPSA-N 273.292 0.704 10 10 CCCE COc1ccc(N2C[C@@H](C)NC(=O)[C@@H]2CCN)cc1 251682933 MNUYQODTFXACNT-MFKMUULPSA-N 263.341 0.737 10 10 CCCE Nc1ccc(OCCNC(=O)C=CC(=O)O)cc1 1911794597 LYOGWDYPTCZUKL-UHFFFAOYSA-N 250.254 0.405 10 10 CCCE Nc1ccc(CS(=O)(=O)N=S2(=O)CCC2)cc1 1913852598 FUSYSUABRQYJHT-UHFFFAOYSA-N 274.367 0.970 10 10 CCCE [N-]=[N+]=NCCNC1(C(N)=O)CC([C@@H]2CCOC2)C1 1912160909 BVFCFKQDYBNYHY-FKTRJACZSA-N 253.306 0.557 10 10 CCCE COC(=O)[C@H](C)S(=O)(=O)N1CCC[C@@H](CN=[N+]=[N-])C1 1912167328 JTEDUUQSUVOIEH-IUCAKERBSA-N 290.345 0.900 10 10 CCCE Cn1cc(C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)nc1O 1912178171 MDDRBCBJJUXLIY-ZETCQYMHSA-N 250.262 0.898 10 10 CCCE CCOCCS(=O)(=O)N(CC)CCN=[N+]=[N-] 1900607644 OUUBCAUQRKFKAL-UHFFFAOYSA-N 250.324 0.985 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N(C)C(C)(C)C(N)=O)cc21 1915545410 UAMNDOPUPXYAAX-LLVKDONJSA-N 276.340 0.363 10 10 CCCE CN1C(=O)[C@H](O)c2ccc(N(C)C(C)(C)C(N)=O)cc21 1915544089 GVKFBMIMNKTBPL-LLVKDONJSA-N 277.324 0.397 10 10 CCCE NCCc1nnc(NC(=O)Nc2ccc(N)cc2)o1 2138795380 WHPGDGZODRYIEY-UHFFFAOYSA-N 262.273 0.797 10 10 CCCE O=C(NCCC(=O)N1CCCC1)c1ccc(O)c(O)c1 227013769 QHEHGORUSNACRO-UHFFFAOYSA-N 278.308 0.840 10 10 CCCE C[C@@H]1OCC[C@]1(O)CNC(=O)Cc1ccc(N)cc1 227096209 SQMSZLBFTAJJER-HZMBPMFUSA-N 264.325 0.467 10 10 CCCE CC(=O)C(=O)[C@]1(O)C[C@@H]2[C@H]1CCN2C(=O)OC(C)(C)C 1933963410 OCMIXQWBCXEUBL-RULNRJAQSA-N 283.324 0.905 10 10 CCCE C[C@H](O[C@@H](C)C(=O)NCc1ccccc1O)C(=O)O 2142347037 FLZPTDUPMPVPPG-IUCAKERBSA-N 267.281 0.887 10 10 CCCE COc1ccc(N2CCN([C@@H]3COC[C@H]3N)CC2)cc1 2146790363 BVPLISIEDKEJKF-HUUCEWRRSA-N 277.368 0.543 10 10 CCCE CCOC(=O)[C@H](N)C1(c2cc(O)c(O)c(O)c2)CC1 1952543531 TVPIOWQDCTZNRY-NSHDSACASA-N 267.281 0.725 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3CC[C@H](O)[C@H](F)C3)cc21 2144572530 YWRGAEYMGSBQLN-KGYLQXTDSA-N 279.315 0.572 10 10 CCCE CC1(CNS(=O)(=O)Cc2ccc(N)cc2)OCCO1 1989370894 DREPVOUPFDFYTE-UHFFFAOYSA-N 286.353 0.451 10 10 CCCE CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[C@@H](O)CN1 37801168 RVUSTMSBYUFNEY-ZIAGYGMSSA-N 277.368 0.434 10 10 CCCE CCc1cc(Cn2ccc3c(c2=O)CNCC3)n(C)n1 2150795831 QKPCIHGTHZRIFJ-UHFFFAOYSA-N 272.352 0.838 10 10 CCCE Nc1ccc(OCC(=O)NC[C@H]2COCCO2)cc1 40305969 OMAWGNHKFXQVBO-LBPRGKRZSA-N 266.297 0.179 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N(C)[C@H](C)CC(N)=O)ccc21 2151340073 INCYGGCGMTWIQW-OQPBUACISA-N 276.340 0.599 10 10 CCCE CCN(Cc1ccc(N(C)C)cc1)C(=O)C1(N)COC1 2153505958 DKNPJASJTKGNBO-UHFFFAOYSA-N 277.368 0.829 10 10 CCCE CN1CCO[C@@H]2CN(c3c(F)cc(CO)cc3F)C[C@H]21 2153982235 FIYIQZHLJYRQQI-CHWSQXEVSA-N 284.306 0.976 10 10 CCCE C[C@]1(NC(=O)c2ccc(O)c(O)c2)CCCNC1 2027844819 FHHIWOUNGFIQTL-ZDUSSCGKSA-N 250.298 0.970 10 10 CCCE C[C@H](O)CN(CCO)CCCc1ccc(N)cc1 2030141787 LGUISZQGWCTDRF-LBPRGKRZSA-N 252.358 0.877 10 10 CCCE CN(C[C@H]1CCNC1)C(=O)c1cc(O)nc(O)c1 2036982873 SWRWQXLNWPVYTA-QMMMGPOBSA-N 251.286 0.174 10 10 CCCE C[C@@H]1CN(C)CCN1c1ccc2c(c1)N(C)C(=O)[C@H]2N 300549042 ONUNHTLQGZKWQF-YGRLFVJLSA-N 274.368 0.803 10 10 CCCE CC(=O)NCCN(C)C(=O)[C@@H]1CNc2ccccc2N1 308191335 NWBNXHSKQJESHG-ZDUSSCGKSA-N 276.340 0.487 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CCO[C@@H]2CCNC[C@@H]21 404181757 HRVSDNDKEMQXKF-GXFFZTMASA-N 278.308 0.301 10 10 CCCE CNCc1ccc(N2C[C@@H](OC)C[C@H]2CO)cc1 311069864 CVWXPDRAXTVTBV-KBPBESRZSA-N 250.342 0.992 10 10 CCCE C[C@@H]1C[C@]1(CNC(=O)Cc1ccc(O)c(O)c1)C(=O)O 2157423303 XRWDCHQTHDXWPE-XLKFXECMSA-N 279.292 0.867 10 10 CCCE O=C1Nc2cc(N3CCC[C@](F)(CO)C3)ccc2[C@H]1O 2157519873 IBNJOGYCJHYZQC-TZMCWYRMSA-N 280.299 0.973 10 10 CCCE O=C(O)CC1(O)CCN(Cc2ccc(O)c(O)c2)CC1 2160874362 HFGLDXWOQHBQNS-UHFFFAOYSA-N 281.308 0.899 10 10 CCCE C[C@H](c1ccccc1O)N(C)C(=O)[C@H](N)CN(C)C 702377245 KDGUIVYHFYHPPK-ZYHUDNBSSA-N 265.357 0.801 10 10 CCCE C[C@@H]1C[C@H](OC(=O)[C@@H](N)Cc2ccc(O)c(O)c2)CO1 2172343202 HPZZLIUWLZGDSX-MIMYLULJSA-N 281.308 0.688 10 10 CCCE CON(C(=O)Cc1ccc(O)c(O)c1)C1CCNCC1 2172484532 DNSKOQUKDQLLDW-UHFFFAOYSA-N 280.324 0.782 10 10 CCCE CCN(CCN(C)C)S(=O)(=O)Cc1ccc(N)cc1 708491344 BFCLFXCUADDNGJ-UHFFFAOYSA-N 285.413 0.982 10 10 CCCE C[C@H]1CC(=O)NCCN1c1ccc(CN)c(F)c1 687912312 GRYKSPBWSIPVBB-VIFPVBQESA-N 251.305 0.999 10 10 CCCE Cn1cc(C(=O)N2CCC[C@H](N=[N+]=[N-])C2)n(C)c1=O 710420579 BQQXMCDPDIZRSZ-QMMMGPOBSA-N 264.289 0.639 10 10 CCCE CN(C)[C@@H]1CCC[C@](NCCN=[N+]=[N-])(C(N)=O)C1 715206770 DRXWFXWGXQZMRK-MWLCHTKSSA-N 254.338 0.615 10 10 CCCE C[C@@H]1CN(c2ccc3c(c2)N(C)C(=O)[C@H]3N)C[C@H]1O 388049630 KJWUIEOICXMHSQ-WQHBLYJGSA-N 261.325 0.480 10 10 CCCE CO[C@@H]1C[C@@H](CN)N(C(=O)c2cccc(O)c2O)C1 388994781 TUUXEKXCMQOXTL-DTWKUNHWSA-N 266.297 0.286 10 10 CCCE Cc1cc(N2CC[C@H](O)[C@@H](CO)C2)ccc1CN 396907140 ZZKHSEGRDSWCTN-OCCSQVGLSA-N 250.342 0.633 10 10 CCCE C[C@H](O)C[C@@H](C)CNC(=O)c1cc(O)nc(O)c1 397643208 BOSAODASTLEFLT-SFYZADRCSA-N 254.286 0.630 10 10 CCCE CC(C)Oc1nc(=N)[nH]c(=NCc2ccccc2O)[nH]1 2173729409 ROIAYAJPOFHPTG-UHFFFAOYSA-N 275.312 0.811 10 10 CCCE OC[C@H](NCc1cc2c(cc1O)OCO2)C1CC1 734160465 BMJJCOZAAHUAQO-JTQLQIEISA-N 251.282 0.981 10 10 CCCE CC[C@@H]1CN(C[C@H](O)COc2ccc(N)cc2)C[C@@H]1O 399901904 NNEVJYYCRJBUCC-ZLDLUXBVSA-N 280.368 0.711 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@H]2C[C@H](CO)[C@@H]3C[C@@H]23)cc1 2166866287 POFYHIVDLZGKNX-YXCITZCRSA-N 296.392 0.705 10 10 CCCE CN1C(=O)[C@@H](O)c2ccc(N3CC4(CC[C@H]4O)C3)cc21 2179696214 AGEBKDAYYGJRPA-OLZOCXBDSA-N 274.320 0.658 10 10 CCCE CN1C(=O)CO[C@H]2CCN(c3ccc(CO)cc3)C[C@H]21 2185572086 VCAZLSKRRAIXJM-KGLIPLIRSA-N 276.336 0.615 10 10 CCCE NC(=O)[C@H]1CCC[C@@H]1NCc1cccc(O)c1O 2053790310 WYQFLCIBHHFWCM-UWVGGRQHSA-N 250.298 0.841 10 10 CCCE Nc1ccc(OCC(=O)N2CC[C@@H]3CCN[C@@H]3C2)cc1 2191717608 XECBPAGHJULCDU-SMDDNHRTSA-N 275.352 0.858 10 10 CCCE O=C1N[C@H]2CN(Cc3cc(F)ccc3O)C[C@@H]2O1 2056807591 IYMLBQXLBVVEAO-ONGXEEELSA-N 252.245 0.824 10 10 CCCE Cc1cccc(O)c1CN1CC[C@@H](CO)[C@H](N)C1 2058512071 FSXJIGFSRYAITH-WCQYABFASA-N 250.342 0.842 10 10 CCCE C[C@@H](C(=O)Nc1ccc(N)cc1)N1[C@H]2C[C@H]1CN(C)C2 2187622914 LWDYXGQRFMXFTH-BPNCWPANSA-N 274.368 0.984 10 10 CCCE C[C@@H](CO)CN(C)C(=O)c1cc(O)c(O)c(O)c1 2068575788 FHNJFKPJFQFRLJ-SSDOTTSWSA-N 255.270 0.504 10 10 CCCE N[C@@H]1CC[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)C1 2068623183 DTEOMUQDPYGZQD-HTQZYQBOSA-N 252.270 0.413 10 10 CCCE O=C(N[C@@H]1[C@H]2CCO[C@H]21)c1cc(O)c(O)c(O)c1 2068620956 LFXPKBSDAKWUCI-KNBVPPQFSA-N 251.238 0.321 10 10 CCCE C[C@@H]1C[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)CN1 2068625507 YUSCFTBUIFQHJO-HTRCEHHLSA-N 252.270 0.284 10 10 CCCE NCCCC1CN(C(=O)c2ccc(O)c(O)c2)C1 2078783390 LJJKTSMCKDNREK-UHFFFAOYSA-N 250.298 0.909 10 10 CCCE Oc1ccc(CCN[C@@H]2CO[C@@]3(CCNC3)C2)cc1O 2201744986 OKDRFKVGFITZIA-WFASDCNBSA-N 278.352 0.751 10 10 CCCE COC(=O)[C@](C)(Cc1cnn(C)c1)NCCN=[N+]=[N-] 2103581692 DROBQAIKIMJYQR-NSHDSACASA-N 266.305 0.794 10 10 CCCE Cc1cccc(CNC(=O)[C@@H]2CNCCO2)c1O 2084067482 DQAIWSFIIVTEEL-NSHDSACASA-N 250.298 0.305 10 10 CCCE N[C@@H]1CCN(Cc2ccc(F)cc2O)C[C@H]1CO 2084073990 QIQLALCANNNEKL-CMPLNLGQSA-N 254.305 0.673 10 10 CCCE CNCc1ccc(N2C[C@H]3C[C@H]2[C@H](O)[C@@H]3O)c(F)c1 2104423549 LALKPIABZGCBJA-PCDDKUFXSA-N 266.316 0.475 10 10 CCCE CS(=O)(=O)[C@@H]1CCC[C@](NCCN=[N+]=[N-])(C(N)=O)C1 2104526965 BKKOENUOBOMPMZ-PSASIEDQSA-N 289.361 0.098 10 10 CCCE COC1(C(N)=O)CN(c2c(F)cc(CO)cc2F)C1 2104899035 USEJYYTUKPQUQM-UHFFFAOYSA-N 272.251 0.148 10 10 CCCE CN1CCc2cc([C@H](NN)[C@H]3CCS3(=O)=O)ccc21 2106860836 FYLNNSPTDFXIQD-OLZOCXBDSA-N 281.381 0.370 10 10 CCCE Cn1nnc([C@H](O)c2ccc(N3CCCC3)cc2)n1 2106826078 PXQXGTLGWORKSP-GFCCVEGCSA-N 259.313 0.892 10 10 CCCE CCN[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1 2087722780 OELWXKLSZDLHKB-LLVKDONJSA-N 264.325 0.851 10 10 CCCE CCn1cc(S(=O)(=O)N(C)c2ccc(N)cc2)nn1 2088137944 WEGMEHABVDZXOG-UHFFFAOYSA-N 281.341 0.705 10 10 CCCE CN(C)c1ccc([C@@H](O)[C@@]2(C(=O)O)CCCN2)cc1 2108568893 PXJUMTPAQISUEU-TZMCWYRMSA-N 264.325 0.993 10 10 CCCE CN(C)[C@@H]1CN(c2ccc(CN)c(F)c2F)C[C@@H]1O 2089922827 KYYXAXJGOFEGAG-MNOVXSKESA-N 271.311 0.535 10 10 CCCE COC[C@@H](N)Cc1nc(-c2ccc(O)c(O)c2)no1 2092781603 JRFBJIFXWVCWBK-QMMMGPOBSA-N 265.269 0.664 10 10 CCCE C[C@@H](NCc1ccc(O)c(O)c1O)[C@@H](C)S(C)(=O)=O 2114186501 PTGPSUWTMGWTAV-HTQZYQBOSA-N 289.353 0.715 10 10 CCCE NC(=O)CN(Cc1ccc(N)cc1)C[C@@H](O)C(F)F 2121044097 NMWFEGKXNPZKQB-SNVBAGLBSA-N 273.283 0.182 10 10 CCCE O=C(NC[C@@H]1C[C@@H]2NCC[C@@H]21)c1cc(O)c(O)c(O)c1 2205603206 GMABHFDGJDHKFZ-AEJSXWLSSA-N 278.308 0.531 10 10 CCCE N=c1nnc(OC[C@H]2C[C@H]2C2CCOCC2)n[nH]1 2219022113 UCQOFQOUCXHCHF-BDAKNGLRSA-N 251.290 0.121 10 10 CCCE CCN1CCc2cc(N(C)CC3(O)CNC3)ccc21 2271688745 JVTPJHTZYVXOJW-UHFFFAOYSA-N 261.369 0.840 10 10 CCCE CN1C(=O)[C@H](O)c2ccc(N3C[C@H](O)C[C@@H](F)C3)cc21 2234680330 YENXNKRSWHKXDV-ZDSQKVDBSA-N 280.299 0.606 10 10 CCCE OC[C@H](O)CN1CCN(c2ccc3c(c2)CCO3)CC1 2235093004 YFUNOFRBLFGGPF-CQSZACIVSA-N 278.352 0.097 10 10 CCCE N=c1nnc(OC[C@@]23CCCC[C@@H]2NCCC3)n[nH]1 2226139021 NRSFTCNQYJFPGP-CABZTGNLSA-N 264.333 0.370 10 10 CCCE OC[C@@H](O)[C@@H]1CCCN1c1ccc2c(c1)OCCO2 2226766552 RNBWNCHCSBUSLN-NWDGAFQWSA-N 265.309 0.780 10 10 CCCE NCc1ccc(N2CCN3C(=O)COC[C@@H]3C2)cc1F 2236934629 KMORJIGLUWOHAE-LBPRGKRZSA-N 279.315 0.332 10 10 CCCE CNC(=O)[C@H](C)N(C)c1ccc(OC)cc1C(=O)O 2227669498 CYUASSPOFPJHIG-QMMMGPOBSA-N 266.297 0.964 10 10 CCCE CC1(C)NC(=O)O[C@@H]1CNCc1ccc(O)c(O)c1O 2239302319 UTYGSYUVQVXNPR-SECBINFHSA-N 282.296 0.780 10 10 CCCE Cc1cc(O)cc(C)c1NS(=O)(=O)N1CCN[C@@H](C)C1 2239734635 KOVMIKMVJOMWGD-NSHDSACASA-N 299.396 0.959 10 10 CCCE CSc1ncc(CNC(=O)[C@]2(O)CCNC2)s1 2248680381 ZQTJDQFMJCXPEX-JTQLQIEISA-N 273.383 0.206 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3C[C@@H]4C[C@H](C3)[C@H]4O)ccc21 2270686358 YFALIGJEKUCVBS-PTYMLPSESA-N 259.309 0.456 10 10 CCCE N[C@@H]1C[C@@]12C[C@@H]2C(=O)NCCc1ccc(O)c(O)c1 2268140865 YWCMHTYLJZKFOI-GAJTVXKRSA-N 262.309 0.494 10 10 CCCE CC(C)(CN)OCCNC(=O)c1cc(O)c(O)c(O)c1 2295772055 VSJXGISFGRUQHK-UHFFFAOYSA-N 284.312 0.287 10 10 CCCE COc1ccc(N2C[C@@H]3OCC[C@@]3(CO)C2)c(CO)c1 2296361278 QEDGRZZBGRSWMP-GJZGRUSLSA-N 279.336 0.775 10 10 CCCE [N-]=[N+]=NCCCN[C@@H](C(N)=O)[C@@H]1C[C@@H]2CC[C@H]1O2 2309369513 ZUPCLYUYBTYSLC-SGIHWFKDSA-N 253.306 0.698 10 10 CCCE CNCc1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CF)cc1 2312002228 LCYNGHUXTIUANA-XQQFMLRXSA-N 254.305 0.286 10 10 CCCE CCN(CCN=[N+]=[N-])C(=O)[C@H]1[C@@H]2CS(=O)(=O)C[C@@H]21 2315992006 GDHCAQXBRKNBNR-BRPSZJMVSA-N 272.330 0.436 10 10 CCCE C[C@H](O)c1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)cc1Cl 2332914046 YKMHBRZWYKCFCV-VGYUKGMSSA-N 287.743 0.296 10 10 CCCE COc1ccc(N2C[C@@H]3C[C@H]2[C@@H](O)[C@H]3O)c(OC)c1 2333691639 KVVGGLJTZCTYNM-XBEUXYKBSA-N 265.309 0.634 10 10 CCCE C[C@@H]1C(=O)CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1C 2344375996 OZBWCASXILNWLP-YUMQZZPRSA-N 264.281 0.932 10 10 CCCE CC1(C)[C@@H](O)[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]21 2355697024 IOCDGFSBFPSAKG-ZHAHWJHGSA-N 278.308 0.724 10 10 CCCE CCN(CCOc1ccc(N)cc1)CC(=O)NC 36797398 MGJASFBUWOYYGP-UHFFFAOYSA-N 251.330 0.716 10 10 CCCE N[C@@H]1CCC[C@@H]1CNC(=O)c1cccc(O)c1O 126832817 OURAWFLZLKHPQR-PSASIEDQSA-N 250.298 0.955 10 10 CCCE COCCNC1=N[C@@](C)(c2ccc(N(C)C)cc2)C(=O)N1 213288056 GHFXHYLYYVDGGR-HNNXBMFYSA-N 290.367 0.690 10 10 CCCE Oc1cc2c(cc1CNC[C@@H](O)C(F)F)OCO2 226576307 SWNQNKCZCJBKSU-MRVPVSSYSA-N 261.224 0.837 10 10 CCCE O=C(N[C@H]1CCC[C@@H]1CO)c1cc(O)nc(O)c1 231359557 WRSGBEXTJYFUDD-APPZFPTMSA-N 252.270 0.384 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@]1(C)COC[C@@H]1N 90594808 TXQLHVYIBBYKGA-GXTWGEPZSA-N 264.325 0.714 10 10 CCCE CNC(=O)NC[C@H]1CN(Cc2cc(C)ccc2O)CCO1 529641051 JTLPFSFRFTWVEA-ZDUSSCGKSA-N 293.367 0.830 10 10 CCCE N[C@@H](CO)c1c(Br)cc(O)c(O)c1F 258397436 AVGDJLWSNCCYME-BYPYZUCNSA-N 266.066 0.992 10 10 CCCE CC(=O)C(=O)Cn1c(-c2ccccc2C)noc1=O 808021262 GHYNKMJMCOLVJG-UHFFFAOYSA-N 260.249 0.970 10 10 CCCE CC(=O)C(=O)COC(=O)c1cc([N+](=O)[O-])cnc1C 808498541 PXBZIOADTYINHB-UHFFFAOYSA-N 266.209 0.613 10 10 CCCE O=C(N[C@H]1C[C@@H]2C[C@]2(C(=O)O)C1)c1cc(O)nc(O)c1 713069302 ODGSELYTVPSKFO-UJVNDKKSSA-N 278.264 0.476 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@H]2C[C@H]1C[C@H]2O 2132348591 OQYGSLATUHXDLR-HRDYMLBCSA-N 265.265 0.399 10 10 CCCE CC(=O)c1ccc(O)c(CN2CCN(C(N)=O)CC2)c1 722194575 OPYLNYZVRIGWLB-UHFFFAOYSA-N 277.324 0.791 10 10 CCCE Oc1ccc(CNC[C@@H]2C[C@H]3COC[C@@H]3O2)c(O)c1O 724594170 LLLZVDMGVDILGP-NHCYSSNCSA-N 281.308 0.697 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@H](O)C(C)(C)O 901053725 QPGGRTORSBQURR-NSHDSACASA-N 253.298 0.482 10 10 CCCE Cc1ccc(O)c(CNC(=O)N[C@H]2CCNC2=O)c1 858597118 LQAIAQJZBCIBKB-JTQLQIEISA-N 263.297 0.388 10 10 CCCE CN(C)c1ccc(CNC(=O)C2=NO[C@H](CN)C2)cc1 852855687 MSEFQQCNIYENRP-LBPRGKRZSA-N 276.340 0.472 10 10 CCCE NCc1ccc2c(c1)CCCN2C[C@@H]1CNCCO1 852740922 KZBPZLBZEGRRQY-AWEZNQCLSA-N 261.369 0.886 10 10 CCCE C[C@@H]1NCC[C@H]1NCc1cc2c(cc1O)OCO2 863487743 WGHFXPXOPKNMPV-WCBMZHEXSA-N 250.298 0.961 10 10 CCCE Nc1ccc(NC(=O)NC[C@H]2CNCCCO2)cc1 1876152964 NBUKARIISDNAHW-GFCCVEGCSA-N 264.329 0.769 10 10 CCCE Nc1ccc(NC(=O)N[C@@H]2CO[C@@H]3CNC[C@@H]23)cc1 1876164579 FRLNXQMAPCRJKM-QJPTWQEYSA-N 262.313 0.377 10 10 CCCE CO[C@H]1C[C@@H](CN)N(C(=O)Cc2ccc(N)cc2)C1 1876479837 LGWVVUUCDDKUSF-STQMWFEESA-N 263.341 0.386 10 10 CCCE CON(C(=O)COc1ccc(N)cc1)[C@@H]1CCNC1 1876483517 PZLLFBADPOOVMG-LLVKDONJSA-N 265.313 0.400 10 10 CCCE C[C@H](NC(=O)[C@H]1OCC[C@@H]1CN)c1ccccc1O 1877589681 OBTJNXHWBIMKEY-CWSCBRNRSA-N 264.325 0.933 10 10 CCCE O=C1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 1882296448 LZCTVSFRHZHNKH-UHFFFAOYSA-N 263.209 0.315 10 10 CCCE CN(C)C(=O)NCCN(C)C(=O)c1c(F)ccc(O)c1O 1306754225 XNBMDQOJLQAGAL-UHFFFAOYSA-N 299.302 0.580 10 10 CCCE N[C@H](C(=O)NC[C@@H]1CCCO1)c1ccc(O)cc1O 83483722 NITULKXMARCPGV-CABZTGNLSA-N 266.297 0.393 10 10 CCCE N[C@@H](c1nnc(C2CNC2)o1)c1ccc(O)cc1O 83452501 IJLOTACPVFIOTN-SNVBAGLBSA-N 262.269 0.216 10 10 CCCE C[C@@H](NCc1ccc(N2CCNCC2)cc1F)C(=O)O 84846852 LWOMHNYGRHZTCA-SNVBAGLBSA-N 281.331 0.798 10 10 CCCE Cc1cc(CO)ccc1N1CC[C@@H](NS(C)(=O)=O)C1 702982747 AFGLQKRQVSCATG-GFCCVEGCSA-N 284.381 0.615 10 10 CCCE CO[C@@]1(C(=O)O)CCN(Cc2ccc(O)c(O)c2)C1 705913269 QATJPKNQXCZIBO-ZDUSSCGKSA-N 267.281 0.773 10 10 CCCE Nc1ccc(OCCNC(=O)c2c[nH]c(=O)[nH]2)cc1 63130352 TUGCMZZXMRTROD-UHFFFAOYSA-N 262.269 0.094 10 10 CCCE COc1ccc(CN2C[C@@H](OC)[C@@H](C(=O)O)C2)c(O)c1 690097372 XDRMLBULMHFOAO-WCQYABFASA-N 281.308 0.932 10 10 CCCE C[S@@](=O)C1CN(C[C@@H](O)COc2ccc(N)cc2)C1 2115307125 VSWICADMSMMRKX-NSPYISDASA-N 284.381 0.071 10 10 CCCE CN(C(=O)c1ccc(O)c(O)c1)C1(C(=O)O)COC1 2116498757 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10 10 CCCE C[C@]1(CC(=O)O)CCN1C(=O)c1cc(O)nc(O)c1 2229492713 JDBKZQZDFWHUNF-GFCCVEGCSA-N 266.253 0.572 10 10 CCCE Cc1cc([C@H](C)O)ccc1N1CCN(CCO)C(=O)C1 2240840686 WVKBANAOJPBGFE-LBPRGKRZSA-N 278.352 0.689 10 10 CCCE Cc1cc(N2C[C@H](O)C[C@@H](O)C2)ccc1[C@H](C)O 2257480256 PKCLKMNDQXTUIF-CYZMBNFOSA-N 251.326 0.980 10 10 CCCE Nc1ccc(OCC(=O)N[C@H]2COC(=O)C2)cc1 2264192997 ZMAHTAOLNGGJPI-SECBINFHSA-N 250.254 0.079 10 10 CCCE OC[C@@H]1[C@@H](O)[C@H](O)CN1c1ccc(OC(F)F)cc1 2278527445 YOGLNONPPDXQQZ-GMTAPVOTSA-N 275.251 0.191 10 10 CCCE NC[C@@H]1CC[C@@H](CNC(=O)c2ccc(O)c(O)c2)OC1 2279327412 HOQNCBJBOSIXNY-ONGXEEELSA-N 280.324 0.582 10 10 CCCE Nc1ccc(CCN2C[C@@H]3OC[C@H](CO)O[C@H]3C2)cc1 2279882526 QAOBOFVKMYYRLM-KKUMJFAQSA-N 278.352 0.272 10 10 CCCE COC(=O)N[C@@H](C)CNCc1cc2c(cc1O)OCO2 2290373481 QRCAKLHLUSVWPB-QMMMGPOBSA-N 282.296 0.955 10 10 CCCE Cc1cc(N2CCC(O)(C(N)=O)CC2)ccc1[C@H](C)N 2285145270 BOZMZFMCCFVDNU-NSHDSACASA-N 277.368 0.831 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CC[C@H]2[C@@H](O)C[C@H]21 2331869011 RWTSPYINMLNCQE-HLTSFMKQSA-N 265.265 0.399 10 10 CCCE COc1cccc(CNCCN2CC(OC)C2)c1O 2339982081 BJJJSJNGOZZIDW-UHFFFAOYSA-N 266.341 0.821 10 10 CCCE C[C@H]1C(=O)CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1C 2344375990 OZBWCASXILNWLP-HTQZYQBOSA-N 264.281 0.932 10 10 CCCE O=C(N[C@H]1C[C@@H](C(=O)O)[C@H]2C[C@@H]12)c1ccc(O)c(O)c1 2354891292 SZBIQLNKCMOFBR-JLIMGVALSA-N 277.276 0.937 10 10 CCCE C[C@@]1(O)C[C@@H]2C[C@H]1C[C@H]2NC(=O)c1cc(O)nc(O)c1 2355708309 ZLEGXLVJMMVFDH-LFNDISMMSA-N 278.308 0.772 10 10 CCCE CC(C)[C@@H](NC=C1C(=O)OC(C)(C)OC1=O)C(=O)O 100804481 PNBYQAXJPYVSNR-MRVPVSSYSA-N 271.269 0.405 10 10 CCCE Nc1ccc(CCNS(=O)(=O)NC2CC2)cc1 126109606 ABQXOIDOZXRSAM-UHFFFAOYSA-N 255.343 0.398 10 10 CCCE Nc1ccc(N2C(=O)[C@H]3CC[C@@H](O3)C2=O)cc1F 222861465 OJKMXYIVMOLNFR-NXEZZACHSA-N 250.229 0.829 10 10 CCCE C[C@@H]1CC[C@H](NC(=O)c2ccc(O)c(O)c2)CN1 235321763 NTGPJZYMMZPKOG-SCZZXKLOSA-N 250.298 0.968 10 10 CCCE CN1C[C@H](N(C)C(=O)c2ccc(O)c(O)c2)CC1=O 2131949021 CJWHRYRNPUQGCO-SECBINFHSA-N 264.281 0.401 10 10 CCCE CN1CCc2cc([C@@H](NN)c3cnn(C)c3N)ccc21 2163138184 KRDQVHRNVARPRF-CYBMUJFWSA-N 272.356 0.547 10 10 CCCE CN(C(=O)c1cc(O)cs1)C1CS(=O)(=O)C1 913135953 VDWZEAWLZYVCCF-UHFFFAOYSA-N 261.324 0.323 10 10 CCCE CC(=O)N1CSC[C@H]1C(=O)NCc1ccc(O)c(O)c1 768915054 WQVCUOFJBDPROD-JTQLQIEISA-N 296.348 0.635 10 10 CCCE O=C(NC[C@@]12COCCN1C(=O)OC2)c1cc(O)cs1 871406189 CCMQRKZZMVITAX-LBPRGKRZSA-N 298.320 0.405 10 10 CCCE C[C@H]1C[C@@H](CN)CN1C(=O)COc1ccc(N)cc1 1876456249 MYCMWORHMAVNPA-QWRGUYRKSA-N 263.341 0.843 10 10 CCCE Nc1ccc(CS(=O)(=O)NCC2(F)CC(N)C2)cc1 1876400887 GEEUBMKSNCSUHI-UHFFFAOYSA-N 287.360 0.518 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3C[C@@H]4C[C@H](C3)O4)cc21 1899731254 JDMXANCGLPRAPD-GBIKHYSHSA-N 259.309 0.640 10 10 CCCE COc1ccc2c(c1O)[C@@H]([C@@H](O)C(=O)O)NCC2 83708069 DGRHZFDLMQGLNU-GXSJLCMTSA-N 253.254 0.033 10 10 CCCE O=C(O)[C@@H](CO)NCc1ccc(N2CCCNCC2)cc1 84846314 LAFQEZMKNULQTD-CQSZACIVSA-N 293.367 0.021 10 10 CCCE CC1(C)NC(=O)N(CC(=O)Nc2ccc(N)cc2)C1=O 19269608 IBJCHQIHQAFSPM-UHFFFAOYSA-N 276.296 0.538 10 10 CCCE N[C@@H](c1nnc(CC(=O)O)o1)c1cccc(O)c1O 83480503 SXYYAPRTADVYLF-SECBINFHSA-N 265.225 0.156 10 10 CCCE C[C@H]1CS(=O)(=O)C[C@@H]1NCc1ccc(O)c(O)c1 711651945 AGEXWRWPVPRSBK-WPRPVWTQSA-N 271.338 0.621 10 10 CCCE Cc1noc(CNC(=O)c2c(F)ccc(O)c2O)n1 1182637534 REZXWALWFCLDKY-UHFFFAOYSA-N 267.216 0.858 10 10 CCCE C[C@@H](NCc1ccc(N2CCOCC2)cc1)[C@H](O)CO 698979234 VHBBQBIEIJVLOZ-IUODEOHRSA-N 280.368 0.355 10 10 CCCE C[C@@H](O)c1ccc(N2CCN(C)C[C@@H]2CO)cc1O 699544009 OXQNAAXMXZVVHD-ZYHUDNBSSA-N 266.341 0.558 10 10 CCCE CNC(=O)NCCCNCc1cccc(F)c1O 1964071012 OGTYWIZOOTZEKZ-UHFFFAOYSA-N 255.293 0.940 10 10 CCCE [N-]=[N+]=N[C@@H]1[C@H](Sc2ccccc2)O[C@H](CO)[C@H](O)[C@@H]1O 147710821 VDPWHERVMHFLNT-IIRVCBMXSA-N 297.336 0.897 10 10 CCCE COC(=O)[C@@H]1C[C@@H]1C(=O)NCc1c(O)cccc1O 1645363157 ODMABJLRAVRTHK-JGVFFNPUSA-N 265.265 0.523 10 10 CCCE C[C@]1(C(=O)NCc2c(O)cccc2O)CCC(=O)NC1 1645363085 MFDHZEWZXSEAQM-AWEZNQCLSA-N 278.308 0.630 10 10 CCCE C[C@H](NC(=O)C1(NC(N)=O)CC1)c1ccccc1O 1587451047 GGJCMYVJCGOMRW-QMMMGPOBSA-N 263.297 0.770 10 10 CCCE COC(=O)[C@H](C)NC(=O)Cc1ccc(O)c(O)c1 1624969244 HVVMVUGSLAVJKG-ZETCQYMHSA-N 253.254 0.318 10 10 CCCE Cc1cc(CO)ccc1N1C[C@@H]2C[C@H](C1)[C@H](O)[C@H]2O 2126159258 PWQLJHFYJVTFAT-NEBZKDRISA-N 263.337 0.665 10 10 CCCE CN(CC1(CN)COC1)c1ccc2c(c1)OCO2 258956566 JYBQWXLAYOPFED-UHFFFAOYSA-N 250.298 0.827 10 10 CCCE CC(=O)C(=O)[C@@H](O)[C@H]1CCN1C(=O)OC(C)(C)C 1919365396 TXZYNVPJLXDQKU-SCZZXKLOSA-N 257.286 0.515 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N3CC[C@@H](CO)C3)ccc21 226454968 FDPZEGNCTRXXNV-NOZJJQNGSA-N 261.325 0.718 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N3CCCNC(=O)C3)ccc21 115780482 OFJDDFFSKJOKGX-CYBMUJFWSA-N 274.324 0.226 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCCNC1 1968864626 BIGNUGKTKQTNJV-SNVBAGLBSA-N 250.298 0.509 10 10 CCCE C[C@@H](c1cc(O)ccc1O)N1C[C@H](O)C[C@@H]1C(=O)O 2136120756 IBXSAVWETYWZAR-JVUFJMBOSA-N 267.281 0.679 10 10 CCCE COCCNC(=O)[C@@H](C)NCc1cccc(F)c1O 228990729 BGXYTFARYHNUNT-SECBINFHSA-N 270.304 0.772 10 10 CCCE CCNC(=O)[C@@H](C)NC(=O)[C@H]1CNc2ccccc2N1 229879009 WOAVDBOEGYPNKM-BXKDBHETSA-N 276.340 0.533 10 10 CCCE NN[C@@H](c1ccccc1O)[C@H]1CCCS1(=O)=O 1942401122 PDAGPNQYARJFNN-MNOVXSKESA-N 256.327 0.474 10 10 CCCE N[C@@H](c1ccc(N2CCCC2)cc1)[C@@H](O)C(=O)O 1952114345 KURNMFLJZRKNMW-NWDGAFQWSA-N 250.298 0.732 10 10 CCCE CN(C)Cc1cc([C@H]2CS(=O)(=O)CCN2)ccc1O 1952837651 AVOFECVPZDKWGN-GFCCVEGCSA-N 284.381 0.513 10 10 CCCE CCNC(=O)[C@H]1COCCN1CCc1ccc(N)cc1 159346931 JWDMQGPHBAFCMV-CQSZACIVSA-N 277.368 0.648 10 10 CCCE C[C@H](NC(=O)CCc1ccc(N)cc1)C(=O)N(C)C 38051725 NVELUNCVFPLZIA-JTQLQIEISA-N 263.341 0.794 10 10 CCCE COC(=O)NS(=O)(=O)N(C)[C@H](C)c1ccccc1O 163229584 ZFIRUPKHYQIEGW-MRVPVSSYSA-N 288.325 0.986 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)[C@]12C[C@H]1CCCN2 2148020626 ORPUSSPSIXZWDG-ABAIWWIYSA-N 276.336 0.899 10 10 CCCE COCCn1ccnc1[C@H](O)[C@@H](N)c1ccccc1O 2148163390 SACXNPWBVFXEKE-QWHCGFSZSA-N 277.324 0.969 10 10 CCCE CN(CCN1CCC[C@H]1CN=[N+]=[N-])S(C)(=O)=O 2009443194 OBNACMPLXLYKLN-VIFPVBQESA-N 261.351 0.653 10 10 CCCE O=S1(=O)CCCN1CCNCc1ccc(F)cc1O 293634725 NLYKRRMHHQIYIV-UHFFFAOYSA-N 288.344 0.656 10 10 CCCE CO[C@@H]1CN(C)C[C@H]1NCc1ccc(O)cc1O 2034336314 QQKCUJWPRWRPDR-DGCLKSJQSA-N 252.314 0.516 10 10 CCCE COc1cccc(CN2CCOC[C@@H]2CN)c1O 2035628562 IVODGJNYSWWUNC-NSHDSACASA-N 252.314 0.560 10 10 CCCE COCCOC[C@H](NCCCN=[N+]=[N-])C(=O)OC 310902927 FQSHMGIZFUYVHH-VIFPVBQESA-N 260.294 0.481 10 10 CCCE COc1ccc([C@H](C)N[C@H]2COC[C@H]2O)c(O)c1 323316782 SMVDYVRSIHWUNW-LJUAHTATSA-N 253.298 0.811 10 10 CCCE CN(C)S(=O)(=O)CCCNCc1ccc2c(c1)CCO2 2160560864 SOBQJLNBUBOWPM-UHFFFAOYSA-N 298.408 0.993 10 10 CCCE Nc1ccc(O)c(CN2C[C@H](CO)[C@@H](CO)C2)c1 704699482 PRNSQLQHPTWZCW-GHMZBOCLSA-N 252.314 0.007 10 10 CCCE CN1C[C@H]2CN(C(=O)COc3ccc(N)cc3)C[C@H]2C1 705664985 ZEXKKZFAESATAR-TXEJJXNPSA-N 275.352 0.668 10 10 CCCE C[C@@H]1CN([C@H](C)C(=O)Nc2ccc(N)cc2)CC(=O)N1 387056095 UOZSLPPABPZDBN-NXEZZACHSA-N 276.340 0.416 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CCS[C@@H](CO)C1 720035804 GJFRNQSVPFGFIG-MRVPVSSYSA-N 270.310 0.043 10 10 CCCE CNCc1ccc(N2CCN(C)C[C@@H]2CO)c(F)c1 699431616 BEDWYBVWNICUKX-GFCCVEGCSA-N 267.348 0.658 10 10 CCCE Cc1cc(O)n2ncc(C(=O)N[C@@H]3CCCN(C)C3)c2n1 2064604362 JPYMRMYWFFQLTJ-SNVBAGLBSA-N 289.339 0.567 10 10 CCCE CN(C1CC1)C1CN(C(=O)COc2ccc(N)cc2)C1 2172997759 PRXRCLAEBTYKKM-UHFFFAOYSA-N 275.352 0.953 10 10 CCCE C[C@H](O)c1ccc(N2CC(N(C)C3COC3)C2)cc1O 2173118438 NYQVBJDAKOVIQM-JTQLQIEISA-N 278.352 0.965 10 10 CCCE CN1CCN(S(=O)(=O)Cc2ccc(N)cc2)[C@H]2CC[C@H]21 2168395206 QXKSCPKQHFOMFB-KGLIPLIRSA-N 295.408 0.877 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCC[C@@H]1CO 1624116378 HZLNFYBGEJIPQY-GHMZBOCLSA-N 265.309 0.918 10 10 CCCE CC(=O)c1ccc(O)c(CN2CCC[C@@H]2[C@H](O)CO)c1 2179799169 NHPBTOFBVAGVAW-UKRRQHHQSA-N 279.336 0.912 10 10 CCCE COc1cc(N)c(N2CCNC[C@@H]2C(=O)O)cc1OC 2191555155 DVELDCQGCYFNOQ-SNVBAGLBSA-N 281.312 0.149 10 10 CCCE CO[C@H]1C[C@H](CN)N(c2cc3c(cc2N)OCCO3)C1 2191607431 UMCHISNLBWULFY-ZJUUUORDSA-N 279.340 0.592 10 10 CCCE C[C@@]12CNC[C@H]1CN(C(=O)COc1ccc(N)cc1)C2 2191710093 LJRDCNUOCWEPPT-NHYWBVRUSA-N 275.352 0.716 10 10 CCCE CCOC(=O)[C@@]1(NCCCN=[N+]=[N-])CCC(=O)N(C)C1 2188501880 XPLNYZMTBPKMMJ-GFCCVEGCSA-N 283.332 0.831 10 10 CCCE COCCNCc1ccc(N2CC[C@@H](O)[C@H](O)C2)cc1 2188629093 HOSPKXLGVPRHCP-HUUCEWRRSA-N 280.368 0.355 10 10 CCCE C[C@H](N)c1ccc(N2C[C@@H]3C[C@H](C2)[C@@H](O)[C@H]3O)cc1O 2182552441 CRRGSJNALYQSFQ-UZGCMYEVSA-N 278.352 0.590 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CC[C@H](N2CCC2)C1 2188874763 KUBKHSCQFJDNLO-JTQLQIEISA-N 278.308 0.724 10 10 CCCE CN(C[C@@]1(O)CCOC1)C(=O)c1cc(O)c(O)c(O)c1 2188867957 JVEFXHWFBQDPHO-ZDUSSCGKSA-N 283.280 0.027 10 10 CCCE C[C@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)C[C@H](C)CN1 2188925978 ZAHRZHMGVDOIJU-BDAKNGLRSA-N 280.324 0.873 10 10 CCCE CCNCc1ccc(N2C[C@@H](O)C[C@@H](O)C2)cc1 2043132340 PXLSKNYPRXMCAC-OKILXGFUSA-N 250.342 0.728 10 10 CCCE CN[C@H]1CCCc2cc(N3CC(=O)NC(=O)C3)ccc21 2184692579 DRSBEBISZFWWFT-ZDUSSCGKSA-N 273.336 0.746 10 10 CCCE O=S1(=O)CC2(CN1)CN(c1ccc3c(c1)CC[C@H]3O)C2 2184730706 YRLYCYCIITUSPO-CYBMUJFWSA-N 294.376 0.406 10 10 CCCE CNC(=O)NC(=O)[C@@H](C)N1CCC[C@@H]1CN=[N+]=[N-] 2059060125 URYRZZKLAVJEHA-HTQZYQBOSA-N 254.294 0.605 10 10 CCCE CCOC(=O)[C@@]1(NCCN=[N+]=[N-])COC2CC1C2 2063102279 SPAYNZFKJMEAAF-NWGYLPEXSA-N 254.290 0.997 10 10 CCCE Nc1cccc(C(=O)O)c1N[C@H]1CCNC[C@H]1O 2071715583 BGMNVJZKJUAOMC-VHSXEESVSA-N 251.286 0.102 10 10 CCCE NC[C@H]1CCC[C@@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)O1 2073530268 NAPPIWFCZXTTQV-BFLSOPEQSA-N 254.330 0.148 10 10 CCCE COc1ccc(N2CC(CO)(OC)C2)c([N+](=O)[O-])c1 2101059731 UVUHEHHYQCBIQQ-UHFFFAOYSA-N 268.269 0.801 10 10 CCCE C[C@H](N)C[S@](C)(=O)=NC(=O)Cc1ccc(O)c(O)c1 2104042689 AMALEBDYAUACMN-RLBGWGEZSA-N 286.353 0.612 10 10 CCCE CN(C)c1ccc(CN[C@H]2CS(=O)(=O)C[C@@H]2O)cc1 2104184121 CZJIWQMYRMVUCM-STQMWFEESA-N 284.381 0.000 10 10 CCCE C[C@H]1OCCO[C@@H]1C(=O)NCc1cc(N)ccc1O 2087398004 FBBLKOFLHBUBCN-PELKAZGASA-N 266.297 0.395 10 10 CCCE CN(C(=O)Cc1ccc(O)c(O)c1)[C@H]1CCCNC1 2087728941 INCMFPJNLBFBBJ-NSHDSACASA-N 264.325 0.851 10 10 CCCE CC1(C)CC[C@H](NC(=O)c2cc(O)nc(O)c2)CN1 2099900470 AWQQQYADUMNTBS-VIFPVBQESA-N 265.313 0.753 10 10 CCCE CN(Cc1ccc(N(C)C)cc1)C(=O)CNCCO 2112371879 BIGGIHZPZBWQKQ-UHFFFAOYSA-N 265.357 0.293 10 10 CCCE O=C(Nc1nc(C2CNC2)cs1)c1cc(O)nc(O)c1 2201911453 XQJWQNJNFBAJLZ-UHFFFAOYSA-N 292.320 0.888 10 10 CCCE COC[C@@H]1[C@H](O)[C@@H](O)CN1c1ccc2c(c1)C[C@H](C)O2 2235067222 NVGCVVSBFWGPAP-AETLKFDBSA-N 279.336 0.567 10 10 CCCE COc1cc(N2CC[C@@H](O)[C@@H](O)C2)cc(OC)c1OC 2235136227 PVQJSUCJDVPLDL-MNOVXSKESA-N 283.324 0.644 10 10 CCCE CN(C)c1ccc(CNC(=O)c2c[nH]nc2CN)cc1 2235298752 IJBHWZUHLQDBMY-UHFFFAOYSA-N 273.340 0.864 10 10 CCCE COC[C@@H]1[C@H](O)[C@H](O)CN1c1ccc([C@H](C)O)cc1 2225516897 GQKKCCNLLJZXFG-VKKKGTNTSA-N 267.325 0.297 10 10 CCCE COc1ccc(N2CC[C@@](C)(O)[C@@](C)(O)C2)c(CO)c1 2235965391 ZTXIVBBBNSQOIA-CABCVRRESA-N 281.352 0.900 10 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NC(=O)C12CCC(CC1)N2C(=O)Cc1ccc(O)c(O)c1 1179563479 BJESYVPGIBLSJZ-UHFFFAOYSA-N 290.319 0.649 10 10 CCCE CN([C@@H]1CCC[C@H]1O)S(=O)(=O)Cc1ccc(N)cc1 709101956 TXRYSIYCXJLNII-CHWSQXEVSA-N 284.381 0.944 10 10 CCCE NS(=O)(=O)C1(CNCc2ccc(O)cc2O)CC1 714000553 HMDHMRIWVCLTJX-UHFFFAOYSA-N 272.326 0.009 10 10 CCCE CC1(CNC(=O)Cc2ccc(N)cc2)OCCO1 716327660 DUHICQPZXBEYQJ-UHFFFAOYSA-N 250.298 0.691 10 10 CCCE Nc1ccc(CC(=O)N2CCC[C@@H]2c2nn[nH]n2)cc1 720612066 IKVCDUYGCKBHSS-LLVKDONJSA-N 272.312 0.688 10 10 CCCE O=C(N[C@@H]1CCCC[C@H]1C(=O)O)c1cc(O)nc(O)c1 70525154 GZPWEZNBRMFVLQ-RKDXNWHRSA-N 280.280 0.866 10 10 CCCE CN1CCN(c2ccc(CN)cc2F)[C@@H](CO)C1 699481035 YXRFFVNXQCIQRJ-LLVKDONJSA-N 253.321 0.397 10 10 CCCE O=C([C@@H]1CCS(=O)(=O)C1)N1Cc2cccc(O)c2C1 1261887932 XBMSYXOWOFVKHP-SNVBAGLBSA-N 281.333 0.669 10 10 CCCE C[C@H](C(=O)Nc1ccc(N)cc1)N1CC(F)(CO)C1 2116282669 JTPQVEZRQWKMOX-SECBINFHSA-N 267.304 0.612 10 10 CCCE Cn1cccc([C@H](O)[C@H](N)c2ccccc2O)c1=O 2121262695 FKGUUGYNEOVSLQ-OLZOCXBDSA-N 260.293 0.824 10 10 CCCE COC[C@H]1COCCN1C(=O)Cc1ccc(O)c(O)c1 1558486579 AOOKAVDAFTZEEZ-NSHDSACASA-N 281.308 0.514 10 10 CCCE CNCc1ccc(N2CCC[C@@H]2[C@@H](O)CO)c(F)c1 2123219085 BETNHYIROGBTSV-KGLIPLIRSA-N 268.332 0.867 10 10 CCCE CC[C@](C)(NC(=O)c1ccc(C)c(O)c1O)C(N)=O 1636216211 GCOJYXQPTZWLSC-ZDUSSCGKSA-N 266.297 0.790 10 10 CCCE Cc1cccc(O)c1CN1CC(O)([C@H](F)C(=O)O)C1 1875538270 JHXSPVAXXUBJLB-LLVKDONJSA-N 269.272 0.670 10 10 CCCE NCc1ccc(N2C[C@@H]3C[C@H](C2)[C@@H](O)[C@H]3O)c(Cl)c1 2126162747 VNPOWPBGFWYAFW-IOQCUFBNSA-N 282.771 0.977 10 10 CCCE CC1(OCC(=O)O)CN(Cc2ccc(O)c(O)c2)C1 161896572 ZVHGLDQGBDKGSD-UHFFFAOYSA-N 267.281 0.773 10 10 CCCE Cc1nc(NC(=O)C[C@H]2C(=O)NN(C)C2=O)sc1C 169996314 UEZMURRTVZUIEU-ZETCQYMHSA-N 282.325 0.208 10 10 CCCE CC1(C(=O)NCCCCN=[N+]=[N-])CS(=O)(=O)C1 1912152771 BGJNTZJTBVLNCC-UHFFFAOYSA-N 260.319 0.628 10 10 CCCE CCOC(=O)[C@]1(NCCN=[N+]=[N-])C[C@@H]2OCC[C@H]21 1912165074 FXIBODVAFNSMDH-YWVKMMECSA-N 254.290 0.997 10 10 CCCE 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NC[C@@H]1C[C@H](NC(=O)COc2ccc(N)cc2)CCO1 2191683797 ZDQIDFCOJWMQBA-YPMHNXCESA-N 279.340 0.270 10 10 CCCE CCOC(=O)c1cccc(N)c1N[C@@H]1COC[C@@H]1CN 2191692688 VHRPRJWOFZLIAD-JOYOIKCWSA-N 279.340 0.831 10 10 CCCE [N-]=[N+]=NCC1(CNS(=O)(=O)c2cccnn2)CC1 2054026378 NPEFOAPRAHGNJB-UHFFFAOYSA-N 268.302 0.845 10 10 CCCE Nc1ccc(CS(=O)(=O)NC2[C@H]3COC[C@H]23)cc1 2054327673 UUGXDNJBXUDEES-QWRGUYRKSA-N 268.338 0.333 10 10 CCCE CN1C[C@H]2C[C@H]1CN2C[C@H](O)COc1ccc(N)cc1 2187564546 PWSBABDUXSSXHL-MJBXVCDLSA-N 277.368 0.397 10 10 CCCE CN1CCN(c2ccc(CO)c([N+](=O)[O-])c2)CC1 2068304885 ZFAXMBDUTDIVMF-UHFFFAOYSA-N 251.286 0.839 10 10 CCCE NC1(CNC(=O)c2cc(O)c(O)c(O)c2)CCC1 2068615276 NLDOZZCGPYRKTO-UHFFFAOYSA-N 252.270 0.415 10 10 CCCE C[C@@H](NC[C@H]1CCNC1=O)c1ccc(O)cc1O 2075993843 HRTPFMXQCGYAIA-RKDXNWHRSA-N 250.298 0.885 10 10 CCCE CC[C@@H](NC[C@](O)(CO)COC)c1ccccc1O 2102398663 FKSBQQPMNOLKRC-OCCSQVGLSA-N 269.341 0.803 10 10 CCCE CNCc1ccc(N(C)C(CO)CO)cc1OC 2084013114 ZOZPPKWDVDYQAX-UHFFFAOYSA-N 254.330 0.204 10 10 CCCE Cc1ccc(CN[C@H]2CCO[C@H]2C(N)=O)c(O)c1 2084073632 MCXDDGJEHGVVCM-CMPLNLGQSA-N 250.298 0.433 10 10 CCCE [N-]=[N+]=NC1CCN(S(=O)(=O)N2CCC[C@H]2CO)CC1 2105546276 JDKLKMGQKMLWIR-JTQLQIEISA-N 289.361 0.463 10 10 CCCE O=C(c1cccc(O)c1O)N1CC[C@@H]2CCN[C@H]2C1 2087443581 RVBSJWSDQLQFGV-ONGXEEELSA-N 262.309 0.922 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC3(CC(O)C3)C2)cc1 2090129732 XFPDUQZDDWZVBQ-UHFFFAOYSA-N 282.365 0.555 10 10 CCCE C[C@@H](NC(=O)c1cc(O)nc(O)c1)C(C)(C)C(=O)O 2090405301 XOQOWYRJOWIPOZ-ZCFIWIBFSA-N 268.269 0.722 10 10 CCCE COC(=O)[C@@H](C1CC1)S(=O)(=O)N(C)CCCN=[N+]=[N-] 2110765786 BASXHIFWEDNOLE-SECBINFHSA-N 290.345 0.900 10 10 CCCE NC(=O)CN(Cc1ccc(N)cc1)[C@@H]1CCC[C@@H]1O 2099394027 BQWFJNMJNLWCTD-OLZOCXBDSA-N 263.341 0.470 10 10 CCCE CC(C)(F)[C@H](NC(=O)c1cc(O)nc(O)c1)C(=O)O 2117562619 ISJOKWDFYQALRQ-MRVPVSSYSA-N 272.232 0.424 10 10 CCCE CO[C@H]1CCNC[C@@H]1C(=O)NCc1cccc(C)c1O 2204619572 DFJORKVWBZVKRW-STQMWFEESA-N 278.352 0.941 10 10 CCCE N[C@@H]1CCCc2cc(N3C[C@H](O)[C@H](O)[C@@H]3CF)ccc21 2205607336 FHFLPVXAYFUILW-CBBWQLFWSA-N 280.343 0.903 10 10 CCCE NCc1ccc(N2C[C@@H](CO)C[C@@H](CO)C2)cc1 2221119188 IYDZREDHYMSHRL-BETUJISGSA-N 250.342 0.572 10 10 CCCE CN[C@H](C(N)=O)[C@H](C)Oc1ccc(N(C)C)cc1 2221876829 WFMRNWUQRMWMDU-CABZTGNLSA-N 251.330 0.593 10 10 CCCE COc1cc(N2CCO[C@@H]3C[C@@H](O)C[C@@H]32)ccc1CN 2234437062 HAVNAHMQJHQDND-KCQAQPDRSA-N 278.352 0.882 10 10 CCCE [N-]=[N+]=N[C@@H]1CCC[C@H]1NC(=O)N[C@H]1CCS(=O)(=O)C1 2225794098 CNLBEGXILKPMOL-DJLDLDEBSA-N 287.345 0.704 10 10 CCCE NCc1ccc(N2CCN3C(=O)COC[C@@H]3C2)c(Cl)c1 2236938328 YDURJYSOEOWZQH-NSHDSACASA-N 295.770 0.846 10 10 CCCE Cc1ccc(CN2C[C@@H]3CN[C@H](CO)[C@@H]3C2)c(O)c1 2227310349 FTXYLKHVAFKANO-BFHYXJOUSA-N 262.353 0.713 10 10 CCCE COc1ccc(N(C)CCS(C)(=O)=O)c(CCN)c1 2227683213 UGQOEVFGBUEQLZ-UHFFFAOYSA-N 286.397 0.677 10 10 CCCE CC1CC(NC(=O)COc2ccc(N)cc2)(C(N)=O)C1 2240657000 QWCYFYLCSLZNDK-UHFFFAOYSA-N 277.324 0.418 10 10 CCCE Cc1cc(N2C[C@@H](CO)[C@@H](O)C2)ccc1[C@H](C)N 2257458642 PFTJLJDFGRRLJW-MJVIPROJSA-N 250.342 0.804 10 10 CCCE Cc1cc(N2CC(O)(CCO)C2)ccc1[C@H](C)N 2258272217 MHYWBEHEHNWTJZ-NSHDSACASA-N 250.342 0.948 10 10 CCCE CCCS(=O)(=O)N(C)Nc1nc(CO)c(C)s1 2301526047 AOSCJQQSELWWFC-UHFFFAOYSA-N 279.387 0.942 10 10 CCCE CCc1sc(NN(C)S(C)(=O)=O)nc1CC(=O)O 2317457213 KAQRWEWCVNUHPN-UHFFFAOYSA-N 293.370 0.551 10 10 CCCE CCOc1cccc(CNN(C)S(C)(=O)=O)c1O 2317490695 LAQPCVMLJPDCQL-UHFFFAOYSA-N 274.342 0.687 10 10 CCCE Nc1ccc(OCC(=O)N2C[C@@H]3C[C@@H](O)[C@H]2C3)cc1 2330791162 XZBYRKQJYXZTNQ-ZWKOPEQDSA-N 262.309 0.629 10 10 CCCE O=C1Nc2cc(N3C[C@@H]4C[C@H]3[C@@H]4CO)ccc2[C@H]1O 2333088971 SHOQGNYGORQVHH-VFHFYPCJSA-N 260.293 0.489 10 10 CCCE COc1ccc(N2C[C@@H]3C[C@H]2[C@@H](O)[C@@H]3O)c(F)c1F 2333695791 XSQIPTMRSHOVJG-NYUWSQLESA-N 271.263 0.904 10 10 CCCE [N-]=[N+]=NC[C@H]1CCN(C(=O)c2nnn3c2CCC3)C1 2338557975 DVWHXUAYMNTDGV-MRVPVSSYSA-N 261.289 0.997 10 10 CCCE C[C@]1(C(=O)N2CCc3cc(O)c(O)cc3C2)CCN1 2341202338 KFORPLWSUATOPA-CQSZACIVSA-N 262.309 0.735 10 10 CCCE Nc1ccc(OCCCN2C[C@@H]3C[C@H]2[C@H](O)[C@@H]3O)cc1 2354486221 VTCOJWDJEVDHOL-HPEDKQMDSA-N 278.352 0.464 10 10 CCCE CC(=O)N1CCN(CCC(=O)Nc2ccc(N)cc2)CC1 22220874 XZNFOUJHXHNXTF-UHFFFAOYSA-N 290.367 0.762 10 10 CCCE O=C(c1cccc(O)c1O)N1[C@H]2CC[C@@H]1[C@H](O)[C@@H](O)C2 2357025187 URBWAEQFWKNZCW-PYEWSOSRSA-N 279.292 0.197 10 10 CCCE CNC[C@@H]1CCN(C(=O)c2cccc(O)c2O)C1 126672475 ACOGQDQODPNOAZ-VIFPVBQESA-N 250.298 0.779 10 10 CCCE C[C@@H](N)[C@@H]1CN(Cc2ccc(O)c(O)c2)CCO1 132573624 WWEXKFJUKLKYGR-RNCFNFMXSA-N 252.314 0.646 10 10 CCCE O=C1CSC(=S)N1CCNC(=O)C(F)(F)F 49756376 GKFCISRLFJVFIU-UHFFFAOYSA-N 272.273 0.525 10 10 CCCE COCCS(=O)(=O)NCCOc1ccc(N)cc1 42807801 DBVXATWJROOFTG-UHFFFAOYSA-N 274.342 0.213 10 10 CCCE CC[C@H](C(=O)Nc1ccc(N)cc1)N(C)CCO 62460879 VUIDWPAEDOHFFQ-GFCCVEGCSA-N 251.330 0.910 10 10 CCCE CN(CC(=O)c1ccc(O)c(O)c1)CC(C)(C)O 92970358 XOENAEFLZJAULN-UHFFFAOYSA-N 253.298 0.983 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3C[C@H](CO)OC[C@H]3C)ccc21 251631391 FLFMZKWSYKZVQX-UDZFHETQSA-N 291.351 0.485 10 10 CCCE Nc1ccc(OCC(=O)OCC2(CO)COC2)cc1 384444316 YZYPQSZVJQZZGR-UHFFFAOYSA-N 267.281 0.200 10 10 CCCE C[C@@]12CNC[C@@]1(C(=O)NCCc1ccc(O)c(O)c1)C2 2165511127 OHFKFLRNDCUMPY-HUUCEWRRSA-N 276.336 0.756 10 10 CCCE CN(Cc1nnnn1C)c1ccc(/C=C/C(=O)O)cc1 707609654 UGHVUWURMKCGHR-VMPITWQZSA-N 273.296 0.944 10 10 CCCE COc1ccc(N2CCNCCNC(=O)CC2)cc1F 2162665676 DUTUNDAHDACQPB-UHFFFAOYSA-N 281.331 0.750 10 10 CCCE COC(=O)CC[C@H](N)C(=O)NCc1ccc(OC)cc1O 832178894 ZJPCFYOAQXFHCQ-NSHDSACASA-N 296.323 0.298 10 10 CCCE CCON(C)C(=O)CNC(=O)NCc1ccccc1O 844940194 UBGCUUZQPVIXBC-UHFFFAOYSA-N 281.312 0.601 10 10 CCCE CNS(=O)(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 849416511 RLHVIBKHMVOVDK-JTQLQIEISA-N 285.369 0.328 10 10 CCCE CCCN(Cc1ccc(N)cc1)C(=O)c1nnn(C)n1 697242900 QNFKNXILGCLCDN-UHFFFAOYSA-N 274.328 0.845 10 10 CCCE NC[C@@H]1COCCN1C(=O)CCc1ccc(N)cc1 1876440039 QTDDUHFYKQRHOK-CYBMUJFWSA-N 263.341 0.388 10 10 CCCE COc1cccc(CNC(=O)/C=C\C(=O)N(C)C)c1O 1137473845 YCBIQFQPYYKOPW-FPLPWBNLSA-N 278.308 0.661 10 10 CCCE CCn1ncc(C(=O)NCc2ccc(O)cc2O)n1 1142533652 PCPAXJSBUPMDOH-UHFFFAOYSA-N 262.269 0.639 10 10 CCCE COc1ccc(O)c(CN(CCO)CC(=O)O)c1 1963437760 RKIOFMKXSAGSDV-UHFFFAOYSA-N 255.270 0.280 10 10 CCCE O=C(NCCC1(O)CCOCC1)c1c(F)ccc(O)c1O 1161305984 SDOWKUGLMUKMHN-UHFFFAOYSA-N 299.298 0.898 10 10 CCCE CN(CC(=O)O)C[C@H]1NCCc2c(O)ccc(O)c21 75799500 LAPCEUWUGMNHMQ-SECBINFHSA-N 266.297 0.301 10 10 CCCE Cc1ccc(O)c([C@H](C(=O)O)N2C(=O)CCC2=O)c1 83457974 QFXYGLCMMDQRTK-GFCCVEGCSA-N 263.249 0.975 10 10 CCCE COc1ccc2c(c1)C[C@@H](N1CCNCC1)CN2C 84800266 KOPRNDWBWYMUDR-CYBMUJFWSA-N 261.369 0.961 10 10 CCCE Cc1nnsc1[C@H](NCCCN=[N+]=[N-])C(N)=O 394699522 BEKXWHQDTINILA-LURJTMIESA-N 255.307 0.663 10 10 CCCE NC(=O)C1CCN(C(=O)COc2ccc(N)cc2)CC1 40295531 OPHSRDDMBJWZBU-UHFFFAOYSA-N 277.324 0.372 10 10 CCCE CC(C)[C@H](CNC(=O)c1cc(O)nc(O)c1)CC(=O)O 702044119 KBEKDOBBYRHRKO-VIFPVBQESA-N 282.296 0.970 10 10 CCCE CC(CO)(CO)CNCc1ccc(F)c(F)c1O 703214472 NERFIZZBIGPPHY-UHFFFAOYSA-N 261.268 0.751 10 10 CCCE C[C@]1(O)CCN(CCOc2ccc(N)cc2)C[C@@H]1O 1893318195 MHGQFVSOAUDMEP-KBPBESRZSA-N 266.341 0.465 10 10 CCCE COCC[S@@](C)(=O)=NCC(=O)N(C)c1ccc(N)cc1 1918078093 YFDZODPCYMVVHF-HXUWFJFHSA-N 299.396 0.976 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)c1ccn2nnnc2c1 1294913542 OGJVPRXQOFUCQE-UHFFFAOYSA-N 299.290 0.508 10 10 CCCE C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ncon1 1295164033 BCVNBKFAFWLPGI-SSDOTTSWSA-N 263.253 0.901 10 10 CCCE Nc1ccc(OCCC(=O)N[C@H]2[C@H]3COC[C@H]32)cc1 2118076906 GPCYZBHRKGIXEL-DABQJJPHSA-N 262.309 0.799 10 10 CCCE CC(=O)N1C[C@@](O)(CN)Cc2cc(N(C)C)ccc21 212006600 LQIDAHODEDIYHG-AWEZNQCLSA-N 263.341 0.351 10 10 CCCE CN1C(=O)CN(c2ccc3c(c2)OCO3)C[C@@H]1CN 216976412 KVYOZPLZMHMJHO-JTQLQIEISA-N 263.297 0.021 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@H](F)[C@@H](CO)C2)cc1 2120621962 XLGYNGVKKLAPIR-PWSUYJOCSA-N 288.344 0.361 10 10 CCCE CN1CCC[C@@H](NC(=O)Cc2ccc(O)c(O)c2)C1=O 1633054333 KUHOSFWIIJGSJW-SNVBAGLBSA-N 278.308 0.377 10 10 CCCE CN1C[C@@H]2C[C@H](C1)N2c1ccc2c(c1)NC(=O)[C@H]2O 2131084585 QVGWZKLLPZSJCL-CWSCBRNRSA-N 259.309 0.565 10 10 CCCE N[C@@H]1CC(C(=O)N2CCCc3ccccc32)=C[C@@H]1O 2131467457 ZCNXJEYBPPOFJN-OCCSQVGLSA-N 258.321 0.984 10 10 CCCE Nc1ccc(-n2nnc(C(=O)OCC(F)(F)F)n2)cc1 1857878768 LOLOAXAIXSRPOP-UHFFFAOYSA-N 287.201 0.964 10 10 CCCE C[C@H]1C[C@H](C(=O)O)N1C(=O)c1ccc(O)c(O)c1 1913159982 MDNJLFCDQZXAGJ-POYBYMJQSA-N 251.238 0.785 10 10 CCCE Cc1ccc(S(=O)(=O)N2CC[C@H](N=[N+]=[N-])C2)nn1 1912186043 ZBUCFVLYXVOKEU-QMMMGPOBSA-N 268.302 0.858 10 10 CCCE C[C@@](NCCCN=[N+]=[N-])(C(=O)O)C1CS(=O)(=O)C1 1912162018 QHXRNADFXHUVPC-VIFPVBQESA-N 276.318 0.164 10 10 CCCE CC1(C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)CS(=O)(=O)C1 1912174287 XHMPLWCZNLWTKO-QMMMGPOBSA-N 272.330 0.580 10 10 CCCE [N-]=[N+]=NCCCCN1C(=O)[C@@H]2CCCN2S1(=O)=O 1912205635 BKXHXUGGVKOQGO-QMMMGPOBSA-N 273.318 0.628 10 10 CCCE CNCc1ccc(N2CCNC(=O)[C@@H]2C)cc1OC 2139687585 NPPZEGUHAOEVSX-JTQLQIEISA-N 263.341 0.739 10 10 CCCE COC[C@@](O)(CO)CNCc1c(O)cccc1Cl 1966068214 TXHYMVACIXKDJF-LBPRGKRZSA-N 275.732 0.505 10 10 CCCE Cc1cc(NC(=O)[C@@H](N)Cc2ccc(O)c(O)c2)[nH]n1 111591357 VSTTUSKCYMACPX-VIFPVBQESA-N 276.296 0.638 10 10 CCCE NC(=O)CN(Cc1ccc(N)cc1)C(=O)CC(F)F 2134861182 XIZCKDFVEPTWES-UHFFFAOYSA-N 271.267 0.738 10 10 CCCE COCCS(=O)(=O)CCNCc1c(C)cccc1O 2139806987 TVVPXLQSQYFSCO-UHFFFAOYSA-N 287.381 0.851 10 10 CCCE C[C@@H](c1c(O)cccc1O)N1C[C@@H](O)C[C@H]1C(=O)O 2136107710 FYKGNTADGXDALT-CIUDSAMLSA-N 267.281 0.679 10 10 CCCE O=C(O)[C@@]1(CO)CCCN1Cc1ccc(O)cc1O 2136349046 AAKUYKLVGIUZMO-ZDUSSCGKSA-N 267.281 0.509 10 10 CCCE C[C@]1(C(=O)O)COC[C@H]1NC(=O)c1ccc(O)c(O)c1 235743571 FXANTEPHGZIDBR-MFKMUULPSA-N 281.264 0.317 10 10 CCCE N[C@@H]1CCCN(c2nnc(-c3ccc(O)c(O)c3)[nH]2)C1 236313032 GBKSPETWEDYQJT-SECBINFHSA-N 275.312 0.810 10 10 CCCE Cn1ncc(-c2ccc(O)c(O)c2O)c1C(=O)O 1952064478 NCJCCGVWLUOWBP-UHFFFAOYSA-N 250.210 0.902 10 10 CCCE NC(=O)[C@H]1CCC[C@@H](NCc2ccc(O)c(O)c2O)C1 2146211244 IUFXKOHOAINUAG-WCBMZHEXSA-N 280.324 0.937 10 10 CCCE C[C@@H]1NCCN(C(=O)Cc2ccc(O)c(O)c2)[C@@H]1C 1971297224 HZFPYVJAAFMDNH-VHSXEESVSA-N 264.325 0.849 10 10 CCCE CN([C@@H]1CCN(CCc2ccc(N)cc2)C1)S(C)(=O)=O 2146920212 TVCJBGPJEYORMF-CQSZACIVSA-N 297.424 0.777 10 10 CCCE C[C@]1(CNC(=O)Cc2ccc(O)c(O)c2)CNCCO1 2144022644 DPZTZFOLSONGIM-CQSZACIVSA-N 280.324 0.135 10 10 CCCE CN1C[C@](NCCN=[N+]=[N-])(C(=O)O)CC12CCOCC2 2156883920 WSONYEMFOZBMDA-LBPRGKRZSA-N 283.332 0.594 10 10 CCCE N[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)CC2(CCC2)C1 2151115170 FAEHIFFWNUDBKP-JTQLQIEISA-N 277.324 0.836 10 10 CCCE COc1ccc(N2C[C@H](N)[C@H]3COC[C@H]32)c([N+](=O)[O-])c1 2158362312 NHWXHGFITFSANI-GBIKHYSHSA-N 279.296 0.766 10 10 CCCE Nc1ccc(NC(=O)CN2C[C@H](O)[C@H](F)C2)cc1 2031873174 UJUAVGDJHLFXCX-MNOVXSKESA-N 253.277 0.222 10 10 CCCE Oc1cccc(CN[C@@H]2CO[C@H]3COC[C@@H]23)c1O 2040344419 YFYNRFLDEYIUGS-UMNHJUIQSA-N 251.282 0.601 10 10 CCCE Cn1c(N)c(Sc2nccs2)c(O)nc1=O 309629045 QTEINBKRZNWLBU-UHFFFAOYSA-N 256.312 0.676 10 10 CCCE NCc1ccc(N2CC[C@@H]3C(=O)NC(=O)[C@@H]3C2)cc1F 2158787138 ZMMTWBILDOWAES-WDEREUQCSA-N 277.299 0.383 10 10 CCCE NC(=O)c1coc(CNC(=O)Cc2ccc(N)cc2)n1 2160638050 QBCNBOCHGFRKMW-UHFFFAOYSA-N 274.280 0.215 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC[C@]2(C(=O)O)C[C@H]2C1 2161284608 GIFCBYRPHFYOKA-SDBXPKJASA-N 278.264 0.430 10 10 CCCE COc1cccc(CN[C@@H]2CCN(C3COC3)C2)c1O 2169574363 DRBCVBAEAPABNO-GFCCVEGCSA-N 278.352 0.964 10 10 CCCE CCN1CC[C@H](NC(=O)COc2ccc(N)cc2)C1=O 708650293 VCFLYQIAQHRJMH-LBPRGKRZSA-N 277.324 0.385 10 10 CCCE COC1(C)CN(CC(=O)N(C)c2ccc(N)cc2)C1 382595633 GCKJDAPQEKCWKE-UHFFFAOYSA-N 263.341 0.952 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCc1csnn1 398260760 BNENMYHBGVARIW-VIFPVBQESA-N 294.336 0.136 10 10 CCCE CC[C@H]1CN(C(=O)COc2ccc(N)cc2)C[C@@H]1O 399918293 KLUHIAYHIBGUPF-GWCFXTLKSA-N 264.325 0.877 10 10 CCCE CNCc1ccc(N2CCOC[C@H](O)C2)c(C)c1 399988975 OONOXAIXDVCDGI-CYBMUJFWSA-N 250.342 0.912 10 10 CCCE O=C(NCc1ccc(O)cc1O)C1(CO)CCC1 2064416111 HBZZEGMYTCHGBU-UHFFFAOYSA-N 251.282 0.877 10 10 CCCE C[C@@H](O)[C@H]1CN(CC(=O)Nc2ccc(N)cc2)CCO1 2174141193 NKUJVMBBDJZTJQ-ZWNOBZJWSA-N 279.340 0.289 10 10 CCCE O=C(O)[C@@H]1C[C@H]2CN(C(=O)c3cccc(O)c3O)C[C@H]21 2174296559 IJUMOQWZSKKQLK-FXBDTBDDSA-N 277.276 0.891 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1C[C@H](O)C2(CCCC2)C1 2174391092 URBMZOYGPANCRG-JTQLQIEISA-N 278.308 0.870 10 10 CCCE C[C@H]1C[C@@H](N)CCN1c1cc2c(cc1N)OCC(=O)N2 2191582740 ZVNXULUVDUGEOS-IUCAKERBSA-N 276.340 0.916 10 10 CCCE C[C@H]1CNC[C@H](CNS(=O)(=O)Cc2ccc(N)cc2)C1 2191780088 ANEPKNUWOPTVNA-DGCLKSJQSA-N 297.424 0.934 10 10 CCCE O=C1Nc2cc(N3CC[C@H](O)[C@@H](O)C3)c(Cl)cc2[C@@H]1O 2188676971 DJPWVGAQTRFYPY-SRVKXCTJSA-N 298.726 0.257 10 10 CCCE O=C(NC[C@H]1COCCCO1)c1cc(O)c(O)c(O)c1 2188926206 XYFFSQFJMJONCK-VIFPVBQESA-N 283.280 0.339 10 10 CCCE O=C(N[C@@H]1CC[C@H]2C[C@H]1CN2)c1cc(O)c(O)c(O)c1 2188921109 AIQSSSVLLJKWHH-LPEHRKFASA-N 278.308 0.674 10 10 CCCE O=C1C[C@H](NCCc2ccc(O)c(O)c2)CCN1 2042110857 BUEGFENMPHPNTA-SNVBAGLBSA-N 250.298 0.509 10 10 CCCE C[C@@H](N)c1ccc(N2CC3(C2)OC[C@H](O)[C@@H]3O)c(Cl)c1 2183628313 XQDAVEGTJLCNKQ-JCOFBHIZSA-N 298.770 0.671 10 10 CCCE COc1ccc(CN2C[C@@H](O)C[C@@H](N)C2)c(O)c1 2049121227 RYBPMBRUPFDOQA-MNOVXSKESA-N 252.314 0.295 10 10 CCCE [N-]=[N+]=NCCN[C@@H](C(N)=O)c1ncoc1C1CC1 2050348492 OBOPPICZIXEHSI-MRVPVSSYSA-N 250.262 0.978 10 10 CCCE COC[C@H](C)NC(=O)CN1CCC[C@@H]1CN=[N+]=[N-] 2059054371 WLHGTNXAFAQHIS-VHSXEESVSA-N 255.322 0.912 10 10 CCCE NCc1ccc(N2CCN3CCOC[C@H]3C2)c(F)c1F 2185887904 ORBMZSPDEAYRAR-LLVKDONJSA-N 283.322 0.944 10 10 CCCE C[S@@](=O)C1CN(c2ccc(CO)c([N+](=O)[O-])c2)C1 2068304667 WMEVQBNBPUVUSN-GOSISDBHSA-N 270.310 0.654 10 10 CCCE C[C@@H](O)c1ccc(N2CC[C@@H](O)[C@H](O)C2)c(F)c1 2068405259 FCTKKCSIUOIHTC-BZHVJNSISA-N 255.289 0.811 10 10 CCCE C[C@H](N)[C@H]1C[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2068616917 FFDXPZPSTCIPKZ-UIISKDMLSA-N 252.270 0.269 10 10 CCCE CCN(C[C@H](C)N)C(=O)c1cc(O)c(O)c(O)c1 2068622506 XWZBDBAEKYITOK-ZETCQYMHSA-N 254.286 0.613 10 10 CCCE CCn1nncc1[C@@H](O)[C@@H](NC)c1ccccc1O 2100281203 WKGKQLPOLQRTBE-QWHCGFSZSA-N 262.313 0.998 10 10 CCCE C[C@H]1CN(C(=O)c2cc(O)nc(O)c2)C(C)(C)CN1 2102326529 BZPDREOLKUJAFQ-QMMMGPOBSA-N 265.313 0.705 10 10 CCCE CNCc1cc(F)c(N2C[C@@H](O)C[C@@H](O)C2)c(F)c1 2105075695 UUDRHEWWISLBNC-AOOOYVTPSA-N 272.295 0.616 10 10 CCCE O=C(CS(=O)(=O)[C@H]1CCOC1)c1ccc(O)c(O)c1 2089654713 YKXHSJOHVGBGSF-VIFPVBQESA-N 286.305 0.484 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1C[C@@H](O)[C@@H](C2CC2)C1 2090674678 OZERJZHEFPJNIE-NXEZZACHSA-N 264.281 0.336 10 10 CCCE CO[C@H]1CCN(C(=O)c2cccc(O)c2O)C[C@@H]1OC 2199542346 KXSNFTWSHMZKJQ-RYUDHWBXSA-N 281.308 0.974 10 10 CCCE CCCn1nnnc1CNCc1cccc(O)c1O 2113071881 RWJBDTCDTZBWFZ-UHFFFAOYSA-N 263.301 0.784 10 10 CCCE C[C@H](N)c1ccc(N(C)[C@H]2CC(=O)NC2=O)c(F)c1 2114738454 VYQIARSQXMTEOB-CPCISQLKSA-N 265.288 0.697 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CC[C@]2(C[C@H](O)CO2)C1 2201754497 KGKMRAAONDQNSF-HZMBPMFUSA-N 279.292 0.464 10 10 CCCE COc1cc(N2CC[C@]3(CNC(=O)C3)C2)ccc1CO 2204555456 TUQZPFMGWRUZLC-HNNXBMFYSA-N 276.336 0.904 10 10 CCCE Cn1[nH]c(C2CC2)nc1=NC(=O)c1ccc(O)c(O)c1 2205717285 YHIOVJYJFLWRQP-UHFFFAOYSA-N 274.280 0.778 10 10 CCCE COC[C@@H]1[C@@H](O)[C@H](O)CN1c1ccc2c(c1)CC[C@@H]2N 2234069400 IMKNAAXKEQMPLK-GBJTYRQASA-N 278.352 0.189 10 10 CCCE COC[C@@H]1[C@H](O)[C@H](O)CN1c1ccc(OC2CC2)cc1 2235097937 AXSJXIKQGIBJFI-KFWWJZLASA-N 279.336 0.785 10 10 CCCE COC[C@@H]1[C@H](O)[C@H](O)CN1c1ccc([C@@H](C)O)cc1 2225516894 GQKKCCNLLJZXFG-JXJLXUTGSA-N 267.325 0.297 10 10 CCCE COc1cc(N2CC(N3CCOC3=O)C2)ccc1CO 2235683286 JKRYTGPRHRIBDO-UHFFFAOYSA-N 278.308 0.828 10 10 CCCE Nc1cc2c(cc1N1C[C@H](O)C[C@@H](F)C1)OCCO2 2226314867 LUYNLCRLBYYZGH-RKDXNWHRSA-N 268.288 0.949 10 10 CCCE Nc1ccc(O)c(CN2C[C@@H]3C[C@H](O)[C@@H](O)C[C@H]3C2)c1 2236979306 MPAXFOMVJPDISZ-CHPZLBCBSA-N 278.352 0.538 10 10 CCCE C[C@]1(CO)C=CCN1c1cc2c(cc1F)[C@H](O)C(=O)N2 2237168319 BMHYSEGEYCFXNL-GXTWGEPZSA-N 278.283 0.938 10 10 CCCE CSc1ncc(CNC[C@@H](O)CN(C)C)s1 2243768803 QXULNKUPMUVQKQ-MRVPVSSYSA-N 261.416 0.877 10 10 CCCE Cc1cc(N2CCOC[C@H]2[C@@H](O)CO)ccc1[C@@H](C)O 2285176474 ORYCABIOBDIOLR-UGFHNGPFSA-N 281.352 0.607 10 10 CCCE [N-]=[N+]=NCCN[C@@]1(C(N)=O)CCC[C@H]2CC[C@H]1O2 2256517176 JCOSBMOOXLOOOR-NGZCFLSTSA-N 253.306 0.842 10 10 CCCE O=C(O)[C@@H]1C[C@H]2[C@H]1CCN2C(=O)c1cc(O)nc(O)c1 2286390382 SXDLCPBFFQORIZ-YIZRAAEISA-N 278.264 0.428 10 10 CCCE C[C@@H](NC(=O)COc1ccc(N)cc1)[C@H]1CCCN1 2271329966 ZVTKWOHTEFSTQM-ZWNOBZJWSA-N 263.341 0.904 10 10 CCCE COc1cccc(O)c1CN1C[C@@H](O)CC[C@@H]1C(=O)O 2279206237 JIDHJHLPVXLHSP-GXSJLCMTSA-N 281.308 0.811 10 10 CCCE COc1cccc(O)c1CN1C[C@@H](O)CC[C@H]1C(=O)O 2279206240 JIDHJHLPVXLHSP-ONGXEEELSA-N 281.308 0.811 10 10 CCCE OCc1ccc(N2C[C@@H]3OC[C@H](CO)O[C@H]3C2)c(F)c1 2279783031 XAYMUZTXOXCTAL-BPNCWPANSA-N 283.299 0.283 10 10 CCCE CN(Nc1nc(C(N)=O)cs1)S(=O)(=O)C1CCC1 2317449768 BXJUCSQWAXIAKV-UHFFFAOYSA-N 290.370 0.383 10 10 CCCE CN(CC(=O)N(C)c1ccc(N)cc1)CC1(O)CC1 2340250793 CRCWCEQOKNFRFI-UHFFFAOYSA-N 263.341 0.688 10 10 CCCE CN(c1cc2c(cc1N)OCCO2)[C@@H]1CNC[C@@H]1F 2343622143 MYIGOLNPBSULBN-GZMMTYOYSA-N 267.304 0.786 10 10 CCCE C[C@H](N)c1ccc(N2C[C@@H]3C[C@H](O)[C@H](O)[C@@H]2C3)cc1O 2355336975 XEBONLPBMDZBOY-FGBYBXMZSA-N 278.352 0.732 10 10 CCCE COCCN(CCO)c1c(F)cc(CN)cc1F 133624762 GQCDTSYCXAMARG-UHFFFAOYSA-N 260.284 0.869 10 10 CCCE CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[C@@H](O)CN1 37807415 RCKGTMMJVWINMD-HUUCEWRRSA-N 291.395 0.824 10 10 CCCE COC[C@H](NC(=O)c1cc(O)c(O)c(O)c1)C1CC1 1148590301 GSUMJIQISMFMBM-VIFPVBQESA-N 267.281 0.958 10 10 CCCE COC[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)C1CC1 1148590299 GSUMJIQISMFMBM-SECBINFHSA-N 267.281 0.958 10 10 CCCE Nc1ccc(OCCC(=O)OCCN2CCNC2=O)cc1 41100721 VEIVBQMHMMFDAS-UHFFFAOYSA-N 293.323 0.606 10 10 CCCE CN1C[C@H](NC(=O)CCOc2ccc(N)cc2)CCC1=O 84058764 CUNWEFDJANAZDW-GFCCVEGCSA-N 291.351 0.775 10 10 CCCE C[C@H]1N[C@H](c2cc(O)cc(Br)c2O)NC1=O 381527597 XKEXWVHJJPVQNL-MOFOKWOHSA-N 287.113 0.967 10 10 CCCE CN1CCO[C@H](CN2CCN(c3ccc(N)cc3)C2=O)C1 92061281 RBQFRAZZEMRGMF-AWEZNQCLSA-N 290.367 0.841 10 10 CCCE COC(=O)[C@H](NCCCN=[N+]=[N-])c1cncn1C 90259463 HIZZTXFQPUIQDI-SECBINFHSA-N 252.278 0.924 10 10 CCCE CCN1CCC[C@](NCCN=[N+]=[N-])(C(N)=O)CC1 90257820 AIMGNXWXHWHUNQ-LLVKDONJSA-N 254.338 0.616 10 10 CCCE CN1CCCc2cc([C@H](NN)[C@H]3COCCO3)ccc21 2163149454 JWRKIWGDYYKTNF-CABCVRRESA-N 277.368 0.989 10 10 CCCE CN(C)c1ccc(Cn2nnn(C3CC3)c2=O)cc1 814766695 OTMQMITWUYUSAD-UHFFFAOYSA-N 259.313 0.889 10 10 CCCE COC(=O)[C@]1(NCCN=[N+]=[N-])C[C@H]2[C@@H]1[C@H]1CC[C@H]2O1 2132130679 HZGUNAKUBRQSQE-CDPPZIPSSA-N 266.301 0.995 10 10 CCCE CCC[C@H](NC(=O)c1cc(O)c(O)c(O)c1)C(N)=O 2132409949 JCSBKVNQRILBKN-ZETCQYMHSA-N 268.269 0.187 10 10 CCCE O=C(Nc1nccc(F)n1)c1cc(O)c(O)c(O)c1 2132407309 OHZNTBZGCWXMKR-UHFFFAOYSA-N 265.200 0.985 10 10 CCCE O=C(NCCn1cncn1)NCc1c(O)cccc1F 916136013 OVJNAQKWIFEGBY-UHFFFAOYSA-N 279.275 0.622 10 10 CCCE CC[C@H](NC(=O)c1cc(O)nc(O)c1)C(=O)OC 385354971 WTXJVDHEGNEPKS-ZETCQYMHSA-N 254.242 0.174 10 10 CCCE O=C(NCc1c(O)cccc1F)C1CN([C@@H]2CCOC2)C1 928709250 CEHBFVVEGMAZKH-LLVKDONJSA-N 294.326 0.868 10 10 CCCE CC(=O)C(=O)COC(=O)c1ncc2n1CCCC2 870012270 HAGUXSUQJUWJCM-UHFFFAOYSA-N 250.254 0.534 10 10 CCCE NC(=O)c1cccc(N)c1N[C@@H]1CCN[C@H]2CC[C@@H]21 1876498207 FDMHCQGPCQBZEG-KPXOXKRLSA-N 260.341 0.920 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@H]2CC[C@H](N)CC2)cc1 1876408914 LAMUEBDXDXUQIB-JOCQHMNTSA-N 283.397 0.958 10 10 CCCE Nc1ccc(OCC(=O)NC[C@@H]2CC[C@H](N)C2)cc1 1876521201 LAHJEOSFZRMTAY-PWSUYJOCSA-N 263.341 0.891 10 10 CCCE C[C@H](N)c1cc(F)c(N2C[C@H](O)C[C@@H]2CO)c(F)c1 1880924586 SQIFSXPYZZCUHZ-FXBDTBDDSA-N 272.295 0.916 10 10 CCCE CC(=O)c1cn(CC(=O)NCc2ccc(O)cc2O)nn1 1162279251 XMQXQTCVBPMGSQ-UHFFFAOYSA-N 290.279 0.208 10 10 CCCE COC(=O)c1nonc1NCc1ccc(O)cc1O 83480465 FASFWAJCKOBECP-UHFFFAOYSA-N 265.225 0.880 10 10 CCCE Cn1c(C(=O)NCc2cccc(O)c2O)cnc1O 1176576983 WNGVYYXNQDTETR-UHFFFAOYSA-N 263.253 0.467 10 10 CCCE CN1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)Cc1ccc(N)cc1 687231098 LIZUDGUZKWVKTB-OKILXGFUSA-N 295.408 0.877 10 10 CCCE CN1CCN(c2ccc(CO)cc2Cl)C[C@H]1CO 687593163 KCFIMNIXHUEJBE-NSHDSACASA-N 270.760 0.945 10 10 CCCE CN[C@H](C)c1ccc(N2C[C@H](O)C[C@H]2CO)cc1 698228208 MONKXLYDCHZIMX-DDTOSNHZSA-N 250.342 0.899 10 10 CCCE Nc1ccc(OCC(=O)N2C[C@@H]3C[C@H](C2)C3O)cc1 2116296541 HDHXOGHVASEQFA-XFLKPENQSA-N 262.309 0.487 10 10 CCCE Nc1ccc(OCC(=O)NC[C@@H]2NC[C@H]3C[C@H]32)cc1 1905947562 RJYAODLZBMGOFA-WQAKAFBOSA-N 261.325 0.372 10 10 CCCE Cn1cnnc1CNC(=O)Cc1ccc(O)c(O)c1 1543403870 FOOQRMFDQPDXGK-UHFFFAOYSA-N 262.269 0.085 10 10 CCCE CCOCCOCC(=O)NCc1cc(O)ccc1O 1637126479 ZZDMXMQKXFJORB-UHFFFAOYSA-N 269.297 0.767 10 10 CCCE CN(Cc1cn(C)nn1)C(=O)/C=C/c1ccc(O)c(O)c1 1633017509 ITGSKVLKFJFUBV-GQCTYLIASA-N 288.307 0.898 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN1C[C@H](O)CN1CCCC1=O 2123018200 KCXXJVLEURMFHR-MNOVXSKESA-N 267.333 0.744 10 10 CCCE O=C(C[C@H]1COC(=O)C1)NCc1c(O)cccc1O 1652625791 MJYYOUCKDMYQTC-MRVPVSSYSA-N 265.265 0.667 10 10 CCCE COc1cccc(O)c1CNCCN(C)S(C)(=O)=O 1964575452 FKRDQVRTPNSGDL-UHFFFAOYSA-N 288.369 0.382 10 10 CCCE O=C1NC(=O)C(/N=N/c2ccc([N+](=O)[O-])cc2)C(=O)N1 8397552 JKDKZPYCVQEDIA-BUHFOSPRSA-N 277.196 0.413 10 10 CCCE CN(c1cc2c(cc1F)[C@H](O)C(=O)N2)C1(CO)CC1 2128184548 TZPMUUCRKWZCEZ-NSHDSACASA-N 266.272 0.772 10 10 CCCE C[C@H](N)c1ccc(N(C)Cc2nnn(C)n2)cc1O 1892993431 UTYQMKODUSSRPC-QMMMGPOBSA-N 262.317 0.572 10 10 CCCE CC(=CCNC(=O)c1cc(O)nc(O)c1)C(=O)O 1912118437 MKJGVQLUOGCCNP-UHFFFAOYSA-N 252.226 0.254 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCN1S(=O)(=O)N1CC[C@@H](O)C1 1912184796 HYNTZSIJCFZYPI-DTWKUNHWSA-N 275.334 0.073 10 10 CCCE C[C@@H]1[C@@H](O)CCN1CC(=O)c1ccc(O)c(O)c1 1914258699 YELIWBBKNAIZQF-SCZZXKLOSA-N 251.282 0.736 10 10 CCCE COc1ccc(O)c(CNCCc2cn(C)nn2)c1 1967723283 JHRZOMMMEPENTO-UHFFFAOYSA-N 262.313 0.862 10 10 CCCE CN(C)[C@H]1COC[C@@H]1CNC(=O)Cc1ccc(N)cc1 1924640409 AHKAUNXHJNYLNU-JSGCOSHPSA-N 277.368 0.504 10 10 CCCE C[S@@](=O)(=NC(=O)c1ccc(O)c(O)c1)C1CNC1 1924619741 KQZHCWSSKMLYMD-SFHVURJKSA-N 270.310 0.308 10 10 CCCE Nc1ccc(CC(=O)NC[C@@]23CC[C@@H](C2)C(=O)N3)cc1 1967274818 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N[C@H]1CC[C@H](NC(=O)Cc2ccc(O)c(O)c2)C1 2027473853 CPOALNBINQXLJZ-UWVGGRQHSA-N 250.298 0.636 10 10 CCCE CN[C@@H]1C[C@@H](C)N(C(=O)c2cccc(O)c2O)C1 2028482899 ZXNWOWSEIFAMHY-RKDXNWHRSA-N 250.298 0.920 10 10 CCCE COc1ccc(O)c(CN[C@@H]2CN(C)C[C@@H]2O)c1 2029865845 DQJGBYSSOODHLJ-YPMHNXCESA-N 252.314 0.165 10 10 CCCE Nc1ccc(CC(=O)N2CC[C@@H]3C(=O)NC[C@H]3C2)cc1 2157191322 QNHPVCFCMNIEGG-AAEUAGOBSA-N 273.336 0.406 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3[C@H]4CC[C@H]3[C@H](CO)C4)ccc21 2157228907 BODSFQGQQPFPFQ-WBRVRECLSA-N 273.336 0.988 10 10 CCCE Cc1cc(N2CCOC[C@H](CO)C2)ccc1CO 2036963094 FCZNLVMOLQZQOY-LBPRGKRZSA-N 251.326 0.932 10 10 CCCE C[C@H]1CN(C(=O)c2ccc(O)c(O)c2)[C@H]1C(=O)O 2038181143 NDVAFYRFBQDUJQ-QUBYGPBYSA-N 251.238 0.643 10 10 CCCE CO[C@@]1(CO)CCN(C(=O)c2ccc(O)c(O)c2)C1 401890095 WWQKZAUJKZDTIN-ZDUSSCGKSA-N 267.281 0.321 10 10 CCCE CCCNCc1ccc(N2C[C@@H](O)[C@H](CO)C2)cc1 316971909 PNLVEKRGSDGZOI-DZGCQCFKSA-N 264.369 0.976 10 10 CCCE C[S@](=O)CC[S@@](=O)CCOc1ccc(N)cc1 319456233 OVXPKJSUTRUJRT-IRXDYDNUSA-N 275.395 0.775 10 10 CCCE COc1ccc(O)c(CNC[C@H]2CN(C)CCO2)c1 91667023 LTKWBXRBZUJNBY-ZDUSSCGKSA-N 266.341 0.821 10 10 CCCE Nc1ccc(CCC(=O)N2CC[C@@H](S(N)(=O)=O)C2)cc1 707504367 JRBWTEHAIKZZEM-GFCCVEGCSA-N 297.380 0.091 10 10 CCCE COc1ccc(N2CCC(N)(C(N)=O)CC2)c(OC)c1 2162631092 MTOGSOFMFVPRNJ-UHFFFAOYSA-N 279.340 0.487 10 10 CCCE Oc1ccc(Cl)cc1CNCCn1ncnn1 379752182 APWIDQDDHAXZDT-UHFFFAOYSA-N 253.693 0.822 10 10 CCCE CO[C@@H]1CNC[C@H]1S(=O)(=O)Nc1ccc(O)cc1 722212294 BVBSEMYOMIRQFA-GHMZBOCLSA-N 272.326 0.121 10 10 CCCE CN(C(=O)c1cccc(O)c1O)[C@]1(C(=O)O)CCOC1 383599207 HULRJVXROJWAEW-CYBMUJFWSA-N 281.264 0.414 10 10 CCCE COC[C@@](C)(CO)NCc1cc(OC)ccc1O 716884707 JGXWIWZKCOOJDV-CYBMUJFWSA-N 255.314 0.888 10 10 CCCE C[C@H](O)[C@@H](C)NC(=O)c1ccn(-c2ccc(N)cc2)n1 386985172 JDUPEWYJOAGUPZ-ZJUUUORDSA-N 274.324 0.954 10 10 CCCE C[C@H](N[C@@H]1CN(C)NC1=O)c1cc(F)ccc1O 393894262 NVCZGOSGUAUITL-OIBJUYFYSA-N 253.277 0.527 10 10 CCCE C[C@H](NCC(C)(CO)CO)c1c(O)cccc1O 393900003 HJLQUKBXSMPYLH-VIFPVBQESA-N 255.314 0.739 10 10 CCCE O=C1NC(=O)[C@@]2(CCN(Cc3c(O)cccc3Cl)C2)N1 768911517 AMISLCPNBMNSGB-ZDUSSCGKSA-N 295.726 0.830 10 10 CCCE C[C@@H](N)c1ccc(N2CCN(C[C@H](O)CO)CC2)cc1 2178029634 HVQUQANHDPCWKL-DOMZBBRYSA-N 279.384 0.182 10 10 CCCE CN1CCc2cc(CN3CC[C@@H](N)[C@@H](CO)C3)ccc21 2178906654 LGSHOJJTNBDDDN-HUUCEWRRSA-N 275.396 0.820 10 10 CCCE OC[C@]1(NCc2cccc(O)c2O)C[C@@H](O)C12CCC2 2193971227 RSXCXOVIZNBBPB-IUODEOHRSA-N 279.336 0.853 10 10 CCCE Nc1cccc(C(=O)O)c1N[C@H]1CCOC[C@@H]1O 2046421710 JFXKLOSHLLJQFC-UWVGGRQHSA-N 252.270 0.529 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1C[C@H]2C[C@H]1C[C@H]2O 2052021661 XQZFIMTXLLMNIW-HRDYMLBCSA-N 250.254 0.088 10 10 CCCE NCc1ccc(N2CC[C@H]3OCC(=O)N[C@H]3C2)cc1F 2185520611 DIERCCNNMWVEIN-QWHCGFSZSA-N 279.315 0.378 10 10 CCCE NC(=O)[C@@H]1OCC[C@H]1NCc1c(O)cccc1Cl 2053788083 FFJUMIYOYFUBKN-MWLCHTKSSA-N 270.716 0.778 10 10 CCCE CNCc1ccc(N2CCO[C@@H]([C@@H](C)O)C2)cc1 2053847876 QETDJMHSCWUPKQ-BXUZGUMPSA-N 250.342 0.992 10 10 CCCE C[C@@H](CO)CS(=O)(=O)N(C)Cc1ccccc1O 2063622675 JSLBWNGNRKUYMJ-JTQLQIEISA-N 273.354 0.782 10 10 CCCE CN(C[C@H]1CNCCO1)C(=O)COc1ccc(N)cc1 2191713401 CJWVCTDGEDYRRW-CYBMUJFWSA-N 279.340 0.094 10 10 CCCE C[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)C1CNC1 2068624194 NDJNHAPMAFOBQT-ZCFIWIBFSA-N 252.270 0.141 10 10 CCCE CCN1C[C@@H](O)[C@H](N(C)Cc2ccccc2O)C1 2072449897 DTHYBGNDIUMJCG-TZMCWYRMSA-N 250.342 0.889 10 10 CCCE NC(=O)COCCNCc1ccc2c(c1)CCCO2 2087530727 QGZSXLVBRGRDJO-UHFFFAOYSA-N 264.325 0.603 10 10 CCCE C[C@@H](C(=O)Nc1ccc(N)cc1)N1C[C@](C)(O)CO1 2093403096 UYFFKFTWLDOZSX-ZANVPECISA-N 265.313 0.594 10 10 CCCE COc1ccc(O)c(CN[C@@H]2CN(C)C[C@H]2OC)c1 2095434213 LJGXIHKAOMAKMR-TZMCWYRMSA-N 266.341 0.819 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC[C@H](O)CC12CC2 2113582810 GCMVIAMGYWOZSN-VIFPVBQESA-N 264.281 0.622 10 10 CCCE C[C@H](c1cc(F)ccc1O)N1CC(=O)NC[C@@H]1C(=O)O 2201034743 AJIJSJBJJIHUHS-GMSGAONNSA-N 282.271 0.477 10 10 CCCE COc1cc(N)c(N2C[C@H](O)[C@H](O)[C@@H]2CF)cc1OC 2205599875 NRACEFZHPKPBHG-OUJBWJOFSA-N 286.303 0.166 10 10 CCCE COc1ccc(N2CC[C@@H](N3CC(O)C3)C2)c(OC)c1 2235121435 UBVKNHJFCUHZLO-LLVKDONJSA-N 278.352 0.959 10 10 CCCE COc1ccc(N2CC[C@@H](O)[C@@H](CO)C2)c(OC)c1 2226807940 STEIPQGAYVPGES-ZWNOBZJWSA-N 267.325 0.883 10 10 CCCE COc1ccc(N2C[C@@H]3CN[C@H](CO)[C@H]3C2)c(N)c1 2227312875 NYBLLLGGQQHEEE-XHVZSJERSA-N 263.341 0.294 10 10 CCCE CN(C)c1ccc(O[C@](C)(COCCN)C(=O)O)cc1 2237688385 ZCGJUPQSJLVTMQ-CQSZACIVSA-N 282.340 0.950 10 10 CCCE COc1ccc(N2CC3(CCC(=O)N3)C2)c(C(=O)O)c1 2238021265 QRCPVOSYHRKFBW-UHFFFAOYSA-N 276.292 0.862 10 10 CCCE COc1ccc(N2C[C@H]3CCO[C@]3(CO)C2)c(CN)c1 2239800165 GVGKSYALXMPMDR-DOMZBBRYSA-N 278.352 0.742 10 10 CCCE COc1ccc(N2CC[C@@H](O)[C@H](O)CC2)c(CN)c1 2269137651 LCKMAQHHWYKZDF-ZIAGYGMSSA-N 266.341 0.476 10 10 CCCE Cc1cc(NS(=O)(=O)[C@H]2CC[C@H]2N)ccc1O 2300756831 HBSIQINXXMEZMT-KOLCDFICSA-N 256.327 0.932 10 10 CCCE COc1ccc(N(C)[C@@]2(C(=O)O)CN[C@H]2C)cc1 2323458816 PLHFVUXEZWTMJS-ZANVPECISA-N 250.298 0.947 10 10 CCCE OCc1ccc(N2CC[C@@H]3C[C@H]2[C@H](O)[C@H]3O)c(F)c1 2332589319 TZQOZDUSDRAKKP-HYNSBDGHSA-N 267.300 0.638 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1C[C@@H]2C[C@H](O)[C@H](O)[C@H]1C2 2355343740 CJLVJIPNSXORJM-UWIAMKHRSA-N 279.292 0.054 10 10 CCCE Nc1ccc(OCCC(=O)N2C[C@H]3CC[C@@H]2[C@@H]3N)cc1 2357179464 YZLDHZXIKWLGGP-WDBKCZKBSA-N 275.352 0.986 10 10 CCCE O=C(NCCN1CCCC1)c1cccc(O)c1O 126386914 WXNLVOYAHGLEON-UHFFFAOYSA-N 250.298 0.923 10 10 CCCE Nc1ccc(CC[S@](=O)CC(=O)NC2CC2)cc1 306007316 QQIXHKGUCHGGOJ-SFHVURJKSA-N 266.366 0.839 10 10 CCCE O=C(O)[C@@H]1CSCN1C(=O)c1cccc(O)c1O 125992975 DXWDFNPSJLBIGC-ZETCQYMHSA-N 269.278 0.698 10 10 CCCE C[C@H]1CN(C)CCN1C(=O)c1cccc(O)c1O 229165318 BFVSPTDFMBJNLJ-VIFPVBQESA-N 250.298 0.874 10 10 CCCE COC[C@@H]1CCN(C(=O)[C@@H](N)Cc2ccc(O)c(O)c2)C1 81061956 DRIIUKPSVMGLKH-NEPJUHHUSA-N 294.351 0.463 10 10 CCCE Cc1ccc(C(=O)N2CCCN(C)C(=O)C2)c(O)c1O 190378003 XCBVHQROSHEVAX-UHFFFAOYSA-N 278.308 0.711 10 10 CCCE C[C@H](c1c(O)cccc1O)N1CCS(=O)(=O)CC1 235176695 LEPNFYASSWMCNA-SECBINFHSA-N 271.338 0.889 10 10 CCCE CCN1CCO[C@@H](COC(=O)COc2ccc(N)cc2)C1 92060886 RLHXBWNJTVXHGB-CQSZACIVSA-N 294.351 0.912 10 10 CCCE COc1ccc(N2CCN(C[C@@H]3COC[C@@H]3N)CC2)cc1 90385546 OUSVWGYYNQGJJR-CJNGLKHVSA-N 291.395 0.791 10 10 CCCE C[C@@H](O)C(C)(C)NS(=O)(=O)Cc1ccc(N)cc1 144767905 BJVCBRMHNVGMFJ-SECBINFHSA-N 272.370 0.848 10 10 CCCE N[C@@H](Cc1c(O)c(O)cc(F)c1Br)C(=O)O 258388632 ANZWGIMPAMUACN-YFKPBYRVSA-N 294.076 0.954 10 10 CCCE CCCN(CC(N)=O)CC(=O)N(C)c1ccc(N)cc1 383350947 ZTJMQQLRBOPUBM-UHFFFAOYSA-N 278.356 0.429 10 10 CCCE CC(=O)C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] 808013932 UDGZUZLDPCEJAQ-UHFFFAOYSA-N 251.194 0.944 10 10 CCCE Oc1cc2c(cc1CNCC[C@H]1COC[C@H]1O)OCO2 2167632978 AIHRIEJOAIKPBP-JOYOIKCWSA-N 281.308 0.608 10 10 CCCE COC[C@H](O)CN(C)c1ccc(CO)c([N+](=O)[O-])c1 2132052033 AIOPELISOOIORV-LLVKDONJSA-N 270.285 0.531 10 10 CCCE CCN1CC[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)C1 2132350022 JPDOANWFUYQXHB-SECBINFHSA-N 266.297 0.627 10 10 CCCE CO[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)C[C@H]1F 2132414529 XWPSLUATHXRUHP-GMSGAONNSA-N 271.244 0.612 10 10 CCCE C[C@H]1CCN[C@H]1CNC(=O)c1cc(O)c(O)c(O)c1 2132402428 YVMFOPKEKOKSNQ-CBAPKCEASA-N 266.297 0.531 10 10 CCCE C[C@@H](NC(=O)CC(N)=O)c1ccc(N2CCOCC2)cc1 746167139 AQHHZVPNXOONJD-LLVKDONJSA-N 291.351 0.576 10 10 CCCE Cc1nn(CC(=O)NCc2ccc(N(C)C)cc2)c(=O)o1 849984529 ZAJFYTGFHQFHRJ-UHFFFAOYSA-N 290.323 0.527 10 10 CCCE C[C@@H](O)c1ccc(N2CCN(CC(N)=O)CC2)cc1 700776395 GMFBEGAFMXKICZ-LLVKDONJSA-N 263.341 0.347 10 10 CCCE CCN(OC)C(=O)CNCc1c(O)cccc1OC 842768094 HJNCONJWZFITHT-UHFFFAOYSA-N 268.313 0.900 10 10 CCCE CC(C)(C(N)=O)C(=O)NCc1c(O)cccc1F 928707698 GWHUFWSICWLVHD-UHFFFAOYSA-N 254.261 0.659 10 10 CCCE O=C(NCCN1CCNC1=O)NCc1c(O)cccc1F 924047700 WTHQLPCOZZYAGW-UHFFFAOYSA-N 296.302 0.356 10 10 CCCE CC(=O)C(=O)COC(=O)[C@@]1(CC(C)C)CCNC1=O 869734339 ZIJVVHQPWPPRAB-CYBMUJFWSA-N 269.297 0.240 10 10 CCCE CN1C[C@@H](C(=O)N2Cc3cccc(O)c3C2)NC1=O 871206051 PVBSFKIXWOWFOV-JTQLQIEISA-N 261.281 0.258 10 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10 10 CCCE CC[C@@H](C)[C@@H](N)CNC(=O)c1cc(O)c(O)c(O)c1 2132417089 BGTFPGLKBBHPOM-APPZFPTMSA-N 268.313 0.907 10 10 CCCE COC(=O)[C@@H](F)CNC(=O)c1c(F)ccc(O)c1O 839796718 DPLUCNJDHRQAET-LURJTMIESA-N 275.207 0.478 10 10 CCCE COCCOCCNC(=O)NCc1c(O)cccc1F 914203639 MJEMVWUGFBZFMC-UHFFFAOYSA-N 286.303 0.994 10 10 CCCE Oc1cc2c(cc1CN1CCn3nncc3C1)[C@H](O)CO2 848494318 VAJVOOATLYUGTD-CYBMUJFWSA-N 288.307 0.425 10 10 CCCE CN1C[C@H](COC(=O)Cc2ccc(N)cc2)CC1=O 686316770 MRWPOIFJGYKBNW-LLVKDONJSA-N 262.309 0.833 10 10 CCCE CC(=O)C(=O)COC(=O)C[C@H]1NC(=O)c2ccccc21 853961028 VFTSGVGIBHEUJO-LLVKDONJSA-N 275.260 0.563 10 10 CCCE C[C@@H](O)[C@@H](O)CNCc1cc(F)c(N(C)C)cc1F 864052856 QJWIQQCABMUALL-OQPBUACISA-N 274.311 0.862 10 10 CCCE NC[C@H]1CCC[C@H]1NC(=O)COc1ccc(N)cc1 1876508701 GCJJFDNLDWFHCI-ZWNOBZJWSA-N 263.341 0.891 10 10 CCCE COC(CNC(=O)CCOc1ccc(N)cc1)OC 1876438148 RQQNRJMQRMTPJY-UHFFFAOYSA-N 268.313 0.773 10 10 CCCE Nc1ccc(CS(=O)(=O)NCCC2CC(N)C2)cc1 1876468447 WSKJOESDUPOJHC-UHFFFAOYSA-N 283.397 0.816 10 10 CCCE O=C(c1cc(O)cs1)N1CCS(=O)(=O)CCO1 1124110485 XGNMQMXKZPOAKU-UHFFFAOYSA-N 277.323 0.256 10 10 CCCE CCOc1ccc(N2CC(=O)N(CC(=O)O)C(=O)C2)cc1 74413548 BMAOBPKSOXUYFH-UHFFFAOYSA-N 292.291 0.345 10 10 CCCE Nc1ccc(OCCCS(=O)(=O)CCCO)cc1 58262766 RRFLLODAZJVTKP-UHFFFAOYSA-N 273.354 0.835 10 10 CCCE O=C(O)CNCc1ccc(N2CCNCC2)cc1F 84846850 XJAQQTYZFHZOHU-UHFFFAOYSA-N 267.304 0.410 10 10 CCCE CC(=O)NC(C)(C)C(=O)NCc1cc(O)ccc1O 1176748666 YWFCVLKOKWZLCI-UHFFFAOYSA-N 266.297 0.629 10 10 CCCE O=C(N[C@@]12CC[C@H]1CNC2)c1cc(O)c(O)c(O)c1 2132402508 ZCZXVROQLQWCTJ-ISVAXAHUSA-N 264.281 0.285 10 10 CCCE C[C@@H](NCc1cccc(Br)c1O)[C@H](O)CO 698981034 YGPZHPODWARLDG-GMSGAONNSA-N 290.157 0.986 10 10 CCCE CN[C@@H](C)c1ccc(N2CC(=O)NC(=O)C2)cc1O 93671953 BQAYSLZVZBLDIY-QMMMGPOBSA-N 263.297 0.135 10 10 CCCE COc1ccc([C@H](C)NCc2nc(=O)o[nH]2)c(O)c1 2116164520 MKHIPZWJBAUUMC-ZETCQYMHSA-N 265.269 0.928 10 10 CCCE O=C(CCN1C(=O)CCC1=O)NCc1ccc(O)cc1O 1469158805 FVAQQBZUZCJNNP-UHFFFAOYSA-N 292.291 0.253 10 10 CCCE O=S1(=O)C[C@@H]2C(CNCc3cccc(F)c3O)[C@H]2C1 2117990183 OPYPAQQGHLXAIZ-GHMZBOCLSA-N 285.340 0.912 10 10 CCCE Nc1ccc(CCNC(=O)[C@H]2C=C[C@H]2C(=O)O)cc1 2119953120 JRAXQKVDBXOKGP-NWDGAFQWSA-N 260.293 0.814 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@]12CCCN(CC1)C2 1632724064 LRSOAASKCGFYMM-HNNXBMFYSA-N 276.336 0.995 10 10 CCCE CN(CCN=[N+]=[N-])C(=O)[C@H](C1CC1)S(C)(=O)=O 2299469828 INSKNQKMCQZPKL-QMMMGPOBSA-N 260.319 0.578 10 10 CCCE C[C@@H](NCC1CN(C(N)=O)C1)c1c(O)cccc1O 2124815655 YSWZQMWSWYAXME-MRVPVSSYSA-N 265.313 0.759 10 10 CCCE C[C@H](O)c1ccc(N2C[C@@H]3C[C@H](C2)[C@@H](O)[C@@H]3O)cc1 2126155877 KJSVHLAIHWRAEX-PRHQYYMVSA-N 263.337 0.918 10 10 CCCE C[C@H]1C(=O)NC(=O)CN1c1ccc2c(c1)CC[C@@H]2N 2128326635 JKOURNQTTRWTSJ-UFBFGSQYSA-N 259.309 0.484 10 10 CCCE CN1CC[C@@H]1CN(C)S(=O)(=O)Cc1ccc(N)cc1 2129904146 DLKCUHJFDUBFIW-CYBMUJFWSA-N 283.397 0.735 10 10 CCCE CN(C)c1ccc(C=CC(=O)NC[C@H](N)C(=O)O)cc1 1911822994 DNDYLVRUBMWBFQ-LBPRGKRZSA-N 277.324 0.294 10 10 CCCE CN1CC[C@@](NCCCN=[N+]=[N-])(C(N)=O)C1(C)C 1912182294 ZTPZJVHHUDATMK-LLVKDONJSA-N 254.338 0.615 10 10 CCCE NCc1cc(F)c(N2CC(CO)(CO)C2)c(F)c1 1914970664 GTRQZDGXSXNJEZ-UHFFFAOYSA-N 258.268 0.215 10 10 CCCE CN[C@@H](C)c1ccc(N2CCO[C@@H](CO)C2)cc1O 221133600 DSQFNJIVQFRKMT-CMPLNLGQSA-N 266.341 0.870 10 10 CCCE CC(=O)C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)[C@H]1C 1919349166 MCFDUJUKWOGGRN-ZANVPECISA-N 271.313 0.905 10 10 CCCE CC1(C)CN(C(=O)Cc2ccc(N)cc2)CC(=O)N1 1966967625 LKOKXOSZLLBHTO-UHFFFAOYSA-N 261.325 0.548 10 10 CCCE CC(=O)N[C@@H]1CCN(CC(=O)c2ccc(O)c(O)c2)C1 228300177 KSCNWYBPNXMDNI-LLVKDONJSA-N 278.308 0.491 10 10 CCCE N=C(C[C@@H](O)CNCc1ccc2c(c1)CCO2)NO 2139693102 SJGOWMITVITQPF-LLVKDONJSA-N 265.313 0.418 10 10 CCCE C[C@@](N)(CNC(=O)c1cc(O)nc(O)c1)C1CCC1 2137693564 APLUAWWFUXXRHB-CYBMUJFWSA-N 265.313 0.740 10 10 CCCE C[C@@H]1CCN(c2ccc(CO)cc2[N+](=O)[O-])[C@H]1C(N)=O 2146450393 DWCWYPUFXCNIJR-PRHODGIISA-N 279.296 0.787 10 10 CCCE CCOC(=O)[C@]1(c2cccc(O)c2O)CCNC1 1951724294 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COC1(C(N)=O)CN(CCCOc2ccc(N)cc2)C1 2161184172 UQGBBHGRAAZNFH-UHFFFAOYSA-N 279.340 0.224 10 10 CCCE O=C(CN1CCC[C@@H]1[C@@H](O)CO)c1ccc(O)c(O)c1 2179799136 MWAMFPOCYOPULO-YGRLFVJLSA-N 281.308 0.098 10 10 CCCE C[S@](=O)C1(CNC(=O)c2ccc(O)c(O)c2)CC1 380149528 WBFFWBRTHPBVKJ-SFHVURJKSA-N 269.322 0.739 10 10 CCCE Nc1ccc(N2CCN([C@H]3CCNC3=O)CC2)cc1 691408740 AHCWPOANGBLHGG-ZDUSSCGKSA-N 260.341 0.279 10 10 CCCE CCS(=O)(=O)NCCNC(=O)Nc1ccc(N)cc1 390273494 BJTKMPAZUJLRDC-UHFFFAOYSA-N 286.357 0.330 10 10 CCCE NCc1cn(C2CN(Cc3ccc(O)cc3O)C2)nn1 713363764 OFKBEEFJYDGZBD-UHFFFAOYSA-N 275.312 0.205 10 10 CCCE O=C(O)[C@@H]1[C@H]2CCN(C(=O)c3ccc(O)c(O)c3)C[C@H]21 721669477 SLOIKCKBLUECER-YGOYTEALSA-N 277.276 0.891 10 10 CCCE C[C@@H]1C[S@@](=O)CCN1C[C@H](O)COc1ccc(N)cc1 2171966522 WBKRHPLHTFIWFY-RZZGRXHGSA-N 298.408 0.461 10 10 CCCE Nc1ccc(OCC(=O)N2CCOC[C@H]2CCO)cc1 694959158 NMPVDAKYRICVSK-GFCCVEGCSA-N 280.324 0.257 10 10 CCCE CC[C@H](N)c1ccc(N2C[C@H]3C(=O)NC(=O)[C@H]3C2)cc1 386804180 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Cc1cc(CO)ccc1N1C[C@@H]2OC[C@@H](CO)O[C@@H]2C1 2279780896 DWWNPYTUBKEVLD-VHDGCEQUSA-N 279.336 0.452 10 10 CCCE Cc1cccc(CN2C[C@@H]3CS(=O)(=O)[C@H]3C2)c1O 2314965725 VPUXPTIQKHPLKH-NEPJUHHUSA-N 267.350 0.929 10 10 CCCE NOCCC(=O)N1CCc2cc(O)c(O)cc2C1 2318632774 WQUITEGURGFDBC-UHFFFAOYSA-N 252.270 0.263 10 10 CCCE [N-]=[N+]=NCCN[C@]1(C(N)=O)CCC[C@]23C[C@H](CO2)[C@@H]31 2328948952 FZPRYDIBBMCULZ-RBLKWDMZSA-N 265.317 0.699 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1C[C@H]2C[C@@H](O)[C@H]2C1 2333481687 QRDLYWZEWCIBNW-JFGNBEQYSA-N 263.293 0.480 10 10 CCCE O=[N+]([O-])c1cc(N2C[C@@H](O)[C@@H]3COC[C@@H]32)ccc1CO 2356882966 KXNJVVKWBGLZJW-KGYLQXTDSA-N 280.280 0.283 10 10 CCCE COc1ccc([C@@H](C)N[C@H]2CNC(=O)C2)c(O)c1 228994192 USEFGQFZWBNJIL-RKDXNWHRSA-N 250.298 0.940 10 10 CCCE CN1CCN(Cc2ccc(O)c(O)c2)[C@@H](CN)C1 226609680 LYZGWWKTDYKKHR-NSHDSACASA-N 251.330 0.173 10 10 CCCE CN[C@@H]1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 133111371 DPPKHJZOEMFWLZ-MRVPVSSYSA-N 292.295 0.724 10 10 CCCE 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2128177927 RRVJZKBPAWLSQF-UHFFFAOYSA-N 262.269 0.717 10 10 CCCE CN1CC(=O)N(CCCC(=O)N2CC(N=[N+]=[N-])C2)C1=O 1912173165 ZMTZXGIUVGPWSJ-UHFFFAOYSA-N 280.288 0.182 10 10 CCCE C[C@H]1CN[C@H](C)C[C@]1(NCCCN=[N+]=[N-])C(N)=O 1912198504 HHWTULHIVUNWKD-IQJOONFLSA-N 254.338 0.518 10 10 CCCE Cn1cc(CCNC(=O)COc2ccc(N)cc2)cn1 110401051 MJBGMHAVJNFZMA-UHFFFAOYSA-N 274.324 0.740 10 10 CCCE CSCC[C@H](O)C(=O)NCc1ccc(N)cc1 1968570695 UBBKRLKSONMTFC-NSHDSACASA-N 254.355 0.999 10 10 CCCE CN(C)C(=O)NCCNC(=O)c1ccc(O)c(O)c1 227057756 CBRRFTZJLTUURT-UHFFFAOYSA-N 267.285 0.099 10 10 CCCE O=C(NC[C@@]1(C(=O)O)CCCO1)c1cccc(O)c1O 1923256272 PQYIEIRSCRLDER-CYBMUJFWSA-N 281.264 0.461 10 10 CCCE CO[C@@H]1CNC[C@@H](C(=O)N(C)Cc2ccccc2O)C1 1966848793 CQPMCVOXCSNLLO-STQMWFEESA-N 278.352 0.975 10 10 CCCE CN(Cc1ccccc1O)C(=O)c1c(CN)nnn1C 1966849023 DXJRQILILSEFIL-UHFFFAOYSA-N 275.312 0.252 10 10 CCCE COc1ccc(O)c([C@H](C)N2CC(O)(C(=O)O)C2)c1 2136351368 XJXMVOIAXKTMLF-QMMMGPOBSA-N 267.281 0.593 10 10 CCCE CO[C@H]1C[C@H](C(=O)O)N(Cc2ccc(O)c(O)c2)C1 2136355627 RLCOIEHLPOITII-VHSXEESVSA-N 267.281 0.772 10 10 CCCE NC(=O)C1[C@@H]2CN(CCCc3ccc(N)cc3)C[C@@H]12 2136631949 VXKBZTXTICPSOL-CHWSQXEVSA-N 259.353 0.865 10 10 CCCE CC1(C)C(=O)NCCCN1C(=O)Cc1ccc(N)cc1 1967193149 HVXNNNLAGKUMJU-UHFFFAOYSA-N 275.352 0.938 10 10 CCCE C[C@@H](NC(=O)[C@H]1CNc2ccccc2N1)C(=O)N(C)C 229878852 IZDMZZVBQNDWNP-BXKDBHETSA-N 276.340 0.486 10 10 CCCE Oc1cccc(CN[C@H]2COC3(CCC3)[C@H]2O)c1O 2141559611 VWLAZDIOEJGKOJ-GWCFXTLKSA-N 265.309 0.870 10 10 CCCE NC(=S)CN1CCN(C(=O)c2cccc(O)c2O)CC1 126156940 FHBCIZHKILGBQP-UHFFFAOYSA-N 295.364 0.142 10 10 CCCE C[C@@]1(C(N)=O)CCN(CCOc2ccc(N)cc2)C1 235434281 TXYHBQOHLUHLSV-CQSZACIVSA-N 263.341 0.845 10 10 CCCE COC1(CO)CN(c2ccc(CN)c(Cl)c2)C1 1951062123 VJGVWLDPQAOFCQ-UHFFFAOYSA-N 256.733 0.996 10 10 CCCE O=C1CNC[C@@H](c2ccc(N3CCOCC3)cc2)N1 1952119894 LJQRUSBKWRYLKA-ZDUSSCGKSA-N 261.325 0.284 10 10 CCCE CN(C)C(=O)COc1ccc(N2CCNCC2)cc1 35650838 ZRNQWDSLDJRGPS-UHFFFAOYSA-N 263.341 0.563 10 10 CCCE NC(=O)[C@@H]1CCCCN1C(=O)COc1ccc(N)cc1 40320954 BPXQIIVZZNNISU-LBPRGKRZSA-N 277.324 0.514 10 10 CCCE Cc1cc(NC(=O)[C@@H](N)Cc2ccc(O)c(O)c2)no1 40457923 LCYGZWCONSNDNE-VIFPVBQESA-N 277.280 0.903 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)[C@@H]1N[C@H]2CC[C@H]1C2 2152030033 BSTITAXMCGQRJR-COPLHBTASA-N 276.336 0.897 10 10 CCCE COC[C@@H](C)NC(=O)CN(C)Cc1ccc(N)cc1 49291261 RUYPAZHPNWYRCE-LLVKDONJSA-N 265.357 0.852 10 10 CCCE C[C@H](N[C@H]1COC[C@H]1CO)c1cc(O)ccc1O 2029842965 BZBOXKQNNQFUEH-SBMIAAHKSA-N 253.298 0.756 10 10 CCCE CO[C@H]1C[C@H](CN)N(Cc2ccc(O)cc2O)C1 2030286676 DXSWQBWQMUJNSA-PWSUYJOCSA-N 252.314 0.646 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CCCNCCC1 2035146542 KNQCZGARLVKJOO-UHFFFAOYSA-N 251.286 0.318 10 10 CCCE CN(C)[C@H]1CCN(CC(=O)Nc2ccc(N)cc2)C1 62963732 KEQAFZZHOQUCJQ-ZDUSSCGKSA-N 262.357 0.843 10 10 CCCE CN(C)c1ccc([C@H](O)[C@H](N)[C@H]2CCCS2(=O)=O)cc1 2156619893 JXUSAXSQUBUIMD-MCIONIFRSA-N 298.408 0.691 10 10 CCCE Cc1cc(CO)ccc1N1CC[C@@H]2C(=O)NC(=O)[C@H]2C1 2158789705 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CN(C)C1CN(S(=O)(=O)Cc2ccc(N)cc2)C1 382739610 LYWMOZIYSHRQRR-UHFFFAOYSA-N 269.370 0.344 10 10 CCCE [N-]=[N+]=NCCN[C@]1(C(=O)O)CCN2CCC[C@H]1C2 383265680 DZHFJUIARFZNQY-GXSJLCMTSA-N 253.306 0.825 10 10 CCCE Cc1nc(CNCc2cc3c(cc2O)OCO3)n[nH]1 392479589 ZHNGZUSOEWENRU-UHFFFAOYSA-N 262.269 0.837 10 10 CCCE O=C(N[C@@H]1CCOC[C@@H]1C(=O)O)c1ccc(O)c(O)c1 2176121787 XKEIMXUCIPGHAF-DTWKUNHWSA-N 281.264 0.317 10 10 CCCE Nc1ccc(OCCNS(=O)(=O)C[C@@H]2CCC2=O)cc1 2178203179 XXBYDNRYTUSNKF-JTQLQIEISA-N 298.364 0.546 10 10 CCCE Oc1ccc(CNC[C@H]2Cc3nncn3C2)c(O)c1O 2167741513 NHVDTZJWVKWWPL-MRVPVSSYSA-N 276.296 0.357 10 10 CCCE NC[C@H](NS(=O)(=O)CCOc1ccc(N)cc1)C1CC1 2191629502 NJZJIGDMHDVGPM-ZDUSSCGKSA-N 299.396 0.304 10 10 CCCE Nc1ccc(CCC(=O)N2C[C@H]3OCC[C@H]3C2=O)cc1 2191656245 OHXZDSRFDNGQQD-CHWSQXEVSA-N 274.320 0.975 10 10 CCCE Nc1ccc(OC[C@H](O)CN2CC3(CC[C@H]3O)C2)cc1 2179703592 MODCGENYPGGDNN-TZMCWYRMSA-N 278.352 0.465 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N3CC4(CC[C@H]4O)C3)ccc21 2179703605 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Cc1nc(NC(=O)c2cc(O)c(O)c(O)c2)n[nH]1 1865876301 BLELEEGCOPAEKD-UHFFFAOYSA-N 250.214 0.482 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CCCNCC1 1866303139 NPIVGKMTZSPHAR-UHFFFAOYSA-N 252.270 0.239 10 10 CCCE CN[C@H](c1ccc(N(C)C)cc1)[C@@H](O)c1ncn(C)n1 2190733585 NBHUETAXSVFGAR-CHWSQXEVSA-N 275.356 0.875 10 10 CCCE Nc1ccc(CCN2CCC[C@@H]2[C@H](O)CO)cc1 2059280501 PTZDNUURBLPYST-ZIAGYGMSSA-N 250.342 0.629 10 10 CCCE C[C@@H](N)c1ccc(N2CC(=O)N3CCOC[C@H]3C2)cc1 2185857766 JEQCVKLSZPMDTE-BXUZGUMPSA-N 275.352 0.754 10 10 CCCE C[S@](=O)CCCNC(=O)c1cc(O)c(O)c(O)c1 2068576299 IJEFMWAABWTWKL-SFHVURJKSA-N 273.310 0.302 10 10 CCCE CC1(CNC(=O)c2cc(O)c(O)c(O)c2)COC1 2068624905 UHOJIKOUXBIJTA-UHFFFAOYSA-N 253.254 0.570 10 10 CCCE CO[C@]1(C(=O)O)CCN(Cc2ccc(N)cc2)C1 2076943419 GBDZEOCKJPYTSU-CYBMUJFWSA-N 250.298 0.944 10 10 CCCE Cc1ccc(CN2CC[C@@H](N)[C@@H](CO)C2)c(O)c1 2084072959 BXTNQLPFIKZFSF-CHWSQXEVSA-N 250.342 0.842 10 10 CCCE O=C(N[C@H]1CC[C@H]2C[C@H]1CN2)c1cccc(O)c1O 2088571356 PMAXXJNRSBCHGL-QXEWZRGKSA-N 262.309 0.968 10 10 CCCE CO[C@H]1C[C@@H](N)CN(C(=O)c2cccc(O)c2O)C1 2109018762 OVIFNFIKZUWXKX-BDAKNGLRSA-N 266.297 0.286 10 10 CCCE NCc1ccc(N2CC(NS(=O)(=O)C3CC3)C2)cc1 2109339226 AQQXMWRTPKGICU-UHFFFAOYSA-N 281.381 0.416 10 10 CCCE NN[C@@H](c1ccccc1O)c1cnn2ccncc12 2090041542 BXWUNLPHGXOHCV-ZDUSSCGKSA-N 255.281 0.988 10 10 CCCE CN[C@@H](C)c1ccc(N2CC(S(C)(=O)=O)C2)cc1O 2095964432 IFMAOMLMTOELHK-VIFPVBQESA-N 284.381 0.906 10 10 CCCE C[C@@]1(O)CN(c2cc3c(cc2N)OCCO3)CC[C@H]1O 2201491537 CAVKZSGMIYZFNU-ZIAGYGMSSA-N 280.324 0.362 10 10 CCCE COc1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CO)c(C)c1C 2269110673 PNSCLDFOUSLCLT-DYEKYZERSA-N 267.325 0.215 10 10 CCCE Oc1ccc(F)cc1CN[C@@H]1CCC[C@@H](O)[C@H]1O 2217642117 KNTQIBVGNKKEED-RTXFEEFZSA-N 255.289 0.895 10 10 CCCE C[C@@H](NC(=O)COc1ccc(N)cc1)[C@H]1CCCN1 2271333218 ZVTKWOHTEFSTQM-ZWNOBZJWSA-N 263.341 0.904 10 10 CCCE Nc1ccc(OCCN2C[C@@H]3COC[C@@]3(CO)C2)cc1 2234548450 OKVHWLJRHUTXDR-DOMZBBRYSA-N 278.352 0.588 10 10 CCCE NC[C@]12COC[C@@H]1CN(C(=O)c1ccc(O)c(O)c1)C2 2234560465 WVKWRACVBUFQCB-HZMBPMFUSA-N 278.308 0.145 10 10 CCCE COc1ccc(N(C)[C@H]2CCC(=O)NC2)c(CO)c1 2227710295 DGXYPRLOIFKHQO-NSHDSACASA-N 264.325 0.902 10 10 CCCE C[C@@H](CN)CC1CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2238721620 HYFVTKGNOKNFLZ-MRVPVSSYSA-N 280.324 0.860 10 10 CCCE COc1n[nH]cc1CNC(=O)Cc1ccc(O)c(O)c1 2283791674 KNZBKHPFUFARMJ-UHFFFAOYSA-N 277.280 0.688 10 10 CCCE CC(C)Oc1ccc(N2C[C@H](O)[C@H](O)[C@@H](CO)C2)cc1 2289358621 VDWFKWXMMNWPSU-BYCMXARLSA-N 281.352 0.624 10 10 CCCE CSc1ncc(CNC(=O)c2cn[nH]c(=NN)c2)s1 2274006499 YROAUBNKKNHFTO-UHFFFAOYSA-N 296.381 0.293 10 10 CCCE Cc1cc(N2CC[C@@](O)(C(N)=O)C2)ccc1[C@H](C)N 2269665627 IUHQZDHLPALFNY-HZMBPMFUSA-N 263.341 0.441 10 10 CCCE Cc1cccc(CNC(=O)[C@H]2CCOCCN2)c1O 2269873020 CKQDYIATVCZKQP-GFCCVEGCSA-N 264.325 0.695 10 10 CCCE COC(=O)C1(O)CN(c2ccc(OC)c3c2CCC3)C1 2284604445 DOMHJIPNXZCPIL-UHFFFAOYSA-N 277.320 0.908 10 10 CCCE Nc1ccc(CC(=O)N=c2nc(C3CNC3)[nH]s2)cc1 2296454140 ILZVEGVPDKFGIV-UHFFFAOYSA-N 289.364 0.410 10 10 CCCE COc1cc(OC)c(N2C[C@@H](N)C[C@@H](O)C2)cc1OC 2289367841 SQELMWQVPPCKDO-VHSXEESVSA-N 282.340 0.611 10 10 CCCE COc1cc(OC)c(N2CCOC[C@H](N)C2)cc1OC 2289402184 PJCUFWCZZTYYMK-SNVBAGLBSA-N 282.340 0.876 10 10 CCCE COc1cccc(C=C2C(=O)NC(=O)N(C)C2=O)c1 2296740249 ONYLNEMWQQBVHW-UHFFFAOYSA-N 260.249 0.787 10 10 CCCE CCN(CCN=[N+]=[N-])CCN1CCCS1(=O)=O 2300530535 RXGFQPUOANWPSI-UHFFFAOYSA-N 261.351 0.654 10 10 CCCE C[C@@H]1CCNC(=O)[C@@H]1NC(=O)C=Cc1ccc(O)c(O)c1 2312535961 DDEVYZKWRYEJBJ-YMTOWFKASA-N 290.319 0.752 10 10 CCCE NCc1ccc(N2C[C@@H]3C[C@H]2[C@@H](O)[C@@H]3O)c(Cl)c1 2308770517 ATYCEFHTWTXGQQ-HWNAMQAFSA-N 268.744 0.729 10 10 CCCE CCNS(=O)(=O)N1CCc2cc(O)c(O)cc2C1 2318676058 YPYIOOIXTJBEHI-UHFFFAOYSA-N 272.326 0.310 10 10 CCCE CSc1cc(N2C[C@H](O)C[C@@H](O)C2)ccc1CN 2328541905 YHSXXFUONKMSOP-VXGBXAGGSA-N 268.382 0.799 10 10 CCCE CSc1cc(N2CC(O)(CCO)C2)ccc1CN 2328543403 OZZWTVMNLPJWOD-UHFFFAOYSA-N 268.382 0.801 10 10 CCCE O=[N+]([O-])c1cc(CO)ccc1N1C[C@H]2C[C@H]2[C@H]1CO 2332563268 IBFMMUDPVFLCKT-GIPNMCIBSA-N 264.281 0.904 10 10 CCCE C[C@H](C(=O)Nc1ccc(N)cc1)N1CCC[C@@H](C(N)=O)C1 22220113 WHLKOSBIIIHXRZ-GHMZBOCLSA-N 290.367 0.793 10 10 CCCE CN(C)c1ccc(/C=C/C(=O)N[C@@H]2COC[C@H]2O)cc1 323003471 SQBFVUKVRCJSAX-QLNSKBQOSA-N 276.336 0.642 10 10 CCCE CCN(CCO)C(=O)CCOc1ccc(N)cc1 40305873 SNSAWFJQOGBYQR-UHFFFAOYSA-N 252.314 0.879 10 10 CCCE CNS(=O)(=O)CCNCc1ccc(OC)cc1O 190306041 VINFUFJCBGJNEB-UHFFFAOYSA-N 274.342 0.040 10 10 CCCE COC(=O)[C@H](N)Cc1ccc(Br)c(O)c1O 260506893 FZXRPAASSIUQCD-SSDOTTSWSA-N 290.113 0.903 10 10 CCCE C[C@@H](CO)N(C)C(=O)C(=O)NCc1ccc(N(C)C)cc1 283673856 ZCKHPDLJPNTODP-NSHDSACASA-N 293.367 0.208 10 10 CCCE CC(=O)c1cc(F)cc(CN2CC[C@H](O)[C@H](CO)C2)c1O 396850721 KRWYKEYWDUWOJO-FZMZJTMJSA-N 297.326 0.909 10 10 CCCE O=[N+]([O-])c1cc(N2CC(OCCO)C2)ccc1CO 2132057563 FVIQCZNBLRDLBK-UHFFFAOYSA-N 268.269 0.285 10 10 CCCE Nc1ccc(OCCCN2CC[C@H](O)[C@H](O)C2)cc1 2132115735 MAYQCFLKEPGHSB-UONOGXRCSA-N 266.341 0.465 10 10 CCCE CS[C@H](CO)[C@H](C)NC(=O)c1cc(O)c(O)c(O)c1 2132347982 BAMWOGZNMDGSHX-QUBYGPBYSA-N 287.337 0.646 10 10 CCCE C[C@@H]1CCOC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2132407735 RCPGMEWXZGGMHM-APPZFPTMSA-N 267.281 0.958 10 10 CCCE CN1CCO[C@@H](C(=O)N2Cc3cccc(O)c3C2)C1=O 913726914 ZOCXHCCYTZFXRI-GFCCVEGCSA-N 276.292 0.092 10 10 CCCE C[C@@H]1C(=O)N(C)CN1C(=O)c1c(F)ccc(O)c1O 844153077 KOVKAUIAFMMNOA-ZCFIWIBFSA-N 268.244 0.497 10 10 CCCE C[C@H]1CN(C)C[C@H](CNC(=O)c2cccc(O)c2O)O1 697273721 OETRVJDQLCHPCF-UWVGGRQHSA-N 280.324 0.547 10 10 CCCE CNCc1cc(F)c(N2C[C@H](O)C[C@@H]2CO)c(F)c1 698176966 AXDFSLUSWQQTPO-NXEZZACHSA-N 272.295 0.616 10 10 CCCE CN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@H]1C[C@@H](C(N)=O)C1 863358292 XIJACQCMYCWLFP-RSSNJPKISA-N 290.319 0.833 10 10 CCCE C[C@@H]1CC[C@@H](NC(=O)COc2ccc(N)cc2)CN1 1876521082 JVJCRPNTMRELIT-ZYHUDNBSSA-N 263.341 0.904 10 10 CCCE Nc1ccc(OCC(=O)NCC[C@@H]2CCNC2)cc1 1876521869 TVCBIFIJIBPZNJ-NSHDSACASA-N 263.341 0.763 10 10 CCCE COC(=O)[C@@]1(NCCCN=[N+]=[N-])C[C@H]2CC[C@H]1CN2 1876036041 LNDMUVOKYRLDIN-HOSYDEDBSA-N 267.333 0.960 10 10 CCCE C[C@@H](O)[C@H]1CCCN1C(=O)c1cc(O)c(O)c(O)c1 1879190924 SPRNBAGIBHMXCD-VXNVDRBHSA-N 267.281 0.789 10 10 CCCE CSC[C@@](C)(O)CNC(=O)Cc1ccc(O)c(O)c1 1147700933 YDUKFAVCOPNOHM-ZDUSSCGKSA-N 285.365 0.871 10 10 CCCE C[C@H](O)c1cc(F)c(N2C[C@@H](O)C[C@H]2CO)c(F)c1 1880480633 YDIFCCIFVWDERJ-HGNGGELXSA-N 273.279 0.950 10 10 CCCE CC(C)[C@H](N)C(=O)NCCc1ccc(O)c(O)c1 83392089 QKPLPSFBBTVQSY-LBPRGKRZSA-N 252.314 0.740 10 10 CCCE Cc1ccc(O)c([C@@H](N)c2nnc([C@H](O)CO)o2)c1 83480999 AMAWMTNNNRWPOB-NXEZZACHSA-N 265.269 0.157 10 10 CCCE O=S1(=O)CC[C@H](NCc2cc(O)ccc2O)C1 83421238 YNMFPPOUYBREHR-VIFPVBQESA-N 257.311 0.375 10 10 CCCE N[C@@H](c1nnc([C@@H]2C[C@@H](O)CN2)o1)c1ccccc1O 83547350 VWEXGMGLMZDRTD-POZPLHJXSA-N 276.296 0.219 10 10 CCCE CN(C(=O)c1cc(O)nc(O)n1)c1ccc(N)cc1 702121869 TXQISAMHEFZBTM-UHFFFAOYSA-N 260.253 0.747 10 10 CCCE CN(C[C@@H](O)C1CC1)C[C@@H](O)COc1ccc(N)cc1 690296383 VEQITYOEFWHVJE-UKRRQHHQSA-N 280.368 0.711 10 10 CCCE C[C@@H]1CN(C(=O)c2ccc(O)c(O)c2)CCS1(=O)=O 707421602 BVBJEGPIHUGGCJ-MRVPVSSYSA-N 285.321 0.357 10 10 CCCE CC(C)C[C@@H]1COC[C@@]1(NCCN=[N+]=[N-])C(N)=O 716292704 OJYFFKYLJFJUFV-KOLCDFICSA-N 255.322 0.803 10 10 CCCE CCN1CC(=O)N(CCc2ccc(N)cc2)CC1=O 94469052 QESSEYAMJRWBOX-UHFFFAOYSA-N 261.325 0.502 10 10 CCCE CS(=O)(=O)N1CC[C@@H](NCc2c(O)cccc2F)C1 1964044699 ACYKNDXMVSNDLZ-SECBINFHSA-N 288.344 0.655 10 10 CCCE COc1ccc(N2CCN[C@H]3COC[C@H]32)c(OC)c1 2132562172 YQBUFYKQMPQEDI-WCQYABFASA-N 264.325 0.881 10 10 CCCE COc1ccc(N2CC(=O)N[C@@H](C(=O)O)C2)cc1 214524552 DWJGFJRWVCWIGL-SNVBAGLBSA-N 250.254 0.085 10 10 CCCE Nc1ccc(NC(=O)CN2C[C@@H](F)[C@@H](CO)C2)cc1 2120597717 LNBDYJQBJRSCDE-BXKDBHETSA-N 267.304 0.470 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@H](O)C(F)(F)C1 1641047451 YJHQSRNRHFXMDV-NSHDSACASA-N 287.262 0.869 10 10 CCCE CC1(C)OC[C@@H](NC(=O)Nc2ccc(N)cc2)[C@@H]1O 1910983136 AHYMLCUYEKIQJM-MNOVXSKESA-N 265.313 0.929 10 10 CCCE O=C(/C=C\c1ccc(O)c(O)c1)N[C@H](CO)[C@@H]1CCOC1 1598038345 PHGQBUGSEUHOML-DNDCWNJCSA-N 293.319 0.625 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CCC=C[C@H]1CO 2125951224 MNNCQOCVYGDRBE-NSHDSACASA-N 263.293 0.790 10 10 CCCE C[C@H]1CN(C(=O)CCc2ccc(N)cc2)C[C@H](CO)O1 229936784 CNPXHAMOVLSNKE-SMDDNHRTSA-N 278.352 0.810 10 10 CCCE CN(C(=O)CCc1ccc(N)cc1)[C@@H]1COC[C@H]1C(=O)O 158171452 MRGHEDUJGYCLEN-CHWSQXEVSA-N 292.335 0.759 10 10 CCCE COc1ccc(CNC[C@@H](N)CC(=O)O)cc1C 259016848 YBQRMZXMITUFHB-NSHDSACASA-N 252.314 0.895 10 10 CCCE CN[C@]1(CO)CCCN(c2ccc3c(c2)OCO3)C1 259251000 IOAVQUIEUJKIMC-CQSZACIVSA-N 264.325 0.966 10 10 CCCE O=C(c1cccc(O)c1O)N1C[C@@H](CCO)[C@@H](CO)C1 1648104805 HEXOILDTMVJKNJ-NXEZZACHSA-N 281.308 0.161 10 10 CCCE [N-]=[N+]=NC1CCN(C(=O)c2cc(O)nc(O)n2)CC1 1912150029 OJNZGZFWRPISEV-UHFFFAOYSA-N 264.245 0.803 10 10 CCCE [N-]=[N+]=NC1CN(C(=O)c2cnc3n(c2=O)CCS3)C1 1912166102 SDXLXMZLWYVBOD-UHFFFAOYSA-N 278.297 0.484 10 10 CCCE COc1nsc(OC)c1[C@H](NCCN=[N+]=[N-])C(N)=O 1912204001 UEFISIIJFUCBTD-LURJTMIESA-N 286.317 0.587 10 10 CCCE O=C1Nc2cc(N3C[C@H]4C[C@]4(CO)C3)ccc2[C@@H]1O 2136091123 SJHZSHUQQKWONS-CWONEXCFSA-N 260.293 0.491 10 10 CCCE CC[C@H](O)c1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CO)cc1 2136282278 AAAJWXPJCBSTJJ-RFGFWPKPSA-N 267.325 0.033 10 10 CCCE Nc1ccc(CCC(=O)NCc2nnc(O)o2)cc1 2136517530 FKPJULIYNDNNDX-UHFFFAOYSA-N 262.269 0.606 10 10 CCCE NC[C@@]12CC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 2136691417 HBGKDYUNPATTMB-NOZJJQNGSA-N 263.297 0.304 10 10 CCCE Cc1ccc(CNC2CN([C@H](C)C(=O)O)C2)c(O)c1 2139761996 MOAIWLKKAJFGAG-SNVBAGLBSA-N 264.325 0.948 10 10 CCCE CN(C(=O)CN1CC[C@@H](C(N)=O)C1)c1ccc(N)cc1 234257641 JNIODXNCPRIECA-SNVBAGLBSA-N 276.340 0.039 10 10 CCCE C[C@@H]1OCC[C@@H]1S(=O)(=O)CC(=O)Nc1ccc(N)cc1 235283304 WTRYGSWZFLBSKW-CABZTGNLSA-N 298.364 0.800 10 10 CCCE C[C@@H](NC1CC1)C(=O)NCCc1ccc(O)c(O)c1 1968738818 FSGRRVHFWRGOIQ-SECBINFHSA-N 264.325 0.897 10 10 CCCE COCC[S@](=O)CCNC(=O)Cc1ccc(N)cc1 2142035854 SKWXFEQSZGNQGD-LJQANCHMSA-N 284.381 0.323 10 10 CCCE COCC[S@](=O)CCNCc1ccc(OC)cc1O 2142035065 KEJTZSZLPINLHH-LJQANCHMSA-N 287.381 0.886 10 10 CCCE Nc1ccc(NC(=O)CN2CCCS(=O)(=O)CC2)cc1 236351819 HFJFLPROLQONAG-UHFFFAOYSA-N 297.380 0.328 10 10 CCCE Nc1ccc(OCC(=O)N2C[C@@H](O)[C@@H](C3CC3)C2)cc1 2146833146 MSRNYVQNWSVMSE-ZIAGYGMSSA-N 276.336 0.877 10 10 CCCE CS(=O)(=O)CC(=O)N1CCC[C@@H](N=[N+]=[N-])CC1 1949749872 VJUIAOHLABEKBQ-MRVPVSSYSA-N 260.319 0.722 10 10 CCCE COC(=O)[C@H](O)C1(c2cc(O)c(O)c(O)c2)CC1 1952524280 NPKDKLRKRBKBKF-JTQLQIEISA-N 254.238 0.369 10 10 CCCE CC1(C)CN(c2ccc([N+](=O)[O-])c(CO)c2)CC(=O)N1 2150463390 AMAVALJGNHANEQ-UHFFFAOYSA-N 279.296 0.802 10 10 CCCE CC[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CCN1 1970917551 LUYXAGPBLWMCBE-LLVKDONJSA-N 264.325 0.851 10 10 CCCE C[S@](=O)C1CN(C(=O)c2ccc(O)c(O)c2)C1 2004520682 BJWREECUUMIXQL-KRWDZBQOSA-N 255.295 0.301 10 10 CCCE CCOCCN(C)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 157157347 WIAVGGQRQSRWOI-NSHDSACASA-N 282.340 0.463 10 10 CCCE COCCN(CC(=O)O)C(=O)CCc1ccc(N)cc1 158176866 XCXIXSWPECXKHH-UHFFFAOYSA-N 280.324 0.761 10 10 CCCE CN(CC(=O)N1CCOCC1)c1ccc(CN)cc1 34653953 PCSHNYZZSCEVPV-UHFFFAOYSA-N 263.341 0.440 10 10 CCCE CCc1nn(C)c([C@H](O)C(=O)C(C)=O)c1Br 1989596954 NMANATYDQMGYDD-JTQLQIEISA-N 289.129 0.937 10 10 CCCE Nc1ccc(OC[C@H](O)C[S@](=O)C2CC2)cc1 2008681786 RCCCDWXEPYSJKY-BTDLBPIBSA-N 255.339 0.920 10 10 CCCE O=C(C[S@@](=O)[C@@H]1CCOC1)c1ccc(O)c(O)c1 2029177044 HCJVNYWLEREZSO-DYBLOJMWSA-N 270.306 0.818 10 10 CCCE Cc1cc([C@H](NCCCN=[N+]=[N-])C(N)=O)n(C)n1 2037805654 LNSCZBQMLSYDNJ-VIFPVBQESA-N 251.294 0.545 10 10 CCCE CN(CCOCCO)C(=O)CCOc1ccc(N)cc1 312828038 TXXFIEOHUUSNES-UHFFFAOYSA-N 282.340 0.505 10 10 CCCE C[C@H]1NC(=O)[C@@H](C)N(Cc2ccc(N(C)C)cc2)C1=O 2160463880 UXBHWHRRAWSREI-GHMZBOCLSA-N 275.352 0.988 10 10 CCCE C[C@H]1CNCCN(C(=O)c2ccc(O)c(O)c2)C1 323585737 BNCBXAUCQVISOR-VIFPVBQESA-N 250.298 0.779 10 10 CCCE CN1CCN(CCC(=O)Nc2ccc(N)cc2)CC1=O 84198142 DENDPXOECDTJQR-UHFFFAOYSA-N 276.340 0.371 10 10 CCCE Oc1ccc(-c2noc([C@@H](F)C3(O)CNC3)n2)cc1O 2172287478 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C[C@@H](c1cc(O)c(O)c([N+](=O)[O-])c1)N1CCNCC1 575260362 VFIDDZLRNQQSDW-QMMMGPOBSA-N 267.285 0.972 10 10 CCCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CC(N)=O 839919471 RCQASEAVYYBNFW-NSHDSACASA-N 277.368 0.984 10 10 CCCE CN(C1CC1)S(=O)(=O)NCCc1ccc(N)cc1 842822617 FNRXRZTYWDLAON-UHFFFAOYSA-N 269.370 0.740 10 10 CCCE Nc1ccc(NC(=O)CN2CCOC[C@@H]2CCO)cc1 694937276 BFIXDPAPNDLVRE-ZDUSSCGKSA-N 279.340 0.291 10 10 CCCE CSCCNCC(=O)NCc1ccccc1O 696949399 AVUSXEWEGJTOAI-UHFFFAOYSA-N 254.355 0.961 10 10 CCCE COc1ccc(O)c(CN[C@@H]2CCn3nnnc3C2)c1 1875666684 MSLZDVBHYONNIL-SNVBAGLBSA-N 275.312 0.492 10 10 CCCE COc1ccc(N2C[C@H](N)CC[C@H]2C(=O)O)c(N)c1 1876551591 VOAGTCHRARVXSQ-PELKAZGASA-N 265.313 0.658 10 10 CCCE COC1CC(CNC(=O)c2cc(O)c(O)c(O)c2)C1 1148590239 FPPCGFQHYVEJOV-UHFFFAOYSA-N 267.281 0.958 10 10 CCCE O=C(c1cccc(O)c1O)N1CC[C@](O)(C(F)F)C1 1141127895 XNWDEEDFUVPAFF-GFCCVEGCSA-N 273.235 0.940 10 10 CCCE O=C(O)CNCc1ccc(N2CCCNCC2)cc1 84846267 WUNSZGZSZGQIPV-UHFFFAOYSA-N 263.341 0.661 10 10 CCCE COc1cccc(CN[C@@]2(C)CCNC2=O)c1O 897871983 QBAHSDWAWQWNHR-ZDUSSCGKSA-N 250.298 0.769 10 10 CCCE CCOC(=O)C[C@H]1NCCc2c1cc(O)c(O)c2O 75819286 VFNJFYCOXBZADK-SECBINFHSA-N 267.281 0.943 10 10 CCCE O=C(N[C@H]1CCN[C@@H]1C1CC1)c1cc(O)nc(O)c1 1885860312 SZDNCSIIPGGCOT-JOYOIKCWSA-N 263.297 0.363 10 10 CCCE [N-]=[N+]=NCCN[C@@H](C(N)=O)c1ccc2c(c1)OCO2 90257729 LJGYBSWLTOUQGK-SNVBAGLBSA-N 263.257 0.842 10 10 CCCE CNCc1ccc(N2CCC[C@@H](NS(C)(=O)=O)C2)cc1 705448116 AIMWVLPERNGEDG-CYBMUJFWSA-N 297.424 0.924 10 10 CCCE O=C(N[C@@]12CCC[C@@H]1CNC2)c1cc(O)nc(O)c1 711291768 FAIXICUKYNCPDD-NOZJJQNGSA-N 263.297 0.365 10 10 CCCE Nc1ccc(NC(=O)CN2C[C@H]3COC[C@@H]3C2)cc1 718183456 LNHXOBSMEIUDIU-QWRGUYRKSA-N 261.325 0.786 10 10 CCCE CC(=O)c1ccc(O)c(CN2C[C@H](O)C[C@@]2(C)CO)c1 699284704 GVVMEXIAHAEHHX-HIFRSBDPSA-N 279.336 0.912 10 10 CCCE CN1CCN(C(=O)CCN2CC[C@@H](N=[N+]=[N-])C2)CC1 2117130720 KRCGMHKOSVLBCJ-LLVKDONJSA-N 266.349 0.535 10 10 CCCE COc1ccc(N2CCNC[C@@H](O)C2)c(OC)c1 214896275 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CNCc1ccc(N2CCN(C)C(=O)C2)cc1OC 2139686759 KMLDKMNHJKOINU-UHFFFAOYSA-N 263.341 0.693 10 10 CCCE Nc1ccc(CS(=O)(=O)NC[C@@H]2CC[C@@H](O)C2)cc1 227522300 QKDPQYFJBHHUHV-DGCLKSJQSA-N 284.381 0.849 10 10 CCCE CCn1nnc(C(=O)NCc2cc(N)ccc2O)c1C 1923654002 YDXOMQXYSQJLJC-UHFFFAOYSA-N 275.312 0.824 10 10 CCCE CN(C)[C@@H]1COC[C@@H]1CNCc1ccc(O)cc1O 1924671823 OJAADMOSYISROZ-WCQYABFASA-N 266.341 0.764 10 10 CCCE C[C@H](N)[C@H](C)C(=O)NCCc1ccc(O)c(O)c1 1968739576 SOZKTRDNZWLWAL-IUCAKERBSA-N 252.314 0.740 10 10 CCCE CCn1cnnc1CNS(=O)(=O)Cc1ccc(N)cc1 230749709 AUGSQPPXZDBSGZ-UHFFFAOYSA-N 295.368 0.500 10 10 CCCE COCCN(CC(=O)O)C(=O)c1ccc(O)c(O)c1 234612848 WGMKYOHTMPJEBC-UHFFFAOYSA-N 269.253 0.271 10 10 CCCE CN(C)c1ccc([C@H]2CS(=O)(=O)NCCN2)cc1F 1952502519 UCDSCEMCPHRXFE-LLVKDONJSA-N 287.360 0.455 10 10 CCCE C[C@@H](N)C[C@@H](C)NC(=O)Cc1ccc(O)c(O)c1 1972243547 WUZRLEWNGHHHLM-RKDXNWHRSA-N 252.314 0.882 10 10 CCCE C[C@@H](c1ccccc1O)N(C)S(=O)(=O)c1cnn(C)n1 2144430559 XNSPLMXGQGZWFH-VIFPVBQESA-N 296.352 0.902 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CN(C)C1(C)CN(C(=O)c2ccc(O)c(O)c2)C1 2042514429 HTSVVWKBUOJENF-UHFFFAOYSA-N 250.298 0.874 10 10 CCCE O=C(O)CC(F)(F)CNC(=O)Cc1ccc(O)c(O)c1 2184771793 NBVAHORTSOEZHH-UHFFFAOYSA-N 289.234 0.867 10 10 CCCE CN(C1(CO)CC1)S(=O)(=O)Cc1ccc(N)cc1 2064882384 BOJFCNPOJVLURG-UHFFFAOYSA-N 270.354 0.555 10 10 CCCE CCN[C@@H](C)c1ccc(N2CCC2(CO)CO)cc1O 2194352871 MMHAXYQVCUHTJZ-NSHDSACASA-N 280.368 0.996 10 10 CCCE COCC1(NC(=O)Cc2ccc(N)cc2)COC1 2068962282 SCLZAKAEIGRIPV-UHFFFAOYSA-N 250.298 0.343 10 10 CCCE Nc1ccc(CS(=O)(=O)N(CC2CC2)C2CNC2)cc1 2191532404 ZIWYNQPMQCYZEK-UHFFFAOYSA-N 295.408 0.782 10 10 CCCE O[C@H]1CCc2cc(N3CC[C@H]4C[C@H]3[C@H](O)[C@@H]4O)ccc21 2199531072 IBPVDULDMUNPQO-AFWDSHEPSA-N 275.348 0.987 10 10 CCCE C[C@@H](N)c1ccc(N2CC[C@@H](N3CC(O)C3)C2)cc1 2102520672 SFJQMVBGKISRNM-BXUZGUMPSA-N 261.369 0.962 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1[C@H]2CC[C@H]21 2103734859 SXKIHOGUQUOEFT-MPXOCVNLSA-N 262.309 0.492 10 10 CCCE CCNCc1ccc(N(C)CC(N)=O)cc1OC 2084020073 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COc1ccc(N2C[C@@H](O)[C@H](OC)C2)c([N+](=O)[O-])c1 396078388 SPSVANZULGVNSU-VXGBXAGGSA-N 268.269 0.799 10 10 CCCE Nc1ccc(OCC(=O)N[C@H]2CCCCNC2=O)cc1 391593009 GFOUIERZMKRCOE-LBPRGKRZSA-N 277.324 0.433 10 10 CCCE CN1CCN(Cc2cc(C(=O)O)c(O)cc2O)CC1 642880155 KIEPXCPEFTXROJ-UHFFFAOYSA-N 266.297 0.543 10 10 CCCE Cc1cc(CN2C[C@@H](O)C[C@@H](O)C2)ccc1N(C)C 815055690 JJVAHENRADGNMD-OKILXGFUSA-N 264.369 0.989 10 10 CCCE O=C(N[C@@H]1CC[C@H]2C[C@@]21CO)c1cc(O)nc(O)c1 2132104999 KGLYFTNYWRNNAE-IGJMFERPSA-N 264.281 0.384 10 10 CCCE Cc1ncc(CNC(=O)COc2ccc(N)cc2)[nH]1 724789216 OFJMHVJEVPNQLN-UHFFFAOYSA-N 260.297 0.996 10 10 CCCE O=C(NC[C@H]1C[C@H]1C(=O)O)c1cc(O)c(O)c(O)c1 2132348277 HYFWCMZIIIDZBD-RNFRBKRXSA-N 267.237 0.254 10 10 CCCE NCCCN(C(=O)c1cc(O)c(O)c(O)c1)C1CC1 2132419670 VGOMBHDNDMOZLK-UHFFFAOYSA-N 266.297 0.757 10 10 CCCE CCC[C@@H](CNC(=O)c1cc(O)c(O)c(O)c1)NC 2132404769 UQJCPEWXXKQGEU-VIFPVBQESA-N 268.313 0.921 10 10 CCCE Oc1cc2c(cc1CN1C[C@@H](O)C[C@@H](O)C1)OCO2 769562771 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CO[C@@H]1C[C@@H](CN)N(C(=O)c2ccc(O)c(O)c2)C1 381783945 YRNLULTWYURWNY-VHSXEESVSA-N 266.297 0.286 10 10 CCCE Cn1[nH]c(CNCc2cc3c(cc2O)OCO3)cc1=O 391415648 YBEGSUVTWVQIHT-UHFFFAOYSA-N 277.280 0.438 10 10 CCCE COc1ccc(O)c([C@H](C)NC[C@H](C)S(N)(=O)=O)c1 398231895 IYDZWLAVBKYQOT-IUCAKERBSA-N 288.369 0.728 10 10 CCCE NCc1cc(F)c(N2C[C@@H]3C(=O)NC(=O)[C@H]3C2)cc1Cl 2177383419 MNTONWLXGPHEAY-YUMQZZPRSA-N 297.717 0.647 10 10 CCCE CCN(CC(=O)Nc1ccc(N)cc1)[C@@H]1CCNC1=O 2171235846 MAKIETZEZORECZ-GFCCVEGCSA-N 276.340 0.418 10 10 CCCE CC[C@H]1C(=O)NC(=O)CN1c1ccc2c(c1)CC[C@@H]2O 2184735502 HKOXPZNIPRLYPK-STQMWFEESA-N 274.320 0.908 10 10 CCCE C[C@@H](NCc1ccc(O)c(O)c1)[C@@H]1COCCO1 2041951898 SYOPGQGQNQCLAW-RNCFNFMXSA-N 253.298 0.991 10 10 CCCE O=C(O)C[C@H]1CCN1C(=O)c1cccc(O)c1O 2047041502 GZXRDGMPYGFFKC-SSDOTTSWSA-N 251.238 0.787 10 10 CCCE Cc1cc(CO)ccc1N1CC(=O)N2CCOC[C@H]2C1 2185859314 XCPZHJAYPCWJTO-CYBMUJFWSA-N 276.336 0.535 10 10 CCCE C[S@](=O)CC1(C)CN(c2ccc3c(c2)NC(=O)[C@@H]3N)C1 2186337901 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NCc1ccc(N2[C@H]3CC[C@H]2[C@H](O)CC[C@H]3O)cc1 2105073825 LRCUOCCBFKPRMZ-BYNSBNAKSA-N 262.353 0.998 10 10 CCCE CC1(C)C[C@H](NS(=O)(=O)Cc2ccc(N)cc2)[C@@H]1O 2105097210 NRWHYUIIKJSPKF-RYUDHWBXSA-N 284.381 0.848 10 10 CCCE COCCOC[C@@H](NN)c1ccc2c(c1)CCN2C 2106852724 JGVIIRLGZLIZMQ-CYBMUJFWSA-N 265.357 0.846 10 10 CCCE CS(=O)(=O)COc1ccc(N2CCC[C@H](N)C2)cc1 2107422653 BDGGYHZAUXWJJF-NSHDSACASA-N 284.381 0.995 10 10 CCCE Nc1ccc(OCC(=O)NC2CC(CCO)C2)cc1 2090475039 FFMXZQCHVILHGZ-UHFFFAOYSA-N 264.325 0.925 10 10 CCCE Cc1cn(C)nc1Cn1ccc2c(c1=O)CNCC2 2094404507 KSGSGLTZWWSNLN-UHFFFAOYSA-N 258.325 0.584 10 10 CCCE CN1CCC[C@H](C(=O)NCc2cc(N)ccc2O)C1 2099565809 JFCCDSMDYTVCSG-JTQLQIEISA-N 263.341 0.932 10 10 CCCE O=C(N[C@@H]1CO[C@]2(CCNC2)C1)c1ccc(O)c(O)c1 2201748964 YTJKPEUVMPYMFR-IINYFYTJSA-N 278.308 0.349 10 10 CCCE CN1CCN(C(=O)C2=CC[C@H](N)C2)c2cnccc21 2114705486 ZDSXIXKQQZGWIV-NSHDSACASA-N 258.325 0.912 10 10 CCCE COC(=O)NC[C@@H](C)NC(=O)c1ccc(O)c(O)c1 2270606856 JWQZIPXTMOKSFC-SSDOTTSWSA-N 268.269 0.572 10 10 CCCE COc1ccc(N2CC[C@H](O)C[C@H]2CO)c(CN)c1 2227683147 LQDNOOZUAIEBDY-RYUDHWBXSA-N 266.341 0.476 10 10 CCCE C[C@@H](N)c1ccc(N2CC(O)(CCO)C2)c(F)c1 2258303877 RZLYJGOJFCSGAW-SECBINFHSA-N 254.305 0.779 10 10 CCCE COC(=O)C(C)(C)CS(=O)(=O)N(C)CCN=[N+]=[N-] 2261280894 ZTFPXAXEOQKDLM-UHFFFAOYSA-N 278.334 0.758 10 10 CCCE O=C(N[C@@H]1COC2(COC2)C1)c1cc(O)c(O)c(O)c1 2286269448 MNEXKPIWDGAMLV-QMMMGPOBSA-N 281.264 0.091 10 10 CCCE CCOC(=O)c1csc(NN(C)S(C)(=O)=O)n1 2301544622 OPQZJIWELDIPOB-UHFFFAOYSA-N 279.343 0.538 10 10 CCCE Cc1cc(NS(=O)(=O)[C@@H]2CC[C@@H]2N)ccc1O 2300756830 HBSIQINXXMEZMT-GXSJLCMTSA-N 256.327 0.932 10 10 CCCE CNCc1ccc(N2C[C@@H]3[C@H](C2)CS3(=O)=O)cc1 2314779862 SHQZESWBQGEMKD-DGCLKSJQSA-N 266.366 0.639 10 10 CCCE CN(C)C[C@@](C)(O)CNCc1cc2c(cc1O)OCO2 131550612 IJSUWPFDVDNCBX-AWEZNQCLSA-N 282.340 0.523 10 10 CCCE COc1cc(N2CC(N)C2)c([N+](=O)[O-])cc1OC 214203113 MYCIFNSNINCGNP-UHFFFAOYSA-N 253.258 0.759 10 10 CCCE C[C@H]1COCC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 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C[C@@H](NC(=O)COc1ccc(N)cc1)C1CS(=O)(=O)C1 2146097112 CGTVRFMEVABWLQ-SECBINFHSA-N 298.364 0.197 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC1CCOCC1 40461820 JHDWXELMWBCCFK-NSHDSACASA-N 280.324 0.263 10 10 CCCE Nc1ccc(CS(=O)(=O)NCC(=O)NC2CCC2)cc1 2153981140 RESLKBJQWKPIHA-UHFFFAOYSA-N 297.380 0.357 10 10 CCCE CCS(=O)(=O)CC(=O)NCC1(CN=[N+]=[N-])CC1 2015467936 DBCNFDAGPMTMEC-UHFFFAOYSA-N 260.319 0.628 10 10 CCCE C[C@@H](NC(=O)NCCCCN=[N+]=[N-])S(C)(=O)=O 2024079925 VEUQQEYSYOIAEL-ZETCQYMHSA-N 263.323 0.767 10 10 CCCE Nc1ccc(O)c(CN2C[C@H](CO)C[C@H]2CO)c1 2029367995 FNHXBNTUHXWYMQ-SKDRFNHKSA-N 252.314 0.150 10 10 CCCE C[C@@H](COCCN)NCCc1ccc(O)c(O)c1 2031080169 WAUMIDVFDVARLU-JTQLQIEISA-N 254.330 0.594 10 10 CCCE OC[C@@H]1CO[C@@H](CNCc2cccc(O)c2O)C1 2039813906 PAYUCXXCMIBAGU-MWLCHTKSSA-N 253.298 0.585 10 10 CCCE CN(Cc1ccccc1O)S(=O)(=O)N1CCC(N)CC1 2160179221 LGMQZLVLPAMAQA-UHFFFAOYSA-N 299.396 0.492 10 10 CCCE NCC[C@H](NC(=O)c1cc(O)nc(O)c1)C(F)(F)F 307821527 PIXNGBISZFBEPG-LURJTMIESA-N 279.218 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MFDDHLHFWVECTC-UHFFFAOYSA-N 286.353 0.312 10 10 CCCE Nc1ccc(N2CCCC[C@H]2CS(N)(=O)=O)cc1 694869805 AOUGVYQOXHWREQ-LBPRGKRZSA-N 269.370 0.916 10 10 CCCE O=C(N[C@@H](CO)C1CCC1)c1ccc(O)c(O)c1 717623563 WGCWTMNRHIKOFD-JTQLQIEISA-N 251.282 0.989 10 10 CCCE CN(C[C@@H](O)CN1CCOCC1)c1ccc(N)cc1 389281680 KWIVJBGNYRYABU-CQSZACIVSA-N 265.357 0.398 10 10 CCCE C[C@H]1COC[C@@H](C(=O)NCc2ccc(N(C)C)cc2)N1 2168308400 WYXOCTZNVDOCSJ-FZMZJTMJSA-N 277.368 0.746 10 10 CCCE CC1(C)C[C@@H](O)[C@@H](O)CN1CCOc1ccc(N)cc1 2188629978 JFVWLJHAZSDKBW-KGLIPLIRSA-N 280.368 0.854 10 10 CCCE COC[C@@](C)(NC(=O)c1cc(O)c(O)c(O)c1)C(=O)O 2188867740 FYPVDYXGGQTGML-GFCCVEGCSA-N 285.252 0.023 10 10 CCCE Cn1ncc(CN)c1NC(=O)C1=S=Nc2ccccc21 2182807380 OGCXXKBMIITNFC-UHFFFAOYSA-N 287.348 0.949 10 10 CCCE Nc1ccc(OC[C@@H](O)CN2CC3(C=CCO3)C2)cc1 2183722142 NIJUJBPMXYKTHM-ZDUSSCGKSA-N 276.336 0.649 10 10 CCCE C[C@@H](O)c1ccc(N2CC[C@H]3OCC(=O)N[C@H]3C2)cc1 2185520802 FQKPXMLTMCDHHP-DDTOSNHZSA-N 276.336 0.834 10 10 CCCE O=C(N[C@H]1CCO[C@H](C(=O)O)C1)c1ccc(O)c(O)c1 2194367191 UYLSFRUKUOVYLY-KWQFWETISA-N 281.264 0.460 10 10 CCCE O=C(NC[C@]1(O)C[C@@H]2CCC[C@@H]21)c1cc(O)nc(O)c1 2197311841 GROSAOJHQXOWJJ-QEVYDEPDSA-N 278.308 0.774 10 10 CCCE Nc1ccc(OCC(=O)N2CC3(CC(CO)C3)C2)cc1 2186549535 HHHNBMUCBABODJ-UHFFFAOYSA-N 276.336 0.879 10 10 CCCE Nc1ccc(OCCC(=O)N[C@@H]2CNCCSC2)cc1 2191680899 XEFFVQDHHKNMOC-GFCCVEGCSA-N 295.408 0.859 10 10 CCCE CN(C(=O)COc1ccc(N)cc1)[C@@H](CN)C(F)(F)F 2191706483 JSTLAYOKDARWFI-JTQLQIEISA-N 291.273 0.996 10 10 CCCE Oc1ccc(CCNC[C@@H]2COCCO2)cc1O 2076663213 MPGDSKAINGQQFO-LLVKDONJSA-N 253.298 0.645 10 10 CCCE CCCNCc1c(-c2ccn(C)c(=O)c2)nnn1C 2100289145 SSIDCSQSSDUTQI-UHFFFAOYSA-N 261.329 0.680 10 10 CCCE O=C(O)[C@@H]1C[C@H](O)CN1Cc1c(O)cccc1F 2080573233 FINDOVFVTBGNPS-XVKPBYJWSA-N 255.245 0.551 10 10 CCCE C[C@H](NC(=O)N(C)c1ccc(N)cc1)S(C)(=O)=O 2082896344 UPYAUFRZYGHCKG-MRVPVSSYSA-N 271.342 0.805 10 10 CCCE COc1cc(N(C)[C@H](C)CC(N)=O)ccc1CN 2084011688 FKVGVSAJPGANPL-SECBINFHSA-N 251.330 0.854 10 10 CCCE O=C(O)[C@@]12COC[C@H]1CN(Cc1ccccc1O)C2 2104691596 MARMFJLLJJCGKP-RISCZKNCSA-N 263.293 0.925 10 10 CCCE COC[C@H]1CNCCN1Cc1cccc(OC)c1O 2088491277 AWAIIEOIPDYUSS-GFCCVEGCSA-N 266.341 0.821 10 10 CCCE C[C@H](N[C@@H]1C[C@H](O)[C@H](O)[C@H]1O)c1cc(F)ccc1O 2108830215 RJRXXQKSHMZUBP-LKBQTESNSA-N 271.288 0.037 10 10 CCCE CO[C@@H]1C[C@@H](O)CN(CCOc2ccc(N)cc2)C1 2109015466 FLMVLVKUWZRATP-TZMCWYRMSA-N 266.341 0.729 10 10 CCCE CN(C)c1ccc([C@H](O)C(=O)c2ncnn2C)cc1 2090856339 FODFYBYZTLTWSI-NSHDSACASA-N 260.297 0.797 10 10 CCCE N[C@H](c1ccccc1O)[C@]1(O)CCO[C@@]12CCOC2 2091859387 OGGLRFFTOHYLTP-MGPQQGTHSA-N 265.309 0.703 10 10 CCCE O=C1CCCN1CCn1ccc2c(c1=O)CNCC2 2094404926 OMLXRHGOZOUVSZ-UHFFFAOYSA-N 261.325 0.116 10 10 CCCE CN(C(=O)[C@H]1CN2CCN1CC2)c1ccc(N)cc1 2099574189 GDXFYEQZXINSNL-CYBMUJFWSA-N 260.341 0.231 10 10 CCCE NC[C@H](C(=O)C(=O)C[C@H]1C[C@H](N)C1)C1CCOCC1 2112570494 AQYHVFCCCJKBDF-DLOVCJGASA-N 268.357 0.254 10 10 CCCE CS(=O)(=O)CNC(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-] 2213584582 FQCLVLGJPHNDLC-NKWVEPMBSA-N 261.307 0.519 10 10 CCCE C[C@]1(CCO)CCN1c1cc2c(cc1N)OCC(=O)N2 2205514653 WGGDJGALCCLQGS-CQSZACIVSA-N 277.324 0.951 10 10 CCCE CC[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)C[C@H]1CN 2205783645 MGRNVAPQVJMHTA-PSASIEDQSA-N 280.324 0.860 10 10 CCCE COc1ccc(N2CC[C@@](C)(O)[C@](C)(O)C2)c(CO)c1 2235965395 ZTXIVBBBNSQOIA-HUUCEWRRSA-N 281.352 0.900 10 10 CCCE N[C@@H]1C[C@@H](F)CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2226285496 RFMMAGAUHXTQMT-HTQZYQBOSA-N 270.260 0.315 10 10 CCCE Nc1ccc(CCN2CCN3C(=O)COC[C@H]3C2)cc1 2236946611 ZMWBAULPEGTWPP-CQSZACIVSA-N 275.352 0.354 10 10 CCCE COc1ccc(N2C[C@H](O)[C@H](O)C2(C)C)c(C=O)c1 2227699837 RRCHSAWWYDXCAC-STQMWFEESA-N 265.309 0.828 10 10 CCCE CNC(=O)[C@H]1CCN(c2ccc(OC)cc2CN)C1 2227679652 MHHQVMIAAMXTJD-JTQLQIEISA-N 263.341 0.726 10 10 CCCE O=[N+]([O-])c1cc(NS(=O)(=O)[C@@H]2CCNC2)ccc1O 2227905706 LKZDPLHFEIANMT-MRVPVSSYSA-N 287.297 0.404 10 10 CCCE C[C@@H](CNC(=O)c1cccc(O)c1O)[C@]1(O)CCNC1 2238448175 VMIAZSUVDLMSLF-XPTSAGLGSA-N 280.324 0.188 10 10 CCCE C[C@H](NC(=O)c1cccc(O)c1O)[C@H]1CCCN1 2258824955 ADRDTSLTUPFFDQ-WCBMZHEXSA-N 250.298 0.968 10 10 CCCE COc1cccc(O)c1CN[C@]1(C)CCNC1=O 2260551904 VWHQEPXUJOSYCN-CYBMUJFWSA-N 250.298 0.769 10 10 CCCE CNC(=O)NC(=O)CCN(C)c1ccc(OC)cc1 2264362702 MYHAWVOVKMRQAH-UHFFFAOYSA-N 265.313 0.977 10 10 CCCE CO[C@H]1C[C@H](NC(=O)NCc2cc(N)ccc2O)C1 2265426544 OIXMLZUSJIWNSY-XYPYZODXSA-N 265.313 0.951 10 10 CCCE COc1cc(OC)c(N2CCOC[C@H]2CO)c(OC)c1 2287068867 NWUMORPFIYWLAX-SNVBAGLBSA-N 283.324 0.910 10 10 CCCE CC[C@]1(NC(=O)CCc2ccc(N)cc2)CCNC1=O 2288934068 XWNLAGLPQVZRCC-HNNXBMFYSA-N 275.352 0.986 10 10 CCCE CSc1cc(N2C[C@H]3C[C@H]2[C@H](O)[C@H]3O)ccc1CN 2353851593 MRKZALGTSCCYSN-OJDJGZDQSA-N 280.393 0.798 10 10 CCCE CC(=O)C(=O)[C@]1(O)CC[C@H]1NC(=O)OCc1ccccc1 1953265753 BPIUTPJHGXXIGF-DOMZBBRYSA-N 291.303 0.964 10 10 CCCE C[C@@H]1C(=O)NCCN1Cc1cc([N+](=O)[O-])ccc1O 173296801 UKZKBUDYTVVURT-MRVPVSSYSA-N 265.269 0.621 10 10 CCCE NC[C@H]1[C@@H]2CC[C@@H](C2)N1C(=O)c1cc(O)c(O)c(O)c1 2356974838 DVEYGCYNCTYJQX-JEZHCXPESA-N 278.308 0.755 10 10 CCCE CCOC(=O)CN(CCOC)C(=O)Cc1ccc(N)cc1 37813808 LEMIZNJCJXUYRX-UHFFFAOYSA-N 294.351 0.849 10 10 CCCE CN(C)S(=O)(=O)NCCOc1ccc(N)cc1 32111126 OWCYQUBCPXFNQY-UHFFFAOYSA-N 259.331 0.044 10 10 CCCE C[C@H]1CC[C@@H](C(N)=O)CN1CC(=O)Nc1ccc(N)cc1 42427070 VGOJAUOZPXXOEH-WDEREUQCSA-N 290.367 0.793 10 10 CCCE Oc1c(Br)cccc1CN=c1nn[nH][nH]1 379927062 LZNZQURCOAAXMG-UHFFFAOYSA-N 270.090 0.702 10 10 CCCE NC(=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 196595158 KKQQADPHFLQNIK-UHFFFAOYSA-N 294.266 0.886 10 10 CCCE CN(C)c1ccc2c(c1)OCCN2[C@@H]1CCNC1=O 179306618 DPBPEWCSKAXOFC-GFCCVEGCSA-N 261.325 0.840 10 10 CCCE O=C(NCC[C@H]1CCNC1)c1ccc(O)c(O)c1 236560987 XFNFDDCAMQPXSD-SECBINFHSA-N 250.298 0.827 10 10 CCCE [N-]=[N+]=NCCCN[C@@]1(C(=O)O)CCCS(=O)(=O)C1 90258946 ZLZSWKDRIXCKHU-VIFPVBQESA-N 276.318 0.308 10 10 CCCE COC[C@@H](C)OC[C@H](O)CNCc1ccccc1O 234857600 JJDNGSMLLLSZIA-DGCLKSJQSA-N 269.341 0.894 10 10 CCCE CS(=O)(=O)NC1CN(c2ccc(/C=C/C(=O)O)cc2)C1 703011490 QUFLKJNGIHSXKP-QPJJXVBHSA-N 296.348 0.522 10 10 CCCE CN[C@@H](CNC(=O)c1cc(O)nc(O)c1)C(C)(C)C 721633344 RCVCYIAQOCOBHM-VIFPVBQESA-N 267.329 0.857 10 10 CCCE CN(C)C[C@H]1CCN1C(=O)c1cc(O)c(O)c(O)c1 2132412987 JBFWYTFKYQXKQS-SECBINFHSA-N 266.297 0.580 10 10 CCCE CNCC[S@@](C)(=O)=NC(=O)c1cc(O)c(O)c(O)c1 2132408925 ASIFWSDIBHZZKZ-LJQANCHMSA-N 288.325 0.261 10 10 CCCE NC[C@@]12C[C@@H]1CN(C(=O)c1cc(O)c(O)c(O)c1)C2 2132420028 YQWLGPKPVWFQAW-AMIZOPFISA-N 264.281 0.224 10 10 CCCE CN1CCOC[C@]1(CO)CN[C@@H]1CCc2cccc(O)c21 903276801 CCRVYKACEXWHPP-CZUORRHYSA-N 292.379 0.662 10 10 CCCE CCO[C@@H]1C[C@H](N)[C@@H]1NC(=O)Nc1ccc(N)cc1 1876152236 CNHDLRLKSNTDJS-TUAOUCFPSA-N 264.329 0.895 10 10 CCCE C[C@@H]1[C@H](N)CCCN1S(=O)(=O)Cc1ccc(N)cc1 1876527559 QBBYLTYDEMHABL-ZWNOBZJWSA-N 283.397 0.910 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@H]2C[C@@H]2CO)cc1 1905601770 JCKREYTWIBBALH-MWLCHTKSSA-N 256.327 0.069 10 10 CCCE O=C(CN1CCC[C@H](O)C1)c1ccc(O)c(O)c1 49934081 QRIMVFNYMMUWHS-JTQLQIEISA-N 251.282 0.737 10 10 CCCE CCNC(=O)[C@@H](N)c1cc(O)c(O)c([N+](=O)[O-])c1 83408390 HQLOOIRUYPOHDK-QMMMGPOBSA-N 255.230 0.142 10 10 CCCE CN1C(=O)[C@H](O)c2ccc(N3C[C@H]4COC[C@H]4C3)cc21 718271494 NYPYICXUIHNGJL-ISTVAULSSA-N 274.320 0.779 10 10 CCCE CN1C(=O)N(c2ccc(N)cc2)C(=O)[C@H]2COC[C@H]21 90431281 RSFCLQCLTGGBGV-WDEREUQCSA-N 261.281 0.682 10 10 CCCE O=C(NCc1ccccc1O)C1CC2(C1)CS(=O)(=O)C2 1346449759 HYEZMHDXSPZXED-UHFFFAOYSA-N 295.360 0.833 10 10 CCCE Nc1ccc(NC(=O)CN2C[C@H]3C[C@H]2C[C@H]3O)cc1 2115452420 IWRGLMDTGLOUEI-JIMOISOXSA-N 261.325 0.662 10 10 CCCE NC(=O)[C@H]1CCC[C@@H]1NCc1ccc(O)c(O)c1O 2117457305 ADUDYRHPGZFAOF-IUCAKERBSA-N 266.297 0.547 10 10 CCCE NC(=O)[C@@H]1OCC[C@@H]1Nc1c(N)cccc1C(=O)O 2117473962 VODARACXBKRUCE-WCBMZHEXSA-N 265.269 0.022 10 10 CCCE C[C@H](CN1CCCC1=O)NC(=O)Cc1ccc(O)c(O)c1 1292479298 XQRGAKAUSATMLG-SNVBAGLBSA-N 292.335 0.767 10 10 CCCE C[C@@H](O)[C@@H]1CN(C(=O)c2ccc(O)c(O)c2)CCO1 2117533263 WVMRWIANWBFYOC-PELKAZGASA-N 267.281 0.320 10 10 CCCE Cc1ccc(O)c([C@@H](C(N)=S)N(C)CCO)c1 212020716 FAHUMNNLYGIADV-NSHDSACASA-N 254.355 0.952 10 10 CCCE Cc1cc(N2CC3(CNS(=O)(=O)C3)C2)ccc1CO 2119564682 NFTMLDWFBARHIP-UHFFFAOYSA-N 282.365 0.227 10 10 CCCE OCCN[C@@H]1CCN(c2ccc3c(c2)OCO3)C1 259432507 UONJYRNPURYICH-SNVBAGLBSA-N 250.298 0.576 10 10 CCCE COc1ccc(CNC[C@@H](O)CNC(C)=O)cc1C 1568546715 GNECQPNACYZEDF-CYBMUJFWSA-N 266.341 0.590 10 10 CCCE C[C@H](N)[C@H](C)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 156728930 LAWXNRZKPCSVGW-NRPADANISA-N 296.323 0.193 10 10 CCCE O=C(CCNCc1cc(Cl)ccc1O)Nc1nn[nH]n1 1857854622 NSLVJHOJDKPYKT-UHFFFAOYSA-N 296.718 0.677 10 10 CCCE CN(CCN=[N+]=[N-])Cc1nc(N(C)C)[nH]c(=N)n1 1912167503 LMPZUKBYVHQAAS-UHFFFAOYSA-N 251.298 0.092 10 10 CCCE CCOC(=O)CS(=O)(=O)N1CC[C@@H](N=[N+]=[N-])C1 1912177607 JYSYVIUBZRIIAT-SSDOTTSWSA-N 262.291 0.264 10 10 CCCE CO[C@@H]1C[C@@H]2C[C@](NCCCN=[N+]=[N-])(C(N)=O)[C@H]2C1 2133967171 DFYFTYJJQPEVSH-MWGHHZFTSA-N 267.333 0.945 10 10 CCCE CC[C@@H]1C(=O)NCCN1c1ccc2c(c1)NC(=O)[C@@H]2N 110680332 YERROUYOIUTMCA-VXGBXAGGSA-N 274.324 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CCN(CC)C(=O)CCn1ccc2c(c1=O)CNCC2 2173772319 QKWKOIXFSRZFOU-UHFFFAOYSA-N 277.368 0.753 10 10 CCCE CCOc1cccc(CN[C@H]2CCO[C@H]2C(N)=O)c1O 2174102781 IJXBHRYWYNYMGK-GXFFZTMASA-N 280.324 0.523 10 10 CCCE CN1C[C@H](NCc2ccc(O)c(O)c2O)CCCC1=O 2188499213 MVFJGHIAHBXYTB-SNVBAGLBSA-N 280.324 0.904 10 10 CCCE O=C1CN(c2ccc3c(c2)CC[C@H]3O)CCN1CCO 2184731643 KVZDLCYHSHQODU-CQSZACIVSA-N 276.336 0.307 10 10 CCCE C[S@](=O)C1CN(c2ccc([N+](=O)[O-])c(CO)c2)C1 2051893006 WQJKEGZZQFASPF-SFHVURJKSA-N 270.310 0.654 10 10 CCCE C[C@H](O)c1cc(F)c(N(C)[C@@H]2CC(=O)NC2=O)c(F)c1 2194514668 QKELJSCRFKZKHK-QUBYGPBYSA-N 284.262 0.869 10 10 CCCE COc1cc(Cl)cc(CN[C@H](CO)[C@H](C)O)c1O 2053799524 HSYXJXMFBCIOKI-OIBJUYFYSA-N 275.732 0.886 10 10 CCCE Nc1ccc(NC(=O)N[C@@H]2[C@H](N)[C@@H]3CCCO[C@H]32)cc1 2191538776 MUDQIMNPVASRCD-UMSGYPCISA-N 276.340 0.895 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@@H](N)C3(CCC3)C2)cc1 2191759120 AFULGLAWRISTIS-CYBMUJFWSA-N 295.408 0.912 10 10 CCCE C[C@@]1(CO)CNCCN1C(=O)CCc1ccc(N)cc1 2191717758 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282.731 0.604 10 10 CCCE CNC[C@H](NC(=O)c1cc(O)c(O)c(O)c1)C(C)C 2132411391 UWWSMOBZZAHLNR-VIFPVBQESA-N 268.313 0.777 10 10 CCCE NC[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)C(F)(F)F 2132414133 UJTJVTJNYATDOV-SSDOTTSWSA-N 280.202 0.423 10 10 CCCE CCON(C(=O)c1cc(O)c(O)c(O)c1)C1CNC1 2132402691 ZVZYLOCVTLHLRG-UHFFFAOYSA-N 268.269 0.169 10 10 CCCE C[C@H](N)C[S@@](C)(=O)=NC(=O)c1cc(O)c(O)c(O)c1 2132411989 ZINBHKKJVURWTG-INMOSUBGSA-N 288.325 0.389 10 10 CCCE COC(=O)[C@H](CCF)NC(=O)c1cccc(O)c1O 846425780 LXMGSYZPVJDBBS-QMMMGPOBSA-N 271.244 0.729 10 10 CCCE Cc1c[nH]c(CC(N)=O)c1C(=O)N1CCCc2n[nH]cc21 1139451633 AUHQIZUKFHUOLQ-UHFFFAOYSA-N 287.323 0.667 10 10 CCCE COC(=O)[C@@H](CO)NCc1ccc2c(c1)CCO2 83384631 LDQASUBRUTVZOP-LLVKDONJSA-N 251.282 0.245 10 10 CCCE C[C@H](N)c1ccc(N(C)CC(C)(CO)CO)cc1O 689676255 SZZRRFZXINFKOM-JTQLQIEISA-N 268.357 0.839 10 10 CCCE NS(=O)(=O)CCNCc1cc(F)cc(F)c1O 708494486 KZJGTKVEHBBMHF-UHFFFAOYSA-N 266.269 0.049 10 10 CCCE CN(C)c1ccc(CN2CCNC[C@H]2C(N)=O)cc1 88659372 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Nc1ccc(OCC(=O)NCC2[C@@H]3CNC[C@@H]23)cc1 1876510639 FCJGVTMDMYMIDL-VXGBXAGGSA-N 261.325 0.229 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC[C@@H]3CNC[C@H]32)cc1 1876404692 ZVXNHXDGSOOJOZ-DGCLKSJQSA-N 281.381 0.392 10 10 CCCE OC[C@H]1COCC[C@@H]1NCc1ccc(O)c(O)c1O 1878775212 PIYYBTYJGOWAAZ-UWVGGRQHSA-N 269.297 0.290 10 10 CCCE C[C@@H](N)c1cc(F)c(N2C[C@@H](O)C[C@@H](O)C2)c(F)c1 1880927197 JOLMHHPTHVVQHN-QNSHHTMESA-N 272.295 0.916 10 10 CCCE NCc1ccc2c(c1)OCCN2CC(=O)N1CCCC1 74338226 OCZKDUNMLWRAME-UHFFFAOYSA-N 275.352 0.967 10 10 CCCE O=C(O)[C@@H](Cc1cnc[nH]1)N1C(=O)CSC1=S 77098315 HHFYCTGWYDYQSQ-ZCFIWIBFSA-N 271.323 0.266 10 10 CCCE CC(C)(C)OC(=O)NC1CN(CC(=O)NCCN=[N+]=[N-])C1 1885557972 XGRGECQIYQNFTE-UHFFFAOYSA-N 298.347 0.622 10 10 CCCE Cc1ccc(CNC(=O)CC[C@H](N)C(=O)O)c(O)c1 83483703 ALGDYUGGDXPAPN-JTQLQIEISA-N 266.297 0.509 10 10 CCCE C[C@H]1CN(C2=NC(=O)/C(=C\C3=Cc4ccccc4O[C@@H]3C)S2)C[C@H](C)O1 94211886 GGHHPBOFXBEBAP-SNVBAGLBSA-N 370.474 3.473 10 10 CCCE [N-]=[N+]=NCCCCNC(=O)c1cn2cnnc2cn1 702535068 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O=C(N[C@H]1CCC[C@@H]1CO)c1cccc(O)c1O 229416605 PNMHDXPKULFFDK-SCZZXKLOSA-N 251.282 0.989 10 10 CCCE CS[C@@H](CO)[C@@H](C)NC(=O)c1ccc(O)c(O)c1 227040776 REKSYBMXUDRZTA-HQJQHLMTSA-N 271.338 0.940 10 10 CCCE O=C(O)[C@@H]1CCN(C(=O)c2ccc(O)c(O)c2)C1 236454003 HTSDGCAMETYDKE-MRVPVSSYSA-N 251.238 0.645 10 10 CCCE CCS(=O)(=O)c1ccc(C(=O)OCC(=O)C(C)=O)cc1 808508818 LPIBLSPFRFKHKC-UHFFFAOYSA-N 298.316 0.795 10 10 CCCE COc1cncc([C@H](NCCCN=[N+]=[N-])C(N)=O)c1 700042087 PBHBLYCCHLCTRS-JTQLQIEISA-N 264.289 0.907 10 10 CCCE CC(=O)C(=O)COC(=O)c1cc2c(nc1O)CCCC2 808516400 IVBUIOXINIMUJA-UHFFFAOYSA-N 277.276 0.981 10 10 CCCE Nc1ccc(-n2ccc(C(=O)NC/C=C\CO)n2)cc1 717536855 BTIPYWJUVLHYQI-UPHRSURJSA-N 272.308 0.733 10 10 CCCE Cn1cc(NC(=O)c2ccc(O)c(O)c2)c(C(=O)O)n1 725205219 IYUOOCUEYKDWGN-UHFFFAOYSA-N 277.236 0.782 10 10 CCCE C[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)c1nc[nH]n1 2132348673 QIWDLYMQZFUOMP-RXMQYKEDSA-N 264.241 0.413 10 10 CCCE CCC[C@H](CO)CNC(=O)c1cc(O)c(O)c(O)c1 2132351547 YEJZTBXZAGWXDH-QMMMGPOBSA-N 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CN[C@@H]1C(=O)Nc2cc(N3CCC[C@H](O)C3)ccc21 104983909 RZNHSTXPRPBHRS-GWCFXTLKSA-N 261.325 0.860 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NCC[C@@H](O)C(F)F 1635309516 ZMEKMWLESAYSMA-SECBINFHSA-N 275.251 0.773 10 10 CCCE C[C@H]1C[C@@H](CO)CN1C(=O)c1cccc(O)c1O 1964967566 YEXBUZJIHYPUPA-DTWKUNHWSA-N 251.282 0.941 10 10 CCCE CN(C[C@@H](N)CO)c1ccc2c(c1)OCCCO2 259141893 UPXLHTKOTWVUCB-SNVBAGLBSA-N 252.314 0.604 10 10 CCCE OC[C@@H]1CN(c2ccc3c(c2)CC[C@H]3O)C[C@@H]1CO 2128317060 AXCVIEGWPIVKBU-TYNCELHUSA-N 263.337 0.703 10 10 CCCE CO[C@@H]1C[C@@H](NC(=O)c2ccc(O)c(O)c2)C[C@H]1O 2130695803 SSSATVPCETYBFN-XXILOJSOSA-N 267.281 0.366 10 10 CCCE CCNC(=O)NC(=O)[C@@H](C)N(C)CCCN=[N+]=[N-] 1912174567 BCGQGSYAHLBREG-MRVPVSSYSA-N 256.310 0.853 10 10 CCCE CNC(=O)NC(=O)[C@@H](C)N1CC[C@H](CN=[N+]=[N-])C1 1912187267 GHFQJVMHRQGTIH-HTQZYQBOSA-N 254.294 0.463 10 10 CCCE C[C@@H]1CN(C(=O)Cc2ccc(N)cc2)C[C@H]1C(=O)O 111256961 DBBNFEOYUBRFOH-BXKDBHETSA-N 262.309 0.990 10 10 CCCE C[C@H](c1ccccc1O)N(C)C(=O)[C@@H]1C[C@@H](O)CN1 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C[C@@H](NC[C@@H]1CN(C)CCN1C)c1c(O)cccc1O 235212783 BFAAAXUTZZJGHZ-VXGBXAGGSA-N 279.384 0.994 10 10 CCCE CN1C[C@H](O)[C@@H](NCc2cc(Cl)ccc2O)C1 1942693121 MEVJVGVHAQYIOA-JQWIXIFHSA-N 256.733 0.810 10 10 CCCE O=C1Nc2cc(N3C[C@@H]4C[C@@]4(CO)C3)c(F)cc2[C@@H]1O 2146305314 FKCYXLFFKVKWSE-FMCKTDMXSA-N 278.283 0.630 10 10 CCCE C[C@@H](O)c1ccc(N2CC(S(C)(=O)=O)C2)cc1 1946920568 CUWZIQVOAOZLEB-SECBINFHSA-N 255.339 0.973 10 10 CCCE O=C(O)C=C[C@H]1NCCc2c1cc(O)c(O)c2O 1951311089 RUQJNXPMGPJJKA-MRVPVSSYSA-N 251.238 0.631 10 10 CCCE CCN(C(=O)Cc1ccc(N)cc1)[C@H]1CCNC1=O 1972464505 DBTKWEFXHNVKNX-LBPRGKRZSA-N 261.325 0.548 10 10 CCCE CNC(=O)NCCCNC(=O)Cc1ccc(N)cc1 1973866020 POQYJLQDMMMZFV-UHFFFAOYSA-N 264.329 0.247 10 10 CCCE C[C@H](O)[C@@H]1CCN(c2cc3c(cc2N)OCC(=O)N3)C1 167609756 GNJPVKXDLAFKAO-DTWKUNHWSA-N 277.324 0.807 10 10 CCCE CC(=O)N1CCN(CC(=O)c2ccc(O)c(O)c2)CC1 34989070 DDXVQQWCQVRCQE-UHFFFAOYSA-N 278.308 0.445 10 10 CCCE O=C1C[C@@H](NCCc2ccc(O)c(O)c2)[C@H]2CCCN12 2148011341 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276.270 0.423 10 10 CCCE CCN[C@H](C)c1ccc(N2C[C@@H](CO)[C@@H](O)C2)cc1O 316530902 GIUQWBCBYXOXRQ-ZETOZRRWSA-N 280.368 0.852 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3[C@H]4CC[C@H]3[C@@H](CO)C4)ccc21 2157228904 BODSFQGQQPFPFQ-OBPYKSBLSA-N 273.336 0.988 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CCC[C@@](F)(CO)C3)ccc21 2157521861 QHTMKDCVGOSWOQ-JSGCOSHPSA-N 279.315 0.939 10 10 CCCE CN(C)C[C@@H]1CCN1c1ccc2c(c1)N(C)C(=O)[C@H]2N 2160883752 XJJGNEMURFYWKK-FZMZJTMJSA-N 274.368 0.803 10 10 CCCE C[P@]1(=O)C[C@@H](O)[C@H](NC(=O)COc2ccc(N)cc2)C1 2177850218 QFLXZWBATZTYOG-FKANQGBASA-N 298.279 0.500 10 10 CCCE C[C@@H](C(N)=O)N(C)c1ccc2c(c1)N(C)C(=O)[C@H]2O 711122854 TUVYWCXLVNBPKL-CPCISQLKSA-N 263.297 0.006 10 10 CCCE O=C(NC[C@@H]1[C@@H](C(=O)O)C1(F)F)c1cc(O)nc(O)c1 715308412 KPMYYMSVQQKKDX-XRGYYRRGSA-N 288.206 0.189 10 10 CCCE O=C1CCC[C@@H](NC(=O)c2cc(O)nc(O)c2)C1 715635621 ODDRMRUTXHOMMY-MRVPVSSYSA-N 250.254 0.734 10 10 CCCE CN(CCCCO)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 385082894 HHANKBGFPYWNDT-NSHDSACASA-N 282.340 0.199 10 10 CCCE O=C(NCC[C@H]1CNCCO1)c1cccc(O)c1O 389311367 RBSGAQDFSQGJQP-VIFPVBQESA-N 266.297 0.206 10 10 CCCE CNC(=O)[C@@H]1CCN(C(=O)COc2ccc(N)cc2)C1 398511533 NAPVMNFAKJZATP-SNVBAGLBSA-N 277.324 0.242 10 10 CCCE CCN(c1ccc(CN)cc1)[C@@H]1CS(=O)(=O)C[C@@H]1OC 829256125 QWOCPZRLFZZYJF-KGLIPLIRSA-N 298.408 0.784 10 10 CCCE Cc1cc(O)n2ncc(C(=O)N3C[C@@H](O)C[C@@H]3C)c2n1 2064711889 CCARSNYBLMDJNB-IUCAKERBSA-N 276.296 0.339 10 10 CCCE CCN(CCOCCO)c1ccc(CO)c([N+](=O)[O-])c1 2188573594 HWPLUUSHQOOREK-UHFFFAOYSA-N 284.312 0.922 10 10 CCCE O=C(O)[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)C[C@@H]1F 2188867572 CQZBNPIOXRTCOB-RQJHMYQMSA-N 285.227 0.298 10 10 CCCE O=C(N[C@@H]1CN[C@H]2CCC[C@@H]21)c1cc(O)c(O)c(O)c1 2188923878 MULCNILKOIDGNF-LPEHRKFASA-N 278.308 0.674 10 10 CCCE N[C@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(O)c1O)C2 2189063022 AIXKDSUIOWBKHO-GDGBQDQQSA-N 278.308 0.144 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3C[C@H]4C[C@H](O)C[C@H]4C3)ccc21 2185190823 SBCTXPBRGALYLW-SAOAKYDJSA-N 273.336 0.846 10 10 CCCE OCc1ccc(N2C[C@H]3C[C@H]2[C@@H](O)[C@@H]3O)c(F)c1 2042549690 AAGZPEWDIKZFES-GHORINQJSA-N 253.273 0.248 10 10 CCCE CO[C@@H]1C[C@H](C)CC[C@]1(NCCN=[N+]=[N-])C(N)=O 2043828023 LXNGYWDHOWYYHH-FXPVBKGRSA-N 255.322 0.945 10 10 CCCE C[C@@H](O)C[C@H]1COCCN1C(=O)c1cc(O)nc(O)c1 2185336507 FUENFAUMIRUYHO-SCZZXKLOSA-N 282.296 0.105 10 10 CCCE N[C@H]1C[C@@](F)(CNC(=O)c2cccc(O)c2O)C1 2046402075 WZDASZUTDXWSGI-HCJPZQEFSA-N 254.261 0.657 10 10 CCCE Nc1cccc(C(=O)O)c1N[C@@H]1C[C@H](O)C[C@H]1O 2046528143 ZYOJPMRRZRRHFV-WQGWLQIFSA-N 252.270 0.263 10 10 CCCE C[C@@H](O)c1cc(F)c(N2C[C@H]3C[C@H]2[C@@H](O)[C@H]3O)c(F)c1 2194521733 YMTNTYSQOMLHOG-SZNPICBBSA-N 285.290 0.948 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@H]2CC[C@@H](O)C2)cc1 2057788519 AMGLJRMRYAWSIN-VXGBXAGGSA-N 270.354 0.602 10 10 CCCE COc1cc(Cl)cc(CN2C[C@@H](O)CC23CNC3)c1O 2186615599 POKNDTDZICHVNP-NSHDSACASA-N 298.770 0.963 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@]23CCC[C@H]2CNC3)cc1 2191646519 USLXNNSCCGOYBE-GXTWGEPZSA-N 295.408 0.830 10 10 CCCE CN(C)c1nc(=NCCc2ccc(N)cc2)[nH]cc1N 2191621314 HTZSEEBGWRJEHN-UHFFFAOYSA-N 272.356 0.784 10 10 CCCE Nc1ccc(OCC(=O)N2CCC[C@@H]3CNC[C@@H]32)cc1 2191729649 HFDQQWCQHUHWKC-RISCZKNCSA-N 275.352 0.858 10 10 CCCE C[C@@H](N)c1ccc(N2C[C@@H](O)C[C@H](O)C2)cc1O 2063355026 IFRIELBZTNNOSE-MIMYLULJSA-N 252.314 0.344 10 10 CCCE CC1(C)OC[C@H](NCc2cccc(O)c2O)[C@@H]1O 2078737187 JSHYXWBVUSJRPN-CABZTGNLSA-N 253.298 0.726 10 10 CCCE CN1C[C@H](N(C)Cc2ccc(N(C)C)cc2)[C@H](O)C1 2100718713 BSXMKNNKRSYIAC-LSDHHAIUSA-N 263.385 0.859 10 10 CCCE NC(=O)c1cccc(N)c1N[C@@H]1CO[C@@H]2COC[C@H]12 2101867917 JBKFJEVHPXPTFF-FBIMIBRVSA-N 263.297 0.193 10 10 CCCE CCOC(=O)[C@@]1(NCCCN=[N+]=[N-])CN2CC[C@H]1C2 2102415382 PYZMOEBGQYADSE-CMPLNLGQSA-N 267.333 0.914 10 10 CCCE COC(=O)[C@@](C)(O)CNCc1ccc2c(c1)CCO2 2104273028 CFELTIORBVZTNF-AWEZNQCLSA-N 265.309 0.635 10 10 CCCE CC1CC(CO)(NS(=O)(=O)Cc2ccc(N)cc2)C1 2107264100 QWXKDVPXPNTMHC-UHFFFAOYSA-N 284.381 0.849 10 10 CCCE Nc1ccc(OCCN2C(=O)CCCS2(=O)=O)cc1 2089671575 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O=C1Nc2cc(N3C[C@@H]4COC[C@H]4C3)ccc2[C@@H]1O 718345419 HYPZGRRLYNINPD-KKFJDGPESA-N 260.293 0.755 10 10 CCCE C[C@@H]1CN(c2ccc([N+](=O)[O-])c(CO)c2)C[C@H]1O 387802743 OUOOWWLBCMWVSS-PRHODGIISA-N 252.270 0.904 10 10 CCCE NC(=O)CCS(=O)(=O)CCCc1ccc(N)cc1 399328120 MURMJMUTSKYNMA-UHFFFAOYSA-N 270.354 0.492 10 10 CCCE CO[C@H]1COC[C@@H]1NC(=O)CCOc1ccc(N)cc1 2177268192 UTNMIBGRTFWMRW-STQMWFEESA-N 280.324 0.568 10 10 CCCE CCc1c[nH]c(=N)[nH]c1=NCCOc1ccc(N)cc1 2173907653 PDTDDKPBJHDFAV-UHFFFAOYSA-N 273.340 0.947 10 10 CCCE C[C@@H](NCC1CN(CC(=O)O)C1)c1ccc(O)cc1O 2169328503 YBFGIZGOSKHFTG-SECBINFHSA-N 280.324 0.765 10 10 CCCE Nc1ccc(O)c(CN2C[C@@H](O)[C@H](O)CC23CCC3)c1 2169876296 RMVBPKDRXLAJFF-ZIAGYGMSSA-N 278.352 0.825 10 10 CCCE O=[N+]([O-])c1cc(N2CC(N3CC(F)C3)C2)ccc1CO 2188577782 VFQAVNYMWFZGEA-UHFFFAOYSA-N 281.287 0.929 10 10 CCCE CN(c1ccc(CO)c([N+](=O)[O-])c1)[C@H]1CCC(=O)NC1 2188571549 GZIQAOPCZITTAM-NSHDSACASA-N 279.296 0.802 10 10 CCCE O=[N+]([O-])c1cc(CO)ccc1N1CCO[C@H]2COC[C@H]21 2192646290 DHFYNRHMRBHGMC-OLZOCXBDSA-N 280.280 0.691 10 10 CCCE Cc1cc(O)nc(NC(=O)c2cc(O)c(O)c(O)c2)n1 2192636805 LGAOPAACHWXDNH-UHFFFAOYSA-N 277.236 0.860 10 10 CCCE C[C@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)C[C@@H](C)[C@H]1N 2188919718 PAKZZMJXMGVBRN-IJBDUVHLSA-N 280.324 0.859 10 10 CCCE Nc1ccc(CCCN2C[C@@H](O)C[C@@H](O)C2)cc1 2043188183 ROHPMKVYMNMFIS-OKILXGFUSA-N 250.342 0.629 10 10 CCCE CN(CC(=O)O)S(=O)(=O)Nc1ccc(O)c(Cl)c1 2043252380 ROKWHCHLWPWCRY-UHFFFAOYSA-N 294.716 0.719 10 10 CCCE C[C@@](F)(CN)CS(=O)(=O)NCc1ccccc1O 2046027996 DZWPJYHIWLDXAS-LLVKDONJSA-N 276.333 0.499 10 10 CCCE NC[C@@H](F)C1CN(C(=O)c2cccc(O)c2O)C1 2048042875 VIKKCKHDGNNVQO-SECBINFHSA-N 254.261 0.467 10 10 CCCE COC(=O)[C@H](N)[C@H](O)c1ccc2c(c1)CCN2C 2049012442 DMYHYWXJPYOPJV-VXGBXAGGSA-N 250.298 0.213 10 10 CCCE CN(C)CC1(NCc2cccc(F)c2O)COC1 2056768868 AUZZWSLJRGLTQY-UHFFFAOYSA-N 254.305 0.952 10 10 CCCE CCNC(=O)NC(=O)CN1CCC[C@H]1CN=[N+]=[N-] 2059060558 XHSLLOUUDHREOC-QMMMGPOBSA-N 254.294 0.607 10 10 CCCE C[C@@H](c1ccc(F)cc1O)N1C[C@H](O)C[C@@H]1CN 2060808444 YDCWUGZPGJSHCK-JMJZKYOTSA-N 254.305 0.986 10 10 CCCE C[C@H](CC(N)=S)NC(=O)c1cc(O)c(O)c(O)c1 2068618950 VJJOFFMBHVBTEI-RXMQYKEDSA-N 270.310 0.598 10 10 CCCE C[C@H](NC(=O)[C@H](N)CN(C)C)c1ccccc1O 2072483564 GBCNHPKPEQYEEO-GXSJLCMTSA-N 251.330 0.458 10 10 CCCE NCC[C@H]1CN(C(=O)COc2ccc(N)cc2)CCO1 2191716327 JOLJVBWEXZQMBX-ZDUSSCGKSA-N 279.340 0.224 10 10 CCCE NCc1ccc(N2C[C@@H]3C(C(N)=O)[C@H]3C2)cc1Cl 2081449755 UPARESOXIVMTBQ-UWVGGRQHSA-N 265.744 0.966 10 10 CCCE O=C(NC[C@@H]1CNCCOC1)c1cccc(O)c1O 2102332237 FNVMSMPMMYHRRQ-VIFPVBQESA-N 266.297 0.064 10 10 CCCE CNC(=O)[C@@H](C)N(C)c1ccc(CO)c(OC)c1 2084014779 WWXQAXWYGAVPHI-SECBINFHSA-N 252.314 0.758 10 10 CCCE N[C@H]1C[C@H]2C[C@H]1C[C@@H]2NC(=O)c1ccc(O)c(O)c1 2104407673 IDMJHHCJEITBIO-VLEAKVRGSA-N 262.309 0.953 10 10 CCCE Cc1cccc(O)c1CN1CCO[C@@H]2[C@@H](C(=O)O)[C@@H]21 2104508823 HUIOPZRKTSJARJ-RWMBFGLXSA-N 263.293 0.984 10 10 CCCE Nc1ccc(O)c(CN2C[C@H]3CS(=O)(=O)C[C@H]3C2)c1 2087859411 AHYRESIIWKIESA-PHIMTYICSA-N 282.365 0.451 10 10 CCCE CCN(CCCC(=O)O)C(=O)c1cc(O)nc(O)c1 2088022121 ITCHEGAGTVKNOO-UHFFFAOYSA-N 268.269 0.820 10 10 CCCE NN[C@@H](c1ccccc1O)[C@H]1CCn2ncnc2C1 2108977682 BFYWVKPLMHLGFW-TVQRCGJNSA-N 259.313 0.751 10 10 CCCE Nc1ccc(CC(=O)N2CC([C@H](F)C(=O)O)C2)cc1 2110561230 PMPGMKHIVLYZGN-LBPRGKRZSA-N 266.272 0.692 10 10 CCCE O=C(c1cccc(O)c1O)N1CC[C@@H](C2CNC2)C1 2093491251 AKHWHAPLOYLCMO-SECBINFHSA-N 262.309 0.779 10 10 CCCE Cc1cc(N2C[C@@H](CCO)[C@@H](CO)C2)ccc1CO 2093502297 XGMGSBHQDHSCEN-TZMCWYRMSA-N 265.353 0.914 10 10 CCCE CCN(C)C1CN(CC(=O)c2ccc(O)c(O)c2)C1 2113145852 GRWBGRFWKNPRQY-UHFFFAOYSA-N 264.325 0.916 10 10 CCCE N[C@H]1CO[C@@]2(CCN(C(=O)c3cccc(O)c3O)C2)C1 2201778002 KIDFTVMNCFKGBZ-OTYXRUKQSA-N 278.308 0.430 10 10 CCCE CNCc1ccc(N2CC3(CNC(=O)C3)C2)cc1OC 2204536068 LJUSAGCHOSWFBG-UHFFFAOYSA-N 275.352 0.741 10 10 CCCE Cc1cccc(CN=c2[nH]c(N(C)C)nc(=N)[nH]2)c1O 2204629860 PHVWKMHFEFDBQR-UHFFFAOYSA-N 274.328 0.398 10 10 CCCE N[C@@H]1C(F)(F)C12CC(NC(=O)c1cccc(O)c1O)C2 2207140292 GYCYXDWNJWAYNJ-WQGPLGNCSA-N 284.262 0.953 10 10 CCCE CN(C(=O)OC(C)(C)C)C1(COc2nnc(=N)[nH]n2)CC1 2209560653 POMWIXSWZCARDP-UHFFFAOYSA-N 296.331 0.457 10 10 CCCE O=C([C@@H]1CNc2ccccc2N1)N1C[C@H](O)C[C@@H](F)C1 2234683625 JZUYUGBUJLIFDF-BREBYQMCSA-N 279.315 0.824 10 10 CCCE OC[C@@H]1NC[C@H]2CN(c3ccc4c(c3)COCC4)C[C@H]21 2235564781 GZHBGDKZWJFEAY-IMJJTQAJSA-N 274.364 0.776 10 10 CCCE COC[C@@H]1[C@H](O)[C@@H](O)CN1c1ccc(CO)c(Cl)c1 2225520098 SSOAKAQNZMUILP-AGIUHOORSA-N 287.743 0.389 10 10 CCCE COC[C@@H]1[C@@H](O)[C@H](O)CN1c1ccc(CN)c(Cl)c1 2225700996 NYMQDOYPEUQTRS-JHJVBQTASA-N 286.759 0.356 10 10 CCCE CNCc1cc(OC)ccc1N1CCS(=O)(=O)CC1 2227679086 DVICEBNXQQJZRH-UHFFFAOYSA-N 284.381 0.649 10 10 CCCE O=C(O)CN(C(=O)c1cc(O)nc(O)c1)C1CCC1 2272407733 KBJKJVBNIYBGGQ-UHFFFAOYSA-N 266.253 0.572 10 10 CCCE C[C@H](O)c1ccc(N2CC3(CNC(=O)CO3)C2)cc1 2273939798 BLJINKZCTMUAPY-JTQLQIEISA-N 262.309 0.445 10 10 CCCE Cc1cc(N2CCOC[C@@H]2[C@H](O)CO)ccc1[C@@H](C)N 2285129964 DPNGMYLDRDKDDS-KCPJHIHWSA-N 280.368 0.573 10 10 CCCE CC(C)[C@]1(NCc2ccc(O)c(O)c2O)CCNC1=O 2296483069 VVPKHIVIHLSTDG-CQSZACIVSA-N 280.324 0.808 10 10 CCCE C[C@@H](O)c1ccc(N2C[C@H](O)[C@@H](O)[C@H](CO)C2)c(F)c1 2289357281 FQPTTXMZXSTNNM-WNIABHAQSA-N 285.315 0.029 10 10 CCCE COc1cc(OC)c(N2C[C@H](O)C[C@@H]2CO)cc1OC 2289334937 ZZMJQMICOGMBHV-NXEZZACHSA-N 283.324 0.644 10 10 CCCE Cc1cccc(CN2C[C@@H]3[C@H](C2)CS3(=O)=O)c1O 2314965728 VPUXPTIQKHPLKH-VXGBXAGGSA-N 267.350 0.929 10 10 CCCE COc1cc(OC)c(N2CCO[C@@H](CN)C2)cc1OC 84682491 NQUXGMFYUXJARO-JTQLQIEISA-N 282.340 0.876 10 10 CCCE Nc1ccc(CC(=O)N[C@H]2C[C@@H](CO)[C@@H]3C[C@H]23)cc1 2329873857 VLQCJPXOOAZTHS-PYJNHQTQSA-N 260.337 0.944 10 10 CCCE COc1ccc(N2C[C@@H]3C[C@H](O)[C@H](O)[C@@H]2C3)c(N)c1 2330371784 YEUMGNJYTSSYEO-PWURMNTRSA-N 264.325 0.598 10 10 CCCE CN1CCc2cc([C@@H](C(N)=O)N3CCCNCC3)ccc21 50287563 DSMLTMHGNCQKQT-HNNXBMFYSA-N 288.395 0.501 10 10 CCCE O=C1CN(Cc2cc([N+](=O)[O-])ccc2O)CCN1 170905579 OPBVCVPZJKMEIB-UHFFFAOYSA-N 251.242 0.232 10 10 CCCE C[C@H](N[C@H]1CC(=O)N(C)C1)c1c(O)cccc1O 311089256 YIZGCQUZJOIVKO-IUCAKERBSA-N 250.298 0.979 10 10 CCCE CN(CCO)CCCC(=O)Nc1ccc(N)cc1 37899105 RVTXFVUKBOHOOB-UHFFFAOYSA-N 251.330 0.912 10 10 CCCE C[C@@H]1CCNC[C@@H]1NC(=O)c1cccc(O)c1O 126112446 FDADUWNXTHCWLV-SCZZXKLOSA-N 250.298 0.826 10 10 CCCE CN(C(=O)CN1C[C@H]2[C@H](O)CC[C@H]2C1)c1ccc(N)cc1 228015541 GABKYUPNXCVQIL-NILFDRSVSA-N 289.379 0.934 10 10 CCCE C[C@H]1OCC[C@@H]1NC(=O)COc1ccc(N)cc1 149097468 JXCYMGLMZGTGMV-SKDRFNHKSA-N 250.298 0.941 10 10 CCCE CNC1(C(N)=O)CN(c2ccc3c(c2)OC(F)(F)O3)C1 2165754418 KTLLXNPOMHJSGK-UHFFFAOYSA-N 285.250 0.272 10 10 CCCE CC(=O)C(=O)COC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 808495426 PUUNQBNMKDLBHG-UFBFGSQYSA-N 285.321 0.142 10 10 CCCE O=C1NCCC[C@@H]1NCc1cc([N+](=O)[O-])ccc1O 295096262 SCVVPAXJPPBLDW-JTQLQIEISA-N 265.269 0.669 10 10 CCCE COCCOc1ncccc1C(=O)OCC(=O)C(C)=O 808508193 VMHBRZZAKHJEQJ-UHFFFAOYSA-N 281.264 0.422 10 10 CCCE Nc1ccc(OC[C@H](O)C[S@](=O)C2CCOCC2)cc1 722440568 FXHDDPVURMWNNF-YUNKPMOVSA-N 299.392 0.936 10 10 CCCE NC[C@H]1CCC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2132399594 GVUSYCMRCDZKPB-APPZFPTMSA-N 266.297 0.661 10 10 CCCE O=C(CCOC1CNC1)NCc1ccccc1O 828016275 YFCICWAARXOJHL-UHFFFAOYSA-N 250.298 0.387 10 10 CCCE CN(C)C(=O)C1(C(=O)NCc2ccc(O)cc2O)CC1 910947566 HAZCYHDJBLAXIM-UHFFFAOYSA-N 278.308 0.582 10 10 CCCE CCS(=O)(=O)NCC(=O)NCc1c(O)cccc1F 928705335 JQUQNJPGHZGMEQ-UHFFFAOYSA-N 290.316 0.087 10 10 CCCE COC(=O)c1cc(OCC(N)=O)ccc1N(C)C 865396046 IAIWECWUQCMTSH-UHFFFAOYSA-N 252.270 0.403 10 10 CCCE CCO[C@@H]1C[C@H](N)[C@@H]1Nc1c(N)cccc1C(N)=O 1876458837 HYEWTYVJTXGFNX-UMNHJUIQSA-N 264.329 0.284 10 10 CCCE O=C(NC[C@@]1(CO)CCCO1)c1cccc(O)c1O 1879594383 BJUPRGXDCRRGPZ-CYBMUJFWSA-N 267.281 0.369 10 10 CCCE OC[C@@H](C[C@@H]1CCOC1)NCc1cccc(O)c1O 1883201674 KFSWMLCCRBWLTM-CMPLNLGQSA-N 267.325 0.975 10 10 CCCE C[C@H](O)C[C@@H](C)NC(=O)Cc1ccc(O)c(O)c1 1597435906 TYTUBSIJMALEAZ-BDAKNGLRSA-N 253.298 0.916 10 10 CCCE NCCCc1nnc(-c2ccc(O)c(O)c2O)o1 83384271 CAERKEYICZAGEQ-UHFFFAOYSA-N 251.242 0.745 10 10 CCCE CC(C)[C@H](N)C(=O)NCc1cc([N+](=O)[O-])ccc1O 83494592 KUVMRFUKXKFODC-NSHDSACASA-N 267.285 0.900 10 10 CCCE CCCS(=O)(=O)N[C@H](C)C(=O)NCCCCN=[N+]=[N-] 706104139 WCEAALRSWVDKRU-SECBINFHSA-N 291.377 0.911 10 10 CCCE C[C@H]1CN(C(=O)c2cc(O)nc(O)c2)C[C@H]1CN 708874350 HKXPPUDQXJDRDT-IONNQARKSA-N 251.286 0.160 10 10 CCCE CN(C)C[C@H](CO)NC(=O)CCc1ccc(N)cc1 716702781 BPYZHNCSGWXWSR-CYBMUJFWSA-N 265.357 0.240 10 10 CCCE COC[C@H](COC(=O)c1cccc(O)c1O)OC 1333215181 BKKQTQLWNASMDA-MRVPVSSYSA-N 256.254 0.916 10 10 CCCE CN[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H](C)C1 2115367139 SFHUAXVQSNGZKE-PSASIEDQSA-N 265.313 0.705 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CCC2(CC(O)C2)C1 2117406844 PYQAVLQANLQHRT-UHFFFAOYSA-N 264.281 0.480 10 10 CCCE CN(C)c1ccc([C@@H](C(=O)O)N(C)CC(=O)O)cc1 212234505 MUCNZVFDEVLZAS-LBPRGKRZSA-N 266.297 0.895 10 10 CCCE 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C[C@@H](Oc1ccc(N)cc1)C(=O)NN1CCN(C)CC1 1860081892 HASSNUFQKBHZCS-LLVKDONJSA-N 278.356 0.315 10 10 CCCE C[C@@H]1Cc2cc(N3C[C@@H](O)CC34CNC4)ccc2O1 2130063326 OOXKCERZDGOKBO-MFKMUULPSA-N 260.337 0.923 10 10 CCCE COC[C@H](C)S(=O)(=O)N1CC[C@H](CN=[N+]=[N-])C1 1912189747 YGKQKIZFDMYQDV-DTWKUNHWSA-N 262.335 0.983 10 10 CCCE [N-]=[N+]=NC1CCN(CC(=O)NC(=O)NC2CC2)CC1 1912171232 ICUMZDVXEUHHBI-UHFFFAOYSA-N 266.305 0.749 10 10 CCCE CC(C)(C)NC(=O)CNC(=O)COc1ccc(N)cc1 110400573 LGYBIPDTISMODA-UHFFFAOYSA-N 279.340 0.679 10 10 CCCE CN1C[C@H](NC(=O)c2ccc(O)c(O)c2)CCC1=O 226997898 RTBYLLSAOGHMFP-SECBINFHSA-N 264.281 0.448 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@@H](O)CC3(CC3)C2)cc1 1926440661 TVYLKMQYCPJLHQ-ZDUSSCGKSA-N 296.392 0.945 10 10 CCCE CNC(=O)[C@H]1CNCCN1Cc1ccc(C)cc1O 2139771682 DDKPNQLCZKWKRJ-GFCCVEGCSA-N 263.341 0.220 10 10 CCCE CN1CCO[C@H](CNCc2ccc(O)c(O)c2O)C1 234322852 WIKRVSBTLQJCMT-SNVBAGLBSA-N 268.313 0.224 10 10 CCCE C[C@@H](CN)N1CCN(C(=O)c2ccc(O)c(O)c2)CC1 235117981 OWJMVRSGXAPQLX-JTQLQIEISA-N 279.340 0.203 10 10 CCCE C[C@@H](N[C@@H]1CCC(=O)N(C)C1=O)c1c(O)cccc1O 235211422 SWCAZKLTXKWCKK-RKDXNWHRSA-N 278.308 0.896 10 10 CCCE Nc1ccc(CC(=O)NC[C@H]2CCS2(=O)=O)cc1 1972336843 DZIYEDSZQYSUFH-LLVKDONJSA-N 268.338 0.115 10 10 CCCE CO[C@@H](CCO)CNCc1cc2c(cc1O)OCO2 1972506166 NGISWEJQDHVYCO-JTQLQIEISA-N 269.297 0.608 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CCCCC12CNC2 2149899785 CVIICWDFKQWRLT-UHFFFAOYSA-N 276.336 0.995 10 10 CCCE Cn1cc(C(=O)NCCc2ccc(O)c(O)c2)c(=N)[nH]1 2147993268 GZSDFDGRDMQWPV-UHFFFAOYSA-N 276.296 0.216 10 10 CCCE Nc1cncc(C(=O)NCCc2ccc(O)c(O)c2)n1 2148005734 VSOJMWTXTRSKMT-UHFFFAOYSA-N 274.280 0.443 10 10 CCCE CC1(C)CN(c2cc3c(cc2N)OCC(=O)N3)[C@@H]1CO 2148970605 VOUGGHPEJDSNCC-GFCCVEGCSA-N 277.324 0.807 10 10 CCCE Nc1cccc(Cl)c1N[C@H]1CS(=O)(=O)C[C@@H]1O 2008560780 MELZNYJCJCYJKK-IUCAKERBSA-N 276.745 0.492 10 10 CCCE Cc1cc(N2CCOC[C@@H]2C(=O)N(C)C)ccc1CN 2155017707 VUUJQPQCRIVYKI-CQSZACIVSA-N 277.368 0.747 10 10 CCCE COCCNCc1ccc(OC[C@H]2CC(=O)N2)c(C)c1 2155015725 WDFZIBRRDIDGNI-CYBMUJFWSA-N 278.352 0.998 10 10 CCCE CN1CC[C@@H]([C@H](O)Cc2ccc(N)cc2)S1(=O)=O 2029063781 UXFREPPACQKDOC-NEPJUHHUSA-N 270.354 0.206 10 10 CCCE COCCNCc1ccc(N2CCS(=O)(=O)CC2)cc1 62736132 RGZMICHFKDTWHI-UHFFFAOYSA-N 298.408 0.657 10 10 CCCE Nc1ccc(CC(=O)NCCNS(=O)(=O)C2CC2)cc1 2158552149 UDNINMQNZWOLHO-UHFFFAOYSA-N 297.380 0.009 10 10 CCCE C[C@H](c1cc(F)ccc1O)N1CCNC[C@H]1C(=O)O 251790501 VSZSEHYVSCIUTQ-KCJUWKMLSA-N 268.288 0.951 10 10 CCCE NC[C@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1 2159217585 PPRJISAQROLQJB-UIKWRGBMSA-N 277.324 0.835 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)[C@@H]2C[C@H]3CNC[C@H]2C3)C1 2049780317 IFUYEQGWYMNTIV-HHHUOAJASA-N 250.342 0.498 10 10 CCCE C[C@@H](N)c1ccc(N2CC[C@H](NS(C)(=O)=O)C2)cc1 703140408 XIVAVXOVGQTGKZ-PWSUYJOCSA-N 283.397 0.834 10 10 CCCE CN(CC(C)(CO)CO)c1ccc2c(c1)NC(=O)[C@@H]2N 689680037 TZNLEFKVUFJELJ-GFCCVEGCSA-N 279.340 0.066 10 10 CCCE Nc1ccc(OCC(=O)OC2CCS(=O)(=O)CC2)cc1 689759378 ABEKOFANDAEUKJ-UHFFFAOYSA-N 299.348 0.768 10 10 CCCE CCN[C@@H](C)CCNC(=O)c1cc(O)nc(O)c1 721629910 DQVOVPCBENTWOZ-QMMMGPOBSA-N 253.302 0.611 10 10 CCCE NC(=O)c1cccc(N)c1N[C@@H]1CCCS(=O)(=O)CC1 694192695 FJDVRMTYKCZHNX-SECBINFHSA-N 297.380 0.747 10 10 CCCE CC1(C)CNC[C@H]1NC(=O)c1cc(O)nc(O)c1 721866066 MLPVELMZKASLLQ-MRVPVSSYSA-N 251.286 0.221 10 10 CCCE Nc1ccc(NC(=O)NCCCc2nn[nH]n2)cc1 392458957 HXKNNGYYYIEQCW-UHFFFAOYSA-N 261.289 0.536 10 10 CCCE Nc1ccc(OC[C@@H](O)CN2CCOC[C@H]2CF)cc1 2182604950 JNODQMVHQMAYIV-OLZOCXBDSA-N 284.331 0.679 10 10 CCCE CN(C(=O)CN1CCO[C@@H](CF)C1)c1ccc(N)cc1 2172039303 AJYFAEHIRLOQFW-ZDUSSCGKSA-N 281.331 0.902 10 10 CCCE O=C1Nc2cc(N3CCC3(CO)CO)c(Cl)cc2[C@@H]1O 2194351129 CKYZWORWDWPMMH-NSHDSACASA-N 298.726 0.259 10 10 CCCE CN[C@H]1CCc2cc(N3CCOC[C@H]3C(N)=O)ccc21 2184728076 ZSPAKASGTYQKKZ-KBPBESRZSA-N 275.352 0.584 10 10 CCCE NC(=O)[C@]1(O)CCCN(c2ccc3c(c2)CC[C@@H]3N)C1 2184740686 XYWGZTGCHGMEQQ-ZFWWWQNUSA-N 275.352 0.449 10 10 CCCE COC(=O)[C@H](CN)NCc1ccc2c(c1)CCO2 2042401102 GOIPSGDEOAPZFB-NSHDSACASA-N 250.298 0.211 10 10 CCCE C[C@H]([C@H](NN)c1ccc(N(C)C)cc1)S(C)(=O)=O 2044733009 GZKQNZACLAMDRL-SKDRFNHKSA-N 271.386 0.690 10 10 CCCE CN([C@]1(CN)CCOC1)S(=O)(=O)Cc1ccc(N)cc1 2191535429 IQAUIOISFUEARL-ZDUSSCGKSA-N 299.396 0.148 10 10 CCCE C[C@@H]1C[C@H]1N(CCO)C(=O)c1cc(O)nc(O)c1 2048247008 CLVJLNIKBARIRH-VXNVDRBHSA-N 252.270 0.336 10 10 CCCE C[C@@H]1COCC(=O)N1CCOc1ccc(N)cc1 2053817704 QLGHBFTURWSZJT-SNVBAGLBSA-N 250.298 0.895 10 10 CCCE CS(=O)(=O)C1CN(c2ccc3c(c2)CC[C@H]3N)C1 2065064633 BSMXJKNFRBDFLV-CYBMUJFWSA-N 266.366 0.866 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CC([C@@H]2CCNC2)C1 2196645481 JOAVXRUBOBTULP-MRVPVSSYSA-N 278.308 0.485 10 10 CCCE O=[N+]([O-])c1cc(N2C[C@H]3COC[C@@H]32)ccc1CO 2068304110 PELOEQZJEPZBQG-CABZTGNLSA-N 250.254 0.922 10 10 CCCE O=[N+]([O-])c1cc(N2CCOC[C@@H](CO)C2)ccc1CO 2188571510 GMPBJKCNMAPZRC-SNVBAGLBSA-N 282.296 0.532 10 10 CCCE C[C@@H]1C[C@H]2CNC[C@@H]2N1C(=O)c1cc(O)c(O)c(O)c1 2188920006 RKHRYAIBSMUXMB-JEZHCXPESA-N 278.308 0.626 10 10 CCCE C[C@H]1CNC[C@H](C)N(C(=O)c2cc(O)nc(O)c2)C1 2102883906 JQGNOODPEVAAKY-IUCAKERBSA-N 265.313 0.563 10 10 CCCE [N-]=[N+]=NCCN[C@@]1(C(=O)O)C[C@@H]2CS(=O)(=O)C[C@@H]2C1 2104838535 TZTREVRMLAUABG-MBTKJCJQSA-N 288.329 0.164 10 10 CCCE C[C@@H](N[C@H](C(=O)O)C1COC1)c1ccc(O)cc1O 2104900608 OHQKYKDYUVEJQO-KRTXAFLBSA-N 267.281 0.848 10 10 CCCE O=C(O)[C@@H]1[C@H]2CN(C(=O)c3cccc(O)c3O)C[C@H]21 2087314618 FRESEJORLYZCHM-MBTKJCJQSA-N 263.249 0.500 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N=S1(=O)CCNCC1 2087727464 RHAMGMMNCUKOEF-UHFFFAOYSA-N 284.337 0.238 10 10 CCCE CN(CCN(C)S(C)(=O)=O)Cc1cccc(F)c1O 2090808403 GZQQZHHGZQILMG-UHFFFAOYSA-N 290.360 0.855 10 10 CCCE COc1ccc(O)c([C@@H](C)N[C@@H]2CC(=O)NC2=O)c1 2096084532 RZAWOLPUYZVCKT-GMSGAONNSA-N 264.281 0.467 10 10 CCCE COc1cc(N2C[C@H](O)C[C@@H]2CN(C)C)ccc1CO 2204544326 ZVRGJHCXLRWEDA-ZIAGYGMSSA-N 280.368 0.689 10 10 CCCE CNCc1ccc(N2C[C@H](O)[C@@H]3COC[C@@H]32)cc1OC 2204549763 PBIVWCQDEOSXBM-RDBSUJKOSA-N 278.352 0.611 10 10 CCCE COc1cc(N2[C@H](CO)C[C@H]3OCC[C@H]32)ccc1CN 2204538154 IDTQWDNMXROEAF-GZBFAFLISA-N 278.352 0.882 10 10 CCCE Cc1cccc(CNC(=O)CN2CCC[C@H](N)C2)c1O 2204604295 GNXWKDJQPRKUCU-ZDUSSCGKSA-N 277.368 0.740 10 10 CCCE OC[C@H]1CN(c2ccc3c(c2)OC(F)(F)O3)C[C@@H]1O 2226705985 KKKYLXLFGRLUFA-APPZFPTMSA-N 273.235 0.798 10 10 CCCE CC(=O)C(=O)[C@](O)(CF)CNC(=O)OC(C)(C)C 2241260290 PERJJMKSIBHJQV-NSHDSACASA-N 263.265 0.370 10 10 CCCE CNCc1ccc(N2CC(O)(CCO)C2)c(C)c1 2258301816 MTXNVZXDRVJYBV-UHFFFAOYSA-N 250.342 0.648 10 10 CCCE O=[N+]([O-])c1cc(CO)ccc1N1CC(O)(CCO)C1 2270654842 AYSSBPPWRYBQQO-UHFFFAOYSA-N 268.269 0.021 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1C[C@H]2OCC[C@]2(CO)C1 2296360957 ONGSBDPLGGOTAS-TZMCWYRMSA-N 279.292 0.321 10 10 CCCE COc1cc(OC)c(N2CCO[C@H](CO)C2)cc1OC 2289337258 VBBHYCPUYDOUIW-JTQLQIEISA-N 283.324 0.910 10 10 CCCE COC1CN(CCNCc2ccc(O)cc2O)C1 2317709381 HWXGNSBKZVWDIB-UHFFFAOYSA-N 252.314 0.518 10 10 CCCE Nc1ccc(CC(=O)N[C@H]2C[C@H]3CNC[C@@H]2C3)cc1 2332130186 QMEPPJJBWREVBN-OBJOEFQTSA-N 259.353 0.926 10 10 CCCE C[C@H](N)c1ccc(N2C[C@@H]3C[C@H]2[C@@H](O)[C@H](O)C3)cc1O 2355336976 XEBONLPBMDZBOY-JRIPDTHKSA-N 278.352 0.732 10 10 CCCE CCOCCC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 53732819 QYCLKJOTWATZJZ-SNVBAGLBSA-N 297.307 0.636 10 10 CCCE O=C(N[C@@H](CC(F)F)C(=O)O)c1cc(O)nc(O)c1 311428138 GMEPBZOVMSOLQE-YFKPBYRVSA-N 276.195 0.331 10 10 CCCE Cc1ccc(C(=O)NC[C@@H]2CN(C)CCO2)c(O)c1O 179463464 GSDREEOJKBUREC-SNVBAGLBSA-N 280.324 0.467 10 10 CCCE C[C@@H](CCNC(=O)c1cc(O)nc(O)c1)C(=O)O 129065408 KDSIJYMLNMJMBF-LURJTMIESA-N 254.242 0.333 10 10 CCCE CN1CCC[C@@H](NC(=O)c2cccc(O)c2O)C1 126277430 GOEGJLKNDOSPBH-SECBINFHSA-N 250.298 0.922 10 10 CCCE COCCNS(=O)(=O)Nc1ccc(O)c(C)c1 128814328 XTWSOEXQXFASOE-UHFFFAOYSA-N 260.315 0.593 10 10 CCCE Nc1cccc(C(=O)O)c1N[C@H]1CCCS(=O)(=O)C1 130385762 SLLFQWBVKXNSIC-QMMMGPOBSA-N 284.337 0.956 10 10 CCCE COc1ccc(O)c(CN2CCN(CCC(=O)O)CC2)c1 86730610 QSSUYKBRTISBKO-UHFFFAOYSA-N 294.351 0.993 10 10 CCCE Nc1ccc(OCCC(=O)N2CCN(CCO)CC2)cc1 40303483 DRVTZJJMPPYMLI-UHFFFAOYSA-N 293.367 0.174 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCC[C@@H]1CCCO1 40469098 FRGFNCIIBPXXEK-RYUDHWBXSA-N 294.351 0.653 10 10 CCCE CNC(=O)[C@H]1CNCCN1c1ccc(OC)cc1[N+](=O)[O-] 89088006 YZINDSBVOYMWFS-GFCCVEGCSA-N 294.311 0.128 10 10 CCCE CNC(=O)[C@@H]1CNCCN1c1ccc(OC)cc1[N+](=O)[O-] 89088005 YZINDSBVOYMWFS-LBPRGKRZSA-N 294.311 0.128 10 10 CCCE COc1ccc2c(c1)[C@](O)(CN1CCNCC1)CN2C 527411321 OLGQYWXMILKMHP-OAHLLOKOSA-N 277.368 0.238 10 10 CCCE CC(=O)C(=O)COC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 808534029 FJFXKRMBSOGRAV-UHFFFAOYSA-N 295.203 0.638 10 10 CCCE C[C@H](CN(C)C(=O)c1cc(O)c(O)c(O)c1)C(=O)O 2132348036 CIXGZYKSAPYXAY-ZCFIWIBFSA-N 269.253 0.596 10 10 CCCE C[C@@H]1OCC[C@H]1CNC(=O)c1cc(O)c(O)c(O)c1 2132351666 ZBDYGCRXSYNCKJ-YUMQZZPRSA-N 267.281 0.958 10 10 CCCE NC[C@H]1C[C@H](F)CN1C(=O)c1cc(O)c(O)c(O)c1 2132413836 QQPYKGJWPGNPIZ-JGVFFNPUSA-N 270.260 0.315 10 10 CCCE CN1CC[C@H](NC(=O)C(=O)Nc2ccc(N)cc2)C1 906784536 CJHJBLDXUYOCGU-NSHDSACASA-N 262.313 0.028 10 10 CCCE O=C(NCc1c(O)cccc1F)[C@]1(O)CCOC1 928705718 LLXSNYHNVIFSNU-LBPRGKRZSA-N 255.245 0.299 10 10 CCCE O=C(NCc1ccccc1O)[C@H](O)C1CCOCC1 769363556 UEMNTCFBFCTZQL-CYBMUJFWSA-N 265.309 0.796 10 10 CCCE Nc1ccc(NC(=O)NC[C@@]23CN[C@@H](CO2)C3)cc1 1876170986 FHNCQBDGDAFEST-DGCLKSJQSA-N 262.313 0.521 10 10 CCCE CN(C[C@H]1CCNC1)S(=O)(=O)Cc1ccc(N)cc1 1876174955 VUFRMSMYZJIMEF-LBPRGKRZSA-N 283.397 0.640 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@H]2CCN[C@H]3C[C@@H]32)cc1 1876416103 RFZXTRPDBZHAAT-UPJWGTAASA-N 281.381 0.439 10 10 CCCE CCO[C@@H]1C[C@@H](N)[C@H]1Nc1c(N)cccc1C(N)=O 1876458834 HYEWTYVJTXGFNX-CKYFFXLPSA-N 264.329 0.284 10 10 CCCE NC(=O)CC1CC(NC(=O)c2c(F)ccc(O)c2O)C1 1306894512 MNGZWONEEQIGBI-UHFFFAOYSA-N 282.271 0.621 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CCn2ccnc21 1170249185 OCQGBLASTJPFJL-UHFFFAOYSA-N 259.265 0.884 10 10 CCCE COc1ccc(CN[C@H](C)C(=O)N(C)C)c(O)c1 40906175 SXYYWWNQMODKOV-SECBINFHSA-N 252.314 0.967 10 10 CCCE C[C@@H](C(N)=O)N(C)CCC(=O)Nc1ccc(N)cc1 711090486 RVFZHQOPYDSFDH-VIFPVBQESA-N 264.329 0.403 10 10 CCCE Cc1cc(N(C)Cc2nnn(C)n2)ccc1CCN 1893030015 OSVVHFPAVKEXJF-UHFFFAOYSA-N 260.345 0.656 10 10 CCCE C[C@@H]1CC[C@@H](NC(=O)c2cc(O)nc(O)c2)CN1 690843869 RZHGNKOGHYOROO-VXNVDRBHSA-N 251.286 0.363 10 10 CCCE Cc1ccc(CNCc2nnc3c(=O)n(C)ccn23)c(O)c1 1338289441 QFLSHWINLGVZOI-UHFFFAOYSA-N 299.334 0.732 10 10 CCCE COc1ccc(N(C)C[C@H]2Cn3cnnc3CN2)cc1 694787480 JDIGCMMLBWRUER-NSHDSACASA-N 273.340 0.895 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CCOC[C@]12CCOC2 1296960802 GXQRLQAIGBIGGA-OAHLLOKOSA-N 293.319 0.658 10 10 CCCE COCn1ccc(C(=O)NCc2cc(O)ccc2O)n1 1455356331 YERKYDFMKAXTJL-UHFFFAOYSA-N 277.280 0.828 10 10 CCCE N=c1[nH]c(=NCCOc2ccc(N)cc2)[nH]cc1F 2117200857 YDGBIADPIAHAGE-UHFFFAOYSA-N 263.276 0.523 10 10 CCCE Oc1ccc(F)cc1CN[C@@]12CC[C@@H](C1)[C@H](O)[C@H]2O 2120393111 AGMWFSCJSJWCNT-IOEYQFCTSA-N 267.300 0.895 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NCCCC(=O)NC1CC1 1546254731 RTZOSDBKNBJGTD-UHFFFAOYSA-N 292.335 0.815 10 10 CCCE CN(C)c1ccc([C@@H](NCCCO)C(=O)O)cc1 211860168 GJBWACCQTWJQOV-GFCCVEGCSA-N 252.314 0.850 10 10 CCCE COc1ccc(N2CCCN[C@@H](CO)C2)cc1OC 217179648 NYSJUUBKGBXILH-LLVKDONJSA-N 266.341 0.864 10 10 CCCE C[C@H]1C(=O)NCCN1CC(=O)Nc1ccc(N)cc1 104130509 UXDSGHZCNHBCAW-VIFPVBQESA-N 262.313 0.028 10 10 CCCE CCNC[C@H](O)CNC(=O)c1ccc(N=NC(N)=O)cc1 1497122275 QZSJQUGRWNTJNT-NSHDSACASA-N 293.327 0.549 10 10 CCCE OCc1ccc(N2C[C@@H](O)C[C@H](O)C2)c(Cl)c1 1908641404 HWSFCELELIIWNR-UWVGGRQHSA-N 257.717 0.764 10 10 CCCE NCc1cc(F)c(N2CCC[C@@H]2[C@H](O)CO)c(F)c1 2123236150 AZFYBUKGPJPSTO-VXGBXAGGSA-N 272.295 0.746 10 10 CCCE C[C@H]1CC(=O)NN1CC(=O)NCc1ccc(N(C)C)cc1 1643348036 COIBEMRCACDIEZ-NSHDSACASA-N 290.367 0.494 10 10 CCCE NCc1ccc(N2C[C@@H]3C[C@H](C2)[C@H](O)[C@H]3O)c(F)c1 2126160936 FAWKCLYSJDDVIO-DJBIQUGXSA-N 266.316 0.462 10 10 CCCE CN(c1ccc2c(c1)CC[C@@H]2N)[C@H]1CC(=O)NC1=O 2128328951 VBSRCJMKCDHBFX-RYUDHWBXSA-N 259.309 0.484 10 10 CCCE CN1NC(=O)[C@H](CC(=O)Nc2c(F)cccc2F)C1=O 169996397 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CCOC(=O)[C@@H](N)C1(c2ccc(O)c(O)c2O)CC1 1952600450 FWBQOXBWXVMDIZ-LLVKDONJSA-N 267.281 0.725 10 10 CCCE COC(=O)C[C@H](N)c1c(O)c(F)cc2c1OCCO2 260644991 KEXHKUWPHHDZEF-ZETCQYMHSA-N 271.244 0.865 10 10 CCCE NCc1ccc(N2C[C@@H](O)C[C@@H](O)C2)cc1Cl 1998338639 WIQBXISCKDWOJA-PHIMTYICSA-N 256.733 0.731 10 10 CCCE COc1ccc(N2CCO[C@@H](C(=O)O)C2)c([N+](=O)[O-])c1 43703320 MIIDWAISFKQPJN-LLVKDONJSA-N 282.252 0.893 10 10 CCCE CN1CCO[C@@H]2CN(C(=O)Nc3ccc(N)cc3)C[C@@H]21 2153998451 UNVJKJZCXPMHMU-QWHCGFSZSA-N 276.340 0.816 10 10 CCCE [N-]=[N+]=NCCCN[C@]1(C(N)=O)CCCO[C@@]12CCOC2 2155116735 SWCBJJZPOZHPOS-NEPJUHHUSA-N 283.332 0.470 10 10 CCCE CS(=O)(=O)CNC(=O)N1CCC(N=[N+]=[N-])CC1 2024078712 CGGUJMOVAYWTCY-UHFFFAOYSA-N 261.307 0.473 10 10 CCCE Cc1cccc(CNC(=O)[C@H]2CSCN2)c1O 2024804931 MVACAHJCUIAJKD-SNVBAGLBSA-N 252.339 0.979 10 10 CCCE NC[C@H](CNC(=O)c1cccc(O)c1O)C1CC1 2029478687 KETLMEWAVWJVTN-SECBINFHSA-N 250.298 0.813 10 10 CCCE NCc1ccc(N2CCCC2(CO)CO)cc1F 2029414250 MQTLNXCYZMZIRW-UHFFFAOYSA-N 254.305 0.608 10 10 CCCE COc1ccc(CN[C@@H]2COC[C@H]2CO)c(O)c1 2029844325 MDUNIBOOFLQPOI-ZYHUDNBSSA-N 253.298 0.498 10 10 CCCE C[C@H](CO)S(=O)(=O)NCc1ccc(N(C)C)cc1 2040047358 MJGZDAGREVDLQH-SNVBAGLBSA-N 272.370 0.553 10 10 CCCE COc1ccc(N2C[C@H]3C[C@H]2[C@@H](O)[C@@H]3O)c([N+](=O)[O-])c1 2160704700 SGYFTYNQUXANDZ-SZOBPAOMSA-N 280.280 0.534 10 10 CCCE Cc1cn(CC(=O)Nc2ccc(N)cc2)c(=O)[nH]c1=O 88452552 LMULVBSVHSKZIX-UHFFFAOYSA-N 274.280 0.066 10 10 CCCE Oc1cccc(CNCCCCc2nn[nH]n2)c1O 708182893 ULNOZVKVRZSEDP-UHFFFAOYSA-N 263.301 0.723 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CCC[C@H](O)CC2)cc1 378671880 KSOXQSBMBWZOGE-ZDUSSCGKSA-N 284.381 0.945 10 10 CCCE Oc1ccc(CN[C@@H]2COCC[C@@H]2O)c(O)c1O 710882205 CKEBLOPSZAESRY-BDAKNGLRSA-N 255.270 0.043 10 10 CCCE C[C@H](N[C@H]1COCC[C@@H]1O)c1c(O)cccc1O 710892773 XPPKVJKYVSJCSQ-GUBZILKMSA-N 253.298 0.898 10 10 CCCE CN(C)CC1CN(C[C@H](O)COc2ccc(N)cc2)C1 382573053 NETQOQVOBHYROJ-AWEZNQCLSA-N 279.384 0.502 10 10 CCCE COc1ccc(CNC[C@H](O)CN(C)C)c(O)c1 717358398 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0.650 10 10 CCCE CN=c1nc(Cl)[nH]c(=NCc2ccc(N)cc2)[nH]1 2053609869 YKLAVICVSZVXSN-UHFFFAOYSA-N 264.720 0.605 10 10 CCCE O=S1(=O)C[C@H]2C(NCc3cccc(F)c3O)[C@@H]2C1 2054275886 PTTHTICCWCOSTN-RKDXNWHRSA-N 271.313 0.664 10 10 CCCE CC[C@@H](CN)CNC(=O)c1cc(O)c(O)c(O)c1 2068614623 HJAJLBIYWVGPIC-ZETCQYMHSA-N 254.286 0.518 10 10 CCCE CNC[C@@H](C)N(C)C(=O)c1cc(O)c(O)c(O)c1 2068624205 NGSRFLKKEXQKLZ-SSDOTTSWSA-N 254.286 0.483 10 10 CCCE C[C@H]1OCCN(Cc2ccc(N)cc2)[C@H]1C(=O)O 2076888044 ZQGCLVSTPBXPTE-BXKDBHETSA-N 250.298 0.943 10 10 CCCE Nc1ccc(CN2CC[C@H](O)C[C@H]2C(=O)O)cc1 2076913044 BKNAZXUCLOMJAB-RYUDHWBXSA-N 250.298 0.679 10 10 CCCE CC(=O)c1cc(F)cc(CN2CC[C@H]2C(N)=O)c1O 2089367388 YKXDLMMICDIGCN-NSHDSACASA-N 266.272 0.794 10 10 CCCE COc1cc(N2CC[C@]3(C[C@@H](O)CO3)C2)ccc1CO 2204553674 HTFBPXNUTPXLQK-HIFRSBDPSA-N 279.336 0.918 10 10 CCCE COCCNC[C@H](C)NCCc1ccc(O)c(O)c1 2232031652 SLULPSRICVGZQU-NSHDSACASA-N 268.357 0.854 10 10 CCCE CN1CCc2cc(N3C[C@@H]4CN[C@H](CO)[C@@H]4C3)ccc21 2235573388 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COc1ccc(N2C[C@@H]3OC[C@@H](CO)O[C@H]3C2)c(N)c1 2279881413 LFVMTJCDYLAAQE-SWHYSGLUSA-N 280.324 0.242 10 10 CCCE COc1cc(C)c(N2C[C@H](N)C[C@@H](C(N)=O)C2)c(C)c1 2285050489 XNYFMRQRZKXUMX-VXGBXAGGSA-N 277.368 0.951 10 10 CCCE Cc1ccc(CN2C[C@@H]3CS(=O)(=O)[C@H]3C2)c(O)c1 2314957463 YXYUPPLNKPHWJS-YPMHNXCESA-N 267.350 0.929 10 10 CCCE COCc1nc(NN(C)S(C)(=O)=O)sc1C(=O)O 2317497193 VJBMSJLMQNNRLN-UHFFFAOYSA-N 295.342 0.206 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCN[C@@H]2C[C@H]12 2330841671 UAMOZNITJBNDKQ-OUAUKWLOSA-N 262.309 0.507 10 10 CCCE N[C@@H]1CCc2cc(N3C[C@@H](O)[C@@H](O)[C@@H]3CF)ccc21 2333236711 VJMCRHNSDIUNCO-RQJABVFESA-N 266.316 0.513 10 10 CCCE Oc1cccc(F)c1CNC[C@@H]1C[C@@H]2C[C@H]1[C@@H](O)[C@H]2O 2355466354 RLTQOUVMILTRRO-WSOUCCKQSA-N 281.327 0.999 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N3C[C@@H](F)[C@H](CO)C3)ccc21 2355616280 AIGSDCSIWBZETQ-RLCGTCKNSA-N 279.315 0.666 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3C[C@H]4[C@@H](O)CC[C@H]4C3)ccc21 123857998 RAWVFWYJHLANMY-WDGYITBISA-N 273.336 0.846 10 10 CCCE CCOc1cccc(CN[C@@H]2CNC(=O)C2)c1O 228956791 PHFDUELBWUBCLV-JTQLQIEISA-N 250.298 0.769 10 10 CCCE CN(c1ccc(CO)c([N+](=O)[O-])c1)[C@H]1COC[C@@H]1O 2132057821 JCBLIJOSCPTDPS-RYUDHWBXSA-N 268.269 0.283 10 10 CCCE COc1cc2c(cc1OC)N(CCN)CCN(C)C2 527432295 ZNBXNNZKULPCOA-UHFFFAOYSA-N 265.357 0.914 10 10 CCCE C[C@@H](C(=O)Nc1ccc(N)cc1)N1CCCC[C@H]1C(N)=O 251536303 HOXGMDXYYHXQJJ-GWCFXTLKSA-N 290.367 0.936 10 10 CCCE O=C(NCCC[C@H]1C=NNC1=O)c1cccc(O)c1O 1148219937 HBFAKVMLJGLMRL-QMMMGPOBSA-N 277.280 0.340 10 10 CCCE CO[C@H]1C[C@@H](CO)N(c2ccc3c(c2)NC(=O)[C@H]3O)C1 2167201822 NIHRQAHDDLLAFS-KWBADKCTSA-N 278.308 0.258 10 10 CCCE CN1CCc2cc([C@H](CCn3cncn3)NN)ccc21 2163136595 VHAGXQWALYULQR-ZDUSSCGKSA-N 272.356 0.865 10 10 CCCE C[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)CC[S@@]1=O 2132391819 CDKYMLHDARQSND-XJZHNMMOSA-N 285.321 0.396 10 10 CCCE CN1C[C@@H](CCNC(=O)c2ccc(O)c(O)c2)CC1=O 723390871 XMJKZJGARYLPFX-VIFPVBQESA-N 278.308 0.696 10 10 CCCE CN1C[C@@H](NC(=O)c2cc(O)cs2)CCC1=O 738548700 LRTUYKWUMOGXKB-ZETCQYMHSA-N 254.311 0.804 10 10 CCCE CO[C@@H](C(=O)O)C(=O)NCc1ccc(N(C)C)c(F)c1 901754381 MDVFOBPEKXKQSL-LLVKDONJSA-N 284.287 0.608 10 10 CCCE CO[C@H](C(=O)NCc1ccc(O)cc1O)[C@H]1CCOC1 910943293 MGRJNRKZKNLNCC-GWCFXTLKSA-N 281.308 0.766 10 10 CCCE COc1ccc(N2CC[C@H](NC(=O)c3nc[nH]n3)C2)cc1 855233120 FCRWHNBTMJOFPU-JTQLQIEISA-N 287.323 0.822 10 10 CCCE NCc1cc(F)c(N2C[C@H](O)C[C@H]2CO)c(F)c1 698183711 VHPYQQWFYLGCNK-DTWKUNHWSA-N 258.268 0.355 10 10 CCCE CN(c1cc2c(cc1N)OCC(=O)N2)[C@H]1CC[C@@H]1N 1876366502 KNTWOGUQAQREHF-XVKPBYJWSA-N 262.313 0.526 10 10 CCCE Nc1ccc(CCC(=O)N2C[C@@H](N)C[C@H](O)C2)cc1 1876437685 LONCFYPZAJYZSH-STQMWFEESA-N 263.341 0.122 10 10 CCCE NC(=O)c1ccc(N)c(OCc2ccc(N)cc2)n1 1905738006 JVDRSEURDGSZFN-UHFFFAOYSA-N 258.281 0.924 10 10 CCCE CC(=O)C(=O)[C@@H](O)[C@H]1CCCN1C(=O)OC(C)(C)C 1881415180 LJHWCYYIXQTWMS-KOLCDFICSA-N 271.313 0.905 10 10 CCCE O=C(CCc1nc[nH]n1)NCc1c(O)cccc1O 1304051162 VNGPUJYUCBSPME-UHFFFAOYSA-N 262.269 0.465 10 10 CCCE N[C@@H](c1nnc(-c2cc[nH]n2)o1)c1ccc(O)cc1O 83536931 GVGWJBVQXUZPPV-SNVBAGLBSA-N 273.252 0.919 10 10 CCCE Cc1c(NC(=O)[C@@H]2CNc3ccccc3N2)nnn1C 701908195 NVAKXQSLXWXGBS-NSHDSACASA-N 272.312 0.968 10 10 CCCE Nc1ccc(OC[C@H](O)CN2CC3CC2(CO)C3)cc1 822172610 RSRNOCDRCGVHPP-GLWUULTISA-N 278.352 0.465 10 10 CCCE Nc1ccc(O)c(CN2CC[C@@H](N3CCOCC3)C2)c1 62977850 LWKXJEBVDTUQGO-CQSZACIVSA-N 277.368 0.881 10 10 CCCE O=C(N[C@H]1CCCC12OCCO2)c1cc(O)nc(O)c1 715996691 NUIUHJMTOQXEIH-VIFPVBQESA-N 280.280 0.518 10 10 CCCE Cc1ccc(O)c2c1[C@H](C)C[C@H]2NC(C(N)=O)C(N)=O 695319420 GPRVSHGHRMSGAS-HTQZYQBOSA-N 277.324 0.178 10 10 CCCE Cn1nnnc1COc1ccc(N2CCNCC2)cc1 697978128 REBGFNCTHNWUGH-UHFFFAOYSA-N 274.328 0.199 10 10 CCCE C[C@@H](NC(=O)CCNC(N)=O)c1ccccc1O 1454799158 SIQQBZOAPBLGGY-MRVPVSSYSA-N 251.286 0.628 10 10 CCCE C[C@H]1C[S@](=O)CCN1c1cc2c(cc1N)OCCO2 2115326039 OUIASBBYTVEOIH-ZRNGKTOUSA-N 282.365 0.997 10 10 CCCE CC(=O)NCCN[C@H](C(=O)O)c1cc(C)ccc1O 211718034 GKWXDIHTYPPYCV-LBPRGKRZSA-N 266.297 0.552 10 10 CCCE NCc1cc(F)c(N2CC[C@](O)(C(N)=O)C2)cc1Cl 2120880789 DVNBSWHCZOFNOR-GFCCVEGCSA-N 287.722 0.364 10 10 CCCE COCCNC(=O)CCNCc1cc(C)ccc1O 134652854 JFSUMSCMCPLSNA-UHFFFAOYSA-N 266.341 0.943 10 10 CCCE CN1C(=O)CS/C1=C/C(=O)NCc1cccc(O)c1O 1558161130 GZDTTXLGZOPHHH-LFYBBSHMSA-N 294.332 0.761 10 10 CCCE COC(=O)NCCC(=O)NCc1ccc(O)cc1O 1557084651 IQLNYRCTCRBTQB-UHFFFAOYSA-N 268.269 0.460 10 10 CCCE O=C(C[C@@H]1CCCC(=O)N1)NCc1cc(O)ccc1O 1637125707 CUZQMEPCBSFWSU-JTQLQIEISA-N 278.308 0.773 10 10 CCCE Cc1nccnc1N(CC(N)=O)Cc1ccc(N)cc1 214289848 LZYJLYCRSBNYCV-UHFFFAOYSA-N 271.324 0.859 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@@](O)(C(F)F)C1 1637041328 BYNISTUBKJTILI-ZDUSSCGKSA-N 287.262 0.869 10 10 CCCE C[C@H](N)c1ccc(N2C[C@H](O)[C@H](O)C2(C)C)cc1O 2124797972 AJFVZOWRIRZEDO-HJIKLVIJSA-N 266.341 0.732 10 10 CCCE Nc1ccc(CCNC(=O)COC[C@@H]2CCOC2)cc1 152588716 OJOVESJZULIINU-CYBMUJFWSA-N 278.352 0.981 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3C[C@H]4C[C@H]3[C@@H]4CO)ccc21 2138374856 YDSCYJIIWFJSBE-SJFDICSNSA-N 259.309 0.456 10 10 CCCE CS(=O)(=O)N1CC[C@@H](CN2CC(N=[N+]=[N-])C2)C1 1912177162 HJHQMFRZSUPOKH-QMMMGPOBSA-N 259.335 0.262 10 10 CCCE NCc1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CF)c(F)c1F 2140661892 JGLUGBGGDFLCTO-HOTUBEGUSA-N 276.258 0.303 10 10 CCCE CN(C(=O)c1ccc(O)c(O)c1)[C@H]1CCNC1=O 1916834008 FTVRJXGFLJFQSA-QMMMGPOBSA-N 250.254 0.058 10 10 CCCE CO[C@H]1C[C@H](C(=O)O)N(Cc2ccc(O)c(O)c2)C1 2136350860 RLCOIEHLPOITII-VHSXEESVSA-N 267.281 0.772 10 10 CCCE COc1cc(N2C[C@H]3C[C@H]2[C@@H](O)[C@@H]3O)ccc1CN 2139683232 SKQVSNNZJRIJTJ-QEGRKFQGSA-N 264.325 0.084 10 10 CCCE O=C([C@@H]1CNc2ccccc2N1)N1CC[C@H](CO)C1 229883892 IIZDNGWGTYGWSX-GWCFXTLKSA-N 261.325 0.733 10 10 CCCE N[C@@H]1C[C@@H]2C[C@H](NC(=O)c3ccc(O)c(O)c3)C[C@H]12 2137367574 FCYVLIJPNSPACT-XWLWVQCSSA-N 262.309 0.953 10 10 CCCE CN[C@@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 1969169105 NXRHDZLNSDEVKH-LLVKDONJSA-N 264.325 0.851 10 10 CCCE Nc1ccc(CS(=O)(=O)NC[C@@H](O)CF)cc1 1945126827 OHXILEVISAYBSN-JTQLQIEISA-N 262.306 0.019 10 10 CCCE NCc1ccc(N2CCCN(CCO)CC2)c(F)c1F 236211892 IFXMVFJPHQXLIC-UHFFFAOYSA-N 285.338 0.928 10 10 CCCE COc1cccc(CN2CC[C@@H](OCCN)C2)c1O 1972828020 YIKBBIZDSIEJIH-GFCCVEGCSA-N 266.341 0.950 10 10 CCCE O=C(O)C1CC2(C1)CN(C(=O)c1cc(O)nc(O)c1)C2 2152189986 WRDWFJJAHQWWGB-UHFFFAOYSA-N 278.264 0.430 10 10 CCCE Nc1ccc(O)c(CNc2cncc3nnnn23)c1 44610681 XWNAJVBNHXOHQF-UHFFFAOYSA-N 257.257 0.419 10 10 CCCE CN1CCN(C)[C@H](C(=O)N2CCC[C@@H](N=[N+]=[N-])CC2)C1 2155752520 CAFVQUDSPZHJQF-NEPJUHHUSA-N 280.376 0.924 10 10 CCCE O=C(CN1C[C@H](F)[C@H](O)C1)c1ccc(O)c(O)c1 2031928278 LYFJSAPHBRIUAC-QPUJVOFHSA-N 255.245 0.295 10 10 CCCE C[C@@H](N[C@@H]1CC(=O)NC1=O)c1c(O)cccc1O 2034957844 OONJSQZKPUWBFH-RNFRBKRXSA-N 250.254 0.164 10 10 CCCE C[C@@H]1CCNCCN1C(=O)c1cccc(O)c1O 2035735735 GDZNFXCDAPMRQL-SECBINFHSA-N 250.298 0.922 10 10 CCCE NCc1ccc(N2C[C@H](O)[C@H]3COC[C@H]32)c(F)c1 2040601154 UFXRSWNJUUARRW-BIMULSAOSA-N 252.289 0.480 10 10 CCCE COC[C@](O)(CO)CNCc1cc(Cl)ccc1O 2040784188 RTJXFLRCRVVCDE-GFCCVEGCSA-N 275.732 0.505 10 10 CCCE CN[C@H](C)c1ccc(N2C[C@H](O)[C@H]3COC[C@H]32)cc1O 2158406729 BBTPVLBFBSVADF-BWUZBNCSSA-N 278.352 0.869 10 10 CCCE CC[C@H](C(=O)O)N(CC(N)=O)Cc1ccc(N)cc1 84104356 NNXBXKFPEDIKPZ-LLVKDONJSA-N 265.313 0.419 10 10 CCCE Cc1cc(CN)ccc1N1CC[C@H](NS(C)(=O)=O)C1 703003498 PASDUZPWEPMUNF-LBPRGKRZSA-N 283.397 0.582 10 10 CCCE CN1CCc2cc(CN[C@@H]3COCC[C@H]3O)ccc21 710913082 JMVROKLSPPCXLA-UKRRQHHQSA-N 262.353 0.918 10 10 CCCE Nc1ncc(S(=O)(=O)NCc2ccccc2O)s1 722219258 LIMYSSAZLIAYRZ-UHFFFAOYSA-N 285.350 0.909 10 10 CCCE O=C(NCC[C@H](O)C(F)F)c1cccc(O)c1O 717412251 GYEHBMDITDSAHN-QMMMGPOBSA-N 261.224 0.844 10 10 CCCE NCc1ccc(N2C[C@H]3C(=O)NC(=O)[C@H]3C2)c(Cl)c1 387004448 QINMRZLEGUTSKH-DTORHVGOSA-N 279.727 0.508 10 10 CCCE C[C@@H](O)C1CN(C(=O)COc2ccc(N)cc2)C1 719787343 QFBFHCGSNBKILG-SECBINFHSA-N 250.298 0.487 10 10 CCCE C[C@@H](O)C1CN(C[C@H](O)COc2ccc(N)cc2)C1 719756228 WFHICFCFMKSMTB-MFKMUULPSA-N 266.341 0.321 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CCSC[C@@H]1CO 388217523 VYAVYDJLILPNOH-VIFPVBQESA-N 269.322 0.648 10 10 CCCE Nc1ccc(CC(=O)N2C[C@@H]3[C@@H](CO)CO[C@H]3C2)cc1 2178090021 FRYYDMRPRTYWAJ-YUTCNCBUSA-N 276.336 0.277 10 10 CCCE Nc1ccc(OC[C@H](O)CN2CC[C@@H]3[C@@H](O)C[C@@H]32)cc1 2178158330 BJFLYTLAOJPSCE-UNQGMJICSA-N 278.352 0.464 10 10 CCCE [N-]=[N+]=NCCCCN1CCC[C@@H]1C(=O)N1CCNCC1 2174632010 VPUBLNIGAKUZHD-GFCCVEGCSA-N 280.376 0.973 10 10 CCCE O=C(NC1C[C@@H]2C(C(=O)O)[C@H]2C1)c1cc(O)nc(O)c1 2169242802 CPWGGMTXBOOHGP-XTOKUROSSA-N 278.264 0.332 10 10 CCCE CCn1nnnc1[C@H](NC)c1ccc2c(c1)CCN2C 2196241891 XMRSGIBYYIQCJH-CYBMUJFWSA-N 272.356 0.994 10 10 CCCE CC1(C)[C@@H](O)[C@@H](O)CN1c1cc2c(cc1N)OCCO2 2181206885 MIWOTUSYWCZNDY-GWCFXTLKSA-N 280.324 0.360 10 10 CCCE CCN(C)[C@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)C1 2188921965 DQHRSYDDNJSVTK-JTQLQIEISA-N 280.324 0.970 10 10 CCCE NC(=O)[C@H]1CC[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)C1 2188926110 XIOYFLIJGLKDLD-POYBYMJQSA-N 280.280 0.187 10 10 CCCE COC[C@H]1C=CCN1C[C@H](O)COc1ccc(N)cc1 2182348549 ZPDSGKIIQUBEAY-KGLIPLIRSA-N 278.352 0.895 10 10 CCCE COc1ccc(N2CCNC(=O)C23CCNCC3)cc1 2193549006 KCCNMSIVCWXODP-UHFFFAOYSA-N 275.352 0.754 10 10 CCCE O[C@@H]1CCCc2cc(N3C[C@@H]4C[C@H]3[C@@H](O)[C@@H]4O)ccc21 2184686914 LXMIHCJATJJZMU-BVEJOUGXSA-N 275.348 0.987 10 10 CCCE COC[C@@](C)(CNC(=O)COc1ccc(N)cc1)OC 2198214891 RUAWEZUWCISNIR-CQSZACIVSA-N 282.340 0.815 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1C[C@H]2C[C@@H](O)C[C@H]2C1 2185074170 KYQSIQYXICEERV-ZSBIGDGJSA-N 277.320 0.870 10 10 CCCE CO[C@@H]1COC[C@@H]1Nc1c(N)cccc1C(=O)O 2057169004 LBKVIQGHSNRFJK-VHSXEESVSA-N 252.270 0.793 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@H]2CC[C@H](O)C2)cc1 2057788518 AMGLJRMRYAWSIN-RYUDHWBXSA-N 270.354 0.602 10 10 CCCE COCCNC(=O)CCN1CCC[C@@H]1CN=[N+]=[N-] 2059057004 CLOCGJGEVBCQIR-SNVBAGLBSA-N 255.322 0.914 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CC[C@@H](C2OCCO2)C1 2068617437 IZTBCWGIWKDOLW-MRVPVSSYSA-N 295.291 0.638 10 10 CCCE COc1cccc(CN2CCC[C@@](O)(CN)C2)c1O 2101321197 FLPZHLZPUNCSDV-CQSZACIVSA-N 266.341 0.686 10 10 CCCE C[C@@H]1CNC[C@@H](C)C1NC(=O)c1cc(O)nc(O)c1 2103912559 VBUROSBXGMRTMG-HTQZYQBOSA-N 265.313 0.467 10 10 CCCE Cc1cccc(CNC(=O)[C@H]2CNC[C@H]2F)c1O 2084058676 JRVXUBSVUOAHOV-WDEREUQCSA-N 252.289 0.874 10 10 CCCE CN1CCN(C)[C@H]([C@H](N)c2ccc(N(C)C)cc2)C1 2106792747 GYXJZLMKWVQSSO-LSDHHAIUSA-N 262.401 0.998 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC[C@H](O)[C@@H](F)C2)cc1 2088319761 CVWMOVNKJXVNMI-RYUDHWBXSA-N 288.344 0.503 10 10 CCCE COc1cc(C(=O)N[C@H]2CCONC2)cc(OC)n1 2110621955 KIEDQHRHTXBCBI-VIFPVBQESA-N 267.285 0.122 10 10 CCCE O=C(NCC[C@@H]1COC[C@@H]1O)c1ccc(O)c(O)c1 2111286639 FLIWLCCUXAZRPR-SKDRFNHKSA-N 267.281 0.225 10 10 CCCE O=C(O)[C@@H]1CC(=O)N(CCc2ccc(O)c(O)c2)C1 2091756482 SDOXSMKQWBOSKI-SECBINFHSA-N 265.265 0.573 10 10 CCCE CNCc1ccc(N2CC[C@H](O)[C@H](CO)C2)cc1OC 2204558386 BXSFADUZEHATNG-JSGCOSHPSA-N 280.368 0.594 10 10 CCCE N[C@H]1CCCc2cc(N3C[C@H](O)[C@H](O)[C@H]3CF)ccc21 2205607342 FHFLPVXAYFUILW-LJISPDSOSA-N 280.343 0.903 10 10 CCCE CO[C@@H]1[C@H](OC)CN(c2ccc(CO)cc2)[C@@H]1CO 2225078892 ZYXROXQRFLMLJS-MCIONIFRSA-N 267.325 0.390 10 10 CCCE OC[C@@H]1NC[C@@H]2CN(Cc3cc(F)cc(F)c3O)C[C@@H]21 2235575153 PLACJLZPLMITJL-CDMKHQONSA-N 284.306 0.683 10 10 CCCE COc1ccc(N2C[C@H]3C[C@H]2CN3C(N)=O)c(C=O)c1 2236002051 BGJMSSDWSBPNJX-WDEREUQCSA-N 275.308 0.849 10 10 CCCE COC(=O)C1(O)CN(c2ccc3c(c2)CCCO3)C1 2226665845 OZDASBBOBWGHHM-UHFFFAOYSA-N 263.293 0.736 10 10 CCCE Cc1cc(N2CCN3C(=O)COC[C@@H]3C2)ccc1CN 2236933868 HCTWKTNEQBOUIF-AWEZNQCLSA-N 275.352 0.501 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NC[C@H]1C[C@H](C(=O)O)C1 2237697977 LTVKWNMXGRMZIF-MGCOHNPYSA-N 279.292 0.867 10 10 CCCE COc1ccc(N2C[C@H](O)C[C@]2(C)CO)c(CN)c1 2227683742 YTIJUIXAXBZCHF-BXUZGUMPSA-N 266.341 0.476 10 10 CCCE CC1(C)C(=O)NC[C@@H]1NCc1ccc(O)c(O)c1O 2266456262 SELUUNPKNWAMNW-VIFPVBQESA-N 266.297 0.418 10 10 CCCE Cc1cc(N2CCOC[C@@H]2[C@@H](O)CO)ccc1[C@H](C)O 2285164856 ORYCABIOBDIOLR-GLQYFDAESA-N 281.352 0.607 10 10 CCCE CN1C(=O)NC(=O)C(=Cc2c[nH]c3ccc(O)cc23)C1=O 2296596587 PUXMBOXMRGPILZ-UHFFFAOYSA-N 285.259 0.965 10 10 CCCE COC(=O)[C@]1(NCCCN=[N+]=[N-])C[C@@H]2CO[C@H]1C2 2313101920 XKKHFLSCOLDFCA-YWVKMMECSA-N 254.290 0.997 10 10 CCCE C[C@H](N)c1ccc(N2C[C@@H]3CS(=O)(=O)[C@H]3C2)cc1 2314885047 GBZCRVRRTGDKFG-NDMJEZRESA-N 266.366 0.940 10 10 CCCE CN(C(=O)c1cccc(O)c1O)[C@@H]1CNC[C@H]1F 2320522880 GYESNCSPGKUIIV-RKDXNWHRSA-N 254.261 0.480 10 10 CCCE CO[C@H]1CN(Cc2cc(N)ccc2O)[C@@H]2COC[C@@H]21 2329183735 RKNJXYWASXEHNQ-SCRDCRAPSA-N 264.325 0.820 10 10 CCCE [N-]=[N+]=NCCCN[C@@]1(C(N)=O)C[C@H]2[C@@H]3CC[C@@H](O3)[C@H]21 2331787773 WHGIZCCXIKLRNP-LIJGXYGRSA-N 265.317 0.698 10 10 CCCE CN(C)CC1(O)CN(c2ccc3c(c2)CC[C@@H]3O)C1 2343629303 AOPASQLOEBJBGL-AWEZNQCLSA-N 262.353 0.779 10 10 CCCE COC[C@@](CN)(C(=O)O)N(C)c1ccc(OC)cc1 2348556823 DZCULLBEXVOFCE-ZDUSSCGKSA-N 268.313 0.560 10 10 CCCE C[C@@H](N[C@H]1CCS(=O)(=O)C1)c1c(O)cccc1O 300436897 QDTRMZYFYRBSAF-BDAKNGLRSA-N 271.338 0.936 10 10 CCCE CNCc1ccc(N2CC[C@@H]3C[C@H]2[C@@H](O)[C@@H]3O)c(F)c1 2357592728 MQEIQJSVLFRMJY-AQNFWKISSA-N 280.343 0.866 10 10 CCCE Cc1cc(C(=O)NCc2cc(N)ccc2O)nn1C 311262455 SERCMWNYBABTAF-UHFFFAOYSA-N 260.297 0.946 10 10 CCCE C[C@@H]1C(=O)NCCCN1C(=O)/C=C/c1ccc(O)c(O)c1 188087782 NPIRMSYIXIIJOW-DFVUYQKZSA-N 290.319 0.848 10 10 CCCE CCC[C@H](N)C(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 40486857 QXPORJXGQBBLFG-VHSXEESVSA-N 296.323 0.337 10 10 CCCE O=C(N[C@H]1c2ccccc2C[C@@H]1O)c1cc(O)nc(O)c1 42189835 NJGFQJKDQOSWPG-FZMZJTMJSA-N 286.287 0.881 10 10 CCCE O=C1C[C@H](NCc2cc3c(cc2O)OCO3)CN1 228947617 LBDWYFNQPFDYQK-QMMMGPOBSA-N 250.254 0.099 10 10 CCCE Nc1ccc(OCC(=O)NC2CCOCC2)cc1 40305234 YDEVTEROJTWSTG-UHFFFAOYSA-N 250.298 0.943 10 10 CCCE COC[C@@H](C)OC[C@@H](O)CNCc1ccccc1O 234776714 JJDNGSMLLLSZIA-YPMHNXCESA-N 269.341 0.894 10 10 CCCE C[C@H](CC[S@@](C)=O)NC(=O)c1ccc(O)c(O)c1 235454258 AMJALHQDOBLDJA-NTCNTBNZSA-N 271.338 0.985 10 10 CCCE C[C@H](O)[C@@H](N)CNC(=O)/C=C/c1ccc(N(C)C)cc1 706104656 ZLHOASXBBUYMFL-YYZHOMROSA-N 277.368 0.590 10 10 CCCE COc1cc(C(=O)N[C@H]2CNC[C@H](C)C2)cc(OC)n1 2166943237 USROCIMFRZZKNF-MWLCHTKSSA-N 279.340 0.827 10 10 CCCE COc1cc(N)c(N2CC[C@@H](O)[C@@H](O)C2)cc1OC 2132139438 ZZOVMJNYKYHYET-MNOVXSKESA-N 268.313 0.218 10 10 CCCE Nc1cnn2c1N(C(=O)c1ccc(O)c(O)c1)CCC2 722380150 HULJCFWDQSYMEG-UHFFFAOYSA-N 274.280 0.927 10 10 CCCE CN[C@@H]1[C@@H](C)CN(C(=O)c2cc(O)nc(O)c2)C[C@H]1C 721627040 AQXRLZLRLXXYIO-WOFXILAISA-N 279.340 0.809 10 10 CCCE [N-]=[N+]=N[C@H]1[C@@H](OCc2ccccc2)O[C@@H](CO)[C@@H](O)[C@H]1O 65734570 NZPDOBJGGCDISD-QWQWKMKNSA-N 295.295 0.321 10 10 CCCE C[C@H]1OC(=O)N[C@@H]1C(=O)NCc1c(O)cccc1F 928709061 XAOAASIVUQCLDU-LDWIPMOCSA-N 268.244 0.644 10 10 CCCE CC(=O)C(=O)COC(=O)[C@@H](O)[C@H](C)c1ccccc1F 870078040 ZNMGOHQRUKVFCM-OQPBUACISA-N 282.267 0.991 10 10 CCCE NCC[C@@H]1CN(C(=O)Nc2ccc(N)cc2)CCO1 1876137682 VQIBEGGSEQPGII-GFCCVEGCSA-N 264.329 0.850 10 10 CCCE NC(=O)[C@@H]1CC[C@H](C(=O)NCc2ccccc2O)C1 896015402 MWOQWEXGKZXVML-ZJUUUORDSA-N 262.309 0.910 10 10 CCCE C[C@H](ONC(=O)N(C)Cc1ccccc1O)C(=O)O 1877545107 LOSZWSKQNQZDCQ-QMMMGPOBSA-N 268.269 0.938 10 10 CCCE O=C(N[C@@H]1CNC[C@@H]1C(F)F)c1cccc(O)c1O 1878723144 BTXZNGZDTVGMTK-JGVFFNPUSA-N 272.251 0.681 10 10 CCCE CO[C@@H](C)[C@H](N)C(=O)NCc1cnc(SC)s1 2248614129 XKQDCZBLBSQHOM-XPUUQOCRSA-N 275.399 0.843 10 10 CCCE CCn1c(SCC(=O)Nc2ccc(N)cc2)n[nH]c1=O 59952792 CHGCUNLJJFITJR-UHFFFAOYSA-N 293.352 0.904 10 10 CCCE OCc1ccc(N2CCC[C@H](CO)[C@H]2CO)cc1 710076421 ICTCXOJOSSCVBH-TZMCWYRMSA-N 251.326 0.749 10 10 CCCE C[C@@H]1COC[C@H]1N(C)C[C@@H](O)COc1ccc(N)cc1 688190905 VBJPUPUFVNCEPN-UXIGCNINSA-N 280.368 0.975 10 10 CCCE C[C@@H](O)c1ccc(N2CC(O)(C(F)(F)CO)C2)cc1 2272873249 GLQUQWSXTCPTOH-SECBINFHSA-N 273.279 0.919 10 10 CCCE COc1ccc(O)c(CNC2(C)CS(=O)(=O)C2)c1 1918405420 NBCLKOPHEQUGDL-UHFFFAOYSA-N 271.338 0.678 10 10 CCCE C[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CC(=O)N1C 1448237515 QMNCOSYHRUXCRB-VIFPVBQESA-N 278.308 0.329 10 10 CCCE COc1ccc(N2CC(=O)NC[C@@H]2C(=O)O)cc1 214525360 WGXYQUYLSZPKOR-SNVBAGLBSA-N 250.254 0.085 10 10 CCCE C[C@H]1COCCN1CCNC(=O)Cc1ccc(O)c(O)c1 1464952615 QHOGFBQTHQOTFF-NSHDSACASA-N 294.351 0.477 10 10 CCCE C[C@H](O)[C@H](CO)NCc1ccc2c(c1)CCCN2C 2117480051 FKYOXVCFEOWKCL-FZMZJTMJSA-N 264.369 0.900 10 10 CCCE COC[C@]1(CO)CCN(C(=O)Cc2ccc(O)c(O)c2)C1 1569205261 JYBWGCYAFWSJMS-OAHLLOKOSA-N 295.335 0.498 10 10 CCCE COC[C@](O)(CO)CNCc1cc(F)cc(F)c1O 1966068504 WTJVLLQVZNCERK-GFCCVEGCSA-N 277.267 0.130 10 10 CCCE COC[C@@H](N)C(=O)N(C)[C@@H](C)c1ccccc1O 159769976 PRMOKMYFNVUTDN-GXSJLCMTSA-N 252.314 0.885 10 10 CCCE COc1ccc(N(C)C[C@H](N)CC(=O)O)cc1OC 258908970 LXSLCSBZNMGXFB-SECBINFHSA-N 268.313 0.942 10 10 CCCE C[C@@H](NC(N)=O)C(=O)N1CCCC[C@@H](CN=[N+]=[N-])C1 1912211602 YMEUJMIYXSWYGO-BDAKNGLRSA-N 268.321 0.982 10 10 CCCE COc1cc(N2CC[C@@H](OCCO)C2)ccc1CO 2139703658 BFLHFXLFNBKLIP-CYBMUJFWSA-N 267.325 0.775 10 10 CCCE CN(c1ccc2c(c1)NC(=O)[C@H]2N)C1(CO)CCC1 1914985441 LDQAQZXINLPUCL-LBPRGKRZSA-N 261.325 0.990 10 10 CCCE CC[C@H](O)c1ccc(N2CC(CO)(CO)C2)cc1 1914977424 NAKOADDKMMIOFB-ZDUSSCGKSA-N 251.326 0.921 10 10 CCCE Cc1noc(CCNCc2ccc(O)c(O)c2O)n1 226754773 CIRYLZAGGLXSNJ-UHFFFAOYSA-N 265.269 0.827 10 10 CCCE C[C@H](O)C[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 228120506 XXKQHYFYIXBORO-YWVKMMECSA-N 282.340 0.243 10 10 CCCE CC(C)NC(=O)[C@@H](C)NC(=O)Cc1ccc(N)cc1 228884538 HBUHNTDIENMJGY-SNVBAGLBSA-N 263.341 0.841 10 10 CCCE CS(=O)(=O)CCNC(=O)[C@@H]1CNc2ccccc2N1 229877931 PBEIZKMPYBKRJV-NSHDSACASA-N 283.353 0.053 10 10 CCCE Nc1ccc(OCCNC(=O)[C@]23C[C@H](CO2)C3)cc1 2140273803 PTSBVKQPIUHZJO-WJONMLJTSA-N 262.309 0.943 10 10 CCCE O=S1(=O)CC(CNCc2c(O)cccc2F)C1 1967791248 CEPJJDIVFNXATO-UHFFFAOYSA-N 259.302 0.666 10 10 CCCE CN(C)C[C@H]1C[C@@H](O)CN1c1ccc(CN)c(F)c1F 234264538 RWCGBJOLUXLFGU-GHMZBOCLSA-N 285.338 0.925 10 10 CCCE O=[N+]([O-])c1ccc(N2CCN(CCO)CC2)cc1CO 236494966 QCKRPIVJZNOUOY-UHFFFAOYSA-N 281.312 0.201 10 10 CCCE CN(C)c1ccc([C@@H](O)C2(C(=O)O)CNC2)cc1F 1951482499 UBHCXEHCXOYILL-LLVKDONJSA-N 268.288 0.599 10 10 CCCE C[C@@H]1CN(c2ccc3c(c2)N(C)C(=O)[C@@H]3N)CCN1C 131391753 ORNHXOOCOMCLKU-QMTHXVAHSA-N 274.368 0.803 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3C[C@H](O)C4(CC4)C3)ccc21 2149753398 DWEPLWZHCGVHQP-STQMWFEESA-N 273.336 0.860 10 10 CCCE NCc1ccc(N2CCOC[C@@H]2C(=O)NC2CC2)cc1 159323293 FCDZEKSTRMGTJZ-CQSZACIVSA-N 275.352 0.629 10 10 CCCE Oc1cc2c(cc1CN[C@@H]1CO[C@H]3COC[C@H]13)OCO2 2158072607 LFIZTPSLQQJZGI-RULNRJAQSA-N 279.292 0.624 10 10 CCCE CN(OCC(=O)O)C(=O)CCc1ccc(N)cc1 2029281693 UXCNURXJHOZPFQ-UHFFFAOYSA-N 252.270 0.676 10 10 CCCE Nc1ccc(CN2C[C@H](CO)[C@@H](CCO)C2)cc1 2032549058 KKEMPMJAONJYSP-QWHCGFSZSA-N 250.342 0.692 10 10 CCCE CO[C@H]1CN(C)C[C@@H]1NCc1ccc(O)cc1O 2034336313 QQKCUJWPRWRPDR-AAEUAGOBSA-N 252.314 0.516 10 10 CCCE OCC[C@]1(CO)CCN(c2ccc(CO)cc2)C1 2035823626 GJIDBDMIBFZVEI-CQSZACIVSA-N 251.326 0.750 10 10 CCCE CC[C@@H](N)c1ccc(N2CC[C@@](O)(C(N)=O)C2)cc1 311894982 ZCJIFOJAVDVBIO-OCCSQVGLSA-N 263.341 0.523 10 10 CCCE O=S1(=O)CC(CNCc2cc(F)ccc2O)C1 701869536 ZIBVQEZOVOYURL-UHFFFAOYSA-N 259.302 0.666 10 10 CCCE CS(=O)(=O)[C@H]1C[C@H](NCc2ccc(O)cc2O)C1 714247323 KUFGPHBODDZAQJ-HOMQSWHASA-N 271.338 0.763 10 10 CCCE C[C@@H]1CN(C[C@H](O)COc2ccc(N)cc2)C[C@H]1O 387844162 DXTNXDOSBQSEPR-SCDSUCTJSA-N 266.341 0.321 10 10 CCCE Nc1ccc(CS(=O)(=O)NC[C@H]2[C@@H]3COC[C@H]23)cc1 395142302 GGKUARTTZXBIEN-XYYAHUGASA-N 282.365 0.581 10 10 CCCE CNC(=O)[C@@H]1CCN(c2ccc([N+](=O)[O-])c(CO)c2)C1 398566084 NAEWKAAWCAFOBJ-SECBINFHSA-N 279.296 0.659 10 10 CCCE CC(=O)NCCn1cc(COc2ccc(N)cc2)nn1 2179341303 OGCVBPXZEFQADY-UHFFFAOYSA-N 275.312 0.575 10 10 CCCE COc1ccc(CNC2CN([C@@H](C)C(=O)O)C2)c(O)c1 2188305586 WQMMPTGSHRMZKF-VIFPVBQESA-N 280.324 0.648 10 10 CCCE O=C(N[C@@H]1CCN2CC[C@H]1C2)c1cc(O)c(O)c(O)c1 2192798892 IRCDPDCVTGYQQM-WCBMZHEXSA-N 278.308 0.627 10 10 CCCE CO[C@@H](C)[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)C(=O)O 2188868529 SOPQVONABAFTSU-SSDLBLMSSA-N 285.252 0.021 10 10 CCCE C[C@@H]1[C@@H]2CNC[C@@H]2CN1C(=O)c1cc(O)c(O)c(O)c1 2188924849 SXXICZFDJVNTEP-QNSHHTMESA-N 278.308 0.483 10 10 CCCE CN(Cc1ccccc1O)C(=O)CC1(O)CNC1 2048099132 YPVULQHCLITFJB-UHFFFAOYSA-N 250.298 0.075 10 10 CCCE N[C@H]1[C@@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)[C@H]2CCC[C@H]21 2053218291 FFQWIBBEFXIZCC-FZJAVDDGSA-N 250.342 0.625 10 10 CCCE COc1ccc(N(CCCN)C[C@H]2CCNC2=O)cc1 2185174377 LQYDKSGJDIKBJW-GFCCVEGCSA-N 277.368 0.987 10 10 CCCE CN(c1cc2c(cc1N)OCC(=O)N2)C1[C@@H]2CNC[C@@H]12 2191611382 PLKSGTDTWVWXDW-HTQZYQBOSA-N 274.324 0.254 10 10 CCCE Nc1ccc(NC(=O)N2CCNC[C@H](O)C2)cc1 2071559094 WCDJALOCISCRAY-NSHDSACASA-N 250.302 0.067 10 10 CCCE Nc1ccc(NCC[C@@H]2CNCCS2(=O)=O)cc1 2071600347 LGSVSXOZQVJIDZ-GFCCVEGCSA-N 269.370 0.457 10 10 CCCE CN(Cc1ccccc1O)C[C@H]1CCS(=O)(=O)N1 2072459329 FZVWRNODWBZVSE-LLVKDONJSA-N 270.354 0.516 10 10 CCCE C[C@@H]1N2CCC(CC2)[C@]1(NCCN=[N+]=[N-])C(N)=O 2072643076 FPRCJXKALDDDST-KWQFWETISA-N 252.322 0.225 10 10 CCCE CCOC(=O)c1cccc(N)c1N[C@@H]1CCNC[C@H]1O 2191745554 KQKOCEQOGJAVHI-VXGBXAGGSA-N 279.340 0.580 10 10 CCCE NCc1ccc(N2CCC2(CO)CO)c(F)c1F 2073919510 FKOPWPZGEXDMPK-UHFFFAOYSA-N 258.268 0.357 10 10 CCCE C[C@@H](O)c1cc(F)c(N2CC(O)(CO)C2)c(F)c1 2074079509 VAIZPVICAVGKPZ-SSDOTTSWSA-N 259.252 0.562 10 10 CCCE NC[C@H](F)C1CC(NC(=O)c2cc(O)c(O)c(O)c2)C1 2199126385 FWVPMOXZNCYCLJ-DMBGQZSHSA-N 284.287 0.609 10 10 CCCE C[C@]1(C(=O)O)CN(Cc2ccc(N)cc2)CCO1 2076958472 UILCCZWZGWYZLS-CYBMUJFWSA-N 250.298 0.944 10 10 CCCE C[C@@H](c1cc(O)ccc1O)N(CCO)CC(=O)O 2081025360 XKLMWXDVXQKERP-QMMMGPOBSA-N 255.270 0.538 10 10 CCCE C[C@@H]1CCNC(=O)[C@@H]1CNCc1ccc(O)c(O)c1 2103042661 WHDVOLGQXVFVGV-MWLCHTKSSA-N 264.325 0.960 10 10 CCCE O=C(NCc1ccccc1O)C1COCCOC1 2083284047 CEHMHJLRCUWRFZ-UHFFFAOYSA-N 251.282 0.671 10 10 CCCE NCc1ccc(N2CC(OCCCO)C2)c(F)c1 2085893136 SDVCYNRCNVMUAR-UHFFFAOYSA-N 254.305 0.872 10 10 CCCE O=C(NC[C@@H]1CCCCCN1)c1cc(O)nc(O)c1 2088445991 CUXFVDDEQGHCGR-JTQLQIEISA-N 265.313 0.755 10 10 CCCE COC(=O)[C@](C)(NCCO)c1ccc(N(C)C)cc1 2088812380 RTVFKNWUZXEVKU-CQSZACIVSA-N 266.341 0.723 10 10 CCCE CN1CC[C@@H]([C@@H](O)CCc2ccc(N)cc2)S1(=O)=O 2089531979 PDMWQCHPHCYAHF-STQMWFEESA-N 284.381 0.596 10 10 CCCE Cc1cc(N2C[C@@]3(CO)C[C@]3(CO)C2)ccc1CO 2090116076 KYLUEXGIKOLJOG-HUUCEWRRSA-N 263.337 0.668 10 10 CCCE CCNC(=O)C1CN(C(=O)c2ccc(O)c(O)c2)C1 2111739227 XVXWKBKYSIVZNV-UHFFFAOYSA-N 264.281 0.306 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CC[C@@H]2[C@H](CO)[C@H]2C1 2093146099 PZQMGADRLRMFCV-DCAQKATOSA-N 263.293 0.798 10 10 CCCE CC(C)(O)C1CN(C(=O)COc2ccc(N)cc2)C1 2095958599 AXCRJXPYLAYLFG-UHFFFAOYSA-N 264.325 0.877 10 10 CCCE CCCN(c1ccc(N)cc1)[C@@H]1CS(=O)(=O)C[C@H]1O 2099396110 DRMIYIBXXDCGFJ-CHWSQXEVSA-N 284.381 0.643 10 10 CCCE CN(Cc1ccc(N)cc1)CC1[C@@H]2CS(=O)(=O)C[C@@H]12 2118016949 QNFHUYGJJWGMOZ-KBPBESRZSA-N 280.393 0.991 10 10 CCCE Cc1cccc(CNC(=O)[C@@H]2CC(C(=O)O)=NO2)c1O 2204627318 XNJLFKHASQJKBZ-JTQLQIEISA-N 278.264 0.546 10 10 CCCE NC(=O)C1(O)CCN(c2ccc3c(c2)OCCO3)CC1 2235101650 PCINSBYZXKKJIX-UHFFFAOYSA-N 278.308 0.274 10 10 CCCE COc1ccc(N2C[C@H](O)[C@H](O)CC2(C)C)c(CN)c1 2235956708 ZCZAXYTVEODADQ-KGLIPLIRSA-N 280.368 0.864 10 10 CCCE OC[C@@H]1[C@H](O)[C@@H](O)CN1c1ccc(OC2CC2)cc1 2226756480 DIXQCUNZRPDTBB-RDBSUJKOSA-N 265.309 0.131 10 10 CCCE CN(C)C[C@H]1C=CCN1C(=O)COc1ccc(N)cc1 2239050472 CWUCJNHTNPKOMO-CYBMUJFWSA-N 275.352 0.976 10 10 CCCE Cc1cc([C@H](C)N)ccc1N1CC2(C1)OC[C@H](O)[C@H]2O 2240829500 MJIKWCYGUFGBFZ-LEWSCRJBSA-N 278.352 0.326 10 10 CCCE N=C(NO)c1cnc(SCC(=O)NC2CC2)s1 2253283801 ROURWWOUPOACMI-UHFFFAOYSA-N 272.355 0.818 10 10 CCCE CN[C@H](C)c1ccc(N2C[C@@H](O)[C@H](O)C2)cc1C 2257455677 ALHRCFAEHQXXRD-LERXQTSPSA-N 250.342 0.817 10 10 CCCE O=C(N[C@H]1CCNCC1(F)F)c1cccc(O)c1O 2264444696 FDWHMZULJXOUNF-VIFPVBQESA-N 272.251 0.825 10 10 CCCE Cc1cc(N2C[C@@H]3OC[C@@H](CO)O[C@@H]3C2)ccc1CO 2279780704 CMIYYQAEJYUZPC-QLFBSQMISA-N 279.336 0.452 10 10 CCCE O=C1CN(C(=O)/C=C/c2cnccn2)c2ccncc2N1 491927329 SYXLKGIVMHWLHM-OWOJBTEDSA-N 281.275 0.870 10 10 CCCE NC(=S)C1(F)CN(C(=O)c2cccc(O)c2O)C1 2317316228 IRFBXYTXNJVOJI-UHFFFAOYSA-N 270.285 0.548 10 10 CCCE NCc1ccc(N2C[C@@H]3C[C@H]2[C@H](O)[C@H]3O)c(F)c1F 2329332639 NFVRGRSWGDDNCG-MNNHZPJKSA-N 270.279 0.354 10 10 CCCE O=C(N[C@H]1C[C@@H](CO)[C@@H]2C[C@H]12)c1cccc(O)c1O 2329879569 ILYDWVQMZGIGBG-ASXGKARISA-N 263.293 0.845 10 10 CCCE NCc1ccc(N2[C@H]3CC[C@@H]2C[C@@H](O)[C@H]3O)c(F)c1 2331964487 JJLOIOFUFYEQAG-PCDDKUFXSA-N 266.316 0.747 10 10 CCCE COC1CN(CCNC(=O)Cc2ccc(N)cc2)C1 2340012264 CYBLOLMVWYROIK-UHFFFAOYSA-N 263.341 0.258 10 10 CCCE CO[C@H]1COCCN(CCOc2ccc(N)cc2)C1 2351583599 HKRWJVTXYHHQIQ-CQSZACIVSA-N 266.341 0.995 10 10 CCCE CSc1cc(N2C[C@H]3C[C@H]2[C@H](O)[C@@H]3O)ccc1CN 2353851592 MRKZALGTSCCYSN-MWQHPAIMSA-N 280.393 0.798 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1C[C@@H](CO)[C@H]2C[C@H]12 2354933884 YCBWDNFFAKWKIH-USZNOCQGSA-N 277.320 0.773 10 10 CCCE CCN/C=C1\C(=O)NC(=O)N(c2ccccc2OC)C1=O 103775528 SRBCOGWPCIZVRX-CMDGGOBGSA-N 289.291 0.771 10 10 CCCE CN1CC[C@H](N(C)C(=O)c2cccc(O)c2O)C1 310778252 QYBVCQJHBWPGKW-VIFPVBQESA-N 250.298 0.874 10 10 CCCE Nc1ccc(OCC(=O)N[C@H]2C[C@H]3CNC[C@@H]2C3)cc1 2357175661 MEBZAWCSNWEDBY-MJVIPROJSA-N 275.352 0.762 10 10 CCCE O=C(NC1CCS(=O)CC1)c1cccc(O)c1O 126547914 HMBLRBXKRFXVGG-UHFFFAOYSA-N 269.322 0.739 10 10 CCCE COCCS(=O)(=O)CCOc1ccc(N)cc1 35322099 HYJYSZVEJLZLAQ-UHFFFAOYSA-N 259.327 0.709 10 10 CCCE O=C(NCCCN1CCCC1=O)c1cccc(O)c1O 186754150 PYRIWBDNHNGIGX-UHFFFAOYSA-N 278.308 0.840 10 10 CCCE C[C@H](N[C@H]1CCC(=O)NC1=O)c1ccc(F)cc1O 89754782 QGYMPUFXZQTKAD-XVKPBYJWSA-N 266.272 0.987 10 10 CCCE CNCc1ccc(N(C)CCOCCO)c(F)c1 380699735 WUKPREDWBLXQCA-UHFFFAOYSA-N 256.321 0.990 10 10 CCCE O=[N+]([O-])c1cc(N2C[C@@H]3[C@@H](CO)[C@@H]3C2)ccc1CO 2132057752 IEKLTMFKYLOELE-GDNZZTSVSA-N 264.281 0.762 10 10 CCCE NCCC1(CNC(=O)c2ccc(O)c(O)c2)CC1 236245536 NHGJFGCTNSUHKM-UHFFFAOYSA-N 250.298 0.957 10 10 CCCE CN(C)c1ccc([C@@H](O)[C@]2(C(=O)O)CNCCO2)cc1 2164764885 SUCOJODMHKWIHJ-OCCSQVGLSA-N 280.324 0.229 10 10 CCCE C[C@@H]1CC(=O)CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2132409439 FQWHFFOWMCZKGD-SSDOTTSWSA-N 265.265 0.855 10 10 CCCE COc1ccc(CN2CCN[C@@H]3COC[C@@H]32)c(O)c1 2132558439 FTUVJZBLXWHJGD-OLZOCXBDSA-N 264.325 0.573 10 10 CCCE CN1C[C@H](NCc2ccc(F)c(F)c2O)CC1=O 700720325 DLAZGYYVIJJYOV-MRVPVSSYSA-N 256.252 0.991 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CCS[C@@H](CO)C3)ccc21 720040631 PTGJLARYPKSJGF-SKDRFNHKSA-N 279.365 0.553 10 10 CCCE C/C=C\[C@@H](O)C(=O)NCCc1ccc(O)c(O)c1 901122281 NRPJAOJIMZRXKU-OTDNITJGSA-N 251.282 0.694 10 10 CCCE Cn1cc(CCC(=O)NCc2c(O)cccc2F)nn1 928711722 OMWVQJDPGUDGBS-UHFFFAOYSA-N 278.287 0.909 10 10 CCCE C[C@H](NCC[C@H]1CNCCS1(=O)=O)c1ccccc1O 925797171 PHVWLKWSNSLOQB-RYUDHWBXSA-N 298.408 0.820 10 10 CCCE NC(=O)[C@H]1C[C@H](NC(=O)NCc2ccccc2O)C1 858770390 SIABORUZPNLMHO-MGCOHNPYSA-N 263.297 0.455 10 10 CCCE Nc1ccc(NC(=O)CCN2C[C@H](O)C[C@@H]2CO)cc1 698117700 VPGCWVNKCKAULU-CHWSQXEVSA-N 279.340 0.025 10 10 CCCE COc1ccc(N2C[C@H](N)CC[C@@H]2C(=O)O)c(N)c1 1876551592 VOAGTCHRARVXSQ-PRHODGIISA-N 265.313 0.658 10 10 CCCE O=C(/C=C/c1ccc(O)c(O)c1)N1C[C@@H](O)C[C@@H](O)C1 779530508 JOZQFWKUHTWWON-BUYCOLMZSA-N 279.292 0.065 10 10 CCCE Nc1ccc(OCCC(=O)N2C[C@@H]3C[C@]3(N)C2)cc1 1876484216 QWXAQCPCYIAVSQ-HZMBPMFUSA-N 261.325 0.597 10 10 CCCE 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TYSKRGDHSDCEGR-GWCFXTLKSA-N 293.392 0.577 10 10 CCCE O=C(CN1CCN2CC[C@H]1C2)c1ccc(O)c(O)c1 394326583 LUSFYEQKHMCORI-NSHDSACASA-N 262.309 0.670 10 10 CCCE CC=C[C@@H](O)C(=O)NCc1cc(OC)ccc1O 2059326843 MEAAOORJNHKOKX-GFCCVEGCSA-N 251.282 0.954 10 10 CCCE CNC(=O)[C@H]1CCN(C(=O)c2ccc(O)c(O)c2)C1 398504471 JHGOZTRGKGCBOR-VIFPVBQESA-N 264.281 0.306 10 10 CCCE C[C@@H](C(=O)Nc1ccc(N)cc1)[S@@](=O)CCC(N)=O 399448700 YWSYAMHFUGVMRX-RLBGWGEZSA-N 283.353 0.220 10 10 CCCE CN[C@H](C)c1ccc(N2CCOC[C@@H](O)C2)cc1O 399874149 QWCZXJPBENBFMA-PWSUYJOCSA-N 266.341 0.870 10 10 CCCE CCOc1cccc(CN2CC[C@@H](CO)[C@H](N)C2)c1O 2178866445 FFKLXAJXNZDSOI-QWHCGFSZSA-N 280.368 0.932 10 10 CCCE Nc1ccc(CC(=O)N[C@@]23CC[C@@H](C2)[C@@H](O)[C@H]3O)cc1 2176914128 NLXCRXWOIBEPDM-QOWREQOWSA-N 276.336 0.202 10 10 CCCE Cn1nncc1CCNC(=O)CCc1ccc(N)cc1 2179845635 ZOFBSRFBWDOMEA-UHFFFAOYSA-N 273.340 0.689 10 10 CCCE CN(C[C@]1(O)CCOC1)c1ccc(CO)c([N+](=O)[O-])c1 2188573099 AMJVOJHOPIGDCI-CYBMUJFWSA-N 282.296 0.675 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CCn2nccc2C1 2188919345 MBODGZNPYIRDGP-UHFFFAOYSA-N 275.264 0.656 10 10 CCCE CNCc1ccc(N2C[C@@H](O)C[C@H](O)C2)c(C)c1 2043132850 DSPAGFADYSOZSE-STQMWFEESA-N 250.342 0.646 10 10 CCCE C[S@@](=O)C1CN(c2ccc3c(c2)NC(=O)[C@@H]3N)C1 2051898986 FFJOUNBZMKTMMK-ADLMAVQZSA-N 265.338 0.206 10 10 CCCE COc1ccc(O)c([C@H](C)N[C@H](CO)[C@H](C)O)c1 2053800655 QTOVWLJEFFYLNE-HOTUBEGUSA-N 255.314 0.793 10 10 CCCE C[C@H]1OCCO[C@H]1C(=O)NCC1(CN=[N+]=[N-])CC1 2054028336 CSBIJSNHBKVJEO-RKDXNWHRSA-N 254.290 0.997 10 10 CCCE CS(=O)(=O)N1CC[C@@H](N2CCC[C@@H]2CN=[N+]=[N-])C1 2059059896 SWSLSTOMKYXJHL-NXEZZACHSA-N 273.362 0.795 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@@H]3CCC[C@H](C2)N3)cc1 2191633551 GWQMUHOZRQXEKX-OKILXGFUSA-N 295.408 0.925 10 10 CCCE Nc1ccc(CS(=O)(=O)NC[C@H](N)c2ccco2)cc1 2191641000 BBJLZFWPCRNCRI-LBPRGKRZSA-N 295.364 0.981 10 10 CCCE COCC(=O)N1CCN(CCCCN=[N+]=[N-])CC1 2062341890 LQAOLWDAHHLXKW-UHFFFAOYSA-N 255.322 0.868 10 10 CCCE O=C1C[C@H](NCc2ccc(O)c(O)c2O)CCN1 2066264060 XIPYCILNHBXLNK-MRVPVSSYSA-N 252.270 0.172 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3[C@H]4C[C@H]3CN(C)C4)ccc21 2187625927 UOYIOPHQXMFXEK-MJVIPROJSA-N 272.352 0.792 10 10 CCCE C[C@H](N)c1cc(F)c(N2CC(O)(CO)C2)c(F)c1 2074225613 FKBXRDMVXRGYCI-ZETCQYMHSA-N 258.268 0.528 10 10 CCCE CN1C[C@H](O)[C@@H](N(c2ccc(CN)cc2)C2CC2)C1 2100728185 UJZUXSWBDPHVFS-GJZGRUSLSA-N 261.369 0.789 10 10 CCCE NC(=O)C1[C@@H]2CN(c3ccc(CO)cc3Cl)C[C@@H]12 2081419489 WHLHBDVAEQZUEO-RKDXNWHRSA-N 266.728 1.000 10 10 CCCE OCc1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CF)c(F)c1 2084799636 VKJXTJRUBYAQIM-WOPDTQHZSA-N 259.252 0.198 10 10 CCCE CNCc1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CF)cc1 2084797820 LCYNGHUXTIUANA-RWMBFGLXSA-N 254.305 0.286 10 10 CCCE C[C@H]1CNCC[C@H]1N(C)C(=O)c1cc(O)nc(O)c1 2106593347 GOHGSDSXHSXLTC-WCBMZHEXSA-N 265.313 0.563 10 10 CCCE CO[C@@H](C)[C@H](N)C(=O)NCc1ccc(N(C)C)cc1 2087713731 CNILDKQFNADSMM-GWCFXTLKSA-N 265.357 0.731 10 10 CCCE CC[S@@](=O)CCNC(=O)[C@@H]1CNc2ccccc2N1 229885163 HJPSIAHHCGOLBO-HXPMCKFVSA-N 281.381 0.777 10 10 CCCE Nc1cc2c(cc1N1CC[C@@H](O)C[C@H]1CO)OCCO2 2200832874 NKWGSKGAGALOSV-VHSXEESVSA-N 280.324 0.362 10 10 CCCE NCc1nnc2n1CCN(Cc1c(O)cccc1F)C2 2203323513 ZLFNOSQUFGDXJT-UHFFFAOYSA-N 277.303 0.597 10 10 CCCE O=C1NC(=O)[C@@]2(CCN(Cc3ccc(F)cc3O)C2)N1 2204651367 RFNHZMVYJVDUJS-ZDUSSCGKSA-N 279.271 0.315 10 10 CCCE O=C(O)C(=O)N1CCN(Cc2ccc(F)cc2O)CC1 2204633807 ODNFRMCYXXDBLR-UHFFFAOYSA-N 282.271 0.260 10 10 CCCE Cc1cc(O)cc(C)c1NS(=O)(=O)N1CCOCC1 2231221412 IOIKRKCPJBEBAS-UHFFFAOYSA-N 286.353 0.998 10 10 CCCE Cc1cc([C@@H](C)O)ccc1N1C[C@H](O)C[C@@H](O)C1 2223977357 FEYJKIVTGKLISD-RAIGVLPGSA-N 251.326 0.980 10 10 CCCE CNCc1cc(OC)ccc1N1CC(OC(=O)NC)C1 2235974238 KOCFICUOPJPBOS-UHFFFAOYSA-N 279.340 0.959 10 10 CCCE OC[C@@]1(O)CCCN(c2ccc3c(c2)OCCO3)C1 2226772883 ZQEGPCCHTMVLBH-CQSZACIVSA-N 265.309 0.781 10 10 CCCE COc1ccc(N2CC3(C2)OC[C@H](O)[C@@H]3O)cc1F 2226773426 CVICSKBMEAAAHS-JQWIXIFHSA-N 269.272 0.145 10 10 CCCE CNCc1cc(OC)ccc1N(C)CCC(=O)NC 2227680889 CRZUOSDSXONAQD-UHFFFAOYSA-N 265.357 0.987 10 10 CCCE COc1ccc(N2C[C@H](C)O[C@@H](CO)C2)c(CO)c1 2227708941 NZKGFWNXYMHLRF-GXFFZTMASA-N 267.325 0.774 10 10 CCCE COc1ccc(N2CCOC[C@@]2(C)CO)c(CO)c1 2227711183 MWBUIMABZYOIOQ-CQSZACIVSA-N 267.325 0.775 10 10 CCCE Cc1cc([C@@H](C)O)ccc1N1C[C@H]2C(=O)NC(=O)[C@H]2C1 2240830471 OLLZZWAXYRBYKY-JLLWLGSASA-N 274.320 0.757 10 10 CCCE CSc1ncc(CNS(=O)(=O)CCCON)s1 2248744818 NJMWVSBPORRHHT-UHFFFAOYSA-N 297.427 0.565 10 10 CCCE COc1cc(OC)c(N(CCO)C2COC2)c(OC)c1 2287071637 YJYISPUMBZQRGR-UHFFFAOYSA-N 283.324 0.910 10 10 CCCE NC[C@@]12C[C@@H]1CN(S(=O)(=O)Cc1ccc(N)cc1)C2 2272632675 GYNMXPQRNFNFDU-DGCLKSJQSA-N 281.381 0.379 10 10 CCCE CCC[C@@]1(NCc2ccc(O)c(O)c2O)CCNC1=O 2289920865 LERGLAAJKBEQOJ-CQSZACIVSA-N 280.324 0.952 10 10 CCCE CCOC(=O)CNC(=O)NCCc1ccc(O)c(O)c1 1189920853 IGCYLDIBKUZKCG-UHFFFAOYSA-N 282.296 0.503 10 10 CCCE CSc1ncc(CN[C@]2(C(=O)O)CC[C@@H]2N)s1 2306091449 ZYAMEJCRZQVDBI-OIBJUYFYSA-N 273.383 0.899 10 10 CCCE NCc1ccc(N2C[C@@H]3CS(=O)(=O)[C@H]3C2)c(F)c1 2314966962 ZITCNMMYAGBVLE-SKDRFNHKSA-N 270.329 0.518 10 10 CCCE COC(=O)[C@H](NCCCN=[N+]=[N-])[C@@H]1[C@@H]2COC[C@@H]21 2319376435 JEGMYXPPFNUBFQ-UTINFBMNSA-N 254.290 0.710 10 10 CCCE N[C@H]1C[C@@H]2C[C@H]1C[C@H]2NC(=O)c1cc(O)nc(O)c1 2329593002 OJOJJUIZIBZCLI-ZRUAGYDASA-N 263.297 0.348 10 10 CCCE C[C@H](N)[C@@H](C)C(=O)N1CCc2cc(O)c(O)cc2C1 2341194542 VCCUJUSBTDXWBO-BDAKNGLRSA-N 264.325 0.966 10 10 CCCE CNCC[C@@H](O)CN(C)c1ccc2c(c1)OCCO2 76374632 RNFPXUSBDTXLDS-GFCCVEGCSA-N 266.341 0.864 10 10 CCCE [N-]=[N+]=NCCCN1CCOC[C@@H]1C(=O)NC1CC1 131287767 QQEOYHCWZFPWRH-SNVBAGLBSA-N 253.306 0.666 10 10 CCCE NC(=O)CC1CCN(CC(=O)Nc2ccc(N)cc2)CC1 42427199 KYABNBRHGIXICE-UHFFFAOYSA-N 290.367 0.795 10 10 CCCE CNC(=O)[C@@H](C)CN(C)Cc1cc(N)ccc1O 234360985 PVHVNGSTARXJIA-VIFPVBQESA-N 251.330 0.788 10 10 CCCE CC(=O)C(=O)COC(=O)CCOc1ccccc1C(N)=O 808522885 GTITYGCTWNQWBA-UHFFFAOYSA-N 293.275 0.256 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)[C@H]2CCn3ncnc3C2)C1 2165278833 YBQOFOZAOCZWBJ-UWVGGRQHSA-N 275.316 0.999 10 10 CCCE C[C@@H](C1CNC1)N(C)C(=O)c1cc(O)c(O)c(O)c1 2132413327 MCIPTVAKLKKZQO-ZETCQYMHSA-N 266.297 0.483 10 10 CCCE CCCN(CC(N)=O)c1cc2c(cc1Cl)[C@H](N)C(=O)N2 723169583 QUGOIJIRMNFTKR-LBPRGKRZSA-N 296.758 0.994 10 10 CCCE Cc1ccc(C(=O)O[C@@H]2CCCNC2=O)c(O)c1O 767317286 IIPQDLXINPFGDR-SECBINFHSA-N 265.265 0.842 10 10 CCCE Oc1cccc(Cl)c1CN1C[C@@H](O)C[C@@H](O)C1 769562713 DMHPFGIDQIJUEI-DTORHVGOSA-N 257.717 0.973 10 10 CCCE C[C@](O)(CO)CNCc1ccc(Br)cc1O 691461540 IZFSQOPGTZZBIR-LLVKDONJSA-N 290.157 0.988 10 10 CCCE Nc1cccc(C(=O)O)c1N[C@H]1CCNC[C@H]1CO 1876463896 WMGAXQGHLKUXDJ-KWQFWETISA-N 265.313 0.349 10 10 CCCE Cc1cc(NS(=O)(=O)c2c[nH][nH]c2=N)c(C)cc1O 1876536139 CDGQFXZKGOOYGS-UHFFFAOYSA-N 282.325 0.946 10 10 CCCE Nc1ccc(OCCN2CCO[C@H]3COC[C@@H]32)cc1 1877660062 RJORHWWNYHAFLB-KBPBESRZSA-N 264.325 0.747 10 10 CCCE C[C@]1(O)CCN(c2ccc(CN)cc2F)C[C@]1(C)O 1880699447 VTUXVJRASWNXPC-KBPBESRZSA-N 268.332 0.997 10 10 CCCE CC(=O)NC[C@@H]1NCCc2c1cc(O)c(O)c2O 75818897 ZRHYAXKULPFIAF-VIFPVBQESA-N 252.270 0.126 10 10 CCCE COc1ccc(O)c([C@H](N)c2nnc(C3CNC3)o2)c1 83547388 ZROJBDGKXPKDLL-NSHDSACASA-N 276.296 0.519 10 10 CCCE OC[C@H]1CN(c2ccc3c(c2)OCCO3)CCN1 84585038 FHQBYHHFJDLWEZ-SNVBAGLBSA-N 250.298 0.228 10 10 CCCE C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)N1CC(N=[N+]=[N-])C1 1885562510 HDPUMVSRNTYZNA-IONNQARKSA-N 299.331 0.782 10 10 CCCE CN(C)c1ccc(CN(CCO)CC(=O)O)cc1 1963325594 VCCGRQHPACDKHJ-UHFFFAOYSA-N 252.314 0.632 10 10 CCCE C[C@H](O)c1ccc(N2CCN(C)[C@@H](CO)C2)cc1 687591761 MXOGCWDODZADGB-SMDDNHRTSA-N 250.342 0.853 10 10 CCCE COc1cc(N2CC(C)(C(N)=O)C2)c([N+](=O)[O-])cc1OC 1326753860 ZFGRQXNCMAVHDZ-UHFFFAOYSA-N 295.295 0.924 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN1C(=O)N[C@@H]1CCS(=O)(=O)C1 1893244144 UIOQKTBNVJPYKD-RKDXNWHRSA-N 287.345 0.658 10 10 CCCE CN(C)[C@H]1CCN(C[C@H](O)COc2ccc(N)cc2)C1 62963838 UNTSTQQFGGIEFX-KBPBESRZSA-N 279.384 0.644 10 10 CCCE NC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1ccc(O)c(O)c1 2117476228 UNKVDYRAGROJQP-BDAKNGLRSA-N 264.281 0.482 10 10 CCCE O=C(NCc1cc(O)ccc1O)[C@@H]1CCc2nncn2C1 1471661886 GJFSIGGUQAXPAF-SECBINFHSA-N 288.307 0.568 10 10 CCCE Oc1c(F)cccc1CN[C@@]12CC[C@@H](C1)[C@H](O)[C@H]2O 2120394412 LKMNOUYSMMKEHN-IOEYQFCTSA-N 267.300 0.895 10 10 CCCE CO[C@H]1COC[C@@H]1NS(=O)(=O)Cc1ccc(N)cc1 2120777953 ZAQSUMZPFWSBHO-RYUDHWBXSA-N 286.353 0.102 10 10 CCCE CC1(C)CN(c2ccc3c(c2)OCO3)[C@@H](CO)CN1 217093206 QZESNQQMJBAQSF-LLVKDONJSA-N 264.325 0.964 10 10 CCCE COC(=O)[C@@]1(NC(=O)c2cccc(O)c2O)CCOC1 1630931818 SJAJKXILXZJWPR-CYBMUJFWSA-N 281.264 0.160 10 10 CCCE CC1(C)[C@@H](NC(=O)Cc2ccc(O)c(O)c2)C[C@H]1O 1634567769 VGWRPNIZDPVPJR-NWDGAFQWSA-N 265.309 0.916 10 10 CCCE N[C@@H]1CCCc2cc(N3C[C@@H](O)C[C@@H](O)C3)ccc21 2128271936 PYUUFOWVLUJDNF-VNHYZAJKSA-N 262.353 0.955 10 10 CCCE Nc1ccc(-n2nccc2NS(N)(=O)=O)cc1 163348032 ULZQYWLYMJMLLO-UHFFFAOYSA-N 253.287 0.070 10 10 CCCE CC(F)(F)[C@H](NC(=O)c1ccc(O)c(O)c1)C(=O)O 2128395631 BFLYIWJIQWGHRF-MRVPVSSYSA-N 275.207 0.936 10 10 CCCE OC[C@H](O)C1(NCc2cc3c(cc2O)OCO3)CC1 2133593684 GONPJIDVXOMIGP-LBPRGKRZSA-N 267.281 0.096 10 10 CCCE CCO[C@@H]1CNCC[C@]1(NCCCN=[N+]=[N-])C(=O)OC 1912158605 YRGJYKYZWLEXJB-ZYHUDNBSSA-N 285.348 0.587 10 10 CCCE CCOC(=O)NS(=O)(=O)N1CCC[C@@H](CN=[N+]=[N-])C1 1912177829 KUVGAGBXWPOZTO-QMMMGPOBSA-N 291.333 1.000 10 10 CCCE CC(C)(C)n1nnc(C(=O)N2CC[C@@H](N=[N+]=[N-])C2)n1 1912185400 PGEKPAPCERQTAQ-SSDOTTSWSA-N 264.293 0.953 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C1 1912178142 LXALHCAYKMEHNV-VHSXEESVSA-N 280.332 0.936 10 10 CCCE CSC[C@](C)(O)CNC(=O)c1ccc(O)c(O)c1 226997960 RJCYZNIYAHWDBY-GFCCVEGCSA-N 271.338 0.942 10 10 CCCE CN(C)[C@@H]1COC[C@@H]1NCc1cc2c(cc1O)OCO2 1921992778 SSBKMQYTFASCHZ-WDEREUQCSA-N 280.324 0.540 10 10 CCCE COc1cc(N(C)Cc2ncnn2C)ccc1CN 2139687508 NGDVVCKBEXKFQW-UHFFFAOYSA-N 261.329 0.919 10 10 CCCE COc1cc(N(C)[C@H]2CC(=O)N(C)C2)ccc1CN 2139697878 AWKWWECDCLALEM-LBPRGKRZSA-N 263.341 0.821 10 10 CCCE CNCc1ccc(N2CCO[C@H](CO)C2)cc1OC 2139696354 GSKQFGZHJJAYGG-ZDUSSCGKSA-N 266.341 0.612 10 10 CCCE O=C(O)[C@H]1C[C@H](O)CN(Cc2ccc(O)c(O)c2)C1 2136337173 OMNOODAVUOZYFT-UWVGGRQHSA-N 267.281 0.365 10 10 CCCE COc1cc(N2CC[C@H](OCCO)C2)ccc1CO 2139703659 BFLHFXLFNBKLIP-ZDUSSCGKSA-N 267.325 0.775 10 10 CCCE CN(C)[C@H]1COC[C@H]1CNC(=O)Cc1ccc(N)cc1 1924640410 AHKAUNXHJNYLNU-OCCSQVGLSA-N 277.368 0.504 10 10 CCCE O=C(NC1CN(C(=O)C2CC2)C1)c1ccc(O)c(O)c1 1926278340 NGCAONUDJLWKSW-UHFFFAOYSA-N 276.292 0.448 10 10 CCCE CCNC(=O)C1(NC(=O)Cc2ccc(N)cc2)CC1 1967192415 OFOCNIBAGCURRA-UHFFFAOYSA-N 261.325 0.596 10 10 CCCE CC(C)(CNC(=O)[C@@H]1CNc2ccccc2N1)C(N)=O 230397961 NEGFUFRNRZCRSL-NSHDSACASA-N 276.340 0.520 10 10 CCCE N[C@@H]1C[C@@H]2C[C@H](NC(=O)c3cc(O)nc(O)c3)C[C@H]12 2137367228 BPLXGMLRGVHLRZ-MIBSWOBISA-N 263.297 0.348 10 10 CCCE CC(=O)N[C@@H]1CCN(C(=O)c2ccc(O)c(O)c2)C1 232560363 IYWTUKFUWXHPGG-SNVBAGLBSA-N 264.281 0.448 10 10 CCCE COC(=O)[C@H]1C[C@]1(N)c1cccc([N+](=O)[O-])c1O 1952763944 PPPCCLUUBDCENL-HQJQHLMTSA-N 252.226 0.647 10 10 CCCE O=S1(=O)CCN[C@H](c2cc(F)cc(F)c2O)C1 1952755207 NYBAUOCMMXDCKB-VIFPVBQESA-N 263.265 0.730 10 10 CCCE NC[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C(F)(F)F 1971984672 LNZRXVFSPIRFIR-SECBINFHSA-N 278.230 0.646 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3C[C@H]4C[C@H]3CC[C@@H]4O)ccc21 2144888715 OPWVIYPLTAYXMI-ZHMYYEFOSA-N 273.336 0.988 10 10 CCCE NC(=O)[C@@H](NC[C@@H]1CCCO1)c1ccc(O)c(O)c1 37942888 FXGVRNHRZSQQSL-CABZTGNLSA-N 266.297 0.393 10 10 CCCE Nc1cc2c(cc1N1C[C@H]3C[C@]3(CO)C1)NC(=O)CO2 2146314505 TXSVATJDOUPONX-XLKFXECMSA-N 275.308 0.418 10 10 CCCE CCN1CCO[C@H](CNC(=O)c2cccc(O)c2O)C1 166080795 YUXGMQXBQHPGIO-SNVBAGLBSA-N 280.324 0.548 10 10 CCCE C[C@H](O)c1ccc(N2C[C@@H]3OCCN(C)[C@@H]3C2)cc1O 2153983919 SYGIIABWLCLFID-ZBINZKHDSA-N 278.352 0.965 10 10 CCCE C[C@@H](N)c1ccc(N2CCOC[C@H]2C(=O)N(C)C)cc1 2155016363 FCOZXIVNTUFAQA-RISCZKNCSA-N 277.368 1.000 10 10 CCCE CN(C)c1ccc(CNC(=O)[C@@H]2CNC[C@H](O)C2)cc1 2155379517 IPBYTZRRWJHZHV-GXTWGEPZSA-N 277.368 0.339 10 10 CCCE CC1(CNC(=O)CCOc2ccc(N)cc2)OCCO1 2016967696 JDDVNARYAZYXCF-UHFFFAOYSA-N 280.324 0.917 10 10 CCCE Nc1ccc(OCC(=O)NCCN2C[C@@H]3C[C@H]3C2)cc1 2155812504 BVMJAPNHLMVWKZ-RYUDHWBXSA-N 275.352 0.716 10 10 CCCE COc1ccc(O)c(CN[C@@H]2COC[C@H]2CO)c1 2029843071 CJKMGBXTHKJGMB-ZYHUDNBSSA-N 253.298 0.498 10 10 CCCE NC1CC(CCNC(=O)c2cccc(O)c2O)C1 2031135915 LJVISRFHQYWJPZ-UHFFFAOYSA-N 250.298 0.955 10 10 CCCE CO[C@H]1C[C@@H](CO)N(C(=O)CCc2ccc(N)cc2)C1 312956807 ITFJANTZZQVMND-KBPBESRZSA-N 278.352 0.810 10 10 CCCE Nc1ccc(NC(=O)CN2C[C@@H]3C[C@H](C[C@H]3O)C2)cc1 2163561871 FNCNDSBMJAXEFC-UHIISALHSA-N 275.352 0.910 10 10 CCCE CN(CC(=O)Nc1ccc(N)cc1)C[C@H](O)C1CC1 708525144 VMFNWKTTYVRKEE-ZDUSSCGKSA-N 263.341 0.910 10 10 CCCE O=C(NCCn1cnnc1)[C@H]1CNc2ccccc2N1 381131932 HKTMQFXPUGMLGI-GFCCVEGCSA-N 272.312 0.301 10 10 CCCE CN[C@H]1CCOC[C@H]1NC(=O)c1ccc(O)c(O)c1 717198695 NDVUPAMRGMFDAT-VHSXEESVSA-N 266.297 0.205 10 10 CCCE COc1cc(Cl)cc(CNC[C@@H](O)[C@@H](C)O)c1O 717309406 TZIFGSZAFSFRCJ-GMSGAONNSA-N 275.732 0.886 10 10 CCCE Nc1ccc(OCCC(=O)N2CCS[C@@H](CO)C2)cc1 720015715 LZSOZDITDGDCJT-CYBMUJFWSA-N 296.392 0.974 10 10 CCCE 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RDQBCUKFXRWQGT-NSHDSACASA-N 288.369 0.338 10 10 CCCE CN(C)c1ccc(CN[C@@H]2CCC(=O)NC2=O)cc1 89753703 VWJBXILOEIZFJG-GFCCVEGCSA-N 261.325 0.647 10 10 CCCE COc1ccc(O)c([C@@H](C)NCCc2nnn[nH]2)c1 95247342 DBSZAAURFPIRLV-MRVPVSSYSA-N 263.301 0.807 10 10 CCCE NC1CCS(=O)(=NC(=O)c2cc(O)nc(O)c2)CC1 1916458514 MAYYBRASSAGOEH-UHFFFAOYSA-N 285.325 0.222 10 10 CCCE CCCN(c1ccc(N)cc1)S(=O)(=O)c1nc[nH]n1 2122590772 GUVIHVYBEHHOEO-UHFFFAOYSA-N 281.341 0.992 10 10 CCCE Cn1c(C(=O)NCc2ccccc2O)cnc1CN 2122997623 KFOQRPUODBQZKL-UHFFFAOYSA-N 260.297 0.514 10 10 CCCE COc1ccc(CN[C@H](C)CN(C)C(=O)C(N)=O)cc1C 1734342710 ZXRWVCLMPXGHRL-LLVKDONJSA-N 293.367 0.425 10 10 CCCE O=C(CO[C@H]1CCNC1)NCc1ccccc1O 1964338880 AZUMAWVSNKBBQR-NSHDSACASA-N 250.298 0.387 10 10 CCCE Nc1ccc(CN2CCC3(CC2)CNC(=O)N3)cc1 1964651241 CAMRIJWILKUAKM-UHFFFAOYSA-N 260.341 0.916 10 10 CCCE COc1ccc(N2CCC[C@](N)(CO)C2)cc1OC 259441514 VHIZYGORYCXOGD-CQSZACIVSA-N 266.341 0.994 10 10 CCCE CN(C)c1ccc(CNCC(=O)Nc2nc[nH]n2)cc1 1857855213 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CCCE C[C@@]1(C(N)=O)CCN(C(=O)CCc2ccc(N)cc2)C1 235408713 MARRIZIINGIXJM-OAHLLOKOSA-N 275.352 0.925 10 10 CCCE COC(=O)[C@@H]1C[C@H]1[C@@H](N)Cc1ccc(O)c(O)c1 1951700951 GNWSIYVZYLUUJD-BBBLOLIVSA-N 251.282 0.777 10 10 CCCE COc1c([C@@H](NCCCN=[N+]=[N-])C(N)=O)c(C)nn1C 158484818 GGAGNESSYKYCPI-SECBINFHSA-N 281.320 0.554 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3CCC(O)CC3)ccc21 36194064 KLAWLQWDBSEEFT-ZDUSSCGKSA-N 261.325 0.860 10 10 CCCE CCCCN(CC(N)=O)S(=O)(=O)Cc1ccc(N)cc1 42270368 VWNORJOJDYPRHO-UHFFFAOYSA-N 299.396 0.686 10 10 CCCE Nc1ccc(OCC(=O)N2CCC[C@@H](CO)C2)cc1 40305161 GQYCVCPCUMXVML-LLVKDONJSA-N 264.325 0.879 10 10 CCCE C[C@H]1C[C@H]1S(=O)(=O)NCc1cc(N)ccc1O 1999951525 CYTUAVXOOMWVLM-WRWORJQWSA-N 256.327 0.802 10 10 CCCE O=C(O)[C@@H]1C[C@H](F)CN1C(=O)Cc1ccc(O)c(O)c1 2151946148 BGUWXRJMYIGZDE-IUCAKERBSA-N 283.255 0.664 10 10 CCCE CN(C)c1ccc(CN2C(=O)NC(=O)[C@@H](F)C2=O)cc1 2160464256 YNJULNOMOALOPJ-SNVBAGLBSA-N 279.271 0.669 10 10 CCCE C[C@H](O)c1ccc(N2C[C@@H](O)[C@H](N(C)C)C2)cc1 2029438413 TZVUDGXVAYDPAJ-ZLKJLUDKSA-N 250.342 0.851 10 10 CCCE CC(C)CN(CCN)C(=O)c1cc(O)nc(O)c1 2030268469 HDMDMMQATGUNDR-UHFFFAOYSA-N 253.302 0.550 10 10 CCCE O=C(CN1C[C@H](O)[C@@H](F)C1)c1ccc(O)c(O)c1 2031928279 LYFJSAPHBRIUAC-UFBFGSQYSA-N 255.245 0.295 10 10 CCCE COC[C@H](NCc1cc(F)cc(F)c1O)C(N)=O 2034953213 LPMBTUNQHTXOAV-VIFPVBQESA-N 260.240 0.260 10 10 CCCE C[C@H](NC[C@H]1COC[C@@H]1O)c1cc(O)ccc1O 2036569048 SDIHVDHZWNHWNQ-RVBZMBCESA-N 253.298 0.756 10 10 CCCE CO[C@@H]1C[C@H](CO)N(c2ccc(CN)c(F)c2)C1 311085476 GYOVJSGPIQBOOG-VXGBXAGGSA-N 254.305 0.870 10 10 CCCE CN(C(=O)CN1C[C@H]2C[C@H]1C[C@H]2O)c1ccc(N)cc1 2172091108 ZYJOZWLMFMBHTO-DDTOSNHZSA-N 275.352 0.687 10 10 CCCE CN(C(=O)c1ccc(O)c(O)c1)[C@]1(C(=O)O)CCOC1 380982967 ZZRCWPXYNLQBND-CYBMUJFWSA-N 281.264 0.414 10 10 CCCE NCc1ccc(N2CCN(C(N)=O)CC2)c(F)c1 721770191 QZPAZDOTTKXENO-UHFFFAOYSA-N 252.293 0.485 10 10 CCCE Oc1ccc(CNCCc2cnccn2)c(O)c1O 390006561 MDALQRQQOABKQB-UHFFFAOYSA-N 261.281 0.926 10 10 CCCE Nc1ccc(CC(=O)NCCCn2cnnc2)cc1 394260198 KYZXCXIMDUPYRO-UHFFFAOYSA-N 259.313 0.609 10 10 CCCE C[C@@H](NC[C@H]1CN2CCN1CC2)c1ccc(O)cc1O 394699916 PMWBMBHMSFWVCY-NEPJUHHUSA-N 277.368 0.748 10 10 CCCE CC(=O)c1ccc(O)c(CN2CCOC[C@H](O)C2)c1 399879055 FOBQKUIHFGMWGX-CYBMUJFWSA-N 265.309 0.788 10 10 CCCE CC[C@H]1CN(S(=O)(=O)Cc2ccc(N)cc2)C[C@H]1O 399925174 HHFNOMKPDXHCEH-WCQYABFASA-N 284.381 0.801 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@@]1(O)CCCNC1 852817101 OZIXTBWSTPOSGM-CQSZACIVSA-N 264.325 0.465 10 10 CCCE CC[C@@H](C(N)=O)n1cc(COc2ccc(N)cc2)nn1 2179341120 MKZPBOBXPBURDJ-LBPRGKRZSA-N 275.312 0.876 10 10 CCCE Nc1cc2c(cc1N1CC3(CC[C@@H]3O)C1)NC(=O)CO2 2179699167 BMTDYMKOOPRFGG-LBPRGKRZSA-N 275.308 0.561 10 10 CCCE CCNCc1ccc(OCC(CO)(CO)CO)c(C)c1 2179865218 OJIVFKBVXMUOGZ-UHFFFAOYSA-N 283.368 0.447 10 10 CCCE NC(=O)NCC1CN(c2ccc(CO)c([N+](=O)[O-])c2)C1 2188574795 CPCDGECUBGOLMD-UHFFFAOYSA-N 280.284 0.192 10 10 CCCE CC(C)N(CC(=N)NO)C(=O)c1cc(O)c(O)c(O)c1 2188916111 MYIBFJMLKBZXHL-UHFFFAOYSA-N 283.284 0.610 10 10 CCCE O=C(N[C@H]1C[C@@H]2CNC[C@@H]2C1)c1cc(O)c(O)c(O)c1 2188919158 KTTARTJHGRHXAH-MYJAWHEDSA-N 278.308 0.531 10 10 CCCE COc1ccc(N2CC[C@@](C)(O)[C@@H](O)C2)c([N+](=O)[O-])c1 2197968579 UYTZDKOHTFUOEU-QWHCGFSZSA-N 282.296 0.925 10 10 CCCE NC(=O)[C@@H]1CCC[C@H]1NCc1ccc(O)cc1O 2053788093 FHSJBKJCEINSPX-GHMZBOCLSA-N 250.298 0.841 10 10 CCCE NC[C@H]1C[C@](F)(CNC(=O)COc2ccc(N)cc2)C1 2191661000 ZEFZEJBHPFLTAB-WJONMLJTSA-N 281.331 0.841 10 10 CCCE NC[C@@H](CNC(=O)COc1ccc(N)cc1)C(F)(F)F 2191747671 MAFNZDJFMFSPAZ-QMMMGPOBSA-N 291.273 0.901 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1C[C@H]2CC[C@@]2(CO)C1 2198750532 SQPLESCFNBYMIC-ABAIWWIYSA-N 277.320 0.871 10 10 CCCE O=C(N[C@@H](CO)C[C@H]1CCOC1)c1ccc(O)c(O)c1 2195453671 BJHAJRFBHJVFCE-MWLCHTKSSA-N 281.308 0.615 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@H]2COC[C@H]21 2068622050 UFCYRZNOLAMPBW-JGVFFNPUSA-N 251.238 0.274 10 10 CCCE C[C@@H](c1ccccc1O)N(C)Cc1nc(=N)[nH]c(=N)[nH]1 2192599452 AUXQNGZTVUKYOL-QMMMGPOBSA-N 274.328 0.595 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@@H]3C[C@H](C2)N3)cc1 2071739997 ZIGVVTGXDADGCR-TXEJJXNPSA-N 267.354 0.145 10 10 CCCE C[C@H](c1nc(-c2ccc(O)c(O)c2)no1)N1CC(N)C1 2188305286 TXSQZUOQUCQTRI-SSDOTTSWSA-N 276.296 0.852 10 10 CCCE Cn1c(N)c(NCc2ccc(N)cc2)c(O)nc1=O 2105990084 SYBWHJNPWBIJNM-UHFFFAOYSA-N 261.285 0.262 10 10 CCCE C[C@@]1(N)CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 2087764552 VZRNLJHZTLJKMV-CQSZACIVSA-N 264.325 0.980 10 10 CCCE Nc1ccc(NC(=O)CCN2CC=C[C@H](O)C2)cc1 2108772911 LAMZHNPJWGLWAQ-ZDUSSCGKSA-N 261.325 0.830 10 10 CCCE C[C@H](NC(=O)Cc1ccc(N)cc1)C1CS(=O)(=O)C1 2089881245 OAAAIGQHJOQSIG-VIFPVBQESA-N 282.365 0.361 10 10 CCCE COc1cc(C(=O)N[C@H](C)CC(N)=S)cc(OC)n1 2110604589 LJTLGCDEJJJOQH-SSDOTTSWSA-N 283.353 0.893 10 10 CCCE Cn1nc(CNC2CC2)c(-c2ccn(C)c(=O)c2)n1 2111411288 LXDOOAMYGYKDQR-UHFFFAOYSA-N 259.313 0.433 10 10 CCCE O=C(NC[C@@H]1C[C@H](O)CCO1)c1ccc(O)c(O)c1 2097947304 XADTVHCOTDSUAU-ZJUUUORDSA-N 267.281 0.368 10 10 CCCE Nc1ccc(CC(=O)N2CC[C@@]3(C[C@H](O)CO3)C2)cc1 2201758781 PJKHMVDRZPDTLS-DZGCQCFKSA-N 276.336 0.564 10 10 CCCE [N-]=[N+]=N[C@H]1CCN(C[C@@H](O)CN2CCCCC2=O)C1 2113451898 HDNYSAXJRVMAGB-WDEREUQCSA-N 267.333 0.744 10 10 CCCE CN(C)C[C@@H]1COC[C@H]1Nc1c(N)cccc1C(=O)O 2206391897 ZMLIODXKMFKDNH-BXKDBHETSA-N 279.340 0.956 10 10 CCCE COc1ccc(N(CCO)C[C@H](C)O)c(OC)c1 2219590029 NQGZTMULOVVWLZ-JTQLQIEISA-N 255.314 0.883 10 10 CCCE Nc1ccc(NC(=O)N2C[C@@H]3CN[C@@H](CO)[C@H]3C2)cc1 2235567694 RGXYXWUDMILFRS-XDTLVQLUSA-N 276.340 0.313 10 10 CCCE CNCc1cc(OC)ccc1N1CC(CC(=O)NC)C1 2235969390 DCJHCUSIVORGQF-UHFFFAOYSA-N 277.368 0.987 10 10 CCCE COCc1nc(Cn2ccc3c(c2=O)CNCC3)no1 2236663163 LKXLLXKZVPLVPH-UHFFFAOYSA-N 276.296 0.072 10 10 CCCE CN1C(=O)[C@@H](O)c2ccc(N3C[C@@H]4C[C@H](C3)[C@@H]4O)cc21 2286229107 RBMNSELBYHBVGS-DZLLMUEISA-N 274.320 0.513 10 10 CCCE Cc1cccc(CNC(=O)c2nc(CN)no2)c1O 2270155347 AHCWWKGWBOQVFT-UHFFFAOYSA-N 262.269 0.472 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N3CC[C@H](O)[C@@H]3C)ccc21 2273221591 CBDBHVSHFJABRJ-AQUOVQTQSA-N 261.325 0.859 10 10 CCCE CN(C)c1ccc(OC[C@H]2COCC3(CNC3)O2)cc1 2279192103 NKOPMMDEDKNAEN-CQSZACIVSA-N 278.352 0.889 10 10 CCCE OCc1ccc(N2C[C@@H]3OC[C@H](CO)O[C@@H]3C2)c(F)c1 2279783033 XAYMUZTXOXCTAL-LEWSCRJBSA-N 283.299 0.283 10 10 CCCE Nc1cc2c(cc1N1CC[C@]3(O)C[C@@H]3C1)NC(=O)CO2 2279956010 JUMRZLZTNLOEPW-CLAHSXSESA-N 275.308 0.561 10 10 CCCE COc1ccc(N2CCOC[C@@H]2[C@@H](O)CO)c(C)c1C 2284604146 DIKIEZVUMMZUBW-KGLIPLIRSA-N 281.352 0.870 10 10 CCCE COc1ccc(NC=C2C(=O)NC(=O)N(C)C2=O)cc1 2297314391 LKVKXJNXEGWZDS-UHFFFAOYSA-N 275.264 0.699 10 10 CCCE CSc1ncc(CNC(=O)CCNCCO)s1 2303194117 AESHHNNBUKIPBJ-UHFFFAOYSA-N 275.399 0.453 10 10 CCCE CS(=O)(=O)[C@@H]1CC[C@@H]1NCc1ccc(N)cc1 2303170075 CFFHXZJOSKXSOJ-NWDGAFQWSA-N 254.355 0.934 10 10 CCCE NCc1ccc(N2C[C@@H]3[C@H](C2)CS3(=O)=O)c(F)c1 2314792420 ZITCNMMYAGBVLE-BXKDBHETSA-N 270.329 0.518 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)C[C@@]23CC[C@@H](C2)NC3)C1 2318203997 TXCPDDFHTMLMKD-AYGWYOGXSA-N 250.342 0.784 10 10 CCCE Cc1cncc([C@](C)(NCCCN=[N+]=[N-])C(N)=O)n1 2337823622 ARFQLRUFGHGAHY-NSHDSACASA-N 263.305 0.776 10 10 CCCE CC(C)NCC(=O)N1CCc2cc(O)c(O)cc2C1 2341146510 XOWLLENWYIHIMD-UHFFFAOYSA-N 264.325 0.981 10 10 CCCE CN(C)C(=O)CCN1CCc2cc(O)c(O)cc2C1 2341213872 HXVNTOABWNUPCQ-UHFFFAOYSA-N 264.325 0.934 10 10 CCCE [N-]=[N+]=NCCN1CC(CNC(=O)C(F)(F)F)C1 1953342257 ZQIXVNBBNSTSON-UHFFFAOYSA-N 251.212 0.907 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3CC[C@@H](O)[C@H]3C3CC3)ccc21 2356281024 ILCORVIKDZFDJZ-MGPQQGTHSA-N 273.336 0.988 10 10 CCCE C[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCCCO 170245236 YMLFDSFRJQUIMB-VIFPVBQESA-N 253.298 0.775 10 10 CCCE N[C@@H](CO)c1cc(F)c(O)c(Br)c1O 218231677 RQPKLOUYMUMJIZ-YFKPBYRVSA-N 266.066 0.992 10 10 CCCE CNCCCC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 40486868 AOAJFKCQQGLSPS-SNVBAGLBSA-N 296.323 0.209 10 10 CCCE O=C(NCC1(C(=O)O)CCC1)c1cc(O)nc(O)c1 138518991 XNTUJDIZDZEWED-UHFFFAOYSA-N 266.253 0.478 10 10 CCCE COc1ccc([C@@H](C)NCCNC(N)=O)c(O)c1 132479040 JRCYKKBPEGRHEJ-MRVPVSSYSA-N 253.302 0.720 10 10 CCCE CO[C@@H](CN)C(=O)N(C)[C@H](C)c1ccccc1O 227369234 SFRHZLOXJBGUOZ-SKDRFNHKSA-N 252.314 0.885 10 10 CCCE CC(=O)N[C@@H]1CCN([C@H](C)C(=O)Nc2ccc(N)cc2)C1 252800663 XVMILYXXOPVLBJ-QMTHXVAHSA-N 290.367 0.806 10 10 CCCE Oc1cc2c(cc1CN1CCN3CCOC[C@H]3C1)OCO2 368813463 GVBSYXTYNDYMMB-GFCCVEGCSA-N 292.335 0.637 10 10 CCCE Nc1ccc(OCCNC(=O)[C@@H]2[C@H]3COC[C@H]32)cc1 386002978 SOZJJFQJUGQCLL-ITGUQSILSA-N 262.309 0.656 10 10 CCCE CN(Cc1ccc(N)cc1)S(=O)(=O)C1CC(C(=O)O)C1 2162679418 UBOMZUZZFHYFHO-UHFFFAOYSA-N 298.364 0.894 10 10 CCCE CC(=O)C(=O)COC(=O)c1ccc(-c2ncn(C)n2)cc1 808535362 JJIABSCWMFALHW-UHFFFAOYSA-N 287.275 0.797 10 10 CCCE O=C(NC[C@@H]1CCCOC1)c1cc(O)c(O)c(O)c1 2132350818 QVLPFMKGQREMEP-QMMMGPOBSA-N 267.281 0.960 10 10 CCCE CN(C)CC1CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2132350156 LFKXZACWAUHWGZ-UHFFFAOYSA-N 266.297 0.437 10 10 CCCE C[C@H]1CNC[C@@H]1CNC(=O)c1cc(O)c(O)c(O)c1 2132409640 HGKCZBFXEADAJB-IONNQARKSA-N 266.297 0.389 10 10 CCCE COC(=O)[C@@H]1OCC[C@@H]1NCc1cccc(OC)c1O 826967456 SMRPPBSMRXXPHF-GXFFZTMASA-N 281.308 0.821 10 10 CCCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H]1CCNC1=O 907276014 YMIKSERLFWNZPB-MWLCHTKSSA-N 292.335 0.671 10 10 CCCE Nc1ccc(CC(=O)NC[C@@H]2CN(C3CC3)C(=O)O2)cc1 848442680 LQWHLSXUTVYENX-CYBMUJFWSA-N 289.335 0.911 10 10 CCCE COc1ccc(N2CC[C@@H](NC(=O)CN(C)C)C2)cc1 855229624 KSRUFKQPCOSGIG-GFCCVEGCSA-N 277.368 0.952 10 10 CCCE COC[C@@H](CCNC(=O)C(=O)Nc1ccc(N)cc1)OC 850831817 GCDFMUASNKSWEZ-GFCCVEGCSA-N 295.339 0.375 10 10 CCCE CN1CC2(CN(C(=O)c3cc(O)cs3)C2)OC1=O 854960872 INIGIOYMJXFIGH-UHFFFAOYSA-N 268.294 0.730 10 10 CCCE C[C@H]1CNCCN1c1cc2c(cc1N)OCC(=O)N2 1876304929 UYEGLRGKFDVBKW-QMMMGPOBSA-N 262.313 0.398 10 10 CCCE C[C@@H](CCN)NS(=O)(=O)CCOc1ccc(N)cc1 1876412156 ZMNKCXDZDMBWHX-JTQLQIEISA-N 287.385 0.304 10 10 CCCE CC[C@H](C)[C@H](N)C(=O)NCc1ccc(O)c(O)c1O 83497243 ROJJUJYRKRWFLE-XVKPBYJWSA-N 268.313 0.793 10 10 CCCE Nc1ccc(CC(=O)Nc2[nH]ncc2C(=O)O)cc1 169819356 KNXQIPZCCMCKTN-UHFFFAOYSA-N 260.253 0.871 10 10 CCCE CCN1CC[C@H](NCc2ccc(O)cc2O)C1=O 708664469 BWXYCRRNNHUJNT-NSHDSACASA-N 250.298 0.808 10 10 CCCE Cc1cc(CN)ccc1N1CC[C@](O)(CN(C)C)C1 713655334 OGCTXYULFKKDII-HNNXBMFYSA-N 263.385 0.957 10 10 CCCE COc1ccc(CN2C[C@@H](OC)[C@H](C(=O)O)C2)c(O)c1 690097369 XDRMLBULMHFOAO-DGCLKSJQSA-N 281.308 0.932 10 10 CCCE Nc1ccc(NC(=O)N[C@@H]2CCCS(=O)(=O)C2)cc1 69145164 RRAIITDESRLQFE-LLVKDONJSA-N 283.353 0.968 10 10 CCCE C[C@]1(CO)C[C@@H](O)CN1C(=O)CCc1ccc(N)cc1 698172616 QBBXFJMFIIPEAB-UKRRQHHQSA-N 278.352 0.546 10 10 CCCE CNC(=O)[C@H]1CNCCN1[C@H](C)c1cc(O)ccc1O 89082439 XVUSKOHHAJUWJE-BXKDBHETSA-N 279.340 0.179 10 10 CCCE C[C@H](NCc1ccc2c(c1)CCN2C)[C@H](O)CO 698985495 MRSSDAGIHSTSQL-IINYFYTJSA-N 250.342 0.510 10 10 CCCE NC[C@H]1C[C@H]2CC[C@H]1N2C(=O)c1cc(O)nc(O)c1 2117664282 UZMSOQVBTBWJQZ-OPRDCNLKSA-N 263.297 0.445 10 10 CCCE NN[C@H](c1ccccc1O)c1cccn2cnnc12 2120555993 RSQATMIUIJNOAN-GFCCVEGCSA-N 255.281 0.988 10 10 CCCE C[C@@H]1CN(c2ccc3c(c2)OCO3)[C@H](CO)CN1 214568510 RUMYDSCRSUCPJU-KOLCDFICSA-N 250.298 0.574 10 10 CCCE COC(=O)[C@H]1C[C@@H](NC(=O)Cc2ccc(O)c(O)c2)C1 1626602508 IDYBQWHXICYLEZ-AOOOYVTPSA-N 279.292 0.708 10 10 CCCE Cc1cc(CO)ccc1N1C[C@@H]2C[C@H](C1)[C@H](O)[C@@H]2O 2126162163 PWQLJHFYJVTFAT-IKARSPCKSA-N 263.337 0.665 10 10 CCCE OC[C@@H]1CN(c2ccc3c(c2)CCC[C@H]3O)C[C@H]1O 2128277134 JZLRDEUTDUDXBK-NILFDRSVSA-N 263.337 0.846 10 10 CCCE C[C@]1(CO)C[C@H](O)CN1c1ccc2c(c1)CC[C@H]2O 2128316088 ADQSDOLOIISRHH-NWANDNLSSA-N 263.337 0.988 10 10 CCCE COC(=O)c1cccc(N)c1N[C@H]1CCNC(=O)C1 2129769308 HYPROWLINYJKIQ-QMMMGPOBSA-N 263.297 0.746 10 10 CCCE CCn1cc(S(=O)(=O)N2CC(N=[N+]=[N-])C2)nc1C 1912179372 UDGVFRPOAUMUEY-UHFFFAOYSA-N 270.318 0.895 10 10 CCCE CNC(=O)NC(=O)[C@@H](C)N1CC[C@@H](CN=[N+]=[N-])C1 1912187269 GHFQJVMHRQGTIH-SFYZADRCSA-N 254.294 0.463 10 10 CCCE CC(C)O[C@@H]1CS(=O)(=O)C[C@@H]1N1CC(N=[N+]=[N-])C1 1912144700 XDPGDUUWOYWYKJ-VHSXEESVSA-N 274.346 0.572 10 10 CCCE CC(C)Cn1cc([C@@H](NCCCN=[N+]=[N-])C(N)=O)nn1 1912206408 JRFHUOPXUTVEAJ-SNVBAGLBSA-N 280.336 0.751 10 10 CCCE COCC1(COC)C[C@H](O)[C@H](N2CC(N=[N+]=[N-])C2)C1 2134261692 XJSUBNWYJBPRMX-MNOVXSKESA-N 270.333 0.783 10 10 CCCE Cc1nn(C)c(NCc2cc(N)ccc2O)c1C(N)=O 111350897 FJUMEGVLWXKDNS-UHFFFAOYSA-N 275.312 0.727 10 10 CCCE COc1cccc(CN[C@@H]2COC[C@@H]2N(C)C)c1O 1922048836 FXGZKMOLGWAYJN-NEPJUHHUSA-N 266.341 0.819 10 10 CCCE C[C@H](O)C[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 228120522 XXKQHYFYIXBORO-QXEWZRGKSA-N 282.340 0.243 10 10 CCCE Nc1ccc(CC(=O)NC[C@H]2CCNC(=O)C2)cc1 1969110284 QHPRTIHSJQBNAH-NSHDSACASA-N 261.325 0.454 10 10 CCCE CCCOCCN(CC(N)=O)Cc1ccc(N)cc1 233230755 XZRPTBKHINSNDQ-UHFFFAOYSA-N 265.357 0.983 10 10 CCCE N[C@@H]1CC[C@H]2C[C@]21C(=O)NCCc1ccc(O)c(O)c1 1968738531 ARXCASDLBPOVNF-ZBINZKHDSA-N 276.336 0.884 10 10 CCCE Cc1cccc(CNC[C@H]2CCS2(=O)=O)c1O 1945535402 VXVJPRTZCKCCNI-LLVKDONJSA-N 255.339 0.977 10 10 CCCE Cc1c([C@@H](N)[C@H](O)c2ccc(N(C)C)cc2)nnn1C 2150645387 FTYHFMJPKTZHGJ-TZMCWYRMSA-N 275.356 0.923 10 10 CCCE Nc1ccc(C[C@@H](O)[C@@H]2CCCS2(=O)=O)cc1 1950546746 DVIOWNYXEPGCEF-NEPJUHHUSA-N 255.339 0.749 10 10 CCCE COC(=O)CCCC(=O)[C@H](N)Cc1ccc(O)c(O)c1 1951692943 HRZUPXIRIBWFGL-SNVBAGLBSA-N 281.308 0.880 10 10 CCCE CCOC(=O)[C@@H]1CNC[C@H]1c1ccc(O)c(O)c1O 1951667014 ZFJICVUTPHTAAM-DTWKUNHWSA-N 267.281 0.670 10 10 CCCE CN(C)Cc1cc([C@H]2CS(=O)(=O)NCCN2)ccc1O 1952787898 VCUNOAIPHNHXLF-GFCCVEGCSA-N 299.396 0.018 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CC[C@H](CCO)C3)ccc21 253367453 VFXPHWRFUXJQPB-RNCFNFMXSA-N 261.325 0.847 10 10 CCCE NC(=O)CO[C@@H]1CCN(CCCc2ccc(N)cc2)C1 2145371888 PPPQUNXTIBIAFB-CQSZACIVSA-N 277.368 0.778 10 10 CCCE OCc1ccc(N2C[C@@]3(CO)CC[C@]3(CO)C2)c(F)c1 2145747092 WYMVPWAMQJUDLR-HUUCEWRRSA-N 281.327 0.889 10 10 CCCE Nc1ccc(CCC(=O)OC[C@@H]2CCS(=O)(=O)N2)cc1 2146192952 SYQBWASFEQSUQM-LBPRGKRZSA-N 298.364 0.436 10 10 CCCE CCN(CC(=O)N(C)C)C(=O)COc1ccc(N)cc1 40305120 TYOSTNBJQZFKGD-UHFFFAOYSA-N 279.340 0.584 10 10 CCCE CO[C@@H]1CN(C)C[C@@H]1NC(=O)CCc1ccc(N)cc1 2151784563 MMKRXMHEBSLLJC-UONOGXRCSA-N 277.368 0.647 10 10 CCCE COc1ccc(N2C[C@H]3C[C@@]2(CO)CO3)c(N)c1 2033611937 VUWVRSSIXPBSPE-ZWNOBZJWSA-N 250.298 0.617 10 10 CCCE Cc1cc(CN)ccc1N1CCOC[C@@H](CO)C1 2036934631 YBQJKXWYNNFJFJ-CYBMUJFWSA-N 250.342 0.899 10 10 CCCE Cn1c(-c2ccc(O)c(O)c2)nnc1N1CCNCC1 405282851 DEKNAOPNEUAJBN-UHFFFAOYSA-N 275.312 0.303 10 10 CCCE C[C@H](N)c1ccc(N2CC[C@@](O)(C(N)=O)C2)cc1Cl 311423912 LGRPIUSNRACNFS-SDBXPKJASA-N 283.759 0.786 10 10 CCCE C[C@@H](N)c1ccc(N2CCC[C@](O)(C(N)=O)C2)c(F)c1 312699629 RJCWSQGCBJYWDR-YMTOWFKASA-N 281.331 0.662 10 10 CCCE COc1ccc([C@H](C)N[C@@H]2COC[C@@H]2O)c(O)c1 323316781 SMVDYVRSIHWUNW-KDDOJWQBSA-N 253.298 0.811 10 10 CCCE CN(C)c1ccc([C@H](NN)[C@@H]2CN3CCN2CC3)cc1 2163130176 FNQKZUOOONLVTR-GJZGRUSLSA-N 275.400 0.257 10 10 CCCE OCCN[C@H]1CCCN(Cc2ccc(O)cc2O)C1 708627009 REZFSHPIYCCWIB-LBPRGKRZSA-N 266.341 0.644 10 10 CCCE CC(C)(C)[C@H](N)CNC(=O)c1cc(O)nc(O)c1 721629215 CKIQAGVHUFHJBF-MRVPVSSYSA-N 253.302 0.596 10 10 CCCE C[C@@H]1OCCN[C@H]1C(=O)N(C)Cc1ccccc1O 380845319 QPNGWODQKBMDCA-GXFFZTMASA-N 264.325 0.728 10 10 CCCE Cn1ccnc1NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 382368233 CWRLDQSECPANHL-VIFPVBQESA-N 276.296 0.340 10 10 CCCE Nc1ccc(CC[C@H](O)CC2CS(=O)(=O)C2)cc1 722768723 NEGYTCOUOBERRI-ZDUSSCGKSA-N 269.366 0.997 10 10 CCCE Oc1ccc(F)cc1CNCCCc1nn[nH]n1 392645791 MNKOQSWGZIQBDP-UHFFFAOYSA-N 251.265 0.767 10 10 CCCE CC(C)C(=O)NCCNC(=O)c1ccc(O)c(O)c1 393178424 ZIDLRDSKGWAUEV-UHFFFAOYSA-N 266.297 0.600 10 10 CCCE Oc1ccc(F)cc1CNC[C@@H]1CN2CCN1CC2 394730495 FMOWSHYVPBWEML-CYBMUJFWSA-N 265.332 0.621 10 10 CCCE NC(=O)CC[S@@](=O)CCC(=O)Nc1ccc(N)cc1 399399889 GDOZOUOLUOGORQ-LJQANCHMSA-N 283.353 0.222 10 10 CCCE CN1CCc2cc(CN3CCOCC34CNC4)ccc21 2167624095 KFHKGZKNDWZLTG-UHFFFAOYSA-N 273.380 0.853 10 10 CCCE C[C@@H]1CNC(=O)CN1C(=O)CCOc1ccc(N)cc1 2181166500 APLOJIFWBWPRLE-SNVBAGLBSA-N 277.324 0.385 10 10 CCCE CO[C@@H]1COC[C@@H]1N(C)c1ccc2c(c1)NC(=O)[C@H]2O 2177265566 FEDGRQRGVQOSSQ-XQQFMLRXSA-N 278.308 0.522 10 10 CCCE COCC(=O)N1CCN(c2ccc(OC)cc2N)CC1 2182583684 SYWTWMOQBGHHNH-UHFFFAOYSA-N 279.340 0.572 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N3CC4(C=CCO4)C3)cc21 2183724622 KMTPNAKUGBKEIW-ZDUSSCGKSA-N 271.320 0.808 10 10 CCCE NC(=O)COC1CN(c2ccc3c(c2)CCC[C@H]3O)C1 2184680256 QLHQRDUCCHMHQP-CQSZACIVSA-N 276.336 0.747 10 10 CCCE COC[C@@H](CCO)NCc1c(O)cccc1OC 2042569056 IYKRYHIEEUEDEW-SNVBAGLBSA-N 255.314 0.888 10 10 CCCE O=S(=O)(Nc1ccc(O)cc1)N1CCC[C@H]1CO 2043632222 SSXDEZDJMJNVKM-JTQLQIEISA-N 272.326 0.506 10 10 CCCE COC(=O)CC[C@H](O)CNCc1ccccc1O 2043793481 DPOVMKBEGMNSEI-NSHDSACASA-N 253.298 0.796 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)[C@@]23CCC[C@H]2NCC3)C1 2049786752 PMTARZPLSPSDMN-BGOOENEXSA-N 250.342 0.784 10 10 CCCE CN1CCc2cc([C@](C)(O)CS(C)(=O)=O)ccc21 2050962182 UVCFAIYVSHLGCU-CYBMUJFWSA-N 269.366 0.931 10 10 CCCE Nc1ccc(-n2ccc(C(=O)N3CC[C@H](N)C3)n2)cc1 2191671971 RLKVWDQJXJPEKW-NSHDSACASA-N 271.324 0.628 10 10 CCCE Nc1ccc(OCCS(=O)(=O)NC[C@@H]2CCNC2)cc1 2191644372 KFDPGFIIWAOHSI-LLVKDONJSA-N 299.396 0.177 10 10 CCCE CO[C@H]1C[C@@H](CN)N(c2cc3c(cc2N)OCCO3)C1 2191607429 UMCHISNLBWULFY-UWVGGRQHSA-N 279.340 0.592 10 10 CCCE CN1CCc2cc(CN3C[C@@H](O)CC34CNC4)ccc21 2186612687 AKBVVNYXOKPXFS-AWEZNQCLSA-N 273.380 0.588 10 10 CCCE NCC1CC2(CCN2C(=O)COc2ccc(N)cc2)C1 2191888439 PGXTWQZEZLRDAS-UHFFFAOYSA-N 275.352 0.987 10 10 CCCE C[C@@H](N)c1ccc(N2C[C@@H]3C[C@H]2CN3C(N)=O)cc1O 2192286158 OREYZEXSLFCQET-MIMYLULJSA-N 276.340 0.754 10 10 CCCE C[C@H](O)[C@@H]1CCN1S(=O)(=O)Cc1ccc(N)cc1 2061818767 SUGSDYFYIWCCGW-CABZTGNLSA-N 270.354 0.554 10 10 CCCE Nc1ccc(OCCS(=O)(=O)N[C@H]2C[C@H]2F)cc1 2068066287 MLWNVNYLTYDANN-MNOVXSKESA-N 274.317 0.677 10 10 CCCE CN(C(=O)c1cc(O)c(O)c(O)c1)[C@@H]1CCOC1 2068576480 IZUMXGPTRLAXKJ-MRVPVSSYSA-N 253.254 0.664 10 10 CCCE COC[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)CCO1 2188868828 XOVJVYVIFJGBDY-VIFPVBQESA-N 283.280 0.291 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H]2C[C@H](C1)O2 2077833011 NHJSYALAWHFAMA-OCAPTIKFSA-N 251.238 0.417 10 10 CCCE N[C@@H]1CN(C(=O)c2cccc(O)c2O)C[C@H]1C(F)F 2102479632 NJUIGDPQZCHLSC-HTQZYQBOSA-N 272.251 0.762 10 10 CCCE COC[C@@](O)(CO)CNCc1ccc(N(C)C)cc1 2102400484 ZCUXOMZCNYXDPY-AWEZNQCLSA-N 268.357 0.212 10 10 CCCE O=C(N[C@H]1C[C@H]2C[C@H]1C[C@H]2O)c1ccc(O)c(O)c1 2104409517 YMHXOMPPXVNVSC-MIZYBKAJSA-N 263.293 0.987 10 10 CCCE C[C@H]1CN(S(=O)(=O)Nc2ccc(O)cc2)C[C@H](C)N1 2104958924 BVTWQALSDWAMIM-UWVGGRQHSA-N 285.369 0.731 10 10 CCCE NCC1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 2087730412 YGJAGBFPILZZDB-UHFFFAOYSA-N 264.325 0.838 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1C[C@H]2C[C@H]1CC[C@@H]2O 2088643099 DDNDEMSALDEAJL-BBBLOLIVSA-N 264.281 0.478 10 10 CCCE CN1CCN(CCCc2ccc(N)cc2)C[C@H]1CO 2090610723 UWVIGKWMCAWUNH-HNNXBMFYSA-N 263.385 0.810 10 10 CCCE CN(C)C[C@H]1COCCN1Cc1cc(N)ccc1O 2096922065 VAKHDSUQJKYVED-ZDUSSCGKSA-N 265.357 0.737 10 10 CCCE CCn1nncc1S(=O)(=O)NCc1cccc(C)c1O 2204611982 ZKELMNPFVUAWGO-UHFFFAOYSA-N 296.352 0.791 10 10 CCCE NC(=O)C[C@@H]1CCCN1C(=O)c1cccc(O)c1O 2270072534 ZJBXMYMPMRRXHX-QMMMGPOBSA-N 264.281 0.578 10 10 CCCE OC[C@@H]1[C@@H](O)[C@@H](O)CN1c1ccc(OC(F)(F)F)cc1 2234896480 BUFZMKQSLLJRRJ-OUAUKWLOSA-N 293.241 0.488 10 10 CCCE CC[C@@H]1C(=O)NC(=O)CN1c1ccc(OC)cc1C=O 2235992062 JSEKVQLRPNQWCY-LLVKDONJSA-N 276.292 0.749 10 10 CCCE COc1ccc(N2CC[C@H](NS(C)(=O)=O)C2)c(C=O)c1 2235988102 JLNQTCAVOIWEIM-NSHDSACASA-N 298.364 0.636 10 10 CCCE Nc1ccc(N2CCN(C[C@@H]3CNC(=O)C3)C2=O)cc1 2236798210 CYIBINIEIQKFGQ-JTQLQIEISA-N 274.324 0.647 10 10 CCCE Cc1cc(N2CCN3C(=O)COC[C@H]3C2)ccc1CN 2236933870 HCTWKTNEQBOUIF-CQSZACIVSA-N 275.352 0.501 10 10 CCCE CCNC(=O)CN(C)c1ccc(OC)cc1CNC 2227683370 VOLXNHPJTXRCSW-UHFFFAOYSA-N 265.357 0.987 10 10 CCCE C[C@@H]1CN(CCNCc2ccc(O)c(O)c2O)C(=O)N1 2239302768 XWUNQMDTBLKKJZ-MRVPVSSYSA-N 281.312 0.307 10 10 CCCE Cc1cc([C@@H](C)N)ccc1N1CC2(C1)OC[C@@H](O)[C@H]2O 2240743994 MJIKWCYGUFGBFZ-LERXQTSPSA-N 278.352 0.326 10 10 CCCE Nc1ccc(CCN2CC[C@H](O)[C@H](O)CC2)cc1 2256978515 VKQSQWAIPONCAW-OKILXGFUSA-N 250.342 0.629 10 10 CCCE Cc1cc(N2CC[C@H](O)[C@H](O)C2)ccc1[C@H](C)N 2257458772 KEOODFDGGBLKPJ-LEWSCRJBSA-N 250.342 0.947 10 10 CCCE COc1cc(OC)c(N2C[C@H](O)C[C@H]2CN)c(OC)c1 2287137845 UXVBZPCRZRTEGQ-VHSXEESVSA-N 282.340 0.611 10 10 CCCE CCN(CCN=[N+]=[N-])CC(=O)NC(=O)NC(C)C 2315987843 ATCRUXFZFKMEJY-UHFFFAOYSA-N 256.310 0.853 10 10 CCCE Cc1cc(N2[C@H]3CC[C@@H]2C[C@H](O)[C@@H]3O)ccc1CO 2331964011 CATVVNRULJMCMC-CBBWQLFWSA-N 263.337 0.950 10 10 CCCE CN(C(=O)COC[C@@H]1CCN1C)c1ccc(N)cc1 2335348051 CCPMPCAQZIXVBW-ZDUSSCGKSA-N 263.341 0.952 10 10 CCCE CN1C(=O)[C@H]2C[C@H]1CCN2Cc1cc(N)ccc1O 2335677553 NNLILAJCEADUBO-VXGBXAGGSA-N 261.325 0.779 10 10 CCCE N[C@@H]1CCc2cc(N3C[C@@H]4CS(=O)(=O)[C@H]4C3)ccc21 2336473378 MFXUHLPBSSQQPR-HONMWMINSA-N 278.377 0.866 10 10 CCCE C[C@@H]1CC(NCCN=[N+]=[N-])(C(=O)O)C[C@@H](C)S1(=O)=O 2352679122 KDAHUFYJEJKZKQ-HTQZYQBOSA-N 290.345 0.695 10 10 CCCE Nc1ccc(OCC(=O)N[C@H]2C[C@@H](CO)[C@@H]3C[C@H]23)cc1 2354928811 UBJJVTAQMQZPHH-HBEIAFGSSA-N 276.336 0.781 10 10 CCCE CO[C@@H]1C[C@H](CO)N(c2ccc(CN)cc2F)C1 311121005 OQLIQFNHLSIUMQ-GHMZBOCLSA-N 254.305 0.870 10 10 CCCE C[C@H](C[S@](C)=O)NCc1ccc(O)c(O)c1O 235463649 XHISTVDXGPNVGV-GJEGPGMTSA-N 259.327 0.660 10 10 CCCE NC[C@@H]1CCC[C@@H]1NC(=O)c1cccc(O)c1O 125945865 TZMRSDKVMSMFES-WPRPVWTQSA-N 250.298 0.955 10 10 CCCE CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@@H](O)CN1 37807414 RCKGTMMJVWINMD-CABCVRRESA-N 291.395 0.824 10 10 CCCE COc1ccc([C@H](C)N[C@H]2CNC(=O)C2)c(O)c1 228994201 USEFGQFZWBNJIL-DTWKUNHWSA-N 250.298 0.940 10 10 CCCE C[C@@H]1CCN(S(=O)(=O)Cc2ccc(N)cc2)C[C@H]1O 299949129 AWGXIRVPQNTXEB-ZWNOBZJWSA-N 284.381 0.801 10 10 CCCE COc1ccc(O)c(CNC[C@H](C)c2nnn[nH]2)c1 95227547 SFOFQDJIBVVVIT-QMMMGPOBSA-N 263.301 0.807 10 10 CCCE COc1cc(C(=O)O)cc(CN2CCN(C)CC2)c1O 642880497 VMEDXLISWVTETJ-UHFFFAOYSA-N 280.324 0.846 10 10 CCCE Cc1c(O)nc(=O)n(CCc2ccc(O)c(O)c2)c1O 2165932763 ADJZHLKIGYVKPC-UHFFFAOYSA-N 278.264 0.617 10 10 CCCE CO[C@H](C)[C@@H](CC(=O)O)NC(=O)c1cccc(O)c1O 2165785414 HYVWVCYIBIHEMW-VXNVDRBHSA-N 283.280 0.706 10 10 CCCE Cn1ccnc1COCC(=O)NCc1ccc(O)c(O)c1 830555344 VHHMZCQFWPWHSS-UHFFFAOYSA-N 291.307 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O=C(c1ccc(O)c(O)c1)N1C[C@@H]2[C@H](CO)C[C@H]2C1 2117687759 CIBZLJLNLYVRFA-DCAQKATOSA-N 263.293 0.798 10 10 CCCE NC(=O)CNC(=O)c1cc2cc(O)c(O)cc2s1 1540737939 SQONAXJZAKBJIT-UHFFFAOYSA-N 266.278 0.528 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NC1CCOCC1 1630596625 OMJBUHDVPGLCGC-UHFFFAOYSA-N 251.282 0.936 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN1CC1(O)CCS(=O)(=O)CC1 2123016860 BLILRKMKDMPATE-SNVBAGLBSA-N 288.373 0.701 10 10 CCCE CCn1ncc(C(=O)NCc2cc(O)ccc2O)n1 1633599087 OFOKBILHYUFHEI-UHFFFAOYSA-N 262.269 0.639 10 10 CCCE CC1(C)[C@H](O)[C@H](O)CN1c1ccc(CN)c(F)c1F 2124801355 HWAAMZRSRAWYGY-BXKDBHETSA-N 272.295 0.744 10 10 CCCE O=C(O)C[C@H]1CC[C@H]1NC(=O)c1cc(O)nc(O)c1 2126590651 AWPSYTZKGHPRBA-HTRCEHHLSA-N 266.253 0.476 10 10 CCCE COC(=O)NS(=O)(=O)N(C)Cc1ccc(N)cc1 162755517 IDZZHVQIHJSUNL-UHFFFAOYSA-N 273.314 0.301 10 10 CCCE O[C@H]1CCCc2cc(N3C[C@H](O)C[C@@H](O)C3)ccc21 2128276290 ZCHFAJMPFGYGJS-NFAWXSAZSA-N 263.337 0.988 10 10 CCCE CSc1ncc(CNC(=O)[C@@H](N)C2COC2)s1 2248704818 LJJIEHOVUVRTSZ-QMMMGPOBSA-N 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CO[C@@](C)(CO)CNC(=O)CCOc1ccc(N)cc1 702506621 SLLDVUUAUBNNBA-CQSZACIVSA-N 282.340 0.551 10 10 CCCE O[C@@H]1[C@H]2CC[C@@](NCc3ccc4c(c3)CCO4)(C2)[C@H]1O 2176912703 CHECLVWVXGNTJN-DRPJVOAASA-N 275.348 0.985 10 10 CCCE CN(CCOc1ccc(N)cc1)Cc1ncnn1C 708309934 HCHBVBKBHMTOQE-UHFFFAOYSA-N 261.329 0.908 10 10 CCCE CN(CC(=O)c1ccc(O)c(O)c1)CC1CN(C)C1 709597631 CDCXUYDEKYBVNP-UHFFFAOYSA-N 264.325 0.774 10 10 CCCE Nc1ccc(CC(=O)N2CC[C@@H]3CNC[C@@H]3C2)cc1 377756746 SEGZQYKBBQRTRC-CHWSQXEVSA-N 259.353 0.879 10 10 CCCE COC[C@@](C)(CN)N(C)C(=O)c1cccc(O)c1O 689875551 VJALKJDWZCPHSA-CYBMUJFWSA-N 268.313 0.534 10 10 CCCE O=C(N[C@@H]1C=CC[C@H](C(=O)O)C1)c1cc(O)nc(O)c1 714210120 DTGWRJUSVITSQC-IONNQARKSA-N 278.264 0.642 10 10 CCCE Oc1ccc(-c2noc([C@H](F)C3(O)CNC3)n2)cc1O 2172287479 RVZQYENQSPJQRO-VIFPVBQESA-N 281.243 0.493 10 10 CCCE CN(C)C1[C@@H]2CN(CC(=O)c3ccc(O)c(O)c3)C[C@@H]12 384536837 DKJRMUGOYYDXFL-GHMZBOCLSA-N 276.336 0.772 10 10 CCCE CO[C@H]1COC[C@H]1N(C)C(=O)COc1ccc(N)cc1 2177272908 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CN(Cc1n[nH]c(=NN)s1)Cc1ccccc1O 2072449029 TWRRRKSIOPQCHR-UHFFFAOYSA-N 265.342 0.583 10 10 CCCE COc1cccc(O)c1CNCC(=O)NCC(F)F 2104441358 ZOKWBFUSMKGAAE-UHFFFAOYSA-N 274.267 0.872 10 10 CCCE O=C1Nc2cc(N3CC=C[C@@H](O)C3)c(F)cc2[C@@H]1O 2108772504 HNJATSHEUYNDBC-KRTXAFLBSA-N 264.256 0.548 10 10 CCCE Nc1ccc(CCC(=O)N[C@@H]2C[C@@H](O)C[C@@H]2O)cc1 2108804840 VFLBADKNWSTRQV-UPJWGTAASA-N 264.325 0.202 10 10 CCCE Oc1ccc(CN[C@@H]2C[C@H]3C[C@H]2[C@H](O)[C@H]3O)cc1O 2110104970 GBAMWRFQKPXFCB-CAWZCGCOSA-N 265.309 0.318 10 10 CCCE O=C(CN1C[C@@H]2[C@@H](CO)[C@@H]2C1)c1ccc(O)c(O)c1 2090737131 PBPJSOYIPFJQCK-URLYPYJESA-N 263.293 0.451 10 10 CCCE Nc1cc2c(cc1N1C[C@@H](O)[C@H](F)C1)NC(=O)CO2 2092770897 QUETUEWQMMDSFV-LHLIQPBNSA-N 267.260 0.119 10 10 CCCE O=C1Nc2cc(N3CC(N4CCC4)C3)ccc2[C@@H]1O 2095925276 DKBSHUUJQQEJBT-ZDUSSCGKSA-N 259.309 0.566 10 10 CCCE CN(C)CCN(CCO)C(=O)Cc1ccc(N)cc1 2099361260 PYPGXVMVUYIDDS-UHFFFAOYSA-N 265.357 0.194 10 10 CCCE NC[C@H]1C[C@@](F)(CNC(=O)c2ccc(O)c(O)c2)C1 2112391630 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PHAWIUYISFNKRN-KGLIPLIRSA-N 277.320 0.539 10 10 CCCE OCC(CO)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1 2235111990 AWNMNEIEVSBELU-NSHDSACASA-N 279.336 0.885 10 10 CCCE CCn1nncc1S(=O)(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-] 2225799568 LEXFCSSLZGFBDD-HTQZYQBOSA-N 285.333 0.808 10 10 CCCE COc1ccc(N2CCO[C@@H]3COC[C@@H]32)c(CCN)c1 2235971623 DGGMXMABRHDHBD-LSDHHAIUSA-N 278.352 0.800 10 10 CCCE COc1ccc(N2CC[C@]3(CNC(=O)C3)C2)c(CO)c1 2236002345 MQJJPUMMENBUEG-HNNXBMFYSA-N 276.336 0.904 10 10 CCCE COc1ccc(N(C)Cc2cnn(C)n2)c(CN)c1 2227678997 CRXYKTBAVFDMKI-UHFFFAOYSA-N 261.329 0.919 10 10 CCCE C[C@]1(CO)C=CCN1CC(=O)Nc1ccc(N)cc1 2228874786 GNUSVRLNROYTSG-CQSZACIVSA-N 261.325 0.830 10 10 CCCE N[C@H](CS(=O)(=O)Nc1ccc(O)cc1Cl)C(=O)O 2258135202 ZELCFHHGOXQPFX-SSDOTTSWSA-N 294.716 0.199 10 10 CCCE CC[C@@H]1[C@@H](O)CCN1C(=O)c1cc(O)c(O)c(O)c1 2273223450 ZNTSHFOXKJYRJZ-BDAKNGLRSA-N 267.281 0.789 10 10 CCCE NN[C@H](c1ccccc1O)c1nnn2c1CCCC2 2273619355 DDTXARGJXLNIFW-GFCCVEGCSA-N 259.313 0.873 10 10 CCCE Nc1ccc(CC(=O)N[C@@H]2CCNCC2(F)F)cc1 2264442567 OWDJQXPVFFABEM-LLVKDONJSA-N 269.295 0.925 10 10 CCCE COc1ccc(N2CC(CO)(CO)C2)c(OC)c1C 2277990142 JKEPJTCKEXZRAM-UHFFFAOYSA-N 267.325 0.803 10 10 CCCE OC[C@@H](O)[C@H]1COCCN1c1ccc(OCF)cc1 2278402339 TVLSLKUGPUKMBL-CHWSQXEVSA-N 271.288 0.551 10 10 CCCE CO[C@H]1CCN(CCNCc2ccc(O)c(O)c2O)C1 2283083830 UAWHPVAMBHALSV-NSHDSACASA-N 282.340 0.614 10 10 CCCE CN(C(=O)Cc1ccc(O)c(O)c1)[C@@H]1CNCC12CC2 2286984032 MMIVODVVSSYXNX-CYBMUJFWSA-N 276.336 0.851 10 10 CCCE C[C@H](N)c1cc(F)c(N2CC([C@@H](O)CO)C2)c(F)c1 2336770607 CGWLALDUWUSRFP-MADCSZMMSA-N 272.295 0.774 10 10 CCCE CN1CCC(CO)(NCc2cccc(O)c2O)CC1 2352515943 KVGVRRHKGXZNRA-UHFFFAOYSA-N 266.341 0.644 10 10 CCCE Nc1ccc(CC(=O)N2C[C@H]3C[C@H](O)[C@H](O)[C@@H]2C3)cc1 2355354571 LIGVFKVWLFORJB-GVUJHPQVSA-N 276.336 0.154 10 10 CCCE Oc1ccc(CNC[C@@H]2C[C@@H]3C[C@H]2[C@H](O)[C@H]3O)c(O)c1 2355458654 AQOZUCUTAPGYOY-KQFRYOBMSA-N 279.336 0.565 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1C[C@H]2OC[C@@H](CO)[C@H]2C1 2355693959 UJKHZOAHWAQDST-GIPNMCIBSA-N 279.292 0.177 10 10 CCCE CN(C)c1ccc(CNC(=O)CSC[C@H](O)CO)cc1 177415144 CAGKVEDFIMZVKD-CYBMUJFWSA-N 298.408 0.455 10 10 CCCE Cc1cc(N2CC(=O)NC(=O)[C@H]2C)ccc1/C=C\C(=O)O 228039970 HEZCUCVDGXAQFB-AYYIZTPMSA-N 288.303 0.944 10 10 CCCE COc1ccc(CN2CCCN(CC(=O)O)CC2)c(O)c1 86760385 SEEHZVKPUVIYIO-UHFFFAOYSA-N 294.351 0.993 10 10 CCCE Cc1cc(O)c([C@@H]2NC(=O)[C@@H]3COCCN32)cc1C 93885080 ISUNGJLJFUOHNL-WCQYABFASA-N 262.309 0.838 10 10 CCCE CC1(C)C(=O)NC(=O)CN1Cc1cc(N)ccc1O 97300439 QFNBWMDSRZWWGF-UHFFFAOYSA-N 263.297 0.211 10 10 CCCE C[C@@H]1CCN(S(=O)(=O)Cc2ccc(N)cc2)[C@H]1CO 299927792 ACXLIELIVXLERI-MFKMUULPSA-N 284.381 0.801 10 10 CCCE CC(=O)C(=O)COC(=O)CNC(=O)c1ccsc1 808509280 LCCMYDOKVFVKFB-UHFFFAOYSA-N 269.278 0.179 10 10 CCCE COCCNCCN(C)Cc1cc(O)c(O)c(O)c1 2132396091 YRGFHUFYNUGUAJ-UHFFFAOYSA-N 270.329 0.471 10 10 CCCE C[C@@H]1CN(Cc2ccccc2O)CCN1S(C)(=O)=O 827271411 OYDBPFHNBISMKR-LLVKDONJSA-N 284.381 0.858 10 10 CCCE CC(C)NC(=O)CN(C)c1ccc2c(c1)NC(=O)[C@@H]2N 723165281 VISZHJJGELHQTO-CYBMUJFWSA-N 276.340 0.599 10 10 CCCE NC(=O)[C@H]1C[C@@H](NCc2ccc(N3CCOCC3)cc2)C1 846047151 VFJACJNJKHLMBQ-OKILXGFUSA-N 289.379 0.877 10 10 CCCE COC(=O)c1cccc(N)c1N[C@H]1CNC[C@@H]1OC 1876501580 DMXIOXLVUNGHBL-QWRGUYRKSA-N 265.313 0.454 10 10 CCCE Oc1cccc(F)c1CN[C@H]1CCn2nnnc2C1 1875665922 FJWWTOFGWVSDOL-QMMMGPOBSA-N 263.276 0.622 10 10 CCCE C[C@@H](N)CCNS(=O)(=O)CCOc1ccc(N)cc1 1876411141 LZHQOLZYYGIXMQ-SNVBAGLBSA-N 287.385 0.304 10 10 CCCE Nc1ccc(OCCC(=O)N[C@H]2C=CCNC2)cc1 1876487621 VVXOHHTYCYAULZ-LBPRGKRZSA-N 261.325 0.682 10 10 CCCE NC(=O)[C@@H]1C[C@@H](O)CN1Cc1ccc2ccccc2c1O 895946493 QXKIWWOWWZTZPF-OCCSQVGLSA-N 286.331 0.966 10 10 CCCE NCc1ccc(N2CCN3C(=O)NC[C@H]3C2)cc1F 135229848 MBBYKZLBMRNASO-NSHDSACASA-N 264.304 0.498 10 10 CCCE CN1CCCc2cc([C@@H](N)c3nnnn3C)ccc21 1885444726 TUCQOIDQNXYBRZ-GFCCVEGCSA-N 258.329 0.641 10 10 CCCE COC[C@H](C)NC(=O)C(=O)N1Cc2cccc(O)c2C1 1333026115 MEDSLNKFMPTRLN-VIFPVBQESA-N 278.308 0.386 10 10 CCCE CC(C)(O)CCN(CC(N)=O)Cc1ccc(N)cc1 92801399 KIJWIKBDRNDCDO-UHFFFAOYSA-N 265.357 0.717 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3C[C@H]4C[C@H]3C[C@H]4O)ccc21 2115466162 YMEVRZSLRUXVOM-OSXSSCDZSA-N 259.309 0.598 10 10 CCCE Cc1ccc(C(=O)N2CCO[C@H]([C@H](C)O)C2)c(O)c1O 1468940844 WPSOZJGJIPFAIW-ONGXEEELSA-N 281.308 0.628 10 10 CCCE NCc1cc(F)c(N2CC3(CNC(=O)C3)C2)c(F)c1 2119573996 YCVRHOPFUDQIAA-UHFFFAOYSA-N 267.279 0.750 10 10 CCCE NC(=O)[C@@H]1OCC[C@@H]1Nc1c(N)cccc1Cl 1907228794 FUCBDZPUJTUZIO-WCBMZHEXSA-N 255.705 0.977 10 10 CCCE NC(=O)[C@@H]1C[C@@H]1C(=O)NCc1ccc2cccnc2c1O 1630533083 UTQDOOCDBKBQNI-MNOVXSKESA-N 285.303 0.678 10 10 CCCE Nc1nc(N)nc(NCc2ccc3cccnc3c2O)n1 1651160982 MFIHVFRNMHOANN-UHFFFAOYSA-N 283.295 0.902 10 10 CCCE COC(=O)c1ncoc1CNC(=O)c1cccc(O)c1O 1588292201 QRDUNHPLZUHZDU-UHFFFAOYSA-N 292.247 0.802 10 10 CCCE CNC(=O)C[C@H](C)NC(=O)NCc1cccc(OC)c1O 1686497349 LTZVPCGUASOEEF-VIFPVBQESA-N 295.339 0.725 10 10 CCCE C[C@H]1C[C@@H](CO)CN1C(=O)Cc1ccc(O)c(O)c1 1964965780 PNVZRKIEYLFDLZ-GXSJLCMTSA-N 265.309 0.870 10 10 CCCE Cc1ccc([C@@H](C)NCC(O)(CO)CO)c(O)c1 1913790561 WEYMMDWAFQLLLH-SNVBAGLBSA-N 255.314 0.067 10 10 CCCE C[C@@H](NC(=O)N(C)Cc1ccc(N)cc1)S(C)(=O)=O 2138289180 PTWMSPAADAONNV-VIFPVBQESA-N 285.369 0.801 10 10 CCCE CNC(=O)[C@@H]1CNCCN1c1ccc(OC)c(Cl)c1 2138247164 GZBIFNCVANMREF-NSHDSACASA-N 283.759 0.873 10 10 CCCE CNC(=O)[C@H](C)N(C)C(=O)c1cccc(O)c1O 1916838354 KIMCBIIBVCCYAC-ZETCQYMHSA-N 252.270 0.304 10 10 CCCE C[C@@H](C[C@@H](C)O)NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 228120514 XXKQHYFYIXBORO-NGZCFLSTSA-N 282.340 0.243 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3C[C@@H](O)CC4(CC4)C3)ccc21 1926416592 SKCBNTRKDOEWGD-GWCFXTLKSA-N 273.336 0.990 10 10 CCCE CO[C@@H]1C[C@H](C(=O)O)N(Cc2ccc(O)c(O)c2)C1 2136360310 RLCOIEHLPOITII-NXEZZACHSA-N 267.281 0.772 10 10 CCCE C[C@]1(O)CCN(C(=O)[C@H]2CNc3ccccc3N2)C1 229886037 JJZYKFIUVCYOBD-OCCSQVGLSA-N 261.325 0.876 10 10 CCCE C[C@H](N)c1ccc(N2C[C@H](O)[C@H](O)[C@H]2CF)cc1O 2140661674 IEDUKZOLBRAJNB-VFHFYPCJSA-N 270.304 0.292 10 10 CCCE NC1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1968718446 OKSMXVKVCAPZQS-UHFFFAOYSA-N 250.298 0.590 10 10 CCCE COc1cc(N(C)[C@@H]2CCN(C)C2=O)ccc1CO 2139683910 CLXJXWBITLJDLL-GFCCVEGCSA-N 264.325 0.854 10 10 CCCE Cc1cccc(CNC(=O)CN2CCNCC2)c1O 2139762401 RNLCANVTTIYZSW-UHFFFAOYSA-N 263.341 0.222 10 10 CCCE CC(C)([C@H](NN)c1ccccc1O)S(C)(=O)=O 1942399846 DJXUVZSZKNGAFZ-SNVBAGLBSA-N 258.343 0.720 10 10 CCCE CC1(C)CNCCN1C(=O)Cc1ccc(O)c(O)c1 1970659040 RDPNQILNDTZMDO-UHFFFAOYSA-N 264.325 0.851 10 10 CCCE C[C@@H](N)c1ccc(N2CC(O)(CO)C2)cc1Cl 2004525061 CGXFWHHVDGLPJP-MRVPVSSYSA-N 256.733 0.903 10 10 CCCE C[C@H]1OCCO[C@H]1C(=O)NCCOc1ccc(N)cc1 2143700606 NXYRXJFLIOPWPL-ZWNOBZJWSA-N 280.324 0.568 10 10 CCCE CO[C@@H]1C[C@H](CO)N(C(=O)Cc2ccc(O)c(O)c2)C1 2144026353 SIFOIGPKFMTVOT-GHMZBOCLSA-N 281.308 0.249 10 10 CCCE Nc1ccc(NC(=O)CN2C[C@@H](CO)C3(CC3)C2)cc1 2144090925 NULWGLOEHAXFKH-NSHDSACASA-N 275.352 0.912 10 10 CCCE C[C@H](c1nn[nH]n1)N(C)C(=O)Cc1ccc(O)c(O)c1 2144031020 VFZLVFZOFGMXOB-SSDOTTSWSA-N 277.284 0.373 10 10 CCCE NC(=O)[C@H]1CCC[C@H](NC(=O)Cc2ccc(N)cc2)C1 262638803 YEFCVDUQGVYGQS-AAEUAGOBSA-N 275.352 0.972 10 10 CCCE NNc1ncc(Cl)c(=NCCc2ccc(O)c(O)c2)[nH]1 2148018342 CIJWLKMDFPADKE-UHFFFAOYSA-N 295.730 0.903 10 10 CCCE CCn1nncc1S(=O)(=O)NCCc1ccc(N)cc1 2145423490 KKXLHHVUNLODDY-UHFFFAOYSA-N 295.368 0.401 10 10 CCCE O=C1NC(=O)[C@@H](CCCNCc2cccc(O)c2O)N1 2150331206 OLYYFUZDYIXTQZ-SECBINFHSA-N 279.296 0.176 10 10 CCCE O=C([C@H]1CNc2ccccc2N1)N1C[C@@H](O)C(F)(F)C1 2152096793 AWMZLIZHHSJOPB-GHMZBOCLSA-N 283.278 0.731 10 10 CCCE CN1CCCc2cc(CN[C@@H]3CC(=O)NC3=O)ccc21 2152399252 RYDHRIPIEILFKQ-GFCCVEGCSA-N 273.336 0.574 10 10 CCCE C[C@@]1(NC(=O)c2cc(O)nc(O)c2)CCCNC1 2027845750 LDNCOUKVNBSJOF-GFCCVEGCSA-N 251.286 0.365 10 10 CCCE CNC(=O)N1CCN(Cc2ccc(F)cc2O)CC1 295217246 BIHRMGSHMPJHFJ-UHFFFAOYSA-N 267.304 0.988 10 10 CCCE COC(=O)[C@@]1(NCCN=[N+]=[N-])C[C@@H]2COC[C@@H]2C1 2038595884 YDFHEFOXROCBGI-DOFRTFSJSA-N 254.290 0.855 10 10 CCCE CC[C@H]1CN(C(=O)c2cc(O)nc(O)c2)C[C@@H]1O 400452316 NUFFPLZRQMSOET-CBAPKCEASA-N 252.270 0.336 10 10 CCCE CO[C@H]1C[C@@H](CO)N(c2ccc(CN)c(F)c2)C1 311085475 GYOVJSGPIQBOOG-RYUDHWBXSA-N 254.305 0.870 10 10 CCCE Nc1ccc(NC(=O)CN2CCC[C@](O)(CO)C2)cc1 313640879 ISXUJRNTFXROFQ-CQSZACIVSA-N 279.340 0.027 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H](CO)c1cscn1 2175674992 HGHMXJREAHHEEW-VIFPVBQESA-N 294.332 0.947 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC[C@@]2(C(=O)O)C[C@@H]2C1 2161284600 GIFCBYRPHFYOKA-AMIZOPFISA-N 278.264 0.430 10 10 CCCE C[C@H]1CCC[C@H](C(=O)O)N1C(=O)c1cc(O)nc(O)c1 2176082958 XHORYAOSCUOMTJ-IONNQARKSA-N 280.280 0.961 10 10 CCCE CN(C)c1ccc(CNC(=O)[C@@H]2COCC[C@@H]2N)cc1 2176110927 OIGFZMUKBOFRRR-KGLIPLIRSA-N 277.368 0.733 10 10 CCCE CCS(=O)(=O)NCCNCc1cccc(C)c1O 390215886 ZBHJXGHFLPFIBU-UHFFFAOYSA-N 272.370 0.730 10 10 CCCE NCC[C@@H](NC(=O)c1cccc(O)c1O)C(F)F 383324348 SSDQSELSLMJEKS-SSDOTTSWSA-N 260.240 0.810 10 10 CCCE CC(=O)NC1CN(C(=O)c2ccc(O)c(O)c2)C1 388418108 YCEHHHZKAKSEPW-UHFFFAOYSA-N 250.254 0.058 10 10 CCCE 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CN(C)c1ccc([C@](C)(O)[C@](C)(N)C(=O)O)cc1 2058196579 DAEVIQZBQIUPML-OLZOCXBDSA-N 252.314 0.762 10 10 CCCE NCc1nc(=NC(=O)c2ccc(O)c(O)c2)s[nH]1 2067328049 JZMFUXKCZZRJFA-UHFFFAOYSA-N 266.282 0.082 10 10 CCCE CO[C@]1(C)C[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2068577114 MADYJFQQHJJFNT-BXKDBHETSA-N 253.254 0.711 10 10 CCCE C[C@@H]1CN(Cc2ccc(N)cc2)[C@H](C(=O)O)CO1 2076949887 YXRKYRUKDFCBEX-SKDRFNHKSA-N 250.298 0.943 10 10 CCCE O=C1NC[C@H]2CN(c3ccc(CO)cc3F)CC[C@@H]12 2100942348 YMAWYYGGUGFXQH-WDEREUQCSA-N 264.300 0.890 10 10 CCCE O=C1CC[C@@H](CNC(=O)c2cccc(O)c2O)CN1 2103044790 ZARQKWLFSXABFL-MRVPVSSYSA-N 264.281 0.354 10 10 CCCE O=C(O)C[C@]1(O)CCN(Cc2cc(F)ccc2O)C1 2104563036 QOYBWBYLEPPVKV-CYBMUJFWSA-N 269.272 0.943 10 10 CCCE C[C@@H](NC[C@H]1CCS(=O)(=O)N1)c1c(O)cccc1O 2089999826 WYNOJDRREYVCGF-RKDXNWHRSA-N 286.353 0.440 10 10 CCCE O=C(N[C@@H]1C[C@H](CO)[C@H]2C[C@H]21)c1ccc(O)c(O)c1 2110614373 YWIJIQBMOIZORU-GWOFURMSSA-N 263.293 0.845 10 10 CCCE C[C@H]1C[C@H]1N(CCO)C(=O)Cc1ccc(O)c(O)c1 2110787801 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160809830 VUPDQXNNKKDMNR-UHFFFAOYSA-N 262.313 0.917 10 10 CCCE C[C@H](O)c1ccc(N2C[C@@H](CO)[C@@H](CCO)C2)cc1O 2149907564 KKWQYXHFSWDJIA-SRVKXCTJSA-N 281.352 0.873 10 10 CCCE C[C@@]1(NCc2cc3c(cc2O)OCO3)CCS(=O)(=O)C1 44418178 MFGJAEDZXPFILR-CYBMUJFWSA-N 299.348 0.788 10 10 CCCE CCS(=O)(=O)CC(=O)N1CCC[C@@H]1CN=[N+]=[N-] 2015468312 GGVBVTXRKZXRBG-MRVPVSSYSA-N 260.319 0.722 10 10 CCCE C[C@H](N[C@@H]1CN(C)C[C@@H]1O)c1ccc(F)cc1O 2029869386 FKQFHCQXEZAUES-KDDOJWQBSA-N 254.305 0.857 10 10 CCCE C[C@@H](N[C@@H]1CC(=O)N(C)C1)c1ccc(O)cc1O 311084802 XKRJCTUWZGCEHU-RKDXNWHRSA-N 250.298 0.979 10 10 CCCE C[C@H](N)c1ccc(N2CCC[C@](O)(C(N)=O)C2)cc1 311643510 SAFAMSAKEWMIQK-IINYFYTJSA-N 263.341 0.523 10 10 CCCE C[C@@H](O)CN(CCO)c1cc2c(cc1N)OCCO2 311949648 YXSYJKWJDBPJDI-SECBINFHSA-N 268.313 0.220 10 10 CCCE CCCN(c1ccc(CN)cc1F)[C@H]1CC(=O)NC1=O 2171207044 QQLMNFDLOCPMLY-LBPRGKRZSA-N 279.315 0.916 10 10 CCCE CN1N=C(C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)CCC1=O 706344301 RFKBLQNQSFBQBG-MRVPVSSYSA-N 264.289 0.896 10 10 CCCE CCN(Cc1nn[nH]n1)S(=O)(=O)Cc1ccc(N)cc1 706910596 ATEGYRVPYFKTNT-UHFFFAOYSA-N 296.356 0.134 10 10 CCCE Nc1ccc(CS(=O)(=O)NCCc2cn[nH]c2)cc1 379740502 KJRMCZGORKJVKJ-UHFFFAOYSA-N 280.353 0.654 10 10 CCCE O=C(Nc1cc2n(n1)CCNC2)c1ccc(O)c(O)c1 711974712 FCRHFABOEAGCKJ-UHFFFAOYSA-N 274.280 0.650 10 10 CCCE COC[C@H](CN(C)c1ccc2c(c1)NC(=O)[C@H]2N)OC 691270558 GWPKTGYRNMMFGT-GWCFXTLKSA-N 279.340 0.736 10 10 CCCE C[C@H](NC(=O)c1ccn(-c2ccc(N)cc2)n1)[C@@H](C)O 386985171 JDUPEWYJOAGUPZ-VHSXEESVSA-N 274.324 0.954 10 10 CCCE NCc1ccc(N2C[C@H]3C(=O)NC(=O)[C@H]3C2)c(F)c1F 386901677 BCUCEOAHPZHCJK-OCAPTIKFSA-N 281.262 0.132 10 10 CCCE C[C@@H]1CCN[C@H](C)[C@@H]1NC(=O)c1cc(O)nc(O)c1 389195903 PYRIKIYURSXBOK-DNSOKLHBSA-N 265.313 0.609 10 10 CCCE CN(C)C(=O)CCCNCc1ccc(O)c(O)c1O 390023665 AOQOOIGMDFZCOQ-UHFFFAOYSA-N 268.313 0.761 10 10 CCCE CO[C@H]1CCOC[C@@H]1NCc1ccc(O)c(O)c1 724907339 ZWLKLNVOLVKCAA-GWCFXTLKSA-N 253.298 0.991 10 10 CCCE COc1ccc(CNC[C@@H](C)S(N)(=O)=O)cc1C 398383892 ULFGTBALGIFPGJ-SNVBAGLBSA-N 272.370 0.770 10 10 CCCE CC[C@@H]1COCCN1C(=O)c1cnn2c(O)cc(C)nc12 2063755081 QQXSIWBUZSTZEG-SNVBAGLBSA-N 290.323 0.994 10 10 CCCE Nc1ccc(NC(=O)NC2CN([C@@H]3CCOC3)C2)cc1 2169354823 ODUXRPKIUKQOIV-CYBMUJFWSA-N 276.340 0.863 10 10 CCCE CN(C(=O)C1=C[C@H](O)[C@@H](N)C1)c1ccccc1C(=O)O 2188017313 AALQVAVKRLOMNS-JQWIXIFHSA-N 276.292 0.366 10 10 CCCE C[C@H](NC1CN([C@@H](C)C(=O)O)C1)c1cc(O)ccc1O 2188305094 RHNOBBGMPRSCPO-IUCAKERBSA-N 280.324 0.906 10 10 CCCE CCN(C(=O)c1cc(O)c(O)c(O)c1)[C@H]1CCNC1=O 2188924229 PQKUUTPWMXQCFX-QMMMGPOBSA-N 280.280 0.154 10 10 CCCE O=C(NC[C@@H]1CC2(CC2)CN1)c1cc(O)c(O)c(O)c1 2188922633 HOQQXAJIWLGCTK-VIFPVBQESA-N 278.308 0.675 10 10 CCCE Nc1ccc(OCC(=O)N[C@@H]2CCOC[C@@H]2CO)cc1 2193255141 FVOYZPSEXZFNTG-GXFFZTMASA-N 280.324 0.161 10 10 CCCE C[C@H](N)c1ccc(N2CC3(C2)OC[C@@H](O)[C@@H]3O)c(Cl)c1 2183628311 XQDAVEGTJLCNKQ-CKLFPEKLSA-N 298.770 0.671 10 10 CCCE CNCC[S@](C)(=O)=NC(=O)c1cccc(O)c1O 2042954297 OGZQRJKNPQYXKB-SFHVURJKSA-N 272.326 0.555 10 10 CCCE C[P@]1(=O)C[C@@H](O)[C@H](NCc2ccc(O)c(O)c2)C1 2057708970 RBRJGUABDDIZGD-YHRQMHJJSA-N 271.253 0.923 10 10 CCCE COCC1(NC(=O)CCOc2ccc(N)cc2)CNC1 2191900720 OZXKLLFDRFSYDG-UHFFFAOYSA-N 279.340 0.142 10 10 CCCE CN1C[C@H]2C[C@H]1CN2CCC(=O)Nc1ccc(N)cc1 2187565229 VPPYUSVJPPRWFA-UONOGXRCSA-N 274.368 0.986 10 10 CCCE C[C@H](O)c1cc(F)c(N2CC(O)(CO)C2)c(F)c1 2074084119 VAIZPVICAVGKPZ-ZETCQYMHSA-N 259.252 0.562 10 10 CCCE COc1cc(N(C)[C@H]2COC[C@@H]2O)ccc1CN 2084017354 QKYVLDYOTOFRBW-RYUDHWBXSA-N 252.314 0.350 10 10 CCCE OCc1ccc(N2CCOC[C@@H]2[C@@H](O)CO)c(Cl)c1 2090128665 KLVXFGKUDFBAIK-OLZOCXBDSA-N 287.743 0.391 10 10 CCCE COc1ccc(N2CCC[C@H]2CS(N)(=O)=O)c(N)c1 2090228096 TXEXSWPRNKQOPD-VIFPVBQESA-N 285.369 0.535 10 10 CCCE Cc1cn(CCNCc2ccc(O)c(O)c2O)nn1 2094302446 DDTZIUYVIZICSA-UHFFFAOYSA-N 264.285 0.493 10 10 CCCE CN[C@H](C)c1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3C(N)=O)cc1O 2201287289 CPCVPSJGLOFLOG-XFOOOJQKSA-N 275.352 0.840 10 10 CCCE COc1cc(N2C[C@@H]3OC[C@@H](CO)[C@@H]3C2)ccc1CN 2204541268 KLKOKNTWXRTCBJ-ZLDLUXBVSA-N 278.352 0.597 10 10 CCCE CN(C)C[C@@H]1COC[C@@H]1NC(=O)Nc1ccc(N)cc1 2206378329 MVTHLVKDEKSMMK-MFKMUULPSA-N 278.356 0.967 10 10 CCCE O=C(N[C@@H]1CC[C@H]1CO)c1cc(O)c(O)c(O)c1 2218451255 ZEOKEIMTAHWEOE-POYBYMJQSA-N 253.254 0.304 10 10 CCCE [N-]=[N+]=N[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CN2CCN1CC2 2225796489 XRLJDAGHHQWYQC-AXFHLTTASA-N 264.333 0.334 10 10 CCCE COc1ccc(N2CC[C@@H](OCC(N)=O)C2)c(CN)c1 2235970031 LLLWAEMOLASKAL-GFCCVEGCSA-N 279.340 0.235 10 10 CCCE COC[C@@H]1[C@@H](O)[C@@H](O)CN1c1ccc2c(c1)CCC2 2226748606 YGWVAYRODMFNQX-QLFBSQMISA-N 263.337 0.732 10 10 CCCE O=C(NC[C@H]1C[C@H](C(=O)O)C1)c1cccc(O)c1O 2229372947 BQOMQVCQDDMVPL-ZKCHVHJHSA-N 265.265 0.938 10 10 CCCE CC1(C)OC(=O)N(CC(=O)Nc2ccc(N)cc2)C1=O 2241076008 BSDDSUUEMNHPTG-UHFFFAOYSA-N 277.280 0.965 10 10 CCCE O=C1Nc2cc(N3CC[C@]4(O)C[C@@H]4C3)ccc2[C@H]1O 2265196169 SYCOKYAMNPADJX-RGZBUGHASA-N 260.293 0.633 10 10 CCCE COc1ccc(N2CC[C@](O)(CO)C2)c(OC)c1C 2277995302 YYWGSPWGOCTBPK-CQSZACIVSA-N 267.325 0.946 10 10 CCCE COc1ccc(N2C[C@H]3OCC[C@]3(CO)C2)c(CO)c1 2296361279 QEDGRZZBGRSWMP-HUUCEWRRSA-N 279.336 0.775 10 10 CCCE CC[C@@H]1[C@H](O)CCN1C[C@H](O)COc1ccc(N)cc1 2288865252 KBHGLRZJVUACGJ-NWANDNLSSA-N 280.368 0.854 10 10 CCCE C[C@@H](O)[C@@H]1C[C@H]1NC(=O)CCOc1ccc(N)cc1 2331383905 REZYPHHUMKNVSW-JIMOISOXSA-N 264.325 0.923 10 10 CCCE NCc1ccc(N2CC[C@@H](O)[C@@H](O)C2)cc1C1CC1 2339148620 TWFNECIVUVUIET-CABCVRRESA-N 262.353 0.955 10 10 CCCE O=C(Nc1[nH]nc2c1CCNC2)c1cc(O)c(O)c(O)c1 170190792 JKCCBJKIJGJYSJ-UHFFFAOYSA-N 290.279 0.425 10 10 CCCE C[C@H](NCCNS(C)(=O)=O)c1ccc(F)cc1O 62745428 RCULJVTYHGBLJF-QMMMGPOBSA-N 276.333 0.731 10 10 CCCE CCNC(=O)CN(C)C(=O)Nc1ccc(N)cc1 49717167 SLYDVCISRGKEND-UHFFFAOYSA-N 250.302 0.869 10 10 CCCE CN1CCCN(Cc2cc([N+](=O)[O-])ccc2O)CC1=O 191146811 FROFMHMAXXWWTD-UHFFFAOYSA-N 279.296 0.965 10 10 CCCE COc1cccc(CN(C[C@@H](C)O)[C@H](C)CO)c1O 249048595 FOULRBUZEXWGNE-GHMZBOCLSA-N 269.341 0.964 10 10 CCCE CCCS(=O)(=O)NC1CN(Cc2cc(N)ccc2O)C1 2165629826 BILSMRRMVKBEJK-UHFFFAOYSA-N 299.396 0.488 10 10 CCCE C[C@@H]1CS(=O)(=O)C[C@@H]1Nc1c(N)cccc1C(=O)O 712311014 PKJBLYAUMUNFCH-XCBNKYQSSA-N 284.337 0.812 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H]2[C@@H](CO)[C@@H]2C1 2132348272 HUZUBOFPNCTXOA-BRPSZJMVSA-N 265.265 0.114 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H]2C[C@@]2(CO)C1 2132348055 COXJECZJKWEZRA-SDBXPKJASA-N 265.265 0.258 10 10 CCCE CC(=O)N1CCN(Cc2cc(C=O)ccc2O)CC1 821295521 RIWFSENWHNPEEC-UHFFFAOYSA-N 262.309 0.869 10 10 CCCE COC[C@H]1C(=O)N[C@H](c2ccc3c(c2)CCN3C)N1C 840833762 UBTDUTYDNLGEQY-KBPBESRZSA-N 275.352 0.754 10 10 CCCE CCOC(=O)c1cc(=O)n(CC(=O)C(C)=O)cc1C 919043771 DALUYOXBDGCFSV-UHFFFAOYSA-N 265.265 0.492 10 10 CCCE O=C(NCc1ccccc1O)NCC12CC(CN1)C2 851677850 WZXXQULSVYAVOL-UHFFFAOYSA-N 261.325 0.943 10 10 CCCE Cc1nc(C[C@@H](NN)c2ccc(N(C)C)cc2)n(C)n1 690657329 LIPDIERGLXZLKW-CYBMUJFWSA-N 274.372 0.937 10 10 CCCE C[C@H](O)CN(C[C@@H](O)COc1ccc(N)cc1)C1CC1 691405862 WTLBDVMEHLRZIN-SMDDNHRTSA-N 280.368 0.854 10 10 CCCE C[C@H](c1ccccc1O)N(C)[C@@H]1CS(=O)(=O)C[C@@H]1N 1877545501 PIQDDSVPUYIRIB-ADEWGFFLSA-N 284.381 0.509 10 10 CCCE COc1ccc(O)c(CN[C@]2(C)CCNC2=O)c1 1355370174 HBCHNGBVARPNEK-CYBMUJFWSA-N 250.298 0.769 10 10 CCCE COCCOC[C@H]1NCCc2c1cc(O)c(O)c2O 75819625 HCSSKVMCFVFBLC-SNVBAGLBSA-N 269.297 0.653 10 10 CCCE C[C@H](Cn1cncn1)NC(=O)c1c(F)ccc(O)c1O 1160664242 BFKQYWTVEOGUIU-SSDOTTSWSA-N 280.259 0.647 10 10 CCCE OC[C@H](O)CN1CCNc2cc3c(cc21)OCO3 76928889 AIVWSYATJPUACP-MRVPVSSYSA-N 252.270 0.000 10 10 CCCE N[C@H](C(=O)NC[C@H]1CCCO1)c1ccccc1O 83382495 VMJKMFSUPBWCFG-SKDRFNHKSA-N 250.298 0.687 10 10 CCCE O=C(N[C@H]1C[C@H]2CC[C@H]1NC2)c1cccc(O)c1O 701086469 JDOHBMUOCQBPNP-IEBDPFPHSA-N 262.309 0.968 10 10 CCCE Nc1ccc(OCC(=O)NC[C@@H]2CCOC2)cc1 40319007 OKXALHUARRSYFT-JTQLQIEISA-N 250.298 0.800 10 10 CCCE O=C(N[C@@H]1CCCC2(C1)OCCO2)c1cc(O)nc(O)c1 715697111 XUBFCCDVQOHPGQ-SNVBAGLBSA-N 294.307 0.908 10 10 CCCE C[C@@H](NC[C@H](O)CN(C)C)c1cc(O)ccc1O 717357865 FZXNXAPROZRZHK-KOLCDFICSA-N 254.330 0.671 10 10 CCCE Nc1ccc(CC(=O)NCC2(O)CSC2)cc1 2247994545 WQYFYUXQWGZFTP-UHFFFAOYSA-N 252.339 0.405 10 10 CCCE C[C@@H]1C[S@](=O)CCN1c1ccc2c(c1)NC(=O)[C@@H]2N 2115332977 KDVFBOOCYOCODO-HLRGWKPYSA-N 279.365 0.596 10 10 CCCE Cn1cnnc1COCC(=O)NCc1cccc(O)c1O 1455313456 AMZRRXIUDHZZRE-UHFFFAOYSA-N 292.295 0.059 10 10 CCCE CO[C@@H]1COC[C@@H]1N(C)CCOc1ccc(N)cc1 2120772518 BAZLPDZGXUUAHL-UONOGXRCSA-N 266.341 0.993 10 10 CCCE CC[C@]1(C(=O)NCc2c(O)cccc2O)CCNC1=O 1635850424 MHPOMFJQIKSAAO-AWEZNQCLSA-N 278.308 0.630 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCc2cncn2C1 1643475015 DLOPSDDPTABRNK-NSHDSACASA-N 287.319 0.968 10 10 CCCE O=C1CC[C@@H](NC(=O)Cc2ccc(O)c(O)c2)CCN1 1638413661 GESGNGZEWBDNEM-SNVBAGLBSA-N 278.308 0.425 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3CC[C@H]3[C@@H](C)O)ccc21 2125809717 YDQNORGTAYYKMT-JCOFBHIZSA-N 261.325 0.859 10 10 CCCE COCCNCc1ccc(N2CCO[C@@H](CO)C2)c(F)c1 167295839 PTKFMQJFBACPKS-CYBMUJFWSA-N 298.358 0.759 10 10 CCCE COc1ccc(N(C)C[C@H](N)CC(=O)O)c(OC)c1 258848957 FTLSQJNHVKFFPC-SECBINFHSA-N 268.313 0.942 10 10 CCCE CC(C)(C(=O)O)C(=O)N1C(=O)Cc2cc(N)ccc21 258737421 OUITVQXFOWMXTQ-UHFFFAOYSA-N 262.265 0.795 10 10 CCCE C[C@@]1(O)CCN(c2ccc3c(c2)CC[C@@H]3N)C[C@@H]1O 1893303481 ZMNLCSURRLQMKW-SOUVJXGZSA-N 262.353 0.955 10 10 CCCE [N-]=[N+]=NCCN[C@@H](C(=O)O)c1cn(CC2CC2)nn1 1912156221 NVWSTNTVEAIPDL-SECBINFHSA-N 265.277 0.714 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCN(CC(=O)NC[C@@H]2CCCO2)C1 1912175626 NZKZZANRSGOXAN-QWRGUYRKSA-N 267.333 0.914 10 10 CCCE COC(=O)[C@]1(NCCCN=[N+]=[N-])CCN(C)C(=O)C1 2131964854 WVDLYTBRVWKNJP-NSHDSACASA-N 269.305 0.440 10 10 CCCE OCCN[C@H]1CCCN(c2ccc3c(c2)OCO3)C1 108131034 FPYBXQKKRBIVQF-NSHDSACASA-N 264.325 0.966 10 10 CCCE C[C@@H](O)c1ccc(N2CC(C)(C(N)=O)C2)c([N+](=O)[O-])c1 1914223362 MHIBPUNNQNPXFB-MRVPVSSYSA-N 279.296 0.960 10 10 CCCE CNCc1ccc(N2CCNC(=O)[C@H]2C)cc1OC 2139687587 NPPZEGUHAOEVSX-SNVBAGLBSA-N 263.341 0.739 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC[C@@](F)(CO)C1 1917121195 YLQAPVXOLUUSBY-NSHDSACASA-N 256.233 0.039 10 10 CCCE N[C@]1(CC(=O)NCCc2ccc(O)c(O)c2)CCSC1 1968738687 CXXDNQNVTYEBEC-AWEZNQCLSA-N 296.392 0.981 10 10 CCCE C[C@H]1CN(c2ccc3c(c2)NC(=O)[C@@H]3O)CC(=O)N1C 1926026784 LWXAALBVJKZHHI-ISVAXAHUSA-N 275.308 0.339 10 10 CCCE O=C(NCCn1cccn1)[C@H]1CNc2ccccc2N1 229878749 BALDAYPKKNHOCW-CYBMUJFWSA-N 271.324 0.906 10 10 CCCE COc1ccc(N2C[C@H](O)CC23CNC3)c(F)c1F 2136991355 OIZMDWGVBQTXGW-MRVPVSSYSA-N 270.279 0.886 10 10 CCCE CN(CCN1CCNCC1)C(=O)c1cccc(O)c1O 126672973 MDJHXJYGLIJTDB-UHFFFAOYSA-N 279.340 0.075 10 10 CCCE C[C@@H](NCCN1CCN(C)CC1)c1c(O)cccc1O 235196151 SHDOEVXKFJNZKU-GFCCVEGCSA-N 279.384 0.996 10 10 CCCE Nc1ccc(N2CCC[C@@H]2CS(N)(=O)=O)cc1 1942587187 AJYOSLDUAIPJQB-LLVKDONJSA-N 255.343 0.526 10 10 CCCE CC1(C)[C@H](O)C[C@H]1NC(=O)COc1ccc(N)cc1 127619105 NCTDJNXDQHBDMG-VXGBXAGGSA-N 264.325 0.923 10 10 CCCE CCN1CCc2cc([C@@H](O)C3(C(=O)O)CNC3)ccc21 1951823477 WBVODEYUTBIMHI-CYBMUJFWSA-N 276.336 0.777 10 10 CCCE CN(CC(C)(C)N)C(=O)Cc1ccc(O)c(O)c1 1971229025 ARCCVTWUJFPRJN-UHFFFAOYSA-N 252.314 0.836 10 10 CCCE C[C@H](c1ccc(O)cc1O)N1CCO[C@@H]2[C@H](C(=O)O)[C@H]21 2149295356 YKAUSNYSWLZWDB-PIZZUKIDSA-N 279.292 0.943 10 10 CCCE CN(C)S(=O)(=O)CCN1CCC[C@@H]1CN=[N+]=[N-] 2009443713 WEKGCEDBZBDTAG-SECBINFHSA-N 261.351 0.653 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCN(S(=O)(=O)c2nc[nH]n2)C1 2009218180 JGKQVTMICWLONM-LURJTMIESA-N 257.279 0.126 10 10 CCCE O=C(NC[C@@H]1C[C@H]2COC[C@@H]2N1)c1ccc(O)c(O)c1 2153854391 NVLSSWZZWCDYEM-DCAQKATOSA-N 278.308 0.205 10 10 CCCE CO[C@@H]1COC[C@@H]1OC(=O)Cc1ccc(N)cc1 2030137959 JMXMZVRSQCQCEB-NEPJUHHUSA-N 251.282 0.768 10 10 CCCE CO[C@H](C(=O)[C@H]1CCCC(=O)C1=O)[C@H]1CCOC1 2032908746 MEXZZXXPHNWXCR-RVBZMBCESA-N 254.282 0.545 10 10 CCCE Cn1nnc(C(=O)N2CCC[C@@H](N=[N+]=[N-])CC2)n1 2038000804 UZWHZQVEBXTQAU-SSDOTTSWSA-N 250.266 0.515 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCN(C(=O)[C@H]2CN3CCN2CC3)C1 2155753113 GFGNHDBCHWTKCL-NWDGAFQWSA-N 278.360 0.535 10 10 CCCE O=C1CC[C@H](CNCc2ccc(O)cc2O)CN1 2041471798 OJKOKKSQPXRSGQ-SECBINFHSA-N 250.298 0.714 10 10 CCCE COC(=O)NCCNC(=O)[C@@H]1CNc2ccccc2N1 308423263 PNTZUAJMQMKPOI-NSHDSACASA-N 278.312 0.365 10 10 CCCE CCNC(=O)NCCNCc1ccc(O)c(O)c1 311241236 ZJFUXOMNXQCBMF-UHFFFAOYSA-N 253.302 0.507 10 10 CCCE CN1CC[C@@H](N(C)C(=O)COc2ccc(N)cc2)C1 311841933 QWNGGQZCWFSEFK-GFCCVEGCSA-N 263.341 0.810 10 10 CCCE Nc1ccc(NC(=O)N2CCC(O)(CO)CC2)cc1 314267505 XLTRAQJUCPDXRA-UHFFFAOYSA-N 265.313 0.620 10 10 CCCE CC(C)NCc1ccc(N2C[C@@H](O)[C@@H](CO)C2)cc1 316903336 IMMFDGFEHLCPIH-UKRRQHHQSA-N 264.369 0.974 10 10 CCCE C[C@H](O)c1ccc(N2CC[C@H]3C(=O)NC(=O)[C@@H]3C2)cc1 2158789427 LMYGJNANRNSJRZ-ZWKOPEQDSA-N 274.320 0.839 10 10 CCCE Oc1ccc(-c2noc(C[C@]3(O)CCNC3)n2)cc1O 2160875515 QNKKHDWTNYTHIW-CYBMUJFWSA-N 277.280 0.415 10 10 CCCE CN(C)C(=O)OCCCNCc1ccc(O)c(O)c1O 2161179001 CGANIWNJCHHMJK-UHFFFAOYSA-N 284.312 0.981 10 10 CCCE Cc1cc(N2CCN(C)[C@H](CO)C2)ccc1CO 687595551 MVNMDMLPPADICA-AWEZNQCLSA-N 250.342 0.600 10 10 CCCE C[C@H]1CN(C)C[C@@H]1NC(=O)c1ccc(O)c(O)c1 722285674 PVQGXWWYOKOHGI-WPRPVWTQSA-N 250.298 0.778 10 10 CCCE COC(=O)C1(O)CN(c2ccc([C@@H](C)N)c(O)c2)C1 714421493 RUPZHKFMLUXEQN-MRVPVSSYSA-N 266.297 0.136 10 10 CCCE COCCN(C)C[C@@H](O)CN(C)c1ccc(CN)cc1 383812586 FJWGCGZTNQLDEM-OAHLLOKOSA-N 281.400 0.521 10 10 CCCE COc1cc(Cl)cc(CN[C@@H]2CONC2=O)c1O 393778967 IBIHVSQNMLSMAC-MRVPVSSYSA-N 272.688 0.574 10 10 CCCE CNCc1ccc(N2CCOC[C@@H](O)C2)c(C)c1 399988978 OONOXAIXDVCDGI-ZDUSSCGKSA-N 250.342 0.912 10 10 CCCE Nc1ccc(CC(=O)N[C@@H](CO)C(F)(F)F)cc1 1220447124 CNWZJAXJACEIND-VIFPVBQESA-N 262.231 0.851 10 10 CCCE CN(C)C(=O)CCN(C)c1ccc2c(c1)NC(=O)[C@@H]2N 2188484826 LUNPKXZXRKMLRI-CYBMUJFWSA-N 276.340 0.553 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NCc1nnc(CO)s1 2192606158 UEGCOEDJSYBQKJ-UHFFFAOYSA-N 295.320 0.301 10 10 CCCE C[C@H](NS(=O)(=O)N1CCNC[C@@H]1C)c1ccccc1O 2192630912 BWRQAPFCDJQWEL-QWRGUYRKSA-N 299.396 0.581 10 10 CCCE O=[N+]([O-])c1cc(N2CC(n3cncn3)C2)ccc1CO 2188573704 JIYGWLSWWJVQOJ-UHFFFAOYSA-N 275.268 0.740 10 10 CCCE O=C1Nc2cc(N3C[C@@H]4[C@H](CO)[C@@H]4C3)c(F)cc2[C@H]1O 2182048159 XEDZRJYWCRPREP-LOKDSWTASA-N 278.283 0.486 10 10 CCCE CC1(C)C[C@@H](O)[C@@H](O)CN1C(=O)c1cccc(O)c1O 2188682413 YKLMACFYXPSOIX-MNOVXSKESA-N 281.308 0.444 10 10 CCCE O=C(O)CC1(O)CN(Cc2cc(F)ccc2O)C1 2048109492 RLXUXMLDZKIIBB-UHFFFAOYSA-N 255.245 0.553 10 10 CCCE N[C@H]1CCc2cc(N3C[C@@H]4C[C@H](C3)[C@@H](O)[C@@H]4O)ccc21 2184740042 OTKQIBGOUVTCON-GRIRQICOSA-N 274.364 0.811 10 10 CCCE [N-]=[N+]=NCC1(CNS(=O)(=O)CC2CC(=O)C2)CC1 2054029575 JRSZNBKHSGIMEC-UHFFFAOYSA-N 272.330 0.975 10 10 CCCE O=C(N=c1ccnc(F)[nH]1)c1cc(O)nc(O)c1 2058731195 MOVBCKOPTHTKRY-UHFFFAOYSA-N 250.189 0.096 10 10 CCCE CN(C(=O)c1cc(O)nc(O)c1)[C@H]1CCNCC12CC2 2185892942 IOZZVTNDSKSYSS-JTQLQIEISA-N 277.324 0.707 10 10 CCCE Nc1ccc(OCCN2CCN3CCOC[C@@H]3C2)cc1 2185885692 SMZFBYJTDQYKCT-AWEZNQCLSA-N 277.368 0.664 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCNCC12CC2 2185901808 ODWOUVSHRKBTTL-ZDUSSCGKSA-N 276.336 0.899 10 10 CCCE CN(C(=O)c1cccc(O)c1O)C1CC(CN)C1 2073304081 XQESYAMKYURXFD-UHFFFAOYSA-N 250.298 0.907 10 10 CCCE CC1(C)[C@@H](CO)OCCN1Cc1cc(N)ccc1O 2103382416 UIZJNGDBWXJXBU-CYBMUJFWSA-N 266.341 0.946 10 10 CCCE Cc1cccc(CNC(=O)[C@]2(N)C[C@@H](O)C2)c1O 2084060617 JRDGERWFOWTVBH-GSJFWJNXSA-N 250.298 0.169 10 10 CCCE COc1cc(N2CC(N(C)OC)C2)ccc1CO 2084014827 XIAVNFHPOGSCLK-UHFFFAOYSA-N 252.314 0.869 10 10 CCCE CS(=O)(=O)[C@H]1COC[C@@H]1NCc1ccc(N)cc1 2086304214 AAPNCBPXNYMJTI-RYUDHWBXSA-N 270.354 0.170 10 10 CCCE CN(CCS(=O)(=O)CC(=O)O)c1ccc(CN)cc1 2106406445 QBECFRATYKBMRQ-UHFFFAOYSA-N 286.353 0.081 10 10 CCCE CCN1CCc2cc([C@@]3(O)CNCCOC3)ccc21 2106790482 INTJLZCBQFNJCQ-OAHLLOKOSA-N 262.353 0.876 10 10 CCCE CC[C@H]1CCNC[C@@H]1NC(=O)c1cc(O)nc(O)c1 2107377659 JGPKECSOOKYJSY-WPRPVWTQSA-N 265.313 0.611 10 10 CCCE CN(c1ccc(N)cc1)S(=O)(=O)[C@H](C(=O)O)C1CC1 2110741283 MFOLNAYRYJIWGR-NSHDSACASA-N 284.337 0.898 10 10 CCCE Nc1ccc(CCC(=O)NC[C@H]2COC[C@@H]2O)cc1 2097827340 JYMWUVKPYZLUNQ-AAEUAGOBSA-N 264.325 0.325 10 10 CCCE C[C@@](O)(Cn1ccc2c(c1=O)CNCC2)C(F)(F)F 2099374304 QUDSDUDLYNSGQS-LLVKDONJSA-N 276.258 0.807 10 10 CCCE Cc1cc(CN)ccc1N1CC(N2CCOCC2)C1 2113197216 PVDROUCMQQTIBT-UHFFFAOYSA-N 261.369 0.975 10 10 CCCE Cc1nc([C@@H](O)[C@H](N)c2ccc(N(C)C)cc2)n(C)n1 2203515715 BUYVUTDPDVCJOP-OLZOCXBDSA-N 275.356 0.923 10 10 CCCE Nc1ccc(OCC(=O)NC[C@@H]2C[C@@H]3NCC[C@@H]32)cc1 2205640706 LHILVOGJTQPHJV-GDLCADMTSA-N 275.352 0.762 10 10 CCCE CN(Cc1ccccc1O)C(=O)c1nc(CN)no1 2270249564 YLEOOXOJMDELSQ-UHFFFAOYSA-N 262.269 0.506 10 10 CCCE C[C@@H](O)c1ccc(N2CC[C@@](O)(CO)[C@@H](O)C2)c(F)c1 2234098190 RKDNXPDWZWULNE-BIGNPOOSSA-N 285.315 0.173 10 10 CCCE NCc1ccc(N2C[C@@H]3COC[C@]3(CO)C2)c(F)c1 2226165099 YFXSEIORJBKRCP-BXUZGUMPSA-N 266.316 0.730 10 10 CCCE CNC(=O)[C@@H](C)N(C)c1ccc(OC)cc1C(=O)O 2227669497 CYUASSPOFPJHIG-MRVPVSSYSA-N 266.297 0.964 10 10 CCCE COc1ccc(N2C[C@@H](CO)C[C@H]2CO)c(CO)c1 2227710258 CVTNHGLQXZPYPD-JQWIXIFHSA-N 267.325 0.367 10 10 CCCE Nc1ccc(CC(=O)N2C[C@H]3CCO[C@@]3(CO)C2)cc1 2239905649 ZBEFITKZXIYZOZ-IUODEOHRSA-N 276.336 0.421 10 10 CCCE NCc1ccc(N2CC(O)(C(F)(F)CO)C2)c(Cl)c1 2272891680 DKSWIJJIBSHJRE-UHFFFAOYSA-N 292.713 0.977 10 10 CCCE O=C1Nc2cc(N3CC[C@]4(O)C[C@H]4C3)ccc2[C@H]1O 2265196168 SYCOKYAMNPADJX-PELMWDNLSA-N 260.293 0.633 10 10 CCCE Cc1cc(N2CC[C@@](O)(CO)[C@@H](O)C2)ccc1[C@@H](C)O 2285168104 ZBFBEFQUQKFZPU-BYCMXARLSA-N 281.352 0.343 10 10 CCCE N[C@@H]1[C@@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)[C@H]2CCC[C@@H]12 2309636719 FFQWIBBEFXIZCC-SRJZHTMISA-N 250.342 0.625 10 10 CCCE C[C@@H](O)c1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)c(Cl)c1 2332915999 KBSKVSHGOCGCFK-YAUNCSCZSA-N 287.743 0.296 10 10 CCCE Nc1ccc(OCC(=O)NC[C@@H]2[C@H]3CN[C@@H]2C3)cc1 2333090879 IGTCDGUQBQPWPV-OASPWFOLSA-N 261.325 0.372 10 10 CCCE CC(C)NC(=O)CCN(CC(N)=O)Cc1ccc(N)cc1 54048601 UDTVJUKLAMATPB-UHFFFAOYSA-N 292.383 0.471 10 10 CCCE Nc1ccc(OCC(=O)N[C@H]2CCCOC2)cc1 103962069 MICUXTPVYDYSOO-NSHDSACASA-N 250.298 0.943 10 10 CCCE NC1CCN(CC(=O)c2ccc(O)c(O)c2)CC1 50158278 RFTTWNMISBPZGP-UHFFFAOYSA-N 250.298 0.704 10 10 CCCE CN(C)CCN(C)C(=O)COc1ccc(N)cc1 104190983 XDHZTOAKPMGXOK-UHFFFAOYSA-N 251.330 0.668 10 10 CCCE CN(C)C(=O)CNC(=O)c1ccn(-c2ccc(N)cc2)n1 35427929 GBIRVNJWNBBRBD-UHFFFAOYSA-N 287.323 0.273 10 10 CCCE CN(C)c1ccc(/C=C/C(=O)N[C@@H]2COC[C@@H]2O)cc1 323003467 SQBFVUKVRCJSAX-AMVTZNPPSA-N 276.336 0.642 10 10 CCCE CCOc1cccc(CN2CCNC[C@@H]2C(=O)NC)c1O 89083055 BPUPFLBGRUGCRE-GFCCVEGCSA-N 293.367 0.311 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCc1ccccn1 40458534 ANFOBJAQWXCSHC-LBPRGKRZSA-N 287.319 0.679 10 10 CCCE COc1cc2c(c(OC)c1OC)C(=O)NCCN2CCN 527431852 COVGEMBPIQSZTD-UHFFFAOYSA-N 295.339 0.221 10 10 CCCE Cn1cc([C@H]2NC(=O)N(c3ccc(N)cc3)C2=O)nn1 2166724874 OVLSFNLDOZQLMS-SNVBAGLBSA-N 272.268 0.195 10 10 CCCE COc1cc(C(=O)NC2CC(C)(CN)C2)cc(OC)n1 2166937482 SUOBEZVCTWXAKJ-UHFFFAOYSA-N 279.340 0.956 10 10 CCCE COc1cc(C(=O)N[C@@H]2CNCCSC2)cc(OC)n1 2166941711 ZWQPCHBRZFUDRO-SNVBAGLBSA-N 297.380 0.534 10 10 CCCE N=c1[nH][nH]cc1[C@H](NN)c1ccc(N2CCCC2)cc1 2163104282 CURAEOXUVPKNSM-CYBMUJFWSA-N 272.356 0.975 10 10 CCCE C[C@H](N)c1ccc(N2CCN3C(=O)NC[C@@H]3C2)cc1O 723182647 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COc1cccc(CNC[C@H]2C[C@H](C(=O)O)CO2)c1O 714027396 HCYUNHFXUNPZIQ-WDEREUQCSA-N 281.308 0.980 10 10 CCCE C[C@H](CO)CN(C)c1cc2c(cc1F)[C@H](O)C(=O)N2 688700248 POWQZNTYGUCSOH-MADCSZMMSA-N 268.288 0.876 10 10 CCCE NCc1ccc(N2CCN3C(=O)NC[C@@H]3C2)c(F)c1 91751374 XZUGKZVEOOMYMM-SNVBAGLBSA-N 264.304 0.498 10 10 CCCE Nc1ccc(OC[C@H](O)CN2CCO[C@H]3C[C@H]32)cc1 2115224070 YULSBEQFTVXMJK-BNOWGMLFSA-N 264.325 0.482 10 10 CCCE C[C@]1(CO)C[C@H](O)CN1C(=O)/C=C\c1ccc(O)c(O)c1 1453741789 GRNFKRCEKKWQBE-JRKASCDPSA-N 293.319 0.455 10 10 CCCE [N-]=[N+]=N[C@@H]1CCC[C@H]1NC(=O)C1CS(=O)(=O)C1 2213587365 HGGFEKSTVAWLDY-HTQZYQBOSA-N 258.303 0.379 10 10 CCCE COc1ccc(N2CC[C@@H](CO)[C@@H](N)C2)c(OC)c1 2122377040 CZQQQFNMUFEBLG-JQWIXIFHSA-N 266.341 0.850 10 10 CCCE NC(=O)C[C@@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 1566230650 GXDHOKPIHKEUCC-NSHDSACASA-N 292.335 0.754 10 10 CCCE NC(=O)[C@@H]1CCCN1Cc1cc2c(cc1O)OCO2 160363082 OYZABSKODMCUTF-VIFPVBQESA-N 264.281 0.571 10 10 CCCE CC(C)NC(=O)[C@H]1COCCN1c1ccc(N)cc1 159287798 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C[C@H]1CN(C(=O)CN(C)CCN=[N+]=[N-])C[C@@H](C)O1 1912150451 TVLIZUBXYJDXHX-AOOOYVTPSA-N 255.322 0.864 10 10 CCCE COC(=O)[C@](C)(NCCN=[N+]=[N-])c1ncnn1C 1912178104 KLNGAOUOXNULHB-SECBINFHSA-N 253.266 0.103 10 10 CCCE [N-]=[N+]=NC[C@H]1CCN(C(=O)C[C@H]2COCCO2)C1 1912184975 KPBWBDOPICIYON-ZJUUUORDSA-N 254.290 0.951 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)N1CCC[C@@H](O)C1 1914105726 NKDPNVHPBOYKKG-LLVKDONJSA-N 280.324 0.807 10 10 CCCE C[C@@H](O)[C@H]1CCN(C(=O)c2ccc(O)c(O)c2)C1 227688779 AXQWBKCXWLZUAD-SCZZXKLOSA-N 251.282 0.941 10 10 CCCE COCc1noc(CNCc2ccc(O)c(O)c2O)n1 1926283559 PRNSUJOGWXHOHA-UHFFFAOYSA-N 281.268 0.623 10 10 CCCE Nc1ccc(CCNS(=O)(=O)NCC(F)(F)F)cc1 126108821 ABMFNZIWXUONAI-UHFFFAOYSA-N 297.302 0.798 10 10 CCCE CCOC(=O)[C@@H](N)CCc1cc(O)c(O)c(OC)c1 1951525102 RQRCPNSVFPJVDH-VIFPVBQESA-N 269.297 0.929 10 10 CCCE CN(C)Cc1cc([C@H](CN)CC(=O)O)ccc1O 1951778923 BYIBGLPKBQXSSG-JTQLQIEISA-N 252.314 0.971 10 10 CCCE Nc1ccc(N2C(=O)NC[C@H]([C@H]3CCOC3)C2=O)cc1 2150159335 FRYXXEKOKURATC-JOYOIKCWSA-N 275.308 0.978 10 10 CCCE Nc1ccc(OCCC(=O)N2CC[C@H](O)[C@@H](F)C2)cc1 2144587845 JFUXGOROFTYSFP-STQMWFEESA-N 282.315 0.969 10 10 CCCE NCCC[C@@H]1CN(Cc2ccccc2O)C(=O)CO1 258414388 ZSVCERCEOUXKOX-GFCCVEGCSA-N 264.325 0.859 10 10 CCCE C[C@@H](Nc1c(N)cccc1C(N)=O)[C@@H]1CCS(=O)(=O)C1 2146105672 IAGRZLZQJVBDDY-RKDXNWHRSA-N 297.380 0.603 10 10 CCCE CNC(=O)OC1CN(c2cc(OC)c(OC)cc2N)C1 2146890156 UIZJOUHHVQYWFS-UHFFFAOYSA-N 281.312 0.831 10 10 CCCE Nc1ccc(CN2C(=O)[C@@H]3[C@@H]4CC[C@@H](O4)[C@H]3C2=O)cc1 2153253630 DFCYUOITPFBIBF-YVECIDJPSA-N 272.304 0.931 10 10 CCCE O=[N+]([O-])c1cc(CO)ccc1N1C[C@@H](O)[C@H](F)C1 2031872885 STZDXDPMYSSDNL-LDYMZIIASA-N 256.233 0.606 10 10 CCCE C[C@@H](NC[C@H]1CCS1(=O)=O)c1cc(O)ccc1O 2033301214 VLLWDEHCCRAICW-PSASIEDQSA-N 271.338 0.936 10 10 CCCE C[C@H](N[C@@H]1CC(=O)NC1=O)c1c(O)cccc1O 2034957843 OONJSQZKPUWBFH-NKWVEPMBSA-N 250.254 0.164 10 10 CCCE CC(C)(C)n1nnc(C(=O)[C@@H]2CCC(=O)C2=O)n1 2035493616 WCNZTXCPTLOFLV-ZCFIWIBFSA-N 250.258 0.159 10 10 CCCE C[C@H](CS(N)(=O)=O)NC(=O)Nc1ccc(N)cc1 2035451918 OMSSACPSWGCMCJ-SSDOTTSWSA-N 272.330 0.067 10 10 CCCE CC(=O)NCCN(C)c1c(F)cc(CN)cc1F 308204365 GXQPQDJXAWPPOB-UHFFFAOYSA-N 257.284 0.996 10 10 CCCE NC(=S)[C@H]1CCN(C(=O)c2ccc(O)c(O)c2)C1 703776945 NCWKCTNVPJRKLS-QMMMGPOBSA-N 266.322 0.846 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1C[C@@H]2C[C@H](C[C@@H]2O)C1 2163568517 KVXIJOSVFDKUDA-MDZLAQPJSA-N 277.320 0.870 10 10 CCCE CN1CCc2cc(CN[C@@H]3CCOC[C@H]3O)ccc21 706773822 UUGSBJLYRJJDIF-UKRRQHHQSA-N 262.353 0.918 10 10 CCCE C[C@@H]1CNC[C@@H]1CNC(=O)c1cccc(O)c1O 708575910 WKOCWTDOZWFVON-RKDXNWHRSA-N 250.298 0.683 10 10 CCCE COC(=O)[C@@]1(NCCN=[N+]=[N-])CN(C)C(C)(C)C1 694145863 WRULORQHKGYBQL-NSHDSACASA-N 255.322 0.912 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3CCSC[C@H]3CO)ccc21 387997176 YKMMOWUIDPJZRW-MFKMUULPSA-N 293.392 0.813 10 10 CCCE O=C(NCc1csnn1)c1ccc(O)c(O)c1 398256907 RULOWWBGBWHIGC-UHFFFAOYSA-N 251.267 0.879 10 10 CCCE CNC(=O)[C@H]1CCN(c2ccc(CN)cc2F)C1 398498722 WMPVHFDEIOLGIX-JTQLQIEISA-N 251.305 0.857 10 10 CCCE COc1cccc(O)c1CN1C[C@H]2OCCN(C)[C@@H]2C1 769481533 BQMPPCUPEQKNML-IUODEOHRSA-N 278.352 0.916 10 10 CCCE CN(CCn1cncn1)CC(=O)Nc1ccc(N)cc1 2170115390 DZSIGNKKVBVVFL-UHFFFAOYSA-N 274.328 0.431 10 10 CCCE Nc1ccc(CNCC2(CO)CCS(=O)(=O)CC2)cc1 2199829004 BTMQTWDXGXEDDJ-UHFFFAOYSA-N 298.408 0.546 10 10 CCCE Nc1cc2c(cc1N1CCN[C@@H](CCO)C1)OCCO2 2191571870 KMVBYLAWQCXNRO-JTQLQIEISA-N 279.340 0.201 10 10 CCCE COc1ccc(N2CCN([C@@H]3CCNC3)CC2)c(N)c1 2191578833 WIZXYHRZHQZFTN-GFCCVEGCSA-N 276.384 0.761 10 10 CCCE C[C@H]1CN(C(=O)Cc2ccc(N)cc2)C(C)(C)C(=O)N1 2186203069 GKMSQZFKJXTLJZ-JTQLQIEISA-N 275.352 0.937 10 10 CCCE Nc1cccc(C(=O)O)c1N[C@@H]1CCNCC[C@H]1CO 2191698089 LYUTYLBOHVCONV-JOYOIKCWSA-N 279.340 0.739 10 10 CCCE Nc1ccc(OCC(=O)N2C[C@H]3CC[C@H]2[C@@H](N)C3)cc1 2191711015 WPYXCJBLBDQYIZ-BPNCWPANSA-N 275.352 0.986 10 10 CCCE COc1cc(C(=O)N[C@H]2C[C@H](N)C2)cc(OC)n1 2048068218 ISDDULBAEMQROY-KYZUINATSA-N 251.286 0.318 10 10 CCCE O=C(NCC1(F)COCCOC1)c1cccc(O)c1O 2187192260 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NC(=O)[C@@H]1CC[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)C1 2188926109 XIOYFLIJGLKDLD-HTRCEHHLSA-N 280.280 0.187 10 10 CCCE COCCN(Cc1ccc(OC)cc1O)C1CNC1 2103938807 BKBIQSDIZKQHHU-UHFFFAOYSA-N 266.341 0.821 10 10 CCCE CN(C)c1ccc([C@H](N)[C@H](O)c2cnnn2C)cc1 2106853173 NZTRDGODUWXCFI-QWHCGFSZSA-N 261.329 0.615 10 10 CCCE O=C(O)c1cc(O)ccc1NS(=O)(=O)NC1CCC1 2089252369 SUFBWFRSDJWIJS-UHFFFAOYSA-N 286.309 0.889 10 10 CCCE CC[C@@H](c1ccccc1O)N1CC(NC)(C(N)=O)C1 2109491873 YIVNVXHOMOGJFC-NSHDSACASA-N 263.341 0.602 10 10 CCCE C[C@@H](NC1CC(NC(N)=O)C1)c1cc(O)ccc1O 2096549430 LNFMLLNJJAKIFV-AFPNSQJFSA-N 265.313 0.948 10 10 CCCE OCC1(O)CN(c2ccc3c(c2)OCCCO3)C1 2219643528 SQSKOYGBCXMVKV-UHFFFAOYSA-N 251.282 0.391 10 10 CCCE CS(=O)(=O)[C@@H](CNC(=O)c1cccc(O)c1O)C1CC1 2232816528 LIHIPDZCYSFBMP-NSHDSACASA-N 299.348 0.651 10 10 CCCE C[C@]1(O)C[C@H]2[C@@H]1CCN2S(=O)(=O)Cc1ccc(N)cc1 2233812401 DZDOKBBORJPTBV-IHRRRGAJSA-N 296.392 0.944 10 10 CCCE OC[C@H](O)[C@@H]1COCCN1c1ccc(OC2CC2)cc1 2235095772 DCCYWZPRRADMKI-GJZGRUSLSA-N 279.336 0.786 10 10 CCCE COC[C@@H]1[C@@H](O)[C@@H](O)CN1c1ccc([C@H](C)N)cc1 2225702406 PYWOGWDNYGMTPF-GSVCSZOMSA-N 266.341 0.263 10 10 CCCE [N-]=[N+]=N[C@@H]1CCC[C@@H]1NC(=O)N[C@@H]1CCS(=O)(=O)C1 2225794099 CNLBEGXILKPMOL-HRDYMLBCSA-N 287.345 0.704 10 10 CCCE CNCc1cc(OC)ccc1N1CCC(O)(CO)CC1 2235977967 XIBRMKSJQSSCMI-UHFFFAOYSA-N 280.368 0.738 10 10 CCCE O=[N+]([O-])c1ccc(N2C[C@@H](F)C[C@@H](O)C2)cc1CO 2226286456 WSTJWWHSBGYPRB-GXSJLCMTSA-N 270.260 0.996 10 10 CCCE CN1CCc2cc(N3CCN(C)[C@H](CO)C3)ccc21 2226802002 KLZHUTXFCHBXCH-AWEZNQCLSA-N 261.369 0.792 10 10 CCCE O=c1c2c(ccn1CCCc1cn[nH]c1)CCNC2 2228425541 STBRSOCWJLVHPZ-UHFFFAOYSA-N 258.325 0.850 10 10 CCCE N=c1nnc(Nc2ccc3c(c2)CCC(=O)N3)n[nH]1 2229800223 QBEZZBLVUUOXKK-UHFFFAOYSA-N 257.257 0.307 10 10 CCCE CSc1ncc(CNC(=O)c2c[nH]c(=O)cn2)s1 2256945706 ARCWOLNLSVRICO-UHFFFAOYSA-N 282.350 0.878 10 10 CCCE O=C1Nc2cc(N3C[C@@H]4C[C@H](C3)[C@H]4O)ccc2[C@@H]1O 2270713729 HSEBQJINRVKFIE-XXHBBNRNSA-N 260.293 0.489 10 10 CCCE Nc1ccc(CC(=O)N2C[C@H](O)CC[C@@H]2C(=O)O)cc1 2279213492 SWAXUOSASUBWJP-VXGBXAGGSA-N 278.308 0.248 10 10 CCCE Cc1cc(N2C[C@H](O)[C@@H](O)[C@H]2CF)ccc1[C@H](C)O 2269675865 GHZGTDUPRQGOIB-VZLIPTOUSA-N 269.316 0.928 10 10 CCCE C[C@@H]1O[C@]2(C(=O)N(C)Cc3ccccc3O)C[C@@]1(N)C2 2280777656 NJLVAVXVGODQRJ-LKTVYLICSA-N 276.336 0.999 10 10 CCCE CN1C(=O)NC(=O)C(=Cc2nc3ccccc3[nH]2)C1=O 2295923788 ZAYRTXNZWGSVSF-UHFFFAOYSA-N 270.248 0.655 10 10 CCCE NC(=O)[C@H]1C[C@H](N)CN(c2ccc(OC(F)F)cc2)C1 2295941071 KZNXONZGLKGMIN-IUCAKERBSA-N 285.294 0.927 10 10 CCCE CC(C)[C@@]1(NC(=O)Cc2ccc(N)cc2)CCNC1=O 2296522045 WKIQQTHMUCSXPN-HNNXBMFYSA-N 275.352 0.842 10 10 CCCE CC[C@@H](O)c1ccc(N2C[C@H](O)[C@H](O)[C@H](CO)C2)cc1 2289357540 IHXJVSXJQLPCHY-PMOUVXMZSA-N 281.352 0.280 10 10 CCCE N[C@@H]1[C@@H]2CC[C@H]1N(C(=O)Cc1ccc(O)c(O)c1)C2 2296779886 NDYBPZZXGHOODW-GPCCPHFNSA-N 262.309 0.588 10 10 CCCE Cc1cc([C@H](C)O)ccc1N1CC([C@H](O)CO)C1 2315276435 OLLZAOQIAQJZME-IINYFYTJSA-N 251.326 0.838 10 10 CCCE O=C(NC[C@@]12CC[C@@H](C1)NC2)c1cccc(O)c1O 2338323018 NNSMMGHLAFLFHQ-XPTSAGLGSA-N 262.309 0.970 10 10 CCCE Cc1ccc(O)c(CN2CCNC[C@H]2CC(N)=O)c1 2343305909 WTJNETMRSCCJFG-GFCCVEGCSA-N 263.341 0.350 10 10 CCCE CN(CCN)c1cc2c(cc1[N+](=O)[O-])OCCO2 54419487 IUDSXRNMNPMQPI-UHFFFAOYSA-N 253.258 0.761 10 10 CCCE CN1C(=O)/C(=C\NC2CCCCC2)C(=O)NC1=S 104919159 PBEPTOHXKPGDQR-CLFYSBASSA-N 267.354 0.666 10 10 CCCE CC(C)(CNCc1ccc(O)c(O)c1)OCCO 311184927 BPIHBISJLWRSNW-UHFFFAOYSA-N 255.314 0.975 10 10 CCCE O=C(c1cccc(O)c1O)N1CC[C@@H]2C[C@H]1[C@H](O)[C@@H]2O 2357593157 SEDZIXKFYKLHMQ-VZSZJBGBSA-N 279.292 0.054 10 10 CCCE CC(=O)NC1CCN(C(=O)COc2ccc(N)cc2)CC1 133320066 LLQNRDSTIIOSPI-UHFFFAOYSA-N 291.351 0.775 10 10 CCCE Nc1ccc(CNS(=O)(=O)c2ccn[nH]2)cc1 223192045 KQKKLQATBSTSND-UHFFFAOYSA-N 252.299 0.470 10 10 CCCE COC(=O)N[C@@H]1CCN(c2cc3c(cc2N)OCCO3)C1 133484708 VBDDYPUFLMDZER-SECBINFHSA-N 293.323 0.975 10 10 CCCE CC(=O)N[C@@H]1CCN(CC(=O)N(C)c2ccc(N)cc2)C1 133843591 LTTDCIVAYUAVKY-CYBMUJFWSA-N 290.367 0.442 10 10 CCCE CCCN(CCO)CC(=O)Nc1ccc(N)cc1 42452463 PXKISBIWEPDCLO-UHFFFAOYSA-N 251.330 0.912 10 10 CCCE O=C(O)c1cc(O)ccc1NS(=O)(=O)C1CC1 80935620 XCKIFOFXILBJKZ-UHFFFAOYSA-N 257.267 0.995 10 10 CCCE Nc1nc(O)c(CC(=O)O)cc1OC(F)(F)F 514273606 BZUDKWOGCYWVRB-UHFFFAOYSA-N 252.148 0.895 10 10 CCCE CN(CC(C)(C)O)C(=O)COc1ccc(N)cc1 92958074 FBGQSJGXIJKVPY-UHFFFAOYSA-N 252.314 0.877 10 10 CCCE Nc1ccc(OCCCN2CCOCC2=O)cc1 93225193 KCRQUAYGYARVRD-UHFFFAOYSA-N 250.298 0.897 10 10 CCCE C[C@H](CC[S@](C)=O)NC(=O)c1ccc(O)c(O)c1 235432599 AMJALHQDOBLDJA-CVJBHZAOSA-N 271.338 0.985 10 10 CCCE CCOCCOCC(=O)NCCc1ccc(N)cc1 236909361 OQTYTQNWWQUZMV-UHFFFAOYSA-N 266.341 0.981 10 10 CCCE CN[C@@H]1COC[C@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1 90434695 UFLPIYBCWGIYFT-HUUCEWRRSA-N 291.395 0.945 10 10 CCCE C[C@H](C(N)=O)N(C)c1cc2c(cc1Cl)[C@H](N)C(=O)N2 723191699 KWUUCFIHIUZROB-FWOIEVBISA-N 282.731 0.602 10 10 CCCE O=C(NCCC1CC(O)C1)c1cc(O)c(O)c(O)c1 2132350027 JSLTWOBRYPQJHU-UHFFFAOYSA-N 267.281 0.694 10 10 CCCE C[C@@H](N)c1ccc(N2CCN3C(=O)NC[C@@H]3C2)cc1O 723182649 NPEIWKHFSKJACB-MWLCHTKSSA-N 276.340 0.626 10 10 CCCE C[C@@H]1CNC[C@@H](C)N1C(=O)c1cc(O)c(O)c(O)c1 2132413697 PJBGVGDLIXZNEY-HTQZYQBOSA-N 266.297 0.626 10 10 CCCE CN[C@@H](C)c1ccc(N2CCOC[C@@H]2C(N)=O)cc1 723196458 RETUOYMVAWFCFY-GXFFZTMASA-N 263.341 0.658 10 10 CCCE N=c1[nH]c(CNC(=O)c2cc(O)c(O)c(O)c2)cs1 2132409344 DYPAGVJIFLCANQ-UHFFFAOYSA-N 281.293 0.602 10 10 CCCE N[C@@H](CNC(=O)c1cc(O)c(O)c(O)c1)C(F)(F)F 2132414599 YNBHUHDHPQTQBS-ZETCQYMHSA-N 280.202 0.423 10 10 CCCE C[C@H](c1c(O)cccc1O)N1CCN(CC(N)=O)CC1 700790111 KCHJWTCMGWFCAK-SNVBAGLBSA-N 279.340 0.262 10 10 CCCE COc1cc(O)c(CN2CCO[C@H]([C@H](C)O)C2)cc1OC 840978256 MRQIULNIZSXMIW-BONVTDFDSA-N 297.351 0.991 10 10 CCCE Nc1ccc(NC(=O)C(=O)N2CC[C@@H]3COC[C@H]3C2)cc1 850855382 XESQWDQLVYEXJM-GHMZBOCLSA-N 289.335 0.702 10 10 CCCE O=C(N[C@H]1CCN(C2CCC2)C1=O)c1cccc(O)c1O 863834225 AHLWPGDJZNEIEQ-NSHDSACASA-N 290.319 0.981 10 10 CCCE CCOc1cccc(CN2CCO[C@@H](CC(N)=O)C2)c1O 862534806 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CN(C(=O)c1ccc(O)c(O)c1)C(C)(C)C(=N)NO 703731986 HZQIWNDFDQAEFZ-UHFFFAOYSA-N 267.285 0.904 10 10 CCCE C[C@H](c1cc(O)ccc1O)N1CCOC[C@]1(CN)CO 693978582 RKNLMLMRQPUGTN-YGRLFVJLSA-N 282.340 0.181 10 10 CCCE COc1ccc(CN2CCO[C@H]3CNC[C@H]32)c(O)c1 686535529 UECCIOFDPAXWLE-OCCSQVGLSA-N 264.325 0.573 10 10 CCCE CNC(=O)NCC(=O)NCc1ccc2cccnc2c1O 1469248293 GDMJUUYYHNYGHC-UHFFFAOYSA-N 288.307 0.486 10 10 CCCE COC(=O)C1CN(C(=O)CCc2ccc(N)cc2)C1 2117776223 LBYHQMGAZWWPKR-UHFFFAOYSA-N 262.309 0.833 10 10 CCCE COc1ccc(N2CCCN(C)C(=O)[C@@H]2CO)cc1 217096796 AFKOSJPYNSBKCJ-ZDUSSCGKSA-N 264.325 0.725 10 10 CCCE Cc1ccc(N2NC(=O)[C@@H](CCN)C2=O)cc1Cl 106668155 AZZIDDAARWUZME-SECBINFHSA-N 267.716 0.991 10 10 CCCE NCc1cc(F)c(N2C[C@@H]3OC(=O)N[C@@H]3C2)c(F)c1 2120406852 AULVXOMYJFKXAU-ZJUUUORDSA-N 269.251 0.721 10 10 CCCE COc1cc(N)c(N2CCNC(=O)CC2)cc1OC 213438662 PIWPDURFAOZLDX-UHFFFAOYSA-N 265.313 0.612 10 10 CCCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1C[C@H]1C(N)=O 1567467866 UCROSSGQFHYFFQ-SFGNSQDASA-N 278.308 0.266 10 10 CCCE CO[C@](C)(CO)CNC(=O)c1ccc(N=NC(N)=O)cc1 1644124303 ALOOYXVPMKPJSI-ZDUSSCGKSA-N 294.311 0.976 10 10 CCCE O=C(NCc1c(O)cccc1O)[C@H](O)c1ccccn1 1645363113 NBIXJIHEZQKIMN-CYBMUJFWSA-N 274.276 0.843 10 10 CCCE Nc1ncnc(SCC(=O)c2ccc(O)c(O)c2)n1 1644296621 KMUSBZOCZFEDTG-UHFFFAOYSA-N 278.293 0.840 10 10 CCCE O=C(O)[C@@H]1C[C@H](O)CN1Cc1ccc(F)cc1O 1964726247 KZLGOOMFMONDFG-UWVGGRQHSA-N 255.245 0.551 10 10 CCCE N[C@H]1CCCc2cc(N3CC[C@](O)(CO)C3)ccc21 2128274484 PCSRISANRMGTFT-LSDHHAIUSA-N 262.353 0.956 10 10 CCCE NC(=O)[C@@H]1COCCN1c1ccc(/C=C/C(=O)O)cc1 159024465 UOHZDDKJJLNYPH-UXONFWTHSA-N 276.292 0.475 10 10 CCCE CC(C)Cn1cc([C@H](NCCN=[N+]=[N-])C(N)=O)nn1 1912152781 BIDUGPPQTXEQCL-VIFPVBQESA-N 266.309 0.360 10 10 CCCE CN(c1ccc(N)cc1)S(=O)(=O)N1CC[C@@H](O)C1 1914154317 QQIJHCPYDYFFNP-LLVKDONJSA-N 271.342 0.016 10 10 CCCE COC1(CCN)CN(Cc2ccc(O)c(O)c2)C1 1915972214 YBVQAZIVHRNQRC-UHFFFAOYSA-N 252.314 0.647 10 10 CCCE Nc1ccc(OCC(=O)N2CC(O)(C3CC3)C2)cc1 227190663 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CCCE O=C(NCc1ccccc1O)[C@]12CCOC[C@@H]1CNC2 715476920 MYRRTSDMRGZDPY-WFASDCNBSA-N 276.336 0.635 10 10 CCCE C[C@H](N)c1ccc(N2C[C@@H]3C(=O)NC(=O)[C@H]3C2)cc1 387472998 UDOMQHGVXJCQMM-UWJYBYFXSA-N 259.309 0.415 10 10 CCCE CC(=O)c1ccc(O)c(CN2CC[C@H](O)[C@H](CO)C2)c1 396869164 WSNHHEBRLWAEIJ-ZFWWWQNUSA-N 279.336 0.770 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NCC[C@H]1CCC(=O)N1 2062054255 WFTZAUMHVOVQNW-SNVBAGLBSA-N 278.308 0.425 10 10 CCCE Cc1cc(O)n2ncc(C(=O)N[C@H]3CCCC[C@@H]3O)c2n1 2062142334 AGCWUCOIACTGTP-QWRGUYRKSA-N 290.323 0.777 10 10 CCCE C[C@H](O)[C@H]1CN(c2ccc3c(c2)NC(=O)[C@@H]3N)CCO1 2174147896 KBESCDGZVCZVGY-ZEGGKSINSA-N 277.324 0.225 10 10 CCCE COC[C@@]1(C)COCCN1C(=O)c1ccc(O)c(O)c1 2168248021 GCQXZPGDVKLCNP-AWEZNQCLSA-N 281.308 0.975 10 10 CCCE C[C@H]1C[C@@H](CNC(=O)c2cc(O)c(O)c(O)c2)CN1C 2188868127 MKEIXEXNIUBOHZ-IUCAKERBSA-N 280.324 0.873 10 10 CCCE CN[C@H]1CCCc2cc(N3CC(O)(C(N)=O)C3)ccc21 2184683012 VJDADSRHDHAQDQ-ZDUSSCGKSA-N 275.352 0.320 10 10 CCCE 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CN(CCCN=[N+]=[N-])C(=O)[C@H]1C[C@H](S(C)(=O)=O)C1 2257560399 TZNVBCLFIATMLW-KYZUINATSA-N 274.346 0.968 10 10 CCCE C[C@H](NC(=O)c1ccc(O)c(O)c1)[C@H]1CCCN1 2258836672 VBJVGBBEUAOAJN-WCBMZHEXSA-N 250.298 0.968 10 10 CCCE O=C(NC(CF)(CF)C(=O)O)c1cccc(O)c1O 2277941681 LPTNCFOFSFMCKY-UHFFFAOYSA-N 275.207 0.590 10 10 CCCE CC1(O)[C@H]2C[C@H]1CN(c1ccc3c(c1)NC(=O)[C@H]3N)C2 2286200846 VLYODPFDOGQFIH-RVBZMBCESA-N 273.336 0.846 10 10 CCCE CCC[C@]1(NC(=O)c2ccc(O)c(O)c2)CCNC1=O 2289938428 JHTIWPQQBHGOLF-AWEZNQCLSA-N 278.308 0.886 10 10 CCCE COc1ccc(N2C[C@@H]3C[C@H]2[C@H](O)[C@@H]3O)c(F)c1 2312395153 VPNWFBSPBYECAY-VGYUKGMSSA-N 253.273 0.765 10 10 CCCE Nc1ccc(CCCN2CC([C@H](O)CO)C2)cc1 2315159202 NZFWXNUHWMINEW-CQSZACIVSA-N 250.342 0.486 10 10 CCCE CN(C)c1ccc(CN[C@@](C)(CN)C(=O)O)cc1 2324719768 FHGTYGLNVHBSPR-ZDUSSCGKSA-N 251.330 0.644 10 10 CCCE COc1ccc(N2CC([C@H](O)CO)C2)c2c1CCC2 2336874022 KZGTYHOTGXKTJC-CQSZACIVSA-N 263.337 0.973 10 10 CCCE CCOC[C@H](CN)N1CCc2cc(O)c(O)cc2C1 2341217382 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CC1(C)OCCO[C@@H]1[C@H](O)[C@@H](N)c1ccccc1O 1889174614 VZGBIUFKGXLJRY-YNEHKIRRSA-N 267.325 0.947 10 10 CCCE CCCOc1cc(N2CC[C@H](S(N)(=O)=O)C2)ccc1N 707299253 UWZKXRIIOSNWNT-NSHDSACASA-N 299.396 0.925 10 10 CCCE Nc1ccc(CC(=O)NCC2(N)CCOCC2)cc1 1332983109 WEQVLKFXOATZAS-UHFFFAOYSA-N 263.341 0.435 10 10 CCCE O=C(O)CN(Cc1ccccc1O)[C@@H]1CCS(=O)(=O)C1 86736901 LBZOGHJYAKCLAT-LLVKDONJSA-N 299.348 0.466 10 10 CCCE COc1cc(CNCC(=O)O)ccc1N1CCOCC1 212684463 SZVSJICZUDYOLS-UHFFFAOYSA-N 280.324 0.706 10 10 CCCE COc1cccc(CN[C@H]2CCO[C@@H]2C(N)=O)c1O 2117464057 VTZCOJMBRDEGRC-CABZTGNLSA-N 266.297 0.133 10 10 CCCE CC(C)(NC(=O)c1ccc(O)c(O)c1)[C@H](O)C(=O)O 2120355956 TXDJWPZUGWIASH-SECBINFHSA-N 269.253 0.052 10 10 CCCE CNS(=O)(=O)CCNCc1c(O)cccc1F 1964563856 GMZVWJZYMWHRGJ-UHFFFAOYSA-N 262.306 0.170 10 10 CCCE CN[C@@H](C)c1ccc(N2C[C@H](O)C[C@@H](O)C2)cc1O 2126909908 MXLRSDQEWHMFGL-MVWJERBFSA-N 266.341 0.605 10 10 CCCE C[C@@H]1CN(c2ccc3c(c2)OCO3)C[C@@H](CO)N1C 251616258 HGRBAHSDRXQXSM-PWSUYJOCSA-N 264.325 0.917 10 10 CCCE O=C(O)CC[C@@H](O)CNCc1ccc2c(c1)CCO2 259005269 NJTVNTSLTFFBIA-GFCCVEGCSA-N 265.309 0.937 10 10 CCCE CC(=O)N1CCN(C(=O)Nc2ccc(N)cc2)CC1 35407881 JHQAYNWTKVCERS-UHFFFAOYSA-N 262.313 0.965 10 10 CCCE CCN(CCO)C(=O)CNCc1cc(C)ccc1O 1857868027 NTUAUEYIVSYDAQ-UHFFFAOYSA-N 266.341 0.631 10 10 CCCE CO[C@@H]1CS(=O)(=O)C[C@H]1N1CCC[C@H](N=[N+]=[N-])C1 1912170741 BAYAIZKBCDZPSZ-IVZWLZJFSA-N 274.346 0.573 10 10 CCCE CCCO[C@@H]1CS(=O)(=O)C[C@@H]1N(C)CCN=[N+]=[N-] 1912195506 PCUFVGOLYVRIRO-VHSXEESVSA-N 276.362 0.821 10 10 CCCE CNC(=O)[C@H](C)N(C)[C@@H](C)C(=O)Nc1ccc(N)cc1 1916816943 WJKYPTONCUMLNR-UWVGGRQHSA-N 278.356 0.662 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NC1CC2(CNC2)C1 1918414898 XZQFSFADDJAOCD-UHFFFAOYSA-N 262.309 0.509 10 10 CCCE CNC(=O)[C@H](C)CN(C)C(=O)c1ccc(O)c(O)c1 227037797 JAPICDYAIRKXNN-MRVPVSSYSA-N 266.297 0.552 10 10 CCCE COC(=O)c1cccc(N)c1N[C@H]1COC[C@H]1N(C)C 1922023962 VEENLUWBNOEHEA-NWDGAFQWSA-N 279.340 0.796 10 10 CCCE O=C(O)[C@H]1C[C@H](O)CN1Cc1cc(F)cc(F)c1O 2136123119 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C[C@H]1CN(C[C@H](O)COc2ccc(N)cc2)CCO1 36669899 UBIIHFJCDPXROD-AAEUAGOBSA-N 266.341 0.729 10 10 CCCE Cc1cc(OCCS(C)(=O)=O)ccc1N1CCNCC1 161691165 IFSWZARLBPETRE-UHFFFAOYSA-N 298.408 0.828 10 10 CCCE O=S(=O)(Nc1ccc(O)cc1)[C@H]1C[C@H](CO)C1 1996137380 DMSSZVYULQHWFH-JLIMDTESSA-N 257.311 0.905 10 10 CCCE CCCN1C(=O)N[C@H](Cc2ccc(O)c(O)c2)C1=O 40226003 GDVOTMRSRZRCRZ-SECBINFHSA-N 264.281 0.971 10 10 CCCE C[C@H](CNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1)N(C)C 40469068 OFFZCSQFMVVQIL-KOLCDFICSA-N 281.356 0.034 10 10 CCCE N[C@H](Cc1ccc(O)c(O)c1)C(=O)O[C@@H]1CCCOC1 2152511153 XPDDQCZKZKEPBB-GHMZBOCLSA-N 281.308 0.690 10 10 CCCE NC(=O)[C@@H]1CC[C@@H](NCc2ccc(O)c(O)c2)C1 2029524663 FWPNNTSLGNWODS-NXEZZACHSA-N 250.298 0.841 10 10 CCCE [N-]=[N+]=N[C@@H]1CCCN([C@H]2CN(C3CC3)C[C@H]2O)C1 2039190737 ATFSBKVNIDVUQL-ADEWGFFLSA-N 251.334 0.969 10 10 CCCE Cc1cccc(O)c1CN1CCN[C@H]2CS(=O)(=O)C[C@@H]21 2160786040 KMMJLNLKNRJHMQ-STQMWFEESA-N 296.392 0.271 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC[C@@H]2CNC[C@@H]2CC1 380319453 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COC1(C(=O)O)CN(Cc2cc(C)ccc2O)C1 1917699368 NNMNXKVBOLREPA-UHFFFAOYSA-N 251.282 0.986 10 10 CCCE NCCc1nnc(NC(=O)Cc2ccc(N)cc2)o1 2138795366 WDHLFNOJUGYZJU-UHFFFAOYSA-N 261.285 0.334 10 10 CCCE CNC(=O)[C@@H]1CNCCN1[C@@H](C)c1ccc(F)cc1O 226998162 VNMHCRKYRALTCI-CABZTGNLSA-N 281.331 0.612 10 10 CCCE Nc1ccc(CCN(CCCO)CCCO)cc1 1922163591 VEUMEAPHWRGTIK-UHFFFAOYSA-N 252.358 0.878 10 10 CCCE O=C(NCc1ccc(CO)cc1)c1cc(O)nc(O)c1 227482465 DKWZLIUVSZLLTH-UHFFFAOYSA-N 274.276 0.915 10 10 CCCE CNC1(CC(=O)NCCc2ccc(O)c(O)c2)CC1 1925300375 RJXNHCRMEBVCFJ-UHFFFAOYSA-N 264.325 0.899 10 10 CCCE COc1cc(N2C[C@@H](OC)C[C@H]2CO)ccc1CO 2139682373 GWJWEMSTHGHSNM-STQMWFEESA-N 267.325 0.774 10 10 CCCE COc1cc(N2CCS(=O)(=O)[C@@H](C)C2)ccc1CN 2139688823 SXRGTDWPDSFLPP-JTQLQIEISA-N 284.381 0.777 10 10 CCCE CCNC(=O)NC(=O)CN(C)c1ccc(CN)cc1 1967636058 SKQASLCZAIHCBN-UHFFFAOYSA-N 264.329 0.427 10 10 CCCE Cc1cccc(CNC[C@@H]2CCS(=O)(=O)N2)c1O 1967791637 BVDPAXWROJTGKQ-NSHDSACASA-N 270.354 0.482 10 10 CCCE NC(=O)CN(C(=O)c1cccc(O)c1O)C1CCCC1 126331175 NTGBFAAESHKRGV-UHFFFAOYSA-N 278.308 0.968 10 10 CCCE COc1cccc(CN(CCO)C[C@H]2CCCN2)c1O 234972821 JRKAUFXWDWYHLD-CYBMUJFWSA-N 280.368 0.947 10 10 CCCE CCN(C[C@H](O)COc1ccc(N)cc1)C1CN(C)C1 2146891124 LPJPYRXRSMFWNJ-AWEZNQCLSA-N 279.384 0.644 10 10 CCCE Cc1cc(NS(=O)(=O)c2cnn(C)n2)cc(C)c1O 1970358879 ZAOHJHVUTPDTTI-UHFFFAOYSA-N 282.325 0.938 10 10 CCCE COc1cccc(CN2CCO[C@H]3[C@@H]2[C@H]3C(=O)O)c1O 2149292585 UKYQWMHIJYEHIS-NTZNESFSSA-N 279.292 0.685 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3CCCOCC3)cc21 155751362 ZFXRMFHGXCXPGO-CYBMUJFWSA-N 261.325 0.890 10 10 CCCE CN1C(=O)CC[C@@H](NCc2cccc(F)c2O)C1=O 158803559 KGVVMPYSNBMMLD-SNVBAGLBSA-N 266.272 0.768 10 10 CCCE CCCNC(=O)[C@@H]1COCCN1Cc1ccc(N)cc1 159389394 ZQJLQWUVUHIVQT-AWEZNQCLSA-N 277.368 0.996 10 10 CCCE C[C@@H]1OCCN[C@@H]1C(=O)NCCc1ccc(O)c(O)c1 2148006532 YWEPPOKTUVDZFL-ZANVPECISA-N 280.324 0.133 10 10 CCCE O=C1NC(=O)[C@H](CCCNCc2ccc(O)c(O)c2)N1 2150329866 MANQXYVACPWPGF-VIFPVBQESA-N 279.296 0.176 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)c1nnc2n1CCC2 40225937 MEYFMFRREJAUEB-VIFPVBQESA-N 260.297 0.878 10 10 CCCE CN1CCc2cc(CNC3(c4nn[nH]n4)CC3)ccc21 2151066702 ZFFNLZCQYPUDPP-UHFFFAOYSA-N 270.340 0.971 10 10 CCCE COC[C@@]1(O)CCN(c2ccc3c(c2)NC(=O)[C@H]3N)C1 2151887186 BXONQYYVSFDVMA-GXTWGEPZSA-N 277.324 0.226 10 10 CCCE CS(=O)(=O)C1CN(CCC(=O)Nc2ccc(N)cc2)C1 2152286425 LWMOIEHGYMTIDU-UHFFFAOYSA-N 297.380 0.326 10 10 CCCE O=C(O)[C@H]1CSCCN(C(=O)c2cc(O)nc(O)c2)C1 2153613225 MFLWUFUTTBILIN-MRVPVSSYSA-N 298.320 0.383 10 10 CCCE NCc1ccc(N2C[C@H]3CCS(=O)(=O)[C@H]3C2)cc1 2028424328 POOXWTWPKJHYIX-YPMHNXCESA-N 266.366 0.769 10 10 CCCE NCc1ccc(N2CCC([C@@H](O)CO)CC2)cc1 2035040090 HFRPUWSCHRSFKW-AWEZNQCLSA-N 250.342 0.715 10 10 CCCE CC[C@H](NC)c1ccc(N2C[C@@H](O)[C@H](O)C2)cc1 300507531 JLTNBKFVNHKUGD-BFHYXJOUSA-N 250.342 0.899 10 10 CCCE Oc1ccc(CN2CCN([C@@H]3CCNC3)CC2)cc1O 312933402 FZHQOGMQFGBJFL-CYBMUJFWSA-N 277.368 0.577 10 10 CCCE Nc1ccc(CC(=O)N2CCC[C@](O)(CO)C2)cc1 313658169 DMKUATOBGVSVRP-CQSZACIVSA-N 264.325 0.157 10 10 CCCE CC(=O)c1ccc(O)c(CN2C[C@H]3C[C@H]2[C@H](O)[C@H]3O)c1 2160691757 YHHGNZMTWOYZCX-DHMWGJHJSA-N 277.320 0.521 10 10 CCCE COC[C@@](C)(CO)N(C)c1ccc2c(c1)NC(=O)[C@H]2O 689232688 MAGIZBDDBPIGGS-GXTWGEPZSA-N 280.324 0.506 10 10 CCCE COc1ccc(CN[C@@H]2COCC[C@H]2O)c(O)c1 710892860 XXXRVPNCSXDTGU-VXGBXAGGSA-N 253.298 0.640 10 10 CCCE Oc1cc2c(cc1CNCCn1cncn1)OCO2 381980712 DRQJYGVYYIBXFI-UHFFFAOYSA-N 262.269 0.502 10 10 CCCE CCN(c1ccc(N)cc1)[C@@H]1CS(=O)(=O)C[C@@H]1OC 696812906 GCCFUKDMIPWDSD-OLZOCXBDSA-N 284.381 0.907 10 10 CCCE Nc1ccc(OC[C@H](O)CN2C[C@H]3C[C@H]2CO3)cc1 387389020 IAGXIELCRICJON-OUCADQQQSA-N 264.325 0.482 10 10 CCCE Cc1nc(C)c([C@@H](NCCCN=[N+]=[N-])C(N)=O)[nH]1 724773377 LWXWTSYYVONMOY-SECBINFHSA-N 251.294 0.843 10 10 CCCE CNCc1ccc(OC)c(C[S@](=O)CCC(N)=O)c1 399405618 IIWCANVUHRRHFN-LJQANCHMSA-N 284.381 0.539 10 10 CCCE COC(=O)c1nc(N(C)Cc2ccc(N)cc2)nn1C 2173192000 MNVCCHZBKAHPPU-UHFFFAOYSA-N 275.312 0.820 10 10 CCCE NC(=O)[C@H]1CCCC[C@@H]1NCc1ccc(O)c(O)c1O 2174105889 DKUILTJHPOPAGV-UWVGGRQHSA-N 280.324 0.937 10 10 CCCE C[C@H](O)[C@H]1CN(c2ccc3c(c2)NC(=O)[C@H]3O)CCO1 2174148376 CSVDCIADJQSTJK-CKLFPEKLSA-N 278.308 0.258 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NCc1cc(CO)n[nH]1 2176622766 FEEFFTTYFLPCPP-UHFFFAOYSA-N 277.280 0.172 10 10 CCCE C[C@H](NC(=O)[C@]1(N)CCS(=O)(=O)C1)c1ccccc1O 2192623348 FMDODERSEMXFEV-ZANVPECISA-N 298.364 0.085 10 10 CCCE CCN(CCN=[N+]=[N-])C(=O)[C@@H]1CN2CCN1CC2 2315986380 CRANZJWDDFTTNF-JTQLQIEISA-N 252.322 0.145 10 10 CCCE C[C@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)C[C@H](C)N1C 2188867813 HCZBXKSZIDLJHB-IUCAKERBSA-N 280.324 0.968 10 10 CCCE O=C1CCC[C@@H](CNC(=O)c2cc(O)c(O)c(O)c2)N1 2188919667 OPWSKEKEIKHYHZ-QMMMGPOBSA-N 280.280 0.202 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3C[C@@H]4C[C@@H]4[C@@H]3CO)ccc21 2198998539 WPHBFQLQPKIVMC-LDZXTUBUSA-N 273.336 0.716 10 10 CCCE C[C@@H]1C[C@@](O)([C@H](N)c2ccccc2O)CCS1(=O)=O 2095316751 OODBOPMITJPMBL-OASPWFOLSA-N 285.365 0.720 10 10 CCCE CC(C)([C@@H](O)[C@H](N)c1ccccc1O)S(C)(=O)=O 2047892828 FKRWOQGNWQBQPA-MNOVXSKESA-N 273.354 0.576 10 10 CCCE COc1ccc(N2C[C@H](N)C[C@@H](O)C2)c(OC)c1 2049114697 UMONRTCTLDTPAS-NXEZZACHSA-N 252.314 0.602 10 10 CCCE N[C@H]1C[C@H](CCNC(=O)c2cccc(O)c2O)C1 2050369198 LJVISRFHQYWJPZ-KYZUINATSA-N 250.298 0.955 10 10 CCCE COc1ccc(O)c([C@H](C)N[C@@H](CO)[C@@H](C)O)c1 2053800659 QTOVWLJEFFYLNE-SBMIAAHKSA-N 255.314 0.793 10 10 CCCE COc1cccc(CN2C[C@H](OC)[C@H](N)C2)c1O 2058774246 CQZAERXILGGGLI-PWSUYJOCSA-N 252.314 0.559 10 10 CCCE O=C1NC[C@@H](CNC(=O)[C@@H]2CNc3ccccc3N2)O1 2186495122 BXLHNIPUQXOLEF-KCJUWKMLSA-N 276.296 0.117 10 10 CCCE C[C@H](O)[C@H]1C[C@H]1NCc1cc2c(cc1O)OCO2 2061890196 AEFOUIFBBCUKLR-FXBDTBDDSA-N 251.282 0.980 10 10 CCCE COCCOCCOCCNCc1ccc(O)cc1O 2187126003 LCDOWQSLSHWTQT-UHFFFAOYSA-N 285.340 0.867 10 10 CCCE N[C@H]1CCCN(C(=O)c2cc(O)c(O)c(O)c2)C1 2068624524 PZXJVFKLLPWUQC-QMMMGPOBSA-N 252.270 0.367 10 10 CCCE C[C@H](F)[C@@H](NC(=O)c1cc(O)nc(O)c1)C(=O)O 2069721713 MGDRBRKPBSIQGK-RNHFCUEFSA-N 258.205 0.034 10 10 CCCE Cc1cc(CO)ccc1N1CC[C@](C)(O)[C@@H](O)C1 2077297506 XYHBRYNLCYQVPU-KBPBESRZSA-N 251.326 0.809 10 10 CCCE Cc1ccc([C@H](C)NCCCNS(N)(=O)=O)c(O)c1 2101321705 KOJXQRPXXRPJCX-JTQLQIEISA-N 287.385 0.534 10 10 CCCE CN1CCCc2cc([C@@H](N)Cn3cnnn3)ccc21 2106827564 DXZBHRCHHSZVLR-LBPRGKRZSA-N 258.329 0.756 10 10 CCCE CCNC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)C1 2089595280 XFTGKCNBIRQMFP-VIFPVBQESA-N 265.313 0.564 10 10 CCCE CN1CCN(C)[C@H](C[C@H](NN)c2ccccc2O)C1 2090038725 ZQTALWTWSOSODZ-YPMHNXCESA-N 264.373 0.533 10 10 CCCE Cc1cc(CO)ccc1N1C[C@]2(CO)C[C@@]2(CO)C1 2090117075 TYKMOPJPXSAUDZ-GJZGRUSLSA-N 263.337 0.668 10 10 CCCE CN(Cc1ccccc1O)S(=O)(=O)[C@H](CO)C1CC1 2110746126 KAUBTUFTNMEERX-CYBMUJFWSA-N 285.365 0.925 10 10 CCCE CN(C)c1ccc([C@@H](O)[C@@H](N)c2cnn(C)n2)cc1 2092001772 GZDAHFXIDUGFDJ-QWHCGFSZSA-N 261.329 0.615 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@@H](O)C3(CC3)C2)cc1 2093336403 QYNVHOFGRNQOLX-GFCCVEGCSA-N 282.365 0.555 10 10 CCCE CN(C(=O)c1cc(O)nc(O)c1)[C@H]1CCC[C@H](N)C1 2099838999 LRVNERKZNHPPAX-UWVGGRQHSA-N 265.313 0.835 10 10 CCCE CN(C)c1ccc([C@@H](N)[C@](C)(O)CS(C)(=O)=O)cc1 2114020382 JXFMQLVQFPHRJJ-CHWSQXEVSA-N 286.397 0.548 10 10 CCCE Nc1ccc(CC(=O)N2C[C@@H](F)[C@H](C(=O)O)C2)cc1 2120617149 PGCSRTYJVLSFHZ-GHMZBOCLSA-N 266.272 0.692 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CC[C@H]2COC[C@@H](C1)N2 2204527623 SFADMSFKDISWPT-WDEREUQCSA-N 278.308 0.301 10 10 CCCE COC1(C(N)=O)CN(c2ccc([C@H](C)N)c(C)c2)C1 2269660847 MSEVNSVNQATUJY-JTQLQIEISA-N 263.341 0.705 10 10 CCCE COc1ccc(N2C[C@H]3OC(=O)N(C)[C@@H]3C2)c(CO)c1 2236002099 LKMMSABYWIJMKT-CHWSQXEVSA-N 278.308 0.827 10 10 CCCE CCN1CCc2cc(N3C[C@H](O)[C@@H](CO)C3)ccc21 2226654312 HDAKIQRABBPXNW-DOMZBBRYSA-N 262.353 0.858 10 10 CCCE NCc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]2C[C@H]3[C@@H](O)[C@@H]2O)cc1 2237069096 RAKFABHZSDCWBN-ZTYXSZCMSA-N 274.364 0.569 10 10 CCCE N[C@]1(C(=O)NCc2ccccc2O)C[C@@H]2OCCC[C@@H]21 2288400452 KBKRZXLFBBFWEQ-CORIIIEPSA-N 276.336 0.905 10 10 CCCE C[C@@H](O)[C@@H]1C[C@H]1NC(=O)COc1ccc(N)cc1 2310398049 SPFZEVROOUNAQR-JFUSQASVSA-N 250.298 0.533 10 10 CCCE [N-]=[N+]=N[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2C(N)=O)CC1 2312966141 DOJVJISOBZTNOS-DJLDLDEBSA-N 251.290 0.799 10 10 CCCE CNC(=O)CS(=O)(=O)CCCc1ccc(N)cc1 306071783 CMXUIQBLKINWSP-UHFFFAOYSA-N 270.354 0.362 10 10 CCCE NC[C@H]1[C@@H]2C[C@@H]2CN1c1cc2c(cc1N)OCC(=O)N2 2357558449 HYTKXLYUAQHHQU-RWYTXXIDSA-N 274.324 0.383 10 10 CCCE C[C@H](NCCS(N)(=O)=O)c1cc(O)ccc1O 36745289 NTJZOWAJHZICSG-ZETCQYMHSA-N 260.315 0.037 10 10 CCCE C[C@@H](N)CCC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 70317291 HMOCXMYKEPTSHL-SCZZXKLOSA-N 296.323 0.337 10 10 CCCE O=C(c1cccc(O)c1O)N1CCN2CCOC[C@H]2C1 369123649 AGDAUUHQUXKJHI-SNVBAGLBSA-N 278.308 0.254 10 10 CCCE COc1cc(N)c(N2C[C@@H](O)C[C@@H]2CN(C)C)cc1OC 213775171 SYLMAZSOEPDTCX-MNOVXSKESA-N 295.383 0.787 10 10 CCCE CN1CCN(C)[C@@H](CNC(=O)COc2ccc(N)cc2)C1 225310687 LKRUBEPJZTXPMI-ZDUSSCGKSA-N 292.383 0.010 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CCC[C@H]1CO 220665108 ORCPAYJHBWYSMD-QMMMGPOBSA-N 253.254 0.400 10 10 CCCE CS(=O)(=O)NCCCNCc1ccc(O)c(O)c1 220724860 OKHHCSUWGBQKLS-UHFFFAOYSA-N 274.342 0.127 10 10 CCCE CN(CCCC(=O)O)C(=O)c1cc(O)c(O)c(O)c1 2132349165 ZQWBQSQZPGYCLM-UHFFFAOYSA-N 269.253 0.740 10 10 CCCE CC(=O)C(=O)COC(=O)[C@@H]1COc2ccc(O)cc2O1 829408341 ANDUXJMWMFDSAR-LBPRGKRZSA-N 280.232 0.233 10 10 CCCE N[C@H]1CC12CC(NC(=O)c1cc(O)c(O)c(O)c1)C2 2132413868 QSSIRVDERBGRPM-JRIBOLAGSA-N 264.281 0.413 10 10 CCCE O=C(N[C@@H]1COC2CC1C2)c1cc(O)c(O)c(O)c1 2132400257 LPEMDIOWNWKNGG-KPIFQKDSSA-N 265.265 0.711 10 10 CCCE CN1[C@H]2CC[C@@H]1CN(c1ccc3c(c1)NC(=O)[C@@H]3O)C2 723905391 JFYZBHXVAHNLIX-UHIISALHSA-N 273.336 0.955 10 10 CCCE CCNC(=O)C1CN(Cc2cc(OC)ccc2O)C1 839138930 QWBWYGTVIFYMOZ-UHFFFAOYSA-N 264.325 0.969 10 10 CCCE CN1C[C@@H](O)C[C@@]1(C)C(=O)NCCc1ccc(O)c(O)c1 901123948 UDPTXGQOTJIBPN-NHYWBVRUSA-N 294.351 0.212 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@@H]3CNC[C@@H]3C2)cc1 1876137618 UREGSMFMMQUEDO-TXEJJXNPSA-N 281.381 0.250 10 10 CCCE OCc1nnn2c1CN(Cc1ccc(F)c(F)c1O)CC2 894807992 DUAXDEQBJNLFSZ-UHFFFAOYSA-N 296.277 0.770 10 10 CCCE COC(=O)[C@](C)(CO)NCc1ccc(F)c(F)c1O 894971842 IVMPHGOBCBTSGI-LBPRGKRZSA-N 275.251 0.684 10 10 CCCE CSc1ncc(CNC(=O)[C@@H]2CCNO2)s1 2243772411 AQAQASIKCHIFMD-ZETCQYMHSA-N 259.356 0.775 10 10 CCCE C[C@]1(NCc2cccc(O)c2O)CCS(=O)(=O)C1 44376380 UHAKEKNVXKUYEN-LBPRGKRZSA-N 271.338 0.765 10 10 CCCE O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H]1CNC(=O)C1 1179689340 LONAIMBSIFZZOV-YWNRKNDBSA-N 276.292 0.363 10 10 CCCE COCC[C@H](CO)NC(=O)Cc1ccc(O)c(O)c1 1568104848 PLDKTBTVXUTKKT-SNVBAGLBSA-N 269.297 0.154 10 10 CCCE Cc1cccc(O)c1CNC1CN(S(C)(=O)=O)C1 1963063642 BJGUWPUDVOVEER-UHFFFAOYSA-N 270.354 0.434 10 10 CCCE CN(C)c1ccc([C@H](N)[C@H](O)[C@H]2COCCO2)cc1 1889140874 JNAPBTHMXNCAFP-HZSPNIEDSA-N 266.341 0.529 10 10 CCCE O=C(Cc1c(O)ncnc1O)NCc1cc(O)ccc1O 1176755763 VOHMOAMRBJVGPO-UHFFFAOYSA-N 291.263 0.158 10 10 CCCE CN(C)C[C@@H](CO)NCc1ccc2c(c1)CCN2C 716739026 AFYIZEZCJOJKGO-AWEZNQCLSA-N 263.385 0.691 10 10 CCCE C[C@H](O)[C@@H](O)CNCc1c(O)cccc1Br 717354963 RQZABAQSEWCMPN-CPCISQLKSA-N 290.157 0.986 10 10 CCCE Nc1ccc(O)c(CNS(=O)(=O)C2CCC2)c1 717764292 MJXONAQXYPSGOA-UHFFFAOYSA-N 256.327 0.946 10 10 CCCE COC(=O)CCN(CC(N)=O)Cc1ccc(N)cc1 69318169 LWPJPKROMYWDSK-UHFFFAOYSA-N 265.313 0.119 10 10 CCCE C[C@H](O)c1ccc(N2C[C@@H](O)C[C@H]2CO)c(F)c1 698121951 FVNMLKFIILZKBM-LSJOCFKGSA-N 255.289 0.811 10 10 CCCE C[C@@H]1COC[C@H]1NC(=O)COc1ccc(N)cc1 699485479 OKGCLOSWMLSUTA-BXKDBHETSA-N 250.298 0.799 10 10 CCCE C[C@@H](N)c1ccc(N2CCO[C@H](CCO)C2)cc1O 2116237660 SSOHGXJMYLQQGH-ZYHUDNBSSA-N 266.341 1.000 10 10 CCCE C[C@H](NC(=O)c1cc(=O)n(C)cn1)c1ccccc1O 1454817689 KXHFJKPWBABDGP-VIFPVBQESA-N 273.292 0.977 10 10 CCCE N[C@H]1CCOCC[C@@H]1C(=O)NCc1ccccc1O 2120583981 LUOQKHYBJISNAW-RYUDHWBXSA-N 264.325 0.762 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCCN(CC(CO)(CO)CO)C1 2123208282 CZCPXRQBXYBDIC-LLVKDONJSA-N 272.349 0.362 10 10 CCCE C[C@@H](C(=O)NCc1ccc(O)cc1O)S(C)(=O)=O 1570462346 PSQHTVKLJTVFHX-ZETCQYMHSA-N 273.310 0.147 10 10 CCCE COC(=O)N(C)CCNC(=O)Cc1ccc(O)c(O)c1 1584707374 PGDNBVGGEILRGF-UHFFFAOYSA-N 282.296 0.455 10 10 CCCE O=C1Nc2cc(N3CCC=C[C@H]3CO)ccc2[C@H]1O 2125938213 YSUTZWQRPGZNBG-GXFFZTMASA-N 260.293 0.799 10 10 CCCE CN1NC(=O)[C@H](CC(=O)NC2CCCCCC2)C1=O 169995908 WPDPWWSROWVJIB-JTQLQIEISA-N 267.329 0.335 10 10 CCCE O=C1NCC2(CN(c3ccc4c(c3)CC[C@@H]4O)C2)N1 2128322692 QHWSOMUWFSNUEX-LBPRGKRZSA-N 259.309 0.538 10 10 CCCE O[C@@H]1CN(c2ccc3c(c2)CC[C@H]3O)[C@H]2COC[C@@H]12 2128315005 MYMDVSGYTAAKQM-LXTVHRRPSA-N 261.321 0.862 10 10 CCCE CN(C[C@H](O)CC(=O)O)c1ccc2c(c1)OCCO2 258779759 BIVNECPUJJRZRL-SNVBAGLBSA-N 267.281 0.730 10 10 CCCE Cc1ccc(N2NC(=O)[C@@H](CC(=O)O)C2=O)cc1C 106662937 XAQOZORYIAWZRT-SNVBAGLBSA-N 262.265 0.772 10 10 CCCE CCN(CC(=O)OC)C(=O)Cc1ccc(O)c(O)c1 1136604505 GYOJKHIZVPXABP-UHFFFAOYSA-N 267.281 0.662 10 10 CCCE Cc1cc(N2[C@H]3CC[C@H]2[C@H](O)[C@H](O)C3)ccc1CN 2133920847 TZDCBDXGRQXVAA-XQLPTFJDSA-N 262.353 0.917 10 10 CCCE [N-]=[N+]=NC[C@H]1CCN(C(=O)Cc2cc(O)nc(O)n2)C1 1912180746 FQTNZUMVAAGJOI-SSDOTTSWSA-N 278.272 0.589 10 10 CCCE CC(C)OCCCNC(=O)CN1CC(N=[N+]=[N-])C1 1912174540 ARJJVTZYOMGIQM-UHFFFAOYSA-N 255.322 0.912 10 10 CCCE CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@H](N=[N+]=[N-])C1 1912170576 YXAVJHPFOXQNQF-BDAKNGLRSA-N 268.321 0.995 10 10 CCCE CN1CCN(C(=O)c2cccc(O)c2O)C[C@H]1C(N)=S 1914924516 YPRHZYOKCJVGAG-VIFPVBQESA-N 295.364 0.140 10 10 CCCE COc1cc(N)ccc1N1C(=O)[C@H]2CC[C@@H](O2)C1=O 222849228 NMIPFCNEYWJASI-NXEZZACHSA-N 262.265 0.698 10 10 CCCE O=C(NC[C@@]12CC[C@H]1CNC2)c1ccc(O)c(O)c1 2136062266 ACLNWCCTMQPBJY-HZMBPMFUSA-N 262.309 0.827 10 10 CCCE CN[C@@H]1CN(C(=O)c2ccc(O)c(O)c2)CC12CC2 2140917603 KUSWYPDFKKTKNQ-GFCCVEGCSA-N 262.309 0.922 10 10 CCCE CC[C@H]1C(=O)NCCN1c1ccc(CO)c(OC)c1 2139704157 IDWGBZHGARCYPI-LBPRGKRZSA-N 264.325 0.902 10 10 CCCE CNC(=O)[C@H]1COCCN1c1ccc(CN)c(F)c1 130130102 GWAWIGYROJRSTO-GFCCVEGCSA-N 267.304 0.236 10 10 CCCE CN(C)c1ccc([C@H](O)C2(C(=O)O)CNC2)cc1F 1951482500 UBHCXEHCXOYILL-NSHDSACASA-N 268.288 0.599 10 10 CCCE C[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CCN1 1969423878 SYTSSULKCZEVSM-SECBINFHSA-N 250.298 0.461 10 10 CCCE C[C@H](NC(=O)c1cccc(O)c1O)[C@H](C)S(C)(=O)=O 1970408225 DWTKFLCOAJDCLL-YUMQZZPRSA-N 287.337 0.649 10 10 CCCE C[C@@H](NC(=O)Cc1ccc(N)cc1)[C@H]1COCCO1 1973940848 PKDCGGGPWDVHTL-ZWNOBZJWSA-N 264.325 0.731 10 10 CCCE COc1cc(N)c(N2C[C@@H](CO)C[C@@H]2CO)cc1OC 2146078893 QEGUDPQOPNHGPU-VHSXEESVSA-N 282.340 0.466 10 10 CCCE CN1C[C@H](O)[C@H](NCc2ccc3c(c2)CCCN3C)C1 2146512608 CYCBVMINTYMANL-ZBFHGGJFSA-N 275.396 0.834 10 10 CCCE CN(C)CCCNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 40458538 JCTODUHJBRKQPO-NSHDSACASA-N 281.356 0.036 10 10 CCCE COC[C@H](CC(=O)O)NC(=O)CCc1ccc(N)cc1 2149207181 HZTFDQJRAMDFNX-LBPRGKRZSA-N 280.324 0.807 10 10 CCCE CO[C@H]1CN(C)C[C@H]1NC(=O)COc1ccc(N)cc1 2151787430 ACFBHIMJWKWQJP-OLZOCXBDSA-N 279.340 0.093 10 10 CCCE CS(=O)(=O)[C@H]1CNC[C@H]1Nc1ccccc1N 2017559535 ZGYXKUHTLLXJPS-MNOVXSKESA-N 255.343 0.066 10 10 CCCE CCC[C@H](N)CNC(=O)Cc1ccc(O)c(O)c1 2027485395 XRFMKQWHMBELQK-JTQLQIEISA-N 252.314 0.884 10 10 CCCE C[C@H]1C[C@H](CO)CN1CC(=O)N(C)c1ccc(N)cc1 2156550650 JITSHLGLSWHWHW-RYUDHWBXSA-N 277.368 0.934 10 10 CCCE O=C(O)[C@@H]1CCN(C(=O)c2cccc(O)c2O)O1 2035831073 JYCXTKCIOFWTPW-QMMMGPOBSA-N 253.210 0.329 10 10 CCCE CO[C@@H]1COC[C@@H]1CNCc1cccc(O)c1O 2036606202 ALICEENWFZUPFZ-CMPLNLGQSA-N 253.298 0.849 10 10 CCCE O=S(=O)(Nc1ccc(O)cc1)c1n[nH]cc1CO 2040049781 YKJBSGMYDFHPEN-UHFFFAOYSA-N 269.282 0.408 10 10 CCCE COc1ccc(N2CC[C@](CO)(OC)C2)c(N)c1 402899873 FDKZKYFBKKQMPJ-ZDUSSCGKSA-N 252.314 0.865 10 10 CCCE O=C(N[C@@H]1CC[C@H]2CNC[C@H]21)c1cccc(O)c1O 311975427 PSTUCTYPPIKKKS-JMJZKYOTSA-N 262.309 0.826 10 10 CCCE CCCN(c1ccc(CO)cc1F)[C@@H]1CC(=O)NC1=O 2171201508 HKLIWAHFFGDGFL-GFCCVEGCSA-N 280.299 0.950 10 10 CCCE Nc1ccc(N2C(=O)N[C@H](Cc3ncns3)C2=O)cc1 2172339700 ZFRKAAOBNDGIDT-SECBINFHSA-N 289.320 0.788 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1C[C@H]2C[C@H]2C1 379554886 FNTWRSGKBCWHPK-AXFHLTTASA-N 262.309 0.446 10 10 CCCE C[C@H](CN)S(=O)(=O)Nc1ccc(O)cc1[N+](=O)[O-] 722225056 UWGRBFOICPOKSF-ZCFIWIBFSA-N 275.286 0.389 10 10 CCCE Cc1cc(NS(=O)(=O)CCCON)ccc1O 722232191 HDPIYOAUFOEUBA-UHFFFAOYSA-N 260.315 0.723 10 10 CCCE Oc1cccc(CNC[C@@H]2CN3CCCN2CC3)c1O 394796159 KUNNBVBKTFBSES-CYBMUJFWSA-N 277.368 0.577 10 10 CCCE CON(C)C(=O)CN[C@H]1CCc2cccc(O)c21 397547456 VBWIIPZJGWZMDU-JTQLQIEISA-N 250.298 0.989 10 10 CCCE O=C(N[C@@H]1CCN(C2COC2)C1)c1cccc(O)c1O 2169582091 BVOZVQQYQIOGEK-SECBINFHSA-N 278.308 0.301 10 10 CCCE Nc1ccc(CC(=O)N[C@H]2CCOC[C@@H]2C(=O)O)cc1 2176109037 WZAIKIIFMZTLLJ-RYUDHWBXSA-N 278.308 0.417 10 10 CCCE O=C(NC[C@]1(CO)CCCO1)c1cc(O)c(O)c(O)c1 2194007594 CHTQGQIIUKOMKL-ZDUSSCGKSA-N 283.280 0.075 10 10 CCCE COCCNC(=O)CN(C)c1ccc2c(c1)CC[C@H]2N 2184728373 XBYCVNOGWFIWTR-CQSZACIVSA-N 277.368 0.831 10 10 CCCE OCc1ccc(N2C[C@H]3C[C@H]2[C@@H](O)[C@@H]3O)cc1Cl 2042551546 MOPHFSRXCVHZBZ-GHORINQJSA-N 269.728 0.763 10 10 CCCE CN(CC(CO)CO)c1ccc2c(c1)CC[C@@H]2N 2065083156 LPWUGCHMLLSKDC-AWEZNQCLSA-N 250.342 0.670 10 10 CCCE CN(C[C@@]1(O)CCOC1)c1ccc(CN)c(F)c1 2066015768 CJIZROUOPCRCMX-ZDUSSCGKSA-N 254.305 0.872 10 10 CCCE C[C@H](c1cc(O)ccc1O)N1C[C@@H](O)C[C@@H]1CN 2067387653 ALFNDWDGTDNWHH-KKZNHRDASA-N 252.314 0.553 10 10 CCCE Cn1[nH]c([N+](=O)[O-])nc1=NCCc1ccc(N)cc1 2102932862 QDUXNDWDFMEJNS-UHFFFAOYSA-N 262.273 0.382 10 10 CCCE CN=c1nc[nH]c(=NCc2ccc(N(C)C)cc2)[nH]1 2104187071 QQIVZBSHSTXPEV-UHFFFAOYSA-N 258.329 0.435 10 10 CCCE Cc1ccc(CNCC2(S(N)(=O)=O)CC2)c(O)c1 2084066668 SSWXVPHBWFNVOZ-UHFFFAOYSA-N 270.354 0.611 10 10 CCCE Nc1ccc(CS(=O)(=O)NCC23CC(CO2)C3)cc1 2089143811 WPUBMTVYAUYBGQ-UHFFFAOYSA-N 282.365 0.867 10 10 CCCE O=C(N[C@@H]1C[C@H](CO)[C@@H]2C[C@@H]12)c1cc(O)nc(O)c1 2110610963 DZSPGCYBKMMRGP-UTINFBMNSA-N 264.281 0.240 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)COCC2CCNCC2)C1 2112574908 YSBBITXVYYISMX-HAQNSBGRSA-N 268.357 0.268 10 10 CCCE C[C@@H](N)c1ccc(N(C)[C@H]2CC(=O)NC2=O)c(F)c1 2114738455 VYQIARSQXMTEOB-HQJQHLMTSA-N 265.288 0.697 10 10 CCCE COc1cc(N2C[C@@H]3C[C@H]2CN3C(C)=O)ccc1CN 2204553108 HZTNKOQQTJOFEO-KBPBESRZSA-N 275.352 0.963 10 10 CCCE COc1cc(N2C[C@H](CO)[C@@H](CCO)C2)ccc1CO 2204555404 SSPSEMATJNTVJQ-WCQYABFASA-N 281.352 0.615 10 10 CCCE COc1cc(N2CC[C@@H]3CS(=O)(=O)C[C@@H]32)ccc1CN 2204541081 HJDXKOPULRAGLJ-YPMHNXCESA-N 296.392 0.777 10 10 CCCE COC[C@@H]1[C@H](O)[C@H](O)CN1c1ccc([C@@H](C)O)c(O)c1 2233878105 CYNPAFWIQLFAHP-GFCLTOETSA-N 283.324 0.002 10 10 CCCE OC1CN([C@@H]2CCN(c3ccc4c(c3)OCCO4)C2)C1 2235099280 PECODNJUNQIMHH-GFCCVEGCSA-N 276.336 0.713 10 10 CCCE O=C1CC(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)C1 2227903079 GZVZLSOSFPZQBX-UHFFFAOYSA-N 286.265 0.774 10 10 CCCE Nc1ccc(NS(=O)(=O)CC2(C(=O)O)CC2)cc1 2261274138 XWJFHGDOIYAYCU-UHFFFAOYSA-N 270.310 0.875 10 10 CCCE COc1cc(OC)c(N(CCN)CCO)c(OC)c1 2271546896 MXLHPPUHWWZLBR-UHFFFAOYSA-N 270.329 0.470 10 10 CCCE CN(C)CCN(CCN)Cc1cc(F)cc(F)c1O 2265844318 YCKCPGLEBKKDFG-UHFFFAOYSA-N 273.327 0.993 10 10 CCCE COc1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)c(C)c1C 2269110675 PNSCLDFOUSLCLT-OBJOEFQTSA-N 267.325 0.215 10 10 CCCE COc1ccc(N2CCNC[C@@H]2C(N)=O)c(OC)c1C 2295432554 JCNIKTRVRSUDSS-LLVKDONJSA-N 279.340 0.276 10 10 CCCE CC[C@H]1[C@@H](O)CCN1c1cc2c(cc1N)OCC(=O)N2 2288844456 LLGFMEAUBLCSEW-JQWIXIFHSA-N 277.324 0.949 10 10 CCCE Cn1ncc2c1CN(C(=O)c1cc(O)c(O)c(O)c1)C2 1148583995 KALZGXYOUWLOSL-UHFFFAOYSA-N 275.264 0.693 10 10 CCCE N[C@H]1CCc2cc(N3C[C@@H]4C[C@H]3[C@H](O)[C@@H]4O)ccc21 2331551804 QCLPIYXDUHSAHT-MKJLKUPLSA-N 260.337 0.563 10 10 CCCE O=C1Nc2cc(N3C[C@H]4C[C@@H](CO)[C@H]4C3)ccc2[C@H]1O 2355423866 DWNCOMBZUIAYCY-VILIVFPASA-N 274.320 0.737 10 10 CCCE CN1CCCN(C(=O)[C@@H](N)Cc2ccc(O)c(O)c2)CC1 40458966 YAQFECZAUVQIGZ-LBPRGKRZSA-N 293.367 0.132 10 10 CCCE CN[C@H](C)c1ccc2c(c1)CCN2C[C@H](O)CO 162145043 OCPCGRCWPMURHC-MFKMUULPSA-N 250.342 0.683 10 10 CCCE CC(=O)N1CCN(C(=O)c2cccc(O)c2O)[C@H](C)C1 279310026 OFWLDVIKKNINAS-SECBINFHSA-N 278.308 0.791 10 10 CCCE Nc1ccc(CC(=O)N2CCNC[C@H]2C(F)F)cc1 377552642 DDOJGWAALDABSW-NSHDSACASA-N 269.295 0.877 10 10 CCCE C[S@@](=O)CC1CN(C[C@@H](O)COc2ccc(N)cc2)C1 2166658685 ZNSIUVUMHRREGR-ZUOKHONESA-N 298.408 0.319 10 10 CCCE CN(c1ccc2c(c1)NC(=O)[C@H]2O)[C@H]1C[C@@H](C(N)=O)C1 703495917 KEBXMJSKYKHTKT-VMAXQDLPSA-N 275.308 0.372 10 10 CCCE O=C(CN1CC[C@H](OCCO)C1)c1ccc(O)c(O)c1 2165420212 JLIGMUOLKVNTOF-NSHDSACASA-N 281.308 0.364 10 10 CCCE CNC(=O)[C@H](C)CN(C)c1ccc2c(c1)NC(=O)[C@@H]2N 723204411 WZWBMCUSBYNGKT-PRHODGIISA-N 276.340 0.457 10 10 CCCE CO[C@@H](C)[C@@H](CC(=O)O)NC(=O)c1ccc(O)c(O)c1 2165787717 UORRAEBWNQISPG-IONNQARKSA-N 283.280 0.706 10 10 CCCE CN(Cc1ccc(O)cc1O)[C@]1(C(=O)O)CCOC1 388955617 ZWSSITGVSHSYPN-CYBMUJFWSA-N 267.281 0.773 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@]23CC[C@H]2CNC3)cc1 1876458436 CRZUADCTPFEFDB-AAEUAGOBSA-N 281.381 0.440 10 10 CCCE C[C@H]1NCCC[C@@H]1NS(=O)(=O)Cc1ccc(N)cc1 1876416780 BEZVQGAPKHODEG-MFKMUULPSA-N 283.397 0.829 10 10 CCCE CCc1cc([C@H](NCCCN=[N+]=[N-])C(N)=O)n(C)n1 1877145961 IOKDVWADUPALIF-JTQLQIEISA-N 265.321 0.799 10 10 CCCE O=C(NCCc1cnc[nH]1)c1cc(O)c(O)c(O)c1 170190531 PBYXPLWLGOUQND-UHFFFAOYSA-N 263.253 0.499 10 10 CCCE CNC(=O)CN(C)c1ccc(OCCN(C)C)cc1 1884045931 OGWJNIQNJJJDIL-UHFFFAOYSA-N 265.357 0.809 10 10 CCCE N[C@H](c1nnc(-c2c[nH]cn2)o1)c1ccc(O)cc1O 83536915 ZPZCKKIVQUYJLT-JTQLQIEISA-N 273.252 0.919 10 10 CCCE N[C@H](c1nnc(-c2ncc[nH]2)o1)c1cc(O)ccc1O 83536899 MSRNEGKOXFUOOR-VIFPVBQESA-N 273.252 0.919 10 10 CCCE c1cc(N2CCCNCC2)ccc1CN1CCNCC1 84857359 CWDCDYWMPZOGGM-UHFFFAOYSA-N 274.412 0.892 10 10 CCCE C[C@@H]1CC(=O)NCCN1c1ccc2c(c1)NC(=O)[C@@H]2N 708263677 MFINNCMGAQUDQN-AMIZOPFISA-N 274.324 0.353 10 10 CCCE Nc1ccc(O)c(CNS(=O)(=O)C[C@@H]2CCCO2)c1 63155150 OTSOBLTXFJWWCD-NSHDSACASA-N 286.353 0.573 10 10 CCCE Nc1ccc(OCCNC(=O)[C@@H]2CCC(=O)N2)cc1 63130440 KNYOYHQVCOBUHS-NSHDSACASA-N 263.297 0.042 10 10 CCCE C[C@@H](NCC1(CO)COC1)c1c(O)cccc1O 717574056 JJBWLOGKQMRBPG-SECBINFHSA-N 253.298 0.757 10 10 CCCE CN[C@@H](C)c1ccc(N2CCS(=O)(=O)CC2)cc1O 93670515 JPRDZXMNEPNZQF-JTQLQIEISA-N 284.381 0.907 10 10 CCCE CN(C(=O)CN1CCO[C@H]2C[C@@H]21)c1ccc(N)cc1 2115221570 CYWMLSCKGNMUDZ-STQMWFEESA-N 261.325 0.705 10 10 CCCE O=CN1CCCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1291895962 FUSLXOLVUROUIT-UHFFFAOYSA-N 278.308 0.331 10 10 CCCE O=C(NC1(c2nn[nH]n2)CCC1)c1cccc(O)c1O 1455345639 AJEUYVZGQKDCCO-UHFFFAOYSA-N 275.268 0.420 10 10 CCCE CN1CCCc2cc([C@@H](O)[C@](C)(N)C(=O)O)ccc21 2121911680 SLFPGTPHBUMQHN-OCCSQVGLSA-N 264.325 0.904 10 10 CCCE O=C(NCc1cc(O)ccc1O)c1cnsn1 1558175012 XPBJVTMVOHBEED-UHFFFAOYSA-N 251.267 0.879 10 10 CCCE C[C@H](C[S@](C)=O)NC(=O)Cc1ccc(O)c(O)c1 1567516978 KUPWUCOYVKCWLU-CVJBHZAOSA-N 271.338 0.524 10 10 CCCE CN(Cc1ccccc1O)Cc1nnc2c(=O)[nH]ccn12 1642071590 BAGPBMGTHBVUNV-UHFFFAOYSA-N 285.307 0.755 10 10 CCCE O=C(CSc1n[nH]c(O)n1)NCc1cc(O)ccc1O 1651225641 RMKNFOWMTUILOO-UHFFFAOYSA-N 296.308 0.330 10 10 CCCE CC1(C)OC[C@H](NC(=O)c2cccc(O)c2O)[C@H]1O 1910827890 BWVPTUWGBQPUBO-GZMMTYOYSA-N 267.281 0.366 10 10 CCCE COc1ccc(N2C[C@@H]3C[C@H](C2)[C@@H](O)[C@H]3O)c(N)c1 2126129823 VKIBQIITLGKGJC-OGXIQJDLSA-N 264.325 0.455 10 10 CCCE C[C@@H](Oc1ccc(N)cc1)C(=O)NC(C)(C)CO 1860082834 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Nc1ccc(CC(=O)N2CCC[C@H]3C(=O)NC[C@@H]32)cc1 232276265 IPAZSWNZDRUILV-OLZOCXBDSA-N 273.336 0.548 10 10 CCCE Nc1ccc(CCCN2CCOC[C@@H]2[C@@H](O)CO)cc1 2146761719 MRBGJCLEYPXJLO-CABCVRRESA-N 280.368 0.255 10 10 CCCE CCOc1cccc([C@H]2CNCC(=O)N2C)c1O 1952151306 FZASPHCNQCIOCN-SNVBAGLBSA-N 250.298 0.894 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1C[C@@H]2CCC[C@H](O)[C@H]2C1 2150976397 KDWVPNVVHHXGQA-LSJOCFKGSA-N 278.308 0.726 10 10 CCCE CN(C)C(=O)CN(C)C(=O)COc1ccc(N)cc1 40303193 ZDAMAUCSLAQAHR-UHFFFAOYSA-N 265.313 0.194 10 10 CCCE Nc1ccc(OCCC(=O)NC[C@H]2COC[C@H]2O)cc1 2154114653 DUQYJGVQAOAEHR-GXFFZTMASA-N 280.324 0.161 10 10 CCCE CNC(=O)[C@@H]1CCCN1CC(=O)c1ccc(O)c(O)c1 50154407 KETCCKPTPIGXPT-JTQLQIEISA-N 278.308 0.491 10 10 CCCE N[C@@H]1CCCN(C(=O)c2cc(O)nc(O)c2)CC1 2027961673 KDPOCYMOXGVKFC-SECBINFHSA-N 251.286 0.446 10 10 CCCE C[C@H](C(=O)NCCOc1ccc(N)cc1)N(C)C 2034000748 DIMOWARTVZIHQP-SNVBAGLBSA-N 251.330 0.714 10 10 CCCE CN(CCCc1ccc(N)cc1)C1CS(=O)(=O)C1 2034767811 DZDIADXOVLTBGN-UHFFFAOYSA-N 268.382 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Nc1ccc(O)c(CN2CC[C@@H]3OCCO[C@H]3C2)c1 2095387261 AOIUFDSHWAWNFV-KBPBESRZSA-N 264.325 0.964 10 10 CCCE CCN(c1ccc(CN)cc1)[C@H]1CC(=O)N(C)C1=O 2096079633 CTOCITPRYOTJAU-LBPRGKRZSA-N 261.325 0.729 10 10 CCCE CCOc1cccc(CNC[C@H]2COC[C@@H]2O)c1O 2097833755 FYPJKPLQBMUYCH-RYUDHWBXSA-N 267.325 0.888 10 10 CCCE CN(C[C@H](O)COc1ccc(N)cc1)[C@H]1C[C@H](O)C1 2122884399 RFAZRQJUJWWCNL-AVGNSLFASA-N 266.341 0.464 10 10 CCCE Cc1cc(N2CCOC[C@H]2C(N)=O)ccc1[C@@H](C)O 2269682461 YHCGWAKZPNBRSW-MFKMUULPSA-N 264.325 0.739 10 10 CCCE COc1ccc(N(C)[C@H]2COC[C@@H]2O)c(CO)c1 2220425581 AMUUNFCUTDIEAJ-STQMWFEESA-N 253.298 0.383 10 10 CCCE CN[C@@H](C)c1ccc(N2CC(O)(C(N)=O)C2)c(C)c1 2232091311 FJOOYHUYEQUEIY-JTQLQIEISA-N 263.341 0.312 10 10 CCCE CON(C)CCCNC(=O)COc1ccc(N)cc1 2225746081 YKHBNQHQYVKCAX-UHFFFAOYSA-N 267.329 0.647 10 10 CCCE COC[C@@H]1[C@@H](O)[C@@H](O)CN1c1ccc([C@@H](C)N)cc1 2225702413 PYWOGWDNYGMTPF-WBMYTEFPSA-N 266.341 0.263 10 10 CCCE [N-]=[N+]=NCCCNC(=O)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)O 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CC(C)(C)OC(=O)NCC1(O)CN(CCN=[N+]=[N-])C1 1953751692 NKWFVTKWPJCJHN-UHFFFAOYSA-N 271.321 0.868 10 10 CCCE CC(=O)N1CC(=O)N/C(=C\c2ccc(N(C)C)cc2)C1=O 38195973 SYFVNJGPALDWRA-JYRVWZFOSA-N 287.319 0.598 10 10 CCCE C[C@@H]1CN(C(=O)c2cccc(O)c2O)C[C@@H]1C(=O)O 126028514 SUQSCHCMWYIWBT-APPZFPTMSA-N 265.265 0.891 10 10 CCCE C[C@H](c1ccccc1O)N(C)C(=O)CS(C)(=O)=O 70130185 WMNOMWYEPNLZBA-SECBINFHSA-N 271.338 0.956 10 10 CCCE CN(C[C@H]1CCCO1)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 48950078 HTBFLOLWFJPFHI-NEPJUHHUSA-N 294.351 0.605 10 10 CCCE CC(=O)C(=O)COC(=O)C[C@H](C)NC(=O)OC(C)(C)C 808521883 IACITCUVRLBTJJ-QMMMGPOBSA-N 287.312 0.991 10 10 CCCE COc1ccc(N2CCNCCNC(=O)CC2)c(F)c1 2162666244 JISQSFFFUKBZES-UHFFFAOYSA-N 281.331 0.750 10 10 CCCE Nc1ccc(N2CCN(CC3CS(=O)(=O)C3)CC2)cc1 722792569 TYUXGXIGNRNACM-UHFFFAOYSA-N 295.408 0.435 10 10 CCCE C[C@H]1CN(C(=O)Cc2ccc(N)cc2)[C@H](C(=O)O)CO1 2165817268 CWLCBJONANLEDF-CABZTGNLSA-N 278.308 0.512 10 10 CCCE CO[C@H]1CC[C@H]1CNC(=O)c1cc(O)c(O)c(O)c1 2132413063 JRNAIYUXJJYESD-CPCISQLKSA-N 267.281 0.958 10 10 CCCE N[C@H]1CCC[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)C1 2132411659 XDGIAMOOVWHKFA-DTWKUNHWSA-N 266.297 0.803 10 10 CCCE COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CN(C)C(=O)N2)c1 830541445 YBGDEHAOJUMZAZ-KWQFWETISA-N 293.323 0.602 10 10 CCCE CC(=O)C(=O)COC(=O)c1cc(C(F)F)n(C)n1 910010360 VNJATEGPOLVAPB-UHFFFAOYSA-N 260.196 0.673 10 10 CCCE O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H]1CCC(=O)N1 855932854 RPQLNIFCSRANAA-ODTOEKCJSA-N 276.292 0.506 10 10 CCCE Nc1ccc(CS(=O)(=O)NC[C@H]2CC[C@@H](N)C2)cc1 1876400605 AZEURBRWSUNJGL-WCQYABFASA-N 283.397 0.816 10 10 CCCE Cn1ncnc1C1(O)CN(Cc2ccc(F)c(F)c2O)C1 895616343 INUVWUAIKCAVDQ-UHFFFAOYSA-N 296.277 0.502 10 10 CCCE CN(c1ccc(CN)cc1F)[C@H]1CCS(=O)(=O)C1 36870418 AURVFWFTDFFLHH-JTQLQIEISA-N 272.345 0.908 10 10 CCCE CC(C)(O)c1nnc([C@H](N)c2ccc(O)cc2O)o1 83480921 DHNTYIGERSZNIO-SECBINFHSA-N 265.269 0.756 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC[C@@H]1CC1(F)F 717319657 WFYZDBPFDVPDPM-IUCAKERBSA-N 286.278 0.739 10 10 CCCE O=S1(=O)C[C@H]2C(CNCc3cccc(F)c3O)[C@@H]2C1 2117990184 OPYPAQQGHLXAIZ-QWRGUYRKSA-N 285.340 0.912 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1C[C@H](CCO)C1 1906433015 BJSCTJAVIMCLGC-XYPYZODXSA-N 265.309 0.918 10 10 CCCE COc1ccc(CNC[C@H](C)N(C)C(=O)C(N)=O)cc1C 1482326707 MYQRTATYYFWQSL-NSHDSACASA-N 293.367 0.425 10 10 CCCE CN1CC[C@H](N(C)C(=O)c2c(F)ccc(O)c2O)C1=O 1558980692 UWYHRJTYPXMPGF-QMMMGPOBSA-N 282.271 0.540 10 10 CCCE O=C(NCC[C@@H]1COCCO1)c1cccc(O)c1O 1965031039 YIYYYNYIWHVQJT-SECBINFHSA-N 267.281 0.633 10 10 CCCE CN(C[C@@H](O)COc1ccc(N)cc1)[C@H]1CCOC1 250497197 ZOEHYSHAOAZPAD-QWHCGFSZSA-N 266.341 0.729 10 10 CCCE C[C@H](C(=O)NCc1ccccc1O)N1CCOCC1 169819797 DWNFPZOHTDGWMS-LLVKDONJSA-N 264.325 0.729 10 10 CCCE [N-]=[N+]=NCCN[C@]1(C(=O)O)CCN2CCC[C@@H]2C1 156573762 JBSXIMSWUWESRB-MWLCHTKSSA-N 253.306 0.968 10 10 CCCE Nc1ccc(O)c(CN2CCOC[C@H]2C(=O)NC2CC2)c1 159409399 OAGQOZKHBUSCKT-ZDUSSCGKSA-N 291.351 0.454 10 10 CCCE CN1CCN(c2ccc3c(c2)OCO3)C[C@H]1C(=O)O 250381813 MGQFKCWUGKWXGH-JTQLQIEISA-N 264.281 0.620 10 10 CCCE O=C1NC[C@H](CNCc2cc3c(cc2O)OCO3)O1 2129934360 QQVJKBDGTRRCJK-QMMMGPOBSA-N 266.253 0.319 10 10 CCCE COc1cc(N2C3COCC2COC3)ccc1CN 2139703930 FKXCKZYOBFUMOL-UHFFFAOYSA-N 264.325 0.758 10 10 CCCE CO[C@@H]1CN[C@@H](C(=O)NCc2cccc(C)c2O)C1 2139743282 IVDBUSYBZIRYFF-NWDGAFQWSA-N 264.325 0.694 10 10 CCCE CC[C@H](C)[C@@H](NC(N)=O)C(=O)N1CC[C@@H](N=[N+]=[N-])C1 1912158342 WVEAEHQRGIWCFJ-DJLDLDEBSA-N 268.321 0.981 10 10 CCCE CN(CCN=[N+]=[N-])CC(=O)NC(=O)NC(C)(C)C 1912168094 RRHYNULTSOYYHF-UHFFFAOYSA-N 256.310 0.853 10 10 CCCE C[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1C(=O)O 226872416 GNYRUXLYZFYKNS-LHLIQPBNSA-N 266.253 0.428 10 10 CCCE CNC(=O)[C@@H]1CCCCN1C(=O)c1ccc(O)c(O)c1 226999567 NYRHGGGBRIFBMD-JTQLQIEISA-N 278.308 0.839 10 10 CCCE COCc1noc(CNC(=O)Cc2ccc(N)cc2)n1 1926282655 MNLLGTAICMFZLR-UHFFFAOYSA-N 276.296 0.657 10 10 CCCE CN1C(=O)CC[C@H](NCc2ccc(O)c(O)c2O)C1=O 234345479 MEGNHBNATKOCND-QMMMGPOBSA-N 280.280 0.040 10 10 CCCE COCCNC(=O)[C@@H](C)N[C@@H](C)c1c(O)cccc1O 234643209 IBSMRDVGRDVKIO-VHSXEESVSA-N 282.340 0.900 10 10 CCCE COC(=O)[C@@H]1CN(C(=O)c2cccc(O)c2O)C[C@@H]1C 126488166 FNFBDNOFRUTUPC-WCBMZHEXSA-N 279.292 0.979 10 10 CCCE C[C@H](c1c(O)cccc1O)N1CC(N2CCNCC2)C1 235207419 KHQGLHSLKMHRHO-LLVKDONJSA-N 277.368 0.748 10 10 CCCE CN1C[C@@H](O)[C@H](NCc2ccc(Cl)cc2O)C1 1942691893 ZWVTVBSRBXZWBS-ZYHUDNBSSA-N 256.733 0.810 10 10 CCCE C[C@H](CN)N1CCN(C(=O)c2ccc(O)c(O)c2)CC1 235438823 OWJMVRSGXAPQLX-SNVBAGLBSA-N 279.340 0.203 10 10 CCCE C[C@@H](CN(C)C(=O)Cc1ccc(O)c(O)c1)C(=O)O 1970512343 LAXIYFYMMXGIQZ-QMMMGPOBSA-N 267.281 0.819 10 10 CCCE COC(=O)C[C@H](N)c1c(O)ccc2c1OCCO2 260526794 MUGLENTVCYGNRW-ZETCQYMHSA-N 253.254 0.726 10 10 CCCE CN(CC(=O)N(C)C)C[C@@H](O)COc1ccc(N)cc1 37269807 MQCVQMMKVDNMQB-GFCCVEGCSA-N 281.356 0.029 10 10 CCCE CO[C@@H]1CN(C)C[C@@H]1NS(=O)(=O)Cc1ccc(N)cc1 2151785979 QTPDEIDYIANSQJ-QWHCGFSZSA-N 299.396 0.017 10 10 CCCE COC[C@@]1(O)CCN(c2ccc3c(c2)NC(=O)[C@@H]3O)C1 2151755677 CNYKDDKXRLVLOR-TZMCWYRMSA-N 278.308 0.260 10 10 CCCE CN1CCO[C@H]2CN(CCOc3ccc(N)cc3)C[C@H]21 2153994567 DNDPDMUPGRCFON-CABCVRRESA-N 277.368 0.662 10 10 CCCE Nc1ccc(CNC2CC3(C2)CS(=O)(=O)C3)cc1 2034540179 PXYHYYVISUDELF-UHFFFAOYSA-N 266.366 0.936 10 10 CCCE Nc1ccc(OCCC(=O)N[C@H]2C[C@@H](O)C2)cc1 2040937370 DCEVKPUPKIMFAI-PHIMTYICSA-N 250.298 0.677 10 10 CCCE COC(=O)[C@@H](C)S(=O)(=O)N1CCC[C@@H](N=[N+]=[N-])C1 403651206 HTYGGQLSBDSDGD-HTQZYQBOSA-N 276.318 0.652 10 10 CCCE CN[C@@H](C)c1ccc(N(C)[C@H]2CC(=O)NC2=O)c(F)c1 2171207930 WFYVUZBYMFATTF-UFBFGSQYSA-N 279.315 0.957 10 10 CCCE CCN([C@@H]1CC(=O)NC1=O)[C@H](C)c1c(O)cccc1O 2171209445 YFVQKGDHYACEIS-RKDXNWHRSA-N 278.308 0.896 10 10 CCCE CN(CCCCO)CC(=O)Nc1ccc(N)cc1 385188168 YKWSEIUDQFYIBI-UHFFFAOYSA-N 251.330 0.912 10 10 CCCE CN1CCCc2cc([C@H](Cn3nccn3)NN)ccc21 2163097167 LQLGZQPNNVPQMX-ZDUSSCGKSA-N 272.356 0.865 10 10 CCCE CC(=O)C(=O)COC(=O)[C@H](C)NC(=O)OC(C)(C)C 808493425 DCVDBRNAFXQQCS-ZETCQYMHSA-N 273.285 0.601 10 10 CCCE C[C@H](N)c1ccc(N2C[C@H]3C[C@H](O)[C@H](O)[C@H]2C3)cc1O 2173318611 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CCCE NC[C@@H]1COC[C@@H]1Nc1c(N)cccc1C(=O)O 2071688770 PJAPBNMILWDCQG-XCBNKYQSSA-N 251.286 0.353 10 10 CCCE C[C@@H](c1ccccc1O)N(C)CC(=O)NCCO 2072451638 YZXXOKOPVCPFTK-JTQLQIEISA-N 252.314 0.494 10 10 CCCE C[C@H](C(=N)NO)C(=O)N(C)Cc1ccccc1O 2072466373 FHLRRSHYZILSGB-MRVPVSSYSA-N 251.286 0.943 10 10 CCCE C[C@@H]1[C@H](N)CCCN1c1cc2c(cc1N)OCC(=O)N2 2191891189 ITVKJEJQEKZRIW-RKDXNWHRSA-N 276.340 0.916 10 10 CCCE C[C@H](c1ccccc1O)N1CC[C@](O)(C(=O)O)C1 2076876719 FUPVPFCVMSCEPV-NOZJJQNGSA-N 251.282 0.975 10 10 CCCE NC[C@]1(O)CCCN(C(=O)c2cccc(O)c2O)C1 2101326461 LOWXUOITUAIKBH-CYBMUJFWSA-N 266.297 0.024 10 10 CCCE CCc1cccc(CNC[C@](O)(CO)COC)c1O 2102400068 UPZWFTIBMPXEKL-AWEZNQCLSA-N 269.341 0.414 10 10 CCCE CS[C@H]1COC[C@H]1Nc1c(N)cccc1C(N)=O 2086356523 ZEOPBCIJIWILPD-ZJUUUORDSA-N 267.354 0.910 10 10 CCCE COC(=O)[C@@H](O)CN1CCc2cc([C@H](C)N)ccc21 2089598175 ZKIGWNLAHDNMBZ-ZANVPECISA-N 264.325 0.603 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3C[C@H](O)C4(CC4)C3)ccc21 2093335652 KHSPDTNTVYFACZ-RYUDHWBXSA-N 259.309 0.600 10 10 CCCE COc1cc(N2CCN3C[C@H](O)C[C@H]3C2)ccc1CO 2204554769 ULAJOFJQHYIFRD-UONOGXRCSA-N 278.352 0.443 10 10 CCCE COc1ccc(N2CC([C@H](F)CO)C2)c(CO)c1 2220433302 YQZWKRDJGFEEES-GFCCVEGCSA-N 255.289 0.954 10 10 CCCE COc1ccc(N2CC[C@H]([C@@](C)(O)CO)C2)c(CO)c1 2235963687 SKVMZRVYIYTKKM-WFASDCNBSA-N 281.352 0.757 10 10 CCCE COc1ccc(N2CCNC(=O)C(F)(F)C2)c(CN)c1 2235963561 NYQVYEKCYUUKLW-UHFFFAOYSA-N 285.294 0.725 10 10 CCCE Cc1cc(N2C[C@@H]3COC[C@]3(CO)C2)ccc1CO 2226169359 QVGVTIXHNUXLKZ-UKRRQHHQSA-N 263.337 0.932 10 10 CCCE CCNCc1cc(OC)ccc1N1CC[C@@H]1C(N)=O 2227681153 HJMXYKOUJXYAQC-CYBMUJFWSA-N 263.341 0.869 10 10 CCCE CNCc1cc(OC)ccc1N1C[C@H](O)[C@@H](CO)C1 2227686200 PLTLBXRQZTWMOG-RISCZKNCSA-N 266.341 0.204 10 10 CCCE C[C@H](CNC(=O)c1cccc(O)c1O)[C@]1(O)CCNC1 2238448174 VMIAZSUVDLMSLF-OTYXRUKQSA-N 280.324 0.188 10 10 CCCE COc1ccc(N2C[C@H](O)C[C@H]2CO)c(OC)c1C 2277990332 BRWFEUOPJFWANQ-WDEREUQCSA-N 267.325 0.944 10 10 CCCE CN[C@@H](C)c1ccc(N2CC(OCC(N)=O)C2)cc1C 2285140359 QJFPTTVYCKWXDA-NSHDSACASA-N 277.368 0.966 10 10 CCCE O=[N+]([O-])c1cc(N2CC[C@@H]2[C@H](O)CO)ccc1CO 2270681264 VHDQLSLZKIAEJK-ZYHUDNBSSA-N 268.269 0.019 10 10 CCCE [N-]=[N+]=NCCCCN1C(=O)C(=O)N[C@H]2CCC[C@@H]21 2320224819 VGBJYMCZUHTZFH-IUCAKERBSA-N 251.290 0.956 10 10 CCCE CO[C@@H]1[C@@H](O)C[C@@H]1N[C@H](C)c1c(O)cccc1O 2313160262 YUPARVIUVNFAHA-YXPMNYRZSA-N 253.298 0.897 10 10 CCCE CN(NCc1ccc(O)cc1O)S(=O)(=O)C1CC1 2317486082 JGENLJZKZYJFDU-UHFFFAOYSA-N 272.326 0.526 10 10 CCCE C[C@H](NC(=O)CN1CCNCC1=O)c1ccccc1O 870987744 CKAKYGKNEUZXMS-JTQLQIEISA-N 277.324 0.001 10 10 CCCE O=C(NCc1ccccc1O)[C@H]1CO[C@@H]2CNC[C@@H]21 2329345466 XPQXBQZXPPVXLQ-NTZNESFSSA-N 262.309 0.243 10 10 CCCE O=C(CN1CC[C@H]2[C@@H](O)C[C@H]21)c1ccc(O)c(O)c1 2330897195 KVHVIFVKQHJBCX-FOGDFJRCSA-N 263.293 0.736 10 10 CCCE COC(=O)NC1CN(c2ccc(CN)c(OC)c2)C1 2351881196 FBVMBURSSDNYNT-UHFFFAOYSA-N 265.313 0.699 10 10 CCCE Cc1ccc(O)c(CNCCCNS(C)(=O)=O)c1 113317449 DVLUNOAWOVOXEZ-UHFFFAOYSA-N 272.370 0.730 10 10 CCCE CCN(CCN=[N+]=[N-])S(=O)(=O)N1CC(OC)C1 2300532217 RKWMBGUFFNGGOA-UHFFFAOYSA-N 263.323 0.194 10 10 CCCE CC(C)n1cc([C@@H](NCCCN=[N+]=[N-])C(N)=O)nn1 312124553 YIJXBVVHHCUGCO-SECBINFHSA-N 266.309 0.675 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CCC(OCCO)CC3)ccc21 129047215 PSUCVTAIMNQBLT-AWEZNQCLSA-N 291.351 0.616 10 10 CCCE C[C@@]1(CNC(=O)c2cccc(O)c2O)CCNC1 302430348 USQODWZMJXEVAI-CYBMUJFWSA-N 250.298 0.827 10 10 CCCE CC(=O)NCCNCc1cc2c(cc1O)OCO2 42879540 NBBKFOZOWBOFKG-UHFFFAOYSA-N 252.270 0.347 10 10 CCCE CN(C)CCNC(=O)CCOc1ccc(N)cc1 40292352 VATVGTWMXDLICX-UHFFFAOYSA-N 251.330 0.716 10 10 CCCE Cc1n[nH]c(C)c1[C@H](NCCCN=[N+]=[N-])C(N)=O 90260575 QOJCRRDHDILBBD-VIFPVBQESA-N 251.294 0.843 10 10 CCCE CC(=O)C(=O)COC(=O)C[C@](C)(O)C(F)(F)F 808500406 LJQOSJPMUDZTCE-QMMMGPOBSA-N 256.176 0.391 10 10 CCCE C[C@@H]1CN(C)C[C@H]1NC(=O)[C@H]1CNc2ccccc2N1 722212991 OHMITGGTVVVPFB-LERXQTSPSA-N 274.368 0.959 10 10 CCCE CN1[C@H]2CC[C@@H]1CN(c1ccc3c(c1)NC(=O)[C@H]3O)C2 723905393 JFYZBHXVAHNLIX-WDMOLILDSA-N 273.336 0.955 10 10 CCCE CC[C@@H]1C[C@@H](N)CN1C(=O)c1cc(O)c(O)c(O)c1 2132402758 ZZMKXHPSZWTDFN-RKDXNWHRSA-N 266.297 0.755 10 10 CCCE CN1C[C@H](C(=O)NCc2ccc(N(C)C)c(F)c2)NC1=O 824669482 MSZDYVMBJIQJEG-LLVKDONJSA-N 294.330 0.532 10 10 CCCE CC1(C)C(=O)NC(=O)N1CC(=O)NCc1ccccc1O 735858377 ZZWXNGWBLFFZHI-UHFFFAOYSA-N 291.307 0.339 10 10 CCCE COc1cccc(O)c1CN1CCO[C@@H]([C@H](C)O)C1 840978022 OSWMRDYYZHMXQO-IINYFYTJSA-N 267.325 0.982 10 10 CCCE C[C@@]1(CO)C[C@@H](O)CN1CC(=O)Nc1ccc(N)cc1 698157763 LGZKCZQDGQZCTP-OCCSQVGLSA-N 279.340 0.025 10 10 CCCE CCOC(=O)[C@H](N)C(=O)N[C@@H](C)c1ccccc1O 1877578254 KHOADNVOFFRREK-GZMMTYOYSA-N 266.297 0.460 10 10 CCCE Nc1ccc(OCCN2C(=O)COCC2=O)cc1 48667944 BSCSJJDFKHQTRQ-UHFFFAOYSA-N 250.254 0.033 10 10 CCCE Cn1nnc(C(=O)NCc2ccc3cccnc3c2O)n1 1162613173 XXTLPXKHTYEGBA-UHFFFAOYSA-N 284.279 0.394 10 10 CCCE CC(C)(N)C(=O)NCc1cc([N+](=O)[O-])ccc1O 83395078 LGQGXZCHAXPODM-UHFFFAOYSA-N 253.258 0.654 10 10 CCCE N[C@@H](C(=O)NC[C@H]1CCCO1)c1cc(F)ccc1O 83497050 NRTJHNSDMCOZHS-BXKDBHETSA-N 268.288 0.826 10 10 CCCE C[C@H](O)CNC(=O)[C@H](N)c1cc(Cl)ccc1O 83431013 BPDHBVUBHYIOEP-QUBYGPBYSA-N 258.705 0.542 10 10 CCCE COc1ccc2c(c1O)[C@@H]([C@@H]1CCC(=O)N1)NCC2 83708381 SUJRCFPCEWCPFZ-TVQRCGJNSA-N 262.309 0.866 10 10 CCCE C[C@@H](N)c1ccc(N2CCOC[C@H](O)C2)cc1O 399836587 ACVDIMAWAMHWSI-MWLCHTKSSA-N 252.314 0.609 10 10 CCCE CS(=O)(=O)C1CC(NCc2ccc(O)cc2O)C1 715274037 KUFGPHBODDZAQJ-UHFFFAOYSA-N 271.338 0.763 10 10 CCCE O=C(N[C@H]1CCCC[C@H]1C(=O)O)c1cc(O)nc(O)c1 70525155 GZPWEZNBRMFVLQ-BDAKNGLRSA-N 280.280 0.866 10 10 CCCE Cc1cc(N2CCC(CO)(CO)C2)ccc1CO 694613327 KCCVYTZSWPJJKP-UHFFFAOYSA-N 251.326 0.668 10 10 CCCE O=C(C[C@H]1COC(=O)C1)NCc1cccc(O)c1O 1350300746 XURUSAJKBFFLAW-MRVPVSSYSA-N 265.265 0.667 10 10 CCCE Cn1cnc(C(=O)NCc2c(O)cccc2F)cc1=O 1456028553 JGODGACKVYSVJS-UHFFFAOYSA-N 277.255 0.555 10 10 CCCE O=C(c1cccc(O)c1O)N1C[C@@H]2C[C@@H](CO)[C@@H]2C1 2117689675 OEPBTCUHJVBPGF-ATZCPNFKSA-N 263.293 0.798 10 10 CCCE O=C(c1c(F)ccc(O)c1O)N1C[C@@H]2[C@@H](CO)[C@@H]2C1 1472571790 GTGVYCPYNIAGRU-JIGDXULJSA-N 267.256 0.547 10 10 CCCE NC(=O)[C@H]1CCCCN1C(=O)Cc1ccc(O)c(O)c1 1543740776 QLUQNWYHHHXGNJ-SNVBAGLBSA-N 278.308 0.507 10 10 CCCE Oc1ccc(CN[C@@H]2CCn3nnnc3C2)cc1O 2119298564 OFLWIVJUDFBJMV-SECBINFHSA-N 261.285 0.189 10 10 CCCE Nc1ccc(OCC(=O)NC[C@H]2[C@H]3OCC[C@H]23)cc1 2119931684 ZDJAZFSHAHIRMO-BZPMIXESSA-N 262.309 0.799 10 10 CCCE O=C(N[C@@H]1CCN[C@@H]2CC[C@@H]21)c1cccc(O)c1O 2121234383 IEAUITSFHNNXRD-JMJZKYOTSA-N 262.309 0.968 10 10 CCCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnnc(O)c1 1567467988 XEXNEPFYWGQGMM-QMMMGPOBSA-N 289.291 0.954 10 10 CCCE C[C@@H](O)c1cn(CC(=O)NCc2ccc(O)cc2O)nn1 1643104295 TVRXXQZVYLFBML-MRVPVSSYSA-N 292.295 0.059 10 10 CCCE C[C@H]1CN(c2ccc3c(c2)OCO3)C[C@@H](O)CN1 251670832 LNMNPHKNUWNKLS-ONGXEEELSA-N 250.298 0.574 10 10 CCCE CN(C[C@H](N)CC(=O)O)c1ccc2c(c1)OCO2 259032604 ZSNBERWSFLDOHF-MRVPVSSYSA-N 252.270 0.654 10 10 CCCE N[C@@H]1C[C@@H]2CN(C(=O)c3cccc(O)c3O)C[C@@H]2C1 2128757186 BCMIEVPDSOVXPE-ILWJIGKKSA-N 262.309 0.907 10 10 CCCE [N-]=[N+]=NC[C@H]1CCN(CCN2CCCS2(=O)=O)C1 1912143350 DXUOTUSPDABQNZ-SNVBAGLBSA-N 273.362 0.654 10 10 CCCE CN(Nc1nc2c(s1)CNCC2)S(C)(=O)=O 1901343873 HMMUYLMSJMPMNE-UHFFFAOYSA-N 262.360 0.007 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1C[C@@H]2CC[C@]2(CO)C1 1901747322 KRNFUFNGJHYXGM-TVQRCGJNSA-N 264.281 0.337 10 10 CCCE NC(=O)[C@H]1CCCN(c2ccc3c(c2)NC(=O)[C@H]3N)C1 218419614 MWOYNIPSCMYVLT-UFBFGSQYSA-N 274.324 0.340 10 10 CCCE CN(C(=O)c1ccc(O)c(O)c1)C(C)(C)C(N)=O 1915532515 FYXKNDKMYKHOKR-UHFFFAOYSA-N 252.270 0.434 10 10 CCCE Cn1ccc(CCNC(=O)COc2ccc(N)cc2)n1 227213554 YEUINTTYMPKUCM-UHFFFAOYSA-N 274.324 0.740 10 10 CCCE C[C@H]1CS(=O)(=O)CCN1c1ccc(CN)cc1F 228723913 MIDXULNUPGYNND-VIFPVBQESA-N 272.345 0.908 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N(CCO)CC(F)(F)F)ccc21 231323370 KFMGLHUMBYIIBT-JTQLQIEISA-N 289.257 1.000 10 10 CCCE O=C(O)[C@H]1C[C@H](O)CCN1Cc1ccc(F)cc1O 2139765234 IMRRCFNULBKWDM-GHMZBOCLSA-N 269.272 0.941 10 10 CCCE Nc1cc2c(cc1N1CCCS(=O)(=O)CC1)OCCO2 236368600 XWTCMUXXMHKKCT-UHFFFAOYSA-N 298.364 0.665 10 10 CCCE Cc1cccc(CN[C@H]2COC[C@@H]2S(C)(=O)=O)c1O 2142489772 GFMGSNSJAOUGCE-RYUDHWBXSA-N 285.365 0.602 10 10 CCCE CCO[C@H]1CNCC[C@H]1NC(=O)c1ccc(O)c(O)c1 2146749973 OPAOPKVFRKHUQW-MFKMUULPSA-N 280.324 0.595 10 10 CCCE CN[C@H](c1ncn(C)n1)[C@@H](O)c1ccc(N(C)C)cc1 2147842417 ATJQHBFYZXYAJB-STQMWFEESA-N 275.356 0.875 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CCCNCCOCC1 2144880883 OPJQKRFVMUYKRF-UHFFFAOYSA-N 280.324 0.550 10 10 CCCE O=C1C[C@H](NCCc2ccc(O)c(O)c2)[C@H]2CCCN12 2148011335 JWLFGBIXIISLNP-NWDGAFQWSA-N 276.336 0.993 10 10 CCCE NC(=O)Cn1cc(NCc2cccc(O)c2O)cn1 41117142 OHYJGJGDWSRWCH-UHFFFAOYSA-N 262.269 0.392 10 10 CCCE COC(=O)[C@H](NCCN=[N+]=[N-])c1nc(C)ns1 2020564600 VPTPASAQCYLMOF-ZCFIWIBFSA-N 256.291 0.961 10 10 CCCE C[C@H]1CN(CCc2ccc(O)c(O)c2)S(=O)(=O)C1 2031080299 WSHFPUPHGYIPOR-VIFPVBQESA-N 271.338 0.922 10 10 CCCE CN1[C@H](CNCc2ccc(N)cc2)CCS1(=O)=O 2031669607 LAUICKVSZZQOHP-LBPRGKRZSA-N 269.370 0.392 10 10 CCCE Cc1cc(CNC2CC2)ccc1OC[C@H](O)CO 2037500441 AVLFNXOICKZGLA-CYBMUJFWSA-N 251.326 0.979 10 10 CCCE CC1(C)[C@@H](CN)OCCN1C(=O)c1ccc(O)c(O)c1 2159630893 JCUDHQRSJAVORO-GFCCVEGCSA-N 280.324 0.676 10 10 CCCE CO[C@@]1(CN)CCN(C(=O)c2cccc(O)c2O)C1 402848729 NCXYYIUWDKZRAI-CYBMUJFWSA-N 266.297 0.288 10 10 CCCE CN1CC[C@@H]1CNS(=O)(=O)Cc1ccc(N)cc1 710101814 ULJGDGJUCMMTLP-GFCCVEGCSA-N 269.370 0.392 10 10 CCCE C[C@H](O)[C@@H](C)NS(=O)(=O)Cc1ccc(N)cc1 386991034 FTAQSDICZQEZHL-BDAKNGLRSA-N 258.343 0.458 10 10 CCCE C[C@H](O)C1CN(S(=O)(=O)Cc2ccc(N)cc2)C1 719744711 FVDFJORSKUYARP-VIFPVBQESA-N 270.354 0.411 10 10 CCCE C[C@](O)(CCO)CNC(=O)CCOc1ccc(N)cc1 2163687758 HXHFIPYLQLFNBC-AWEZNQCLSA-N 282.340 0.287 10 10 CCCE Nc1ccc(CC(=O)N[C@@H]2CCNC(=O)CC2)cc1 396675579 TYVUNOZOSLHBFJ-LBPRGKRZSA-N 261.325 0.596 10 10 CCCE CO[C@@H]1COC[C@@H]1NC(=O)[C@H]1CNc2ccccc2N1 2177271499 QBDBZEKCHWVBFY-FRRDWIJNSA-N 277.324 0.423 10 10 CCCE Oc1ccc(-c2noc(C[C@H]3CNC[C@H]3O)n2)cc1O 2174334979 CZXKCAHEDONNEB-GZMMTYOYSA-N 277.280 0.271 10 10 CCCE C[C@@]1(O)CCN(CC(=O)c2ccc(O)c(O)c2)C[C@H]1O 2197964609 FIWMGDLIEDPRID-ZIAGYGMSSA-N 281.308 0.098 10 10 CCCE Cc1cncc(N(CC(N)=O)Cc2ccc(N)cc2)n1 2182652708 YGVWMSJQLHFVIW-UHFFFAOYSA-N 271.324 0.859 10 10 CCCE CS(=O)(=O)[C@@H]1CNC[C@H]1Nc1ccc(N)cc1 1909692676 UYYFQAWYHFHNPE-GHMZBOCLSA-N 255.343 0.066 10 10 CCCE CCn1nnnc1[C@@H](NC)c1ccc2c(c1)CCN2C 2196241894 XMRSGIBYYIQCJH-ZDUSSCGKSA-N 272.356 0.994 10 10 CCCE O=C(N[C@H](CCF)C(=O)O)c1cccc(O)c1O 2057440925 PEGMBDQMAXHEAF-SSDOTTSWSA-N 257.217 0.640 10 10 CCCE CN(CC(=O)N(C)c1ccc(N)cc1)C[C@@H]1CCN1C 2186453521 LJOJJARRFPEPQJ-AWEZNQCLSA-N 276.384 0.868 10 10 CCCE C[C@@](O)(CO)[C@@H]1CCN(Cc2ccc(N)cc2)C1 2082743764 ODAFWSWAUNHIAM-TZMCWYRMSA-N 250.342 0.834 10 10 CCCE NCCO[C@@H]1CCN(C(=O)c2cccc(O)c2O)C1 2109126200 RIENKBHXWHBRDR-SECBINFHSA-N 266.297 0.288 10 10 CCCE C[C@@H](O)c1ccc(N2CCOC[C@H]2[C@@H](O)CO)cc1 2090137993 FLUOICDXLJUVST-SWHYSGLUSA-N 267.325 0.298 10 10 CCCE CO[C@@H]1CN(CC(=O)Nc2ccc(N)cc2)C[C@@H]1F 2090291536 PROABSJNONQIAE-NWDGAFQWSA-N 267.304 0.876 10 10 CCCE C[C@H](c1ccccc1O)N1C[C@H](N)C[C@@H](C(N)=O)C1 2094663739 VBOMXXQPESMDPM-GMTAPVOTSA-N 263.341 0.588 10 10 CCCE C[C@@]1(C(=O)O)COCCN1C(=O)Cc1ccc(N)cc1 2201204497 CNMRGTJPGADWLR-AWEZNQCLSA-N 278.308 0.513 10 10 CCCE C[C@H]1O[C@H](C)C(=O)N(c2ccc(N)cc2C(=O)O)C1=O 2207320418 ZMWIDXRZOSWUET-RNFRBKRXSA-N 278.264 0.634 10 10 CCCE COc1ccc(N2CCC[C@](O)(C(N)=O)C2)cc1OC 2235114791 GBADIXULPVSQMY-CQSZACIVSA-N 280.324 0.520 10 10 CCCE CCNCc1cc(OC)ccc1N1C[C@@H](O)C[C@H]1CO 2235964021 VDNYIYGPAFYEPA-STQMWFEESA-N 280.368 0.737 10 10 CCCE COc1ccc(N2C[C@H]3C[C@H]2[C@H](O)[C@@H]3O)c(CO)c1 2227710363 FAUYVPSEJRFSJM-XAGKMFGPSA-N 265.309 0.118 10 10 CCCE CSc1ncc(CNC(=O)[C@@H]2COCC[C@H]2N)s1 2257085338 OPXKPPILQGLBAG-RKDXNWHRSA-N 287.410 0.845 10 10 CCCE Nc1ccc(NC(=O)N2CC[C@@H](O)[C@H](O)CC2)cc1 2269119507 SKVHXIAOKDMVMI-VXGBXAGGSA-N 265.313 0.618 10 10 CCCE Cc1cc(N2CC3(C2)OC[C@@H](O)[C@H]3O)ccc1[C@@H](C)O 2285173534 ODOUCYJBNFGUQO-LERXQTSPSA-N 279.336 0.359 10 10 CCCE CC[C@@H](O)c1ccc(N2CC3(CNC(=O)CO3)C2)cc1 2289659436 IJNIBSHDDRSSBX-CYBMUJFWSA-N 276.336 0.835 10 10 CCCE CCC[C@]1(NC(=O)c2cccc(O)c2O)CCNC1=O 2289941087 UCOPTKQRCREHAQ-AWEZNQCLSA-N 278.308 0.886 10 10 CCCE CC(=O)C(=O)[C@H](O)c1cncc(P(C)(C)=O)c1 2304496276 FWCVEWOBHFTKBH-LLVKDONJSA-N 255.210 0.521 10 10 CCCE Nc1ccc(O)c(CN2CC3(CC[C@@H](CO)O3)C2)c1 2336729548 AUDKEYMUXLAKGW-LBPRGKRZSA-N 264.325 0.700 10 10 CCCE CN1CCc2cc([C@@H](O)[C@H]3CO[C@@H]4CNC[C@@H]43)ccc21 2354609007 RLVPKJINPMZYSJ-OCVGTWLNSA-N 274.364 0.947 10 10 CCCE C[C@H](NC1CCN(CC(N)=O)CC1)c1cc(O)ccc1O 37140487 HQWOHMPLHDCAFF-JTQLQIEISA-N 293.367 0.698 10 10 CCCE CN(C)c1ccc(CN(C)S(=O)(=O)CC(=O)O)cc1 37832465 KPVGEEXYDCGJOJ-UHFFFAOYSA-N 286.353 0.599 10 10 CCCE CC(C)CN(CC(N)=O)Cc1cc(N)ccc1O 49770524 RJCJMMYKFOESHZ-UHFFFAOYSA-N 251.330 0.918 10 10 CCCE CC1(C)C[C@H](O)[C@@H](O)CN1Cc1cc(N)ccc1O 2132134580 GSLOZVSWTGVREN-STQMWFEESA-N 266.341 0.681 10 10 CCCE Nc1ccc(NC(=S)NCCN2CCNCC2)cc1 242453287 BOTRLYGUHWDHQX-UHFFFAOYSA-N 279.413 0.460 10 10 CCCE O=C(O)[C@@H](O)c1cc(Br)cc(O)c1O 258401158 KJNMEUHUDBQPKW-ZETCQYMHSA-N 263.043 0.978 10 10 CCCE O=C(O)[C@@H]1CN(c2ccc3c(c2)CCO3)CC[C@H]1O 606600638 OPRVODAXIIMWIT-VXGBXAGGSA-N 263.293 0.893 10 10 CCCE COc1ccc(N2CCN(Cc3nnn[nH]3)CC2)cc1 95317573 RFCNAFRKFHVDKL-UHFFFAOYSA-N 274.328 0.531 10 10 CCCE CNCc1ccc(N2C[C@H]3C(=O)NC(=O)[C@H]3C2)cc1C 386527242 AJXSQQHBNIWUOF-BETUJISGSA-N 273.336 0.423 10 10 CCCE CC(=O)C(=O)COC(=O)Cn1c(C)c(C)sc1=O 808508720 BSGAJRLWYZJLFB-UHFFFAOYSA-N 271.294 0.228 10 10 CCCE CNC(=O)[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(C)C 588407343 OHJOZYWPVTZTPS-VSKVDJIOSA-N 292.335 0.998 10 10 CCCE CON1CC[C@H](OC(=O)c2ccc(C)c(O)c2O)C1=O 922401629 RGZDRFDJEBUCLI-VIFPVBQESA-N 281.264 0.725 10 10 CCCE C[C@H]1CN(C(=O)c2cc(O)cs2)[C@@H](C)CN1CCO 854955076 PTFIUMROHNCMRE-UWVGGRQHSA-N 284.381 0.981 10 10 CCCE CN(C)c1ccc(CNC(=O)C2=NO[C@@H](CN)C2)cc1F 852862786 GKXKAUXKJZGHLZ-SNVBAGLBSA-N 294.330 0.612 10 10 CCCE COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CC(=O)N3)C2)cc1 855223938 JJGMHIIUEXVBAN-MFKMUULPSA-N 289.335 0.279 10 10 CCCE Cn1ccc(S(=O)(=O)N2Cc3cccc(O)c3C2)n1 867690527 HCCPIZRKQRYCAW-UHFFFAOYSA-N 279.321 0.830 10 10 CCCE COc1cc(N)c(N2CCOC[C@@H](N)C2)cc1OC 1876223681 OLWPCSFLYXEMOU-VIFPVBQESA-N 267.329 0.450 10 10 CCCE COc1ccc(N2C[C@H](N)C[C@]23CCOC3)c(N)c1 1876366160 ICOJZJJPPXPBEW-YGRLFVJLSA-N 263.341 0.974 10 10 CCCE O=C(/C=C/c1ccc(O)c(O)c1)N1CC=C[C@@H]1CO 1153292800 SOEKMRKXKPOHIH-DUMNWFOQSA-N 261.277 0.870 10 10 CCCE CN(C)CCOc1ccc(N(C)C[C@@H](O)CO)cc1 1884464045 IXLUSYAPTIFJIH-CYBMUJFWSA-N 268.357 0.416 10 10 CCCE CC[C@H](N)C(=O)NCc1c(O)cc(OC)cc1OC 83497209 WLABINVTIKVNBA-JTQLQIEISA-N 268.313 0.763 10 10 CCCE Cc1ccc(O)c([C@H](N)c2nnc([C@H](O)CO)o2)c1 83480998 AMAWMTNNNRWPOB-ZJUUUORDSA-N 265.269 0.157 10 10 CCCE COc1ccc(N(C)CCS(=O)(=O)CC(=O)O)cc1 394030819 IEOBOTWQPFBTOW-UHFFFAOYSA-N 287.337 0.631 10 10 CCCE Nc1ccc(NC(=O)N2CC[C@H](c3nn[nH]n3)C2)cc1 720628518 PVLSNGBJYHVYEN-QMMMGPOBSA-N 273.300 0.803 10 10 CCCE CN[C@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1332128429 PYIRXBQRCSNEFB-NSHDSACASA-N 289.335 0.055 10 10 CCCE COc1ccc(N2C[C@H](O)C[C@@H]2CO)c([N+](=O)[O-])c1 698167423 KWMCFSOMVQQWKS-RKDXNWHRSA-N 268.269 0.535 10 10 CCCE COCCNC(=O)CNCc1cnc(SC)s1 2248641764 JSAGUPZPMWKGHJ-UHFFFAOYSA-N 275.399 0.717 10 10 CCCE NC(=O)c1c[nH]c(C(=O)NCc2ccc(O)cc2O)c1 1299575249 YKOMSHQLSQWGOZ-UHFFFAOYSA-N 275.264 0.455 10 10 CCCE C[C@H](NC1[C@H]2CS(=O)(=O)C[C@H]12)c1c(O)cccc1O 2118010625 VSKLQXMTHBSHMC-CIUDSAMLSA-N 283.349 0.791 10 10 CCCE CN(CCNC(=O)Cc1ccc(O)c(O)c1)CC(F)F 1470738494 ICLSBUBXZFDNPP-UHFFFAOYSA-N 288.294 0.953 10 10 CCCE Cc1nc(O)[nH]c1C(=O)NCc1ccc(O)cc1O 1557085836 XJHKEINSBLEHJD-UHFFFAOYSA-N 263.253 0.765 10 10 CCCE CN(C)c1ccc(CNC(=O)Cn2c(O)nnc2O)cc1 1628708642 QCLZMJDYGJKPPL-UHFFFAOYSA-N 291.311 0.072 10 10 CCCE COc1ccc(O)c(CN2CC[C@@H](N)[C@H](CO)C2)c1 2122394263 VWJMSZDXXQIEFA-WCQYABFASA-N 266.341 0.542 10 10 CCCE O=[N+]([O-])c1cc(CO)ccc1N1C[C@@H]2[C@H](CO)[C@@H]2C1 2125595438 NOMVBNHOAALPDK-JGPRNRPPSA-N 264.281 0.762 10 10 CCCE COC(=O)[C@@H]1COCCN1c1ccc(OC)cc1[N+](=O)[O-] 163586207 SSFDZUPWSLUVGD-LBPRGKRZSA-N 296.279 0.982 10 10 CCCE CN(C)c1ccc(CN2CC[C@H](NCCO)C2)cc1 258679527 WALSMCDTFLNRQY-AWEZNQCLSA-N 263.385 0.909 10 10 CCCE OC[C@H]1COCCN1c1ccc2c(c1)OCCO2 259461677 XDJACHZLRGJKIV-NSHDSACASA-N 251.282 0.655 10 10 CCCE CCn1nnnc1CN1CCc2cc(CN)ccc21 2133395440 ZSMXDYKTURFGBR-UHFFFAOYSA-N 258.329 0.714 10 10 CCCE Nc1cc(O)ccc1NS(=O)(=O)N1CCC[C@H](O)C1 1914168525 XOBYIUBABNWDKG-VIFPVBQESA-N 287.341 0.088 10 10 CCCE Nc1ccc(OCCN2CC(OCCCO)C2)cc1 2141978385 XZOSPMKCWLHBJA-UHFFFAOYSA-N 266.341 0.731 10 10 CCCE Oc1ccc(CNCCCN2CCOCC2)c(O)c1O 226749391 PGZZNTPZCUEUBJ-UHFFFAOYSA-N 282.340 0.615 10 10 CCCE C[C@@H]1CNC[C@H](NC(=O)Cc2ccc(O)c(O)c2)C1 1922779934 RRDDCOXUWBAJKE-GXSJLCMTSA-N 264.325 0.755 10 10 CCCE Nc1ccc(OCC(=O)Nc2ccc(=O)[nH]n2)cc1 227880322 BZWGZPCCYXZKLH-UHFFFAOYSA-N 260.253 0.370 10 10 CCCE 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COc1cccc(O)c1CN[C@@H]1C[C@H]2C[C@H]1[C@H](O)[C@H]2O 1974157580 NNWNBWRHLQTDQT-XXFFHVPGSA-N 279.336 0.621 10 10 CCCE CN1C[C@@H](C(=O)O)N(Cc2c(O)cccc2Cl)CC1=O 2143811982 VVNFLFLWJDSNMY-JTQLQIEISA-N 298.726 0.773 10 10 CCCE COC(=O)[C@@]1(O)CCN(c2ccc(OC)cc2)C1 260438586 MOPDKNWZTKOOPT-CYBMUJFWSA-N 251.282 0.809 10 10 CCCE C[C@]1(C(=O)NCCc2ccc(O)c(O)c2)COC[C@@H]1N 2148004535 PGHALPSSURSJCT-JSGCOSHPSA-N 280.324 0.120 10 10 CCCE C[C@@H](O)c1ccc(N2CC[C@@H](OCC(N)=O)C2)cc1O 2145372798 VZLNVKCJNBLIPY-MWLCHTKSSA-N 280.324 0.526 10 10 CCCE [N-]=[N+]=NCCN[C@@]1(C(N)=O)C[C@@H]2CSC[C@@H]2C1 1998115325 MGHKLIGGSIXULT-MBTKJCJQSA-N 255.347 0.883 10 10 CCCE C[C@H]1CN(C(=O)COc2ccc(N)cc2)CC[C@@H]1O 165929529 BEFGESOLFPAEIM-GWCFXTLKSA-N 264.325 0.877 10 10 CCCE C[C@H](O)CN(C[C@@H](C)O)C(=O)Cc1ccc(O)c(O)c1 2159728716 GSKSYABBSHUHPL-AOOOYVTPSA-N 283.324 0.231 10 10 CCCE COCCNC(=O)COC(=O)Cc1ccc(N)cc1 49279358 VNBBEWXRFUUUPC-UHFFFAOYSA-N 266.297 0.117 10 10 CCCE Nc1ccc(CC(=O)NC2CC(n3cncn3)C2)cc1 2159858327 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CN[C@@H]1CCc2cc(N3C[C@H]4C[C@H]3[C@@H](O)[C@H]4O)ccc21 2184710337 DJTHASKROBJBSL-QPHLWMPCSA-N 274.364 0.824 10 10 CCCE C[C@](O)(CO)CN1CCCc2cc(CN)ccc21 2049129014 BEMXVUVZXZGMOT-CQSZACIVSA-N 250.342 0.641 10 10 CCCE OC[C@H]1C[C@@H]1CNCc1cc2c(cc1O)OCO2 2053967926 VOUVGNMZXZRKNA-PSASIEDQSA-N 251.282 0.839 10 10 CCCE C[C@H](N)c1cc(F)c(N2CC3(CNC(=O)N3)C2)c(F)c1 2194687292 GUNBUBYKICXTQU-ZETCQYMHSA-N 282.294 0.856 10 10 CCCE CNC1(CNS(=O)(=O)CCOc2ccc(N)cc2)CC1 2191631700 PXKFTKSSCZDUGP-UHFFFAOYSA-N 299.396 0.319 10 10 CCCE [N-]=[N+]=NCCN[C@]1(C(N)=O)C[C@H]2[C@H]3CC[C@@H](O3)[C@H]21 2068377534 OWSDAKFIZAGYQW-OKZKDYFGSA-N 251.290 0.308 10 10 CCCE CN1CC[C@@H](CNCc2ccc(O)c(O)c2)C1=O 2074213175 GYXCJIXYRPZLJX-JTQLQIEISA-N 250.298 0.666 10 10 CCCE CC1(C)OC[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)[C@H]1O 2199437055 RAVHDWSUVGQVHV-RDDDGLTNSA-N 283.280 0.072 10 10 CCCE Nc1ccc(CNCc2nnc3ncccn23)cc1 2104143366 UZMUJASUWOYWIJ-UHFFFAOYSA-N 254.297 0.996 10 10 CCCE C[C@@H](N)c1ccc(N2CC[C@@H](OCC(N)=O)C2)cc1 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Cc1cc(N2C[C@H](O)C[C@@H](O)C2)ccc1[C@@H](C)N 2257459795 YJUKXLXJNJBPHG-RAIGVLPGSA-N 250.342 0.947 10 10 CCCE Cc1cc(N2CC(CO)(CO)C2)ccc1[C@H](C)N 2257457973 MPGXXVUBMDSXOW-NSHDSACASA-N 250.342 0.806 10 10 CCCE CS(=O)(=O)N1CC[C@@H](OC(=O)Nc2ccc(N)cc2)C1 2285645417 QNGDLSKVKBABMF-LLVKDONJSA-N 299.352 0.851 10 10 CCCE COC(=O)C1(NCCCN=[N+]=[N-])C[C@H]2COC[C@@H](C1)N2 2285751924 CRAJHRYYXBMDDN-DHHPTOIESA-N 283.332 0.339 10 10 CCCE O=C(N[C@H]1CCN[C@@H]2CC[C@H]12)c1ccc(O)c(O)c1 2330839426 XIYXADOZJHFLGJ-AXFHLTTASA-N 262.309 0.968 10 10 CCCE N[C@@H]1CCc2cc(N3C[C@@H]4C[C@H]3[C@@H](O)[C@@H]4O)ccc21 2331550792 QCLPIYXDUHSAHT-KGKICYMHSA-N 260.337 0.563 10 10 CCCE C[C@@H](O)c1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)c(Cl)c1 2332913159 KBSKVSHGOCGCFK-KQXJFYCDSA-N 287.743 0.296 10 10 CCCE CSc1cc(N2C[C@@H](O)[C@H](N(C)C)C2)ccc1CN 2353857163 OKKPSJXWWNULDI-CHWSQXEVSA-N 281.425 0.978 10 10 CCCE O=C1Nc2cc(N3C[C@@H]4C[C@@H](O)[C@H]3C4)c(F)cc2[C@H]1O 2355625502 HQZSQKFNFGLGHJ-AAGLOMFBSA-N 278.283 0.771 10 10 CCCE C[C@H]1C[C@@H]1NC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 52296361 RKMVELYUOACXCW-HGNGGELXSA-N 294.307 0.801 10 10 CCCE C[C@H]1C[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1O 76000463 YPJTVSZJIMKWAT-XVKPBYJWSA-N 284.337 0.902 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3CCC[C@@H](C(N)=O)C3)ccc21 223427386 GGBGSTVAAIFBNT-RNCFNFMXSA-N 288.351 0.601 10 10 CCCE [N-]=[N+]=NCCN[C@]1(C(N)=O)CCO[C@H](C(F)(F)F)C1 382108577 QXHQSEYHZJRMNA-POYBYMJQSA-N 281.238 0.852 10 10 CCCE CNC[C@H]1CCCN1C(=O)c1ccc(O)c(O)c1 234373058 VISDSLFVHPQICQ-SNVBAGLBSA-N 250.298 0.922 10 10 CCCE O=C(N[C@H](C(=O)O)C1CC1)c1ccc(O)c(O)c1 236443900 SQLLTPAPLUHDBZ-JTQLQIEISA-N 251.238 0.691 10 10 CCCE [N-]=[N+]=NCCCN[C@]1(C(N)=O)CCN2CC[C@H]1C2 97842830 GEMHBBHVAMYKJN-GXSJLCMTSA-N 252.322 0.226 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CC[C@@H]2[C@H](O)C[C@H]21 2132350951 RWTSPYINMLNCQE-DJLDLDEBSA-N 265.265 0.399 10 10 CCCE CN1C(=O)C(=Cc2cnn(C)c2Cl)C(=O)N(C)C1=O 834398293 GGXFLLBMUAYHAJ-UHFFFAOYSA-N 282.687 0.507 10 10 CCCE O=C1NCC2(CCOCC2)[C@H]1NCc1cc(F)ccc1O 895771307 JRZRVKUUBFVIIT-ZDUSSCGKSA-N 294.326 0.916 10 10 CCCE CNC(=O)NC(=O)CN(C)[C@@H](C)c1ccccc1O 1877538102 KXPPOURNLAIRDN-VIFPVBQESA-N 265.313 0.841 10 10 CCCE C[C@H](N)c1cc(F)c(N2CC[C@@](O)(CO)C2)c(F)c1 1880925656 DRKFAXCGBAPICE-SDBXPKJASA-N 272.295 0.918 10 10 CCCE COC(=O)NCC(=O)NCc1c(O)cccc1O 1304051103 UKQZFYYQIXZBAT-UHFFFAOYSA-N 254.242 0.070 10 10 CCCE CCN1CCO[C@@H](CNCc2ccc(O)cc2O)C1 134435193 DWQLXLRNVLLRCQ-ZDUSSCGKSA-N 266.341 0.908 10 10 CCCE CN[C@@H](Cc1nccn1-c1ccc(N)cc1)C(=O)O 76170549 JKLGIZKAEHRUEF-NSHDSACASA-N 260.297 0.670 10 10 CCCE CN(C)c1ccc(CN2CC(=O)C[C@@H]2C(=O)O)cc1 84142508 KDUBEGWNILTJCQ-CYBMUJFWSA-N 262.309 0.981 10 10 CCCE CCOC(=O)NS(=O)(=O)NCCCN=[N+]=[N-] 168617010 WECWPBHHGOKCCX-UHFFFAOYSA-N 251.268 0.267 10 10 CCCE CN1CC[C@@H](N(C)CC(=O)c2ccc(O)c(O)c2)C1=O 690302951 WBRVFASLKORCKW-SNVBAGLBSA-N 278.308 0.443 10 10 CCCE CN1CC[C@@H](C(=O)NCCc2ccc(O)c(O)c2)C1 762268352 CVOUEXIUHZMWQW-LLVKDONJSA-N 264.325 0.708 10 10 CCCE C[C@H](c1ccc(O)cc1O)N1CCN(CC(=O)O)CC1 86731141 NFMVRSVZTZLKAV-SNVBAGLBSA-N 280.324 0.861 10 10 CCCE CN(C)C[C@H]1C[C@H](O)CN1Cc1cc(N)ccc1O 97245251 SYELKXQSRLCFEX-OLZOCXBDSA-N 265.357 0.471 10 10 CCCE CNCc1ccc(N2C[C@@H](O)C[C@@H]2CN(C)C)cc1 97247628 NTEZDXJUGBOXSY-CABCVRRESA-N 263.385 0.907 10 10 CCCE CN=c1nc[nH]c(=NCc2cnc(SC)s2)[nH]1 2248733632 AVBYUPNTBMISQY-UHFFFAOYSA-N 268.371 0.548 10 10 CCCE C[C@H](N)c1ccc(N2C[C@H]3NC(=O)O[C@@H]3C2)cc1O 2120393345 CENHTQKQUKZHGN-HNBZJPLGSA-N 263.297 0.709 10 10 CCCE CO[C@@H]1COC[C@@H]1NC(=O)CCc1ccc(N)cc1 2120763035 PJUOEMXFSCZSJZ-QWHCGFSZSA-N 264.325 0.731 10 10 CCCE COCCNCc1ccc(N2CCNCC2)c(OC)c1 212698357 DUBDEVCIMQCXIH-UHFFFAOYSA-N 279.384 0.841 10 10 CCCE OCc1ccc(N2C[C@@H]3OC[C@@H](CO)[C@@H]3C2)c(F)c1 2121593801 RMOMSAHFAWOFDA-SUNKGSAMSA-N 267.300 0.762 10 10 CCCE CN1CCO[C@@H](C(=O)NCc2cc(O)ccc2O)C1 1633595424 VPBHKPOUEXAUPA-GFCCVEGCSA-N 266.297 0.045 10 10 CCCE CN(C(=O)c1c(F)ccc(O)c1O)[C@@H]1CCNC1=O 1650891541 GEXNMCUMZQZFSD-SSDOTTSWSA-N 268.244 0.197 10 10 CCCE C[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CC[C@H]1O 1634715223 OZRYFYYRVUIMEN-GXSJLCMTSA-N 265.309 0.870 10 10 CCCE CN(c1ccc2c(c1)CC[C@@H]2N)[C@@H]1CC(=O)NC1=O 2128328950 VBSRCJMKCDHBFX-NWDGAFQWSA-N 259.309 0.484 10 10 CCCE COc1ccc(CNc2nc[nH]c2C(N)=O)c(O)c1 106277624 NYRJBHUWCBILNH-UHFFFAOYSA-N 262.269 0.835 10 10 CCCE COC(=O)[C@](C)(NCCN=[N+]=[N-])c1ccnn1C 1912199466 SNNPAWYPDPOZCW-SNVBAGLBSA-N 252.278 0.708 10 10 CCCE C[C@H](O)c1ccc(N(C)[C@H]2CCNC2=O)cc1O 1916795377 PLIUXYKOIVEDOB-KWQFWETISA-N 250.298 0.770 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3CC[C@@H](CO)C3)cc21 226455419 OPPWHJUZCMFIKH-NOZJJQNGSA-N 261.325 0.481 10 10 CCCE C[C@]1(C(=O)O)COCCN1Cc1ccc(O)c(O)c1 2136507079 OWDOAPCXVLJRRM-CYBMUJFWSA-N 267.281 0.773 10 10 CCCE Cc1cccc(O)c1CNC[C@@H]1CCS(=O)(=O)N1 1967798026 QWDSYBRFZOVNCH-JTQLQIEISA-N 270.354 0.482 10 10 CCCE Oc1c(F)cccc1CNCCN1CC2(COC2)C1 1967703115 LVSFQADILDRVTL-UHFFFAOYSA-N 266.316 0.953 10 10 CCCE NN[C@H](c1ccccc1O)[C@@H]1CCCS1(=O)=O 1942401124 PDAGPNQYARJFNN-WDEREUQCSA-N 256.327 0.474 10 10 CCCE CN1C[C@H](NCc2ccc(Cl)cc2O)[C@H](O)C1 1942691890 ZWVTVBSRBXZWBS-CMPLNLGQSA-N 256.733 0.810 10 10 CCCE C[C@H]1CNCCN(Cc2ccccc2O)S1(=O)=O 258075181 JLGOZUBKHWNBCB-JTQLQIEISA-N 270.354 0.516 10 10 CCCE Oc1c(CN2CCNCC2)cc2c(c1F)OCCO2 258562565 MTGWRZHPJSEFRN-UHFFFAOYSA-N 268.288 0.708 10 10 CCCE Oc1c(CN2CCNCC2)cc2c(c1F)OCO2 258557643 GYEOGPUDQSGAGS-UHFFFAOYSA-N 254.261 0.665 10 10 CCCE CCc1nn(C)c([C@@H](O)C(=O)C(C)=O)c1Br 1989596955 NMANATYDQMGYDD-SNVBAGLBSA-N 289.129 0.937 10 10 CCCE C[C@@H](N)c1ccc(N2CCNC(=O)C(F)(F)C2)cc1O 2146736032 DWZOTOWMKSHDAU-MRVPVSSYSA-N 285.294 0.983 10 10 CCCE C[C@@H](O)c1ccc(N2C[C@H](O)[C@@H](N(C)C)C2)cc1 2029438411 TZVUDGXVAYDPAJ-SWHYSGLUSA-N 250.342 0.851 10 10 CCCE CN(C)c1ccc(CN[C@@H]2COC[C@H]2CO)cc1 2029844617 NZVQOFWPTFUCFW-TZMCWYRMSA-N 250.342 0.850 10 10 CCCE COC[C@@H](N[C@H](C)c1cc(C)ccc1O)C(N)=O 2034938857 FIPWPJJYYZIISZ-MWLCHTKSSA-N 252.314 0.852 10 10 CCCE CCNC(=O)C[S@](=O)CC(=O)Nc1ccc(N)cc1 311489048 NBOWHZBKBOCJAX-IBGZPJMESA-N 283.353 0.092 10 10 CCCE CN1C[C@H]2C[C@H]1CN(c1ccc3c(c1)NC(=O)[C@H]3N)C2 2160690491 LRBAKDDMRRRYCV-PUYPPJJSSA-N 272.352 0.779 10 10 CCCE CN1C[C@H](NC(=O)CCOc2ccc(N)cc2)CC1=O 312798818 AOQKCMWTLUGPMW-LLVKDONJSA-N 277.324 0.385 10 10 CCCE Cc1cc(CO)ccc1N1CC[C@H]2C(=O)NC(=O)[C@@H]2C1 2158789706 OBLOGSXGPZHCON-VXGBXAGGSA-N 274.320 0.586 10 10 CCCE OC[C@H]1CN(c2ccc(CNC3CC3)cc2)C[C@H]1O 316853752 DFYNWHFCHXFETG-IUODEOHRSA-N 262.353 0.728 10 10 CCCE CNCc1ccc(OC)c(CN2CCOCC2=O)c1 93225579 AQPZHWALTWLXNW-UHFFFAOYSA-N 264.325 0.773 10 10 CCCE C[C@@H](C(=O)Nc1ccc(N)cc1)N(C)CCS(C)(=O)=O 94297343 LVPBDEVMRPHMER-JTQLQIEISA-N 299.396 0.572 10 10 CCCE COc1ccc(N(C)CC(C)(CO)CO)c(N)c1 689870733 GKQFNKOZLWGYQK-UHFFFAOYSA-N 254.330 0.705 10 10 CCCE COC[C@H](CN(C)C(=O)c1ccc(O)c(O)c1)OC 691288344 UXRFUFULNAIGAZ-JTQLQIEISA-N 269.297 0.831 10 10 CCCE NC(=O)C1CN(c2ccc(CNC3CC3)cc2F)C1 381985967 MHZDGLOMSBICOM-UHFFFAOYSA-N 263.316 0.999 10 10 CCCE CN(C)c1ccc(CN2CCOC[C@]2(CN)CO)cc1 693949228 BURLKYHMJRTFFD-HNNXBMFYSA-N 279.384 0.275 10 10 CCCE CCOc1cccc(CN[C@@H](CO)CN(C)C)c1O 716752717 KRDLZWILDGMULF-GFCCVEGCSA-N 268.357 0.803 10 10 CCCE CCN1CC[C@@H](NC(=O)COc2ccc(N)cc2)C1 389220439 FGVBCIGMWIFYMZ-GFCCVEGCSA-N 263.341 0.858 10 10 CCCE Nc1ccc(CCN2CC[C@H](O)[C@@H](CO)C2)cc1 396926912 MUTLJDWIXMNVOV-OCCSQVGLSA-N 250.342 0.486 10 10 CCCE CN(C)c1ccc(CNC(=O)[C@]2(O)CCCNC2)cc1 852855957 RMWGUYCGFGKKQM-HNNXBMFYSA-N 277.368 0.483 10 10 CCCE O=C1Nc2cc(N3C[C@@H]4[C@H](CO)[C@@H]4C3)c(Cl)cc2[C@H]1O 2182047368 FDXWHMXADAJUQL-LOKDSWTASA-N 294.738 1.000 10 10 CCCE Nc1cc2c(cc1N1C[C@@H]3[C@H](CO)[C@@H]3C1)NC(=O)CO2 2182050620 QTHWCQBFECMRRT-AYMMMOKOSA-N 275.308 0.274 10 10 CCCE CON(C(=O)c1cc(O)c(O)c(O)c1)C1CCNCC1 2188920141 SPBXVAHORZYXBX-UHFFFAOYSA-N 282.296 0.559 10 10 CCCE NC[C@@H](CNC(=O)c1cc(O)c(O)c(O)c1)C(F)(F)F 2188921814 CZDGEZMCTUVCSF-LURJTMIESA-N 294.229 0.670 10 10 CCCE Cc1cc(NS(=O)(=O)N2CC(CN)C2)ccc1O 2042997403 DKTJLXZGGTZBMT-UHFFFAOYSA-N 271.342 0.248 10 10 CCCE CNC(=O)OCCNCc1c(O)cccc1OC 2042963220 JBDBLWGGBAKDPR-UHFFFAOYSA-N 254.286 0.846 10 10 CCCE C[C@@H](O)CN1CCN(c2ccc(CO)cc2)CC1 2050841041 CEHWLYJBBMSRND-GFCCVEGCSA-N 250.342 0.682 10 10 CCCE CC1(C(=O)NCC2(CN=[N+]=[N-])CC2)CS(=O)(=O)C1 2054025639 IEGOSJISWLKDLP-UHFFFAOYSA-N 272.330 0.628 10 10 CCCE COC[C@@H]1CNCCN1c1cc2c(cc1N)OCCO2 2191604246 ZAYIYXUUMZRGGO-JTQLQIEISA-N 279.340 0.465 10 10 CCCE C[C@@]1(O)CC[C@@H](NC(=O)c2cc(O)nc(O)c2)C1 2066749808 GPJNKUXDRHFUFN-PRHODGIISA-N 252.270 0.526 10 10 CCCE O=C(CN1CCO[C@@H]2COC[C@H]21)c1ccc(O)c(O)c1 2192634527 QRRKFTIALYKBKU-QMTHXVAHSA-N 279.292 0.380 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CCOCCO2)cc1 2077878053 UMJDWFIQKKCSRG-UHFFFAOYSA-N 272.326 0.362 10 10 CCCE COC(=O)CN(C)S(=O)(=O)N(C)c1ccc(N)cc1 2106307014 HIDGUKYAJXUHFR-UHFFFAOYSA-N 287.341 0.055 10 10 CCCE CN(c1ccc(N)cc1)S(=O)(=O)[C@H]1C[C@H](C(=O)O)C1 2106307513 NICNULPNGDNBBF-JLIMDTESSA-N 284.337 0.898 10 10 CCCE O=C1N[C@@]2(CNCc3ccc(O)cc3O)CC[C@H]1C2 2089316421 DFNNGQQKGGHMGA-XPTSAGLGSA-N 262.309 0.856 10 10 CCCE CS(=O)(=O)C1(CS(=O)(=O)CCN=[N+]=[N-])CC1 2211978741 JXVUFOMJWTVNCI-UHFFFAOYSA-N 267.332 0.289 10 10 CCCE COCCn1nnnc1CNCc1ccccc1O 2113069284 CZJKMBXVEPVHEY-UHFFFAOYSA-N 263.301 0.315 10 10 CCCE NCCc1nnc(NS(=O)(=O)Cc2ccc(N)cc2)o1 2203644036 LIPBAXSZJNEJAN-UHFFFAOYSA-N 297.340 0.095 10 10 CCCE C[C@H](NCc1noc(C(N)=O)n1)c1ccccc1O 2270352401 YTDWINDRQJVKGE-ZETCQYMHSA-N 262.269 0.725 10 10 CCCE [N-]=[N+]=NCCCCNC(=O)[C@H]1CC[C@@H](C(=O)O)O1 2218735032 KYQFUBQHJZXPCF-SFYZADRCSA-N 256.262 0.825 10 10 CCCE Cc1cc([C@H](C)N)ccc1N1CC(NS(C)(=O)=O)C1 2232105223 SJBCWANZAMKVDJ-JTQLQIEISA-N 283.397 0.753 10 10 CCCE COc1ccc(N2CC(N3CCCC3=O)C2)c(CO)c1 2236002295 MFZXGOYNZNHONF-UHFFFAOYSA-N 276.336 0.999 10 10 CCCE COc1ccc(N2C[C@@H](CO)[C@H](CO)C2)c(CO)c1 2227708643 KVRZXORIFBATSN-RYUDHWBXSA-N 267.325 0.225 10 10 CCCE CCn1nncc1S(=O)(=O)Nc1ccc(O)c(N)c1 2227870576 SMCRFRVWRRWOMT-UHFFFAOYSA-N 283.313 0.387 10 10 CCCE O=c1c2c(ccn1C[C@@H]1C[C@H]3C[C@@H]3CO1)CCNC2 2228428700 HTZDTYPSGZRTSU-UPJWGTAASA-N 260.337 0.919 10 10 CCCE Cc1cc([C@H](C)N)ccc1N1CCOC[C@H]1[C@@H](O)CO 2240763254 TUXSVZQFZBFAES-CQDKDKBSSA-N 280.368 0.573 10 10 CCCE N[C@@H]1CCCc2cc(N3CC[C@H]3[C@@H](O)CO)ccc21 2270710273 LEQSPTBTBBTOTF-ILXRZTDVSA-N 262.353 0.955 10 10 CCCE COC(=O)[C@]1(NCCCN=[N+]=[N-])COC2(COC2)C1 2270794048 ZJOHITWIFOXPAS-LLVKDONJSA-N 270.289 0.378 10 10 CCCE Oc1ccc(CN[C@H]2CCC[C@@H](O)[C@H]2O)cc1O 2312194218 JJVOYMBATNZKAI-NDMJEZRESA-N 253.298 0.462 10 10 CCCE C[C@@H](O)CC(=O)N1CCc2cc(O)c(O)cc2C1 2318624653 DMLVLYDDXHKNLC-MRVPVSSYSA-N 251.282 0.753 10 10 CCCE CS(=O)(=O)[C@@H]1CC[C@@H]1NCc1ccc(O)c(O)c1 2319829397 SJBHVGFYGJSYON-JOYOIKCWSA-N 271.338 0.763 10 10 CCCE CNCc1ccc(N2C[C@@H]3C[C@H]2[C@@H](O)[C@H](O)C3)cc1 2330368835 CUUJPEGELQDVBL-FAAHXZRKSA-N 262.353 0.726 10 10 CCCE O=C(NC[C@H]1C[C@@H]2CC[C@H]1N2)c1ccc(O)c(O)c1 2330510233 OYQMWFIHWNUESI-OUAUKWLOSA-N 262.309 0.968 10 10 CCCE COc1ccc(N2C[C@@H]3CS(=O)(=O)[C@H]3C2)c(CN)c1 2336472912 HRZIXUMDJIONKN-MFKMUULPSA-N 282.365 0.387 10 10 CCCE N=c1nnc(OCc2cnn(CC(F)(F)F)c2)n[nH]1 2343067249 RTYXQYISOMCONF-UHFFFAOYSA-N 275.194 0.017 10 10 CCCE Nc1ccc(CCC(=O)N2C[C@@H]3C[C@H]2[C@H](O)[C@@H]3O)cc1 2354481716 BYQIXXHVYJCCED-FATJJJSSSA-N 276.336 0.154 10 10 CCCE Nc1ccc(CCNC(=O)c2cc(O)[nH]c(=O)c2)cc1 63129825 KZFFTTHPVCVQAQ-UHFFFAOYSA-N 273.292 0.635 10 10 CCCE CCCNS(=O)(=O)NCCOc1ccc(N)cc1 126105546 MPSPPTKJWRSLDT-UHFFFAOYSA-N 273.358 0.482 10 10 CCCE O=[N+]([O-])c1cc(N2C[C@@H](CO)[C@@H](F)C2)ccc1CO 2132057862 JLSSMMJVLMKTDS-ONGXEEELSA-N 270.260 0.854 10 10 CCCE C[C@@H](O)CCN(C)CC(=O)N(C)c1ccc(N)cc1 135532567 GMCFYACHQSDZIS-LLVKDONJSA-N 265.357 0.934 10 10 CCCE CN[C@H]1COC[C@@H]1C(=O)N(C)Cc1ccccc1O 90435552 PTGWGIJLTDBKDS-RYUDHWBXSA-N 264.325 0.585 10 10 CCCE CN[C@H](C)c1ccc(N(C)C(CO)CO)cc1O 385709798 KTUILCIEEAVNNE-SECBINFHSA-N 254.330 0.462 10 10 CCCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CSC(=O)N1 274936768 ORFDLUZFHGVZBI-CBAPKCEASA-N 296.348 0.970 10 10 CCCE COCCn1cc(C(=O)OCC(=O)C(C)=O)c(C)n1 808535321 HPPTZESTSZFFOT-UHFFFAOYSA-N 268.269 0.153 10 10 CCCE CN(Cc1ccccc1O)C(=O)NCc1cnn(C)n1 807568124 LJIQFPWGEQGOKO-UHFFFAOYSA-N 275.312 0.862 10 10 CCCE O=C(N[C@H]1C[C@@H](C(=O)O)C1)c1cc(O)c(O)c(O)c1 2132348295 IOGGGGARLJLDFL-KNVOCYPGSA-N 267.237 0.396 10 10 CCCE CN(Cc1ncon1)C(=O)c1cc(O)c(O)c(O)c1 2132402216 XVAFYAOGMCIIBU-UHFFFAOYSA-N 265.225 0.459 10 10 CCCE C[C@H]1C[C@@H](N)CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2132409153 CFBGNXZWTWYNMG-IONNQARKSA-N 266.297 0.613 10 10 CCCE CN1CCC[C@@](O)(CC(=O)NCc2ccc(O)c(O)c2)C1 901130546 CVQKXXRXVJCWHY-OAHLLOKOSA-N 294.351 0.561 10 10 CCCE COc1c([N+](=O)[O-])ccc(CN[C@H]2C[C@@H](C(N)=O)C2)c1O 846046612 KFSIKEVWMGAMEJ-DTORHVGOSA-N 295.295 0.663 10 10 CCCE CN1CCN(c2ccc(CO)cc2Cl)[C@H](CO)C1 699545355 ZCCSVTVFZKXABF-NSHDSACASA-N 270.760 0.945 10 10 CCCE Cc1nc(CNC(=O)c2c(F)ccc(O)c2O)no1 789978428 LCMNRTLIABPQJT-UHFFFAOYSA-N 267.216 0.858 10 10 CCCE CN[C@@H]1CCSC[C@H]1NC(=O)c1cc(O)nc(O)c1 1896243687 RHNWKFZKXNVBIF-RKDXNWHRSA-N 283.353 0.316 10 10 CCCE 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CN[C@H]1CN(C(=O)c2ccc(O)c(O)c2)CC12CC2 2140917604 KUSWYPDFKKTKNQ-LBPRGKRZSA-N 262.309 0.922 10 10 CCCE Oc1ccc(CN[C@@H]2COC3(CCC3)[C@H]2O)cc1O 2141555557 KBWODQTWDYLXJJ-MFKMUULPSA-N 265.309 0.870 10 10 CCCE COc1cc(N)ccc1N1C(=O)[C@H](C)O[C@@H](C)C1=O 2142332254 HQXQPHXPNVJSMS-YUMQZZPRSA-N 264.281 0.944 10 10 CCCE CCOC(=O)[C@H](N)[C@H](OC)c1ccc(O)c(O)c1 1952307204 WTFXZKQIVPKLRT-GHMZBOCLSA-N 255.270 0.676 10 10 CCCE COC(=O)[C@@H]1CCN[C@H]1c1cc(O)c(O)c(O)c1 1952825264 HVGYJOSLHBSUCA-XCBNKYQSSA-N 253.254 0.627 10 10 CCCE CCCNCc1ccc(N2CCOC[C@@H]2C(N)=O)cc1 159006256 XYFHBZATSRXIRC-CQSZACIVSA-N 277.368 0.877 10 10 CCCE CN1CCCN(c2ccc3c(c2)NC(=O)[C@@H]3N)CC1 36194316 JTDJCFRPIMCCDS-CYBMUJFWSA-N 260.341 0.780 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1C[C@@H]2CCC[C@]2(CO)C1 2159402162 UBYDQSWCTLNWCX-IINYFYTJSA-N 278.308 0.727 10 10 CCCE CN(CCN=[N+]=[N-])C(=O)C1[C@H]2CS(=O)(=O)C[C@H]12 2006134553 KNWNQYVFSURWNL-BQBZGAKWSA-N 258.303 0.046 10 10 CCCE COC(=O)c1cccc(N)c1N[C@@H]1CN(C)C[C@@H]1OC 2151776956 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COC[C@@](C)(CC(=O)O)NC(=O)c1cccc(O)c1O 2157952857 ZWYVKRVEWZZSAK-CYBMUJFWSA-N 283.280 0.707 10 10 CCCE C[C@H]1CN[C@H](C(=O)NCc2ccc(N(C)C)cc2)CN1 2160469264 FGRCQZGOHYFXOZ-FZMZJTMJSA-N 276.384 0.319 10 10 CCCE CC(C)[C@@H](NC(N)=O)C(=O)N1CCC[C@H](N=[N+]=[N-])C1 701263645 HXBPBQBATZIMNT-DTWKUNHWSA-N 268.321 0.981 10 10 CCCE C[C@@H]1CS(=O)(=O)C[C@H]1NCc1cc2c(cc1O)OCO2 711711043 DJJQTZWWULLVQU-PSASIEDQSA-N 299.348 0.644 10 10 CCCE COC[C@@](C)(N)C(=O)NCc1ccc(N(C)C)cc1 382359515 MTNVNFHMHYJMIT-CQSZACIVSA-N 265.357 0.733 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C3COCC2COC3)cc1 399783192 VMVTWFBPNNWNGU-UHFFFAOYSA-N 298.364 0.198 10 10 CCCE CC[C@@H]1CN(C(=O)c2cnn3c(O)cc(C)nc23)C[C@H]1O 2064081770 PFQIWILQCQAGKI-MWLCHTKSSA-N 290.323 0.586 10 10 CCCE Nc1ccc(CN2CC[C@H](C(=O)O)[C@@H](C(=O)O)C2)cc1 2197570076 YDCATUNKNHRZPX-RYUDHWBXSA-N 278.308 0.876 10 10 CCCE CC1(C)CN(c2ccc(CO)c([N+](=O)[O-])c2)CC(=O)N1 2188574563 BFVILPNGFHYBGN-UHFFFAOYSA-N 279.296 0.802 10 10 CCCE C[C@@H](Cn1cccn1)NC(=O)c1cc(O)c(O)c(O)c1 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COC(=O)C[C@@H](N)c1cc(S(C)(=O)=O)ccc1O 260280710 AMLXWKAHPTUEQK-SECBINFHSA-N 273.310 0.359 10 10 CCCE N=c1cc[nH]cc1C(=O)NCCc1ccc(O)c(O)c1 2148002665 CSDJXXQXVKIUOG-UHFFFAOYSA-N 273.292 0.878 10 10 CCCE C[C@](O)([C@H]1CCCS(=O)(=O)C1)[C@H](N)c1ccccc1O 2148153457 PEHFREHTBUOFHR-GDLCADMTSA-N 299.392 0.968 10 10 CCCE O=S1(=O)CC[C@H](CNCc2cc3c(cc2O)OCO3)C1 42880314 YPEIZYZPCZOQBS-SECBINFHSA-N 299.348 0.645 10 10 CCCE [N-]=[N+]=NCC1(CNS(=O)(=O)c2cn[nH]c2)CC1 2006019585 YCTKGVVWNMMTDT-UHFFFAOYSA-N 256.291 0.779 10 10 CCCE CN(CCC(=O)Nc1ccc(N)cc1)C1CS(=O)(=O)C1 2152229890 KMAUQMYLMVZSHS-UHFFFAOYSA-N 297.380 0.326 10 10 CCCE CC(C)CN(CC(N)=O)CC(=O)c1ccc(O)c(O)c1 50146122 PVLIPRJCRYAOPV-UHFFFAOYSA-N 280.324 0.724 10 10 CCCE COC(=O)[C@@H](NCCCO)c1cc(F)ccc1O 2028434149 ZDHPFGYHDHQEBX-NSHDSACASA-N 257.261 0.717 10 10 CCCE C[C@H]1CC(=O)CN(C(=O)c2cc(O)nc(O)c2)C1 2031845970 DZSSMFWAYUVFDT-ZETCQYMHSA-N 250.254 0.544 10 10 CCCE C[C@@H]1CN(CC(=O)c2ccc(O)c(O)c2)C[C@H](CO)O1 299952936 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COc1ccc(N(C)C[C@@H](O)CN(C)C)c(N)c1 690232548 JOPDIVZSWOPLAO-JTQLQIEISA-N 253.346 0.636 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N3C[C@H]4C[C@@H](O)[C@H]3C4)ccc21 2177159778 PAYJOZRGFPXWKE-HKSFMPNISA-N 273.336 0.859 10 10 CCCE CN1CCc2cc([C@H](N)[C@@H]3CN4CCN3CC4)ccc21 2163067987 CLVMHOIDSJMQPK-HOTGVXAUSA-N 272.396 0.679 10 10 CCCE CN(C)C1CN(c2cc3c(cc2N)OCC(=O)N3)C1 382545562 DWFNPPWDXLQSOT-UHFFFAOYSA-N 262.313 0.350 10 10 CCCE C[C@H](NCC1(CO)COC1)c1ccc(O)cc1O 717573191 DCTRTERMEVWAOH-VIFPVBQESA-N 253.298 0.757 10 10 CCCE Nc1cc2c(cc1N1[C@H]3CC[C@H]1C(=O)NC3)OCCO2 2172389891 LUGSRVIZYFJTJF-WPRPVWTQSA-N 275.308 0.507 10 10 CCCE CO[C@@H]1CS(=O)(=O)C[C@H]1N(C)c1ccc(CO)c(C)c1 696819841 AJWZCKGUYMEVJN-ZIAGYGMSSA-N 299.392 0.736 10 10 CCCE C[C@@H](NC(=O)CCc1ccc(N)cc1)[C@H](O)CO 698972233 VIPYWSNPJWLEOU-BXKDBHETSA-N 252.314 0.059 10 10 CCCE NC(=O)N1CC[C@H](Nc2c(N)cccc2C(=O)O)C1 393308999 HEIBMEINJDUPOX-ZETCQYMHSA-N 264.285 0.532 10 10 CCCE C[C@@H](C(=O)Nc1ccc(N)cc1)N1CCOC[C@H](O)C1 399836995 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288.336 0.895 10 10 CCCE CN(Cc1ccc(N)cc1)S(=O)(=O)c1nn(C)cc1N 2191769289 NMPVQWKLMJVFDP-UHFFFAOYSA-N 295.368 0.405 10 10 CCCE C[C@@]1(N)CCN(S(=O)(=O)CCOc2ccc(N)cc2)C1 2191777393 XUCONWXUWLREEZ-CYBMUJFWSA-N 299.396 0.401 10 10 CCCE Nc1cc2c(cc1N1CCO[C@@H]3CNC[C@H]31)OCCO2 2191894016 KMTISMVWRREYRP-BXUZGUMPSA-N 277.324 0.217 10 10 CCCE CO[C@H]1C[C@@](CO)(NC(=O)COc2ccc(N)cc2)C1 2198589081 FWXQEBLKXBMOMG-XBXGTLAGSA-N 280.324 0.304 10 10 CCCE Nc1cccc(C(=O)O)c1N[C@@H]1CO[C@@H]2COC[C@@H]12 2101868042 JRWBIQXIMQNZNC-JMJZKYOTSA-N 264.281 0.793 10 10 CCCE CNCc1ccc(N(C)CC(=O)NC)cc1OC 2084017525 RFHJUOHSNGZXGO-UHFFFAOYSA-N 251.330 0.597 10 10 CCCE COc1ccc(N2CCOC[C@]2(CN)CO)c(F)c1 2106390896 VIVQAOFQJMKBGE-ZDUSSCGKSA-N 270.304 0.361 10 10 CCCE CCN1CCc2cc([C@H](NN)c3nc[nH]n3)ccc21 2106852188 CDKAHHBBNQTKAR-LBPRGKRZSA-N 258.329 0.740 10 10 CCCE C[C@@H]1CNC[C@H]1C(=O)NCCc1ccc(O)c(O)c1 2091748446 QUYRTKRYYGSCMJ-MWLCHTKSSA-N 264.325 0.612 10 10 CCCE CO[C@H](CCO)CNC(=O)CCc1ccc(N)cc1 2112207441 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N[C@H](Cc1ccc(O)c(O)c1)C(=O)OCCOC(F)F 2279801971 DNSORPDHHRDVOA-MRVPVSSYSA-N 291.250 0.750 10 10 CCCE COc1cc(OC)c(N2CC[C@@H]2[C@@H](O)CO)c(OC)c1 2287071369 TWLJVADNTQSUTQ-MNOVXSKESA-N 283.324 0.644 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)[C@@H]2C[C@@H]3CC[C@H](C2)N3)C1 2310350576 FECKVOWFGWVGTB-SOEHQHRVSA-N 250.342 0.783 10 10 CCCE CN(Nc1nc(C(=O)O)cs1)S(=O)(=O)C1CCC1 2317451996 WMQWVMHJBHOMIM-UHFFFAOYSA-N 291.354 0.982 10 10 CCCE CN(C(=O)c1cccc(O)c1O)[C@H]1CNC[C@H]1F 2320522877 GYESNCSPGKUIIV-BDAKNGLRSA-N 254.261 0.480 10 10 CCCE [N-]=[N+]=NCCCNC1(C(N)=O)C[C@H]2CNC[C@@H](C2)C1 2339982512 HUIGYRNWIVCDSC-UWVGGRQHSA-N 266.349 0.520 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3[C@H]4CC[C@H](C4)[C@H]3CO)ccc21 2355770860 UJNGRNHAZBJBFZ-HZZFPTLFSA-N 273.336 0.988 10 10 CCCE C[C@H]1C[C@@H](N)CN(C(=O)c2cccc(O)c2O)C1 126710959 UJNQQOYTSGOWOX-DTWKUNHWSA-N 250.298 0.907 10 10 CCCE CC(=O)c1ccc(O)c(CN2C[C@@H](O)[C@@H](CO)C2)c1 317203312 JVKYMEYJSRMRIK-TZMCWYRMSA-N 265.309 0.380 10 10 CCCE 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CC[C@@H](N)c1ccc(N2CCOC[C@H]2[C@@H](O)CO)cc1 2146329172 LZZHRURKUUCMSO-ILXRZTDVSA-N 280.368 0.655 10 10 CCCE [N-]=[N+]=N[C@H]1CCCN(S(=O)(=O)C2COC2)CC1 1949762601 QMXYXYVTMWOLLY-QMMMGPOBSA-N 260.319 0.880 10 10 CCCE Cn1nc([C@H](N)Cc2ccc(O)c(O)c2)cc1C(=O)O 1951995250 ZJHVFHIHDNTZDF-MRVPVSSYSA-N 277.280 0.772 10 10 CCCE CN1CCN[C@H](c2c(O)cccc2[N+](=O)[O-])C1=O 1952655083 CHMJIJVFNDQEAS-SNVBAGLBSA-N 251.242 0.403 10 10 CCCE O=[N+]([O-])c1ccc(O)c([C@H]2CS(=O)(=O)CCN2)c1 1952601015 MPTOSTBVUUEHFO-SECBINFHSA-N 272.282 0.360 10 10 CCCE C[C@@H]1C[C@@H](O)CN(C(=O)Cc2ccc(O)c(O)c2)C1 1953124823 KLZXDMFJQFAXKG-MWLCHTKSSA-N 265.309 0.870 10 10 CCCE C[C@H]1C[C@@H](N)CCN1C(=O)Cc1ccc(O)c(O)c1 1970905425 ZLAUKIVZWVATND-ONGXEEELSA-N 264.325 0.979 10 10 CCCE CCNCc1ccc(N2CC[C@H](OCC(N)=O)C2)cc1 2145374925 IRLDPLJSASTUHL-AWEZNQCLSA-N 277.368 0.877 10 10 CCCE Cn1cnnc1CNC(=O)CCOc1ccc(N)cc1 40335591 DQSBTMKGDFAWDY-UHFFFAOYSA-N 275.312 0.483 10 10 CCCE Nc1cc2c(cc1N1CCS(=O)CC1)CCC(=O)N2 49692535 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NCc1cc(F)c(N2CCN3CCOC[C@H]3C2)c(F)c1 2185888950 YWGJAWDFGWOOTM-LLVKDONJSA-N 283.322 0.944 10 10 CCCE COCc1nnc(Cn2ccc3c(c2=O)CNCC3)s1 2186552019 VLSPLFNREGWIFQ-UHFFFAOYSA-N 292.364 0.540 10 10 CCCE C[C@H]1COC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2068579997 ZZGWCHQAEMVJEW-POYBYMJQSA-N 253.254 0.568 10 10 CCCE Nc1ccc(NC(=O)N2CCNC[C@@H](O)C2)cc1 2071559093 WCDJALOCISCRAY-LLVKDONJSA-N 250.302 0.067 10 10 CCCE CCC[C@@H](CN)NS(=O)(=O)Cc1ccc(N)cc1 2071663181 AZZIPBAULICQAG-LBPRGKRZSA-N 271.386 0.816 10 10 CCCE CN(Cc1ncno1)c1ccc2c(c1)NC(=O)[C@@H]2O 2104124140 QWVSCUQUEYVXII-LLVKDONJSA-N 260.253 0.692 10 10 CCCE O=C(N[C@@H]1CNCC12CCC2)c1cccc(O)c1O 2089117031 QVQUIUVFKVCYMR-LLVKDONJSA-N 262.309 0.970 10 10 CCCE C[C@H](NCCN1CCNC1=O)c1cc(O)ccc1O 2090616250 CLJKWFUBJDZCSG-VIFPVBQESA-N 265.313 0.774 10 10 CCCE O=C1Nc2cc(N3C[C@H](O)[C@H](F)C3)c(F)cc2[C@@H]1O 2092769238 ZWOAFPPORWEZIP-GGVZMXCHSA-N 270.235 0.330 10 10 CCCE N[C@H]1CCC[C@@H](NC(=O)c2cc(O)nc(O)c2)CC1 2095747329 FRAHIYOBKKNDEW-VHSXEESVSA-N 265.313 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O=C(c1cccc(O)c1O)N1C[C@H]2C[C@]1(C(=O)O)C2 1877384548 BPBPTUJGBWMPEF-PPRHIFSWSA-N 263.249 0.787 10 10 CCCE CN[C@@]1(C(=O)N[C@H](C)c2ccccc2O)CCOC1 1877578739 OZIQBGSCVVJGJJ-YGRLFVJLSA-N 264.325 0.948 10 10 CCCE CN(Cc1ccccc1O)S(=O)(=O)CC1(CN)CC1 1877522762 IHNXXQULLRZSBY-UHFFFAOYSA-N 284.381 0.893 10 10 CCCE O=C(O)[C@@H](c1ccc(O)c(O)c1)N1C(=O)CCC1=O 83480459 BNHZCSRAIBKOJI-LLVKDONJSA-N 265.221 0.373 10 10 CCCE CO[C@@H](CNC(=O)OC(C)(C)C)[C@@H](O)C(=O)C(C)=O 1893586947 NKHDIAZERIWPJE-WCBMZHEXSA-N 275.301 0.045 10 10 CCCE CCn1cc([C@@](C)(NCCN=[N+]=[N-])C(=O)OC)nn1 714985627 JPNOEEKFIHHUJX-SNVBAGLBSA-N 267.293 0.586 10 10 CCCE O=C(O)CCN(CC1CC1)C(=O)c1cc(O)nc(O)c1 717174717 PCIDIRBMJUWGNG-UHFFFAOYSA-N 280.280 0.820 10 10 CCCE NCc1cc(F)c(N2CCN3C(=O)NC[C@@H]3C2)c(F)c1 91754423 ZCWNKGYSRODBQV-SECBINFHSA-N 282.294 0.637 10 10 CCCE O=C(c1cccc(O)c1O)N1CC(F)(F)C[C@@H]1CO 781329323 DHBKORPAMQGGBE-SSDOTTSWSA-N 273.235 0.940 10 10 CCCE CNCc1ccc(N2CC(=O)NC(=O)[C@H]2C)c(C)c1 97295564 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COCCN1C[C@@H](O)[C@H](Sc2nccs2)C1 1939831987 SHTJWKXUKUCLEV-RKDXNWHRSA-N 260.384 0.927 10 10 CCCE CCO[C@@H]1CN(C(=O)c2ccc(O)c(O)c2)CC[C@@H]1N 2146767005 DLKWUUUDDXMYPT-GXFFZTMASA-N 280.324 0.676 10 10 CCCE N[C@@H]1[C@@H]2CCCO[C@H]2[C@@H]1NC(=O)c1cccc(O)c1O 253091714 JXNDIGWUZPZIOO-CTLRHGHPSA-N 278.308 0.332 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1[C@@H]2CCCCN[C@H]21 1973334844 DTEYARSLNCPGGM-VCTAVGKDSA-N 276.336 0.897 10 10 CCCE Oc1ccc(CCNc2cncc3nnnn23)cc1O 2148015091 GIUVRKKPKFQPOA-UHFFFAOYSA-N 272.268 0.585 10 10 CCCE Cc1cc(CO)ccc1N1CCC[C@H](OCC(N)=O)C1 2145383634 VQCYEJXMENCNHB-ZDUSSCGKSA-N 278.352 0.958 10 10 CCCE CN(CCC(=O)Nc1ccc(N)cc1)CC(CO)CO 2150413927 ASDMXKKZJGNOIH-UHFFFAOYSA-N 281.356 0.130 10 10 CCCE Nc1ccc(OCC(=O)NCC(=O)NC2CC2)cc1 40304342 RMKKNIFTIIRRJN-UHFFFAOYSA-N 263.297 0.042 10 10 CCCE Oc1ccc(CCNC2COCCOC2)cc1O 2031069553 HGSCTJFBIIXXRF-UHFFFAOYSA-N 253.298 0.645 10 10 CCCE [N-]=[N+]=NCCCN[C@H](C(N)=O)[C@H]1C[C@@]12CCOC2 2039093609 YPXPICSNZBUECH-WCABBAIRSA-N 253.306 0.557 10 10 CCCE CCN(Cc1ccc(N)cc1)C(=O)NCC(=O)O 2039299912 HHMUHHLYVZQOOK-UHFFFAOYSA-N 251.286 0.885 10 10 CCCE Cc1ccc(O)c(CN2CCC[C@@](O)(CN)C2)c1 2039805009 XTWICUSMYFQTFZ-CQSZACIVSA-N 250.342 0.986 10 10 CCCE N[C@@H]1CN(Cc2ccc(O)cc2O)[C@H]2COC[C@H]12 2040556319 XWLDCMCFWPNBNJ-UTUOFQBUSA-N 250.298 0.256 10 10 CCCE CC(=O)NCCN(C)c1cc2c(cc1N)OCC(=O)N2 308124909 ABGVUEAVWBUDNE-UHFFFAOYSA-N 278.312 0.172 10 10 CCCE CC[C@@H](COC)NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 79747742 OXBMJORPRQWYCL-QWRGUYRKSA-N 282.340 0.509 10 10 CCCE O=C1NC[C@@]2(CCN(Cc3ccc(F)c(F)c3O)C2)N1 2177681077 SXTCNPJMNJQYMP-CYBMUJFWSA-N 283.278 0.928 10 10 CCCE Nc1ccc(CCC(=O)N2[C@H]3CC[C@H]2C(=O)NC3)cc1 2172388771 HMNUWMBLLVIGJI-STQMWFEESA-N 273.336 0.691 10 10 CCCE Nc1ccc(NC(=O)CN2CCCN(C=O)CC2)cc1 2162923601 YOBWXTANYNPLAZ-UHFFFAOYSA-N 276.340 0.371 10 10 CCCE CN1CCc2cc([C@@H](C[C@@H]3COCCO3)NN)ccc21 2163136317 RWEXPHGICKNMGO-ZIAGYGMSSA-N 277.368 0.989 10 10 CCCE CN(C)C(=O)CCCNC(=O)COc1ccc(N)cc1 390325917 GPVPFNUAMJRENF-UHFFFAOYSA-N 279.340 0.632 10 10 CCCE O=C(N[C@H]1C=CC[C@H](C(=O)O)C1)c1cc(O)nc(O)c1 714210119 DTGWRJUSVITSQC-CBAPKCEASA-N 278.264 0.642 10 10 CCCE COc1cccc(CNCC2(CO)COC2)c1O 717573668 GWOHYBBPWUMAFK-UHFFFAOYSA-N 253.298 0.499 10 10 CCCE Oc1cccc(-c2nc(Cn3cncn3)no2)c1O 396105642 NTOPQPSOSCTXAM-UHFFFAOYSA-N 259.225 0.788 10 10 CCCE CNC(=O)[C@H]1CCN(C(=O)CCc2ccc(N)cc2)C1 398455965 AZXZJZCVTGSMQV-LBPRGKRZSA-N 275.352 0.796 10 10 CCCE CN(CC[S@](C)=O)C(=O)Cc1ccc(N)cc1 398985312 LOOPOSUZJDLSBG-KRWDZBQOSA-N 254.355 0.648 10 10 CCCE CNC(=O)CC[S@](=O)[C@H](C)C(=O)Nc1ccc(N)cc1 399296397 NUJIZEIDQGVREX-YBYGRFCBSA-N 297.380 0.481 10 10 CCCE NC(=O)[C@H]1CCCC[C@H]1NCc1ccc(O)c(O)c1O 2174105890 DKUILTJHPOPAGV-VHSXEESVSA-N 280.324 0.937 10 10 CCCE Oc1ccc(CN[C@H]2CO[C@]3(CCOC3)C2)c(O)c1O 2178984252 YLDMIMNYGGLMSR-QMTHXVAHSA-N 281.308 0.841 10 10 CCCE CS(=O)(=O)c1cnn(-c2ccc(O)c(O)c2)c1O 2070092568 ZXWGWXFYARXXRM-UHFFFAOYSA-N 270.266 0.393 10 10 CCCE CN(C)C(=O)C1CN(c2ccc(CO)cc2[N+](=O)[O-])C1 2177535074 CDOZSKIIUZDJMP-UHFFFAOYSA-N 279.296 0.612 10 10 CCCE C[C@@H]1CC(=O)NCCN1C(=O)c1cc(O)c(O)c(O)c1 2188876299 ZPMMDZYCWKLQMN-SSDOTTSWSA-N 280.280 0.154 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CNC[C@@H]1C(F)F 2193248165 XJHVZOXKBUTMDI-DTWKUNHWSA-N 286.278 0.610 10 10 CCCE O=C1NC[C@H]2CN(c3ccc4c(c3)CC[C@H]4O)CCN12 2184741584 LPOVEAFJYSGANU-GXTWGEPZSA-N 273.336 0.880 10 10 CCCE COCCNC(=O)CNCc1c(C)cccc1O 2042625574 BBONNHLNIJZMAN-UHFFFAOYSA-N 252.314 0.553 10 10 CCCE CCOC(=O)[C@](C)(NCCCN=[N+]=[N-])[C@@H]1CCN1 2045133372 RCCYJOJEQJVJKJ-GXSJLCMTSA-N 255.322 0.960 10 10 CCCE Nc1ccc(NC(=O)N[C@@H]2C[C@@H](O)C[C@@H]2O)cc1 2046482163 FYEBWGUVSXNYPV-MXWKQRLJSA-N 251.286 0.275 10 10 CCCE CC(C)[C@H]1C[C@]1(NC(=O)c1cc(O)nc(O)c1)C(=O)O 2198387452 BRPSOTCJQWXJEK-AMIZOPFISA-N 280.280 0.722 10 10 CCCE C[C@H](N)c1cc(F)c(N2CC(OCC(N)=O)C2)c(F)c1 2194707959 HNKQWYMAQWXNIB-ZETCQYMHSA-N 285.294 0.675 10 10 CCCE [N-]=[N+]=NCC1(CNC(=O)CN2CSCC2=O)CC1 2054024718 AUZZTEPXPCWJML-UHFFFAOYSA-N 269.330 0.726 10 10 CCCE [N-]=[N+]=NCCN[C@]1(C(=O)O)C[C@H]2[C@@H]1[C@H]1CC[C@H]2O1 2068376762 KFDWAZXUFAANQY-UEWQFTGXSA-N 252.274 0.907 10 10 CCCE C[C@@H](O)c1cc(F)c(N2C[C@H](O)[C@H](O)C2)c(F)c1 2074083397 RUURLFPKODMEIG-PFZYVWIYSA-N 259.252 0.560 10 10 CCCE CC1(C)OC[C@H](NC(=O)c2cc(O)c(O)c(O)c2)[C@H]1N 2199458215 RMMRWLLFHJORFA-WRWORJQWSA-N 282.296 0.038 10 10 CCCE C[C@H](c1c(O)cccc1O)N1CC[C@@](CO)(C(=O)O)C1 2201088898 RTTPXSDBANADCE-YMTOWFKASA-N 281.308 0.928 10 10 CCCE C[C@@H]1C[C@H](CO)CN1CC(=O)c1ccc(O)c(O)c1 2100329375 BEGJWBGQJROSGS-ZJUUUORDSA-N 265.309 0.983 10 10 CCCE C[C@@H](c1ccc(O)cc1O)N1CCC[C@@](O)(CN)C1 2101320963 BZYWOTGMZPHLKQ-IINYFYTJSA-N 266.341 0.944 10 10 CCCE O=C(O)c1cc(=O)nc(C2=S=Nc3ccccc32)[nH]1 2103700819 BMLFXRXCXDPHQW-UHFFFAOYSA-N 273.273 0.948 10 10 CCCE NCCC(CCN)Nc1c(N)cccc1C(=O)O 2084904111 XJUTYCDGKRAPJX-UHFFFAOYSA-N 252.318 0.445 10 10 CCCE Nc1ccc(CCNC(=O)N2CCC[C@@H]2CO)cc1 2108428575 OQIBSUUTBUSXRM-CYBMUJFWSA-N 263.341 0.978 10 10 CCCE COc1cc([C@@H](NCCCN=[N+]=[N-])C(N)=O)ccn1 2110730515 KMQPHZDSMZVHNM-SNVBAGLBSA-N 264.289 0.907 10 10 CCCE O=C1Nc2cc(N3C[C@H](O)[C@@H](F)C3)c(F)cc2[C@H]1O 2092769237 ZWOAFPPORWEZIP-BKDNQFJXSA-N 270.235 0.330 10 10 CCCE O=C1N[C@@H]2CN(Cc3cc(F)cc(F)c3O)C[C@H]2O1 2120407900 WKULDMHJBPEHHW-NXEZZACHSA-N 270.235 0.963 10 10 CCCE C[C@](O)(CO)[C@H]1CCN(C(=O)c2cccc(O)c2O)C1 2202842850 JWHZPVXOSXVCJJ-XPTSAGLGSA-N 281.308 0.303 10 10 CCCE COc1cc(N(C)C[C@@H]2CN(C)CCO2)ccc1CO 2204543501 ODMPYZHOANZVRE-AWEZNQCLSA-N 280.368 0.954 10 10 CCCE COCC[C@@H](N)CNC(=O)Cc1ccc(N)cc1 2218571197 ZSMYECCIVADBAC-GFCCVEGCSA-N 251.330 0.291 10 10 CCCE COc1ccc(N(CCO)C2COC2)c(CN)c1 2220417605 PHYBLRRYYVTSCT-UHFFFAOYSA-N 252.314 0.351 10 10 CCCE OC[C@@H](O)[C@@H]1COCCN1c1ccc2c(c1)OCCO2 2235112808 KCPZKAVTTCSRAY-NWDGAFQWSA-N 281.308 0.016 10 10 CCCE CCn1nncc1S(=O)(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-] 2225799571 LEXFCSSLZGFBDD-YUMQZZPRSA-N 285.333 0.808 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H](O)C[C@H](F)C1 2226289351 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CC(C)CNS(=O)(=O)NCc1ccccc1O 128817264 NILIAIYXJWABHE-UHFFFAOYSA-N 258.343 0.972 10 10 CCCE N[C@H](CCO)c1nc(-c2ccc(O)c(O)c2)no1 236306727 UROQNFPROZZPNE-SSDOTTSWSA-N 251.242 0.530 10 10 CCCE CC1(C)C[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)CN1 2132413294 LQAXZUBEIOKCPY-MRVPVSSYSA-N 266.297 0.674 10 10 CCCE CC[C@H](CC(N)=S)NC(=O)c1cc(O)c(O)c(O)c1 2132401063 RFHKNQAPOJWOGS-SSDOTTSWSA-N 284.337 0.988 10 10 CCCE N[C@H](CCNC(=O)c1cc(O)c(O)c(O)c1)C1CC1 2132418256 IIQHCZGJELHPGY-SECBINFHSA-N 266.297 0.661 10 10 CCCE COc1cccc([S@@](=O)CC(=O)OCC(=O)C(C)=O)c1 821352469 KFUCNZQHMXZVBT-FQEVSTJZSA-N 298.316 0.504 10 10 CCCE Cn1ncc(C(=O)O)c1NC(=O)c1ccc(O)c(O)c1 687696714 VMXLAWHDJBUKEY-UHFFFAOYSA-N 277.236 0.782 10 10 CCCE CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCNC1=O 852411374 SQOFMDOQMKCTRO-ZDUSSCGKSA-N 290.367 0.783 10 10 CCCE Cc1ccc(O)c(CNCCCS(N)(=O)=O)c1 71408730 HQGFHPUBNJRZKY-UHFFFAOYSA-N 258.343 0.469 10 10 CCCE C[C@H](NC(=O)COc1ccc(N)cc1)[C@@H]1CCNC1 1876448123 AIILDJLMXQCABV-WDEREUQCSA-N 263.341 0.762 10 10 CCCE CCN[C@H]1CCN(S(=O)(=O)Cc2ccc(N)cc2)C1 1876529378 NTUIGNUBHGSQGA-ZDUSSCGKSA-N 283.397 0.782 10 10 CCCE Nc1ccc(CC(=O)N[C@H]2[C@H]3OCC[C@H]3[C@H]2N)cc1 1876508800 HNAFYSSCSKHJBP-ASEORRQLSA-N 261.325 0.042 10 10 CCCE OCC1(CO)CCN(Cc2cc(F)cc(F)c2O)C1 895312908 WOVCVSJZZKMNIK-UHFFFAOYSA-N 273.279 0.847 10 10 CCCE O=C(c1cccc(O)c1O)N1C[C@@H](CO)C[C@H](CO)C1 1963554029 CLXWXNSHHVLXBN-UWVGGRQHSA-N 281.308 0.161 10 10 CCCE COCCNC(=O)[C@H](N)c1cc(Cl)ccc1O 83431011 QFMARRMMHBKKBJ-SNVBAGLBSA-N 258.705 0.808 10 10 CCCE CN(CC(=O)N(C)c1ccc(N)cc1)C[C@@H](O)C1CC1 690273088 CVZCEDMJEUYTJZ-CQSZACIVSA-N 277.368 0.934 10 10 CCCE Cc1n[nH]c(C)c1CNC(=O)c1cc(O)nc(O)c1 718273428 YSFRMTSKOYXQFM-UHFFFAOYSA-N 262.269 0.763 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@H]1CC[C@H](CN)O1 94569024 KQNDJDOIZWUYOX-DGCLKSJQSA-N 264.325 0.857 10 10 CCCE C[C@H](N)c1ccc(N2CC(=O)NC(=O)[C@@H]2C)c(F)c1 97292479 PKSHBXRPSLLCMW-YUMQZZPRSA-N 265.288 0.697 10 10 CCCE CC(=O)c1cn(CC(=O)NCc2c(O)cccc2F)nn1 1456028388 HQRWGUROCLIVPK-UHFFFAOYSA-N 292.270 0.642 10 10 CCCE CC(=O)N1C[C@H](c2ccc(O)c(O)c2)[C@H](CN)C1 1614807562 OWVQKSPAVNTQFV-GHMZBOCLSA-N 250.298 0.618 10 10 CCCE O=C(NCc1c(O)cccc1O)c1cc(CO)on1 1472063170 DUFZTGUWTMIYLQ-UHFFFAOYSA-N 264.237 0.508 10 10 CCCE C[C@H](c1cc(O)ccc1O)N1CC[C@@H](CO)[C@@H](N)C1 2122333564 FUQXXSDAJRSXNG-NRUUGDAUSA-N 266.341 0.800 10 10 CCCE CN(C[C@H](O)CCN)c1ccc2c(c1)OCCCO2 259310674 VCRMYEWPOYUBQA-GFCCVEGCSA-N 266.341 0.994 10 10 CCCE COc1ccc(CNC(=O)c2cnc(O)n2C)c(O)c1 1635041698 BMRDLIBYFYYKSZ-UHFFFAOYSA-N 277.280 0.770 10 10 CCCE CC1(C)OC[C@@H](NC(=O)Cc2ccc(N)cc2)[C@H]1O 1910984474 FZXWIFOBROMVNT-DGCLKSJQSA-N 264.325 0.466 10 10 CCCE O=C(O)[C@H]1CN(Cc2ccc(F)cc2O)CCO1 1964719209 KPUCRUWLCLPRIJ-LLVKDONJSA-N 255.245 0.817 10 10 CCCE CN1C[C@H](N(C)C(=O)c2cccc(O)c2O)CC1=O 2131949204 DSYFYSWKQUXYRJ-MRVPVSSYSA-N 264.281 0.401 10 10 CCCE COC(=O)[C@@](C)(NCCCN=[N+]=[N-])[C@@H]1CCCN1 1912188715 QNEIRPWAXJBRBQ-ONGXEEELSA-N 255.322 0.960 10 10 CCCE O=C(NCC[C@@H]1CCC[C@@H]1O)c1cc(O)nc(O)c1 1913759070 WFVRIEBEFRQERZ-WPRPVWTQSA-N 266.297 0.774 10 10 CCCE Nc1ccc(OC[C@H](O)CN(CCO)C2CCC2)cc1 228335105 KAODQBITLHMMMS-CQSZACIVSA-N 280.368 0.855 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)[C@@]1(F)CCCNC1 1968739073 KGMAYSPHGKYKNH-CQSZACIVSA-N 282.315 0.848 10 10 CCCE CC1(C)CN[C@H]1C(=O)NCCc1ccc(O)c(O)c1 1968739693 VIQUTFNLMSXUSL-LBPRGKRZSA-N 264.325 0.755 10 10 CCCE CC1(C)OC[C@H](N)[C@H]1NCCc1ccc(O)c(O)c1 2137014606 ZBPGVSCRBQFBAA-GXFFZTMASA-N 266.341 0.735 10 10 CCCE C[C@H]1CCCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1C(=O)O 235617456 BSEIWPBLNVBRCQ-CPCISQLKSA-N 280.280 0.818 10 10 CCCE CCOC(=O)[C@H](N)CC1(c2cc(O)nc(O)c2)CC1 1952638554 KYLDIOBULHTQGL-SECBINFHSA-N 266.297 0.805 10 10 CCCE CN=c1nc(Cl)[nH]c(=NCCc2ccc(O)c(O)c2)[nH]1 2148004471 OPQRVXGQKDXVQL-UHFFFAOYSA-N 295.730 0.476 10 10 CCCE COC(=O)C[C@@H](N)c1c(O)c(F)cc2c1OCCO2 260644988 KEXHKUWPHHDZEF-SSDOTTSWSA-N 271.244 0.865 10 10 CCCE CN(C)[C@H]1CN(C(=O)CCc2ccc(N)cc2)C[C@H]1O 2146156100 PZJGQXWJEPHFHF-UONOGXRCSA-N 277.368 0.335 10 10 CCCE Nc1ccc(CC(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1 38083746 LTOYHKQZOHIOJQ-NSHDSACASA-N 282.365 0.362 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1[C@H](CO)C[C@H]2OCC[C@H]21 2146642216 PUDBWUGMOGFXMN-OPQQBVKSSA-N 279.292 0.462 10 10 CCCE Nc1ccc(CCCN2CCOC[C@H]2[C@H](O)CO)cc1 2146761722 MRBGJCLEYPXJLO-LSDHHAIUSA-N 280.368 0.255 10 10 CCCE C[C@H]1CN(CC(=O)N(C)c2ccc(N)cc2)CC[C@@H]1O 166090599 LKYIJIHQIULRPM-FZMZJTMJSA-N 277.368 0.934 10 10 CCCE O=C1NCCC[C@@H]1CNCc1cccc(O)c1O 2027492028 LXWNATRHVIAJTK-SNVBAGLBSA-N 250.298 0.714 10 10 CCCE Nc1ccc(O)c(CN2CCS(=O)(=O)CCO2)c1 2029787800 LXDCAFMWCKKGMG-UHFFFAOYSA-N 272.326 0.136 10 10 CCCE O=C(N[C@@H]1CCNC[C@H]1F)c1cccc(O)c1O 2029909583 QVIZDXUUGNUQML-RKDXNWHRSA-N 254.261 0.528 10 10 CCCE CN1C[C@H](O)[C@@H](N2CCN(c3ccc(N)cc3)CC2)C1 2156968358 DCNLNDHHZIGNLN-GJZGRUSLSA-N 276.384 0.066 10 10 CCCE O=C(N[C@@H]1CC[C@@H]2CNC[C@H]21)c1cccc(O)c1O 311975424 PSTUCTYPPIKKKS-FBIMIBRVSA-N 262.309 0.826 10 10 CCCE COC(=O)[C@@H](CN(C)c1ccc(OC)cc1)NC(C)=O 88118415 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CN(Cc1ncnn1C)C(=O)c1cc(O)c(O)c(O)c1 2188874247 FKYMJPOOBGBOIZ-UHFFFAOYSA-N 278.268 0.204 10 10 CCCE CC(C)[C@@H]1NCC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2188912055 HJPMOEYCCLJFHC-SKDRFNHKSA-N 280.324 0.920 10 10 CCCE NC(=O)[C@H](NC(=O)COc1ccc(N)cc1)C1CC1 2096477751 FASUNCGHLGKYGN-GFCCVEGCSA-N 263.297 0.028 10 10 CCCE CC(=O)c1cnc(Sc2nc(O)n(C)c(=O)n2)s1 2041817708 PKJULRUKPOESDD-UHFFFAOYSA-N 284.322 0.691 10 10 CCCE C[C@H]1C[C@@H]1N(CCN)C(=O)c1cccc(O)c1O 2048214329 SJLOCPZGOJEVQL-WPRPVWTQSA-N 250.298 0.907 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)[C@@H]2CC(F)(F)CCN2)C1 2049780567 KWEPSJNYYSXUCM-CIUDSAMLSA-N 260.284 0.639 10 10 CCCE Nc1ccc(CC(=O)NC[C@@H]2C[C@H]3COC[C@@H]3N2)cc1 2191672575 VKJIUUGEDGNYNX-UBHSHLNASA-N 275.352 0.304 10 10 CCCE Nc1ccc(CCC(=O)NC[C@H]2C[C@H](O)[C@H](N)C2)cc1 2191654408 QNJVOUASRKORFD-BNOWGMLFSA-N 277.368 0.416 10 10 CCCE CN1CCCC12CN(c1ccc3c(c1)NC(=O)[C@@H]3N)C2 2186534809 XDXSZHIGNWFCIO-CYBMUJFWSA-N 272.352 0.923 10 10 CCCE CNCc1ccc(N2C[C@H]3C[C@H]2[C@H](O)[C@H]3O)c(Cl)c1 2104428120 ZSDVEKVIERGCSL-HYNSBDGHSA-N 282.771 0.990 10 10 CCCE NCc1cc(F)c(N2CC(NC(N)=O)C2)cc1Cl 2057249271 MRTYDABATCGJFH-UHFFFAOYSA-N 272.711 0.795 10 10 CCCE CNC(=O)CN(C)c1ccc(CO)c([N+](=O)[O-])c1 2068304446 UBGABAHYTBSONH-UHFFFAOYSA-N 253.258 0.269 10 10 CCCE C[S@](=O)(=NC(=O)Cc1ccc(N)cc1)C1CNC1 2071680375 JKDHTWIACKSVSE-GOSISDBHSA-N 267.354 0.408 10 10 CCCE COC(=O)[C@H](CN)N(C)[C@@H](C)c1ccccc1O 2072451375 WCRILKUUPCCWBT-ONGXEEELSA-N 252.314 0.885 10 10 CCCE C[C@@]1(O)CN(Cc2cc(N)ccc2O)CC[C@@H]1O 2081715396 IASIPWNQZMNZLF-QWHCGFSZSA-N 252.314 0.292 10 10 CCCE CCNCc1ccc(N2C[C@H]3C[C@H]2[C@H](O)[C@@H]3O)cc1 2104426861 VGYYOQCOSSKPNP-BEAPCOKYSA-N 262.353 0.726 10 10 CCCE CS[C@H]1CNC[C@@H]1NC(=O)c1cccc(O)c1O 2084778551 HVPKGTSJAFGPNE-WPRPVWTQSA-N 268.338 0.531 10 10 CCCE CS[C@@H]1CNC[C@@H]1NC(=O)Cc1ccc(N)cc1 2084783127 KRGQBBLPXGTWCT-NWDGAFQWSA-N 265.382 0.631 10 10 CCCE COc1ccc(N2CCn3c(CN)nnc3C2)cc1F 2203327692 LDLHUWUFUPVXFN-UHFFFAOYSA-N 277.303 0.905 10 10 CCCE CC[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)C[C@@H]1CO 2205723597 XBNNBVKOHSAVRL-PSASIEDQSA-N 281.308 0.894 10 10 CCCE COC[C@@H]1[C@@H](O)[C@H](O)CN1c1ccc([C@@H](C)N)cc1F 2234064909 HLRWVSSHDUVOEH-HKSFMPNISA-N 284.331 0.402 10 10 CCCE COC[C@@H]1[C@H](O)[C@@H](O)CN1c1ccc2c(c1)C[C@@H](C)O2 2235067224 NVGCVVSBFWGPAP-JWFUOXDNSA-N 279.336 0.567 10 10 CCCE CCCNCc1cc(OC)ccc1N1CC(O)(CO)C1 2235959705 RBEMIEABOGQAJJ-UHFFFAOYSA-N 280.368 0.738 10 10 CCCE COc1ccc(N2CCN3CCOC[C@H]3C2)c(CN)c1 2235964995 WYNKLSHGVOGDQE-CYBMUJFWSA-N 277.368 0.675 10 10 CCCE CNCc1ccc(N2C[C@@H]3C[C@H](O)[C@H](O)C[C@H]3C2)cc1 2236991955 ZIUAAAWHKRYJKZ-DARAHFNDSA-N 276.380 0.974 10 10 CCCE COc1ccc(N2CC3(CNC(=O)N3)C2)c(C=O)c1 2227697730 ZOCZPTSYKZZDQI-UHFFFAOYSA-N 261.281 0.379 10 10 CCCE NC(=O)CN(Cc1ccc(N)cc1)C(=O)c1ccno1 2238136008 GCWIMIRBYLWNLC-UHFFFAOYSA-N 274.280 0.385 10 10 CCCE Nc1ccc(O)c(CN2CC3(CCC(=O)NC3)C2)c1 2265533839 YWWFRIPWVQPNRE-UHFFFAOYSA-N 261.325 0.686 10 10 CCCE O=S1CCN(Cc2ccc(N3CCNCC3)cc2)CC1 2286065221 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CC1(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)c(O)c2)C[C@H]1O 128739664 WVXSYADNZQJRIT-TVYUQYBPSA-N 294.351 0.243 10 10 CCCE Cc1ccc(O)c([C@@H](C(N)=S)N2CCNCC2)c1 213190995 CEARDOAUOUZYQI-LBPRGKRZSA-N 265.382 0.933 10 10 CCCE CC(C)[C@@H](CO)NS(=O)(=O)Cc1ccc(N)cc1 92391197 DOOORDGIXIYFKL-GFCCVEGCSA-N 272.370 0.705 10 10 CCCE C[C@@H](N)[C@@H]1CCN(C(=O)c2ccc(O)c(O)c2)C1 235174037 OLIKGLLZMABNAE-PSASIEDQSA-N 250.298 0.907 10 10 CCCE C[C@@H](O)c1ccc(N2C[C@@H](CO)[C@H](CO)C2)cc1O 707774872 AQNSQPUCBQMBLW-VWYCJHECSA-N 267.325 0.483 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@@H](O)C3(CCC3)C2)cc1 2165083461 UTUWUJSGFZSMFW-CYBMUJFWSA-N 296.392 0.945 10 10 CCCE CC(=O)C(=O)COC(=O)c1ccnc(NC(=O)C(C)C)c1 815482312 LMEBSPSCXSBBFM-UHFFFAOYSA-N 292.291 0.991 10 10 CCCE NC[C@@H]1[C@@H]2CN(C(=O)c3cc(O)c(O)c(O)c3)C[C@@H]21 2132399952 JEHRKPDMHJZAQJ-AYMMMOKOSA-N 264.281 0.080 10 10 CCCE O=C(N=c1ccnc(Cl)[nH]1)c1cc(O)c(O)c(O)c1 2132408798 ZPAIGRUAVFCDJL-UHFFFAOYSA-N 281.655 0.921 10 10 CCCE CO[C@@H]1CC[C@H]1CNC(=O)c1cc(O)c(O)c(O)c1 2132413066 JRNAIYUXJJYESD-WRWORJQWSA-N 267.281 0.958 10 10 CCCE C[C@H]1CC[C@H](NC(=O)c2cccc(O)c2O)CS1(=O)=O 855704580 WYXPSQVMRFCHJB-IUCAKERBSA-N 299.348 0.793 10 10 CCCE CC(C)(NCc1cc2c(cc1O)OCO2)C(N)=O 42880374 BNVAETQOAOLODK-UHFFFAOYSA-N 252.270 0.474 10 10 CCCE C[C@H]1CCN(S(=O)(=O)Cc2ccc(N)cc2)C[C@@H]1N 1876540239 QGDFMZFEQMWSSU-GWCFXTLKSA-N 283.397 0.768 10 10 CCCE CN(CCN=[N+]=[N-])C(=O)[C@@H](CO)NC(=O)OC(C)(C)C 1882297541 CQKDMHWSSQAWKU-MRVPVSSYSA-N 287.320 0.641 10 10 CCCE Nc1ccc(OCC(=O)NC[C@H]2CCCS2(=O)=O)cc1 133831768 MYINTVPBYDZAJJ-GFCCVEGCSA-N 298.364 0.341 10 10 CCCE C[C@](N)(Cc1ccc(O)c(O)c1)c1nnc(CO)o1 83480939 LUHGLBSYOYRPDT-LBPRGKRZSA-N 265.269 0.390 10 10 CCCE O=S(=O)(NCc1ccccc1O)[C@@H]1CCNC1 687251521 CRDPTVAFSLVIKV-SNVBAGLBSA-N 256.327 0.174 10 10 CCCE C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)CCc1ccc(N)cc1 711653473 HPADYWWLAYCOSO-MFKMUULPSA-N 296.392 0.751 10 10 CCCE CN(C)C[C@H](O)CN(C)c1ccc([N+](=O)[O-])c(CO)c1 690314452 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CN(C)C(=O)/C=C/C(=O)NCc1c(O)cccc1F 1596917079 UZSNFHZXRFEYNG-VOTSOKGWSA-N 266.272 0.792 10 10 CCCE COc1cc(C(=O)N[C@@H](C)CNC(C)=O)cc(OC)n1 1774136344 STEYEPXDQBTUHU-QMMMGPOBSA-N 281.312 0.353 10 10 CCCE CN[C@@H](C)c1ccc2c(c1)CCN2CCS(N)(=O)=O 162145568 GYCDSKGJHKBOQZ-JTQLQIEISA-N 283.397 0.618 10 10 CCCE COc1ccc(N2CC[C@@](N)(C(=O)O)C2)c(OC)c1 259385458 QKTHZLYPDCBGBB-ZDUSSCGKSA-N 266.297 0.696 10 10 CCCE O=C(CNCc1cc(Cl)ccc1O)Nc1nn[nH]n1 1857858433 XFTVCZUPBPFSBW-UHFFFAOYSA-N 282.691 0.287 10 10 CCCE C[C@H](C(=O)OC(C)(C)C)S(=O)(=O)NCCN=[N+]=[N-] 1912197753 YDGNTWRNLVCBRO-SSDOTTSWSA-N 278.334 0.946 10 10 CCCE N[C@H]1COCC[C@]1(Sc1nccs1)C(=O)O 1904752165 FZQAESCOPYPGJQ-IMTBSYHQSA-N 260.340 0.806 10 10 CCCE CC(=O)C(=O)[C@@]1(O)CC[C@H](NC(=O)OC(C)(C)C)C1 1919103230 SXWBIPWGDAIDRH-TVQRCGJNSA-N 271.313 0.953 10 10 CCCE O=C(NCc1ccccc1O)[C@]1(CF)CCNC1 1966876900 CSISAGUGYZWHBI-ZDUSSCGKSA-N 252.289 0.958 10 10 CCCE Nc1ccc(NC(=O)N2CC[C@@H](O)C[C@H]2CO)cc1 2136079047 ASGRVLLSJDCTCR-NWDGAFQWSA-N 265.313 0.618 10 10 CCCE [N-]=[N+]=NC1CCN([C@H]2CC(CO)(CO)C[C@@H]2O)CC1 2141454106 UOESAECIPMUAIB-QWRGUYRKSA-N 270.333 0.255 10 10 CCCE Cc1nnc(CN(C)C(=O)Cc2ccc(N)cc2)n1C 1969219813 MHBAUYYXODRZQR-UHFFFAOYSA-N 273.340 0.907 10 10 CCCE C[C@H]1CCN(C(=O)CCc2ccc(N)cc2)[C@@H]1C(N)=O 2146446785 GJLYZEBNIVTRAA-HZMBPMFUSA-N 275.352 0.924 10 10 CCCE COC(=O)[C@]1(Cc2ccc(O)c(O)c2)CCNC1 1951723292 FIOLNEXETHAAJN-ZDUSSCGKSA-N 251.282 0.793 10 10 CCCE C[C@](N)(C(=O)O)C1(c2cc(O)c(O)c(O)c2)CC1 1951857868 XBIQNZYSZHAYJR-NSHDSACASA-N 253.254 0.637 10 10 CCCE C[C@@H](Oc1ccc(N2CCNCC2)cc1)C(=O)N(C)C 35650807 OLDMNLIEQUQDBC-GFCCVEGCSA-N 277.368 0.952 10 10 CCCE CC(C)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)C1 2145834541 HVUTURHXTRUADZ-JTQLQIEISA-N 279.340 0.953 10 10 CCCE C[C@@H]1CC(=O)N(CCC(=O)Nc2ccc(N)cc2)C1=O 40739415 VYQPTKAXMVLTJW-SECBINFHSA-N 275.308 0.992 10 10 CCCE Oc1cc(-c2nn3cnnc3s2)cc(O)c1O 2015120600 UYJNNZHWJQZJCZ-UHFFFAOYSA-N 250.239 0.970 10 10 CCCE CC(C)OCCOC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 48637978 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COc1ccc(N2CC[C@@H]3C[C@H]2[C@H](O)[C@@H]3O)c(N)c1 2332600187 ZMPDMJVSAAHDTD-XAGKMFGPSA-N 264.325 0.598 10 10 CCCE COc1cccc(O)c1CN1C[C@H]2CS(=O)(=O)[C@H]2C1 2336554492 TYUAHZIGLPJHNM-ZANVPECISA-N 283.349 0.630 10 10 CCCE C[C@H]1CN(C(=O)c2cccc(O)c2O)C[C@H](C)N1 126674338 HIMAVJIIEVVDNZ-IUCAKERBSA-N 250.298 0.920 10 10 CCCE O[C@H]1CCCc2cc(N3CC[C@H](O)[C@H](O)C3)ccc21 2132177385 RMVFZYOAPYKFGZ-SOUVJXGZSA-N 263.337 0.988 10 10 CCCE CC(C)NC(=O)CN(C)C[C@H](O)COc1ccc(N)cc1 42601117 VBSDXPCBFTWUNH-ZDUSSCGKSA-N 295.383 0.465 10 10 CCCE COCCN[C@H](C(=O)OC)c1cc(F)ccc1O 234668995 CPHCJROLCOFHKW-NSHDSACASA-N 257.261 0.981 10 10 CCCE CN(C)C[C@@H]1C[C@H](O)CN1C(=O)COc1ccc(N)cc1 97244622 CPYGACIYAHHLSC-STQMWFEESA-N 293.367 0.171 10 10 CCCE CCNC(=O)[C@@H]1CNCCN1[C@H](C)c1cc(O)ccc1O 250343242 QAUFERDGFBNXTL-MFKMUULPSA-N 293.367 0.569 10 10 CCCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CSC(=O)N1 274936770 ORFDLUZFHGVZBI-VXNVDRBHSA-N 296.348 0.970 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CC[C@H](OCCO)C3)ccc21 2165427688 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CCO[C@@H]1CS(=O)(=O)C[C@@H]1N1CCC[C@@H](N=[N+]=[N-])C1 1912155344 PQVADCCZZCTHEM-OUAUKWLOSA-N 288.373 0.963 10 10 CCCE COc1ccc(N2CC[C@@H]([C@H](N)CO)C2)c(OC)c1 107945880 KRXOIYXEVRQOES-ZYHUDNBSSA-N 266.341 0.850 10 10 CCCE COCCNC(=O)CN[C@H](C)c1ccc(OC)cc1O 228694510 QRFOAAZTPKJBOH-SNVBAGLBSA-N 282.340 0.814 10 10 CCCE COc1ccc(N2CC[C@@](N)(C(=O)O)C2)c([N+](=O)[O-])c1 229313635 RTSMQASKKVFEOO-LBPRGKRZSA-N 281.268 0.596 10 10 CCCE COC(=O)C[C@H](CC(=O)O)c1ccc(O)c(O)c1O 1952059036 IZQFFPGWDMNJRQ-LURJTMIESA-N 270.237 0.925 10 10 CCCE CCN1CCc2cc([C@@H](O)[C@@H](N)C(=O)O)ccc21 1952264229 OENPIGYAHDTVHR-VXGBXAGGSA-N 250.298 0.514 10 10 CCCE CC(=O)C(=O)[C@]1(O)CC[C@@H]1NC(=O)OCc1ccccc1 1953265760 BPIUTPJHGXXIGF-WFASDCNBSA-N 291.303 0.964 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC=CCC1 167585537 DKPRVWLYWBBTJA-NSHDSACASA-N 262.309 0.756 10 10 CCCE O=C1Nc2cc(N3C[C@@H](CO)C4(CC4)C3)ccc2[C@@H]1O 2144101644 QOHLWOUGXBHYEH-ZANVPECISA-N 274.320 0.881 10 10 CCCE O=c1c2c(ccn1C[C@H]1CCCCS1(=O)=O)CCNC2 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CC(=O)N[C@H](CNCc1ccc(N(C)C)cc1)C(=O)O 2160468581 WEBIKKXUMHEGCD-CYBMUJFWSA-N 279.340 0.432 10 10 CCCE Nc1ccc(-n2ccc(C(=O)N[C@H]3C[C@H](O)C3)n2)cc1 2158825220 LBSCKZOEFGCMQE-UMSPYCQHSA-N 272.308 0.708 10 10 CCCE CNC(=O)C[C@@H](C)NC(=O)COc1ccc(N)cc1 323073268 WYLLYWHMWZBXNW-SECBINFHSA-N 265.313 0.288 10 10 CCCE O=C(NCCC1(C(=O)O)CCC1)c1cc(O)nc(O)c1 2160772234 JXDBTBGQBVGKOG-UHFFFAOYSA-N 280.280 0.868 10 10 CCCE COC(OC)[C@H](C)N(C)C(=O)c1cc(O)nc(O)c1 714486264 UWIRIYBYWVUEMB-ZETCQYMHSA-N 270.285 0.572 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N(C)CC[S@@](C)=O)ccc21 398984111 CMOWSIXQMQMVQZ-HXPMCKFVSA-N 281.381 0.714 10 10 CCCE COc1ccc(N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1F 2173418167 KGVSXFZVJMQHNN-PWSUYJOCSA-N 279.315 0.583 10 10 CCCE Nc1ccc(CC(=O)N[C@@H]2CO[C@]3(CCOC3)C2)cc1 2178969363 RKGTVVPZGRUTJI-DZGCQCFKSA-N 276.336 0.876 10 10 CCCE C[C@H](CNCc1c(O)cccc1F)c1nn[nH]n1 2042601003 DNOXCGPRCUDFGQ-SSDOTTSWSA-N 251.265 0.938 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1C[C@@H]2CC(O)C[C@H]2C1 2185076892 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N[C@@H]1C(=O)Nc2cc(N3C[C@H](O)C4(CCC4)C3)ccc21 2165054770 BRCBLVBEIZVOSW-STQMWFEESA-N 273.336 0.990 10 10 CCCE O=C(N[C@]1(C(=O)O)CC[C@@H]2C[C@@H]21)c1cc(O)nc(O)c1 2165583709 RQKQCSRBLCBORG-TXGPCXIKSA-N 278.264 0.476 10 10 CCCE CC(C)N(CC(=O)O)C(=O)c1cc(O)c(O)c(O)c1 2132348612 OYHZBGAACKADSF-UHFFFAOYSA-N 269.253 0.739 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N3C[C@@H]4C[C@H]3CO4)cc21 718365217 SDQXIYATHVFIPJ-KWBADKCTSA-N 259.309 0.640 10 10 CCCE CNC(=O)CCN(C)c1cc2c(cc1Cl)[C@@H](N)C(=O)N2 723200757 YDVGLQMBWSGJCN-GFCCVEGCSA-N 296.758 0.864 10 10 CCCE COc1cc(O)c(CNCc2cnn[nH]2)cc1OC 862424349 MRZFKCGRKPBLAG-UHFFFAOYSA-N 264.285 0.817 10 10 CCCE Oc1cc2c(cc1O)[C@H](N1CCOCC1)CNC2 71491368 QPTQCBANWUCDAB-LLVKDONJSA-N 250.298 0.574 10 10 CCCE CC[S@@](=O)CCNC(=O)/C=C\c1ccc(O)c(O)c1 779514789 NNXZWAOAAJHCJU-GJEJWFRCSA-N 283.349 0.996 10 10 CCCE CN[C@]1(C(=O)N[C@@H](C)c2ccccc2O)CCOC1 1877578737 OZIQBGSCVVJGJJ-IINYFYTJSA-N 264.325 0.948 10 10 CCCE CC(=O)N[C@@H]1CCN(C(=O)c2ccc(C)c(O)c2O)C1 1142620552 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10 10 CCCE NCc1ccc(N2C[C@@H]3C[C@H](C2)[C@@H](O)[C@H]3O)cc1Cl 2126151128 SIFVDEVCGSYEBZ-IOQCUFBNSA-N 282.771 0.977 10 10 CCCE C[C@H](N)c1ccc(N2CCOC[C@@H]2CO)cc1O 168231442 IKIBPIHYZHVUTO-ONGXEEELSA-N 252.314 0.609 10 10 CCCE N[C@@H]1CCCc2cc(N3C[C@H](O)[C@@H](CO)C3)ccc21 2128275787 WSEBHHFBICQWGU-DFBGVHRSSA-N 262.353 0.812 10 10 CCCE COC(=O)CS(=O)(=O)CCOc1ccc(N)cc1 36336885 FXRVNXWEXRXZOJ-UHFFFAOYSA-N 273.310 0.235 10 10 CCCE C[C@]1(CCO)CCN(C(=O)c2cc(O)nc(O)c2)C1 2131938657 CZJLRNJBVXHPGE-CYBMUJFWSA-N 266.297 0.727 10 10 CCCE O=C1CCN(c2ccc(CO)c([N+](=O)[O-])c2)CCN1 2132057209 AXYBIZFCGMSIKD-UHFFFAOYSA-N 265.269 0.413 10 10 CCCE CS(=O)(=O)NC1CN(c2ccc(C=CC(=O)O)cc2)C1 1911969090 QUFLKJNGIHSXKP-UHFFFAOYSA-N 296.348 0.522 10 10 CCCE [N-]=[N+]=N[C@@H]1CCCN(CC(=O)NC(=O)NC2CC2)C1 1912178885 PBFNZXPFQMQKAM-SECBINFHSA-N 266.305 0.749 10 10 CCCE C[C@@](O)(CO)[C@@H]1CCN(c2ccc(CN)c(F)c2)C1 2138105549 VVHDGIMKJYOFFQ-BXUZGUMPSA-N 268.332 0.854 10 10 CCCE CCNCc1ccc(N2CC(O)(C(N)=O)C2)c(Cl)c1 1915205487 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0.633 10 10 CCCE C[C@@H](N[C@H]1CC(=O)NC1=O)c1ccc(O)cc1O 2034956964 IMIFYGQWOKEEAZ-MUWHJKNJSA-N 250.254 0.164 10 10 CCCE [N-]=[N+]=N[C@H]1CCCN(S(=O)(=O)c2cn[nH]c2)C1 403642532 CRMFOAWMBWTPOE-ZETCQYMHSA-N 256.291 0.873 10 10 CCCE CN(CCCOc1ccc(N)cc1)C(CO)CO 310947778 MWQYDCDKDVMZBW-UHFFFAOYSA-N 254.330 0.323 10 10 CCCE CO[C@@H]1COCC[C@H]1NCc1ccc(O)c(O)c1O 311790984 ZUSUBIQGNPFDDV-MWLCHTKSSA-N 269.297 0.697 10 10 CCCE C[C@@H](N)c1ccc(N2CCC(O)(C(N)=O)CC2)cc1O 312230040 ACOKTAATBOVPLS-SECBINFHSA-N 279.340 0.229 10 10 CCCE CCNCc1ccc(N2CC[C@](O)(C(N)=O)C2)c(F)c1 312570413 ZFFYVIHLCKAJIA-CQSZACIVSA-N 281.331 0.362 10 10 CCCE Cc1cc(N2CC[C@]3(C2)NC(=O)NC3=O)ccc1CN 2170621471 KDOIGLRNEKWYPN-CQSZACIVSA-N 274.324 0.242 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)[C@H]2NCC[C@@H]2C2CC2)C1 2049783711 ZQIAXMFEUYPKDP-VUXODMRMSA-N 250.342 0.640 10 10 CCCE CC(C)[C@H](NC(N)=O)C(=O)NCc1ccccc1O 701184896 SKAXDNCWQUSCOO-NSHDSACASA-N 265.313 0.701 10 10 CCCE COc1ccc(N2CCC(NC(N)=O)CC2)c(N)c1 702131165 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CN1C[C@H](O)C[C@]1(C)C(=O)Nc1ccc(O)c(O)c1 2063868552 CZIPIKRMHJYZGS-NOZJJQNGSA-N 266.297 0.491 10 10 CCCE CN(CCCn1cncn1)C(=O)c1cccc(O)c1O 2169987478 VNTVRIHGGFQUCE-UHFFFAOYSA-N 276.296 0.852 10 10 CCCE Cn1cc(NC(=O)c2cc(O)c(O)c(O)c2)nn1 1148580586 IJJXKVSYRGJFHR-UHFFFAOYSA-N 250.214 0.184 10 10 CCCE C[C@@H](C(=O)O)C1CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2188868652 UYDMNQQJMIMJJM-ZCFIWIBFSA-N 281.264 0.596 10 10 CCCE NC[C@@H]1[C@H]2CC[C@@H](C2)N1C(=O)c1cc(O)c(O)c(O)c1 2188911675 DVEYGCYNCTYJQX-UJNFCWOMSA-N 278.308 0.755 10 10 CCCE Nc1ccc(CCCN2C[C@H](O)C[C@@H](O)C2)cc1 2043185102 ROHPMKVYMNMFIS-ZIAGYGMSSA-N 250.342 0.629 10 10 CCCE NC(=O)[C@@H]1CNCCN1c1ccc(OCC(F)F)cc1 2194310734 FMMYYZYIJMEOHN-NSHDSACASA-N 285.294 0.594 10 10 CCCE C[C@H]1CN(C(=O)Cc2ccc(N)cc2)CC[S@]1=O 2051911020 YVGHULXCOSVJDC-XTZNXHDOSA-N 266.366 0.791 10 10 CCCE CO[C@H]1CC(C(=O)N2CC(N=[N+]=[N-])C2)C[C@@H]1OC 2054459750 SYGCAMRVHUSHAX-UWVGGRQHSA-N 254.290 0.948 10 10 CCCE C[C@H]1CN([C@H](Cc2ccc(O)c(O)c2)C(=O)O)C(=O)N1 2191249228 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N[C@H]1CCC[C@H]1C(=O)NCCc1ccc(O)c(O)c1 2091749400 XTFHKZWPFVDTIX-MNOVXSKESA-N 264.325 0.884 10 10 CCCE CN=c1[nH]ccc(=NCCc2ccc(O)c(O)c2)[nH]1 2091746564 FTUJPBYFMIGZGA-UHFFFAOYSA-N 260.297 0.428 10 10 CCCE O=C(O)[C@@H]1[C@@H]2OCCN(Cc3cc(F)ccc3O)[C@H]21 2092847000 VXYRDSSXDCBQAG-SRVKXCTJSA-N 267.256 0.815 10 10 CCCE CCOc1cccc(CN[C@@H]2CC(=O)NC2=O)c1O 2096084178 NTHORNCETVRBHQ-SECBINFHSA-N 264.281 0.296 10 10 CCCE Oc1ccc(CNC[C@@H]2C[C@H](O)CCO2)c(O)c1O 2097941189 IBKHPDXMHYMSMK-ZJUUUORDSA-N 269.297 0.433 10 10 CCCE Nc1ccc(N2CCN([C@@H]3COC[C@H]3O)CC2)cc1 2099396376 RWTSGDBZATZJRO-ZIAGYGMSSA-N 263.341 0.151 10 10 CCCE COc1ccc(CNC[C@@H]2CCS(=O)(=O)C2)c(O)c1 40906824 CZFAMWRCSVVLST-JTQLQIEISA-N 285.365 0.925 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CC(n2ccnn2)C1 2113836126 LEDQFMLNWDLBRA-UHFFFAOYSA-N 260.253 0.386 10 10 CCCE COc1cc(N2CCN(C)C[C@H]2CCO)ccc1CO 2204555448 SZBVOZNTAKDLSC-CQSZACIVSA-N 280.368 0.690 10 10 CCCE COc1cc(N2CCC([C@H](O)CO)CC2)ccc1CN 2204545510 QDTFYHPWLVCXHZ-CQSZACIVSA-N 280.368 0.724 10 10 CCCE [N-]=[N+]=N[C@@H]1CCN(C(=O)[C@@H]2CC[C@@H](C(=O)O)O2)C1 2218735319 NFTVDLFJEUHOQL-CSMHCCOUSA-N 254.246 0.530 10 10 CCCE COc1ccc(N(C)[C@H]2CCNC2=O)c(CO)c1 2220431068 SMIOBELRVMFDKM-LBPRGKRZSA-N 250.298 0.512 10 10 CCCE COc1ccc(N2CC[C@H](OCC(N)=O)C2)c(C=O)c1 2235999399 IYMFLULZHZFHFB-LBPRGKRZSA-N 278.308 0.588 10 10 CCCE COc1ccc(N2C[C@@H]3[C@H](C(N)=O)[C@@H]3C2)c(C(=O)O)c1 2235949216 BFYZXGBZKQHICA-PEGIJTEDSA-N 276.292 0.561 10 10 CCCE COc1ccc(N2C[C@H]3C[C@H]2[C@@H](O)[C@@H]3O)c(OC)c1 2226804833 KVVGGLJTZCTYNM-MGNUUCGSSA-N 265.309 0.634 10 10 CCCE O=C1OCCN1C1CN(c2ccc(CO)cc2F)C1 2227419438 SGNHOYKVMYPDIG-UHFFFAOYSA-N 266.272 0.959 10 10 CCCE COc1ccc(N2C[C@H](O)[C@@H](CO)C2)c(OC)c1C 2278059041 MTPUWFJAZTWKQG-PWSUYJOCSA-N 267.325 0.802 10 10 CCCE Cc1cc(O)cc(C)c1NS(=O)(=O)N1CCN[C@H](C)C1 2239753896 KOVMIKMVJOMWGD-LLVKDONJSA-N 299.396 0.959 10 10 CCCE COc1cc(OC)c(N(CCO)C[C@H](C)O)c(OC)c1 2287071257 XDOPMEZZIWULQK-JTQLQIEISA-N 285.340 0.892 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1C[C@@H]2C[C@H](C1)[C@H]2O 2270717595 ZPMXGCLXLDFTNZ-WDAIWFPHSA-N 263.293 0.480 10 10 CCCE [N-]=[N+]=N[C@@H]1CCN(S(=O)(=O)CCOCCF)C1 2301771287 HSMZZQGTVYXPIV-MRVPVSSYSA-N 266.298 0.687 10 10 CCCE CCN(CCO)C(=O)C=Cc1ccc(O)c(O)c1 2307986331 OFGSKQZTYMRFOW-UHFFFAOYSA-N 251.282 0.952 10 10 CCCE Cc1cc(N2C[C@@H]3[C@H](C2)CS3(=O)=O)ccc1CO 2314782702 AYBCOVGKPCWWBZ-DGCLKSJQSA-N 267.350 0.721 10 10 CCCE CNCc1ccc(N2C[C@@H]3C[C@H]2[C@H](O)[C@@H]3O)c(F)c1 2329325975 LALKPIABZGCBJA-WTDIUWLJSA-N 266.316 0.475 10 10 CCCE Nc1ccc(CCC(=O)NC[C@@H]2[C@H]3CN[C@@H]2C3)cc1 2333091708 UERKUKNQYVHLCA-MRVWCRGKSA-N 259.353 0.926 10 10 CCCE O=C(CCn1cnnn1)N1Cc2cccc(O)c2C1 1354112094 XJJOVOSTNLJDSC-UHFFFAOYSA-N 259.269 0.311 10 10 CCCE COC(=O)CS(=O)(=O)NCCCCN=[N+]=[N-] 231733331 RWXKSTRXZJWHMZ-UHFFFAOYSA-N 250.280 0.169 10 10 CCCE CCOCCS(=O)(=O)NCc1ccc(N)cc1 63153501 PKQOXMPQNBHGEF-UHFFFAOYSA-N 258.343 0.725 10 10 CCCE CNC(=O)[C@H]1CNCCN1Cc1ccc2c(c1)CCN2C 89082961 TXCUKIIVGBDQIF-OAHLLOKOSA-N 288.395 0.199 10 10 CCCE COC(=O)[C@H]1CCCN1C(=O)c1ccc(O)c(O)c1 227016813 QAIFUHQVIJMZOE-SECBINFHSA-N 265.265 0.875 10 10 CCCE CC(=O)N(c1ccc(N)cc1)S(=O)(=O)N1CCOCC1 243732303 PUFCQOZKIVXCNO-UHFFFAOYSA-N 299.352 0.199 10 10 CCCE CN(C[C@](O)(C(=O)O)C(F)(F)F)c1ccc(CN)cc1 2162690470 RKPSJZSSGPLJQY-NSHDSACASA-N 292.257 0.960 10 10 CCCE CCOc1ccc(O)c(CN2CC(O)(COC)C2)c1 297288261 AQBHQHOTTMFKLB-UHFFFAOYSA-N 267.325 0.984 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CCN2CC[C@H]1C2 2132349482 DJISCEVHLQRXLM-VIFPVBQESA-N 264.281 0.334 10 10 CCCE C[C@H]1CNC[C@H]1CCNC(=O)c1cc(O)nc(O)c1 721147866 RXVOORSMFSKXCU-DTWKUNHWSA-N 265.313 0.468 10 10 CCCE Cc1cc(N(C)C)ccc1CN1C[C@H](O)C[C@H]1CO 840936644 ALJZKAPEBAGIHN-LSDHHAIUSA-N 264.369 0.989 10 10 CCCE CN(C)c1ccc(/C=C/CN2C[C@H](O)[C@@H](O)C2)cc1 862445942 JIDOABKPNOPFHU-WCYDHSITSA-N 262.353 0.803 10 10 CCCE C[C@@H](CS(C)(=O)=O)C(=O)N1Cc2cccc(O)c2C1 871202792 GFDCCUOIRKPYEH-VIFPVBQESA-N 283.349 0.915 10 10 CCCE C[C@H](CC(N)=O)C(=O)NCc1ccc(N(C)C)cc1 1135825425 SUBJKUXJYBOXCT-SNVBAGLBSA-N 263.341 0.880 10 10 CCCE CNC(=O)CNC(=O)c1ccc(N=NC(N)=O)cc1 1141426068 OGPHBZYLWJCQIL-UHFFFAOYSA-N 263.257 0.325 10 10 CCCE CCCNC(=O)[C@@H](N)c1cc([N+](=O)[O-])ccc1O 83395170 BVAVJZGYRXHYEM-JTQLQIEISA-N 253.258 0.826 10 10 CCCE CN1c2cc3c(cc2[C@H](O)C[C@@H]1C(=O)O)OCCO3 84165213 YNNHDURKRDPLBF-NXEZZACHSA-N 265.265 0.784 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC[C@@H](N3CCC3)C2)cc1 702271226 KFBHWAIFVYDJBU-CQSZACIVSA-N 295.408 0.879 10 10 CCCE C[C@]1(O)CCN(c2c(F)cc(CO)cc2F)C[C@H]1O 1893332865 VFPXNSKGIPWMNF-YPMHNXCESA-N 273.279 0.779 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCC(F)CC1 689393500 RLDZUFVYTRDOTN-NSHDSACASA-N 282.315 0.928 10 10 CCCE OCc1ccc(N2C[C@@H](O)C[C@H]2CO)cc1Cl 698122783 KYYGBDUKBQIKDG-QWRGUYRKSA-N 257.717 0.764 10 10 CCCE N[C@H]1CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1332001023 PWYMDKSIDNTZQA-NSHDSACASA-N 289.335 0.184 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NCCOC(=O)C1CC1 1297765171 PGRKABLVGRVOIB-UHFFFAOYSA-N 279.292 0.710 10 10 CCCE O=C1Nc2cc(N3CCO[C@@H](CF)C3)ccc2[C@H]1O 2115413024 PMNBKZAJGFKDCC-JOYOIKCWSA-N 266.272 0.847 10 10 CCCE CCC(=O)N1CC[C@@H](NC(=O)Cc2ccc(O)c(O)c2)C1 1295009145 YRXDUEGZTIGUNS-LLVKDONJSA-N 292.335 0.767 10 10 CCCE CCOC(=O)C[C@@H](O)C(=O)NCc1ccc(O)cc1O 1469160761 SFADGVWBMJUDQD-LLVKDONJSA-N 283.280 0.028 10 10 CCCE C[C@H](N)[C@H](O)C(=O)N(C)Cc1ccc(N(C)C)cc1 2120448070 XFUJZVVZEMISQH-GWCFXTLKSA-N 265.357 0.419 10 10 CCCE C[C@H]1CN(c2ccc3c(c2)OCO3)C[C@H](CO)N1 214565207 JXYABFPCJDYESQ-VHSXEESVSA-N 250.298 0.574 10 10 CCCE O=C(O)[C@H]1CN(C(=O)c2ccc(O)c(O)c2)C[C@@H]1F 2120645848 MZNQJVJCVXRASM-YUMQZZPRSA-N 269.228 0.593 10 10 CCCE COC(=O)[C@]1(NC(=O)c2cccc(O)c2O)CCSC1 1610983068 WOWMIYFDTSLMNK-ZDUSSCGKSA-N 297.332 0.876 10 10 CCCE C[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)c1nncn1C 1638855835 OYMYZLJNODSEKB-VIFPVBQESA-N 290.323 0.689 10 10 CCCE O=C(NCCn1ccc(O)nc1=O)c1cc(O)cs1 1638127538 GYHALGMSLOEQPP-UHFFFAOYSA-N 281.293 0.146 10 10 CCCE OC[C@H]1CN(c2ccc3c(c2)CC[C@H]3O)C[C@@H]1CO 2128317058 AXCVIEGWPIVKBU-LALPHHSUSA-N 263.337 0.703 10 10 CCCE C[C@H](c1c(O)cccc1O)N1C[C@@H](O)CC12CNC2 2130061819 JHWXEDXXXMLYKL-ZJUUUORDSA-N 264.325 0.567 10 10 CCCE C[C@@H](Cn1cnnc1)NC(=O)c1cccc(O)c1O 2130161101 GHONMBIQDIUQBY-QMMMGPOBSA-N 262.269 0.508 10 10 CCCE Cc1nn(C)c(C)c1S(=O)(=O)N1CC(N=[N+]=[N-])C1 1912183620 RNOAFNIMANOHMO-UHFFFAOYSA-N 270.318 0.720 10 10 CCCE [N-]=[N+]=NC1CN(S(=O)(=O)N2C[C@H]3CC[C@H]3C2)C1 1912193562 PCMBFRUTWUTPFL-OCAPTIKFSA-N 257.319 0.568 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCN(CC(=O)N2CCOC2=O)C1 1912169157 ZGJPDLODTUIJAZ-VIFPVBQESA-N 267.289 0.988 10 10 CCCE CC[C@@H](C)[C@H](NC(N)=O)C(=O)N1CC(N=[N+]=[N-])C1 1912206869 UTSKREZLRLJZAL-SVRRBLITSA-N 254.294 0.591 10 10 CCCE CN(Cc1ccc(N(C)C)cc1)C(=O)C1(N)CC(O)C1 1966785517 DLEODNQWBMJXQT-UHFFFAOYSA-N 277.368 0.563 10 10 CCCE CC(C)(CC(N)=O)NC(=O)[C@H]1CNc2ccccc2N1 227069071 ORUXDTSPSDDLCH-LLVKDONJSA-N 276.340 0.663 10 10 CCCE Nc1ccc(OC[C@@H](O)CN2CC[C@@H](CCO)C2)cc1 229165797 ZWGXAHGCESKLEI-JSGCOSHPSA-N 280.368 0.713 10 10 CCCE CNCc1ccc(N2C[C@H](O)[C@@H](CO)C2)cc1OC 2139705290 XMHSYLWXALGNOT-YPMHNXCESA-N 266.341 0.204 10 10 CCCE COc1ccc(O)c(CNCCc2ncn(C)n2)c1 127935361 LCRNTQGWMQELNI-UHFFFAOYSA-N 262.313 0.862 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1C[C@@H](O)[C@@H](C2CC2)C1 2146832035 ZLJXHHAXVCBXJG-BXUZGUMPSA-N 277.320 0.870 10 10 CCCE O=C1CCC(C(=O)O)(c2cc(O)nc(O)c2)CC1 1952134586 HCGZYFAYFNHBFK-UHFFFAOYSA-N 251.238 0.958 10 10 CCCE C[C@H](O)c1ccc(N2C[C@H]3CS(=O)(=O)C[C@H]3C2)cc1O 2144166884 LTIGBOVHDGPXJV-GARJFASQSA-N 297.376 0.926 10 10 CCCE CN[C@@H](c1cn(C)nn1)[C@H](O)c1ccc(N(C)C)cc1 2147844692 CANQFYFOKLRAFF-UONOGXRCSA-N 275.356 0.875 10 10 CCCE COC(=O)Cc1cnn(Cc2ccccc2O)c1N 260913758 OXHIBIVDXQZRRK-UHFFFAOYSA-N 261.281 0.935 10 10 CCCE C[C@H](NCc1ccc(N2CCOCC2)cc1)C(N)=O 35148739 GBKNOMUDAHVDDR-NSHDSACASA-N 263.341 0.487 10 10 CCCE CN1CCN(CCNCc2ccc3c(c2)CCO3)CC1 37760010 VJKDQTCOUNJRQX-UHFFFAOYSA-N 275.396 0.959 10 10 CCCE Nc1ccc(CCN2C(=O)[C@@H]3CCCN3S2(=O)=O)cc1 2145905152 GHEOJBLGXTVOHA-LBPRGKRZSA-N 295.364 0.363 10 10 CCCE C[C@@H](N)c1ccc2c(c1)CCN2C[C@@H]1CCS(=O)(=O)N1 2146187415 GPVBSQNOHLVYPV-MFKMUULPSA-N 295.408 0.761 10 10 CCCE CN(C)c1ccc([C@]2(O)CCS(=O)(=O)C2)cc1 1999506724 FFIZEIAEDGMCRI-LBPRGKRZSA-N 255.339 0.759 10 10 CCCE CN(Cc1cnn(C)c1)S(=O)(=O)Cc1ccc(N)cc1 40346763 KCRADLZCLFXNHA-UHFFFAOYSA-N 294.380 0.964 10 10 CCCE CCOCCNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 40461809 DRZXQTDPICCEGG-JTQLQIEISA-N 268.313 0.120 10 10 CCCE N[C@@H](CCCCNC(=O)c1ccc(O)c(O)c1)C(=O)O 2151561335 KLGNIVLIIFLIGH-VIFPVBQESA-N 282.296 0.410 10 10 CCCE CN[C@H](c1ccccc1O)C1(O)CC2(C1)CS(=O)(=O)C2 2152032712 IMYBFGIXLZMPIV-GFCCVEGCSA-N 297.376 0.592 10 10 CCCE CCS(=O)(=O)CC(=O)N1CCC(N=[N+]=[N-])CC1 2015470579 UCBTUFFWWBSNDO-UHFFFAOYSA-N 260.319 0.722 10 10 CCCE O=C1Nc2cc(N3CC(N4CC(F)C4)C3)ccc2[C@H]1O 2159017979 PIQIFXYNPBFDSS-CYBMUJFWSA-N 277.299 0.514 10 10 CCCE CO[C@@H]1CN(C)C[C@@H]1NCc1ccc(O)cc1O 2034336315 QQKCUJWPRWRPDR-WCQYABFASA-N 252.314 0.516 10 10 CCCE CN1CC[C@@H](Oc2ccc(N3CCNCC3)cc2)C1=O 71183355 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Nc1ccc(CS(=O)(=O)NCC2CC(O)C2)cc1 91426168 DBLXPXVQDPVBKO-UHFFFAOYSA-N 270.354 0.459 10 10 CCCE CN1C(=O)CC[C@H](NCc2cccc(O)c2O)C1=O 90026372 DUKADNPNOOGOPM-VIFPVBQESA-N 264.281 0.335 10 10 CCCE C[C@H](N)c1ccc(N2CCOC[C@H]2CO)cc1O 253065489 IKIBPIHYZHVUTO-GXSJLCMTSA-N 252.314 0.609 10 10 CCCE N[C@@H](Cc1c(Br)cc(F)c(O)c1O)C(=O)O 258634904 UMFZMUYDTPIOMO-LURJTMIESA-N 294.076 0.954 10 10 CCCE O=C(NC[C@@H](O)[C@@H]1CCCO1)c1c(F)ccc(O)c1O 530273157 LCTXWUWNHFLVKA-ZJUUUORDSA-N 285.271 0.507 10 10 CCCE CCN(C[C@@H](C)CN)C(=O)c1cc(O)c(O)c(O)c1 2132419672 VHOAHNSLUMNVGE-QMMMGPOBSA-N 268.313 0.860 10 10 CCCE NCC[C@H](NC(=O)c1cc(O)c(O)c(O)c1)C1CC1 2132419987 YIFWLXIIJPCPEX-VIFPVBQESA-N 266.297 0.661 10 10 CCCE C[C@H](CO)[C@H](C)NCC(=O)NCc1ccc(N(C)C)cc1 828833667 JBXMKWPUIHVPFM-OLZOCXBDSA-N 293.411 0.975 10 10 CCCE CNC(=O)CN1CCN(Cc2ccc(N)cc2)CC1 700810716 GBHVXSHUNXIRQA-UHFFFAOYSA-N 262.357 0.132 10 10 CCCE C[C@@H](CCCO)NC(=O)Cc1ccc(O)c(O)c1 1150451429 GPRYZRTZABOOBS-VIFPVBQESA-N 253.298 0.918 10 10 CCCE NC(=O)CCCC(=O)NCc1c(O)cccc1F 928712357 SCUUUAUITRRYOU-UHFFFAOYSA-N 254.261 0.803 10 10 CCCE C[C@@H](O)[C@@H](O)CNCc1ccc(N2CCN(C)CC2)cc1 865738860 KXKORXMRXPDGFT-CJNGLKHVSA-N 293.411 0.270 10 10 CCCE COCC(O)(CN[C@@H]1CCc2cccc(O)c21)COC 1875694790 DOQHOEPFYYQNIG-GFCCVEGCSA-N 281.352 0.993 10 10 CCCE C[C@@H](NC(=O)C1(N)CC(CO)C1)c1ccccc1O 1879675139 WWKYAKZLGWVRDT-NAUIOFCNSA-N 264.325 0.669 10 10 CCCE C[C@@H](N)c1cc(F)c(N2C[C@H](O)C[C@@H](O)C2)c(F)c1 1880926814 JOLMHHPTHVVQHN-SZEHBUNVSA-N 272.295 0.916 10 10 CCCE COC[C@@H](NC(=O)CCc1ccc(N)cc1)C(=O)O 134697875 BUHGVGTXTQRQPF-LLVKDONJSA-N 266.297 0.417 10 10 CCCE O=C(O)[C@H](O)C[C@H]1NCCc2c(O)ccc(O)c21 75799526 PXKWYJJIGPMWCX-GMSGAONNSA-N 253.254 0.120 10 10 CCCE C[C@H]1Oc2ccc(N(C)CC(=O)O)cc2N(C)C1=O 76365751 DYQGHBDHCKPVLI-MRVPVSSYSA-N 264.281 0.951 10 10 CCCE CCOC(=O)CNC(=O)[C@@H](N)c1ccc(C)cc1O 83483781 RKOJDXHVLAZFRJ-LBPRGKRZSA-N 266.297 0.380 10 10 CCCE Cc1nnc([C@@H](N)c2cc(O)c(O)c([N+](=O)[O-])c2)o1 83483242 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C[C@@H](c1ccc(O)cc1O)N(C)C1(C(=O)O)COC1 2116494171 ZZUIUKJDKUVZSD-QMMMGPOBSA-N 267.281 0.944 10 10 CCCE NCc1ccc(N2C[C@@H]3C[C@H](C2)[C@@H](O)[C@H]3O)c(Cl)c1 2126151319 VNPOWPBGFWYAFW-IOQCUFBNSA-N 282.771 0.977 10 10 CCCE CN(C)CCC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 167733414 ZUIMAQOBNBAWAK-SNVBAGLBSA-N 296.323 0.161 10 10 CCCE C[C@@H]1CC[C@@H](C(=O)N(CC(N)=O)Cc2ccc(N)cc2)O1 155457646 YEQPVLRRVAYJMG-MFKMUULPSA-N 291.351 0.650 10 10 CCCE NCCN1CCN(c2ccc3c(c2)OCCO3)CC1 22790545 HOBPXIHVLGIRAS-UHFFFAOYSA-N 263.341 0.539 10 10 CCCE C[C@]1(CO)C[C@@H](O)CN1c1ccc2c(c1)CC[C@@H]2N 2128325687 WHDVJOBLPZJHSS-VHDGCEQUSA-N 262.353 0.955 10 10 CCCE CO[C@H](C(=O)NCCc1ccc(N)cc1)[C@@H]1CCOC1 851632317 OJFHPHFBEFPDII-OCCSQVGLSA-N 278.352 0.979 10 10 CCCE COCCN1C[C@@H](C(=O)N2CC(N=[N+]=[N-])C2)CC1=O 1912182517 CJKQCVIHPWHQOF-QMMMGPOBSA-N 267.289 0.002 10 10 CCCE Cc1c(S(=O)(=O)N2CC[C@@H](N=[N+]=[N-])C2)cnn1C 1912185237 NOFNHURDCGHOPK-MRVPVSSYSA-N 270.318 0.802 10 10 CCCE 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O[C@@H]1[C@H]2C[C@@H](CN(c3ccc4c(c3)CCO4)C2)[C@H]1O 2226753256 UCIQPNKDGXKUFI-UOVKNHIHSA-N 261.321 0.799 10 10 CCCE CCN(CC(=O)NC)c1ccc(OC)cc1CNC 2227682588 PXCXPXMXEZMVCO-UHFFFAOYSA-N 265.357 0.987 10 10 CCCE CSc1ncc(CNC(=O)C[C@H]2COC[C@@H]2N)s1 2257085235 GRSLOSNLPFLEOH-CBAPKCEASA-N 287.410 0.845 10 10 CCCE NC(=O)c1nc(CNCc2cc(F)ccc2O)no1 2270353560 OMWCXARXIMGOPF-UHFFFAOYSA-N 266.232 0.303 10 10 CCCE Nc1ccc(CC(=O)N[C@@]23CO[C@@H](C2)[C@@H](N)C3)cc1 2266448520 MRVBFGWOKNKFSL-SGMGOOAPSA-N 261.325 0.186 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3CC[C@@]4(O)C[C@H]4C3)cc21 2280025845 GLDGARIMCDEORI-JBCWJZNQSA-N 273.336 0.624 10 10 CCCE Cc1cc(N2CCC[C@](O)(C(N)=O)C2)ccc1[C@H](C)O 2285176810 XERAYXNQJBXEMQ-XHDPSFHLSA-N 278.352 0.865 10 10 CCCE Cc1cc(N2C[C@H]3C(=O)NC(=O)[C@H]3C2)ccc1[C@@H](C)O 2285162060 SKEMMERNLGVOOJ-WQAKAFBOSA-N 274.320 0.757 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)[C@@H]1[C@@H]2CC[C@H]1NC2 2354651560 CDDVLGSREHEUBY-JTNHKYCSSA-N 276.336 0.755 10 10 CCCE C[C@H](C(=O)O)N1CCN(C(=O)Cc2ccc(N)cc2)CC1 51660821 WNDKRFGEMJHLBX-LLVKDONJSA-N 291.351 0.429 10 10 CCCE CN1C[C@H](NCc2ccc(O)c(O)c2O)CC1=O 311218630 NIEYOLXEQPCNNZ-MRVPVSSYSA-N 252.270 0.124 10 10 CCCE Nc1ccc(OCCN2CC[C@@H]3C[C@H]2[C@H](O)[C@@H]3O)cc1 2357596552 JFHHPGQCFNMJMG-KAOXEZKKSA-N 278.352 0.464 10 10 CCCE CC1(C)[C@@H](O)C[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 128739264 WVXSYADNZQJRIT-XDTLVQLUSA-N 294.351 0.243 10 10 CCCE CN(Cc1ccc(O)cc1O)C[C@@H]1CNCCO1 125362572 BVCCTWDKJIXNAS-LBPRGKRZSA-N 252.314 0.518 10 10 CCCE CNC(=O)CN(C)c1cc(OC)c(OC)c(OC)c1 131064634 BMQHDHCYCNORMM-UHFFFAOYSA-N 268.313 0.895 10 10 CCCE CC(=O)c1ccc(O)c(CN2CC[C@@H](O)[C@H](O)C2)c1 2132114486 DLVXZOBOWMOMRD-ZIAGYGMSSA-N 265.309 0.522 10 10 CCCE C[C@@H](NC(=O)Nc1ccc(N)cc1)C(=O)N1CCOCC1 228163163 FHIXNQNLABIUCG-SNVBAGLBSA-N 292.339 0.638 10 10 CCCE C[C@@H](CC(N)=O)NC(=O)c1ccn(-c2ccc(N)cc2)n1 136064602 WVXSDUITAGKYOJ-VIFPVBQESA-N 287.323 0.448 10 10 CCCE CC(=O)c1cc(F)cc(CN2CC(=O)NC(=O)[C@@H]2C)c1O 97294434 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COc1cccc(CNC(=O)[C@@H]2COC(=O)N2)c1O 860240921 MHVWCALHCQREKG-QMMMGPOBSA-N 266.253 0.125 10 10 CCCE CN(c1cc2c(cc1N)OCC(=O)N2)[C@H]1CCNC1 1876269429 STDJYTXBZSUVEH-QMMMGPOBSA-N 262.313 0.398 10 10 CCCE Nc1ccc(OCC(=O)N2C[C@@H]3CNC[C@@H]3C2)cc1 1876456246 MUKUJGZWJUNSHM-PHIMTYICSA-N 261.325 0.325 10 10 CCCE C[C@@H](NC(=O)[C@@H]1COCCN1C)c1ccccc1O 1877572640 ZVURVTBLWPMDMJ-PWSUYJOCSA-N 264.325 0.900 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CC(C2CNC2)C1 1886854351 NNXHDRGXJXZSRE-UHFFFAOYSA-N 262.309 0.318 10 10 CCCE Cc1ccc([C@@H](C(=O)O)N2C(=O)CCC2=O)c(O)c1 83457975 MPQBBPQXJCVJMF-LBPRGKRZSA-N 263.249 0.975 10 10 CCCE N[C@H](CC1CC1)C(=O)NCc1ccc(O)c(O)c1O 83483687 CBDVLLJHXWELOW-SECBINFHSA-N 266.297 0.547 10 10 CCCE N[C@@H](c1nnc(CCC(=O)O)o1)c1cccc(O)c1O 83588076 ZQEXVTAAEVXSPM-SNVBAGLBSA-N 279.252 0.546 10 10 CCCE Cc1ccc(O)c(CN2CCN(C)[C@H](C(=O)O)C2)c1 686101481 UXBHFWWCMJSSCI-LBPRGKRZSA-N 264.325 0.901 10 10 CCCE CN[C@H](C)c1ccc(N2C[C@@H](CO)[C@@H](CO)C2)cc1O 704817370 XZEQXEDMTIZLNH-UTUOFQBUSA-N 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CN(C(=O)CN1CC[C@@](F)(CO)C1)c1ccc(N)cc1 1917070846 CTDCIRNNRYKQNP-AWEZNQCLSA-N 281.331 0.638 10 10 CCCE Nc1ccc(CS(=O)(=O)NC[C@H]2CC[C@@H](O)C2)cc1 227522306 QKDPQYFJBHHUHV-WCQYABFASA-N 284.381 0.849 10 10 CCCE C[C@H](c1ccc(O)cc1O)N1C[C@@H](O)C[C@@H]1C(=O)O 2136093749 SDIMGUIFPWCNQP-POZPLHJXSA-N 267.281 0.679 10 10 CCCE CN(C)[C@@H]1COC[C@H]1CNC(=O)c1cccc(O)c1O 1924726235 YPBJOTFDDQEAOM-MWLCHTKSSA-N 280.324 0.404 10 10 CCCE C[C@H](N)c1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)cc1Cl 2136340489 XGLGDCVECOILQQ-VFFVRTRHSA-N 286.759 0.262 10 10 CCCE COc1cc(N2C(=O)[C@H](C)O[C@@H](C)C2=O)ccc1N 2142347244 FMPLPRQBQSCIAC-YUMQZZPRSA-N 264.281 0.944 10 10 CCCE Nc1ccc(CS(=O)(=O)NC[C@@H](O)C(F)(F)F)cc1 236351557 DDDUAIPKMRXUBI-SECBINFHSA-N 298.286 0.611 10 10 CCCE CC(=O)C(=O)[C@H]1COCCN1C(=O)OC(C)(C)C 1951498559 BRWHVZDWIIEWTK-SECBINFHSA-N 257.286 0.780 10 10 CCCE CC[C@@H](C(=O)O)N(C)C(=O)Cc1ccc(O)c(O)c1 1971308199 JYHWPVDYJQUFMZ-VIFPVBQESA-N 267.281 0.962 10 10 CCCE Nc1ccc(OCCC(=O)N2C[C@H]3[C@H](O)C[C@H]3C2)cc1 2151399373 XPLRWJXMXVEWNE-ZLKJLUDKSA-N 276.336 0.877 10 10 CCCE NN[C@@H](CCN1CCOCC1)c1ccccc1O 2029548914 KLIWLLVHOZLOIP-LBPRGKRZSA-N 251.330 0.619 10 10 CCCE CS(=O)(=O)CC1CN(Cc2cc(N)ccc2O)C1 2041503096 NYSOGRLOSWJDHL-UHFFFAOYSA-N 270.354 0.451 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@@H]1CO[C@@H]2CNC[C@H]21 2160915322 UFEBAEZZMNVSRZ-OUCADQQQSA-N 276.336 0.585 10 10 CCCE [N-]=[N+]=N[C@@H]1CCCN(S(=O)(=O)c2cc[nH]n2)C1 403650451 HLXCUQZYFNKEFK-SSDOTTSWSA-N 256.291 0.873 10 10 CCCE O=C(O)CS(=O)(=O)CCNCc1ccc2c(c1)CCO2 2160560106 KZIPMZNYMMOWAM-UHFFFAOYSA-N 299.348 0.211 10 10 CCCE C[C@@](CC(=O)O)(NC(=O)c1cc(O)nc(O)c1)C(F)F 2172073207 HAYFYMNQLQOHRJ-NSHDSACASA-N 290.222 0.721 10 10 CCCE NCc1ccc(N2C[C@@H](O)C[C@@H]2CO)cc1Cl 704691711 ULDXTLFFWYGWQX-MNOVXSKESA-N 256.733 0.731 10 10 CCCE Nc1ccc(CS(=O)(=O)NCc2cnc(O)[nH]2)cc1 379736576 OKGZKEWAGWJMFL-UHFFFAOYSA-N 282.325 0.317 10 10 CCCE C[C@H](NC1CS(=O)(=O)C1)c1ccc(F)cc1O 380161130 UVQQFAFUMBLGGI-ZETCQYMHSA-N 259.302 0.979 10 10 CCCE Nc1ccc(OCC(=O)NCC23CCN(CC2)C3)cc1 715766797 WCYZEWXJMDIPLB-UHFFFAOYSA-N 275.352 0.860 10 10 CCCE C[C@@H]1NC(=O)CC[C@H]1NCc1cccc(O)c1O 392857559 BYTMCGZAWGFIGG-WCBMZHEXSA-N 250.298 0.855 10 10 CCCE CCCN1CC[C@](NCCN=[N+]=[N-])(C(=O)OC)C1 394084539 UUKVSLXLLFTLHD-LLVKDONJSA-N 255.322 0.914 10 10 CCCE CCN(Cc1ccc(N(C)C)cc1)C(=O)CNCCO 2168711859 PZGAEETZEFKCIZ-UHFFFAOYSA-N 279.384 0.683 10 10 CCCE Nc1ccc(OCC(=O)N2CC(O)(C(F)(F)F)C2)cc1 2170379837 RQLSIINWBXHULH-UHFFFAOYSA-N 290.241 0.783 10 10 CCCE Cc1cc(N2CC[C@@]3(C2)NC(=O)NC3=O)ccc1CO 2170609033 YWZHGEILHVJWQT-AWEZNQCLSA-N 275.308 0.276 10 10 CCCE CN(c1ccc(CNC2CC2)cc1)[C@@H]1CC(=O)NC1=O 2171191279 XHJBWJSJEQTUAV-CYBMUJFWSA-N 273.336 0.790 10 10 CCCE Nc1ccc(OC[C@H](O)CN2C[C@H](F)[C@@H](CO)C2)cc1 2177138776 STAZURMZGNRAPC-QKCSRTOESA-N 284.331 0.271 10 10 CCCE CN1C(=O)N[C@@H]2CN(c3ccc(CN)cc3F)CC[C@@H]21 2171304220 CTBGQHBHCFDVOG-YPMHNXCESA-N 278.331 0.887 10 10 CCCE O=C(NCc1ccc(O)nc1)c1cc(O)c(O)c(O)c1 2188867852 HVDSIWCHCQFGAF-UHFFFAOYSA-N 276.248 0.834 10 10 CCCE CC[C@H]1C(=O)NC(=O)CN1c1ccc2c(c1)CC[C@@H]2N 2184739175 CQBVGSPIUGIWCQ-STQMWFEESA-N 273.336 0.874 10 10 CCCE C[C@@H](N)C[S@](C)(=O)=NC(=O)c1cc(O)nc(O)c1 2042220776 JDDFJUSOXAFSKL-DMWPKQFHSA-N 273.314 0.078 10 10 CCCE Nc1ccc(CNS(=O)(=O)CC2CC(=O)C2)cc1 2053160707 HLOJQFZCJQSMRN-UHFFFAOYSA-N 268.338 0.667 10 10 CCCE [N-]=[N+]=NCC1(CNC(=O)[C@@H]2CCS(=O)(=O)C2)CC1 2054030995 NLWWOUJEULVZOI-MRVPVSSYSA-N 272.330 0.628 10 10 CCCE O=CN1CCN(C(=O)c2cccc(O)c2O)CC1 2054397874 NMNDLZKSVRCELX-UHFFFAOYSA-N 250.254 0.012 10 10 CCCE C[C@H](N)c1cc(F)c(N2CC[C@@](O)(C(N)=O)C2)c(F)c1 2194701227 BHCPKAGHNMNJDS-CPFSXVBKSA-N 285.294 0.411 10 10 CCCE C[C@H](O)[C@@H]1C[C@H]1NCc1cc2c(cc1O)OCO2 2061890199 AEFOUIFBBCUKLR-UJNFCWOMSA-N 251.282 0.980 10 10 CCCE CCOC(=O)c1cccc(N)c1N[C@H]1CNC[C@H]1OC 2191736052 CCBQSERPUFSRFA-NWDGAFQWSA-N 279.340 0.844 10 10 CCCE NC[C@@H]1C[C@H](CNC(=O)COc2ccc(N)cc2)CO1 2191749843 ORXLJHKZKKFGOU-MFKMUULPSA-N 279.340 0.128 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CCC[C@]23CCNC3)cc1 2191776757 QQUDYLHFFTYZBE-CQSZACIVSA-N 295.408 0.927 10 10 CCCE C[C@@H](NC[C@@H]1CNC(=O)O1)c1c(O)cccc1O 2066429710 ZWBYSPLUPHCVFQ-HTQZYQBOSA-N 252.270 0.857 10 10 CCCE C[C@@H](C(N)=S)N(C)C(=O)c1cc(O)c(O)c(O)c1 2068619253 XSADZTTYSSGJMZ-YFKPBYRVSA-N 270.310 0.550 10 10 CCCE O=C(N[C@@H]1COC[C@@H]1F)c1cc(O)c(O)c(O)c1 2071570106 FTNZBFBNTKAFHF-NKWVEPMBSA-N 257.217 0.270 10 10 CCCE COCCN1C[C@@H](O)[C@H](N2CCC(N=[N+]=[N-])CC2)C1 2100657657 JDQVDWOONPNJNV-VXGBXAGGSA-N 269.349 0.453 10 10 CCCE NC[C@@]1(O)CCCN(Cc2cc(F)cc(F)c2O)C1 2101316059 BRYVRDXFOKKMIB-ZDUSSCGKSA-N 272.295 0.956 10 10 CCCE Nc1ccc(CC(=O)N2C[C@H](O)[C@H]3COC[C@H]32)cc1 2102189128 OCRYKQFEECENEN-XQQFMLRXSA-N 262.309 0.029 10 10 CCCE Cc1cc(CO)ccc1N1CC[C@H](N2CC(O)C2)C1 2102518871 AKRNLSXUXYLUGR-ZDUSSCGKSA-N 262.353 0.743 10 10 CCCE CN[C@H](C)c1cnc(Sc2nc(O)n(C)c(=O)n2)s1 2103566885 CVIKVJFGGUAILO-RXMQYKEDSA-N 299.381 0.769 10 10 CCCE COC(=O)[C@@H](NCCN=[N+]=[N-])C1(S(C)(=O)=O)CCC1 2110409674 MIQJINFZDZUEMQ-MRVPVSSYSA-N 290.345 0.395 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)[C@@]12COC[C@@H]1C2 2091740978 FNQZFIKPOLJBDA-HZMBPMFUSA-N 263.293 0.793 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)[C@@H]1[C@H]2CN[C@H]1C2 2091759332 LMZGGJUAHHIDPQ-GBIKHYSHSA-N 262.309 0.364 10 10 CCCE COc1ccc(CN[C@H]2COC[C@@H]2S(C)(=O)=O)cc1C 2207464684 IEJFXXREOKBKIU-JSGCOSHPSA-N 299.392 0.905 10 10 CCCE Cc1cc([C@H](C)O)ccc1N1CC(NS(C)(=O)=O)C1 2232101261 WCRLQIUDSXLSDK-JTQLQIEISA-N 284.381 0.786 10 10 CCCE CNCc1cc(OC)ccc1N1C[C@H](O)[C@H]2COC[C@@H]21 2235963444 NAGMKAPNSFSPFI-QEJZJMRPSA-N 278.352 0.611 10 10 CCCE C[C@H](N)c1ccc(N2C[C@@H](CO)C[C@@H](CO)C2)cc1O 2236636499 ONRJRRCJDRMRLW-SDDRHHMPSA-N 280.368 0.839 10 10 CCCE NC(=O)CN(Cc1ccc(N)cc1)C[C@]1(F)CCOC1 2238313493 BASLGWBGYKBENZ-CQSZACIVSA-N 281.331 0.685 10 10 CCCE NCc1ccc(N2C[C@H]3C[C@@H](O)[C@H](O)C[C@H]3C2)cc1 2228694661 VVLXKSZWQPITSI-AYRXBEOTSA-N 262.353 0.713 10 10 CCCE Cc1cc(O)cc(C)c1NS(=O)(=O)N1CCNC[C@@H]1C 2239734432 JNWLCAXZOXOFSE-NSHDSACASA-N 299.396 0.959 10 10 CCCE Cc1cc([C@H](C)O)ccc1N1CC[C@@](O)(CO)[C@H](O)C1 2240833109 KRQLPQHKVNQQEW-NILFDRSVSA-N 281.352 0.343 10 10 CCCE CN[C@H](C)c1ccc(N2CC[C@@](O)(C(N)=O)C2)cc1C 2285144051 OEERXGLBWQGNMT-ABAIWWIYSA-N 277.368 0.702 10 10 CCCE COc1ccc(CN(C)CC2(O)CNC2)c(O)c1 2259140361 ZODLXJFHEYDCAR-UHFFFAOYSA-N 252.314 0.167 10 10 CCCE COC(=O)CS(=O)(=O)Nc1ccc(O)cc1[N+](=O)[O-] 2274274076 KLLIILDUUKAIGJ-UHFFFAOYSA-N 290.253 0.215 10 10 CCCE NC[C@@H]1CC[C@H](C(=O)NCc2ccccc2O)CO1 2264667271 KDCCGXPDTYNPNE-RYUDHWBXSA-N 264.325 0.762 10 10 CCCE Cc1cc(N2C[C@H]3C(=O)NC(=O)[C@@H]3C2)ccc1[C@@H](C)O 2285165975 SKEMMERNLGVOOJ-OASPWFOLSA-N 274.320 0.757 10 10 CCCE CC[C@@H](N)c1ccc(N2C[C@H](O)[C@H](O)[C@H](CO)C2)cc1 2289396144 BONPPQHRQBFBMC-PMOUVXMZSA-N 280.368 0.247 10 10 CCCE O=S(=O)(O)c1ccc(N=NN2CCNCC2)cc1 2297730816 XDESLOYOBIHWSK-UHFFFAOYSA-N 270.314 0.837 10 10 CCCE COc1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CF)cc1F 2312394192 HPWDOAFKCKMBOR-FOGDFJRCSA-N 259.252 0.714 10 10 CCCE CN(CCN=[N+]=[N-])C(=O)[C@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)O 2333612954 GJDXDLPQVBADPB-XGEHTFHBSA-N 268.273 0.633 10 10 CCCE Nc1ccc(OCCN2C[C@H]3CS(=O)(=O)[C@H]3C2)cc1 2336548010 FSPLMKQXAUNQMJ-GWCFXTLKSA-N 282.365 0.376 10 10 CCCE C[C@H](CO)S(=O)(=O)N1CCc2cc(O)c(O)cc2C1 2341200446 DEVVKLBQKTWSGL-MRVPVSSYSA-N 287.337 0.167 10 10 CCCE CSc1cc(N2C[C@H](CO)[C@@H](CO)C2)ccc1CN 2353852260 SOSKHVWSXGFFBW-VXGBXAGGSA-N 282.409 0.904 10 10 CCCE O=C([C@@H]1CNc2ccccc2N1)N1C[C@@H]2C[C@@H](O)[C@H]1C2 2355626299 USEDDLQHSFCYOT-OLRMPSLUSA-N 273.336 0.874 10 10 CCCE COc1ccc(O)c(CNC(=O)[C@@H]2CCN(C(C)=O)C2)c1 175380029 AVQPFULEMKJFBZ-LLVKDONJSA-N 292.335 0.885 10 10 CCCE CNS(=O)(=O)CCCN(C)Cc1ccccc1O 111234981 UBPQWOQQOIZLCC-UHFFFAOYSA-N 272.370 0.763 10 10 CCCE NCc1ccc(N2CCC[C@@H](C(N)=O)C2)c(F)c1 20469552 QBCHWARDPHKMBG-SNVBAGLBSA-N 251.305 0.986 10 10 CCCE O=C(O)c1ccnc(CNC(=O)c2cc(O)nc(O)c2)c1 129457523 UYQPAEMSQHTAMI-UHFFFAOYSA-N 289.247 0.516 10 10 CCCE CC[C@H](C)NC(=O)CN(CC(N)=O)Cc1ccc(N)cc1 35366616 BRQIMWCDSWYYHL-NSHDSACASA-N 292.383 0.471 10 10 CCCE CN(c1ccc(CN)c(F)c1)[C@@H]1CCS(=O)(=O)C1 135222243 XXKDUEHTLMNPNM-LLVKDONJSA-N 272.345 0.908 10 10 CCCE CN1CCc2cc(CNC[C@](C)(O)CO)ccc21 90284643 IOWGRPQXWCZJBK-AWEZNQCLSA-N 250.342 0.512 10 10 CCCE CC(=O)C(=O)COC(=O)[C@]1(O)CCc2ccccc2C1 808549370 YGEHUOVEZLBNCP-HNNXBMFYSA-N 276.288 0.608 10 10 CCCE CN([C@H]1C[C@@H](C(N)=O)C1)S(=O)(=O)Cc1ccc(N)cc1 703486748 RFIXRYPFBHKJPZ-KLPPZKSPSA-N 297.380 0.294 10 10 CCCE NC(=O)[C@H]1CNCCN1c1ccc2c(c1)OCCCO2 2162625533 SSWBEBINLGTEGB-LLVKDONJSA-N 277.324 0.111 10 10 CCCE CN[C@H](c1ccc(N(C)C)cc1)[C@]1(O)CCS(=O)(=O)C1 2163127376 OHUACKBJKGPROT-KGLIPLIRSA-N 298.408 0.563 10 10 CCCE CN[C@H](c1ccc(N(C)C)cc1)[C@@H](O)c1cn(C)nn1 2163137034 ZEEGZSRMLCWHNC-KGLIPLIRSA-N 275.356 0.875 10 10 CCCE O=C(N[C@]1(C(=O)O)CC[C@@H]2C[C@H]21)c1cc(O)nc(O)c1 2165583707 RQKQCSRBLCBORG-JCAYMWJVSA-N 278.264 0.476 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CC[C@@H]2C[C@]2(O)C1 2132348033 CIPHNIKDFXASGZ-OQPBUACISA-N 265.265 0.400 10 10 CCCE CN(Cc1cnc[nH]1)C(=O)c1cc(O)c(O)c(O)c1 2132411719 XKOWUSKZYCVQLQ-UHFFFAOYSA-N 263.253 0.799 10 10 CCCE C[C@H](NC(=O)c1cc(O)c(O)c(O)c1)[C@@H]1CCNC1 2132414504 XSRUXQDKJRZZHV-JGVFFNPUSA-N 266.297 0.531 10 10 CCCE CO[C@@H]1CS(=O)(=O)[C@H]2CN(Cc3ccccc3O)C[C@@H]12 827389334 NPKSSSWEHKMRAR-YUTCNCBUSA-N 297.376 0.636 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN1C(=O)c1cc(O)nc(O)n1 691688816 KHSWDIHZRNVWLA-ZCFIWIBFSA-N 264.245 0.803 10 10 CCCE CN(C)c1ccc(CNS(=O)(=O)C2CNC2)cc1F 923602145 FAGAUOXOIFABQJ-UHFFFAOYSA-N 287.360 0.283 10 10 CCCE CCOC(=O)[C@@H](NCCCN=[N+]=[N-])c1nnn(C)n1 697246877 BYNFLMGPJXMSJD-ZETCQYMHSA-N 268.281 0.104 10 10 CCCE O=C1CCN(Cc2cc3c(cc2O)OC[C@H]3O)CCN1 768447608 AEJSHNZSFMIYHY-GFCCVEGCSA-N 278.308 0.140 10 10 CCCE COCCn1ccc(C(=O)NCc2cccc(O)c2O)n1 1352657782 KCFVFVCNZIHRAY-UHFFFAOYSA-N 291.307 0.871 10 10 CCCE CCn1c(C(=O)O)cc(=O)n2nc(-c3cnccn3)cc12 71469967 FBHUWSJPIUNYDC-UHFFFAOYSA-N 285.263 0.671 10 10 CCCE Cn1ncc(CCC(=O)N2Cc3cccc(O)c3C2)n1 871205569 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O=C(CN1CCn2cnnc2C1)c1ccc(O)c(O)c1 81549210 ZWSGQOCYKQBQDO-UHFFFAOYSA-N 274.280 0.388 10 10 CCCE COC(=O)C1(O)CN(c2ccc([C@@H](C)O)c(O)c2)C1 714485247 NSOLLFVIALPIHH-MRVPVSSYSA-N 267.281 0.170 10 10 CCCE Nc1ccc(OCCCN2CCCNC(=O)C2)cc1 87883205 SOGLXJQDAPBODL-UHFFFAOYSA-N 263.341 0.860 10 10 CCCE COc1cccc(CN[C@H]2[C@H]3CS(=O)(=O)C[C@H]32)c1O 2118020600 PSNSZJHAMSNEDM-PEGIJTEDSA-N 283.349 0.533 10 10 CCCE O=[N+]([O-])c1ccc(N2C[C@@H](CO)[C@@H](F)C2)cc1CO 2120605080 CGURRRURMLWQKE-ONGXEEELSA-N 270.260 0.854 10 10 CCCE CN1CC[C@H](CNC(=O)Cc2ccc(O)c(O)c2)C1 1542185881 FSGKHTAAHKEPPX-LLVKDONJSA-N 264.325 0.708 10 10 CCCE Cn1cccc([C@@H](NCCCN=[N+]=[N-])C(=O)O)c1=O 2121263326 MDYBDNQBDRBCPS-SECBINFHSA-N 265.273 0.801 10 10 CCCE CCOCCOCCNC(=O)Cc1ccc(O)c(O)c1 1558503319 FGFWBFHPGAFIBZ-UHFFFAOYSA-N 283.324 0.810 10 10 CCCE O=C1C[C@H](C(=O)NCc2ccc3cccnc3c2O)N1 1627073440 NNRMYJGEUNESPC-SNVBAGLBSA-N 271.276 0.445 10 10 CCCE CN(CC1(O)CCOCC1)C(=O)Cc1ccc(O)c(O)c1 1567610071 PBTYCSUNCMSEMS-UHFFFAOYSA-N 295.335 0.640 10 10 CCCE COc1ncc(C(=O)NCc2ccc(O)cc2O)cn1 1570462477 VFTMDMLMIPCWLF-UHFFFAOYSA-N 275.264 0.826 10 10 CCCE CC[C@H](CCO)NC(=O)Cc1ccc(O)c(O)c1 1636192185 YBAVMTQSTCIDMT-SNVBAGLBSA-N 253.298 0.918 10 10 CCCE Nc1ccc(-n2ccc(C(=O)N3CC[C@@H](CO)C3)n2)cc1 167568750 IJDZVPLFNOPAOT-LLVKDONJSA-N 286.335 0.909 10 10 CCCE C[S@](=O)CC1CN(c2ccc(CO)c([N+](=O)[O-])c2)C1 2132058067 LUKMKMYBFFOXLV-IBGZPJMESA-N 284.337 0.902 10 10 CCCE COC(=O)CCCS(=O)(=O)N1CC[C@@H](N=[N+]=[N-])C1 1912155075 PHABXJRDPWMFKJ-MRVPVSSYSA-N 276.318 0.654 10 10 CCCE [N-]=[N+]=NCC1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 1912163899 PFRQBGZVAIRQMO-VHSXEESVSA-N 274.346 0.167 10 10 CCCE NC(=O)N1CC(NC(=O)CCc2ccc(N)cc2)C1 1917784470 AMLSEJGOQILWIQ-UHFFFAOYSA-N 262.313 0.081 10 10 CCCE Cc1ccc(O)c([C@H](C)N(CC(N)=O)CC(=O)O)c1 2136342076 SXLJKKFOMHXAEI-VIFPVBQESA-N 266.297 0.634 10 10 CCCE O=C(O)[C@H]1C[C@@H](O)CCN1Cc1c(O)cccc1F 2136393877 QZOZBAMEFAONNC-GZMMTYOYSA-N 269.272 0.941 10 10 CCCE CN1CCCc2cc(CNC[C@@H](O)C(N)=O)ccc21 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CN1CCCc2cc([C@@H](N)CS(=O)(=O)N(C)C)ccc21 2154696082 RBQPLLIMIGYUQI-ZDUSSCGKSA-N 297.424 0.960 10 10 CCCE C[C@H](NC(=O)c1cc(O)nc(O)c1)[C@H]1CCNC1 2026902032 SHMUBFLJSYULSP-YUMQZZPRSA-N 251.286 0.221 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@H](O)[C@H](F)C2)cc1 2031868167 YVQJSMZXEOSOAA-MNOVXSKESA-N 274.317 0.113 10 10 CCCE O=S1(=O)C[C@@H]2[C@@H](CCN2c2ccc(CO)cc2)C1 2033882356 XGHLKYUVQMOFFP-WCQYABFASA-N 267.350 0.802 10 10 CCCE COC(=O)NS(=O)(=O)N1CCC[C@@H](N=[N+]=[N-])CC1 2038001959 HZADZBWYMAPFRK-SSDOTTSWSA-N 277.306 0.752 10 10 CCCE CO[C@@H]1CN(C(=O)Cc2ccc(N)cc2)[C@@H]2COC[C@H]12 2158352804 JBICGIRGASNSGL-BFHYXJOUSA-N 276.336 0.684 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1C[C@H]2C[C@H](O)[C@H](O)[C@H]1C2 2173342538 CJLVJIPNSXORJM-HRHBAESBSA-N 279.292 0.054 10 10 CCCE O=C(NCc1ccccc1O)C1=NO[C@@]2(CCNC2)C1 687609184 PUCNKUOJPXMQJO-AWEZNQCLSA-N 275.308 0.517 10 10 CCCE COC[C@](C)(NC(=O)c1cccc(O)c1O)C(=O)O 381062171 NQOVFNSTBKEGBJ-LBPRGKRZSA-N 269.253 0.317 10 10 CCCE COC[C@](C)(N)C(=O)NCc1ccc(N(C)C)cc1 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CN1C(=O)O[C@H]2CN(C(=O)Nc3ccc(N)cc3)C[C@@H]21 2176936818 ZBMDDENPNIXMOI-QWRGUYRKSA-N 276.296 0.936 10 10 CCCE Nc1cc2c(cc1N1C[C@H]3C[C@H](O)[C@H]1C3)NC(=O)CO2 2177151935 FYUUCWMDSLPLRM-HFKOZYHYSA-N 275.308 0.559 10 10 CCCE CNCc1cc(F)c(N(C)[C@@H]2CC(=O)NC2=O)c(F)c1 2171191331 YAHQIVJYDYKWCM-SNVBAGLBSA-N 283.278 0.536 10 10 CCCE C[C@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1cccc(O)c1O 1293729664 LXCTXBCNEBYMCP-DTWKUNHWSA-N 299.348 0.745 10 10 CCCE O=C1NC[C@H]2CN(c3ccc4c(c3)CC[C@H]4O)CCN12 2184729636 LPOVEAFJYSGANU-GXTWGEPZSA-N 273.336 0.880 10 10 CCCE NCc1ccc(N2CC(=O)N3CCOC[C@H]3C2)cc1F 2185855293 KUJIRZVKKPFTBD-GFCCVEGCSA-N 279.315 0.332 10 10 CCCE CCc1cccc(CN[C@@H]2C[C@H](O)C[C@@H]2O)c1O 2046483606 NJLOZCFJQKADPX-XQQFMLRXSA-N 251.326 0.928 10 10 CCCE CO[C@@H]1C[C@@H](O)CN(c2ccc(CO)cc2F)C1 2046668242 ITIZMPDRORNELU-GHMZBOCLSA-N 255.289 0.904 10 10 CCCE COCC1([C@@H](NCCN=[N+]=[N-])C(N)=O)CC=CC1 2047684288 RAVSFJFWJHKLKB-VIFPVBQESA-N 253.306 0.723 10 10 CCCE C[C@H](c1cc(O)ccc1O)N1C[C@@H](N)C[C@@H](O)C1 2049120383 MFFBMBYXBAIHMM-WCABBAIRSA-N 252.314 0.553 10 10 CCCE Cc1cccc(CN[C@H]2CCO[C@H]2C(N)=O)c1O 2053780645 QXNQHDSPPKFUBU-CMPLNLGQSA-N 250.298 0.433 10 10 CCCE O=C(N[C@H]1CCN[C@H]1C1CC1)c1cc(O)c(O)c(O)c1 2196368987 SQDDAJCDZQVTOK-CABZTGNLSA-N 278.308 0.674 10 10 CCCE C[C@H](NCC(CO)(CO)CO)c1ccccc1O 2059275567 UJERRIHSIJSPJC-JTQLQIEISA-N 255.314 0.006 10 10 CCCE CO[C@@H]1CC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2068617367 INNFQJFBRURGBQ-GMSGAONNSA-N 253.254 0.711 10 10 CCCE Cc1nnc(NC(=O)c2cc(O)c(O)c(O)c2)nc1C 2188868550 STPKWGGDXGPARU-UHFFFAOYSA-N 276.252 0.858 10 10 CCCE CC(C)(C=CC(=O)O)NC(=O)c1cc(O)c(O)c(O)c1 2188867459 ASMXMEHDYZVRCV-UHFFFAOYSA-N 281.264 0.953 10 10 CCCE C[C@@](CN)(NC(=O)c1cc(O)c(O)c(O)c1)C(F)(F)F 2188909937 POKGGJMPPYNKSY-JTQLQIEISA-N 294.229 0.813 10 10 CCCE NC(=O)[C@@H]1[C@H]2CN(c3ccc(CO)c(Cl)c3)C[C@H]21 2081419459 WAYPHPUHSLDTHS-IAZYJMLFSA-N 266.728 1.000 10 10 CCCE CC[C@@H]1CC[C@@H](NC(=O)c2cc(O)nc(O)c2)CN1 2102260944 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C[C@@H]1CN(C(=O)c2cccc(O)c2O)CCCN1 2217967384 PCSUBTSOKQTZOF-SECBINFHSA-N 250.298 0.922 10 10 CCCE N[C@H]1CCCc2cc(N3CC[C@H]3[C@H](O)CO)ccc21 2270694955 LEQSPTBTBBTOTF-SOUVJXGZSA-N 262.353 0.955 10 10 CCCE COc1cc(N2C[C@@H](CO)[C@@H](O)C2)cc(OC)c1OC 2235141450 SYIXWYIPTCRCNC-ONGXEEELSA-N 283.324 0.502 10 10 CCCE COC(=O)[C@H](C)CS(=O)(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-] 2225791446 DFQRAXSWFHAUTI-VGMNWLOBSA-N 290.345 0.946 10 10 CCCE COc1ccc(N2C[C@H]3CS(=O)(=O)C[C@@H]3C2)c(C=O)c1 2236001820 AAAYIMMPKKMMKF-RYUDHWBXSA-N 295.360 0.989 10 10 CCCE C[C@H](NC(=O)C(C)(CO)CO)c1ccccc1O 2253570436 MOYCHZDGIVGXLW-VIFPVBQESA-N 253.298 0.560 10 10 CCCE Cc1cc(N2C[C@H](O)C[C@@H]2CO)ccc1[C@@H](C)N 2257458682 ULWYHYANPHJTTN-RAIGVLPGSA-N 250.342 0.947 10 10 CCCE Cc1cc(N2CC[C@H](O)[C@@H](O)C2)ccc1[C@H](C)O 2257479149 WZGDHQVQXZQYJD-BPNCWPANSA-N 251.326 0.980 10 10 CCCE O=[N+]([O-])c1cc(N2CC[C@H]2[C@H](O)CO)ccc1CO 2270681261 VHDQLSLZKIAEJK-CMPLNLGQSA-N 268.269 0.019 10 10 CCCE Oc1ccc(-c2noc([C@H]3CC[C@H](O)CN3)n2)cc1O 2279172706 OGKWVBVBKVSELB-DTWKUNHWSA-N 277.280 0.933 10 10 CCCE O=C(NC[C@H]1CC[C@@H](CO)CO1)c1cccc(O)c1O 2279438825 LQIDWLSZXUDUEW-VHSXEESVSA-N 281.308 0.615 10 10 CCCE COc1cc(N2CC3(CCC(=O)NC3)C2)ccc1CO 2280238302 UDJWPQZDIFSRKW-UHFFFAOYSA-N 276.336 0.904 10 10 CCCE COC(=O)C1(O)CN(c2ccc(OC)c(C)c2OC)C1 2295461246 QWYSATWRRZMVOB-UHFFFAOYSA-N 281.308 0.736 10 10 CCCE C[C@@H](N)c1ccc(N2CC3(CNC(=O)CO3)C2)cc1O 2289732103 ARWNHAPXXCSFNF-SECBINFHSA-N 277.324 0.117 10 10 CCCE CN[C@H](C)c1ccc(N2CC([C@H](O)CO)C2)cc1 2315166536 NPQBDTDSUSYJSB-QMTHXVAHSA-N 250.342 0.756 10 10 CCCE C[C@H]1C[C@](NCCN=[N+]=[N-])(C(N)=O)C[C@@H](C)S1(=O)=O 2352662636 QHUYDIZLGSJAGH-MBTKJCJQSA-N 289.361 0.096 10 10 CCCE C[C@H]1C[C@](NCCN=[N+]=[N-])(C(=O)O)C[C@@H](C)S1(=O)=O 2352679123 KDAHUFYJEJKZKQ-MBTKJCJQSA-N 290.345 0.695 10 10 CCCE Nc1ccc(CCNC(=O)[C@H]2CSC(=O)N2)cc1 63129884 CSAWFDAFNSLCPU-SNVBAGLBSA-N 265.338 0.753 10 10 CCCE COc1cccc(CN[C@H]2CCN(C)C2=O)c1O 120533479 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CN1CC[C@@H](NS(=O)(=O)Cc2ccc(N)cc2)C1 42544304 JPIPVIGTIIVOGT-GFCCVEGCSA-N 269.370 0.392 10 10 CCCE N[C@@H]1CCCc2cc(N3CC[C@@H](O)[C@H](O)C3)ccc21 2132139166 YHOHJLYNQYXABY-RBSFLKMASA-N 262.353 0.955 10 10 CCCE COc1ccc(N2CCN(CC[C@H](N)C(N)=O)CC2)cc1 62437584 CDCDWCPSXKWHQM-AWEZNQCLSA-N 292.383 0.020 10 10 CCCE OCc1cc(F)c(N2CC[C@@H]3C[C@H]2[C@@H](O)[C@@H]3O)c(F)c1 2357585213 JKABCRSPOCPBJR-MGNUUCGSSA-N 285.290 0.778 10 10 CCCE NS(=O)(=O)c1cc(F)cc(Br)c1O 307017304 VZWHVOIOVVZEJB-UHFFFAOYSA-N 270.079 0.941 10 10 CCCE COc1ccc([C@@H](C)NCCS(N)(=O)=O)c(O)c1 36744870 QAUCHSGWAGRZNT-MRVPVSSYSA-N 274.342 0.340 10 10 CCCE COC1CN(C[C@H](O)COc2ccc(N)cc2)C1 380730058 IBTBYZFVOXCFRG-NSHDSACASA-N 252.314 0.339 10 10 CCCE Oc1ccc(CNC[C@@H]2COCCO2)c(O)c1O 236586724 PAFYMFGDTIIPPH-SECBINFHSA-N 255.270 0.308 10 10 CCCE C[C@@]1(C(N)=O)CCN(c2ccc(CN)cc2F)C1 235404884 KVLYASYNJKQVDT-CYBMUJFWSA-N 251.305 0.986 10 10 CCCE C[C@@H]1CCN(CC(=O)c2ccc(O)c(O)c2)C[C@@H]1O 230274350 HMMROHLDOJKWGZ-RNCFNFMXSA-N 265.309 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260.253 0.878 10 10 CCCE C[C@@H](N)c1cc(F)c(N2C[C@@H](O)[C@@H](CO)C2)c(F)c1 1880925583 XVZQOZJOLPLFNC-JWKOBGCHSA-N 272.295 0.774 10 10 CCCE N=C1NC(=O)[C@@H](CC(=O)NCc2cc(O)ccc2O)S1 1153884974 IDJFUOYYKMTLAI-SECBINFHSA-N 295.320 0.270 10 10 CCCE C[C@H](NC(=O)Cc1ccc(O)c(O)c1)C1(CO)CC1 1470003058 DKZYHPCMFNQJMQ-VIFPVBQESA-N 265.309 0.918 10 10 CCCE O=C(O)Cc1cnc(-c2ccc(O)c(O)c2)nc1O 702787896 XJXUUPBXAYXTPK-UHFFFAOYSA-N 262.221 0.888 10 10 CCCE CN(C)CCN1CCN(c2ccc(CN)cc2F)CC1 61641616 SFMBQXZWPNWLDL-UHFFFAOYSA-N 280.391 0.968 10 10 CCCE CN1CCc2cc(CNCc3nnc(O)n3C)ccc21 709600975 OGHYHLCYNXHDPE-UHFFFAOYSA-N 273.340 0.803 10 10 CCCE Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NC(C(N)=O)C(N)=O 695319429 GPRVSHGHRMSGAS-YUMQZZPRSA-N 277.324 0.178 10 10 CCCE C[C@]1(C(=N)NO)CCN(C(=O)c2ccc(O)c(O)c2)C1 693861085 AVVKXFQTNHWXIA-ZDUSSCGKSA-N 279.296 0.906 10 10 CCCE CCN[C@H](C)c1ccc(N2CC(=O)NC(=O)C2)c(F)c1 97268934 HOPHYVBFLMXTNA-SECBINFHSA-N 279.315 0.959 10 10 CCCE CNCc1ccc(N2CC(=O)NC(=O)C2(C)C)cc1C 97316025 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Cc1cccc(O)c1[C@@H](NC[C@H]1CCCO1)C(N)=O 2104480853 YPRCCUSRUBDACM-ZWNOBZJWSA-N 264.325 0.996 10 10 CCCE Oc1ccc(CN[C@]23COC[C@H]2C3(F)F)c(O)c1O 2105564357 SKYBTECMQUAQAV-LDYMZIIASA-N 273.235 0.927 10 10 CCCE CN(C)c1ccc(CNC(=O)CC2(O)CNC2)cc1 2110636967 RXSPEKGUBOREBU-UHFFFAOYSA-N 263.341 0.093 10 10 CCCE COc1ccc(CN2C[C@@H](OC)C[C@H]2CN)c(O)c1 2090740094 WWDRTSMDRAETFX-AAEUAGOBSA-N 266.341 0.949 10 10 CCCE C[C@@H](N)c1ccc(N(CCO)CCN(C)C)cc1O 2099358084 WOSMUFGZHGJIIG-LLVKDONJSA-N 267.373 0.772 10 10 CCCE CO[C@@H]1CC(=O)N(CC(=O)Nc2ccc(N)cc2)C1 2112282010 ZDIJEEMSLATEBM-LLVKDONJSA-N 263.297 0.455 10 10 CCCE CC[C@]1(CO)COCCN1Cc1cc(N)ccc1O 2112708849 SMLNEZLPVAQJDK-AWEZNQCLSA-N 266.341 0.948 10 10 CCCE O=[N+]([O-])c1cc(CO)ccc1N1CC[C@@H](O)C[C@H]1CO 2200834228 VGZQNENBUMMQSZ-WDEREUQCSA-N 282.296 0.409 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CCCC[C@H](O)C3)ccc21 2112919672 XPPDJPQKYRWMSJ-GWCFXTLKSA-N 261.325 0.990 10 10 CCCE CN(CCN1CCOC1=O)Cc1cc(N)ccc1O 2114615200 YLGLCFXMDXXCGS-UHFFFAOYSA-N 265.313 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CSc1ncc(CNC[C@]2(O)CCNC2)s1 2243854684 HQRGBDJGIUXTPV-JTQLQIEISA-N 259.400 0.679 10 10 CCCE Cc1cc(N2C[C@@H](O)C[C@@H](O)C2)ccc1[C@H](C)N 2257459797 YJUKXLXJNJBPHG-WCFLWFBJSA-N 250.342 0.947 10 10 CCCE CCOC(=O)[C@@H](N)CNCc1cnc(SC)s1 2248686257 MNOQHYNDJPQLHR-QMMMGPOBSA-N 275.399 0.845 10 10 CCCE COc1ncc([C@@H](NCCCN=[N+]=[N-])C(N)=O)cn1 2266809541 MDWGNMJEDKYYOP-MRVPVSSYSA-N 265.277 0.302 10 10 CCCE CNC1(C(N)=O)CN(c2ccc(OC)c3c2CCC3)C1 2284529291 COTNFYVGFKCGQA-UHFFFAOYSA-N 275.352 0.447 10 10 CCCE COc1ccc(C=C2C(=O)NC(=O)N(C)C2=O)cc1OC 2297327026 DVMKIVJJMMQECB-UHFFFAOYSA-N 290.275 0.795 10 10 CCCE N[C@H]1CCc2cc(N3C[C@@H]4C[C@H]3[C@H](O)[C@H]4O)ccc21 2331551802 QCLPIYXDUHSAHT-IRKCQTEASA-N 260.337 0.563 10 10 CCCE C[C@H]1C[C@](NCCCN=[N+]=[N-])(C(N)=O)CN1C1CC1 123457213 PJBNSGPURKSOGF-JOYOIKCWSA-N 266.349 0.757 10 10 CCCE NC(=O)[C@@H](O)CNCc1cccc(Br)c1O 228609762 CDBZPQPDYSDKTG-QMMMGPOBSA-N 289.129 0.091 10 10 CCCE CC[C@H]1CNCC[C@@]1(NCCCN=[N+]=[N-])C(N)=O 229764811 DXOOCWGYMRXQGI-ONGXEEELSA-N 254.338 0.520 10 10 CCCE COc1ccc(N2CC(=O)NC(=O)C2)cc1Cl 49845097 KZCXEKJXBALCDB-UHFFFAOYSA-N 254.673 0.811 10 10 CCCE CC(=O)C(=O)COC(=O)c1cnc(-c2cnn(C)c2)s1 808516609 IJIWENXSNXHVQF-UHFFFAOYSA-N 293.304 0.859 10 10 CCCE CC(=O)C(=O)COC(=O)c1cc2c(C)nn(C)c2nc1C 808501110 HQDPKQYGDLVYPX-UHFFFAOYSA-N 289.291 0.900 10 10 CCCE CO[C@@]1([C@@H](NN)c2ccc3c(c2)CCN3C)CCOC1 2163140937 OWSKERXWKDBLHT-GJZGRUSLSA-N 277.368 0.989 10 10 CCCE COC(=O)[C@H]1CCC[C@@H](C(=O)OCC(=O)C(C)=O)C1 808525095 QZBRNCGDYWOUKX-VHSXEESVSA-N 270.281 0.667 10 10 CCCE CNC(=O)N1CCN(Cc2cc(N)ccc2O)CC1 721716607 NOZJIBDTCLMOIO-UHFFFAOYSA-N 264.329 0.431 10 10 CCCE CCN[C@@H](C)CCNC(=O)c1cc(O)c(O)c(O)c1 2132404273 QPXJAJFZKTUMPM-QMMMGPOBSA-N 268.313 0.921 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H]2CCN[C@H]2C1 2132404654 TZEUZYLUMOIVLQ-CBAPKCEASA-N 264.281 0.237 10 10 CCCE CO[C@@H]1CS(=O)(=O)C[C@H]1N(C)Cc1cc(C)ccc1O 697036907 NLAATVPMPZAXKN-TZMCWYRMSA-N 299.392 0.944 10 10 CCCE CN(C[C@H](O)C1CC1)c1ccc2c(c1)NC(=O)[C@@H]2N 690272772 GVVDMYYNONWSJE-QWHCGFSZSA-N 261.325 0.846 10 10 CCCE C[C@@H](NC(=O)c1cccc(O)c1O)C1(CN)CC1 696072031 DZNGAGRJXVFXEV-MRVPVSSYSA-N 250.298 0.955 10 10 CCCE COC(C)(C)CS(=O)(=O)NCc1ccc(O)cc1O 867416622 DOLFRBRHEDYGFQ-UHFFFAOYSA-N 289.353 0.942 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@H]3CC[C@@]3(N)C2)cc1 1876535644 SACJSWLRKNVPNX-DGCLKSJQSA-N 281.381 0.522 10 10 CCCE C[C@H](N)c1cc(F)c(N2CC(CO)(CO)C2)c(F)c1 1880925040 AIMVEMKEIGUESA-QMMMGPOBSA-N 272.295 0.776 10 10 CCCE COCCNC(=O)CNCc1ccc(OC)cc1O 134491062 BVSUZEDYEUZPNI-UHFFFAOYSA-N 268.313 0.253 10 10 CCCE Nc1ccc(N2CCN(C(=O)/C=C/C(=O)O)CC2)cc1 82689634 BKTBLFIKTZXBGV-AATRIKPKSA-N 275.308 0.558 10 10 CCCE C[C@H](c1cc(O)ccc1O)N(CC(=O)O)CC(=O)O 86773996 OYDUDNLLQUJULX-SSDOTTSWSA-N 269.253 0.630 10 10 CCCE OC[C@@]1(NCc2ccc(F)c(F)c2O)CCOC1 703215010 QPZQXFPKDTYPFU-LBPRGKRZSA-N 259.252 0.911 10 10 CCCE O=C(CNCc1c(O)cccc1F)N1CCOCC1 1964038342 GZRPDVOCUISVDF-UHFFFAOYSA-N 268.288 0.480 10 10 CCCE NC(=O)CC1CC(NCc2ccc(O)c(O)c2O)C1 718404146 KFESQJWKYRWBHM-UHFFFAOYSA-N 266.297 0.547 10 10 CCCE CC(C)N1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1=O 1298779760 GNKKJRXQUHQZMZ-UHFFFAOYSA-N 292.335 0.720 10 10 CCCE COc1ccc(CNC(=O)c2nsnc2O)c(O)c1 1296967766 GJEFDPJQTZYVCH-UHFFFAOYSA-N 281.293 0.888 10 10 CCCE CNCc1ccc(N2C[C@@H]3[C@H](CO)CO[C@H]3C2)cc1 2121592086 KQXRVEOQMICLCQ-YUELXQCFSA-N 262.353 0.850 10 10 CCCE O=C(NCc1ccc(O)cc1O)c1cc[n+]([O-])cc1 1626837922 KERMMRYFNWYKLE-UHFFFAOYSA-N 260.249 0.661 10 10 CCCE Cc1nnc(CNC(=O)Cc2ccc(O)c(O)c2)n1C 1637271669 OBNASVLVKFWZNG-UHFFFAOYSA-N 276.296 0.394 10 10 CCCE Cn1cc([C@@H](O)C(=O)NCc2ccc(O)cc2O)cn1 1638357835 VNTJKRYWIRPJMC-GFCCVEGCSA-N 277.280 0.181 10 10 CCCE C[C@@H]1CC(=O)NCCN1C(=O)Cc1ccc(O)c(O)c1 1633587424 PNEGSGJCTCYGBC-SECBINFHSA-N 278.308 0.377 10 10 CCCE NCc1ccc(N2C[C@@H]3C[C@H](C2)[C@@H](O)[C@@H]3O)cc1F 2126161253 HTETZAWAKLXYQZ-RDBQEKCUSA-N 266.316 0.462 10 10 CCCE CN1[C@@H](CNCc2ccc3c(c2)CCO3)CCS1(=O)=O 1965950006 SFZKBMYMCKNECL-CYBMUJFWSA-N 296.392 0.745 10 10 CCCE Nc1ccc(COc2cc(N)n3ncnc3n2)cc1 2128109489 PPHBMRKSMRDJGT-UHFFFAOYSA-N 256.269 0.868 10 10 CCCE CC(=O)N[C@@H](C)CNC(=O)COc1ccc(N)cc1 1860080593 KFVAMBNWGLKECG-VIFPVBQESA-N 265.313 0.288 10 10 CCCE CN(c1ccc(CO)c([N+](=O)[O-])c1)[C@@H]1COC[C@H]1O 2132057822 JCBLIJOSCPTDPS-VXGBXAGGSA-N 268.269 0.283 10 10 CCCE C[C@@H]1OCCO[C@H]1C(=O)N1CC[C@H](CN=[N+]=[N-])C1 1912179201 SALPFDAIDQQDTL-IVZWLZJFSA-N 254.290 0.949 10 10 CCCE NC(=O)CN(Cc1ccc(N)cc1)CC1(CO)CC1 1913931326 JJAZHXFGSGVELQ-UHFFFAOYSA-N 263.341 0.329 10 10 CCCE CON1CCN(c2cc3c(cc2F)[C@H](O)C(=O)N3)CC1 1915553617 COJUKAOIHKLVBF-LBPRGKRZSA-N 281.287 0.495 10 10 CCCE C[C@@H](CCO)N(C)c1ccc2c(c1)NC(=O)[C@@H]2O 1917100481 JZFIHZVBZDEUCU-QPUJVOFHSA-N 250.298 0.879 10 10 CCCE CN1CC(CN(CC(N)=O)Cc2ccc(N)cc2)C1 2134881020 FXSLHBPVRVNYGB-UHFFFAOYSA-N 262.357 0.118 10 10 CCCE O=C(NCc1ccccc1O)C1[C@H]2CS(=O)(=O)C[C@H]12 1969154702 QJHNPCLMXNMQCO-UWVGGRQHSA-N 281.333 0.299 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@H](O)C23CCC3)cc1 2136738385 GDWQHVAZMRXJBB-LBPRGKRZSA-N 282.365 0.698 10 10 CCCE C[C@H](N)c1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CF)cc1O 2140661673 IEDUKZOLBRAJNB-SLTJONPZSA-N 270.304 0.292 10 10 CCCE COC(=O)[C@@H](CN)c1ccc(O)c(CN(C)C)c1 1951989350 OPXOWLUXPICYLP-NSHDSACASA-N 252.314 0.669 10 10 CCCE CN[C@@H]1C[C@@H](C)N(C(=O)c2cc(O)nc(O)c2)C[C@H]1C 2149309207 KBJLHAVWAMYDRW-FXPVBKGRSA-N 279.340 0.951 10 10 CCCE NC(=O)COC1CN(c2ccc(C=CC(=O)O)cc2)C1 2145384354 YIZNXDJTQYDMCH-UHFFFAOYSA-N 276.292 0.475 10 10 CCCE NC(=O)CN(Cc1ccc(N)cc1)C(=O)[C@@H]1CCOC1 40941423 SFFSJBBLXUYXCJ-LLVKDONJSA-N 277.324 0.119 10 10 CCCE Nc1ccc(CS(=O)(=O)NC[C@H]2CCN2)cc1 2016970101 VYMVRYPPIBNTNZ-LLVKDONJSA-N 255.343 0.050 10 10 CCCE C[S@@](=O)(=NC(=O)c1ccc(O)c(O)c1)N1CCNCC1 2153865303 WSMVZMWTTJWNFH-HXUWFJFHSA-N 299.352 0.156 10 10 CCCE O=C(NC1CC(CCO)C1)c1cc(O)nc(O)c1 2030034309 ZQVQPOFUWCBKHD-UHFFFAOYSA-N 252.270 0.384 10 10 CCCE CN(CC(F)(F)CN)C(=O)c1cccc(O)c1O 2033575016 JHPSJWNFVRIAKI-UHFFFAOYSA-N 260.240 0.764 10 10 CCCE C[C@@H](c1c(O)cccc1O)N1CCOC[C@H](N)C1 2034714754 LECPJWIFVBCXLR-VHSXEESVSA-N 252.314 0.818 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3CC[C@H]3c3ncon3)ccc21 2160442904 RMVLYAKVIYBUNY-WDEREUQCSA-N 271.280 0.973 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CC[C@H]3c3ncon3)ccc21 2160442903 RMVLYAKVIYBUNY-QWRGUYRKSA-N 271.280 0.973 10 10 CCCE CN(CC(=O)N1CCNCC1)Cc1c(O)cccc1F 2160793659 LYRMIFXWCGIAFB-UHFFFAOYSA-N 281.331 0.395 10 10 CCCE O=C(O)[C@H]1CN(C(=O)NCc2ccccc2O)CCO1 2157021198 DBDJGKGBERCZCM-LLVKDONJSA-N 280.280 0.387 10 10 CCCE Nc1ccc(OCC(=O)NC[C@@H]2CCNC(=O)C2)cc1 2161577021 AFNJVVFIPAHJKB-SNVBAGLBSA-N 277.324 0.290 10 10 CCCE C[C@@H](CO)CN(C)CC(=O)Nc1ccc(N)cc1 688359704 XAFYRKOVMHFNMG-SNVBAGLBSA-N 251.330 0.768 10 10 CCCE O=C1NCC[C@H]1Oc1ccc(N2CCNCC2)cc1 691508461 JLQWZAQXQJCDIJ-CYBMUJFWSA-N 261.325 0.364 10 10 CCCE Cc1[nH]c(=NCc2cc(N)ccc2O)ccc1C(N)=O 380530547 TWFAKSAWTPKENP-UHFFFAOYSA-N 272.308 0.811 10 10 CCCE Nc1ccc(OCCC(=O)N2CCSC[C@@H]2CO)cc1 387562699 HFCFUDRHKVXTGO-LBPRGKRZSA-N 296.392 0.974 10 10 CCCE NC[C@H]1CN(C(=O)c2ccc(O)c(O)c2)CCS1 719982162 HBKTVAMWLKVXJJ-VIFPVBQESA-N 268.338 0.614 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3CC[C@@](C)(CO)C3)cc21 394440927 KLYVDLWAORLFEL-UKRRQHHQSA-N 275.352 0.872 10 10 CCCE CCc1cc([C@@H](NCCN=[N+]=[N-])C(N)=O)n(C)n1 2072276678 VFKMKLWUJVLQTR-SECBINFHSA-N 251.294 0.409 10 10 CCCE CN1CCN(c2ccc3c(c2)NC(=O)[C@@H]3O)[C@H]2CC[C@@H]21 2168386302 PROSHKJOJAVBBB-MELADBBJSA-N 273.336 0.955 10 10 CCCE C[C@@H]1CN(C(=O)c2cccc(O)c2O)C[C@@H](CCN)O1 2179377730 YBLIDTVNKKIFLX-NXEZZACHSA-N 280.324 0.676 10 10 CCCE C[C@H](c1ccccc1O)N(C)C(=O)CN1CC[C@@H](N)C1 2169280693 KCUZNALXWIFEIX-VXGBXAGGSA-N 277.368 0.945 10 10 CCCE N[C@H]1CCOC[C@@H]1c1nc(-c2ccc(O)c(O)c2)no1 2176115837 TUGRMCKUTDYSGO-IUCAKERBSA-N 277.280 0.979 10 10 CCCE O=C(NC[C@]1(O)C[C@H](C(=O)O)C1)c1ccc(O)c(O)c1 2179493816 GPPFTBCQLZXYRZ-XCSCGOTBSA-N 281.264 0.053 10 10 CCCE CCN(C(=O)c1cccc(O)c1O)[C@@H]1CCCNC1=O 2171243452 XBHJUKVWQLLKMB-SNVBAGLBSA-N 278.308 0.839 10 10 CCCE O=C(NO[C@@H](C(=O)O)C1CC1)c1cc(O)c(O)c(O)c1 2188868317 PFVBYKGRUXBTMH-SNVBAGLBSA-N 283.236 0.328 10 10 CCCE CN(C)S(=O)(=O)CCCN1CCc2cc(CN)ccc21 2189920168 QVJAPZAIURNPGT-UHFFFAOYSA-N 297.424 0.789 10 10 CCCE C[C@H]1C[S@@](=O)CCN1C(=O)c1ccc(O)c(O)c1 2051905850 PDOXEJJJGVMAIK-ASCAZGACSA-N 269.322 0.691 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN1CC(=O)N1CCCC1=O 2059052569 CVWWKOSETKGHNY-SECBINFHSA-N 251.290 0.910 10 10 CCCE CN([C@H]1CCNC1)S(=O)(=O)CCOc1ccc(N)cc1 2191541423 ZANSEKJBWCEBNG-LBPRGKRZSA-N 299.396 0.271 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@H]2C[C@H]3C[C@H]2C[C@@H]3N)cc1 2191784092 KEEREESWXDDPDI-XWUBHJNHSA-N 295.408 0.814 10 10 CCCE C[C@@H]1[C@@H]2CNC[C@H]2CN1S(=O)(=O)Cc1ccc(N)cc1 2191762131 YQUHMSUBCSQSAB-OSMZGAPFSA-N 295.408 0.638 10 10 CCCE OCCONCc1ccc(N2CCOCC2)cc1 2070154519 YFFQTVOPPJOXNT-UHFFFAOYSA-N 252.314 0.537 10 10 CCCE Nc1ccc(NC(=O)NC[C@@H](F)C2CNC2)cc1 2071564931 FWTFVFRPGDJABC-LLVKDONJSA-N 252.293 0.948 10 10 CCCE C[C@@]1(CNCc2ccc(O)c(O)c2)CCNC1=O 2080462924 YWMBQDMAEGHCPX-ZDUSSCGKSA-N 250.298 0.714 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC(F)(F)C[C@@H]1CO 2102780068 IDGOMXYWHVGBII-SSDOTTSWSA-N 274.223 0.335 10 10 CCCE COc1nc(NC(=O)C2=S=Nc3ccccc32)n[nH]1 2103701558 KRAYKDGTFMJFQO-UHFFFAOYSA-N 275.293 0.884 10 10 CCCE O=C(O)[C@@H]1[C@H]2OCCN(Cc3c(O)cccc3F)[C@H]12 2104492857 SVQJDKGBJJUHSQ-QJPTWQEYSA-N 267.256 0.815 10 10 CCCE COC1CN(S(=O)(=O)N(C)Cc2ccc(N)cc2)C1 2105626766 PUSUZILTSFUZJK-UHFFFAOYSA-N 285.369 0.276 10 10 CCCE Nc1ccc(CNS(=O)(=O)[C@H]2C[C@H](C(=O)O)C2)cc1 2106173395 NQTMKVNELDKPRB-HOMQSWHASA-N 284.337 0.551 10 10 CCCE Nc1ccc(Cc2nc(Cn3nccn3)no2)cc1 2096844414 YTBYVMGACWUSBP-UHFFFAOYSA-N 256.269 0.882 10 10 CCCE CN1CCN(C)[C@H](C(=O)N(C)c2ccc(N)cc2)C1 2099564435 RZVITULGWSKYSH-ZDUSSCGKSA-N 262.357 0.477 10 10 CCCE C[C@]1(O)CN(C(=O)CCc2ccc(N)cc2)CC[C@H]1O 2201491749 CTJCUEDTADDZOK-HIFRSBDPSA-N 278.352 0.546 10 10 CCCE CC(=O)c1ccc(O)c(CN2CC[C@@H](O)[C@@](C)(O)C2)c1 2201510574 FUFLWPIASYDLTA-CABCVRRESA-N 279.336 0.912 10 10 CCCE O=C(N[C@@H]1C[C@H]2CC[C@H]1[C@H](O)C2)c1cc(O)nc(O)c1 2204562626 GRTYFQFZLZBIPF-QCNRFFRDSA-N 278.308 0.772 10 10 CCCE O=C(N[C@@H]1CC2(CCC2)[C@H]1O)c1cc(O)c(O)c(O)c1 2205603985 KOXHIOLZAOATDV-PELKAZGASA-N 279.292 0.837 10 10 CCCE O=C1Nc2cc(N3Cc4cncnc4C3)ccc2[C@H]1O 2206194333 HHBHEJXFSYFNES-CYBMUJFWSA-N 268.276 0.982 10 10 CCCE CCn1c(O)nnc1NS(=O)(=O)Cc1ccc(N)cc1 2206332672 VJHSBCOCCKWWBM-UHFFFAOYSA-N 297.340 0.528 10 10 CCCE CSc1ncc(CNC(=O)[C@H]2NCCO[C@H]2C)s1 2256940465 BCOOQYCLICQGDS-CBAPKCEASA-N 287.410 0.858 10 10 CCCE CO[C@@H]1[C@@H](O)C[C@@H]1NCc1ccc(F)c(F)c1O 2258703806 UBFMJGYXGLGLMQ-AUTRQRHGSA-N 259.252 0.908 10 10 CCCE C[C@H](c1cc(F)ccc1O)N(C)CC1(O)CNC1 2259129097 ANIPKBSWGJJFKY-SECBINFHSA-N 254.305 0.858 10 10 CCCE OC[C@H]1CC[C@H](CNCc2ccc(O)c(O)c2)OC1 2264703676 JDNAUQIEUPFPOG-VXGBXAGGSA-N 267.325 0.975 10 10 CCCE CN(C(=O)N(CC(N)=O)Cc1ccc(N)cc1)C1CC1 2280616652 GQWRUWLKNHMNCU-UHFFFAOYSA-N 276.340 0.770 10 10 CCCE Cc1cc(N2CC3(C2)OC[C@H](O)[C@@H]3O)ccc1[C@H](C)O 2285160809 ODOUCYJBNFGUQO-BPNCWPANSA-N 279.336 0.359 10 10 CCCE NC(=O)C[C@H]1CCCN1CC(=O)Nc1ccc(N)cc1 2285543761 ULZYZSASHPDUNJ-GFCCVEGCSA-N 276.340 0.547 10 10 CCCE C[C@H](NC(=O)[C@@]12CCO[C@H]1CNC2)c1ccccc1O 2296450816 YGKJKYGSZGGHNF-VZJVUDMVSA-N 276.336 0.948 10 10 CCCE C[C@](O)(CNC(=O)c1cccc(O)c1O)CC(=O)O 126051347 MUFRZUVONRSTMC-GFCCVEGCSA-N 269.253 0.053 10 10 CCCE Nc1ccc(OC[C@H](O)CN2CCC[C@@H]2CO)cc1 48859925 KGAYEHHZVVGPFM-CHWSQXEVSA-N 266.341 0.465 10 10 CCCE CN1CCC[C@@H]1CNCc1ccc(O)c(O)c1O 226752373 LCQSILXOKORJSA-SNVBAGLBSA-N 252.314 0.987 10 10 CCCE CN(C[C@H]1CCCN1)C(=O)Cc1ccc(O)c(O)c1 1970306332 DXQXQULEZWLWHK-LLVKDONJSA-N 264.325 0.851 10 10 CCCE C[C@H](NCCNS(C)(=O)=O)c1cc(F)ccc1O 94617003 NPOTYDFSZBAPSG-QMMMGPOBSA-N 276.333 0.731 10 10 CCCE CSC[C@@](C)(O)CNC(=O)c1cc(O)nc(O)c1 230135561 OGIPEAOAFHIDIR-NSHDSACASA-N 272.326 0.337 10 10 CCCE CC(=O)N(C(=S)NCCCNC=O)c1ccc(N)cc1 243101973 JBTPDCRCMRQQQX-UHFFFAOYSA-N 294.380 0.632 10 10 CCCE CC(=O)C(=O)COC(=O)[C@H](C)n1nc(C)cc1C 808509257 OKLJKPIXFAECMN-VIFPVBQESA-N 252.270 0.762 10 10 CCCE CCOC(=O)N1CCC[C@@H](C(=O)OCC(=O)C(C)=O)C1 808500785 XZDZAKLOXAUUGL-SNVBAGLBSA-N 285.296 0.556 10 10 CCCE C[C@@H]1Cc2cc(N3CCC(N)(C(N)=O)CC3)ccc2O1 2162640620 STFXBPWJIXUNSA-SNVBAGLBSA-N 275.352 0.793 10 10 CCCE CC(=O)C(=O)COC(=O)[C@@H]1CCN(CC(F)(F)F)C1 808546170 CMRHVBPZLMPNSO-MRVPVSSYSA-N 281.230 0.572 10 10 CCCE CN(Cc1ccc(N(C)C)cc1)C(=O)CC1(O)CNC1 2166959593 PITRLCCQCJNRCG-UHFFFAOYSA-N 277.368 0.435 10 10 CCCE COC(C)(C)COC(=O)[C@H](N)Cc1ccc(O)c(O)c1 393638082 NBTDQCQXOKMEEN-SNVBAGLBSA-N 283.324 0.936 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@H]2C[C@]2(CO)C1 2132348052 COXJECZJKWEZRA-AMIZOPFISA-N 265.265 0.258 10 10 CCCE Cc1ccc(C(=O)N2CC3(CN(C)C(=O)O3)C2)c(O)c1O 817653381 YNHJZFYOEIQWNO-UHFFFAOYSA-N 292.291 0.683 10 10 CCCE C[C@@H](N)c1ccc(N2CCN(CC(N)=O)CC2)c(F)c1 723175127 GOMJZMJXQFTFDN-SNVBAGLBSA-N 280.347 0.453 10 10 CCCE COC(=O)CC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 912292359 LMLFSIVZXJCCGE-NSHDSACASA-N 292.335 0.953 10 10 CCCE COC(=O)[C@@H]1C[C@@H]1C(=O)NCc1c(O)cccc1F 928709604 JYKVUIPWJYSYCQ-JGVFFNPUSA-N 267.256 0.957 10 10 CCCE O=C(C[C@@H]1CCNC1=O)NCc1c(O)cccc1F 928712118 ZKDMMWDJOGGSJC-QMMMGPOBSA-N 266.272 0.674 10 10 CCCE COCc1n[nH]c(CNC(=O)c2cccc(O)c2O)n1 855517907 FRRFVHOGAJUSLX-UHFFFAOYSA-N 278.268 0.292 10 10 CCCE COc1ccc(N2C[C@H](O)C[C@H]2CO)c([N+](=O)[O-])c1 698167415 KWMCFSOMVQQWKS-DTWKUNHWSA-N 268.269 0.535 10 10 CCCE C[C@H](N)c1ccc(N2C[C@@H](O)C[C@@]2(C)CO)cc1O 698136998 ICPJDNGLCHAZKD-CHIMOYNISA-N 266.341 0.734 10 10 CCCE C[C@H]1CNCCN1C(=O)CCOc1ccc(N)cc1 1876452031 UVLFTNKYMGCDKZ-NSHDSACASA-N 263.341 0.858 10 10 CCCE Nc1ccc(OCC(=O)N[C@H]2CCNC[C@@H]2F)cc1 1876522580 CIAKCFAYMVRVSG-RYUDHWBXSA-N 267.304 0.464 10 10 CCCE Cn1ccc(=NC(=O)/C=C\c2ccc(O)c(O)c2)nc1O 1144329660 OLLYZLZQRSYSDF-HYXAFXHYSA-N 287.275 0.678 10 10 CCCE Nc1ccc(OCCS(=O)(=O)CC(=O)O)cc1 58262832 OGOAJBJLHHRCPH-UHFFFAOYSA-N 259.283 0.147 10 10 CCCE NCc1ccc(N2C[C@@H](CO)[C@@H](CO)C2)cc1Cl 704699420 OLDZIOYGKVLTKR-PHIMTYICSA-N 270.760 0.836 10 10 CCCE CN(CCS(C)(=O)=O)C(=O)CCc1ccc(N)cc1 94297223 DMWAEPGNQKLRIK-UHFFFAOYSA-N 284.381 0.704 10 10 CCCE CNC(=O)c1ccc(NCc2cc(N)ccc2O)nn1 95013823 SQVRYVHUEDNAFG-UHFFFAOYSA-N 273.296 0.736 10 10 CCCE CN(C)C[C@@H]1C[C@H](O)CN1C(=O)Nc1ccc(N)cc1 97248559 DECJQUKCPAVASB-STQMWFEESA-N 278.356 0.798 10 10 CCCE COc1ccc(N2CCN3C(=O)CNC[C@H]3C2)cc1 216408799 NFOJXPKIMRSQGH-LBPRGKRZSA-N 261.325 0.316 10 10 CCCE COc1ccc(N2[C@H](CO)C(=O)NCC2(C)C)cc1 217091137 CFIYSTQUJOHMHQ-GFCCVEGCSA-N 264.325 0.771 10 10 CCCE Nc1ccc(CC(=O)N2C[C@H]3NC(=O)O[C@@H]3C2)cc1 2120406178 PSZITSWIFACSQH-GHMZBOCLSA-N 261.281 0.131 10 10 CCCE O=C(CN1C[C@H]2C[C@@H](O)[C@H]1C2)c1ccc(O)c(O)c1 2120639073 JDUUJDBMAUQLSE-HLUHBDAQSA-N 263.293 0.736 10 10 CCCE CN(C)C(=O)C1CN(C(=O)c2ccc(O)c(O)c2)C1 2121045354 NHSVELPCTURDHN-UHFFFAOYSA-N 264.281 0.258 10 10 CCCE O=S1(=O)C[C@H](O)[C@@H](N[C@H]2CCc3cccc(O)c32)C1 2121382900 FXNYZTLBNCXGPJ-NHCYSSNCSA-N 283.349 0.127 10 10 CCCE Cc1ccc(C(=O)N2CC(N[C@H]3CCOC3)C2)c(O)c1O 1635941668 NEOXBYUROOOBPE-JTQLQIEISA-N 292.335 0.609 10 10 CCCE Cn1ncc(C(=O)N2Cc3cccc(O)c3C2)c1N 1632709396 VXJILDMEHCAQEQ-UHFFFAOYSA-N 258.281 0.864 10 10 CCCE C[C@H](NC(=O)[C@@H]1CC(=O)NC(=O)N1)c1ccccc1O 1643745275 KFGPHWFYGORSSP-CBAPKCEASA-N 277.280 0.168 10 10 CCCE CS(=O)(=O)NC1CN(c2ccc3c(c2)CC[C@H]3O)C1 2128321833 KUIOUQIOEOQDNE-CYBMUJFWSA-N 282.365 0.404 10 10 CCCE NC1(C(=O)NCc2ccccc2O)CCOCC1 166202374 CIGVGKKCRSENQO-UHFFFAOYSA-N 250.298 0.516 10 10 CCCE OC[C@H]1C[C@H](O)CN1c1ccc2c(c1)CCC[C@@H]2O 2128279373 OTSWLCIYIPAVCB-IPYPFGDCSA-N 263.337 0.988 10 10 CCCE COC(=O)C[C@@H](O)CNCc1ccc2c(c1)CCO2 258722745 GKLMHNNCEHQRBH-GFCCVEGCSA-N 265.309 0.635 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCN(S(=O)(=O)C2COC2)C1 1912171053 FXLIYRZGZVHNGB-QMMMGPOBSA-N 260.319 0.737 10 10 CCCE [N-]=[N+]=NC1CN(C(=O)CNC(=O)c2ccccc2)C1 1912154815 JARLUMAVIKXEAB-UHFFFAOYSA-N 259.269 0.938 10 10 CCCE Cc1cccc(CNC(=O)C[C@H]2COC[C@H]2N)c1O 2139759960 MORYSODCOXDIGO-NWDGAFQWSA-N 264.325 0.681 10 10 CCCE CN(C[C@@H](O)COc1ccc(N)cc1)CC1(CO)CC1 1915530141 FYJDTWMFYYPIRQ-CYBMUJFWSA-N 280.368 0.713 10 10 CCCE CN(C[C@H](O)COc1ccc(N)cc1)CC1(CO)CC1 1915530142 FYJDTWMFYYPIRQ-ZDUSSCGKSA-N 280.368 0.713 10 10 CCCE CC(=O)C(=O)[C@@H](O)c1ccc(OCCN(C)C)cc1 1919044192 GVEPLUIAFBRQME-AWEZNQCLSA-N 265.309 0.819 10 10 CCCE Nc1ccc(CCC(=O)Nc2ccc(=O)[nH]n2)cc1 227880350 PIDRORMEOMUMOJ-UHFFFAOYSA-N 258.281 0.923 10 10 CCCE CC[C@H](O)c1ccc(N2C[C@H](O)[C@H](O)[C@H]2CO)cc1 2136282283 AAAJWXPJCBSTJJ-ZOBORPQBSA-N 267.325 0.033 10 10 CCCE CC[C@H](N)CC(=O)NCCc1ccc(O)c(O)c1 1968739313 OFRKMXPQOVQLKG-JTQLQIEISA-N 252.314 0.884 10 10 CCCE NCc1csc(NC(=O)c2cc(O)c(O)c(O)c2)n1 2137268030 LDSZLNNIEKUWLX-UHFFFAOYSA-N 281.293 0.971 10 10 CCCE COc1cc(N2CC(OCCCO)C2)ccc1CN 2141970114 SYGDMTKVCKYHTD-UHFFFAOYSA-N 266.341 0.742 10 10 CCCE NC(=O)c1cccc(N)c1N[C@H]1CCC[C@@H](C(N)=O)C1 2146208563 PUIYXLMSYKKJKT-BDAKNGLRSA-N 276.340 0.824 10 10 CCCE Nc1ccc(OC[C@H](O)CN(CCO)C2CC2)cc1 42478434 LWFVFKOOGGLTFG-CYBMUJFWSA-N 266.341 0.465 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3CC[C@H](O)[C@@H](F)C3)ccc21 2144570509 DGFNNJRUKMQLFQ-DRZSPHRISA-N 279.315 0.808 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CCn4nccc4C3)ccc21 2144736119 ZDSKMWYJDQRWAP-ZDUSSCGKSA-N 269.308 0.855 10 10 CCCE Nc1ccc(O)c(CNc2ccc(S(N)(=O)=O)cn2)c1 37671394 NZTXAJMLMBOUDF-UHFFFAOYSA-N 294.336 0.629 10 10 CCCE CN[C@@H](COC)[C@@H](O)c1ccc2c(c1)CCN2C 2030701866 MBVZBYMEEDEIFY-JSGCOSHPSA-N 250.342 0.947 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC3(CC3)C[C@H]2CO)cc1 2155390451 KGNGHYZFFJUOJS-ZDUSSCGKSA-N 296.392 0.945 10 10 CCCE COC[C@H](N[C@@H](C)c1c(O)cccc1O)C(N)=O 2034942392 YXCFPUCVXMYTJP-YUMQZZPRSA-N 254.286 0.249 10 10 CCCE Nc1ccc(CC(=O)N[C@@H]2COCC[C@H]2C(=O)O)cc1 2159038065 WXQQJUDBBFUGCF-VXGBXAGGSA-N 278.308 0.417 10 10 CCCE CN(Cc1cnnn1C)c1ccc2c(c1)NC(=O)[C@H]2N 2156469557 PSMGTOOXGYEGLO-LBPRGKRZSA-N 272.312 0.403 10 10 CCCE COC[C@H](CCNCc1ccc(O)c(O)c1O)OC 710671929 ZVZGQDAOKKTISA-JTQLQIEISA-N 271.313 0.945 10 10 CCCE CCN[C@@H](C)[C@H](NC(=O)c1cc(O)nc(O)c1)C1CC1 2176014168 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COc1ccc(N2CC(=O)N(C)[C@@H](C(=O)O)C2)cc1 217061826 QKUSWCVSQZYYIB-LLVKDONJSA-N 264.281 0.427 10 10 CCCE CN(C(=O)c1ccoc1CC(N)=O)c1cnn(C)c1 1618238920 FEMBGFWXQNHLLM-UHFFFAOYSA-N 262.269 0.318 10 10 CCCE O=C(N[C@@H](CO)[C@@H](O)c1cccnc1)c1cc(O)cs1 1642581159 ZNQCACVVEDYYCH-JQWIXIFHSA-N 294.332 0.673 10 10 CCCE CNC(=O)NCCCNCc1cc2c(cc1O)OCO2 1964612186 SAZNICDGAJRWAQ-UHFFFAOYSA-N 281.312 0.530 10 10 CCCE CCn1nncc1S(=O)(=O)N(C)Cc1ccccc1O 1965751216 CCAOBQPEDKNZAJ-UHFFFAOYSA-N 296.352 0.824 10 10 CCCE NC1C[C@@H]2CN(C(=O)c3ccc(O)c(O)c3)C[C@H]2C1 2128759971 STDSMIFUEKITNQ-NXEZZACHSA-N 262.309 0.907 10 10 CCCE Nc1ccc(CC(=O)NC[C@@H]2C[C@H]3NCC[C@@H]23)cc1 2140731873 QVXCEIKWMNQRLL-FPMFFAJLSA-N 259.353 0.926 10 10 CCCE CC(C)(O)COCCNCc1cc2c(cc1O)OCO2 1967716048 KXWBBKFZHXTKCZ-UHFFFAOYSA-N 283.324 0.998 10 10 CCCE C[C@H]1CN(CC(=O)Nc2ccc(N)cc2)CCN1C 110699693 WQHROPXSXWOALG-NSHDSACASA-N 262.357 0.843 10 10 CCCE NC(=O)CN1CCC(NCc2cc(F)ccc2O)CC1 226584080 SWHYJFRXYONMOL-UHFFFAOYSA-N 281.331 0.571 10 10 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CNC(=O)NC(=O)CCN1CCC[C@@H]1CN=[N+]=[N-] 2059052349 AHSZCDTVAMOSRF-MRVPVSSYSA-N 254.294 0.607 10 10 CCCE C[C@@H]1[C@@H](O)CN1c1cc2c(cc1Cl)[C@@H](N)C(=O)N2 2062244565 JCIOVWAUWLMCDH-KLDFYJGESA-N 267.716 0.861 10 10 CCCE C[C@@H](CC(=O)O)NC(=O)c1cc(O)c(O)c(O)c1 2068568778 ZPVDRATYBOWZMJ-YFKPBYRVSA-N 255.226 0.396 10 10 CCCE O=C(NCc1nnc(O)o1)c1cccc(O)c1O 2081290760 QQDCFBKCYPQHAB-UHFFFAOYSA-N 251.198 0.116 10 10 CCCE CC1(C)[C@@H](O)CN1c1cc2c(cc1N)OCCO2 2081489194 AYNSLLYCNCRAEW-LBPRGKRZSA-N 250.298 1.000 10 10 CCCE CN(C)C1(C)CN(S(=O)(=O)Cc2ccc(N)cc2)C1 2104359879 CPXHQWYJAYSKTH-UHFFFAOYSA-N 283.397 0.735 10 10 CCCE O=C(N[C@@]12COC[C@@H]1C2(F)F)c1ccc(O)c(O)c1 2105563103 ORGMLXHQYDGNRC-ONGXEEELSA-N 271.219 0.862 10 10 CCCE CN1CCc2cc([C@](C)(O)C3CS(=O)(=O)C3)ccc21 2106796041 MYDVUBFHYDNIQQ-AWEZNQCLSA-N 281.377 0.931 10 10 CCCE C[C@]12CN(C(=O)c3ccc(O)c(O)c3)C[C@]1(CO)C2 2109181184 FBKLEXRAGPSFIR-KBPBESRZSA-N 263.293 0.942 10 10 CCCE CO[C@@H](C)CCN(CC(N)=O)Cc1ccc(N)cc1 2109245063 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285.271 0.083 10 10 CCCE C[C@H](N)c1ccc(N2CC[C@@H]([C@@](C)(O)CO)C2)cc1O 2202842196 CHJJMPVWFQVGGE-RWSFTLGLSA-N 280.368 0.982 10 10 CCCE N[C@@H]1C(F)(F)C12CC(NC(=O)c1cc(O)nc(O)c1)C2 2207114812 TYBMWFCZJQFOJZ-JEWWZCJESA-N 285.250 0.348 10 10 CCCE O=C(N[C@H]1CNC[C@@H](F)C1)c1cccc(O)c1O 2219138247 HZTTXEYCGFHZAD-JGVFFNPUSA-N 254.261 0.528 10 10 CCCE COc1cc(N2C[C@H]3COC[C@]3(CO)C2)ccc1CN 2234560103 UDSWHFJTUBOQRK-SWLSCSKDSA-N 278.352 0.599 10 10 CCCE COc1ccc(N2[C@H]3CC[C@H]2[C@H](O)[C@@H](O)C3)c(CN)c1 2235956660 YSPCDOUBLRHRTF-HJPIBITLSA-N 278.352 0.617 10 10 CCCE COc1ccc(N2CC[C@H]3C[C@H]2[C@H](O)[C@@H]3O)c(CN)c1 2235974751 YXLGMCNMEWGCPK-JVOAXRGISA-N 278.352 0.474 10 10 CCCE N=c1nnc(OC[C@]23CCCC[C@H]2NCCC3)n[nH]1 2226139020 NRSFTCNQYJFPGP-BXKDBHETSA-N 264.333 0.370 10 10 CCCE COc1cc(N2C[C@@H](CO)C[C@@H](CO)C2)ccc1CN 2236647239 ZMWSBBZLWRRIOD-TXEJJXNPSA-N 280.368 0.581 10 10 CCCE OC[C@@H]1NC[C@H]2CN(Cc3ccc(O)cc3O)C[C@H]21 2227301290 CDBMYPXJTMVPFJ-UHTWSYAYSA-N 264.325 0.110 10 10 CCCE CSc1ncc(CNC[C@@]2(CO)CCNC2)s1 2248745357 PJOJRZJWNUBAPY-LLVKDONJSA-N 273.427 0.927 10 10 CCCE CO[C@@H]1[C@@H](O)C[C@H]1NCc1ccc(F)c(F)c1O 2258703808 UBFMJGYXGLGLMQ-PTRXPTGYSA-N 259.252 0.908 10 10 CCCE COc1cc(C)c(N2C[C@@H](N)C[C@@H](C(N)=O)C2)c(C)c1 2285050486 XNYFMRQRZKXUMX-NEPJUHHUSA-N 277.368 0.951 10 10 CCCE NC[C@]12CCO[C@@H]1CN(C(=O)c1cccc(O)c1O)C2 2296385587 UBHRZQVBGHXJKO-RISCZKNCSA-N 278.308 0.288 10 10 CCCE COCC1(O)CN(c2c(OC)cc(OC)cc2OC)C1 2287122543 BOZRIVINULDZQK-UHFFFAOYSA-N 283.324 0.910 10 10 CCCE CC(C)[C@H](NC(=O)C=Cc1ccc(O)c(O)c1)C(N)=O 2308001169 FYKRBBDZYVWAIU-ZDUSSCGKSA-N 278.308 0.737 10 10 CCCE CO[C@@H]1[C@@H](O)C[C@@H]1N[C@H](C)c1cc(O)ccc1O 2313160007 LRAGMPFLYWYGLU-PXMUGDLCSA-N 253.298 0.897 10 10 CCCE NCc1ccc(N2C[C@@H]3CS(=O)(=O)[C@H]3C2)cc1F 2314961942 CPZUYDYYHHQCIJ-SKDRFNHKSA-N 270.329 0.518 10 10 CCCE CS(=O)(=O)[C@@H]1CC[C@H]1NCc1ccc(O)c(O)c1 2319829395 SJBHVGFYGJSYON-BXKDBHETSA-N 271.338 0.763 10 10 CCCE C[C@@H](N)c1cc(F)c(N2CC([C@@H](O)CO)C2)c(F)c1 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2162702204 LYVIMOVMANEWIG-CYBMUJFWSA-N 279.340 0.378 10 10 CCCE CN(c1ccc2c(c1)NC(=O)[C@@H]2N)C1CC(C(N)=O)C1 723161338 PAHSOKIJEJNSAM-YHBRXECLSA-N 274.324 0.339 10 10 CCCE O=C(O)C[C@H](NC(=O)c1cc(O)nc(O)c1)C(F)F 725078316 XCFGYXWWNCKPFM-YFKPBYRVSA-N 276.195 0.331 10 10 CCCE CCC(=O)N1CCC[C@H](C(=O)OCC(=O)C(C)=O)C1 808506621 OAAQGZXLUUZUBA-JTQLQIEISA-N 269.297 0.336 10 10 CCCE C/C=C\[C@H](O)C(=O)NCc1cc(OC)ccc1O 901131435 MEAAOORJNHKOKX-MVZIDQBPSA-N 251.282 0.954 10 10 CCCE COc1ccc(O)c(CN2CC(O)([C@H](F)C(=O)O)C2)c1 1875538820 NGRMPHRQKHYLCM-LLVKDONJSA-N 285.271 0.370 10 10 CCCE C[C@H]1C[C@H](N)CN(S(=O)(=O)Cc2ccc(N)cc2)C1 1876160886 BIDWATYPEATNAZ-GWCFXTLKSA-N 283.397 0.768 10 10 CCCE COc1cccc(O)c1CN1CCn2c(O)nnc2C1 776519613 ALJCJNNCRFUEBO-UHFFFAOYSA-N 276.296 0.714 10 10 CCCE CCOC(=O)c1cccc(N)c1N[C@H]1CNC[C@H]1O 1876503716 LPMGEKMIQLUQNY-WDEREUQCSA-N 265.313 0.190 10 10 CCCE Nc1ccc(CS(=O)(=O)NC2CCC(N)CC2)cc1 1876525384 LAMUEBDXDXUQIB-UHFFFAOYSA-N 283.397 0.958 10 10 CCCE COC(=O)C1(O)CN(Cc2cc(F)cc(F)c2O)C1 895468871 WREWGSRSROZNNS-UHFFFAOYSA-N 273.235 0.390 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@]1(N)C[C@@H](CO)C1 1879668705 UPORLFKKDRBRDU-WJONMLJTSA-N 264.325 0.450 10 10 CCCE CN(C)C(=O)OCCCNC(=O)c1cccc(O)c1O 1963864408 KAENXUHALLIGJQ-UHFFFAOYSA-N 282.296 0.916 10 10 CCCE CCc1nnc([C@H](N)c2ccc(O)c(O)c2O)o1 83384253 VHSISLUEFZKVPR-MRVPVSSYSA-N 251.242 0.797 10 10 CCCE Cc1cnc([C@@H]2NCCc3cccc(O)c32)c[n+]1[O-] 83660095 SZYJVOYQYSVFLM-AWEZNQCLSA-N 257.293 0.964 10 10 CCCE CCOC(=O)C(COC)(COC)NCCN=[N+]=[N-] 702601110 ZRNBGSGBMSBPQA-UHFFFAOYSA-N 260.294 0.481 10 10 CCCE CCS(=O)(=O)CC(=O)NCc1cc(O)ccc1O 1176748096 JPLDGUKRTFFYNJ-UHFFFAOYSA-N 273.310 0.149 10 10 CCCE C=CC(=O)N(C)CC(=O)NCc1c(O)cccc1F 1178412633 CFQGQKLEKUOVGC-UHFFFAOYSA-N 266.272 0.792 10 10 CCCE CN1CC[C@@H](COC(=O)COc2ccc(N)cc2)C1=O 692688172 QRVLUXGNTZPLMC-JTQLQIEISA-N 278.308 0.669 10 10 CCCE O=CN1CCCN(C(=O)c2c(F)ccc(O)c2O)CC1 1182440642 LXIMUHPLNYXALQ-UHFFFAOYSA-N 282.271 0.541 10 10 CCCE COc1cccc(CNC[C@H](O)CN(C)C)c1O 717359939 NTURVRUEOGYGMY-NSHDSACASA-N 254.330 0.413 10 10 CCCE COC[C@H](CCNC(=O)c1cccc(O)c1O)OC 694455879 ORMARIYWKARSRU-VIFPVBQESA-N 269.297 0.879 10 10 CCCE COc1ccc(CN[C@@H]2CCC(=O)NC2=O)cc1C 89756007 YAHAAOTYMYIXLG-LLVKDONJSA-N 262.309 0.898 10 10 CCCE Cc1cc(N2CCN3C(=O)NC[C@H]3C2)ccc1CN 91754448 JQEKDPJCQKPHFU-ZDUSSCGKSA-N 260.341 0.668 10 10 CCCE C[C@@H]1CN2CCN1C[C@H]2C(=O)NCc1c(O)cccc1F 1349385467 ZRCHDHWOSIFTHX-MFKMUULPSA-N 293.342 0.536 10 10 CCCE O=C(CCc1nc[nH]n1)NCc1c(O)cccc1F 1354281417 HVPFEAOMLKUOJK-UHFFFAOYSA-N 264.260 0.898 10 10 CCCE COc1ccc(CNC(=O)c2nc3ncccn3n2)c(O)c1 1448375474 UCAFIPIZSIVELE-UHFFFAOYSA-N 299.290 0.769 10 10 CCCE CCn1ncc(CNCc2ccc(O)c(O)c2O)n1 2115800662 AFEKCOUHKXUJAC-UHFFFAOYSA-N 264.285 0.705 10 10 CCCE COc1ccc(N2CCNC[C@H]2CC(=O)O)cc1 214567780 SODXSTUPVXBRMD-LLVKDONJSA-N 250.298 0.948 10 10 CCCE Cn1cccc1C(=O)C(=O)NCc1cc(O)ccc1O 1471661171 IVGYFPIHYYMGKT-UHFFFAOYSA-N 274.276 0.935 10 10 CCCE 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CCN(C)C(=O)CNC(=O)[C@@H]1CNc2ccccc2N1 220157785 JCOCFTPJDRVWJO-LBPRGKRZSA-N 276.340 0.487 10 10 CCCE Nc1ccc(CO[C@H]2CC(CO)(CO)C[C@@H]2O)cc1 2141459790 AXVQIZUUHINOJP-STQMWFEESA-N 267.325 0.280 10 10 CCCE CN1CC[C@@H](CNC(=O)c2ccc(O)c(O)c2)C1 227020549 PDFJTIYDPKAIIK-VIFPVBQESA-N 250.298 0.779 10 10 CCCE CCCc1c(C(=O)CC(=O)C(C)=O)nnn1CC 1923542627 FNKUDDMTLNJUDE-UHFFFAOYSA-N 251.286 0.981 10 10 CCCE CN(C)[C@@H]1COC[C@H]1CNC(=O)c1cccc(O)c1O 1924698624 YPBJOTFDDQEAOM-MWLCHTKSSA-N 280.324 0.404 10 10 CCCE COCCNC(=O)[C@H](C)NC(=O)Nc1ccc(N)cc1 229192373 FTOONMSYHVJYGA-VIFPVBQESA-N 280.328 0.541 10 10 CCCE CN(Cc1ccccc1O)CC1(O)CCNCC1 1968856654 AJWHVRLHVNVOSI-UHFFFAOYSA-N 250.342 0.939 10 10 CCCE CNC(=O)[C@@H](C)CN(C)CC(=O)Nc1ccc(N)cc1 234356585 IYBQPDGPGJBIGJ-JTQLQIEISA-N 278.356 0.521 10 10 CCCE C[C@H](NC(=O)c1ccn(-c2ccc(N)cc2)n1)C(N)=O 35791650 YWXDAUUDHHCVPA-QMMMGPOBSA-N 273.296 0.058 10 10 CCCE Nc1ccc(OCC(=O)N[C@@H]2CN3CCC2CC3)cc1 40294267 KGHCURMDDJGYSA-CQSZACIVSA-N 275.352 0.858 10 10 CCCE CS(=O)(=O)COC(=O)COc1ccc(N)cc1 1999963422 KQEJVXOQKCYDAN-UHFFFAOYSA-N 259.283 0.193 10 10 CCCE CO[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H](CN)C1 167211463 MHNAMLSNRATYGM-VHSXEESVSA-N 281.312 0.071 10 10 CCCE CN1CCOC[C@H]1C(=O)NCCOc1ccc(N)cc1 2155739163 HQWWOJGDQHVIMD-ZDUSSCGKSA-N 279.340 0.094 10 10 CCCE NC(=O)C(F)(F)CNC(=O)Nc1ccc(N)cc1 2029283949 OHEGQMBQDGYSPA-UHFFFAOYSA-N 258.228 0.511 10 10 CCCE COC1(CO)CN(c2cc3c(cc2F)[C@H](O)C(=O)N3)C1 2157309026 ZYEGUCYYKMYZEO-NSHDSACASA-N 282.271 0.009 10 10 CCCE COc1ccc(CNC[C@@H]2CCS2(=O)=O)c(O)c1 2033299393 FWWARIYLFMVZHJ-NSHDSACASA-N 271.338 0.678 10 10 CCCE Nc1ccc(-n2ccc(C(=O)N[C@@H]3C[C@@H]3CO)n2)cc1 2157504109 PJTXWQNSYXINKV-NOZJJQNGSA-N 272.308 0.565 10 10 CCCE CNCc1ccc(N2CC[C@](O)(C(N)=O)C2)c(Cl)c1 311840951 MPASMLHLUQBUHY-CYBMUJFWSA-N 283.759 0.486 10 10 CCCE CNCc1ccc(N2C[C@H](O)[C@@H](CO)C2)cc1Cl 316310633 KSLKWPJAYPAFAI-MFKMUULPSA-N 270.760 0.849 10 10 CCCE NC(=O)N[C@@H]1CCCN(C(=O)Cc2ccc(N)cc2)C1 702131742 LVWQUXDQUXEHHB-GFCCVEGCSA-N 276.340 0.471 10 10 CCCE CN(C)c1nc(CN2CCC[C@H]2CN=[N+]=[N-])nc(=N)[nH]1 2179619668 USDIVMIMIQGRNX-QMMMGPOBSA-N 277.336 0.625 10 10 CCCE O=S1(=O)CC(NCc2ccc3c(c2)CCO3)C1 380191935 ZQAFPLIYHBJTCK-UHFFFAOYSA-N 253.323 0.508 10 10 CCCE CC[C@@H](NS(=O)(=O)Cc1ccc(N)cc1)[C@H](C)O 386700188 MTVBMPKGSPZMJW-JOYOIKCWSA-N 272.370 0.848 10 10 CCCE CONCCCNC(=O)CCc1ccc(N)cc1 2071725068 PZRXBLVTUMUYPD-UHFFFAOYSA-N 251.330 0.859 10 10 CCCE COc1cccc(O)c1CN[C@@]1(C)CCC(=O)NC1=O 2172840549 XSFVREPDZSKVQV-AWEZNQCLSA-N 278.308 0.686 10 10 CCCE Nc1ccc(OCCNC(=O)c2cc(O)ncn2)cc1 2165793164 IGTCPJHBSASGBS-UHFFFAOYSA-N 274.280 0.573 10 10 CCCE O=C(NC[C@@H]1Cc2nncn2C1)c1cccc(O)c1O 2167732909 UPYRVRPHPBTIEA-QMMMGPOBSA-N 274.280 0.292 10 10 CCCE CCCS(=O)(=O)NCCc1ccc(O)c(O)c1 1253727750 SPNIFSQXAUTRJF-UHFFFAOYSA-N 259.327 0.970 10 10 CCCE CCN(Cc1cnnn1C)C(=O)c1cccc(O)c1O 2196716082 HBMQDFYYRINIQA-UHFFFAOYSA-N 276.296 0.889 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@H]2[C@@H](O)CC[C@H]2C1 2188867547 CMJKIVOSDYTSGE-SFGNSQDASA-N 279.292 0.646 10 10 CCCE C[C@H]1[C@@H](N(C)C)CCN1C(=O)c1cc(O)c(O)c(O)c1 2188868216 NNZZELIOVNAPBE-WPRPVWTQSA-N 280.324 0.968 10 10 CCCE Nc1ccc(CC(=O)N2C[C@@H]3C[C@H](C2)[C@@H](O)[C@@H]3O)cc1 2182525800 IGHKGDSPOBMHQS-BAESOJJISA-N 276.336 0.011 10 10 CCCE N[C@H]1CCc2cc(N3C[C@H]4C[C@@H](O)[C@H](O)[C@H]3C4)ccc21 2184739039 BBXIEPKDSQSDOR-NAXVBUTDSA-N 274.364 0.953 10 10 CCCE COc1cccc(O)c1[C@@H](NCCCO)C(=O)O 2042578656 CMJMHIJDKOTIPF-LLVKDONJSA-N 255.270 0.499 10 10 CCCE COc1ccc(N2C[C@H]3C[C@H]2[C@H](O)[C@H]3O)c(N)c1 2042552780 VFCFSCKQTMKBOH-KOCKLMIUSA-N 250.298 0.208 10 10 CCCE COc1cccc(O)c1CN[C@@H]1COC[C@@H]1CO 2042570318 LBPPGSUDQBGWMV-GXSJLCMTSA-N 253.298 0.498 10 10 CCCE C[C@H](O)c1cc(F)c(N2CC[C@@](O)(C(N)=O)C2)c(F)c1 2194510148 IYCINKSYDJKCBE-CPFSXVBKSA-N 286.278 0.445 10 10 CCCE C[C@H]1C(=O)NC(=O)CN1c1c(F)cc([C@@H](C)O)cc1F 2194515106 FPAVITXRWURSDE-NKWVEPMBSA-N 284.262 0.869 10 10 CCCE Nc1ccc(OC[C@H](O)C[S@@](=O)CCOC2CC2)cc1 2190865787 WNPFGZAOPLJGOR-YUNKPMOVSA-N 299.392 0.936 10 10 CCCE COCc1ocnc1[C@H](NCCN=[N+]=[N-])C(N)=O 2052705341 JGVDQNWMWDCPOZ-QMMMGPOBSA-N 254.250 0.247 10 10 CCCE C[C@@H]1CCN(c2cc3c(cc2N)OCC(=O)N3)C[C@@H]1N 2191592748 LIUWXQAHIYZURD-SCZZXKLOSA-N 276.340 0.773 10 10 CCCE NCCN1CCN(c2cc3c(cc2N)OCCO3)CC1 2191570312 KQVBMIDHQNGUNO-UHFFFAOYSA-N 278.356 0.121 10 10 CCCE C[C@@]1(NS(=O)(=O)CCOc2ccc(N)cc2)CCNC1 2191639653 JOLLWEYIVDCRRT-CYBMUJFWSA-N 299.396 0.319 10 10 CCCE Oc1ccc(F)cc1CN1C[C@@H](O)CC12CNC2 2066538599 RVKTXIDADGTAEY-NSHDSACASA-N 252.289 0.440 10 10 CCCE C[C@H](CNC(=O)Nc1ccc(N)cc1)N1CCNCC1 2192469573 NKZCMXMLUJBPII-LLVKDONJSA-N 277.372 0.684 10 10 CCCE O=S(=O)(NCc1ccccc1O)[C@@H]1CC[C@H](CO)C1 2101572396 WZPQWZCRRDDWCR-CMPLNLGQSA-N 285.365 0.973 10 10 CCCE CNC(=O)NCCCNCc1ccc(OC)cc1O 2102871169 VBHNKZRTHNEJAZ-UHFFFAOYSA-N 267.329 0.810 10 10 CCCE CN1CCN(C)[C@@H]([C@H](N)c2ccc(N(C)C)cc2)C1 2106792746 GYXJZLMKWVQSSO-HUUCEWRRSA-N 262.401 0.998 10 10 CCCE C[C@H]1CCN(C(=O)Nc2ccc(N)cc2)[C@H]1C(N)=O 2090256470 OWSPYYQMCFCZLV-GZMMTYOYSA-N 262.313 0.996 10 10 CCCE Nc1cc2c(cc1N1CC([C@H](F)CO)C1)OCCO2 2110583936 KFIWMYCMGLAQJE-SECBINFHSA-N 268.288 0.807 10 10 CCCE C[C@@H]1C[C@@H]1N(CCO)c1ccc2c(c1)NC(=O)[C@H]2O 2110795071 QXZMXKWDYHYZFX-JCOFBHIZSA-N 262.309 0.879 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3CC(CO)C3)c(Cl)cc21 2092542201 NBYUXAAJRNQANO-LBPRGKRZSA-N 281.743 0.981 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CC[C@H]4C[C@@]4(O)C3)ccc21 2114561388 RTEUVSHEBAEISI-ORUWWINDSA-N 259.309 0.600 10 10 CCCE COc1ccc(O)c(CN2CC[C@H](O)C[C@@H]2C(=O)O)c1 2201083462 ZRBBMLCEZQUPTF-CMPLNLGQSA-N 281.308 0.811 10 10 CCCE CN(C(=O)CN1C[C@H]2C[C@H]1[C@H]2CO)c1ccc(N)cc1 2203128608 MWCQVIFPPPJVSC-SWHYSGLUSA-N 275.352 0.544 10 10 CCCE CCNCc1ccc(N2C[C@@H](O)[C@@H](CO)C2)cc1OC 2204556103 BTWFTQREXFYNAG-TZMCWYRMSA-N 280.368 0.594 10 10 CCCE CO[C@@H]1[C@H](OC)CN[C@H]1C(=O)NCc1ccccc1O 2205446932 VXMJCZMMNCADSH-JHJVBQTASA-N 280.324 0.010 10 10 CCCE OC[C@@H](O)[C@H]1COCCN1c1ccc2c(c1)COCC2 2235069227 KIDOBURDGFRWLZ-HUUCEWRRSA-N 279.336 0.318 10 10 CCCE C[C@H](O)CN1CCN(c2ccc3c(c2)OCCO3)CC1 2235113023 LYEGAKMKJOEDTQ-LBPRGKRZSA-N 278.352 0.961 10 10 CCCE OC[C@@H]1NC[C@H]2CN(Cc3cc(F)ccc3O)C[C@@H]21 2227303551 GPOUGSKYSMDXHT-DRZSPHRISA-N 266.316 0.543 10 10 CCCE CNC(=O)C1CN(c2ccc(OC)cc2C(=O)O)C1 2227671062 XYALKILNEBAAEG-UHFFFAOYSA-N 264.281 0.576 10 10 CCCE Nc1cc2c(cc1N1C[C@@H]3C[C@H](C1)[C@H]3O)CCC(=O)N2 2286203588 QCIMBMQTSFWJTM-KEODLESXSA-N 273.336 0.971 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@H]2C[C@H]3CO[C@H]2C3)cc1 2270753004 HEDAAXIVDISAIM-WXHSDQCUSA-N 282.365 0.866 10 10 CCCE O[C@H]1CCN(c2ccc3c(c2)CC[C@H]3O)CC[C@H]1O 2269126752 ZGLINZANFNIHCU-KFWWJZLASA-N 263.337 0.988 10 10 CCCE COC[C@@H]1[C@H](O)[C@@H](O)CN1c1ccc([C@@H](C)N)c(C)c1 2285126338 FWSGXBALPMQAGI-RABLLNBGSA-N 280.368 0.572 10 10 CCCE COc1cc(OC)c(N2C[C@H](N)[C@@H](OC)C2)c(OC)c1 2287141789 BUFLVMWMOPEMOJ-GWCFXTLKSA-N 282.340 0.875 10 10 CCCE COc1cc(N)c(N2CCOC3(CNC3)C2)cc1OC 2288437606 QKHZQQXVAPUPSK-UHFFFAOYSA-N 279.340 0.465 10 10 CCCE Nc1ccc(OCCN2C[C@@H]3C[C@H]2[C@@H](O)[C@H]3O)cc1 2329333211 SIIKZYXLVFDHOT-NZPIUUIZSA-N 264.325 0.074 10 10 CCCE Nc1ccc(NC(=O)N[C@H]2CO[C@@H]3COC[C@@H]32)cc1 2329408066 GQMKSQAVYGJHFY-GRYCIOLGSA-N 263.297 0.804 10 10 CCCE CCNCc1ccc(N2CC([C@H](O)CO)C2)c(C)c1 2336768798 IUDANJZMKKZCQM-OAHLLOKOSA-N 264.369 0.894 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CCC[C@H](O)C2)cc1 35612027 FSARRJYTEQEITD-LBPRGKRZSA-N 270.354 0.555 10 10 CCCE C[C@H](CO)N(C)CCC(=O)Nc1ccc(N)cc1 122221292 AKRZKOSVRNMPNF-SNVBAGLBSA-N 251.330 0.910 10 10 CCCE O=S(=O)(N[S@@]1=CCOCC1)C(F)(F)F 71766685 FCTMIZODNGACNI-ZDUSSCGKSA-N 251.251 0.442 10 10 CCCE C[C@@H](O)CN1CCN(Cc2cc([N+](=O)[O-])ccc2O)CC1 189370560 CGKAYCUHLWFTFW-LLVKDONJSA-N 295.339 0.799 10 10 CCCE CN(C)c1ccc([C@@H]2CC[C@@H](S(N)(=O)=O)CN2)cc1 80103817 MXAIONIIJNDZHR-OLZOCXBDSA-N 283.397 0.834 10 10 CCCE Cc1ccc(O)c([C@@H](C)N2CCNC[C@H]2C(N)=O)c1 251163616 NLTFKUFQBSMMQK-PWSUYJOCSA-N 263.341 0.521 10 10 CCCE CC(=O)C(=O)COC(=O)[C@H]1COc2ccccc2O1 808499182 NEDLMBKVDDMNRU-GFCCVEGCSA-N 264.233 0.528 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N3CC([C@@H](F)CO)C3)cc21 2166897968 CGAJEBZJGIQMAY-AAEUAGOBSA-N 279.315 0.429 10 10 CCCE C[C@]12CN(c3ccc4c(c3)NC(=O)[C@H]4O)C[C@@]1(CO)C2 2165492924 XFHYXGYFUIXHME-AEGPPILISA-N 274.320 0.881 10 10 CCCE C[C@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)C[C@@H](C)N1 2132392607 JJHDQCQBNWMVLZ-OCAPTIKFSA-N 266.297 0.626 10 10 CCCE NC(=S)[C@@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)C1 2132402280 YITHQWRPTJKOKF-ZCFIWIBFSA-N 282.321 0.552 10 10 CCCE CO[C@@H]1CS(=O)(=O)C[C@@H]1N(C)CCc1ccc(N)cc1 696856184 MLLHRYBHHNTHJG-UONOGXRCSA-N 298.408 0.555 10 10 CCCE CN1CCO[C@H](C(=O)N2Cc3cccc(O)c3C2)C1 871202831 NISWTPQCRXOASZ-ZDUSSCGKSA-N 262.309 0.565 10 10 CCCE Nc1ccc(N2CCOC[C@@]23CNCCOC3)cc1 1876363500 ANJIAAOTBSNYQQ-AWEZNQCLSA-N 263.341 0.464 10 10 CCCE C[C@]1(N)CCCN(C(=O)COc2ccc(N)cc2)C1 1876481310 AERNHVXKEWQWTI-AWEZNQCLSA-N 263.341 0.987 10 10 CCCE O=C1Nc2cc(N3C[C@@H]4COCC[C@H]43)ccc2[C@H]1O 1878825910 XCKLHMHRAYRHEQ-BZHVJNSISA-N 260.293 0.897 10 10 CCCE Nc1n[nH]c(CCNC(=O)c2cc(O)cs2)n1 1141786673 RIJXWCGQRSMTAU-UHFFFAOYSA-N 253.287 0.127 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CCN2C(=O)CC[C@H]2C1 1151026669 VYEFXLBDTOSPLZ-NSHDSACASA-N 290.319 0.474 10 10 CCCE N[C@@H](CC(=O)O)c1nnc(-c2cccc(O)c2O)o1 83480475 OKVFQKIPSMUGSR-LURJTMIESA-N 265.225 0.622 10 10 CCCE CN(C)c1ccc(CNS(=O)(=O)[C@H]2CCCNC2)cc1 722231234 CVFNTMUTBMCRIE-AWEZNQCLSA-N 297.424 0.924 10 10 CCCE O=C(NCc1cc(O)ccc1O)[C@@H]1C[C@H]1[N+](=O)[O-] 1176754761 GVQAYUIRPSCNBJ-RKDXNWHRSA-N 252.226 0.379 10 10 CCCE C[C@@H]1CN(C(=O)c2ccc(O)c(O)c2)C[C@H]1CO 708615740 ALBOHGJYJMTPRJ-SCZZXKLOSA-N 251.282 0.798 10 10 CCCE C[C@@]1(O)CCN(c2ccc(CN)c(F)c2F)C[C@H]1O 1893338450 DNWOOMFHAYHARH-ZWNOBZJWSA-N 272.295 0.746 10 10 CCCE C[C@]1(O)CCN(c2ccc3c(c2)CC[C@H]3O)C[C@@H]1O 1893332347 QOQGEFFCNAKONE-ILXRZTDVSA-N 263.337 0.988 10 10 CCCE C[C@@H]1CN2CCN1C[C@@H]2C(=O)NCc1c(O)cccc1O 1645362714 AGOFRQSBRREBAU-ZYHUDNBSSA-N 291.351 0.102 10 10 CCCE COC(=O)NC[C@@H]1CCN1Cc1cc(N)ccc1O 2130745922 GNMBUNAOCHFDNX-NSHDSACASA-N 265.313 0.905 10 10 CCCE [N-]=[N+]=NCCCN[C@@]1(C(N)=O)CCOCCC1(F)F 1912158099 VERROVOYXVYIGU-SECBINFHSA-N 277.275 0.946 10 10 CCCE CC(C)OC(=O)NS(=O)(=O)N1CC[C@H](CN=[N+]=[N-])C1 1912187179 FWGDJNNXYJCPOU-MRVPVSSYSA-N 291.333 0.998 10 10 CCCE CN(CCCN=[N+]=[N-])C[C@@H]1CCN(S(C)(=O)=O)C1 1912173934 SPKHWMAUOXALEK-JTQLQIEISA-N 275.378 0.900 10 10 CCCE COC(=O)[C@@H](C)S(=O)(=O)N1CC[C@@H](N=[N+]=[N-])C1 1912180642 DJXGAMGFOSPDCL-RNFRBKRXSA-N 262.291 0.262 10 10 CCCE Nc1ccc(CC(=O)N[C@H](CCO)C(F)F)cc1 1918519797 DCXGMQGTTVSBMT-SNVBAGLBSA-N 258.268 0.944 10 10 CCCE NCc1ccc(N2CCCN(CCO)CC2)c(F)c1 227229490 KXOWGTOJPGDXFX-UHFFFAOYSA-N 267.348 0.789 10 10 CCCE COc1ccc(N2CC(CO)(OC)C2)c(OC)c1 2219640315 FRAYIHQYLHSACR-UHFFFAOYSA-N 253.298 0.901 10 10 CCCE C[C@@H](C(=O)NC(N)=O)N(c1ccc(CN)cc1)C1CC1 34655533 VOMWSEBDWDHGCW-VIFPVBQESA-N 276.340 0.698 10 10 CCCE COC(C)(C)CNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 160396514 BGXHWGIXDSFAJA-JTQLQIEISA-N 282.340 0.509 10 10 CCCE CN(C)c1ccc(C=CC(=O)N2CC(O)(CN)C2)cc1 2154729857 PUPBYYDVFIYSHD-UHFFFAOYSA-N 275.352 0.298 10 10 CCCE C[C@@H]1CCN[C@@H]1CNC(=O)c1ccc(O)c(O)c1 2033146558 GRYZIQKLUPCBOQ-PSASIEDQSA-N 250.298 0.826 10 10 CCCE C[C@@H](c1ccccc1O)N(C)C(=O)C1(N)COC1 2035920420 PQAKGLKQQSTHPL-VIFPVBQESA-N 250.298 0.639 10 10 CCCE CC(C)OC(=O)CNC(=O)COc1ccc(N)cc1 308763832 QJDBVPMWFQLYPJ-UHFFFAOYSA-N 266.297 0.715 10 10 CCCE O=C(NCC[C@H]1CNCCO1)c1ccc(O)c(O)c1 311721280 YQNCNINLEFFRJQ-JTQLQIEISA-N 266.297 0.206 10 10 CCCE Nc1ccc(CC(=O)OC[C@H](O)CN2CCCC2)cc1 312498482 FPNZPOLKJMGHKF-CQSZACIVSA-N 278.352 0.811 10 10 CCCE Nc1ccc(CCC(=O)N2CC(n3cnnc3)C2)cc1 2170202945 ZQWMJAZFSCLWAC-UHFFFAOYSA-N 271.324 0.876 10 10 CCCE C[C@@H]1C(=O)NC(=O)N(Cc2ccc(N(C)C)cc2)C1=O 2160463603 SBOHZDQWAUZJHQ-SECBINFHSA-N 275.308 0.967 10 10 CCCE CN1C[C@@H]2CN(c3ccc4c(c3)NC(=O)[C@H]4O)C[C@H]2C1 705612718 GLDJZKLXYMNSPG-RULNRJAQSA-N 273.336 0.670 10 10 CCCE Cn1cc(C(=O)N2CCC[C@H]2CN=[N+]=[N-])n(C)c1=O 710422696 MLXIRVXOTGMLPD-QMMMGPOBSA-N 264.289 0.639 10 10 CCCE O=C1[C@H](NCc2ccc(O)c(O)c2)CCN1C1CC1 708726650 HCLKHELDUFJETR-LLVKDONJSA-N 262.309 0.951 10 10 CCCE CCN(C[C@@H](C)O)c1ccc2c(c1)NC(=O)[C@H]2O 691464149 HVAPNIUOETVASB-PELKAZGASA-N 250.298 0.879 10 10 CCCE Cc1ccc(S(=O)(=O)NCCc2ccc(N)cc2)nn1 712785649 RIOAERQNPSMZGV-UHFFFAOYSA-N 292.364 0.888 10 10 CCCE C[C@H](O)CCCN(CC(N)=O)Cc1ccc(N)cc1 382073228 ZZNWASNVNMSVHK-NSHDSACASA-N 265.357 0.717 10 10 CCCE COC(=O)C1(O)CN(c2ccc(CN)c(Cl)c2)C1 714487428 GIEZOCWIGCMJNL-UHFFFAOYSA-N 270.716 0.523 10 10 CCCE C[C@@H](c1ccccc1O)N(C)C(=O)[C@@H](F)C1(O)CNC1 2172290812 WLNAIVNFENFCGD-JOYOIKCWSA-N 282.315 0.584 10 10 CCCE C[C@@H](O)C1CN([C@H](C)C(=O)Nc2ccc(N)cc2)C1 719756352 XCXPNBRKRSCHQN-NXEZZACHSA-N 263.341 0.908 10 10 CCCE Nc1ccc(OCCN2CC[C@H](O)[C@H](CO)C2)cc1 396792445 DMJIHARCQBTADV-FZMZJTMJSA-N 266.341 0.323 10 10 CCCE COc1ccc(O)c(CNC2CN([C@H]3CCOC3)C2)c1 2169346990 OEYHVTAHNPQWFL-ZDUSSCGKSA-N 278.352 0.964 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CCO[C@H]3COC[C@H]32)cc1 2192656857 MCNLWCIGRPXMHD-OLZOCXBDSA-N 298.364 0.198 10 10 CCCE CN(CC(C)(CO)CO)c1ccc(CO)c([N+](=O)[O-])c1 2188576750 IYHPXBPNHSAHEJ-UHFFFAOYSA-N 284.312 0.514 10 10 CCCE O=C(NCCN1CC=CCC1)c1cc(O)c(O)c(O)c1 2188874648 JNQGNIIDIVIHSB-UHFFFAOYSA-N 278.308 0.795 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CC2(CC2)C[C@H]1CO 2188867670 FFHHEBRUXXYTDC-VIFPVBQESA-N 279.292 0.790 10 10 CCCE O=C(N[C@]12CCC[C@H]1NCC2)c1cc(O)c(O)c(O)c1 2188922497 HCJZGPLIIGWZBE-RISCZKNCSA-N 278.308 0.818 10 10 CCCE CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](N)CCO 2193517429 PUQNPAPFLQIEBX-CQSZACIVSA-N 279.384 0.811 10 10 CCCE CS(=O)(=O)N1CCN(c2ccc3c(c2)CC[C@@H]3N)CC1 2184739631 JRSAFSVJWVVUHG-AWEZNQCLSA-N 295.408 0.714 10 10 CCCE COc1cccc(O)c1CN[C@@H]1CCC(=O)NC1 2042581453 QCMPBTHYXDYDHF-SECBINFHSA-N 250.298 0.769 10 10 CCCE NCc1ccc(N2[C@H]3CC[C@H]2[C@@H](O)[C@H](O)C3)c(F)c1F 2190456743 HWOROAVNMGGEFA-HJUHTLPRSA-N 284.306 0.886 10 10 CCCE COc1ccc(CNC[C@H](CCO)OC)c(O)c1 2049493476 RSYXHONEZHEHAX-LBPRGKRZSA-N 255.314 0.888 10 10 CCCE C[C@H](NCc1nc(=O)o[nH]1)c1cc(O)ccc1O 2052628448 AIPHSVPYFRCYDD-LURJTMIESA-N 251.242 0.625 10 10 CCCE N[C@@H]1C[C@H]2CC[C@H]1CN2C(=O)Cc1ccc(O)c(O)c1 2191486756 NOVPXPJZAULGRB-QJPTWQEYSA-N 276.336 0.979 10 10 CCCE C[C@H]1C[C@@H](CN)CN1c1cc2c(cc1N)OCC(=O)N2 2191585565 IWNYEQNJXPCKBN-IUCAKERBSA-N 276.340 0.773 10 10 CCCE C[C@@H]1[C@@H](N)CCCN1c1cc2c(cc1N)OCC(=O)N2 2191891186 ITVKJEJQEKZRIW-BDAKNGLRSA-N 276.340 0.916 10 10 CCCE C[C@@H](F)[C@@H](NC(=O)c1cccc(O)c1O)C(=O)O 2069719172 NAUFJRIBVIDWNJ-SVGQVSJJSA-N 257.217 0.639 10 10 CCCE CO[C@@H]1C[C@@H](NCc2cc3c(cc2O)OCO3)C[C@H]1O 2187369703 ANNYZGVORAWSDV-MVWJERBFSA-N 281.308 0.749 10 10 CCCE CS(=O)(=O)[C@H]1CNC[C@H]1Nc1c(N)cccc1Cl 2072525760 LRKGMWSXGCBGLA-ZJUUUORDSA-N 289.788 0.719 10 10 CCCE CO[C@@H]1CN(Cc2ccc(N)cc2)C[C@H]1C(=O)O 2076951671 ODWHUMMTTLTJMU-VXGBXAGGSA-N 250.298 0.800 10 10 CCCE CNCc1cc(F)c(N2C[C@H]3[C@@H](C2)[C@@H]3C(N)=O)c(F)c1 2201294504 QHIDYOHGBOHTDH-GDGBQDQQSA-N 281.306 0.852 10 10 CCCE NC(=O)[C@@H]1[C@H]2CN(c3ccc(CO)cc3[N+](=O)[O-])C[C@H]21 2201277545 GPXPCBIRQXLODR-GDGBQDQQSA-N 277.280 0.255 10 10 CCCE CN1C[C@H](O)[C@H](N(c2ccc(CN)cc2)C2CC2)C1 2100728184 UJZUXSWBDPHVFS-CABCVRRESA-N 261.369 0.789 10 10 CCCE CN1C(=O)[C@@H](O)c2ccc(N3CC(C)(CO)C3)cc21 2101060830 OUSWBHVJSCYXPR-LBPRGKRZSA-N 262.309 0.515 10 10 CCCE C[C@@H]1C[C@]1(CN)C(=O)NCCc1ccc(O)c(O)c1 2101149879 UMYFKIHNBGKMOU-YMTOWFKASA-N 264.325 0.741 10 10 CCCE COCC[C@@H](N)C(=O)NCc1cccc(C)c1O 2084062966 JQHWOWKKYQERPE-LLVKDONJSA-N 252.314 0.681 10 10 CCCE CN1C(=O)CC[C@@H](NCc2c(O)cccc2F)C1=O 2104509277 OKRZDFRNGPQPJZ-SNVBAGLBSA-N 266.272 0.768 10 10 CCCE O=C(c1cccc(O)c1O)N1CC[C@H]2CCN[C@H]2C1 2087443579 RVBSJWSDQLQFGV-KOLCDFICSA-N 262.309 0.922 10 10 CCCE COc1ccc(N2C[C@@H]3CS(=O)(=O)C[C@H]3C2)c(N)c1 2087860899 VNYVQTVBPCMXSR-NXEZZACHSA-N 282.365 0.758 10 10 CCCE Cc1cc(CN)ccc1N1CC[C@H](OCC(N)=O)C1 2089131440 OHYHLLRCSVTFDX-LBPRGKRZSA-N 263.341 0.534 10 10 CCCE NC(=O)[C@@H]1CC[C@@H](NCc2ccc(O)c(O)c2O)C1 2090010250 MEXAXJCNZVEEGG-VXNVDRBHSA-N 266.297 0.547 10 10 CCCE C[C@H](C(=N)NO)C(=O)NCCc1ccc(O)c(O)c1 2091745723 ZSRDVVOXELFNIS-SSDOTTSWSA-N 267.285 0.349 10 10 CCCE O=C([C@@H]1CNc2ccccc2N1)N1C[C@H](F)[C@H](O)C1 2092767641 IJMJEULLLHMKIZ-KPXOXKRLSA-N 265.288 0.434 10 10 CCCE NCc1cc(F)c(N2C[C@H]3C[C@@]2(CO)CO3)c(F)c1 2094650507 CQRZAZDHYMPDEH-NOZJJQNGSA-N 270.279 0.764 10 10 CCCE CO[C@H]1COC[C@H]1CNC(=O)Cc1ccc(N)cc1 2097870198 JAMSRONPZVDKOZ-YPMHNXCESA-N 264.325 0.589 10 10 CCCE CCNCc1ccc(N(C)[C@H]2CC(=O)NC2=O)cc1 2114726608 HZOFPIYFRTZNPL-LBPRGKRZSA-N 261.325 0.647 10 10 CCCE CC[C@@H](O)c1ccc(N(C)[C@@H]2CC(=O)NC2=O)cc1 2114726825 KCYKADYUEYHQPV-VXGBXAGGSA-N 262.309 0.981 10 10 CCCE COc1cc(N2CC[C@@H](C(CO)CO)C2)ccc1CN 2204557155 MLRQTCPKUMECHP-GFCCVEGCSA-N 280.368 0.581 10 10 CCCE Cc1cccc(CNS(=O)(=O)c2cnc(=N)[nH]c2)c1O 2204619924 AZAVHRSUPQWAQZ-UHFFFAOYSA-N 294.336 0.382 10 10 CCCE Cc1cccc(CNC(=O)[C@@H](N)c2cn(C)nn2)c1O 2204606142 QTRBTAOZWLIILP-NSHDSACASA-N 275.312 0.145 10 10 CCCE Cc1cccc(CNC(=O)C23CC(CN)(CO2)C3)c1O 2207231921 XVPUANGYRPHUBI-UHFFFAOYSA-N 276.336 0.825 10 10 CCCE CC(C)(C)OC(=O)N(CCOc1nnc(=N)[nH]n1)C1CC1 2209560804 QKVUYSIHYXIDGG-UHFFFAOYSA-N 296.331 0.457 10 10 CCCE Cc1cc([C@@H](C)N)ccc1N1C[C@@H](O)[C@H](CO)C1 2223927802 JZAASXZVMKKDKM-SCDSUCTJSA-N 250.342 0.804 10 10 CCCE COCCOCCOCC(=O)N1CCC[C@H]1CN=[N+]=[N-] 2236047468 XYJWKRSRQFJCHB-NSHDSACASA-N 286.332 0.967 10 10 CCCE COc1ccc(N2CC[C@H]3CS(=O)(=O)C[C@@H]32)c(CO)c1 2236000219 SATNUFZLCZOFSM-HZMBPMFUSA-N 297.376 0.811 10 10 CCCE COc1ccc(N2C[C@H](CO)C[C@@H]2CO)cc1OC 2226806811 PBHBGUQVBDARMD-ZYHUDNBSSA-N 267.325 0.883 10 10 CCCE CNCc1cc(OC)ccc1N1CC(CO)(OC)C1 2227678265 SYUGROYCRPBMDM-UHFFFAOYSA-N 266.341 0.612 10 10 CCCE COc1ccc(N2CCNC(=O)C2(C)C)c(CN)c1 2227673760 RFERJNLIVRFQOC-UHFFFAOYSA-N 263.341 0.869 10 10 CCCE CSc1ncc(CNC[C@@H]2CNCCN2C)s1 2248742253 ZYNVSCLRBHESNM-VIFPVBQESA-N 272.443 0.858 10 10 CCCE CSc1ncc(CNS(=O)(=O)CC2CNC2)s1 2248746398 SZVGABFXDFQMBR-UHFFFAOYSA-N 293.439 0.504 10 10 CCCE O=C(Nc1nnc2ncccn12)c1cccc(O)c1O 2288580954 WOSHMGFTQSRKFQ-UHFFFAOYSA-N 271.236 0.788 10 10 CCCE COCC(COC)ONC(=O)c1ccc(O)c(O)c1 2268130910 LVEIQYSSRJSDEO-UHFFFAOYSA-N 271.269 0.421 10 10 CCCE NCCCN(CCO)c1cc2c(cc1N)NC(=O)CC2 2281146681 LQGOOKQFXMJLDT-UHFFFAOYSA-N 278.356 0.301 10 10 CCCE CNC(=O)[C@@H]1COCCN1c1ccc([C@@H](C)O)c(C)c1 2285169644 FOGXMAUNSSAZRF-RISCZKNCSA-N 278.352 1.000 10 10 CCCE COc1ccc(N2C[C@H]3C[C@H]2[C@@H](O)[C@H]3O)c(OC)c1C 2295377271 CRBPUXWENOVBES-DGFQIJBJSA-N 279.336 0.943 10 10 CCCE NC(=O)c1nc(CNCc2cc(F)cc(F)c2O)no1 2285736892 KGHKJYHMVWORTA-UHFFFAOYSA-N 284.222 0.442 10 10 CCCE CO[C@H]1C[C@@H]2C[C@H]1C[C@@]2(NCCN=[N+]=[N-])C(N)=O 2308684965 RUUQTZPWVPRIIH-KBIXCLLPSA-N 253.306 0.555 10 10 CCCE COC(=O)[C@H](NCCN=[N+]=[N-])[C@@H]1C[C@H]2CC[C@@H]1O2 2309350387 VQFXAUNMKBAEKO-DOLQZWNJSA-N 254.290 0.995 10 10 CCCE CO[C@H]1C[C@@H]2C[C@@](NCCCN=[N+]=[N-])(C(N)=O)[C@@H]2C1 2331993289 DFYFTYJJQPEVSH-KLBPJQLPSA-N 267.333 0.945 10 10 CCCE Cn1ncc(C(=O)Nc2ccc(O)cc2C(=O)O)n1 302664502 JXPFCKZQKKCLKJ-UHFFFAOYSA-N 262.225 0.471 10 10 CCCE CN[C@H](C)c1ccc(N2C[C@H](O)[C@H](O)C2)cc1O 300143073 VUTXQEZQYLVAAD-WQHBLYJGSA-N 252.314 0.214 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC[C@@H](CCO)C1 124110403 LFFSMQWOQJNQGS-QMMMGPOBSA-N 252.270 0.337 10 10 CCCE CCOC(=O)CNC(=O)c1ccn(-c2ccc(N)cc2)n1 37563391 RPYGARLGAYKLMT-UHFFFAOYSA-N 288.307 0.747 10 10 CCCE Nc1ccc(CS(=O)(=O)NCC2(CO)CC2)cc1 122259827 FNIBWLMKCMSVLK-UHFFFAOYSA-N 270.354 0.461 10 10 CCCE CO[C@@H]1CCN(c2cc3c(cc2N)OCC(=O)N3)C1 234949064 IKJMGGDEZSLEAR-MRVPVSSYSA-N 263.297 0.825 10 10 CCCE Nc1ccc(-n2ccc(C(=O)NC[C@@H](O)C3CC3)n2)cc1 71277007 NAKPWCCJCMYASW-CQSZACIVSA-N 286.335 0.955 10 10 CCCE O=S1(=O)CC[C@@H](CNCc2ccc(O)cc2O)C1 38082581 LDUFYFWUJFOYSG-VIFPVBQESA-N 271.338 0.622 10 10 CCCE CN(C)c1ccc([C@@H]2NC(=O)[C@@H]3COCCN32)cc1 93883256 VAGGWXBBFWEUSA-QWHCGFSZSA-N 261.325 0.582 10 10 CCCE CN1CCc2cc([C@H](CN3CCOCC3)NN)ccc21 2163135760 NBJNRSIMLDXKCU-AWEZNQCLSA-N 276.384 0.516 10 10 CCCE CON(C(=O)[C@@H](N)Cc1ccc(O)c(O)c1)C1CCC1 2164734871 HFIWHYMILCCRKF-NSHDSACASA-N 280.324 0.910 10 10 CCCE CC[C@H](NC(=O)c1cc(O)c(O)c(O)c1)C(=O)NC 2132350635 PCZPIVJKABCOCO-ZETCQYMHSA-N 268.269 0.058 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H](F)[C@H](CO)C1 2132349554 FCHGJOGMZWINHL-JGVFFNPUSA-N 271.244 0.206 10 10 CCCE CN[C@H](C)c1ccc(N2CCOC[C@H]2C(N)=O)cc1O 723201192 KYFYOFJLQXRMGM-SKDRFNHKSA-N 279.340 0.363 10 10 CCCE Cc1cc(O)ccc1NS(=O)(=O)C[C@H]1CNCCO1 722231630 MZSDUNUBFZRGSQ-LLVKDONJSA-N 286.353 0.431 10 10 CCCE Cn1nnnc1CNCc1ccc(Br)cc1O 691488360 NZJJGXVLWRZROJ-UHFFFAOYSA-N 298.144 0.968 10 10 CCCE O=C(N1Cc2cccc(O)c2C1)C1(O)CCOCC1 871204688 PDEPREKGPFUNKH-UHFFFAOYSA-N 263.293 0.776 10 10 CCCE Cc1ccc(CN[C@H]2CCn3nnnc3C2)c(O)c1 1875674720 QPDCFWKLEPMGRN-NSHDSACASA-N 259.313 0.792 10 10 CCCE COC(=O)[C@@H]1CC[C@H](C(=O)N2Cc3cccc(O)c3C2)O1 871206620 BQRMGJAUBBKIEA-OLZOCXBDSA-N 291.303 0.955 10 10 CCCE NC[C@@H]1CC[S@@](=O)(=NC(=O)Cc2ccc(N)cc2)C1 1876441772 HXBNKNCKQIAIGQ-WLRWDXFRSA-N 281.381 0.785 10 10 CCCE OC[C@H]1COCC[C@H]1NCc1ccc(O)c(O)c1O 1878775213 PIYYBTYJGOWAAZ-VHSXEESVSA-N 269.297 0.290 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CC[C@H]2COC[C@@H]21 1899149663 VWWUUTPRXPFBST-CBAPKCEASA-N 265.265 0.664 10 10 CCCE Cn1cc(C(=O)C(=O)NCc2cccc(O)c2O)cn1 1303192787 ACCDEMUVALLYKM-UHFFFAOYSA-N 275.264 0.330 10 10 CCCE CCc1nc(=N)[nH]c(=NCc2ccc(N(C)C)cc2)[nH]1 1963873593 VPDXVUFGXHTBEM-UHFFFAOYSA-N 272.356 0.947 10 10 CCCE O=C(NCc1c(O)cccc1O)C1=CS(=O)(=O)CCC1 1178917845 VHFBAMVAMHFTKP-UHFFFAOYSA-N 297.332 0.807 10 10 CCCE N[C@@H](c1nnc([C@H]2C[C@@H](O)CN2)o1)c1ccccc1O 83547502 VWEXGMGLMZDRTD-BCMRRPTOSA-N 276.296 0.219 10 10 CCCE O=C(CSC[C@H](O)CO)c1ccc(O)c(O)c1 93959288 QKZCANLGVFLSEV-MRVPVSSYSA-N 258.295 0.367 10 10 CCCE CC[C@H](OC(=O)CCOc1ccc(N)cc1)C(N)=O 61678599 IVOJGVQAEJXALT-NSHDSACASA-N 266.297 0.845 10 10 CCCE C[C@]1(O)CCN(c2ccc(CN)c(F)c2F)C[C@H]1O 1893338449 DNWOOMFHAYHARH-MFKMUULPSA-N 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274.320 0.908 10 10 CCCE COC(=O)CC[C@H](O)CN1CC[C@H](CN=[N+]=[N-])C1 2043784315 FGMBPHAGVHWCFW-ZJUUUORDSA-N 256.306 0.933 10 10 CCCE CC[C@H](O)CN(C)c1ccc2c(c1)NC(=O)[C@H]2O 2044541097 JOKQYASNKMXHDD-CABZTGNLSA-N 250.298 0.879 10 10 CCCE O=S1(=O)C[C@H]2C(NCc3cccc(O)c3O)[C@@H]2C1 2054276613 XIFQAYXSVFFWSJ-RKDXNWHRSA-N 269.322 0.230 10 10 CCCE O=S1(=O)C[C@H]2[C@H](CNCc3ccccc3O)[C@H]2C1 2054246435 ATXVGYDDFDRLNF-CNDDSTCGSA-N 267.350 0.772 10 10 CCCE COc1cc(N)c(N2CCOCC23CNC3)cc1OC 2191615061 FSOICDQUGSCELS-UHFFFAOYSA-N 279.340 0.465 10 10 CCCE Nc1ccc(CCC(=O)NC[C@@H]2C[C@H](N)[C@@H](O)C2)cc1 2191654411 QNJVOUASRKORFD-XBFCOCLRSA-N 277.368 0.416 10 10 CCCE COCCOC[C@@H](O)CN1CCC[C@H]1CN=[N+]=[N-] 2059061175 WQBFOJPUXKTBRN-QWRGUYRKSA-N 258.322 0.785 10 10 CCCE CN(c1ccc2c(c1)CC[C@H]2N)C1CS(=O)(=O)C1 2065065220 IZJBOZVUUYPIII-CYBMUJFWSA-N 266.366 0.866 10 10 CCCE CN(C(=O)c1cc(O)nc(O)c1)C1(CCO)CC1 2069686795 RPFVNOWDDSNEDZ-UHFFFAOYSA-N 252.270 0.480 10 10 CCCE 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COc1cc(N2C[C@@H]3OC(=O)N(C)[C@H]3C2)ccc1CO 2204554902 USWSBPWCPKPNAC-AAEUAGOBSA-N 278.308 0.827 10 10 CCCE [N-]=[N+]=N[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCCS1(=O)=O 2218739234 UGKQJLXCCATUAR-IWSPIJDZSA-N 272.330 0.911 10 10 CCCE COc1ccc(N2C[C@@H](O)C[C@H](O)C2)cc1OC 2219640215 DQZAUDBCFLFBIC-QWRGUYRKSA-N 253.298 0.636 10 10 CCCE O=C(NCCC1(O)CC1)c1cc(O)c(O)c(O)c1 2219926763 BUKCROJXQJFLHW-UHFFFAOYSA-N 253.254 0.448 10 10 CCCE Cc1cc([C@@H](C)O)ccc1N(C)[C@@H]1CC(=O)NC1=O 2232106452 MMLHJORZNJQECH-BXKDBHETSA-N 262.309 0.900 10 10 CCCE COc1ccc(N2C[C@H](O)[C@@H]3COC[C@@H]32)c(OC)c1 2226798822 KSYKCRXJHULYFG-WXHSDQCUSA-N 265.309 0.900 10 10 CCCE CNCc1cc(OC)ccc1N1CC[C@@H](C(N)=O)C1 2227682209 NTKYKPHZOYYYCO-SNVBAGLBSA-N 263.341 0.726 10 10 CCCE Nc1ccc(N2C[C@@H]3[C@H]4C[C@H]([C@@H](O)[C@H]4O)[C@@H]3C2)cc1 2228747998 PAWNAIFGRUYWOT-LEYGVYNDSA-N 260.337 0.693 10 10 CCCE CC(CO)(CO)C(=O)N1CCC(CN=[N+]=[N-])CC1 2253577375 HECZOQBRSHDKEO-UHFFFAOYSA-N 256.306 0.526 10 10 CCCE CNCc1ccc(N2CC(O)(CCO)C2)cc1Cl 2258303109 HJYTWOSGOXXXBS-UHFFFAOYSA-N 270.760 0.993 10 10 CCCE CSc1ncc(CNC(=O)[C@@H]2CNC(=O)C2)s1 2248738945 UCJMQZFUEYNWCO-LURJTMIESA-N 271.367 0.617 10 10 CCCE CCNCc1ccc(N2CC([C@@H](O)CO)C2)cc1 2315166511 NHJYCQPLLVVVSY-AWEZNQCLSA-N 250.342 0.586 10 10 CCCE CCS(=O)(=O)N(C)NCc1ccc(O)c(O)c1O 2317493385 BQAFJGHFJRDMAW-UHFFFAOYSA-N 276.314 0.090 10 10 CCCE CNCc1ccc(N2C[C@@H]3CS(=O)(=O)[C@H]3C2)cc1C 2336560759 JIRILXQKPSRMMG-OCCSQVGLSA-N 280.393 0.948 10 10 CCCE COc1ccc(CNN(C)S(=O)(=O)C2CC2)c(O)c1 2339764989 PGQXEWIFVNJATH-UHFFFAOYSA-N 286.353 0.829 10 10 CCCE C[C@H]1CN([C@@H](C)C(=O)Nc2ccc(N)cc2)C[C@@H]1O 2341496970 PMOONUOMHAFOIG-KWBADKCTSA-N 263.341 0.908 10 10 CCCE C[C@H]1CC(NCCN=[N+]=[N-])(C(=O)O)C[C@H](C)S1(=O)=O 2352679124 KDAHUFYJEJKZKQ-YUMQZZPRSA-N 290.345 0.695 10 10 CCCE O=C(N[C@H](Cc1ccc(O)c(O)c1)C(=O)O)c1ccon1 44585716 KAROCLLRUWTOSN-SECBINFHSA-N 292.247 0.512 10 10 CCCE COCCNC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 40528342 LFDFYSZJYBKOEB-SECBINFHSA-N 298.295 0.039 10 10 CCCE N[C@H](CO)c1c(Br)ccc(C(=O)O)c1O 95717681 ZMZHFGYBUMAJKM-ZCFIWIBFSA-N 276.086 0.845 10 10 CCCE CN(C)C(=O)N(CC(N)=O)Cc1ccc(N)cc1 91960556 LVMVYXLMSPMIQF-UHFFFAOYSA-N 250.302 0.238 10 10 CCCE CC(=O)C(=O)COC(=O)c1ccn(CC(F)F)n1 808545728 LJVUEBXYVSOCLP-UHFFFAOYSA-N 260.196 0.463 10 10 CCCE C[C@H](N[C@@H]1C[C@H](O)[C@H](O)[C@@H]1O)c1ccc(N(C)C)cc1 2165104220 LFBIRWDSHHSKHT-OWILRWKRSA-N 280.368 0.258 10 10 CCCE O=C(N[C@@H]1C[C@H]2NCC[C@H]21)c1cc(O)c(O)c(O)c1 2132410525 NNPXBMUOQFFQBY-IWSPIJDZSA-N 264.281 0.284 10 10 CCCE NC(=O)N1CCN(c2ccc([N+](=O)[O-])c(CO)c2)CC1 721684944 WMUUPLPNMGAHRN-UHFFFAOYSA-N 280.284 0.288 10 10 CCCE C[C@]1(CO)CCCN1S(=O)(=O)Cc1ccc(N)cc1 722985770 HNZYZAOHUQCBFG-CYBMUJFWSA-N 284.381 0.945 10 10 CCCE Cn1cnc(CCCNC(=O)c2cccc(O)c2O)n1 843979513 WNOHOWHVADSHQD-UHFFFAOYSA-N 276.296 0.589 10 10 CCCE C[C@@H]1CNC[C@H](NC(=O)COc2ccc(N)cc2)C1 1876455630 GTQZGXFNYBSQBO-CMPLNLGQSA-N 263.341 0.762 10 10 CCCE CC(=O)C(=O)COC(=O)[C@H]1CCCN(C(C)(C)C)C1=O 885480873 DXIMYEMQEQPYTO-JTQLQIEISA-N 283.324 0.725 10 10 CCCE O=C1COc2cc([N+](=O)[O-])c(N3CC[C@H](O)C3)cc2N1 61707306 MXKWVFXGSAWFGG-ZETCQYMHSA-N 279.252 0.497 10 10 CCCE CN(C)C[C@@H]1CCN(S(=O)(=O)Cc2ccc(N)cc2)C1 688455854 VYWZYEKHHRLRDU-ZDUSSCGKSA-N 297.424 0.982 10 10 CCCE CN(C)C[C@@H](O)CNCc1ccc(F)c(F)c1O 717287274 HDNIBDFFPDCJLZ-VIFPVBQESA-N 260.284 0.683 10 10 CCCE C[C@@H](O)[C@H](O)CNC(=O)CCc1ccc(N)cc1 717364320 GNAOMZANTGDHMK-BXKDBHETSA-N 252.314 0.059 10 10 CCCE COC[C@H](CCNC(=O)Cc1ccc(N)cc1)OC 694322561 FZMOWISNHJVCKL-ZDUSSCGKSA-N 266.341 0.979 10 10 CCCE CN(C)CCN1CC(=O)N(c2ccc(N)cc2)C1=O 695386473 WLOVPJWKWMWSBY-UHFFFAOYSA-N 262.313 0.599 10 10 CCCE C[C@@H]1CN(C(=O)COc2ccc(N)cc2)CCN1C 104135771 CXWRWIXPWCIYCD-LLVKDONJSA-N 263.341 0.810 10 10 CCCE COc1cccc(O)c1CN[C@@H](C)c1nc(=O)o[nH]1 2121343235 AGCRFZSIVAYEKP-ZETCQYMHSA-N 265.269 0.928 10 10 CCCE Cc1ccc(O)c([C@H](C)NCC(CO)(CO)CO)c1 2123234160 MIQAKFZOZDIJCA-NSHDSACASA-N 269.341 0.315 10 10 CCCE COc1ccc(CNC(=O)C2(CO)CCOCC2)c(O)c1 1639455602 BOQOYADRFICUQP-UHFFFAOYSA-N 295.335 0.806 10 10 CCCE CN(CCOCCO)C(=O)Cc1ccc(O)c(O)c1 1617886426 LJIPFIUTDBOCDT-UHFFFAOYSA-N 269.297 0.108 10 10 CCCE CNc1cnc(C(=O)NCCc2ccc(O)c(O)c2)cn1 1631509941 IEMUPYPMLZRSBD-UHFFFAOYSA-N 288.307 0.902 10 10 CCCE CC1=NO[C@@H](C(=O)NCc2c(O)cccc2O)C1 1645363484 WWMQRESIAOMHQB-LLVKDONJSA-N 250.254 0.879 10 10 CCCE CCN1C[C@@H](CNC(=O)Cc2ccc(O)c(O)c2)CC1=O 1640862133 TYOXUZVFNLAUPJ-LLVKDONJSA-N 292.335 0.625 10 10 CCCE CCOC(=O)[C@@H](C)NC(=O)Cc1ccc(O)c(O)c1 1625690112 GFJKDPYPQCVBED-MRVPVSSYSA-N 267.281 0.708 10 10 CCCE N[C@H]1CCCc2cc(N3CC[C@@](O)(CO)C3)ccc21 2128274482 PCSRISANRMGTFT-GJZGRUSLSA-N 262.353 0.956 10 10 CCCE N[C@H]1C[C@@H]2CN(C(=O)c3cccc(O)c3O)C[C@@H]2C1 2128757188 BCMIEVPDSOVXPE-MYJAWHEDSA-N 262.309 0.907 10 10 CCCE CO[C@@H]1C[C@H](NC(=O)Cc2ccc(N)cc2)C[C@@H]1O 2130804488 JRGPAWQRRIJFDW-FRRDWIJNSA-N 264.325 0.466 10 10 CCCE CN1C[C@@H]2C[C@H](C1)N2S(=O)(=O)Cc1ccc(N)cc1 2131080836 MVEOZMYEIQDLIK-BETUJISGSA-N 281.381 0.487 10 10 CCCE Nc1ccc(-n2nnc(C(=O)Nc3cccnc3)n2)cc1 1857878698 JLFYWFRJJQQQMB-UHFFFAOYSA-N 281.279 0.892 10 10 CCCE COc1cc(N)c(N2CC(CO)(CO)C2)cc1OC 1914999832 PAGYIYZUSBOFIU-UHFFFAOYSA-N 268.313 0.077 10 10 CCCE CN1CCN(c2noc(Cc3ccc(N)cc3)n2)CC1 228191869 GPNHACQGKIRATI-UHFFFAOYSA-N 273.340 0.994 10 10 CCCE O=C(N[C@@H]1CN[C@@H]2CCC[C@H]12)c1cc(O)nc(O)c1 1925999742 LJHGETCGAILMRH-IVZWLZJFSA-N 263.297 0.363 10 10 CCCE CNC(=O)NC(=O)CN(C)c1ccc(CN)cc1 1967635520 OHVXFHMEKYASBL-UHFFFAOYSA-N 250.302 0.037 10 10 CCCE CN1CCCN(C(=O)c2ccc(O)c(O)c2)CC1=O 230418046 ZJOLBGPRGWESIU-UHFFFAOYSA-N 264.281 0.402 10 10 CCCE N[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)C12CCC2 2136745832 QHJDVHGYYHQCKR-SNVBAGLBSA-N 264.281 0.509 10 10 CCCE CCOc1cccc(CNCC2(CO)COC2)c1O 123000238 ZVNZLKBHSULSHM-UHFFFAOYSA-N 267.325 0.889 10 10 CCCE COc1cccc(CN2CCOC[C@H](N)C2)c1O 1967985532 HHLVNQNEYDADCF-LLVKDONJSA-N 252.314 0.560 10 10 CCCE NCc1cc(F)c(N2CCOC[C@H]2C(N)=O)c(F)c1 129285687 WIVNDVFLCDZMBZ-JTQLQIEISA-N 271.267 0.114 10 10 CCCE O=[N+]([O-])c1cc(CO)ccc1N1C[C@@H](O)C[C@H](F)C1 1972995504 FBBRSASLGALIIN-UWVGGRQHSA-N 270.260 0.996 10 10 CCCE Nc1ccc(CCC(=O)N2CCO[C@H](C(=O)O)C2)cc1 158145448 FMEIRGKGRZYILU-LBPRGKRZSA-N 278.308 0.513 10 10 CCCE CN(CC1(O)CCOCC1)C(=O)Cc1ccc(N)cc1 160932272 OGAZVIDNTOHWFS-UHFFFAOYSA-N 278.352 0.811 10 10 CCCE Nc1ccc(Cc2n[nH]c(=O)n2[C@H]2CCOC2)cc1 161031448 MGNSDZRFRXOVNE-NSHDSACASA-N 260.297 0.706 10 10 CCCE CCN1CCO[C@H]([C@@H](NN)c2ccccc2O)C1 2029542286 CYGLMRLLPYVYBI-STQMWFEESA-N 251.330 0.617 10 10 CCCE CN(CCCN=[N+]=[N-])C(=O)[C@@H]1CN2CCN1CC2 2038244817 KHFMIASECUOUOD-JTQLQIEISA-N 252.322 0.145 10 10 CCCE COC(=O)[C@H](C)NC(=O)N(C)c1ccc(N)cc1 2039301881 FBACWXZXZPJPDN-QMMMGPOBSA-N 251.286 0.976 10 10 CCCE CNC(=O)NCCCNCc1ccc(O)cc1O 2041189349 RPPODSOTPYGCHC-UHFFFAOYSA-N 253.302 0.507 10 10 CCCE CNC(=O)CCCN1CCN(c2ccc(N)cc2)CC1 68819001 SEQDSQDYMXDUCQ-UHFFFAOYSA-N 276.384 0.917 10 10 CCCE Nc1ccc(OCCN2CC[C@](O)(CO)C2)cc1 313651241 BKZBYMYBUXQAOX-CYBMUJFWSA-N 252.314 0.077 10 10 CCCE CN[C@@H](C)c1ccc(N(C)[C@@H]2CC(=O)NC2=O)c(F)c1 2171207923 WFYVUZBYMFATTF-QPUJVOFHSA-N 279.315 0.957 10 10 CCCE CCO[C@@H]1CNC[C@H]1C(=O)N(C)Cc1ccccc1O 690069168 KBLLOZMPWFSEFQ-TZMCWYRMSA-N 278.352 0.975 10 10 CCCE NC(=O)N[C@H]1CCN(Cc2cc(N)ccc2O)C1 690710444 MHBKXYUMIXRMSQ-JTQLQIEISA-N 250.302 0.217 10 10 CCCE Cc1cc(N2C[C@H]3C(=O)NC(=O)[C@H]3C2)ccc1CN 386980460 NBFXSSAYVZBJGU-TXEJJXNPSA-N 259.309 0.163 10 10 CCCE Oc1cc2c(cc1CNCC[C@@H]1COC[C@H]1O)OCO2 2167632976 AIHRIEJOAIKPBP-BXKDBHETSA-N 281.308 0.608 10 10 CCCE CN[C@H](C)c1ccc(N2CCC[C@@H]2[C@@H](O)CO)cc1O 2179794441 HFGKDFDXTZVOTG-YVLXSGLVSA-N 280.368 0.995 10 10 CCCE CC1(CCC(=O)O)CN(C(=O)c2cc(O)nc(O)c2)C1 2179854362 TUXNMEQEJPIRNJ-UHFFFAOYSA-N 280.280 0.820 10 10 CCCE N=C(NO)C1CC(NC(=O)c2cc(O)c(O)c(O)c2)C1 2188919340 LZPVTVUZXFSJOQ-UHFFFAOYSA-N 281.268 0.268 10 10 CCCE NCc1cc(F)c(N2C[C@H]3COC[C@@H](C2)[C@H]3O)c(F)c1 2189073371 VIRVRKOOERCRCN-WDAIWFPHSA-N 284.306 0.867 10 10 CCCE C[C@]1(C(=O)NCCOc2ccc(N)cc2)COCCO1 2199204299 MNROVNQTCRDRJJ-CQSZACIVSA-N 280.324 0.569 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CC[C@H](O)[C@H]4CC[C@@H]43)ccc21 2190251997 IBOSUJGETLRTEZ-PYJNHQTQSA-N 273.336 0.988 10 10 CCCE NCc1ccc(N2C[C@H]3C[C@H]2[C@@H](O)[C@H]3O)cc1Cl 2042556788 PQKAULYLWQMRHI-ZJNJWXDTSA-N 268.744 0.729 10 10 CCCE CO[C@H](CCO)CNC(=O)c1ccc(O)c(O)c1 2049498229 JUDVXVIYSIVIJM-SECBINFHSA-N 255.270 0.225 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)[C@@H]2CNC3(CCC3)C2)C1 2049779881 CIXAWRXBAPVGNR-DCAQKATOSA-N 250.342 0.784 10 10 CCCE COC(=O)[C@@]1(NCCN=[N+]=[N-])CC(=O)NC[C@H](C)C1 2103929405 SSVOHCYXWLWRML-KCJUWKMLSA-N 269.305 0.344 10 10 CCCE CC[C@@H]1C[C@H](O)CN1C(=O)c1cc(O)nc(O)c1 2059499050 BWOHEKXSCXLNCF-BDAKNGLRSA-N 252.270 0.478 10 10 CCCE COc1cc(N)c(N2CCC(O)(CN)CC2)cc1OC 2191888833 SIESOERIASCJHK-UHFFFAOYSA-N 281.356 0.576 10 10 CCCE CCOC[C@H](O)CNC(=O)Nc1ccc(N)cc1 2071568471 MVSAIJMDAJDNMX-LLVKDONJSA-N 253.302 0.788 10 10 CCCE C[C@@](CO)(NC(=O)Cc1ccc(O)c(O)c1)C(F)F 2105089198 QUTNKGHLEDZFAD-LBPRGKRZSA-N 275.251 0.773 10 10 CCCE C[C@@H]1CCS(=O)(=O)N1CC(=O)Nc1ccc(N)cc1 2087267852 SRKWHDQWCWUIEZ-SECBINFHSA-N 283.353 0.631 10 10 CCCE CC1CC(NC(=O)c2cc(O)nc(O)c2)(C(=O)O)C1 2094130649 AIRDAGDERZJWIS-UHFFFAOYSA-N 266.253 0.476 10 10 CCCE CN1CC2CC1(CNCc1ccc(O)c(O)c1O)C2 2095751804 XKGGITKLTNAUPM-UHFFFAOYSA-N 264.325 0.987 10 10 CCCE CCNCc1ccc(OCC(=O)NC(N)=O)c(C)c1 2098790059 JHLPCPRDZNSUGZ-UHFFFAOYSA-N 265.313 0.678 10 10 CCCE Nc1ccc(CS(=O)(=O)NCC2CC(CO)C2)cc1 2112380001 CMUXPNSXYNFMND-UHFFFAOYSA-N 284.381 0.707 10 10 CCCE CN1CCCc2cc([C@H](O)CN3CC(N)C3)ccc21 2112981621 UELIKMMJLMCGPI-OAHLLOKOSA-N 261.369 0.745 10 10 CCCE Oc1ccc(CN[C@@H]2CCN(C3COC3)C2)cc1O 2113264681 XEXZQNGUSDLLKJ-LLVKDONJSA-N 264.325 0.661 10 10 CCCE C[C@H](c1cc(F)ccc1O)N1C[C@H](O)[C@@H](O)[C@H]1C(=O)O 2200861383 LYPNWGNKUHLTMU-IJOYTFPISA-N 285.271 0.083 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N3C[C@H]4C[C@H]3[C@@H]4CO)cc21 2203128304 JXOALPLEQGHQGG-BLJJELEKSA-N 273.336 0.480 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC[C@H]3[C@H](C[C@H]3O)C2)cc1 2232878456 DATCBFNYLPULJW-KWCYVHTRSA-N 296.392 0.801 10 10 CCCE CNCc1cc(OC)ccc1N1C[C@H](O)[C@H](O)[C@H]1CF 2235962381 GCTDXBBKUCVVPW-HZSPNIEDSA-N 284.331 0.295 10 10 CCCE O[C@H]1[C@H]2C[C@H](CN(c3ccc4c(c3)CCO4)C2)[C@H]1O 2226753253 UCIQPNKDGXKUFI-HGSJOUDDSA-N 261.321 0.799 10 10 CCCE Nc1ccc(CCN2C[C@H]3C[C@H](O)[C@H](O)C[C@H]3C2)cc1 2236973283 NCQCGYWBUIDJEE-UPUJQMMVSA-N 276.380 0.875 10 10 CCCE CNCc1cc(OC)ccc1N(C)CCNC(C)=O 2227680832 BZLYQBYZAWLXFF-UHFFFAOYSA-N 265.357 0.987 10 10 CCCE COc1cc2c(cc1OC)N(CCOCC(N)=O)CC2 2241025974 GXHKZMOPPCAHOF-UHFFFAOYSA-N 280.324 0.568 10 10 CCCE CSc1ncc(CNC[C@@H]2[C@H]3NCCO[C@H]23)s1 2248739921 VJSAJIGFSOMADI-OPRDCNLKSA-N 271.411 0.941 10 10 CCCE CC1(C)C(=O)NC[C@H]1NS(=O)(=O)Cc1ccc(N)cc1 2281289397 KGHRVKDCHANRLX-LLVKDONJSA-N 297.380 0.213 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NC[C@H]1[C@H]2CN[C@@H]1C2 2333096661 WBTIBPMUNCXBGG-OUAUKWLOSA-N 262.309 0.364 10 10 CCCE CCC[C@H](CC(=O)O)NC(=O)c1cc(O)nc(O)c1 135716398 VFNOEBVEEKBEIF-MRVPVSSYSA-N 268.269 0.866 10 10 CCCE CCN[C@H]1C(=O)Nc2cc(N3CCCNC(=O)C3)ccc21 115780501 RWBJAQYQHNCPLC-CQSZACIVSA-N 288.351 0.616 10 10 CCCE CCNC(=O)CS(=O)(=O)CCc1ccc(N)cc1 302393072 VERGHGGTGLZJHL-UHFFFAOYSA-N 270.354 0.362 10 10 CCCE CC(C)C1(O)CN(C(=O)c2cc(O)nc(O)c2)C1 89663119 ASGWERQLNNFUDU-UHFFFAOYSA-N 252.270 0.336 10 10 CCCE CN(CCC(=O)O)S(=O)(=O)Nc1ccc(O)cc1 88768936 CLVMQHDITOXBMI-UHFFFAOYSA-N 274.298 0.455 10 10 CCCE O=C(O)[C@H]1COCCN1Cc1ccc(O)c(O)c1 88382448 UTJYMDSGBXIGHK-SECBINFHSA-N 253.254 0.383 10 10 CCCE N[C@@H]1CCC[C@@H]1CNC(=O)c1ccc(O)c(O)c1 236308345 PXABNTBLYZHUOC-NXEZZACHSA-N 250.298 0.955 10 10 CCCE COc1cc2c(cc1OC)N(CC(=O)O)CCNC2 527431964 JQLHIWLKRKOYJL-UHFFFAOYSA-N 266.297 0.698 10 10 CCCE CN(C)c1ccc(/C=C/C(=O)NC[C@H](N)CO)cc1 701410830 RHHUCPVADAPZFP-ZCRIDZFUSA-N 263.341 0.202 10 10 CCCE NC(=O)[C@H]1C[C@@H](N)CN(c2ccc3c(c2)OCCO3)C1 2162657376 DEJMBEGMUMTPTR-VHSXEESVSA-N 277.324 0.097 10 10 CCCE C[C@@]1(C(=O)O)CN(Cc2ccc(O)cc2O)CCO1 711510878 SSEMEPZUEPZFKZ-ZDUSSCGKSA-N 267.281 0.773 10 10 CCCE COc1ccc(CN2CCN[C@H]3COC[C@@H]32)c(O)c1 2132558442 FTUVJZBLXWHJGD-STQMWFEESA-N 264.325 0.573 10 10 CCCE O=C(NCc1ccccc1O)NC[C@@H]1C[C@@H]2COC[C@@H]2O1 915524214 CIGVVMNPSIXZHE-DYEKYZERSA-N 292.335 0.995 10 10 CCCE O=S1(=O)CCC[C@@H](NCc2ccc(O)cc2O)C1 69141469 YDDCACDKWIDDFM-SNVBAGLBSA-N 271.338 0.765 10 10 CCCE CC[C@@H]1NCC[C@H]1NS(=O)(=O)Cc1ccc(N)cc1 1876476383 YDLFSIGUGFHTNQ-QWHCGFSZSA-N 283.397 0.829 10 10 CCCE Nc1ccc(CS(=O)(=O)NC[C@]23CNC[C@H]2C3)cc1 1876463518 RAOSNFRYRFHCHQ-YPMHNXCESA-N 281.381 0.298 10 10 CCCE C[C@H]1CN(S(=O)(=O)Cc2ccc(N)cc2)CC[C@@H]1N 1876538882 TWQHDXKWCXCTSX-GWCFXTLKSA-N 283.397 0.768 10 10 CCCE Cn1ncc(CN)c1NC(=O)Cc1ccc(N)cc1 1876664756 ICNHCESNAOSNFG-UHFFFAOYSA-N 259.313 0.642 10 10 CCCE NC(=O)[C@@H]1C[C@@H](O)CN1Cc1cccc(Cl)c1O 895369051 ZWQADILNUFOVOV-SCZZXKLOSA-N 270.716 0.466 10 10 CCCE C[C@]1(O)CCN(c2ccc(CN)cc2F)C[C@@]1(C)O 1880699449 VTUXVJRASWNXPC-UONOGXRCSA-N 268.332 0.997 10 10 CCCE C[C@@H](O)CN(C)S(=O)(=O)Cc1ccc(N)cc1 51818966 NWJHVEXIEGYAKG-SECBINFHSA-N 258.343 0.411 10 10 CCCE COC[C@H](NC(=O)CCc1ccc(N)cc1)C(=O)O 134697851 BUHGVGTXTQRQPF-NSHDSACASA-N 266.297 0.417 10 10 CCCE CC(=O)N1CCOc2cc(N3CCNCC3)ccc21 82319042 XMGBXIPHFXKLET-UHFFFAOYSA-N 261.325 0.842 10 10 CCCE CCn1nnc(CNC(=O)c2cccc(O)c2O)n1 1893059718 RNNDAXZTGKCYEV-UHFFFAOYSA-N 263.257 0.034 10 10 CCCE CN(C(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(N)cc1 1893237590 QEZRIWNTTCBXPS-JTQLQIEISA-N 283.353 0.602 10 10 CCCE O=C(NC[C@@H]1C[C@H]1C(=O)O)c1ccc(O)c(O)c1 715299500 ZECSHAKNVMAOMR-JGVFFNPUSA-N 251.238 0.548 10 10 CCCE Nc1ccc(NC(=O)N2C[C@@H](O)C[C@H]2CO)cc1 698161239 ZSSQTVIQAXXICF-QWRGUYRKSA-N 251.286 0.228 10 10 CCCE C[C@H](N[C@@H]1CCC(=O)NC1=O)c1cc(F)ccc1O 94618452 PLXGPCVVBOFBQY-OIBJUYFYSA-N 266.272 0.987 10 10 CCCE O=CN1CCC[C@H]1C(=O)NCc1cc(O)ccc1O 1455352316 HYWPBNUSPCIJIH-NSHDSACASA-N 264.281 0.335 10 10 CCCE NC(=O)[C@@H]1OCC[C@@H]1NC(=O)Nc1ccc(N)cc1 2117462238 GAXOMIKYBFXMGE-VHSXEESVSA-N 264.285 0.033 10 10 CCCE CN(C[C@H]1CNCCO1)c1ccc2c(c1)OCO2 214561813 WROWEKUADUWRLX-LLVKDONJSA-N 250.298 0.840 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC[C@@H]3[C@H](O)C[C@H]32)cc1 2121683629 FWUUDRTWLOKPJR-YNEHKIRRSA-N 282.365 0.554 10 10 CCCE CC1(C)CN(C(=O)c2cccc(O)c2O)CC(=O)N1 1964984936 CGGGNKBSZMYXMF-UHFFFAOYSA-N 264.281 0.448 10 10 CCCE CC(C)(C)OC(=O)N1CC(O)(CC(=O)NCCN=[N+]=[N-])C1 1965102811 UKFMVRBQEORSSF-UHFFFAOYSA-N 299.331 0.785 10 10 CCCE CN1C[C@@H]2C[C@H]1CN2S(=O)(=O)Cc1ccc(N)cc1 2131017847 NJTVGJGWZXAXDD-STQMWFEESA-N 281.381 0.487 10 10 CCCE C[C@H]1CN(Cc2cc(N)ccc2O)C2(CC2)C(=O)N1 2132031937 YLJWPAWNUWDUIG-VIFPVBQESA-N 261.325 0.827 10 10 CCCE [N-]=[N+]=NC1CCN(CCN2C(=O)CCC2=O)CC1 1912157820 ZIEGLOPEROBYQU-UHFFFAOYSA-N 251.290 0.910 10 10 CCCE Cc1cccc(CNC(=O)CNCCN(C)C)c1O 2139741035 GWCXCCLNBBTUPL-UHFFFAOYSA-N 265.357 0.468 10 10 CCCE CNC(=O)C1CCN(C(=O)c2ccc(O)c(O)c2)CC1 227015527 BKYBFUXVIOJASD-UHFFFAOYSA-N 278.308 0.696 10 10 CCCE CC(C)(CC(N)=O)NC(=O)CCOc1ccc(N)cc1 227049158 OWKXIFXWUOUFFE-UHFFFAOYSA-N 279.340 0.808 10 10 CCCE CC(=O)N[C@H]1CCN(c2ccc3c(c2)NC(=O)[C@@H]3N)C1 228283235 WPXCFBKFTLTCHL-TVQRCGJNSA-N 274.324 0.353 10 10 CCCE O=C(NC[C@@H]1[C@H]2CCNC[C@H]21)c1cc(O)nc(O)c1 2138561050 PNVHLOICBWXZFG-IVZWLZJFSA-N 263.297 0.078 10 10 CCCE CC[C@H](O)CNC(=O)c1ccn(-c2ccc(N)cc2)n1 124060363 NZQHKIBABLMJMJ-LBPRGKRZSA-N 274.324 0.955 10 10 CCCE NCc1ccc(N2C[C@@H](O)[C@H](O)C2)c(C(F)(F)F)c1 236231582 HYHKXTXHDGTJKJ-GHMZBOCLSA-N 276.258 0.706 10 10 CCCE COCC[S@@](=O)CCNCc1ccc(OC)cc1O 2142035064 KEJTZSZLPINLHH-IBGZPJMESA-N 287.381 0.886 10 10 CCCE NC(=O)[C@H]1CC[C@H](NC(=O)CCc2ccc(N)cc2)C1 2146218286 AOJJUFMEFGRDBD-AAEUAGOBSA-N 275.352 0.972 10 10 CCCE CCOC(=O)[C@H]1CNC[C@H]1c1cc(O)nc(O)c1 1952222522 SBYPKIKAKGEHBG-IUCAKERBSA-N 252.270 0.359 10 10 CCCE CN(C)c1ccc([C@@H]2CS(=O)(=O)CCN2)cc1F 1952592136 WKOPCLPBUBLUMN-NSHDSACASA-N 272.345 0.951 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N3CCC(O)CC3)cc21 155738528 XQKZMIPXCQBGQT-ZDUSSCGKSA-N 261.325 0.624 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3CCC(O)CC3)cc21 155738638 XQKZMIPXCQBGQT-CYBMUJFWSA-N 261.325 0.624 10 10 CCCE Nc1ccc(CN2CC[C@@H](N3CCCS3(=O)=O)C2)cc1 2146930996 ZVEAQLKMPVEMNC-CQSZACIVSA-N 295.408 0.879 10 10 CCCE CN1C(=O)C[C@@H](NCc2ccc3c(c2)CCCO3)C1=O 2143830053 LAVSKSFANKZCMT-GFCCVEGCSA-N 274.320 0.859 10 10 CCCE COC(=O)C[C@@H](N)c1c(O)cccc1S(C)(=O)=O 260751662 RYILOCZHJJYMQX-SSDOTTSWSA-N 273.310 0.359 10 10 CCCE C[C@](F)(CN)CS(=O)(=O)Nc1ccc(O)cc1 2000540515 PHYKBEMNUWATOM-JTQLQIEISA-N 262.306 0.821 10 10 CCCE O=S(=O)(C[C@@H]1CC[C@H]1O)Nc1ccc(O)cc1 2008742023 PSCNZXKAAAITKJ-GZMMTYOYSA-N 257.311 0.905 10 10 CCCE O=C1Nc2cc(N3C[C@@H]4C[C@H](O)[C@H]4C3)c(F)cc2[C@@H]1O 2151394415 WSUGGGRZGZDWCV-UWMJUKQCSA-N 278.283 0.628 10 10 CCCE CON(C)C1CN(CCOc2ccc(N)cc2)C1 2028064370 ITYXCVAMHUXFCW-UHFFFAOYSA-N 251.330 0.825 10 10 CCCE C[C@@H]1CCN(c2ccc3c(c2)NC(=O)[C@H]3N)C[C@@H]1O 300009364 NYBHWFRWTAPIFI-JCOFBHIZSA-N 261.325 0.846 10 10 CCCE C[C@@H](CS(N)(=O)=O)N[C@@H](C)c1ccc(O)cc1O 2035452400 GLYOCHZDSWXQCF-YUMQZZPRSA-N 274.342 0.425 10 10 CCCE Nc1ccc(NC(=O)NC2COCCOC2)cc1 310981720 RDDHIHVFJCOGKS-UHFFFAOYSA-N 251.286 0.806 10 10 CCCE O=C1Nc2cc(N3CC(F)(F)C[C@H]3CO)ccc2[C@H]1O 2159059728 KLVSESRBIOFJQS-GZMMTYOYSA-N 284.262 0.878 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CCC[S@](=O)CC3)ccc21 321570758 CGBBBKIJAKIFQU-BUXKBTBVSA-N 279.365 0.597 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN(C[C@@H](O)CN2CCCC2=O)C1 2169775641 MCSKYTYUYKQZNH-VXGBXAGGSA-N 281.360 0.992 10 10 CCCE COc1cccc(O)c1CN1CC(N2CCNCC2)C1 2160724408 ODMCJRMPPGTHPU-UHFFFAOYSA-N 277.368 0.490 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1C[C@]2(C(=O)O)C[C@H]12 2161018120 BICNGRXTUVLATM-RFXMVYNHSA-N 277.276 0.620 10 10 CCCE O=C(Nc1cnc2n1CCNC2)c1cc(O)nc(O)c1 2161297807 OIXCNUAEROURJE-UHFFFAOYSA-N 275.268 0.045 10 10 CCCE CC(C)CN1C[C@H](C(=O)NCCN=[N+]=[N-])CC1=O 706345780 ZLECEYLJAVALAE-SECBINFHSA-N 253.306 0.917 10 10 CCCE Cc1cc(CO)ccc1N1CC[C@@]2(C1)NC(=O)NC2=O 2170606444 CYUVUSUVOAXICL-AWEZNQCLSA-N 275.308 0.276 10 10 CCCE Oc1ccc(CNCCCn2cncn2)c(O)c1O 381698760 OCVWKEAVWLCZCJ-UHFFFAOYSA-N 264.285 0.575 10 10 CCCE N[C@@H]1CCC[C@H](NC(=O)c2cc(O)nc(O)c2)C1 382459693 UHZJADRKTRRXSD-BDAKNGLRSA-N 251.286 0.493 10 10 CCCE O[C@H](CF)COc1ccc(N2CCNCC2)cc1 386170859 YRMCBTVVIGFBLK-GFCCVEGCSA-N 254.305 0.805 10 10 CCCE O=C1Nc2cc(N3C[C@H]4COC[C@H]4C3)ccc2[C@H]1O 718269976 HYPZGRRLYNINPD-VYUIOLGVSA-N 260.293 0.755 10 10 CCCE C[C@H]1CN(C(=O)CCc2ccc(N)cc2)CC(=O)N1 387100172 FNKXCFPGHZESCC-JTQLQIEISA-N 261.325 0.548 10 10 CCCE CO[C@H]1C[C@H](OC)CN(C(=O)c2ccc(O)c(O)c2)C1 2165508374 XFIFSNSODVCUEW-QWRGUYRKSA-N 281.308 0.974 10 10 CCCE COC(=O)CS(=O)(=O)N[C@@H](C)c1ccccc1O 1259029988 JWDWXBXFIMEZTB-QMMMGPOBSA-N 273.310 0.546 10 10 CCCE N[C@H]1CCN(Cc2nc(-c3ccc(O)c(O)c3)no2)C1 2169279823 BTHDTVTZLMMVHC-VIFPVBQESA-N 276.296 0.681 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NC[C@H]1CC[C@H](O)C1 1140061349 IGTWRJXYCLDWLO-QWRGUYRKSA-N 265.309 0.918 10 10 CCCE CC(C)(C)[C@@H]1NCC[C@@H]1NC(=O)c1cc(O)nc(O)c1 2192472009 HEJZYUVWMUOZLD-JOYOIKCWSA-N 279.340 0.999 10 10 CCCE CN(Cc1ccccc1O)C(=O)c1c[nH]ccc1=NN 2192568081 UFFDONBIVHJLJA-UHFFFAOYSA-N 272.308 0.767 10 10 CCCE O=C(N[C@@H](C(=O)O)C(F)(F)F)c1cc(O)c(O)c(O)c1 2188868776 WTMVISZUHLNFMQ-ZETCQYMHSA-N 295.169 0.549 10 10 CCCE N[C@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)C[C@H]1C1CC1 2188929635 PXDPJLFGFSKBCZ-UWVGGRQHSA-N 278.308 0.613 10 10 CCCE CCCN1C[C@@H](O)[C@H](N2CCc3cc(CN)ccc32)C1 2189919052 XYTRDPJKNJUVCY-HZPDHXFCSA-N 275.396 0.963 10 10 CCCE CO[C@@]1(C(=O)C(=O)C[C@H]2C[C@H](N)C2)CCCNC1 2049784892 SDRUPUUBQBGLSS-KWBADKCTSA-N 254.330 0.021 10 10 CCCE N[C@@H]1CCOC[C@H]1CC(=O)C(=O)C[C@H]1C[C@H](N)C1 2049782691 LTRYHAFSBDBBQD-GWOFURMSSA-N 254.330 0.006 10 10 CCCE C[C@@]1(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)CNC(=O)C1 2052282545 SOEFQNXBBPIOCW-KCJUWKMLSA-N 251.290 0.671 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCN(S(=O)(=O)CC2CC(=O)C2)C1 2053112019 YJKDLFZAGXCXMH-QMMMGPOBSA-N 272.330 0.928 10 10 CCCE COc1ccc(O)c([C@@H](C)NCC(CO)CO)c1 2059269568 LRNKKTHIXKKMKA-SECBINFHSA-N 255.314 0.652 10 10 CCCE C[C@@H](C(=O)C(=O)C[C@H]1C[C@H](N)C1)C1CCNCC1 2067690100 SXVFXAHWQUWEAC-CKYFFXLPSA-N 252.358 0.888 10 10 CCCE C[C@@H](CO)[C@@H](C)NC(=O)c1cc(O)c(O)c(O)c1 2068576854 KPBBVCDCFUIBAW-NKWVEPMBSA-N 255.270 0.550 10 10 CCCE NC(=S)c1cc(NC(=O)c2cccc(O)c2O)ncn1 2186642972 WDGOTKRKLHYPPU-UHFFFAOYSA-N 290.304 0.774 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@H]3C[C@H]2[C@H]3N)cc1 2071736784 NXZFPNQQOHKFHL-USWWRNFRSA-N 267.354 0.130 10 10 CCCE C[C@H](NS(=O)(=O)[C@H]1C[C@H](N)C1)c1ccccc1O 2072492178 ZEGLEXIGOBGDRM-GUBZILKMSA-N 270.354 0.862 10 10 CCCE Cn1cnc(COc2ccc(N3CCNCC3)cc2)n1 2197721696 JJNFVKMYICYXAL-UHFFFAOYSA-N 273.340 0.804 10 10 CCCE Nc1ccc(CN2CC[C@](CO)(C(=O)O)C2)cc1 2076935718 PEKISWOFCSBPMV-ZDUSSCGKSA-N 250.298 0.538 10 10 CCCE C[C@H](c1cc(O)ccc1O)N1CCC[C@@](O)(CN)C1 2101323097 XZEQEGPTCDXEHB-QMTHXVAHSA-N 266.341 0.944 10 10 CCCE CN(C)[C@H]1CC[C@@H]1NC(=O)COc1ccc(N)cc1 2101502349 HQUFUGQNSNGBJV-STQMWFEESA-N 263.341 0.856 10 10 CCCE CN[C@H](C)c1ccc(N2CC(OC)(C(N)=O)C2)cc1 2104901452 YMOFFAAZYZIWDX-SNVBAGLBSA-N 263.341 0.658 10 10 CCCE O=C(CC[C@H]1CCN1)NCCc1ccc(O)c(O)c1 2109481908 GVQVDGLLTAEUQP-NSHDSACASA-N 264.325 0.899 10 10 CCCE CCCNC(=O)C1CN(Cc2cc(N)ccc2O)C1 2111744366 ISJJHOKDJYUKPG-UHFFFAOYSA-N 263.341 0.932 10 10 CCCE CNCc1ccc(N2CCC([C@H](O)CO)CC2)cc1 2096158369 QXBUJMIGJMCJEU-OAHLLOKOSA-N 264.369 0.976 10 10 CCCE COc1ccc(N2CC[C@@H](O)[C@@](C)(O)C2)c([N+](=O)[O-])c1 2201531447 YJYWTWBFXOCFGJ-OLZOCXBDSA-N 282.296 0.925 10 10 CCCE COc1cc(N2CCN3C(=O)CC[C@@H]3C2)ccc1CN 2204546616 BFZZROFLHTTXON-CYBMUJFWSA-N 275.352 0.965 10 10 CCCE CNCc1ccc(N2C[C@H](O)[C@H](O)[C@H]2CF)cc1OC 2205607266 FENCXSWMRVSQEO-MBNYWOFBSA-N 284.331 0.295 10 10 CCCE Nc1ccc(NC(=O)N[C@@H]2CCC[C@@H](O)[C@@H]2O)cc1 2224341827 HWARBTCPISHNSE-IJLUTSLNSA-N 265.313 0.665 10 10 CCCE [N-]=[N+]=N[C@@H]1CCC[C@H]1NC(=O)[C@@H]1[C@@H]2CS(=O)(=O)C[C@@H]21 2225802277 YEFKQBGWLQIAKW-JDDHQFAOSA-N 284.341 0.625 10 10 CCCE O[C@@H]1C[C@@H]2CN(c3ccc4c(c3)CCO4)CCN2C1 2226751714 CMAQSOMOVLJABI-ZIAGYGMSSA-N 260.337 0.877 10 10 CCCE CO[C@@H]1CCN[C@H](C)[C@H]1NC(=O)c1cccc(O)c1O 2238452462 QABRCRUAKIUPGK-GGZOMVNGSA-N 280.324 0.593 10 10 CCCE CN[C@H](C)c1ccc(N2CC[C@@H]2[C@@H](O)CO)cc1 2258342196 VMVGHDBKRMEXNU-HONMWMINSA-N 250.342 0.899 10 10 CCCE OCc1ccc(N2CC[C@@H]2[C@H](O)CO)c(Cl)c1 2249562767 HNDAIPXHZHVPIL-VXGBXAGGSA-N 257.717 0.764 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H]2C[C@H](C1)[C@H]2O 2270679609 CABUABOBNGDJAW-AKZRSSKFSA-N 265.265 0.256 10 10 CCCE COc1cc(C)c(N2CCOC[C@@]2(CN)CO)c(C)c1 2285053755 NOUZKYHNCCIIJO-OAHLLOKOSA-N 280.368 0.838 10 10 CCCE COc1cc(OC)c(N2CCNC[C@@H]2CO)c(OC)c1 2287139593 PYIJTFHAKGCZHO-SNVBAGLBSA-N 282.340 0.483 10 10 CCCE CC[C@@]1(NC(=O)COc2ccc(N)cc2)CCNC1=O 2288969643 YHUCGKXNEKIWHY-CQSZACIVSA-N 277.324 0.433 10 10 CCCE CNCc1ccc(N2CC3(CN(C)C(=O)CO3)C2)cc1 2289727633 ABTNEFFWYNIBNJ-UHFFFAOYSA-N 275.352 0.453 10 10 CCCE CCNC=C1C(=O)NC(=O)N(c2ccccc2OC)C1=O 2297315972 SRBCOGWPCIZVRX-UHFFFAOYSA-N 289.291 0.771 10 10 CCCE C[C@H](O)c1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CF)cc1 2311995366 IHLQQPKXFCRCQB-KNDHEWATSA-N 255.289 0.620 10 10 CCCE Cc1cc(N2CC([C@H](O)CO)C2)ccc1[C@@H](C)N 2315148054 ZFWQRBLWAZYIMP-QMTHXVAHSA-N 250.342 0.804 10 10 CCCE Nc1ccc(CCN2C(=O)[C@H]3COC[C@@H]3C2=O)cc1 2338358235 AHHXIZVAFXMSFR-RYUDHWBXSA-N 260.293 0.443 10 10 CCCE CN(C)CCC(=O)N1CCc2cc(O)c(O)cc2C1 2341194034 MNKVPWBTCGYDCZ-UHFFFAOYSA-N 264.325 0.934 10 10 CCCE COc1ccc(N2CCNC[C@@H]2CC(N)=O)cc1F 2343259888 KITCGCUNAOELPC-JTQLQIEISA-N 267.304 0.488 10 10 CCCE C[C@@H](C(=O)Nc1ccc(N)cc1)N1CCNC(=O)C1(C)C 110652379 HTPJUZJOXXKNKX-JTQLQIEISA-N 290.367 0.806 10 10 CCCE COC(=O)C1CCC(NC(=O)c2cc(O)nc(O)c2)CC1 130476147 YMJRMLKYUMGGOV-UHFFFAOYSA-N 294.307 0.954 10 10 CCCE C[C@H]1CN(C[C@@H](O)COc2ccc(N)cc2)C[C@@H]1N(C)C 226051039 XKPYHSOTFGBJPO-BJJXKVORSA-N 293.411 0.890 10 10 CCCE CS[C@H](CO)[C@@H](C)NC(=O)c1ccc(O)c(O)c1 227040785 REKSYBMXUDRZTA-RDDDGLTNSA-N 271.338 0.940 10 10 CCCE Nc1ccc(CS(=O)(=O)NCc2ncc[nH]2)cc1 80567221 AYCPWSIIBOVOHR-UHFFFAOYSA-N 266.326 0.612 10 10 CCCE CC(=O)C(=O)COC(=O)c1ccc(-n2cnnn2)c(C)c1 808502082 WYQPNZBNBGGTOR-UHFFFAOYSA-N 288.263 0.286 10 10 CCCE CN1CCN(C)[C@@H]([C@@H](O)c2ccc3c(c2)CCN3C)C1 2163064961 ZNTVZZPUVBQRMK-CVEARBPZSA-N 275.396 0.958 10 10 CCCE CC(C)n1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)nn1 806568773 BINNUXYUPAOKCI-UHFFFAOYSA-N 277.284 0.293 10 10 CCCE CN[C@H]1CC[C@@H]1CNC(=O)c1cc(O)c(O)c(O)c1 2132405796 BSLSUELRLOTLAP-APPZFPTMSA-N 266.297 0.531 10 10 CCCE CCN[C@H]1CC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2132408183 UZIXEQGMHZWXAC-IUCAKERBSA-N 266.297 0.674 10 10 CCCE C[C@H](O)CN(CCO)C(=O)Nc1ccc(N)cc1 386460903 FEYWGLPOJFITEN-VIFPVBQESA-N 253.302 0.476 10 10 CCCE CN(C)c1ccc(/C=C/CN2CCO[C@@H](C(N)=O)C2)cc1 835028098 PFJNSWDHAISEJV-NHZBNJEXSA-N 289.379 0.952 10 10 CCCE COc1c([N+](=O)[O-])ccc(CN2CC(C)(C(N)=O)C2)c1O 843415450 FWMDMMIMVPSFEQ-UHFFFAOYSA-N 295.295 0.616 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC[C@H]3CNC[C@H]32)cc1 1876404693 ZVXNHXDGSOOJOZ-WCQYABFASA-N 281.381 0.392 10 10 CCCE COCCCOCC(=O)NCc1cccc(O)c1O 1123978635 WLGCSPQZQBOGNU-UHFFFAOYSA-N 269.297 0.767 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NCCc1ccon1 1137976340 AQHDSEJGVLXRBP-UHFFFAOYSA-N 262.265 0.987 10 10 CCCE COc1cc(N)c(N2CCC2(CO)CO)cc1OC 1879987814 XOEJZZAGGBAQCE-UHFFFAOYSA-N 268.313 0.220 10 10 CCCE COC1CC(CN)(NC(=O)c2cccc(O)c2O)C1 1899842322 ONAKPGHGJHRZED-UHFFFAOYSA-N 266.297 0.334 10 10 CCCE Cc1ccc(O)c([C@H](N)c2nnc([C@H](O)C(=O)O)o2)c1 83588008 KHRBGGUVIKKKIV-IUCAKERBSA-N 279.252 0.250 10 10 CCCE COc1cccc(CN2C[C@H](O)C[C@@H]2C(=O)O)c1O 1963442592 YOJGHIOEFLFWCK-NXEZZACHSA-N 267.281 0.421 10 10 CCCE O=C(NCc1c(O)cccc1O)[C@@]1(O)CCSC1 1178911557 NEPMLUVAVBWQOD-GFCCVEGCSA-N 269.322 0.582 10 10 CCCE CN(C(=O)c1nc[nH]c1C(=O)O)c1ccc(N)cc1 702126689 UZMOYHCSDQNDPS-UHFFFAOYSA-N 260.253 0.967 10 10 CCCE CCc1cccc(CNC[C@@H](C)S(N)(=O)=O)c1O 691483143 OYKHDQBJOLWSTR-SECBINFHSA-N 272.370 0.721 10 10 CCCE COc1ccc(CN2CCO[C@H]3CNC[C@@H]32)c(O)c1 686535528 UECCIOFDPAXWLE-JSGCOSHPSA-N 264.325 0.573 10 10 CCCE O=C(N[C@H](CO)CC(F)(F)F)c1cc(O)nc(O)c1 717757408 AAPNRSLVMYVLQR-LURJTMIESA-N 280.202 0.536 10 10 CCCE C[C@@H](c1ccc(F)cc1O)N1CCNC[C@@H]1C(=O)O 88658903 ASBXBKPMTDHUOW-GZMMTYOYSA-N 268.288 0.951 10 10 CCCE Cc1ccc(O)c(CN[C@]2(C)CCC(=O)NC2=O)c1 2116209785 XJTYGCXGRIJCIS-CQSZACIVSA-N 262.309 0.986 10 10 CCCE CN1CCN(c2ccc3c(c2)OCO3)[C@H](CO)C1=O 217059463 IBOWUCABDPJYLX-SNVBAGLBSA-N 264.281 0.055 10 10 CCCE CN(C[C@H]1[C@@H]2CS(=O)(=O)C[C@H]12)c1ccc(CN)cc1 2118016114 PIFRIHGIGKDPSG-ZSOGYDGISA-N 280.393 0.872 10 10 CCCE Cn1cc([C@H](O)C(=O)NCc2ccc(O)c(O)c2)cn1 1545636817 GTMHQYFPCRSKRF-LBPRGKRZSA-N 277.280 0.181 10 10 CCCE O=C(NC[C@H](CO)[C@H]1CCOC1)c1c(F)ccc(O)c1O 1611209725 MMJHISROHTVDSH-DTWKUNHWSA-N 299.298 0.612 10 10 CCCE CN(C[C@H](O)CO)C(=O)c1ccc(N=NC(N)=O)cc1 1545818988 VPRJICFNYDKINU-JTQLQIEISA-N 280.284 0.274 10 10 CCCE O=C(NCc1c(O)cccc1O)c1ccc2c(c1)COB2O 1558536378 WKVBKHHBWQOMGE-UHFFFAOYSA-N 299.091 0.246 10 10 CCCE C[C@H](NC(=O)c1nnc(O)nc1O)c1ccccc1O 1642831243 UMLMTTWSLIPUBD-LURJTMIESA-N 276.252 0.479 10 10 CCCE O=C1Nc2cc(N3C[C@@H]4[C@H](CO)[C@@H]4C3)ccc2[C@@H]1O 2125593969 AJNZPFDJRFXQPW-NOHGZBONSA-N 260.293 0.347 10 10 CCCE Nc1ccc(OCC(=O)N2CCC=C[C@H]2CO)cc1 2125943898 WNZXJBDKZQFYJG-LBPRGKRZSA-N 262.309 0.797 10 10 CCCE C[C@@H]1CO[C@@H](CO)CN1c1cc2c(cc1N)OCC(=O)N2 166995033 KPXAEMZUBSAQHJ-RKDXNWHRSA-N 293.323 0.186 10 10 CCCE CN1CCN(c2ccc3c(c2)CC[C@@H]3O)[C@@H](CO)C1 2128315911 XVPMFIFGWASSSA-HIFRSBDPSA-N 262.353 0.779 10 10 CCCE COC1(C(=O)NCCc2ccc(O)c(O)c2)CC1 843831929 IYDVUQRYSPZLRE-UHFFFAOYSA-N 251.282 0.936 10 10 CCCE CN(C)c1ccc(C=CC(=O)N[C@H]2CNC[C@@H]2O)cc1 1911900942 OAXBKCHXAFJVJQ-KBPBESRZSA-N 275.352 0.215 10 10 CCCE CN(C)c1ccc(C=CC(=O)NC(C)(CO)CO)cc1 1912137735 SDORUOZZWLDFJO-UHFFFAOYSA-N 278.352 0.625 10 10 CCCE N[C@H](CO)[C@H]1CCN(c2ccc3c(c2)OCO3)C1 107944049 SNFZWEXKYGFRMO-GXSJLCMTSA-N 250.298 0.561 10 10 CCCE NCc1ccc(N2C[C@H](O)[C@H](O)[C@H]2CF)c(F)c1F 2140661894 JGLUGBGGDFLCTO-VDDIYKPWSA-N 276.258 0.303 10 10 CCCE COc1ccc(N2CC[C@H]3C[C@H]2[C@@H](O)[C@H]3O)c(N)c1 2134818610 ZMPDMJVSAAHDTD-PWURMNTRSA-N 264.325 0.598 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N3CCC[C@@H](O)C3)ccc21 218454499 RZNHSTXPRPBHRS-ZWNOBZJWSA-N 261.325 0.860 10 10 CCCE COc1ccc(CN(C)[C@@H]2CCNC2=O)c(O)c1 1916797384 DMJAAXWEWJXWJR-LLVKDONJSA-N 250.298 0.721 10 10 CCCE C[C@H]1CCN(CC(=O)Nc2ccc(N)cc2)[C@@H]1CO 226910901 HEPPHYBRYXMVHA-GXFFZTMASA-N 263.341 0.910 10 10 CCCE Nc1ccc(CCC(=O)N(CCCO)CCCO)cc1 1922155809 YNHVUTGXPSYOBD-UHFFFAOYSA-N 280.368 0.795 10 10 CCCE C[C@H]1CS(=O)(=O)CCN1c1cc2c(cc1N)OCCO2 228721797 GBJKDKBFWYVDTF-VIFPVBQESA-N 298.364 0.663 10 10 CCCE Cc1ccc(CNC2CN([C@@H](C)C(=O)O)C2)c(O)c1 2139761995 MOAIWLKKAJFGAG-JTQLQIEISA-N 264.325 0.948 10 10 CCCE NC1C[C@@H]2C(C(=O)NCCc3ccc(O)c(O)c3)[C@H]2C1 1968738888 HEHNYQWBTHKWFW-JXJNQWLDSA-N 276.336 0.740 10 10 CCCE CCN(CC)CCN[C@@H](C(N)=O)c1cc(F)ccc1O 233455087 DXJSZVNLHZLEKI-CYBMUJFWSA-N 283.347 0.989 10 10 CCCE Nc1ccc(OCC(=O)NC[C@H](N)C2CCC2)cc1 2137709771 WRFMIXFHTCURCU-ZDUSSCGKSA-N 263.341 0.891 10 10 CCCE CNC(=O)[C@@H]1CNCCN1[C@@H](C)c1c(O)cccc1O 234369850 HSDASPORWWBXGY-UWVGGRQHSA-N 279.340 0.179 10 10 CCCE NC[C@@H]1CCn2c(nnc2-c2ccc(O)c(O)c2)C1 236162059 ZUYRTPBDROOGBV-MRVPVSSYSA-N 260.297 0.877 10 10 CCCE CN(C)Cc1cc(CC2(C(=O)O)CNC2)ccc1O 1952393504 GEVJKFBHPSJKAO-UHFFFAOYSA-N 264.325 0.671 10 10 CCCE CO[C@@H](C)[C@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)O 2144028974 GCXBKKBXZYMDSL-MADCSZMMSA-N 283.280 0.245 10 10 CCCE Nc1ccc(O)c(CN2C[C@]3(CO)CC[C@@]3(CO)C2)c1 2145734710 FHZBFWIYMPUDPG-GJZGRUSLSA-N 278.352 0.541 10 10 CCCE CN(Cc1ccc(N)cc1)C(=O)c1cnc(O)nc1O 2148889526 ANOBMLQOMPLVGS-UHFFFAOYSA-N 274.280 0.742 10 10 CCCE CC[C@@H](O)c1ccc(N2CCOC[C@@H]2[C@@H](O)CO)cc1 2146322487 BMLVCFBLGVNSQM-KFWWJZLASA-N 281.352 0.688 10 10 CCCE COCCN(CCOC)C(=O)COc1ccc(N)cc1 40305082 KLTIVNXTMJLTGI-UHFFFAOYSA-N 282.340 0.769 10 10 CCCE CCCNC(=O)CN(C)S(=O)(=O)Cc1ccc(N)cc1 40346545 MHGIYBCPCBTDQM-UHFFFAOYSA-N 299.396 0.557 10 10 CCCE [N-]=[N+]=NCCCNC(=O)[C@@H]1[C@@H]2CS(=O)(=O)C[C@@H]21 2006135467 YGQGUVZQPSURMI-RNLVFQAGSA-N 258.303 0.094 10 10 CCCE CC(=O)C(=O)[C@H](O)c1cn(C)nc1C(F)(F)F 2008993670 JDYVOXSLFFNEKK-SSDOTTSWSA-N 250.176 0.630 10 10 CCCE Cc1cccc(CNS(=O)(=O)[C@H](C)CN)c1O 2024813544 ZKYLOEDWAYHFTF-SECBINFHSA-N 258.343 0.467 10 10 CCCE CO[C@H]1CN(C(=O)c2cccc(O)c2O)C[C@H]1F 2029811539 GNGZQWYTWGORDK-SCZZXKLOSA-N 255.245 0.907 10 10 CCCE C[C@@H](N[C@H](CO)CCCO)c1ccc(O)cc1O 2029922269 KVAAXSRPULVCFB-ZJUUUORDSA-N 255.314 0.882 10 10 CCCE CN(CCCNCc1ccc(N)cc1)S(C)(=O)=O 2031664813 KGSHYFXWDDHOEC-UHFFFAOYSA-N 271.386 0.640 10 10 CCCE Nc1ccc(CCC(=O)N2C[C@H](O)[C@@H]3COC[C@H]32)cc1 2158410863 RVPLRNSSQORZRR-MCIONIFRSA-N 276.336 0.420 10 10 CCCE CNC(=O)CN1CCN(c2ccc(CO)cc2)CC1 700787683 YNVONVXYCIMGLM-UHFFFAOYSA-N 263.341 0.047 10 10 CCCE COc1cccc(O)c1CN1CCN(C2CNC2)CC1 2160725006 QCNKQGBGHMKKQZ-UHFFFAOYSA-N 277.368 0.490 10 10 CCCE Cc1cc(N2CCN3C(=O)NC(=O)[C@@H]3C2)ccc1CN 2171305617 TYEFNASSAXOLOS-LBPRGKRZSA-N 274.324 0.194 10 10 CCCE CN1C[C@@H](C(=O)N2CCC[C@H]2CN=[N+]=[N-])CC1=O 701263268 BENNPYIYLYGKKG-IUCAKERBSA-N 251.290 0.766 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CC(n4cccn4)C3)ccc21 707677718 WJJKKIFKTDCZJR-ZDUSSCGKSA-N 269.308 0.896 10 10 CCCE CCO[C@H]1CNC[C@H]1C(=O)NCc1ccccc1O 690173507 ZQYAUXNEWWSCSU-YPMHNXCESA-N 264.325 0.633 10 10 CCCE CC1(C)CN(CC(=O)c2ccc(O)c(O)c2)C[C@H]1O 388951899 YTCIYQZVZNVQPV-CYBMUJFWSA-N 265.309 0.983 10 10 CCCE NS(=O)(=O)N1CCC(NCc2ccccc2O)CC1 698596428 IRGIZQKGVXFSRD-UHFFFAOYSA-N 285.369 0.150 10 10 CCCE Oc1ccc(CN[C@H]2CC23CC(O)C3)c(O)c1O 724933880 FVCJYFGGLPTXOE-SLYADPJGSA-N 251.282 0.806 10 10 CCCE Cc1cc(O)n2ncc(C(=O)N3CCC(O)CC3)c2n1 2062319531 MTOYULDJQHAARW-UHFFFAOYSA-N 276.296 0.340 10 10 CCCE CS(=O)(=O)[C@@H]1CCN(C(=O)CCc2ccc(N)cc2)C1 2179912876 CUKFJDUJSVHJSM-CYBMUJFWSA-N 296.392 0.847 10 10 CCCE O=C1CN(CC(=O)c2ccc(O)c(O)c2)[C@H]2CC[C@@H]2N1 2168357109 BBPCRSNAVLNCQB-UWVGGRQHSA-N 276.292 0.243 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)[C@H]2Cc3ccccc3CN2)C1 2168887149 DXOPICPOEIKYOO-LERXQTSPSA-N 272.348 0.967 10 10 CCCE C[C@H](NC(=O)[C@]12CNC[C@@H]1COC2)c1ccccc1O 2192621949 IJTUXOYSNUUSTB-RWSFTLGLSA-N 276.336 0.805 10 10 CCCE NC[C@@]12CCC[C@H]1CCN2C(=O)c1cc(O)nc(O)c1 2197350171 ZCKAWDPQHMJBNU-HZMBPMFUSA-N 277.324 0.836 10 10 CCCE NCc1ccc2c(c1)CCN2CC(=O)N1CCOCC1 2189917524 ZFANWVQEJAJVIH-UHFFFAOYSA-N 275.352 0.367 10 10 CCCE O[C@H]1CCc2cc(N3CCN4C[C@H](O)C[C@@H]4C3)ccc21 2184737085 BPHOTKLVEYJXHQ-FMKPAKJESA-N 274.364 0.921 10 10 CCCE C[C@@H]1CNC(=O)C[C@@](NCCN=[N+]=[N-])(C(=O)O)C1 2042117598 HQLBBPQFHAJMLE-OIBJUYFYSA-N 255.278 0.256 10 10 CCCE CNCCC[C@H](C)NC(=O)c1cc(O)nc(O)c1 2049143497 QSAIHFMSAWAXTO-QMMMGPOBSA-N 253.302 0.611 10 10 CCCE C[C@H](O)[C@H]1C[C@@H]1NCc1cc2c(cc1O)OCO2 2061890198 AEFOUIFBBCUKLR-SFGNSQDASA-N 251.282 0.980 10 10 CCCE CCN1C[C@H]2C[C@H]1CN2c1ccc2c(c1)NC(=O)[C@@H]2N 2187593295 HQBXAUYFGJICOM-MISXGVKJSA-N 272.352 0.921 10 10 CCCE NCCCC1CN(C(=O)c2cccc(O)c2O)C1 2078783867 UDXGHPYBDWTFLG-UHFFFAOYSA-N 250.298 0.909 10 10 CCCE C[C@@H](c1ccccc1O)N1C[C@H](O)C[C@H]1C(=O)O 2080569175 ZWARBQBWMGDUQL-NGZCFLSTSA-N 251.282 0.973 10 10 CCCE COc1ccc(N2CCO[C@H]3CNC[C@H]32)cc1OC 2106362787 OZAWIEBLJOPPMR-RISCZKNCSA-N 264.325 0.881 10 10 CCCE Nc1ccc(CCN2C[C@@H]3CS(=O)(=O)C[C@H]3C2)cc1 2087859952 INRXYQLZRSXSIE-CHWSQXEVSA-N 280.393 0.788 10 10 CCCE O=C(NCC[C@@H]1COC[C@H]1O)c1ccc(O)c(O)c1 2111286636 FLIWLCCUXAZRPR-BXKDBHETSA-N 267.281 0.225 10 10 CCCE N[C@H]1C[C@H](S(=O)(=O)Nc2ccc(O)cc2[N+](=O)[O-])C1 2094470729 QDJDBEJREATRRB-FKQCQYRASA-N 287.297 0.532 10 10 CCCE CN[C@@H](C)c1ccc(N(C)C2CS(=O)(=O)C2)cc1O 2095903715 GBOAEFRQGWVFSR-VIFPVBQESA-N 284.381 0.906 10 10 CCCE O=c1c2c(ccn1C[C@@H](O)c1ccco1)CCNC2 2113429787 QJGBDLOROIPGPN-GFCCVEGCSA-N 260.293 0.821 10 10 CCCE CC(C)[C@@H]1C(=O)NCCN1Cc1cc(N)ccc1O 2113699689 OKAHCKSBOZFMHP-CYBMUJFWSA-N 263.341 0.931 10 10 CCCE N[C@@H]1C[C@@H](F)CN(C(=O)c2cccc(O)c2O)C1 2219146687 VTCQWNBIGNTJEP-HTQZYQBOSA-N 254.261 0.609 10 10 CCCE OC[C@@H]1CN(c2ccc3c(c2)OCCO3)C[C@@H]1O 2219597073 FVEXBVYHMUAJOV-ONGXEEELSA-N 251.282 0.247 10 10 CCCE COc1ccc(N(C)CCNC(C)=O)c(CN)c1 2220414127 INESVZFGEZEHGD-UHFFFAOYSA-N 251.330 0.726 10 10 CCCE Oc1cc2c(cc1CN[C@@H]1CCC[C@H](O)[C@H]1O)OCO2 2232544286 ZOEVVKPKPKGYOB-BFVZDQMLSA-N 281.308 0.485 10 10 CCCE COc1cc(C)c(N2CCOC[C@@H]2[C@@H](O)CO)cc1C 2235107784 FXEVEPSVYCZLKV-KGLIPLIRSA-N 281.352 0.870 10 10 CCCE COc1ccc(N2CCCN(CCO)CC2)c(CO)c1 2235999584 KZGDDWOZBUQAEY-UHFFFAOYSA-N 280.368 0.692 10 10 CCCE OC[C@H]1CN(c2ccc3c(c2)OC(F)(F)O3)C[C@H]1O 2226705988 KKKYLXLFGRLUFA-VXNVDRBHSA-N 273.235 0.798 10 10 CCCE CN1CCc2cc(N3CCC(CO)(CO)C3)ccc21 2226808840 MUEVYUZCZTUWIM-UHFFFAOYSA-N 262.353 0.860 10 10 CCCE Nc1ccc(CCN2C[C@H]3C[C@@H](O)[C@@H](O)C[C@H]3C2)cc1 2236979497 NCQCGYWBUIDJEE-SDSIWUNFSA-N 276.380 0.875 10 10 CCCE CN(Cc1ccccc1O)C(=O)c1c[nH]nc1CN 2227021361 XVDJCPLEBCYDQI-UHFFFAOYSA-N 260.297 0.846 10 10 CCCE CNCc1cc(OC)ccc1N1CCC[C@@H]1C(N)=O 2227681759 KURYOERICRGZLU-CYBMUJFWSA-N 263.341 0.869 10 10 CCCE NC(=O)[C@@H]1C[C@H](N)CN(c2ccc(OCF)cc2)C1 2278489623 WEMOTKAIYKQXPV-ZJUUUORDSA-N 267.304 0.631 10 10 CCCE CO[C@H]1CN[C@H](C(=O)NCc2cnc(SC)s2)C1 2256943328 QUTQUCAYKATBCO-APPZFPTMSA-N 287.410 0.858 10 10 CCCE OCC(F)(F)C1(O)CN(c2ccc3c(c2)CC[C@@H]3O)C1 2288528238 TUWKFTJNKZGDRW-LBPRGKRZSA-N 285.290 0.845 10 10 CCCE CO[C@H](CO)CNCc1ccc2c(c1)CCN2C 2263474143 BYXTXSCQXLQVKZ-ZDUSSCGKSA-N 250.342 0.776 10 10 CCCE Nc1ccc(CN2C[C@H]3OCC[C@@]3(C(=O)O)C2)cc1 2278922042 LTJBDVJIFXSAEG-TZMCWYRMSA-N 262.309 0.944 10 10 CCCE Cc1ccc([C@@H](C)N[C@@H]2CCO[C@@H]2C(N)=O)c(O)c1 2296679540 HWMQIXXLIMFLJP-XWIASGKRSA-N 264.325 0.994 10 10 CCCE CN1CCO[C@H](CNC(=O)C=Cc2ccc(O)c(O)c2)C1 2307986790 BTHWJVAZQXDYAD-GFCCVEGCSA-N 292.335 0.558 10 10 CCCE CSc1ncc(CN[C@@](CN)(CF)C(=O)O)s1 2306092945 MOTKXCINCKVVPV-SECBINFHSA-N 279.362 0.706 10 10 CCCE O=C(O)C[C@@H]1C[C@@H]1CNC(=O)c1cc(O)nc(O)c1 2335883872 NIJCCAIPJRTTFF-POYBYMJQSA-N 266.253 0.333 10 10 CCCE NC(=O)NC1CN(c2ccc(CO)c(C3CC3)c2)C1 2339158122 RAEKAXWCESZXIZ-UHFFFAOYSA-N 261.325 0.913 10 10 CCCE COc1ccc(N2C[C@@H](C(N)=O)C3(CC3)C2)c(N)c1 2344327722 AKYYHNOJEABQHV-JTQLQIEISA-N 261.325 0.979 10 10 CCCE CNC(=O)CCCOC(=O)Cc1ccc(N)cc1 68820546 RTLLMZRBWCGBGD-UHFFFAOYSA-N 250.298 0.881 10 10 CCCE COC(=O)CCS(=O)(=O)NCCCN=[N+]=[N-] 42536679 MFTOYIAPDZUGMB-UHFFFAOYSA-N 250.280 0.169 10 10 CCCE COc1ccc(S(=O)(=O)N=[N+]=[N-])cc1C(N)=O 34669536 JGOSRHNCQHHGID-UHFFFAOYSA-N 256.243 0.793 10 10 CCCE NCCNC(=O)[C@H]1CCCN(Cc2ccc(O)c(O)c2)C1 63178463 NHEHUICPLUPXPD-LBPRGKRZSA-N 293.367 0.385 10 10 CCCE CNS(=O)(=O)Nc1ccnn1-c1ccc(N)cc1 126119954 SGGZKWDBKDTZGX-UHFFFAOYSA-N 267.314 0.331 10 10 CCCE CCOCCN(C)C[C@@H](O)COc1ccc(N)cc1 211468119 HSSQUBLGJDDTGF-CYBMUJFWSA-N 268.357 0.977 10 10 CCCE COCCCNC(=O)[C@H](C)OC(=O)Cc1ccc(N)cc1 41098636 BMVZWPVZHYMSIM-NSHDSACASA-N 294.351 0.896 10 10 CCCE O=C(NC[C@@]1(CO)CCCOC1)c1cccc(O)c1O 700866028 NVFWKYMGXDKJPJ-CQSZACIVSA-N 281.308 0.617 10 10 CCCE N[C@H]1CCCC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2132413044 JKPFJMMGHPXINF-IUCAKERBSA-N 266.297 0.803 10 10 CCCE CNC(=O)CN1CCN(c2ccc([C@H](C)N)cc2)CC1 723202803 WXEKCDWBBXZKFE-LBPRGKRZSA-N 276.384 0.574 10 10 CCCE CC[C@H]1CN(C(=O)c2cc(O)nc(O)c2)CC[C@H]1NC 721621134 DQDAEBJBSWHACV-GXSJLCMTSA-N 279.340 0.953 10 10 CCCE COc1ccc(N2C[C@H]3C[C@H]2CN3C(N)=O)c(N)c1 1877071250 DTUGSOCOCIIFPC-DTWKUNHWSA-N 262.313 0.619 10 10 CCCE CC[C@H]1NCC[C@@H]1NS(=O)(=O)Cc1ccc(N)cc1 1876476382 YDLFSIGUGFHTNQ-OLZOCXBDSA-N 283.397 0.829 10 10 CCCE CC[C@@H]1CNCCN1C(=O)COc1ccc(N)cc1 1876474379 ZFEGODPSYNYRIC-GFCCVEGCSA-N 263.341 0.858 10 10 CCCE Nc1ccc(OCCC(=O)N[C@H]2CCONC2)cc1 1876440914 ACGSHEUFTQGMTH-NSHDSACASA-N 265.313 0.447 10 10 CCCE CO[C@@H]1CNCC[C@H]1Nc1c(N)cccc1C(N)=O 1876474770 DMXOKTOTKWFAOJ-GHMZBOCLSA-N 264.329 0.157 10 10 CCCE CO[C@H]1CNCC[C@@H]1Nc1c(N)cccc1C(=O)O 1876475291 KIJVPYUPHSFAEL-QWRGUYRKSA-N 265.313 0.756 10 10 CCCE Nc1cccc(C(=O)O)c1N[C@H]1CCOC[C@H]1CO 1878779983 YAZXFXHNHNIVKM-KCJUWKMLSA-N 266.297 0.776 10 10 CCCE CCOC(=O)CCCS(=O)(=O)NCCN=[N+]=[N-] 1964006115 XGEIZQNSTGZTRP-UHFFFAOYSA-N 264.307 0.559 10 10 CCCE O=C(O)CCC(=O)[C@@H]1NCCc2cc(O)c(O)cc21 83723867 GXWJLDNNIGJKJF-CYBMUJFWSA-N 265.265 0.719 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCCOC1 1468698086 DOLCFJUPHFZCED-SNVBAGLBSA-N 251.282 0.936 10 10 CCCE CN(CC(=O)O)c1ccc2c(c1)NC(=O)CCO2 77430317 XYZYLIFPCCZVEF-UHFFFAOYSA-N 250.254 0.928 10 10 CCCE NC(=O)[C@@H]1CN(Cc2cccc(Cl)c2O)C[C@@H]1C(N)=O 693451971 BXVPTUWKGYBZDJ-DTORHVGOSA-N 297.742 0.064 10 10 CCCE CN(CCCS(C)(=O)=O)Cc1cc(N)ccc1O 694225187 NATMHKAGJLNEOW-UHFFFAOYSA-N 272.370 0.841 10 10 CCCE C[C@H](N[C@H]1CCC(=O)NC1=O)c1cc(O)ccc1O 89754681 QCDGBXNAEULJJT-XVKPBYJWSA-N 264.281 0.554 10 10 CCCE C[C@H]1SC(=S)N(CC(=O)NC[C@@H]2CCCO2)C1=O 11635495 LURIUDHHSXTYRK-SFYZADRCSA-N 288.394 0.530 10 10 CCCE CN1CCN(CCOc2cc(N(C)C)ccc2N)CC1 213689629 ZEFGMSGTKHKUDY-UHFFFAOYSA-N 278.400 0.961 10 10 CCCE [N-]=[N+]=N[C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)C1 1912158698 YYHUXPXUPNNQGW-JGVFFNPUSA-N 258.303 0.332 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCN(CC(=O)NCCCC(=O)O)C1 1912151785 LKUNDIUPZJYDTF-VIFPVBQESA-N 269.305 0.600 10 10 CCCE NC[C@]12C[C@H]1CC[C@@H]2NC(=O)c1ccc(O)c(O)c1 2132141732 QEFIAUZEMCNZJO-LJWDBELGSA-N 262.309 0.955 10 10 CCCE NCc1nnc2n1CCN(Cc1ccccc1O)C2 2138513565 NKFKYRGXEOLJML-UHFFFAOYSA-N 259.313 0.458 10 10 CCCE NCc1ccc(N2CC[C@H]3C[C@H]2[C@@H](O)[C@H]3O)cc1F 2134818688 ZUJOAPGRHVZMGZ-PWURMNTRSA-N 266.316 0.605 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1C[C@H]2CC[C@@]2(CO)C1 1901747321 KRNFUFNGJHYXGM-RNCFNFMXSA-N 264.281 0.337 10 10 CCCE CCN1CCN(c2ccc3c(c2)NC(=O)[C@@H]3N)CC1 102453158 RHGWIDPGGCGIKC-CYBMUJFWSA-N 260.341 0.780 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@H]2CN3CCC2CC3)cc1 21810902 AGDFHAHBCQZZEW-CQSZACIVSA-N 295.408 0.782 10 10 CCCE COc1cc(N2CCC[C@@H](C(N)=O)C2)ccc1CO 2139704587 NUXUWJGPDXARLN-SNVBAGLBSA-N 264.325 0.889 10 10 CCCE Nc1ccc(CNCC2(S(N)(=O)=O)CC2)cc1 1944064557 NJOJGUFYBFZRMN-UHFFFAOYSA-N 255.343 0.180 10 10 CCCE C[C@@]1(O)CON(CCCC(=O)Nc2ccc(N)cc2)C1 2149797833 WMVSLDHZISFBDB-AWEZNQCLSA-N 279.340 0.986 10 10 CCCE C[C@@H](CC(N)=O)N(C)CC(=O)N(C)c1ccc(N)cc1 2151339327 CBDHKJNTTBQGKP-JTQLQIEISA-N 278.356 0.427 10 10 CCCE N[C@H](CCCCNC(=O)c1ccc(O)c(O)c1)C(=O)O 2151558290 KLGNIVLIIFLIGH-SECBINFHSA-N 282.296 0.410 10 10 CCCE O=C1Nc2cc(N3CCOC[C@@H](CO)C3)ccc2[C@@H]1O 2154501252 DRGPPWZWZZVYIQ-RNCFNFMXSA-N 278.308 0.117 10 10 CCCE [N-]=[N+]=NCCCCN1CC[C@@H]2C(=O)NC(=O)[C@@H]2C1 2040925154 NSCDTRLATCTJJG-DTWKUNHWSA-N 251.290 0.671 10 10 CCCE Nc1ccc(OC[C@H](O)CN2CCC[S@](=O)CC2)cc1 321820594 CSDYBEAEAJZMGQ-XCLFUZPHSA-N 298.408 0.463 10 10 CCCE C[C@@H]1CNCCN(C(=O)c2cccc(O)c2O)C1 323748406 RSCKSDUQGUTZFQ-SECBINFHSA-N 250.298 0.779 10 10 CCCE CC(=O)c1cc(F)cc(CN2C[C@@H](O)C[C@H](O)C2)c1O 2161372648 VJEOXCNNWFCVCZ-RYUDHWBXSA-N 283.299 0.661 10 10 CCCE CN1C(=O)[C@@H](O)c2ccc(N3CCO[C@H](CF)C3)cc21 2172040815 HVMSYTBQPLNKHU-MFKMUULPSA-N 280.299 0.871 10 10 CCCE O=C(N[C@H](C(=O)O)C(F)(F)F)c1cccc(O)c1O 706951023 CNXUMZYBAWQSCQ-SSDOTTSWSA-N 279.170 0.843 10 10 CCCE CCN1CC[C@H]1CNC(=O)c1ccc(O)c(O)c1 712288272 CMNWXMAESWQKSR-JTQLQIEISA-N 250.298 0.922 10 10 CCCE CS(=O)(=O)CCS(=O)(=O)N1CCC[C@H]1CN=[N+]=[N-] 692808097 XDOQXJKFTJYHEI-QMMMGPOBSA-N 296.374 0.136 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3CC(O)(COC)C3)ccc21 384119722 JCLJKDAOUIEAFX-LBPRGKRZSA-N 277.324 0.097 10 10 CCCE O=C(NCCCN1CCC1)c1cccc(O)c1O 697345163 TXYTURKDSQKNIX-UHFFFAOYSA-N 250.298 0.923 10 10 CCCE CN1CCc2cc(CN3CCC(O)(CN)CC3)ccc21 397085313 SFHAZPIXHOTZCJ-UHFFFAOYSA-N 275.396 0.965 10 10 CCCE CN1CCC(O)(CNCc2cccc(O)c2O)CC1 397595870 PVJZWWHYYMGFOG-UHFFFAOYSA-N 266.341 0.644 10 10 CCCE N[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)C2(CCC2)C1 2169197892 MYDZQLURDTVWMV-SNVBAGLBSA-N 277.324 0.979 10 10 CCCE CS(=O)(=O)[C@H]1CCN(C(=O)COc2ccc(N)cc2)C1 2179915124 WHQCLYPOWOMWJZ-LBPRGKRZSA-N 298.364 0.293 10 10 CCCE CNCc1ccc(N2CCN3C(=O)NC(=O)[C@H]3C2)cc1 2171305085 NGVPQVJTASULHA-GFCCVEGCSA-N 274.324 0.146 10 10 CCCE O=C(NC[C@@H]1CC[C@@H]1C(=O)O)c1cc(O)c(O)c(O)c1 2188868289 OQNOZZDSKZIPRH-XPUUQOCRSA-N 281.264 0.644 10 10 CCCE C[C@H]1CNCC[C@H]1CNC(=O)c1cc(O)c(O)c(O)c1 2188918244 CJLJLCSVUXZMQR-IUCAKERBSA-N 280.324 0.779 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@H]2C[C@@H]3CC[C@H](C2)N3)cc1 2191632166 WBJWKAADMHDCIX-BTTYYORXSA-N 295.408 0.971 10 10 CCCE CSCCS(=O)(=O)NCCc1ccc(O)c(O)c1 2053723128 SZJMRUHAGNWPQM-UHFFFAOYSA-N 291.394 0.923 10 10 CCCE C[C@H]1C[C@H](NC(=O)c2cc(O)c(O)c(O)c2)CN1 2068625510 YUSCFTBUIFQHJO-XPUUQOCRSA-N 252.270 0.284 10 10 CCCE OC[C@@]1(CNCc2ccc(O)cc2O)CCCO1 2073626532 GFBMAKUNMMAGEA-ZDUSSCGKSA-N 253.298 0.729 10 10 CCCE Cc1cc(CO)ccc1N1CC[C@@](C)(O)[C@H](O)C1 2077297509 XYHBRYNLCYQVPU-ZIAGYGMSSA-N 251.326 0.809 10 10 CCCE COc1ccc(N2CCNC[C@H](O)C2)c(F)c1F 2081860719 FQHRFBSTLGBRDO-QMMMGPOBSA-N 258.268 0.744 10 10 CCCE COc1cc(N(C)CC(=O)N(C)C)ccc1CO 2084015718 DDMUDTLTYXWAAD-UHFFFAOYSA-N 252.314 0.712 10 10 CCCE COc1cccc(O)c1CNCc1nnc(O)n1C 2104447311 BMRQWRLWLNCEIV-UHFFFAOYSA-N 264.285 0.525 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1C[C@@H]2CNC[C@H]2C1 2087729221 LDIGWGZKGUKPLL-QWRGUYRKSA-N 262.309 0.318 10 10 CCCE O=C(NC[C@@]1(O)CCCOC1)c1cccc(O)c1O 2111796520 WUTYLZHDYNISFV-ZDUSSCGKSA-N 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N[C@H]1CCc2cc(N3C[C@@H](O)[C@@H](O)[C@H]3CF)ccc21 2333236709 VJMCRHNSDIUNCO-DGAVXFQQSA-N 266.316 0.513 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)[C@@H]2C[C@H]3CNC[C@H](C3)C2)C1 2334594825 OZIBQLXNOAGADC-VFDFPUOBSA-N 264.369 0.888 10 10 CCCE CC(C)NS(=O)(=O)N1CCc2cc(O)c(O)cc2C1 2341215948 FSSARKKEFNUWNF-UHFFFAOYSA-N 286.353 0.699 10 10 CCCE CC(C)CNCc1ccc(N(CC(N)=O)CC(N)=O)cc1 62738309 MMQYQPHPGMDLIJ-UHFFFAOYSA-N 292.383 0.209 10 10 CCCE COCC[C@@H](CO)NCc1ccc(O)c(O)c1O 302326802 RMWZGVDKHGDDOU-VIFPVBQESA-N 257.286 0.290 10 10 CCCE COC[C@H](N)CN(C)C(=O)c1cccc(O)c1O 126828139 ILSUBKNHWXIFKJ-MRVPVSSYSA-N 254.286 0.144 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1[C@H]2CC[C@@H]1[C@@H](O)[C@@H](O)C2 2357024823 MYYVCYJERSNLDX-GAQJKIJGSA-N 279.292 0.197 10 10 CCCE CC[C@@H](CN)N1CCN(C(=O)c2cccc(O)c2O)CC1 125947497 IWQUXQMBRJIACX-NSHDSACASA-N 293.367 0.593 10 10 CCCE CN(C)C[C@](C)(O)CNCc1ccc(O)c(O)c1 226761251 GPKAZVDIYVWAOZ-CYBMUJFWSA-N 254.330 0.500 10 10 CCCE CS[C@@H](CO)[C@H](C)NC(=O)c1ccc(O)c(O)c1 227040794 REKSYBMXUDRZTA-CPCISQLKSA-N 271.338 0.940 10 10 CCCE C=CC(=O)NCCC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 274885577 BOCASCNHXOOTIP-SNVBAGLBSA-N 292.335 0.837 10 10 CCCE O=C(N[C@@H]1C[C@H](C(=O)O)[C@@H]2C[C@H]12)c1cc(O)nc(O)c1 2166185549 QBPAJSRZGPZPDC-RYPBNFRJSA-N 278.264 0.332 10 10 CCCE C[C@H]1[C@@H](NS(=O)(=O)Cc2ccc(N)cc2)CCN1C 719429874 NLXUDVGOPJYEAI-GWCFXTLKSA-N 283.397 0.781 10 10 CCCE CNCCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 851665086 PXSLTSVZSAPWHS-GFCCVEGCSA-N 292.383 0.793 10 10 CCCE COc1cccc(O)c1CNCC1(N)CCOCC1 863481581 JKKFFGXUFIXIHJ-UHFFFAOYSA-N 266.341 0.998 10 10 CCCE COc1cccc(CNC(=O)N[C@@H]2CCN[C@H]2C)c1O 861700427 CXVYXJBTVJBNQK-GXSJLCMTSA-N 279.340 0.950 10 10 CCCE CO[C@@H]1C[C@@H](O)CN(C(=O)Nc2ccc(N)cc2)C1 1876152531 HIGJPTXPQUXJSD-VXGBXAGGSA-N 265.313 0.882 10 10 CCCE Nc1ccc(CC(=O)N2C[C@@H]3CNCC[C@H]3C2)cc1 1876420222 CLTSFTFDZQSUOK-STQMWFEESA-N 259.353 0.879 10 10 CCCE CNC[C@H]1CCN(C(=O)COc2ccc(N)cc2)C1 1876450855 HOIBNXCGXFZDMR-LLVKDONJSA-N 263.341 0.716 10 10 CCCE NC[C@H]1C[C@H](Nc2c(N)cccc2C(=O)O)CCO1 1876469071 XOCFKHXTTKIXJC-RKDXNWHRSA-N 265.313 0.885 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@H](CO)CC1CC1 1568488259 IRVSFPWFCHDLHE-NSHDSACASA-N 265.309 0.918 10 10 CCCE CC(C)(CO)c1nnc([C@@H](N)c2ccc(O)cc2O)o1 83588884 LZGSWOKJCWRFIM-JTQLQIEISA-N 279.296 0.799 10 10 CCCE NC(=O)CC[C@H](NCc1ccccc1O)C(=O)O 84847063 TVBHQMGYNQRZJF-VIFPVBQESA-N 252.270 0.201 10 10 CCCE C[C@]12CNC[C@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 703595740 PALIPAUPPFKUPM-TVQRCGJNSA-N 263.297 0.174 10 10 CCCE COC[C@@H](ON)C(=O)N(C)Cc1ccc(N(C)C)cc1 710506076 IKUJDZKALLCJAA-CYBMUJFWSA-N 281.356 0.616 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC1(C(F)F)CC1 697381685 KPSBLIALWDIKOS-QMMMGPOBSA-N 286.278 0.882 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CC[C@@H]4[C@@H](O)C[C@H]43)ccc21 2121681915 ANNUEXJYXCYLND-RYDUCSDGSA-N 259.309 0.598 10 10 CCCE C[C@H]1CN(c2ccc3c(c2)OCO3)[C@H](CO)CN1 214568568 RUMYDSCRSUCPJU-ONGXEEELSA-N 250.298 0.574 10 10 CCCE CN(C)c1ccc(CN2C(=O)COC[C@@H]2CN)cc1 216985804 YXFBUHCCDNMCAE-ZDUSSCGKSA-N 263.341 0.439 10 10 CCCE Cn1ccc(NC(=O)CNC(=O)c2cccc(O)c2O)n1 1634388470 LIMNFTLVOUUZHF-UHFFFAOYSA-N 290.279 0.200 10 10 CCCE CO[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@H]1O 1635567751 XJXAFSORPYSZBA-UXOHQCDBSA-N 279.292 0.329 10 10 CCCE CCC[C@H]1C(=O)NCCN1C(=O)Cc1ccc(O)c(O)c1 1567263750 HBOXYOLXYMAHLQ-NSHDSACASA-N 292.335 0.767 10 10 CCCE CN1C[C@@H](O)C[C@@]1(C)C(=O)NCc1cc(O)ccc1O 1651225823 ZPIKVUMGACKPRC-FZMZJTMJSA-N 280.324 0.169 10 10 CCCE CS(=O)(=O)[C@H]1CC[C@@H](NC(=O)c2cccc(O)c2O)C1 1965350444 XFTSWGPZQYPBCV-BDAKNGLRSA-N 299.348 0.793 10 10 CCCE CCS(=O)(=O)Nc1ccc(O)c(C(=O)OC)c1 1253348707 KVRWSASVSWJAIF-UHFFFAOYSA-N 259.283 0.940 10 10 CCCE Cc1nn(CC(=O)N2CC(N=[N+]=[N-])C2)c(C)c1[N+](=O)[O-] 1912164486 WSFBUKPASFFEGI-UHFFFAOYSA-N 279.260 0.929 10 10 CCCE CCOC(=O)[C@H](O)CN1CCC(CN=[N+]=[N-])CC1 1912211161 SVAONFWQGBWSIT-SNVBAGLBSA-N 256.306 0.933 10 10 CCCE CCN(CCC(=O)Nc1ccc(N)cc1)S(C)(=O)=O 1913813817 SNMCDQXSDMRHDJ-UHFFFAOYSA-N 285.369 0.879 10 10 CCCE NCc1cc(F)c(N2C[C@H](O)[C@@H](O)[C@@H]2CF)cc1Cl 2140661081 DJOLLHTYJIZLFY-SRVKXCTJSA-N 292.713 0.818 10 10 CCCE CS(C)(=O)=NC[C@@H](O)COc1ccc(N)cc1 1913535331 MKQFKMSNVCMENN-SNVBAGLBSA-N 258.343 0.736 10 10 CCCE Nc1cc2c(cc1N1CC[C@](F)(CO)C1)NC(=O)CO2 1917047514 WWHKXFXHDGIKIQ-CYBMUJFWSA-N 281.287 0.510 10 10 CCCE O=C(O)[C@H]1C[C@@H](O)CN(Cc2cc(F)ccc2O)C1 2136341391 ZTEVYVBKUYDDMC-GXSJLCMTSA-N 269.272 0.799 10 10 CCCE COc1cc(N2C[C@H](O)[C@@H](N(C)C)C2)ccc1CO 2139703345 XKSZTKCMUCDCJY-STQMWFEESA-N 266.341 0.299 10 10 CCCE COCCNC(=O)[C@H](C)N[C@H](C)c1c(O)cccc1O 234642905 IBSMRDVGRDVKIO-ZJUUUORDSA-N 282.340 0.900 10 10 CCCE C[C@@H]1[C@H]2CNC[C@@H]2CN1C(=O)c1cccc(O)c1O 126702825 DLJORNOCNLEUEN-FXPVBKGRSA-N 262.309 0.778 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)c1n[nH]cc1C(=O)O 1951702629 ZVFPGYFRILILPO-QMMMGPOBSA-N 263.253 0.762 10 10 CCCE CCN(CC)c1ccc([C@H](N)[C@H](O)C(=O)O)c(OC)c1 1952103286 MRQUFKKCJDERCW-STQMWFEESA-N 282.340 0.987 10 10 CCCE CN(CC1CC(O)C1)c1ccc2c(c1)N(C)C(=O)[C@H]2N 131405168 SYDLICDPMYMMIW-IUVQJJGASA-N 275.352 0.870 10 10 CCCE O=S1(=O)CC[C@H](CNCc2ccc(F)c(F)c2O)N1 1972928562 AQNBVXGUMRCOGD-MRVPVSSYSA-N 292.307 0.452 10 10 CCCE O=C1Nc2cc(N3C[C@@H]4OCCO[C@H]4C3)ccc2[C@H]1O 2149770531 JRLHPNRVNXSFRP-RWMBFGLXSA-N 276.292 0.276 10 10 CCCE C[S@](=O)CCNC(=O)c1ccn(-c2ccc(N)cc2)n1 157738046 UVKGFVGYBDIESC-HXUWFJFHSA-N 292.364 0.563 10 10 CCCE O=c1c2c(ccn1C[C@@H]1CCCCS1(=O)=O)CCNC2 2150798132 QUFSQHKPWMZADS-LBPRGKRZSA-N 296.392 0.461 10 10 CCCE COC(=O)c1cccc(N)c1N[C@H]1CN(C)C[C@H]1OC 2151776957 VRCHKLYKZWLVSC-NWDGAFQWSA-N 279.340 0.796 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)OC[C@H]1CCOC1 49688312 RRUXIJONJWKDAD-QWRGUYRKSA-N 281.308 0.547 10 10 CCCE COC[C@H](N[C@H](C)c1c(O)cccc1O)C(N)=O 2034942391 YXCFPUCVXMYTJP-SFYZADRCSA-N 254.286 0.249 10 10 CCCE Oc1cccc(CNCC[C@@]2(O)CCOC2)c1O 404214917 YOQODUSNXFUUQC-CYBMUJFWSA-N 253.298 0.729 10 10 CCCE O=C1CCC(=O)N1CCNCc1ccc(O)c(O)c1O 405284638 FJXWZCCBZOURCO-UHFFFAOYSA-N 280.280 0.042 10 10 CCCE O=C(NCC(F)(F)C(=O)O)c1cccc(O)c1O 310809506 ZFPHMKYPJJYEQN-UHFFFAOYSA-N 261.180 0.548 10 10 CCCE Nc1ccc(CCNS(=O)(=O)N2CCC[C@@H]2CO)cc1 2161842326 ZBRVLSWHKJQNOG-CYBMUJFWSA-N 299.396 0.102 10 10 CCCE CN(c1ccc(CNC2CC2)cc1)[C@H]1CC(=O)NC1=O 2171191280 XHJBWJSJEQTUAV-ZDUSSCGKSA-N 273.336 0.790 10 10 CCCE CN1C[C@H]2CN(CC(=O)c3ccc(O)c(O)c3)C[C@@H]2C1 706252527 GKIWNAOKAHDQIA-RYUDHWBXSA-N 276.336 0.774 10 10 CCCE CN(CC(C)(CO)CO)C(=O)c1cccc(O)c1O 708368972 SNHMHQKOPJWNSW-UHFFFAOYSA-N 269.297 0.161 10 10 CCCE C[C@H](ON)C(=O)N(C)Cc1ccc(N(C)C)cc1 708809407 YNTFVGMWSLSJKC-JTQLQIEISA-N 251.330 0.990 10 10 CCCE COCCNCc1ccc(N(C)CCC(N)=O)c(F)c1 381988207 OLFLHWGCFSYWPV-UHFFFAOYSA-N 283.347 0.873 10 10 CCCE NC1[C@H]2CN(c3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@H]12 2164055148 PEJLCYUZEJYTDG-YUMQZZPRSA-N 277.280 0.759 10 10 CCCE COc1cc(Cl)cc(CN[C@@H]2CN(C)NC2=O)c1O 393895400 ICFSEBGHIIBIIV-SECBINFHSA-N 285.731 0.489 10 10 CCCE CO[C@H]1COC[C@@H]1N(C)c1cc2c(cc1N)OCCO2 2177271407 PQTYSYXYATVYDQ-FZMZJTMJSA-N 280.324 0.890 10 10 CCCE CNC(=O)CCCNC(=O)CCOc1ccc(N)cc1 398295804 JGNXIBZVRWSPTP-UHFFFAOYSA-N 279.340 0.680 10 10 CCCE COC[C@@H](C)NC(=O)c1cnn2c(O)cc(C)nc12 2062423432 OVECVJDTOJUMSS-MRVPVSSYSA-N 264.285 0.508 10 10 CCCE OC[C@@H]1C[C@H](N[C@@H]2CCc3cccc(O)c32)[C@H](O)[C@@H]1O 2177957174 XSTFQZPAFQZSLW-OJBMOBIPSA-N 279.336 0.072 10 10 CCCE O=C(O)[C@@H]1C[C@@H]2CN(C(=O)c3ccc(O)c(O)c3)C[C@H]21 2174295887 DTBHMBKAYAJKKN-OPRDCNLKSA-N 277.276 0.891 10 10 CCCE CS(=O)(=O)Cc1noc(COCc2ccc(N)cc2)n1 2169807626 DRHPXGSKIUCUOX-UHFFFAOYSA-N 297.336 0.913 10 10 CCCE COC(=O)[C@@H](CN(C)Cc1ccccc1O)NC(C)=O 2192592995 VRBTUTGLONJLOE-GFCCVEGCSA-N 280.324 0.502 10 10 CCCE C[C@H](NS(=O)(=O)c1cn(C)[nH]c1=N)c1ccccc1O 2192619969 NGJPKAWTOQJGIG-QMMMGPOBSA-N 296.352 0.578 10 10 CCCE C[C@H]1CNCCN1S(=O)(=O)N[C@H](C)c1ccccc1O 2192630913 BWRQAPFCDJQWEL-WDEREUQCSA-N 299.396 0.581 10 10 CCCE O=C(N[C@H](CO)c1cscn1)c1cc(O)c(O)c(O)c1 2188867886 ITKGEPNPFBPCSQ-SSDOTTSWSA-N 296.304 0.723 10 10 CCCE CCN(C(=O)c1cc(O)c(O)c(O)c1)[C@@H]1CCNC1=O 2188924228 PQKUUTPWMXQCFX-MRVPVSSYSA-N 280.280 0.154 10 10 CCCE C[C@@H]1CC[C@@H](CNC(=O)c2cc(O)c(O)c(O)c2)CN1 2188917933 ANNBZBUGCDMVIS-RKDXNWHRSA-N 280.324 0.921 10 10 CCCE Nc1ccc(OCC(=O)NC[C@]2(CO)CCCO2)cc1 2194010546 BTCRPIROPHMUSK-AWEZNQCLSA-N 280.324 0.305 10 10 CCCE COC[C@H](CCO)NCc1c(O)cccc1OC 2042569055 IYKRYHIEEUEDEW-JTQLQIEISA-N 255.314 0.888 10 10 CCCE CNC(=O)OCCCNCc1ccc(O)cc1O 2042963989 SHRSKHGLFXUWGI-UHFFFAOYSA-N 254.286 0.934 10 10 CCCE C[C@H]1C(=O)NC(=O)CN1c1ccc2c(c1)CCC[C@@H]2N 2184685515 YKHBTYKTVVASKW-ZANVPECISA-N 273.336 0.874 10 10 CCCE C[C@@H](O)[C@@H](N)C(=O)NCc1ccc(N(C)C)cc1 2052972494 UJDISCIBGJELMX-BXKDBHETSA-N 251.330 0.077 10 10 CCCE COC1(CCNC(=O)COc2ccc(N)cc2)CNC1 2191650080 MOWKVDMUUDCWLR-UHFFFAOYSA-N 279.340 0.142 10 10 CCCE [N-]=[N+]=NCCN[C@]1(C(N)=O)C[C@@H]2[C@H]3CC[C@@H](O3)[C@H]21 2068377533 OWSDAKFIZAGYQW-LPZLMQDUSA-N 251.290 0.308 10 10 CCCE C[C@@H](c1ccccc1O)N1CC[C@@](O)(C(=O)O)C1 2076876722 FUPVPFCVMSCEPV-ZANVPECISA-N 251.282 0.975 10 10 CCCE COC[C@](C)(CCO)NC(=O)c1cc(O)nc(O)c1 2101793244 PQLAWTSBJAELGK-LBPRGKRZSA-N 270.285 0.010 10 10 CCCE COc1cc(N2CC[C@@H](O)[C@@H](O)C2)ccc1CO 2084012632 SMTUEWGGWUJMDU-NEPJUHHUSA-N 253.298 0.119 10 10 CCCE Cc1cccc(CNC(=O)[C@@H]2COC[C@H]2N)c1O 2084062313 DILLMFLCORYJLD-GHMZBOCLSA-N 250.298 0.291 10 10 CCCE COc1cccc(O)c1CN[C@@H](C)C1CS(=O)(=O)C1 2104433661 JVUFNCZDVBDNRU-VIFPVBQESA-N 285.365 0.924 10 10 CCCE C[C@@H]1CNCCN1S(=O)(=O)Nc1ccc(O)c(F)c1 2105929377 JBHMXFQRIATMOY-MRVPVSSYSA-N 289.332 0.482 10 10 CCCE COc1ccc(N2CCN[C@@H](CCO)C2)c(OC)c1 2106386957 ZQSISXROUJCSEL-NSHDSACASA-N 266.341 0.864 10 10 CCCE CC[C@H]1CNCCN1C(=O)Cc1ccc(O)c(O)c1 2087727152 OJZPNFVSWKZJER-NSHDSACASA-N 264.325 0.851 10 10 CCCE O=C1Nc2cc(N3CC(N4CCC4)C3)ccc2[C@H]1O 2095925275 DKBSHUUJQQEJBT-CYBMUJFWSA-N 259.309 0.566 10 10 CCCE Cn1nnc2c1CCN(c1ccc(CN)c(F)c1)C2 2114038839 RWWHABRGVFVKOT-UHFFFAOYSA-N 261.304 0.976 10 10 CCCE COc1ccc(N2C[C@@H](O)C[C@H]2CO)cc1OC 2219643674 UVDFCEJPFAKJCF-QWRGUYRKSA-N 253.298 0.636 10 10 CCCE COc1ccc(N2CC(N3CCCC3=O)C2)c(CN)c1 2235971860 HFJUHXLHXUFBKF-UHFFFAOYSA-N 275.352 0.965 10 10 CCCE CN(C(=O)CN1CC=C[C@@]1(C)CO)c1ccc(N)cc1 2237170885 MEPLVBPSZWXWKQ-HNNXBMFYSA-N 275.352 0.854 10 10 CCCE [N-]=[N+]=NCCCCN1C[C@H]2[C@@H](C1)[C@@H]1C[C@H]2[C@@H](O)[C@@H]1O 2228744007 ZMCFYBBLKSJIHL-HDLKOFKZSA-N 266.345 0.996 10 10 CCCE COCCNC[C@@H](O)COc1ccc(N(C)C)cc1 2229387976 SDMLGAVZXAYUBM-CYBMUJFWSA-N 268.357 0.728 10 10 CCCE Nc1ccc(CS(=O)(=O)NC[C@]2(F)CCOC2)cc1 2229933998 HCQDKQKWOOKOQK-GFCCVEGCSA-N 288.344 0.817 10 10 CCCE CSc1ncc(CNS(=O)(=O)[C@@H](C)C(=O)O)s1 2248615696 WUAOYPPHZQSXIY-YFKPBYRVSA-N 296.395 0.758 10 10 CCCE CO[C@@H](C(=O)O)C(=O)NCc1cnc(SC)s1 2248614195 ANMALVHOIIFPPG-ZCFIWIBFSA-N 276.339 0.581 10 10 CCCE Oc1ccc(-c2noc([C@H]3CC[C@@H](O)CN3)n2)cc1O 2279172708 OGKWVBVBKVSELB-RKDXNWHRSA-N 277.280 0.933 10 10 CCCE C[C@@H](C(=O)Nc1ccc(N)cc1)N1C[C@@H]2C[C@H](C1)[C@@H]2O 2286208023 KPBGBJONEKWHKR-KZWBYHQPSA-N 275.352 0.908 10 10 CCCE C[C@H](N)c1ccc(N2C[C@@H](O)[C@@H]3COC[C@@H]32)cc1O 2329194326 DIYBRBVWWIEHKW-RBQWDTSBSA-N 264.325 0.608 10 10 CCCE O=C(N[C@H]1C[C@@H](CO)[C@H]2C[C@@H]12)c1cccc(O)c1O 2329879572 ILYDWVQMZGIGBG-IANFPDNMSA-N 263.293 0.845 10 10 CCCE Nc1ccc(NC(=O)CN2C[C@@H]3C[C@H](O)[C@H]2C3)cc1 2330788458 MSRURGRDLBRHGP-BIMULSAOSA-N 261.325 0.662 10 10 CCCE N[C@H]1CCc2cc(N3C[C@@H](O)[C@@H]4COC[C@@H]43)ccc21 2331551873 RYPBCNXZNNVIDP-CBBWQLFWSA-N 260.337 0.829 10 10 CCCE COC(=O)[C@]1(NCCN=[N+]=[N-])C[C@H]2[C@@H]3CC[C@@H](O3)[C@H]21 2331785865 HZGUNAKUBRQSQE-LIJGXYGRSA-N 266.301 0.995 10 10 CCCE C[C@@H](NCCS(=O)(=O)CCO)c1cc(F)ccc1O 2335768081 VDJLBUKAOKQTKC-SECBINFHSA-N 291.344 0.589 10 10 CCCE Nc1ccc(OCC(=O)N[C@@]23CC[C@@H](C2)NC3)cc1 2343616911 YCCGYVPWJORPKY-FZMZJTMJSA-N 261.325 0.658 10 10 CCCE O=[N+]([O-])c1cc(CO)ccc1N1C[C@@H]2C[C@H]1[C@@H](O)[C@@H]2O 2354473611 DDTPBFOLPDWNOC-HWNAMQAFSA-N 280.280 0.017 10 10 CCCE Cn1cnc(S(=O)(=O)Nc2ccc(N)cc2)c1 52095904 HIOKCIXRYLANCP-UHFFFAOYSA-N 252.299 0.803 10 10 CCCE COc1ccc(N2CCN(C[C@@](C)(N)C(=O)O)CC2)cc1 59512250 UNNZUZQFHFRQFM-OAHLLOKOSA-N 293.367 0.619 10 10 CCCE C[C@@H](NCc1ccc(O)c(O)c1O)c1nn[nH]n1 235202552 FDTVWKSCVKCIRU-RXMQYKEDSA-N 251.246 0.167 10 10 CCCE CC1(C)[C@@H](O)C[C@@H]1NC(=O)c1cc(O)nc(O)c1 129825871 GSIVTWYNVYBTGE-YUMQZZPRSA-N 252.270 0.382 10 10 CCCE C[C@H](NCCC(=O)N1CCOCC1)c1cc(O)ccc1O 123810059 HUQWJANRLBBDCH-NSHDSACASA-N 294.351 0.997 10 10 CCCE COC[C@H](C)OC(=O)[C@H](N)Cc1ccc(O)c(O)c1 70205136 FNLUOMVNHRFYEF-WCBMZHEXSA-N 269.297 0.546 10 10 CCCE NC[C@H](N)c1c(C(=O)O)ccc(Br)c1O 95714914 XCAFMPDBPHWTKN-LURJTMIESA-N 275.102 0.811 10 10 CCCE COC(=O)[C@@]1(NCCN=[N+]=[N-])CCCS(=O)(=O)C1 90256910 XVISKZAZYHKVHK-SECBINFHSA-N 276.318 0.007 10 10 CCCE CCN[C@H]1C(=O)Nc2cc(N3CCNC(=O)[C@H]3C)ccc21 250615868 IMDSGWAFBRQYKA-NOZJJQNGSA-N 288.351 0.614 10 10 CCCE COc1cc(C(=O)OCC(=O)C(C)=O)ccc1OC(C)=O 808529902 XZRQAVGTBKSNGK-UHFFFAOYSA-N 294.259 0.935 10 10 CCCE CCN1CCc2cc(N3CC(NC)(C(N)=O)C3)ccc21 2165755275 DQIWUJQWNJVWIP-UHFFFAOYSA-N 274.368 0.333 10 10 CCCE C[C@]1(NC(=O)c2cc(O)c(O)c(O)c2)CCC[C@@H]1N 2132400149 KQSXZHCCIYNXHZ-GWCFXTLKSA-N 266.297 0.803 10 10 CCCE O=C1Nc2cc3c(cc2N2CCNC[C@@H]12)OCCO3 71494890 CKALWMMVCVETTR-JTQLQIEISA-N 261.281 0.188 10 10 CCCE Oc1cc2c(cc1CN1CCn3c(O)nnc3C1)OCO2 776521670 XQNIYDQIZLILMJ-UHFFFAOYSA-N 290.279 0.434 10 10 CCCE COC1(CCNC(=O)Cc2ccc(N)cc2)CNC1 1876422197 FQJFEFHAAKWMFE-UHFFFAOYSA-N 263.341 0.306 10 10 CCCE Cc1nn(C)c(C(=O)NCc2ccc(N)cc2)c1N 1876516380 WUHLEBNAOVAVEP-UHFFFAOYSA-N 259.313 0.823 10 10 CCCE CN(c1ccc(CN)cc1F)[C@@H]1CCS(=O)(=O)C1 36870417 AURVFWFTDFFLHH-SNVBAGLBSA-N 272.345 0.908 10 10 CCCE O=C(O)[C@H]1C[C@H](NCc2ccc(O)cc2O)CCO1 1880040887 IDGYEJVMOSJZDQ-BXKDBHETSA-N 267.281 0.820 10 10 CCCE COc1cc(O)c(CNC(=O)C2(N)CC2)c(OC)c1 83483667 YUMKPBYUWXZXDW-UHFFFAOYSA-N 266.297 0.517 10 10 CCCE Cn1cc(C(C)(C)NC(=O)c2cccc(O)c2O)nn1 1162943180 LFXLDZCAWFLEGL-UHFFFAOYSA-N 276.296 0.891 10 10 CCCE CCN1CCC[C@@H](NC(=O)Cc2ccc(O)c(O)c2)C1=O 1471991674 NIPJSLFQPSUBCC-LLVKDONJSA-N 292.335 0.767 10 10 CCCE C[C@@H](NC[C@H](O)CN(C)C)c1c(O)cccc1O 717358417 HLEQPDOHMPTOBM-ZJUUUORDSA-N 254.330 0.671 10 10 CCCE O=C(NCc1cccc(O)c1O)C12CCN(CC1)C2 1348048893 YCHMSLXQXAOSKU-UHFFFAOYSA-N 262.309 0.810 10 10 CCCE COc1ccc(N2CC(N(C)C3COC3)C2)c(N)c1 2116486135 LXCBZEFCYBEAIW-UHFFFAOYSA-N 263.341 0.797 10 10 CCCE CN1CC[C@H](C(=O)NCc2c(O)cccc2O)C1=O 1456234162 IABXJPKUCPVVFX-MRVPVSSYSA-N 264.281 0.192 10 10 CCCE O=C(NCc1cccc(O)c1O)C1(N2CCOCC2)CC1 1520508895 OSPWOHKKEFTLHU-UHFFFAOYSA-N 292.335 0.579 10 10 CCCE O=C(NCCCN1CCOCC1)c1cc(O)c(O)c(O)c1 1865876202 WXDUITXSCHJJEC-UHFFFAOYSA-N 296.323 0.256 10 10 CCCE C[C@H](NC(=O)c1cc(O)nc(O)c1)[C@H]1C[C@@H]1C(=O)O 2118314341 JMEAQTAJNWBUOK-ARDNSNSESA-N 266.253 0.332 10 10 CCCE O=C(NCc1c(O)cccc1O)[C@@H](O)c1cccnc1 1472063550 MJDWVZAALKWZKW-ZDUSSCGKSA-N 274.276 0.843 10 10 CCCE COc1ccc2c(c1)S(=O)(=O)C[C@H](C)N2CC(=O)O 211110530 FVGZSDOSAYIOQJ-QMMMGPOBSA-N 285.321 0.762 10 10 CCCE COc1ccc(N2CC(=O)N(C)C[C@H]2C(=O)O)cc1 217062395 GGKJIVKZJPLSSY-NSHDSACASA-N 264.281 0.427 10 10 CCCE COc1ccc(N2CCNC(=O)[C@@H]2CO)c(OC)c1 217171312 ATRFNSAHSZZDMQ-NSHDSACASA-N 266.297 0.001 10 10 CCCE Oc1ccc(F)cc1CN[C@@H]1COC[C@H]1n1ccnn1 1615586191 QXBPDORPBKKNMA-VXGBXAGGSA-N 278.287 0.853 10 10 CCCE Cn1nncc1CNC(=O)Cc1ccc(O)c(O)c1 1625545797 RDIPDWLJJYRARQ-UHFFFAOYSA-N 262.269 0.085 10 10 CCCE CN(C)S(=O)(=O)c1nccn1Cc1ccc(N)cc1 2122570362 RTCAPOKTKKYNOC-UHFFFAOYSA-N 280.353 0.764 10 10 CCCE COC(OC)[C@H](C)NC(=O)Cc1ccc(O)c(O)c1 1640192315 ORRLPSBQWUHOSK-QMMMGPOBSA-N 269.297 0.764 10 10 CCCE Cc1cnc2nc(C(=O)NCc3c(O)cccc3O)nn2c1 1597573277 BNBLTNYQLMMGPY-UHFFFAOYSA-N 299.290 0.774 10 10 CCCE [N-]=[N+]=N[C@H]1CCN(C(=O)[C@@H]2CCCS2(=O)=O)C1 1912145795 LHVPDLIETUFENF-YUMQZZPRSA-N 258.303 0.475 10 10 CCCE COCCOCCOC[C@@H](NN)c1ccccc1O 2127635504 CFYFOHCFKTYVFB-GFCCVEGCSA-N 270.329 0.576 10 10 CCCE CN[C@@H]1CCc2cc(N3CC[C@](O)(CO)C3)ccc21 2128311964 BITJWTICAWTGKT-HUUCEWRRSA-N 262.353 0.827 10 10 CCCE C[C@H]1OCC[C@H]1N(C)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 159226022 JGUOPJBWRQMLKQ-ADEWGFFLSA-N 294.351 0.603 10 10 CCCE CCN(C(=O)C1=C[C@H](O)[C@@H](N)C1)c1cccc(O)c1 2131477061 NRZSACMQBRWULJ-STQMWFEESA-N 262.309 0.763 10 10 CCCE [N-]=[N+]=NC1CN(C(=O)[C@@H]2CCCN2c2ncccn2)C1 1912208546 UYULHZROCWEMIC-JTQLQIEISA-N 273.300 0.967 10 10 CCCE N[C@H]1C[C@@H](CCO)CN(c2ccc3c(c2)OCO3)C1 108216534 HBMVUEMGXWHXSV-MNOVXSKESA-N 264.325 0.951 10 10 CCCE COc1cc(N2CC(n3cncn3)C2)ccc1CN 2139685210 DYDJMWWDLPGOKF-UHFFFAOYSA-N 259.313 0.807 10 10 CCCE NC(=O)[C@@H]1[C@H]2CN(CCCc3ccc(N)cc3)C[C@H]21 2136633158 VXKBZTXTICPSOL-WDNDVIMCSA-N 259.353 0.865 10 10 CCCE Oc1cc(Cl)ccc1CNCCc1nn[nH]n1 1942491743 PCHWGZOJVSJGSK-UHFFFAOYSA-N 253.693 0.891 10 10 CCCE CN(CC(=O)c1ccc(O)c(O)c1)C[C@H]1COCCO1 2143683365 AYXUXHWCIWOXIY-NSHDSACASA-N 281.308 0.628 10 10 CCCE C[C@@]12CNC[C@@H]1CN(C(=O)Cc1ccc(O)c(O)c1)C2 2144023412 IHTXFEXILCAXQQ-ABAIWWIYSA-N 276.336 0.708 10 10 CCCE O=[N+]([O-])c1cc(F)cc(CN2CCNCC2)c1O 258357640 JEUQLHZXUGVJJP-UHFFFAOYSA-N 255.249 0.845 10 10 CCCE CN[C@@H](c1nnnn1C)[C@H](O)c1ccc(N(C)C)cc1 2148179255 XSABRGZNYIQAMA-VXGBXAGGSA-N 276.344 0.270 10 10 CCCE C[C@H](c1c(O)cccc1O)N1C[C@H](N)C[C@@H](C(N)=O)C1 2151021356 JURGZFUIAMBMLB-OPRDCNLKSA-N 279.340 0.293 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)c1nnc2ncccn12 40225952 DMVJJNZKDKPEHY-VIFPVBQESA-N 271.280 0.778 10 10 CCCE CCN1CCO[C@@H](CNC(=O)c2cccc(O)c2O)C1 166080914 YUXGMQXBQHPGIO-JTQLQIEISA-N 280.324 0.548 10 10 CCCE COCCS(=O)(=O)N1CCN(c2ccc(N)cc2)CC1 42807635 OKAOUZRPMXOVAN-UHFFFAOYSA-N 299.396 0.367 10 10 CCCE CS(=O)(=O)CCC(=O)NCC1(CN=[N+]=[N-])CC1 2006018357 JWZMDHNWWHMWFK-UHFFFAOYSA-N 260.319 0.628 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC[C@H]2NCCC[C@@H]2C1 2153081505 PPJBIHZQKBQAMG-MWLCHTKSSA-N 277.324 0.707 10 10 CCCE Oc1ccc(CN[C@H]2[C@H]3COCC[C@H]32)c(O)c1O 2032744495 KYEOIKJRZOXUKT-WCABBAIRSA-N 251.282 0.928 10 10 CCCE C[C@@H](N)Cc1cnc(Sc2nnc3nc[nH]n23)s1 2037824263 DMXWOLLKVTXIIU-RXMQYKEDSA-N 281.370 0.950 10 10 CCCE COC(=O)[C@@H](NCCN=[N+]=[N-])c1cc(C)nn1C 2037805474 JBSILNQIFWIVPI-VIFPVBQESA-N 252.278 0.843 10 10 CCCE CC(=O)NCCN(C)C[C@@H](O)COc1ccc(N)cc1 308195658 QSKHFQXCBFTYTN-CYBMUJFWSA-N 281.356 0.076 10 10 CCCE OC[C@]1(CNCc2cccc(O)c2O)CCCOC1 700949638 CFLNRZNVEANXLR-CQSZACIVSA-N 267.325 0.977 10 10 CCCE CCn1ncc([C@H](NN)c2ccc3c(c2)CCN3C)n1 2172445907 IPYIGNVFWKRIPK-CQSZACIVSA-N 272.356 0.843 10 10 CCCE COc1ccc(N2CCS(=O)(=O)[C@@H](C)C2)c(N)c1 707509421 WPMZAXASCLXGAI-VIFPVBQESA-N 270.354 0.901 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3C[C@@H]4C[C@H](C3)C4O)ccc21 2172931484 KJXATZROVDYDCQ-BTHZHONQSA-N 273.336 0.716 10 10 CCCE COC(=O)c1nc(=NCCc2ccc(N)cc2)[nH]n1C 2173191648 JRMBOICXPXTSMN-UHFFFAOYSA-N 275.312 0.260 10 10 CCCE O=C1NCC[C@@H]1NCc1ccc(N2CCOCC2)cc1 693864862 WYZBUNFPRPUYEU-AWEZNQCLSA-N 275.352 0.501 10 10 CCCE CCOc1cccc(CNC[C@H](C)S(N)(=O)=O)c1O 398219438 BRRMRUIIRHQFKJ-VIFPVBQESA-N 288.369 0.558 10 10 CCCE CC1(C)CO[C@H](CNC(=O)c2ccc(O)c(O)c2)CN1 2165615436 JOPKITIGRKZJDE-SNVBAGLBSA-N 280.324 0.595 10 10 CCCE CNC(=O)[C@@H]1CCN(C(=O)c2cccc(O)c2O)C1 398523375 SSJMNXZARPREBU-MRVPVSSYSA-N 264.281 0.306 10 10 CCCE O=C(O)[C@@H]1C[C@@H]2CN(C(=O)c3cc(O)nc(O)c3)C[C@H]21 2174299201 YGWLQTWBHJULIH-IWSPIJDZSA-N 278.264 0.286 10 10 CCCE Oc1c(F)cccc1CNC[C@@H]1C[C@H]2C[C@H]1[C@H](O)[C@H]2O 2174417057 QXPJQSSMYPHXCI-VHKOSHJNSA-N 281.327 0.999 10 10 CCCE O=C(NC1C[C@@H]2C(C(=O)O)[C@H]2C1)c1cccc(O)c1O 2169235677 HDVUEQAEPPKMDF-DREYAMPFSA-N 277.276 0.937 10 10 CCCE CN(Cc1nncn1C)C(=O)c1cc(O)c(O)c(O)c1 2188876249 ZHKQZDZHCXPIPH-UHFFFAOYSA-N 278.268 0.204 10 10 CCCE CN[C@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)C[C@H]1C 2188909888 PDEKGHUWRGCLMO-SCZZXKLOSA-N 280.324 0.873 10 10 CCCE C[C@H](C(=O)Nc1ccc(N)cc1)N1C[C@@H]2C[C@@H]2[C@@H]1CO 2198995229 LCMAXAWBPIMARK-OAACRXHESA-N 275.352 0.908 10 10 CCCE CN(Cc1ccccc1O)C(=O)c1ccc(=NN)[nH]n1 2192566285 FVKSXLGFZMKKLQ-UHFFFAOYSA-N 273.296 0.162 10 10 CCCE Nc1ccc(NC(=O)N[C@]2(CO)CCOC2)cc1 2071558798 RHOCZSWORUOZHD-LBPRGKRZSA-N 251.286 0.542 10 10 CCCE CN(Cc1ccccc1O)C[C@@H]1CCS(=O)(=O)N1 2072459331 FZVWRNODWBZVSE-NSHDSACASA-N 270.354 0.516 10 10 CCCE O=C(N[C@H]1C[C@H](CCO)C1)c1cc(O)nc(O)c1 2078445659 ZQVQPOFUWCBKHD-XWEPSHTISA-N 252.270 0.384 10 10 CCCE CCN1CCc2cc([C@@H](O)c3nnn(C)n3)ccc21 2106795172 DUEKWPOZQBYLDH-GFCCVEGCSA-N 259.313 0.674 10 10 CCCE CN(C)c1ccc(Cn2c(O)cc(O)nc2=O)cc1 2109643197 GWOUSXKCRAIPSW-UHFFFAOYSA-N 261.281 0.769 10 10 CCCE COC(=O)C1(CS(=O)(=O)N(C)c2ccc(N)cc2)CC1 2208630236 AEDCAWJRTAQXHM-UHFFFAOYSA-N 298.364 0.988 10 10 CCCE CN1C(=O)[C@H](O)c2ccc(N(C)[C@H]3C[C@@H](O)C3)cc21 2224220996 YXTFKSNRLMHSTQ-GBIKHYSHSA-N 262.309 0.656 10 10 CCCE CN1[C@H](C(=O)O)CC[C@@H]1C(=O)NCCCCN=[N+]=[N-] 2225795856 RDOIONKAAYPVLD-BDAKNGLRSA-N 269.305 0.741 10 10 CCCE O[C@H]1C[C@@H](O)CN(c2ccc3c(c2)OCCCO3)C1 2226806993 DRDNTLAPPWPGMP-TXEJJXNPSA-N 265.309 0.780 10 10 CCCE OCc1ccc(N2C[C@H]3C[C@H](O)[C@H](O)C[C@H]3C2)c(F)c1 2236986202 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CC[C@H](O)CNS(=O)(=O)CCOc1ccc(N)cc1 124150779 CJKJDMIHAJQSEQ-NSHDSACASA-N 288.369 0.338 10 10 CCCE CN(C)C[C@@](C)(O)CNCc1cc(F)ccc1O 180848992 ZQALBPGUTSXVMB-ZDUSSCGKSA-N 256.321 0.934 10 10 CCCE O=C(Nc1cc(O)c(O)c(O)c1)Nc1nc[nH]n1 217278880 GVRPFAORPKYFAO-UHFFFAOYSA-N 251.202 0.566 10 10 CCCE CS[C@H](CO)[C@@H](C)NC(=O)c1cc(O)nc(O)c1 228245532 MECOGYFWPREIFN-HTRCEHHLSA-N 272.326 0.335 10 10 CCCE CNC(=O)C(C)(C)CNCc1ccc(O)c(O)c1 226761466 UAWZDSQIADDBQZ-UHFFFAOYSA-N 252.314 0.960 10 10 CCCE NCc1cc(F)c(N2CCCNC(=O)C2)c(F)c1 87885109 DYMRZAUEFDWYHN-UHFFFAOYSA-N 255.268 0.750 10 10 CCCE C[C@@H](CC[S@](C)=O)NC(=O)c1cc(O)c(O)c(O)c1 2132348405 LAOXFBZAKSBLNH-IIYDVTGLSA-N 287.337 0.690 10 10 CCCE O=C(N[C@H]1CC12CC(O)C2)c1cc(O)c(O)c(O)c1 2132348586 OPEMDTQWSDXMLA-JRIBOLAGSA-N 265.265 0.447 10 10 CCCE C[C@H](SC[C@H](O)CO)C(=O)Nc1ccc(N)cc1 93957384 WGHURDCTDPHKGA-GZMMTYOYSA-N 270.354 0.682 10 10 CCCE CC(=O)C(=O)COC(=O)C1=C(C)N(C)c2ncnn2[C@H]1C 808540624 YXNDHULIOXUOQS-QMMMGPOBSA-N 292.295 0.264 10 10 CCCE CC(=O)C(=O)COC(=O)c1ccc2nc(O)[nH]c2c1 808501812 PKWVURNXSUTAHG-UHFFFAOYSA-N 262.221 0.583 10 10 CCCE C[C@@H](C(=O)Nc1ccc(N)cc1)N1CC(C[S@@](C)=O)C1 2166657070 LMWOWOURMSRZND-WVDJIFEKSA-N 295.408 0.906 10 10 CCCE NC(=O)C1(N)CCN(c2ccc3c(c2)CCCO3)CC1 2162639169 BBRKOBNWRIPOFO-UHFFFAOYSA-N 275.352 0.795 10 10 CCCE CN(C)c1ccc(CNC(=O)CCOC2CNC2)cc1 825973736 PFBOXWADHVXZLA-UHFFFAOYSA-N 277.368 0.747 10 10 CCCE CO[C@H]1CS(=O)(=O)C[C@H]1Nc1ccccc1N 696847389 CDNGYVLVAHPSIR-MNOVXSKESA-N 256.327 0.493 10 10 CCCE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@]1(O)CCOC1 935944865 BCZMBEDGCTVDRO-AWEZNQCLSA-N 286.324 0.646 10 10 CCCE C[C@@H](N)c1nc(NC(=O)Cc2ccc(N)cc2)n[nH]1 1876423259 KVFWEBYTWOIGIS-SSDOTTSWSA-N 260.301 0.588 10 10 CCCE CC[S@](=O)CCNC(=O)c1ccc(C)c(O)c1O 780937742 GBGRJEOEANXSCT-SFHVURJKSA-N 271.338 0.905 10 10 CCCE COc1ccc(CN2CCO[C@H]([C@H](C)N)C2)c(O)c1 132538286 UNCMIWTXDNBHSU-HZMBPMFUSA-N 266.341 0.949 10 10 CCCE CCCC(=O)NCC(=O)NCc1ccc(OC)cc1O 794378402 GJKRSMMGZAXSEE-UHFFFAOYSA-N 280.324 0.933 10 10 CCCE CN1C(=O)C(=Cc2nn(C)cc2Cl)C(=O)N(C)C1=O 1353987336 HQEBXSRTPHCMTI-UHFFFAOYSA-N 282.687 0.507 10 10 CCCE Nc1ccc(CCc2nn3c(=O)cnnc3s2)cc1 82720825 QCAIWRIIOHBOND-UHFFFAOYSA-N 273.321 0.913 10 10 CCCE NC[C@@H](Cc1nccn1-c1ccc(N)cc1)C(=O)O 76137562 RCDVCQACZWNJPG-SECBINFHSA-N 260.297 0.657 10 10 CCCE C[C@@H](O)c1ccc(N(C)CCN(C)CCO)cc1O 691260532 GJVTXYMYUOQXAA-LLVKDONJSA-N 268.357 0.806 10 10 CCCE CCCNC(=O)CN(C)c1ccc2c(c1)NC(=O)[C@H]2N 707517336 LNNNXIWGCBBWGC-ZDUSSCGKSA-N 276.340 0.601 10 10 CCCE CN(C(=O)c1c[nH]nc1[C@H]1CCNC1)c1cnn(C)c1 1330591531 JZWUYHQFRKBGAJ-VIFPVBQESA-N 274.328 0.497 10 10 CCCE COc1ccc([C@H](C)N[C@H]2CCC(=O)NC2=O)c(O)c1 89751428 JIGMFWOYEGPKPU-KWQFWETISA-N 278.308 0.857 10 10 CCCE [N-]=[N+]=NCCN[C@@H](C(N)=O)c1ccc2c(c1)OCCO2 90257909 SMIAFVGWANZDQU-LLVKDONJSA-N 277.284 0.884 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3CC([S@@](C)=O)C3)cc21 2115313063 CRBLAPIGOGZRST-CWTRNNRKSA-N 279.365 0.230 10 10 CCCE C[C@H](N)[C@H]1C[C@H]1C(=O)NCCc1ccc(O)c(O)c1 2118319039 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NC(=O)[C@H]1CC[C@@H](NS(=O)(=O)Cc2ccc(N)cc2)C1 2146225789 XBJKAZBLUASUKU-CMPLNLGQSA-N 297.380 0.342 10 10 CCCE CC[C@H](N)c1ccc(N2CCOC[C@@H]2[C@@H](O)CO)cc1 2146329179 LZZHRURKUUCMSO-ZNMIVQPWSA-N 280.368 0.655 10 10 CCCE C[C@@](CS(C)(=O)=O)(NCCCN=[N+]=[N-])C(=O)O 2003945704 LBOQLACEQSAIBH-QMMMGPOBSA-N 264.307 0.164 10 10 CCCE COC[C@@H](O)CN(C)[C@@H](C)C(=O)Nc1ccc(N)cc1 42483120 NYPVROMZBHEHEC-GWCFXTLKSA-N 281.356 0.535 10 10 CCCE C[C@@H](CC(N)=O)N(C)C[C@@H](O)COc1ccc(N)cc1 2151340675 PSKZGWURFBNXEH-CMPLNLGQSA-N 281.356 0.204 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)[C@]12CC[C@H]1CNC2 2151406713 LBYJQWBANUCERE-NHYWBVRUSA-N 276.336 0.756 10 10 CCCE COCCNCc1nnnn1-c1ccc(OC)cc1 54744284 LASJBHDENPJQLP-UHFFFAOYSA-N 263.301 0.407 10 10 CCCE COC(=O)[C@](C)(O)CN(C)Cc1ccc(N)cc1 2031617004 XGGILPFWIRCSEY-CYBMUJFWSA-N 252.314 0.625 10 10 CCCE COc1ccc(N2CCN(C[C@@H](O)CCN)CC2)cc1 71630449 LQZWLIBZUXARTH-AWEZNQCLSA-N 279.384 0.527 10 10 CCCE CC1(C)NCC[C@@H]1NC(=O)c1ccc(O)c(O)c1 307915783 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COc1ccc(O)c(CNC[C@H]2CNC(=O)C2)c1 398347755 HQLUFQAARDNQJV-VIFPVBQESA-N 250.298 0.627 10 10 CCCE C[C@@H](CNC(=O)Nc1ccc(N)cc1)S(N)(=O)=O 398430475 SIUYVXWYGOEKDP-ZETCQYMHSA-N 272.330 0.067 10 10 CCCE O=C(C[C@@]1(O)CCOC1)Nc1ccc(O)c(O)c1 2062402757 JFTVORITPPJHRN-LBPRGKRZSA-N 253.254 0.578 10 10 CCCE C[C@H](N)c1ccc(N2CCN(C[C@H](O)CO)CC2)cc1 2178029637 HVQUQANHDPCWKL-WFASDCNBSA-N 279.384 0.182 10 10 CCCE O=C(N[C@@H]1CCOC[C@@H]1F)c1cccc(O)c1O 1148224581 PYPJCRHXKRGEKM-DTWKUNHWSA-N 255.245 0.955 10 10 CCCE CN(Cc1ccccc1O)C[C@@H](O)Cn1cc(N)cn1 2192569938 LKXOQCXQRLFRBU-CYBMUJFWSA-N 276.340 0.664 10 10 CCCE CC1(C)[C@H](O)[C@@H](O)CN1CC(=O)Nc1ccc(N)cc1 2181212632 GRCPIZOPKAZEPP-WCQYABFASA-N 279.340 0.023 10 10 CCCE Oc1ccc(CNC2CC(n3ccnn3)C2)c(O)c1O 2184096689 FVDMQRMDEPYJNT-UHFFFAOYSA-N 276.296 0.888 10 10 CCCE CC1(C)C[C@@H]([C@@H](NCCN=[N+]=[N-])C(N)=O)CCO1 2043469718 FHENTFKQNFRJIT-DTWKUNHWSA-N 255.322 0.945 10 10 CCCE N[C@H]1CCCc2cc(N3CC4(CNC(=O)N4)C3)ccc21 2184686167 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Cc1cccc(O)c1[C@H](C(N)=O)N1CCCNCC1 2104479783 LFNXKRPVJWOAGQ-CYBMUJFWSA-N 263.341 0.522 10 10 CCCE C[C@]12CN(C(=O)c3cccc(O)c3O)C[C@@]1(CN)C2 2109156457 FVVQLLUBLYTOGV-KBPBESRZSA-N 262.309 0.909 10 10 CCCE O=C(NCCO[C@@H]1CCNC1)c1cccc(O)c1O 2109120644 BMJQZSGSMKLBMS-SECBINFHSA-N 266.297 0.206 10 10 CCCE Nc1ccc(OCCNC(=O)/C=C\C(=O)O)cc1 310832330 LYOGWDYPTCZUKL-WAYWQWQTSA-N 250.254 0.405 10 10 CCCE COC1(CF)CN(CC(=O)c2ccc(O)c(O)c2)C1 2112571618 RZCSKJJDTNZXJM-UHFFFAOYSA-N 269.272 0.951 10 10 CCCE COc1cc(N)c(N2CC[C@@H](O)[C@](C)(O)C2)cc1OC 2201491065 ALACYVJWBZVYKI-ZIAGYGMSSA-N 282.340 0.608 10 10 CCCE Nc1ccc(CCN2CCN3C(=O)OC[C@H]3C2)cc1 2114276408 FSDNFUOYOSPASQ-CYBMUJFWSA-N 261.325 0.948 10 10 CCCE CN1[C@H](C(=O)O)CC[C@@H]1C(=O)N1CCC[C@@H](N=[N+]=[N-])C1 2234170568 FCSZZJPPBHMIFD-BBBLOLIVSA-N 281.316 0.835 10 10 CCCE O=C(N[C@@H]1CCC[C@H](O)[C@H]1O)c1cccc(O)c1O 2224351436 XJYDMNXKSLJPDB-QRTLGDNMSA-N 267.281 0.102 10 10 CCCE Cc1cc(CO)ccc1N1C[C@@H]2COC[C@]2(CO)C1 2226167885 MNBGNARJDJKFOK-UKRRQHHQSA-N 263.337 0.932 10 10 CCCE NC(=O)C1(O)CN(c2ccc(OC3CCC3)cc2)C1 2226530048 RYIJVSNRPFSWEG-UHFFFAOYSA-N 262.309 0.654 10 10 CCCE NC(=O)[C@]1(O)CCN(c2ccc3c(c2)COCC3)C1 2226714047 VBMUBYRLTZREGF-AWEZNQCLSA-N 262.309 0.186 10 10 CCCE COc1ccc(N2CC[C@H](O)[C@H](CO)C2)c(CN)c1 2227671744 BPUPZJBQFNYUOD-FZMZJTMJSA-N 266.341 0.333 10 10 CCCE O[C@@H](c1ccc(N2CCNCC2)cc1)c1cccnn1 2286072087 XHVGPMCCJHDYNQ-HNNXBMFYSA-N 270.336 0.968 10 10 CCCE N[C@H]1CCCc2cc(N3CC[C@H]3[C@@H](O)CO)ccc21 2270694951 LEQSPTBTBBTOTF-KKUMJFAQSA-N 262.353 0.955 10 10 CCCE N[C@H]1CCc2cc(N3CC[C@@H](O)[C@H](O)CC3)ccc21 2269122335 VQAROAWHGBHQAC-RRFJBIMHSA-N 262.353 0.955 10 10 CCCE CC[C@H]1[C@@H](O)CCN1C[C@@H](O)COc1ccc(N)cc1 2288931905 KBHGLRZJVUACGJ-SNPRPXQTSA-N 280.368 0.854 10 10 CCCE C[C@@H](O)c1ccc(N2CC3(CNC(=O)CO3)C2)c(F)c1 2289661641 ZQXYASFCJOKAJH-SECBINFHSA-N 280.299 0.584 10 10 CCCE COc1ccc(N2C[C@@H](O)[C@@H]3COC[C@@H]32)c(N)c1 2308661232 UDRFAKXIPSHPAM-JIMOISOXSA-N 250.298 0.473 10 10 CCCE Oc1cccc(F)c1CN[C@H]1CCC[C@@H](O)[C@H]1O 2312194908 YMRXVMJDCCOAQY-UHTWSYAYSA-N 255.289 0.895 10 10 CCCE COc1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CF)c(C)c1 2312393875 PWNZLFMSDCGHAP-UPJWGTAASA-N 255.289 0.884 10 10 CCCE CC[C@@H](O)c1ccc(N2CC([C@@H](O)CO)C2)cc1 2315273427 XHWFONICGXWZPJ-KGLIPLIRSA-N 251.326 0.919 10 10 CCCE C[C@H](NCC[C@@H](O)CCO)c1cc(O)ccc1O 2326770586 OZGSKJIXDQLSNV-VHSXEESVSA-N 255.314 0.882 10 10 CCCE NCc1ccc(N2C[C@@H]3C[C@H]2[C@@H](O)[C@H]3O)c(F)c1F 2329328669 NFVRGRSWGDDNCG-MPZLTGKNSA-N 270.279 0.354 10 10 CCCE Cc1cc(N2C[C@H]3C[C@H](O)[C@@H](O)[C@@H]2C3)ccc1CO 2330387716 XUAAWPOWYPYRDB-KJEVXHAQSA-N 263.337 0.808 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3C[C@@H]4C[C@H]3[C@@H]4CO)ccc21 2333101937 YDSCYJIIWFJSBE-VFHFYPCJSA-N 259.309 0.456 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1C[C@@H]2C[C@@H](O)[C@@H](O)[C@H]1C2 2355343736 CJLVJIPNSXORJM-LQVCDDRESA-N 279.292 0.054 10 10 CCCE CS(=O)(=O)N1CC[C@H](CNCc2ccccc2O)C1 119976557 NDLKNJBGEGSRGE-LLVKDONJSA-N 284.381 0.763 10 10 CCCE CCN[C@@H]1C(=O)Nc2cc(N(C)C[C@H](O)COC)ccc21 105419244 SBRYQEBQNWJAMR-FZMZJTMJSA-N 293.367 0.733 10 10 CCCE CC[C@H](OC(=O)c1ccn(-c2ccc(N)cc2)n1)C(N)=O 61678617 AQTISKMVUQXTFR-LBPRGKRZSA-N 288.307 0.875 10 10 CCCE COc1cc(Cl)cc([C@H]2NC(=O)[C@H]3COCCN23)c1O 183632846 IESZESQTIVXJMW-SKDRFNHKSA-N 298.726 0.883 10 10 CCCE CC(C)NCc1ccc(N2C[C@@H](O)[C@H](O)C2)c(F)c1 232729174 SNLHWLNSWFBUBN-ZIAGYGMSSA-N 268.332 0.866 10 10 CCCE CN[C@@H]1COC[C@@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1 90434693 UFLPIYBCWGIYFT-LSDHHAIUSA-N 291.395 0.945 10 10 CCCE CCOC(=O)[C@]1(NCCCN=[N+]=[N-])CCN(C)C1 90259728 WJECMLONCBVOFN-NSHDSACASA-N 255.322 0.914 10 10 CCCE COCCN[C@@H](C(N)=O)c1ccc2c(c1)CCN2C 53256490 RPCYKOBTHMLAGI-CYBMUJFWSA-N 263.341 0.441 10 10 CCCE CN(c1cc2c(cc1F)[C@@H](O)C(=O)N2)[C@@H]1COC[C@H]1O 708621011 XNUPHVSTBWPQDG-IJLUTSLNSA-N 282.271 0.007 10 10 CCCE NC[C@@H]1C[C@H]2CCC[C@H]2N1C(=O)c1cc(O)nc(O)c1 2164815285 SAONCPZJUXUQHI-DVVUODLYSA-N 277.324 0.835 10 10 CCCE Cn1cc([C@H](NN)c2ccc(N3CCCC3)cc2)nn1 2163148844 BSJPXDWVTTYUNP-CQSZACIVSA-N 272.356 0.968 10 10 CCCE Cc1cc(CO)ccc1N1CC[C@@](O)(CN(C)C)C1 713706189 ACNZBUKWSOJEIK-OAHLLOKOSA-N 264.369 0.990 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H]2CCO[C@H]2C1 2132403864 NOPILPFQXUOYPF-CPCISQLKSA-N 265.265 0.664 10 10 CCCE O=C1NCC[C@@H]2CCCN(C(=O)c3cccc(O)c3O)[C@H]12 922442055 DNQWTIDRKPZLBT-CABZTGNLSA-N 290.319 0.839 10 10 CCCE CCN1CCN(CC(=O)NCc2cc(C)ccc2O)CC1 862760497 SMLHAXXDCFBIDP-UHFFFAOYSA-N 291.395 0.954 10 10 CCCE CCONC(=O)CNC(=O)N[C@@H](C)c1ccccc1O 868748237 OIFHDZDVXWVBCL-VIFPVBQESA-N 281.312 0.820 10 10 CCCE O=C(/C=C\c1ccc(O)c(O)c1)N1C[C@@H](O)C[C@@H](O)C1 779530512 JOZQFWKUHTWWON-XVBRFGGHSA-N 279.292 0.065 10 10 CCCE Nc1ccc(NC(=O)N[C@H]2[C@H]3OCC[C@H]3[C@H]2N)cc1 1876150962 XXVHQXHGHYGECI-QCNOEVLYSA-N 262.313 0.505 10 10 CCCE Nc1ccc(OCC(=O)N[C@@H]2[C@H]3CCCN[C@H]32)cc1 1876443847 WOIHXPXRCDLTOH-IACUBPJLSA-N 261.325 0.514 10 10 CCCE C[C@H](N)[C@@H](C)NS(=O)(=O)CCOc1ccc(N)cc1 1876407880 BMJMEKISWGTBLK-VHSXEESVSA-N 287.385 0.303 10 10 CCCE CN(C[C@@H]1CCNC1)C(=O)COc1ccc(N)cc1 1876443692 MFMQTLYCXBZQCW-LLVKDONJSA-N 263.341 0.716 10 10 CCCE C[C@H]1CN(S(=O)(=O)Cc2ccc(N)cc2)C[C@H]1CN 1876527201 MBOGAHJOVUDTMY-CMPLNLGQSA-N 283.397 0.625 10 10 CCCE C[C@H](NC(=O)[C@]1(CO)CCNC1)c1ccccc1O 1877577717 FAWNIGVENIUURI-IINYFYTJSA-N 264.325 0.541 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@H](CO)C[C@H]1CCCO1 1303693501 MUTYBKATQXNYNN-NWDGAFQWSA-N 295.335 0.687 10 10 CCCE COc1ccc(N2CC(=O)N(CC(=O)O)C(=O)[C@@H]2C)cc1 74413700 ZFOUWBIBCDHXCA-VIFPVBQESA-N 292.291 0.344 10 10 CCCE Cc1ccc([C@H](N)C(=O)NCCCCCO)c(O)c1 83492822 ZLFSBVRQCGUEBM-ZDUSSCGKSA-N 266.341 0.979 10 10 CCCE CN(C)c1ccc(C=CC(=O)N(CCN)CCN)cc1 1963325246 MNWAXDIYMUJKHY-UHFFFAOYSA-N 276.384 0.512 10 10 CCCE Nc1ccc(CNC(=O)c2cn3cnnc3cn2)cc1 695007706 ZYVRGMCOUIFBFM-UHFFFAOYSA-N 268.280 0.637 10 10 CCCE CN(C)c1ccc(/C=C\CNC[C@H](O)C(=O)O)cc1 1332031982 FXZKBPTUFNNYDF-SCOBNMCVSA-N 264.325 0.801 10 10 CCCE COc1ccc(N2CCCN(C)C(=O)[C@@H]2CN)cc1 216994767 KIJILFSFHATIOB-ZDUSSCGKSA-N 263.341 0.691 10 10 CCCE CNC[C@H]1CN(C)CCN1c1ccc2c(c1)OCO2 216988249 NKHDUXKAAIMZGH-LBPRGKRZSA-N 263.341 0.755 10 10 CCCE O=C(c1cccc(O)c1O)N1C[C@@H]2[C@H](CO)C[C@H]2C1 2117689678 OEPBTCUHJVBPGF-QXEWZRGKSA-N 263.293 0.798 10 10 CCCE COC1(C(N)=O)CN(c2cc(Cl)c(CN)cc2F)C1 2120882098 SUEYROLBVYGWLJ-UHFFFAOYSA-N 287.722 0.628 10 10 CCCE O=C(c1cccc(O)c1O)N1C[C@H](O)C(F)(F)C1 1965210896 FJKVPKKDGJFYSE-QMMMGPOBSA-N 259.208 0.550 10 10 CCCE COc1cc(C)c(N(C)C[C@H](O)CO)c(OC)c1 258772998 BBUXJGOKPIGXKM-JTQLQIEISA-N 255.314 0.802 10 10 CCCE CO[C@H](C(=O)NCCc1ccc(N)cc1)[C@H]1CCOC1 851632315 OJFHPHFBEFPDII-JSGCOSHPSA-N 278.352 0.979 10 10 CCCE CCNC(=O)NC(=O)[C@H](C)N1CCC(N=[N+]=[N-])CC1 1912149867 MIZFQLFATPGRPC-QMMMGPOBSA-N 268.321 0.995 10 10 CCCE CN(C)C(=O)N1CCC[C@H](C(=O)N2CC(N=[N+]=[N-])C2)C1 1912145190 DIEGAHZBUFYDQS-VIFPVBQESA-N 280.332 0.901 10 10 CCCE CCN(CC(=O)N(C)c1ccc(N)cc1)S(C)(=O)=O 1913812480 KLNYHNZMZFQHNP-UHFFFAOYSA-N 285.369 0.513 10 10 CCCE CC1(C(N)=O)CN(c2cc3c(cc2Cl)[C@@H](N)C(=O)N3)C1 1914213844 LNVXPIKFUCFHAM-SNVBAGLBSA-N 294.742 0.604 10 10 CCCE COc1ccc(CN2C[C@@H](C(N)=O)C[C@@H](N)C2)c(O)c1 2151022691 RPVPPBBDFFBQNJ-WDEREUQCSA-N 279.340 0.035 10 10 CCCE CCOC(=O)[C@@H]1C[C@]1(N)c1cc(O)c(O)c(OC)c1 1952888244 QRCGTGURWQQYBB-SDBXPKJASA-N 267.281 0.843 10 10 CCCE Nc1ccc(O)c(CN2CCN3C(=O)CC[C@H]3C2)c1 168416502 CMTIIHGRESJOPG-LBPRGKRZSA-N 261.325 0.781 10 10 CCCE COC[C@@](C)(CO)N(C)C(=O)Cc1ccc(O)c(O)c1 2144017761 DMWLXQSJIMXFFQ-CQSZACIVSA-N 283.324 0.496 10 10 CCCE CC(=O)c1ccc(O)c(CN2C[C@H](O)[C@H](N(C)C)C2)c1 2146136796 FXXXKGBWZMZMRA-HIFRSBDPSA-N 278.352 0.702 10 10 CCCE CO[C@@H]1CN(C[C@H](O)COc2ccc(N)cc2)C[C@@H]1F 2146484827 QRAUXKKLMPDYHA-FPMFFAJLSA-N 284.331 0.677 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1[C@H](CO)C[C@@H]2OCC[C@H]21 2146642214 PUDBWUGMOGFXMN-CWSCBRNRSA-N 279.292 0.462 10 10 CCCE O=C(CN1CC[C@@H]2[C@H](CO)[C@@H]2C1)c1ccc(O)c(O)c1 2149512385 JPTHEFKWDOELFS-TUAOUCFPSA-N 277.320 0.841 10 10 CCCE O=C(CN1C[C@H](C2CC2)[C@@H](O)C1)c1ccc(O)c(O)c1 2146887104 VZXFZCIJOHEURP-ABAIWWIYSA-N 277.320 0.983 10 10 CCCE C[C@@H](NCCn1cnnn1)c1cc(F)ccc1O 2029971668 LZKSMBXIBUOSHS-MRVPVSSYSA-N 251.265 0.869 10 10 CCCE Cc1nc(CO)cc(=NCCc2ccc(O)c(O)c2)[nH]1 2157703550 XBDZKFMJKIHGJT-UHFFFAOYSA-N 275.308 0.765 10 10 CCCE Cc1cccc(O)c1CN1CCNC(=O)[C@@H]1CC(=O)O 2160783789 BJFXYPDCLKETQG-NSHDSACASA-N 278.308 0.476 10 10 CCCE CN(CCO)CCN(C)Cc1cc(N)ccc1O 700969313 QCCNOQPCUIAHOP-UHFFFAOYSA-N 253.346 0.330 10 10 CCCE Nc1ccc(CCNS(=O)(=O)N2CCC[C@@H]2CO)cc1 2161852042 ZBRVLSWHKJQNOG-CYBMUJFWSA-N 299.396 0.102 10 10 CCCE [N-]=[N+]=NCCNC(=O)COc1ccccc1C(N)=O 701317775 DZKVVYGBEYFONF-UHFFFAOYSA-N 263.257 0.591 10 10 CCCE C[C@H](O)c1ccc(N2C[C@@H](CO)[C@@H](CO)C2)cc1O 704450081 AQNSQPUCBQMBLW-GARJFASQSA-N 267.325 0.483 10 10 CCCE CN(C1COC1)C1CN(C(=O)c2ccc(O)c(O)c2)C1 2173098634 AEOPLCMSGBLQDA-UHFFFAOYSA-N 278.308 0.253 10 10 CCCE COc1ccc(N2CC[C@@](O)(CN(C)C)C2)c(N)c1 713624246 POKAZFLOWPVYCS-CQSZACIVSA-N 265.357 0.780 10 10 CCCE Cc1nnc2n1C[C@H](C(=O)NCC1(CN=[N+]=[N-])CC1)C2 2174353771 BLQHCBPCGDTXNU-SECBINFHSA-N 275.316 0.966 10 10 CCCE CNC(=O)NCCNC(=O)CCc1ccc(N)cc1 397402043 GXECOAQRLCIPNS-UHFFFAOYSA-N 264.329 0.247 10 10 CCCE CC1(C)[C@@H](N)C[C@H]1NC(=O)c1cc(O)nc(O)c1 397972050 NBZLCRWIBTXCFG-JGVFFNPUSA-N 251.286 0.348 10 10 CCCE O=C1C[C@@H](CNC(=O)[C@@H]2CNc3ccccc3N2)CN1 398300627 METZWMXNUMVWEA-SKDRFNHKSA-N 274.324 0.145 10 10 CCCE O=C(NCc1c(O)cc(O)cc1O)[C@H]1CCCOC1 2062358004 CYIGVOYEBXCWKY-QMMMGPOBSA-N 267.281 0.846 10 10 CCCE Cc1cc(O)n2ncc(C(=O)N3CCOC[C@@H]3C)c2n1 2062848703 AXRQRPSQJICCEP-VIFPVBQESA-N 276.296 0.604 10 10 CCCE COc1cccc(O)c1CN1C[C@@H]2OCCN(C)[C@H]2C1 769481537 BQMPPCUPEQKNML-WFASDCNBSA-N 278.352 0.916 10 10 CCCE Nc1ccc(NC(=O)CN2CC3(CNC(=O)C3)C2)cc1 2176159069 AQHACGBSTMWSBP-UHFFFAOYSA-N 274.324 0.029 10 10 CCCE CS(=O)(=O)c1cnn(Cc2c(O)cccc2F)c1N 2070218431 WYVGIOYWVFCNAU-UHFFFAOYSA-N 285.300 0.762 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3CCn4ncnc4C3)ccc21 2170409315 SJAIYCUXMSQSFA-GFCCVEGCSA-N 270.296 0.250 10 10 CCCE NCC1CC2(C1)CN(C(=O)c1cc(O)c(O)c(O)c1)C2 2188915200 GIJXRLZTCTWPDE-UHFFFAOYSA-N 278.308 0.614 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N3CCC=C[C@@H]3CO)cc21 2182333811 VSZLTDOFLBJWTM-RISCZKNCSA-N 273.336 0.790 10 10 CCCE CN[C@@H]1CCc2cc(N3C[C@H]4C[C@H]3[C@H](O)[C@H]4O)ccc21 2184710334 DJTHASKROBJBSL-DMHMKPBJSA-N 274.364 0.824 10 10 CCCE O[C@H]1CCc2cc(N3CCN4C[C@H](O)C[C@H]4C3)ccc21 2184732755 BPHOTKLVEYJXHQ-LZWOXQAQSA-N 274.364 0.921 10 10 CCCE COC1CN(S(=O)(=O)N2CC[C@@H](CN=[N+]=[N-])C2)C1 2043673615 QLRMATIKISMKAC-QMMMGPOBSA-N 275.334 0.194 10 10 CCCE Nc1ccc(OCC(=O)N2C[C@@H](N)[C@@H](C(F)F)C2)cc1 2191678646 JWMKETKZAAHXCI-WDEREUQCSA-N 285.294 0.698 10 10 CCCE [N-]=[N+]=NCCCCN1CCn2c(CO)nnc2C1 2051757117 UAKMCGSKVIEIGI-UHFFFAOYSA-N 251.294 0.677 10 10 CCCE O=C(O)[C@@H]1CN(Cc2ccc(O)c(O)c2)C[C@H]1F 2057025704 NSBWHRVIFHLYIK-RKDXNWHRSA-N 255.245 0.952 10 10 CCCE CC[C@H]1C[C@H](O)CN1C(=O)c1cc(O)nc(O)c1 2059499052 BWOHEKXSCXLNCF-IUCAKERBSA-N 252.270 0.478 10 10 CCCE CN(Cc1ccccc1O)c1c[nH]c(=N)cc1C(N)=O 2192594776 VRISOOYFCAUWNS-UHFFFAOYSA-N 272.308 0.935 10 10 CCCE C[C@@H](NC(=O)[C@H](N)C1COC1)c1ccccc1O 2072483262 BVDRKRRMCDJDHS-PRHODGIISA-N 250.298 0.543 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CCOC[C@@H]1CCO 2188867820 HIBDIKLAXQFAEO-VIFPVBQESA-N 283.280 0.027 10 10 CCCE C[C@H](NC(=O)N1CC[C@@H](CN=[N+]=[N-])C1)S(C)(=O)=O 2082958530 AMLVZKRHNCQWLV-SFYZADRCSA-N 275.334 0.719 10 10 CCCE Cc1cccc(CNC(=O)[C@@H](N)CN(C)C)c1O 2084057702 XLZJTCPJQFEZCQ-NSHDSACASA-N 251.330 0.206 10 10 CCCE O=C(O)CC1(O)CN(Cc2ccc(F)cc2O)C1 2084075974 VQBBGVMMJKIGGN-UHFFFAOYSA-N 255.245 0.553 10 10 CCCE NC(=O)[C@H](NC[C@H]1CCCO1)c1c(O)cccc1F 2104474653 UROKLMJIUYYBDD-PRHODGIISA-N 268.288 0.826 10 10 CCCE C[C@H]1CCNC[C@@H]1N(C)C(=O)c1cc(O)nc(O)c1 2107351313 AVJCSHMQNDJZEG-WPRPVWTQSA-N 265.313 0.563 10 10 CCCE CO[C@@H]1CN(CC(=O)c2ccc(O)c(O)c2)C[C@H]1F 2090291560 PXEVXFZNPMTQSX-NOZJJQNGSA-N 269.272 0.949 10 10 CCCE CN(C)c1ccc([C@@H](O)C(=O)c2nnn(C)n2)cc1 2090853325 AIKCODODNGXPKE-SNVBAGLBSA-N 261.285 0.192 10 10 CCCE C[C@@H]1COC[C@H](C(=O)N(C)Cc2ccccc2O)N1 2112022931 SSEIRDSFLFYNPM-ZYHUDNBSSA-N 264.325 0.728 10 10 CCCE CN(C)C(=O)[C@H]1COCCN1c1ccc(CN)cc1 2098795529 CQXKXUATANRQJH-CYBMUJFWSA-N 263.341 0.439 10 10 CCCE CO[C@@H]1CS(=O)(=O)C[C@H]1N1CCC[C@@H](N=[N+]=[N-])CC1 2099339278 PXFRXJKHPODBKK-GMTAPVOTSA-N 288.373 0.963 10 10 CCCE Nc1ccc(NC(=O)CN2CC[C@H]3C[C@@]3(O)C2)cc1 2114556804 IJEGKFMLLPYULO-IINYFYTJSA-N 261.325 0.664 10 10 CCCE C[C@H](c1ccc(F)cc1O)N(C)[C@@H]1CC(=O)NC1=O 2114732627 OFKCBOFTPCGPOR-GMSGAONNSA-N 266.272 0.939 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@H]2CC3(CCC3)[C@@H]2O)cc1 2205600860 RFFMXGNVAJDHFC-CHWSQXEVSA-N 296.392 0.992 10 10 CCCE COc1ccc(N2C[C@@H](O)C[C@@H]2CO)c(CN)c1 2220414783 MSZMCKXFKRVFQY-MNOVXSKESA-N 252.314 0.086 10 10 CCCE Cc1cc([C@@H](C)O)ccc1N1C[C@@H](O)C[C@@H](O)C1 2223977358 FEYJKIVTGKLISD-RTXFEEFZSA-N 251.326 0.980 10 10 CCCE OC[C@H](O)[C@H]1COCCN1c1ccc2c(c1)COCC2 2235069225 KIDOBURDGFRWLZ-CABCVRRESA-N 279.336 0.318 10 10 CCCE [N-]=[N+]=N[C@@H]1CCC[C@H]1NS(=O)(=O)N1CCC[C@@H]1CO 2225799618 LPKLBPQDNNJCEK-OPRDCNLKSA-N 289.361 0.509 10 10 CCCE COc1ccc(N2C[C@H]3OCCO[C@@H]3C2)c(CN)c1 2227673955 SOKZWJZSKWHYPI-ZIAGYGMSSA-N 264.325 0.758 10 10 CCCE COc1ccc(N2C[C@@H](O)C[C@H](OC)C2)c(CN)c1 2227683711 YGCWQSMMQGVBSU-AAEUAGOBSA-N 266.341 0.740 10 10 CCCE COc1ccc(N2CC[C@H](O)[C@H](O)CC2)c(N)c1 2256983343 GSIPSMMQGAYNJY-BETUJISGSA-N 252.314 0.599 10 10 CCCE CSc1ncc(CNC(=O)[C@H]2CO[C@H](CN)C2)s1 2257024299 VZPDAUNOMVHBCI-SFYZADRCSA-N 287.410 0.845 10 10 CCCE C[C@H](N)c1cc(F)c(N2CC[C@@H]2[C@@H](O)CO)c(F)c1 2270679662 CNXBZHSESHLQHT-BPTDKIDVSA-N 272.295 0.916 10 10 CCCE Cc1cccc(CNC(=O)[C@H]2CC[C@@H](O)CN2)c1O 2264585550 LATNPOXEGFUIIH-VXGBXAGGSA-N 264.325 0.430 10 10 CCCE CNCc1ccc(N2CC[C@H](S(=O)(=O)N(C)C)C2)cc1 2279298499 JTNWQQWHWYCLCR-AWEZNQCLSA-N 297.424 0.876 10 10 CCCE O=C1Nc2cc(N3CC[C@]4(O)C[C@@H]4C3)c(F)cc2[C@H]1O 2279952980 VXABEHSWHVCJSO-PYSYBHHASA-N 278.283 0.772 10 10 CCCE CNC(=O)[C@@H]1COCCN1c1ccc([C@@H](C)N)c(C)c1 2285128685 NHUPQRHRKIAJBC-RISCZKNCSA-N 277.368 0.966 10 10 CCCE Cc1ccc(O)c(CNCCS(=O)(=O)CCO)c1 2314164490 ZGFDBGWCQMVHDR-UHFFFAOYSA-N 273.354 0.197 10 10 CCCE COc1ccc(N2C[C@H]3CS(=O)(=O)[C@H]3C2)c(CN)c1 2336472910 HRZIXUMDJIONKN-GWCFXTLKSA-N 282.365 0.387 10 10 CCCE N[C@H]1CC[C@@H]1S(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1 2338266379 GYWHCRCRKFPTMV-XVKPBYJWSA-N 287.297 0.532 10 10 CCCE NCc1ccc(N2C[C@@H](O)C[C@H]2CO)cc1C1CC1 2339145978 NBXJPTCNYABYRJ-KBPBESRZSA-N 262.353 0.955 10 10 CCCE C[C@H](c1cc(O)ccc1O)N(CCO)CCC(=O)O 2342685895 HNYWNYKLHRMYPI-SECBINFHSA-N 269.297 0.928 10 10 CCCE CN1CCN(C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)CC1=O 2343685631 BHLFNHFZKFIUPW-VIFPVBQESA-N 266.305 0.513 10 10 CCCE O=C(O)/C=C/c1ccc(N2CCNC(=O)C2)c(F)c1 20527111 HRWYXSGZPXLXBK-DUXPYHPUSA-N 264.256 0.860 10 10 CCCE CN(C)c1ccc(CNC(=O)C(C)(CO)CO)cc1 129522484 DOIMBJVZYCMVMF-UHFFFAOYSA-N 266.341 0.360 10 10 CCCE O=C(N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O)C1CC1 40225634 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CO[C@@H]1CN(c2cc3c(cc2N)NC(=O)CC3)C[C@H]1O 396038701 ZYBOQQKGPCDTCJ-CHWSQXEVSA-N 277.324 0.349 10 10 CCCE O=C(NCC1CCNCC1)c1cc(O)c(O)c(O)c1 2132401484 UOLVUPFSVVTCAN-UHFFFAOYSA-N 266.297 0.533 10 10 CCCE CCCN[C@H]1C(=O)Nc2cc(N(C)CC(N)=O)ccc21 723176578 MRQGJXHCQWZKOY-CYBMUJFWSA-N 276.340 0.601 10 10 CCCE C/C=C/[C@H](O)C(=O)NCc1cc(OC)ccc1O 901131436 MEAAOORJNHKOKX-PCAWENJQSA-N 251.282 0.954 10 10 CCCE COc1cccc(CN2CCO[C@@H]([C@@H](C)O)C2)c1O 840978443 RIQVUNBFDQIJOU-ZWNOBZJWSA-N 267.325 0.982 10 10 CCCE C[C@]12COC[C@@H]1CN(C(=O)C(=O)Nc1ccc(N)cc1)C2 850849832 KSOFYHUFJBAXLH-BONVTDFDSA-N 289.335 0.702 10 10 CCCE CON(C)C(=O)[C@@H](C)NC(=O)NCc1c(O)cccc1F 923478387 AWKYEDLGLNWAON-MRVPVSSYSA-N 299.302 0.739 10 10 CCCE COC(=O)c1cc(OCc2nnnn2C)ccc1N(C)C 865396132 LINJWRISHQDUDI-UHFFFAOYSA-N 291.311 0.642 10 10 CCCE O=S(=O)(NC1CC1)N1Cc2cccc(O)c2C1 867691432 WHQQFWWYHOFBII-UHFFFAOYSA-N 254.311 0.705 10 10 CCCE NC[C@H]1CC[C@H](NC(=O)COc2ccc(N)cc2)C1 1876524515 ZJVDXQSLIXTULC-JQWIXIFHSA-N 263.341 0.891 10 10 CCCE CN1CCN(c2ccc(CNC[C@](C)(O)CO)cc2)CC1 794748033 GIDUUKCCTBWWTH-INIZCTEOSA-N 293.411 0.271 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N3C[C@@H]4C[C@H](C3)O4)ccc21 1899731325 KKGXGDIBIPTTSN-GBIKHYSHSA-N 259.309 0.877 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H](O)CN1 37823769 LDKSRWCLBKWSBB-QWRGUYRKSA-N 250.298 0.073 10 10 CCCE CC[C@H](O)[C@H](C)NC(=O)Cc1ccc(O)c(O)c1 1963185862 KMGSIKMTWMJLBN-WPRPVWTQSA-N 253.298 0.916 10 10 CCCE Nc1ccc(OCCN2C[C@H](CO)[C@@H](CO)C2)cc1 704756326 UOJYYNVJSFMFBB-VXGBXAGGSA-N 266.341 0.180 10 10 CCCE C[C@H](N[C@H]1CCOC[C@@H]1O)c1ccc(O)cc1O 706722290 CXLUJDRJQZDPJT-QWRKXWFKSA-N 253.298 0.898 10 10 CCCE C[C@@]1(O)CCN(c2ccc3c(c2)CC[C@H]3N)C[C@H]1O 1893303479 ZMNLCSURRLQMKW-RBSFLKMASA-N 262.353 0.955 10 10 CCCE CS(=O)(=O)[C@H]1C[C@H](NCc2cc3c(cc2O)OCO3)C1 714252188 XGFZQMJNKHDEHV-MGCOHNPYSA-N 299.348 0.786 10 10 CCCE NC[C@H]1C[C@@](F)(CNC(=O)c2cc(O)nc(O)c2)C1 2115644378 XLCSUWQBWYVKRF-HCJPZQEFSA-N 269.276 0.300 10 10 CCCE NC(=O)N=Nc1ccc(C(=O)N2C[C@@H](CO)[C@@H](O)C2)cc1 1299171375 XWHXUKAIMDIANM-ONGXEEELSA-N 292.295 0.274 10 10 CCCE O=C(O)C[C@@H]1CN(Cc2cc(F)ccc2O)C[C@H]1O 2117732299 PVTOWKVLJBOLDK-BXKDBHETSA-N 269.272 0.799 10 10 CCCE CN1CCc2c1cc(O)c1c2[C@](O)(CN)CCCO1 212033152 QXTKNMNLCPZKRM-CQSZACIVSA-N 264.325 0.703 10 10 CCCE CNC[C@H]1CN(c2ccc(OC)cc2)CC(=O)N1C 216997562 OWZUTJSFERAPGT-LBPRGKRZSA-N 263.341 0.562 10 10 CCCE NCC[C@@H]1C(=O)NN(c2ccccc2Cl)C1=O 106654661 HOSGBGAZZMZFCC-SSDOTTSWSA-N 253.689 0.683 10 10 CCCE O=C(N[C@H](CO)[C@@H](O)c1ccccn1)c1cc(O)cs1 1587168113 KIZJMVIRGGARJE-PWSUYJOCSA-N 294.332 0.673 10 10 CCCE C[C@H](C(=O)N1CCOCC1)N1CC[C@H](CN=[N+]=[N-])C1 1912181244 LTOLVKYVPXWEPX-GHMZBOCLSA-N 267.333 0.866 10 10 CCCE COC(=O)[C@](C)(NCCCN=[N+]=[N-])c1ncnn1C 1912146800 UOTVQZJXIRCGQT-SNVBAGLBSA-N 267.293 0.493 10 10 CCCE COC(=O)[C@H](C)S(=O)(=O)N1CC[C@H](N=[N+]=[N-])C1 1912180640 DJXGAMGFOSPDCL-BQBZGAKWSA-N 262.291 0.262 10 10 CCCE C[C@@H](O)c1ccc(N2C[C@@H]3C[C@H](C2)[C@@H](O)[C@@H]3O)cc1 2126158060 KJSVHLAIHWRAEX-USTATANYSA-N 263.337 0.918 10 10 CCCE O=C1CC[C@@H](NCc2cccc(Cl)c2O)C(=O)N1 158802222 DJDRGLVZWFOFCQ-SECBINFHSA-N 268.700 0.940 10 10 CCCE COCCNCc1ccc(N2CCO[C@H](CO)C2)c(F)c1 167295734 PTKFMQJFBACPKS-ZDUSSCGKSA-N 298.358 0.759 10 10 CCCE C[C@H](Oc1ccc(N)cc1)C(=O)N[C@H](CC(=O)O)C(=O)O 1860082778 UCFGLMUKXCSLKS-OIBJUYFYSA-N 296.279 0.080 10 10 CCCE CO[C@H]1C[C@@H]1NS(=O)(=O)CCOc1ccc(N)cc1 2131668591 XCMIZQVORCRLQE-RYUDHWBXSA-N 286.353 0.354 10 10 CCCE CNC(=O)[C@@H](C)N(C)c1ccc2c(c1)N(C)C(=O)[C@H]2N 1916819470 WTHJRDKAKVFUGI-PELKAZGASA-N 276.340 0.234 10 10 CCCE CCOC(=O)[C@H](N)C(=O)N(C)Cc1ccccc1O 224028412 FTKKAGCTGKKSCW-LLVKDONJSA-N 266.297 0.241 10 10 CCCE COc1ccc(CN[C@H]2COC[C@@H]2N(C)C)c(O)c1 1922049475 NEFPZACWPYSSOB-STQMWFEESA-N 266.341 0.819 10 10 CCCE Cc1ccc(O)c(CN2CC(=O)NC[C@@H]2C(=O)O)c1 2136363221 SGTVRULQLQGIRL-SNVBAGLBSA-N 264.281 0.086 10 10 CCCE C[C@@H]1CS(=O)(=O)CCN1CCc1ccc(N)cc1 228725292 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NCc1ccc(N2C[C@H](O)C[C@@H](O)C2)c(Cl)c1 1998331636 SEYDMZINPUQJEF-NXEZZACHSA-N 256.733 0.731 10 10 CCCE NC(=O)[C@@]1(O)CCCN(CCCc2ccc(N)cc2)C1 2146752554 GQPMNGLWJYTITC-OAHLLOKOSA-N 277.368 0.514 10 10 CCCE CN[C@@H]1CCN(C(=O)c2ccc(O)c(O)c2)C[C@@H]1OC 2146721745 BJDFNIFBLCNCDF-MFKMUULPSA-N 280.324 0.547 10 10 CCCE NC(=O)CN(Cc1ccc(N)cc1)Cc1ncccn1 54460459 GKLXBAJSLSXDTA-UHFFFAOYSA-N 271.324 0.546 10 10 CCCE CO[C@H]1CN(C(=O)c2ccc(O)c(O)c2)C[C@H]1F 2029811668 HDLFUHGZJPQCSQ-KCJUWKMLSA-N 255.245 0.907 10 10 CCCE COc1ccc(N2CCN(C[C@@](C)(N)CO)CC2)cc1 70339720 FMKPOEYAYUYECY-OAHLLOKOSA-N 279.384 0.527 10 10 CCCE COc1ccc(N(CCCN)C[C@@H](O)CN(C)C)cc1 312331035 HPBFSTUSGWFRJA-AWEZNQCLSA-N 281.400 0.773 10 10 CCCE COc1cc(N)c(N2C[C@H](O)[C@@H](CO)C2)cc1OC 316581038 VYPPQMYMKMWRRW-KCJUWKMLSA-N 268.313 0.075 10 10 CCCE N[C@H](c1ccccc1O)C1(O)C[C@H]2CS(=O)(=O)C[C@@H]2C1 2161136003 QCOPNMHEEAKYRF-OUJBWJOFSA-N 297.376 0.578 10 10 CCCE Nc1ccc(CC(=O)N2CC[C@](CO)(C(=O)O)C2)cc1 2159953102 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C[C@H](NCc1cccc(O)c1O)c1nc(O)n[nH]1 392411885 BWQVMZYWSBVRAD-LURJTMIESA-N 250.258 0.772 10 10 CCCE COc1cccc(CN[C@H]2CCN(C3COC3)C2)c1O 2169574364 DRBCVBAEAPABNO-LBPRGKRZSA-N 278.352 0.964 10 10 CCCE CN1CCc2cc([C@@H](N)[C@@](C)(O)CS(C)(=O)=O)ccc21 2170403244 NIMFESQLIFQRPQ-KGLIPLIRSA-N 298.408 0.474 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3CC[C@@H]4C[C@@]4(O)C3)cc21 2171024366 FYTBZPDLJGFHOI-XXLQHYSLSA-N 273.336 0.624 10 10 CCCE C[C@H](N)c1ccc(N2CCN(CCO)C(=O)C2)c(F)c1 2171075139 XKVVSXRCIRNSHY-JTQLQIEISA-N 281.331 0.486 10 10 CCCE CN(C)C[C@H]1COCCN1C(=O)c1cccc(O)c1O 1148219246 YLBZHKOEXLJBOI-JTQLQIEISA-N 280.324 0.500 10 10 CCCE C[C@H](O)CN(CCc1ccc(N)cc1)C[C@H](C)O 2041728392 IQXOJCUDBGJNQA-RYUDHWBXSA-N 252.358 0.875 10 10 CCCE Cn1ncc(CNS(=O)(=O)Cc2ccc(N)cc2)c1N 2191644189 NTZDUOQHEKFPTD-UHFFFAOYSA-N 295.368 0.204 10 10 CCCE COC1CN(S(=O)(=O)N2CCC[C@@H]2CN=[N+]=[N-])C1 2043673457 PMYCHNCJSKHUFU-MRVPVSSYSA-N 275.334 0.337 10 10 CCCE COC(=O)c1cncn1CC(=O)Nc1ccc(N)cc1 2186257357 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CN(CCOc1ccc(N)cc1)C[C@@H]1COCCO1 2087386283 PMIKFLHMCBFFOT-CQSZACIVSA-N 266.341 0.995 10 10 CCCE Nc1ccc(NC(=O)N2C[C@@H](CO)C[C@@H]2CO)cc1 2089904966 PGIQFBRUUOODSN-JOYOIKCWSA-N 265.313 0.476 10 10 CCCE CS(=O)(=O)C1([C@H](O)[C@@H](N)c2ccccc2O)CCC1 2110401554 GIAVLXMCNVXZGH-NWDGAFQWSA-N 285.365 0.720 10 10 CCCE CO[C@H]1CNCC[C@@H]1NC(=O)c1cccc(O)c1O 2090584474 SGBSXAAGEZFOJQ-ONGXEEELSA-N 266.297 0.205 10 10 CCCE C[C@H]1C[C@H]1N(CCO)CC(=O)c1ccc(O)c(O)c1 2110790522 UXKOAEWILZUHAO-GXSJLCMTSA-N 265.309 0.983 10 10 CCCE CN(C)c1ccc([C@H](O)[C@H](N)c2nncn2C)cc1 2091614969 MJWDGJCFANPTDG-RYUDHWBXSA-N 261.329 0.615 10 10 CCCE COc1ccc(N(CCCN)C[C@@H]2CC(=O)N2)cc1 2092751314 JGIFTMXLVYQMJT-NSHDSACASA-N 263.341 0.739 10 10 CCCE C[C@H](C(=O)Nc1ccc(N)cc1)N1C[C@@H](O)[C@H](F)C1 2092765432 GPBIZQHDJUFSOD-GGZOMVNGSA-N 267.304 0.610 10 10 CCCE C[C@@H](CS(N)(=O)=O)NCc1ccc2c(c1)CCN2C 2096644590 SVSOHKJSRYDDRF-JTQLQIEISA-N 283.397 0.446 10 10 CCCE CC[C@H](NC)c1ccc(N2C[C@H](O)[C@H](O)[C@H]2CO)cc1 2201031844 BWGXLBUHXTZTEF-LJISPDSOSA-N 280.368 0.260 10 10 CCCE Cc1cccc(CNC(=O)c2c(CN)cnn2C)c1O 2204607548 APOMVJJQLFMWFA-UHFFFAOYSA-N 274.324 0.823 10 10 CCCE O=C(NC[C@@H]1C[C@@H]2NCC[C@H]21)c1cc(O)c(O)c(O)c1 2205603207 GMABHFDGJDHKFZ-GUBZILKMSA-N 278.308 0.531 10 10 CCCE CN(Cc1ccc(N2CCNCC2)cc1)C1COC1 2270554061 YNEVLLGUEPMCJO-UHFFFAOYSA-N 261.369 0.927 10 10 CCCE CNCc1cc(OC)ccc1N1CC(O)(CCO)C1 2270655576 WQVMKFRBVJGCGR-UHFFFAOYSA-N 266.341 0.348 10 10 CCCE COc1ccc(N2CCN(C)C[C@H]2CO)c(F)c1 2219608470 IPHIVNYLLAAQND-JTQLQIEISA-N 254.305 0.947 10 10 CCCE Nc1ccc(OCCC(=O)N2C[C@H](O)C[C@@H](F)C2)cc1 2234672970 JJXONYQMWLOZHE-ZYHUDNBSSA-N 282.315 0.969 10 10 CCCE COC[C@@H]1[C@H](O)[C@@H](O)CN1c1ccc(OC)c(OC)c1 2235125005 RSQMDBFSUDLOHD-SUNKGSAMSA-N 283.324 0.261 10 10 CCCE CCNCc1cc(OC)ccc1N1C[C@@H](O)[C@H](CO)C1 2235954260 KZWXKZNLQQUAQT-SWLSCSKDSA-N 280.368 0.594 10 10 CCCE COc1ccc(N2CC[C@@H]([C@@](C)(O)CO)C2)c(CO)c1 2235963684 SKVMZRVYIYTKKM-DOMZBBRYSA-N 281.352 0.757 10 10 CCCE Nc1ccc(O)c(CN2CCN3C(=O)COC[C@@H]3C2)c1 2236945731 OVVZWMOMDVXWGW-LBPRGKRZSA-N 277.324 0.017 10 10 CCCE CCN(C(=O)c1c[nH]nc1CCN)c1cccnn1 2227034423 IRLRLXLKKCFODI-UHFFFAOYSA-N 260.301 0.368 10 10 CCCE CCNCc1cc(OC)ccc1N1CC[C@H]1C(N)=O 2227681154 HJMXYKOUJXYAQC-ZDUSSCGKSA-N 263.341 0.869 10 10 CCCE Nc1ccc(OCCN2CCNCCNCC2)cc1 2227918850 HUZGEMBJZKRLDW-UHFFFAOYSA-N 264.373 0.142 10 10 CCCE C[C@@H](O)c1ccc(N2CC(O)(CCO)C2)c([N+](=O)[O-])c1 2286176869 OITCMELLDUBJER-SECBINFHSA-N 282.296 0.582 10 10 CCCE CS(=O)(=O)[C@H]1C[C@H]([C@H](NN)c2ccccc2O)C1 2257555995 PMKNQCRWMARQFJ-AUTRQRHGSA-N 270.354 0.720 10 10 CCCE C[C@@H](c1cc(F)ccc1O)N(C)CC1(O)CNC1 2259129098 ANIPKBSWGJJFKY-VIFPVBQESA-N 254.305 0.858 10 10 CCCE Nc1ccc(CN2C[C@H]3OCC[C@]3(C(=O)O)C2)cc1 2278922039 LTJBDVJIFXSAEG-OCCSQVGLSA-N 262.309 0.944 10 10 CCCE COc1ccc(N2CCC[C@@H]3CNC(=O)[C@H]32)c(CO)c1 2279274174 WPOOZSONHPPYRK-YGRLFVJLSA-N 276.336 0.902 10 10 CCCE Cn1cc(S(=O)(=O)Cc2ccc(N)cc2)cn1 2302612749 YQZJRQJKBWRENA-UHFFFAOYSA-N 251.311 0.976 10 10 CCCE CSc1cc(N2CC(O)(CO)C2)ccc1CN 2308070484 UMUCMQMRSXETED-UHFFFAOYSA-N 254.355 0.411 10 10 CCCE C[C@H](O)c1ccc(N2C[C@@H]3[C@H](C2)CS3(=O)=O)cc1 2314783473 ITHKXOWFMXISLG-UFGOTCBOSA-N 267.350 0.973 10 10 CCCE Cc1cccc(CNS(=O)(=O)[C@H]2CC[C@@H]2N)c1O 2316356537 YLWKXBRJFZEDLA-QWRGUYRKSA-N 270.354 0.610 10 10 CCCE CC(C)S(=O)(=O)N(C)Nc1ncc(CC(=O)O)s1 2317496380 FDFBPFFPEYMARL-UHFFFAOYSA-N 293.370 0.767 10 10 CCCE O[C@H]1C[C@@H]2C[C@H]([C@@H]1O)N(c1ccc3c(c1)CCO3)C2 2333689753 QOIVEIAVDJFQRP-AETLKFDBSA-N 261.321 0.942 10 10 CCCE NCc1ccc(N2CC[C@@H]2[C@H](O)CO)cc1C1CC1 2339163818 PHXFRLAPCWKIQK-HUUCEWRRSA-N 262.353 0.955 10 10 CCCE O=C(NC[C@@H]1CCC[C@H]1O)c1cccc(O)c1O 126626889 CNRVZWKQSXPQNZ-WCBMZHEXSA-N 251.282 0.989 10 10 CCCE C[C@H](N)c1ccc(N2[C@H]3CC[C@@H]2C[C@H](O)[C@@H]3O)cc1O 2357056493 KFCFJUOKZIAEHT-OXBIVINXSA-N 278.352 0.875 10 10 CCCE CCNC(=O)NC(=O)[C@@H](C)NCc1ccccc1O 228415109 ZGKIIXJSWYVEAI-SECBINFHSA-N 265.313 0.716 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N3CCNC(=O)C3(C)C)cc21 131390661 GFPFZZJBHORABP-LBPRGKRZSA-N 288.351 0.378 10 10 CCCE CCOC[C@@H](O)CNCc1ccc(O)c(O)c1O 381328991 HXJFNHDOGAZWLX-VIFPVBQESA-N 257.286 0.290 10 10 CCCE CCCNC(=O)[C@H](C)NC(=O)COc1ccc(N)cc1 49191718 ISSNYAPECCFKMS-JTQLQIEISA-N 279.340 0.679 10 10 CCCE N[C@@H](CO)c1c(Br)ccc(C(=O)O)c1O 95712721 ZMZHFGYBUMAJKM-LURJTMIESA-N 276.086 0.845 10 10 CCCE O=C(O)[C@H]1COCCN(C(=O)c2cccc(O)c2O)C1 700398144 MHMSQBDGJFNCDP-MRVPVSSYSA-N 281.264 0.271 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N3CCC[C@@H](C(N)=O)C3)cc21 250377329 KVQWMCMNYKGQAG-RNCFNFMXSA-N 288.351 0.365 10 10 CCCE C[C@@]12CN(S(=O)(=O)Cc3ccc(N)cc3)C[C@@]1(CO)C2 2165463901 MERFZFKAQFNSLN-ZIAGYGMSSA-N 296.392 0.803 10 10 CCCE CNC(=O)CN(C)c1ccc2c(c1)NC(=O)[C@H]2NC 723181873 HWJFBIPRNUUSEI-LBPRGKRZSA-N 262.313 0.081 10 10 CCCE CN1[C@H]2CC[C@H]1CN(S(=O)(=O)Cc1ccc(N)cc1)C2 723922764 ZFDMBVHYBJNVGV-KBPBESRZSA-N 295.408 0.877 10 10 CCCE CN(Cc1ccccc1O)C(=O)CN1CCC[C@@H](N)C1 2169282310 HAGBIPUTNVWIRH-CYBMUJFWSA-N 277.368 0.774 10 10 CCCE COc1ccc(N2CCC(NC[C@](C)(O)CO)CC2)cc1 812844898 MTJXPCOSRXFLDV-INIZCTEOSA-N 294.395 0.997 10 10 CCCE CN1C[C@@H](O)C[C@]1(C)C(=O)NCc1c(O)cccc1F 928709711 DOWWKILIDMHFLH-LKFCYVNXSA-N 282.315 0.603 10 10 CCCE COc1cccc(O)c1CNC[C@]1(OCCO)CCOC1 850358378 OHFOBUANRBAMII-OAHLLOKOSA-N 297.351 0.658 10 10 CCCE C[C@@H](Cn1cncn1)NC(=O)/C=C\c1ccc(O)c(O)c1 779482968 VXADPEABNQBPBC-ATPLWMGHSA-N 288.307 0.907 10 10 CCCE NC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(CO)cc1F 1877064981 UACWQCFURRBANC-UWVGGRQHSA-N 265.288 0.660 10 10 CCCE CN(c1cc2c(cc1N)OCC(=O)N2)[C@H]1CC[C@H]1N 1876366501 KNTWOGUQAQREHF-XCBNKYQSSA-N 262.313 0.526 10 10 CCCE CC(=O)C(=O)[C@@H](O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 1881507476 BXFLNPRHFRHDCH-ONGXEEELSA-N 271.313 0.762 10 10 CCCE C[C@H](NC[C@@]1(O)CCN(C)C1)c1c(O)cccc1O 702640837 KCRODNXZUFKDTR-HZMBPMFUSA-N 266.341 0.815 10 10 CCCE C[C@@H](CO)CN(C)CC(=O)N(C)c1ccc(N)cc1 688368961 IOZMROZCWRNTEG-LLVKDONJSA-N 265.357 0.792 10 10 CCCE CCCOCCNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 714975101 NQWRPOZJKUNIHX-NSHDSACASA-N 282.340 0.510 10 10 CCCE Nc1ccc(OCCC(=O)N[C@@H]2C=CS(=O)(=O)C2)cc1 88852704 CWJIAFAHHRKCDY-LLVKDONJSA-N 296.348 0.465 10 10 CCCE Cc1cn(CCOc2ccc(N)cc2)c(=O)[nH]c1=O 88452519 PTCJQYTXAFDBRK-UHFFFAOYSA-N 261.281 0.506 10 10 CCCE Nc1ccc(NC(=O)N2CCN3C(=O)NC[C@@H]3C2)cc1 91757047 HIJFHHAZALUIFQ-LLVKDONJSA-N 275.312 0.510 10 10 CCCE CN(CCS(C)(=O)=O)c1ccc2c(c1)NC(=O)[C@H]2N 94298863 GQBOJDKXFRVEPG-NSHDSACASA-N 283.353 0.119 10 10 CCCE CO[C@H](C(=O)N(C)Cc1ccccc1O)C1CNC1 2115730688 JQRMDTIJTGYGBS-ZDUSSCGKSA-N 264.325 0.585 10 10 CCCE O=C1N[C@H](C(=O)Nc2c(Cl)ccc3nonc23)CO1 1525321691 ANNOSOVTHZXCJX-LURJTMIESA-N 282.643 0.923 10 10 CCCE CCOc1ccc(N2CCNC[C@@H]2C(=O)O)cc1 214570629 QMBSBBBBXZGJPH-GFCCVEGCSA-N 250.298 0.948 10 10 CCCE O=S1(=O)C[C@H]2[C@H](CNCc3cccc(O)c3O)[C@H]2C1 2117990076 ZFVSKNNDSWAGST-RTCCRHLQSA-N 283.349 0.478 10 10 CCCE O=C(NCc1cc(O)ccc1O)c1csc(CO)n1 1471661997 KEGIQAFIIFILRD-UHFFFAOYSA-N 280.305 0.977 10 10 CCCE C[C@@H](N)[C@H](NC(=O)Cc1ccc(O)c(O)c1)C1CC1 2119393158 HKXPYILPBZCKTM-CLAHSXSESA-N 264.325 0.882 10 10 CCCE COCCOC[C@H](O)COCCc1ccc(N)cc1 2119732578 FVWULHAFQKEQIU-CQSZACIVSA-N 269.341 0.852 10 10 CCCE Nc1ccc(OCCNC(=O)[C@H]2[C@H]3OCC[C@@H]32)cc1 2119952471 NRJYKQIUVXXRDA-UPJWGTAASA-N 262.309 0.799 10 10 CCCE NC(=O)CC1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 1633785037 VDYPLDWNHDYJEV-UHFFFAOYSA-N 289.295 0.796 10 10 CCCE O=[N+]([O-])c1ccc(N2C[C@@H]3[C@H](CO)[C@@H]3C2)cc1CO 2125596024 SZZDGKVOGYHIRT-ZSBIGDGJSA-N 264.281 0.762 10 10 CCCE COC[C@](O)(CO)CNCc1ccc2c(c1)CCO2 1966067779 PBUNPNLJJQWESD-CQSZACIVSA-N 267.325 0.081 10 10 CCCE CN1CCO[C@@H](CN2CCc3cc(CN)ccc32)C1 2133390895 DEWBIFMMHONAOL-CQSZACIVSA-N 261.369 0.838 10 10 CCCE COC(=O)[C@@]1(NCCCN=[N+]=[N-])CCO[C@@]12CCOC2 1912186368 CSKSSKYHHZBHIG-NEPJUHHUSA-N 284.316 0.768 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1C[C@H]2CC[C@]2(CO)C1 1901747320 KRNFUFNGJHYXGM-NOZJJQNGSA-N 264.281 0.337 10 10 CCCE N[C@H](c1ccccc1O)[C@@]1(O)CCCS(=O)(=O)C1 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LODFUDLOWPHFJT-YPMHNXCESA-N 259.309 0.379 10 10 CCCE C[C@@H]1CN(c2ccc3c(c2)OCO3)C[C@@H](O)CN1 251670829 LNMNPHKNUWNKLS-KOLCDFICSA-N 250.298 0.574 10 10 CCCE Nc1ccc(OCCS(=O)(=O)NCC2(O)CC2)cc1 2130488311 QDAGAKAEHIJHKJ-UHFFFAOYSA-N 286.353 0.092 10 10 CCCE CS(=O)(=O)C1CN(c2ccc(CO)c([N+](=O)[O-])c2)C1 2132058888 RRVQSXUCBNZTLH-UHFFFAOYSA-N 286.309 0.320 10 10 CCCE CCCC1(NC(=O)Cc2ccc(O)c(O)c2)CNC1 2134145353 UKJUYYCQOQSMKU-UHFFFAOYSA-N 264.325 0.899 10 10 CCCE [N-]=[N+]=N[C@H]1CCCN(C(=O)[C@H]2CCS2(=O)=O)C1 1912153178 FBNDLVGOYJRQOK-JGVFFNPUSA-N 258.303 0.475 10 10 CCCE C[C@@]1(C(=O)O)CCN1C(=O)c1cc(O)nc(O)c1 1912441646 MNBPJQMSDQWIDE-NSHDSACASA-N 252.226 0.182 10 10 CCCE OCc1ccc(N2CC[C@H]3C[C@H]2[C@H](O)[C@H]3O)c(F)c1 2134821462 TZQOZDUSDRAKKP-HBEIAFGSSA-N 267.300 0.638 10 10 CCCE C[C@H](O)c1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CF)cc1O 2140661808 IWBUYCBXJAIENB-QNWTXNENSA-N 271.288 0.325 10 10 CCCE CC[C@@H](O)c1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CO)cc1 2136282279 AAAJWXPJCBSTJJ-RFQIPJPRSA-N 267.325 0.033 10 10 CCCE CC[C@@H](C)[C@H](CN)NC(=O)c1cc(O)c(O)c(O)c1 2136528177 GKMBOCVIIQBRRT-APPZFPTMSA-N 268.313 0.907 10 10 CCCE CCN(CC)C(=O)CNC(=O)c1ccc(O)c(O)c1 227022718 HGHHCWIRLGPQPQ-UHFFFAOYSA-N 266.297 0.696 10 10 CCCE C[C@@]1(C(=O)O)COCCN1Cc1ccc(O)cc1O 2136507676 URRMUGMJVWPHCL-ZDUSSCGKSA-N 267.281 0.773 10 10 CCCE C[C@]1(O)CN(C(=O)c2cccc(O)c2O)CC[C@H]1O 2136879380 PVKFMRANERVDQB-MFKMUULPSA-N 267.281 0.056 10 10 CCCE CC(F)(F)C[C@@H](NC(=O)c1cc(O)nc(O)c1)C(=O)O 1924407128 SXNLGMYCIQLJDE-ZCFIWIBFSA-N 290.222 0.721 10 10 CCCE CCS(=O)(=O)N(C)CCNCc1ccccc1O 1926340527 YQQWIWBYAQVLOB-UHFFFAOYSA-N 272.370 0.763 10 10 CCCE CO[C@H]1CN(C(=O)c2ccc(O)c(O)c2)C[C@H]1OC 234775182 MPDWYVOIHZRABQ-TXEJJXNPSA-N 267.281 0.584 10 10 CCCE COCC[S@@](=O)CCNC(=O)Nc1ccc(N)cc1 2142038355 WZEHWIRLNIBESK-IBGZPJMESA-N 285.369 0.785 10 10 CCCE Cn1[nH]c(=O)c(=O)nc1SCCCc1ccc(N)cc1 236091053 GRRDDXXBGIMUJT-UHFFFAOYSA-N 292.364 0.776 10 10 CCCE NCc1ccc(N2CCOC[C@@H]2C(N)=O)c(F)c1F 236223212 GERBJHFDNTWFLJ-SECBINFHSA-N 271.267 0.114 10 10 CCCE Cc1cc(O)ccc1NS(=O)(=O)C1CC(N)C1 1945613761 MYWSMFDACKEXBX-UHFFFAOYSA-N 256.327 0.932 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@@]2(CCNC2)C1 1970666403 QSRCUSAWLBESBM-OAHLLOKOSA-N 276.336 0.852 10 10 CCCE Nc1ccc(OCCS(=O)(=O)Nc2ncncn2)cc1 2149648538 CBBUDXRVBSJVML-UHFFFAOYSA-N 295.324 0.275 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CCCNC(=O)CC2)cc1 2145348034 CFFGZEDPJWERMM-UHFFFAOYSA-N 297.380 0.311 10 10 CCCE NC(=O)c1cccc(N)c1N[C@H]1CCC[C@H](C(N)=O)C1 2146208565 PUIYXLMSYKKJKT-IUCAKERBSA-N 276.340 0.824 10 10 CCCE O=C(O)[C@@H](Cc1ccc(O)c(O)c1)N1CCCOC1=O 41158386 WUXISAYPGGNCLK-SECBINFHSA-N 281.264 0.936 10 10 CCCE Cc1cccc(N)c1N[C@@H]1CS(=O)(=O)C[C@@H]1O 2008562517 SHLIOKXOHIYFRP-ZJUUUORDSA-N 256.327 0.147 10 10 CCCE [N-]=[N+]=NC[C@H]1NCC2(CCS(=O)(=O)CC2)CO1 2022229630 CDKJHTRCAZKKJI-QMMMGPOBSA-N 260.319 0.438 10 10 CCCE COc1ccc(CN[C@H]2CN(C)C[C@H]2O)cc1C 2029866961 MTPXSSYEYONWAK-QWHCGFSZSA-N 250.342 0.768 10 10 CCCE N[C@@H](CCNC(=O)c1ccc(O)c(O)c1)C1CC1 2030001945 YQAXAJJXFLSKOF-JTQLQIEISA-N 250.298 0.955 10 10 CCCE Nc1ccc(CC(=O)N2CC[C@H]3C(=O)NC[C@@H]3C2)cc1 2157191323 QNHPVCFCMNIEGG-DGCLKSJQSA-N 273.336 0.406 10 10 CCCE C[C@@]1(CO)CCN1S(=O)(=O)Cc1ccc(N)cc1 2036008007 NGMDFVYDNILFTI-LBPRGKRZSA-N 270.354 0.555 10 10 CCCE CCOC(=O)[C@@]1(NCCN=[N+]=[N-])CN2CC[C@H]1C2 2040803942 WXEUSJCVPWNJMP-GXSJLCMTSA-N 253.306 0.524 10 10 CCCE C[C@@H]1C[C@@H](O)CN(C(=O)c2cccc(O)c2O)C1 401572439 FXFJJOUOGKKVHJ-RKDXNWHRSA-N 251.282 0.941 10 10 CCCE CC(C)[C@@H](O)CN(CC(N)=O)Cc1ccc(N)cc1 311799567 BMLHINCWYCQWCU-ZDUSSCGKSA-N 265.357 0.573 10 10 CCCE CN(C)c1ccc(CNC(=O)c2cnc(=N)[nH]c2)cc1 2160469474 HMVPVQAFHDNEAA-UHFFFAOYSA-N 271.324 0.885 10 10 CCCE O=[N+]([O-])c1cc(CO)ccc1N1C[C@H]2C[C@H]1[C@@H](O)[C@@H]2O 2160702480 DDTPBFOLPDWNOC-GHORINQJSA-N 280.280 0.017 10 10 CCCE COc1cc(C(=O)NC2CC(C)(CO)C2)cc(OC)n1 2175820324 ARCYPLKKSFNIPD-UHFFFAOYSA-N 280.324 0.990 10 10 CCCE Nc1ccc(OCCN2CCN3C(=O)OC[C@H]3C2)cc1 2170703653 GWLOKVRDDQIWSP-GFCCVEGCSA-N 277.324 0.784 10 10 CCCE CS(=O)(=O)NC1CN(c2c(F)cc(CN)cc2F)C1 703019718 QJNRMEULAXTKBT-UHFFFAOYSA-N 291.323 0.161 10 10 CCCE COc1ccc(CN[C@H]2CCOC[C@H]2O)c(O)c1 706722326 GRVDZPXPUVIYOQ-WCQYABFASA-N 253.298 0.640 10 10 CCCE CN1C(=O)N[C@@H]2CN(c3ccc(CN)c(F)c3)CC[C@H]21 2171305095 NIRXDCLDZBQWNZ-CHWSQXEVSA-N 278.331 0.887 10 10 CCCE O=C(N[C@@]1(C(=O)O)CCCNC1)c1cccc(O)c1O 711770558 CEWOUKKOFAHGMQ-ZDUSSCGKSA-N 280.280 0.034 10 10 CCCE O=C1Nc2cc(N3CC=CC[C@@H]3CO)c(F)cc2[C@H]1O 2176378420 SPPDIHGXUGTWCQ-AMIZOPFISA-N 278.283 0.938 10 10 CCCE CCCNCc1ccc(N2CC(O)(C(=O)OC)C2)cc1 714463040 UVBYRTMZVZYFFN-UHFFFAOYSA-N 278.352 0.910 10 10 CCCE OCCN1CCC[C@@H](NCc2ccc(O)c(O)c2)C1 384297990 AXKKKAAWPOFWRP-GFCCVEGCSA-N 266.341 0.644 10 10 CCCE Nc1ccc(OCCCN(CCO)CCCO)cc1 385415444 YALIOFIYROPRQW-UHFFFAOYSA-N 268.357 0.714 10 10 CCCE C[C@@H]1[C@@H](NCc2ccc(O)c(O)c2O)CCN1C 719569292 IEHFFZZUINQQAR-SCZZXKLOSA-N 252.314 0.986 10 10 CCCE CC(CO)(CO)CN[C@@H]1CCc2cccc(O)c21 393892742 KZWZDVZANDMDJQ-LLVKDONJSA-N 251.326 0.960 10 10 CCCE COc1ccc(N2CC[C@H](O)[C@@H](CO)C2)c(N)c1 396924639 UOVQITWIOZGWRL-RNCFNFMXSA-N 252.314 0.457 10 10 CCCE CN1CCc2cc(CNCc3nnn(C)n3)ccc21 398084130 NBYWZAWUJNVHSE-UHFFFAOYSA-N 258.329 0.492 10 10 CCCE Nc1ccc(OCC(=O)N2CCO[C@@H](CCO)C2)cc1 2172872143 UWDHBFMHHJKVDA-ZDUSSCGKSA-N 280.324 0.257 10 10 CCCE CN(C1CC1)C1CN(c2ccc3c(c2)NC(=O)[C@@H]3N)C1 2172997891 RMCINWLHHJXWSP-CQSZACIVSA-N 272.352 0.921 10 10 CCCE CCOc1ccc(N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 2173419069 VTPCLXDOKWADQI-JSGCOSHPSA-N 275.352 0.834 10 10 CCCE CN1CCN(CCC(=O)Nc2ccc(N)cc2)[C@@H]2C[C@@H]21 2168369936 GJIKPOJJBPPYAA-UONOGXRCSA-N 274.368 0.986 10 10 CCCE NC(=O)C[C@H]1CCN(c2ccc(CO)c([N+](=O)[O-])c2)C1 2188573919 LSTUSHQUSFIHGB-SECBINFHSA-N 279.296 0.789 10 10 CCCE CCN[C@H](C)c1ccc(N2CC[C@@H](O)[C@@H](O)C2)cc1O 2188640844 VUXCBNDCSMJYRG-YVLXSGLVSA-N 280.368 0.995 10 10 CCCE O=C(NCC1(F)CC(CO)C1)c1cc(O)c(O)c(O)c1 2188867703 FLWLUIHTUAFIIA-UHFFFAOYSA-N 285.271 0.644 10 10 CCCE CN(Cc1cnn(C)n1)C(=O)c1cc(O)c(O)c(O)c1 2188909818 OMDWNQUTYKRBQP-UHFFFAOYSA-N 278.268 0.204 10 10 CCCE OCCOCCOCCNCc1ccc2c(c1)CCO2 2184294859 OOJGCPGVFOXMTC-UHFFFAOYSA-N 281.352 0.737 10 10 CCCE OC[C@]1(NCc2ccc(O)c(O)c2)C[C@H](O)C12CCC2 2193970017 MSEZTHCZKTWMHP-DZGCQCFKSA-N 279.336 0.853 10 10 CCCE Nc1ccc(CCC(=O)NC[C@@]2(CO)CCCO2)cc1 2194011628 LZTJLSBMPRPLFN-OAHLLOKOSA-N 278.352 0.859 10 10 CCCE C[C@@H]1C(=O)NC(=O)CN1c1ccc2c(c1)CCC[C@H]2N 2184692182 YKHBTYKTVVASKW-NOZJJQNGSA-N 273.336 0.874 10 10 CCCE CN1CC[C@H](CCNC(=O)c2ccc(O)c(O)c2)C1=O 2194704394 MVHICYAXSJULOF-VIFPVBQESA-N 278.308 0.696 10 10 CCCE CN(CC(C)(C)O)C(=O)c1cc(O)c(O)c(O)c1 2068578278 RJKWDTQZUGWDRU-UHFFFAOYSA-N 255.270 0.646 10 10 CCCE C[C@@H]1CNC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2068620782 JSURZUNUGDQJDF-HTRCEHHLSA-N 252.270 0.141 10 10 CCCE CCN1C[C@H](O)[C@@H](N(C)Cc2ccccc2O)C1 2072449896 DTHYBGNDIUMJCG-JSGCOSHPSA-N 250.342 0.889 10 10 CCCE CC[C@@H](NC(=O)Cc1ccc(N)cc1)C(=O)N(C)C 2100231430 POKCEMAMLXNSQT-GFCCVEGCSA-N 263.341 0.794 10 10 CCCE Nc1ccc(CC(=O)N2C[C@H](O)[C@@H]3COC[C@@H]32)cc1 2102189125 OCRYKQFEECENEN-AGIUHOORSA-N 262.309 0.029 10 10 CCCE C[C@@H](CNCc1ccc2c(c1)CCCO2)S(N)(=O)=O 2087536281 QLYCISICEPBNNM-JTQLQIEISA-N 284.381 0.778 10 10 CCCE COc1ccc(CNC[C@@H](O)c2cnc[nH]2)c(O)c1 2088647662 VWRDKZXXFYFRAH-CYBMUJFWSA-N 263.297 0.947 10 10 CCCE C[C@]12CN(C(=O)c3cc(O)nc(O)c3)C[C@@]1(CO)C2 2109181040 DGJGCQKKIMEXJY-QWHCGFSZSA-N 264.281 0.337 10 10 CCCE CN(C)c1ccc([C@H](N)[C@H]2CCN(C)S2(=O)=O)cc1 2089463200 WQPRABULPZPWNB-OLZOCXBDSA-N 283.397 0.786 10 10 CCCE COc1cc(C(=O)N[C@@H](C)C[C@H](C)O)cc(OC)n1 2110633863 DMSPDKMDZKJUHT-IUCAKERBSA-N 268.313 0.988 10 10 CCCE C[C@@]1(C(=O)NCCc2ccc(O)c(O)c2)CCNC1 2091749220 WOMGWHSUNFLPLJ-CQSZACIVSA-N 264.325 0.756 10 10 CCCE CC1(C)CN(c2ccc3c(c2)NC(=O)[C@@H]3N)[C@H]1CO 2092546776 FHKSRQRZRFJTRX-NWDGAFQWSA-N 261.325 0.846 10 10 CCCE COc1cccc(O)c1CNC1CN(CC(=O)O)C1 2113024035 NZATWGOPRBLYPQ-UHFFFAOYSA-N 266.297 0.259 10 10 CCCE CCOC(=O)[C@H]1CNCCN1Cc1ccc(F)cc1O 2204623814 MAJPBYBSHFXJFG-GFCCVEGCSA-N 282.315 0.868 10 10 CCCE COc1ccc(N2CCS(=O)(=O)CC2)c(CO)c1 2220427627 JRZMRGFCLIIPCK-UHFFFAOYSA-N 271.338 0.422 10 10 CCCE Nc1ccc(OCCC(=O)N[C@H]2CNC[C@@H](F)C2)cc1 2234650562 LIJKNADBQJGJHA-CMPLNLGQSA-N 281.331 0.854 10 10 CCCE O[C@H]1COC2(CN(c3ccc4c(c3)COCC4)C2)[C@H]1O 2235076487 OIWPANFRGVZSGQ-KBPBESRZSA-N 277.320 0.070 10 10 CCCE CN(C)[C@@H]1CN(c2ccc3c(c2)OCCCO3)C[C@H]1O 2235121553 KHMGFIPEZZPRHC-CHWSQXEVSA-N 278.352 0.959 10 10 CCCE COc1ccc(N2C[C@@H]3OCCN(C)[C@H]3C2)c(CO)c1 2236001548 HGCISTGLNZKZKN-GJZGRUSLSA-N 278.352 0.707 10 10 CCCE COCC1(C(=O)NCc2cnc(SC)s2)CNC1 2257076015 WXWKRLFLSCAFQF-UHFFFAOYSA-N 287.410 0.717 10 10 CCCE CC(C)C[C@@H](NC(=O)c1ccc(O)c(O)c1)C(N)=O 2264457556 RAFIUCKUFFPHJN-SECBINFHSA-N 266.297 0.728 10 10 CCCE Nc1ccc(OCC(=O)N2CCn3cncc3C2)cc1 2286549672 MNIPPHOMBOFYKB-UHFFFAOYSA-N 272.308 0.887 10 10 CCCE C[C@@H]1NCC[C@@](NCCCN=[N+]=[N-])(C(N)=O)[C@@H]1C 2321351443 KTHIIJPEWCWJJS-YWVKMMECSA-N 254.338 0.518 10 10 CCCE C[C@@H](N)c1ccc(N2C[C@@H]3C[C@H]2[C@@H](O)[C@H]3O)c(F)c1 2329329162 RUGMTPBIQKQIKQ-UUGWQDNISA-N 266.316 0.776 10 10 CCCE C[C@H]1CN(CC2=C[C@@H](O)[C@@H](N)C2)c2cccnc2O1 2331727903 DPNXAHQQJYHOFT-XHVZSJERSA-N 261.325 0.687 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CCC2CC1(CO)C2 2336446343 FQOVTOMKCOBUTG-UHFFFAOYSA-N 264.281 0.480 10 10 CCCE O=C1Nc2cc(N3CCOC[C@@H](F)C3)ccc2[C@H]1O 2336673049 GETLGPPVDBIOSI-QPUJVOFHSA-N 266.272 0.847 10 10 CCCE Nc1ccc(N2CC(=O)NC3(CCOCC3)C2)cc1 2341294131 QCOBULVMJKDNLK-UHFFFAOYSA-N 261.325 0.754 10 10 CCCE NC(=S)[C@@H](NC(=O)c1cccc(O)c1O)C1CC1 126160066 BMZSROUGESPWED-VIFPVBQESA-N 266.322 0.892 10 10 CCCE C[C@@H](CO)CN(CC(N)=O)Cc1ccc(N)cc1 128224636 FVYCQTGATNRWFV-SNVBAGLBSA-N 251.330 0.185 10 10 CCCE CC(=O)c1ccc(O)c(CN2CCN(C)C(=O)C2)c1 84205725 YINCVQKDWWWBJU-UHFFFAOYSA-N 262.309 0.869 10 10 CCCE NS(=O)(=O)CCCNCc1ccc2c(c1)CCO2 45070135 PAWFQSURUGGTFP-UHFFFAOYSA-N 270.354 0.390 10 10 CCCE C[C@H](NC(=O)COc1ccc(N)cc1)C(=O)N1CCCC1 228074661 WBNNYHAOCQKCBW-NSHDSACASA-N 291.351 0.775 10 10 CCCE CN(C)C(=O)CCNCc1ccc(O)c(O)c1O 226754331 ITPRZQAVCZFWSN-UHFFFAOYSA-N 254.286 0.371 10 10 CCCE C[C@@H](CNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1)CC(=O)O 147743121 GVJCNZXSYRIJMX-SCZZXKLOSA-N 296.323 0.195 10 10 CCCE O=C1CN(c2ccc(CO)cc2[N+](=O)[O-])[C@@H]2CC[C@H]2N1 2168363124 MYBJIZOPCMDBGH-NXEZZACHSA-N 277.280 0.554 10 10 CCCE Nc1ccc(CCNS(=O)(=O)[C@@H](C(=O)O)C2CC2)cc1 2167068421 OXFNRXZWDFNPRW-GFCCVEGCSA-N 298.364 0.594 10 10 CCCE C[C@@](CN)(NC(=O)c1cc(O)c(O)c(O)c1)C(F)F 2132404153 PNDIYMBCLFWLOY-NSHDSACASA-N 276.239 0.516 10 10 CCCE O=C(N[C@@H]1C[C@H]2NCC[C@@H]21)c1cc(O)c(O)c(O)c1 2132410523 NNPXBMUOQFFQBY-DJLDLDEBSA-N 264.281 0.284 10 10 CCCE CC[C@@H](N)c1ccc(N2CCN(CC(N)=O)CC2)cc1 723177694 VVOQCJDPQQAISN-CQSZACIVSA-N 276.384 0.704 10 10 CCCE [N-]=[N+]=N[C@H]1CO[C@H](OCc2ccccc2)[C@H](N)[C@H]1O 687770983 IHPXTIKWQXMPPH-USZNOCQGSA-N 264.285 0.927 10 10 CCCE CC(C)(C)n1nnc([C@@H](NCCCN=[N+]=[N-])C(N)=O)n1 697212933 AIZFZIALHPKGQJ-ZETCQYMHSA-N 281.324 0.245 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@H]2CCC[C@@H](N)C2)cc1 1876407860 BFSCXQPLSTWNEK-OLZOCXBDSA-N 283.397 0.958 10 10 CCCE C[C@H]1C[C@H](N)CCN1C(=O)COc1ccc(N)cc1 1876444625 SAXAGJJXAIWBRU-CMPLNLGQSA-N 263.341 0.986 10 10 CCCE C[C@@H](O)c1cc(F)c(N2C[C@@H](O)C[C@@H](O)C2)c(F)c1 1880478435 FLNFGSXLRNWAGY-QNSHHTMESA-N 273.279 0.950 10 10 CCCE C[C@H](NC(N)=O)C(=O)N(C)[C@@H](C)c1ccccc1O 701152048 UJPXNIQILLCPCH-IUCAKERBSA-N 265.313 0.968 10 10 CCCE CN(C)c1ccc(CNC(=O)[C@H](N)CC(=O)O)cc1 83481561 KFBCGHIFJYIPLV-LLVKDONJSA-N 265.313 0.171 10 10 CCCE CC(C)[C@@H](NC(N)=O)C(=O)N(C)c1ccc(N)cc1 702063809 KEEIPAZLKYUODD-LLVKDONJSA-N 264.329 0.925 10 10 CCCE C[C@@]1(O)CCN(c2c(F)cc(CO)cc2F)C[C@@H]1O 1893332864 VFPXNSKGIPWMNF-WCQYABFASA-N 273.279 0.779 10 10 CCCE CS(=O)(=O)N[C@@H]1CCCN(CCCN=[N+]=[N-])C1 703122758 DHGDUQJAERRATJ-SECBINFHSA-N 261.351 0.700 10 10 CCCE Cn1c(O)nnc1CNCc1cccc(O)c1O 692275531 LEUPPJUZZJYSRE-UHFFFAOYSA-N 250.258 0.222 10 10 CCCE CN(c1ccc(CN)c(F)c1F)[C@H]1COC[C@H]1O 709421295 LDQXAMDNJZLQED-VHSXEESVSA-N 258.268 0.619 10 10 CCCE Nc1ccc(OCCSC2=NC(=O)CC(=O)N2)cc1 716557572 NWRRCGAJLBAHFP-UHFFFAOYSA-N 279.321 0.783 10 10 CCCE CN(C)C[C@H](CO)NCc1cc2c(cc1O)OCO2 716753138 MUKVXXBWPAZXCA-SNVBAGLBSA-N 268.313 0.133 10 10 CCCE O=C(c1cc(O)nc(O)c1)N(C1CCC1)C1CNC1 695081013 AIDNJJMNWJYYIU-UHFFFAOYSA-N 263.297 0.459 10 10 CCCE CCOC(=O)[C@@H](O)CNCc1cnc(SC)s1 2248608678 IWTXAPMJAVMVNG-QMMMGPOBSA-N 276.383 0.879 10 10 CCCE CN(Cc1cnn(C)n1)C(=O)c1ccc(O)c(O)c1 2115788939 UHSBZCVSQVGBSI-UHFFFAOYSA-N 262.269 0.499 10 10 CCCE NC(=O)c1cc(C(=O)NCc2ccc(O)cc2O)co1 1299574553 RQSNVODOFTXUMQ-UHFFFAOYSA-N 276.248 0.720 10 10 CCCE CN[C@H]1CCCN(C(=O)c2cc(O)nc(O)c2)[C@H]1C 2115359187 NZEGLYWZDWSNLC-WPRPVWTQSA-N 265.313 0.705 10 10 CCCE Nc1ccc(OCC(=O)N2CC(O)(C(F)F)C2)cc1 2115492611 MDMUGMNYABSLPL-UHFFFAOYSA-N 272.251 0.486 10 10 CCCE Nc1ccc(CC(=O)NC[C@H]2CCCS2(=O)=O)cc1 212666652 AHCBPXDPJGMXAA-GFCCVEGCSA-N 282.365 0.505 10 10 CCCE Nc1ccc(OCCNC(=O)[C@@H]2[C@H]3CCO[C@H]32)cc1 2119952470 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CN1C[C@@H](N(C)C(=O)c2ccc(O)c(O)c2)CCC1=O 2188480515 QAFVCVNTUSIXCA-JTQLQIEISA-N 278.308 0.791 10 10 CCCE CNC(=O)[C@@H]1CCCN1c1ccc(CO)c([N+](=O)[O-])c1 2188572349 QCGKVLIJCGFUBP-NSHDSACASA-N 279.296 0.802 10 10 CCCE Nc1ccc(OC[C@H](O)CN2CCC=C[C@@H]2CO)cc1 2182340298 KFYKONNYXKBZHN-ZIAGYGMSSA-N 278.352 0.631 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@H]2C[C@@]2(C(=O)O)C1 2188868297 OWWQGRKCXWXOHL-FUXBKTLASA-N 279.248 0.350 10 10 CCCE COc1ccc(N2CC[C@@](N)(C(=O)O)C2)c(C)c1 2044288238 CYIBBGKUCOECIU-ZDUSSCGKSA-N 250.298 0.996 10 10 CCCE C[C@H](O)[C@@H]1CN(c2ccc(CO)cc2F)CCO1 2053840859 AHJQVLKWIUATOR-ZANVPECISA-N 255.289 0.904 10 10 CCCE CN(CC1CNC1)C(=O)c1cc(O)c(O)c(O)c1 2068624739 SAIFTEMJUWTCSW-UHFFFAOYSA-N 252.270 0.095 10 10 CCCE COc1cccc(CNC2([C@@H](O)CO)CC2)c1O 2069743325 JMFILIFWLHGEHZ-NSHDSACASA-N 253.298 0.376 10 10 CCCE C[C@@H](NS(=O)(=O)[C@H]1C[C@H](N)C1)c1ccccc1O 2072492180 ZEGLEXIGOBGDRM-OPRDCNLKSA-N 270.354 0.862 10 10 CCCE Cc1cc(CO)ccc1N1CC[C@H](O)C[C@@H]1CO 2080491443 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O=C(c1ccc(O)c(O)c1)N1C[C@@H](O)[C@@H](C2CC2)C1 2090674470 NQSPPOVKOGHTMX-ZWNOBZJWSA-N 263.293 0.941 10 10 CCCE CN[C@@H](c1ccccc1O)C1(O)CC(S(C)(=O)=O)C1 2091865902 CDPGLBFYVSIPBP-YHECAPGISA-N 285.365 0.591 10 10 CCCE O=C(c1cccc(O)c1O)N1CC[C@]2(C[C@H](O)CO2)C1 2201755774 RLZMTUQJGQLXRK-XPTSAGLGSA-N 279.292 0.464 10 10 CCCE COC1(CF)CN(C(=O)COc2ccc(N)cc2)C1 2112404421 NKCWCVZGNHOMCA-UHFFFAOYSA-N 268.288 0.845 10 10 CCCE Oc1cccc(CN[C@H]2CCN(C3COC3)C2)c1O 2113264137 QYSZMNAOJKWEQR-NSHDSACASA-N 264.325 0.661 10 10 CCCE Nc1cc2c(cc1N1C[C@H]3C[C@H]1[C@H]3CO)NC(=O)CO2 2203128615 NBOVPQIVSUEPGX-FYBVGQRMSA-N 275.308 0.417 10 10 CCCE COCC[S@](=O)CCNC(=O)CCc1ccc(N)cc1 2207028580 BBRHMAJMJLJWHY-HXUWFJFHSA-N 298.408 0.713 10 10 CCCE NCc1ccc(N2CCNCCNCC2)c(F)c1 2220631372 PUTKOFNBAJBNPC-UHFFFAOYSA-N 252.337 0.284 10 10 CCCE CNCc1ccc(N2C[C@H](O)[C@@H](O)[C@H]2COC)c(F)c1 2234075451 QUSMWSPDGXAFMX-RDBSUJKOSA-N 284.331 0.102 10 10 CCCE COC[C@@H]1[C@H](O)[C@H](O)CN1c1ccc(CN)cc1C 2225699732 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0.651 10 10 CCCE Cc1cc(N2CCS(=O)(=O)CC2)ccc1CN 50582339 ISXIYAAWOSBBQC-UHFFFAOYSA-N 254.355 0.689 10 10 CCCE COCCNCc1ccc(N2CCN(CCO)CC2)cc1 62736243 UOCPQAYFNAZTNY-UHFFFAOYSA-N 293.411 0.537 10 10 CCCE CCNC(=O)CCNC(=O)c1cccc(O)c1O 126535376 BYYPNBNQXKPJDM-UHFFFAOYSA-N 252.270 0.354 10 10 CCCE CC(C)CNS(=O)(=O)Nc1ccc(O)c(C(=O)O)c1 128395192 HOUKJKIGBUDBTC-UHFFFAOYSA-N 288.325 0.993 10 10 CCCE CCNCc1ccc(N2C[C@H](O)[C@@H](O)C2)c(Cl)c1 233548307 VXOJMXROWCGKQP-STQMWFEESA-N 270.760 0.991 10 10 CCCE C[C@@H]1CO[C@@H](CO)CN1[C@H](C)C(=O)Nc1ccc(N)cc1 251939719 ZMMUWYTVUDIXRT-JTNHKYCSSA-N 293.367 0.677 10 10 CCCE CN(Cc1cnsn1)C[C@@H](O)COc1ccc(N)cc1 2167116375 KFRABUDHLPDLFF-GFCCVEGCSA-N 294.380 0.992 10 10 CCCE CC(=O)C(=O)COC(=O)CN(C)[C@H]1CCSC1 808532216 OKYFSQMYZVBJGX-VIFPVBQESA-N 259.327 0.125 10 10 CCCE COc1ccc(N2CC(n3cc(CN)nn3)C2)cc1F 2162673298 QIYLSVJCLHSVBD-UHFFFAOYSA-N 277.303 0.946 10 10 CCCE Nc1ccc(OCC(=O)OCC2CS(=O)(=O)C2)cc1 722813577 OSBGHXFMISFSED-UHFFFAOYSA-N 285.321 0.235 10 10 CCCE Nc1ccc(CC(=O)N2CCOCCC23COC3)cc1 2166109789 QEJCNISPQFYJRX-UHFFFAOYSA-N 276.336 0.829 10 10 CCCE CCc1nn(C)c(Cl)c1C(=O)OCC(=O)C(C)=O 808532751 JVHGYPIZEWEWPO-UHFFFAOYSA-N 272.688 0.951 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N(C)[C@H](C)C(N)=O)ccc21 723193045 ZMHAZUPXCVWMLL-RDDDGLTNSA-N 262.313 0.209 10 10 CCCE CNC1[C@H](C)CN(C(=O)c2cc(O)nc(O)c2)C[C@H]1C 721627037 AQXRLZLRLXXYIO-RKDXNWHRSA-N 279.340 0.809 10 10 CCCE CN1CCN(C)CC(C(=O)NCc2ccc(O)cc2O)C1 910957606 SOCBFVGEVZDHEL-UHFFFAOYSA-N 293.367 0.207 10 10 CCCE CO[C@H](C)CS(=O)(=O)NCc1c(O)cccc1F 921452061 BZOQEKQVBRFWOK-MRVPVSSYSA-N 277.317 0.986 10 10 CCCE COc1ccc(N2CC[C@H](NC(=O)NCCCO)C2)cc1 854303417 WQLFWNGRBVDOFZ-LBPRGKRZSA-N 293.367 0.956 10 10 CCCE CO[C@@H]1CS(=O)(=O)C[C@@H]1N(C)Cc1ccc(N)cc1 696815833 RCNYSADBUKQDOR-QWHCGFSZSA-N 284.381 0.513 10 10 CCCE Nc1cc2c(cc1N1C[C@H](N)C3(CC3)C1)OCCO2 1876218019 RBRJTYLYOPYUQM-ZDUSSCGKSA-N 261.325 0.968 10 10 CCCE CO[C@@H]1CNCC[C@H]1Nc1c(N)cccc1C(=O)O 1876475289 KIJVPYUPHSFAEL-GHMZBOCLSA-N 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Nc1ccc(NC(=O)NCC[C@H]2CNCCO2)cc1 1876164192 UFSQIATWQKYUMY-LBPRGKRZSA-N 264.329 0.769 10 10 CCCE COC(=O)c1cccc(N)c1N[C@@H]1CNCC[C@@H]1O 1876507827 URMOFMSMFSZEAD-MNOVXSKESA-N 265.313 0.190 10 10 CCCE NCc1nnc(CNC(=O)c2cccc(O)c2O)s1 1877554285 MEUTZFXERARXHL-UHFFFAOYSA-N 280.309 0.338 10 10 CCCE CN1CCN(CCNC(=O)Cc2ccc(O)c(O)c2)CC1 1136076615 RAHZLCXLKJAIKP-UHFFFAOYSA-N 293.367 0.004 10 10 CCCE O=C(O)[C@H](O)C[C@@H]1NCCc2c1ccc(O)c2O 75794150 HHUONCUCNCOBLM-WCBMZHEXSA-N 253.254 0.120 10 10 CCCE Cn1cnc([C@@H]2NCCc3c2cc(O)c(O)c3O)c1 75819248 LALHMEBIZICRBX-LLVKDONJSA-N 261.281 0.772 10 10 CCCE CN(CCO)Cc1ccc(N2CCCNCC2)cc1 84857353 CAIJALWEDBDROZ-UHFFFAOYSA-N 263.385 0.910 10 10 CCCE CCN1CC[C@@H](NCc2ccc(O)cc2O)C1=O 708664464 BWXYCRRNNHUJNT-LLVKDONJSA-N 250.298 0.808 10 10 CCCE CCOC(=O)[C@@H](NCCN=[N+]=[N-])c1cn(CC)nn1 714417873 ONLNJBJWMLOLKH-VIFPVBQESA-N 267.293 0.802 10 10 CCCE COC(=O)[C@@H]1CCN(C(=O)Cc2ccc(N)cc2)C1 95017037 IWQAVKANMBHCGG-LLVKDONJSA-N 262.309 0.833 10 10 CCCE CN[C@H]1CN(C(C)=O)C[C@@H]1c1cccc(O)c1O 1614636467 XDVPEXYLWGWMGZ-MNOVXSKESA-N 250.298 0.632 10 10 CCCE CC(=O)N1C[C@H](CN)[C@H](c2ccc(O)c(O)c2)C1 1614807568 OWVQKSPAVNTQFV-QWRGUYRKSA-N 250.298 0.618 10 10 CCCE O=C(CCN1CCOCC1)NCc1cc(O)ccc1O 1558175042 YWKODFAHOFEEMW-UHFFFAOYSA-N 280.324 0.436 10 10 CCCE O=C(c1cccc(O)c1O)N1CCNCC2(CC2)C1 2123441149 VJMZUQWRXMIOGT-UHFFFAOYSA-N 262.309 0.923 10 10 CCCE Nc1nc(N)nc(NCc2c(O)cccc2F)n1 1643209831 HGXQVUCBKODZNI-UHFFFAOYSA-N 250.237 0.493 10 10 CCCE CN1CCN(Cc2c(O)cccc2F)C[C@@H]1C(=O)O 1964726279 BJFIHYKDSVEOAH-LLVKDONJSA-N 268.288 0.732 10 10 CCCE Nc1ccc(CS(=O)(=O)NCC=CCO)cc1 1911931011 QOGAYYNESAPWPK-UHFFFAOYSA-N 256.327 0.237 10 10 CCCE OCc1ccc(N2CC3(C2)OC[C@H](O)[C@H]3O)cc1Cl 2127263146 GARVKRUJDDDNMC-NWDGAFQWSA-N 285.727 0.143 10 10 CCCE Nc1ccc(OCCC(=O)NCCNC(=O)C2CC2)cc1 160636283 QBNRPKCYBKQVCI-UHFFFAOYSA-N 291.351 0.680 10 10 CCCE CC1(C)[C@@H](O)[C@@H](O)CN1c1ccc2c(c1)CC[C@@H]2O 2128314508 HHNTYAPYNLYSPV-IHRRRGAJSA-N 263.337 0.987 10 10 CCCE CCn1c(O)nnc1NC(=O)c1cccc(O)c1O 2141412215 UBJFIEDYPOSWBX-UHFFFAOYSA-N 264.241 0.667 10 10 CCCE O=C(N[C@@H](CCO)C(F)F)c1cc(O)nc(O)c1 1918575557 LGZHJBJNBUXZPO-LURJTMIESA-N 262.212 0.239 10 10 CCCE C[C@@H](CS(=O)(=O)N(C)C)NC(=O)Cc1ccc(N)cc1 1966990837 UESBKXSYPLORGA-JTQLQIEISA-N 299.396 0.207 10 10 CCCE CN(C)[C@@H]1COC[C@H]1NC(=O)COc1ccc(N)cc1 1922036312 DVLOBAYLRFSSAN-CHWSQXEVSA-N 279.340 0.093 10 10 CCCE COc1cc(Cl)cc(CN[C@@H]2CC(=O)N(C)C2=O)c1O 229052674 REKWUVYTGBOFND-SECBINFHSA-N 298.726 0.901 10 10 CCCE C[C@H](CO)N(C)S(=O)(=O)CCOc1ccc(N)cc1 122148172 YUYILUIVRMXJIO-SNVBAGLBSA-N 288.369 0.290 10 10 CCCE Cc1cccc(CNS(=O)(=O)N2CCOCC2)c1O 2139744043 RSEZABJFEKMUNG-UHFFFAOYSA-N 286.353 0.367 10 10 CCCE CNCc1ccc(N2C[C@@H](CO)[C@@H](O)C2)cc1OC 2139705287 XMHSYLWXALGNOT-AAEUAGOBSA-N 266.341 0.204 10 10 CCCE Cn1cc(S(=O)(=O)Nc2ccc(N)cc2)nn1 1940894466 WJNQTWWRJVJZFY-UHFFFAOYSA-N 253.287 0.198 10 10 CCCE NN[C@H](c1ccccc1O)[C@H]1CCCS1(=O)=O 1942401121 PDAGPNQYARJFNN-GHMZBOCLSA-N 256.327 0.474 10 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0.883 10 10 CCCE COc1ccc(N2CC(=O)N3CCOC[C@H]3C2)c(N)c1 2185858798 RPEVOVPLNZKOOX-SNVBAGLBSA-N 277.324 0.325 10 10 CCCE CN(C)CCOC[C@H](O)COc1ccc(N)cc1 2055654401 ITAIGIOMHYDOAQ-LBPRGKRZSA-N 254.330 0.587 10 10 CCCE N[C@@H]1CC[C@@H](C(=O)O)N(Cc2ccccc2O)C1 2068497911 KYVZXOMTUHEUND-MNOVXSKESA-N 250.298 0.769 10 10 CCCE CO[C@@H]1C[C@@H]2C[C@@](NCCN=[N+]=[N-])(C(N)=O)[C@H]2C1 2070328540 RIPSTFOSBUUGGS-REIXXSIJSA-N 253.306 0.555 10 10 CCCE COc1cccc(O)c1CN[C@]1(CO)C[C@H](O)C1 2076627038 AVWYMAAEHTZTJQ-SWZMTVOYSA-N 253.298 0.376 10 10 CCCE COc1ccc(N2CCNC[C@@H]2C(N)=O)cc1Cl 2082864693 XSFOAFGUDQKOCZ-SNVBAGLBSA-N 269.732 0.612 10 10 CCCE N[C@@]1(C(=O)O)CCN(Cc2ccc(F)cc2O)C1 2084079686 NJDMTSPXUOYSIS-LBPRGKRZSA-N 254.261 0.519 10 10 CCCE CN(C)c1ccc([C@@H](N)[C@]2(O)CCS(=O)(=O)C2)cc1 2106859963 OTBORUWPOGVCIN-OLZOCXBDSA-N 284.381 0.302 10 10 CCCE O=S1(=O)CC(c2noc(-c3ccc(O)c(O)c3)n2)C1 2089933062 IYQIAOQFPHOHPO-UHFFFAOYSA-N 282.277 0.660 10 10 CCCE Cc1cc(CN)ccc1N1CCOC[C@@H]1[C@@H](O)CO 2090135365 GCTJTSIFTIJYLD-KGLIPLIRSA-N 266.341 0.012 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)[C@]2(C(F)(F)F)CCNC2)C1 2112571762 UZVGKJYEZOSOEK-LAEOZQHASA-N 278.274 0.794 10 10 CCCE CN(CCN1CCOCC1)Cc1cc(N)ccc1O 2113749661 RZEVQUPAWRRWJI-UHFFFAOYSA-N 265.357 0.738 10 10 CCCE COCC12CC(NCc3ccc(O)c(O)c3O)(CO1)C2 2206060126 JLSVUOZXSIOPOG-UHFFFAOYSA-N 281.308 0.841 10 10 CCCE CCN(C(=O)c1cc(O)nc(O)c1)[C@H]1CCC[C@H]1O 2224230105 TUJLYLXWBVDSPC-VHSXEESVSA-N 266.297 0.868 10 10 CCCE CCn1nnnc1CN(C)c1ccc(OC)cc1CO 2235959495 PVOUXDMTQAYVLH-UHFFFAOYSA-N 277.328 0.830 10 10 CCCE COc1ccc(N2CCN(CCO)C(=O)C2)cc1F 2226784439 ULPPQAFTMRMTAW-UHFFFAOYSA-N 268.288 0.475 10 10 CCCE COCCN1C[C@H](O)[C@@H](Oc2ccc(N(C)C)cc2)C1 2237704406 KPIOTNKSUFIJCH-GJZGRUSLSA-N 280.368 0.823 10 10 CCCE C[C@@]1(CO)C=CCN1C(=O)c1cc(O)c(O)c(O)c1 2228861245 HFYJKJOEIWBRES-ZDUSSCGKSA-N 265.265 0.566 10 10 CCCE Cc1cc(CO)ccc1N1CC[C@H](O)[C@H](O)CC1 2256963731 FGGPZRDHLZCLRR-OKILXGFUSA-N 251.326 0.809 10 10 CCCE CSc1ncc(CNC(=O)C23COC(CN)(C2)C3)s1 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CC(=O)C(=O)[C@@H](O)[C@@H]1COCCN1C(=O)OC(C)(C)C 1954092527 FVJQMLDZMQPZFV-ONGXEEELSA-N 287.312 0.141 10 10 CCCE NC(=O)[C@H]1CCCN(c2cc3c(cc2N)NC(=O)CC3)C1 35341141 VOZLZOWHGDQIEG-JTQLQIEISA-N 288.351 0.855 10 10 CCCE C[C@@H](CO)N(C)[C@@H](C)C(=O)Nc1ccc(N)cc1 122253681 PATKQELLRZGUCZ-UWVGGRQHSA-N 251.330 0.908 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H](F)[C@@H](CO)C1 2132349553 FCHGJOGMZWINHL-HTQZYQBOSA-N 271.244 0.206 10 10 CCCE O=C(CN1C(=O)CSC1=S)NC[C@H]1CCCO1 82302853 AKNSLLXQIMYEKX-SSDOTTSWSA-N 274.367 0.142 10 10 CCCE O=C(NC[C@@]12COC[C@@H]1C2)c1cc(O)c(O)c(O)c1 2132349019 WXSWZZZTWMUSCV-SDBXPKJASA-N 265.265 0.570 10 10 CCCE CN(C)c1ccc(CNC(=O)N2CC(CO)C2)cc1 190549194 AMUKRMZDCZOIRM-UHFFFAOYSA-N 263.341 0.886 10 10 CCCE C[C@@H]1CCN(C(=O)c2ccc(O)c(O)c2)[C@@H]1CN 235318661 ASBSOBVCJRSASX-PSASIEDQSA-N 250.298 0.907 10 10 CCCE CO[C@H]1CCOC[C@H]1Nc1c(N)cccc1C(N)=O 725041922 JLNKRQBWOPGEFD-MNOVXSKESA-N 265.313 0.584 10 10 CCCE CN1CCC([C@@H]2C[C@@H]2NC(=O)c2cc(O)nc(O)c2)CC1 585507408 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CN(C(=O)CSc1n[nH]c(=O)n1C)c1ccc(N)cc1 61592387 YRAYJJRENLVWEC-UHFFFAOYSA-N 293.352 0.446 10 10 CCCE O=C1CCC(=O)N1CCNCc1cccc(O)c1O 405373264 BCCVNYINCBFVRC-UHFFFAOYSA-N 264.281 0.336 10 10 CCCE Cn1ncc(COC(=O)COc2ccc(N)cc2)n1 311499364 WNZYXDNIUGCPBK-UHFFFAOYSA-N 262.269 0.520 10 10 CCCE COc1ccc(N2CCN([C@@H]3COC[C@@H]3O)CC2)cc1 312420763 YOAURIHYELCOGU-CABCVRRESA-N 278.352 0.577 10 10 CCCE CS(=O)(=O)N[C@@H]1CCN(c2ccc(N)cc2)C1 702956571 ZURKDRPXVNKWOY-SNVBAGLBSA-N 255.343 0.397 10 10 CCCE COc1ccc(N2CC(NS(C)(=O)=O)C2)c(N)c1 702994120 NJIMPYSWANOKQD-UHFFFAOYSA-N 271.342 0.015 10 10 CCCE CN(Cc1cn(C)nn1)c1cc2c(cc1N)OCCO2 689242601 IINFFXRMGOKLSW-UHFFFAOYSA-N 275.312 0.805 10 10 CCCE CC(C)C1(O)CN(c2cc3c(cc2N)OCC(=O)N3)C1 384086548 URZOKEMTYLLMKT-UHFFFAOYSA-N 277.324 0.807 10 10 CCCE C[C@H]1[C@H](CN)CCN1C(=O)c1cccc(O)c1O 385930313 USXPAIHCEIEKRN-IUCAKERBSA-N 250.298 0.907 10 10 CCCE CO[C@@H]1CS(=O)(=O)C[C@@H]1N(C)c1ccc(N)cc1 696812220 CMDNXJFLWIIXFM-NWDGAFQWSA-N 270.354 0.517 10 10 CCCE C[C@H](O)C1CN(C(=O)CCOc2ccc(N)cc2)C1 719791634 GVGUXCBSXMCNNO-JTQLQIEISA-N 264.325 0.877 10 10 CCCE NCc1ccc(N2CC[C@H](O)[C@H](CO)C2)c(F)c1 396902655 XREQPLGLYQFXPK-GWCFXTLKSA-N 254.305 0.464 10 10 CCCE Nc1ccc(NC(=O)N2CCNC[C@@H]2CO)cc1 2071559358 ZORDIZGFHRDMDA-LLVKDONJSA-N 250.302 0.067 10 10 CCCE C[C@@H]1CNC(=O)CN1c1cc2c(cc1Cl)[C@@H](O)C(=O)N2 2181168026 PYBFSYVMZQBICP-SREIQFSDSA-N 295.726 0.650 10 10 CCCE Nc1ccc(CCC(=O)N[C@H]2CCOC[C@H]2CO)cc1 2193258472 MMYMBDCKAYXYCC-OCCSQVGLSA-N 278.352 0.715 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CC[C@]12C[C@@H](CO)C2 2188868172 NCRNFBMMQAMFPQ-PWRNUNNXSA-N 279.292 0.790 10 10 CCCE C[C@H]1CN[C@H](C)CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2188925979 ZAHRZHMGVDOIJU-DTWKUNHWSA-N 280.324 0.873 10 10 CCCE CO[C@@H]1COC[C@@H]1CNC(=O)c1cc(O)c(O)c(O)c1 2188923945 NRKOQEOEYWPSNZ-GZMMTYOYSA-N 283.280 0.195 10 10 CCCE CC1(C)C(=O)NCCCN1C(=O)c1ccc(O)c(O)c1 2193689848 CFHCPJBMNLGQKG-UHFFFAOYSA-N 278.308 0.839 10 10 CCCE Nc1ccc(NC(=O)N2C[C@H]3COC[C@@H](C2)[C@@H]3O)cc1 2189048410 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Nc1ccc(NC(=O)CN2C[C@@H]3C[C@]3(CO)C2)cc1 2090115185 CNPLANUNLPXMNP-IINYFYTJSA-N 261.325 0.522 10 10 CCCE CN1CCCc2cc([C@H](N)c3nnn(C)n3)ccc21 2098405607 XPLPQZGATIKRCZ-LBPRGKRZSA-N 258.329 0.641 10 10 CCCE [N-]=[N+]=NCCN[C@@]1(C(N)=O)CCCO[C@@]12CCOC2 2098893509 NNFBOEZEIQMSIH-GHMZBOCLSA-N 269.305 0.080 10 10 CCCE [N-]=[N+]=N[C@H]1CCCN(C(=O)CCn2cnnn2)CC1 2099334301 VABIYBOLSQTWRH-VIFPVBQESA-N 264.293 0.755 10 10 CCCE NC[C@H](C(=O)C(=O)C[C@H]1C[C@H](N)C1)c1ccccc1 2112571523 QPILYVYAMJYNQX-DRZSPHRISA-N 260.337 0.995 10 10 CCCE O=C(N[C@@H]1C[C@]12C[C@H]2C(=O)O)c1cc(O)nc(O)c1 2268071362 VFTSSYJKNHCKST-KJNMHVQDSA-N 264.237 0.086 10 10 CCCE CN1[C@H](C(=O)O)CC[C@@H]1C(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-] 2234171820 OYESLQXBWMZOPU-JLIMGVALSA-N 281.316 0.881 10 10 CCCE Cn1nccc(NC(=O)CCc2ccc(N)cc2)c1=O 2235488903 QNARJINUHXCLCQ-UHFFFAOYSA-N 272.308 0.934 10 10 CCCE COc1ccc(N2CCC[C@@](O)(C(N)=O)C2)c(CO)c1 2235999565 KVMMDEGRGMKOQO-AWEZNQCLSA-N 280.324 0.004 10 10 CCCE Nc1ccc(N2C[C@@H]3[C@H]4C[C@@H]([C@H](O)[C@H]4O)[C@@H]3C2)cc1 2228722507 PAWNAIFGRUYWOT-JNWWKETESA-N 260.337 0.693 10 10 CCCE CN1CCc2cc(N3CCOC4(CNC4)C3)ccc21 2272812792 SAKJQZIOLQGSGK-UHFFFAOYSA-N 259.353 0.858 10 10 CCCE COCC(COC)ONC(=O)Nc1ccc(N)cc1 2268088535 OHOTTYPFRVWVCF-UHFFFAOYSA-N 269.301 0.983 10 10 CCCE COc1ccc(O)c([C@@H](C)N[C@@H]2CN(C)C[C@H]2O)c1 2296807423 OTLSVPKHBVOKDY-GAJTVXKRSA-N 266.341 0.726 10 10 CCCE Cc1cc(NS(=O)(=O)[C@H]2CC[C@@H]2N)ccc1O 2300756833 HBSIQINXXMEZMT-ONGXEEELSA-N 256.327 0.932 10 10 CCCE C[P@@]1(=O)C[C@@H](O)[C@H](NCc2cccc(O)c2O)C1 2310005976 SPBAFHAGMLSGQP-RRAIRTEYSA-N 271.253 0.923 10 10 CCCE Nc1ccc(NC(=O)CN2C[C@@H]3C[C@@H](O)[C@H]2C3)cc1 2330788459 MSRURGRDLBRHGP-ZWKOPEQDSA-N 261.325 0.662 10 10 CCCE NCc1ccc(N2C[C@H](O)C[C@@H]2CO)cc1C1CC1 2339145983 NBXJPTCNYABYRJ-ZIAGYGMSSA-N 262.353 0.955 10 10 CCCE CCNS(=O)(=O)NCCOc1ccc(N)cc1 126104253 RSNWQORAZQNDLJ-UHFFFAOYSA-N 259.331 0.092 10 10 CCCE C[C@H]1C[C@@H](CN)CN1C(=O)c1cccc(O)c1O 126725243 BZKVGJIKGRNSQN-IUCAKERBSA-N 250.298 0.907 10 10 CCCE CS(=O)(=O)Nc1ccc(NS(N)(=O)=O)cc1Cl 129020727 ICVITDUNNXZQSE-UHFFFAOYSA-N 299.761 0.327 10 10 CCCE C[C@@H](C(=O)O)n1c2c([nH]c1=S)CC[S@](=O)C2 75208596 OMCYTCPSADXJRV-RTACJLRHSA-N 260.340 0.996 10 10 CCCE COc1ccc2c(c1)[C@@]1(C)CN(C)C(=O)[C@]1(O)N2C 48533402 MLYAWYWMHFLNLT-ZIAGYGMSSA-N 262.309 0.563 10 10 CCCE CCCNC(=O)CNC(=O)c1ccc(O)c(O)c1 227014465 WQTGYYYGHFVUBP-UHFFFAOYSA-N 252.270 0.354 10 10 CCCE C[C@@H](CO)CNS(=O)(=O)Cc1ccc(N)cc1 86625856 XRVWZCTYRVUBHX-SECBINFHSA-N 258.343 0.317 10 10 CCCE C[C@H](N[C@H](C)c1ccc(O)cc1O)C(=O)N1CCOCC1 228096094 QIJZUYIHWPHOFP-MNOVXSKESA-N 294.351 0.996 10 10 CCCE COC(=O)[C@H]1CCN(C(=O)c2ccc(O)c(O)c2)C1 227019530 SPNQZPQKZWUNCO-VIFPVBQESA-N 265.265 0.733 10 10 CCCE O=C(O)C[C@H]1CCN1C(=O)c1cc(O)c(O)c(O)c1 2132348660 QBOLTYCBEJZPCY-SSDOTTSWSA-N 267.237 0.493 10 10 CCCE CN(C)C[C@H]1C[C@H](O)CN1c1ccc(CN)cc1F 97244493 MCAXBCZEUVWRNU-NEPJUHHUSA-N 267.348 0.786 10 10 CCCE C[C@@H](NC(=O)COc1ccc(N)cc1)c1nnc[nH]1 230415101 BYJMFKRWKKQTHB-MRVPVSSYSA-N 261.285 0.643 10 10 CCCE Cn1[nH]c(=O)c(=O)nc1SCc1ccc(N)cc1 236095174 QIJCLMLXJRXPRL-UHFFFAOYSA-N 264.310 0.343 10 10 CCCE Nc1ccc(OCCCN2C[C@H](O)[C@H](O)C2)cc1 236370797 BOONMSSSZNENAT-BETUJISGSA-N 252.314 0.075 10 10 CCCE CC1(C)CNCCN1C(=O)c1ccc(O)c(O)c1 232794273 ZZJZIVUXHIWILI-UHFFFAOYSA-N 250.298 0.922 10 10 CCCE CC1=NNC(=O)[C@H]1N=Nc1ccc(N)cc1C(=O)O 256009524 WQRZBPGAKFJRGU-VIFPVBQESA-N 261.241 0.925 10 10 CCCE C[C@@H](N)c1ccc(N2CCN(CCO)CC2)cc1O 93670548 OTKDDHGUPSNBCH-LLVKDONJSA-N 265.357 0.526 10 10 CCCE COC[C@@H](C(N)=O)N(C)Cc1cc(F)cc(C(C)=O)c1O 815135956 LFBQWVOWCHMXMQ-LBPRGKRZSA-N 298.314 0.666 10 10 CCCE CNC(=O)N1CCN(c2ccc(CN)c(F)c2)CC1 721782087 JQDUECXJOFTCBU-UHFFFAOYSA-N 266.320 0.746 10 10 CCCE C[C@@]1(C(N)=O)CCN(c2ccc3c(c2)NC(=O)[C@H]3N)C1 723150798 OGXOCJUSAVVVMW-SMDDNHRTSA-N 274.324 0.340 10 10 CCCE CN[C@@H](C)c1ccc(N(CC(N)=O)CC(N)=O)c(Cl)c1 723170422 FKZSIYFSRJTZJE-QMMMGPOBSA-N 298.774 0.397 10 10 CCCE CCN[C@@H]1CCCN(C(=O)c2cc(O)nc(O)c2)C1 721620418 APHYVVCYYZEAAW-SNVBAGLBSA-N 265.313 0.707 10 10 CCCE O=C(NCc1ccc(O)c(O)c1)C1CN([C@H]2CCOC2)C1 901133374 XCDMQLJEXQZPQV-LBPRGKRZSA-N 292.335 0.435 10 10 CCCE O=C(C[C@H]1CC(=O)N1)NCc1ccc2cccnc2c1O 862025849 BLECASYRJRDLBV-NSHDSACASA-N 285.303 0.835 10 10 CCCE CCOc1ccc(CN2C[C@@H](O)C[C@@H](O)C2)c(O)c1 769564946 QPIIRRXANCFHNJ-TXEJJXNPSA-N 267.325 0.718 10 10 CCCE COC(=O)N[C@@H](C)C(=O)N1Cc2cccc(O)c2C1 871203739 RIFMQVLVXKMROL-QMMMGPOBSA-N 264.281 0.979 10 10 CCCE C[C@H](CC(=O)N1Cc2cccc(O)c2C1)NC(N)=O 871204146 DIEKCLBVDZLVCS-MRVPVSSYSA-N 263.297 0.681 10 10 CCCE NC(=O)N[C@@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C1 1306817769 BZHNMONGTXSVKQ-ZCFIWIBFSA-N 283.259 0.120 10 10 CCCE COC[C@@]1(O)CCN(C(=O)Cc2ccc(O)c(O)c2)C1 1963773424 OYPLOZOKSNONNN-CQSZACIVSA-N 281.308 0.250 10 10 CCCE COc1ccc(N(C)C[C@@H](NC(C)=O)C(=O)O)cc1 81132924 XTCIPCHGPFQFQR-GFCCVEGCSA-N 266.297 0.721 10 10 CCCE COCCCNC(=O)[C@@H](N)c1ccc(O)c(O)c1 83398380 BKOJLQSWZHBYFV-NSHDSACASA-N 254.286 0.250 10 10 CCCE CC(C)(CO)c1nnc([C@H](N)c2cccc(O)c2O)o1 83588892 NKGSBJLGBBRRLF-SECBINFHSA-N 279.296 0.799 10 10 CCCE CC(C)CN(CC(N)=O)c1cc2c(cc1N)OCCO2 42691390 QBWSXFVVDSUBGW-UHFFFAOYSA-N 279.340 0.988 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)[C@H]1CCS(=O)(=O)C1 691687453 CPXWOQZAWLVCIN-IUCAKERBSA-N 272.330 0.722 10 10 CCCE O=C(N[C@@H]1C[C@H]2CN[C@@H](C2)C1)c1ccc(O)c(O)c1 709371584 PZWWVIHDKMMMNX-INTQDDNPSA-N 262.309 0.968 10 10 CCCE NC(=O)CC1CC(NCc2cccc(O)c2O)C1 718478460 SWDDQRVMAPKORN-UHFFFAOYSA-N 250.298 0.841 10 10 CCCE COc1ccc(N2CCN(CC[C@H](N)CO)CC2)cc1 70339696 YVMHVQNELAHKID-ZDUSSCGKSA-N 279.384 0.527 10 10 CCCE CN1CCN(c2ccc(CO)cc2Cl)[C@@H](CO)C1 699545339 ZCCSVTVFZKXABF-LLVKDONJSA-N 270.760 0.945 10 10 CCCE CN(CCc1nnn[nH]1)C(=O)CCc1ccc(N)cc1 95313887 KIJLTJBFNXQRLX-UHFFFAOYSA-N 274.328 0.416 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCN(CCC(=O)N2CCOCC2)C1 2117130561 ISZWCWJGTPVMMJ-NSHDSACASA-N 267.333 0.868 10 10 CCCE O=CN1CCC[C@H]1C(=O)NCc1c(O)cccc1O 1456323466 SFRUFEZJDRDLMF-JTQLQIEISA-N 264.281 0.335 10 10 CCCE O=S1(=O)C[C@H]2C(NCc3ccc4c(c3)CCO4)[C@@H]2C1 2118008490 CZYHWVBTTZOPHE-VXGBXAGGSA-N 279.361 0.754 10 10 CCCE CCOc1cccc([C@@H](NCCNC(C)=O)C(=O)O)c1O 211540736 YIWAMMWWKPBVHQ-GFCCVEGCSA-N 296.323 0.642 10 10 CCCE O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H]1CCCNC1=O 1542943361 ISRUJCBXUWLUCP-QZPNVGJNSA-N 290.319 0.753 10 10 CCCE C[C@@H](N)c1ccc(N2CC3(CNC(=O)N3C)C2)cc1 2121204881 BHEVEHJUBOQQIF-SNVBAGLBSA-N 260.341 0.920 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NN1CCOC1=O 1645478549 PCMIRMFHFQWORG-UHFFFAOYSA-N 252.226 0.124 10 10 CCCE CCCC[C@@H](NC(N)=O)C(=O)NCc1cc(O)ccc1O 1644752647 NTEYRHJLONIOMH-LLVKDONJSA-N 295.339 0.941 10 10 CCCE CN1C[C@H](O)C[C@@]1(C)C(=O)NCc1cc(O)ccc1O 1651225824 ZPIKVUMGACKPRC-RISCZKNCSA-N 280.324 0.169 10 10 CCCE [N-]=[N+]=N[C@@H]1CCN(CC(=O)NC[C@@H]2CCCO2)C1 1912182242 ZEFGGCYPEKOPIA-ZJUUUORDSA-N 253.306 0.666 10 10 CCCE CC1(C)OC(=O)C(=C/C=C2/C=CN=C3NCCN32)C(=O)O1 5303564 AQWKMOGRNZHLJT-OQFOIZHKSA-N 289.291 0.421 10 10 CCCE NCc1ccc(N2CC(c3nc(O)[nH]c3O)C2)cc1 2128515769 UWGVPPVVJQPPQF-UHFFFAOYSA-N 260.297 0.883 10 10 CCCE COc1ccc(N(C)[C@@H](CO)CCO)cc1OC 258736168 NIHLJGBHGIHICF-LLVKDONJSA-N 255.314 0.883 10 10 CCCE COc1ccc(N2CCN3CCOC[C@H]3C2)c(N)c1 2129372473 GREQECHQYDSEJG-LLVKDONJSA-N 263.341 0.798 10 10 CCCE Nc1ccc(OCCC(=O)N2C[C@@H]3COC[C@H]32)cc1 2129808340 JLKICFSTJUPFMH-ZWNOBZJWSA-N 262.309 0.895 10 10 CCCE COCCCNC(=O)[C@H](C)N1CC[C@H](N=[N+]=[N-])C1 1912206723 KYJJOOPVKUVWJH-UWVGGRQHSA-N 255.322 0.912 10 10 CCCE COc1cc(N2CC(OCCCO)C2)ccc1CO 2141979235 LUIJNCABDNZHKE-UHFFFAOYSA-N 267.325 0.775 10 10 CCCE N[C@H]1CCc2cc(N3CC[C@@H](O)C[C@H]3CO)ccc21 2136080025 INNUALSWWDMOIG-GUTXKFCHSA-N 262.353 0.955 10 10 CCCE C[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc(O)c(O)c1 227032716 ZGZCBTTTZNGVPS-QMMMGPOBSA-N 285.321 0.357 10 10 CCCE N[C@@H]1[C@@H]2CCCO[C@@H]2[C@@H]1NC(=O)c1cccc(O)c1O 228515833 JXNDIGWUZPZIOO-ODDDBGHMSA-N 278.308 0.332 10 10 CCCE CNCc1ccc(N2C[C@H]3C(C(N)=O)[C@@H]3C2)cc1C 2136602421 CYNARKSYGNTJFB-CHWSQXEVSA-N 259.353 0.882 10 10 CCCE NC(=O)[C@H]1[C@H]2CN(c3ccc4c(c3)CC[C@H]4N)C[C@H]21 2136602725 DSHOLQXUELJHPP-XJFOESAGSA-N 257.337 0.800 10 10 CCCE CN[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1 2151256010 XCQODNWADYYIRY-JGPRNRPPSA-N 277.324 0.848 10 10 CCCE O=C1C[C@H](NCc2c(O)cccc2Cl)C(=O)N1 1947010362 HROCQRYCIPSGBY-QMMMGPOBSA-N 254.673 0.550 10 10 CCCE COC(=O)[C@@H](N)CC(C)(C)c1cc(O)c(O)c(O)c1 1951962904 AZQYAHSVSKIKTQ-QMMMGPOBSA-N 269.297 0.971 10 10 CCCE C[C@@H](C(=O)Nc1ccc(N)cc1)N1CCOC[C@@H]1CO 168009619 XEGYSAVVJHQUMD-GWCFXTLKSA-N 279.340 0.289 10 10 CCCE CCOC(=O)CS(=O)(=O)CCOc1ccc(N)cc1 36337240 CQFNMIXWVLYFPR-UHFFFAOYSA-N 287.337 0.626 10 10 CCCE COC(=O)CCCNC(=O)COc1ccc(N)cc1 38055424 QLRKXJZGOMTQNQ-UHFFFAOYSA-N 266.297 0.717 10 10 CCCE CCO[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)CCC1=O 2146784552 UDBLQRGAGDARFH-SNVBAGLBSA-N 280.280 0.313 10 10 CCCE Nc1ccc(NC(=O)N2CCC([C@H](O)CO)CC2)cc1 2152470494 UYWPIFIDCHUYRN-CYBMUJFWSA-N 279.340 0.866 10 10 CCCE COc1cc2c(cc1OC)N(C[C@@H](O)CO)CC2 2026865685 IUZDOAACFLJKOZ-SNVBAGLBSA-N 253.298 0.420 10 10 CCCE CO[C@@H](C)[C@@H](N)C(=O)N(C)Cc1ccccc1O 2027485949 XXVMRMMBHPKEKB-JOYOIKCWSA-N 252.314 0.713 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3CC[C@H]3CO)c(Cl)cc21 2031691251 LCZKIIONJKAJTK-UPONEAKYSA-N 267.716 0.863 10 10 CCCE O=C(O)[C@@H]1CCN(C(=O)c2ccc(O)c(O)c2)O1 2035831302 LCCVMEOIOCMLLO-VIFPVBQESA-N 253.210 0.329 10 10 CCCE C[C@H](C1CNC1)N(C)C(=O)c1ccc(O)c(O)c1 2036982026 MCPAPRWVDKVKGI-MRVPVSSYSA-N 250.298 0.778 10 10 CCCE CCOC(=O)CNC(=O)N(C)c1ccc(N)cc1 2039299399 AXNDQYXDNHFADU-UHFFFAOYSA-N 251.286 0.978 10 10 CCCE CN(CCCO)CC(=O)N(C)c1ccc(N)cc1 310616316 GGIKVUFILZDTQB-UHFFFAOYSA-N 251.330 0.546 10 10 CCCE CNCc1ccc(N2CCC[C@](O)(CO)C2)cc1 313915139 USLPKLBOKPFNOC-CQSZACIVSA-N 250.342 0.730 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N3CCC[S@@](=O)CC3)cc21 322015293 OJKFDIAIQXUCQS-RNODOKPDSA-N 293.392 0.622 10 10 CCCE COCCNC(=O)NC(=O)CN(C)c1ccc(N)cc1 702076781 MWBXEZWVDREMCX-UHFFFAOYSA-N 280.328 0.177 10 10 CCCE Cn1cc(C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)n(C)c1=O 710420576 BQQXMCDPDIZRSZ-MRVPVSSYSA-N 264.289 0.639 10 10 CCCE O=C(CN1CCO[C@@H](CCO)C1)c1ccc(O)c(O)c1 2172868342 DQXBKVJCSRVJLG-NSHDSACASA-N 281.308 0.364 10 10 CCCE Nc1ccc(OCCC(=O)N[C@H]2COCC[C@H]2O)cc1 710869682 INOVLMZPJXDHAW-QWHCGFSZSA-N 280.324 0.304 10 10 CCCE Nc1ccc(N2CCN(C[C@@H]3COCCO3)C2=O)cc1 690819428 IFMSAXYREYXIDL-CYBMUJFWSA-N 277.324 0.926 10 10 CCCE CN1CC[C@H](N(C)c2ccc3c(c2)NC(=O)[C@@H]3N)C1 388776577 PTJDTAUUVSCYMY-GXFFZTMASA-N 260.341 0.779 10 10 CCCE O=C(CNCc1ccc(O)c(O)c1O)NCC(F)(F)F 393690335 MKDPYZZHBZGLTH-UHFFFAOYSA-N 294.229 0.572 10 10 CCCE Cc1cc(O)n2ncc(C(=O)N3CCCO[C@@H](C)C3)c2n1 2063455554 ZNNRMMVUFLXDHF-JTQLQIEISA-N 290.323 0.994 10 10 CCCE Nc1ccc(CC(=O)N2CCN(CCCO)CC2)cc1 2169926624 NRYSIUJOIGZFDX-UHFFFAOYSA-N 277.368 0.338 10 10 CCCE CC(C)CN(CC(N)=O)C(=O)c1cc(O)c(O)c(O)c1 2188867742 FYTTYGSIETULDY-UHFFFAOYSA-N 282.296 0.387 10 10 CCCE O=C(NC[C@H](O)CC(F)(F)F)c1cc(O)c(O)c(O)c1 2188867636 DNYVYLWQUDULBD-ZCFIWIBFSA-N 295.213 0.847 10 10 CCCE N[C@H]1C[C@H]2CC[C@H]1N(C(=O)c1cc(O)c(O)c(O)c1)C2 2188919084 KCBYGXSMDJTDOG-FKTZTGRPSA-N 278.308 0.755 10 10 CCCE C[C@H](O)[C@H]1CCCN1C[C@H](O)COc1ccc(N)cc1 2193597129 NZMSWJGSRHULMK-CORIIIEPSA-N 280.368 0.854 10 10 CCCE O=C(c1cccc(O)c1O)N1C[C@@H](CO)OCC12CC2 2183962828 KXGATYYQKWMEQC-VIFPVBQESA-N 279.292 0.464 10 10 CCCE C[C@H](O)c1ccc(N2CCNC(=O)[C@@H]2C(N)=O)c(Cl)c1 2184132648 QVBWGBSPZJFBFG-CPCISQLKSA-N 297.742 0.183 10 10 CCCE O[C@@H]1[C@H](O)C[C@H]2C[C@H]1N(c1ccc3c(c1)CC[C@H]3O)C2 2184736271 RDLYIVYCWIJLFD-VRSYBVEWSA-N 275.348 0.987 10 10 CCCE CC(F)(F)[C@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)O 2184805243 DVDUWJUQSZGWBX-SNVBAGLBSA-N 289.234 0.865 10 10 CCCE O=C1Nc2cc(N3C[C@@H]4CC[C@@]4(CO)C3)ccc2[C@@H]1O 2198863078 ABAFQTIMWJGIRL-FGEZKYSXSA-N 274.320 0.881 10 10 CCCE C[C@H](c1ccc(F)cc1O)N1C[C@@H](N)C[C@@H](O)C1 2049119951 JIRFJTPREPTUDI-DVVUODLYSA-N 254.305 0.986 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC[C@H]1C[C@@H]1CF 2191352015 BJNQYTZBLVSWSO-MXWKQRLJSA-N 282.315 0.689 10 10 CCCE COC1(CCN)CN(C(=O)COc2ccc(N)cc2)C1 2191670540 JIRXQZSRPWWXQG-UHFFFAOYSA-N 279.340 0.224 10 10 CCCE Nc1ccc(OCC(=O)NC[C@]2(F)CCCNC2)cc1 2191665035 CMQYZXMAUQXISD-AWEZNQCLSA-N 281.331 0.856 10 10 CCCE CNCCOCCN(C)C(=O)COc1ccc(N)cc1 2191712325 OLWKXBUGSCUTGR-UHFFFAOYSA-N 281.356 0.342 10 10 CCCE COC[C@H]1CNCCN1C(=O)CCc1ccc(N)cc1 2191707903 SIXISTZTWHAMSB-CQSZACIVSA-N 277.368 0.648 10 10 CCCE Nc1ccc(CC(=O)N2CCC(NCCO)CC2)cc1 2191732372 WGOVIQWRXJVRLX-UHFFFAOYSA-N 277.368 0.384 10 10 CCCE CS(=O)(=O)n1cc(COc2ccc(N)cc2)nn1 2058847912 LBCFRXIAFLLRIC-UHFFFAOYSA-N 268.298 0.247 10 10 CCCE CCOC(=O)[C@]1(NCCN=[N+]=[N-])COC2CC1C2 2063102278 SPAYNZFKJMEAAF-AMUVOQDHSA-N 254.290 0.997 10 10 CCCE C[C@H](NC(=O)COC1CNC1)c1ccccc1O 2072484585 BLGFZNXGLQENJL-VIFPVBQESA-N 250.298 0.558 10 10 CCCE COc1cccc(O)c1CNC1CN([C@@H](C)C(=O)O)C1 2188308814 RLZVGTMELZRQRH-VIFPVBQESA-N 280.324 0.648 10 10 CCCE O=S(=O)(Nc1ccc(O)cc1)c1cnn(CCO)c1 2101593794 QXDFXJWXRMFEIO-UHFFFAOYSA-N 283.309 0.382 10 10 CCCE O=S(=O)(Nc1ccc(O)c(F)c1)c1n[nH]cc1CO 2101565514 ZSYRMHHOVLZTRE-UHFFFAOYSA-N 287.272 0.548 10 10 CCCE NCc1cc(F)c(N2C[C@H](O)[C@@H]3COC[C@@H]32)c(F)c1 2102186310 FLGZBKMXUHYNGP-ZHAHWJHGSA-N 270.279 0.619 10 10 CCCE CCN1C[C@H](NCc2ccc3c(c2)CCO3)[C@H](O)C1 2104273109 DDPQSYGCRZNXKU-UONOGXRCSA-N 262.353 0.776 10 10 CCCE C[C@H](O)c1ccc(N2C[C@H]3C[C@H]2[C@H](O)[C@@H]3O)c(F)c1 2104411034 JZQWLPFGRLUBRV-YXJUAWEDSA-N 267.300 0.809 10 10 CCCE COc1cccc(O)c1CNCCN1CCOCC1 2104438432 MYUKPLASMOWLEL-UHFFFAOYSA-N 266.341 0.823 10 10 CCCE N[C@@H](c1nc(-c2ccc(O)c(O)c2)no1)C1COC1 2104900385 LUVDPNSRSJULHD-SNVBAGLBSA-N 263.253 0.794 10 10 CCCE CN1CC[C@@](O)([C@@H](N)c2ccc3c(c2)CCN3C)C1 2106850253 GTEXJOQDCSFDPV-GJZGRUSLSA-N 261.369 0.745 10 10 CCCE Oc1cccc(CN[C@@H]2C[C@H]3C[C@H]2[C@@H](O)[C@@H]3O)c1O 2110105723 MLGTUBNYUNDOAY-DRDKAZGBSA-N 265.309 0.318 10 10 CCCE COc1ccc(O)c([C@H](C)N[C@@H]2CN(C)C[C@@H]2O)c1 2090334216 OTLSVPKHBVOKDY-BHYNMZESSA-N 266.341 0.726 10 10 CCCE C[C@H]1C[C@@H]1N(CCO)C(=O)COc1ccc(N)cc1 2110787679 UNCNZVAJNNJVPI-GWCFXTLKSA-N 264.325 0.877 10 10 CCCE O=C(NC[C@]1(O)CCCOC1)c1cccc(O)c1O 2111796519 WUTYLZHDYNISFV-CYBMUJFWSA-N 267.281 0.369 10 10 CCCE CN(C(=O)CN1CC(CCO)C1)c1ccc(N)cc1 2095989546 UDSBDKGAGRPFEM-UHFFFAOYSA-N 263.341 0.546 10 10 CCCE CN1CCC(N)(CC(=O)C(=O)C[C@H]2C[C@H](N)C2)CC1 2112571559 RAJVOUIKHODCPZ-XYPYZODXSA-N 267.373 0.065 10 10 CCCE Cc1cc(CO)ccc1N1C[C@@H]2[C@H](CO)CO[C@H]2C1 2121596175 YJPLNDQLWFDNLM-NFAWXSAZSA-N 263.337 0.931 10 10 CCCE COc1ccc(N2C[C@@H](CO)[C@@H](CO)C2)cc1F 2219606422 ZCJHIUZZGMKBMZ-AOOOYVTPSA-N 255.289 0.871 10 10 CCCE CNC(=O)CCN(C)c1ccc(OC)cc1CN 2220413498 CYEDVKMLJHMBGI-UHFFFAOYSA-N 251.330 0.726 10 10 CCCE Cc1cc([C@@H](C)O)ccc1N1CC(O)(C(N)=O)C1 2223973280 MDXACMLKIXKBBO-SECBINFHSA-N 250.298 0.085 10 10 CCCE [N-]=[N+]=NCCCNC(=O)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 2225792158 KPAHIHLKJJEDOL-BGZDPUMWSA-N 266.257 0.457 10 10 CCCE Nc1ccc(OCCNC(=O)c2ccnnc2O)cc1 2238442739 BRJLUJUYPUEAEC-UHFFFAOYSA-N 274.280 0.573 10 10 CCCE [N-]=[N+]=NCCCCN1C[C@H]2[C@H](C1)[C@H]1C[C@H]2[C@H](O)[C@H]1O 2228744363 ZMCFYBBLKSJIHL-PTEOKISQSA-N 266.345 0.996 10 10 CCCE COC(=O)NC[C@H](C)NCc1ccc(O)c(O)c1 2258242745 GIYMCHSQESXGAA-QMMMGPOBSA-N 254.286 0.932 10 10 CCCE OC[C@H](O)[C@H]1CCN1c1ccc2c(c1)CCC[C@@H]2O 2270680581 NLIBWRZNWBPVEU-ILXRZTDVSA-N 263.337 0.988 10 10 CCCE Nc1ccc(CCN2C[C@@H]3OC[C@@H](CO)O[C@H]3C2)cc1 2279882525 QAOBOFVKMYYRLM-ILXRZTDVSA-N 278.352 0.272 10 10 CCCE Cc1cc(N2CCC(O)(C(N)=O)CC2)ccc1[C@@H](C)O 2285170426 HIBDJVWIWUMTDJ-LLVKDONJSA-N 278.352 0.865 10 10 CCCE COCCN1C(=O)NC(=O)C(=Cc2cccs2)C1=O 2297560217 AOCGBZAMIDZENI-UHFFFAOYSA-N 280.305 0.856 10 10 CCCE CCN(CCN=[N+]=[N-])C(=O)CCN1C(=O)CCC1=O 2337780184 WXCFLGXDONEVRC-UHFFFAOYSA-N 267.289 0.684 10 10 CCCE OCc1ccc(N2CC[C@@](O)(CO)C2)cc1C1CC1 2339163052 FPDQDQZAYOURSV-HNNXBMFYSA-N 263.337 0.990 10 10 CCCE CCNC(=O)CCN1CCc2cc(O)c(O)cc2C1 2341212879 BGAMILOMTNYDHW-UHFFFAOYSA-N 264.325 0.982 10 10 CCCE Oc1ccc(CNC[C@H]2C[C@@H]3C[C@H]2[C@@H](O)[C@H]3O)c(O)c1 2355455619 AQOZUCUTAPGYOY-DTFMEENKSA-N 279.336 0.565 10 10 CCCE Nc1ccc(OC[C@@H](O)CN2C[C@@H]3COCC[C@@H]32)cc1 2357225931 ZOTZLSMSMDUPCO-ZLDLUXBVSA-N 278.352 0.729 10 10 CCCE CO[C@@H](C)[C@H](CC(=O)O)NC(=O)c1cc(O)nc(O)c1 2165784088 YZSZPWVIBSSKEA-XPUUQOCRSA-N 284.268 0.101 10 10 CCCE COC[C@@]1([C@H](O)c2ccc(N(C)C)cc2)CNCCO1 2163071708 QRAQXIYIRVGWPU-HUUCEWRRSA-N 280.368 0.791 10 10 CCCE O=C(O)COn1c(=O)c(=O)oc2ccc(Cl)cc21 821296421 BXOLEWZHKMCBPN-UHFFFAOYSA-N 271.612 0.121 10 10 CCCE CC[C@H](NC(=O)Nc1ccc(N)cc1)C(=O)NC 697877335 GGDIVWLVRVEQGU-JTQLQIEISA-N 250.302 0.915 10 10 CCCE O=C1OC[C@]2(CNCc3ccccc3O)COCCN12 865770600 SVLGIBPCZQBITF-AWEZNQCLSA-N 278.308 0.703 10 10 CCCE Cc1ccc(C(=O)N2CCO[C@@H](CC(N)=O)C2)c(O)c1O 863485186 WBEVOPKQNRVVED-VIFPVBQESA-N 294.307 0.123 10 10 CCCE CCCOc1cc(N2C[C@@H](O)C[C@@H](N)C2)ccc1N 1876395462 KNWCFYFTSGKZQV-PWSUYJOCSA-N 265.357 0.956 10 10 CCCE Nc1ccc(CCC(=O)N2C[C@@H](N)C[C@@H](O)C2)cc1 1876437684 LONCFYPZAJYZSH-QWHCGFSZSA-N 263.341 0.122 10 10 CCCE C[C@@H](c1ccccc1O)N(C)[C@H]1CS(=O)(=O)C[C@@H]1O 1877533726 WWYLUXMFJGTHQE-GAFUQQFSSA-N 285.365 0.543 10 10 CCCE CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CC[C@@H](N=[N+]=[N-])C1 1885563501 VMBZQYXSRSHNEN-RKDXNWHRSA-N 299.331 0.783 10 10 CCCE Nc1ccc(OCCc2nnc3sc(N)nn23)cc1 98134453 XAEZMFGDVVDATJ-UHFFFAOYSA-N 276.325 0.972 10 10 CCCE CS(=O)(=O)NC1CCN(c2ccc(N)cc2)CC1 703016793 WQWSXIPKDVJUSO-UHFFFAOYSA-N 269.370 0.787 10 10 CCCE Nc1ccc(NC(=O)N2CCOC[C@@H]2CCO)cc1 694939691 PQZWYRAHYRWKCD-LBPRGKRZSA-N 265.313 0.884 10 10 CCCE C[C@H](c1ccccc1O)N(C)C(=O)[C@@H]1COCCN1 88371174 NUXAGCYJUJXJFD-PWSUYJOCSA-N 264.325 0.900 10 10 CCCE C[C@@H](N[C@H]1CC(=O)N(C)C1=O)c1cc(F)ccc1O 94618435 KZNDKCPJBWBGDH-XCBNKYQSSA-N 266.272 0.939 10 10 CCCE NC[C@H]1C[C@](F)(CNC(=O)c2cc(O)nc(O)c2)C1 2115644379 XLCSUWQBWYVKRF-OGXFKERWSA-N 269.276 0.300 10 10 CCCE CN1CCN(C)[C@@H](CNC(=O)c2c(F)ccc(O)c2O)C1 1457632622 ALMIFLUJKCFHHF-VIFPVBQESA-N 297.330 0.213 10 10 CCCE CNC[C@@H]1COCCN1c1ccc2c(c1)OCO2 214560804 JFQXIABYFUNNEO-LLVKDONJSA-N 250.298 0.840 10 10 CCCE COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2C[C@H]2C(N)=O)c1 1622779043 HYHAMIFFWKOQTQ-ONOSFVFSSA-N 278.308 0.699 10 10 CCCE CN(C(=O)CN(C)[C@H]1C[C@H](O)C1)c1ccc(N)cc1 2122885259 YTRFJWOFVHMEIF-JOCQHMNTSA-N 263.341 0.687 10 10 CCCE COCCNC(=O)NC(=O)CN1CCC(N=[N+]=[N-])CC1 1912183989 VUCZNBHZHFVKSU-UHFFFAOYSA-N 284.320 0.233 10 10 CCCE C[C@@H]1CNC[C@H](CNC(=O)c2cc(O)c(O)c(O)c2)C1 1219656922 FHGOFYNZTHGZMB-DTWKUNHWSA-N 280.324 0.779 10 10 CCCE CCNCc1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CF)cc1 2140667319 XDDUSCPHXKSTSP-MELADBBJSA-N 268.332 0.676 10 10 CCCE O=C(O)[C@]1(CO)CCCN1Cc1ccc(O)c(O)c1 2136349404 DLKKPRASNDFUSZ-CYBMUJFWSA-N 267.281 0.509 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3CCCNC(=O)C3)c(Cl)cc21 118706716 MCVVYIJOUIWWIB-GFCCVEGCSA-N 294.742 0.618 10 10 CCCE COCCOCCNC(=O)[C@@H]1CNc2ccccc2N1 229879930 HUZXCEPFIVIGKA-ZDUSSCGKSA-N 279.340 0.672 10 10 CCCE C[C@@H]1CCN(S(=O)(=O)Cc2ccc(N)cc2)C[C@@H]1O 230214329 AWGXIRVPQNTXEB-MFKMUULPSA-N 284.381 0.801 10 10 CCCE CO[C@@H]1COC[C@H]1N1CCN(c2ccc(N)cc2)CC1 2146756087 LNYVLSLXMQWPHK-HUUCEWRRSA-N 277.368 0.805 10 10 CCCE CCN[C@@H](C)[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)C1 2149424942 OVWSQGADDBSNFE-VHSXEESVSA-N 279.340 0.953 10 10 CCCE N[C@H](CC(=O)O)c1ccc(N2CCNC(=O)C2)cc1 258378742 ICSROGDWVQZZLG-LLVKDONJSA-N 263.297 0.097 10 10 CCCE CC(C)NC(=O)[C@H]1COCCN1c1ccc(CN)cc1 159330758 BGRZHJNVZXVLHN-CQSZACIVSA-N 277.368 0.875 10 10 CCCE O=C(NC[C@@]12CC[C@@H](C1)C(=O)N2)c1ccc(O)c(O)c1 2145542774 BRBSEQDACMNGFR-LKFCYVNXSA-N 276.292 0.496 10 10 CCCE CCN(CCO)C(=O)c1ccn(-c2ccc(N)cc2)n1 37899837 WEJFJXIRAVYDHS-UHFFFAOYSA-N 274.324 0.909 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC2(CSC2)C1 2146379219 MHIDHMIRCWNVLJ-JTQLQIEISA-N 294.376 0.543 10 10 CCCE OCc1cc(F)c(N2C[C@]3(CO)C[C@]3(CO)C2)c(F)c1 2146313366 JKMOKNXHBOMLKB-OKILXGFUSA-N 285.290 0.638 10 10 CCCE C[C@@H](O)c1ccc(N2CCN(CC(N)=O)CC2)cc1O 700784919 YRVPMHJDBOYJMY-SNVBAGLBSA-N 279.340 0.053 10 10 CCCE C[C@@H]1OCCO[C@H]1CNCc1cccc(O)c1O 2027192569 BPDJJDRUOUJRKC-CABZTGNLSA-N 253.298 0.991 10 10 CCCE CNCc1ccc(N(C)C2CS(=O)(=O)C2)c(F)c1 2034771361 FGOZEYRVVKLDRJ-UHFFFAOYSA-N 272.345 0.778 10 10 CCCE NCC12CC(CNC(=O)c3ccc(O)c(O)c3)(CO1)C2 2159556377 LFYYXTFGMCTOJG-UHFFFAOYSA-N 278.308 0.336 10 10 CCCE COCCNC(=O)CN1CCCc2cc(CN)ccc21 62801604 OZVZCXMCYGZKSJ-UHFFFAOYSA-N 277.368 0.661 10 10 CCCE COCCN1C[C@@H](O)[C@H](N(C)Cc2ccc(N)cc2)C1 2156948725 OSKBPBMQXCCHPK-HUUCEWRRSA-N 279.384 0.392 10 10 CCCE COC(=O)NS(=O)(=O)N1CCC[C@H](N=[N+]=[N-])CC1 2038001960 HZADZBWYMAPFRK-ZETCQYMHSA-N 277.306 0.752 10 10 CCCE COCCNCc1ccc(N(C)CCNC(C)=O)cc1 308128100 AIUIQLOGVJLZOR-UHFFFAOYSA-N 279.384 0.995 10 10 CCCE Nc1ccc(OCC(=O)N2CCC[S@@](=O)CC2)cc1 321575851 CPTMJMFFHHPKOA-LJQANCHMSA-N 282.365 0.629 10 10 CCCE Nc1ccc(OCC(=O)N[C@H]2CCC[C@H]2O)cc1 323792927 DCSJKECZPLTGRK-NWDGAFQWSA-N 250.298 0.677 10 10 CCCE Nc1ccc(OCCN2CC[C@@H](N3CC(O)C3)C2)cc1 2158750840 JCUWFVYRKQINMY-CYBMUJFWSA-N 277.368 0.398 10 10 CCCE CC(C)[C@H](NC(N)=O)C(=O)N1CCC[C@@H](N=[N+]=[N-])C1 701263643 HXBPBQBATZIMNT-BDAKNGLRSA-N 268.321 0.981 10 10 CCCE O=C(N[C@H](C(=O)O)C(F)(F)F)c1ccc(O)c(O)c1 706951379 ZPYADLSXSWBFOP-SSDOTTSWSA-N 279.170 0.843 10 10 CCCE O=C(NO[C@H](C(=O)O)C1CC1)c1cc(O)nc(O)c1 708955932 GMEJWXGHVXUPID-VIFPVBQESA-N 268.225 0.017 10 10 CCCE NC(=O)C[C@@H]1CCN(C(=O)COc2ccc(N)cc2)C1 690736443 ZQOIVFPNRKBOOG-JTQLQIEISA-N 277.324 0.372 10 10 CCCE C[C@@H](CN)N(C)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 382993411 FNEXUHWKVLSABK-ZETCQYMHSA-N 280.284 0.709 10 10 CCCE CN(C)C1CCC(NCCN=[N+]=[N-])(C(N)=O)CC1 715228228 MEOUMYKBCUOXHP-UHFFFAOYSA-N 254.338 0.615 10 10 CCCE NC(=O)C1(CNC(=O)CCOc2ccc(N)cc2)CC1 2177550220 HVWGJVWBSCCBLL-UHFFFAOYSA-N 277.324 0.419 10 10 CCCE CN1C[C@H](CNC(=O)c2cccc(O)c2O)CC1=O 723389055 SZLZSJWTLXUFQR-QMMMGPOBSA-N 264.281 0.306 10 10 CCCE C[C@@H](NCC(C)(CO)CO)c1c(O)cccc1O 393900002 HJLQUKBXSMPYLH-SECBINFHSA-N 255.314 0.739 10 10 CCCE C[C@]1(CO)CCN(c2ccc3c(c2)NC(=O)[C@H]3N)C1 394443877 DIDAYIBCIHMVIG-JSGCOSHPSA-N 261.325 0.847 10 10 CCCE C[C@@H](N)c1ccc(N2CC(N(C)C3COC3)C2)cc1O 2173098777 BAOYCSZWBDDROI-SNVBAGLBSA-N 277.368 0.931 10 10 CCCE NC[C@H]1C[C@H]2CC[C@H]1N2C(=O)Cc1ccc(O)c(O)c1 2174293007 FOPCYUCFAZRVCF-IJLUTSLNSA-N 276.336 0.979 10 10 CCCE COC1(CF)CN(C[C@@H](O)COc2ccc(N)cc2)C1 2168879107 IOPMLCSQRFZLLR-GFCCVEGCSA-N 284.331 0.679 10 10 CCCE C[C@H](N)c1ccc(N2CC[C@@H](C(CO)CO)C2)cc1O 2170675092 YRUJOVATFXRFEV-WDEREUQCSA-N 280.368 0.839 10 10 CCCE O=[N+]([O-])c1cc(N2CCO[C@H](CCO)C2)ccc1CO 2188572257 OZJNVNWAXUFHII-GFCCVEGCSA-N 282.296 0.675 10 10 CCCE CN(C[C@H](O)CN1CCc2cc(CN)ccc21)C1CC1 2189917579 ZXQRKSKUGSNJDB-HNNXBMFYSA-N 275.396 0.963 10 10 CCCE COc1cccc(O)c1CN[C@@H](C)CS(N)(=O)=O 2042581464 QJIBCRAZIRCREJ-QMMMGPOBSA-N 274.342 0.167 10 10 CCCE N[C@]1(c2nc(-c3ccc(O)c(O)c3)no2)C[C@H](CO)C1 2193930027 GUMDGSWKBKYSOV-PPRHIFSWSA-N 277.280 0.704 10 10 CCCE Nc1ccc(CC(=O)N2[C@H]3CC[C@H]2[C@@H](O)[C@H](O)C3)cc1 2190458448 NDPOICJKGDZIFF-RMRHIDDWSA-N 276.336 0.296 10 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BUPJACIYAFWNCI-WDEREUQCSA-N 264.281 0.721 10 10 CCCE C[C@H](NC1CN(S(C)(=O)=O)C1)c1cc(O)ccc1O 2089190938 SRFVYZGSOVEKPI-QMMMGPOBSA-N 286.353 0.392 10 10 CCCE NC(=O)[C@H]1CCN1c1cc2c(cc1Cl)[C@H](N)C(=O)N2 2089365767 NABIESFHGWOGAV-SCZZXKLOSA-N 280.715 0.356 10 10 CCCE C[C@H]1CN(Cc2ccc(O)cc2O)[C@H](C(=O)O)CO1 2109525299 NTXGAPMVLNLOGF-KWQFWETISA-N 267.281 0.772 10 10 CCCE NCc1ccc(N2CCOC[C@H]2[C@H](O)CO)cc1Cl 2090135165 DCJATPZZGPTLKW-QWHCGFSZSA-N 286.759 0.357 10 10 CCCE COc1cc(C(=O)N[C@H]2CN[C@H](C)C2)cc(OC)n1 2110622512 OEZLCXRHVTWEIG-PSASIEDQSA-N 265.313 0.579 10 10 CCCE CN(C)[C@H]1CN(CCCc2ccc(N)cc2)C[C@@H]1O 2090609065 CSCDIZGASHSUDP-GJZGRUSLSA-N 263.385 0.808 10 10 CCCE C[C@@H](NCCc1ccc(O)c(O)c1)[C@@H]1CNCCO1 2091758621 HEVWGVDNBQMVKF-YGRLFVJLSA-N 266.341 0.607 10 10 CCCE Cc1cc(Cn2ccc3c(c2=O)CNCC3)n(C)n1 2094407857 VDOBIHDXILSAGO-UHFFFAOYSA-N 258.325 0.584 10 10 CCCE Oc1cccc(-c2nc(Cn3nccn3)no2)c1O 2096843272 JPZALVMDEFYTKH-UHFFFAOYSA-N 259.225 0.788 10 10 CCCE 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0.678 10 10 CCCE C[C@H]1CNC[C@@H](NC(=O)Cc2ccc(O)c(O)c2)C1 1922779935 RRDDCOXUWBAJKE-KOLCDFICSA-N 264.325 0.755 10 10 CCCE CN(C)C[C@H]1C[C@H](O)CN1C(=O)c1ccc(O)c(O)c1 234272130 YHEMSRHOAGWGEY-MNOVXSKESA-N 280.324 0.235 10 10 CCCE C[C@H]1CCN(c2ccc(CO)cc2[N+](=O)[O-])[C@@H]1C(N)=O 2146450395 DWCWYPUFXCNIJR-UFBFGSQYSA-N 279.296 0.787 10 10 CCCE COC(=O)[C@@H]1CNC[C@@H]1c1cc(O)c(O)c(O)c1 1951593670 VYBCNRQKDHIIRQ-HTQZYQBOSA-N 253.254 0.279 10 10 CCCE C[C@@H]1NCCN(C(=O)Cc2ccc(O)c(O)c2)[C@H]1C 1971297221 HZFPYVJAAFMDNH-UWVGGRQHSA-N 264.325 0.849 10 10 CCCE Cn1cnc(CNC(=O)[C@H]2CNc3ccccc3N2)c1 2144314312 GHYJGCIMTPCBBX-CYBMUJFWSA-N 271.324 0.943 10 10 CCCE O=[N+]([O-])c1cc2c(cc1N1CCN[C@@H]3C[C@H]31)OCCO2 2152158569 JOFMKSLVKPLBBG-RKDXNWHRSA-N 277.280 0.917 10 10 CCCE CN1CC[C@H](NC(=O)CCOc2ccc(N)cc2)C1 49083203 AOSWGALLZHSZKA-LBPRGKRZSA-N 263.341 0.858 10 10 CCCE [N-]=[N+]=NCCCNC1(C(N)=O)C[C@@H]2COC[C@H]2C1 2038593645 KIFKHSCVSVETOT-RKDXNWHRSA-N 253.306 0.557 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3[C@H]4CC[C@H]3[C@H](CO)C4)ccc21 2157228901 BODSFQGQQPFPFQ-LBLXLQPISA-N 273.336 0.988 10 10 CCCE CO[C@@H]1COCC[C@@H]1NCc1ccc(O)cc1O 310847660 LRNYIFWHJSIWLR-WCQYABFASA-N 253.298 0.991 10 10 CCCE CO[C@@H]1C[C@@H](CO)N(C(=O)Nc2ccc(N)cc2)C1 311688469 RXPDGIGFQHLTIY-NWDGAFQWSA-N 265.313 0.882 10 10 CCCE Cc1nnc(CNC(=O)COc2ccc(N)cc2)o1 718865707 IGQDRVODVCOVQF-UHFFFAOYSA-N 262.269 0.655 10 10 CCCE Nc1ccc(OCCS(=O)(=O)N2C[C@H]3C[C@H]2CO3)cc1 387348116 XRFBVPLMFUTMGJ-WCQYABFASA-N 298.364 0.451 10 10 CCCE C[C@@H]1NC(=O)CC[C@H]1NC(=O)Cc1ccc(N)cc1 392895604 CQBNFEATDXBOSL-JOYOIKCWSA-N 261.325 0.595 10 10 CCCE Nc1ccc(NC(=O)N2CC[C@@H](O)[C@@H](CO)C2)cc1 396849365 JTEPFBQVNBWCMP-BXKDBHETSA-N 265.313 0.476 10 10 CCCE CN1CCC[C@H](C(=O)NCc2c(O)cc(O)cc2O)C1 2063631260 HGVSFHWGAAITLY-VIFPVBQESA-N 280.324 0.761 10 10 CCCE Nc1ccc(NC(=O)N2CCN(CCCO)CC2)cc1 2169924806 MCLLCUAESKGUNK-UHFFFAOYSA-N 278.356 0.801 10 10 CCCE CN(C)C[C@H]1CN(C(=O)c2ccc(O)c(O)c2)CCO1 2170338951 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Nc1ccc(OCC(=O)N2CCC[C@H]3CNC[C@@H]32)cc1 2191729648 HFDQQWCQHUHWKC-FZMZJTMJSA-N 275.352 0.858 10 10 CCCE CSc1nc(-c2cc(O)c(O)c(O)c2)nc(=N)[nH]1 2068620603 ISJXCSUZSYSKFD-UHFFFAOYSA-N 266.282 0.790 10 10 CCCE COC[C@H](ON)C(=O)N[C@H](C)c1ccccc1O 2072484630 QHOBOLMDQVLUTH-KCJUWKMLSA-N 254.286 0.475 10 10 CCCE N[C@@H]1CCSC[C@@H]1NC(=O)c1cc(O)nc(O)c1 2077575893 VXNCIUIMMPEEMT-SFYZADRCSA-N 269.326 0.055 10 10 CCCE N[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)C[C@@H]1C(F)F 2102482860 XMWCGKFKWDKDCL-NKWVEPMBSA-N 273.239 0.157 10 10 CCCE C[C@@H](N)[C@@]1(C)CCN1C(=O)Cc1ccc(O)c(O)c1 2107319859 IXXCSWMKTYZCME-YMTOWFKASA-N 264.325 0.979 10 10 CCCE COC[C@H]1CNCCN1C(=O)c1ccc(O)c(O)c1 2088493513 DWOJAZSNPZZQIA-SNVBAGLBSA-N 266.297 0.158 10 10 CCCE O=C1CN(C(=O)c2ccc(O)c(O)c2)[C@@H]2CC[C@@H]2N1 2112063180 VLFKQRZXWJTHOE-DTWKUNHWSA-N 262.265 0.201 10 10 CCCE CCCCN(CC(=O)O)C(=O)c1cc(O)nc(O)c1 2095209542 KELARZZBZIUIDP-UHFFFAOYSA-N 268.269 0.820 10 10 CCCE CO[C@@H]1CS(=O)(=O)C[C@@H]1N1CCC[C@@H](N=[N+]=[N-])CC1 2099339280 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271.288 0.584 10 10 CCCE COc1ccc(N2C[C@@H]3C(C(N)=O)[C@H]3C2)c(C=O)c1 2227694630 IZOAHBHVNLOGET-QWRGUYRKSA-N 260.293 0.675 10 10 CCCE Cc1cc([C@H](C)N)ccc1N1CC2(C1)OC[C@@H](O)[C@@H]2O 2240829499 MJIKWCYGUFGBFZ-GDLCADMTSA-N 278.352 0.326 10 10 CCCE C[C@@H](N)c1ccc2c(c1)CCCN2CCOCC(N)=O 2241012969 CKYQFDLGTLXNMP-LLVKDONJSA-N 277.368 0.961 10 10 CCCE CSc1ncc(CNC(=O)[C@@H]2CC[C@H](O)CN2)s1 2257010290 AMLRBYBXHFPHEM-CBAPKCEASA-N 287.410 0.594 10 10 CCCE Cc1cc(N2C[C@@H](O)C[C@H](O)C2)ccc1[C@H](C)O 2257471525 PKCLKMNDQXTUIF-DRZSPHRISA-N 251.326 0.980 10 10 CCCE COCC[C@H](N)C(=O)NCc1cnc(SC)s1 2248611665 OVSFYHIILNOOLX-QMMMGPOBSA-N 275.399 0.845 10 10 CCCE C[C@H](NC(=O)CN[C@H]1CCOC1)c1ccccc1O 2272592272 ZKVXVDUABKLZSF-QWRGUYRKSA-N 264.325 0.948 10 10 CCCE CN(C)CCCN(CCN)Cc1ccc(O)cc1O 2265840151 ZKZMKLQQGDSOOT-UHFFFAOYSA-N 267.373 0.810 10 10 CCCE COc1ccc(N2C[C@@H](N)C[C@@H](C(N)=O)C2)c(C)c1C 2284595153 AGCDMFJAIKOUCW-NEPJUHHUSA-N 277.368 0.951 10 10 CCCE N[C@]1(C(=O)NCc2ccccc2O)C[C@H]2OCCC[C@H]21 2288400455 KBKRZXLFBBFWEQ-UXIGCNINSA-N 276.336 0.905 10 10 CCCE CSc1ncc(CNC(=O)CCNCCCO)s1 2319851253 GVJGZQMPMDAPGZ-UHFFFAOYSA-N 289.426 0.843 10 10 CCCE CSCCN(CC(N)=O)Cc1ccc(N)cc1 228650175 XXDBTVAFZORYMT-UHFFFAOYSA-N 253.371 0.919 10 10 CCCE CCCNCc1ccc(N(CC(N)=O)CC(N)=O)c(C)c1 61808261 ZRMRLRLWTNQCGB-UHFFFAOYSA-N 292.383 0.272 10 10 CCCE CN(C)CCCN(CC(N)=O)Cc1ccc(N)cc1 122161662 ZUUXLSCIJONHLE-UHFFFAOYSA-N 264.373 0.508 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N(CCO)CC(F)(F)F 1148587048 BKUFPEGZODXOIR-UHFFFAOYSA-N 295.213 0.800 10 10 CCCE C[C@@H](CCN(C)C)NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 49559708 QBRRPRBWVKNTAG-JQWIXIFHSA-N 295.383 0.424 10 10 CCCE C[C@@H](NC(=O)/C=C/c1ccc(N(C)C)cc1)C(N)=O 41843238 NSYMAVKZGOSXGQ-OLKPEBQYSA-N 261.325 0.756 10 10 CCCE COc1ccc(N(CCCN)C[C@H](O)CO)cc1 130549717 JYEZPWUOEXSYDV-LBPRGKRZSA-N 254.330 0.204 10 10 CCCE CC(C)[C@H](Nc1c(N)cccc1C(N)=O)C(N)=O 231060364 SRKHCVTYPYBHMI-VIFPVBQESA-N 250.302 0.290 10 10 CCCE Cc1cc(NS(=O)(=O)N2CCNCC2)ccc1O 148643305 JYUKHJDUYMJBNL-UHFFFAOYSA-N 271.342 0.263 10 10 CCCE COc1ccc2c(c1)C(=O)N[C@@H](C(=O)O)CN2C 527430529 SPGWBCNCOSHUPD-SECBINFHSA-N 250.254 0.328 10 10 CCCE CN(C)c1ccc(CNC(=O)[C@H]2CNCCOC2)cc1 700527305 IXMIRVAPSLZUAU-ZDUSSCGKSA-N 277.368 0.605 10 10 CCCE COc1cccc(C(=O)OCC(=O)C(C)=O)c1[N+](=O)[O-] 808543746 ZVMAPQDUPKIRHV-UHFFFAOYSA-N 281.220 0.918 10 10 CCCE CO[C@@H]1CN(CCOc2ccc(N)cc2)C[C@H]1O 396023260 WAAILAQDDQDYGQ-CHWSQXEVSA-N 252.314 0.339 10 10 CCCE [N-]=[N+]=NC[C@H]1CCN(C(=O)[C@H]2CCn3ncnc3C2)C1 2165278842 YBQOFOZAOCZWBJ-ZJUUUORDSA-N 275.316 0.999 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N3CC(C(N)=O)C3)c(Cl)cc21 723170788 IRQOIHLPBUNZIE-LLVKDONJSA-N 294.742 0.474 10 10 CCCE O=C(NC[C@@H]1C[C@@H]2COC[C@H]2O1)c1ccc(O)c(O)c1 724542326 PTMBTUIMNJTVQL-GBIKHYSHSA-N 279.292 0.632 10 10 CCCE CN(Cc1ccccc1O)S(=O)(=O)C[C@@H]1CCNC1 722274311 GLPKJKWUZDUEST-LLVKDONJSA-N 284.381 0.763 10 10 CCCE Oc1ccc(CNC[C@H]2C[C@@H]3COC[C@@H]3O2)cc1O 724564571 XSCNMMNCRNOQTJ-GYSYKLTISA-N 265.309 0.991 10 10 CCCE CCN(CC(=O)NC)c1cc2c(cc1Cl)[C@H](N)C(=O)N2 723192755 WJVSIMSCIXPGNO-LBPRGKRZSA-N 296.758 0.864 10 10 CCCE C[C@@H](NC(=O)NCc1c(O)cccc1F)C(=O)N(C)C 914169626 XTAACTYZDKPVSP-MRVPVSSYSA-N 283.303 0.807 10 10 CCCE Cc1ccc(O)c(CNC2CCN(S(N)(=O)=O)CC2)c1 698632411 BSGHBXZBFAZIKM-UHFFFAOYSA-N 299.396 0.458 10 10 CCCE CCn1c(CC(=O)O)cc(=O)n2nc(-c3cnccn3)cc12 71470250 VKIGMDDSFZOFSM-UHFFFAOYSA-N 299.290 0.600 10 10 CCCE Nc1ccc(OCCS(=O)(=O)N2CC[C@@H](N)C2)cc1 1876166029 VUBFSDGFWHOIDZ-LLVKDONJSA-N 285.369 0.010 10 10 CCCE COc1cccc(O)c1CN[C@H]1CCOC[C@H]1CO 1878774355 KBPPWHWSPNYZEC-PWSUYJOCSA-N 267.325 0.888 10 10 CCCE CC(C)(C)[C@H](CN)NC(=O)c1cc(O)nc(O)c1 394415579 KWQQOIWNIAARPW-QMMMGPOBSA-N 253.302 0.596 10 10 CCCE O=C(O)C[C@@H](O)[C@H]1NCCc2cc(O)c(O)cc21 83724682 HSIGZUMXDGFIIH-PWSUYJOCSA-N 253.254 0.120 10 10 CCCE CN(C[C@@H]1CCCS1(=O)=O)C(=O)c1cccc(O)c1O 694492083 BHYDTJNZDWNBGB-VIFPVBQESA-N 299.348 0.747 10 10 CCCE C[C@H](N)c1ccc(N2C[C@@H](O)C[C@H]2CO)c(F)c1 698229320 QSRWYDNCFQJZGH-LSJOCFKGSA-N 254.305 0.777 10 10 CCCE Nc1ccc(OC[C@H](O)CN2CC3(CCO3)C2)cc1 2115261583 KOPMYRHBSTUTHQ-GFCCVEGCSA-N 264.325 0.483 10 10 CCCE CC(C)(O)[C@@]1(C)NC(=O)N(c2ccc(N)cc2)C1=O 2121852361 QZXKSYPFWFEKSP-ZDUSSCGKSA-N 263.297 0.855 10 10 CCCE O=C(CN1CCOCC1)NCc1cc(O)ccc1O 1644753749 IEKLDDLAKSKNRY-UHFFFAOYSA-N 266.297 0.046 10 10 CCCE CN(CCCN=[N+]=[N-])CCN1C(=O)NC(C)(C)C1=O 1912160132 QUSRWAXPWUIJPP-UHFFFAOYSA-N 268.321 0.949 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CCC=C[C@@H]2CO)cc1 2125930772 BIPPMJNIGHAVOU-CYBMUJFWSA-N 282.365 0.721 10 10 CCCE Nc1ccc(CCN2C[C@@H]3C[C@H](C2)[C@@H](O)[C@@H]3O)cc1 2126162785 VTTYHGXGKDIDTJ-AYRXBEOTSA-N 262.353 0.485 10 10 CCCE N[C@@H]1CC(C(=O)N(CCO)c2ccccc2)=C[C@@H]1O 2131466306 PXTQZVKARCASJE-OLZOCXBDSA-N 262.309 0.030 10 10 CCCE COC(=O)[C@]1(NCCN=[N+]=[N-])C[C@@H]2[C@H]3CC[C@@H](O3)[C@H]21 2132130681 HZGUNAKUBRQSQE-OMHSBUABSA-N 266.301 0.995 10 10 CCCE Cc1nc(O)nc(O)c1CCC(=O)N1CC(N=[N+]=[N-])C1 1912190182 ACWPKMJJIYAMKV-UHFFFAOYSA-N 278.272 0.650 10 10 CCCE COc1cc(N2CC[C@@H](C)[C@H]2C(N)=O)ccc1CO 2139701682 DKYVANNAYFTRAT-RNCFNFMXSA-N 264.325 0.888 10 10 CCCE Cc1cccc(CNC(=O)COC2(C)CNC2)c1O 2139762347 QTQRMATXZDUGPL-UHFFFAOYSA-N 264.325 0.695 10 10 CCCE Nc1ccc(CCN2C[C@H]3C[C@@H](C2=O)S3(=O)=O)cc1 218834324 DNGFKKAKKRUZAK-NEPJUHHUSA-N 280.349 0.209 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N(C)C3CC(O)C3)cc21 1914597098 WSPCXZLKFUQDIC-ZPPKWKGLSA-N 261.325 0.622 10 10 CCCE C[C@]1(NCc2ccc(F)cc2O)CCC(=O)NC1=O 2139884657 IRTFAARIKFJPKF-ZDUSSCGKSA-N 266.272 0.816 10 10 CCCE CN(c1c(F)cc(CO)cc1F)[C@H]1CCNC1=O 1916795832 UXXXKUAQYFTOEF-JTQLQIEISA-N 256.252 0.782 10 10 CCCE C[C@@H](CS(C)(=O)=O)NCc1ccc(O)c(O)c1O 226755247 ZZJHIOROLWXYEP-ZETCQYMHSA-N 275.326 0.326 10 10 CCCE C[C@@H](c1c(O)cccc1O)N1C[C@@H](O)C[C@@H]1C(=O)O 2136120139 FYKGNTADGXDALT-XHNCKOQMSA-N 267.281 0.679 10 10 CCCE CN1CCc2cc(CNC[C@@]3(O)CCOC3)ccc21 229636437 JMSGJXBZGNQHSG-HNNXBMFYSA-N 262.353 0.920 10 10 CCCE C[C@H](N)c1ccc(N2CCOC[C@@H]2[C@@H](O)CO)c(F)c1 2146330343 XKUWUIFVHNVMFH-FZZIBODNSA-N 284.331 0.404 10 10 CCCE O=C(NCCOC1CCNCC1)c1ccc(O)c(O)c1 236560612 HBVZBHVVAJGVJB-UHFFFAOYSA-N 280.324 0.596 10 10 CCCE COc1cccc(CN2C[C@@H](O)C[C@@H](N)C2)c1O 1971880289 KTSSZAVDPGGLCR-MNOVXSKESA-N 252.314 0.295 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CC[C@@H]2CNC[C@H]21 1972327297 TYARIRTXBNWUSW-IJLUTSLNSA-N 276.336 0.755 10 10 CCCE C[C@H]1CNC[C@@H](CCNC(=O)Cc2ccc(N)cc2)O1 1972594661 ARCFADXURFEXSJ-SMDDNHRTSA-N 277.368 0.695 10 10 CCCE COC[C@@H](CC(=O)O)NC(=O)Cc1ccc(O)c(O)c1 2149268183 OQPUBGFAXAIIIJ-SECBINFHSA-N 283.280 0.246 10 10 CCCE CN(CC(=O)NC1CC1)S(=O)(=O)Cc1ccc(N)cc1 36128279 MHVFQJDOPOOYSP-UHFFFAOYSA-N 297.380 0.309 10 10 CCCE N=c1nc(C(=O)NCCc2ccc(O)c(O)c2)cc[nH]1 2147998083 XJXANQXKDQGKHJ-UHFFFAOYSA-N 274.280 0.273 10 10 CCCE COc1ccc(O)c([C@H](C)NN2CCNCC2)c1 2028917320 AGXYIKSUJGYOOB-JTQLQIEISA-N 251.330 0.872 10 10 CCCE Cn1nnc(C(=O)N2CCC[C@H](N=[N+]=[N-])CC2)n1 2038000805 UZWHZQVEBXTQAU-ZETCQYMHSA-N 250.266 0.515 10 10 CCCE CO[C@@]1(CO)CCN(c2ccc(CN)cc2F)C1 402946970 PKAAAAFKRVFTEE-ZDUSSCGKSA-N 254.305 0.872 10 10 CCCE COC(=O)[C@@H](C)NC(=O)NCCc1ccc(O)c(O)c1 2157022069 PSFQYFJNHDCLAY-MRVPVSSYSA-N 282.296 0.501 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CC(F)(F)C[C@H]3CO)ccc21 2159051616 ZJGMZNAZBQKDLM-KWQFWETISA-N 283.278 0.845 10 10 CCCE Nc1ccc(CC(=O)N[C@H]2COCC[C@@H]2C(=O)O)cc1 2159038064 WXQQJUDBBFUGCF-RYUDHWBXSA-N 278.308 0.417 10 10 CCCE CN1CCN([C@@H](Cc2ccc(O)c(O)c2)C(=O)O)C1=O 704343773 YKRHDKRLQAQQCI-VIFPVBQESA-N 280.280 0.461 10 10 CCCE COc1cc(Cl)cc(CN[C@H](C)[C@H](O)CO)c1O 705077229 UGZMYSGXOOMZCB-GMSGAONNSA-N 275.732 0.886 10 10 CCCE CNC[C@@H](O)CN(C)c1ccc(OC)cc1[N+](=O)[O-] 708887537 GDLXIPNJAOSXHD-SECBINFHSA-N 269.301 0.620 10 10 CCCE C[C@H](NCC(C)(CO)CO)c1cc(O)ccc1O 393903622 INNLMSOCDSXGBX-VIFPVBQESA-N 255.314 0.739 10 10 CCCE CO[C@H]1COCC[C@H]1NCc1cccc(O)c1O 394087027 XDINSZVHFLIBNQ-PWSUYJOCSA-N 253.298 0.991 10 10 CCCE COc1ccc(O)c(CNC[C@H]2CN3CCN2CC3)c1 394691517 KOLVUQUYEVQLJN-ZDUSSCGKSA-N 277.368 0.490 10 10 CCCE CN1CCN(c2cc3c(cc2F)[C@H](O)C(=O)N3)[C@@H]2C[C@@H]21 2168392561 KENOEMCUGYOTOV-XQQFMLRXSA-N 277.299 0.704 10 10 CCCE Nc1ccc(CCCN2CC[C@@](CO)(C(=O)O)C2)cc1 2179714766 ZTXOEJLLVVHIFM-OAHLLOKOSA-N 278.352 0.970 10 10 CCCE O=C(NC1CN([C@@H]2CCOC2)C1)c1ccc(O)c(O)c1 2169251374 PELJTUXMBNDGPK-LLVKDONJSA-N 278.308 0.301 10 10 CCCE COC(=O)[C@]1(NCCCN=[N+]=[N-])CO[C@@]2(CCOC2)C1 2178944763 JXHIPNUPGZSKIV-NWDGAFQWSA-N 284.316 0.768 10 10 CCCE C[C@@H](C(=O)O)N1CC(N[C@H](C)c2ccc(O)cc2O)C1 2188303938 HIQAMQALVZLJKI-BDAKNGLRSA-N 280.324 0.906 10 10 CCCE OC[C@@H]1CCn2c(nnc2-c2cc(O)c(O)c(O)c2)C1 2188913742 VDAWZYBJXQRFTM-SSDOTTSWSA-N 277.280 0.617 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CC[C@@H]1c1ncon1 2188912352 JQUOPJRFZDXOOR-SSDOTTSWSA-N 277.236 0.774 10 10 CCCE Cn1cnc2cccc([C@@H](NCCN=[N+]=[N-])C(N)=O)c21 2184275619 KJHDOOQJJHQZCU-SNVBAGLBSA-N 273.300 1.000 10 10 CCCE C[C@@H]1C(=O)NC(=O)CN1c1ccc2c(c1)CCC[C@H]2O 2184688842 IKLJJBJGVGAGJL-NOZJJQNGSA-N 274.320 0.908 10 10 CCCE COC(=O)[C@@H](N)CNCc1ccc(N(C)C)cc1 2042326458 RKAFRDUZHRQIBX-LBPRGKRZSA-N 251.330 0.343 10 10 CCCE CC[C@@H]1C(=O)NC(=O)CN1c1ccc2c(c1)CC[C@@H]2N 2184731071 CQBVGSPIUGIWCQ-QWHCGFSZSA-N 273.336 0.874 10 10 CCCE CCN(c1ccc(CN)c(F)c1)[C@@H]1CCNC1=O 2051529482 CJJUYQAXPYQKRL-GFCCVEGCSA-N 251.305 0.999 10 10 CCCE CS(=O)(=O)N1CC[C@H](N2CCC[C@H]2CN=[N+]=[N-])C1 2059054078 SWSLSTOMKYXJHL-UWVGGRQHSA-N 273.362 0.795 10 10 CCCE C[C@@H](O)[C@@H]1CCN1c1cc2c(cc1N)OCCO2 2061817047 GYEFKZIZZAQNCR-SCZZXKLOSA-N 250.298 1.000 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@H]2CCNC3(CC3)C2)cc1 2191634130 KWJHRLRDTIBITL-CYBMUJFWSA-N 295.408 0.973 10 10 CCCE Nc1ccc(OCCC(=O)N2C[C@@H](N)C3(CC3)C2)cc1 2191712219 NCDLJZLVQNCMCG-CYBMUJFWSA-N 275.352 0.987 10 10 CCCE Nc1ccc(OCCS(=O)(=O)N2C[C@H]3C[C@@]3(N)C2)cc1 2191781583 ORGKGACFVQZVCV-ZWNOBZJWSA-N 297.380 0.010 10 10 CCCE COc1ccc(N2C[C@@H](O)C[C@H]2CN)cc1OC 2067382384 DCBIMVZGQHWZKT-QWRGUYRKSA-N 252.314 0.602 10 10 CCCE COc1ccc(O)c(CN2C[C@H](N)[C@H]3COC[C@@H]32)c1 2102139920 FNKWKUWTPJVWFX-AGIUHOORSA-N 264.325 0.559 10 10 CCCE NS(=O)(=O)CCCCNCc1ccc(F)cc1O 2084171754 ATGJZBNOAIZSIF-UHFFFAOYSA-N 276.333 0.690 10 10 CCCE COc1ccc(N2C[C@@H](C(N)=O)C[C@@H](N)C2)c(C)c1 2106382340 JRBJTRKSTQOBIV-WDEREUQCSA-N 263.341 0.643 10 10 CCCE Cc1cc(CN)ccc1N1C[C@H]2CS(=O)(=O)C[C@@H]2C1 2087857866 DWVQWAGCTFSQNU-STQMWFEESA-N 280.393 0.935 10 10 CCCE O=C1C[C@@H](Cn2ccc3c(c2=O)CNCC3)CCN1 2109217341 KVCQTLGTPBWORU-JTQLQIEISA-N 261.325 0.020 10 10 CCCE Nc1ccc(CCCN2C[C@H](CO)C[C@@H]2CO)cc1 2090622608 ZMRDVEYGTQUILJ-UKRRQHHQSA-N 264.369 0.877 10 10 CCCE O=C1Nc2cc(N3C[C@H](O)[C@@H](F)C3)c(Cl)cc2[C@H]1O 2092767530 HBSMYBDRZZWZME-BKDNQFJXSA-N 286.690 0.845 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)[C@@]2(C(F)(F)F)CCNC2)C1 2112571763 UZVGKJYEZOSOEK-SOCHQFKDSA-N 278.274 0.794 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@H]2C[C@]2(O)C1 2114556587 HQCDQOGGRZSQKL-HZMBPMFUSA-N 263.293 0.624 10 10 CCCE O=C(NCC[C@@]12CC[C@@H]1CNC2)c1cc(O)nc(O)c1 2205222390 LQODLPWMKTVNBC-QMTHXVAHSA-N 277.324 0.612 10 10 CCCE CN(C)C[C@H]1COC[C@H]1NCc1ccc(O)c(O)c1O 2206389355 BKIAGPBRKYZNLX-WDEREUQCSA-N 282.340 0.470 10 10 CCCE [N-]=[N+]=N[C@@H]1CCC[C@H]1NS(=O)(=O)N1CC[C@H](O)C1 2218746420 QJGSNOQQPDYCOY-DJLDLDEBSA-N 275.334 0.119 10 10 CCCE O=C(O)CS(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1 2220603787 CLCQFLQOIVXGSH-UHFFFAOYSA-N 276.226 0.127 10 10 CCCE Cc1cc([C@@H](C)O)ccc1N1CC(O)(C(N)=O)C1 2223977926 MDXACMLKIXKBBO-SECBINFHSA-N 250.298 0.085 10 10 CCCE Nc1ccc(OC[C@H](O)CN2C[C@H](O)C[C@@H](F)C2)cc1 2234679598 OINVIPFFSRZINL-RAIGVLPGSA-N 284.331 0.413 10 10 CCCE COc1ccc(N2CCN(C[C@@H](O)CO)CC2)c(C)c1 2235089001 HYEDFQBTWDTJOY-CYBMUJFWSA-N 280.368 0.479 10 10 CCCE CNCc1cc(OC)ccc1N1C[C@@H](O)[C@@H](O)C1(C)C 2235954542 NEPYCQYGBYFIAV-ZIAGYGMSSA-N 280.368 0.735 10 10 CCCE COc1ccc(N2C[C@@H]3C[C@H]2CN3C(N)=O)c(C=O)c1 2236002049 BGJMSSDWSBPNJX-QWRGUYRKSA-N 275.308 0.849 10 10 CCCE Cc1cccc(O)c1CN1C[C@@H]2CN[C@@H](CO)[C@H]2C1 2227319716 NCVHHBOGPJNYTB-UBHSHLNASA-N 262.353 0.713 10 10 CCCE COc1ccc(N2CC[C@H]2[C@@H](O)CO)c(OC)c1C 2278065834 OOAORDKGAPGIEI-JQWIXIFHSA-N 267.325 0.944 10 10 CCCE COc1c(F)cc(N2CC(=O)NC(=O)C2)cc1F 2256198687 VGDJFSGKPUEXMX-UHFFFAOYSA-N 256.208 0.436 10 10 CCCE COC(=O)[C@@](C)(O)CNCc1cnc(SC)s1 2248601566 OVWBSSDASPJNIS-JTQLQIEISA-N 276.383 0.879 10 10 CCCE OCc1ccc(N2C[C@@H]3OC[C@@H](CO)O[C@@H]3C2)cc1 2265018736 AYSAFVISNNPPES-HZSPNIEDSA-N 265.309 0.144 10 10 CCCE Nc1ccc(OCC(=O)N2CC[C@@]3(O)C[C@@H]3C2)cc1 2265191452 WQXLFEBICQFTBL-QMTHXVAHSA-N 262.309 0.631 10 10 CCCE Nc1ccc(OCCN2CCC[C@@H]3CNC(=O)[C@H]32)cc1 2279278409 XHLMLYDLYKKKMK-RISCZKNCSA-N 275.352 0.858 10 10 CCCE NCCOC1CCN(C(=O)c2cc(O)nc(O)c2)CC1 2281550952 DHOBPEAXLLFLCL-UHFFFAOYSA-N 281.312 0.073 10 10 CCCE c1cc(N2CCNCC2)ccc1CN[C@@H]1[C@H]2CCO[C@H]21 2286072384 BIJBMGULILUOFJ-BZUAXINKSA-N 273.380 0.973 10 10 CCCE C[C@]1(NC(=O)[C@@H]2CNc3ccccc3N2)CCNC1=O 2289014525 CDGAXOQKWKDNRE-FZMZJTMJSA-N 274.324 0.287 10 10 CCCE COC[C@@H]1C[C@H](CN)N(C(=O)Cc2ccc(N)cc2)C1 2289595196 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O=C(NCC12CC(CN1)C2)c1cc(O)c(O)c(O)c1 2132401023 QZLSIMBLMKAXAE-UHFFFAOYSA-N 264.281 0.285 10 10 CCCE NCC1(CNC(=O)c2cccc(O)c2O)CCOCC1 700931139 BMBZTMPOGVKQOK-UHFFFAOYSA-N 280.324 0.583 10 10 CCCE Nc1ccc(OCC(=O)N[C@@H]2CNCCSC2)cc1 1876449652 RMSQFGNUZLIYFA-LLVKDONJSA-N 281.381 0.469 10 10 CCCE C[C@@H]1C[C@@H](CNS(=O)(=O)Cc2ccc(N)cc2)CN1 1876403524 KKERZIPFAMVHJH-ZYHUDNBSSA-N 283.397 0.686 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CCC[C@@H](N)CC2)cc1 1876531359 MQXOUIGRMISHME-GFCCVEGCSA-N 283.397 0.912 10 10 CCCE CN1CC[C@H](CNCc2ccc(O)c(O)c2O)C1=O 1880929179 VKMAKOONTVNHET-SECBINFHSA-N 266.297 0.371 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@H]2C[C@]23CCOC3)cc1 1896386235 BBWGUBCLZPOYAW-STQMWFEESA-N 282.365 0.867 10 10 CCCE CC[C@H](CO)CNC(=O)Cc1ccc(O)c(O)c1 1963168062 PJZCHBVFNIWOGF-VIFPVBQESA-N 253.298 0.775 10 10 CCCE COc1cc2c(cc1OC)N(C[C@@H](O)CO)CCN2 76895161 GSMGJWRDBHNRGI-SECBINFHSA-N 268.313 0.289 10 10 CCCE CCOc1cccc([C@@H](N)C(=O)NC[C@@H](C)O)c1O 83497385 DQRHRCVYABWCCZ-LDYMZIIASA-N 268.313 0.288 10 10 CCCE C[C@@H]1COCCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 1329364474 FEHJDRUPEWJEPA-SNVBAGLBSA-N 290.319 0.482 10 10 CCCE Cc1cccc(N)c1NC1CCN(S(N)(=O)=O)CC1 698645688 CPXHEFMNAIZLDJ-UHFFFAOYSA-N 284.385 0.657 10 10 CCCE CN(Cc1ccc(N(C)C)cc1)Cc1nnn(C)n1 1964538873 VIBTVFGSSAVEPV-UHFFFAOYSA-N 260.345 0.908 10 10 CCCE C[C@@H](COCC(=O)O)NC(=O)c1ccc(O)c(O)c1 2117489002 FPWPKSPGGNYYSV-ZETCQYMHSA-N 269.253 0.317 10 10 CCCE CCCNC(=O)[C@@H](C)NC(=O)c1c(F)ccc(O)c1O 1611685751 ONQAXGHTXAVIGG-SSDOTTSWSA-N 284.287 0.881 10 10 CCCE C[P@]1(=O)C[C@@H](O)[C@@H](Nc2c(N)cccc2C(N)=O)C1 2121465228 HXWCEWAPXVEVFF-QHJCOXKOSA-N 283.268 0.516 10 10 CCCE CCn1cc(CC(=O)NCCc2ccc(O)c(O)c2)nn1 1630334577 BBBOGHIHPUDABB-UHFFFAOYSA-N 290.323 0.611 10 10 CCCE O=C(O)c1nsc(=NCCc2ccc(O)c(O)c2)[nH]1 2125895142 WBXZNGRENDWWKW-UHFFFAOYSA-N 281.293 0.724 10 10 CCCE O=C(O)C[C@@H](O)CNCc1ccc2c(c1)CCO2 258811285 OFSGNSFZSXHWIN-LLVKDONJSA-N 251.282 0.547 10 10 CCCE COc1ccc2c(c1)N[C@H](C)CN2C[C@@H](O)CO 251882843 UYFQWIYTRNQENS-NXEZZACHSA-N 252.314 0.669 10 10 CCCE Cn1cc(S(=O)(=O)N2CCC[C@H](N=[N+]=[N-])C2)nn1 1912207184 VXTAMSUILJULCN-ZETCQYMHSA-N 271.306 0.279 10 10 CCCE O=S(=O)(Nc1ccc(O)cc1F)N1CC[C@H](O)C1 1914123883 PMAPHPMQHFQLMZ-QMMMGPOBSA-N 276.289 0.255 10 10 CCCE O=C(O)[C@H]1C[C@@H](O)CCN1Cc1ccc(O)c(O)c1 2136392035 YTEXPXWGSXUSFZ-VHSXEESVSA-N 267.281 0.508 10 10 CCCE NC(=O)[C@@H]1CCCN(C(=O)c2ccc(O)c(O)c2)C1 226952738 DIZALUWSAGHCNF-SECBINFHSA-N 264.281 0.435 10 10 CCCE NC(=O)CN(C(=O)c1ccc(O)c(O)c1)C1CCCC1 227019228 GDCTUZVXZMNPBU-UHFFFAOYSA-N 278.308 0.968 10 10 CCCE C[C@@]1(O)CN(c2ccc3c(c2)CC[C@H]3O)CC[C@@H]1O 2136886105 LOEJVJGDIXRWMC-QLFBSQMISA-N 263.337 0.988 10 10 CCCE O=C(N[C@@H](CO)C[C@H]1CCCO1)c1ccc(O)c(O)c1 1926791727 NIZJROZFSVHPJE-GHMZBOCLSA-N 281.308 0.758 10 10 CCCE N[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)NCCc1ccc(O)c(O)c1 1968739107 LCZLXKJZLWZTTA-DDHJBXDOSA-N 276.336 0.740 10 10 CCCE CN(Cc1ccccc1O)C(=O)C1[C@H]2CS(=O)(=O)C[C@H]12 1968858070 WYVDSFGEZRRVRN-QWRGUYRKSA-N 295.360 0.641 10 10 CCCE C[C@@]1(NC(=O)Cc2ccc(O)c(O)c2)CCCNC1 1970952005 HBYPPVRZIDNQRS-CQSZACIVSA-N 264.325 0.899 10 10 CCCE Nc1ccc(CS(=O)(=O)NC[C@H]2[C@H]3COCC[C@@H]32)cc1 2150044758 FBIFYJMWNRFROC-MCIONIFRSA-N 296.392 0.971 10 10 CCCE O=C(NC1CC1)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 40529155 QIDDIGHUZLKBKD-SECBINFHSA-N 280.280 0.555 10 10 CCCE CC(C)S(=O)(=O)NC1CN(CCCN=[N+]=[N-])C1 2001157384 KARWEQGYTVDGQV-UHFFFAOYSA-N 261.351 0.699 10 10 CCCE Nc1ccc(CC(=O)NCCC(=O)N2CCCC2)cc1 40808109 DZJFFFCXFSYUFR-UHFFFAOYSA-N 275.352 0.940 10 10 CCCE CO[C@@H]1C[C@@H]1NS(=O)(=O)Cc1ccc(N)cc1 2014592982 CNVZQKSQWNTNHK-WDEREUQCSA-N 256.327 0.476 10 10 CCCE Nc1ccc(N2CCN(CCOCCO)CC2)cc1 58125309 IWRXPLMZAAUMSY-UHFFFAOYSA-N 265.357 0.400 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)OC1CNC1 2031072492 BGYXGLFDDUKDHP-UHFFFAOYSA-N 252.270 0.338 10 10 CCCE CN1CCN(C)[C@@H](C(=O)N(C)CCCN=[N+]=[N-])C1 2038242211 ASJVNAJLMJJLSZ-SNVBAGLBSA-N 254.338 0.391 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CCC(CCO)CC1 400994090 CVSGQVBUWWUDJK-UHFFFAOYSA-N 266.297 0.727 10 10 CCCE CO[C@H](CCNC(=O)Cc1ccc(N)cc1)C(=O)O 401468671 ZKXZWRXFZXNDNQ-LLVKDONJSA-N 266.297 0.417 10 10 CCCE Oc1ccc(-c2noc(C[C@@]3(O)CCNC3)n2)cc1O 2160875518 QNKKHDWTNYTHIW-ZDUSSCGKSA-N 277.280 0.415 10 10 CCCE Oc1cccc(-c2nc(CN3CCOCC3)no2)c1O 328139792 ZTSLGHFMLDXVIP-UHFFFAOYSA-N 277.280 0.980 10 10 CCCE [N-]=[N+]=NCCCCNC(=O)Cn1cc([N+](=O)[O-])cn1 701287229 UUNAMZHQGWCOHH-UHFFFAOYSA-N 267.249 0.998 10 10 CCCE Nc1ccc(CCC(=O)N[C@@H](C(=O)O)C2COC2)cc1 2161177777 OQETWESQMWTBOY-CYBMUJFWSA-N 278.308 0.417 10 10 CCCE CC(C)(CNS(C)(=O)=O)NCc1cccc(O)c1O 708256034 BPAUDJCSDCWKRX-UHFFFAOYSA-N 288.369 0.515 10 10 CCCE NC(=O)C[C@@H]1CCN(C(=O)Cc2ccc(N)cc2)C1 690711833 AKQZCNIXXVPGTG-NSHDSACASA-N 261.325 0.535 10 10 CCCE NC(=O)N1CCN(Cc2cc(N)ccc2O)CC1 721819970 RLCLQLWCFFMCIV-UHFFFAOYSA-N 250.302 0.171 10 10 CCCE CCCC1(O)CN(c2ccc3c(c2)NC(=O)[C@@H]3N)C1 383990387 OQOYMGVLWHZKLJ-GFCCVEGCSA-N 261.325 0.990 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3CC(=O)N[C@H](C)C3)ccc21 387226509 HUXVHOJXLYIHAI-OQPBUACISA-N 274.324 0.224 10 10 CCCE C[C@H]1COCCN(C[C@@H](O)COc2ccc(N)cc2)C1 399127085 PELXUUTUAMBKGJ-TZMCWYRMSA-N 280.368 0.977 10 10 CCCE CC(C)[C@@H](C(=O)O)[C@@H](C)NC(=O)c1cc(O)nc(O)c1 399417549 GPBNXFJVHMHFKI-RDDDGLTNSA-N 282.296 0.968 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3CC[C@H](OCCO)C3)ccc21 2165427689 SJYZCUQXAWZBTF-GXFFZTMASA-N 277.324 0.226 10 10 CCCE NCc1ccc(N2CCC[C@@]3(C2)NC(=O)NC3=O)cc1 2170623470 IDKIOPUWBMZNGO-AWEZNQCLSA-N 274.324 0.324 10 10 CCCE COC(=O)[C@H](C)NC(=O)NCc1ccccc1O 1190556997 CXJIYZFCCZLBMM-QMMMGPOBSA-N 252.270 0.753 10 10 CCCE O=C(N[C@@H]1C[C@H](CO)[C@@H]2C[C@@H]12)c1cc(O)c(O)c(O)c1 2188868912 YWFSHGXGQFZNNR-UTINFBMNSA-N 279.292 0.550 10 10 CCCE NC(=O)[C@H]1COCCN1c1ccc2c(c1)CCC[C@H]2O 2184690691 GFRNCPWRXBIFSX-ZIAGYGMSSA-N 276.336 0.747 10 10 CCCE NC(=O)[C@@]1(O)CCN(c2ccc3c(c2)CCC[C@H]3N)C1 2184688034 WNRGUFUIKKDUHW-UKRRQHHQSA-N 275.352 0.449 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@H]3CCC[C@]3(N)C2)cc1 2198076497 PJVBODGBOUURCV-OCCSQVGLSA-N 295.408 0.912 10 10 CCCE 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CNC(=O)C1(NCc2c(O)cccc2OC)CC1 2042580638 FJHVLLXBPIFXRJ-UHFFFAOYSA-N 250.298 0.769 10 10 CCCE C[C@@](O)(CCS(C)(=O)=O)[C@H](N)c1ccccc1O 2042648573 ZPLVACUKVKSJNC-VXGBXAGGSA-N 273.354 0.578 10 10 CCCE COc1cc(N)c(N2CC(CCN)(OC)C2)cc1OC 2191552224 KITFVVKTRXUHCR-UHFFFAOYSA-N 281.356 0.840 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@H]2C[C@H]3CNC[C@H]2C3)cc1 2191628960 GOKJUTWEPRNXGK-OUCADQQQSA-N 295.408 0.686 10 10 CCCE NC(=O)[C@H]1OCC[C@H]1NCc1c(O)cccc1F 2053777805 RVSQJZPBYLDJMT-KOLCDFICSA-N 254.261 0.264 10 10 CCCE CO[C@H]1COC[C@H]1Nc1c(N)cccc1C(N)=O 2057170170 UTXNMTPVFRGOHJ-ZJUUUORDSA-N 251.286 0.193 10 10 CCCE COc1ccc(N2CC[C@H](N)[C@@H](CO)C2)c(F)c1 2058546690 ZZBVGRFMHXLTBI-SKDRFNHKSA-N 254.305 0.980 10 10 CCCE C[C@@H](NC(=O)[C@H](N)Cc1cnc[nH]1)c1ccccc1O 2192629812 UJLNRCYKNDAYFF-BXKDBHETSA-N 274.324 0.863 10 10 CCCE CNCc1ccc(N(C)C[C@@]2(O)CCOC2)cc1 2066012942 RAOCJEGHRMYKFH-AWEZNQCLSA-N 250.342 0.994 10 10 CCCE Nc1ccc(O)c(CN2CCO[C@@H]3COC[C@H]32)c1 2072524255 BRFODUUOKFUNHJ-DGCLKSJQSA-N 250.298 0.574 10 10 CCCE OCc1cc(F)c(N2CCC2(CO)CO)c(F)c1 2073915223 UAWLWTIFAOWAKF-UHFFFAOYSA-N 259.252 0.391 10 10 CCCE COC[C@@](C)(CCN)NC(=O)c1cccc(O)c1O 2101719477 FZCFRVSJFPCBNZ-CYBMUJFWSA-N 268.313 0.582 10 10 CCCE O=C(N[C@@H]1CO[C@@H]2COC[C@@H]12)c1ccc(O)c(O)c1 2101872720 NELAONVAUHOZHG-YGOYTEALSA-N 265.265 0.241 10 10 CCCE C[C@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C[C@@H]1N 2087730487 ZACPYBOPTNFWBW-ONGXEEELSA-N 264.325 0.836 10 10 CCCE Nc1ccc(O)c(CN2C[C@@H]3CS(=O)(=O)C[C@H]3C2)c1 2087859410 AHYRESIIWKIESA-GHMZBOCLSA-N 282.365 0.451 10 10 CCCE COCCOC[C@@H](O)CN(C)Cc1ccc(N)cc1 2092477451 GFPQFSMEDCHVNL-AWEZNQCLSA-N 268.357 0.725 10 10 CCCE CNCc1ccc(N2C[C@H]3C[C@@]2(CO)CO3)c(F)c1 2094654270 VZYNPIXMKPZAKZ-BXUZGUMPSA-N 266.316 0.885 10 10 CCCE COc1ccc(N2CCC([C@@H](O)CO)CC2)c(N)c1 2096163438 LEQRUHISCHRRGL-AWEZNQCLSA-N 266.341 0.847 10 10 CCCE CN[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H](C)C1 2115367142 SFHUAXVQSNGZKE-WPRPVWTQSA-N 265.313 0.705 10 10 CCCE C[C@H](O)c1ccc(N2CCN(C)C[C@H]2CCO)cc1O 2202812773 QDFQBLFZQNVQII-WCQYABFASA-N 280.368 0.948 10 10 CCCE Cc1cccc(CNC(=O)CN2CCCNCC2)c1O 2204609487 HIYVCMYUSPECHJ-UHFFFAOYSA-N 277.368 0.612 10 10 CCCE N[C@@H]1Cc2ccc(N3CCS(=O)(=O)CC3)cc2C1 2218703289 IUGKCVIINUGPMT-GFCCVEGCSA-N 266.366 0.347 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3CC(CCCO)C3)ccc21 2230680934 JTTOHJICAQWEFM-CYBMUJFWSA-N 261.325 0.847 10 10 CCCE COc1ccc(N2CCN(C)C[C@H]2CCO)c(CO)c1 2235963080 NWHNEPKRYVSLII-CYBMUJFWSA-N 280.368 0.690 10 10 CCCE COc1ccc(N2C[C@H](O)[C@H](O)[C@H]2CF)c(C=O)c1 2227695159 MNCQCQLZKAYTTQ-FRRDWIJNSA-N 269.272 0.388 10 10 CCCE COc1ccc(N2CCC(=O)N(C)CC2)c(CN)c1 2227679039 DGOJTTXQUOUPTJ-UHFFFAOYSA-N 263.341 0.822 10 10 CCCE Cc1cc(N2CC(O)(CCO)C2)ccc1[C@H](C)O 2258288436 MYBDCHQHLXCFRR-NSHDSACASA-N 251.326 0.982 10 10 CCCE COc1ccc(N2CCNC[C@H]2C(N)=O)c(C)c1C 2269166994 HBADWRTUHSJLOQ-LBPRGKRZSA-N 263.341 0.576 10 10 CCCE COc1ccc(N2C[C@H](O)[C@@H](O)[C@H](CO)C2)c(C)c1C 2289362918 QIGNRVWTWNWZGW-WHOFXGATSA-N 281.352 0.462 10 10 CCCE O=C(N[C@@H]1C[C@@H]2C[C@H]1C[C@H]2O)c1cccc(O)c1O 2330897727 RDZGSYOYMJQWPG-ZOWUKKRWSA-N 263.293 0.987 10 10 CCCE O=C(O)[C@H]1C[C@@H]2CC[C@H]1N2C(=O)c1cc(O)nc(O)c1 2354271413 UZIFBJOLEHRLBF-XHNCKOQMSA-N 278.264 0.571 10 10 CCCE CN[C@H](C)c1ccc(N2C[C@@H]3C[C@H]2[C@@H](O)[C@H]3O)cc1O 2354485052 ZLRIPZMCHFSKIS-LYSHGNGDSA-N 278.352 0.603 10 10 CCCE CN1C(=O)[C@@H](O)c2ccc(N3C[C@@H]4C[C@@H](O)[C@H]3C4)cc21 2355626172 SMIMDGQFVDFAPU-IYMWITQMSA-N 274.320 0.656 10 10 CCCE Nc1ccc(OC[C@H](O)CN2[C@@H]3CC[C@@H]2CC(O)C3)cc1 111383464 UUJNHQWHCRWWBW-UMVBOHGHSA-N 292.379 0.996 10 10 CCCE O=C(CCN1C(=O)CSC1=S)NCc1ccncc1 1865765026 MLALSQWKQNORLE-UHFFFAOYSA-N 295.389 0.948 10 10 CCCE C[C@]1(CNC(=O)c2cccc(O)c2O)CCNC1 302430349 USQODWZMJXEVAI-ZDUSSCGKSA-N 250.298 0.827 10 10 CCCE CC(C)[C@H](O)CCNC(=O)c1cc(O)c(O)c(O)c1 2132348825 SXLLEBDGAWXIED-SECBINFHSA-N 269.297 0.940 10 10 CCCE CNC1CC(CNC(=O)c2cc(O)c(O)c(O)c2)C1 2132406889 LGGZRWCGXKFZTD-UHFFFAOYSA-N 266.297 0.531 10 10 CCCE COC(=O)[C@@]1(NCCN=[N+]=[N-])CCN(C2CC2)C1 90256649 FKDUYXXYCAAQJF-LLVKDONJSA-N 253.306 0.666 10 10 CCCE CC(C)[C@@H](NC(N)=O)C(=O)NCc1ccc(N)cc1 700724469 CWZUQSANHIHSSY-LLVKDONJSA-N 264.329 0.578 10 10 CCCE CC(=O)C(=O)COC(=O)CCCOc1cccnc1 808523046 BVRCXJXXBCPEKS-UHFFFAOYSA-N 265.265 0.942 10 10 CCCE Nc1ccc(OCCN=c2[nH]nc3n2CCOC3)cc1 2162488636 HWLBVNVMSGIJFE-UHFFFAOYSA-N 275.312 0.303 10 10 CCCE CCN[C@@H](C)c1ccc(N(CC(N)=O)CC(N)=O)cc1 723171355 QEKCNYGLLDYWQA-JTQLQIEISA-N 278.356 0.134 10 10 CCCE NN[C@H](c1ccc(N2CCCC2)cc1)[C@@H]1CCS1(=O)=O 2163146979 JROIUDRXQDVROH-UONOGXRCSA-N 295.408 0.978 10 10 CCCE O=C(NC[C@@H]1C[C@@H]2COC[C@H]2O1)c1cccc(O)c1O 724542935 RORZPOXLGRVIFC-VDDIYKPWSA-N 279.292 0.632 10 10 CCCE Oc1ccc(CNC[C@@H]2C[C@H]3COC[C@@H]3O2)cc1O 724621762 XSCNMMNCRNOQTJ-MJVIPROJSA-N 265.309 0.991 10 10 CCCE CC[C@H](C(=O)NCc1ccc(O)cc1O)C(=O)OC 910947445 FAWFGMPMMFFIEM-SNVBAGLBSA-N 267.281 0.913 10 10 CCCE CN1CCc2cc(CN3CCO[C@@H]4CNC[C@H]43)ccc21 686533595 ONCRDLMMCZZIBM-HZPDHXFCSA-N 273.380 0.852 10 10 CCCE C[C@H]1CC[C@H](NS(=O)(=O)Cc2ccc(N)cc2)CN1 1876418280 WOQSGHZQZFKXSP-GWCFXTLKSA-N 283.397 0.829 10 10 CCCE NC(=O)[C@@H]1C[C@@H](O)CN1Cc1cc(Cl)c(F)cc1O 895370574 FTXQAQCGGQCOJH-XCBNKYQSSA-N 288.706 0.605 10 10 CCCE CN(CC(=O)O)c1ccc2c(c1)N(C)C(=O)CCO2 76365761 QBCILLTYKBVXLX-UHFFFAOYSA-N 264.281 0.953 10 10 CCCE C[C@H]1CN(CCC(N)=O)c2cc3c(cc2N1)OCO3 76928831 BZMFCOFPAMEBTG-QMMMGPOBSA-N 263.297 0.911 10 10 CCCE COC(=O)[C@H](O)CCNCc1cc(C)ccc1O 83395563 HWSJBHFBORXIJI-GFCCVEGCSA-N 253.298 0.714 10 10 CCCE COc1ccc(O)c([C@@H](N)c2nnc(CO)o2)c1 83384301 WRUQJCDOHCATHC-SNVBAGLBSA-N 251.242 0.324 10 10 CCCE Oc1ccc(CNCCN2CCOCC2)c(O)c1O 83497180 LMOVLZWWOMDHKK-UHFFFAOYSA-N 268.313 0.225 10 10 CCCE CO[C@@H]1CNC[C@@H]1c1nc(-c2ccc(O)c(O)c2)no1 690066285 KAUFXEHMERPTMB-GZMMTYOYSA-N 277.280 0.850 10 10 CCCE CN(C)C[C@H](O)CNCc1cc2c(cc1O)OCO2 717406177 UXNZKMGRYIMQRI-SNVBAGLBSA-N 268.313 0.133 10 10 CCCE Cc1cc(CN)ccc1N1C[C@H](O)C[C@@H]1CN(C)C 97244552 XKVCGAUQJOEMEI-ZIAGYGMSSA-N 263.385 0.955 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3C[C@H]4OCC[C@@H]4C3)ccc21 2115400252 FOFNZCFCWVGINJ-WQHBLYJGSA-N 259.309 0.864 10 10 CCCE C[C@H]1CCN(c2ccc3c(c2)OCO3)C[C@H](CO)N1 217098374 LNOBHYYCKIWXCQ-WDEREUQCSA-N 264.325 0.964 10 10 CCCE C[C@H]1CN(c2ccc3c(c2)OCO3)C[C@@H](CN)O1 251806358 YKGMTKVXAZHQTR-GXSJLCMTSA-N 250.298 0.968 10 10 CCCE C[C@@H]1CN(Cc2cc(N)ccc2O)C[C@@H](CCO)O1 2122796789 CABCOZLMDPREJH-ZWNOBZJWSA-N 266.341 0.946 10 10 CCCE CC[C@@H](C(=O)NCc1cc(O)ccc1O)C(=O)OC 1643882092 MUDWOHDMKMKZMP-JTQLQIEISA-N 267.281 0.913 10 10 CCCE CCO[C@H]1CS(=O)(=O)C[C@H]1N(C)CCCN=[N+]=[N-] 1912163360 IRWDXRSAVYPUKY-ZJUUUORDSA-N 276.362 0.821 10 10 CCCE [N-]=[N+]=N[C@@H]1CCN(S(=O)(=O)C[C@@H]2CCCO2)C1 1912163600 LNNMAYWFPJZYRF-BDAKNGLRSA-N 260.319 0.880 10 10 CCCE Cc1cnn(CC(=O)NCc2c(O)cccc2O)c1 1597568597 HIMQPKXVRZYQPZ-UHFFFAOYSA-N 261.281 0.919 10 10 CCCE Cc1ccc(NC(=O)C[C@H]2C(=O)NN(C)C2=O)c(C)c1 169995978 IQVNHIVHFIGOCT-JTQLQIEISA-N 275.308 0.751 10 10 CCCE [N-]=[N+]=NCCCCN1C(=O)[C@H]2CCCN2S1(=O)=O 1912205634 BKXHXUGGVKOQGO-MRVPVSSYSA-N 273.318 0.628 10 10 CCCE CC(C)NCc1ccc(N2CC(O)(C(N)=O)C2)cc1Cl 1915205750 GYHRTKOBMFXCEY-UHFFFAOYSA-N 297.786 0.874 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@@H](C(=O)O)O1 222590192 IVGLVNOAJLJSTN-RYUDHWBXSA-N 279.292 0.983 10 10 CCCE COc1cc(N2C[C@H](CO)OC[C@H]2C)ccc1CO 2139682070 BPOSWHZGAFOWRU-ZWNOBZJWSA-N 267.325 0.774 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)[C@H]1CNCC12CC2 1968739598 SZWIGGJRDSNMAP-LLVKDONJSA-N 276.336 0.756 10 10 CCCE C[C@@H](NC(=O)COc1ccc(N)cc1)C(=O)NC1CC1 228886364 YHNUDURUURUWJN-SECBINFHSA-N 277.324 0.431 10 10 CCCE CCOC1(CO)CN(c2ccc(CO)c(OC)c2)C1 2139702258 ILOOTHQHTKNSHU-UHFFFAOYSA-N 267.325 0.775 10 10 CCCE CCNC(=O)CNC(=O)[C@@H]1CNc2ccccc2N1 229877446 RZGIMYNQECYSDL-NSHDSACASA-N 262.313 0.145 10 10 CCCE C[C@@H]1[C@@H]2CNC[C@@H]2CN1C(=O)c1cccc(O)c1O 126702340 DLJORNOCNLEUEN-KKZNHRDASA-N 262.309 0.778 10 10 CCCE N[C@H]1C[C@H](O)CN(Cc2cc(Cl)ccc2O)C1 1971881443 RQSAKUPAXGBOTD-QWRGUYRKSA-N 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CCCE CNCc1ccc(N2CC[C@@H](O)[C@@H](CO)C2)c(C)c1 396829298 DCBGNSQZNOIGFI-UKRRQHHQSA-N 264.369 0.894 10 10 CCCE Cc1c([C@H](NN)c2ccc3c(c2)CCN3C)nnn1C 2163147865 QNPIHAIDUZGRIY-CQSZACIVSA-N 272.356 0.669 10 10 CCCE CO[C@H](C(=O)O)C1CN(C(=O)c2ccc(O)c(O)c2)C1 2172353184 SNDKQMLGBHNAQV-NSHDSACASA-N 281.264 0.269 10 10 CCCE C[C@H](c1ccccc1O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 2173417543 BTLNQCUIFXIBJZ-NTZNESFSSA-N 275.352 0.697 10 10 CCCE COC(=O)NC[C@@H]1CCN1C(=O)Cc1ccc(N)cc1 2187287877 GMKWFCVGTFGRBO-LBPRGKRZSA-N 277.324 0.768 10 10 CCCE Nc1ccc(OCC(=O)N[C@H]2CNCC3(CC3)C2)cc1 2191660390 WKWPRIZKCNMSTJ-GFCCVEGCSA-N 275.352 0.906 10 10 CCCE Nc1ccc(OCCC(=O)NC[C@@H]2COCCN2)cc1 2191746115 RZYJZRFOSAZYSA-GFCCVEGCSA-N 279.340 0.142 10 10 CCCE NC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccc(N)cc1 2192278841 MXJNIKIMKHMXOU-RYUDHWBXSA-N 274.324 0.175 10 10 CCCE COc1cc(N2C[C@H](O)C[C@H]2CN)cc(OC)c1OC 2181955894 SWRPOLGKERSMGE-WDEREUQCSA-N 282.340 0.611 10 10 CCCE O=C(NC12CC(C(=O)O)(C1)C2)c1cc(O)c(O)c(O)c1 2188874760 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COc1cc(N2C[C@H](O)C[C@@H]2CO)ccc1CO 2084017644 UOIIFJWCOWAECR-VXGBXAGGSA-N 253.298 0.119 10 10 CCCE O=C(N[C@@H]1C[C@@]2(C(=O)O)C[C@@H]12)c1cccc(O)c1O 2104713442 JIOFBDLQRJAPEO-DAROEXNTSA-N 263.249 0.691 10 10 CCCE COC[C@@H](OC)[C@@H](NN)c1ccc2c(c1)CCN2C 2106869595 INKKHWLULINEDD-KGLIPLIRSA-N 265.357 0.845 10 10 CCCE Nc1ccc(CS(=O)(=O)NC2CC(CCO)C2)cc1 2090476664 STZQQONWRYQOJZ-UHFFFAOYSA-N 284.381 0.849 10 10 CCCE O=C(N[C@@H]1C[C@H](CO)[C@@H]2C[C@H]12)c1cc(O)nc(O)c1 2110610964 DZSPGCYBKMMRGP-XFWSIPNHSA-N 264.281 0.240 10 10 CCCE COc1ccc(CN(C)[C@H]2CC(=O)NC2=O)c(O)c1 2114732589 OAPGGSOYRKPXJA-JTQLQIEISA-N 264.281 0.248 10 10 CCCE C[C@H](c1ccc(O)cc1O)N1C[C@@H](C(=O)O)C[C@@H](O)C1 2201050084 NOWYPIKQCOCZIY-WCABBAIRSA-N 281.308 0.926 10 10 CCCE CN(C)CCN(CCN)C(=O)Nc1ccc(N)cc1 2265842646 PWCBWHATJLHALH-UHFFFAOYSA-N 265.361 0.623 10 10 CCCE COc1ccc(N2C[C@@H]3OC[C@@H](CO)[C@@H]3C2)c(CN)c1 2235969255 BOIBUJXNJGERDB-ZLDLUXBVSA-N 278.352 0.597 10 10 CCCE CCOC[C@@](CN)(Oc1ccc(N(C)C)cc1)C(=O)O 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265.265 0.938 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC[C@H]2C[C@]1(CO)C2 2336784928 FQOVTOMKCOBUTG-KTLJEJPDSA-N 264.281 0.480 10 10 CCCE C[C@@H](CN)S(=O)(=O)N1CCc2cc(O)c(O)cc2C1 2341200885 JVIXGFCYROMISP-QMMMGPOBSA-N 286.353 0.133 10 10 CCCE COc1cnc([C@H](O)[C@@H](N)c2ccccc2O)nc1 2352175418 DXMWHUFJPLFBBM-NWDGAFQWSA-N 261.281 0.924 10 10 CCCE COc1ccc(O)c(CN[C@H]2CCN(C)C2=O)c1 126687376 JDUMJDJHZNZJIJ-NSHDSACASA-N 250.298 0.721 10 10 CCCE C[C@@H](c1ccc(O)cc1O)N(C)CC(=O)N1CCNCC1 38030927 YZGIDRKENGHLLM-NSHDSACASA-N 293.367 0.522 10 10 CCCE CN(C)c1ccc(CNC(=O)NCc2ncnn2C)cc1 76790409 GQBHBQLVTHWOOO-UHFFFAOYSA-N 288.355 0.881 10 10 CCCE COC(=O)[C@@H](C)OC(=O)COc1ccc(N)cc1 43632240 UACXREVENHCHBW-MRVPVSSYSA-N 253.254 0.752 10 10 CCCE [N-]=[N+]=NCCCN[C@]1(C(N)=O)CCN2CCCC[C@@H]21 227921021 SMRDBQKAIWWWDM-ZYHUDNBSSA-N 266.349 0.759 10 10 CCCE Nc1ccc(-n2ccc(C(=O)NCc3nc[nH]n3)n2)cc1 40308554 NTSTXAZPHGDNKO-UHFFFAOYSA-N 283.295 0.503 10 10 CCCE CC[C@@H](c1ccccc1O)N1CCNC[C@@H]1C(N)=O 88659638 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Nc1ccc(NC(=O)C(=O)N[C@H]2CO[C@H](C3CC3)C2)cc1 861529919 PJFDDTKIZRJYBB-OLZOCXBDSA-N 289.335 0.891 10 10 CCCE CCOc1cccc(CNCC2CN(C(N)=O)C2)c1O 1875453510 IFKOPOQKQVPTMT-UHFFFAOYSA-N 279.340 0.891 10 10 CCCE Nc1ccc(OCCC(=O)N[C@H]2COC[C@@H]2F)cc1 1876139510 JWLSBURUQKRMTI-RYUDHWBXSA-N 268.288 0.891 10 10 CCCE CC1(C)[C@H](N)C[C@H]1NC(=O)COc1ccc(N)cc1 1876511622 SJMVOVNHZRZVKG-VXGBXAGGSA-N 263.341 0.890 10 10 CCCE O=C(NCc1c(O)cccc1O)[C@H]1[C@@H]2CCC(=O)[C@@H]12 1156885471 FWNHTEFIQXXZAH-RDZIJCNDSA-N 261.277 0.939 10 10 CCCE CC(=O)NC[C@H]1NCCc2c1cc(O)c(O)c2O 75818895 ZRHYAXKULPFIAF-SECBINFHSA-N 252.270 0.126 10 10 CCCE Oc1cc2c(c(O)c1O)CCN[C@@H]2c1ncccn1 75819170 LCXVCPTZTCBWSS-JTQLQIEISA-N 259.265 0.829 10 10 CCCE C[C@H](O)[C@@H](N)C(=O)NCc1ccc(N(C)C)cc1 83385164 UJDISCIBGJELMX-JOYOIKCWSA-N 251.330 0.077 10 10 CCCE COC(=O)[C@H]1C(=O)N[C@@H](c2ccc(N(C)C)cc2)C1=O 692048771 MDZAKORIDXTYAN-MNOVXSKESA-N 276.292 0.282 10 10 CCCE Nc1ccc(CCC(=O)N[C@@H]2CCOC[C@H]2O)cc1 706753395 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254.330 0.324 10 10 CCCE O=C(NCCN1C(=O)CSC1=S)c1cccnc1 49755885 FEVSEMKUJWRAQB-UHFFFAOYSA-N 281.362 0.672 10 10 CCCE N[C@](CO)(C(=O)O)c1cc(Br)ccc1O 238590303 VFWXLLNUDOSRLM-VIFPVBQESA-N 276.086 0.386 10 10 CCCE C[C@@H](CCC(N)=S)NC(=O)c1cc(O)c(O)c(O)c1 2132406138 FQLWOOQLPVLHCL-LURJTMIESA-N 284.337 0.988 10 10 CCCE O=C(N[C@@H]1CCN[C@H]2C[C@@H]21)c1cc(O)c(O)c(O)c1 2132407346 OUQPJZGFSWOHNZ-HLTSFMKQSA-N 264.281 0.284 10 10 CCCE O=C1N[C@@H](c2cc([N+](=O)[O-])ccc2O)N2CCOC[C@@H]12 93885306 CNQWULYIFHQURD-GXSJLCMTSA-N 279.252 0.130 10 10 CCCE C=Cc1cc(OC)cc2c1N(C)C[C@@H](C(=O)O)NC2=O 527430704 AIMFOMDNAVUURF-NSHDSACASA-N 276.292 0.971 10 10 CCCE CC(=O)C(=O)COc1cc(C=O)ccc1[N+](=O)[O-] 808021703 BXBWIHNWQQAZNJ-UHFFFAOYSA-N 251.194 0.944 10 10 CCCE CN(C)C(=O)[C@H]1CNCCN1c1ccc2c(c1)CCO2 2162657953 XWHZRDUJKMPODN-CYBMUJFWSA-N 275.352 0.488 10 10 CCCE C[C@@H]1C[C@H]1N(CCO)c1ccc2c(c1)N(C)C(=O)[C@H]2O 2167110136 SWZABSUILJYFTF-IUPBHXKESA-N 276.336 0.904 10 10 CCCE Cc1cc(CN)ccc1N1CC(NS(=O)(=O)C2CC2)C1 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1917716191 YGLIGTJEYQLGRN-QMMMGPOBSA-N 267.281 0.944 10 10 CCCE O=C(NC[C@@H]1C[C@@H]2NCC[C@H]21)c1cccc(O)c1O 2140678504 BATNHCKSJWNOAM-QXEWZRGKSA-N 262.309 0.826 10 10 CCCE C[C@@H](c1cc(O)ccc1O)N1C[C@H](O)C[C@@H]1C(=O)O 2136119517 IBXSAVWETYWZAR-JVUFJMBOSA-N 267.281 0.679 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@@]1(C)COCCN1 2136504665 PTNFZSNPFADPMA-CQSZACIVSA-N 264.325 0.729 10 10 CCCE O=C(N[C@@H]1CN[C@@H]2CCC[C@@H]12)c1cccc(O)c1O 1925996482 MSBQXPNYFKCPIZ-FBIMIBRVSA-N 262.309 0.968 10 10 CCCE CNC(=O)CCNC(=O)[C@@H]1CNc2ccccc2N1 229880000 KQYCSKJFCJAODE-NSHDSACASA-N 262.313 0.145 10 10 CCCE COc1cc(N(CCO)CCN(C)C)ccc1CO 2139698790 NHHBFSVJDQCUKB-UHFFFAOYSA-N 268.357 0.548 10 10 CCCE COC(=O)[C@H](OC)[C@H](N)Cc1ccc(O)c(O)c1 1951835110 VNVSYWVUVBMJLX-LDYMZIIASA-N 255.270 0.156 10 10 CCCE CCOc1cccc([C@H]2CS(=O)(=O)NCCN2)c1O 1952534485 ILURSJMJBKZGFQ-SNVBAGLBSA-N 286.353 0.355 10 10 CCCE N[C@@]1(c2ccc(N3CCOCC3)cc2)C[C@@H]1C(=O)O 1952792569 GKTWFNMGSCZJIQ-TZMCWYRMSA-N 262.309 0.782 10 10 CCCE O=[N+]([O-])c1cc(CO)ccc1N1CCOCCOCC1 1973873246 WPOQUPOWSFSTCZ-UHFFFAOYSA-N 282.296 0.940 10 10 CCCE C[C@@](F)(CN)CS(=O)(=O)Nc1ccc(O)cc1 2000540516 PHYKBEMNUWATOM-SNVBAGLBSA-N 262.306 0.821 10 10 CCCE O=C(O)c1cc(O)ccc1NS(=O)(=O)CCF 2008343108 VWSMBCYBSZYULT-UHFFFAOYSA-N 263.246 0.802 10 10 CCCE COC(=O)[C@H](C)CS(=O)(=O)N1CC(N=[N+]=[N-])C1 2012083183 GMRPZBPYWHYFEZ-ZCFIWIBFSA-N 262.291 0.120 10 10 CCCE CS(=O)(=O)CNC(=O)NCC1(CN=[N+]=[N-])CC1 2024079393 MZTHDPREFAIFAT-UHFFFAOYSA-N 261.307 0.378 10 10 CCCE O=C1NCCC[C@@H]1CNCc1ccc(O)cc1O 2027491592 HRFXPDIPPINISS-SNVBAGLBSA-N 250.298 0.714 10 10 CCCE COc1ccc(N2C[C@H](O)[C@@H](N(C)C)C2)c(N)c1 2029421861 IIMQEZFCAZFCTM-STQMWFEESA-N 251.330 0.389 10 10 CCCE O=C(O)[C@@H]1[C@H]2C[C@H]1N(C(=O)c1cccc(O)c1O)C2 400211910 KBEKZSIOSQIALO-SKWCMTHISA-N 263.249 0.643 10 10 CCCE N=C(CC1(CNC(=O)c2ccc(O)c(O)c2)CC1)NO 404115956 LHGHQKJEJOXYJS-UHFFFAOYSA-N 279.296 0.954 10 10 CCCE CS(=O)(=O)NCCN[C@H]1CCc2cccc(O)c21 310812825 GFALLKMPYFDEQI-JTQLQIEISA-N 270.354 0.518 10 10 CCCE Nc1ccc(-n2ccc(C(=O)NCC(=O)O)n2)cc1 311695780 GNDFTVCBHPTUKC-UHFFFAOYSA-N 260.253 0.269 10 10 CCCE C[C@H]1[C@H](NC(=O)Nc2ccc(N)cc2)CCS1(=O)=O 312088131 OLWHGGGOWNYKHG-GZMMTYOYSA-N 283.353 0.966 10 10 CCCE Nc1ccc(CCCN2C[C@@H](O)[C@H](CC(=O)O)C2)cc1 2179711267 VPDCYERVXKWDLI-TZMCWYRMSA-N 278.352 0.969 10 10 CCCE COCCNC(=O)[C@H](C)NCc1c(O)cccc1OC 2160701703 WIHCHFVEDCBTME-JTQLQIEISA-N 282.340 0.642 10 10 CCCE CSCC[C@@H](NC(N)=O)C(=O)NCc1ccc(N)cc1 704362991 IPUZMNDFQXOVDC-LLVKDONJSA-N 296.396 0.675 10 10 CCCE C[C@H](O)c1ccc(N(C)[C@H]2COC[C@@H]2O)cc1O 708712787 JXGXIQIUWPBSMZ-QWRKXWFKSA-N 253.298 0.641 10 10 CCCE CNC(=O)CC1CN(CCOc2ccc(N)cc2)C1 382132676 YEECDHRPHFYERT-UHFFFAOYSA-N 263.341 0.716 10 10 CCCE CC[C@@H](c1ccccc1O)N1CCOC[C@@]1(CN)CO 693975845 WXVHGWSGGTVYJQ-DZGCQCFKSA-N 280.368 0.865 10 10 CCCE CCC[C@@H](CCO)NC(=O)c1cc(O)nc(O)c1 716954690 BAQQPFWXTMNDSX-VIFPVBQESA-N 254.286 0.774 10 10 CCCE CN[C@H](c1ccc(N(C)C)cc1)[C@@H](O)c1cnnn1C 2163132439 BUSWJZISMNOYOF-KGLIPLIRSA-N 275.356 0.875 10 10 CCCE CN1CCCc2cc([C@@H](NN)[C@@H]3COCCO3)ccc21 2163149457 JWRKIWGDYYKTNF-LSDHHAIUSA-N 277.368 0.989 10 10 CCCE C[C@H]1C[S@](=O)CCN1c1cc2c(cc1N)OCC(=O)N2 2171970511 YQAJDXDXNVWUPV-FFVOIRBGSA-N 295.364 0.557 10 10 CCCE NC[C@H]1C[C@](F)(CNC(=O)Cc2ccc(O)c(O)c2)C1 2172276102 PASDULKDXJQYGY-WJONMLJTSA-N 282.315 0.834 10 10 CCCE Nc1ccc(OCCN2C3COCC2COC3)cc1 399998465 PSODISCROJRLDQ-UHFFFAOYSA-N 264.325 0.747 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3CC[C@@H]4[C@H](O)C[C@H]43)ccc21 2178170390 WBZKVBHIHPVLDX-ASEORRQLSA-N 273.336 0.859 10 10 CCCE C[C@@H](O)c1ccc(N2C[C@H]3C[C@H]2CN3C(N)=O)cc1O 2192277662 MIMPHXFQFXKHDP-DVVUODLYSA-N 277.324 0.787 10 10 CCCE CN1C[C@H](N(C)CC(=O)Nc2ccc(N)cc2)CC1=O 2188487325 NVWSAUXFTAEYGC-GFCCVEGCSA-N 276.340 0.370 10 10 CCCE NCC1CC2(CCN2C(=O)Cc2ccc(O)c(O)c2)C1 2182206389 AYHKYHVLCLXLRE-UHFFFAOYSA-N 276.336 0.980 10 10 CCCE NC[C@]1(F)C[C@H](CNC(=O)c2cc(O)c(O)c(O)c2)C1 2188921812 DSPHUPULQCQZBX-DQVINBPGSA-N 284.287 0.610 10 10 CCCE COc1cccc(O)c1CN[C@H]1CN(C)C[C@@H]1O 2042571149 PEMIMUCVUSWGNZ-JQWIXIFHSA-N 252.314 0.165 10 10 CCCE NC(=O)[C@H]1OCC[C@H]1NCc1ccc(Cl)cc1O 2053779587 INNPRNVFSQJUIG-KOLCDFICSA-N 270.716 0.778 10 10 CCCE COC(=O)[C@]1(NCCN=[N+]=[N-])C[C@H]2CN[C@@H](C2)C1 2062825168 DYWYASFDOAXNCE-QXEWZRGKSA-N 253.306 0.570 10 10 CCCE Nc1ccc(OCCC(=O)NC[C@H]2CNC(=O)O2)cc1 2186495479 HEQBSIHDUYXYKC-NSHDSACASA-N 279.296 0.262 10 10 CCCE O=C(NCc1cnns1)c1cc(O)c(O)c(O)c1 2068578119 QVVNZWGSVVFCGK-UHFFFAOYSA-N 267.266 0.585 10 10 CCCE COC[C@H]1C[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2068622387 WVKDBZHKDSMJOZ-SFYZADRCSA-N 253.254 0.568 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@H]2CNCC3(CC3)C2)cc1 2191635980 SGEGICREAZPZHP-ZDUSSCGKSA-N 295.408 0.830 10 10 CCCE C[C@@H]1NCC[C@@H]1NS(=O)(=O)Cc1ccc(N)cc1 2071698639 VGBAHDGFRBNQMU-CABZTGNLSA-N 269.370 0.439 10 10 CCCE C[C@H](NC(=O)NCC1(CN=[N+]=[N-])CC1)S(C)(=O)=O 2082959863 VLQZUMBULWKECO-SSDOTTSWSA-N 275.334 0.767 10 10 CCCE O=C(N[C@@H]1C[C@]2(C(=O)O)C[C@@H]12)c1ccc(O)c(O)c1 2104717397 ZFFNJTWBHYEEGJ-HHURGBBESA-N 263.249 0.691 10 10 CCCE COc1ccc(N2CCOC[C@@]2(CN)CO)cc1F 2106390006 PDRLAUHUMZDKKU-CYBMUJFWSA-N 270.304 0.361 10 10 CCCE CCN[C@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1 2087722781 OELWXKLSZDLHKB-NSHDSACASA-N 264.325 0.851 10 10 CCCE C[C@H]1CCN(CCOc2ccc(N)cc2)[C@H]1C(N)=O 2090266846 WYELHNFKBKEECU-GXFFZTMASA-N 263.341 0.843 10 10 CCCE NC(=O)[C@@]1(O)CCN(CCCc2ccc(N)cc2)C1 2090617055 NIBOAQVRZRRRRF-CQSZACIVSA-N 263.341 0.124 10 10 CCCE Nc1ccc(N2CC[C@H](N3CCCS3(=O)=O)C2)cc1 2090797048 MXIKAFGONDJRBK-ZDUSSCGKSA-N 281.381 0.883 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)[C@]12COC[C@@H]1C2 2091740979 FNQZFIKPOLJBDA-IINYFYTJSA-N 263.293 0.793 10 10 CCCE Oc1c(CNC2(c3nn[nH]n3)CC2)ccc(F)c1F 2094701732 BYPZXOVSVBCQPF-UHFFFAOYSA-N 267.239 0.962 10 10 CCCE C[C@H](c1ccccc1O)N(C)C(=O)CN(C)CCN 2096644780 OUTOJSTXOYAZEY-LLVKDONJSA-N 265.357 0.802 10 10 CCCE CN(C)C[C@H]1CN(Cc2cc(N)ccc2O)CCO1 2113981579 LIADCHCQKMKNEE-ZDUSSCGKSA-N 265.357 0.737 10 10 CCCE CCN(CCc1ccc(N)cc1)[C@H]1CC(=O)NC1=O 2114732982 SFJHQKMAZTXNLQ-LBPRGKRZSA-N 261.325 0.548 10 10 CCCE C[C@]1(O)CN(CC(=O)Nc2ccc(N)cc2)CC[C@H]1O 2201495346 BOUQQLHTNXYMRT-OCCSQVGLSA-N 279.340 0.025 10 10 CCCE COc1cc(N2C[C@]3(CO)C[C@@]3(CO)C2)ccc1CO 2204555929 AVYXETOJYNIIJR-GJZGRUSLSA-N 279.336 0.369 10 10 CCCE CO[C@@H]1[C@H](OC)CN(Cc2ccc(N)cc2)[C@H]1C(=O)O 2205458717 FTSSRGUJDLPKAV-JHJVBQTASA-N 280.324 0.568 10 10 CCCE O=C(N[C@@H]1CC[C@@H]1CO)c1cc(O)c(O)c(O)c1 2218451254 ZEOKEIMTAHWEOE-HTRCEHHLSA-N 253.254 0.304 10 10 CCCE NC(=O)c1csc(=NCCc2ccc(N)cc2)[nH]1 2218532748 VPUOKWRAPKGMQC-UHFFFAOYSA-N 262.338 0.901 10 10 CCCE CN1C[C@H](C(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])CC1=O 2218745598 RRGQCIBYRRKXCL-HRDYMLBCSA-N 251.290 0.812 10 10 CCCE COc1ccc(N2C[C@@H](CO)[C@@H](CO)C2)c(F)c1 2219607034 AGHJZMJLRVFDOT-AOOOYVTPSA-N 255.289 0.871 10 10 CCCE CC[C@H]1[C@H](O)CCN1c1ccc2c(c1)NC(=O)[C@H]2N 2273226039 XNBYEFGKWHKPCU-XQQFMLRXSA-N 261.325 0.988 10 10 CCCE CS(=O)(=O)N1CC(CN[C@@H]2CCc3cccc(O)c32)C1 2233053338 WFVHDZFEQYSMFS-GFCCVEGCSA-N 296.392 0.861 10 10 CCCE COCC[C@H](N)CNC(=O)CCOc1ccc(N)cc1 2233918580 LRVXECULCYNMPP-LBPRGKRZSA-N 281.356 0.518 10 10 CCCE C[C@H](O)c1ccc(N2CC[C@@](O)(CO)[C@@H](O)C2)c(F)c1 2234098197 RKDNXPDWZWULNE-QCZZGDTMSA-N 285.315 0.173 10 10 CCCE N=c1nnc(OCC2(CC(F)(F)F)CCNCC2)n[nH]1 2234533873 ARCRPWRNXFAQSD-UHFFFAOYSA-N 292.265 0.380 10 10 CCCE COc1ccc(N2CCC[C@@](O)(C(N)=O)C2)cc1OC 2235114790 GBADIXULPVSQMY-AWEZNQCLSA-N 280.324 0.520 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)[C@@H]1CC[C@@H](C(=O)O)O1 2225792037 JOQIIENRQSCBLB-CIUDSAMLSA-N 268.273 0.920 10 10 CCCE NCc1cc(F)c(N2C[C@@H](CO)C[C@@H](CO)C2)c(F)c1 2236626738 DJDQRLGGPZODFD-PHIMTYICSA-N 286.322 0.851 10 10 CCCE CN1CCCc2cc(N3C[C@@H](CO)[C@@H](O)C3)ccc21 2226657991 YNZLIHNUNBROMU-WFASDCNBSA-N 262.353 0.858 10 10 CCCE CN1CCc2cc(N3CC[C@@H](O)[C@H](CO)C3)ccc21 2226805702 KNVAQLYMAXRZCZ-SWLSCSKDSA-N 262.353 0.858 10 10 CCCE COc1ccc(N2C[C@H]3C[C@H]2[C@@H](O)[C@H]3O)c(F)c1F 2226932880 XSQIPTMRSHOVJG-BKVLGDARSA-N 271.263 0.904 10 10 CCCE [N-]=[N+]=NC1CN(C(=O)[C@@H]2CC[C@@H](C(=O)O)S2)C1 2249513504 PQQOBAGVZLWEPE-BQBZGAKWSA-N 256.287 0.856 10 10 CCCE O=S1(=O)CC(O)(CN[C@H]2CCc3cccc(O)c32)C1 2267901166 LVUQODWSZRWAMN-JTQLQIEISA-N 283.349 0.129 10 10 CCCE NCc1ccc(N2CC[C@H](O)[C@H](O)CC2)c(F)c1F 2269148891 WCGUASJFFDPBAY-PHIMTYICSA-N 272.295 0.746 10 10 CCCE Cc1cc(N2CCOC[C@H]2C(N)=O)ccc1[C@H](C)O 2269682459 YHCGWAKZPNBRSW-GWCFXTLKSA-N 264.325 0.739 10 10 CCCE CCN(CCO)CCNC(=O)C=Cc1ccc(O)c(O)c1 2309444836 BFQQBSZZFWMCNO-UHFFFAOYSA-N 294.351 0.541 10 10 CCCE CS(=O)(=O)[C@H](C(=O)N1CC[C@@H](N=[N+]=[N-])C1)C1CC1 2314353107 KESDZJJJOATCRK-BDAKNGLRSA-N 272.330 0.721 10 10 CCCE CCN(CCN=[N+]=[N-])C(=O)[C@@H]1CCn2ncnc2C1 2337776250 KHOSNPOSKURILK-SECBINFHSA-N 263.305 0.999 10 10 CCCE OCc1ccc(N2C[C@@H](O)C[C@H](O)C2)cc1C1CC1 2339157798 NKDVJBREZWDJLU-KBPBESRZSA-N 263.337 0.988 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1C[C@H]2CC[C@H](O)[C@H]2C1 2353933996 JRLNPOVLZGBFHY-WOPDTQHZSA-N 277.320 0.870 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1C[C@H]2C[C@@H](CO)[C@H]2C1 2355425329 WNLXNOXKLMHEIW-WOPDTQHZSA-N 277.320 0.727 10 10 CCCE CNC(=O)CCOC(=O)c1ccn(-c2ccc(N)cc2)n1 51762422 RWBWFGJCMDKQRL-UHFFFAOYSA-N 288.307 0.747 10 10 CCCE CCN(c1ccc(N)cc1)[C@@H](C)C(=O)NC(N)=O 63114763 MFHMGQIAKYTODR-QMMMGPOBSA-N 250.302 0.679 10 10 CCCE NC(=O)CN(CC(N)=O)c1ccc(OC2CCCC2)cc1 31465413 QLDINYDCCTZJHM-UHFFFAOYSA-N 291.351 0.785 10 10 CCCE CC(C)N(CCO)CC(=O)Nc1ccc(N)cc1 42478033 VYTMACAMGQVVSI-UHFFFAOYSA-N 251.330 0.910 10 10 CCCE Cc1ccc(S(=O)(=O)NCCC(=O)C=[N+]=N)cc1 96295154 UVRSLZQEMMATHE-UHFFFAOYSA-N 268.318 0.542 10 10 CCCE O=C(NCc1ccccc1O)NC[C@H]1COCCN1 529382537 UGECHJVDYUWVBO-NSHDSACASA-N 265.313 0.180 10 10 CCCE C[C@H]1OCC[C@H]1CNC(=O)c1cc(O)c(O)c(O)c1 1148586900 ZBDYGCRXSYNCKJ-SFYZADRCSA-N 267.281 0.958 10 10 CCCE CC(=O)C(=O)COC(=O)c1cccc(-n2ccnn2)c1 808528655 JZFWYDPIQHSRIV-UHFFFAOYSA-N 273.248 0.582 10 10 CCCE CN(C[C@H]1C[C@@H](O)C1)c1ccc2c(c1)NC(=O)[C@H]2O 703751512 VQDBUCNKNDLUJO-PLMOITTCSA-N 262.309 0.879 10 10 CCCE CO[C@H]1C[C@H](CO)N(c2ccc3c(c2)NC(=O)[C@H]3O)C1 2167205793 NIHRQAHDDLLAFS-NRUUGDAUSA-N 278.308 0.258 10 10 CCCE COCc1nc(C(=O)NCc2c(O)cccc2F)no1 902944937 OILRKDXPWNKAJB-UHFFFAOYSA-N 281.243 0.991 10 10 CCCE COc1cccc(CNS(=O)(=O)N(C)C2CC2)c1O 751305165 KFTKCFNFQZETBM-UHFFFAOYSA-N 286.353 0.829 10 10 CCCE CS(=O)(=O)NCCC(=O)NCc1c(O)cccc1F 928711663 KYYAGRRCACYURJ-UHFFFAOYSA-N 290.316 0.087 10 10 CCCE NC[C@@H]1CC[C@@H](NC(=O)COc2ccc(N)cc2)C1 1876524517 ZJVDXQSLIXTULC-ZYHUDNBSSA-N 263.341 0.891 10 10 CCCE Nc1ccc(NC(=O)N2CCO[C@H]3COC[C@@H]32)cc1 1877660910 WVULIGNYTLIYJS-RYUDHWBXSA-N 263.297 0.900 10 10 CCCE CNC(=O)C1(NCc2cccc(OC)c2O)CCOCC1 895884178 LFTQMBUUHPOQMC-UHFFFAOYSA-N 294.351 0.786 10 10 CCCE Nc1cccc(C(=O)O)c1N[C@H]1CCOC[C@@H]1CO 1878779984 YAZXFXHNHNIVKM-KWQFWETISA-N 266.297 0.776 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@H](N2CCC2)C1 1148307588 MITJZWNHIDVVIA-LBPRGKRZSA-N 276.336 0.947 10 10 CCCE Cn1ncc(C(=O)NCc2cc(O)ccc2O)c1N 1303226079 VXAOFEJQBLNCNO-UHFFFAOYSA-N 262.269 0.344 10 10 CCCE CNC(=O)CN1C[C@@H](C)Nc2cc3c(cc21)OCO3 76928796 XLXDUDAOGQLXCK-MRVPVSSYSA-N 263.297 0.782 10 10 CCCE Cc1cccc([C@@H](N)C(=O)NCCCN(C)C)c1O 83482350 HYLSLAFKTHKZOE-GFCCVEGCSA-N 265.357 0.768 10 10 CCCE C[C@H](O)CCN(C)c1ccc2c(c1)N(C)C(=O)[C@@H]2N 135568051 JVGJOLXQLVEJNL-TVQRCGJNSA-N 263.341 0.870 10 10 CCCE COc1ccc(N(C)C[C@]2(O)CCNC[C@H]2O)cc1 1890526592 PPNHGTVZLGXZHH-ZIAGYGMSSA-N 266.341 0.217 10 10 CCCE C[C@@]1(CNC(=O)c2cccc(O)c2O)CCCN1 97911918 RKCBTMLYMSOQCX-ZDUSSCGKSA-N 250.298 0.970 10 10 CCCE C[C@@]1(O)CCN(c2ccc(CN)c(F)c2F)C[C@@H]1O 1893338448 DNWOOMFHAYHARH-GXFFZTMASA-N 272.295 0.746 10 10 CCCE CCS(=O)(=O)C1(CNC(=O)Cc2ccc(N)cc2)CC1 693499665 BXZRVAQFMWEROU-UHFFFAOYSA-N 296.392 0.895 10 10 CCCE CN(C)c1ccc(CNC(=O)[C@@H]2COC[C@H]2N)cc1 90383752 GHCWNXJRMATUST-CHWSQXEVSA-N 263.341 0.343 10 10 CCCE CNC(=O)[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C(C)C 1618178642 IWLAZXQKRFKYKO-ZDUSSCGKSA-N 280.324 0.527 10 10 CCCE [N-]=[N+]=NCCN[C@]1(C(N)=O)CO[C@]2(CCCOC2)C1 2122414058 JKBOEHGFZYBBMX-MNOVXSKESA-N 269.305 0.080 10 10 CCCE CC(=O)N[C@H](C(=O)NCc1cc(O)ccc1O)C(C)C 1558174223 HUMVQCNIMLSQSE-ZDUSSCGKSA-N 280.324 0.875 10 10 CCCE CCNC(=O)CN(CC)C(=O)Cc1ccc(O)c(O)c1 1625268163 WPLHUQPOVWIZPE-UHFFFAOYSA-N 280.324 0.625 10 10 CCCE O=C(Cn1cc([N+](=O)[O-])cn1)NCc1c(O)cccc1F 1635360403 LQHXTIPCKBLGQZ-UHFFFAOYSA-N 294.242 0.952 10 10 CCCE O=C(NCc1c(O)cccc1F)c1cc(O)ncn1 1635366946 SOKJTNJZJJUDMM-UHFFFAOYSA-N 263.228 0.957 10 10 CCCE CCOC(=O)[C@](C)(NCCCN=[N+]=[N-])c1ncnn1C 1912155017 OLJXLJKPJHLGCE-LLVKDONJSA-N 281.320 0.883 10 10 CCCE COc1ccc(O)c(CN(C)C[C@H]2COCCN2)c1 1964655364 YFOOVFCKVKNTJY-LBPRGKRZSA-N 266.341 0.821 10 10 CCCE O=C(NCc1ccccc1O)[C@@H]1CO[C@H]2COC[C@H]12 1964887902 BMIDOOIRLGBJEX-WZRBSPASSA-N 263.293 0.670 10 10 CCCE NC(=O)CC[C@@H](NC(=O)CCc1ccc(N)cc1)C(=O)O 158130583 NCZPENSGQFRDNQ-LLVKDONJSA-N 293.323 0.036 10 10 CCCE COc1c([C@H](NCCN=[N+]=[N-])C(N)=O)c(C)nn1C 158483806 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COC(=O)N[C@H](C)CNC(=O)c1cc(O)c(O)c(O)c1 2290368565 NQCCWIQOLPAIEY-ZCFIWIBFSA-N 284.268 0.278 10 10 CCCE CC1(C)C(=O)NC[C@H]1NCc1cc2c(cc1O)OCO2 2281196445 YRQRDPLLYLIWFL-GFCCVEGCSA-N 278.308 0.735 10 10 CCCE Cc1cn(CC(=O)N2CC[C@H](N=[N+]=[N-])C2)c(=O)nc1O 2284617624 PRAZDOBYTOBQGL-QMMMGPOBSA-N 278.272 0.169 10 10 CCCE COC(=O)c1csc(NN(C)S(=O)(=O)C2CC2)n1 2317451298 OSOCAQFXCWPAHN-UHFFFAOYSA-N 291.354 0.681 10 10 CCCE CN[C@H](C)c1ccc(N2CC([C@@H](O)CO)C2)cc1O 2336780396 JSJLIQLHHZKSEW-OTYXRUKQSA-N 266.341 0.462 10 10 CCCE Nc1ccc(CC(=O)N(CCO)CCC(=O)O)cc1 2342711619 MCOUXHYVLKWUDV-UHFFFAOYSA-N 266.297 0.107 10 10 CCCE CS(=O)(=O)[C@@H]1CC[C@@H]1NC(=O)Nc1ccc(N)cc1 2342718658 GOJIXIGGRNEVRO-WDEREUQCSA-N 283.353 0.966 10 10 CCCE CO[C@@H]1CNC[C@](O)(c2ccc3c(c2)CCN3C)C1 2344408928 GTFYXLDRXPLHOE-ZFWWWQNUSA-N 262.353 0.875 10 10 CCCE CC(=CCNC(=O)c1cc(O)c(O)c(O)c1)C(=O)O 2132348212 GPULJFRZVYLIKY-UHFFFAOYSA-N 267.237 0.564 10 10 CCCE CCCNC(=O)NC(=O)COc1ccc(N)cc1 38055425 FZOLGUUNGDEVKD-UHFFFAOYSA-N 251.286 0.883 10 10 CCCE NC(=O)Cn1cc(NCc2cc3c(cc2O)OCO3)cn1 42879925 ZXMKZGFGEUDOOQ-UHFFFAOYSA-N 290.279 0.415 10 10 CCCE C[C@@H](C[S@@](C)=O)NC(=O)c1ccc(O)c(O)c1 230181472 AGEHDOJTOQPFJG-BWKAKNAASA-N 257.311 0.595 10 10 CCCE NCc1ccc(N2CCCS(=O)(=O)CC2)cc1 236213915 VJMFPDKFPQGYRV-UHFFFAOYSA-N 254.355 0.770 10 10 CCCE CC(C)[C@H](NC(N)=O)C(=O)NCc1ccc(N)cc1 700724470 CWZUQSANHIHSSY-NSHDSACASA-N 264.329 0.578 10 10 CCCE C[C@@H](c1c(O)cccc1O)N1CCN(CC(N)=O)CC1 700790109 KCHJWTCMGWFCAK-JTQLQIEISA-N 279.340 0.262 10 10 CCCE O=C(O)[C@@H](F)C1CN(C(=O)Cc2ccc(O)c(O)c2)C1 2166839186 WDDJUSHBMJAGTB-LBPRGKRZSA-N 283.255 0.521 10 10 CCCE C[C@@H]1CN(C(=O)c2cccc(O)c2O)[C@@H](C(=O)O)CO1 2165801778 GMMIAKUHLPYRRV-VXNVDRBHSA-N 281.264 0.412 10 10 CCCE C[C@@]1(CN)CCN(C(=O)c2cc(O)c(O)c(O)c2)C1 2132413260 LGVVRUNEQCNDBV-ZDUSSCGKSA-N 266.297 0.614 10 10 CCCE CC(=O)C(=O)COC(=O)[C@H]1C[C@@]12C(=O)Nc1ccccc12 909964226 PURUDJIKMFNKBH-BMIGLBTASA-N 287.271 0.598 10 10 CCCE COc1cccc([C@@H](C)NCCc2nnnn2C)c1O 846146789 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NC(=O)CC1(CNC(=O)NCc2c(O)cccc2F)CC1 1252047352 OYXJLIJLWCOAHM-UHFFFAOYSA-N 295.314 0.986 10 10 CCCE CC[C@@H]1C(=O)NC(=O)CN1c1ccc(CNC)c(C)c1 97320268 CMRDLERFJJHTJA-CYBMUJFWSA-N 275.352 0.956 10 10 CCCE CC(CO)(CO)NC(=O)c1cc2cc(O)c(O)cc2s1 1447605160 CIFGJJMIZAUDGV-UHFFFAOYSA-N 297.332 0.786 10 10 CCCE COc1ccc(N2CCN(C)C[C@H]2CO)c(OC)c1 217179535 DJBSUHCLEXQOLC-NSHDSACASA-N 266.341 0.817 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3CCO[C@@H]4C[C@H]43)ccc21 2115156174 PBYKOQHHWNCXTL-UPJWGTAASA-N 259.309 0.877 10 10 CCCE COc1cc(CN(C)CC(=O)O)ccc1N1CCNCC1 212638526 JOBFUSSATSYLOG-UHFFFAOYSA-N 293.367 0.621 10 10 CCCE NC[C@@]12CN(Cc3ccc(O)cc3O)C[C@H]1CCO2 2118562935 UGEOPBFVFYOUEC-BXUZGUMPSA-N 264.325 0.647 10 10 CCCE O=C1Nc2cc(N3C[C@H]4C[C@H](O)[C@H]3C4)ccc2[C@@H]1O 2120662414 CEIKXALFFUJIJI-HPXOCHMKSA-N 260.293 0.632 10 10 CCCE C[C@@H](N)c1ccc(N2CC3(CNC(=O)N3)C2)cc1O 2121207724 CMDZFTLIFOEGOS-MRVPVSSYSA-N 262.313 0.284 10 10 CCCE C[P@]1(=O)C[C@@H](N)[C@@H](NC(=O)c2cccc(O)c2O)C1 2121480128 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CN[C@@H]1C(=O)Nc2cc(N3CCNC(=O)CC3)ccc21 108781965 QLSGCGWNXJGRPQ-ZDUSSCGKSA-N 274.324 0.226 10 10 CCCE O=C(NCc1ccccc1O)C1[C@@H]2CS(=O)(=O)C[C@@H]12 1969154701 QJHNPCLMXNMQCO-NXEZZACHSA-N 281.333 0.299 10 10 CCCE CCOC(=O)[C@@H](NC=O)[C@H](O)c1ccc(N(C)C)cc1 1917188862 ZZYVHMLWCGJMEV-QWHCGFSZSA-N 280.324 0.464 10 10 CCCE COc1ccc(N2CCCN(CCO)CC2)c(N)c1 227228447 SEQKZJUDLOXZQS-UHFFFAOYSA-N 265.357 0.782 10 10 CCCE CN(C)[C@H]1COC[C@H]1CNCc1ccc(O)c(O)c1O 1924719339 RFXRZMHBVMBMCW-MNOVXSKESA-N 282.340 0.470 10 10 CCCE O=C(O)[C@H]1C[C@H](O)CCN1Cc1cc(F)ccc1O 2136386575 JSFFBQPLXYQXTP-GHMZBOCLSA-N 269.272 0.941 10 10 CCCE COC[C@](C)(CO)CNC(=O)c1ccc(O)c(O)c1 1926969642 ZHZDUOCXQGSVQT-ZDUSSCGKSA-N 269.297 0.473 10 10 CCCE COc1cccc(O)c1CNC[C@@H]1C[C@@H](CO)CO1 1967895572 PFJNMDHMELHYKR-QWRGUYRKSA-N 267.325 0.888 10 10 CCCE COc1cc(N2C[C@@H](CO)C[C@H]2CO)ccc1CN 2139703686 BNAYNTGFRJUCRF-GWCFXTLKSA-N 266.341 0.333 10 10 CCCE CN(C[C@H]1CCCCN1)C(=O)c1cc(O)nc(O)c1 234277642 JEFRFUDEJKOMCO-SNVBAGLBSA-N 265.313 0.707 10 10 CCCE CO[C@H](C[C@@H](N)Cc1ccc(O)c(O)c1)C(=O)O 1951994653 WCXAJVFCULXCKU-GZMMTYOYSA-N 255.270 0.457 10 10 CCCE CCN(c1ccc(CN)cc1)[C@H](C)C(=O)NC(=O)NC 34654530 FKKOCIXBDOYEJT-SNVBAGLBSA-N 278.356 0.816 10 10 CCCE O=C(O)[C@H]1C[C@H](O)CN(C(=O)c2ccc(O)c(O)c2)C1 401947474 JVMMIQOXEDYMSX-IUCAKERBSA-N 281.264 0.005 10 10 CCCE COC[C@]1(NC(=O)c2cccc(O)c2O)CCCNC1 2157563606 VXNKNANDLSCKFN-AWEZNQCLSA-N 280.324 0.596 10 10 CCCE [N-]=[N+]=NCCNC(=O)[C@@H]1CCCN1c1ncccn1 701333389 VWZZOZLZVNHIAE-VIFPVBQESA-N 261.289 0.872 10 10 CCCE CON(C)C(=O)CNCc1ccc(F)c(F)c1O 703368010 XKRASPMWZQFPHO-UHFFFAOYSA-N 260.240 0.780 10 10 CCCE CC1(C)COc2ccc(N3CCNC[C@H]3C(N)=O)cc21 2162633563 ZOISAMVIYWZLDS-LBPRGKRZSA-N 275.352 0.620 10 10 CCCE COc1cccc(O)c1CN1CC([C@@H](OC)C(=O)O)C1 2172355040 CELMAHAKZQALFL-CYBMUJFWSA-N 281.308 0.932 10 10 CCCE Oc1ccc(CNCCn2cnnc2)c(O)c1O 381829105 WIDRUUICZDXVCS-UHFFFAOYSA-N 250.258 0.185 10 10 CCCE CCn1cc([C@H](NCCN=[N+]=[N-])C(=O)OC)nn1 714417243 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Nc1ccc(CCCN2C[C@@H]3C[C@H](C2)[C@@H](O)[C@@H]3O)cc1 2182547568 MBRKVUOTUVGYRX-OCVGTWLNSA-N 276.380 0.875 10 10 CCCE C[C@@H]1C[C@@H](CNC(=O)c2cc(O)nc(O)c2)CN1 2042394337 RJQHBGXXPNMATF-HTQZYQBOSA-N 251.286 0.221 10 10 CCCE CC1CC(CN)(NC(=O)c2ccc(O)c(O)c2)C1 2045112645 UWIDCMFEJRLJOT-UHFFFAOYSA-N 250.298 0.955 10 10 CCCE C[C@@H](O)C[C@H]1COCCN1C(=O)c1ccc(O)c(O)c1 2185337753 PDKDACWFJQKFHQ-KOLCDFICSA-N 281.308 0.710 10 10 CCCE N[C@]1(C(=O)C(=O)C[C@H]2C[C@H](N)C2)CCC[C@@H]2C[C@H]21 2049782885 OCVJYMRUVHIPTN-GOBQNSBTSA-N 250.342 0.770 10 10 CCCE COC(=O)[C@](C)(CS(C)(=O)=O)NCCCN=[N+]=[N-] 2050965790 ICOWSJOWYLZBTI-VIFPVBQESA-N 278.334 0.253 10 10 CCCE CN(C[C@]1(O)CCOC1)c1ccc([N+](=O)[O-])c(CO)c1 2185949524 CAPIDCCFPRNDHH-CYBMUJFWSA-N 282.296 0.675 10 10 CCCE Nc1ccc(CCNC2[C@@H]3CS(=O)(=O)C[C@@H]23)cc1 2054298814 LZCDPKQTYXVGJC-VXGBXAGGSA-N 266.366 0.444 10 10 CCCE O=C(c1cccc(O)c1O)N1C[C@@H](F)[C@H](CO)C1 2056998364 LHYWJGZCDYODDC-IONNQARKSA-N 255.245 0.500 10 10 CCCE CO[C@@H]1CN[C@H](CNC(=O)CCc2ccc(N)cc2)C1 2191664776 ZJYOBVKRROZBFT-KBPBESRZSA-N 277.368 0.695 10 10 CCCE CC1(NC(=O)c2cc(O)c(O)c(O)c2)CC(O)C1 2068565672 DQZCMLUOIYEVLP-UHFFFAOYSA-N 253.254 0.447 10 10 CCCE CC(C)(NC(=O)c1cc(O)c(O)c(O)c1)C(N)=S 2068619056 WHVHJCGUHCWZSA-UHFFFAOYSA-N 270.310 0.598 10 10 CCCE C[C@H](CN)CN(C)C(=O)c1cc(O)c(O)c(O)c1 2068625416 YBDAXQVPEJIVMF-SSDOTTSWSA-N 254.286 0.470 10 10 CCCE O=C(N[C@@H](CO)C[C@@H]1CCOC1)c1cc(O)nc(O)c1 2195492742 MJHVWUVFPNYKOA-WCBMZHEXSA-N 282.296 0.010 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CCN[C@@H]3C[C@H]32)cc1 2071733831 LFAHNMDMCDWULP-VXGBXAGGSA-N 267.354 0.145 10 10 CCCE CS(=O)(=O)[C@H]1CNC[C@@H]1Nc1c(N)cccc1F 2072526630 QIERLGNLAWHCKS-UWVGGRQHSA-N 273.333 0.205 10 10 CCCE O=C(O)C1(CO)CN(Cc2cc(Cl)ccc2O)C1 2081032465 KDGWNVAWGFHIIG-UHFFFAOYSA-N 271.700 0.925 10 10 CCCE O=C(O)[C@H]1C=CCN(C(=O)c2cccc(O)c2O)C1 2103553447 NSJNESDDSSEWMO-QMMMGPOBSA-N 263.249 0.811 10 10 CCCE Cc1ccc(CNC2CN(CC(=O)O)C2)c(O)c1 2084074627 AKUIUVIZEVYHKH-UHFFFAOYSA-N 250.298 0.559 10 10 CCCE CN1CCc2cc([C@H](Cn3cncn3)NN)ccc21 2106853570 SGPQRCCGNNJFER-LBPRGKRZSA-N 258.329 0.475 10 10 CCCE CON(CC(=O)Nc1ccc(N)cc1)[C@@H]1CCOC1 2108473111 AJQPFJQGVKIIBO-GFCCVEGCSA-N 265.313 0.860 10 10 CCCE CN(C)c1ccc([C@H](O)[C@]2(C(=O)O)CCNC2)cc1 2108575265 XPUBMVNMVYWXEX-JSGCOSHPSA-N 264.325 0.850 10 10 CCCE CNC1(C(N)=O)CN(c2ccc3c(c2)CCCO3)C1 2109485699 OZQBXYSTJBZOHK-UHFFFAOYSA-N 261.325 0.275 10 10 CCCE Cc1cc(N2C[C@]3(CO)C[C@@]3(CO)C2)ccc1CO 2090116075 KYLUEXGIKOLJOG-GJZGRUSLSA-N 263.337 0.668 10 10 CCCE CO[C@H]1CN(C(=O)c2ccc(O)c(O)c2)CC[C@@H]1O 2090576089 LBRSRKDPGPVFHZ-JQWIXIFHSA-N 267.281 0.320 10 10 CCCE CCN(c1ccc(CN)cc1)[C@@H]1CC(=O)N(C)C1=O 2096079632 CTOCITPRYOTJAU-GFCCVEGCSA-N 261.325 0.729 10 10 CCCE CN1CCO[C@H]2CN(c3ccc(CN)cc3F)C[C@H]21 2097701814 CUQIKBADDVUSRA-KGLIPLIRSA-N 265.332 0.804 10 10 CCCE CCNC(=O)NC(=O)CN1CCC[C@H](N=[N+]=[N-])CC1 2099330406 WQAGVHGIUDZNJY-VIFPVBQESA-N 268.321 0.997 10 10 CCCE CN1C(=O)N[C@H]2CN(c3ccc(CN)cc3)CC[C@@H]21 2114816025 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CCCE CN1CCCc2cc(N3C[C@@H](N)C[C@H](O)C3)ccc21 2111816400 QWMPZNSVCZJYNN-JSGCOSHPSA-N 261.369 0.967 10 10 CCCE CN(CCCN=[N+]=[N-])C(=O)[C@H]1CCc2nncn2C1 2103649599 RUROWXFRZJWQPF-VIFPVBQESA-N 263.305 0.999 10 10 CCCE c1cc2c(cc1CNC[C@@H]1CNCCOC1)CCO2 2104272105 RRCYELDJSBOSJF-ZDUSSCGKSA-N 262.353 0.947 10 10 CCCE c1cc2c(cc1N1CCO[C@@H]3CNC[C@@H]31)OCCO2 2106362062 JOQYHUVFEFSRDB-SMDDNHRTSA-N 262.309 0.635 10 10 CCCE C[C@@H]1OCCO[C@H]1CNC(=O)c1ccc(O)c(O)c1 2087416980 SAAWSFODLJZQAF-UFBFGSQYSA-N 267.281 0.632 10 10 CCCE CC[C@H]1CCN1C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 2088662226 MWTZCUHXYJGTRF-QWRGUYRKSA-N 264.325 0.979 10 10 CCCE CCOc1cccc(CN[C@@H]2C[C@@H](O)C[C@H]2O)c1O 2108797668 QFQVEEAMZUYYHV-IJLUTSLNSA-N 267.325 0.765 10 10 CCCE Nc1ccc(OCC(=O)N2C[C@@H](O)C3(CC3)C2)cc1 2093342336 XEIPQWDEQLHAFL-GFCCVEGCSA-N 262.309 0.631 10 10 CCCE COc1ccc([C@@H](C)N[C@@H](C)CS(N)(=O)=O)c(O)c1 2096643889 QIZSFMWMEBSEML-DTWKUNHWSA-N 288.369 0.728 10 10 CCCE Oc1ccc(-c2nc(Cn3nccn3)no2)cc1O 2096842958 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270.354 0.862 10 10 CCCE CNCc1ccc(N2C[C@@H]3C[C@H]2[C@@H](O)[C@@H]3O)c(C)c1 2329327178 WSVUQBRSJTWZLL-SPWCGHHHSA-N 262.353 0.645 10 10 CCCE O=C(NC[C@H]1NC[C@@H]2C[C@H]12)c1cc(O)c(O)c(O)c1 2332565781 WERNNYSLGVFXTG-XHNCKOQMSA-N 264.281 0.141 10 10 CCCE CS(=O)(=O)[C@@H]1CC[C@](NCCCN=[N+]=[N-])(C(N)=O)C1 2336495421 VNOHRGHNERQVRG-PSASIEDQSA-N 289.361 0.098 10 10 CCCE COc1ccc(N2CC[C@@H]([C@H](N)C(=O)O)C2)cc1OC 107938179 MFKVKUXNRMGHBC-RNCFNFMXSA-N 280.324 0.942 10 10 CCCE COc1ccc(O)c(CNC(=O)[C@H]2CCN(C(C)=O)C2)c1 175380005 AVQPFULEMKJFBZ-NSHDSACASA-N 292.335 0.885 10 10 CCCE O=C(O)CN(CC(=O)O)Cc1cccc(O)c1O 37630536 TXFLZOHBLQFEPD-UHFFFAOYSA-N 255.226 0.069 10 10 CCCE C[C@@H](CCO)CCNC(=O)c1cc(O)c(O)c(O)c1 2132348689 QRBYDONABDCSEB-MRVPVSSYSA-N 269.297 0.942 10 10 CCCE O=C(NC[C@H]1CC[C@@H](O)C1)c1ccc(O)c(O)c1 236548213 RIIMIARIAGPDAO-WCBMZHEXSA-N 251.282 0.989 10 10 CCCE Nc1ccc(OCCN2C[C@@H](CO)[C@H](CCO)C2)cc1 2149906989 CECFHMNAXFGYRB-OLZOCXBDSA-N 280.368 0.570 10 10 CCCE CN[C@@H](c1ccc(N(C)C)cc1)[C@@H](O)c1cnn(C)n1 2163144273 LWLWQRSBLPMLQN-KBPBESRZSA-N 275.356 0.875 10 10 CCCE CO[C@@]1(C(=O)NCc2cc(N)ccc2O)CCCOC1 2166117699 FTMBRIGRTKLUMC-AWEZNQCLSA-N 280.324 0.786 10 10 CCCE CC(=O)C(=O)COC(=O)Cn1cnc(-c2ccccc2)n1 808530754 DKNIUXIIIJUGEH-UHFFFAOYSA-N 287.275 0.646 10 10 CCCE CSc1ncc(CNC[C@@H]2CNCCO2)s1 2243827348 SOICHDWFNNGMTA-QMMMGPOBSA-N 259.400 0.943 10 10 CCCE Nc1ccc(NC(=O)N[C@]2(CO)CCCNC2)cc1 1876171708 PCPKHDUVYAQFHG-CYBMUJFWSA-N 264.329 0.505 10 10 CCCE O=C(Cc1nc(C2CC2)n[nH]1)NCc1ccc(O)c(O)c1 1137443654 XRUVXFMBGOIOSG-UHFFFAOYSA-N 288.307 0.952 10 10 CCCE CC(=O)N1CCN(c2cc3c(cc2N)OCCO3)CC1 19868386 GJYJDXKXHHOHGY-UHFFFAOYSA-N 277.324 0.709 10 10 CCCE COc1cccc([C@@H]2C=C(C(=O)O)NC(=S)N2)c1O 76260360 OSBXKWLGFRCKOZ-ZETCQYMHSA-N 280.305 0.888 10 10 CCCE N[C@@H](c1nnc([C@H]2CCCN2)o1)c1ccc(O)cc1O 83547321 MRCDAUSBHWNYHT-MWLCHTKSSA-N 276.296 0.953 10 10 CCCE Nc1ccc(NC(=O)N[C@H]2CCC(=O)NC2=O)cc1 90018103 UPBSUUMLJPCCPV-VIFPVBQESA-N 262.269 0.196 10 10 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260.293 0.632 10 10 CCCE COc1ccc(N2C[C@@H](C)N(C)C(=O)[C@H]2CO)cc1 217094656 FIPPSZJUILNFLN-ZWNOBZJWSA-N 264.325 0.723 10 10 CCCE CCOC(=O)C1CN(C(=O)Cc2ccc(N)cc2)C1 2117773804 MMAFKUXVRHNHND-UHFFFAOYSA-N 262.309 0.833 10 10 CCCE CN(C(=O)CN1CC=C[C@@H]1CO)c1ccc(N)cc1 2119814439 CRFWJJIZFDRDMJ-CYBMUJFWSA-N 261.325 0.464 10 10 CCCE CN1CCc2cc(N3CC[C@@H](CO)[C@H](N)C3)ccc21 2122374004 HADAUXIPENWGNY-GXTWGEPZSA-N 261.369 0.825 10 10 CCCE COC(=O)c1cc(C(=O)NCc2ccc(O)cc2O)no1 1639444579 QHLTZMALMNBDMO-UHFFFAOYSA-N 292.247 0.802 10 10 CCCE NC(=O)c1ccc(C(=O)NCc2c(O)cccc2F)nc1 1638862572 BRANRDCVYZRXTB-UHFFFAOYSA-N 289.266 0.955 10 10 CCCE O=C1NCC2(CN(C(=O)c3cccc(O)c3O)C2)O1 1639528370 ZJUQGAUVAHDTBI-UHFFFAOYSA-N 264.237 0.032 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CC[C@H](O)[C@H](O)CC1 1635247901 OARZVFLNLDBPDI-ZSBIGDGJSA-N 295.335 0.421 10 10 CCCE Cn1c(C(=O)NCc2ccc(O)cc2O)cnc1O 1639444344 IFGAQHQTNSGINP-UHFFFAOYSA-N 263.253 0.467 10 10 CCCE C[C@H](O)c1ccc(N2C[C@@H](O)[C@H](O)C2(C)C)cc1O 2124799963 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COC[C@]1(O)CCN(c2ccc(CN)c(OC)c2)C1 2139687200 MGNZSSFXWZWVJF-AWEZNQCLSA-N 266.341 0.742 10 10 CCCE NC(=O)[C@@H]1C[C@@H](N)CN(Cc2ccc(F)cc2O)C1 2139767443 MQEALSVPOOOFTJ-MWLCHTKSSA-N 267.304 0.166 10 10 CCCE CCO[C@@H]1C[C@H](N)[C@@H]1NC(=O)c1ccc(O)c(O)c1 233754598 WVWVYDVQDBTAFY-AXTRIDKLSA-N 266.297 0.332 10 10 CCCE O=C(O)CC(CC(=O)O)c1cc(O)c(O)c(O)c1 1951702900 LKIMXFPOYOVXNX-UHFFFAOYSA-N 256.210 0.836 10 10 CCCE CCOC(=O)[C@@H](N)C1(c2cc(O)nc(O)c2)CC1 1952887091 CJKVYSQZJSQANR-SNVBAGLBSA-N 252.270 0.415 10 10 CCCE NCC1CC(NC(=O)Cc2ccc(O)c(O)c2)C1 1971430524 AFOAOLWYIBAVJS-UHFFFAOYSA-N 250.298 0.494 10 10 CCCE C[C@]1(C2CC2)CNCCN1C(=O)c1cc(O)nc(O)c1 2151099725 GERMVCCQTFRAMC-CQSZACIVSA-N 277.324 0.707 10 10 CCCE CN(C(=O)CN1C(=O)CCCC1=O)c1ccc(N)cc1 35326992 WPZHQAVIFNNQLH-UHFFFAOYSA-N 275.308 0.771 10 10 CCCE Nc1ccc(NC(=O)CCN2C[C@@H]3C[C@@]3(CO)C2)cc1 2146311754 URMAGNRVSNPRIC-NHYWBVRUSA-N 275.352 0.912 10 10 CCCE C[C@@H]1C[C@@H]1S(=O)(=O)NCc1cc(N)ccc1O 1999951523 CYTUAVXOOMWVLM-HQJQHLMTSA-N 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JDJRTXDEEPYXCH-MGCOHNPYSA-N 299.348 0.332 10 10 CCCE CN(C)c1ccc(C=CC(=O)N[C@@H]2CNC[C@H]2O)cc1 1911900945 OAXBKCHXAFJVJQ-ZIAGYGMSSA-N 275.352 0.215 10 10 CCCE CS(=O)(=O)CC(=O)N1CCCC[C@@H](CN=[N+]=[N-])C1 1912161906 OTVNFCPPAPDGSD-VIFPVBQESA-N 274.346 0.970 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN(C(=O)CCn2cnnn2)C1 1912205210 NNIOHTQOHVLSKI-SECBINFHSA-N 264.293 0.612 10 10 CCCE N[C@H](CCC(=O)Nc1ccc(O)c(O)c1)C(=O)O 13308932 HJLNKWYSKFDHDG-SSDOTTSWSA-N 254.242 0.228 10 10 CCCE endogenous,in-man Nc1ccc(CCC(=O)N2CCO[C@H](CC(=O)O)C2)cc1 158174420 QISFERKQCIOMKU-CYBMUJFWSA-N 292.335 0.904 10 10 CCCE CN[C@@H]1CCc2cc(N3C[C@@H](O)C[C@H](O)C3)ccc21 2128294317 KIFURMGGFNVSJJ-KCQAQPDRSA-N 262.353 0.825 10 10 CCCE COc1ccc(N(C)C[C@@H](N)CN)c(OC)c1C 258988139 MKXUQHDBFFOIHN-JTQLQIEISA-N 253.346 0.734 10 10 CCCE Cn1ccc(CNC(=O)c2cc(O)c(O)c(O)c2)n1 2132348568 OHAOXTNSRGRIIC-UHFFFAOYSA-N 263.253 0.467 10 10 CCCE Nc1ccc(O)c(CN2[C@H]3CC[C@H]2[C@H](O)[C@H](O)C3)c1 2133908579 IEHGJSOTBHHWFF-VTPLQMEGSA-N 264.325 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ZILIGQUADQGPKS-ZIAGYGMSSA-N 275.308 0.852 10 10 CCCE CN(C)c1ccc(CN2C[C@H](N)C[C@@H](C(N)=O)C2)cc1 2151042139 RYARVAPLUWKBCN-CHWSQXEVSA-N 276.384 0.387 10 10 CCCE Nc1onc2c1CN(C(=O)c1cccc(O)c1O)CC2 2145436108 MJVUBYCYEFFLRL-UHFFFAOYSA-N 275.264 0.867 10 10 CCCE Nc1ccc(CCc2nc(C3CS(=O)(=O)C3)no2)cc1 2146088815 NFOWZNYYSIEHBH-UHFFFAOYSA-N 293.348 0.949 10 10 CCCE C[C@H](c1ccccc1O)N(C)S(=O)(=O)CCO 1996138097 PQXRSJDIAOIPAT-SECBINFHSA-N 259.327 0.707 10 10 CCCE NC(=O)[C@H]1C[C@H](N)CN(Cc2cc(F)cc(F)c2O)C1 2151022110 PPPJJPIPNMLACI-WPRPVWTQSA-N 285.294 0.305 10 10 CCCE Cc1cc(NS(=O)(=O)C2CC(O)C2)ccc1O 2005411329 QCFNQXYYIKANNC-UHFFFAOYSA-N 257.311 0.966 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CC[C@@H]2CS(=O)(=O)C[C@H]21 2151271890 IRNPCYXPTNSKTC-NXEZZACHSA-N 297.332 0.357 10 10 CCCE C[C@H](O)c1ccc(N2CC[C@@H](N3CC(O)C3)C2)cc1O 2158744983 XJMFYABITWULIU-CMPLNLGQSA-N 278.352 0.701 10 10 CCCE CC1(C)C[C@H](O)CN1c1cc2c(cc1N)OCC(=O)N2 2154826640 UFIJVMGJQCNNEG-QMMMGPOBSA-N 277.324 0.949 10 10 CCCE CN(C)C(=O)[C@H]1CCCN1C(=O)c1cccc(O)c1O 187084295 WAFJSWMSQJCJDX-SNVBAGLBSA-N 278.308 0.791 10 10 CCCE [N-]=[N+]=NCCCCNC(=O)[C@@H]1CN2CCN1CC2 2038246305 ZXHCWMZCOICWRV-JTQLQIEISA-N 252.322 0.193 10 10 CCCE NCc1ccc(N2C[C@@H](O)[C@H](CO)C2)c(F)c1F 315998998 AZSVNXVOPMVQDC-WCBMZHEXSA-N 258.268 0.213 10 10 CCCE CN[C@H](C)c1ccc(N2C[C@@H](O)[C@@H](CO)C2)c(F)c1 316267647 BHHHMAWPEJHDMF-GLXFQSAKSA-N 268.332 0.896 10 10 CCCE COc1cccc(CNCCN2CCC(O)CC2)c1O 321171760 JEPRHZLJPUETFA-UHFFFAOYSA-N 280.368 0.947 10 10 CCCE CN(C)c1ccc(CN2C(=O)[C@H]3CC[C@@H](N3)C2=O)cc1 2160466646 XPPXQRLZLOBUCX-CHWSQXEVSA-N 273.336 0.742 10 10 CCCE Cc1cc(N(C)C[C@@H](O)CN(C)C)ccc1CO 708531106 OOJDYOOUCSFIGS-AWEZNQCLSA-N 252.358 0.846 10 10 CCCE C[C@@H]1C[S@](=O)CCN1c1ccc2c(c1)N(C)C(=O)[C@H]2N 2171963081 IHKNVXZPSPLJRM-OUWCAGMASA-N 293.392 0.620 10 10 CCCE CCCN(Cc1ccc(N)cc1)C(=O)CNS(C)(=O)=O 383699360 ARNKBWNSZFUYOX-UHFFFAOYSA-N 299.396 0.557 10 10 CCCE C[C@]1(CO)CCN(C[C@@H](O)COc2ccc(N)cc2)C1 394453287 HYWURLGOQUTAMW-HIFRSBDPSA-N 280.368 0.713 10 10 CCCE NCc1ccc(N2CC[C@H](O)[C@@H](CO)C2)c(Cl)c1 396897494 UOGQQURCQZYASQ-MFKMUULPSA-N 270.760 0.978 10 10 CCCE CO[C@@H]1C[C@@H](O)CN(C(=O)COc2ccc(N)cc2)C1 2165322490 KWACNMMQQAZDFO-DGCLKSJQSA-N 280.324 0.256 10 10 CCCE COC1CCN(C(=O)c2cnn3c(O)cc(C)nc23)CC1 2062831464 BAEDILSIQGJSFK-UHFFFAOYSA-N 290.323 0.994 10 10 CCCE COc1ccc(N2CCOCC23CNC3)c([N+](=O)[O-])c1 2167624151 KSLPYVVSNVAQOC-UHFFFAOYSA-N 279.296 0.782 10 10 CCCE O=C(c1cccc(O)c1O)N1C[C@@H]2OC[C@H](CO)[C@@H]2C1 2178146282 HRGDJGQODRJTIW-PEXQALLHSA-N 279.292 0.177 10 10 CCCE Nc1ccc(CCCN2CCO[C@@H]3[C@@H](C(=O)O)[C@@H]32)cc1 2179656583 BQUHWLXSWUEGGI-MELADBBJSA-N 276.336 0.985 10 10 CCCE C[C@@H](N[C@H]1CCN(CC(=O)O)C1)c1ccc(O)cc1O 2169332214 SUDYDVVEFSCPAG-ZJUUUORDSA-N 280.324 0.907 10 10 CCCE Nc1ccc(CC(=O)NCC[C@H]2CCNC(=O)C2)cc1 2182204471 RTBBSADSEQGMKI-LBPRGKRZSA-N 275.352 0.844 10 10 CCCE CNCC[S@@](C)(=O)=NC(=O)c1ccc(O)c(O)c1 2042954078 LASPSTLPOBSKAL-GOSISDBHSA-N 272.326 0.555 10 10 CCCE C[C@](CN)(NC(=O)c1ccc(O)c(O)c1)C(F)F 2043171233 KWHLTNRDIFBQIU-LLVKDONJSA-N 260.240 0.810 10 10 CCCE CCNCc1ccc(N2CC(O)(CO)C2)c(Cl)c1 2051894561 LITRLGZQNBYIRB-UHFFFAOYSA-N 270.760 0.993 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@H]3COC[C@H]32)cc1 2066308880 JUKRCXVRXHFOOY-CMPLNLGQSA-N 268.338 0.429 10 10 CCCE CN1C[C@H](N(C)c2ccc(CN)cc2F)CC1=O 2068214528 LGUNTTIAAVPFRP-SNVBAGLBSA-N 251.305 0.951 10 10 CCCE C[C@@H](O)c1cc(F)c(N2CCNC(=O)C2)c(F)c1 2074080586 IJOJJCRCCOUJQS-SSDOTTSWSA-N 256.252 0.954 10 10 CCCE Oc1ccc(CN[C@@]23COC[C@H]2C3(F)F)c(O)c1O 2105564355 SKYBTECMQUAQAV-KCJUWKMLSA-N 273.235 0.927 10 10 CCCE Nc1ccc(CC(=O)CS(=O)(=O)N2CCCC2)cc1 2089481307 QDSJLVPQKFQKRQ-UHFFFAOYSA-N 282.365 0.806 10 10 CCCE Cc1cc(CO)ccc1N1CCOC[C@@H]1[C@@H](O)CO 2090137945 FFFJBYOVHGXFNU-KGLIPLIRSA-N 267.325 0.046 10 10 CCCE C[C@H]1CCN(C(=O)Cc2ccc(N)cc2)[C@@H]1C(N)=O 2090253118 INMSCYQQZVUJOI-ZANVPECISA-N 261.325 0.534 10 10 CCCE C[C@H](c1ccccc1O)N(C)C(=O)CC1(O)CNC1 2110662045 WBXRAIZZSMBNFY-SNVBAGLBSA-N 264.325 0.636 10 10 CCCE O=C1Nc2cc(N3C[C@@H]4[C@@H](CO)[C@@H]4C3)ccc2[C@@H]1O 2090733560 AJNZPFDJRFXQPW-WGBDABJCSA-N 260.293 0.347 10 10 CCCE Nc1cc(O)ccc1NS(=O)(=O)N1C[C@@H]2CC[C@H]2C1 2092890004 HYNVAMOAMGIZIV-IUCAKERBSA-N 283.353 0.973 10 10 CCCE NC1CN(C[C@H](O)c2ccc(N3CCCC3)cc2)C1 2112981598 UATHIBMLISOUSZ-HNNXBMFYSA-N 261.369 0.963 10 10 CCCE [N-]=[N+]=NC[C@H]1CCN(CC2(O)CCS(=O)(=O)CC2)C1 2113345859 DLBZROYQBMFTFS-SNVBAGLBSA-N 288.373 0.558 10 10 CCCE N=c1nnc(OC[C@H](NCc2ccccc2)C2CC2)n[nH]1 2209555313 BXMUZYAPQHORIS-LBPRGKRZSA-N 286.339 0.626 10 10 CCCE COc1ccc(N2CC[C@H]3C[C@H]2[C@@H](O)[C@@H]3O)c(CO)c1 2235956637 YQHNHZWOYGEPEZ-ISGRIPCHSA-N 279.336 0.508 10 10 CCCE COc1ccc(N2C[C@H](O)[C@@H](O)C2)c(CNC2CC2)c1 2235966673 WJOHCKWATRBQRK-GJZGRUSLSA-N 278.352 0.489 10 10 CCCE COc1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CF)c(F)c1F 2226921601 GZEXVTKJEHFOCB-UBJUHAIHSA-N 277.242 0.853 10 10 CCCE O=C(NCc1[nH]ccc(=O)c1O)c1cccc(O)c1O 2239275476 URLHDAPBCFTKRN-UHFFFAOYSA-N 276.248 0.422 10 10 CCCE Cc1cc([C@H](C)N)ccc1N1CC(O)(CCO)C1 2258305254 QZQXSOVDZUAPOX-NSHDSACASA-N 250.342 0.948 10 10 CCCE CSc1ncc(CN[C@@H](C)C(=O)NC(N)=O)s1 2248642077 MQJFCRAUJDKRNN-YFKPBYRVSA-N 274.371 0.538 10 10 CCCE COc1cc(OC)c(N2C[C@H](O)[C@@H](CO)C2)c(OC)c1 2287070087 SHNFZCFFJJAOKA-KOLCDFICSA-N 283.324 0.502 10 10 CCCE CN(C)C(=O)[C@H]1C=CCN1Cc1cc(N)ccc1O 2265520796 LQKGGOARJWUAMY-GFCCVEGCSA-N 261.325 0.803 10 10 CCCE COC(=O)[C@H](NCCN=[N+]=[N-])c1cnc(OC)nc1 2266810398 WUQXAGHFDFIKLH-MRVPVSSYSA-N 266.261 0.599 10 10 CCCE OCc1cc(F)c(N2CC[C@H](O)[C@H](O)CC2)c(F)c1 2269125633 UWPVJDQVQLNBSA-TXEJJXNPSA-N 273.279 0.779 10 10 CCCE C[C@@H]1Cc2cc(N3C[C@H](O)[C@@H](O)[C@H](CO)C3)ccc2O1 2289330726 MLROGVBNAXCWFX-XECBFPEOSA-N 279.336 0.160 10 10 CCCE CC1(C)C(=O)NCCN1C[C@H](O)COc1ccc(N)cc1 110652550 SKNKJDVZFSCENH-LBPRGKRZSA-N 293.367 0.219 10 10 CCCE CN[C@@H](C)c1ccc(N2C[C@H](N(C)C)[C@H](O)C2)cc1O 2357333424 JGOFOLGXKJMIPS-VZJVUDMVSA-N 279.384 0.784 10 10 CCCE CNC(=O)[C@@H]1CCCN1c1ccc(CN)cc1F 44412390 GULGXJQHFRECSF-LBPRGKRZSA-N 251.305 0.999 10 10 CCCE O=C(NC[C@H]1CCC[C@H]1O)c1ccc(O)c(O)c1 226998210 CSONVUSDIKMGRI-NXEZZACHSA-N 251.282 0.989 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CC[C@@]12CCOC2 2132414683 ZHAIZGNSZVDWJK-ZDUSSCGKSA-N 265.265 0.808 10 10 CCCE CN(C)c1ccc(/C=C\C(=O)NCC2(O)CNC2)cc1 706103777 VBSAPXFPQJPUDC-YVMONPNESA-N 275.352 0.216 10 10 CCCE NC[C@H]1CCN(C(=O)NCCc2ccc(O)c(O)c2)C1 2164892432 RMDVUJQHDHTIJO-LLVKDONJSA-N 279.340 0.631 10 10 CCCE CCCN(CC(N)=O)c1ccc2c(c1)N(C)C(=O)[C@@H]2N 723167559 QUUNRVNMUCFSFJ-CYBMUJFWSA-N 276.340 0.365 10 10 CCCE O=c1oc2ccc(Cl)cc2n(OCCO)c1=O 821296425 CDABVMCUYOCCEG-UHFFFAOYSA-N 257.629 0.029 10 10 CCCE CCN[C@H]1C(=O)Nc2cc(N(C)CCC(N)=O)ccc21 723151247 WSWJZTYDWLUKAO-CYBMUJFWSA-N 276.340 0.601 10 10 CCCE COCCNC(=O)CN1CCOc2cc(CN)ccc21 74338239 OOMXJBXPIRUUNP-UHFFFAOYSA-N 279.340 0.107 10 10 CCCE COCCc1nnc([C@@H](N)c2ccc(O)cc2O)o1 83480971 BIMAGYJLTQRQQK-NSHDSACASA-N 265.269 0.718 10 10 CCCE O=C(O)C(=O)CC[C@H]1NCCc2cc(O)c(O)cc21 83723874 CLPYSWPDQVWSHV-SECBINFHSA-N 265.265 0.719 10 10 CCCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)N[C@H]2CCS(=O)(=O)C2)C1 1893243408 LOFUZZWAUPRNMA-BDAKNGLRSA-N 287.345 0.658 10 10 CCCE C[C@]1(O)CCN(c2ccc3c(c2)CC[C@H]3N)C[C@@H]1O 1893303475 ZMNLCSURRLQMKW-ILXRZTDVSA-N 262.353 0.955 10 10 CCCE CC[C@](C)(CO)NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 80886220 DXXVYJVOIJLUCN-IINYFYTJSA-N 282.340 0.245 10 10 CCCE CCn1nnnc1COC(=O)COc1ccc(N)cc1 698168020 WLMHFFASTWERBL-UHFFFAOYSA-N 277.284 0.397 10 10 CCCE O=C(NC[C@@H]1CCC[C@H]1C(=O)O)c1cc(O)nc(O)c1 89405823 APUMXAUSGNFBMV-IONNQARKSA-N 280.280 0.724 10 10 CCCE CCOc1cccc(CNCCc2nnnn2C)c1O 771875164 DUALRGIASXICPW-UHFFFAOYSA-N 277.328 0.647 10 10 CCCE O=C(CCN1C(=O)CSC1=S)N1CCCC1 1865766113 WZGYELIBWCACNN-UHFFFAOYSA-N 258.368 0.859 10 10 CCCE O=C(NCc1c(O)cccc1O)c1ccc(CO)nc1 1472063347 IODUHBDMMHHZPI-UHFFFAOYSA-N 274.276 0.915 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@@H](n2cncn2)C1 1556270385 RGHDXERXJKHNNC-LLVKDONJSA-N 288.307 0.705 10 10 CCCE Cc1c(CNC(=O)Cc2ccc(O)c(O)c2)cnn1C 1598340957 YBNVYOYOUKBRJH-UHFFFAOYSA-N 275.308 0.999 10 10 CCCE CC(=O)c1cn(CC(=O)NCc2ccccc2O)nn1 1595792789 NWDYVWBEMRTZON-UHFFFAOYSA-N 274.280 0.503 10 10 CCCE Cc1cc(N2C[C@@H]3C[C@H](C2)[C@@H](O)[C@@H]3O)ccc1CO 2126155676 JQEUUCQZEDNDFQ-AYRXBEOTSA-N 263.337 0.665 10 10 CCCE C[C@@](NCCCN=[N+]=[N-])(C(N)=O)[C@@H]1CCCCN1 1912187616 IPXMDENUVUTTBF-ONGXEEELSA-N 254.338 0.663 10 10 CCCE O=C1CCC2(CN(C(=O)Cc3ccc(O)c(O)c3)C2)N1 1965437299 KGGMDNPUBFEGOF-UHFFFAOYSA-N 276.292 0.131 10 10 CCCE Cc1ccccc1CNC(=O)C[C@H]1C(=O)NN(C)C1=O 169995653 RLPIQPPIXLCYAT-NSHDSACASA-N 275.308 0.121 10 10 CCCE CC(C)CNC(=O)NC(=O)CN1CC[C@H](N=[N+]=[N-])C1 1912206184 FEUUUKMBKOLNRD-VIFPVBQESA-N 268.321 0.853 10 10 CCCE C/C=C\C(=O)NCc1nnnn1-c1ccc(OC)cc1 9570356 DSDCECFICCOUOO-ARJAWSKDSA-N 273.296 0.863 10 10 CCCE COc1ccc(N2CC[C@](N)(C(=O)O)C2)c(OC)c1 259385454 QKTHZLYPDCBGBB-CYBMUJFWSA-N 266.297 0.696 10 10 CCCE COc1ccc(N(C)C(=O)C2=C[C@H](O)[C@H](N)C2)cc1 2131474004 GNMUKYHJRXSHEX-OLZOCXBDSA-N 262.309 0.676 10 10 CCCE NC[C@@H](NC(=O)Cc1ccc(N)cc1)C(F)(F)F 848436313 NBLVQNKCHUJBPY-SECBINFHSA-N 261.247 0.817 10 10 CCCE O=C(NCCCN1CCOCC1)c1ccc(O)c(O)c1 226951375 SXOAQZLAJCNDMG-UHFFFAOYSA-N 280.324 0.550 10 10 CCCE COC(=O)[C@H]1CN(C(=O)c2ccc(O)c(O)c2)C[C@@H]1C 227039026 HZBXLMFBMOWLNZ-WPRPVWTQSA-N 279.292 0.979 10 10 CCCE COc1cc(N2CCNC(=O)C[C@@H]2C)ccc1CO 2139682274 FULBWQQNVQPCPT-JTQLQIEISA-N 264.325 0.902 10 10 CCCE Nc1ccc(CN[C@@H]2CCCS(=O)(=O)C2)cc1 1944074287 FSCSVZVEIHFSEL-GFCCVEGCSA-N 254.355 0.936 10 10 CCCE Cc1nc(-c2ccc(O)c(O)c2)[nH]c(=O)c1CCO 235952514 ARLANDZZADTWHN-UHFFFAOYSA-N 262.265 0.691 10 10 CCCE O=C(NC[C@@H]1CC[C@H](C(=O)O)O1)c1ccc(O)c(O)c1 236450463 JIFVDCSOGNHWGT-GZMMTYOYSA-N 281.264 0.460 10 10 CCCE CN(C(=O)CN(C)C1(C)COC1)c1ccc(N)cc1 2143203205 PLDZRJLTZPNLEG-UHFFFAOYSA-N 263.341 0.952 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CC2(CCNCC2)C1 1971196571 SVWXMBATBSIDFE-UHFFFAOYSA-N 276.336 0.852 10 10 CCCE O=C(NC[C@H]1CCCCNC1=O)c1ccc(O)c(O)c1 2144022780 GJPGVBSHBDVWEX-SNVBAGLBSA-N 278.308 0.744 10 10 CCCE COCC[C@H]1CNCCN1C(=O)c1ccc(O)c(O)c1 2144574214 SWERLWBEISAJIY-NSHDSACASA-N 280.324 0.548 10 10 CCCE CC[C@H](CO)NC(=O)c1ccn(-c2ccc(N)cc2)n1 35598922 PELHBYFECRFRNE-LLVKDONJSA-N 274.324 0.955 10 10 CCCE CCN1CCN(C[C@@H](O)COc2ccc(N)cc2)CC1 36669981 WQRUVDBJPHVEBN-CQSZACIVSA-N 279.384 0.646 10 10 CCCE CNC(=O)CN(C)[C@@H](C)C(=O)Nc1ccc(N)cc1 37269717 HWLRFVZEZTUWIX-VIFPVBQESA-N 264.329 0.274 10 10 CCCE [N-]=[N+]=NC[C@H]1CCN(S(=O)(=O)C2CC(=O)C2)C1 2005392352 DYEGAIBWYFKWPP-SSDOTTSWSA-N 258.303 0.680 10 10 CCCE COC1CC(N)(C(=O)NCCc2ccc(O)c(O)c2)C1 2151219297 FYXONONZMNBZPU-UHFFFAOYSA-N 280.324 0.263 10 10 CCCE COc1ccc(N(C)C2(CN)CS(=O)(=O)C2)cc1 2027329753 SXXYTKBCSMCUFA-UHFFFAOYSA-N 270.354 0.257 10 10 CCCE C[C@@]1(CNCc2ccc(O)cc2O)COCCO1 2028716315 VPUZCLVMLFLKGX-CYBMUJFWSA-N 253.298 0.993 10 10 CCCE CN(C)[C@H]1CN(c2ccc(CO)cc2Cl)C[C@H]1O 2029439253 VXJPDQUKPKQVFF-QWHCGFSZSA-N 270.760 0.943 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@H](O)[C@@H](F)C2)cc1 2031868168 YVQJSMZXEOSOAA-QWRGUYRKSA-N 274.317 0.113 10 10 CCCE CO[C@]1(CN)CCN(C(=O)c2ccc(O)c(O)c2)C1 402753227 BKYSAUVXABZEMZ-ZDUSSCGKSA-N 266.297 0.288 10 10 CCCE [N-]=[N+]=NC[C@H]1CCN(C(=O)[C@@H]2CCc3nncn3C2)C1 2159905993 AOAHOTGGZSHICP-NXEZZACHSA-N 275.316 0.999 10 10 CCCE CN1C(=O)[C@H](O)c2ccc(N3C[C@H]4C[C@H]3C[C@@H]4O)cc21 2172054829 BUFLJLLBCVELFW-DURYJLSESA-N 274.320 0.656 10 10 CCCE COCC1(O)CN(Cc2cc(F)cc(C(C)=O)c2O)C1 384056799 OURRUPMPGHFDRR-UHFFFAOYSA-N 283.299 0.927 10 10 CCCE C[C@H](N)c1ccc(N2C[C@H]3C(=O)NC(=O)[C@@H]3C2)cc1 387473002 UDOMQHGVXJCQMM-XXILOJSOSA-N 259.309 0.415 10 10 CCCE CNCc1ccc(N2CCOC[C@@H](O)C2)c(F)c1 399991759 PTBVKAHWDBUSBY-NSHDSACASA-N 254.305 0.743 10 10 CCCE O=C(NCC[C@H]1C[C@@H](O)C1)c1cccc(O)c1O 2071812550 YDYKMKXGZDHRHF-DTORHVGOSA-N 251.282 0.989 10 10 CCCE NC[C@@H]1C[C@@H](NC(=O)c2cc(O)nc(O)c2)C12CCC2 2175049497 VTQVVCCRDNGYKR-VHSXEESVSA-N 277.324 0.740 10 10 CCCE C[C@@H](CO)N1CCN(CCOc2ccc(N)cc2)CC1 2169362510 FGPRPCMHJZLOLJ-ZDUSSCGKSA-N 279.384 0.646 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CCC(F)(CO)CC1 2188875287 PLHSCDNDVCRVKK-UHFFFAOYSA-N 285.271 0.740 10 10 CCCE COCC(COC)N(C)C(=O)c1cc(O)c(O)c(O)c1 2188868920 ZDFNRKLJSRYSNB-UHFFFAOYSA-N 285.296 0.537 10 10 CCCE COC1(C(N)=O)CN(c2ccc3c(c2)CCC[C@@H]3O)C1 2184689397 OKXCNRXPRAIBTB-ZDUSSCGKSA-N 276.336 0.747 10 10 CCCE CN(CCN(C)S(C)(=O)=O)c1ccc2c(c1)CC[C@@H]2O 2184731282 GJDQZPYTXNFZFC-AWEZNQCLSA-N 298.408 0.994 10 10 CCCE CNC(=O)OCCNC(=O)Cc1ccc(N)cc1 2042969962 KYYKIDBSCQRPOM-UHFFFAOYSA-N 251.286 0.284 10 10 CCCE CN(C[C@H](O)CN)c1ccc2c(c1)OC(F)(F)O2 2044360968 RQAPUIODYOOVEO-MRVPVSSYSA-N 260.240 0.764 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3C[C@H]4C[C@H](O)C[C@H]4C3)ccc21 2185195683 SBCTXPBRGALYLW-SAOAKYDJSA-N 273.336 0.846 10 10 CCCE OCc1ccc(N2CC[C@@H](C(CO)CO)C2)cc1 2051112242 DIFDHFOTCNOGJM-GFCCVEGCSA-N 251.326 0.606 10 10 CCCE [N-]=[N+]=NCCCCN1CCN2C(=O)[C@H](N)C[C@H]2C1 2054252090 BAWKTHDRXPWRGT-VHSXEESVSA-N 252.322 0.321 10 10 CCCE O=C1N[C@@H]2CN(Cc3c(O)cccc3F)C[C@H]2O1 2056812905 PPQVONKNURGWLU-MWLCHTKSSA-N 252.245 0.824 10 10 CCCE CN1CCc2cc([C@H](O)[C@@](C)(N)C(=O)O)ccc21 2058158405 JWBHMIAINYIJCV-WCQYABFASA-N 250.298 0.514 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN1CC(=O)N1CCCC1=O 2059057043 CVWWKOSETKGHNY-SECBINFHSA-N 251.290 0.910 10 10 CCCE COc1ccc([C@@H](C)NCC[C@@H](O)CO)c(O)c1 2061851949 FNDXMPSCEOHZKV-NXEZZACHSA-N 255.314 0.795 10 10 CCCE CN1C[C@@H]2C[C@H]1CN2CCC(=O)Nc1ccc(N)cc1 2187561068 VPPYUSVJPPRWFA-KBPBESRZSA-N 274.368 0.986 10 10 CCCE C[C@H](N)c1cc(F)c(N(C)C(CO)CO)c(F)c1 2074222315 XGXCMMSONCHVKV-ZETCQYMHSA-N 260.284 0.774 10 10 CCCE CN1C(=O)[C@H](O)c2ccc(N3C[C@@H]4C[C@@H]4[C@@H]3CO)cc21 2199016464 RHXZTEDGHMQOPN-XBEUXYKBSA-N 274.320 0.513 10 10 CCCE Nc1ccc(CCN2CC[C@H]3C(=O)NC[C@@H]3C2)cc1 2100940252 GVBZWRJMYOBMLN-TZMCWYRMSA-N 259.353 0.879 10 10 CCCE CO[C@@H](CN)CC(=O)NCc1cccc(C)c1O 2084064188 RPOAIYIIFXQIBN-LLVKDONJSA-N 252.314 0.681 10 10 CCCE NC(=O)C1(N)CCN(c2ccc3c(c2)CCC3)CC1 2106350764 KSHIDZDRDKJJGO-UHFFFAOYSA-N 259.353 0.958 10 10 CCCE O=C1Nc2cc(N3C[C@H](O)[C@H](F)C3)c(F)cc2[C@H]1O 2092769239 ZWOAFPPORWEZIP-PPKCKEKNSA-N 270.235 0.330 10 10 CCCE CNCc1ccc(N2C[C@H]3OCCN(C)[C@@H]3C2)cc1 2097703920 UEIPJFIMZLULMI-HUUCEWRRSA-N 261.369 0.925 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CC=C(CO)CC3)ccc21 2114550012 XHSUIILWFIFZRU-ZDUSSCGKSA-N 259.309 0.767 10 10 CCCE CN[C@H](c1ccccc1O)[C@]1(O)COC2(COC2)C1 2270789229 VAIICXWIHDOPKG-TZMCWYRMSA-N 265.309 0.573 10 10 CCCE COc1ccc(N2C[C@H](O)C[C@@H](O)C2)cc1OC 2219640214 DQZAUDBCFLFBIC-GHMZBOCLSA-N 253.298 0.636 10 10 CCCE CO[C@@H]1CN(c2ccc(CN)c(C)c2)[C@H](CO)[C@H]1OC 2233356905 RECUEBSMSUWMLM-RBSFLKMASA-N 280.368 0.665 10 10 CCCE CN1N=C(C(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])CCC1=O 2225795038 KLIQLUCGBNAXLS-YUMQZZPRSA-N 264.289 0.942 10 10 CCCE CO[C@@H]1CCNC[C@H]1NC(=O)c1cccc(O)c1O 2227263852 PTLNLLQJNOQCKK-MWLCHTKSSA-N 266.297 0.205 10 10 CCCE Cc1cccc(O)c1CN1C[C@@H]2CN[C@H](CO)[C@@H]2C1 2227319715 NCVHHBOGPJNYTB-IACUBPJLSA-N 262.353 0.713 10 10 CCCE Nc1cc(NS(=O)(=O)N2C[C@H]3CC[C@@H]3C2)ccc1O 2227869239 OXEVFKRMFXPKJF-RKDXNWHRSA-N 283.353 0.973 10 10 CCCE Cc1cc(N2CC(CO)(CO)C2)ccc1[C@@H](C)O 2257467831 VQISWYXUFVFELW-LLVKDONJSA-N 251.326 0.839 10 10 CCCE COc1ccc(N2C[C@H]3C[C@H]2[C@@H](O)[C@@H]3O)c(OC)c1C 2295377274 CRBPUXWENOVBES-QEGRKFQGSA-N 279.336 0.943 10 10 CCCE COc1cc(C=C2C(=O)NC(=O)N(C)C2=O)ccc1O 2296751299 MACYTTBAYNVBAX-UHFFFAOYSA-N 276.248 0.492 10 10 CCCE CC1(C)C(=O)NCCN1C(=O)C=Cc1ccc(O)c(O)c1 2307986856 IRMFHXITMXPVBV-UHFFFAOYSA-N 290.319 0.848 10 10 CCCE NC1(CN2CCc3cc(O)c(O)cc3C2)COC1 2318671337 MODIVXRAJRKJMC-UHFFFAOYSA-N 250.298 0.184 10 10 CCCE CN[C@H](C)c1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CF)cc1 2333235524 LEERSPXPQCQOJM-JXJLXUTGSA-N 268.332 0.847 10 10 CCCE CN[C@@H](C)c1ccc(N2C[C@@H](O)[C@H](N(C)C)C2)cc1O 2353966393 JGOFOLGXKJMIPS-PSOPSSQASA-N 279.384 0.784 10 10 CCCE N[C@H](CO)c1ccc(I)cc1O 72199586 HLIMKGPHBAQWFJ-SSDOTTSWSA-N 279.077 0.989 10 10 CCCE CN(C)c1ccc(/C=C\C(=O)NC[C@H](O)C(=O)O)cc1 218123096 JRXFGNQAUMMHIM-JECSTDCCSA-N 278.308 0.328 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@H]2OCC[C@@H]2C1 2132403866 NOPILPFQXUOYPF-RDDDGLTNSA-N 265.265 0.664 10 10 CCCE C[C@H](O)CN(CCO)c1ccc(CN)cc1Cl 310409138 IOSLBWDAOQIYLH-VIFPVBQESA-N 258.749 0.978 10 10 CCCE CNC(=O)[C@@H]1CCCN1[C@@H](C)C(=O)Nc1ccc(N)cc1 220031644 NTSMPPZUENNIBR-GWCFXTLKSA-N 290.367 0.806 10 10 CCCE COc1cc2c(cc1Cl)N(CC(=O)O)CCNC2=O 527431649 SXBXLWFNHRVHJZ-UHFFFAOYSA-N 284.699 0.983 10 10 CCCE CC(=O)C(=O)COC(=O)c1cn(CC(=O)C(C)(C)C)nn1 808522773 YYGSWBDAPUROIK-UHFFFAOYSA-N 295.295 0.208 10 10 CCCE CC(=O)C(=O)COC(=O)c1nc(C)n(-c2ccccc2)n1 808516348 HPNJGEVSQQZLKC-UHFFFAOYSA-N 287.275 0.891 10 10 CCCE NC(=O)[C@@H]1CN(Cc2cc(Cl)c(F)cc2O)CCO1 295431724 TUGXDRYQUXOHLE-NSHDSACASA-N 288.706 0.871 10 10 CCCE O=S(=O)(C[C@@H]1CNCCO1)Nc1ccc(O)c(F)c1 722227042 ZEVPGAFCNZPWED-VIFPVBQESA-N 290.316 0.261 10 10 CCCE COc1ccc(N2CCN(C[C@@H](O)[C@@H](C)O)CC2)cc1 929152801 DXRMGLFFWUTPDF-IUODEOHRSA-N 280.368 0.559 10 10 CCCE CCN1CC[C@@H](OC(=O)Cc2ccc(N)cc2)C1=O 696425461 JGEBLXCXIWQQSS-GFCCVEGCSA-N 262.309 0.975 10 10 CCCE COCc1n[nH]c(CNC(=O)c2cc(O)cs2)n1 855517613 VDWZJMOLAWUWTA-UHFFFAOYSA-N 268.298 0.648 10 10 CCCE COC[C@]1(C)CN(C(=O)c2cccc(O)c2O)CCO1 863831451 GRBOHJMDKIKLRC-AWEZNQCLSA-N 281.308 0.975 10 10 CCCE COC(=O)CCCS(=O)(=O)N1Cc2cccc(O)c2C1 867690727 LFVGQLBFWASWPV-UHFFFAOYSA-N 299.348 0.991 10 10 CCCE CCS(=O)(=O)N1CC2(CN(c3ccc(N)cc3)C2)C1 953019676 SEJHYJCMMCZYSX-UHFFFAOYSA-N 281.381 0.741 10 10 CCCE CO[C@@H]1CN(c2cc3c(cc2N)OCCO3)C[C@@H]1N 1876544826 BSSFYFXWOAVDLP-TVQRCGJNSA-N 265.313 0.202 10 10 CCCE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)NCCN=[N+]=[N-] 1883272716 YTSRHAVMIFYSRZ-QMMMGPOBSA-N 287.320 0.689 10 10 CCCE COCc1nc(CNC(=O)c2cccc(O)c2O)no1 1963456170 DXJQTFLVDDOOJF-UHFFFAOYSA-N 279.252 0.557 10 10 CCCE CC(C)(N)C(=O)NCc1cc(O)c(O)c([N+](=O)[O-])c1 83512639 VURMGNCBRJHSDT-UHFFFAOYSA-N 269.257 0.360 10 10 CCCE Oc1c(CNC[C@H]2CN3CCN2CC3)ccc(F)c1F 703254552 ATIXTJSQTJHWPL-NSHDSACASA-N 283.322 0.760 10 10 CCCE O=C(/C=C/c1ccc(O)c(O)c1)NCCN1CCNC1=O 1178036144 UZPCWBOHCVJCCN-DUXPYHPUSA-N 291.307 0.252 10 10 CCCE C[C@]1(CO)C[C@@H](O)CN1C(=O)Nc1ccc(N)cc1 698159737 RSSZYTOCJDBEAF-DGCLKSJQSA-N 265.313 0.618 10 10 CCCE O=C(O)[C@@H](F)C1(O)CN(Cc2ccc(O)cc2O)C1 2115649785 IZWLCCDWWMNNRS-SNVBAGLBSA-N 271.244 0.067 10 10 CCCE NC(=O)c1[nH]cnc1NCc1cccc(F)c1O 106244990 BKYWNXQZQCVDGF-UHFFFAOYSA-N 250.233 0.965 10 10 CCCE CN1C(=O)[C@@H](O)c2ccc(N3CC=C[C@@H]3CO)cc21 2119853215 MRJFEYKBMFCQFV-MFKMUULPSA-N 260.293 0.434 10 10 CCCE Cc1c(CC(=O)NCc2c(O)cccc2O)cnn1C 1635847555 PRUJVWPLEOSFSO-UHFFFAOYSA-N 275.308 0.999 10 10 CCCE CCC[C@@H](C(=O)O)N(CC(N)=O)Cc1ccc(N)cc1 216586412 VNOLAJBIFBUBHZ-LBPRGKRZSA-N 279.340 0.809 10 10 CCCE O=C(O)[C@]1(O)CCCN(Cc2cc(F)ccc2O)C1 1964722182 PYBDUOLAWKSVCK-ZDUSSCGKSA-N 269.272 0.943 10 10 CCCE CN(CCN=[N+]=[N-])CCOC1CCS(=O)(=O)CC1 1912187389 JYWDLAXKWCIKCZ-UHFFFAOYSA-N 276.362 0.822 10 10 CCCE [N-]=[N+]=NC1CCN(CC(=O)N2CCOC2=O)CC1 1912168595 FDHXZQMVNVUADK-UHFFFAOYSA-N 253.262 0.740 10 10 CCCE COC(=O)[C@]1(NCCN=[N+]=[N-])[C@H](C)[C@@H]2OCC[C@H]21 1912155889 JQSOMCYJZRATGE-REIXXSIJSA-N 254.290 0.853 10 10 CCCE CC(=O)NC1CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1 169892881 FTALESXSAYLTQQ-UHFFFAOYSA-N 294.307 0.544 10 10 CCCE C[C@@H]1CN(C(=O)[C@@H](N)Cc2ccc(O)c(O)c2)CC[C@@H]1O 166203952 DMHXPEBIGLYDPZ-USWWRNFRSA-N 294.351 0.197 10 10 CCCE NCc1ccc(N2CCO[C@@H](CO)C2)cc1Cl 167788442 REKPCMXXQAHARX-LLVKDONJSA-N 256.733 0.996 10 10 CCCE Nc1ccc(CCC(=O)NC[C@@H]2CNC(=O)O2)cc1 2129933789 NVMIPMDWPOCEFD-LLVKDONJSA-N 263.297 0.426 10 10 CCCE CN(Cc1ccc(N)cc1)S(=O)(=O)N1CC[C@@H](O)C1 1914154741 VIKGONMLPGGAIE-GFCCVEGCSA-N 285.369 0.012 10 10 CCCE C[C@@H]1C(=O)NCCN1C(=O)CCc1ccc(N)cc1 110652953 NRCSBKJCUAOFQC-SNVBAGLBSA-N 261.325 0.548 10 10 CCCE OC[C@@H]1C[C@@H](O)CCN1c1ccc2c(c1)CC[C@H]2O 2136082043 OGHUTHKRBVTTTP-KCQAQPDRSA-N 263.337 0.988 10 10 CCCE C[C@@H]1CCN(C(=O)COc2ccc(N)cc2)[C@@H]1CO 226895185 NNYABASRYZIEJT-ZWNOBZJWSA-N 264.325 0.877 10 10 CCCE Nc1cc2c(cc1N(CCO)C1CCC1)NC(=O)CO2 228317643 CGNIQRCYQUDSNL-UHFFFAOYSA-N 277.324 0.951 10 10 CCCE CCOC(=O)[C@H](N)C(=O)NCc1cccc(C)c1O 2139762889 VTGSMSVGTLTQRO-SNVBAGLBSA-N 266.297 0.207 10 10 CCCE CN(C)CCN(CC(=O)O)Cc1ccc(F)cc1O 2139767795 RDQYDEFMIDGURF-UHFFFAOYSA-N 270.304 0.980 10 10 CCCE Cc1cccc(CNS(=O)(=O)C[C@H]2CCCN2)c1O 2139764224 PLAAFEHBOJHCTQ-GFCCVEGCSA-N 284.381 0.872 10 10 CCCE C[C@@H]1C(=O)NCCN1C(=O)[C@H]1CNc2ccccc2N1 229881179 GIWOBPWVQVPBSL-BXKDBHETSA-N 274.324 0.240 10 10 CCCE CN(C)C[C@H]1COC[C@H]1NCc1ccc(O)c(O)c1 2141452640 LRDMUFULVKOODD-NWDGAFQWSA-N 266.341 0.764 10 10 CCCE CO[C@H]1CN(c2cc3c(cc2N)OCCO3)C[C@@H]1OC 234937330 OUUCREGDZGLCMT-KBPBESRZSA-N 280.324 0.890 10 10 CCCE C[C@H](NC(=O)c1ccc(O)c(O)c1)C(=O)NC1CC1 235503628 SUUKUCVBLSNQIA-ZETCQYMHSA-N 264.281 0.495 10 10 CCCE Nc1nc(-c2ccc(O)c(O)c2)[nH]c(=O)c1CC(=O)O 236363095 MAFIQHHUWBXDIT-UHFFFAOYSA-N 277.236 0.057 10 10 CCCE CN(C)Cc1cc([C@H]2CNC[C@H]2C(=O)O)ccc1O 1952122722 XPXYJHPYQPWDRX-VXGBXAGGSA-N 264.325 0.841 10 10 CCCE NC[C@H]1CC[C@@H](NC(=O)Cc2ccc(O)c(O)c2)C1 1971909408 MYOUQQIZQNMQSG-WDEREUQCSA-N 264.325 0.884 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3C[C@H]4[C@@H](O)C[C@H]4C3)ccc21 2151397882 RPHIVECTJGZYRY-KNEYZDPSSA-N 273.336 0.716 10 10 CCCE NC(=O)[C@H](NC[C@@H]1CCCO1)c1ccc(O)c(O)c1 37942889 FXGVRNHRZSQQSL-JOYOIKCWSA-N 266.297 0.393 10 10 CCCE C[C@H](C(=O)Nc1ccc(N)cc1)N(C)CC(CO)CO 2150414956 JPGAEGBEFXWBFX-SNVBAGLBSA-N 281.356 0.128 10 10 CCCE [N-]=[N+]=NCCCCNS(=O)(=O)C[C@@H]1CCC1=O 2008732867 HSQISHLWELFPBO-QMMMGPOBSA-N 260.319 0.975 10 10 CCCE Nc1cc2c(cc1N1CCOC[C@H](CO)C1)OCCO2 2154479438 NNMCXISPNTXTHN-JTQLQIEISA-N 280.324 0.485 10 10 CCCE NC(=O)[C@@H]1CNCCN1Cc1ccc(Cl)cc1O 2029656533 IXADBDCZSYJLJR-JTQLQIEISA-N 269.732 0.305 10 10 CCCE CN1CCN(C)[C@@H](C(=O)N2CC[C@@H](N=[N+]=[N-])C2)C1 2038243172 OXQDYAGINQTDKT-NXEZZACHSA-N 252.322 0.143 10 10 CCCE COC(=O)c1cccc(N)c1N[C@@H]1CO[C@@H]2COC[C@H]12 2158041780 HAEPSUVKKOPHBL-YUSALJHKSA-N 278.308 0.881 10 10 CCCE CN(CCOCCO)C(=O)c1cccc(O)c1O 310622088 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CC[C@H](CCO)NC(=O)c1cnn2c(O)cc(C)nc12 2064640874 HBIMSPBSJXDMAV-SECBINFHSA-N 278.312 0.634 10 10 CCCE COc1cccc(CNC2CN([C@H]3CCOC3)C2)c1O 2169347265 QXUNDBKEXNLYCV-ZDUSSCGKSA-N 278.352 0.964 10 10 CCCE C[C@@H](C(=O)Nc1ccc(N)cc1)N1C[C@H]2C[C@H]1CN2C 2187565227 VOJSALSIVUSOMI-GDLCADMTSA-N 274.368 0.984 10 10 CCCE Nc1ccc(CC(=O)N[C@H]2COC[C@H]2CC(=O)O)cc1 2187936447 KECUBKUVYKGJHJ-PWSUYJOCSA-N 278.308 0.417 10 10 CCCE CC1(C)CNC[C@H](NC(=O)c2cc(O)c(O)c(O)c2)C1 2188925755 WEUDTBWJEMZFOI-SECBINFHSA-N 280.324 0.921 10 10 CCCE C[C@@H]1CNCC[C@@H]1CNC(=O)c1cc(O)c(O)c(O)c1 2188918245 CJLJLCSVUXZMQR-RKDXNWHRSA-N 280.324 0.779 10 10 CCCE O=C(N[C@]12CCC[C@]1(F)CNC2)c1cc(O)nc(O)c1 2182436499 JIXAERUXWOZKBQ-STQMWFEESA-N 281.287 0.457 10 10 CCCE OC[C@@]1(NCc2ccc(O)cc2O)C[C@@H](O)C12CCC2 2193967499 DYPKIMPFVJPUHX-HIFRSBDPSA-N 279.336 0.853 10 10 CCCE COc1cccc(O)c1CNCc1nc(O)n[nH]1 2042579078 ISWWLPFNBJCOFU-UHFFFAOYSA-N 250.258 0.514 10 10 CCCE COCCN[C@H](C(=O)OC)c1c(O)cccc1F 2042598090 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CCCE CNCCN(C)C(=O)CCOc1ccc(N)cc1 2071672201 ALCWPJQUQLMWLK-UHFFFAOYSA-N 251.330 0.716 10 10 CCCE Nc1ccc(OCC[C@@H]2CNCCS2(=O)=O)cc1 2078186019 QYVKUYIYTADULJ-GFCCVEGCSA-N 270.354 0.424 10 10 CCCE C[C@@H](CNC(=O)COc1ccc(N)cc1)N1CCC1 2102999124 UAWXWINPDQPFRB-NSHDSACASA-N 263.341 0.858 10 10 CCCE C[C@H](NC(=O)N1CCC[C@H]1CN=[N+]=[N-])S(C)(=O)=O 2082959233 LSCCNRLHZJFYEC-SFYZADRCSA-N 275.334 0.861 10 10 CCCE COc1ccc(N2C[C@@H](O)C[C@H](O)C2)c([N+](=O)[O-])c1 2105108345 OSDLFXYWYXRZBS-IUCAKERBSA-N 268.269 0.535 10 10 CCCE C[C@@]1(CNC(=O)c2cccc(O)c2O)CC(=O)N1 2085316936 XOMVHYVTKJIJNH-LBPRGKRZSA-N 250.254 0.106 10 10 CCCE COC(=O)[C@@](C)(NCCO)c1ccc(N(C)C)cc1 2088812379 RTVFKNWUZXEVKU-AWEZNQCLSA-N 266.341 0.723 10 10 CCCE CCS(=O)(=O)NC1CN(c2ccc(CO)c(C)c2)C1 2109343661 KFODKHWDBPBHMC-UHFFFAOYSA-N 284.381 0.615 10 10 CCCE CCN(c1ccc([C@H](C)O)cc1)[C@@H]1CC(=O)NC1=O 2114730447 SHSONSZHIGPJSP-JOYOIKCWSA-N 262.309 0.981 10 10 CCCE CS(=O)(=O)CCC(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-] 2213584394 CUFHSWIEDKNCLJ-HTQZYQBOSA-N 260.319 0.769 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3CC(OCCCO)C3)ccc21 2206955439 UXZGMSUXGLCWDM-CYBMUJFWSA-N 277.324 0.226 10 10 CCCE O=C(NC[C@@]12CCC[C@]1(CO)C2)c1cc(O)nc(O)c1 2208030901 WIRAUAMCLDPHIE-UONOGXRCSA-N 278.308 0.775 10 10 CCCE O=C(N[C@H]1CC[C@H]1CO)c1cc(O)c(O)c(O)c1 2218451257 ZEOKEIMTAHWEOE-XPUUQOCRSA-N 253.254 0.304 10 10 CCCE COc1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CF)c(F)c1 2219614398 JEGLUXFPOKNQNV-WOPDTQHZSA-N 259.252 0.714 10 10 CCCE COc1ccc(N2CC(N)(C(N)=O)C2)cc1C(C)C 2224909929 GPLDOSFJXRYWFQ-UHFFFAOYSA-N 263.341 0.821 10 10 CCCE COc1ccc(N2CCN(CCO)C(=O)C2)cc1OC 2235124534 MURHREUTHSPFFM-UHFFFAOYSA-N 280.324 0.345 10 10 CCCE COc1ccc(N2C[C@@H]3OC[C@@H](CO)[C@@H]3C2)c(C=O)c1 2235986023 HBGIFWJBVHIRQI-ZLDLUXBVSA-N 277.320 0.951 10 10 CCCE Cn1c(=O)nc(O)c2nc(-c3cccc(O)c3O)[nH]c21 2236030175 GXPNZLMHUMFRHW-UHFFFAOYSA-N 274.236 0.440 10 10 CCCE COc1ccc(N2CC[C@@H]3CS(=O)(=O)C[C@H]32)c(CO)c1 2236000221 SATNUFZLCZOFSM-QMTHXVAHSA-N 297.376 0.811 10 10 CCCE COc1cc(N2CC(O)(CO)C2)cc(OC)c1OC 2226814301 HJVQYAAXJHITIB-UHFFFAOYSA-N 269.297 0.256 10 10 CCCE O[C@@H]1CN(c2ccc3c(c2)COCC3)[C@@H](CF)[C@H]1O 2226710007 CWUXIIUKZSIXLE-BFHYXJOUSA-N 267.300 0.639 10 10 CCCE CCOc1ccc(N2CC3(C2)OC[C@@H](O)[C@@H]3O)cc1 2226749737 SSVHBTSWYQIILJ-OLZOCXBDSA-N 265.309 0.396 10 10 CCCE OC[C@H](O)[C@@H]1CCCN1c1ccc2c(c1)OCCO2 2226766554 RNBWNCHCSBUSLN-RYUDHWBXSA-N 265.309 0.780 10 10 CCCE Nc1ccc(CC(=O)NC[C@@]23CNC[C@@H]2CCO3)cc1 2237803213 DGXHDJSGQTYISP-WFASDCNBSA-N 275.352 0.306 10 10 CCCE Cc1cc([C@H](C)N)ccc1N1CCOC[C@@H]1[C@@H](O)CO 2240749759 TUXSVZQFZBFAES-GLQYFDAESA-N 280.368 0.573 10 10 CCCE CSc1ncc(CNC(=O)[C@@]2(CO)CCCN2)s1 2257074020 GYPZDDQGHMRENP-NSHDSACASA-N 287.410 0.596 10 10 CCCE COc1ccc(N2CC[C@H]2[C@@H](O)CO)c(F)c1F 2258323382 IVDXKEDRJFCBPM-CBAPKCEASA-N 259.252 0.905 10 10 CCCE COc1cc(N2CC(O)(CCO)C2)cc(OC)c1OC 2286177480 AORJVHUUTXKLHV-UHFFFAOYSA-N 283.324 0.646 10 10 CCCE C[C@H]1C(=O)N(C)CCN1C(=O)C=Cc1ccc(O)c(O)c1 2310368287 DOJNSSFZAFUSHN-JTQLQIEISA-N 290.319 0.800 10 10 CCCE Nc1ccc(CS(=O)(=O)NCCSCCO)cc1 2314032107 OUQSJSYXBMXBLS-UHFFFAOYSA-N 290.410 0.414 10 10 CCCE N[C@H]1C[C@@H]2C[C@H]1N(C(=O)c1cc(O)c(O)c(O)c1)C2 2331867943 MXJNDYMDKDXMAO-BWVDBABLSA-N 264.281 0.365 10 10 CCCE O=C(N[C@@H]1C[C@H]2CN[C@@H]1C2)c1cc(O)c(O)c(O)c1 2331867646 BLXAQBIZRARLQK-NBEYISGCSA-N 264.281 0.284 10 10 CCCE O=C(CN1C[C@H]2C[C@H]2[C@H]1CO)c1ccc(O)c(O)c1 2332560818 DXXFOTZVNFWVHV-GMTAPVOTSA-N 263.293 0.593 10 10 CCCE Nc1ccc(CC(=O)NC[C@H]2CNCC23CC3)cc1 2336350289 RVRCLFUFYDVLPZ-GFCCVEGCSA-N 259.353 0.927 10 10 CCCE CN(C[C@H]1CCO1)c1ccc2c(c1)N(C)C(=O)[C@H]2O 2341213759 VDDZKAUMONCPIN-MFKMUULPSA-N 262.309 0.922 10 10 CCCE CN[C@H](CCN(C)c1ccc(OC)cc1)C(N)=O 62528486 KIBXXIXLLRFROB-GFCCVEGCSA-N 251.330 0.595 10 10 CCCE COc1ccc(N2CC(=O)NC(=O)C2(C)C)c(N)c1 213457062 QQTJSTUYZKIAJR-UHFFFAOYSA-N 263.297 0.519 10 10 CCCE CN(C)c1ccc(CN2CCOC[C@H]2C(N)=O)cc1 193465022 YZEHROUFZPNEGZ-ZDUSSCGKSA-N 263.341 0.439 10 10 CCCE CNC(=O)CC(=O)NCc1ccc(N(C)C)c(F)c1 134161249 QHWNNNSXCLTPLV-UHFFFAOYSA-N 267.304 0.644 10 10 CCCE CN[C@@H]1CCC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2132402562 DVFNKGMKNJDSTQ-RKDXNWHRSA-N 266.297 0.674 10 10 CCCE CN(C(=O)c1cc(O)c(O)c(O)c1)C1(CN)CCC1 2132412700 GLYWDEFPPJCPNM-UHFFFAOYSA-N 266.297 0.757 10 10 CCCE NC(=O)[C@H](NC[C@@H]1CCCO1)c1cc(F)ccc1O 236192102 AOGRTYUXHRUYLO-JOYOIKCWSA-N 268.288 0.826 10 10 CCCE C[C@H]1CN(c2cc3c(cc2N)OCC(=O)N3)C[C@H]1N(C)C 251549617 BDPKQDVNVCEZHR-TVQRCGJNSA-N 290.367 0.986 10 10 CCCE Nc1cccc(C(=O)O)c1N[C@@H]1C[C@H]2C[C@H]1[C@H](O)[C@@H]2O 2166412447 DLRFBBPTNODIBQ-GUYICBEASA-N 278.308 0.509 10 10 CCCE Cc1cc(CN2CC[C@@](O)(C(N)=O)C2)ccc1N(C)C 294768294 YXWARIPDLYNCDE-HNNXBMFYSA-N 277.368 0.483 10 10 CCCE N[C@H]1CN(C(=O)c2cc(O)nc(O)c2)C[C@@H]1C(F)(F)F 720924614 MFBYRDMUBFUZOB-BQBZGAKWSA-N 291.229 0.454 10 10 CCCE C[C@@H](N)c1ccc(N2CC[C@@H](NC(N)=O)C2)cc1O 723169461 MQTUCPFNGVNBDA-RKDXNWHRSA-N 264.329 0.659 10 10 CCCE C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)CCN1CCO 829048148 WOGWBVMUBCKENY-SECBINFHSA-N 298.314 0.376 10 10 CCCE CCOc1cccc([C@@H]2NC(=O)[C@H](COC)N2C)c1O 840828066 FJSBMQWQTWGMHG-GXFFZTMASA-N 280.324 0.866 10 10 CCCE CN(C)c1cc(F)c(CNCCc2nnnn2C)cc1F 858156073 KZEXNFDPQGOQIP-UHFFFAOYSA-N 296.325 0.887 10 10 CCCE O=C(c1cccc(O)c1O)N1CC[C@H](Cn2ccnn2)C1 855238565 SBZMYIINAJKQNF-JTQLQIEISA-N 288.307 0.852 10 10 CCCE C[C@H]1CN(c2cc3c(cc2N)OCC(=O)N3)CCN1 1876325126 FNCIHFJBOYDOGQ-QMMMGPOBSA-N 262.313 0.398 10 10 CCCE NC[C@@H]1CCN(C(=O)CCOc2ccc(N)cc2)C1 1876448894 JGAMERUXCNKZPK-NSHDSACASA-N 263.341 0.845 10 10 CCCE C[C@@H]1CC(=O)N1S(=O)(=O)CCOc1ccc(N)cc1 1876406804 SXWKOZPTHCCDNF-SECBINFHSA-N 284.337 0.598 10 10 CCCE CCN(CC(=O)NC(N)=O)Cc1ccc(N)cc1 35064216 ZFMICDCLZHVKRK-UHFFFAOYSA-N 250.302 0.286 10 10 CCCE N[C@H]1CCSC[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 1896211977 AXFUAYZXLMJBBZ-UWVGGRQHSA-N 282.365 0.589 10 10 CCCE CC[C@@H]1N(C(=O)OC(C)(C)C)C[C@]1(O)C(=O)C(C)=O 1881382907 XAKJYBKXDZDOTF-TVQRCGJNSA-N 271.313 0.905 10 10 CCCE O=C(O)CC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)C1 134390234 KEDHPDMGYJWCQS-MRVPVSSYSA-N 280.280 0.820 10 10 CCCE COCC1(O)CCN(C(=O)Cc2ccc(N)cc2)CC1 1970213738 JIZMKDWIXRGHNO-UHFFFAOYSA-N 278.352 0.811 10 10 CCCE NC(=O)CN(Cc1ccc(N)cc1)C(=O)[C@H]1CC12CC2 707862937 ZGEYOUXBVSJZDQ-GFCCVEGCSA-N 273.336 0.883 10 10 CCCE O=C(CC1CS(=O)(=O)C1)NCc1c(O)cccc1F 1332477562 KZUFRIZAJCTMNP-UHFFFAOYSA-N 287.312 0.582 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3C[C@H](O)C[C@@H]3CO)c(Cl)cc21 698136298 WNAOJJAFIOORGJ-QHMRUWFYSA-N 297.742 0.224 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3CCCNC(=O)C3)ccc21 87884429 OFJDDFFSKJOKGX-ZDUSSCGKSA-N 274.324 0.226 10 10 CCCE COC(=O)COCC(=O)NCc1c(O)cccc1F 1332926990 YPPLXLDFFIUEAT-UHFFFAOYSA-N 271.244 0.337 10 10 CCCE Cc1ccc(C(=O)NCCOCCCO)c(O)c1O 1341806060 HWRMJABBXSAQOZ-UHFFFAOYSA-N 269.297 0.535 10 10 CCCE Cn1cnnc1CCNC(=O)Cc1ccc(O)c(O)c1 1443667956 VQXFQWFETCHKBU-UHFFFAOYSA-N 276.296 0.128 10 10 CCCE C[C@H](N[C@@H]1CCO[C@@H]1C(N)=O)c1cc(O)ccc1O 2117463535 RAFFCQAWUMWAFW-KOLSJAJHSA-N 266.297 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C[C@@H]1CNCC[C@H]1NC(=O)COc1ccc(N)cc1 1876519602 AWAANERBGXIWBF-ZWNOBZJWSA-N 263.341 0.762 10 10 CCCE C[C@H](CN)N(C)S(=O)(=O)CCOc1ccc(N)cc1 1876527399 OMFPXPPWUZQNAM-SNVBAGLBSA-N 287.385 0.256 10 10 CCCE C[C@@H](NC(=O)C[C@@]1(O)CCNC1)c1ccccc1O 1877577774 FMFIJMXTSRIXEM-YGRLFVJLSA-N 264.325 0.684 10 10 CCCE CN(C)c1ccc([C@H](N)[C@H](O)c2nnnn2C)cc1 1885441252 FMCCUJFAAVJJOD-QWRGUYRKSA-N 262.317 0.010 10 10 CCCE CCOCCCNC(=O)[C@@H](N)c1ccc(O)c(O)c1 83497379 CBTALKWJZMMHRW-LBPRGKRZSA-N 268.313 0.640 10 10 CCCE C[C@H](C(=O)O)[C@H]1NCCc2c1cc(O)c(O)c2O 75818790 VZQUMIIFDYEYFV-SSDLBLMSSA-N 253.254 0.711 10 10 CCCE O=C1NCC[C@H]1CNCc1cc2c(cc1O)OCO2 1887153886 QZQCWPHRGHYUCT-QMMMGPOBSA-N 264.281 0.347 10 10 CCCE COc1ccc(O)c([C@@H](N)c2nnc(C3CNC3)o2)c1 83547391 ZROJBDGKXPKDLL-LLVKDONJSA-N 276.296 0.519 10 10 CCCE Cn1c(=O)cc(C[C@H](N)C(=O)O)c2cccc(F)c21 84162897 AXXWKOMDUQOHAY-JTQLQIEISA-N 264.256 0.632 10 10 CCCE C[C@@H]1CO[C@H](CO)CN1c1ccc(CN)cc1F 167797267 APPUCHXBVHTEOT-KOLCDFICSA-N 254.305 0.870 10 10 CCCE NC(=O)N[C@H]1CCCN(Cc2cc(N)ccc2O)C1 702149342 MMCWTMUKLTZQMH-NSHDSACASA-N 264.329 0.607 10 10 CCCE CC[C@H]1NCC[C@H]1NC(=O)c1cccc(O)c1O 704604505 ADLAMMBFAAOYNW-NXEZZACHSA-N 250.298 0.968 10 10 CCCE CO[C@H]1CN(Cc2ccc(O)cc2O)C[C@@H]1C(=O)O 690173576 NSUHPCVALWPPMZ-JQWIXIFHSA-N 267.281 0.629 10 10 CCCE COC(=O)[C@@](C)(NCCN=[N+]=[N-])c1cn(C)nn1 715063793 CVQQOBSBBWOOSZ-VIFPVBQESA-N 253.266 0.103 10 10 CCCE C[C@@H](NC[C@H]1CN(C)CCN1C)c1ccc(O)cc1O 68800794 PSRGZQUKLXCUKA-NEPJUHHUSA-N 279.384 0.994 10 10 CCCE CN1CCc2cc(CN[C@@H]3CCC(=O)NC3=O)ccc21 89751908 KITGYPWTQSFDBF-GFCCVEGCSA-N 273.336 0.574 10 10 CCCE CCO[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)CN(C)C 1455558716 AAKPZCCOGRJLAM-LBPRGKRZSA-N 296.367 0.723 10 10 CCCE [N-]=[N+]=NCCCCN1CCOC[C@@]12CNCCOC2 2117995203 KGWQPUSSTPLGPE-LBPRGKRZSA-N 269.349 0.768 10 10 CCCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)CC(N)=O 1466790323 FVJIVBUSGHCIRJ-RKDXNWHRSA-N 280.324 0.657 10 10 CCCE C[C@@H](C(=O)NCc1c(O)cccc1O)n1cncn1 1472063547 MAVCKDCMOKLOIS-QMMMGPOBSA-N 262.269 0.567 10 10 CCCE CC(=O)N1C[C@H](c2cccc(O)c2O)[C@@H](CO)C1 1614634467 LBVDFXLUPSRYJH-KOLCDFICSA-N 251.282 0.652 10 10 CCCE C[C@H](NC(=O)Cn1cc([C@@H](C)O)nn1)c1ccccc1O 1471195346 XBFJFKMQTPQDTD-VHSXEESVSA-N 290.323 0.914 10 10 CCCE N[C@H]1CN(Cc2cc(F)cc(F)c2O)CC[C@H]1CO 2122349723 VNUWKMAZVOXSKT-UFBFGSQYSA-N 272.295 0.812 10 10 CCCE CNCc1ccc(N2CCC[C@@H]2[C@H](O)CO)c(F)c1 2123219087 BETNHYIROGBTSV-ZIAGYGMSSA-N 268.332 0.867 10 10 CCCE NC(=O)N[C@@H]1CCN(c2ccc3c(c2)CC[C@@H]3O)C1 2128323408 ULWPFLSTNYCMBM-MFKMUULPSA-N 261.325 0.913 10 10 CCCE CN(c1ccc2c(c1)CC[C@H]2O)[C@@H]1CC(=O)NC1=O 2128318362 UUHMUZFSJZWJHS-VXGBXAGGSA-N 260.293 0.518 10 10 CCCE C[C@@H]1C(=O)NC(=O)CN1c1ccc2c(c1)CC[C@@H]2N 2128321195 JKOURNQTTRWTSJ-PELKAZGASA-N 259.309 0.484 10 10 CCCE C[C@@H](Cn1cnnc1)NCc1ccc(O)c(O)c1O 2130142414 GGWWVODLQCHASL-QMMMGPOBSA-N 264.285 0.573 10 10 CCCE C[C@H](CNC(=O)c1cc(O)c(O)c(O)c1)C[C@@H](C)O 2132348485 MMWSRCAZIHOTMO-JGVFFNPUSA-N 269.297 0.940 10 10 CCCE OC[C@H](O)C1(NCc2ccc3c(c2)CCCO3)CC1 2133599905 OLBIALVUBHQULG-AWEZNQCLSA-N 263.337 0.987 10 10 CCCE CN(C)[C@@H]1COC[C@H]1Nc1c(N)cccc1C(N)=O 1922028981 CHWPJGAFPSRFJW-GHMZBOCLSA-N 264.329 0.109 10 10 CCCE CCN(c1ccc(CO)c(OC)c1)[C@@H]1CCNC1=O 2139698034 CXDPAOMYCVQUBF-GFCCVEGCSA-N 264.325 0.902 10 10 CCCE C[C@@H]1CS(=O)(=O)CCN1C(=O)CCc1ccc(N)cc1 228712737 XGAUVHQXJIWYMI-LLVKDONJSA-N 296.392 0.847 10 10 CCCE Cc1ccc(CNCC2CS(=O)(=O)C2)c(O)c1 1967795187 JMEMZBDCRXQCNW-UHFFFAOYSA-N 255.339 0.835 10 10 CCCE Nc1ccc(CCC(=O)NC2(CO)CCOCC2)cc1 230727825 FOILVHBPYVZGGS-UHFFFAOYSA-N 278.352 0.859 10 10 CCCE COCCNC(=O)CN[C@@H](C)c1c(O)cccc1O 234650580 TUKDIRRWEIHPFS-VIFPVBQESA-N 268.313 0.511 10 10 CCCE C[C@@](N)(C(=O)O)C1(c2cc(O)c(O)c(O)c2)CC1 1951857867 XBIQNZYSZHAYJR-LLVKDONJSA-N 253.254 0.637 10 10 CCCE COC(=O)[C@H]1C[C@@]1(N)c1ccc(O)c(CN(C)C)c1 1952950294 HZOMOIMBACCPKE-BXUZGUMPSA-N 264.325 0.801 10 10 CCCE C[C@@H]1CCNC[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 1971470155 JOEWLHJQAVAPGY-KOLCDFICSA-N 264.325 0.755 10 10 CCCE Nc1ccc(OCC(=O)N2C[C@@H](CO)C3(CC3)C2)cc1 2144089787 CBDKZPJSWBZQKD-NSHDSACASA-N 276.336 0.879 10 10 CCCE O=[N+]([O-])c1cc(F)c(O)c(CN2CCNCC2)c1 258342592 HNPDBVDCDOEUQH-UHFFFAOYSA-N 255.249 0.845 10 10 CCCE Cn1cnc(Cl)c1[C@H](NCCN=[N+]=[N-])C(N)=O 2006582975 SZUBXDLCXWTBKR-YFKPBYRVSA-N 257.685 0.500 10 10 CCCE CN(CCN=[N+]=[N-])C(=O)N[C@@H]1CCS(=O)(=O)C1 2021032494 ZBQDIKXWXRKGNF-SSDOTTSWSA-N 261.307 0.125 10 10 CCCE CN(C)[C@@H]1CN(Cc2cc(N)ccc2O)C[C@H]1O 2029417864 MOVLSYWYUBNVTK-DGCLKSJQSA-N 251.330 0.081 10 10 CCCE Nc1ccc(CC(=O)N[C@@H](CO)CCCO)cc1 2029916099 FORCYEZZAOYRLO-GFCCVEGCSA-N 252.314 0.061 10 10 CCCE COc1ccc(O)c([C@H](C)N2CC[C@](N)(C(=O)O)C2)c1 300320079 JXGFGQSQBOMGEP-LKFCYVNXSA-N 280.324 0.950 10 10 CCCE O=S1(=O)CCCN1CCNCc1ccc(O)cc1O 405359371 BKYMFJRFZSADTD-UHFFFAOYSA-N 286.353 0.223 10 10 CCCE C[C@@]1(CN)CCN(C(=O)c2ccc(O)c(O)c2)C1 311097847 BUTFDMSVVMOQFO-ZDUSSCGKSA-N 250.298 0.909 10 10 CCCE CCNCc1ccc(N2C[C@@H](CO)[C@@H](O)C2)cc1C 316924501 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COc1cccc(O)c1CN1C[C@@H]2OCCN(C)[C@@H]2C1 769481531 BQMPPCUPEQKNML-DOMZBBRYSA-N 278.352 0.916 10 10 CCCE CN(CCN1CCOC1=O)C(=O)c1ccc(O)c(O)c1 2171073562 ZJSWWGSQSZTOOT-UHFFFAOYSA-N 280.280 0.622 10 10 CCCE Nc1ccc(CS(=O)(=O)NCC[C@@H]2CCNC2=O)cc1 2196750070 KAPZBCVMJPTIHQ-NSHDSACASA-N 297.380 0.214 10 10 CCCE O=C(NCC1CC(C(=O)O)C1)c1cc(O)c(O)c(O)c1 2188868539 SRCROHZXSBSZNG-UHFFFAOYSA-N 281.264 0.644 10 10 CCCE Nc1ccc(CN2Cc3nncn3C[C@H]2C(=O)O)cc1 2197626437 BQUFVQWVJQOOSN-NSHDSACASA-N 273.296 0.329 10 10 CCCE Nc1ccc(OCC(=O)N2C[C@H]3C[C@@H](O)C[C@H]3C2)cc1 2185081650 BUQRZBMCIABGEU-PTEHBNRSSA-N 276.336 0.877 10 10 CCCE COc1ccc(CN[C@@H]2C[C@H](O)C[C@@H]2O)c(O)c1 2046490092 IHUVPUDSJDQNOY-NDMJEZRESA-N 253.298 0.375 10 10 CCCE C[C@H](N[C@@H]1C[C@H](O)C[C@@H]1O)c1ccc(O)cc1O 2046491415 XQSOWDDAKUCXTI-ALLMZLOKSA-N 253.298 0.633 10 10 CCCE O=S1(=O)C[C@H]2[C@@H](CNCc3ccccc3O)[C@H]2C1 2054246436 ATXVGYDDFDRLNF-ZSBIGDGJSA-N 267.350 0.772 10 10 CCCE NCCO[C@@H]1CCN(C(=O)COc2ccc(N)cc2)C1 2191663296 HETWGYJWBXOYEZ-CYBMUJFWSA-N 279.340 0.224 10 10 CCCE C[C@H](F)CS(=O)(=O)NCCc1ccc(O)c(O)c1 2057399169 IBOWQTSWRDYKIN-QMMMGPOBSA-N 277.317 0.918 10 10 CCCE Nc1ccc(CCNS(=O)(=O)c2cccnc2N)cc1 2191645815 VQRGVKTYEIQYJC-UHFFFAOYSA-N 292.364 0.767 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1C[C@@H]2CC[C@]2(CO)C1 2198750535 SQPLESCFNBYMIC-XHDPSFHLSA-N 277.320 0.871 10 10 CCCE CCN[C@@H](C)CNC(=O)c1cc(O)c(O)c(O)c1 2068617914 MMLNJPIZTCYLDQ-ZETCQYMHSA-N 254.286 0.531 10 10 CCCE Nc1cc2c(cc1N1CCO[C@H]3COC[C@H]31)OCCO2 2192654210 BLUDWPRDFYYVFM-RISCZKNCSA-N 278.308 0.644 10 10 CCCE C[C@H](NC(=O)c1cn(CCN)nn1)c1ccccc1O 2192621742 GEHQIXIWHXCHBM-VIFPVBQESA-N 275.312 0.433 10 10 CCCE OC[C@@]1(CNCc2ccc(O)c(O)c2)CCCO1 2073626672 HKOKRBMOYXYYKD-ZDUSSCGKSA-N 253.298 0.729 10 10 CCCE CO[C@@H]1CN(Cc2cc(N)ccc2O)[C@@H]2COC[C@@H]12 2102147445 RKNJXYWASXEHNQ-YRGRVCCFSA-N 264.325 0.820 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)[C@@]2(CCF)CCNC2)C1 2082298503 AIHCIBMPCMLSGI-KWBADKCTSA-N 256.321 0.591 10 10 CCCE O=C1NC(=O)[C@H]2CN(c3ccc(CO)cc3)CC[C@H]12 2102565900 PGQTWVPGSVNNIV-RYUDHWBXSA-N 260.293 0.278 10 10 CCCE C[S@@](=O)(=NC(=O)c1cc(O)nc(O)c1)[C@H]1CCNC1 2102807544 UCZNCKFJZCCYNO-RLBGWGEZSA-N 285.325 0.093 10 10 CCCE COc1cc(N2CCO[C@@H](CO)C2)ccc1CN 2084004906 MIEOMWDYHNCANC-GFCCVEGCSA-N 252.314 0.351 10 10 CCCE NC(=O)[C@@H](c1c(O)cccc1F)N1CCCNCC1 2104472535 CYODGBSRYJPKTC-GFCCVEGCSA-N 267.304 0.353 10 10 CCCE COc1ccc(N2C[C@@H](O)C[C@@H](O)C2)c([N+](=O)[O-])c1 2105108344 OSDLFXYWYXRZBS-DTORHVGOSA-N 268.269 0.535 10 10 CCCE C[C@H](N)c1ccc(N2CCCC2(CO)CO)cc1O 2089867165 AVASLWXOQFLRKX-JTQLQIEISA-N 266.341 0.736 10 10 CCCE NCc1ccc(N2CCCCC2(CO)CO)cc1F 2089903249 ACAJJONEPXOGMN-UHFFFAOYSA-N 268.332 0.998 10 10 CCCE O=[N+]([O-])c1cc(CO)ccc1N1CC(OCCO)C1 2095969013 STALUEGQUCFHQI-UHFFFAOYSA-N 268.269 0.285 10 10 CCCE Nc1ccc(CC(=O)N2CC(n3ccnn3)C2)cc1 2113841927 VTYWXVFLNGOYKJ-UHFFFAOYSA-N 257.297 0.486 10 10 CCCE NC(=O)c1csc(=NCc2cc(N)ccc2O)[nH]1 2218527421 VJACIJGYUAIKBZ-UHFFFAOYSA-N 264.310 0.564 10 10 CCCE C[C@H](COc1nnc(=N)[nH]n1)CN(C)C(=O)OC(C)(C)C 2209555363 CPIJTOHMKJLYJX-QMMMGPOBSA-N 298.347 0.561 10 10 CCCE C[C@H](O)c1ccc(N2CC[C@](O)(CO)[C@H](O)C2)c(F)c1 2234098193 RKDNXPDWZWULNE-FZZIBODNSA-N 285.315 0.173 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CC[C@@H]2[C@@H](O)C[C@@H]2C1 2224583128 GHPPSVHZHNHRPB-SCVCMEIPSA-N 263.293 0.941 10 10 CCCE COC[C@@H]1[C@@H](O)[C@@H](O)CN1c1ccc(OC)cc1C=O 2235986822 OHVODEAHSHLTQJ-HZSPNIEDSA-N 281.308 0.065 10 10 CCCE CCNC(=O)C1CN(c2ccc(OC)cc2C(=O)O)C1 2235959418 XIYXZNDTMDETOX-UHFFFAOYSA-N 278.308 0.966 10 10 CCCE OC[C@H]1CN(c2ccc3c(c2)OCCO3)CC[C@@H]1O 2226769787 GDRPKLZFOFIBOI-PWSUYJOCSA-N 265.309 0.637 10 10 CCCE O=c1c2c(ccn1Cc1nc(C3CC3)no1)CCNC2 2236809749 QOMWQYPTUCZAOB-UHFFFAOYSA-N 272.308 0.803 10 10 CCCE Cc1cc(N2CC[C@H](O)[C@@H](O)CC2)ccc1CO 2256957371 CMBFPNQIFIYTCD-KBPBESRZSA-N 251.326 0.809 10 10 CCCE C[C@@H](O)c1ccc(N2CC[C@@H]2[C@@H](O)CO)c(F)c1 2258329087 FVWYEYKTYHRENN-WQHBLYJGSA-N 255.289 0.811 10 10 CCCE CO[C@@H]1[C@@H](O)C[C@H]1NCc1ccc(N(C)C)cc1 2258692994 WGWZMRAZWAQQEQ-RDBSUJKOSA-N 250.342 0.990 10 10 CCCE CC(C)Oc1ccc(N2C[C@H](O)[C@@H](O)[C@H](CO)C2)cc1 2289358622 VDWFKWXMMNWPSU-CQDKDKBSSA-N 281.352 0.624 10 10 CCCE [N-]=[N+]=N[C@H]1CCC[C@H]1NC(=O)[C@@H]1CC[C@H](C(=O)O)O1 2333612256 KIQSXJRHBAWTFD-RYPBNFRJSA-N 268.273 0.966 10 10 CCCE CN(CCCO)c1cc2c(cc1N)OCC(=O)N2 306003131 NRVSZZREMMUQDF-UHFFFAOYSA-N 251.286 0.418 10 10 CCCE CN(C(=O)c1cc(O)c(O)c(O)c1)[C@@H](CN)C1CC1 2132414524 XWJOEORJNPQVBK-VIFPVBQESA-N 266.297 0.613 10 10 CCCE CCCN(Cc1ccc(N)cc1)S(=O)(=O)NC 126031220 UGHRPCFTNLMLCJ-UHFFFAOYSA-N 257.359 0.945 10 10 CCCE O=C(N[C@@H]1C=CS(=O)(=O)C1)c1cccc(O)c1O 126463070 SMMPFTXEJZLTRW-SSDOTTSWSA-N 269.278 0.138 10 10 CCCE COC(=O)[C@@H]1CCN(C(=O)c2cccc(O)c2O)C1 126488420 QDKPFYHLDWLTOB-MRVPVSSYSA-N 265.265 0.733 10 10 CCCE C[C@@]1(O)CCN(C(=O)COc2ccc(N)cc2)C1 235434277 JNLJRJGXNKHXNI-CYBMUJFWSA-N 250.298 0.631 10 10 CCCE COc1ccc(O)c([C@@H]2NC(=O)[C@H]3COCCN32)c1 93885538 ZIMYZSRLGHGYJX-ZYHUDNBSSA-N 264.281 0.230 10 10 CCCE CCS(=O)(=O)CCNC(=O)Nc1ccc(N)cc1 233807061 UKTMSIFWEMNPDQ-UHFFFAOYSA-N 271.342 0.825 10 10 CCCE COC(=O)[C@@H](NCCCN=[N+]=[N-])c1cn(CCCO)nn1 90639307 KLYSDOZOTPOTAE-JTQLQIEISA-N 297.319 0.165 10 10 CCCE Cc1nnn(C)c1[C@H](O)[C@@H](N)c1ccc(N(C)C)cc1 2163123296 KBNXSGFJWFRFLR-GXTWGEPZSA-N 275.356 0.923 10 10 CCCE Cn1cc(C(N)=O)cc1C(=O)NCc1ccccc1O 755769879 SFQGFLDJXYVFQO-UHFFFAOYSA-N 273.292 0.760 10 10 CCCE Nc1ccc(CCNC(=O)NC[C@@H]2CCC(=O)N2)cc1 851666122 ZCKWHTICZJJTFP-LBPRGKRZSA-N 276.340 0.389 10 10 CCCE COC(=O)[C@H]1CN(c2ccc(OC)cc2N)CCO1 1876000195 PIRNHQGDDVDPPR-GFCCVEGCSA-N 266.297 0.656 10 10 CCCE CC(=O)N[C@H](CN(C)Cc1ccccc1O)C(=O)O 1877526141 WYHPTKNOQQIRRK-LLVKDONJSA-N 266.297 0.413 10 10 CCCE Cc1cc(N(C)C)ccc1CN1C[C@H](O)C[C@H]1C(N)=O 895371324 PBODHVWTLDOTBP-KGLIPLIRSA-N 277.368 0.482 10 10 CCCE O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1[C@H]2COC[C@H]21 794228611 WYITYUFNWMOGFG-RPRWOAKOSA-N 261.277 0.872 10 10 CCCE COc1cc(NS(=O)(=O)c2ccnn2C)ccc1O 797819373 HMDIMZMOKJADFY-UHFFFAOYSA-N 283.309 0.935 10 10 CCCE CC(=O)C(=O)[C@@H](O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1881507474 BXFLNPRHFRHDCH-KOLCDFICSA-N 271.313 0.762 10 10 CCCE C[C@H]1NC(=O)CC[C@H]1NC(=O)Cc1ccc(O)c(O)c1 1963160664 NRYILJFOXQVVPY-PSASIEDQSA-N 278.308 0.424 10 10 CCCE CN(CC(=O)O)c1ccc2c(c1)N(C)C(=O)CO2 77430305 IRHWLDWUZBUBPC-UHFFFAOYSA-N 250.254 0.563 10 10 CCCE N[C@@H](c1nnc(CC(=O)O)o1)c1cc(O)ccc1O 83480505 JFOJJUJALGOQJP-SNVBAGLBSA-N 265.225 0.156 10 10 CCCE N[C@@H](CCc1nnc(-c2ccc(O)c(O)c2)o1)C(=O)O 83587931 XIRZNQPWTQTPQA-ZETCQYMHSA-N 279.252 0.492 10 10 CCCE N[C@@H](c1ccc(O)c(O)c1)c1nnc(-c2ncc[nH]2)o1 83536892 NABKLPRFXMJVEP-VIFPVBQESA-N 273.252 0.919 10 10 CCCE O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CCC(=O)NC1=O 1320030088 CLZZWSLICYXXTC-JHYPKJRRSA-N 290.275 0.032 10 10 CCCE CS(=O)(=O)N[C@H]1CCN(c2ccc(CN)c(F)c2)C1 703002478 JGJPCRYXHARKRB-JTQLQIEISA-N 287.360 0.412 10 10 CCCE O=C1NC[C@H]2CN(Cc3ccc(F)c(F)c3O)CCN12 703458459 JAXISRHZJMTMBN-VIFPVBQESA-N 283.278 0.880 10 10 CCCE Nc1ccc(O)c(CN2CCS[C@@H](CO)C2)c1 719975329 ACBUIFNWGGIPDD-LLVKDONJSA-N 254.355 0.884 10 10 CCCE COCCOC[C@@H](O)COCCc1ccc(N)cc1 2119732573 FVWULHAFQKEQIU-AWEZNQCLSA-N 269.341 0.852 10 10 CCCE O=C1N[C@@H]2CN(Cc3ccc(F)c(F)c3O)C[C@@H]2O1 2120407536 VJAYXLIACHKQDU-BDAKNGLRSA-N 270.235 0.963 10 10 CCCE NC(=O)N=Nc1ccc(C(=O)N2CCOCCN2)cc1 1628426788 SBDCCTMSDVNUMH-UHFFFAOYSA-N 277.284 0.826 10 10 CCCE O=C(c1cccc(O)c1O)N1CCO[C@H](c2ncon2)C1 1556175986 HHXUVLCLJCJFDF-JTQLQIEISA-N 291.263 0.695 10 10 CCCE Cc1ccc(C(=O)N2CC[C@H](O)[C@H](CO)C2)c(O)c1O 1638192763 CSAWODVEXORGAW-ONGXEEELSA-N 281.308 0.222 10 10 CCCE Cc1cc(N2C[C@@H]3C[C@H](C2)[C@H](O)[C@@H]3O)ccc1CN 2126162311 RBYNSBOKAJYADR-IKARSPCKSA-N 262.353 0.632 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN1C(=O)CN1CCOCC1 1912155619 IXRALRVJFUULPM-SNVBAGLBSA-N 253.306 0.620 10 10 CCCE CC[C@]1(C)NC(=O)N(CC(=O)N(C)CCN=[N+]=[N-])C1=O 1912191808 WPVJYLRHJXCCSH-NSHDSACASA-N 282.304 0.476 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN1S(=O)(=O)N1CC[C@@H](O)C1 1912184798 HYNTZSIJCFZYPI-RKDXNWHRSA-N 275.334 0.073 10 10 CCCE Nc1ccc(CCOc2c(N)nc(O)nc2O)cc1 2128254893 CVRGXACUKVRLIS-UHFFFAOYSA-N 262.269 0.674 10 10 CCCE N[C@@H]1CCc2cc(N3C[C@H](O)[C@@H]4COC[C@H]43)ccc21 2128313338 RYPBCNXZNNVIDP-TUVASFSCSA-N 260.337 0.829 10 10 CCCE N[C@@H]1CCc2cc(N3CCC[C@H]3[C@@H](O)CO)ccc21 2128313638 VUJLIYUTEOFBEG-ILXRZTDVSA-N 262.353 0.955 10 10 CCCE CO[C@@]1(CNC(=O)CCOc2ccc(N)cc2)CCOC1 159854878 NDWKKAHVFZPGSW-OAHLLOKOSA-N 294.351 0.959 10 10 CCCE COc1ccc(N2CC[C@@H](C)NC(=O)[C@@H]2CO)cc1 252202679 UKPVRKUOSDUWAS-MFKMUULPSA-N 264.325 0.771 10 10 CCCE O=[N+]([O-])c1cc(N2C[C@H](O)C[C@H]2CO)ccc1CO 2132052837 GAOKZRQXOFHCLB-WDEREUQCSA-N 268.269 0.019 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@@H]3C[C@H]3[C@H]2CO)cc1 1905554814 FMAYYKXFLLNGCB-CYZMBNFOSA-N 282.365 0.411 10 10 CCCE C[C@@H]1CC[C@](O)(CNC(=O)c2cc(O)nc(O)c2)C1 2136897705 GJRBVUPRQWMVPH-AMIZOPFISA-N 266.297 0.774 10 10 CCCE COC(=O)CCCS(=O)(=O)Nc1ccc(O)cc1N 234509728 GAEHENYPWHIKRM-UHFFFAOYSA-N 288.325 0.669 10 10 CCCE O=C1CNC[C@H](c2cc(Br)ccc2O)N1 1952071101 OOIPFQHOVMMMRJ-MRVPVSSYSA-N 271.114 0.915 10 10 CCCE CO[C@@H](CCO)CNC(=O)Cc1ccc(O)c(O)c1 1972502842 GXERPEXQOSLMAK-JTQLQIEISA-N 269.297 0.154 10 10 CCCE CN(C)CCNC(=O)c1ccn(-c2ccc(N)cc2)n1 35427788 ODHNYNBRTWOTGF-UHFFFAOYSA-N 273.340 0.746 10 10 CCCE CN(C)c1ccc(C=CC(=O)N[C@H]2COC[C@H]2N)cc1 2149988431 QCWLJYSHMUAMFS-KGLIPLIRSA-N 275.352 0.608 10 10 CCCE C[C@H](O)c1ccc(N2CCOC[C@@H]2[C@H](O)CO)c(F)c1 2146322684 DMXABLHRJSBBNI-CUOATXAZSA-N 285.315 0.437 10 10 CCCE C[C@@H]1CN(S(=O)(=O)Cc2ccc(N)cc2)CC[C@@H]1O 165972631 AEIPZWRUAMNBTR-MFKMUULPSA-N 284.381 0.801 10 10 CCCE CN(C)CCN(CCO)c1ccc2c(c1)NC(=O)[C@@H]2O 2155574733 FQNVJGJZFGSKPP-CYBMUJFWSA-N 279.340 0.032 10 10 CCCE CC1([C@H](CN)NC(=O)c2cccc(O)c2O)CC1 2033111520 HCWFXVYBGDOSQH-JTQLQIEISA-N 250.298 0.955 10 10 CCCE COCCNCc1ccc(N(C)CC(N)=O)c(F)c1 62735601 YEOXSUVGUNAFPP-UHFFFAOYSA-N 269.320 0.483 10 10 CCCE CCCOc1cc(N2CC[C@](O)(CO)C2)ccc1N 313648740 IWWJRJLGNPEOGD-CQSZACIVSA-N 266.341 0.991 10 10 CCCE CNCc1ccc(N2CCN(C)C[C@@H]2CO)c(C)c1 699434270 KHAKGWTUTAXFHX-CQSZACIVSA-N 263.385 0.827 10 10 CCCE CN(C)c1n[nH]c([C@H](N)Cc2ccc(O)c(O)c2)n1 388641502 BSNBMXXOXCMJKK-MRVPVSSYSA-N 263.301 0.524 10 10 CCCE COc1ccc(CNCc2nc(O)n[nH]2)c(O)c1 392401636 QYWNTMWCAUMMGL-UHFFFAOYSA-N 250.258 0.514 10 10 CCCE [N-]=[N+]=NC[C@H]1CCN(C[C@H](O)CN2CCCCC2=O)C1 2169774412 ITTGPFDBHBFEBJ-NEPJUHHUSA-N 281.360 0.992 10 10 CCCE CC1(C)CN(c2ccc3c(c2)NC(=O)[C@@H]3N)CC[S@]1=O 2170967421 DRJMCHBVUSIZTI-MPBGBICISA-N 293.392 0.986 10 10 CCCE CO[C@@H]1C[C@@H](CO)N(C(=O)c2cc(O)c(O)c(O)c2)C1 2188868231 NSJMRRFLOBWGGR-DTWKUNHWSA-N 283.280 0.025 10 10 CCCE O=C(N[C@]12CCC[C@@]1(F)CNC2)c1cc(O)nc(O)c1 2182436497 JIXAERUXWOZKBQ-OLZOCXBDSA-N 281.287 0.457 10 10 CCCE O=C(N[C@@H]1C[C@H]2C[C@H]1C[C@H]2O)c1cc(O)c(O)c(O)c1 2188875666 SNMGDCIQLWVXPI-MVHNUAHISA-N 279.292 0.693 10 10 CCCE CN1CC[C@H](NC(=O)c2cc(O)c(O)c(O)c2)CC1=O 2188927575 GBEZGDGWHYKKAQ-QMMMGPOBSA-N 280.280 0.154 10 10 CCCE NC(=O)[C@@H]1CC[C@H](NC(=O)c2cc(O)c(O)c(O)c2)C1 2188926111 XIOYFLIJGLKDLD-SVRRBLITSA-N 280.280 0.187 10 10 CCCE O=C(O)[C@H](NCc1c(O)cccc1F)C1COC1 2042965740 NXAUGBTZROSVLB-LLVKDONJSA-N 255.245 0.721 10 10 CCCE COCC[C@](O)(COC)[C@H](N)c1ccccc1O 2047288645 OLHAFWOHSCLHKT-OLZOCXBDSA-N 255.314 0.806 10 10 CCCE O=C(O)[C@@H](F)C1CN(Cc2ccc(O)c(O)c2)C1 2048000590 VSGJDGXORWIKFZ-NSHDSACASA-N 255.245 0.952 10 10 CCCE CC[C@@H](CN)NC(=O)c1cc(OC)nc(OC)c1 2048068710 PCGNWFPXXNGGRI-VIFPVBQESA-N 253.302 0.566 10 10 CCCE Oc1cccc(CNC[C@@]2(O)CCCOC2)c1O 2049110734 JNMNIIWMPLDHJJ-ZDUSSCGKSA-N 253.298 0.729 10 10 CCCE NC(=O)c1c(NS(=O)(=O)CCO)sc2c1CCC2 2054505919 OXMCJUKPERZNDT-UHFFFAOYSA-N 290.366 0.070 10 10 CCCE Cc1cc(CN)ccc1N1C[C@H](O)[C@H](O)C1(C)C 2060873448 BPOBEFGTNMQJSS-STQMWFEESA-N 250.342 0.774 10 10 CCCE O=C(N[C@@H](CO)C[C@H]1CCOC1)c1cc(O)nc(O)c1 2195492740 MJHVWUVFPNYKOA-PSASIEDQSA-N 282.296 0.010 10 10 CCCE CCC[C@H](CN)NS(=O)(=O)Cc1ccc(N)cc1 2071663180 AZZIPBAULICQAG-GFCCVEGCSA-N 271.386 0.816 10 10 CCCE C[C@H](N)CCCNS(=O)(=O)Cc1ccc(N)cc1 2071659709 GETCUSFOXGOWEF-JTQLQIEISA-N 271.386 0.816 10 10 CCCE C[C@@H](NC(=O)[C@@H](N)CC(=O)O)c1ccccc1O 2072492202 ZKXQQGXLDMJDPV-APPZFPTMSA-N 252.270 0.371 10 10 CCCE C[C@H](c1cc(F)ccc1O)N1CC(O)(C(=O)O)C1 2081034914 IRVCHOIYPCOMOB-SSDOTTSWSA-N 255.245 0.724 10 10 CCCE CC[C@H]1CC[C@@H](NC(=O)c2cc(O)nc(O)c2)CN1 2102260946 MZOHODDWWPAHJS-VHSXEESVSA-N 265.313 0.753 10 10 CCCE COc1cc(N2CCC2(CO)CO)ccc1CN 2084016287 IPUOLUAZJMULQU-UHFFFAOYSA-N 252.314 0.087 10 10 CCCE COC[C@@H](OC)C(=O)NCc1cccc(C)c1O 2084052177 IWFXYMCLGVPJIZ-LLVKDONJSA-N 253.298 0.978 10 10 CCCE NC(=O)CN(Cc1ccc(N)cc1)C(=O)N1CCC1 2105079982 KXEAUFHDJHKLEY-UHFFFAOYSA-N 262.313 0.382 10 10 CCCE C[C@H](CNC(=O)Cc1ccc(N)cc1)[C@H](F)C(=O)O 2105541922 LQZFUYWRCBKBKP-PELKAZGASA-N 268.288 0.986 10 10 CCCE CN1CCc2cc([C@H](O)CN3CCNCC3)ccc21 2106796317 PQTHKWNWCSWBOM-OAHLLOKOSA-N 261.369 0.618 10 10 CCCE COc1ccc(CNC[C@H]2CCS(=O)(=O)N2)c(O)c1 2089998138 HKPGNKSREQAXQG-SNVBAGLBSA-N 286.353 0.182 10 10 CCCE C[C@H]1C[C@@H]1N(CCO)S(=O)(=O)Cc1ccc(N)cc1 2110795279 SMTVBLBEDAKWFV-GWCFXTLKSA-N 284.381 0.801 10 10 CCCE CNCc1ccc(N2CCOC[C@@H](CO)C2)c(F)c1 2098209882 ZHCPMMXZZIVKJO-GFCCVEGCSA-N 268.332 0.990 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC[C@@H](CCO)C2)cc1 122887352 JZOPAGSWZJZMPI-NSHDSACASA-N 284.381 0.803 10 10 CCCE COc1cc(N2CC[C@H]3C(=O)NC[C@@H]3C2)ccc1CN 2204554396 MLHCGLQVYYRLRN-DGCLKSJQSA-N 275.352 0.726 10 10 CCCE CN1CCN(c2ccc3c(c2)OCCCO3)[C@@H](CO)C1 2235122329 ZCYRCKGMDHKEKE-CYBMUJFWSA-N 278.352 0.961 10 10 CCCE COc1ccc(N2CC[C@H]3CC(=O)N[C@@H]3C2)c(CN)c1 2235970327 ONWDHLORGKWINR-GXFFZTMASA-N 275.352 0.869 10 10 CCCE CNCc1cc(OC)ccc1N1CCOC[C@H]1CO 2227676258 SRZWVHFSXYZONX-GFCCVEGCSA-N 266.341 0.612 10 10 CCCE O=C(N[C@@H]1CC[C@H]2CC[C@H]1N2)c1cc(O)nc(O)c1 2229827495 NRBJCGHJPCQGHI-OPRDCNLKSA-N 263.297 0.506 10 10 CCCE COC[C@@H]1[C@H](O)[C@H](O)CN1c1ccc([C@H](C)N)cc1C 2240839126 BWSDXGZQEGHISX-QOWREQOWSA-N 280.368 0.572 10 10 CCCE Oc1ccc(CN[C@@H]2COC3(COC3)C2)cc1O 2258421605 VWDXACDKYVNYGN-JTQLQIEISA-N 251.282 0.745 10 10 CCCE CC[C@@H](C)[C@@H](NC(=O)COc1ccc(N)cc1)C(N)=O 2296249239 HPNSWIXCGBSMLZ-NOZJJQNGSA-N 279.340 0.664 10 10 CCCE O=C1Nc2cc(N3CC[C@@H]3[C@H](O)CO)c(Cl)cc2[C@H]1O 2286225645 KASKCUCYVYVDGD-YUSALJHKSA-N 298.726 0.257 10 10 CCCE CN(C)c1ccc([C@@H](N)[C@@]2(O)COC3(COC3)C2)cc1 2286255551 QDUAGJNTFBWBII-HIFRSBDPSA-N 278.352 0.673 10 10 CCCE CNCc1ccc(N2CC3(CNC(=O)CO3)C2)c(Cl)c1 2289733522 QAUJYNVDQWWBJH-UHFFFAOYSA-N 295.770 0.765 10 10 CCCE CCS(=O)(=O)N(C)N[C@H](C)c1ccc(O)cc1O 2317489873 MPALTVYRCYNNAA-MRVPVSSYSA-N 274.342 0.945 10 10 CCCE [N-]=[N+]=NCCCN[C@H](C(N)=O)[C@@H]1C[C@@H]2CC[C@H]1O2 2309369511 ZUPCLYUYBTYSLC-JLIMGVALSA-N 253.306 0.698 10 10 CCCE Nc1ccc(NC(=O)NCC[C@@H](O)CCO)cc1 2326763944 BUCOYRSBVABDHO-LLVKDONJSA-N 253.302 0.524 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3C[C@@H]4C[C@@H](O)[C@H]3C4)ccc21 2330781698 JLADARDJPWPRJO-LDICSKNTSA-N 259.309 0.598 10 10 CCCE NCc1ccc(N2CC[C@@H]3C[C@H]2[C@@H](O)[C@@H]3O)cc1F 2332600221 ZUJOAPGRHVZMGZ-DSMZTOPNSA-N 266.316 0.605 10 10 CCCE CN[C@@H](C)c1ccc(N2C[C@@H](O)C[C@H]2CO)cc1O 2335176670 OPEWSBYAQKXWKK-DLOVCJGASA-N 266.341 0.605 10 10 CCCE N[C@H]1CC[C@@H]2CN(C(=O)c3cc(O)c(O)c(O)c3)C[C@H]12 2356975317 RNDMBEOPKHOKQF-JEZHCXPESA-N 278.308 0.613 10 10 CCCE CC(=O)c1ccc(O)c(CN2C[C@@H](CO)[C@@H](O)C2)c1 317203301 JVKYMEYJSRMRIK-JSGCOSHPSA-N 265.309 0.380 10 10 CCCE CN(CC(=O)N1CCNCC1)Cc1ccc(N(C)C)cc1 38030982 XNABTZNWNBLQQC-UHFFFAOYSA-N 290.411 0.616 10 10 CCCE C[C@H]1CCOC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2132407736 RCPGMEWXZGGMHM-CBAPKCEASA-N 267.281 0.958 10 10 CCCE O=C(N[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)O)c1cc(O)nc(O)c1 227123342 XBOVNCPPKQAVFL-PFSXBIFSSA-N 292.291 0.722 10 10 CCCE CNC(=O)CN1CCN(c2ccc([C@H](C)O)cc2)CC1 700789935 ZSNCCEOMHPMOFI-LBPRGKRZSA-N 277.368 0.608 10 10 CCCE CN(C)[C@H]1[C@@H]2CN(c3ccc4c(c3)NC(=O)[C@@H]4N)C[C@@H]21 384978061 YURUNSYYKJYBBC-WVWOOGAGSA-N 272.352 0.635 10 10 CCCE CC1(C)CCc2cc(N3CC(N)(C(N)=O)C3)ccc2O1 2166550426 XWLNNXOLUIEUJX-UHFFFAOYSA-N 275.352 0.793 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N3CC(C[S@](C)=O)C3)cc21 2166654639 VSBHKCNXXQBEMH-RBZFPXEDSA-N 293.392 0.478 10 10 CCCE COc1cc(C(=O)NC2CC3(CNC3)C2)cc(OC)n1 2166941616 YRVCSURFEAQTRN-UHFFFAOYSA-N 277.324 0.581 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@H](O)C3(CCC3)C2)cc1 2165083462 UTUWUJSGFZSMFW-ZDUSSCGKSA-N 296.392 0.945 10 10 CCCE CC(=O)C(=O)COC(=O)[C@@H]1Oc2ccccc2O[C@@H]1C 808499158 LYSDDAFAIWOSAS-NOZJJQNGSA-N 278.260 0.916 10 10 CCCE NS(=O)(=O)C1(CNCc2cc(F)ccc2O)CCC1 721515532 WMHINXNXJOHBIN-UHFFFAOYSA-N 288.344 0.832 10 10 CCCE COc1cccc(CN[C@H]2CCn3nnnc3C2)c1O 1875667881 XSGKXOHVRGBLSI-JTQLQIEISA-N 275.312 0.492 10 10 CCCE C[C@@]1(CN)CCN(S(=O)(=O)Cc2ccc(N)cc2)C1 1876172237 XHTPVVMCTLKWCT-ZDUSSCGKSA-N 283.397 0.769 10 10 CCCE C[C@H]1CN(c2cc3c(cc2N)OCC(=O)N3)C[C@@H]1N 1876305037 WODSEQFSBXCSTG-CBAPKCEASA-N 262.313 0.383 10 10 CCCE C[C@H](N)[C@@H]1CCN(C(=O)COc2ccc(N)cc2)C1 1876457813 YPQIGCIWFWWKEK-WDEREUQCSA-N 263.341 0.843 10 10 CCCE C[C@@H]1C[C@@H](CNC(=O)COc2ccc(N)cc2)CN1 1876519918 CGNALIHOHJHDBJ-GHMZBOCLSA-N 263.341 0.762 10 10 CCCE C[C@@H](NC(=O)C1CC(O)(CN)C1)c1ccccc1O 1877584794 HPTUEJAOUXWQGF-NAUIOFCNSA-N 264.325 0.669 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@H]2COCC[C@H]21 1878819214 OPASXBMKGFVJAG-DTWKUNHWSA-N 265.265 0.664 10 10 CCCE COc1nn(C)cc1CNC(=O)c1cccc(O)c1O 1180307430 NRVXPFRVSNSGHM-UHFFFAOYSA-N 277.280 0.770 10 10 CCCE C[C@H]1C(=O)NC(=O)[C@H](C)N1c1ccc2c(c1)OCO2 74414422 TVBDOFSIOVMLSB-YUMQZZPRSA-N 262.265 0.655 10 10 CCCE COc1cc(O)c([C@@H](N)c2nnco2)c(OC)c1 83384319 KUFWYXYMPNBJEE-SNVBAGLBSA-N 251.242 0.841 10 10 CCCE Nc1ccc(OCC(=O)N[C@]23CCNC[C@H]2C3)cc1 1892528094 MANHSMMWODUAQC-YGRLFVJLSA-N 261.325 0.516 10 10 CCCE C[S@](=O)C1CN(C[C@H](O)COc2ccc(N)cc2)C1 2115307126 VSWICADMSMMRKX-WLRWDXFRSA-N 284.381 0.071 10 10 CCCE CC(C)C[C@H](CO)CNC(=O)c1cc(O)nc(O)c1 2120739855 KNHXSXULYRDKPT-VIFPVBQESA-N 268.313 0.877 10 10 CCCE Nc1ccc(CCCN2CC(OCC(=O)O)C2)cc1 2123061472 ZENWVXRZDDGFEZ-UHFFFAOYSA-N 264.325 0.987 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)[C@@H]1CN2CCN1CC2 2123020845 QWICRDPKKRWULL-QWRGUYRKSA-N 264.333 0.288 10 10 CCCE CCO[C@H]1CS(=O)(=O)C[C@@H]1N1CCC[C@H]1CN=[N+]=[N-] 2123004374 JGQXWKVHKUFTOW-DCAQKATOSA-N 288.373 0.963 10 10 CCCE C[C@@H]1CCNC(=O)[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 1568086622 YTIRNICAFKOABZ-AMIZOPFISA-N 278.308 0.281 10 10 CCCE CC(=O)c1ccc(O)c(CN2CC(=O)NC[C@H]2C)c1 2124761438 IYUNYJJNYKFWBJ-SECBINFHSA-N 262.309 0.915 10 10 CCCE COC(=O)CS(=O)(=O)N1CCC[C@H](CN=[N+]=[N-])C1 1912160122 QRBBPQADJJECFA-MRVPVSSYSA-N 276.318 0.512 10 10 CCCE CN1C[C@@H]2[C@@H](CCC[C@@]2(NCCCN=[N+]=[N-])C(N)=O)C1 1912157255 SDLZHBXYXSLWHY-LOWVWBTDSA-N 280.376 0.862 10 10 CCCE [N-]=[N+]=NCCN1CCC(N2CCCS2(=O)=O)CC1 1912156907 OJFRKLXBZYWAKN-UHFFFAOYSA-N 273.362 0.797 10 10 CCCE CN1c2cc3c(cc2[C@@H](O)C[C@H]1C(=O)O)OCO3 250416549 XXIYSMJQDOPDRQ-IUCAKERBSA-N 251.238 0.742 10 10 CCCE N[C@@H](CNCc1ccc2c(c1)CCO2)CC(=O)O 259029209 ZIKBVFCVVAOLHM-LLVKDONJSA-N 250.298 0.513 10 10 CCCE Nc1ccc(N2C(=O)C[C@@H]3COC[C@@H]3NC2=O)cc1 2131395127 PFFAULMWMZDAPM-KCJUWKMLSA-N 261.281 0.730 10 10 CCCE O=C(N[C@@H]1CC[C@H]2C[C@]21CO)c1ccc(O)c(O)c1 2132099393 CJFIKNIEZSCTPJ-BHYNMZESSA-N 263.293 0.989 10 10 CCCE CSC[C@](C)(O)CNC(=O)c1cc(O)c(O)c(O)c1 2132348188 GEPXLLRCXDARAN-GFCCVEGCSA-N 287.337 0.647 10 10 CCCE CN[C@@H]1C[C@@H](C)N(C(=O)c2cc(O)c(O)c(O)c2)C1 2132399226 DKNPBGQWVRPUDH-VXNVDRBHSA-N 266.297 0.626 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CC2(CC[C@H]2O)C1 2132349284 BCZOIXAUZLOFQA-SNVBAGLBSA-N 265.265 0.400 10 10 CCCE C[C@@H](O)C[C@@H](C)CNC(=O)c1cc(O)c(O)c(O)c1 2132348484 MMWSRCAZIHOTMO-HTQZYQBOSA-N 269.297 0.940 10 10 CCCE CC1(NCCc2ccc(N)cc2)CS(=O)(=O)C1 1918375837 QSUZNJRLIPIJJT-UHFFFAOYSA-N 254.355 0.588 10 10 CCCE CO[C@@H]1C[C@@H](C(=O)O)N(Cc2ccc(O)cc2O)C1 2136360327 RQENMFZZMWZHQG-MNOVXSKESA-N 267.281 0.772 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@]1(CN)CCCO1 1923290791 JGLCBKKFRHJDPS-CQSZACIVSA-N 264.325 0.859 10 10 CCCE COC[C@@](C)(CO)CNCc1ccc(O)c(O)c1O 1927000090 NKGUDSCMGXFSHF-CYBMUJFWSA-N 271.313 0.538 10 10 CCCE NC1CC2(C1)[C@H](C(=O)C(=O)C[C@H]1C[C@H](N)C1)C2(F)F 2142149084 KETWZEWRJPRFKU-UIUQWOAWSA-N 272.295 0.625 10 10 CCCE CC(=O)C(=O)c1c[nH][nH]c1=NC(=O)OC(C)(C)C 1952156971 FONZUMJXOMJCQF-UHFFFAOYSA-N 253.258 0.950 10 10 CCCE COc1cc(C2(C[C@@H](N)C(=O)O)CC2)cc(O)c1O 1952529445 VRTBYXLHDNPTQS-MRVPVSSYSA-N 267.281 0.940 10 10 CCCE C[C@H]1CCNC[C@H]1NC(=O)Cc1ccc(O)c(O)c1 1971470151 JOEWLHJQAVAPGY-GXSJLCMTSA-N 264.325 0.755 10 10 CCCE O=S1(=O)CC[C@H]1CNCc1ccc(F)cc1O 1972340792 ZLMXNJXDNSMONK-JTQLQIEISA-N 259.302 0.808 10 10 CCCE COC[C@H](O)CN(C)CC(=O)Nc1ccc(N)cc1 42483075 LEVSDTQGXOCWQE-GFCCVEGCSA-N 267.329 0.146 10 10 CCCE N[C@H](CC(=O)O)c1c(O)c(F)cc2c1OCCO2 258436429 RHRXCYQRYQRXCR-ZCFIWIBFSA-N 257.217 0.777 10 10 CCCE C[C@@]1(C(=O)NCCc2ccc(O)c(O)c2)COC[C@@H]1N 2148004534 PGHALPSSURSJCT-GXTWGEPZSA-N 280.324 0.120 10 10 CCCE C[C@@H]1C[C@@H]1C(=O)N(CC(N)=O)Cc1ccc(N)cc1 35366567 HXIWGUDIDRDZJL-SKDRFNHKSA-N 261.325 0.739 10 10 CCCE CN(C(=O)Cc1ccc(O)c(O)c1)C(C)(C)CN 2027486092 XWUYFDCPJJQCGA-UHFFFAOYSA-N 252.314 0.836 10 10 CCCE Nc1ccc(CN2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)cc1 2028423432 SAZTYZUDNSVKCP-WCQYABFASA-N 266.366 0.888 10 10 CCCE Oc1ccc(CN[C@@H]2CO[C@@H]3COC[C@H]23)c(O)c1 2040340721 GDYGPOSXSLOTMW-NQBHXWOUSA-N 251.282 0.601 10 10 CCCE CO[C@]1(CO)CCCN(C(=O)c2cccc(O)c2O)C1 401745821 UYGOSVKSNDPNCW-CQSZACIVSA-N 281.308 0.711 10 10 CCCE CC1(C)[C@H](O)CCN1C[C@H](O)COc1ccc(N)cc1 313627874 YZQJSIAELCCZRB-GXTWGEPZSA-N 280.368 0.854 10 10 CCCE Cn1cc(NC(=O)[C@H]2CNc3ccccc3N2)nn1 701900203 DCRITDIYDWXVQS-SNVBAGLBSA-N 258.285 0.660 10 10 CCCE C[C@H]1C[C@@H](O)CCN1c1cc2c(cc1N)OCC(=O)N2 705652801 ZWJCELSVKLBYEE-IUCAKERBSA-N 277.324 0.949 10 10 CCCE CN1CCN(c2c(F)cc(CO)cc2F)[C@H](CO)C1 699543435 NIFGROZTVZYEBY-JTQLQIEISA-N 272.295 0.570 10 10 CCCE CCN[C@H](c1ccc2c(c1)CCN2C)c1nnn(C)n1 2163140820 NRIVWAYUPVVZGZ-CYBMUJFWSA-N 272.356 0.901 10 10 CCCE COC(CN(C)C[C@H](O)COc1ccc(N)cc1)OC 714667359 WGUWJXGDDQFSEE-LBPRGKRZSA-N 284.356 0.559 10 10 CCCE CO[C@@H]1COC[C@H]1N(C)c1ccc(CO)cc1[N+](=O)[O-] 2177268575 XAQDZEUCJHWIFK-CHWSQXEVSA-N 282.296 0.937 10 10 CCCE COC[C@@](C)(CO)NC(=O)CCOc1ccc(N)cc1 716886329 PTGRLCLZSIELSZ-CQSZACIVSA-N 282.340 0.551 10 10 CCCE C[C@@](O)(CNCc1ccc(O)c(O)c1O)C(F)F 698684426 QYXIALZDAXHTON-LLVKDONJSA-N 263.240 0.909 10 10 CCCE CCN1CC[C@@H](NC(=O)c2ccc(O)c(O)c2)C1 389974411 ILDSUHFKAIEMOV-SNVBAGLBSA-N 250.298 0.922 10 10 CCCE C[C@@H](NC[C@H]1CN2CCN1CC2)c1cc(O)ccc1O 394707699 UDXCBDVJEAKBPP-NEPJUHHUSA-N 277.368 0.748 10 10 CCCE CN[C@H](C)c1ccc(N2CC[C@H](O)[C@@H](CO)C2)cc1O 396792814 BZEIFMRYTUCBQV-GYSYKLTISA-N 280.368 0.852 10 10 CCCE CCN1CCc2cc([C@@H](O)CN3CC(CN)C3)ccc21 2169286620 FOPZYFGNBPVRPG-INIZCTEOSA-N 275.396 0.993 10 10 CCCE Nc1ccc(OCCS(=O)(=O)N[C@@H]2[C@@H]3CCO[C@H]32)cc1 2176424552 WLIGYXADEIQGPI-YNEHKIRRSA-N 298.364 0.354 10 10 CCCE C[C@@H]1[C@H](C(=O)O)CCN1C(=O)c1cc(O)c(O)c(O)c1 2188868780 WVXOHBARYROCQU-HTRCEHHLSA-N 281.264 0.739 10 10 CCCE O=C(NC1C[C@@H]2CNC[C@H]2C1)c1cc(O)c(O)c(O)c1 2188919159 KTTARTJHGRHXAH-RKDXNWHRSA-N 278.308 0.531 10 10 CCCE N[C@H]1CCc2cc(N3CCN4C[C@@H](O)C[C@H]4C3)ccc21 2184743451 KDPATZUPMNADJI-DZKIICNBSA-N 273.380 0.888 10 10 CCCE CCN[C@H]1CCc2cc(N3CC(=O)NC(=O)C3)ccc21 2184720992 HJCSWZNYQQTRCX-ZDUSSCGKSA-N 273.336 0.746 10 10 CCCE CCNCc1ccc(N2C[C@H](O)C[C@@H](O)C2)cc1 2043132341 PXLSKNYPRXMCAC-ZIAGYGMSSA-N 250.342 0.728 10 10 CCCE C[C@H](NC[C@](C)(O)CCO)c1ccc(O)cc1O 2045304604 HGDHPSREKIKMKB-TVQRCGJNSA-N 255.314 0.882 10 10 CCCE CN[C@@H]1CCN(C(=O)c2ccc(O)c(O)c2)[C@@H]1C 2051933141 SYGIOEZUKHFTKS-PSASIEDQSA-N 250.298 0.920 10 10 CCCE Cn1cc(C(=O)NCC2(CN=[N+]=[N-])CC2)nc1O 2054028010 AFCVKQHINACCTH-UHFFFAOYSA-N 250.262 0.946 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3C[C@H]4CC[C@]4(CO)C3)ccc21 2198876849 BPZSBWXVLPCZDM-ZDBHGNHJSA-N 273.336 0.847 10 10 CCCE Nc1ccc(NC(=O)N[C@@H]2CCNCC[C@H]2CO)cc1 2191525140 HRQDCXYSUABHFE-GXFFZTMASA-N 278.356 0.751 10 10 CCCE CNCCN(C)C(=O)c1ccn(-c2ccc(N)cc2)n1 2191651945 LXQHVBOLUZAYIW-UHFFFAOYSA-N 273.340 0.746 10 10 CCCE Nc1ccc(OC[C@H](O)CN2C[C@@H]3C[C@@H]3[C@@H]2CO)cc1 2198999478 ZYLSDSCWHLXZST-FDEJFUCISA-N 278.352 0.321 10 10 CCCE NC(=S)c1cncnc1NC(=O)c1cccc(O)c1O 2186610881 QFTQPCSRVYPKIE-UHFFFAOYSA-N 290.304 0.774 10 10 CCCE O=C(N[C@@]12COC[C@H]1C2)c1cc(O)c(O)c(O)c1 2068577905 PTMBCVNVAFOYQD-KRTXAFLBSA-N 251.238 0.322 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CCO[C@H]2C[C@@H]21 2068615914 UTMYITRTTGDNMM-XVKPBYJWSA-N 251.238 0.417 10 10 CCCE CC(=O)N(C)CC(=O)NCc1cccc(C)c1O 2084056773 LWEFUVJYCIFVEE-UHFFFAOYSA-N 250.298 0.795 10 10 CCCE COC1(C(N)=O)CN(c2ccc([C@H](C)N)cc2F)C1 2104899941 GWSYYPIDYRKSMM-QMMMGPOBSA-N 267.304 0.536 10 10 CCCE CN[C@@H]1COC[C@H]1[C@H](O)c1ccc2c(c1)CCN2C 2106805387 NCAUEGOSVDCDAX-UMVBOHGHSA-N 262.353 0.947 10 10 CCCE CN(C)[C@@H]1CN(C(=O)Nc2ccc(N)cc2)C[C@H]1O 2089927885 VKTNDLYZQVNQRM-VXGBXAGGSA-N 264.329 0.407 10 10 CCCE CN(C)[C@@H]1CN(CCCc2ccc(N)cc2)C[C@@H]1O 2090609064 CSCDIZGASHSUDP-CABCVRRESA-N 263.385 0.808 10 10 CCCE CN(C)c1ccc(CN2CCOCC23CNC3)cc1 2111335874 JCRVWFSLOTUUOG-UHFFFAOYSA-N 261.369 0.927 10 10 CCCE C[C@@H]1COC[C@@H](C(=O)N(C)Cc2ccccc2O)N1 2112022930 SSEIRDSFLFYNPM-PWSUYJOCSA-N 264.325 0.728 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CCN[C@@H]2CC[C@@H]21 2112062012 OJMDOWIGXPSCAI-MNOVXSKESA-N 262.309 0.603 10 10 CCCE O=C(O)[C@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)O1 2097046810 HDDMQZOFAMOWGE-SNVBAGLBSA-N 267.237 0.257 10 10 CCCE O=C(c1cccc(O)c1O)N1CC[C@]2(C[C@@H](O)CO2)C1 2201755773 RLZMTUQJGQLXRK-OTYXRUKQSA-N 279.292 0.464 10 10 CCCE Cc1ccc(CN2CCN3C(=O)[C@H](N)C[C@H]3C2)c(O)c1 2204635927 LKZPTGOFCRSBFV-QWHCGFSZSA-N 275.352 0.444 10 10 CCCE CSc1ncc(CNC(=O)c2c[nH]c(=NN)cn2)s1 2269319736 LMEVBUATSPXWBO-UHFFFAOYSA-N 296.381 0.293 10 10 CCCE C[C@H](NC(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-])S(C)(=O)=O 2218741003 AXGIOIDYZSUOBO-BWZBUEFSSA-N 275.334 0.908 10 10 CCCE COc1ccc(N2C[C@@H](O)C[C@H]2CO)c(OC)c1 2219648342 YVPZVSBVBZWQIK-UWVGGRQHSA-N 253.298 0.636 10 10 CCCE CN1CCc2cc(N3CC[C@@H](N4CC(O)C4)C3)ccc21 2235123120 WEEHYACMFNZTBI-CQSZACIVSA-N 273.380 0.934 10 10 CCCE COc1ccc(N2CC[C@H](OCC(N)=O)C2)c(CO)c1 2235999905 OLVOVBAQMJKSMS-LBPRGKRZSA-N 280.324 0.268 10 10 CCCE O[C@@H]1C[C@H]2C[C@@H]([C@H]1O)N(c1ccc3c(c1)CCO3)C2 2226746669 QOIVEIAVDJFQRP-MSELDCQNSA-N 261.321 0.942 10 10 CCCE Oc1ccc(F)cc1CN1CC(CN2CCNCC2)C1 2236846523 XFTORXVZQHPTJI-UHFFFAOYSA-N 279.359 0.868 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)[C@]23CCCO[C@@H]2CNC3)C1 2228730769 OCOKVBUDUDCNMD-FTUHBYGFSA-N 266.341 0.021 10 10 CCCE NC(=O)COCCN1CCN(c2ccc(N)cc2)C1=O 2241015303 OIBOTCFWARSWQT-UHFFFAOYSA-N 278.312 0.013 10 10 CCCE CSc1ncc(CNC(=O)[C@H]2C[C@@H](N)CCO2)s1 2257088092 UDSKPJPUVCAVEJ-IONNQARKSA-N 287.410 0.988 10 10 CCCE CSc1ncc(CNC(=O)[C@]2(N)CCCOC2)s1 2257076304 ZIIHOLIEGVVCSX-NSHDSACASA-N 287.410 0.989 10 10 CCCE Cc1cc(N2CC[C@@](O)(CO)C2)ccc1[C@H](C)O 2257470697 HDKQDFDYYHSTAZ-FZMZJTMJSA-N 251.326 0.982 10 10 CCCE OCc1cc(F)c(N2CC[C@H]2[C@@H](O)CO)c(F)c1 2258328648 DYYPZCBVGDOAFO-QWRGUYRKSA-N 259.252 0.389 10 10 CCCE CSc1ncc(CNCC2=C[C@@H](O)[C@@H](N)C2)s1 2248744666 SXYVJLLRVKAIJW-VHSXEESVSA-N 271.411 0.973 10 10 CCCE COc1ncc([C@@H](NCCCN=[N+]=[N-])C(=O)O)cn1 2266802712 NSUZDIZGWGAEEW-MRVPVSSYSA-N 266.261 0.901 10 10 CCCE CC(C)C[C@@H](NS(=O)(=O)Cc1ccc(N)cc1)C(N)=O 2279097712 GVXQVJPGJCMLJD-GFCCVEGCSA-N 299.396 0.588 10 10 CCCE Cn1c(=O)cc(O)n(CCCc2ccc(N)cc2)c1=O 2280563323 VXMIXPUJKHXTAG-UHFFFAOYSA-N 275.308 0.468 10 10 CCCE COc1cc(OC)c(N2CC[C@](O)(CO)C2)cc1OC 2289447628 ASFAIURFGUORDD-CQSZACIVSA-N 283.324 0.646 10 10 CCCE COCCN(CCOC)C(=O)c1cc(O)c(O)c(O)c1 586734947 CJTPTXBEKMEREO-UHFFFAOYSA-N 285.296 0.538 10 10 CCCE Cc1cc(N2C[C@H]3CS(=O)(=O)[C@@H]3C2)ccc1CO 2314879212 AYBCOVGKPCWWBZ-WCQYABFASA-N 267.350 0.721 10 10 CCCE CCN(CCN=[N+]=[N-])C[C@@H](O)CN1CCOCC1 2315989972 WAIPATJJTHYPRN-LLVKDONJSA-N 257.338 0.312 10 10 CCCE Nc1ccc(CCN2[C@H]3CC[C@@H]2C[C@@H](O)[C@@H]3O)cc1 2331966435 IRFLQMBMTQOJLC-LXTVHRRPSA-N 262.353 0.770 10 10 CCCE CNC(C)(C)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 61318187 ZTANFHBXLCJCJY-VIFPVBQESA-N 296.323 0.208 10 10 CCCE C[C@@H]1C[C@H](N)CN(C(=O)c2cccc(O)c2O)C1 126710293 UJNQQOYTSGOWOX-BDAKNGLRSA-N 250.298 0.907 10 10 CCCE CN[C@@H](CO)CCN1CCN(c2ccc(OC)cc2)CC1 70339718 NGRZSXGKBHYJBO-CQSZACIVSA-N 293.411 0.788 10 10 CCCE CNC(=O)[C@@H]1CCCN1CCC(=O)Nc1ccc(N)cc1 42391048 BTLLPHKQJCRYIB-ZDUSSCGKSA-N 290.367 0.808 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3CCn4ccnc4C3)cc21 131387507 CZBQEQYPVRKTBR-CQSZACIVSA-N 283.335 0.880 10 10 CCCE CNC(=O)[C@H]1CCCN1C[C@@H](O)COc1ccc(N)cc1 220032117 DZINTUPQCAUVRU-TZMCWYRMSA-N 293.367 0.219 10 10 CCCE CN(C)C(=O)NCCNCc1cccc(O)c1O 132245621 QLHQDUHHZUFFAW-UHFFFAOYSA-N 253.302 0.459 10 10 CCCE COC[C@H](O)CN(C)Cc1cccc(OC)c1O 92256474 OUQLTOAAQHFANH-LLVKDONJSA-N 255.314 0.840 10 10 CCCE CCOc1ccc2c(c1)C(=O)NCCN2CC(=O)O 527430250 FJEAJXXYMVHWEB-UHFFFAOYSA-N 264.281 0.720 10 10 CCCE CC(=O)C(=O)CSc1nnc(-c2cccs2)n1N 808010600 FFRXTHPOMWFMPJ-UHFFFAOYSA-N 282.350 0.971 10 10 CCCE CCN(CC(=O)OCC(=O)C(C)=O)C(=O)OC(C)(C)C 808518509 JRGUBKOLKJRGTE-UHFFFAOYSA-N 287.312 0.945 10 10 CCCE NC[C@]1(CO)COCCN1c1ccc(OC2CC2)cc1 2162674097 XBEGIPLTPIXZAS-HNNXBMFYSA-N 278.352 0.754 10 10 CCCE CCN1CCc2cc([C@@H](NN)[C@H]3CCS3(=O)=O)ccc21 2163157085 YEMKMZDIJFRKRT-ZIAGYGMSSA-N 295.408 0.761 10 10 CCCE COc1ccc(CNC(=O)[C@H]2CCCN(C)C2=O)c(O)c1 831032532 GIAPRAMTMQSYGS-GFCCVEGCSA-N 292.335 0.885 10 10 CCCE CN[C@H](C)c1ccc2c(c1)CCN2CCS(N)(=O)=O 162145646 GYCDSKGJHKBOQZ-SNVBAGLBSA-N 283.397 0.618 10 10 CCCE Cc1cccc(CNC2CN(S(=O)(=O)N(C)C)C2)c1O 862536706 LZYKMSQHFWVIDH-UHFFFAOYSA-N 299.396 0.281 10 10 CCCE NC(=O)C[C@H]1CN(Cc2cc3c(cc2O)OCO3)CCO1 862534450 CBAYNFWZFKJBMB-JTQLQIEISA-N 294.307 0.197 10 10 CCCE Cc1ccc(C(=O)O[C@H]2CCNC2=O)c(O)c1O 770008987 SENXOCDQAZHCLW-QMMMGPOBSA-N 251.238 0.452 10 10 CCCE Nc1cc2c(cc1N1CCCNCC1)CCC(=O)N2 1876290008 AXKRENXJSQOAHE-UHFFFAOYSA-N 260.341 0.953 10 10 CCCE Nc1ccc(CS(=O)(=O)NC[C@@H]2CCCCN2)cc1 1876415284 GOXSQQVKXCLWEG-ZDUSSCGKSA-N 283.397 0.830 10 10 CCCE O=C(CNC(=O)Cc1ccc(O)c(O)c1)NCC1CC1 1137887305 BEQRTEBONKWUQR-UHFFFAOYSA-N 278.308 0.283 10 10 CCCE Nc1ccc(OCC(=O)N2CC(C3CNC3)C2)cc1 1886853926 LTCROSGLQIWUTG-UHFFFAOYSA-N 261.325 0.325 10 10 CCCE NC(=O)C1CCN(c2cc3c(cc2N)OCCO3)CC1 19868540 OKQDKSIMRLARFF-UHFFFAOYSA-N 277.324 0.742 10 10 CCCE Nc1ccc(CS(=O)(=O)NCCOC2CC2)cc1 715055227 IQTCIXHKRNZUFY-UHFFFAOYSA-N 270.354 0.867 10 10 CCCE CC1CN(C(=O)[C@@H](N)Cc2ccc(O)c(O)c2)C1 697540099 PGEOKDQHSLYLPJ-JTQLQIEISA-N 250.298 0.446 10 10 CCCE CCNC(=O)[C@H]1CNCCN1Cc1cc(C)ccc1O 89088904 BWZKKPJFJNRQDZ-CYBMUJFWSA-N 277.368 0.611 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@H]3OCC[C@@H]3C2)cc1 2115399222 BJWXOJVXNXXVKY-DGCLKSJQSA-N 282.365 0.819 10 10 CCCE NC(=O)[C@@H]1OCC[C@@H]1NCc1cc(F)cc(F)c1O 2117459454 KRFQTWNLBSSFQN-GXSJLCMTSA-N 272.251 0.403 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)C1[C@@H]2CS(=O)(=O)C[C@@H]12 2117937180 YOGBNCJYLBBDHW-DJLDLDEBSA-N 284.341 0.578 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCN(C2CC2)C1 1464488899 TYEOCTSCAFLVMC-LLVKDONJSA-N 276.336 0.993 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@H]2[C@@H]3CCCO[C@@H]32)cc1 2119893663 FOYHIPYDHHCMDU-XQQFMLRXSA-N 282.365 0.866 10 10 CCCE NCc1cc(F)c(N2C[C@@H](CO)[C@@H](CO)C2)cc1Cl 2120882814 CABCPDXLOHAADV-AOOOYVTPSA-N 288.750 0.975 10 10 CCCE N[C@H]1CCN(Cc2cc(F)cc(F)c2O)C[C@@H]1CO 2122373906 GLOGKAFWNIAGGB-SKDRFNHKSA-N 272.295 0.812 10 10 CCCE C=CC(=O)N(C)CC(=O)NCc1cc(O)ccc1O 1558175374 ODBUNIUUFZSZKQ-UHFFFAOYSA-N 264.281 0.358 10 10 CCCE O=C(c1c(F)ccc(O)c1O)N1CC[C@H](CO)C1 1558960774 BOZVGKAPLLLLDI-ZETCQYMHSA-N 255.245 0.691 10 10 CCCE NC(=O)CN(C(=O)Cc1ccc(O)c(O)c1)C1CCCC1 1565636451 QQABHPBATRXGKG-UHFFFAOYSA-N 292.335 0.897 10 10 CCCE C[C@H](NCC1CN(C(N)=O)C1)c1cc(O)ccc1O 2124813168 NJKVCCLADKLCEL-QMMMGPOBSA-N 265.313 0.759 10 10 CCCE [N-]=[N+]=NC1CCN(C(=O)Cn2ccc(O)nc2=O)CC1 1912195653 GPLSGQNSVXWKSG-UHFFFAOYSA-N 278.272 0.250 10 10 CCCE [N-]=[N+]=NC[C@H]1CCN(C(=O)CCSCC(N)=O)C1 1912148807 XXSRWNCCNFNJQP-MRVPVSSYSA-N 271.346 0.754 10 10 CCCE CN(CCC(N)=O)Cc1ccc(N2CCOCC2)cc1 16387331 XLINMYNZPFQCOE-UHFFFAOYSA-N 277.368 0.830 10 10 CCCE CN1NC(=O)[C@H](CC(=O)N(C)c2ccccc2)C1=O 169995968 QFIBTIYXQRRKBW-JTQLQIEISA-N 261.281 0.159 10 10 CCCE Nc1ccc(CS(=O)(=O)NC(=O)NC2CC2)cc1 158809718 OQRGBEJZQXNHPF-UHFFFAOYSA-N 269.326 0.560 10 10 CCCE C[C@H]1CN(C(=O)c2cc(O)nc(O)c2)CC[C@H]1O 166703020 DPKGMGOKMGTFEA-IONNQARKSA-N 252.270 0.336 10 10 CCCE Nc1ccc(O)c(CN2CC[C@H]3C[C@H]2[C@H](O)[C@H]3O)c1 2134817706 SZPUGPIFKRVZFU-LDZXTUBUSA-N 264.325 0.290 10 10 CCCE NCc1ccc(N2CC(O)(C(N)=O)C2)cc1C(F)(F)F 1915248112 AMFOPLXNXUHFOK-UHFFFAOYSA-N 289.257 0.201 10 10 CCCE CC(C)[C@@](C)(NC(=O)c1cc(O)nc(O)c1)C(=O)O 2139125562 PAXUENPLBBQQPW-GFCCVEGCSA-N 268.269 0.722 10 10 CCCE Cn1nccc1CNC(=O)[C@H]1CNc2ccccc2N1 229881120 ATPLETKWFKLWSJ-CYBMUJFWSA-N 271.324 0.943 10 10 CCCE COCC[C@@](C)(O)CNC(=O)Cc1ccc(N)cc1 230195566 JGIVJMGIMVFNIA-CQSZACIVSA-N 266.341 0.715 10 10 CCCE CO[C@]1(C(=O)NCc2cccc(C)c2O)CCNC1 2139744485 XXDWRRSZXBLRFX-CQSZACIVSA-N 264.325 0.695 10 10 CCCE O=C(CO[C@H]1CCNC1)NCCc1ccc(O)c(O)c1 1968739990 ZNLNCWSEBMYYKI-NSHDSACASA-N 280.324 0.135 10 10 CCCE C[C@](N)(CNC(=O)c1cc(O)nc(O)c1)C1CCC1 2137693565 APLUAWWFUXXRHB-ZDUSSCGKSA-N 265.313 0.740 10 10 CCCE CO[C@H]1CN(Cc2cc3c(cc2O)OCO3)C[C@@H]1OC 234927607 FAESLCIYYULKIG-KBPBESRZSA-N 281.308 0.967 10 10 CCCE NCc1ccc(N2C[C@@H](O)[C@H](O)C2)c2ccccc12 236232029 ZJKNOPGNFMPHST-HUUCEWRRSA-N 258.321 0.840 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC[C@@H]3[C@H](CO)[C@@H]3C2)cc1 2149545261 MJFKUXAWTZWYNF-MJBXVCDLSA-N 296.392 0.659 10 10 CCCE COc1cc([C@@H]2CN(C)C(=O)CN2)cc(O)c1O 1952153270 RYULVAKBDPRASJ-QMMMGPOBSA-N 252.270 0.209 10 10 CCCE CN(C)Cc1cc([C@@H]2CNC[C@@H]2C(=O)O)ccc1O 1952122719 XPXYJHPYQPWDRX-RYUDHWBXSA-N 264.325 0.841 10 10 CCCE O=C(O)c1ccc(=NCCc2ccc(O)c(O)c2)[nH]n1 2148009809 SVKRUNTYUMLIHZ-UHFFFAOYSA-N 275.264 0.663 10 10 CCCE CCNCc1ccc(N2CCN(CCO)CC2)cc1 36231666 ZEAZPQFNRWXZML-UHFFFAOYSA-N 263.385 0.910 10 10 CCCE NC(=O)[C@@H]1CC[C@@H](NC(=O)CCc2ccc(N)cc2)C1 2146218287 AOJJUFMEFGRDBD-DGCLKSJQSA-N 275.352 0.972 10 10 CCCE CC(C)([C@H](NCCN=[N+]=[N-])C(=O)O)S(C)(=O)=O 2001807512 AOTSXTRFDJVMFF-ZCFIWIBFSA-N 264.307 0.163 10 10 CCCE Nc1ccc(OCC(=O)NCCn2ccnc2)cc1 41118861 OLSOHTUTFHIUAY-UHFFFAOYSA-N 260.297 0.661 10 10 CCCE CCONS(=O)(=O)CCOc1ccc(N)cc1 2016995634 LZLNLEHFIILRPP-UHFFFAOYSA-N 260.315 0.519 10 10 CCCE OCc1ccc(N2CCC2(CO)CO)c(Cl)c1 2018511539 KYNKASNSTDANCT-UHFFFAOYSA-N 257.717 0.766 10 10 CCCE CS(=O)(=O)N[C@H]1CCN(Cc2cc(F)ccc2O)C1 180176146 ZXRMWUZBUZTETI-NSHDSACASA-N 288.344 0.655 10 10 CCCE CN(Cc1cnnn1C)c1ccc2c(c1)NC(=O)[C@@H]2O 2156482821 COPZFBABDXMASU-GFCCVEGCSA-N 273.296 0.437 10 10 CCCE COC[C@@H](N[C@H](C)c1cc(F)ccc1O)C(N)=O 2034939574 ILOVCFGVKQUFPS-GMSGAONNSA-N 256.277 0.682 10 10 CCCE Oc1c(F)cc(F)cc1CNC[C@@H]1COC[C@H]1O 2036575711 GCQPPDGMLGIMMY-LDYMZIIASA-N 259.252 0.767 10 10 CCCE CCN(c1ccc(N)cc1)S(=O)(=O)N1CCOCC1 63114478 LMVIRIFEHBBFCZ-UHFFFAOYSA-N 285.369 0.672 10 10 CCCE Nc1ccc(OC[C@H](O)CN(CCCO)C2CC2)cc1 404189902 DWLYZXAQFSKNRV-CQSZACIVSA-N 280.368 0.855 10 10 CCCE Nc1ccc(CCC(=O)NCCCCS(N)(=O)=O)cc1 312329191 IHSYAEZCPCYHIH-UHFFFAOYSA-N 299.396 0.386 10 10 CCCE Nc1ccc(NC(=O)CN2C(=O)C[C@]23CCOC3)cc1 2158584254 IEWLIXONSDSTFZ-AWEZNQCLSA-N 275.308 0.599 10 10 CCCE CN(Cc1ncon1)c1ccc2c(c1)N(C)C(=O)[C@H]2O 2160443672 AEUCFSARVNVUQB-LBPRGKRZSA-N 274.280 0.716 10 10 CCCE O=C1N[C@H]2CN(c3ccc([N+](=O)[O-])c(CO)c3)C[C@@H]2O1 2176929151 XYZLTCCGHSYIGY-ONGXEEELSA-N 279.252 0.384 10 10 CCCE NC(=O)C[C@H]1CCN(c2ccc3c(c2)NC(=O)[C@H]3O)C1 690712654 GFZAUDCKYSGFFU-OQPBUACISA-N 275.308 0.374 10 10 CCCE COc1cc(N)c(N(C)CCN(C)CCO)cc1OC 691267048 FHZMATFAVIVSPO-UHFFFAOYSA-N 283.372 0.646 10 10 CCCE Nc1ccc(CCCN2C[C@H](O)C[C@@H](C(=O)O)C2)cc1 2179659279 CVMJGUXIVKYIIC-TZMCWYRMSA-N 278.352 0.969 10 10 CCCE Cn1ncc(C(=O)NCCOc2ccc(N)cc2)n1 382066453 DLTXNYGLCMVKGE-UHFFFAOYSA-N 261.285 0.206 10 10 CCCE Nc1ccc(CC(=O)N[C@H](C(=O)O)[C@H]2CCCO2)cc1 2172522920 HKHHHMALVQVYKN-YPMHNXCESA-N 278.308 0.560 10 10 CCCE CN1CCC[C@@H]1CN(CC(N)=O)Cc1ccc(N)cc1 386607604 HKTNPMLLOWBXBY-CQSZACIVSA-N 276.384 0.650 10 10 CCCE C[C@H]1CN(CCC(=O)Nc2ccc(N)cc2)CC(=O)N1 387083106 ZEQIJRCGZRUZNQ-JTQLQIEISA-N 276.340 0.418 10 10 CCCE NC(=O)N1CC[C@@H](NCc2ccc(O)c(O)c2O)C1 393357548 PWBNUUCWAKWUDT-MRVPVSSYSA-N 267.285 0.046 10 10 CCCE CCNCc1ccc(N2CCC(O)(C(N)=O)CC2)cc1 394286782 KUFPEVJJBDJBRE-UHFFFAOYSA-N 277.368 0.613 10 10 CCCE CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](N)[C@H](C)O 2175202681 NWMSEEHDWVPTLY-SMDDNHRTSA-N 279.384 0.809 10 10 CCCE Nc1ccc(CC(=O)N[C@@H]2CCN(CC(=O)O)C2)cc1 2169279818 BSFSNGOYOVMSCR-GFCCVEGCSA-N 277.324 0.086 10 10 CCCE O=C(N[C@@H]1CCOC[C@H]1C(=O)O)c1cccc(O)c1O 2176120337 KFESWGIDMMSFAR-RKDXNWHRSA-N 281.264 0.317 10 10 CCCE NC(=O)CN(Cc1ccc(N)cc1)CC1[C@@H]2COC[C@@H]12 2188895688 DUTFJCVDWHUGOR-KBPBESRZSA-N 275.352 0.449 10 10 CCCE Nc1ccc(OCCN2C[C@@H]3C[C@H](C2)[C@@H](O)[C@@H]3O)cc1 2182560901 PFAMBKUUHFIXCS-BAESOJJISA-N 278.352 0.321 10 10 CCCE C[C@H]1CC[C@H](CN)N(C(=O)c2cc(O)nc(O)c2)C1 2093663114 PDMKUJFJCPUVJC-WCBMZHEXSA-N 265.313 0.692 10 10 CCCE CN(c1cc2c(cc1N)OCCO2)[C@@H]1CCC(=O)NC1 2183459066 WHEAORNDGKAXIP-SECBINFHSA-N 277.324 0.755 10 10 CCCE O=C(O)[C@H](F)C1CN(Cc2ccc(O)cc2O)C1 2047999517 JMGOXPQYPBFQOO-LLVKDONJSA-N 255.245 0.952 10 10 CCCE C[C@]1(CO)COCCN1Cc1cc(N)ccc1O 2049909876 BTWKIOODWKJEFD-ZDUSSCGKSA-N 252.314 0.558 10 10 CCCE Nc1cccc(C(=O)O)c1N[C@@H]1CCNCC[C@@H]1CO 2191698087 LYUTYLBOHVCONV-BXKDBHETSA-N 279.340 0.739 10 10 CCCE COc1ccc(O)c([C@@H](C)N2C[C@H](O)CC23CNC3)c1 2186615550 PDZLEJGTPHRIIE-GHMZBOCLSA-N 278.352 0.870 10 10 CCCE CN1C[C@H]2CC[C@H]1CN2CC(=O)Nc1ccc(N)cc1 2186668045 XOCXRJQGLUXJIE-UONOGXRCSA-N 274.368 0.986 10 10 CCCE COC(=O)c1cnc(Sc2nnc3nc[nH]n23)s1 2062459324 QOPMUPDWBPSAAG-UHFFFAOYSA-N 282.310 0.847 10 10 CCCE C[C@@H](c1ccccc1O)N1C[C@H](O)C[C@H]1C(=O)O 2080604006 ZWARBQBWMGDUQL-NGZCFLSTSA-N 251.282 0.973 10 10 CCCE COC[C@@](C)(CCO)NC(=O)c1cc(O)nc(O)c1 2101793243 PQLAWTSBJAELGK-GFCCVEGCSA-N 270.285 0.010 10 10 CCCE CC1(C)[C@H](C(=O)O)[C@H]1NC(=O)c1cccc(O)c1O 2104623503 BIOAJPCEZSIEQW-WCBMZHEXSA-N 265.265 0.937 10 10 CCCE COC[C@]12C[C@](C(=O)N(C)CCN=[N+]=[N-])(CO1)C2 2085225572 WMMCDDJYEHISDF-XYPYZODXSA-N 254.290 0.951 10 10 CCCE COC(=O)c1cccc(N)c1N[C@H](CO)CCCO 2108722609 NUERPPANKACCPR-VIFPVBQESA-N 268.313 0.601 10 10 CCCE NN[C@@H](c1ccccc1O)[C@@H]1CN2CCCN1CC2 2090036525 CYDMZNNQOIPVLX-JSGCOSHPSA-N 262.357 0.287 10 10 CCCE N[C@@H]1COC[C@H]1CCNC(=O)c1ccc(O)c(O)c1 2111328689 NSCYRBFKWYIUAV-NXEZZACHSA-N 266.297 0.191 10 10 CCCE NC(=S)C1(C(=O)NCCc2ccc(O)c(O)c2)CC1 2091754936 MSSIGYNXEJNUSV-UHFFFAOYSA-N 280.349 0.823 10 10 CCCE CN1CCN(C(=O)COc2ccc(N)cc2)[C@H]2C[C@@H]21 2112107091 KQFUNHJXCRSYIJ-STQMWFEESA-N 261.325 0.563 10 10 CCCE COc1ccc(N2CC[C@H]([C@H](N)C(=O)O)C2)cc1 107937710 NFZBOXYIVKCQAG-CABZTGNLSA-N 250.298 0.933 10 10 CCCE C[C@@H](NCc1ccc(O)c(O)c1O)c1ncnn1C 2097032737 CXNQBTSXWSIQDI-SSDOTTSWSA-N 264.285 0.783 10 10 CCCE Nc1ccc(OC[C@@H](O)CN2C[C@@H](O)C23CCC3)cc1 2201414214 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0.742 10 10 CCCE CNC(=O)[C@H]1COCCN1c1ccc([C@@H](C)O)cc1C 2240831383 UDPIDUPJVXYDPZ-BXUZGUMPSA-N 278.352 1.000 10 10 CCCE CN[C@@H](c1ccccc1O)[C@]1(O)COC2(COC2)C1 2270789226 VAIICXWIHDOPKG-GXTWGEPZSA-N 265.309 0.573 10 10 CCCE Cc1cccc(CNC(=O)[C@]23C[C@](N)(C2)[C@@H](C)O3)c1O 2280663921 REXVLMCMMWOMEM-VCTAVGKDSA-N 276.336 0.966 10 10 CCCE CNC[C@@]1(O)CCCN(C(=O)Nc2ccc(N)cc2)C1 2286327583 QWANXAMBKRGHTH-AWEZNQCLSA-N 278.356 0.847 10 10 CCCE COc1cc(OC)c(N2C[C@@H](O)C[C@@H](O)C2)c(OC)c1 2287066886 AFOBGUADTJVOCH-AOOOYVTPSA-N 283.324 0.644 10 10 CCCE Cc1cc(N2C[C@H]3CS(=O)(=O)[C@H]3C2)ccc1CO 2314879211 AYBCOVGKPCWWBZ-AAEUAGOBSA-N 267.350 0.721 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1C[C@@H]2CN[C@H]1C2 2329006737 ISJYWUVBIZNXMM-VWYCJHECSA-N 262.309 0.507 10 10 CCCE COc1ccc(N2C[C@@H]3C[C@H]2[C@@H](O)[C@@H]3O)cc1OC 2333692105 QPLVRQKZMDMREP-IQDGUBICSA-N 265.309 0.634 10 10 CCCE O=C(N1CCc2cc(O)c(O)cc2C1)C1(F)CNC1 2341196760 IGJNVHBITHHFFW-UHFFFAOYSA-N 266.272 0.294 10 10 CCCE CCN1C(=O)/C(=C\NC2CCCC2)C(=O)NC1=S 104909565 MTBUBFUGQFJRCG-CLFYSBASSA-N 267.354 0.666 10 10 CCCE CC(=O)N1CCCN(C(=O)COc2ccc(N)cc2)CC1 42613892 YWEBKGQGAXERJR-UHFFFAOYSA-N 291.351 0.728 10 10 CCCE O=C(CN1C(=O)CSC1=S)NCc1ccncc1 82308915 CFSKVOFGEBBEBY-UHFFFAOYSA-N 281.362 0.558 10 10 CCCE CCNC(=O)[C@@H]1CNCCN1[C@@H](C)c1cc(O)ccc1O 89088663 QAUFERDGFBNXTL-GWCFXTLKSA-N 293.367 0.569 10 10 CCCE CN1CCc2cc(N3CC[C@H](O)[C@H](C(=O)O)C3)ccc21 606605032 MDNWAJVAYJSCNT-OCCSQVGLSA-N 276.336 0.951 10 10 CCCE [N-]=[N+]=N[C@H]1CO[C@H](OCc2ccccc2)[C@H](N)[C@@H]1O 687770674 IHPXTIKWQXMPPH-QCNOEVLYSA-N 264.285 0.927 10 10 CCCE C[C@@H](CC(=O)N1Cc2cccc(O)c2C1)NC(N)=O 871204148 DIEKCLBVDZLVCS-QMMMGPOBSA-N 263.297 0.681 10 10 CCCE O=C(C(=O)N1CCC[C@H](O)C1)N1Cc2cccc(O)c2C1 1118940869 WJXVXGDBHXRKMK-NSHDSACASA-N 290.319 0.218 10 10 CCCE COc1ccc(CC(=O)OCC(=O)C(C)=O)cc1O 870056407 HUTGPKYTDADAFY-UHFFFAOYSA-N 266.249 0.645 10 10 CCCE C[C@]1(CNC(=O)COc2ccc(N)cc2)CCCN1 1876426507 NEUJGNKJGNBSNL-CQSZACIVSA-N 263.341 0.906 10 10 CCCE NC[C@H]1CC[S@@](=O)(=NC(=O)Cc2ccc(N)cc2)C1 1876441773 HXBNKNCKQIAIGQ-WYRIXSBYSA-N 281.381 0.785 10 10 CCCE C[C@H](N)c1cc(F)c(N2C[C@H](O)C[C@H]2CO)c(F)c1 1880924589 SQIFSXPYZZCUHZ-UJNFCWOMSA-N 272.295 0.916 10 10 CCCE CN(C)c1ccc(CNC(=O)[C@H](O)CCN)cc1 83385166 OAAQGHUSADSRIM-GFCCVEGCSA-N 251.330 0.079 10 10 CCCE N[C@@H](c1nnc(CC(=O)O)o1)c1ccc(O)cc1O 83480499 GEXHEOBYOJZMOR-SNVBAGLBSA-N 265.225 0.156 10 10 CCCE CN(C)c1ccc([C@@H](NS(C)(=O)=O)C(=O)O)cc1 41406510 CEJRLTRSWCOWNC-SNVBAGLBSA-N 272.326 0.428 10 10 CCCE Nc1ccc(NS(=O)(=O)c2cccnn2)cc1 712765044 CYZNXAJNDSGSEG-UHFFFAOYSA-N 250.283 0.860 10 10 CCCE CO[C@@]1(C)C[C@H]1NS(=O)(=O)Cc1ccc(N)cc1 694394111 SAEHUJFPAOURPM-NEPJUHHUSA-N 270.354 0.866 10 10 CCCE Cn1nnnc1Cn1ccc2ccc(CCN)cc21 698272314 FAQZTEASRFPDCY-UHFFFAOYSA-N 256.313 0.714 10 10 CCCE CNC(=O)[C@H]1CNCCN1[C@H](C)c1cc(C)ccc1O 89082136 JESAWSKCTCCZLO-DGCLKSJQSA-N 277.368 0.781 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3C[C@H]4C[C@H](O)[C@H]3C4)ccc21 2120639113 JLADARDJPWPRJO-HPXOCHMKSA-N 259.309 0.598 10 10 CCCE COCC1(CNC(=O)c2cccc(O)c2O)CNC1 2121531485 JQTSRZKHFIUJFY-UHFFFAOYSA-N 266.297 0.064 10 10 CCCE CNCc1ccc(N2CCC[C@H]2[C@H](O)CO)c(F)c1 2123219086 BETNHYIROGBTSV-UONOGXRCSA-N 268.332 0.867 10 10 CCCE CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H](N=[N+]=[N-])C1 1912190979 LTMWHUKKHZBXMY-NXEZZACHSA-N 251.290 0.909 10 10 CCCE CNCc1cc(F)c(N2CCOC[C@@H]2CO)c(F)c1 168325581 GUBYYQHBLKFPIK-JTQLQIEISA-N 272.295 0.882 10 10 CCCE CN1C[C@@H](N(C)C(=O)c2cccc(O)c2O)CC1=O 2131949205 DSYFYSWKQUXYRJ-QMMMGPOBSA-N 264.281 0.401 10 10 CCCE CN(C)c1ccc(CNCC(=O)N2CCC(O)CC2)cc1 1857865571 SYNZNQAMAUYTCJ-UHFFFAOYSA-N 291.395 0.826 10 10 CCCE OCc1ccc(N2CC[C@H]3C[C@H]2[C@@H](O)[C@H]3O)c(F)c1 2134821463 TZQOZDUSDRAKKP-NZPIUUIZSA-N 267.300 0.638 10 10 CCCE O=C(NC[C@H]1[C@H]2CNCC[C@H]21)c1cccc(O)c1O 2138559512 FXNGHPFCEJDHCY-DVVUODLYSA-N 262.309 0.683 10 10 CCCE CCN(CC(=O)N(C)c1ccc(N)cc1)C1COC1 1915711763 AAXLITLYGZPDQW-UHFFFAOYSA-N 263.341 0.952 10 10 CCCE CC1(NCc2ccc(O)c(O)c2O)CS(=O)(=O)C1 1918407630 AFBTUXBYLQGYNQ-UHFFFAOYSA-N 273.310 0.080 10 10 CCCE C[C@@]1(C(=O)NCc2ccccc2O)COC[C@H]1N 228421864 SBQKTUNCFLWBRN-DGCLKSJQSA-N 250.298 0.372 10 10 CCCE NCc1ccc(N2CC[C@@H]2C(N)=O)cc1Br 1936591430 RKMNFOJPPRYARY-SNVBAGLBSA-N 284.157 0.972 10 10 CCCE CNC1(C)CCN(C(=O)c2cc(O)nc(O)c2)CC1 129831574 LRVAGKMTHOIOOS-UHFFFAOYSA-N 265.313 0.707 10 10 CCCE COC(=O)C[C@@](C)(N)c1cc(O)c(O)c(OC)c1 1952152394 MWBYGYKAEABUTN-GFCCVEGCSA-N 255.270 0.843 10 10 CCCE Nc1ccc(CCNS(=O)(=O)N2C[C@H]3CC[C@@H]3C2)cc1 2149317575 WJKMZNUONLRMGX-CHWSQXEVSA-N 295.408 0.988 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N(CCO)C3CC3)cc21 155750001 LUEUAVWZXDTYKZ-ZDUSSCGKSA-N 261.325 0.624 10 10 CCCE COc1ccc(O)c(CN2CCNCC2)c1OC 258555400 GRFJOBXVJITDHB-UHFFFAOYSA-N 252.314 0.815 10 10 CCCE C[C@H](c1ccccc1O)N(C)S(=O)(=O)c1cn(C)nn1 2144426329 LKAARKBMWGHVFG-SECBINFHSA-N 296.352 0.902 10 10 CCCE NC(=O)Cn1cc(NCc2cccc(F)c2O)cn1 158703524 QLZNSUYQAZEODN-UHFFFAOYSA-N 264.260 0.825 10 10 CCCE CN[C@H](c1ccccc1O)[C@](C)(O)[C@@H]1CCS(=O)(=O)C1 2148164232 OWHIXUCOXMSEQX-LERXQTSPSA-N 299.392 0.838 10 10 CCCE NCc1cc(F)c(N2CC(C(N)=O)C2)cc1Cl 2008206302 MLAXHPZVKXQWDJ-UHFFFAOYSA-N 257.696 0.859 10 10 CCCE NN[C@H](C[C@@H]1CCS(=O)(=O)C1)c1ccccc1O 2029556248 QIQQUFWVAOHUMK-GXSJLCMTSA-N 270.354 0.721 10 10 CCCE CN1CCN(C)[C@H]([C@H](NN)c2ccccc2O)C1 2029542929 GAYGPBSVOOIPRD-WCQYABFASA-N 250.346 0.142 10 10 CCCE CNCc1ccc(N2CC[C@H](N3CC(O)C3)C2)c(C)c1 2158744914 WVSINYXIWZENNB-AWEZNQCLSA-N 275.396 0.970 10 10 CCCE CN(CC(F)(F)CO)C(=O)c1ccc(O)c(O)c1 2033570056 YZJPGMUQNHGXJF-UHFFFAOYSA-N 261.224 0.797 10 10 CCCE CC[C@@](C)(CN)N(C)C(=O)c1cc(O)nc(O)c1 2037645144 JLIFWRMNPUCZLH-LBPRGKRZSA-N 253.302 0.692 10 10 CCCE CS(=O)(=O)N1CC[C@@H](NCc2cccc(F)c2O)C1 400131996 RFCPWWWXABOHBH-SNVBAGLBSA-N 288.344 0.655 10 10 CCCE CCSC[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)O 2157780104 MUUFKGSLIUNIJO-SECBINFHSA-N 299.348 0.963 10 10 CCCE CO[C@@H]1C[C@H](CO)N(c2ccc([C@@H](C)N)c(O)c2)C1 311629964 IYMSQXDCUQRSCL-YUSALJHKSA-N 266.341 0.998 10 10 CCCE NC[C@H]1CN(Cc2ccc(O)cc2O)CCCO1 313387680 SKMWSOVXIPZPJK-LBPRGKRZSA-N 252.314 0.647 10 10 CCCE Cc1cccc(O)c1CN1CC(n2cc(CN)nn2)C1 2160786065 KWQIHFKKZNXGDN-UHFFFAOYSA-N 273.340 0.808 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3C[C@H]4C[C@H](O)C[C@H]3C4)ccc21 709835780 LJVKODMZLPFYQE-GCDPNZCJSA-N 273.336 0.988 10 10 CCCE Cn1ncc(CN2CCN(c3ccc(N)cc3)C2=O)n1 380547406 OONDARMQSGFELX-UHFFFAOYSA-N 272.312 0.840 10 10 CCCE O=C1CC[C@H](NC(=O)c2cccc(O)c2O)CCN1 396680317 WEDJUUKSOOIAIZ-QMMMGPOBSA-N 264.281 0.496 10 10 CCCE Cc1cc(O)n2ncc(C(=O)NC[C@H]3CC[C@H](O)C3)c2n1 2063042200 RGFQCXICVGEARB-UWVGGRQHSA-N 290.323 0.634 10 10 CCCE COc1cc(N)c(N(C)C[C@H]2COCCN2)cc1OC 2191894310 PDLSKAUVONQDCG-JTQLQIEISA-N 281.356 0.711 10 10 CCCE C[C@H]1[C@@H](O)CN1C(=O)c1ccn(-c2ccc(N)cc2)n1 2182524822 WVVJXHVAQYZDJJ-ZANVPECISA-N 272.308 0.660 10 10 CCCE N[C@@H](CNC(=O)c1cc(O)c(O)c(O)c1)c1ccco1 2188909754 NVLFUXMYFKQJQV-QMMMGPOBSA-N 278.264 0.826 10 10 CCCE C[C@@](O)(CCS(C)(=O)=O)[C@@H](N)c1ccccc1O 2042648571 ZPLVACUKVKSJNC-NWDGAFQWSA-N 273.354 0.578 10 10 CCCE O=C(c1cccc(O)c1O)N1[C@H]2CC[C@H]1[C@H](O)[C@@H](O)C2 2190193289 URBWAEQFWKNZCW-VXPJTOPCSA-N 279.292 0.197 10 10 CCCE NC[C@H](F)C1CN(C(=O)c2ccc(O)c(O)c2)C1 2048041428 HRWSEQOSDHFJBU-VIFPVBQESA-N 254.261 0.467 10 10 CCCE CCN[C@@H]1CCc2cc(N3CC(O)(C(N)=O)C3)ccc21 2184725272 IGBDTXVGSFZELB-CYBMUJFWSA-N 275.352 0.320 10 10 CCCE CN(C(=O)c1cc(O)c(O)c(O)c1)[C@H]1COCC1(F)F 2197029143 JPTBWPCGUKOPCB-VIFPVBQESA-N 289.234 0.910 10 10 CCCE CNCc1ccc(N2CC[C@@H](O)[C@H](O)C2)c(F)c1 2068369852 MGUFXDPCQGDOCK-CHWSQXEVSA-N 254.305 0.477 10 10 CCCE C[C@@H]1C[C@@H](CN)CN1c1cc2c(cc1N)OCC(=O)N2 2191585563 IWNYEQNJXPCKBN-BDAKNGLRSA-N 276.340 0.773 10 10 CCCE CC1(C)CN[C@@H](CNC(=O)Cc2ccc(N)cc2)CO1 2194714610 OKYSPBZQOCTCHC-ZDUSSCGKSA-N 277.368 0.695 10 10 CCCE COc1ccc(N2CCN(C)C[C@@H]2CN)c(N)c1 2071597712 PQTMSFQBVGDEPC-JTQLQIEISA-N 250.346 0.357 10 10 CCCE CN(c1ccc(N)cc1)S(=O)(=O)c1c[nH][nH]c1=N 2071728927 HPROITAYTQETKP-UHFFFAOYSA-N 267.314 0.230 10 10 CCCE Nc1cc2c(cc1N1CCN[C@@H]3COC[C@H]31)OCCO2 2191795365 LMIOESFVGIHZCZ-ZYHUDNBSSA-N 277.324 0.217 10 10 CCCE CO[C@H]1C[C@H](C(=O)O)N(Cc2ccc(N)cc2)C1 2076943887 VTPWNSJCCSYCQE-NWDGAFQWSA-N 250.298 0.943 10 10 CCCE CN(C)c1ccc([C@@H](NN)[C@@H]2CCCS2(=O)=O)cc1 2100537370 OMHDLFNYLBGZEO-QWHCGFSZSA-N 283.397 0.834 10 10 CCCE N[C@H]1CCC[C@H]1CNC(=O)Cc1ccc(O)c(O)c1 2087727977 XFOUTZBOKXAWHN-QWRGUYRKSA-N 264.325 0.884 10 10 CCCE Nc1ccc(NC(=O)CN2C[C@@H](O)C3(CC3)C2)cc1 2093341848 SJWFZVYNNYXWOQ-GFCCVEGCSA-N 261.325 0.664 10 10 CCCE COc1cc(N)c(N(C)[C@@H](C)CC(N)=O)cc1OC 2094988137 ZTBYPNDVGZKDAE-QMMMGPOBSA-N 267.329 0.986 10 10 CCCE O=C(O)CN1CC(CNCc2ccc(O)c(O)c2)C1 2113025417 DGIZBZKMIYGBKB-UHFFFAOYSA-N 266.297 0.204 10 10 CCCE COc1cc(N2CC[C@@](O)(CN(C)C)C2)ccc1CO 2204543307 LRESRZIXODCOTD-OAHLLOKOSA-N 280.368 0.690 10 10 CCCE CCNCc1ccc(N2CC[C@H](O)[C@@H](O)C2)cc1OC 2204555019 QQRJUMQKYSCOQH-KBPBESRZSA-N 280.368 0.737 10 10 CCCE CS(=O)(=O)[C@H]1CCC[C@@H]1NC(=O)c1ccc(O)c(O)c1 2205997299 HWPQVMWQPHDABS-CABZTGNLSA-N 299.348 0.793 10 10 CCCE Oc1cccc(F)c1CN[C@@H]1CCC[C@H](O)[C@H]1O 2217644197 YMRXVMJDCCOAQY-WXHSDQCUSA-N 255.289 0.895 10 10 CCCE CN1[C@H](C(=O)O)CC[C@H]1C(=O)NCCCN=[N+]=[N-] 2218739397 UPTULAMFUSNPMM-YUMQZZPRSA-N 255.278 0.350 10 10 CCCE Cc1cc([C@@H](C)N)ccc1N(C)[C@@H]1CC(=O)NC1=O 2232027367 LPKNVACRFZLNHU-BXKDBHETSA-N 261.325 0.866 10 10 CCCE O=C(c1cccc(O)c1O)N1C[C@@H]2COC[C@@]2(CO)C1 2234583255 JHZAGSYMDYLNSU-OTYXRUKQSA-N 279.292 0.179 10 10 CCCE [N-]=[N+]=NC1CN(C(=O)[C@H]2[C@H](C(=O)O)[C@H]3CC[C@H]2O3)C1 2225793878 ANRQZCJGNMUETQ-FNCVBFRFSA-N 266.257 0.386 10 10 CCCE OCc1ccc(N2C[C@@H]3[C@H]4C[C@@H]([C@@H](O)[C@H]4O)[C@@H]3C2)cc1 2237059435 QKIJKDXJBOYBGE-FGZZBPHYSA-N 275.348 0.603 10 10 CCCE COc1ccc(N2C[C@@H](CO)[C@H](CO)C2)c(CN)c1 2227682867 SCGYTAWWSZPNEX-RYUDHWBXSA-N 266.341 0.191 10 10 CCCE COc1ccc(N2CCOC[C@@H](CO)C2)c(C=O)c1 2227704701 CTXDFOSGLTYDNO-LLVKDONJSA-N 265.309 0.953 10 10 CCCE COc1ccc(N2CC(n3cncn3)C2)c(CO)c1 2227709639 WHHRXBOMPNEZAV-UHFFFAOYSA-N 260.297 0.840 10 10 CCCE CO[C@@H]1[C@H](O)C[C@H]1NC(=O)Nc1ccc(N)cc1 2258707245 CJENIOJZLGXRIW-MXWKQRLJSA-N 251.286 0.539 10 10 CCCE COc1ncc(F)c(=NCc2cc(N)ccc2O)[nH]1 2266671389 AQKMNGCBALXFLA-UHFFFAOYSA-N 264.260 0.946 10 10 CCCE CSc1ncc(CNC(=O)c2c(CN)nnn2C)s1 2269092018 CPJCCEKGXHIXLO-UHFFFAOYSA-N 298.397 0.382 10 10 CCCE Nc1ccc(OCC(=O)N[C@@H]2CCNCC2(F)F)cc1 2279113840 ZUJJITNWVFZNOY-LLVKDONJSA-N 285.294 0.761 10 10 CCCE Cc1cc(N2C[C@@H]3OC[C@H](CO)O[C@H]3C2)ccc1CO 2279780703 CMIYYQAEJYUZPC-KKUMJFAQSA-N 279.336 0.452 10 10 CCCE C[C@H](NN(C)S(C)(=O)=O)c1c(O)cccc1O 2301552160 ZENMDRQPLHYHQD-ZETCQYMHSA-N 260.315 0.555 10 10 CCCE NCCSCCNC(=O)c1cc(O)c(O)c(O)c1 2314083672 GYOGKNVRDUTWJC-UHFFFAOYSA-N 272.326 0.225 10 10 CCCE Cc1ccc(O)c(CN(CCO)CCC(=O)O)c1 2319864774 SANNVCMAICXUSO-UHFFFAOYSA-N 253.298 0.970 10 10 CCCE C[C@H](NCC[C@H](O)CCO)c1c(O)cccc1O 2326774520 HTWBMOSAWAIGPF-UWVGGRQHSA-N 255.314 0.882 10 10 CCCE OCc1cc(F)c(N2C[C@@H]3C[C@H]2[C@@H](O)[C@@H]3O)c(F)c1 2329324571 UATFJHBKQGOGIY-AXVUBJCFSA-N 271.263 0.387 10 10 CCCE CN1CCc2cc([C@@H](O)[C@]34CNC[C@H]3COC4)ccc21 2354609112 VCHHTIIRRRSTHR-IMJJTQAJSA-N 274.364 0.948 10 10 CCCE COc1cccc(CN2CCC[C@H]2C(N)=O)c1O 179582208 WYJSWFAQRVZRPS-JTQLQIEISA-N 250.298 0.851 10 10 CCCE Nc1ccc(CNS(=O)(=O)C2CCOCC2)cc1 50199174 NYKNJSNVVUTIHG-UHFFFAOYSA-N 270.354 0.867 10 10 CCCE COC(=O)CCNCc1cc2c(cc1O)OCO2 42879674 IRGNQNMTIWHBQP-UHFFFAOYSA-N 253.254 0.774 10 10 CCCE O=C(N[C@@]1(C(=O)O)CCSC1)c1cccc(O)c1O 126012550 LBJLQKLWSWUITE-LBPRGKRZSA-N 283.305 0.788 10 10 CCCE O=C1CCN(C(=O)c2ccc(O)c(O)c2)CCN1 227026071 FANJCDWIVBZJIB-UHFFFAOYSA-N 250.254 0.060 10 10 CCCE CC(C)[C@@H](CC(=O)O)NC(=O)c1cc(O)nc(O)c1 136189073 IDTKMLDNEIWOOD-MRVPVSSYSA-N 268.269 0.722 10 10 CCCE COCC(COC)N(C)c1ccc2c(c1)NC(=O)[C@H]2O 700622642 DLZODUPHAFDVDP-ZDUSSCGKSA-N 280.324 0.770 10 10 CCCE N#Cc1cc(/C=C\C(=O)O)ccc1N1CC(C(N)=O)C1 381961533 GAOUFQKNTXHGSZ-RQOWECAXSA-N 271.276 0.578 10 10 CCCE COC(=O)C1CN(S(=O)(=O)N(C)c2ccc(N)cc2)C1 2164308727 KEJVZYHINVJGKH-UHFFFAOYSA-N 299.352 0.055 10 10 CCCE CCCNC(=O)C1CN(C(=O)Cc2ccc(N)cc2)C1 2168051386 MBSCSECBDCWRED-UHFFFAOYSA-N 275.352 0.796 10 10 CCCE CC(=O)C(=O)COC(=O)[C@]1(c2ccccc2)CNC(=O)C1 811232963 NKYVPPXNIYESNL-HNNXBMFYSA-N 289.287 0.146 10 10 CCCE COc1cccc(CNC(=O)C[C@H](C)NC(N)=O)c1O 847589062 DPHJGZLKUJCVRQ-QMMMGPOBSA-N 281.312 0.464 10 10 CCCE O=C1N[C@@H](C(=O)NCCc2ccc(O)c(O)c2)CS1 271266278 WEUZBPJNFXKQKR-MRVPVSSYSA-N 282.321 0.582 10 10 CCCE CO[C@@H]1CS(=O)(=O)C[C@H]1OC(=O)Cc1ccc(N)cc1 696842227 SPJGVIJZTRAFSO-VXGBXAGGSA-N 299.348 0.167 10 10 CCCE CC(=O)N1CCO[C@H](C(=O)N(C)Cc2ccccc2O)C1 934704601 AOXKPVNBSCJRMM-AWEZNQCLSA-N 292.335 0.598 10 10 CCCE CO[C@H]1CN[C@H](CNC(=O)Nc2ccc(N)cc2)C1 1876152734 JZGXAXQZDSJIDZ-NWDGAFQWSA-N 264.329 0.767 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@H]2CCC[C@@H](N)C2)cc1 1876407859 BFSCXQPLSTWNEK-CHWSQXEVSA-N 283.397 0.958 10 10 CCCE Nc1ccc(CC(=O)N[C@H]2C[C@H]3CNC[C@H]2C3)cc1 1876525764 QMEPPJJBWREVBN-SCRDCRAPSA-N 259.353 0.926 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@@H](N)C3(CC3)C2)cc1 1876538912 UCNCQBCZZPRNOJ-GFCCVEGCSA-N 281.381 0.522 10 10 CCCE Cn1nc(C(=O)NCc2ccc(O)c(O)c2)cc1O 1137443223 HLPBBZAPPORYRH-UHFFFAOYSA-N 263.253 0.467 10 10 CCCE CC(=O)C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@@H]21 1881983658 FXUYUHDKKNRANM-RBZYPMLTSA-N 283.324 0.905 10 10 CCCE CCOC[C@@H](C(=O)OC)N(C)C(=O)c1cccc(O)c1O 1150939229 OCESXWYLUSFUTM-JTQLQIEISA-N 297.307 0.748 10 10 CCCE Cn1cncc1[C@@H](CO)NC(=O)c1c(F)ccc(O)c1O 1161646174 MGPVOKXIMAHCSF-MRVPVSSYSA-N 295.270 0.434 10 10 CCCE N[C@@H](c1nnc([C@@H]2CCC(=O)N2)o1)c1ccccc1O 83540325 MTYJFXSHPHIDHP-GZMMTYOYSA-N 274.280 0.774 10 10 CCCE COC(=O)[C@H](C)N1CCN(c2ccc(N)cc2)CC1 59211953 GXFZDBPMDZBMAN-NSHDSACASA-N 263.341 0.952 10 10 CCCE C[C@@H]1CCN1C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 706919044 ZDLSWJXUSUSJKT-SCZZXKLOSA-N 250.298 0.588 10 10 CCCE CCNS(=O)(=O)CCNCc1ccc(N(C)C)cc1 68981101 FPFJZVIHPRNRII-UHFFFAOYSA-N 285.413 0.782 10 10 CCCE CCN(C)C(=O)N(CC(N)=O)Cc1ccc(N)cc1 91972244 NRWRQMOBCYFMLA-UHFFFAOYSA-N 264.329 0.628 10 10 CCCE CN(Cc1cc(F)ccc1O)C[C@H]1COCCN1 1964652282 GRYDMFKEJZDCCR-LBPRGKRZSA-N 254.305 0.952 10 10 CCCE CCNCc1ccc(N2CC(=O)NC(=O)C2)c(C)c1 97269777 UEADUGNDOBSPJI-UHFFFAOYSA-N 261.325 0.567 10 10 CCCE C=COC[C@@H](C=S)NC(=O)C(C)(C)CO[N+](=O)[O-] 217352667 MSTAUEQNWUDDEG-QMMMGPOBSA-N 276.314 0.866 10 10 CCCE COC(=O)[C@@H]1CN(C(C)=O)C[C@H]1c1ccc(O)c(O)c1 1614807669 PSFVVWDJPRRKGT-WDEREUQCSA-N 279.292 0.833 10 10 CCCE Cn1cc([C@H](O)C(=O)NCc2ccc(O)cc2O)cn1 1638357838 VNTJKRYWIRPJMC-LBPRGKRZSA-N 277.280 0.181 10 10 CCCE CC1(C)OC[C@H](NC(=O)c2cccc(O)c2O)[C@@H]1O 1910827892 BWVPTUWGBQPUBO-KWQFWETISA-N 267.281 0.366 10 10 CCCE C[C@H](O)[C@@H](N)CNC(=O)C=Cc1ccc(N(C)C)cc1 1911979566 ZLHOASXBBUYMFL-FZMZJTMJSA-N 277.368 0.590 10 10 CCCE CC(C)O[C@@H]1CS(=O)(=O)C[C@H]1N1CC[C@@H](N=[N+]=[N-])C1 1912187755 JIWMYHHRMONAJW-GMTAPVOTSA-N 288.373 0.962 10 10 CCCE COC(=O)[C@H](NCCN=[N+]=[N-])c1cnc(C)n1C 1912166597 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Nc1ccc(OCCC(=O)N2C[C@@H](O)C(F)(F)C2)cc1 2152098958 UMGKCNJZFDJLFL-LLVKDONJSA-N 286.278 0.876 10 10 CCCE COC(=O)[C@]1(NCCN=[N+]=[N-])CCCO[C@]12CCOC2 2155117944 XHEUJPALAKFJRX-NWDGAFQWSA-N 284.316 0.768 10 10 CCCE CCc1cccc(CN[C@@H](C)CS(N)(=O)=O)c1O 2035454126 OBALQXVTESHHDC-VIFPVBQESA-N 272.370 0.721 10 10 CCCE COc1ccc(CN[C@H](C)CS(N)(=O)=O)c(O)c1 2035455216 VGQIKEGSNFDUAB-MRVPVSSYSA-N 274.342 0.167 10 10 CCCE CN(C)c1ccc(CNS(=O)(=O)C2CC(CO)C2)cc1 2157796492 XZUJDXYKNPSEOS-UHFFFAOYSA-N 298.408 0.943 10 10 CCCE CN(C)c1ccc([C@@]2(C)C(=O)NC(=O)CN2C)cc1 311621022 XEYMWJMBCFRPQM-AWEZNQCLSA-N 261.325 0.556 10 10 CCCE COc1ccc(N2CCC[C@]3(CNC(=O)N3)C2)c(N)c1 2177698885 PAVJFKJVAWBTGE-AWEZNQCLSA-N 276.340 0.929 10 10 CCCE NC(=O)N1CC[C@@H](NCc2cc3c(cc2O)OCO3)C1 393264587 FQDZMBKTWFDAAD-SECBINFHSA-N 279.296 0.364 10 10 CCCE CN1CCN(C(=O)COc2ccc(N)cc2)[C@@H]2CC[C@@H]21 2168386590 RHHORTNJCWMXDE-UONOGXRCSA-N 275.352 0.953 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CCC[C@]1(CO)C(=O)O 2168648824 AYMIUQHWTBYKOQ-ZDUSSCGKSA-N 281.264 0.150 10 10 CCCE COC1(CF)CN(c2ccc3c(c2)N(C)C(=O)[C@@H]3O)C1 2168730239 BKMSQSMZNZNOLM-GFCCVEGCSA-N 280.299 0.871 10 10 CCCE Nc1ccc(OC[C@@H](O)CN2C[C@H]3C[C@@H](O)[C@H]2C3)cc1 2177185452 WVJYGJNSLKCICH-DZGBDDFRSA-N 278.352 0.464 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CC[C@H](O)CC12CC2 2188867940 JNCOHCKCVWQOMC-VIFPVBQESA-N 279.292 0.933 10 10 CCCE O=C(NC1CN(CC2CC2)C1)c1cc(O)c(O)c(O)c1 2188921539 CEILNFYCWJIQSY-UHFFFAOYSA-N 278.308 0.627 10 10 CCCE C[C@@]1(C(N)=S)CCN(C(=O)c2cc(O)c(O)c(O)c2)C1 2188915737 KPYAVUWQVUECHE-CYBMUJFWSA-N 296.348 0.942 10 10 CCCE CO[C@H]1CCOC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2188913142 PLJFVYWZMHHGAT-KWQFWETISA-N 283.280 0.337 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3CC[C@H](CO)C34CC4)ccc21 2190358546 MPDOODJAMSYFIR-NOZJJQNGSA-N 273.336 0.990 10 10 CCCE N[C@H]1CCc2cc(N3CCN4C(=O)NC[C@H]4C3)ccc21 2184744031 QSWQTZQEICMKNH-JSGCOSHPSA-N 272.352 0.846 10 10 CCCE Nc1ccc(OCCN2CC[C@H]3C[C@H]2[C@H](O)[C@H]3O)cc1 2199531282 JFHHPGQCFNMJMG-HJPIBITLSA-N 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Cc1cc(O)ccc1NS(=O)(=O)c1cnnn1C 2027818628 NDGCGWRFFCBOMY-UHFFFAOYSA-N 268.298 0.630 10 10 CCCE O=C(N[C@H]1CC[C@@H](CO)C1)c1ccc(O)c(O)c1 2029539396 ZQGAEQNLUWIBGO-SCZZXKLOSA-N 251.282 0.989 10 10 CCCE OCCC[C@@H](CO)NCc1ccc(F)c(F)c1O 2029924818 VIGZOAXYDSOYGG-VIFPVBQESA-N 261.268 0.893 10 10 CCCE COc1ccc(N2CCN(C[C@@H](N)C(=O)O)CC2)cc1 59226890 JQNSICJRVBOOLV-CYBMUJFWSA-N 279.340 0.229 10 10 CCCE NCc1ccc(N2C[C@H](O)[C@@H]3COC[C@H]32)c(F)c1 2040601156 UFXRSWNJUUARRW-WQAKAFBOSA-N 252.289 0.480 10 10 CCCE CC(C)[C@H](NC(N)=O)C(=O)N1CCC[C@H]1CN=[N+]=[N-] 701264801 YAVYBOCYXQQPTO-IUCAKERBSA-N 268.321 0.981 10 10 CCCE NC[C@]1(CO)COCCN1Cc1cc(Cl)ccc1O 703259107 LQNOJZOZIJLYIJ-ZDUSSCGKSA-N 286.759 0.568 10 10 CCCE CO[C@H](C(=O)NCc1cc(N)ccc1O)[C@@H]1CCCO1 2177482748 HXPGDFYZIDJOBX-STQMWFEESA-N 280.324 0.785 10 10 CCCE CC[C@](C)(NC(=O)COc1ccc(N)cc1)C(N)=O 382137512 ZOOJFFUQSKMNFI-ZDUSSCGKSA-N 265.313 0.418 10 10 CCCE C[C@H](C(=O)Nc1ccc(N)cc1)N1CC(N(C)C)C1 382553896 KEIFSECJPBEFMQ-SNVBAGLBSA-N 262.357 0.842 10 10 CCCE CN(C[C@@H](O)COc1ccc(N)cc1)c1ccnn1C 2172967037 FOMOEJZICCYHEO-GFCCVEGCSA-N 276.340 0.878 10 10 CCCE Nc1ccc(OCC(=O)NCCc2cnccn2)cc1 390014359 PKLLIEKXRORVAA-UHFFFAOYSA-N 272.308 0.797 10 10 CCCE NC(=O)N1CC[C@H](NCc2ccc(O)cc2O)C1 393270561 CIIPLGUQXJFAIY-VIFPVBQESA-N 251.286 0.340 10 10 CCCE CC1(C)SC[C@H]1NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 393777544 OEGYPUBTNBLIJE-JOYOIKCWSA-N 296.392 0.978 10 10 CCCE C[C@H]1CN(C(=O)c2ccc(O)c(O)c2)CC(=O)N1 395695698 BEZJCFDSSMSYQL-ZETCQYMHSA-N 250.254 0.058 10 10 CCCE Nc1ccc(NC(=O)CN2CCC3(C2)OCCO3)cc1 396484613 ZQLRYEGEPXLYNQ-UHFFFAOYSA-N 277.324 0.656 10 10 CCCE O=C(N[C@@H]1CC[C@H]2C[C@@]21C(=O)O)c1cc(O)nc(O)c1 2177749703 NZVAJIYINFBLON-HHURGBBESA-N 278.264 0.476 10 10 CCCE CN1CCN(C(=O)CCOCc2ccc(N)cc2)CC1 2173778916 MPSSJJMTADVJOG-UHFFFAOYSA-N 277.368 0.950 10 10 CCCE COc1ccc(CN[C@@H]2CCn3nnnc3C2)c(O)c1 2175911975 LLYKCMIEXYBKLO-SNVBAGLBSA-N 275.312 0.492 10 10 CCCE O=[N+]([O-])c1cc(N2C[C@H](O)[C@@H]3COC[C@@H]32)ccc1CO 2188575955 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Cn1cc(C(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])n(C)c1=O 2225799327 MQCCMHDPHWQEIJ-HTQZYQBOSA-N 264.289 0.685 10 10 CCCE [N-]=[N+]=N[C@H]1CCC[C@H]1NS(=O)(=O)N1CCC(O)CC1 2225799815 MJYBZRBCTZLRLA-VHSXEESVSA-N 289.361 0.509 10 10 CCCE COc1ccc(N2CCOC[C@@](C)(CO)C2)c(CN)c1 2235972137 KAWBJKRETMUHDW-OAHLLOKOSA-N 280.368 0.989 10 10 CCCE CNCc1cc(OC)ccc1N1CCN(C)C(=O)C1 2227676127 QUYNJJGQPWZGPX-UHFFFAOYSA-N 263.341 0.693 10 10 CCCE C[C@]1(CN)C=CCN1C(=O)c1cc(O)c(O)c(O)c1 2228859615 AMARDHRQTUULFA-CYBMUJFWSA-N 264.281 0.533 10 10 CCCE COc1cc(N2CC[C@@H]2[C@H](O)CO)ccc1CN 2258308138 GPDGPCYOAWSPRX-VXGBXAGGSA-N 252.314 0.086 10 10 CCCE C[C@@H](N)c1ccc(N2CC[C@H](O)[C@H](O)CC2)cc1O 2269136967 DNEKFGLOVBUKPB-WQAKAFBOSA-N 266.341 0.734 10 10 CCCE O=C1NC(=O)N(Cc2ccco2)C(=O)C1=CNC1CC1 2296139070 QFHNELNGQWRCLJ-UHFFFAOYSA-N 275.264 0.494 10 10 CCCE CCN1C(=O)C(=CNCc2ccccn2)C(=O)NC1=S 2296147101 CVGHQLZWABUUMX-UHFFFAOYSA-N 290.348 0.318 10 10 CCCE COc1cc(OC)c(N2CC[C@@H]2[C@H](O)CO)c(OC)c1 2287071366 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CNC(=O)[C@H]1CCCN1[C@@H](C)C(=O)Nc1ccc(N)cc1 42391010 NTSMPPZUENNIBR-GXFFZTMASA-N 290.367 0.806 10 10 CCCE C[C@H](N[C@@H]1CCC(=O)NC1=O)c1ccc(O)cc1O 89754210 SUYLVKDOBWDTDC-OIBJUYFYSA-N 264.281 0.554 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@@H]1COC[C@@H]1N 90382883 CHIXNSBSBITSIA-MNOVXSKESA-N 250.298 0.324 10 10 CCCE COC(=O)c1cc(OCC(=O)C(C)=O)cc(C(=O)OC)c1 288836659 JLKSRLODWDYYSE-UHFFFAOYSA-N 294.259 0.797 10 10 CCCE CCN1CC(=O)N(CCOc2ccc(N)cc2)CC1=O 94469038 WECQLVBLCAOTCP-UHFFFAOYSA-N 277.324 0.338 10 10 CCCE CN(C)c1ccc(/C=C\C(=O)Nc2nn[nH]n2)cc1 709881815 MMMMYMARVBIKKN-YVMONPNESA-N 258.285 0.918 10 10 CCCE CS(=O)(=O)[C@H]1C[C@H](NC(=O)CCc2ccc(N)cc2)C1 714244464 DBVLHGOKFGVGEZ-JOCQHMNTSA-N 296.392 0.893 10 10 CCCE CNC(=O)[C@H]1CCN(c2ccc([C@H](C)N)c(O)c2)C1 723181046 GQGLPAQWTHGHHJ-UWVGGRQHSA-N 263.341 0.984 10 10 CCCE N[C@@H](c1cccc(Br)c1O)[C@@H](O)CO 713732568 PRRQAIMTLNSFHD-YUMQZZPRSA-N 262.103 0.508 10 10 CCCE C[C@@H](NC[C@]1(CO)COCCN1C)c1ccccc1O 903279096 ILKOIXJSVAKBTF-DOMZBBRYSA-N 280.368 0.736 10 10 CCCE [N-]=[N+]=NC[C@H]1OC(=O)C[C@]12CCCS(=O)(=O)C2 675054080 TWPNOSBXRDXJCK-APPZFPTMSA-N 259.287 0.807 10 10 CCCE O=C(c1cccc(O)c1O)N1C[C@@H]2C[C@H]1C[S@]2=O 846560168 KABIIRNDEPWNEZ-QQJLPTOTSA-N 267.306 0.443 10 10 CCCE NC(=O)CC(=O)NCc1ccc(N2CCOCC2)cc1 740742082 HBKIJKHEADWYDO-UHFFFAOYSA-N 277.324 0.015 10 10 CCCE CN[C@H](C)c1ccc(N2C[C@@H](O)C[C@@H]2CO)cc1O 698115788 OPEWSBYAQKXWKK-JLLWLGSASA-N 266.341 0.605 10 10 CCCE CCN(CC(=O)OC)Cc1cc2c(cc1O)OC[C@@H]2O 768451324 MRKJLFKGNYDHIW-LBPRGKRZSA-N 281.308 0.813 10 10 CCCE COc1cccc(CNC(=O)[C@@H](O)C2CCOCC2)c1O 769504046 UWBQSDWTEXOQPN-AWEZNQCLSA-N 295.335 0.805 10 10 CCCE CN1C[C@H](C(=O)N2Cc3cccc(O)c3C2)NC1=O 871206052 PVBSFKIXWOWFOV-SNVBAGLBSA-N 261.281 0.258 10 10 CCCE NC(=O)[C@@H]1CC[C@H]1C(=O)N1Cc2cccc(O)c2C1 871205732 XLXYGGLGTAMYKC-NXEZZACHSA-N 260.293 0.746 10 10 CCCE O=C(c1cccc(O)c1O)N1CCN2C(=O)OCC[C@@H]2C1 790906017 BKOLHENVJCLARX-SECBINFHSA-N 292.291 0.765 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CC[C@@H]4COC[C@@H]43)ccc21 1899149042 RFFOIGXOROREOX-JCOFBHIZSA-N 259.309 0.864 10 10 CCCE CC(C)(CO)CNC(=O)Cc1ccc(O)c(O)c1 1566520573 HVMHZKKRLUPVMB-UHFFFAOYSA-N 253.298 0.775 10 10 CCCE O=C(O)CCC(=O)[C@@H]1NCCc2c(O)ccc(O)c21 75799182 QGFGMFURLIWAFI-ZDUSSCGKSA-N 265.265 0.719 10 10 CCCE Cn1cncc1[C@H]1NCCc2c1cc(O)c(O)c2O 75819155 QUKJQXOTRLGUSD-NSHDSACASA-N 261.281 0.772 10 10 CCCE COCCOC(=O)CS(=O)(=O)Cc1ccc(N)cc1 58238202 JWCUIZALGSIJQH-UHFFFAOYSA-N 287.337 0.373 10 10 CCCE O=C(O)CC1(NC(=O)c2ccc(O)c(O)c2)CC1 398433698 URUWZVMMZFHIQF-UHFFFAOYSA-N 251.238 0.835 10 10 CCCE CNCc1ccc(N2CCC[C@@H](CO)[C@@H]2CO)cc1 709813886 CECDDZZCNHCWLJ-ZFWWWQNUSA-N 264.369 0.976 10 10 CCCE OC[C@H](CC(F)F)NCc1ccc(O)c(O)c1O 717768664 OPUJNCLUEPKAJP-ZETCQYMHSA-N 263.240 0.909 10 10 CCCE C[C@H](O)C1CN(CCC(=O)Nc2ccc(N)cc2)C1 719772524 AHLQGGMVDTYXPH-JTQLQIEISA-N 263.341 0.910 10 10 CCCE C[C@H](CC(N)=O)NC(=O)Cc1ccc(O)c(O)c1 1449689035 GCMVTLKIQIGRTO-SSDOTTSWSA-N 252.270 0.020 10 10 CCCE C[S@](=O)C1CN(C(=O)CCOc2ccc(N)cc2)C1 2115314507 RTIBNBIYAWRZNQ-IBGZPJMESA-N 282.365 0.627 10 10 CCCE [N-]=[N+]=NC1CN(C(=O)CN2CCCCCC2=O)C1 1912164150 SOWCXANIENTACK-UHFFFAOYSA-N 251.290 0.910 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CCOC[C@@H]3CF)ccc21 2126208630 SZCWSNHKLXHHRP-CABZTGNLSA-N 265.288 0.813 10 10 CCCE Cn1cnc(CCNCc2cccc(F)c2O)n1 158814122 HEZPWELCYRWOQT-UHFFFAOYSA-N 250.277 0.992 10 10 CCCE N[C@@H](CCCCNC(=O)c1cc(O)c(O)c(O)c1)C(=O)O 1865876180 VSGJISVUJKTALF-QMMMGPOBSA-N 298.295 0.115 10 10 CCCE NN[C@H](c1ccn2cnnc2c1)c1ccccc1O 2131540832 BVYRGJDXMBXLRI-CYBMUJFWSA-N 255.281 0.988 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@@H](O)[C@@H](F)C1 1653509218 HREMIWKDWIENDA-VHSXEESVSA-N 269.272 0.572 10 10 CCCE O=C(N[C@@H]1CC[C@@H]2C[C@]21CO)c1cccc(O)c1O 2132099148 AOSUQCCUNGVNEH-UGQGEIBHSA-N 263.293 0.989 10 10 CCCE CN(CC1(O)CCC1)c1cc2c(cc1N)OCC(=O)N2 1914570343 YZJVJTLRXFFUFK-UHFFFAOYSA-N 277.324 0.951 10 10 CCCE CN(CCC(=O)Nc1ccc(N)cc1)C(C)(C)C(N)=O 1915542232 GFTVVVZPADLBIR-UHFFFAOYSA-N 278.356 0.793 10 10 CCCE C[C@H]1C(=O)N(CC(=O)Nc2ccc(N)cc2)C(=O)[C@@H]1C 118407641 AODADTZZPKCTOC-RKDXNWHRSA-N 275.308 0.848 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N(C)[C@H]3CCOC3)cc21 228384046 YXUCPJVWBCGVNY-GXFFZTMASA-N 261.325 0.888 10 10 CCCE C[C@H](N)c1ccc(N2C[C@@H](C)O[C@@H](CO)C2)cc1O 229970124 UCASWGZRPYHHSZ-JFGNBEQYSA-N 266.341 0.998 10 10 CCCE COc1cc(N(C)C2CC(C(N)=O)C2)ccc1CO 2139684272 IHJIJBCMGZPXDH-UHFFFAOYSA-N 264.325 0.888 10 10 CCCE Cc1cccc(CNC(=O)[C@@H]2NCCO[C@H]2C)c1O 2139761111 FPLAHKOZFNOLOK-CMPLNLGQSA-N 264.325 0.694 10 10 CCCE CCNC(=O)[C@@H]1CNCCN1Cc1cc(F)ccc1O 233492738 KPXXHLRZSYAVNJ-LBPRGKRZSA-N 281.331 0.441 10 10 CCCE COC[C@@H](CNS(=O)(=O)Cc1ccc(N)cc1)OC 234720348 JAKSXBWJWBSYFO-GFCCVEGCSA-N 288.369 0.350 10 10 CCCE C[C@H]1CO[C@@H](CN)CN1C(=O)c1cccc(O)c1O 126838611 SYTBDCPYJGXFMH-IUCAKERBSA-N 266.297 0.286 10 10 CCCE C[C@@H]1C[C@@H]2CNC[C@@H]2N1C(=O)c1ccc(O)c(O)c1 235404824 BIVYOXFDCBFKRW-IEBDPFPHSA-N 262.309 0.920 10 10 CCCE COc1cccc(CN2C[C@@H](N)C[C@@H](C(N)=O)C2)c1O 2151020826 GCHJOIIYRVWMHD-MNOVXSKESA-N 279.340 0.035 10 10 CCCE CN(C)Cc1cc(C2([C@H](O)C(=O)O)CC2)ccc1O 1952858844 LYLJDMHFZTUVFM-GFCCVEGCSA-N 265.309 0.931 10 10 CCCE CCOc1cccc(CN2C[C@@H](O)C[C@@H](N)C2)c1O 1971879379 FCVZCUYYMWBQQB-NEPJUHHUSA-N 266.341 0.685 10 10 CCCE NC[C@]1(F)C[C@@H](CNC(=O)Cc2ccc(O)c(O)c2)C1 1974022639 KAOMBQHYYJRTFK-WJONMLJTSA-N 282.315 0.834 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CCS[C@H](CCO)C1 2144027743 OADLYMFQBDDGTH-LLVKDONJSA-N 297.376 0.967 10 10 CCCE NC(=O)CO[C@H]1CCN(C(=O)Nc2ccc(N)cc2)C1 2145376714 FOBLXDWZPILHLW-NSHDSACASA-N 278.312 0.377 10 10 CCCE C[C@@H]1CN(C(=O)COc2ccc(N)cc2)CC[C@@H]1O 165929416 BEFGESOLFPAEIM-MFKMUULPSA-N 264.325 0.877 10 10 CCCE N[C@@]12C[C@@H]1CN(c1cc3c(cc1[N+](=O)[O-])OCCO3)C2 2151466903 KGFMGGSNPXWDRM-AMIZOPFISA-N 277.280 0.903 10 10 CCCE COc1ccc(N2C[C@H](N(C)C)[C@H](O)C2)c(N)c1 2029421860 IIMQEZFCAZFCTM-QWHCGFSZSA-N 251.330 0.389 10 10 CCCE C[C@@H]1[C@](O)([C@H](N)c2ccccc2O)CCS1(=O)=O 2031160646 PDRINZCTAQQFGT-FXAINCCUSA-N 271.338 0.330 10 10 CCCE C[C@@H](CS(N)(=O)=O)N[C@@H]1CCc2cccc(O)c21 2035443541 DFAQTPIZFUBKIO-WCBMZHEXSA-N 270.354 0.646 10 10 CCCE C[C@@H]1CN(S(=O)(=O)Nc2ccc(O)cc2)CCN1 2041587761 SRWMPQDAKZPQJT-SECBINFHSA-N 271.342 0.343 10 10 CCCE [N-]=[N+]=N[C@H]1CCCN(C(=O)[C@@H]2CCS(=O)(=O)C2)C1 403401559 UKYSQVJPNKTMII-BDAKNGLRSA-N 272.330 0.722 10 10 CCCE C[C@H](Cn1nnnc1C1=S=Nc2ccccc21)C(=O)O 2159966450 ZUQUHCYKYWUCDV-SSDOTTSWSA-N 289.320 0.874 10 10 CCCE O=C(NC[C@@H]1CO[C@@H]2COC[C@H]21)c1cccc(O)c1O 2158066147 REWDEVZPUWOGRG-UBHAPETDSA-N 279.292 0.489 10 10 CCCE CC[C@@H](N)[C@](O)(c1ccn(C)c(=O)c1)C(F)(F)F 315029298 VFEDMQKPONKHGC-PSASIEDQSA-N 264.247 0.873 10 10 CCCE CC[C@H](N)c1ccc(N2C[C@@H](O)[C@H](CO)C2)cc1 316583664 WGZYMMWFGOASAX-FPMFFAJLSA-N 250.342 0.886 10 10 CCCE O=C1NC(=O)[C@H]2CN(c3ccc(CO)cc3Cl)CC[C@@H]12 2158789171 IMNDTLPODPGTKQ-ZJUUUORDSA-N 294.738 0.931 10 10 CCCE CC[C@@H](C(=O)O)N(CC(N)=O)Cc1ccc(N)cc1 84104354 NNXBXKFPEDIKPZ-NSHDSACASA-N 265.313 0.419 10 10 CCCE CN(CCNCc1ccc(F)c(F)c1O)S(C)(=O)=O 703342953 YJTBREMEBIENNO-UHFFFAOYSA-N 294.323 0.651 10 10 CCCE CCC(CO)(CO)NCc1cc(F)cc(F)c1O 708455735 YLINJSNDVPALBD-UHFFFAOYSA-N 261.268 0.893 10 10 CCCE CC[C@H](CO)N(C)c1cc2c(cc1N)OCC(=O)N2 381045426 OWDUDIYQAMMGMH-MRVPVSSYSA-N 265.313 0.807 10 10 CCCE CCn1ncc(C(=O)Nc2ccc(O)cc2C(=O)O)n1 2172442755 NAOXMUMGTFEIDP-UHFFFAOYSA-N 276.252 0.954 10 10 CCCE CN(C)CC1CN(S(=O)(=O)Cc2ccc(N)cc2)C1 382787714 WZODESMNYSNSSQ-UHFFFAOYSA-N 283.397 0.592 10 10 CCCE NCC[C@H](NC(=O)c1cccc(O)c1O)C(F)F 383324352 SSDQSELSLMJEKS-ZETCQYMHSA-N 260.240 0.810 10 10 CCCE CCOc1cccc(CNC[C@@H](O)[C@H](C)O)c1O 717298939 VHUHKNFHKAXYPN-GXSJLCMTSA-N 255.314 0.622 10 10 CCCE C[C@@H]1[C@H](CN)CCN1C(=O)c1ccc(O)c(O)c1 385881034 LEFDPQHHQSFOHJ-SCZZXKLOSA-N 250.298 0.907 10 10 CCCE C[C@H](NC[C@@H]1CN2CCN1CC2)c1cc(O)ccc1O 394707703 UDXCBDVJEAKBPP-NWDGAFQWSA-N 277.368 0.748 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)[C@H]1CCNC[C@H]1F 2164572888 BMUVCIVKFSIYMI-WDEREUQCSA-N 282.315 0.704 10 10 CCCE C[C@@H]1C[C@@H]1N(CCO)C[C@H](O)COc1ccc(N)cc1 2167106793 NBVSVAKQTJLUQQ-ZLDLUXBVSA-N 280.368 0.711 10 10 CCCE Oc1ccc(CNC[C@@H]2C[C@H]3C[C@H]2[C@@H](O)[C@H]3O)c(O)c1 2174415385 AQOZUCUTAPGYOY-ZCNHVBTFSA-N 279.336 0.565 10 10 CCCE O=C(NCC1CN(C2COC2)C1)c1ccc(O)c(O)c1 2171162036 WHRZBYLCSMZNKT-UHFFFAOYSA-N 278.308 0.158 10 10 CCCE COCCNCc1ccc(N2CC(=O)NC[C@H]2C)cc1 2181166588 BFPYOUKXECMZPA-GFCCVEGCSA-N 277.368 0.747 10 10 CCCE C[C@@H](NC(=O)[C@@H]1[C@@H]2CS(=O)(=O)C[C@@H]21)c1ccccc1O 2192618749 ZHCUQZAVYKCSNV-GMTLJSCSSA-N 295.360 0.860 10 10 CCCE N[C@@H]1C[C@@H]2CN(C(=O)c3cc(O)c(O)c(O)c3)C[C@@H]2C1 2188915635 JTVVWTYEIFPBNP-ILWJIGKKSA-N 278.308 0.613 10 10 CCCE C[C@@]12CN(C(=O)c3cc(O)c(O)c(O)c3)C[C@@]1(CN)C2 2188909066 IGWUZPZVYHKKFC-KGLIPLIRSA-N 278.308 0.614 10 10 CCCE NCc1ccc2c(c1)CCCN2C[C@@H](O)C(=O)O 2044392301 DPTRAOHNDIKHQF-GFCCVEGCSA-N 250.298 0.343 10 10 CCCE COC[C@@H](C)NC(=O)CN1CCC[C@H]1CN=[N+]=[N-] 2059060489 WLHGTNXAFAQHIS-ZJUUUORDSA-N 255.322 0.912 10 10 CCCE COc1cc(N)c(N2CCNC[C@H]2C(=O)O)cc1OC 2191555154 DVELDCQGCYFNOQ-JTQLQIEISA-N 281.312 0.149 10 10 CCCE COC(=O)[C@@]1(NCCCN=[N+]=[N-])CC(=O)N(C)C1 2068219672 IKZXEMNNRLBBBD-SNVBAGLBSA-N 255.278 0.050 10 10 CCCE NCC1(CNC(=O)c2cc(O)c(O)c(O)c2)CC1 2068614879 JBMUQEHRCMSMLN-UHFFFAOYSA-N 252.270 0.272 10 10 CCCE CN1C[C@@H]2C[C@H]1CN2C[C@H](O)COc1ccc(N)cc1 2187560206 PWSBABDUXSSXHL-IHRRRGAJSA-N 277.368 0.397 10 10 CCCE Nc1ccc(OCCS(=O)(=O)N2CCCN2)cc1 2071733744 KACASNMIIAJKHA-UHFFFAOYSA-N 271.342 0.188 10 10 CCCE CS(=O)(=O)CNC(=O)N1CCC[C@H](N=[N+]=[N-])CC1 2082959343 NIUVIAMDKSUNEH-QMMMGPOBSA-N 275.334 0.863 10 10 CCCE N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2NC(=O)c1cccc(O)c1O 2104408538 PAHFXZREEMZARI-URPMGSGRSA-N 262.309 0.953 10 10 CCCE CC[C@H](O)CN(C)c1ccc2c(c1)N(C)C(=O)[C@H]2N 2106620485 JKQDJQCODUCAJM-GWCFXTLKSA-N 263.341 0.870 10 10 CCCE CN[C@@H](C)c1ccc(N2CC(NC(N)=O)C2)cc1O 2106927493 JBHWAPZZJQJGCE-QMMMGPOBSA-N 264.329 0.530 10 10 CCCE CO[C@@H]1CC(NCCCN=[N+]=[N-])(C(=O)O)C[C@H]1OC 2109828690 VSKXKUBSLLLNKQ-RKDXNWHRSA-N 272.305 0.924 10 10 CCCE NC[C@@H]1C[C@H](NC(=O)c2cccc(O)c2O)[C@H]2C[C@@H]21 2110580232 QLJUPYAPPDLZCH-VFRUTBLMSA-N 262.309 0.811 10 10 CCCE O=C(N[C@@H]1CCC[C@H]1CCO)c1cc(O)nc(O)c1 2090564251 QALJRUCJIFTITD-WCBMZHEXSA-N 266.297 0.774 10 10 CCCE O=C(O)[C@@H]1C[C@@H](O)CN(Cc2cc(F)cc(F)c2O)C1 2201044903 NYTYBHXFEXCFQC-PSASIEDQSA-N 287.262 0.938 10 10 CCCE C[C@H](c1ccc(N(C)C)cc1)N(CC(N)=O)CC(=O)O 2201044545 IELJDQKYOIYHGN-SNVBAGLBSA-N 279.340 0.686 10 10 CCCE CCOCCS(=O)(=O)Nc1ccc(O)c(N)c1 2214994153 KPTSMNHOAPAVNK-UHFFFAOYSA-N 260.315 0.753 10 10 CCCE Cc1cccc(CNC(=O)[C@H]2CCC3(CNC3)O2)c1O 2205372025 QZVQQBJYIGIYGV-GFCCVEGCSA-N 276.336 0.838 10 10 CCCE N[C@@H]1CCCc2cc(N3CC(O)(CCO)C3)ccc21 2270669244 IKIDILBQCVUFRH-CQSZACIVSA-N 262.353 0.956 10 10 CCCE COc1ccc(N2C[C@@H](O)[C@H](CO)C2)c(C=O)c1 2220422362 YFRGMNNOJVFUOU-GXFFZTMASA-N 251.282 0.297 10 10 CCCE Nc1ccc(OCC(=O)N2CC(CCCO)C2)cc1 2230657471 ZSMCFJNWMKRQFL-UHFFFAOYSA-N 264.325 0.879 10 10 CCCE CC[C@H](N)c1ccc(N2CC[C@@](O)(CO)[C@H](O)C2)cc1 2234102595 ZZOZACGZEGJVJT-RRFJBIMHSA-N 280.368 0.391 10 10 CCCE Nc1ccc(OC[C@H](O)CN2C[C@@H](O)C[C@@H](F)C2)cc1 2234660373 OINVIPFFSRZINL-KGYLQXTDSA-N 284.331 0.413 10 10 CCCE COC[C@@H]1[C@H](O)[C@H](O)CN1c1ccc(OC)c(F)c1F 2235223937 RTYDUXPNYNNVRV-KKFJDGPESA-N 289.278 0.530 10 10 CCCE COc1ccc(N2C[C@@H]3CN[C@H](CO)[C@H]3C2)cc1OC 2235555794 VORMOEAUIBYTTH-WCFLWFBJSA-N 278.352 0.720 10 10 CCCE CNCc1cc(OC)ccc1N1CC[C@H](O)[C@](C)(O)C1 2235966767 XTXZYJLJCZDZFF-LSDHHAIUSA-N 280.368 0.737 10 10 CCCE COc1ccc(N2C[C@@H]3COC[C@@]3(CO)C2)c(N)c1 2226150367 HXCSWBKLPIRTAP-YGRLFVJLSA-N 264.325 0.723 10 10 CCCE OC[C@@H](O)[C@@H]1COCCN1c1ccc2c(c1)CCO2 2226755952 YICXFUQYKLTYSC-QWHCGFSZSA-N 265.309 0.180 10 10 CCCE COc1cccc(CNCCN2C[C@H](C)NC2=O)c1O 2239302293 CKAVLGHHDDEYBT-JTQLQIEISA-N 279.340 0.904 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N3C[C@@H]4C[C@H](C3)[C@@H]4O)cc21 2286197257 YPOBFNJFDKYRKD-KNUWBNEDSA-N 273.336 0.480 10 10 CCCE CO[C@@]1(CS(=O)(=O)CCCN=[N+]=[N-])CCOC1 2249131527 JTVGMRNXNIELEE-VIFPVBQESA-N 263.319 0.907 10 10 CCCE Nc1ccc(CCNC(=O)c2cc(=O)cc[nH]2)cc1 2269715205 MMXUIKJCCREMMY-UHFFFAOYSA-N 257.293 0.930 10 10 CCCE CSc1ncc(CNS(=O)(=O)[C@@H]2CC[C@@H]2N)s1 2300766146 QFKMKCLCKMXKHM-JGVFFNPUSA-N 293.439 0.774 10 10 CCCE Cc1cc(N2C[C@@H]3C[C@H]2[C@@H](O)[C@@H]3O)ccc1[C@H](C)O 2334468745 JHBWICNIJYCBIT-FQOPFDEGSA-N 263.337 0.979 10 10 CCCE CSC1(C(=O)O)CN(C(=O)c2cc(O)nc(O)c2)C1 2336996710 ROXIHPCHSATWBY-UHFFFAOYSA-N 284.293 0.135 10 10 CCCE Nc1ccc(OCCNS(=O)(=O)NC2CC2)cc1 126105341 HITQEENZYFCGQQ-UHFFFAOYSA-N 271.342 0.234 10 10 CCCE CN(CC(=O)NC1CC1)c1cc2c(cc1N)OCC(=O)N2 36131403 IUOMAXIVZWRMPN-UHFFFAOYSA-N 290.323 0.315 10 10 CCCE N[C@H]1C[C@@](F)(CNC(=O)c2cc(O)c(O)c(O)c2)C1 2132411247 TWSFLTAPGZXHKO-HCJPZQEFSA-N 270.260 0.363 10 10 CCCE CNC(=O)NC(=O)[C@@H](C)N(c1ccc(CN)cc1)C1CC1 34655542 WFPIUCNXSJOBDZ-SNVBAGLBSA-N 290.367 0.958 10 10 CCCE C[C@H](CCN(C)C)NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 49559709 QBRRPRBWVKNTAG-PWSUYJOCSA-N 295.383 0.424 10 10 CCCE NC1(C(=O)N[C@@H](Cc2ccc(O)c(O)c2)C(=O)O)CCC1 98192476 JINYGUKRECRPDD-VIFPVBQESA-N 294.307 0.091 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NCC[C@@H]1COC[C@H]1O 2167593723 YKIRNTZYQFWSFF-ZWNOBZJWSA-N 281.308 0.154 10 10 CCCE CCOC(=O)c1cnc(C)c(C(=O)OCC(=O)C(C)=O)c1 808533204 IOWSRTRMTQTVJY-UHFFFAOYSA-N 293.275 0.882 10 10 CCCE NC(=O)C1(N)CCN(c2ccc3c(c2)COCC3)CC1 2162639595 GYVXQXANCGEBSE-UHFFFAOYSA-N 275.352 0.542 10 10 CCCE CN1CCCc2cc([C@H](Cn3cnnn3)NN)ccc21 2163159005 VLUASJSKCLWCFX-LBPRGKRZSA-N 273.344 0.260 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3C[C@@H]4C[C@H](C[C@@H]4O)C3)ccc21 2163564177 OHDNUXAWWFTRQH-OBPYKSBLSA-N 273.336 0.846 10 10 CCCE N[C@@H](c1cc(Br)ccc1O)[C@H](O)CO 713727702 ITOPMQGNHAMJRS-BDAKNGLRSA-N 262.103 0.508 10 10 CCCE COc1ccc(N2CC[C@H](NC(=O)NCCCN)C2)cc1 851661654 MTUFBXOQUWLPCQ-LBPRGKRZSA-N 292.383 0.922 10 10 CCCE COc1cccc([C@H](C)N[C@H]2CCNC2=O)c1O 850482540 TVSYMMUKNQAJOF-WPRPVWTQSA-N 250.298 0.940 10 10 CCCE CC[C@@H](NC(=O)COc1ccc(N)cc1)C(=O)NC 697911150 XJLPFMRNBUIGNV-LLVKDONJSA-N 265.313 0.288 10 10 CCCE C[C@@H](NC(=O)[C@H]1CNCCOC1)c1ccccc1O 877255468 DTRSWQBLIWWRRI-MNOVXSKESA-N 264.325 0.805 10 10 CCCE Oc1cc(F)ccc1CN[C@H]1CCn2nnnc2C1 1875665811 DDLSJULNSDNCIJ-JTQLQIEISA-N 263.276 0.622 10 10 CCCE C[C@@]1(N)CCN(C(=O)CCOc2ccc(N)cc2)C1 1876486121 DMLIGASLPWGULL-CQSZACIVSA-N 263.341 0.987 10 10 CCCE O=C(NCC[C@H]1C[C@@H](O)C1)c1cc(O)c(O)c(O)c1 1876620843 JSLTWOBRYPQJHU-OTSSQURYSA-N 267.281 0.694 10 10 CCCE O=C1C[C@]2(CCN(C(=O)c3cc(O)cs3)C2)CN1 791027529 ALGNFNPNMKSOBW-GFCCVEGCSA-N 266.322 0.806 10 10 CCCE O=S1(=O)CC[C@@H](CNCc2ccccc2O)C1 38082577 AZPPCYYIKUMQLP-JTQLQIEISA-N 255.339 0.917 10 10 CCCE O=C(NCc1ccc(O)cc1O)c1nc2ncccn2n1 1162278979 PQYIBCVTQIERMF-UHFFFAOYSA-N 285.263 0.466 10 10 CCCE N[C@H](C(=O)NC[C@H]1CCCO1)c1cc(O)ccc1O 83483798 FCMMFMPDRWMKLQ-SKDRFNHKSA-N 266.297 0.393 10 10 CCCE C[C@@H]1CC[C@@H](C(=O)O)CN1C(=O)c1cc(O)nc(O)c1 397074828 DDRAEJRHUDFUCN-HTQZYQBOSA-N 280.280 0.818 10 10 CCCE CN(C(=O)Cc1ccc(N)cc1)[C@H]1C[C@@H](C(N)=O)C1 703500664 XSSWTVQGGAKQFD-KLPPZKSPSA-N 261.325 0.534 10 10 CCCE C[C@H](c1c(O)cccc1O)N1CCO[C@@H]2CNC[C@@H]21 686537263 OSZFMMWOJKPWAG-GBIKHYSHSA-N 264.325 0.831 10 10 CCCE O=C(c1cccc(O)c1O)N1CCC[C@H](CO)[C@@H]1CO 709866312 ICOUBXGBHARBFF-KOLCDFICSA-N 281.308 0.303 10 10 CCCE O=C(N[C@@H]1COCC[C@H]1O)[C@@H]1CNc2ccccc2N1 710865908 BBEMGTZEGWZZMJ-YNEHKIRRSA-N 277.324 0.159 10 10 CCCE O=C(N[C@@]12CCC[C@H]1CNC2)c1cc(O)nc(O)c1 711291773 FAIXICUKYNCPDD-TVQRCGJNSA-N 263.297 0.365 10 10 CCCE Nc1ccc(OCCNC(=O)[C@H]2CCC(=O)N2)cc1 63130444 KNYOYHQVCOBUHS-LLVKDONJSA-N 263.297 0.042 10 10 CCCE C[C@H](N)c1ccc(N2CC(=O)NC(=O)C2(C)C)cc1O 93671961 BBOJIKVXADQQDP-QMMMGPOBSA-N 277.324 0.653 10 10 CCCE CN(C)C[C@@H]1C[C@@H](O)CN1c1c(F)cc(CN)cc1F 97247621 LLNNYEUMBBZICI-WDEREUQCSA-N 285.338 0.925 10 10 CCCE O=C1CC[C@@H](C(=O)NCCc2ccc(O)c(O)c2)CCN1 1343947373 OLPABIIKHVGLBF-LLVKDONJSA-N 292.335 0.673 10 10 CCCE NC[C@@H]1C[C@H]2CN(C(=O)c3cccc(O)c3O)C[C@H]12 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CN(C[C@@H](O)COc1ccc(N)cc1)[C@@H]1CCOC1 158226227 ZOEHYSHAOAZPAD-CHWSQXEVSA-N 266.341 0.729 10 10 CCCE C[C@@H](O)c1ccc(N(C)CC(CO)CO)c([N+](=O)[O-])c1 2150413754 AVYXJGMLUIDWGH-SECBINFHSA-N 284.312 0.685 10 10 CCCE Nc1ccc(OCC(=O)N2C[C@H]3OCCO[C@@H]3C2)cc1 2149768184 CYGPLSLVMCYEOQ-CHWSQXEVSA-N 278.308 0.274 10 10 CCCE CS(=O)(=O)C[C@H]1CCCN1C(=O)c1ccc(O)c(O)c1 2151273110 OBNHTPQNQLFIEY-SNVBAGLBSA-N 299.348 0.747 10 10 CCCE NCc1ccc(N2CC[C@H]3C(=O)NC(=O)[C@@H]3C2)cc1F 2158787135 ZMMTWBILDOWAES-GHMZBOCLSA-N 277.299 0.383 10 10 CCCE CN1CCCc2cc([C@H](N)CS(=O)(=O)N(C)C)ccc21 2154696081 RBQPLLIMIGYUQI-CYBMUJFWSA-N 297.424 0.960 10 10 CCCE CNCc1ccc(OCC(=O)N2CCOCC2)c(C)c1 2155022243 NMGNPPBPUQCOMY-UHFFFAOYSA-N 278.352 0.952 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC[C@H](O)[C@H](F)C1 2027982329 SBPVMOUMCSLJJR-SFYZADRCSA-N 256.233 0.038 10 10 CCCE COc1ccc(O)c(CNCC(F)(F)C(N)=O)c1 2029283514 MGMXCLZFWLIJRG-UHFFFAOYSA-N 260.240 0.611 10 10 CCCE CS(=O)(=O)NCC(=O)N1CCC[C@H](N=[N+]=[N-])CC1 2038002631 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COc1cccc(CNC[C@@H]2CCO[C@H]2C(=O)O)c1O 716177119 TVVTYQYMYWYEGX-GXFFZTMASA-N 281.308 0.980 10 10 CCCE O=[N+]([O-])c1ccc(N2CCOC[C@@H](O)C2)cc1CO 399949904 SLTKJRFUVNACQN-NSHDSACASA-N 268.269 0.285 10 10 CCCE CC1(C)CNC(=O)CN1c1cc2c(cc1N)OCCO2 2175722806 PCSZQAWBQOULMH-UHFFFAOYSA-N 277.324 0.755 10 10 CCCE CCOC(=O)Cc1cc(O)n2nc(CC)c(C(=O)O)c2n1 2080917600 BADWCHIFPLCELT-UHFFFAOYSA-N 293.279 0.801 10 10 CCCE C[C@@H](NC(=O)c1cn(CCN)nn1)c1ccccc1O 2192621741 GEHQIXIWHXCHBM-SECBINFHSA-N 275.312 0.433 10 10 CCCE NC[C@]12C[C@@H]1CC[C@H]2NC(=O)c1cc(O)c(O)c(O)c1 2188916181 NQEBORNUWBFXIZ-OLXJLDBKSA-N 278.308 0.661 10 10 CCCE NC[C@]12CCC[C@@H]1CCN2C(=O)c1cc(O)nc(O)c1 2197350175 ZCKAWDPQHMJBNU-QMTHXVAHSA-N 277.324 0.836 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1[C@H]2CC[C@H]1[C@H](O)[C@H](O)C2 2190190752 MYYVCYJERSNLDX-NGERZBJRSA-N 279.292 0.197 10 10 CCCE C[C@@H](N)[C@@H]1CCN1C(=O)Cc1ccc(O)c(O)c1 2045156863 HLFVCTQQZOZMLU-SCZZXKLOSA-N 250.298 0.588 10 10 CCCE COc1ccc(CN[C@@H]2C[C@@H](O)C[C@H]2O)cc1C 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10 CCCE Nc1ccc(CN2CC[C@H](OCC(=O)O)C2)cc1 2076914169 JBTZCNHSRZABMI-LBPRGKRZSA-N 250.298 0.944 10 10 CCCE CNC(=O)C1(NC(=O)COc2ccc(N)cc2)CC1 2103565614 IAFLGJRGHVMNQY-UHFFFAOYSA-N 263.297 0.042 10 10 CCCE C[C@H]1CNC(=O)C[C@@](NCCCN=[N+]=[N-])(C(=O)O)C1 2103928867 PUGCBOMNCRGBNY-LDYMZIIASA-N 269.305 0.646 10 10 CCCE CO[C@H]1CN(CC(=O)c2ccc(O)c(O)c2)C[C@H]1F 2090291561 PXEVXFZNPMTQSX-RNCFNFMXSA-N 269.272 0.949 10 10 CCCE CS(=O)(=O)N1CC(CNc2ccc(N)cc2)C1 2213097446 SWOLJQREKMIRSU-UHFFFAOYSA-N 255.343 0.572 10 10 CCCE C[C@H]1CN(C(=O)c2ccc(O)c(O)c2)CCCN1 2217966777 MBVWFQRJSUXQJM-VIFPVBQESA-N 250.298 0.922 10 10 CCCE Cn1cccc(C(=O)NCc2cc(N)ccc2O)c1=O 2236081902 FUHCHKMSTLYUSK-UHFFFAOYSA-N 273.292 0.603 10 10 CCCE O[C@@H]1CCN(c2ccc3c(c2)OC(F)(F)O3)C[C@H]1O 2226703267 XARSRIRBJXDWKJ-RKDXNWHRSA-N 273.235 0.940 10 10 CCCE OCc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]2C[C@H]3[C@@H](O)[C@H]2O)cc1 2237073743 QKIJKDXJBOYBGE-SQNSNAQRSA-N 275.348 0.603 10 10 CCCE Nc1ccc(OCCN2C[C@H]3CCO[C@@]3(CO)C2)cc1 2239818966 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CCC[C@H](CNC(=O)c1cc(O)c(O)c(O)c1)NC 2132404768 UQJCPEWXXKQGEU-SECBINFHSA-N 268.313 0.921 10 10 CCCE O=C(N[C@@H]1[C@H]2CCCO[C@H]21)c1cc(O)c(O)c(O)c1 2132408455 WXSFNLWHJZBWAZ-NYRNMGCKSA-N 265.265 0.711 10 10 CCCE O=C([C@@H]1CCCN1Cc1ccccc1O)N1CCNCC1 40508102 WCJSEAGGJQDUEP-AWEZNQCLSA-N 289.379 0.788 10 10 CCCE COc1cc2c(cc1OC)[C@](O)(CCN)CN2C 527416546 PFEVMTRYWOCMBD-ZDUSSCGKSA-N 252.314 0.690 10 10 CCCE NC(=O)CC(=O)NCc1c(O)ccc2c1CCCC2 269081570 GSSLDMJJRDGSOP-UHFFFAOYSA-N 262.309 0.763 10 10 CCCE COC(=O)NS(=O)(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-] 2213592283 RYSGJQMPZXFHAL-NTSWFWBYSA-N 263.279 0.408 10 10 CCCE C[C@@]1(CO)CCCCN1C(=O)c1cc(O)nc(O)c1 723047462 QXUPAMIYKAACIG-ZDUSSCGKSA-N 266.297 0.870 10 10 CCCE COc1ccc(O)c(CNC(=O)[C@H](O)C(C)(C)O)c1 901129305 DEJJOZZBHIPIIQ-NSHDSACASA-N 269.297 0.149 10 10 CCCE CN(Cc1ccccc1O)C(=O)C1CS(=O)(=O)C1 866596176 CKEHJDVUVSHZLR-UHFFFAOYSA-N 269.322 0.395 10 10 CCCE O=C(/C=C\c1ccc(O)c(O)c1)NC[C@H](O)[C@@H]1CCCO1 862657546 JTWWHIBOUSDFHC-WFVZMWEJSA-N 293.319 0.767 10 10 CCCE C[C@H]1OCC[C@@H]1S(=O)(=O)NCc1ccc(O)cc1O 867417200 NWCYKJUZILFUJP-PELKAZGASA-N 287.337 0.695 10 10 CCCE COc1cccc(CN2C[C@@H](O)C[C@@H](O)C2)c1O 769565443 WRGVZWPAABIOLW-PHIMTYICSA-N 253.298 0.328 10 10 CCCE Nc1ccc(NC(=O)NCC[C@@H]2COC[C@@H]2O)cc1 1876165303 MCTRBICNKOCOSE-SKDRFNHKSA-N 265.313 0.788 10 10 CCCE CCNC1CN(C(=O)CCOc2ccc(N)cc2)C1 1876440377 UBFSYEFMXSHKSA-UHFFFAOYSA-N 263.341 0.858 10 10 CCCE Nc1ccc(OCC(=O)N[C@H]2CCCCNC2)cc1 1876520031 RZZOOMUMIOUOGC-LBPRGKRZSA-N 263.341 0.906 10 10 CCCE CC(C)(C)[C@H](O)[C@H](N)C(=O)NCc1ccccc1O 1878025401 IALNIXDFSWIPCA-NWDGAFQWSA-N 266.341 0.743 10 10 CCCE [N-]=[N+]=NCCCCNC(=O)CCN1C(=O)CCC1=O 701318192 BXALKIXUUXSILJ-UHFFFAOYSA-N 267.289 0.732 10 10 CCCE C[C@@H]1[C@H](O)C[C@H]2CC[C@H]1N2C(=O)c1cc(O)nc(O)c1 686169451 GALWIUNEEPANEE-AYHFEMFVSA-N 278.308 0.867 10 10 CCCE CCCNC(=O)CCNC(=O)Cc1ccc(O)c(O)c1 1441959161 OZXSAQAFZRXAQB-UHFFFAOYSA-N 280.324 0.673 10 10 CCCE CN1C(=O)[C@H](O)c2ccc(N3CCO[C@H]4C[C@@H]43)cc21 2115219006 BXSPGGZWDRDBCR-RWMBFGLXSA-N 260.293 0.674 10 10 CCCE COCC(O)(CNCc1cccc(O)c1O)COC 2119286612 UVZHFXFCMJPGML-UHFFFAOYSA-N 271.313 0.211 10 10 CCCE COc1ccc(CN2CCO[C@H](CCN)C2)c(O)c1 2119436420 FYKYYQLWAFPQFY-CYBMUJFWSA-N 266.341 0.950 10 10 CCCE CCN1C[C@H]2CNCC(=O)N2c2cc(OC)ccc21 215427214 IQFBMGXAOLJTNV-SNVBAGLBSA-N 261.325 0.840 10 10 CCCE Nc1ccc(O)c(CN2C[C@@H]3OC[C@@H](CO)[C@@H]3C2)c1 2121596669 ZNAHVHZTLNEPTM-OSMZGAPFSA-N 264.325 0.414 10 10 CCCE COc1ccc(CN2CC[C@@H](CO)[C@@H](N)C2)c(O)c1 2122333850 HYYIHULXYDZTPA-AAEUAGOBSA-N 266.341 0.542 10 10 CCCE O=C(NCc1c(O)ccc2ccccc12)C1(O)COC1 1635969541 SGOPAUROGXTYKN-UHFFFAOYSA-N 273.288 0.923 10 10 CCCE O=C(NCc1cccc(O)c1O)c1cc(=O)cc[nH]1 1643812238 ACLFKQUDAJYUIN-UHFFFAOYSA-N 260.249 0.716 10 10 CCCE C[C@@H]1CN2CCN1C[C@H]2C(=O)NCc1c(O)cccc1O 1645362713 AGOFRQSBRREBAU-PWSUYJOCSA-N 291.351 0.102 10 10 CCCE CN1C[C@@H](C(=O)NCc2cc(O)ccc2O)CC1=O 1651223175 YMFRENPFKCIJEV-VIFPVBQESA-N 264.281 0.192 10 10 CCCE COC1([C@@H](NCCCN=[N+]=[N-])C(N)=O)CCOCC1 1912147650 KHPNQSTXRZAVOL-VIFPVBQESA-N 271.321 0.326 10 10 CCCE CO[C@@H]1CNC[C@H](C(=O)NCc2ccccc2O)C1 1966877527 GFGNMHTVFWTPJM-NEPJUHHUSA-N 264.325 0.633 10 10 CCCE O=C(O)C[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O 6505385 PMKQSEYPLQIEAY-XCRNYIDWSA-N 296.231 0.582 10 10 CCCE endogenous,in-man CN(CC(=O)Nc1ccc(N)cc1)C[C@@H]1CCN1C 2129886475 HQPPLHHZUCCETA-ZDUSSCGKSA-N 262.357 0.843 10 10 CCCE NCc1ccc2c(c1)CCN2C[C@@H]1C[C@H](CO)CO1 2133392238 ZMDHMYMFWBMALJ-OCCSQVGLSA-N 262.353 0.905 10 10 CCCE CCN1CCO[C@@H](CNC(=O)c2ccc(O)c(O)c2)C1 227030870 SOYRFUBQJSQOHU-NSHDSACASA-N 280.324 0.548 10 10 CCCE CC1(C)C[C@H](O)CN(C(=O)c2cc(O)nc(O)c2)C1 1923161117 KYLSBGRMOJUYPL-VIFPVBQESA-N 266.297 0.726 10 10 CCCE NC(=O)CCCCNCc1cc2c(cc1O)OCO2 230032864 CCWDJAHISNNEPB-UHFFFAOYSA-N 266.297 0.866 10 10 CCCE CCN(C(=O)Cc1ccc(N)cc1)[C@@H]1CC(=O)NC1=O 1969124035 AMYVENGHIUMUIL-LLVKDONJSA-N 275.308 0.075 10 10 CCCE O=C1Nc2cc(N3C[C@@H]4OCCO[C@@H]4C3)ccc2[C@H]1O 2149759423 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2036008006 NGMDFVYDNILFTI-GFCCVEGCSA-N 270.354 0.555 10 10 CCCE CC[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)C[C@@H]1O 400452313 NUFFPLZRQMSOET-APPZFPTMSA-N 252.270 0.336 10 10 CCCE COC(=O)CCS(=O)(=O)N1CCC[C@@H](N=[N+]=[N-])C1 403691053 ZCRXHNAXGIOAJE-MRVPVSSYSA-N 276.318 0.654 10 10 CCCE NCc1ccc(N2CCC(O)(C(N)=O)CC2)cc1Cl 311604950 HVBDVXOKZXHQOE-UHFFFAOYSA-N 283.759 0.615 10 10 CCCE C[C@@H]1SCC[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 313451589 BWLWLSOWOSFKIC-LSJOCFKGSA-N 296.392 0.978 10 10 CCCE NCc1ccc(N2C[C@H]3C[C@H]2CS3(=O)=O)cc1F 322043348 XFOUHKGMDVJOPB-WDEREUQCSA-N 270.329 0.660 10 10 CCCE C[C@@H]1OCCN[C@@H]1C(=O)NCc1ccc(N(C)C)cc1 328334845 KAFQTCKXEPYQET-FZMZJTMJSA-N 277.368 0.746 10 10 CCCE CC[C@H](C)[C@H](NC(N)=O)C(=O)NCCCN=[N+]=[N-] 701335856 FCEPZDJYMDDMRD-YUMQZZPRSA-N 256.310 0.886 10 10 CCCE CN(CC(=O)c1ccc(O)c(O)c1)Cc1cnn(C)n1 2172408586 PIMKPXRSFFLHNK-UHFFFAOYSA-N 276.296 0.541 10 10 CCCE O=C(NC[C@@H]1C[C@H]2OCC[C@H]2O1)c1cccc(O)c1O 2163196623 AIGSVQJUUXKXHI-XXILOJSOSA-N 279.292 0.774 10 10 CCCE CN(CC(=O)c1ccc(O)c(O)c1)CC(C)(CO)CO 689772873 GNTHDXYYYVIHLM-UHFFFAOYSA-N 283.324 0.203 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)[C@@H]1CCCC(=O)N1 709674465 GFMPFVVRIBYBLC-IUCAKERBSA-N 251.290 0.956 10 10 CCCE OCc1ccc(N2CCC[C@H](CO)[C@H]2CO)c(F)c1 710077005 IWWDLQHSJXWMMF-BXUZGUMPSA-N 269.316 0.888 10 10 CCCE COc1ccc([C@H](C)NC2CS(=O)(=O)C2)c(O)c1 379908977 LKPOWCLIAOGLJW-QMMMGPOBSA-N 271.338 0.848 10 10 CCCE OCCN1CCC[C@H](NCc2ccc(O)c(O)c2O)C1 384484969 HXNZSRRAQUUHFP-NSHDSACASA-N 282.340 0.350 10 10 CCCE C[C@H]1C[C@H](O)CN1CC(=O)N(C)c1ccc(N)cc1 385091983 KWFOAJTZQCVCAM-GWCFXTLKSA-N 263.341 0.687 10 10 CCCE COc1cc(N)c(N2CCOC[C@H](O)C2)cc1OC 399904903 LNCOVFRXPDIEAA-SECBINFHSA-N 268.313 0.484 10 10 CCCE C[C@H](O)[C@@H]1CN(c2ccc3c(c2)NC(=O)[C@H]3N)CCO1 2174147894 KBESCDGZVCZVGY-HJIKLVIJSA-N 277.324 0.225 10 10 CCCE CN(C)c1ccc(CNC(=O)C[C@H]2CNC[C@H]2O)cc1 2174332937 QTWDXGPOFUCLRT-GXTWGEPZSA-N 277.368 0.339 10 10 CCCE CN(C)C(=O)[C@@]12CC[C@@](C)(C(=O)C1=O)[C@]2(C)CF 2078861807 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COc1ccc(N2CCOC[C@]2(C)CO)c(N)c1 2049942617 JXGMVKJZCDTFTG-ZDUSSCGKSA-N 252.314 0.865 10 10 CCCE NC[C@]1(O)CCCN(c2cc3c(cc2N)OCCO3)C1 2191566334 DJPKWOGUDFOONU-CQSZACIVSA-N 279.340 0.330 10 10 CCCE Nc1ccc(OCCS(=O)(=O)N2C[C@H]3C[C@@H]3C2=O)cc1 2191768676 NDSIQGQOTDWCTR-SKDRFNHKSA-N 296.348 0.456 10 10 CCCE C[C@H](O)[C@@H](N)C(=O)N(C)[C@@H](C)c1ccccc1O 2054763135 LRQWJHWYWBNPRO-HOTUBEGUSA-N 252.314 0.620 10 10 CCCE C[C@@H]1C[C@@]1(NC(=O)c1ccc(O)c(O)c1)C(=O)O 2058219450 BZHQUWFDLMGOPI-INWYIAFRSA-N 251.238 0.691 10 10 CCCE [N-]=[N+]=NCCNC1(C(=O)O)CC(n2cncn2)C1 2061741751 PMVAWAPFIIKHIZ-UHFFFAOYSA-N 251.250 0.336 10 10 CCCE O=C(NC[C@@]1(C(=O)O)CC1(F)F)c1cccc(O)c1O 2196493690 NVZJCKWYJCTXPE-LLVKDONJSA-N 287.218 0.938 10 10 CCCE Nc1ccc(OCC(=O)N[C@H]2CN3CC[C@H]2C3)cc1 2102527926 OTXLWMYECKPPAE-GWCFXTLKSA-N 261.325 0.468 10 10 CCCE Nc1ccc(CCCN2C[C@H]3C[C@H]2[C@@H](O)[C@@H]3O)cc1 2104415482 QKOIUNDSDODJBH-FAAHXZRKSA-N 262.353 0.627 10 10 CCCE NN[C@H](c1ccc(N2CCCC2)cc1)c1nc[nH]n1 2106823855 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CS(=O)(=O)CS(=O)(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-] 2213593017 VRMOGHSPEIDJGH-BQBZGAKWSA-N 282.347 0.139 10 10 CCCE CO[C@H]1CS(=O)(=O)C[C@H]1N(C)Cc1ccc(C)cc1O 2204670032 LXQGJWVGVZLFKZ-OCCSQVGLSA-N 299.392 0.944 10 10 CCCE COc1ccc(N2C[C@@H]3OCCO[C@@H]3C2)c(C(=O)O)c1 2235955385 HFBRPOFVCYRFDG-BETUJISGSA-N 279.292 0.997 10 10 CCCE COc1ccc(N2C[C@@H](CO)[C@H](CO)C2)c(C=O)c1 2227697991 AAWUYVJPIWGMTH-RYUDHWBXSA-N 265.309 0.545 10 10 CCCE [N-]=[N+]=NCCCCN1C[C@@H]2OC[C@H](CO)O[C@@H]2C1 2253900414 SYNMMKPAIKYPIE-GARJFASQSA-N 256.306 0.537 10 10 CCCE Cc1cc([C@H](C)O)ccc1N1CC(O)(CCO)C1 2258280236 CODYBKHHNDLAFC-NSHDSACASA-N 251.326 0.982 10 10 CCCE OC[C@H](O)[C@@H]1CCN1c1ccc2c(c1)OCCO2 2258334301 VBPYDVRQPFDVPD-QWRGUYRKSA-N 251.282 0.390 10 10 CCCE Cc1cc(N2C[C@H](O)[C@@H](O)[C@@H]2CF)ccc1[C@@H](C)N 2269664562 BUNFFGMYYDJJNS-HYNSBDGHSA-N 268.332 0.895 10 10 CCCE NC(=O)C[C@@H]1CCCN1CC(=O)c1ccc(O)c(O)c1 2285587082 ITAXYOGDMGSSFW-JTQLQIEISA-N 278.308 0.620 10 10 CCCE O=C1CN(C(=O)/C=C\c2cnccn2)c2ccncc2N1 491927335 SYXLKGIVMHWLHM-UPHRSURJSA-N 281.275 0.870 10 10 CCCE OC[C@H](O)CCN1CCc2cc(O)c(O)cc2C1 2318660547 RSGKHNOAHTXWEF-LLVKDONJSA-N 253.298 0.199 10 10 CCCE CCN(CCN=[N+]=[N-])C(=O)Cc1cc(O)nc(O)n1 2337778124 YVSGJTPWEIFHDR-UHFFFAOYSA-N 266.261 0.589 10 10 CCCE CO[C@H]1CNC[C@@](O)(c2ccc3c(c2)CCN3C)C1 2344507169 GTFYXLDRXPLHOE-UKRRQHHQSA-N 262.353 0.875 10 10 CCCE CSc1cc(N2C[C@H](O)[C@H](O)[C@H]2CF)ccc1CN 2353851615 MTKRLYDTMURQGA-NTZNESFSSA-N 286.372 0.747 10 10 CCCE CN(C)c1ccc(/C=C\C(=O)N(CCO)CCO)cc1 104027036 QWYXBUKRRWDVHW-YVMONPNESA-N 278.352 0.579 10 10 CCCE COc1ccc(N(C)C[C@H](O)CN2CCOCC2)cc1F 305073743 USEHITRWZDRABF-ZDUSSCGKSA-N 298.358 0.964 10 10 CCCE COC(=O)[C@H](NCCN=[N+]=[N-])c1cn(C)nc1C 128213401 DKKIZWVIUPMDLJ-SECBINFHSA-N 252.278 0.843 10 10 CCCE CCN(C(=O)c1cc(O)c(O)c(O)c1)[C@@H]1CCNC1 2132414719 ZPERYAJVLYESHF-SECBINFHSA-N 266.297 0.627 10 10 CCCE CNC(=O)[C@H](C)OC(=O)CCc1ccc(N)cc1 41101810 KEFDKVJSLWACOT-VIFPVBQESA-N 250.298 0.879 10 10 CCCE COC(=O)[C@]1(NCCN=[N+]=[N-])CCN2CCC[C@H]21 228019193 PYCAGQAPBYVQTJ-ONGXEEELSA-N 253.306 0.666 10 10 CCCE Nc1ccc(O)c(CNC(=O)c2csnn2)c1 87466182 VEESPHLFCNBVNN-UHFFFAOYSA-N 250.283 0.756 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@@H](O)C[C@H](F)C2)cc1 2226288635 GLLSVQHLIWMHTF-JQWIXIFHSA-N 288.344 0.503 10 10 CCCE CCNC(=O)[C@@H](C)NC(=O)c1ccc(O)c(O)c1 227014020 WDZURDMDQFIQAA-SSDOTTSWSA-N 252.270 0.352 10 10 CCCE COCCOC[C@@H](O)CNCc1ccccc1O 234733561 GOXNXICLKQDQEF-LBPRGKRZSA-N 255.314 0.506 10 10 CCCE C[C@@H](CC(N)=S)NC(=O)c1ccc(O)c(O)c1 235067444 XHGFIRHXGGBIKN-LURJTMIESA-N 254.311 0.892 10 10 CCCE CN[C@@H](c1ccc2c(c1)CCCN2C)c1nnnn1C 2164143864 TYKVSJCXEGWKJC-ZDUSSCGKSA-N 272.356 0.901 10 10 CCCE CC(=O)C(=O)COC(=O)CCOc1ccc(C(N)=O)cc1 808543957 ICBOGARYKOEZMF-UHFFFAOYSA-N 293.275 0.256 10 10 CCCE CNC(=O)CCN(C)c1cc2c(cc1Cl)[C@H](N)C(=O)N2 723200758 YDVGLQMBWSGJCN-LBPRGKRZSA-N 296.758 0.864 10 10 CCCE COCC(O)(COC)[C@@H](N)c1ccc2c(c1)CCN2C 2163134612 AVVFDVDFERHYGL-AWEZNQCLSA-N 280.368 0.703 10 10 CCCE Cc1cc(O)ccc1NS(=O)(=O)C[C@@H]1CNCCO1 722231631 MZSDUNUBFZRGSQ-NSHDSACASA-N 286.353 0.431 10 10 CCCE CN1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1=O 588407233 RAXCZGDCYFKJSC-HYXAFXHYSA-N 276.292 0.412 10 10 CCCE COC[C@H](CCNC(=O)C(=O)Nc1ccc(N)cc1)OC 850831818 GCDFMUASNKSWEZ-LBPRGKRZSA-N 295.339 0.375 10 10 CCCE CC(=O)N1CCO[C@H](C(=O)NCc2ccccc2O)C1 934936749 XGKZNSNZQWGXJF-ZDUSSCGKSA-N 278.308 0.256 10 10 CCCE Nc1ccc(OCC(=O)NCCCNC2CC2)cc1 1876448500 FUTSYDMBDGILPW-UHFFFAOYSA-N 263.341 0.906 10 10 CCCE CCO[C@@H]1C[C@H](N)[C@@H]1NC(=O)Cc1ccc(N)cc1 1876513531 GMXNOMJHXKMFRT-SCRDCRAPSA-N 263.341 0.432 10 10 CCCE CN(C)C(=O)C1(C(=O)NCc2ccccc2O)CC1 774063562 HBPZXVCCWFAHJF-UHFFFAOYSA-N 262.309 0.877 10 10 CCCE COCCCOC1CN(C(=O)c2cccc(O)c2O)C1 790857682 WEESYPPGDVPRDL-UHFFFAOYSA-N 281.308 0.975 10 10 CCCE CC(=O)C(=O)COC(=O)[C@@H](Oc1ccccc1)C(C)(C)O 795743707 ZUGQVWCQHAGBLW-CYBMUJFWSA-N 294.303 0.906 10 10 CCCE C[C@]1(O)CCN(Cc2cc(N)ccc2O)C[C@]1(C)O 1880702934 MXSNOZYFPPZUTM-KBPBESRZSA-N 266.341 0.682 10 10 CCCE O=C(N[C@H]1C[C@]12CCOC2)c1cc(O)c(O)c(O)c1 1896386380 CJKBCALMYIFIHR-GWCFXTLKSA-N 265.265 0.712 10 10 CCCE O=C(/C=C\Cn1cncn1)NCc1ccc(O)c(O)c1 1150378394 QPQYJHNKRJZJGU-UPHRSURJSA-N 274.280 0.562 10 10 CCCE CCOC(=O)CCCS(=O)(=O)NCCCN=[N+]=[N-] 1963988570 VMMLUEFJDGARNT-UHFFFAOYSA-N 278.334 0.950 10 10 CCCE O=C1NOC[C@H]1NCc1cccc(Br)c1O 393761719 MEMKAEYMQCAAIG-MRVPVSSYSA-N 287.113 0.674 10 10 CCCE Nc1ccc(CCC(=O)N2CCOC[C@H](O)C2)cc1 399972166 JJTIVNPPJFAMMO-CYBMUJFWSA-N 264.325 0.421 10 10 CCCE C[C@H](C(N)=O)N(C)CC(=O)c1ccc(O)c(O)c1 711157151 DNBBHRCXERUNKS-SSDOTTSWSA-N 252.270 0.086 10 10 CCCE COC[C@](C)(CO)NS(=O)(=O)Cc1ccc(N)cc1 716966811 DVFGQSHSVNFFLP-LBPRGKRZSA-N 288.369 0.086 10 10 CCCE Cc1cc(CN)ccc1N1CCN2C(=O)NC[C@@H]2C1 91751432 ZISHPKJSKQMNGM-GFCCVEGCSA-N 260.341 0.668 10 10 CCCE NC(=O)NC[C@H]1CCCCN1C(=O)c1cccc(O)c1O 1292698282 MTOLQURBGLTABY-SECBINFHSA-N 293.323 0.761 10 10 CCCE C[C@]1(NCc2c(O)cccc2F)CCC(=O)NC1=O 2116187672 HPTKDHLDKGDTHX-ZDUSSCGKSA-N 266.272 0.816 10 10 CCCE COC(=O)C1CN(S(=O)(=O)Cc2ccc(N)cc2)C1 2117781600 JZOKXSMVBGZYHR-UHFFFAOYSA-N 284.337 0.203 10 10 CCCE CCN1C[C@@H]2CNCC(=O)N2c2cc(OC)ccc21 215427173 IQFBMGXAOLJTNV-JTQLQIEISA-N 261.325 0.840 10 10 CCCE Cc1nccn1CC(=O)NCc1cc(O)ccc1O 1558175168 GPBGBLLCPGYEFN-UHFFFAOYSA-N 261.281 0.919 10 10 CCCE CCOC(=O)C[C@H](O)C(=O)NCc1ccc(N(C)C)cc1 1624401242 ATHHTHAJPXLHFB-ZDUSSCGKSA-N 294.351 0.683 10 10 CCCE COCC(COC)C(=O)NCc1cc(N)ccc1O 1909971207 OQIKVKGMMCTSRF-UHFFFAOYSA-N 268.313 0.500 10 10 CCCE COC(=O)NC(C)(C)C(=O)NCc1cccc(O)c1O 1644710675 JBFGSQOKABWFBP-UHFFFAOYSA-N 282.296 0.849 10 10 CCCE CCn1nc(C(=O)NCc2ccc(O)cc2O)ccc1=O 1643104219 QRHRYRAYAKUMOV-UHFFFAOYSA-N 289.291 0.604 10 10 CCCE C[C@H]1CC(=O)NCCN1C(=O)Cc1ccc(O)c(O)c1 1633587425 PNEGSGJCTCYGBC-VIFPVBQESA-N 278.308 0.377 10 10 CCCE COC(=O)CS(=O)(=O)N1CCC(CN=[N+]=[N-])CC1 1912164519 XATHESNEOVCTIV-UHFFFAOYSA-N 276.318 0.512 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)n2)C1 1912148819 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10 10 CCCE C[C@H]1C(=O)NCCN1c1cc2c(cc1Cl)[C@@H](N)C(=O)N2 221201424 PWLQPSVIBOCTPD-UPONEAKYSA-N 294.742 0.617 10 10 CCCE CN(NCc1cc(Cl)ccc1O)S(C)(=O)=O 1901365911 MLWHHJDKBFOEOU-UHFFFAOYSA-N 264.734 0.942 10 10 CCCE COc1ccc(CN2CC(CCN)(OC)C2)c(O)c1 1916762452 IEWDDIHZTJGVFH-UHFFFAOYSA-N 266.341 0.950 10 10 CCCE CC(=O)C(=O)[C@H](O)C(C)(C)NC(=O)OC(C)(C)C 1919303905 SDNSRYPNHQAWCE-VIFPVBQESA-N 259.302 0.809 10 10 CCCE CC(C)(C)NC(=O)CNC(=O)c1ccc(O)c(O)c1 226952991 GLIKSSKEVBIGHD-UHFFFAOYSA-N 266.297 0.742 10 10 CCCE COC[C@@](C)(CO)CNC(=O)c1cccc(O)c1O 1926964284 HDACHFUUZHMHAC-CYBMUJFWSA-N 269.297 0.473 10 10 CCCE N[C@@H]1CC[C@@]12C[C@@H]2C(=O)NCCc1ccc(O)c(O)c1 1968738714 DOEVYLNXLKGPAM-YVLXSGLVSA-N 276.336 0.884 10 10 CCCE CC(C)N(Cc1ccc(N)cc1)C(=O)Cn1cnnn1 2146483104 CLKALWVRJCPDRU-UHFFFAOYSA-N 274.328 0.693 10 10 CCCE OCCN(Cc1ccc(O)c(O)c1)C[C@H]1CCCN1 236512924 LHXDTUQHVABFRU-GFCCVEGCSA-N 266.341 0.644 10 10 CCCE CC(=O)N(C)CCN(C)C(=O)Cc1ccc(N)cc1 1970171674 SPVQLDIYNBAPOZ-UHFFFAOYSA-N 263.341 0.748 10 10 CCCE COC(=O)[C@@]1(c2cc(O)c(O)c(OC)c2)C[C@@H]1N 1952829479 LQCKANSECGYMOH-JOYOIKCWSA-N 253.254 0.248 10 10 CCCE CN(C[C@@H]1COCCO1)c1ccc2c(c1)NC(=O)[C@@H]2O 2143685257 IKIAKKGOYPXYRK-ZWNOBZJWSA-N 278.308 0.524 10 10 CCCE Cn1cc(-c2nc(-c3ccc(O)c(O)c3)no2)c(=N)[nH]1 2143797809 TUXIIZIMWBMFOL-UHFFFAOYSA-N 273.252 0.961 10 10 CCCE Nc1ccc(CN2CCOC[C@H]2C(=O)NC2CC2)cc1 159404601 WTLSGKROCVVGQK-AWEZNQCLSA-N 275.352 0.748 10 10 CCCE Nc1ccc(CCC(=O)N2CCCNC(=O)CC2)cc1 2145329595 PDEKXSJNMUCNDF-UHFFFAOYSA-N 275.352 0.940 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N3CC[C@H]3C(N)=O)c(Cl)cc21 2145614215 PICMZCOIVFKECE-GXSJLCMTSA-N 294.742 0.617 10 10 CCCE NC(=O)N[C@@H]1CCN(Cc2cccc(F)c2O)C1 272506141 WJLUZIZWCTVYBW-SECBINFHSA-N 253.277 0.774 10 10 CCCE O=S1(=O)C[C@H]2CN(c3ccc(CO)cc3)C[C@@H]2C1 2027588930 SGKNYDLCNJYDGS-VXGBXAGGSA-N 267.350 0.660 10 10 CCCE N=C(CC(=O)NCCc1ccc(O)c(O)c1)NO 2031070563 NHYRTEIJMFAMEH-UHFFFAOYSA-N 253.258 0.103 10 10 CCCE C[C@@H](O)c1ccc(N(C)C2CS(=O)(=O)C2)cc1O 2034770131 RZQKIJWOTQPTLN-MRVPVSSYSA-N 271.338 0.679 10 10 CCCE C[C@H]1C[C@@H](N(C)C(=O)c2ccc(O)c(O)c2)CN1 2037327979 HORLXNLVWIFVSG-WCBMZHEXSA-N 250.298 0.920 10 10 CCCE NC[C@H](NC(=O)c1ccc(O)c(O)c1)C(F)(F)F 401785647 SZYAHYWOYWEILS-QMMMGPOBSA-N 264.203 0.717 10 10 CCCE Cn1cncc1CCNC(=O)COc1ccc(N)cc1 401821664 BPPZZMQAELPPED-UHFFFAOYSA-N 274.324 0.740 10 10 CCCE CO[C@]1(CN)CCN(C(=O)c2cccc(O)c2O)C1 402848731 NCXYYIUWDKZRAI-ZDUSSCGKSA-N 266.297 0.288 10 10 CCCE COc1cc(N)c(N2CC[C@](CO)(OC)C2)cc1OC 402936424 YFFJWOPWZOVGEG-AWEZNQCLSA-N 282.340 0.874 10 10 CCCE CNCc1ccc(N2C[C@@H](O)[C@H](CO)C2)cc1C 317116560 QHGKPNNVNIEWFZ-GXTWGEPZSA-N 250.342 0.504 10 10 CCCE O=C(CN1C[C@H]2C[C@H]1CS2(=O)=O)c1ccc(O)c(O)c1 321504441 UDQMNLGKUHWOOJ-VHSXEESVSA-N 297.332 0.152 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1C[C@@]2(C(=O)O)C[C@@H]12 2161018117 BICNGRXTUVLATM-QIBSRJKCSA-N 277.276 0.620 10 10 CCCE NCc1ccc(N2CC[C@]3(C2)NC(=O)NC3=O)cc1F 2170622772 ZRKLQXPQHFJDHM-CYBMUJFWSA-N 278.287 0.073 10 10 CCCE C[C@@H](c1ccccc1O)N(C)C(=O)[C@@H](N)CN(C)C 702377242 KDGUIVYHFYHPPK-JQWIXIFHSA-N 265.357 0.801 10 10 CCCE COc1ccc(O)c(CN2CCO[C@H]3CNC[C@@H]32)c1 686532890 FMZFDOJYOIUUMC-JSGCOSHPSA-N 264.325 0.573 10 10 CCCE C[C@@H]1CN(c2ccc3c(c2)N(C)C(=O)[C@H]3O)C[C@H]1CO 708582071 ZTZOWCPMCLEVFB-BFVZDQMLSA-N 276.336 0.761 10 10 CCCE CCOC(=O)[C@H]1NC(=O)N(c2ccc(N)cc2)C1=O 709858212 AUEDHFFWYNWXRE-VIFPVBQESA-N 263.253 0.257 10 10 CCCE Cn1cnnc1COC(=O)COc1ccc(N)cc1 689638566 PNYDWOWGAFVLPE-UHFFFAOYSA-N 262.269 0.520 10 10 CCCE C[C@@H]1CN(C)C[C@H]1NC(=O)c1cccc(O)c1O 722282699 AJALGORCKFVKCU-PSASIEDQSA-N 250.298 0.778 10 10 CCCE CCOc1cccc(CNCCn2ncnn2)c1O 379829977 XCMMNWXDIVOOGO-UHFFFAOYSA-N 263.301 0.567 10 10 CCCE C[C@H]1CC[C@@H](N)CN1C(=O)c1cc(O)nc(O)c1 690986968 KEEBRDSIWYWXAS-IONNQARKSA-N 251.286 0.445 10 10 CCCE CCOc1cccc(CNC2CS(=O)(=O)C2)c1O 380069278 ZQOGIEDBPVSFOR-UHFFFAOYSA-N 271.338 0.678 10 10 CCCE COCC[S@](=O)C[C@@H](O)COc1ccc(N)cc1 722444117 RILVSLNEKNAYTP-VOJFVSQTSA-N 273.354 0.404 10 10 CCCE C[C@@]1(CO)CCN(CC(=O)c2ccc(O)c(O)c2)C1 394480760 DFFZFAHGWGTLKG-CQSZACIVSA-N 265.309 0.985 10 10 CCCE Nc1ccc(OCC(=O)OCC[C@H]2CCNC2=O)cc1 395959998 FOWWXXIKJSOZMF-SNVBAGLBSA-N 278.308 0.717 10 10 CCCE CNC(=O)[C@H]1CCN(c2ccc(CN)cc2C#N)C1 398488639 RDPWROHXPXWFRT-NSHDSACASA-N 258.325 0.589 10 10 CCCE [N-]=[N+]=NCC1CCN(C(=O)[C@H]2Cc3nncn3C2)CC1 2167732468 QMZSMWBHNZONOJ-JTQLQIEISA-N 275.316 0.999 10 10 CCCE C[C@]1(CO)COCCN1CC(=O)Nc1ccc(N)cc1 2169035544 CUUNWABCBUMJKR-AWEZNQCLSA-N 279.340 0.291 10 10 CCCE Cn1c(CN2CCC[C@H]2CN=[N+]=[N-])cc(=O)n(C)c1=O 2179615116 BSYIPDPUSPMSFF-VIFPVBQESA-N 278.316 0.359 10 10 CCCE C[C@@H](CO)N1CCN(c2c(F)cc(CO)cc2F)CC1 2169366394 LPHRZTREIZXILA-JTQLQIEISA-N 286.322 0.960 10 10 CCCE CN=c1ncc(C(=O)N(C)Cc2ccccc2O)c[nH]1 2192588499 AJRZONZXVFNDKY-UHFFFAOYSA-N 272.308 0.918 10 10 CCCE C[C@@H](c1ccccc1O)N(C)C(=O)N[C@@H](CO)C(=O)O 2192565893 CLXQWQBBAMVOJF-WPRPVWTQSA-N 282.296 0.540 10 10 CCCE O=C(N[C@H](C(=O)O)C1(O)CCC1)c1cccc(O)c1O 2188014662 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CN(C)c1ccc(CNC(=O)N(O)CC(=O)O)cc1 2107270438 PBDJOWZBQNWUEY-UHFFFAOYSA-N 267.285 0.738 10 10 CCCE NCc1ccc(N2CCOC[C@@H]2[C@@H](O)CO)c(Cl)c1 2090135869 KUYLSZHDMBMITP-OLZOCXBDSA-N 286.759 0.357 10 10 CCCE Nc1ccc(O)c(CN2CC(C(=O)NC3CC3)C2)c1 2111752778 IQHJDPFDJNJNHN-UHFFFAOYSA-N 261.325 0.685 10 10 CCCE CN1CCC(NCc2ccccc2O)(C(N)=O)CC1 2098245675 FXOQLWIDJDHHJF-UHFFFAOYSA-N 263.341 0.432 10 10 CCCE C[C@H](NC1CN(CC(=O)O)C1)c1cc(O)ccc1O 2113033354 NKDQBUYMXCTKST-QMMMGPOBSA-N 266.297 0.517 10 10 CCCE CCn1nnnc1CNCc1ccc(OC)cc1O 2113070360 UVBPSILKQHNDNK-UHFFFAOYSA-N 263.301 0.697 10 10 CCCE CCN[C@H](C)c1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CO)cc1 2201036438 TWQMBNGLRYSCGK-RABLLNBGSA-N 280.368 0.260 10 10 CCCE CN(Cc1ccc(N)cc1)C[C@H]1[C@@H]2CS(=O)(=O)C[C@H]12 2118016953 QNFHUYGJJWGMOZ-ZSOGYDGISA-N 280.393 0.991 10 10 CCCE CNCc1ccc(N2CCC[C@@H]2[C@@H](O)CO)cc1OC 2204542344 ZHIVSIIGGKUEAY-KGLIPLIRSA-N 280.368 0.737 10 10 CCCE CNCc1ccc(N2CC[C@@H](O)[C@](C)(O)C2)cc1OC 2204553569 LOVQBZQOSJHIQE-HUUCEWRRSA-N 280.368 0.737 10 10 CCCE COc1ccc(N2CCNC[C@H]2C(=O)N(C)C)cc1C 2206578581 NKEQFGBONKONPY-ZDUSSCGKSA-N 277.368 0.870 10 10 CCCE CCN1CCc2cc(N(CCO)CCO)ccc21 2219462262 PKFUJLYEOBCOFB-UHFFFAOYSA-N 250.342 0.860 10 10 CCCE CNCc1cc(OC)ccc1N1CCS(=O)CC1 2220407588 BADTXBNTQAKFRT-UHFFFAOYSA-N 268.382 0.983 10 10 CCCE COc1ccc(N2CC(NC(N)=O)C2)c(CN)c1 2220415016 OKVUWZKTLVDRDZ-UHFFFAOYSA-N 250.302 0.011 10 10 CCCE COc1ccc(N2CCC[C@H]2C(N)=O)c(CO)c1 2220431496 UFGNHHHDYSFGPN-LBPRGKRZSA-N 250.298 0.642 10 10 CCCE Nc1ccc(OCCC(=O)NCCN2CCCO2)cc1 2234114935 OWORTVXMWQMPJX-UHFFFAOYSA-N 279.340 0.791 10 10 CCCE CO[C@H]1[C@H](CO)N(c2ccc(CO)cc2)C[C@H]1OC 2225078894 ZYXROXQRFLMLJS-MJBXVCDLSA-N 267.325 0.390 10 10 CCCE COC[C@@H]1[C@@H](O)[C@@H](O)CN1c1ccc(CO)cc1Cl 2225516338 FGXCXASFSIJBAQ-FRRDWIJNSA-N 287.743 0.389 10 10 CCCE COc1ccc(N2CCS(=O)(=O)[C@@H](C)C2)c(CCN)c1 2235970435 PSQQEGKMXDLUCI-NSHDSACASA-N 298.408 0.820 10 10 CCCE COc1ccc(N2CCS(=O)(=O)[C@H](C)C2)c(CCN)c1 2235970434 PSQQEGKMXDLUCI-LLVKDONJSA-N 298.408 0.820 10 10 CCCE COc1ccc(N2C[C@]3(CO)C[C@@]3(CO)C2)c(CN)c1 2235973868 UZITZVYMMXZBFB-GJZGRUSLSA-N 278.352 0.335 10 10 CCCE COc1ccc(N2CC[C@H](N3CC(O)C3)C2)c(CO)c1 2236000801 BRKUHWRTFZFKNO-LBPRGKRZSA-N 278.352 0.443 10 10 CCCE COc1ccc(N2CCC(O)(CO)CC2)c(C=O)c1 2227688839 WDTKOBSZRZVABD-UHFFFAOYSA-N 265.309 0.831 10 10 CCCE Cc1cc([C@H](C)N)ccc1N1CC[C@@](O)(CO)[C@H](O)C1 2240757672 HZCHBEXCYILIKX-NILFDRSVSA-N 280.368 0.309 10 10 CCCE CSc1ncc(CNCC(=O)NC(N)=O)s1 2243773712 RCFZJTHUFVPSEQ-UHFFFAOYSA-N 260.344 0.150 10 10 CCCE CN(CCCN=[N+]=[N-])S(=O)(=O)CC1(C)COC1 2250050028 DJMPENLDUUQQPM-UHFFFAOYSA-N 262.335 0.985 10 10 CCCE Nc1ccc(CCC(=O)N2CC[C@@H]2[C@H](O)CO)cc1 2270710988 UMGHTUQQUMKXGH-CHWSQXEVSA-N 264.325 0.156 10 10 CCCE CC1(C)C(=O)NC[C@H]1NC(=O)c1ccc(O)c(O)c1 2266461747 RVWMSDBUYFNGAG-SNVBAGLBSA-N 264.281 0.352 10 10 CCCE CN[C@@H]1CCN(C(=O)NCCc2ccc(O)c(O)c2)C1 2285530162 UVVXRYMPPBHXRO-LLVKDONJSA-N 279.340 0.644 10 10 CCCE Cc1cncc([C@@](C)(NCCN=[N+]=[N-])C(=O)O)n1 2316032559 ZMUTXHCHYQCPCQ-SNVBAGLBSA-N 250.262 0.985 10 10 CCCE NCc1ccc(N2[C@H]3CC[C@@H]2C[C@@H](O)[C@H]3O)cc1F 2331972866 PETFXRGRCZUUAG-CABNGKKXSA-N 266.316 0.747 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC[C@H](CCO)C2)cc1 122887132 JZOPAGSWZJZMPI-LLVKDONJSA-N 284.381 0.803 10 10 CCCE O=C(NC(=O)C1CCNCC1)Nc1cc(O)c(O)c(O)c1 217278925 XZGKREMAKDFSSH-UHFFFAOYSA-N 295.295 0.451 10 10 CCCE NC(=O)[C@@H]1CCCN(C(=O)CCOc2ccc(N)cc2)C1 40293096 ZNPHLEAJWZLOJJ-LLVKDONJSA-N 291.351 0.762 10 10 CCCE CN(C)C(=O)COC(=O)COc1ccc(N)cc1 41093693 HFIMKHXFGZJHNZ-UHFFFAOYSA-N 252.270 0.279 10 10 CCCE CC(C)(N)CC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 84183778 RKTQAWVTQORYJJ-SECBINFHSA-N 296.323 0.337 10 10 CCCE CC(C)[C@@H]1C[C@](NCCN=[N+]=[N-])(C(N)=O)CCO1 90257711 CGSFGYMJEXHFKI-ONGXEEELSA-N 255.322 0.945 10 10 CCCE [N-]=[N+]=NC[C@@H](O)COC1=CC=C[C@H]2N=c3ccccc3=C12 604933945 FABPCNCKWOVXHG-ZWNOBZJWSA-N 282.303 0.981 10 10 CCCE N[C@H](CO)c1c(O)c(O)cc(F)c1Br 258489625 IASCTLRNNBFBHL-SCSAIBSYSA-N 266.066 0.992 10 10 CCCE Cc1ccc(C(=O)N2CC(=O)N(C)[C@@H](C)C2)c(O)c1O 282404546 PHPREDCRFGAKJS-VIFPVBQESA-N 278.308 0.709 10 10 CCCE CO[C@@H](C)[C@H](N)CC(=O)NCCc1ccc(O)c(O)c1 2165812083 LLRPLBZEAZCDBI-GXSJLCMTSA-N 282.340 0.509 10 10 CCCE CCOC(=O)C1(CC(=O)OCC(=O)C(C)=O)CCC1 808540562 XOWMHABKHJLGON-UHFFFAOYSA-N 270.281 0.811 10 10 CCCE CNC(=O)[C@@H]1CCCN1c1ccc2c(c1)NC(=O)[C@@H]2N 723185021 FYANGOGMNGMEBH-NWDGAFQWSA-N 274.324 0.353 10 10 CCCE Cc1ccc(C(=O)OC[C@@H]2COCCO2)c(O)c1O 837483287 BRXAYTSDMLRSOY-VIFPVBQESA-N 268.265 0.978 10 10 CCCE C[C@H](NC[C@H](O)CS(C)(=O)=O)c1ccc(F)cc1O 927026079 POHTUDMUXYLJAV-WPRPVWTQSA-N 291.344 0.587 10 10 CCCE OCCO[C@@]1(CNCc2ccc3c(c2)CCO3)CCOC1 850358213 KPNZIWWQAPPOIM-MRXNPFEDSA-N 293.363 0.879 10 10 CCCE C[C@H](O)[C@H](O)CNCc1cc(F)c(N(C)C)cc1F 864052855 QJWIQQCABMUALL-ISVAXAHUSA-N 274.311 0.862 10 10 CCCE CN[C@H]1CCN(c2cc3c(cc2N)OCC(=O)N3)C1 1876302033 BUFGQEATTCBZIO-QMMMGPOBSA-N 262.313 0.398 10 10 CCCE C[C@@H]1CN(c2cc3c(cc2N)OCC(=O)N3)CCN1 1876314724 FNCIHFJBOYDOGQ-MRVPVSSYSA-N 262.313 0.398 10 10 CCCE COC(=O)c1cccc(N)c1N[C@@H]1CCOC[C@H]1N 1876452855 DOAMJINGILTDGK-GHMZBOCLSA-N 265.313 0.584 10 10 CCCE C[C@H](NC(=O)C[C@H]1CNC[C@H]1O)c1ccccc1O 1877588743 XNSREYULVVJRBM-OUJBWJOFSA-N 264.325 0.540 10 10 CCCE COC(=O)C1CN(C(=O)Cc2ccc(O)c(O)c2)C1 1305292481 TXJJPJXXDRAXSH-UHFFFAOYSA-N 265.265 0.272 10 10 CCCE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CC[C@H](N=[N+]=[N-])C1 1885561694 VMBZQYXSRSHNEN-IUCAKERBSA-N 299.331 0.783 10 10 CCCE COCCNC(=O)CN(C)Cc1ccc(C)cc1O 1963481825 MMQGTTVVVNORJO-UHFFFAOYSA-N 266.341 0.895 10 10 CCCE CN1C[C@H](C(=O)N2CCC[C@H](N=[N+]=[N-])C2)CC1=O 701264050 LYXJREVFIDXQQN-BDAKNGLRSA-N 251.290 0.766 10 10 CCCE C[C@H](c1c(O)cccc1O)N1CC[C@](O)(C(=O)O)C1 1891194153 SGHOGCYPYLONNH-AMIZOPFISA-N 267.281 0.680 10 10 CCCE CN(C(=O)c1cc(O)nc(O)c1)[C@H]1CCC[C@H]1O 708580516 PUPVBMLIUBTKAA-DTWKUNHWSA-N 252.270 0.478 10 10 CCCE CN(c1c(F)cc(CO)cc1F)[C@H]1COC[C@@H]1O 708712339 ADBZPWSUFYDYCN-QWRGUYRKSA-N 259.252 0.653 10 10 CCCE O=C(NC[C@@H]1C[C@H](C(=O)O)CO1)c1cccc(O)c1O 713919607 MNNHJQURIPUZOX-YUMQZZPRSA-N 281.264 0.317 10 10 CCCE CNCc1ccc(N2C[C@@H](O)C[C@H]2CO)c(C)c1 698175021 ONBNSOZGRVLXJI-STQMWFEESA-N 250.342 0.646 10 10 CCCE CN1CCO[C@@H](CNS(=O)(=O)Cc2ccc(N)cc2)C1 91662524 QYXXPSNRUKMKFH-ZDUSSCGKSA-N 299.396 0.019 10 10 CCCE CC(=O)C(=O)[C@@]1(O)CCOC[C@H]1NC(=O)OC(C)(C)C 1919288858 XNKCYWNDZBIVTC-NOZJJQNGSA-N 287.312 0.189 10 10 CCCE CNC(=O)NCCCNCc1c(O)cccc1F 1964612137 RCDWCLICYLTRMJ-UHFFFAOYSA-N 255.293 0.940 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N3CC([S@@](C)=O)C3)cc21 2115313064 CRBLAPIGOGZRST-HXPMCKFVSA-N 279.365 0.230 10 10 CCCE COc1ccc(N2C[C@H]3C[C@H](O)[C@@H](O)[C@H]2C3)c(N)c1 2116703829 YEUMGNJYTSSYEO-NGSVMEPUSA-N 264.325 0.598 10 10 CCCE COc1cc(N)c(N2CCN(C)C(=O)C2)cc1OC 214232556 WDRYZCFSKAZDEQ-UHFFFAOYSA-N 265.313 0.564 10 10 CCCE C[C@H](O)[C@@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)CCO1 1556995683 KHZWDQUMYBAMLN-JXUOYEGUSA-N 293.319 0.719 10 10 CCCE CNCc1ccc(OCC(CO)(CO)CO)c(C)c1 2123279355 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CCNC(=O)CN(C)CCOc1ccc(N)cc1 49725793 YGPKKPSQECDMJV-UHFFFAOYSA-N 251.330 0.716 10 10 CCCE COc1cccc(CN2CCNC[C@H]2C(=O)N(C)C)c1O 89084069 KBLDTTJRVYDMNR-LBPRGKRZSA-N 293.367 0.263 10 10 CCCE CNC(=O)[C@@H]1CNCCN1Cc1ccc(N(C)C)cc1 89082524 HCXZERIPVBSNQK-AWEZNQCLSA-N 276.384 0.272 10 10 CCCE CN(C(=O)CN1C[C@@H]2CC[C@H](O)[C@H]2C1)c1ccc(N)cc1 252852168 GABKYUPNXCVQIL-CQDKDKBSSA-N 289.379 0.934 10 10 CCCE CN(C)c1ccc([C@H](O)C[C@H]2CS(=O)(=O)CCN2)cc1 2163064690 YEOADDLYKONDER-GXTWGEPZSA-N 298.408 0.563 10 10 CCCE CC(=O)C(=O)COC(=O)[C@H](C)OC[C@H]1CCCCO1 808508772 INMNDUBCLGBMKO-WDEREUQCSA-N 272.297 0.662 10 10 CCCE CC(=O)C(=O)COC(=O)C[C@H]1COc2ccccc2O1 837983253 CJLMKBGDZXQVTR-JTQLQIEISA-N 278.260 0.918 10 10 CCCE CS(=O)(=O)Nc1ccc(O)c(C(=O)NN2CCCC2)c1 839793785 QIFKMNKCXAMOFK-UHFFFAOYSA-N 299.352 0.504 10 10 CCCE COC[C@]1(CNC(=O)NCc2ccccc2O)CCCN1 841996240 VGSKBAQUOGDJRN-OAHLLOKOSA-N 293.367 0.960 10 10 CCCE NCCCOCCNC(=O)NCCc1ccc(N)cc1 861640457 LVPHSNJCKRCXEY-UHFFFAOYSA-N 280.372 0.476 10 10 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10 10 CCCE CN(C)CCCNC(=O)[C@@H](N)c1ccc(O)c(O)c1 83495172 ICOSKXDPNCAZPB-LBPRGKRZSA-N 267.329 0.166 10 10 CCCE N[C@@H](C(=O)NC[C@H]1CCCO1)c1ccc(O)cc1O 83483725 NITULKXMARCPGV-BXKDBHETSA-N 266.297 0.393 10 10 CCCE N[C@@H](c1nnc([C@H]2CCCN2)o1)c1cccc(O)c1O 83547332 OTVSACHNJROEQB-PSASIEDQSA-N 276.296 0.953 10 10 CCCE CC(=O)NCc1nnc([C@H](N)c2cccc(O)c2O)o1 83585074 DYIXHDQZEUXJKK-SNVBAGLBSA-N 278.268 0.165 10 10 CCCE Cc1cc(N2CC[C@H](NS(C)(=O)=O)C2)ccc1CO 702982969 CGTQUIHALMGGBA-LBPRGKRZSA-N 284.381 0.615 10 10 CCCE COc1ccc2c(c1)NC[C@@H]1CS(=O)(=O)CCN21 75210082 QPYCGVIMKFECKB-SECBINFHSA-N 268.338 0.724 10 10 CCCE NCCCCCCNC(=O)c1cc(O)nc(O)c1 698074123 AASFWZQHCLSLTF-UHFFFAOYSA-N 253.302 0.742 10 10 CCCE O=C1NCCn2c(CNCc3cc(F)ccc3O)nnc21 1332022471 YMHZVMFLNHGSQD-UHFFFAOYSA-N 291.286 0.156 10 10 CCCE NC(=O)[C@H]1CC[C@@H]1C(=O)NCc1ccc(O)cc1O 1469160374 RFAWYIXNBDPRAH-UWVGGRQHSA-N 264.281 0.226 10 10 CCCE O=C(O)c1cc(NS(=O)(=O)c2nc[nH]n2)ccc1O 2122587815 DZTJQGDNIRWKDS-UHFFFAOYSA-N 284.253 0.009 10 10 CCCE COC(=O)[C@H](NCCN=[N+]=[N-])c1cccn(C)c1=O 2121263754 QNDPQAXACKJWOD-SECBINFHSA-N 265.273 0.499 10 10 CCCE [N-]=[N+]=NCCN[C@]1(C(N)=O)CCOCC12CCC2 1912162565 XONKCRGWCZOFOO-NSHDSACASA-N 253.306 0.701 10 10 CCCE CC[C@@]1(NCc2ccc(N)cc2)CCC(=O)NC1=O 2126129668 UXOLGXZWFBOTST-CQSZACIVSA-N 261.325 0.944 10 10 CCCE CN(CCO)CCN(C)c1ccc2c(c1)CC[C@@H]2N 2128320632 FACPODAANRMNFE-HNNXBMFYSA-N 263.385 0.993 10 10 CCCE CN1CCN[C@H](c2nc(-c3ccc(O)c(O)c3)no2)C1 250389892 OXWLXIUDAHWFHQ-VIFPVBQESA-N 276.296 0.724 10 10 CCCE Nc1cc2c(cc1N1CCOCC13CC3)NC(=O)CO2 1915567155 IKVSTFFDOOBJRW-UHFFFAOYSA-N 275.308 0.969 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N3CC[C@](F)(CO)C3)ccc21 1917071243 IILNQVDXGKDUTM-TZMCWYRMSA-N 279.315 0.810 10 10 CCCE COc1cccc(O)c1CN1C[C@H](O)C[C@H]1C(=O)O 2136129215 NBUYSCRSYYKQNU-SCZZXKLOSA-N 267.281 0.421 10 10 CCCE C[C@@H](CC(=O)O)N(C)C(=O)c1cc(O)nc(O)c1 1925332845 HABMYJKGETWCMS-LURJTMIESA-N 254.242 0.428 10 10 CCCE N[C@@H](C[C@H]1CCCO1)C(=O)NCc1ccccc1O 1926565120 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CCCE CN(C)[C@H]1CN(c2cc3c(cc2N)OCCO3)C[C@@H]1O 2146153714 IOBUWOKVAKHCGI-RYUDHWBXSA-N 279.340 0.151 10 10 CCCE Cc1nc(CN(C)S(=O)(=O)Cc2ccc(N)cc2)no1 2151904612 KJIIWAXIPPDUKG-UHFFFAOYSA-N 296.352 0.922 10 10 CCCE CN1CCO[C@H]2CN(c3ccc(CN)c(F)c3F)C[C@@H]21 2153991363 PUANESGESXIVLR-RYUDHWBXSA-N 283.322 0.943 10 10 CCCE COc1ccc(O)c(CN[C@H]2COC[C@H]2CO)c1 2029843070 CJKMGBXTHKJGMB-PWSUYJOCSA-N 253.298 0.498 10 10 CCCE NC[C@H](CC1CC1)NC(=O)c1ccc(O)c(O)c1 2029954323 LKTSQGFHIDOFIS-JTQLQIEISA-N 250.298 0.955 10 10 CCCE CCCN(CCN)C(=O)Cc1ccc(O)c(O)c1 2030272717 LSJZIXWFQNCVKP-UHFFFAOYSA-N 252.314 0.838 10 10 CCCE CCOC[C@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)O 2157634695 PJQOOJCVCQNZKM-VIFPVBQESA-N 283.280 0.246 10 10 CCCE CN1CC[C@H](Oc2ccc(N3CCNCC3)cc2)C1=O 71183354 HLZFCVSRSCWTLB-AWEZNQCLSA-N 275.352 0.706 10 10 CCCE C[C@H](O)c1ccc(N2CC[C@H](N3CC(O)C3)C2)cc1O 2158744984 XJMFYABITWULIU-JQWIXIFHSA-N 278.352 0.701 10 10 CCCE NCc1cc(F)c(N2CC[C@H](N3CC(O)C3)C2)c(F)c1 2158751499 PKBOQYXIQWHBCI-JTQLQIEISA-N 283.322 0.679 10 10 CCCE Nc1ccc(OCC(=O)NC[C@@H](CO)C(F)(F)F)cc1 2161574934 IZBASTHOTUTLPZ-QMMMGPOBSA-N 292.257 0.935 10 10 CCCE Nc1ccc(O)c(CNC(=O)[C@@]23COC[C@@H]2C3(F)F)c1 2161771571 ZUHNIANMAOLLML-CMPLNLGQSA-N 284.262 0.872 10 10 CCCE COCCNC(=O)CCNCc1ccc(F)c(F)c1O 700764988 FIMQTXYWUBAUDC-UHFFFAOYSA-N 288.294 0.913 10 10 CCCE Nc1ccc(CCN2C[C@@H](CO)[C@H](CO)C2)cc1 704676533 QBJRIQMUTOSLQI-STQMWFEESA-N 250.342 0.344 10 10 CCCE CN(C(=O)CN1CCO[C@H](CF)C1)c1ccc(N)cc1 2172039302 AJYFAEHIRLOQFW-CYBMUJFWSA-N 281.331 0.902 10 10 CCCE C[C@H]1CCCN(C(=O)c2cc(O)nc(O)c2)[C@H]1CO 688719448 YQMQNDAONBYOCW-WPRPVWTQSA-N 266.297 0.726 10 10 CCCE NCc1ccc(N2CCC[C@](O)(C(N)=O)C2)c(F)c1F 380088132 KOXLCJGZNPKLMJ-CYBMUJFWSA-N 285.294 0.240 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC3CC2(CO)C3)cc1 694589588 TWCQPWZGXQXQDF-UHFFFAOYSA-N 282.365 0.555 10 10 CCCE COCC1(O)CN([C@H](C)C(=O)Nc2ccc(N)cc2)C1 384151979 PMFVBTGNNKDGPR-SNVBAGLBSA-N 279.340 0.289 10 10 CCCE C[C@H]1CN(CC(=O)c2ccc(O)c(O)c2)CC(=O)N1 386900186 LSFZKJXYDVEIOF-QMMMGPOBSA-N 264.281 0.101 10 10 CCCE Nc1ccc(CC(=O)N2CC[C@@H]3[C@H](C2)[C@@H]3C(=O)O)cc1 721711667 LSSXWBGPSHZFQK-MBNYWOFBSA-N 274.320 0.990 10 10 CCCE N#Cc1cc(CN)ccc1N1CC[C@H](O)[C@@H](CO)C1 396826451 BSZNJODCUSOREW-OCCSQVGLSA-N 261.325 0.196 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@H]2C[C@H](CO)[C@@H]3C[C@H]23)cc1 2166866285 POFYHIVDLZGKNX-VZZFWQQMSA-N 296.392 0.705 10 10 CCCE C[C@@]1(COC(=O)COc2ccc(N)cc2)COCCO1 2174175562 NAANEUCQHKHQCS-AWEZNQCLSA-N 281.308 0.996 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1C[C@@H]2OC[C@@H](CO)[C@@H]2C1 2178148442 UJKHZOAHWAQDST-NRUUGDAUSA-N 279.292 0.177 10 10 CCCE CN(Cc1cc(N)ccc1O)C[C@H]1[C@@H]2CS(=O)(=O)C[C@H]12 2174642202 YSVAMZWOXXALHT-XYYAHUGASA-N 296.392 0.697 10 10 CCCE CC1(C)OC[C@H](NC(=O)Cc2ccc(O)c(O)c2)[C@H]1O 2199439147 IYPXQJATVJOSSZ-TVQRCGJNSA-N 281.308 0.295 10 10 CCCE CN1C[C@H](N(C)c2ccc3c(c2)NC(=O)[C@H]3N)CC1=O 2188491603 NYMLTUOSUDVGLM-RNCFNFMXSA-N 274.324 0.305 10 10 CCCE C[C@H]1C[C@H](CNC(=O)c2cc(O)c(O)c(O)c2)CN1C 2188868126 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O=C(O)[C@@H]1[C@@H]2OCCN(C(=O)c3cccc(O)c3O)[C@@H]21 2149282723 YRTLKVROHPYBKK-NGZCFLSTSA-N 279.248 0.022 10 10 CCCE CC1(C)CNCCN(Cc2ccccc2O)S1(=O)=O 257960648 CUFXXMSGMRDZCV-UHFFFAOYSA-N 284.381 0.906 10 10 CCCE O=S(=O)(C[C@H]1CCCN1)Nc1ccc(O)cc1 258018729 PRAVMHLMDLFWFY-SNVBAGLBSA-N 256.327 0.886 10 10 CCCE CCOC(=O)C[C@@H](N)c1cc(C(=O)O)c(O)cc1O 260400180 WDKPYVYDYXSCIW-MRVPVSSYSA-N 269.253 0.749 10 10 CCCE CC1(OCC(=O)O)CN(C(=O)Cc2ccc(N)cc2)C1 161511879 STKBSAQXKDWKGM-UHFFFAOYSA-N 278.308 0.513 10 10 CCCE CN(C(=O)CN1C[C@@H](O)C2(CC2)C1)c1ccc(N)cc1 2149756799 JTFOZSFESXNCPH-CYBMUJFWSA-N 275.352 0.688 10 10 CCCE C[C@H](c1ccccc1O)N(C)C(=O)[C@@H](N)CC(N)=O 37826582 XNPFSUVVTPGBFF-SCZZXKLOSA-N 265.313 0.114 10 10 CCCE CN(CC(=O)N1CCNCC1)Cc1cc(Cl)ccc1O 38030936 UOCXDZNIESSMDQ-UHFFFAOYSA-N 297.786 0.909 10 10 CCCE Nc1cc2c(cc1N1CCO[C@H](CO)C1)OCCO2 167757026 OFQNKTFFUUGIEI-VIFPVBQESA-N 266.297 0.238 10 10 CCCE CN(C)c1ccc([C@@H](CN)N(C)C2CS(=O)(=O)C2)cc1 2152233399 GWNAWQIJBZZEGZ-CQSZACIVSA-N 297.424 0.481 10 10 CCCE Nc1ccc(CS(=O)(=O)NCCC(=O)O)cc1 2016998108 BGOXCHKXHYFONK-UHFFFAOYSA-N 258.299 0.163 10 10 CCCE Nc1cc2c(cc1N1CCCC[C@H]1CO)NC(=O)CO2 48857553 UDWRXDVLWKVMNC-VIFPVBQESA-N 277.324 0.951 10 10 CCCE Nc1cc2c(cc1N1C[C@H](F)[C@H](O)C1)OCCO2 2031873509 VFIMHOPGLQTEAN-OIBJUYFYSA-N 254.261 0.559 10 10 CCCE CSC[C@H](NC(=O)c1cc(O)nc(O)c1)C(=O)O 2040041183 FEIGBERMSBMEBI-LURJTMIESA-N 272.282 0.039 10 10 CCCE Cn1nccc1CNS(=O)(=O)Cc1ccc(N)cc1 71333124 YHDFGALCLNRTNV-UHFFFAOYSA-N 280.353 0.622 10 10 CCCE Nc1ccc(CCC(=O)NCC[C@@]2(O)CCOC2)cc1 404159285 AIGCSGQXUDPAML-OAHLLOKOSA-N 278.352 0.859 10 10 CCCE CC[S@@](N)(=O)=N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 404525780 SFGZAVCMPBZWSC-RLBGWGEZSA-N 288.325 0.455 10 10 CCCE O=C1NC[C@@H]2CN(C(=O)c3cccc(O)c3O)CC[C@@H]12 2157182920 CTQSSGLWJOKDCJ-RKDXNWHRSA-N 276.292 0.306 10 10 CCCE CCNCc1ccc(N2CC[C@@](O)(C(N)=O)C2)c(Cl)c1 312414615 GIFJCWYKARYFAL-AWEZNQCLSA-N 297.786 0.876 10 10 CCCE COC[C@@]1(NC(=O)Cc2ccc(O)c(O)c2)CCNC1 2157561343 YWTIWXXFDKGJJF-CQSZACIVSA-N 280.324 0.135 10 10 CCCE CO[C@@H]1CS(=O)(=O)C[C@@H]1N(C)Cc1c(C)cccc1O 2160771424 YWCSPXUNFDPNGJ-GXTWGEPZSA-N 299.392 0.944 10 10 CCCE C[C@@H](O)c1ccc(N2CC3(CNC(=O)N3C)C2)cc1O 2177690607 YXGGVYKAWLLEMF-SECBINFHSA-N 277.324 0.659 10 10 CCCE CN(C)c1ccc([C@]2(C)NC(C)(C)C(=O)NC2=O)cc1 380526381 JRJRHFKITSRCJQ-HNNXBMFYSA-N 275.352 0.992 10 10 CCCE Cn1cncc1CNC(=O)COc1ccc(N)cc1 384529697 JVZRAWBLJAWCDX-UHFFFAOYSA-N 260.297 0.698 10 10 CCCE CC[C@H](O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 386758209 HXYBIVLHRFZNAC-MIMYLULJSA-N 282.340 0.243 10 10 CCCE Nc1ccc(CS(=O)(=O)NCc2ccc(O)nc2)cc1 392630697 JGQZBEUPGQUMCN-UHFFFAOYSA-N 293.348 0.989 10 10 CCCE CN[C@H](C)c1ccc(N(C)[C@@H](C)C(N)=O)cc1O 723183553 UYNSABLPMXVYBY-BDAKNGLRSA-N 251.330 0.983 10 10 CCCE C[C@H](C[S@](C)=O)N(C)C(=O)COc1ccc(N)cc1 399079975 KYPFSVPYXKDQIF-DGIBIBHMSA-N 284.381 0.873 10 10 CCCE C[C@@H](O)c1ccc(N2CCN(C[C@H](O)CO)CC2)cc1 2178034733 IYSXXAJCCVBVCP-DOMZBBRYSA-N 280.368 0.215 10 10 CCCE CC(=O)N1CCC[C@H]1C(=O)NCc1c(O)cccc1O 2063901970 QYVKDNHKHRHJCP-NSHDSACASA-N 278.308 0.725 10 10 CCCE O=C(O)C[C@H]1CN(C(=O)c2cccc(O)c2O)C[C@@H]1O 2174360739 VXQUPHLACFDUCB-XVKPBYJWSA-N 281.264 0.005 10 10 CCCE O=C(O)C[C@H]1CN(Cc2cc(F)cc(F)c2O)C[C@@H]1O 2174355509 OMJHVOBATLMZFR-CPCISQLKSA-N 287.262 0.938 10 10 CCCE CN(Cc1ccc(F)c(F)c1O)[C@H]1CCNC1=O 876814391 FTRFGSFNXVHCMJ-VIFPVBQESA-N 256.252 0.991 10 10 CCCE CO[C@H](CNC(=O)N(C)Cc1ccccc1O)C(=O)O 2192602989 BTZIANAPKIXCBS-LLVKDONJSA-N 282.296 0.633 10 10 CCCE C[C@H](N=c1[nH]c(N(C)C)nc(=N)[nH]1)c1ccccc1O 2192626530 QKUPBPIAVOHCRF-QMMMGPOBSA-N 274.328 0.651 10 10 CCCE C[C@@H](NC(=O)Cn1cccnc1=O)c1ccccc1O 2192618117 QYCMCXYJXOFBOF-SNVBAGLBSA-N 273.292 0.826 10 10 CCCE CN(C)C(=O)CCN(C)c1ccc2c(c1)NC(=O)[C@H]2N 2188484827 LUNPKXZXRKMLRI-ZDUSSCGKSA-N 276.340 0.553 10 10 CCCE CN(C)[C@H]1CN(c2ccc(CO)c([N+](=O)[O-])c2)C[C@H]1O 2188574567 BGNBOBRNTPFTIP-QWHCGFSZSA-N 281.312 0.198 10 10 CCCE C[C@@H]1[C@@H](O)CN1C(=O)c1ccn(-c2ccc(N)cc2)n1 2182524820 WVVJXHVAQYZDJJ-RNCFNFMXSA-N 272.308 0.660 10 10 CCCE N[C@@H]1CCc2cc(N3CC4(CNS(=O)(=O)C4)C3)ccc21 2184724103 VGSVKNVNBXOJDA-CYBMUJFWSA-N 293.392 0.372 10 10 CCCE CCN(c1ccc(CN)cc1F)[C@H]1CCNC1=O 2051531702 QUVFYGOEVJFDKR-LBPRGKRZSA-N 251.305 0.999 10 10 CCCE C[C@H](O)c1ccc(N2CC(=O)N3CCOC[C@@H]3C2)cc1 2185857244 DDFGCELFTXBOPV-FZMZJTMJSA-N 276.336 0.787 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@H]2CC[C@H]1C[C@@H]2O 2191476192 BLRAPCLDQATBCB-JEZHCXPESA-N 279.292 0.789 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC[C@@H]2[C@H](O)C[C@H]21 2057964642 BVZRHJWKJIHCSA-DJLDLDEBSA-N 250.254 0.088 10 10 CCCE N[C@@H]1CN(Cc2ccc(O)cc2O)CC[C@@H]1CO 2058510655 UKSCKVUHABMEND-ZYHUDNBSSA-N 252.314 0.239 10 10 CCCE COCCOC[C@@H](O)CN1CCC[C@@H]1CN=[N+]=[N-] 2059054387 WQBFOJPUXKTBRN-MNOVXSKESA-N 258.322 0.785 10 10 CCCE CS(=O)(=O)C1CN(c2ccc3c(c2)CC[C@@H]3N)C1 2065082614 BSMXJKNFRBDFLV-ZDUSSCGKSA-N 266.366 0.866 10 10 CCCE C[C@@H](c1ccccc1O)N(C)C(=O)[C@@H](CN)CO 2067738851 CBRAUPWZNKCBDX-UWVGGRQHSA-N 252.314 0.479 10 10 CCCE NC[C@@H]1C[C@@H]1CNS(=O)(=O)Cc1ccc(N)cc1 2071662656 UHYLVTBEWIABDS-WDEREUQCSA-N 269.370 0.283 10 10 CCCE Nc1cccc(C(=O)O)c1N[C@@H]1CCNC[C@H]1O 2071717096 BGMNVJZKJUAOMC-NXEZZACHSA-N 251.286 0.102 10 10 CCCE Nc1ccc(OCC(=O)N2C[C@H]3CC[C@]3(CO)C2)cc1 2198854716 ZPHHNQGNOGNBOI-IAQYHMDHSA-N 276.336 0.879 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CC[C@H]2C[C@H]1[C@H](O)[C@H]2O 2199428998 MHLWROOHYULCDD-MNNHZPJKSA-N 279.292 0.054 10 10 CCCE COc1cccc(CN2C[C@H](N)[C@@H]3COC[C@H]32)c1O 2102140448 IKFPWSJNSSVOOA-SDDRHHMPSA-N 264.325 0.559 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1C[C@H](C(=O)O)C1 2087725605 XNBHKEKATYEJQJ-KYZUINATSA-N 265.265 0.620 10 10 CCCE CN(Cc1ccc(N)cc1)C[C@H]1CCS(=O)(=O)N1C 2088667091 ZIGIQPHFAXSILT-CYBMUJFWSA-N 283.397 0.735 10 10 CCCE C[C@@H](O)c1ccc(N2CC(OCC(N)=O)C2)cc1O 2089139463 LHECNUSHLDQSFM-MRVPVSSYSA-N 266.297 0.136 10 10 CCCE C[C@@H]1CN(Cc2ccc(O)cc2O)[C@@H](C(=O)O)CO1 2109525300 NTXGAPMVLNLOGF-LDYMZIIASA-N 267.281 0.772 10 10 CCCE NC[C@@H](O)CCc1nc(-c2ccc(O)c(O)c2)no1 2110227664 SKYZFOPTNGQUNF-QMMMGPOBSA-N 265.269 0.400 10 10 CCCE Oc1ccc(CNC[C@@H]2Cc3nncn3C2)cc1O 2111425412 YDASAVHIGMIMMJ-JTQLQIEISA-N 260.297 0.651 10 10 CCCE COc1ccc(CN[C@@H]2CN(C)C[C@@H]2OC)c(O)c1 2095432776 CIZDUHNIROXTPX-OCCSQVGLSA-N 266.341 0.819 10 10 CCCE Cc1cccc(CNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1O 2204609272 GQACBLICWLLLBM-LLVKDONJSA-N 298.364 0.687 10 10 CCCE COc1ccc(N2C[C@@H]3CS(=O)(=O)C[C@H]3C2)c(C=O)c1 2236001822 AAAYIMMPKKMMKF-VXGBXAGGSA-N 295.360 0.989 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3C[C@@H](O)C[C@@H](F)C3)ccc21 2226282650 BXIIEZWMXXOIPQ-VFWDIBGWSA-N 265.288 0.548 10 10 CCCE NC(=O)c1cccc(N)c1N[C@@H]1CCn2cnnc2C1 2236547698 NIQXDBGDXIQHGO-MRVPVSSYSA-N 272.312 0.386 10 10 CCCE CC(C)Oc1ccc(N2CC[C@](O)(C(N)=O)C2)cc1 2226760915 ZDKRMMXRKJQZSV-CQSZACIVSA-N 264.325 0.900 10 10 CCCE COc1ccc(N2CC[C@@H](O)[C@@H](CO)C2)c(CN)c1 2227671743 BPUPZJBQFNYUOD-BXUZGUMPSA-N 266.341 0.333 10 10 CCCE COc1ccc(N2CC(NC(C)=O)C2)c(C(=O)O)c1 2227672377 JUXWLRUPEXPUQY-UHFFFAOYSA-N 264.281 0.718 10 10 CCCE COc1ccc(N2C[C@@H](O)C[C@]2(C)CO)c(CO)c1 2227709228 RGPKHKIOPAKCNR-SMDDNHRTSA-N 267.325 0.510 10 10 CCCE COc1ccc(N2CCNC(=O)C23CC3)c(CO)c1 2227710470 FYKIJFIFQMKZAR-UHFFFAOYSA-N 262.309 0.656 10 10 CCCE COc1ccc(N2C[C@H](N(C)C)[C@H](O)C2)c(CO)c1 2227710064 BAPYYEMQWXLIOE-UONOGXRCSA-N 266.341 0.299 10 10 CCCE Nc1ccc(O)c(CN2C[C@@H]3OCCC[C@@]3(CO)C2)c1 2238827571 RVOGJGYUDCCGSK-GJZGRUSLSA-N 278.352 0.948 10 10 CCCE Nc1ccc(OCC(=O)NC[C@]2(F)CCOC2)cc1 2229926896 MNPDMCGYUVPCBD-CYBMUJFWSA-N 268.288 0.892 10 10 CCCE NCc1cc(F)c(N2CC[C@@H]2[C@@H](O)CO)c(F)c1 2258335582 UREBQMIERUUCJS-MNOVXSKESA-N 258.268 0.355 10 10 CCCE CSc1ncc(CNC(=O)N(O)CC(=O)O)s1 2248616150 JHIUXOADWZUFSH-UHFFFAOYSA-N 277.327 0.850 10 10 CCCE NC(=O)C[C@@H]1CCCN1C(=O)COc1ccc(N)cc1 2285542603 CAUXMVVBSOFKEG-NSHDSACASA-N 277.324 0.514 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1C[C@H]2OCC[C@@]2(CO)C1 2296360956 ONGSBDPLGGOTAS-OCCSQVGLSA-N 279.292 0.321 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N3C[C@@H]4C[C@H](C3)[C@@H]4O)ccc21 2286235172 KJXATZROVDYDCQ-VQSQSKOLSA-N 273.336 0.716 10 10 CCCE CCNCc1ccc(N2CC[C@@H]2[C@H](O)CO)cc1OC 2286220175 OEIKGCVHRMIGPZ-ZIAGYGMSSA-N 280.368 0.737 10 10 CCCE CCN(CCN=[N+]=[N-])S(=O)(=O)C[C@H]1CCC1=O 2300529581 CHJKBDIVQRHQEH-MRVPVSSYSA-N 260.319 0.928 10 10 CCCE OCc1ccc(N2C[C@@H](O)[C@@H]3COC[C@@H]32)c(F)c1 2308659502 ODSIPMDREKLVIS-JIMOISOXSA-N 253.273 0.514 10 10 CCCE C[C@H](CN)CC(=O)N1CCc2cc(O)c(O)cc2C1 2341155126 QONHYKODVJWOHJ-VIFPVBQESA-N 264.325 0.967 10 10 CCCE CO[C@H]1CNC[C@](O)(c2ccc3c(c2)CCN3C)C1 2344507168 GTFYXLDRXPLHOE-HIFRSBDPSA-N 262.353 0.875 10 10 CCCE CN1CCc2cc(CNCC[C@@H](O)CCO)ccc21 2351739728 LBHVIMRFRDWPFA-CQSZACIVSA-N 264.369 0.902 10 10 CCCE CSc1cc(N2C[C@H](O)[C@@H](O)[C@@H]2CF)ccc1CN 2353851610 MTKRLYDTMURQGA-GVXVVHGQSA-N 286.372 0.747 10 10 CCCE C[C@H](O)c1ccc(N2C[C@H]3C[C@H](O)[C@@H](O)[C@@H]2C3)cc1O 2355340562 PVWHEEIGGWFBFI-APCDSCHDSA-N 279.336 0.766 10 10 CCCE CC(C)N(CCO)S(=O)(=O)Cc1ccc(N)cc1 36131114 XEZCKRYWSCPJEK-UHFFFAOYSA-N 272.370 0.801 10 10 CCCE Oc1ccccc1CNC[C@@H](O)COc1cnsn1 228415326 SUUMGESVQBXAAK-SNVBAGLBSA-N 281.337 0.773 10 10 CCCE COc1cccc(CNC(=O)c2cncnc2N)c1O 192344238 ZSFVYEBJSYTQRI-UHFFFAOYSA-N 274.280 0.703 10 10 CCCE NC[C@@H](N)c1cc(I)ccc1O 95780778 YHJHLNFCBRSMQQ-SSDOTTSWSA-N 278.093 0.955 10 10 CCCE N[C@@H](CO)c1cc(C(=O)O)cc(Br)c1O 95712971 XEIZVXOJAAMKKG-ZETCQYMHSA-N 276.086 0.845 10 10 CCCE COc1cccc(C[C@@H](O)C(=O)OCC(=O)C(C)=O)c1 808540077 MSNWYUUMZXRMJD-GFCCVEGCSA-N 280.276 0.300 10 10 CCCE COC(=O)Cc1cccc(C(=O)OCC(=O)C(C)=O)c1 808538771 FUJBRXITHKWRIQ-UHFFFAOYSA-N 278.260 0.717 10 10 CCCE CC(=O)C(=O)COC(=O)C[C@@H]1C(=O)Nc2ccccc21 808508665 KPVYDBLZTXMACD-JTQLQIEISA-N 275.260 0.814 10 10 CCCE C[C@H](c1cc(O)ccc1O)N1CCC(O)(CN)CC1 397032461 MAIIJKNIAFZZEU-SNVBAGLBSA-N 266.341 0.944 10 10 CCCE NC(=O)NC1CN(c2ccc(C=CC(=O)O)cc2F)C1 2163220639 XNMAKUMUPVRVCH-UHFFFAOYSA-N 279.271 0.780 10 10 CCCE CC(=O)C(=O)COC(=O)C[C@H](O)Cc1ccccc1 811397852 FFSUTSMWRLJTNI-GFCCVEGCSA-N 264.277 0.681 10 10 CCCE C[C@@H]1C(=O)N(C)CN1Cc1cc2c(cc1O)OC[C@@H]2O 842646510 HWYAYFTUPHNOHV-PELKAZGASA-N 278.308 0.438 10 10 CCCE Cn1nccc1[C@H](CO)NC(=O)c1cc(O)cs1 854913351 USEGGTQHYKQHQW-QMMMGPOBSA-N 267.310 0.651 10 10 CCCE C[C@H](N)[C@@H]1CN(C(=O)Nc2ccc(N)cc2)CCO1 1876152701 JNNXIGLSXSNINY-CABZTGNLSA-N 264.329 0.849 10 10 CCCE NOCCNC(=O)c1ccn(-c2ccc(N)cc2)n1 1876526358 ZYXZBOFRZOQHEK-UHFFFAOYSA-N 261.285 0.075 10 10 CCCE COc1ccc(N2CCO[C@H]3CCNC[C@H]32)c(N)c1 1876549483 QZDBJLPLUJGMMM-KGLIPLIRSA-N 263.341 0.845 10 10 CCCE Cn1cnc(/C=C/C(=O)N2CC(=O)Nc3cnccc32)c1 1126529194 FHRXYPIAJZWZSO-NSCUHMNNSA-N 283.291 0.814 10 10 CCCE C[C@H](NC(=O)CN1CC[C@H](N)C1)c1ccccc1O 1877589128 ZEKCVWMWTWXQCC-QWRGUYRKSA-N 263.341 0.602 10 10 CCCE Cc1cccc(O)c1CNCCN(C)CCOCCO 895663432 XTUYVHPZEYZEHS-UHFFFAOYSA-N 282.384 0.731 10 10 CCCE Nc1ccc(CCC(=O)NC[C@H]2CCNC2=O)cc1 1887154059 SATRXSWVCQQUFD-LLVKDONJSA-N 261.325 0.454 10 10 CCCE O=c1ccc([C@H]2NCCc3c2cc(O)c(O)c3O)n[nH]1 75819480 YTTGHZKTAUUDFP-NSHDSACASA-N 275.264 0.122 10 10 CCCE C[C@H]1[C@@H](O)CCN1C(=O)Cc1ccc(O)c(O)c1 1569140528 YLXYYZFKMZNVIV-WPRPVWTQSA-N 251.282 0.622 10 10 CCCE COCCS(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1 274785080 LIOIVDJPSKPIJH-UHFFFAOYSA-N 276.270 0.689 10 10 CCCE C[C@H](O)[C@@H](O)CNCc1cc(Br)ccc1O 717376443 ROAXNPQAEDFQSX-CPCISQLKSA-N 290.157 0.986 10 10 CCCE CN(C(=O)CN1CC(F)(CO)C1)c1ccc(N)cc1 2116282321 DMBUDERUSWUAIO-UHFFFAOYSA-N 267.304 0.248 10 10 CCCE CNCc1ccc(N2CC(N(C)C3COC3)C2)cc1 2116485080 XTORJYVYXZKGKW-UHFFFAOYSA-N 261.369 0.925 10 10 CCCE CN(C)c1ccc([C@@H]2C[C@@H](O)[C@H](C(=O)O)CN2)cc1 211531749 KNCZPFPODDIBHL-FRRDWIJNSA-N 264.325 0.849 10 10 CCCE O=[N+]([O-])c1nonc1N=[N+]([O-])c1nonc1[N+](=O)[O-] 255992451 OLGYTWRNRYNZMU-UHFFFAOYSA-N 272.093 0.195 10 10 CCCE [N-]=[N+]=NCCCCN1CCCN(C[C@@H](O)CO)CC1 2121618974 GTWDCQURHFCMIP-GFCCVEGCSA-N 271.365 0.438 10 10 CCCE CN(C)c1ccc(CN2CC[C@@H](CO)[C@H](N)C2)cc1 2122333162 CIEXEYBVPQNREZ-DZGCQCFKSA-N 263.385 0.894 10 10 CCCE COc1cc(N(C)C[C@H](O)CN)cc(OC)c1OC 2125499728 KPOFZUQTSICHOE-SNVBAGLBSA-N 270.329 0.468 10 10 CCCE COC(=O)NC(=O)CN1CCC[C@@H](CN=[N+]=[N-])C1 1912168925 YABBLNFXEKUGJU-QMMMGPOBSA-N 255.278 0.891 10 10 CCCE C[C@@](NCCCN=[N+]=[N-])(C(N)=O)C1CCOCC1 1912165238 IICFXAKSOJPHKU-NSHDSACASA-N 255.322 0.947 10 10 CCCE NCc1ccc(N2C[C@@H]3C[C@H](C2)[C@@H](O)[C@@H]3O)c(Cl)c1 2126162748 VNPOWPBGFWYAFW-RDBQEKCUSA-N 282.771 0.977 10 10 CCCE NCc1ccc(N2C[C@@H]3C[C@H](C2)[C@H](O)[C@H]3O)cc1F 2126161251 HTETZAWAKLXYQZ-DJBIQUGXSA-N 266.316 0.462 10 10 CCCE CN(CCCN=[N+]=[N-])CC(=O)NC[C@@H]1CCCO1 1912210828 OGFCYPQVSGNRSY-JTQLQIEISA-N 255.322 0.914 10 10 CCCE N[C@H]1CN(C(=O)c2cc(O)nc(O)c2)CC(F)(F)C1 2127779000 KSCMKTWURTYGKR-SSDOTTSWSA-N 273.239 0.301 10 10 CCCE OC[C@@H]1CN(c2ccc3c(c2)CC[C@@H]3O)CC[C@@H]1O 2128317538 PYFKAXSCEHWNSF-CQDKDKBSSA-N 263.337 0.846 10 10 CCCE O=C(NC1(CCO)CCC1)c1cc(O)c(O)c(O)c1 2132349033 XEQLCFVNKOMGPR-UHFFFAOYSA-N 267.281 0.838 10 10 CCCE NC1(C2CN(C(=O)c3cc(O)c(O)c(O)c3)C2)CC1 2132412140 ANTSUAOHYOYRAI-UHFFFAOYSA-N 264.281 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COc1cccc(CN[C@H](C(N)=O)C2CC2)c1O 2035304882 YVOMELCIWQNXNX-NSHDSACASA-N 250.298 0.754 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1C[C@@H]1C(=O)O 2039781585 OUNQBHBZYZRGBC-JGVFFNPUSA-N 251.238 0.230 10 10 CCCE O=C(NCC[C@]1(O)CCOC1)c1cccc(O)c1O 403300296 YEOLWZHGUKYFJR-ZDUSSCGKSA-N 267.281 0.369 10 10 CCCE O=C(N[C@@H]1CCC[C@@H](CO)C1)c1cc(O)nc(O)c1 311382544 YBAZOWVIOJCWGY-PSASIEDQSA-N 266.297 0.774 10 10 CCCE COc1ccc(N2CCN([C@@H](CN)CO)CC2)cc1 76372472 UOBNMTIVKBMHNO-ZDUSSCGKSA-N 265.357 0.137 10 10 CCCE CNCc1cc(F)c(N2C[C@H](O)[C@H]3COC[C@H]32)c(F)c1 2158391808 GXKYDYHPSCMUQU-BIMULSAOSA-N 284.306 0.880 10 10 CCCE OC[C@@]1(CNCc2ccc(O)c(O)c2)CCCOC1 700949289 AVKOSRDDODDQOJ-AWEZNQCLSA-N 267.325 0.977 10 10 CCCE C[C@@]1(CO)C[C@H](O)CN1c1c(F)cc(CN)cc1F 704659440 LJWRMRXEANMAPK-ZANVPECISA-N 272.295 0.746 10 10 CCCE Nc1ccc(NC(=O)N[C@@H]2CCOC[C@@H]2O)cc1 707056028 BPEBPDZAWUDHID-MNOVXSKESA-N 251.286 0.540 10 10 CCCE CN(Cc1ncnn1C)c1ccc2c(c1)NC(=O)[C@@H]2O 707652653 YNNKMTODRJQAHM-GFCCVEGCSA-N 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253.298 0.993 10 10 CCCE O=c1nc(CNCc2cc3c(cc2O)OCO3)[nH]o1 2116166182 WFRRBZFDFJETPP-UHFFFAOYSA-N 265.225 0.087 10 10 CCCE CN(C)CCOC(=O)[C@H](N)Cc1ccc(O)c(O)c1 2119223289 IIGMXCPNZVKWPE-SNVBAGLBSA-N 268.313 0.072 10 10 CCCE OC[C@@H]1CNCCCN1c1ccc2c(c1)OCO2 214570140 CDMOWFMVBSNXAV-NSHDSACASA-N 250.298 0.576 10 10 CCCE COc1cc(N)c(N2CCC[C@@H](C(N)=O)C2)cc1OC 213417436 BAHZOIPVCWUZJT-SECBINFHSA-N 279.340 0.988 10 10 CCCE [N-]=[N+]=NCCN[C@]1(C(N)=O)CO[C@@]2(CCCOC2)C1 2122414059 JKBOEHGFZYBBMX-QWRGUYRKSA-N 269.305 0.080 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN1CC(=O)NC(=O)NC1CC1 2123021017 RKJKPVBTQHHYSB-SECBINFHSA-N 266.305 0.749 10 10 CCCE COC[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@@H](C)O1 1567731067 HYOGVVDGNYUASV-ZYHUDNBSSA-N 295.335 0.903 10 10 CCCE CN(C)c1ccc(CN2CCC(O)(C(N)=O)CC2)cc1 1645613631 BEZBXWXIEUDOGN-UHFFFAOYSA-N 277.368 0.565 10 10 CCCE COC(=O)c1nsc(=NCCc2ccc(N)cc2)[nH]1 2125895700 BNNQURRDMCGMOG-UHFFFAOYSA-N 278.337 0.983 10 10 CCCE C[C@@H]1C[C@H](CO)CN1C(=O)c1cccc(O)c1O 1964967565 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NC(=O)CCCCNC(=O)CCc1ccc(N)cc1 230025584 CEEWOIIRCUELEJ-UHFFFAOYSA-N 263.341 0.973 10 10 CCCE CNC(=O)[C@]1(C)CCN(C(=O)c2ccc(O)c(O)c2)C1 230902272 HSMGCIWLFPSKGG-CQSZACIVSA-N 278.308 0.696 10 10 CCCE CC(C)CNC(=O)CCNC(=O)c1ccc(O)c(O)c1 232620651 KNVPADRIKPQCDW-UHFFFAOYSA-N 280.324 0.990 10 10 CCCE Cc1nn(C)cc1CNS(=O)(=O)Cc1ccc(N)cc1 125451788 HKMRQYBFLUGLNK-UHFFFAOYSA-N 294.380 0.930 10 10 CCCE CCOC(=O)CO[C@H](N)Cc1ccc(O)c(O)c1 1951426250 RSSIXNCKTBZVGU-NSHDSACASA-N 255.270 0.505 10 10 CCCE CCOC(=O)[C@@H](OC)[C@@H](N)Cc1ccc(O)c(O)c1 1951834433 SYTWSEINEVCESE-CABZTGNLSA-N 269.297 0.546 10 10 CCCE CN1CCCN(c2ccc3c(c2)N(C)C(=O)[C@@H]3N)CC1 131342070 FUARLOVRAIOGSH-CQSZACIVSA-N 274.368 0.805 10 10 CCCE Nc1ccc(NC(=O)N2CC[C@H](CS(N)(=O)=O)C2)cc1 2144395739 QZPLZONLASYSLU-VIFPVBQESA-N 298.368 0.411 10 10 CCCE O=C(NC[C@@H](C(=O)O)C(F)(F)F)c1cc(O)nc(O)c1 2144320608 SAEMYJSMLZCYPR-YFKPBYRVSA-N 294.185 0.486 10 10 CCCE NC(=O)[C@@H]1CCCN(CC(=O)c2ccc(O)c(O)c2)C1 35048099 IPNIBEQFMQWGLL-SNVBAGLBSA-N 278.308 0.478 10 10 CCCE NC(=O)[C@@H]1CCCCN1C(=O)Cc1ccc(N)cc1 37799401 WCQQAQJZEDTRFV-LBPRGKRZSA-N 261.325 0.678 10 10 CCCE Cc1nnn(C)c1CNCc1cc2c(cc1O)OCO2 2152383988 CFFWLSVYRWAULS-UHFFFAOYSA-N 276.296 0.848 10 10 CCCE C[C@H](N)c1ccc(N2C[C@H]3OCCN(C)[C@@H]3C2)cc1O 2153996313 ULMCOVGSPHBJFN-PSOPSSQASA-N 277.368 0.931 10 10 CCCE NCC1CCS(=O)(=NC(=O)c2cc(O)nc(O)c2)CC1 2156490738 ZTARUQFGLJIJIX-UHFFFAOYSA-N 299.352 0.470 10 10 CCCE O=C(O)[C@]12COC[C@H]1CN(Cc1ccc(O)c(O)c1)C2 2160983164 RBUSKKSBINUUGH-QMTHXVAHSA-N 279.292 0.631 10 10 CCCE CC1(C)CN(c2ccc(CN)c(F)c2)CC(=O)N1 2033062349 FACORLUFAQZLBV-UHFFFAOYSA-N 251.305 0.999 10 10 CCCE CC(C)(O)COCCNCc1cccc(O)c1O 2037813955 YLFPNOJGOABBTE-UHFFFAOYSA-N 255.314 0.975 10 10 CCCE CN(C)[C@@H]1CC[C@H]1NCc1ccc(O)c(O)c1O 2039959037 CQIQWIPWGVZKEV-NXEZZACHSA-N 252.314 0.986 10 10 CCCE CN1C(=O)CN[C@@H]1c1cc(O)cc(Br)c1O 309568678 NACOVAJLTVKLLW-JTQLQIEISA-N 287.113 0.921 10 10 CCCE CCN(CCOCCO)C(=O)Cc1ccc(N)cc1 311638618 OTYHTSUIFKRNBS-UHFFFAOYSA-N 266.341 0.669 10 10 CCCE COC(=O)[C@H](O)COC(=O)CCOc1ccc(N)cc1 313092823 MUIHZWLONNXGKC-LLVKDONJSA-N 283.280 0.115 10 10 CCCE CCNCc1ccc(N2CC[C@@](O)(CO)C2)cc1 314022077 RVFQHPXTEAUCNW-AWEZNQCLSA-N 250.342 0.730 10 10 CCCE O=C1Nc2cc(N3CC(N4CC(F)C4)C3)ccc2[C@@H]1O 2159017982 PIQIFXYNPBFDSS-ZDUSSCGKSA-N 277.299 0.514 10 10 CCCE C[C@@H](O)c1ccc(N2CC(NS(C)(=O)=O)C2)cc1O 703004735 AMERIPTXLZQUEL-MRVPVSSYSA-N 286.353 0.183 10 10 CCCE CN1C(=O)[C@@H](O)c2ccc(N3C[C@@H]4C[C@H](C3)C4O)cc21 2172928775 RBMNSELBYHBVGS-QFJGNNLQSA-N 274.320 0.513 10 10 CCCE C[C@H]1CCCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1CO 688719447 YQMQNDAONBYOCW-WCBMZHEXSA-N 266.297 0.726 10 10 CCCE CN1CC[C@@H](N(C)c2ccc(CO)cc2F)C1=O 690133503 XKABKWGGQPFFED-GFCCVEGCSA-N 252.289 0.985 10 10 CCCE N[C@H]1C[C@@H]2CN(Cc3ccc(Cl)cc3O)CCN2C1=O 2173418272 LOYKKBNMZKVNOW-NEPJUHHUSA-N 295.770 0.789 10 10 CCCE CN(C[C@H](O)CN1CCOCC1)c1ccc(N)cc1 389281677 KWIVJBGNYRYABU-AWEZNQCLSA-N 265.357 0.398 10 10 CCCE CC[C@H](CN(CC(N)=O)Cc1ccc(N)cc1)OC 397053690 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256.262 0.289 10 10 CCCE CNC(=O)NC(=O)[C@H](C)N1CCC[C@@H]1CN=[N+]=[N-] 2059060126 URYRZZKLAVJEHA-JGVFFNPUSA-N 254.294 0.605 10 10 CCCE CC1(C)[C@@H](O)[C@@H](O)CN1c1ccc(CN)cc1F 2060876948 YFFQYUFEPPHZNG-RYUDHWBXSA-N 254.305 0.605 10 10 CCCE Nc1ccc(NC(=O)NC[C@@H]2CCNC(=O)C2)cc1 2105276771 FJFCZUJAIDRYTD-SECBINFHSA-N 262.313 0.917 10 10 CCCE Oc1ccc(CN[C@@H]2CCn3ncnc3C2)c(O)c1 2108915694 RUMZFDNDQPRSTP-SNVBAGLBSA-N 260.297 0.794 10 10 CCCE CN1CCCc2cc(N3C[C@@H](O)C[C@@H](N)C3)ccc21 2111816401 QWMPZNSVCZJYNN-OCCSQVGLSA-N 261.369 0.967 10 10 CCCE CC(C)(O)C1CN(c2ccc3c(c2)NC(=O)[C@H]3N)C1 2095961307 OJMXJFDZKNIMPD-LBPRGKRZSA-N 261.325 0.846 10 10 CCCE COc1ccc(N2CC[C@H](O)[C@](C)(O)C2)c([N+](=O)[O-])c1 2201531453 YJYWTWBFXOCFGJ-QWHCGFSZSA-N 282.296 0.925 10 10 CCCE CCNC(=O)NC(=O)[C@H](C)N1CCC[C@H]1CN=[N+]=[N-] 2123013537 AEEPEMCKFRDUFB-IUCAKERBSA-N 268.321 0.995 10 10 CCCE Cn1ncc(Sc2ncc(C(N)=O)s2)c1C(=O)O 2218530805 HKZYWHUXVMBLTN-UHFFFAOYSA-N 284.322 0.825 10 10 CCCE Cc1nn[nH]c1CCNC(=O)c1ccc(O)c(O)c1 2226268342 XKGXBCMMWWIQSZ-UHFFFAOYSA-N 262.269 0.497 10 10 CCCE Nc1ccc(CC(=O)N[C@H]2CCn3cnnc3C2)cc1 2236570336 ZDYKZNAFLIWXBJ-LBPRGKRZSA-N 271.324 0.534 10 10 CCCE CSc1ncc(CNC(=O)[C@H]2C[C@@H](O)CCN2)s1 2257084854 NAKSVHGORUKPMI-IONNQARKSA-N 287.410 0.594 10 10 CCCE O=C1NC[C@H]2CCCN(C(=O)c3cccc(O)c3O)[C@H]12 2279280889 OTNBFGLEZCPUMW-KCJUWKMLSA-N 276.292 0.448 10 10 CCCE CCN(CC)CCNC=C1C(=O)NC(=S)N(CC)C1=O 2296088635 ISNLOVOCUQNICY-UHFFFAOYSA-N 298.412 0.065 10 10 CCCE COc1cc(OC)c(N2CC[C@@H]2[C@H](O)CO)cc1OC 2289445159 BYYLFNYXZUQZIC-MWLCHTKSSA-N 283.324 0.644 10 10 CCCE O=C(c1cccc(O)c1O)N1CCOC[C@H](F)C1 2315067265 JXTRGOXFBFDNTB-MRVPVSSYSA-N 255.245 0.908 10 10 CCCE OCc1cc(F)c(N2C[C@@H]3C[C@H]2[C@H](O)[C@H](O)C3)c(F)c1 2355340995 WNGZHFKZFKSPQA-BLTWLEHQSA-N 285.290 0.778 10 10 CCCE CC1(C)CN(C(=O)c2cccc(O)c2O)CCN1 126089332 KYPQWQRIODGYAR-UHFFFAOYSA-N 250.298 0.922 10 10 CCCE Nc1ccc(NC(=O)CCCN2CCNC(=O)CC2)cc1 62099695 AJEGHIHKWHRJLC-UHFFFAOYSA-N 290.367 0.809 10 10 CCCE C[C@@H]1C[C@H]1NS(=O)(=O)CCOc1ccc(N)cc1 70490844 LWMXSBQHNXRBGO-BXKDBHETSA-N 270.354 0.975 10 10 CCCE CCN[C@@H]1C(=O)Nc2cc(N3CCCNC(=O)C3)ccc21 87884480 RWBJAQYQHNCPLC-AWEZNQCLSA-N 288.351 0.616 10 10 CCCE CC[C@@](C)(CO)NS(=O)(=O)Cc1ccc(N)cc1 80885761 WKOZGIHTFGRFHR-LBPRGKRZSA-N 272.370 0.849 10 10 CCCE C[C@H](c1ccc(O)cc1O)N1CCNC(=O)[C@@H]1CC(=O)O 86815591 KJFZBZPQLLUFSW-KCJUWKMLSA-N 294.307 0.434 10 10 CCCE C[C@H]1CN(C(=O)c2ccc(O)c(O)c2)C[C@H]1C(=O)O 235651798 VSLPDKAKMJISHP-IONNQARKSA-N 265.265 0.891 10 10 CCCE CN[C@@H](C)c1ccc(N2C[C@H](O)[C@H](O)C2)cc1O 234458631 VUTXQEZQYLVAAD-AQUOVQTQSA-N 252.314 0.214 10 10 CCCE CC(=O)C(=O)COC(=O)c1cc2ccccc2c(=O)n1C 808550483 LZHKAQKEOJXCBI-UHFFFAOYSA-N 287.271 0.853 10 10 CCCE O=C(NC[C@@H]1C[C@H](C(=O)O)CO1)c1ccc(O)c(O)c1 713916195 AGLYJEIDXJLOAG-IUCAKERBSA-N 281.264 0.317 10 10 CCCE CN(C)C[C@]1(O)CCN(CCc2ccc(N)cc2)C1 713671154 LROHDIVTRREYTR-OAHLLOKOSA-N 263.385 0.810 10 10 CCCE C[C@@H](CC(=O)N(C)Cc1ccccc1O)NC(N)=O 847569632 GJUBFINGXARJEQ-VIFPVBQESA-N 265.313 0.798 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1C[C@H]2C[C@@]2(CO)C1 1296560315 UTOBDBCEZSHNGQ-YGRLFVJLSA-N 263.293 0.481 10 10 CCCE C[C@@H]1OCC[C@@H]1S(=O)(=O)NCc1ccc(O)cc1O 867417203 NWCYKJUZILFUJP-UFBFGSQYSA-N 287.337 0.695 10 10 CCCE Nc1cc2c(cc1N1C[C@@H]3C[C@]3(N)C1)CCC(=O)N2 1876217435 KCYLRWFHQBGAMJ-XPTSAGLGSA-N 258.325 0.691 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@H]2C[C@H]3CNC[C@H]32)cc1 1876453166 IEXZXVRBVVHNLR-CYZMBNFOSA-N 281.381 0.296 10 10 CCCE Nc1ccc(OCCC(=O)N2CCN[C@H]3C[C@@H]32)cc1 1876483785 ODSHOXJCXMRZPC-STQMWFEESA-N 261.325 0.610 10 10 CCCE OC[C@@]12C[C@@H]1CN(Cc1cc3c(cc1O)OCO3)C2 783739568 GBMSJENVKCMWQF-YGRLFVJLSA-N 263.293 0.935 10 10 CCCE CC1(C)[C@@H](O)C[C@]1(N)C(=O)NCc1ccccc1O 1879088426 WJAZIQHVJAIZPL-FZMZJTMJSA-N 264.325 0.497 10 10 CCCE CC(=O)C(=O)[C@H](O)[C@@H]1CCCN1C(=O)OC(C)(C)C 1881417643 LJHWCYYIXQTWMS-GXSJLCMTSA-N 271.313 0.905 10 10 CCCE CO[C@H]1[C@H](OC(C)=O)O[C@@H](C)[C@H](N=[N+]=[N-])[C@H]1OC(C)=O 1775955081 ODLASXVOYXIJIR-WXXZGKGSSA-N 287.272 0.920 10 10 CCCE in-vitro Nc1ccc(OC[C@H](O)CN2[C@@H]3COC[C@H]2C3)cc1 1899635131 MZRVKPVWMDDABC-FRRDWIJNSA-N 264.325 0.482 10 10 CCCE CSc1ncc(CNC2=NC[C@@H](O)CN2)s1 2243843699 FJQARLXNIJGUPV-UHFFFAOYSA-N 258.372 0.275 10 10 CCCE CCOc1cccc([C@H](N)C(=O)NC[C@H](C)O)c1O 83497386 DQRHRCVYABWCCZ-KWQFWETISA-N 268.313 0.288 10 10 CCCE COc1cccc([C@@H](C(=O)O)N2C(=O)CCC2=O)c1O 83587859 KOVSBYOGWMEBQM-NSHDSACASA-N 279.248 0.676 10 10 CCCE COCCNCc1ccc(N2CCN(C)C(=O)C2)cc1 84205944 CSJOCZZHBUCVFA-UHFFFAOYSA-N 277.368 0.701 10 10 CCCE CN1CC[C@H](C(=O)NCCOc2ccc(N)cc2)C1 63130387 AOBHYVIALYPQDF-NSHDSACASA-N 263.341 0.716 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1C[C@H]1C1CC1 717031043 TVUKONJDNDESRA-SDDRHHMPSA-N 276.336 0.882 10 10 CCCE CN(C(=O)c1c[nH]nc1[C@@H]1CCNC1)c1cnn(C)c1 1330591530 JZWUYHQFRKBGAJ-SECBINFHSA-N 274.328 0.497 10 10 CCCE O=C(NOCCO)c1cc2cc(O)c(O)cc2s1 1296720224 LAKJSHKSCNSDFP-UHFFFAOYSA-N 269.278 0.966 10 10 CCCE Nc1cc(=NCc2ccccc2O)nc2nc[nH]n12 2117204352 RHNFEPFDPAEOLV-UHFFFAOYSA-N 256.269 0.446 10 10 CCCE C[C@@H](c1ccccc1O)N(C)C(=O)c1nn[nH]c1N 2117485126 TYTLHCMCLUISTO-ZETCQYMHSA-N 261.285 0.926 10 10 CCCE Oc1cccc(F)c1CN[C@@]12CC[C@@H](C1)[C@H](O)[C@H]2O 2120520128 JGTMALYIUBSCMI-IOEYQFCTSA-N 267.300 0.895 10 10 CCCE CNC[C@@H]1CN(C(C)=O)C[C@@H]1c1cccc(O)c1O 1614636529 YCYCYLRPTREMMY-PWSUYJOCSA-N 264.325 0.879 10 10 CCCE OCc1ccc(N2C[C@@H]3OC[C@H](CO)[C@@H]3C2)c(F)c1 2121593800 RMOMSAHFAWOFDA-MJVIPROJSA-N 267.300 0.762 10 10 CCCE NC(=O)N[C@@H]1CCN(c2ccc3c(c2)CC[C@@H]3O)C1 2128322960 ULWPFLSTNYCMBM-MFKMUULPSA-N 261.325 0.913 10 10 CCCE COc1ccc(N2C[C@H](O)[C@H](O)CC2(C)C)c(N)c1 2132139115 XZUUTNBRAVOXIO-OLZOCXBDSA-N 266.341 0.988 10 10 CCCE CCN[C@H](c1ccccc1O)[C@@H](O)c1ncn(C)n1 2134181336 MRZRADLOMZQCPK-VXGBXAGGSA-N 262.313 0.905 10 10 CCCE CCN[C@H](CC)c1ccc(N2CC(O)(C(N)=O)C2)cc1 1915248710 KTKWESPKBBHQHP-CYBMUJFWSA-N 277.368 0.784 10 10 CCCE CCCN(c1ccc(N)cc1)S(=O)(=O)N1CC[C@@H](O)C1 1914161906 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2146586718 YQABFNITUIQCBE-QMMMGPOBSA-N 280.280 0.820 10 10 CCCE O=C1CN(C(=O)Cc2ccc(O)c(O)c2)[C@H]2CC[C@H]2N1 1972880809 NJZLCUYXCHOSCC-ZJUUUORDSA-N 276.292 0.130 10 10 CCCE CON(C)C1CN([C@@H](C)C(=O)Nc2ccc(N)cc2)C1 2144632163 QTDWXUSNXHMVGN-JTQLQIEISA-N 278.356 0.773 10 10 CCCE Nc1cc2c(cc1N1CCC[C@@H](CO)C1)NC(=O)CO2 36227049 BREMNZOQPIJIIM-SECBINFHSA-N 277.324 0.808 10 10 CCCE C[C@]1(NC(=O)[C@@H](N)Cc2ccc(O)c(O)c2)CCOC1 161813444 YRIZAGMCRCGYFA-HZMBPMFUSA-N 280.324 0.263 10 10 CCCE Nc1ccc(OCCN2C[C@H](CO)[C@@H](CCO)C2)cc1 2149906990 CECFHMNAXFGYRB-QWHCGFSZSA-N 280.368 0.570 10 10 CCCE CCN1CCO[C@H](CNCc2ccc(O)c(O)c2)C1 165905436 JUHGJLGCWJAEEC-GFCCVEGCSA-N 266.341 0.908 10 10 CCCE C[C@@](N)(C(=O)C(=O)C[C@H]1C[C@H](N)C1)C(F)(F)F 2003172395 KLJYCTCJGUHSTJ-HCVRKRLWSA-N 252.236 0.532 10 10 CCCE CN(CCN=[N+]=[N-])CC1(O)CCS(=O)(=O)CC1 2003646939 OMBNDRPKZMKCMD-UHFFFAOYSA-N 262.335 0.168 10 10 CCCE CN1CCO[C@@H]2CN(c3ccc(CN)c(F)c3F)C[C@H]21 2153991367 PUANESGESXIVLR-VXGBXAGGSA-N 283.322 0.943 10 10 CCCE C[C@H]([C@H](N)c1ccc2c(c1)CCN2C)S(=O)(=O)N(C)C 2154698536 ARRLHKWXJFGATR-YGRLFVJLSA-N 297.424 0.959 10 10 CCCE Cn1cc(S(=O)(=O)NCc2cc(N)ccc2O)cn1 50252733 SIVFCIHWOHOTBG-UHFFFAOYSA-N 282.325 0.186 10 10 CCCE OC[C@H]1CO[C@H](CNCc2ccc(O)cc2O)C1 2039813599 MDIILGRGOZHAFN-CABZTGNLSA-N 253.298 0.585 10 10 CCCE CC1(O)CC(NC(=O)Cc2ccc(O)c(O)c2)C1 2040940681 HLMLOHSUVAZUNY-UHFFFAOYSA-N 251.282 0.670 10 10 CCCE O=C1CN[C@H](c2cc(O)cc(Br)c2O)N1 308949761 UOEPRMBZGNACNB-VIFPVBQESA-N 273.086 0.578 10 10 CCCE Nc1ccc(OCCS(=O)(=O)CC(=O)NC2CC2)cc1 312209657 NZVPULHIEMUBBO-UHFFFAOYSA-N 298.364 0.341 10 10 CCCE Nc1ccc(CCC(=O)N2CC[C@](O)(CO)C2)cc1 313667644 RMRKDYXYOAETGM-CQSZACIVSA-N 264.325 0.157 10 10 CCCE COc1cc(N)c(N2C[C@@H](O)[C@H](CO)C2)cc1OC 316581036 VYPPQMYMKMWRRW-GZMMTYOYSA-N 268.313 0.075 10 10 CCCE CN(C)C[C@H]1CCN1c1ccc2c(c1)N(C)C(=O)[C@@H]2N 2160883751 XJJGNEMURFYWKK-BXUZGUMPSA-N 274.368 0.803 10 10 CCCE COC(=O)CCCNC(=O)CN(C)c1ccc(N)cc1 702072018 WHGQDLMAHGPRTI-UHFFFAOYSA-N 279.340 0.774 10 10 CCCE CN1CCN(C(=O)Cc2ccc(N)cc2)C[C@@H]1C(=O)O 686101940 WBXOXCJEBVTTQY-GFCCVEGCSA-N 277.324 0.039 10 10 CCCE C[C@@]1(C(=O)NCc2ccccc2O)CNCCO1 710822151 NWZVIWMKRHFUDH-ZDUSSCGKSA-N 250.298 0.387 10 10 CCCE CN1CCN(C(=O)c2ccc(O)c(O)c2)[C@H](C(N)=S)C1 690059332 ZDISYGOHLDVOHV-VIFPVBQESA-N 295.364 0.140 10 10 CCCE NC[C@H]1C[C@@H](C(=O)NCc2ccccc2O)CO1 713797385 VFHYIHFUFNQPGV-GHMZBOCLSA-N 250.298 0.372 10 10 CCCE CN[C@H](C)c1ccc(N2CC(O)(COC)C2)cc1O 384137472 MOMHJQXQTVGCFP-SNVBAGLBSA-N 266.341 0.870 10 10 CCCE CCC1(O)CN(c2ccc3c(c2)N(C)C(=O)[C@H]3N)C1 384116302 IJYYWGDUZVWEET-LBPRGKRZSA-N 261.325 0.624 10 10 CCCE CN[C@@H]1CCOC[C@@H]1NC(=O)c1ccc(O)c(O)c1 717198697 NDVUPAMRGMFDAT-ZJUUUORDSA-N 266.297 0.205 10 10 CCCE CC[C@@H](NC(=O)COc1ccc(N)cc1)[C@H](C)O 387105662 GHXIPBQTRKVCAK-JOYOIKCWSA-N 252.314 0.923 10 10 CCCE CN(Cc1ccccc1O)C(=O)c1cnc(CN)n1C 2179590008 FFVHIQQOVLIOET-UHFFFAOYSA-N 274.324 0.857 10 10 CCCE O=C(O)[C@@H]1Cn2cnnc2CN1Cc1ccccc1O 818630200 WOZIQEFFMKXXGN-JTQLQIEISA-N 274.280 0.453 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CCNC[C@H]1F 2164572885 BMUVCIVKFSIYMI-GHMZBOCLSA-N 282.315 0.704 10 10 CCCE O=C1CN(c2ccc(CO)c([N+](=O)[O-])c2)[C@@H]2CC[C@H]2N1 2188572289 PIGQHLPRLKXFDF-GHMZBOCLSA-N 277.280 0.554 10 10 CCCE CN(C)[C@H]1[C@@H]2CN(C(=O)c3cc(O)c(O)c(O)c3)C[C@@H]21 2188873976 BTPXTEGOFQZPFN-GDGBQDQQSA-N 278.308 0.435 10 10 CCCE COc1cc(C(=O)N[C@@H]2CCNC(=O)C2)cc(OC)n1 2186331032 UIDVQMRQCXWCCP-SECBINFHSA-N 279.296 0.107 10 10 CCCE CNC[C@H]1CN(c2cc3c(cc2N)OCCO3)CCO1 2191564836 UGZSTGOVOTXXKB-JTQLQIEISA-N 279.340 0.465 10 10 CCCE COc1ccc(N2CCNC[C@@]2(C)CO)cc1OC 2106575483 ZENVVPWDHITQPN-AWEZNQCLSA-N 266.341 0.864 10 10 CCCE CNCc1ccc(N2CCC2(CO)CO)c(C)c1 2073921141 OILAWCHGAMAGRR-UHFFFAOYSA-N 250.342 0.648 10 10 CCCE Nc1ccc(CCC(=O)N2CCOCCO2)cc1 2077881687 SXNJJMXHVDLLRK-UHFFFAOYSA-N 250.298 0.992 10 10 CCCE Nc1ccc(CCC(=O)NC[C@]2(O)CCCNC2)cc1 2201298761 JZVCQYRPYMSISQ-HNNXBMFYSA-N 277.368 0.432 10 10 CCCE COc1cc(N2CCN(OC)CC2)ccc1CO 2084014412 RYIVROMCCAZJFJ-UHFFFAOYSA-N 252.314 0.871 10 10 CCCE CCNCc1ccc(N2C[C@@H](O)C[C@@H](O)C2)c(F)c1 2105071449 ACYLOQBEJVDWFJ-TXEJJXNPSA-N 268.332 0.867 10 10 CCCE COc1ccc(N2CC[C@](N)(C(=O)O)C2)cc1C 2085634647 GRWKRCCZGSGPGF-CYBMUJFWSA-N 250.298 0.996 10 10 CCCE c1cc2c(cc1N1CCO[C@@H]3CNC[C@H]31)COCC2 2106363857 BMBGCKCNWUXKNX-HUUCEWRRSA-N 260.337 0.936 10 10 CCCE CN(C)c1ccc([C@@H](N)[C@@H](O)c2cnn(C)n2)cc1 2106860520 SSYQSCFHVYBJQW-OLZOCXBDSA-N 261.329 0.615 10 10 CCCE CS(=O)(=O)C[C@H](NN)c1ccc(N2CCCC2)cc1 2106864923 ZUPXDLAJPVCJNY-ZDUSSCGKSA-N 283.397 0.836 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@H]2CC[C@H](CO)C2)cc1 2090019962 YEIQGMRMNBGLMV-WCQYABFASA-N 284.381 0.849 10 10 CCCE CNCc1ccc(N(C)CCN(C)S(C)(=O)=O)cc1 2090797025 MREJLIKNFNXFNG-UHFFFAOYSA-N 285.413 0.734 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)[C@H]1CSCCN1 2091751439 BJRSRKFGNYGULO-SNVBAGLBSA-N 282.365 0.462 10 10 CCCE OCC[C@@]1(CO)CCN(c2ccc(CO)cc2F)C1 2097024983 PRQFSBCGAQQZNJ-AWEZNQCLSA-N 269.316 0.889 10 10 CCCE CNC(=O)COc1ccc(CNCCOC)cc1C 2098788393 NXVUNOBOZVCZAS-UHFFFAOYSA-N 266.341 0.856 10 10 CCCE O=S(=O)(NCCc1ccc(O)c(O)c1)[C@@H]1CC1(F)F 2112528851 PRPHPGXGCDFZDY-SNVBAGLBSA-N 293.291 0.967 10 10 CCCE Oc1ccc(CNCc2nnnn2C2CC2)cc1O 2113070091 PUWLBIQWHFSASD-UHFFFAOYSA-N 261.285 0.709 10 10 CCCE C[C@@H](c1ccc(O)cc1O)N1CC(=O)NC[C@@H]1C(=O)O 2201034721 ADPQZTFETOZVAI-OIBJUYFYSA-N 280.280 0.044 10 10 CCCE N=c1nnc(OC[C@@H]2C[C@@H]2C2CCOCC2)n[nH]1 2219022114 UCQOFQOUCXHCHF-DTWKUNHWSA-N 251.290 0.121 10 10 CCCE NC(=O)C1(NC(=O)COc2ccc(N)cc2)CCC1 2231951288 FGIUCIATVLGIPQ-UHFFFAOYSA-N 263.297 0.172 10 10 CCCE CS(=O)(=O)N1CC(CNCc2cccc(O)c2O)C1 2224815061 WYCOXSOCJWPFOB-UHFFFAOYSA-N 286.353 0.079 10 10 CCCE COc1ccc(N2CCN3C(=O)NC[C@@H]3C2)c(CN)c1 2235965970 LNHSTJLSWMLGFZ-LLVKDONJSA-N 276.340 0.368 10 10 CCCE NCc1ccc(N2CCN(C3(C(N)=O)CC3)CC2)cc1 2236911720 BAXDTCSVIODNOV-UHFFFAOYSA-N 274.368 0.285 10 10 CCCE NCCc1n[nH]cc1C(=O)N1CCc2cccnc21 2227027173 RWNIUCKJZTVPQF-UHFFFAOYSA-N 257.297 0.509 10 10 CCCE COc1ccc(O)c(CNC2CC(O)(CO)C2)c1 2256976417 PLSZAKQZVCLYSV-UHFFFAOYSA-N 253.298 0.376 10 10 CCCE O=C(NCCS(=O)(=O)C1CC1)c1ccc(O)c(O)c1 2274371571 LTOUBIOTAGGASG-UHFFFAOYSA-N 285.321 0.405 10 10 CCCE C[C@H](c1cc(O)ccc1O)N(CCN)CCN(C)C 2265835240 DZXLJMPXRIJHBI-LLVKDONJSA-N 267.373 0.981 10 10 CCCE CS(=O)(=O)[C@H]1C[C@H](C(=O)N2CC[C@H](CN=[N+]=[N-])C2)C1 2269869128 JSYMAOLLCOMPOC-OPRDCNLKSA-N 286.357 0.968 10 10 CCCE CSc1ncc(CNC[C@H](N)CS(C)(=O)=O)s1 2299067953 OERJMYWNCPPEHR-ZETCQYMHSA-N 295.455 0.327 10 10 CCCE CN(N[C@H]1CCc2cccc(O)c21)S(C)(=O)=O 2301557186 WJUVCHMKJZBBRM-VIFPVBQESA-N 256.327 0.776 10 10 CCCE Nc1ccc(N2CCN(CC(=O)NC3CC3)C2=O)cc1 54404978 FGXNIAOKYVJZFP-UHFFFAOYSA-N 274.324 0.789 10 10 CCCE CC[C@@H](O)c1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)cc1 2332914637 AAAJWXPJCBSTJJ-DGAVXFQQSA-N 267.325 0.033 10 10 CCCE C[C@H](c1c(O)cccc1O)N1C[C@@H]2CS(=O)(=O)[C@H]2C1 2336547834 DCFRCVRXQCLKAK-LNLATYFQSA-N 283.349 0.888 10 10 CCCE O=C1CCN(C(=O)c2cccc(O)c2O)CCN1 126399850 YDZMAJDRRIJTFI-UHFFFAOYSA-N 250.254 0.060 10 10 CCCE CN(CCOCCO)CCOc1ccc(N)cc1 306039776 RQVKPTLYGDJATM-UHFFFAOYSA-N 254.330 0.588 10 10 CCCE C[C@H](C(=O)O)[C@@H](C)NC(=O)c1cccc(O)c1O 126084343 SLOBHIVFSOXFON-NKWVEPMBSA-N 253.254 0.937 10 10 CCCE CC[C@H]1CNCC[C@]1(NCCCN=[N+]=[N-])C(N)=O 229764825 DXOOCWGYMRXQGI-GXSJLCMTSA-N 254.338 0.520 10 10 CCCE Nc1ccc(OCCS(=O)(=O)NCC(F)F)cc1 136562472 ZECGHKPKZUQVBJ-UHFFFAOYSA-N 280.296 0.832 10 10 CCCE O=C(NCc1ccc(N2CCOCC2)c(F)c1)OCCO 147627352 KTMIEZNSKHXPBO-UHFFFAOYSA-N 298.314 0.881 10 10 CCCE N[C@@H](Cc1c(O)c(O)cc(Br)c1F)C(=O)O 258709568 YZWMNIGPXUGYSD-YFKPBYRVSA-N 294.076 0.954 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@@H]1COC(=O)N1 283476784 PRDGKVWJNQLERP-VIFPVBQESA-N 250.254 0.459 10 10 CCCE CC(=O)C(=O)COC(=O)c1ccccc1-n1ccnn1 808536786 VXZGSZKQBFILRJ-UHFFFAOYSA-N 273.248 0.582 10 10 CCCE COc1ccc(O)c(CN2CCC(CO)(CO)C2)c1 827474896 NXNLXCWZUNSTTD-UHFFFAOYSA-N 267.325 0.578 10 10 CCCE CN(C(=O)c1cccc(O)c1O)C1(CN)CCOCC1 725022579 GIJKIPCUIPTXAT-UHFFFAOYSA-N 280.324 0.678 10 10 CCCE Nc1ccc(CC(=O)NC[C@@H]2C[C@@H]3COC[C@@H]3O2)cc1 724600078 OMBKAXGZTHJHQK-XBFCOCLRSA-N 276.336 0.731 10 10 CCCE Cn1c([C@@H]2CCCN2)cc(=O)n2nc(-c3cnccn3)cc12 71468355 ZZJKJIGICDRHAN-JTQLQIEISA-N 296.334 0.915 10 10 CCCE C[C@H](NS(=O)(=O)N(C)CC(=O)O)c1ccccc1O 1877574032 RKSHZIFJIKDYFN-QMMMGPOBSA-N 288.325 0.304 10 10 CCCE CCOC(=O)[C@@H](NCCCN=[N+]=[N-])c1cn(C)nn1 388696255 VBXLEOUHQCTBSH-VIFPVBQESA-N 267.293 0.709 10 10 CCCE C[C@@H](NCCc1nnn[nH]1)c1ccc(F)cc1O 95230127 OPWHUEBCVDECQO-SSDOTTSWSA-N 251.265 0.938 10 10 CCCE CO[C@@H]1CS(=O)(=O)C[C@H]1Nc1c(N)cccc1F 711271568 CMABQJKJGPPSIY-NXEZZACHSA-N 274.317 0.632 10 10 CCCE C[C@H](C(=O)Nc1ccc(N)cc1)N1CCCNC(=O)C1 87883043 WCCJIWJGHHWIEQ-SNVBAGLBSA-N 276.340 0.418 10 10 CCCE C[C@@H]1CN(c2ccc3c(c2)NC(=O)[C@H]3N)CC[S@]1=O 2115329597 SRPHHATTYRLIAN-HBMUXGDJSA-N 279.365 0.596 10 10 CCCE CO[C@H]1CCS(=O)(=O)N(CCc2ccc(N)cc2)C1 2117151407 RYLGNIUUKSKPBA-ZDUSSCGKSA-N 284.381 0.862 10 10 CCCE COC(=O)[C@H](CCF)NC(=O)Cc1ccc(O)c(O)c1 1640692334 MZOMIQHWOQONRQ-VIFPVBQESA-N 285.271 0.658 10 10 CCCE CN(Cc1nc[nH]n1)C(=O)Cc1ccc(O)c(O)c1 1626208118 JIHZGKASVOEBPO-UHFFFAOYSA-N 262.269 0.417 10 10 CCCE CO[C@@]1(C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)CCOC1 1912168525 VBPATPDABQJNHC-ONGXEEELSA-N 254.290 0.951 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCN(CC(=O)N2CCOC2=O)C1 1912171862 ALTGBTZDPZUVNH-QMMMGPOBSA-N 253.262 0.597 10 10 CCCE [N-]=[N+]=NC1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 1912170534 YICAWPCSRQTPCX-UHFFFAOYSA-N 251.206 0.312 10 10 CCCE O=C(NC[C@@H]1C[C@H](CO)CO1)c1cccc(O)c1O 1965520437 IEGLANSZLWBWDR-BDAKNGLRSA-N 267.281 0.225 10 10 CCCE C[C@H](O)C[C@H]1COCCN1Cc1cc(N)ccc1O 2128860387 UDKFBPFLNSGDQE-GWCFXTLKSA-N 266.341 0.946 10 10 CCCE Cc1cc(N2CCOC[C@@H]2C(N)=O)ccc1CNC1CC1 159020461 WBFWYSKAGJTHFT-OAHLLOKOSA-N 289.379 0.938 10 10 CCCE CO[C@@H]1C[C@H](NC(=O)c2cccc(O)c2O)C[C@H]1N 2130800182 QXODOURYKUUKIL-BCMRRPTOSA-N 266.297 0.332 10 10 CCCE CC(=O)c1ccc(O)c(CN2CC[C@H](O)[C@H](O)C2)c1 2132114485 DLVXZOBOWMOMRD-UONOGXRCSA-N 265.309 0.522 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CCC=C[C@@H]1CO 2132348862 UPHARULSTGINCM-SECBINFHSA-N 265.265 0.566 10 10 CCCE NC[C@]1(F)CCN(C(=O)c2cc(O)c(O)c(O)c2)C1 2132405130 XCNZHHNIANVYKS-GFCCVEGCSA-N 270.260 0.316 10 10 CCCE CCCOCCOC(=O)c1nnn(-c2ccc(N)cc2)n1 1857878506 FJWPAZHCAHGXMC-UHFFFAOYSA-N 291.311 0.828 10 10 CCCE CN(C)c1ccc([C@H](NN)C2COCCOC2)cc1 2138819208 LXSQSRYSMPYXTC-AWEZNQCLSA-N 265.357 0.920 10 10 CCCE CN(C1COC1)S(=O)(=O)Cc1ccc(N)cc1 1915742959 SZQGIZUEVDDMGY-UHFFFAOYSA-N 256.327 0.429 10 10 CCCE N[C@@H](C(=O)NCc1ccccc1O)[C@H]1CCOC1 1966878646 QQWKHQGFHKTLNK-CMPLNLGQSA-N 250.298 0.372 10 10 CCCE CO[C@@H]1CNC[C@@H](C(=O)NCc2ccccc2O)C1 1966877534 GFGNMHTVFWTPJM-RYUDHWBXSA-N 264.325 0.633 10 10 CCCE CC(C)C1(O)CN(S(=O)(=O)Cc2ccc(N)cc2)C1 227219369 BNMZAQZDODTMPE-UHFFFAOYSA-N 284.381 0.801 10 10 CCCE CN(Cc1ccc(N)cc1)S(=O)(=O)CC(=O)O 1944014198 MVJJOUZUSOYQFR-UHFFFAOYSA-N 258.299 0.115 10 10 CCCE C[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)[C@H](C)CN1 1970420656 ZMVKVFJOPGUXCR-NXEZZACHSA-N 264.325 0.849 10 10 CCCE NC[C@H](NC(=O)Cc1ccc(O)c(O)c1)C(F)(F)F 1971984673 LNZRXVFSPIRFIR-VIFPVBQESA-N 278.230 0.646 10 10 CCCE O=C1CN(C(=O)Cc2ccc(O)c(O)c2)[C@@H]2CC[C@H]2N1 1972880805 NJZLCUYXCHOSCC-NXEZZACHSA-N 276.292 0.130 10 10 CCCE Oc1ccc(F)cc1CN[C@@H]1C[C@H]2C[C@H]1[C@H](O)[C@@H]2O 1974157174 KWAQKLMAPKGVDZ-KNKYVABDSA-N 267.300 0.751 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3C[C@H](CO)C4(CC4)C3)ccc21 2144091447 SSKHVHIATMHHJO-NOZJJQNGSA-N 273.336 0.847 10 10 CCCE COCCN1CC[C@H](NCCc2ccc(O)c(O)c2)C1 2148014908 FFBRASPHZZVIAN-ZDUSSCGKSA-N 280.368 0.951 10 10 CCCE CC(C)N(CCO)c1ccc2c(c1)N(C)C(=O)[C@H]2N 155749849 AYQJUMHDVVRRBC-ZDUSSCGKSA-N 263.341 0.870 10 10 CCCE CN1C[C@H](CN)C[C@@H]1c1ccc(S(C)(=O)=O)cc1O 258445632 FMMIRMDSIXUXDY-JOYOIKCWSA-N 284.381 0.747 10 10 CCCE CN(C)CC[C@H](NC(=O)c1ccc(O)c(O)c1)C(=O)O 2144809810 VBMIZZHHWDJVQR-VIFPVBQESA-N 282.296 0.233 10 10 CCCE O=C(c1cccc(O)c1O)N1CCCNCCOCC1 2144879945 JTPAMWGYILXDFM-UHFFFAOYSA-N 280.324 0.550 10 10 CCCE CNCc1cc(F)c(N2CC(OCC(N)=O)C2)c(F)c1 2145378505 ZRDGADUKTRNHON-UHFFFAOYSA-N 285.294 0.375 10 10 CCCE O=C1CCC[C@H](CNCc2cc3c(cc2O)OCO3)N1 2145557922 LTCVLEPVUHFWKI-SNVBAGLBSA-N 278.308 0.879 10 10 CCCE CN(Cc1ccc(N)cc1)C(=O)[C@H]1CN2CCN1CC2 2155737960 CCZPYPBZRFCCKN-CQSZACIVSA-N 274.368 0.227 10 10 CCCE C[C@@H]1OCCO[C@H]1C(=O)NCc1ccccc1O 2027173309 CMWHWDPJMWRUFC-JOYOIKCWSA-N 251.282 0.812 10 10 CCCE CN(CC(C)(C)CO)C(=O)c1cc(O)nc(O)c1 2033566250 YQYANZQEEITROK-UHFFFAOYSA-N 254.286 0.583 10 10 CCCE CO[C@@H]1CN(C)C[C@H]1NCc1cccc(O)c1O 2034335028 MQHVFHLBIGQBGT-ZYHUDNBSSA-N 252.314 0.516 10 10 CCCE CCNCc1ccc(N2CC(OCCO)C2)cc1 2034842004 AOIVZBBEKWPVNC-UHFFFAOYSA-N 250.342 0.994 10 10 CCCE OC[C@@H]1CO[C@H](CNCc2cccc(O)c2O)C1 2039813905 PAYUCXXCMIBAGU-KOLCDFICSA-N 253.298 0.585 10 10 CCCE CN(C)[C@H]1CC[C@H]1NC(=O)c1ccc(O)c(O)c1 2039968677 UCAUSOXKWLPAER-ZJUUUORDSA-N 250.298 0.920 10 10 CCCE CCNS(=O)(=O)CCNCc1ccc(OC)cc1O 68981405 MINZHBOKCUVFIK-UHFFFAOYSA-N 288.369 0.430 10 10 CCCE O=C(c1cccc(O)c1O)N1CCO[C@H]2CCNC[C@H]21 404193694 LXQFFGMFQWPHMJ-PWSUYJOCSA-N 278.308 0.301 10 10 CCCE CC[C@@H](N)c1ccc(N2CCC[C@@](O)(C(N)=O)C2)cc1 312762404 KTUIEGJZDDRETL-HIFRSBDPSA-N 277.368 0.913 10 10 CCCE CN(OCC(=O)O)C(=O)NCc1ccc(N(C)C)cc1 2160467353 GMPRNPMTDIQCIU-UHFFFAOYSA-N 281.312 0.910 10 10 CCCE CNC(=O)CN1CCN(c2ccc(CN)c(Cl)c2)CC1 700782758 ATXMICRNFHXEFU-UHFFFAOYSA-N 296.802 0.667 10 10 CCCE O=C1Nc2cc(N3C[C@H](O)C[C@@H](O)C3)c(Cl)cc2[C@H]1O 2161392997 FAFWDWWLGABOBW-NQYJQULFSA-N 298.726 0.257 10 10 CCCE CN1C[C@H]2CN(c3ccc4c(c3)NC(=O)[C@H]4N)C[C@H]2C1 706966721 RCLICWNRAXNYIR-RBZYPMLTSA-N 272.352 0.636 10 10 CCCE C[C@H](NC1CS(=O)(=O)C1)c1cc(O)ccc1O 380149013 ROPWXXLKJNMLLM-ZETCQYMHSA-N 257.311 0.545 10 10 CCCE C[C@@H](NS(=O)(=O)Cc1ccc(N)cc1)c1ncn(C)n1 391857207 FSIQCAADVFKHKD-SECBINFHSA-N 295.368 0.578 10 10 CCCE CC(=O)c1ccc(O)c(CN(C)CCC(N)=O)c1 382074525 HKKJNDHFHFXGCE-UHFFFAOYSA-N 250.298 0.902 10 10 CCCE CNC(=O)c1cnn(Cc2cc(OC)ccc2O)c1O 2070461999 MDHJHIVXTHELIO-UHFFFAOYSA-N 277.280 0.711 10 10 CCCE O=C(NC1C[C@H]2C(C(=O)O)[C@@H]2C1)c1cc(O)nc(O)c1 2169242804 CPWGGMTXBOOHGP-YFHNAJJPSA-N 278.264 0.332 10 10 CCCE O=C(N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2O)c1cc(O)c(O)c(O)c1 2188875667 SNMGDCIQLWVXPI-WDQPUEAGSA-N 279.292 0.693 10 10 CCCE C[C@H]1C[C@@]1(CNC(=O)c1cc(O)c(O)c(O)c1)C(=O)O 2188868205 NMZVYVACROWWAL-IYQDAUBNSA-N 281.264 0.644 10 10 CCCE CN1C(=O)[C@@H](O)c2ccc(N(C)C3CC(CO)C3)cc21 2193580271 HOXSATCKJBXCDD-IUVQJJGASA-N 276.336 0.904 10 10 CCCE C[C@H](O)C[C@H]1COCCN1C(=O)c1cccc(O)c1O 1447512158 YSKXVYYXDXCUDP-UWVGGRQHSA-N 281.308 0.710 10 10 CCCE CNCc1ccc(N2C[C@@H](O)C[C@H](OC)C2)cc1 2046664901 PVSZGIMARNDRFP-KBPBESRZSA-N 250.342 0.992 10 10 CCCE CO[C@H]1CC(=O)N(C(=O)CCOc2ccc(N)cc2)C1 2191650278 PCYGHPKVJUPXPX-LBPRGKRZSA-N 278.308 0.812 10 10 CCCE NC[C@@]1(O)CCCN(C(=O)CCc2ccc(N)cc2)C1 2191669785 IGMWWCQUDCXOMV-HNNXBMFYSA-N 277.368 0.514 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC=C[C@H]2CO)cc1 2056278918 ATVMXNOPSBCBBK-LBPRGKRZSA-N 268.338 0.331 10 10 CCCE COCCNC(=O)[C@H](C)N1CCC[C@H]1CN=[N+]=[N-] 2059056932 BSLKTKNYSUEDDM-UWVGGRQHSA-N 255.322 0.912 10 10 CCCE COc1ccc(N2C[C@H](O)C[C@@H]2CN)c(OC)c1 2060802452 OXHRTAZCWCPYJN-NXEZZACHSA-N 252.314 0.602 10 10 CCCE COCCC(=O)N1CCN(CCCN=[N+]=[N-])CC1 2062342919 UGIZUINDCGJLMD-UHFFFAOYSA-N 255.322 0.868 10 10 CCCE CN(C(=O)C1=C[C@H](O)[C@@H](N)C1)c1ccc(F)cc1 2067758501 VLTHJIIYJHCYHC-RYUDHWBXSA-N 250.273 0.807 10 10 CCCE O=C(NC[C@H](O)C(F)F)c1cc(O)c(O)c(O)c1 2068577301 MWJWZTSKHNYULN-ZETCQYMHSA-N 263.196 0.159 10 10 CCCE COc1ccc(N2CCC[C@@](N)(CO)C2)c(N)c1 2071598504 ZWPCAPMVTNTAGX-ZDUSSCGKSA-N 251.330 0.567 10 10 CCCE C[C@H]1CN(S(=O)(=O)Cc2ccc(N)cc2)C[C@@H]1N 2071574609 OQRJJRSNUPNUIY-CABZTGNLSA-N 269.370 0.378 10 10 CCCE COC(=O)c1cccc(N)c1N[C@@H]1COC[C@@H]1N 2071689700 GHIICGRURZSTSV-VHSXEESVSA-N 251.286 0.193 10 10 CCCE C[S@@](=O)CC1CN(c2ccc([N+](=O)[O-])c(CO)c2)C1 2110336825 QLMZQPHYFJYACZ-LJQANCHMSA-N 284.337 0.902 10 10 CCCE CN1C[C@@](NCCN=[N+]=[N-])(C(N)=O)CC12CCCC2 2100647144 IUDUOEBOBGFQJP-GFCCVEGCSA-N 266.349 0.759 10 10 CCCE 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CCCE CN1CCN(CC2=C[C@@H](O)[C@@H](N)C2)c2ccccc21 2131472121 BRWYUEMXJAUKLX-SWLSCSKDSA-N 259.353 0.961 10 10 CCCE CN(c1cc2c(cc1N)OCCO2)C(C)(C)C(N)=O 1915528019 QUHDRWYCJWWMEB-UHFFFAOYSA-N 265.313 0.740 10 10 CCCE CC[C@H](N)c1ccc(N2CC(CO)(CO)C2)cc1 1915006355 QUYHIMKIIQXHKP-ZDUSSCGKSA-N 250.342 0.887 10 10 CCCE C[C@@H](c1cc(O)ccc1O)N1C[C@@H](O)C[C@H]1C(=O)O 2136120755 IBXSAVWETYWZAR-ARENWVFISA-N 267.281 0.679 10 10 CCCE Cc1cc(N2C(=O)[C@H]3CS(=O)(=O)C[C@H]3C2=O)ccc1N 1924772715 OVBRBFUEMOBBSP-AOOOYVTPSA-N 294.332 0.111 10 10 CCCE C[C@]1(O)CN(c2c(F)cc(CO)cc2F)CC[C@@H]1O 2136879295 PAUZYAJBUUBUSI-AAEUAGOBSA-N 273.279 0.779 10 10 CCCE CCN(CC(N)=O)CC(=O)N(C)c1ccc(N)cc1 231814379 PJGZWYYPDKUWHP-UHFFFAOYSA-N 264.329 0.039 10 10 CCCE Oc1cc(F)ccc1CN[C@@]12CC[C@@H](C1)[C@@H](O)[C@H]2O 2139886802 FSEXKRUTQHALFB-IYMWITQMSA-N 267.300 0.895 10 10 CCCE O=C(CN1C[C@@H]2OCCO[C@@H]2C1)c1ccc(O)c(O)c1 2149775712 RLFHDWKBLQAAJR-OKILXGFUSA-N 279.292 0.380 10 10 CCCE O=[N+]([O-])c1cc(CO)ccc1N1CCO[C@@H](CCO)C1 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0.729 10 10 CCCE COc1cc(N(C)[C@@H]2COC[C@H]2O)ccc1CN 2084017355 QKYVLDYOTOFRBW-VXGBXAGGSA-N 252.314 0.350 10 10 CCCE C[C@H](c1ccccc1O)N(C)C(=O)[C@H](N)C1COC1 2104894741 PRDRIVKTURTNCT-NOZJJQNGSA-N 264.325 0.885 10 10 CCCE CO[C@@H](C)[C@@H](N)C(=O)NCc1ccc(N(C)C)cc1 2087713732 CNILDKQFNADSMM-GXFFZTMASA-N 265.357 0.731 10 10 CCCE CC[C@H](N[C@@H]1C[C@H](O)[C@@H](O)[C@@H]1O)c1ccccc1O 2108830179 HVLSOPVFQUEKBP-SZZQBSIJSA-N 267.325 0.288 10 10 CCCE CO[C@@H]1C[C@H](O)CN(C(=O)c2ccc(O)c(O)c2)C1 2109027667 KPWKSRDPBHTMQI-VHSXEESVSA-N 267.281 0.320 10 10 CCCE NN[C@H](c1ccccc1O)[C@@H]1CN2CCC[C@@H]2CO1 2090036224 AEXUFVYIALALBG-DDTOSNHZSA-N 263.341 0.760 10 10 CCCE CN[C@@H](c1ccccc1O)[C@@](C)(O)C1CS(=O)(=O)C1 2091869364 YDEXBQZNIBHKAY-STQMWFEESA-N 285.365 0.448 10 10 CCCE O=C(O)[C@@H]1[C@@H]2OCCN(Cc3ccc(O)cc3O)[C@H]21 2092844576 KXKBASCMHDZJJU-SRVKXCTJSA-N 265.265 0.382 10 10 CCCE C[C@H](c1ccccc1O)N1C[C@@H](N)C[C@H](C(N)=O)C1 2094663742 VBOMXXQPESMDPM-VWYCJHECSA-N 263.341 0.588 10 10 CCCE C[C@H](c1ccc(F)cc1O)N1C[C@H](O)[C@H](O)[C@H]1C(=O)O 2200863357 OSEGQCBLGYOQGX-VYLNZQIESA-N 285.271 0.083 10 10 CCCE COc1ccc(CN2CC[C@H](O)C[C@@H]2C(=O)O)c(O)c1 2201081272 FMTDJESDKPUSJX-CMPLNLGQSA-N 281.308 0.811 10 10 CCCE [N-]=[N+]=NCC1CCN([C@H]2CC(CO)(CO)C[C@@H]2O)CC1 2206388674 AEPDOKVYSSDADJ-RYUDHWBXSA-N 284.360 0.503 10 10 CCCE NC(=O)c1c[nH]c(=NCc2cc(N)ccc2O)s1 2218525618 JBHOMDWAQJBIDK-UHFFFAOYSA-N 264.310 0.564 10 10 CCCE C[C@]1(C(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])CNC(=O)C1 2218741660 OGUGGXWHLVINQF-VAOFZXAKSA-N 251.290 0.860 10 10 CCCE C[C@@]1(O)CN(c2ccc3c(c2)OCCO3)CC[C@@H]1O 2226782034 UTOPRELTGATTKZ-UONOGXRCSA-N 265.309 0.780 10 10 CCCE C[C@]1(O)CN(c2ccc3c(c2)OCCO3)CC[C@H]1O 2226782033 UTOPRELTGATTKZ-KGLIPLIRSA-N 265.309 0.780 10 10 CCCE C[C@H](c1ccccc1O)N1C[C@@H]2CN[C@@H](CO)[C@H]2C1 2227305883 KCSWYPLFKFYLNK-XWUBHJNHSA-N 262.353 0.965 10 10 CCCE N[C@@H]1[C@H]2C[C@@H](CN(Cc3ccc(O)c(O)c3)C2)[C@@H]1CO 2239355219 WKMOQVDKWVTLMM-JUFZMCDQSA-N 278.352 0.485 10 10 CCCE Nc1ccc(NC(=O)N2C[C@@H]3CCO[C@@]3(CO)C2)cc1 2239794968 GXEATUZHKAZLMR-IINYFYTJSA-N 277.324 0.884 10 10 CCCE Cc1cc([C@@H](C)O)ccc1N1C[C@H]2C(=O)NC(=O)[C@H]2C1 2240833485 OLLZZWAXYRBYKY-JLLWLGSASA-N 274.320 0.757 10 10 CCCE COC1(CS(=O)(=O)CCN=[N+]=[N-])CCOCC1 2247000037 GFUWRYXKEYXDJC-UHFFFAOYSA-N 263.319 0.907 10 10 CCCE CNCc1cc(OC)ccc1N1CC[C@H]1[C@H](O)CO 2270707420 CHHPVCDOTSPIAR-UONOGXRCSA-N 266.341 0.347 10 10 CCCE CC1(C)OCCN[C@H]1C(=O)NCc1ccccc1O 2265028520 XWBPBBJYIPIHFV-LBPRGKRZSA-N 264.325 0.775 10 10 CCCE COc1cccc(O)c1CN(CCN)CCN(C)C 2265845545 MQSTWAVHPVHGFL-UHFFFAOYSA-N 267.373 0.723 10 10 CCCE N[C@H]1C[C@@]2(NC(=O)c3ccc(O)c(O)c3)CO[C@H]1C2 2266448905 YMRKNZLXLCWUQK-QWRKXWFKSA-N 264.281 0.086 10 10 CCCE CO[C@@H]1COC[C@@H]1N1CCc2cc(O)c(O)cc2C1 2341215218 VMXOSJZTPPTUIC-SMDDNHRTSA-N 265.309 0.870 10 10 CCCE NC(=O)CN1CCC(NCc2ccc3c(c2)CCO3)CC1 37363536 WUKZBKAWPOGUBS-UHFFFAOYSA-N 289.379 0.661 10 10 CCCE O=C(c1cccc(O)c1O)N1C[C@H]2NCCC[C@@H]2C1 221630895 WDRGFXMWRYEDFX-MWLCHTKSSA-N 262.309 0.922 10 10 CCCE Cn1cnc(CCNC(=O)CCOc2ccc(N)cc2)n1 148587241 NJCSMKFMIOQOIL-UHFFFAOYSA-N 289.339 0.525 10 10 CCCE Oc1cc2c(cc1CN1CCN3CCOC[C@@H]3C1)OCO2 368813464 GVBSYXTYNDYMMB-LBPRGKRZSA-N 292.335 0.637 10 10 CCCE COc1ccc(O)c(CNC(=O)[C@]2(C)CCC(=O)NC2)c1 374215939 HGOCCAFKCMDXMB-OAHLLOKOSA-N 292.335 0.933 10 10 CCCE CC(=O)C(=O)COC(=O)Cc1c(C)noc1Cl 808527231 CAFFLHDMRDJHRO-UHFFFAOYSA-N 259.645 0.880 10 10 CCCE C[C@H](CO)N1CCN(C(=O)Nc2ccc(N)cc2)CC1 2169366519 MZDSPAFBZWLGIJ-LLVKDONJSA-N 278.356 0.799 10 10 CCCE CCN(C)c1ccc(CN2CC[C@@](O)(C(N)=O)C2)cc1 815099938 IXGQAHKDDYSMDZ-HNNXBMFYSA-N 277.368 0.565 10 10 CCCE CC(=O)C(=O)COC(=O)c1nn(C)cc1Br 814600105 WYKXZZFIILKZBN-UHFFFAOYSA-N 289.085 0.498 10 10 CCCE CNC(=O)[C@@H]1COCCN1c1ccc([C@H](C)NC)cc1 723182105 HUNJUEPKOMMGJU-FZMZJTMJSA-N 277.368 0.918 10 10 CCCE Cc1ccc(NNC=C2C(=O)N(C)C(=O)N(C)C2=O)nc1 727490699 VUAPGSIFGKULHK-UHFFFAOYSA-N 289.295 0.241 10 10 CCCE CN1CC[C@](C)(C(=O)NCc2ccc(O)cc2O)C1=O 910944024 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NC[C@H](F)C1CC(NC(=O)c2ccc(O)c(O)c2)C1 1907282612 HHLAHHRZTJNVHT-RTBKNWGFSA-N 268.288 0.903 10 10 CCCE Cn1c(O)nc(OCCc2ccc(N)cc2)cc1=O 2119805512 IMELRPITNFTGDH-UHFFFAOYSA-N 261.281 0.690 10 10 CCCE O=C(NCc1ccc(O)cc1O)C1=C2CCCN=C2NN1 1557085236 GBMFXFSEGQIXBY-UHFFFAOYSA-N 288.307 0.268 10 10 CCCE C[S@@](=N)(=O)N1CCN(C(=O)c2cccc(O)c2O)CC1 1644937755 MAWOUSXVQPAQKL-FQEVSTJZSA-N 299.352 0.447 10 10 CCCE [N-]=[N+]=NC[C@H]1CCN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C1 1912178140 LXALHCAYKMEHNV-NXEZZACHSA-N 280.332 0.936 10 10 CCCE COCCOC[C@@H](O)CN1CCC(N=[N+]=[N-])CC1 1912200587 JIXSIHYIWYXTTH-NSHDSACASA-N 258.322 0.785 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NCC[C@H](O)C(F)F 1635309517 ZMEKMWLESAYSMA-VIFPVBQESA-N 275.251 0.773 10 10 CCCE CN(C)[C@H]1CCN(c2ccc3c(c2)NC(=O)[C@H]3N)C1 250353428 LVJXPVPWGZLCRP-GWCFXTLKSA-N 260.341 0.779 10 10 CCCE CC(F)(F)[C@H](N)C(=O)NCCc1ccc(O)c(O)c1 2128395892 DCVNHGJKRXMRMG-SNVBAGLBSA-N 274.267 0.739 10 10 CCCE NC1C[C@H]2CN(C(=O)c3cccc(O)c3O)C[C@@H]2C1 2128757187 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COc1cc(N2CC(CS(C)(=O)=O)C2)ccc1CN 2139691117 RURJJQCKMUWEDE-UHFFFAOYSA-N 284.381 0.635 10 10 CCCE O=C(NC1CCS(=O)CC1)[C@@H]1CNc2ccccc2N1 229884906 WUGGYEQNCRIFGW-KSGRXROLSA-N 293.392 0.920 10 10 CCCE COc1cc(N)c(N2C[C@H](C)O[C@@H](CO)C2)cc1OC 229944367 GHZPZENRPPPHGP-VHSXEESVSA-N 282.340 0.872 10 10 CCCE CCNCc1ccc(N2CC(O)(CO)C2)cc1OC 2139702752 OHUYPTWBNWOFAA-UHFFFAOYSA-N 266.341 0.348 10 10 CCCE CN1CCN(CCc2ccc(N)cc2)[C@@H](CCO)C1 2138085245 UUOJQOLRJNMMPV-HNNXBMFYSA-N 263.385 0.810 10 10 CCCE O=S1(=O)C[C@H](c2c(O)cccc2F)NCCN1 1952475291 DZGBZBJLDLBFOM-MRVPVSSYSA-N 260.290 0.095 10 10 CCCE COc1ccc(O)c([C@@H]2CS(=O)(=O)CCN2)c1 1952593269 ANFTWKINMBSWDA-JTQLQIEISA-N 257.311 0.460 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1[C@H]2NCCCC[C@H]21 1973334845 DTEYARSLNCPGGM-WKPIXPDZSA-N 276.336 0.897 10 10 CCCE C[C@H](c1ccccc1O)N1CC(=O)N(C)C[C@@H]1C(=O)O 2143809003 XMLZBCLDLPRYMV-MWLCHTKSSA-N 278.308 0.680 10 10 CCCE COC(=O)c1cc([C@H](N)CCC(=O)O)c(O)cc1O 258436801 DOZARXILBNRCKP-MRVPVSSYSA-N 269.253 0.749 10 10 CCCE C[C@@H](O)c1ccc(N2CC[C@@H](OCC(N)=O)C2)c(F)c1 2145371129 KKIYVLHUJBSVKW-MWLCHTKSSA-N 282.315 0.960 10 10 CCCE NC(=O)N[C@@H]1CCN(Cc2ccc(F)cc2O)C1 293824823 DLXDKSNLAWKUKE-SNVBAGLBSA-N 253.277 0.774 10 10 CCCE O=C(O)COC1CN(Cc2ccc(O)c(O)c2)C1 2028213511 OFUOMTCMZMYPSJ-UHFFFAOYSA-N 253.254 0.383 10 10 CCCE CCN(c1ccc(N)cc1)[C@H](C)C(=O)NC(=O)NC 63114758 RUAITRNXFKPDJT-SECBINFHSA-N 264.329 0.939 10 10 CCCE C[C@H]1C[C@@H](O)CN(C(=O)COc2ccc(N)cc2)C1 401969576 YCXBKBPOPZJVJU-CMPLNLGQSA-N 264.325 0.877 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN1C(=O)Cc1cc(O)nc(O)n1 701264382 UEJFDGFDMCLXEA-MRVPVSSYSA-N 278.272 0.732 10 10 CCCE C[C@H](C(=O)Nc1ccc(N)cc1)N(C)[C@@H]1COC[C@H]1O 709262187 XTRMIVBDWVZTPB-OASPWFOLSA-N 279.340 0.287 10 10 CCCE C[C@@H]1CC(=O)NCCN1c1ccc(CN)cc1F 687917315 VYFSQKXKFGOHSS-SECBINFHSA-N 251.305 0.999 10 10 CCCE CN(C)c1ccc(CN[C@H]2COCC[C@@H]2O)cc1 710880557 SURSRMLYLXPOIP-KBPBESRZSA-N 250.342 0.992 10 10 CCCE C[C@@H]1NCCN(C(=O)c2cc(O)nc(O)c2)[C@H]1C 379493560 LOGHHJBVYCCLSV-YUMQZZPRSA-N 251.286 0.315 10 10 CCCE C[C@H](N)c1ccc(N2CC[C@@](O)(C(N)=O)C2)c(Cl)c1 381687302 CMUZZPVXJXKNKW-SDBXPKJASA-N 283.759 0.786 10 10 CCCE CNC(=O)C1CN(c2cc3c(cc2N)OCCO3)C1 381917853 HBQVQKDKLBYMLV-UHFFFAOYSA-N 263.297 0.222 10 10 CCCE Nc1ccc(N2CCN(C[C@@H]3CCC(=O)N3)C2=O)cc1 383625151 WOKLGRLVDPPPAK-NSHDSACASA-N 274.324 0.789 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC[C@H]2CNC[C@@H]2C1 388860735 AVKHOFUOXADRGK-WCBMZHEXSA-N 263.297 0.174 10 10 CCCE C[C@@H](CNC(=O)CCc1ccc(N)cc1)c1nn[nH]n1 392549015 IAIOMVOXMRXCGT-VIFPVBQESA-N 274.328 0.634 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3CC[C@H]4[C@@H]3C[C@H]4O)ccc21 2178170391 WBZKVBHIHPVLDX-DEQVHRJGSA-N 273.336 0.859 10 10 CCCE [N-]=[N+]=NCCCN[C@]1(C(N)=O)CO[C@]2(CCCOC2)C1 2178932220 QQUPSJWGRVHKGO-NEPJUHHUSA-N 283.332 0.470 10 10 CCCE C[C@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)CC[C@@H]1CO 2188868138 MTKPBQCTONXJPD-DTWKUNHWSA-N 281.308 0.894 10 10 CCCE C[C@H](NC(=O)c1cc(O)c(O)c(O)c1)c1cn(C)nn1 2188908161 AFJDRZJTSKFZCS-LURJTMIESA-N 278.268 0.423 10 10 CCCE CNCc1ccc(N2C[C@@H]3C[C@H](C2)[C@@H](O)[C@H]3O)cc1C 2182547046 HXKXPPGDYQOFNA-SDSIWUNFSA-N 276.380 0.892 10 10 CCCE CN[C@@H]1CCc2cc(N3CCOC[C@H]3C(N)=O)ccc21 2184728077 ZSPAKASGTYQKKZ-KGLIPLIRSA-N 275.352 0.584 10 10 CCCE C[C@](CO)(NC(=O)Cc1ccc(N)cc1)C(F)F 2043160336 XXNFFQDFXNFBDH-GFCCVEGCSA-N 258.268 0.944 10 10 CCCE CCOC(=O)[C@@](C)(NCCN=[N+]=[N-])[C@]1(C)CCN1 2045136303 MHGCGBFTJXWJGF-WDEREUQCSA-N 255.322 0.960 10 10 CCCE Oc1ccc(CNCC[C@@H]2COC[C@@H]2O)c(O)c1 2048708716 YIDHZHUBPPWPPI-MFKMUULPSA-N 253.298 0.585 10 10 CCCE O=C1CO[C@H]2CCN(c3ccc(CO)cc3F)C[C@H]2N1 2185522215 NZELHZYSCOVIBD-YPMHNXCESA-N 280.299 0.412 10 10 CCCE Nc1ccc(O)c(CN2CC(=O)N3CCOC[C@@H]3C2)c1 2185857521 GRIDGYGSJYCUMC-LBPRGKRZSA-N 277.324 0.017 10 10 CCCE Cc1nn[nH]c1CNC(=O)CCOc1ccc(N)cc1 2186475543 PZOWFJYATXPDMS-UHFFFAOYSA-N 275.312 0.781 10 10 CCCE Nc1ccc(NC(=O)N[C@H]2[C@H]3OCCC[C@@H]3[C@H]2N)cc1 2191538775 MUDQIMNPVASRCD-LPWJVIDDSA-N 276.340 0.895 10 10 CCCE CN1CCCC12CN(C(=O)COc1ccc(N)cc1)C2 2186528347 UTTNWWZRGISUDM-UHFFFAOYSA-N 275.352 0.954 10 10 CCCE Nc1ccc(OCCC(=O)N[C@@H]2C[C@@H]3CNC[C@@H]32)cc1 2191670504 IYNFOELAHZQYJH-DDTOSNHZSA-N 275.352 0.762 10 10 CCCE Nc1ccc(OCC(=O)N2C[C@H]3C[C@@H](N)C[C@H]2C3)cc1 2191715480 ZUIRVKHCDCDWIZ-CYZMBNFOSA-N 275.352 0.986 10 10 CCCE O=C(c1cccc(O)c1O)N1CCOC[C@H]1CF 2062388991 SOIWHQJTHQXVAG-MRVPVSSYSA-N 255.245 0.908 10 10 CCCE COC(=O)[C@@H](C)CS(=O)(=O)N(C)CCCN=[N+]=[N-] 2063719652 DUAMIMNOCNUXJL-QMMMGPOBSA-N 278.334 0.758 10 10 CCCE COc1cccc(CNCCC(CO)CO)c1O 2064510928 YRROCDTWHDBJMQ-UHFFFAOYSA-N 255.314 0.481 10 10 CCCE COC1(OC)CCN(C(=O)c2cc(O)nc(O)c2)CC1 2187690737 YYGZFHRQDHQTPE-UHFFFAOYSA-N 282.296 0.718 10 10 CCCE Cc1cc(O)ccc1NS(=O)(=O)c1c[nH][nH]c1=N 2071696901 WKMIVCMGIREWHA-UHFFFAOYSA-N 268.298 0.637 10 10 CCCE CCOC(=O)[C@@H](N)CNCc1ccc2c(c1)CCO2 2104271517 LFPDBYWJCNXFGN-LBPRGKRZSA-N 264.325 0.602 10 10 CCCE COc1cccc(O)c1CN1CCN(C)C[C@@H]1CN 2104436406 CMLLWSQRSJJCRJ-NSHDSACASA-N 265.357 0.476 10 10 CCCE O=C(NC[C@H](CO)C(F)(F)F)c1cc(O)nc(O)c1 2105261583 IAWWCRYBYBOJGU-ZCFIWIBFSA-N 280.202 0.393 10 10 CCCE CN1CCc2cc([C@@H](O)[C@H]3CNCCOC3)ccc21 2106793743 QCSLFEIONSAFCI-DZGCQCFKSA-N 262.353 0.948 10 10 CCCE CC[C@]1(N)CCCN(C(=O)c2cc(O)nc(O)c2)C1 2087759154 MQDMALYRHVGBKR-ZDUSSCGKSA-N 265.313 0.836 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3CC=C[C@@H](O)C3)cc21 2108780110 NZXBFLKLLFUBKU-ZWNOBZJWSA-N 259.309 0.400 10 10 CCCE CO[C@H]1C[C@@H](O)CN(CCOc2ccc(N)cc2)C1 2109015464 FLMVLVKUWZRATP-OCCSQVGLSA-N 266.341 0.729 10 10 CCCE NCc1ccc(N2CCOC[C@@H]2[C@H](O)CO)cc1Cl 2090135163 DCJATPZZGPTLKW-CHWSQXEVSA-N 286.759 0.357 10 10 CCCE CO[C@@H]1CN(c2ccc3c(c2)NC(=O)[C@@H]3O)C[C@H]1F 2090290755 IVEFTLFYARGOLF-YUSALJHKSA-N 266.272 0.845 10 10 CCCE CN1C[C@H](O)[C@@H](NCc2ccc3c(c2)CCCO3)C1 2090339997 NLYHFTYNLVJCNQ-KBPBESRZSA-N 262.353 0.776 10 10 CCCE Cc1cc(CN)ccc1N(C)CCN(C)S(C)(=O)=O 2090796069 ZYVPKWAUZQWOHQ-UHFFFAOYSA-N 285.413 0.781 10 10 CCCE COC[C@H](CC(=O)O)NC(=O)c1cccc(O)c1O 2092829473 RZWHSQKFRPPWNW-ZETCQYMHSA-N 269.253 0.317 10 10 CCCE CC1(C)C[C@@H](O)CN1c1ccc2c(c1)NC(=O)[C@@H]2N 2098602794 OGCXNNFWYBESBX-BXKDBHETSA-N 261.325 0.988 10 10 CCCE [N-]=[N+]=NCCN[C@@]1(C(N)=O)C[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1 2117867028 DIMOGADNIOVWTA-VEOFNUSFSA-N 265.317 0.698 10 10 CCCE C[C@H](O)CN(CCO)c1ccc2c(c1)CCN2C 2219637591 KESBCDTTXCYAAS-NSHDSACASA-N 250.342 0.858 10 10 CCCE O=C1Nc2cncnc2N[C@@H]1Cc1ccc(O)c(O)c1 2235297863 VHWCQVSKVGOJES-MRVPVSSYSA-N 272.264 0.863 10 10 CCCE COC[C@@H]1[C@H](O)[C@H](O)CN1c1ccc(CN)cc1Cl 2225699776 GMRPBACAIOQLKY-UPJWGTAASA-N 286.759 0.356 10 10 CCCE COc1ccc(N2CCO[C@@H]3COC[C@H]32)c(C(=O)O)c1 2235946845 XOYKZFHCSDYKMO-CHWSQXEVSA-N 279.292 0.997 10 10 CCCE CN1CCN(c2ccc3c(c2)COCC3)C[C@@H]1CO 2226706243 LZOOZWNQUGXUPS-OAHLLOKOSA-N 262.353 0.872 10 10 CCCE CCNCc1cc(OC)ccc1N1C[C@H](O)[C@@H](O)C1 2227682579 PUMLDLPATYPQML-KBPBESRZSA-N 266.341 0.347 10 10 CCCE O=[N+]([O-])c1cc(NS(=O)(=O)C2CC(O)C2)ccc1O 2227907051 QUZKCBYLPQYQGQ-UHFFFAOYSA-N 288.281 0.565 10 10 CCCE COc1ccc(N2C[C@@H](CO)C[C@@H](CO)C2)c(N)c1 2228393105 ANPVVJMHHGELQT-PHIMTYICSA-N 266.341 0.705 10 10 CCCE CN[C@H](C)c1ccc2c(c1)CCN2CCOCC(N)=O 2241011222 PXLQXEJCQXWXFM-LLVKDONJSA-N 277.368 0.831 10 10 CCCE C[C@H](CCN)CCNC(=O)c1cc(O)nc(O)c1 2256655439 BWTBJQNMAICQED-MRVPVSSYSA-N 253.302 0.598 10 10 CCCE CO[C@H]1C[C@](N)(C(=O)NCc2cnc(SC)s2)C1 2257025269 DKZUFCKDNUXMAW-DGFRNANFSA-N 287.410 0.988 10 10 CCCE COc1cc(N2CC[C@H]2[C@@H](O)CO)ccc1CO 2258340025 FXHSUJVIYLBWBD-RYUDHWBXSA-N 253.298 0.119 10 10 CCCE CSc1ncc(CNC(=O)[C@@H](N)C(C)(C)O)s1 2248699477 DDWKAFJBPNAFIP-SSDOTTSWSA-N 275.399 0.579 10 10 CCCE CSc1ncc(CNC[C@H](F)C2(O)CNC2)s1 2248730877 BEOXBCAIOZAAEK-QMMMGPOBSA-N 277.390 0.627 10 10 CCCE COC(=O)C1(CS(=O)(=O)N(C)CCN=[N+]=[N-])CC1 2261279209 GNYFKDCQBAAUOF-UHFFFAOYSA-N 276.318 0.512 10 10 CCCE CN(CC1COC1)c1ccc2c(c1)N(C)C(=O)[C@H]2O 2269770219 YQWFJWMWQWEVOH-ZDUSSCGKSA-N 262.309 0.779 10 10 CCCE C[C@H]1O[C@]2(C(=O)N(C)Cc3ccccc3O)C[C@@]1(N)C2 2280777657 NJLVAVXVGODQRJ-VCTAVGKDSA-N 276.336 0.999 10 10 CCCE COc1cc(OC)c(N2CC[C@@H](O)[C@H](O)C2)cc1OC 2289450708 UTYXZUMGMLZGMY-GHMZBOCLSA-N 283.324 0.644 10 10 CCCE O=C1C[C@H]2COC[C@@H](C1)N2C(=O)c1cccc(O)c1O 1148218364 ALPPIRCYNRRWFN-DTORHVGOSA-N 277.276 0.670 10 10 CCCE COCCN1C[C@@H](O)[C@H](N2CC[C@H](N=[N+]=[N-])C2)C1 2308494485 BCQJJYPSMLXRNC-HBNTYKKESA-N 255.322 0.063 10 10 CCCE CS(=O)(=O)CCCN1CCN(c2ccc(N)cc2)CC1 63015371 AHKUXSPHMYOZCB-UHFFFAOYSA-N 297.424 0.826 10 10 CCCE C[C@H](O)CN(C)CCC(=O)Nc1ccc(N)cc1 51816801 UWMKOBLOHOJMGN-JTQLQIEISA-N 251.330 0.910 10 10 CCCE Nc1ccc(OCCC(=O)N2C[C@H]3CC[C@@H]2[C@H]3N)cc1 2357179465 YZLDHZXIKWLGGP-YVLXSGLVSA-N 275.352 0.986 10 10 CCCE O=C(NCCC1(O)CCCC1)c1cc(O)nc(O)c1 404192533 GIIORMKGRNVJLV-UHFFFAOYSA-N 266.297 0.918 10 10 CCCE CS(=O)(=O)N1CCN(c2ccc3c(c2)OCCO3)CC1 41380235 DYJODBNUOQSNGA-UHFFFAOYSA-N 298.364 0.539 10 10 CCCE [N-]=[N+]=NCCCNC(=O)C[C@H]1CCS(=O)(=O)C1 42013155 MYRPMBRCPSUDQK-MRVPVSSYSA-N 260.319 0.628 10 10 CCCE O=C(N[C@H]1CCCCNC1)c1ccc(O)c(O)c1 236567449 JQZIVUNCYBEBRD-JTQLQIEISA-N 250.298 0.970 10 10 CCCE CCN[C@H](C)c1ccc(N2C[C@H](O)[C@@H](O)C2)cc1 233640433 MQJDXEZWFOKCOE-SWHYSGLUSA-N 250.342 0.899 10 10 CCCE COc1ccc(N2CCN(C[C@H]3COC[C@@H]3N)CC2)cc1 90385547 OUSVWGYYNQGJJR-BBRMVZONSA-N 291.395 0.791 10 10 CCCE N[C@H](Cc1cc(Br)c(F)c(O)c1O)C(=O)O 258561908 OICTZEGZJRFVHH-RXMQYKEDSA-N 294.076 0.954 10 10 CCCE Nc1ccc(CS(=O)(=O)NCCCN2CCC2)cc1 700030785 XEXZPYLLQPHTDP-UHFFFAOYSA-N 283.397 0.784 10 10 CCCE O=C(O)C(F)(F)C1(O)CN(Cc2ccc(O)c(O)c2)C1 2166990840 GNMXNNYQVZBSEM-UHFFFAOYSA-N 289.234 0.364 10 10 CCCE CNCc1ccc(N2C[C@@H](O)[C@H](OC)C2)cc1C 396001996 PVZBODGDJNVOEF-ZIAGYGMSSA-N 250.342 0.910 10 10 CCCE CN[C@@H]1CCCC[C@H]1NC(=O)c1cc(O)nc(O)c1 721635730 ZCYYFVUVLAJLMD-NXEZZACHSA-N 265.313 0.753 10 10 CCCE CN=[S@](C)(=O)CCNC(=O)c1cccc(O)c1O 912788902 ZZCOVQYLSNYUCF-GOSISDBHSA-N 272.326 0.555 10 10 CCCE CN1CC[C@@H](C(=O)NCc2c(O)cccc2F)C1=O 928707109 AAWULHFQZJQNHT-QMMMGPOBSA-N 266.272 0.626 10 10 CCCE O=C(C1CS(=O)(=O)C1)N1Cc2cccc(O)c2C1 871204155 DMGFDFSSJNAIHC-UHFFFAOYSA-N 267.306 0.279 10 10 CCCE C[C@H]1CN(c2cc3c(cc2N)NC(=O)CC3)C[C@@H]1N 1876304340 MTTGYRIQLPGTGZ-KWQFWETISA-N 260.341 0.937 10 10 CCCE Nc1ccc(CS(=O)(=O)NCC2OCCCO2)cc1 1876526563 COGSWZOFLKFLMR-UHFFFAOYSA-N 286.353 0.451 10 10 CCCE O=C(NCc1nnc(CO)s1)c1ccc(O)c(O)c1 1877544160 CAIASVDOLNTMBI-UHFFFAOYSA-N 281.293 0.372 10 10 CCCE C[C@H](N)c1cc(F)c(N2C[C@@H](O)C[C@H]2CO)c(F)c1 1880924587 SQIFSXPYZZCUHZ-HGNGGELXSA-N 272.295 0.916 10 10 CCCE CNCCCNC(=O)[C@@H](N)c1cc(OC)ccc1O 83495184 FUKPFHRVTUMSPD-LBPRGKRZSA-N 267.329 0.126 10 10 CCCE CS(=O)(=O)N[C@@H]1CCCN(CCc2ccc(N)cc2)C1 703018817 AGFCUTWWCNTSMI-CQSZACIVSA-N 297.424 0.825 10 10 CCCE CN1[C@H](C(=O)O)CC[C@H]1C(=O)NCc1ccc(N)cc1 704618098 IJTKLZTVITWFDX-RYUDHWBXSA-N 277.324 0.432 10 10 CCCE C[C@H](N)c1ccc(N2C[C@H](CO)[C@@H](CO)C2)c(F)c1 704798239 SFYARUWUKFRNKZ-MVWJERBFSA-N 268.332 0.882 10 10 CCCE O=C(/C=C/CN1CCOCC1)NCc1c(O)cccc1O 1178912662 WDRMBVPWLJNCED-GORDUTHDSA-N 292.335 0.602 10 10 CCCE CN1CCN(Cc2cc(N)ccc2O)[C@H](CO)C1 699451859 WTWMIFFSUILFIV-LBPRGKRZSA-N 251.330 0.083 10 10 CCCE CN(C)c1ccc(/C=C\CN[C@@H](CC(N)=O)C(=O)O)cc1 1332031990 FZXVGFYEIAZMDJ-SCOBNMCVSA-N 291.351 0.684 10 10 CCCE CN(C)C[C@H]1C[C@H](O)CN1CCOc1ccc(N)cc1 97244969 MHEOIDLTLABZEX-KGLIPLIRSA-N 279.384 0.644 10 10 CCCE CC1(C)C(=O)NC(=O)CN1c1ccc(CN)cc1F 97300159 WCMYGFPSGYNPNU-UHFFFAOYSA-N 265.288 0.526 10 10 CCCE COC1(C(=O)O)CN(Cc2c(O)cccc2F)C1 1964723195 KTUZRLZXEGMHIG-UHFFFAOYSA-N 255.245 0.817 10 10 CCCE C[C@@H]1C[S@@](=O)CCN1c1ccc2c(c1)NC(=O)[C@@H]2N 2115332979 KDVFBOOCYOCODO-JHRQNXEFSA-N 279.365 0.596 10 10 CCCE CCN(CCO)Cc1ccc(N2CCNCC2)c(OC)c1 212638336 ROODXQXVXOWACB-UHFFFAOYSA-N 293.411 0.919 10 10 CCCE COc1ccc(N2C[C@@H](C)CNC(=O)[C@@H]2CO)cc1 217098067 GIISFZVAMDTZLM-GWCFXTLKSA-N 264.325 0.628 10 10 CCCE O=C(CCc1nc[nH]n1)NCc1ccc(O)cc1O 1469160350 QZRDROYAFIKPCI-UHFFFAOYSA-N 262.269 0.465 10 10 CCCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cn1nccc1N 1611431264 LQQXPTIXGXYLKT-VIFPVBQESA-N 290.323 0.624 10 10 CCCE C[C@H](O)c1ccc(N2C[C@@H](O)[C@@H](O)C2(C)C)cc1O 2124799965 JFWRNYAMBKQCIM-ZEGGKSINSA-N 267.325 0.766 10 10 CCCE CN[C@H](C)c1ccc(N2CC(=O)NC[C@@H]2C)cc1O 2124755393 CSSPDDZJYNMAAN-VHSXEESVSA-N 263.341 0.997 10 10 CCCE CCCNC(=O)NC(=O)CN1CC[C@H](CN=[N+]=[N-])C1 1912185395 PEOJXUBEWMXBJN-SECBINFHSA-N 268.321 0.854 10 10 CCCE Cc1nc(S(=O)(=O)N2CC(N=[N+]=[N-])C2)cn1C 1912153558 CKZQSGZTDRKCNR-UHFFFAOYSA-N 256.291 0.412 10 10 CCCE OCc1ccc(N2C[C@@H]3C[C@H](C2)[C@H](O)[C@@H]3O)c(F)c1 2126152600 IKDYZKMMLBWZCY-DHPDLVEQSA-N 267.300 0.496 10 10 CCCE Nc1ccc(CCN2CCS(=O)(=O)CC2)cc1 36159845 LRSNYPMJUVSGGC-UHFFFAOYSA-N 254.355 0.542 10 10 CCCE CCOc1ccc(O)c(CN2CCNC(=O)C2)c1 160510569 CGOKSJFHNDEXQE-UHFFFAOYSA-N 250.298 0.723 10 10 CCCE C[C@H]1C(=O)NC(=O)CN1c1ccc2c(c1)CC[C@@H]2N 2128321197 JKOURNQTTRWTSJ-UFBFGSQYSA-N 259.309 0.484 10 10 CCCE CN1CC[C@H](NCc2ccc(O)c(O)c2O)CC1=O 2131975634 IBXGCLKLRBLANP-VIFPVBQESA-N 266.297 0.514 10 10 CCCE C[C@@H](Cn1cnnc1)NC(=O)Cc1ccc(N)cc1 2130163446 SYXOOTLSFNLLCG-JTQLQIEISA-N 259.313 0.608 10 10 CCCE Nc1ccc(OCC(=O)N[C@@H]2CCC(=O)NC2)cc1 111014900 XPUDYDOZGDQOQK-SNVBAGLBSA-N 263.297 0.042 10 10 CCCE C[C@H](O)CN1CCN(C(=O)Cc2ccc(N)cc2)CC1 1969266119 JLCMVPIZOMPKMJ-LBPRGKRZSA-N 277.368 0.336 10 10 CCCE CN(C)[C@H]1COC[C@H]1NC(=O)Cc1ccc(N)cc1 1922103282 LCNOXXSBEQSBSA-OLZOCXBDSA-N 263.341 0.257 10 10 CCCE NC12CC(C(=O)NCCc3ccc(O)c(O)c3)(C1)C2 1968738782 FKSILSQBXGLQCQ-UHFFFAOYSA-N 262.309 0.638 10 10 CCCE NC(=O)CCCCNC(=O)[C@H]1CNc2ccccc2N1 230069684 KQPJTYXHZLHVQG-GFCCVEGCSA-N 276.340 0.664 10 10 CCCE COc1cc(N2CCO[C@H]3COC[C@@H]32)ccc1CO 2139698940 OXTPSGARIQAJBU-JSGCOSHPSA-N 265.309 0.792 10 10 CCCE N=C(C[C@H](O)CNCc1ccc2c(c1)CCO2)NO 2139695270 SJGOWMITVITQPF-NSHDSACASA-N 265.313 0.418 10 10 CCCE CC[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)C[C@H]1CO 2140805671 BSJBJMYAXGTIFX-SCZZXKLOSA-N 266.297 0.583 10 10 CCCE NS(=O)(=O)C1(CNCc2ccc(F)cc2O)CCC1 2139882736 VXDVIYKXGSBOMM-UHFFFAOYSA-N 288.344 0.832 10 10 CCCE C[C@@H](CS(N)(=O)=O)NCc1ccc(Cl)cc1O 1947447667 WEPAVCXEEMBYEQ-ZETCQYMHSA-N 278.761 0.812 10 10 CCCE Nc1cc2c(cc1N1C[C@@H]3[C@@H](CO)[C@@H]3C1)NC(=O)CO2 2146879965 QTHWCQBFECMRRT-BRPSZJMVSA-N 275.308 0.274 10 10 CCCE CN1C[C@H](c2ccc(N3CCOCC3)cc2)NCC1=O 1951909212 KXORAFJDTHNHJO-CQSZACIVSA-N 275.352 0.626 10 10 CCCE N[C@H](C(=O)NCCc1ccc(O)c(O)c1)[C@@H]1CCOC1 2149313310 VVINOMNKMRTREV-MFKMUULPSA-N 280.324 0.120 10 10 CCCE O=C(NCc1nc(C(=O)O)co1)c1ccc(O)c(O)c1 2153366777 LHBLHPTUFFVSHI-UHFFFAOYSA-N 278.220 0.714 10 10 CCCE O=C(NC[C@@H](CO)C1CC1)c1ccc(O)c(O)c1 2029473143 UJXZHLZRZNTRRE-JTQLQIEISA-N 251.282 0.846 10 10 CCCE CN1C[C@@H](O)[C@H](NCc2cc(F)cc(F)c2O)C1 2029869422 FPCCYSGAPWKPNS-GHMZBOCLSA-N 258.268 0.435 10 10 CCCE COc1ccc(N2CCN(CC[C@H](O)CN)CC2)cc1 70521694 AMFNPRJYAKONQH-AWEZNQCLSA-N 279.384 0.527 10 10 CCCE COc1ccc(N2CCC(O)(CO)CC2)c([N+](=O)[O-])c1 313619774 DGJHKVYHTLEZDP-UHFFFAOYSA-N 282.296 0.927 10 10 CCCE Cn1nnc(CN2CCCc3cc(CN)ccc32)n1 700946080 GUTAXFYMBHFEHI-UHFFFAOYSA-N 258.329 0.622 10 10 CCCE C[C@@H](N[C@@H]1CCN(CC(=O)O)C1)c1cc(O)ccc1O 2169332671 YUZPATSKCOMRAV-NXEZZACHSA-N 280.324 0.907 10 10 CCCE CC(F)(F)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 328524536 SUSINPKGPAJQSN-ZETCQYMHSA-N 289.234 0.865 10 10 CCCE CNCc1ccc(N2C[C@H](CO)[C@@H](CO)C2)cc1 704813883 GYEWTBJRKMNZOE-CHWSQXEVSA-N 250.342 0.443 10 10 CCCE CCO[C@@H]1CNC[C@@H]1C(=O)NCc1ccccc1O 690173505 ZQYAUXNEWWSCSU-WCQYABFASA-N 264.325 0.633 10 10 CCCE NCC[C@H](NC(=O)c1ccc(O)c(O)c1)C(F)F 383343911 YUGDWTQTOTXRDT-ZETCQYMHSA-N 260.240 0.810 10 10 CCCE COCCNCc1ccc(N(C)C(CO)CO)c(C)c1 383646623 HCHFLIXGTHZCQL-UHFFFAOYSA-N 282.384 0.520 10 10 CCCE CN(C)c1ccc(CNS(=O)(=O)CCCN)cc1 722230892 SOPJWIKOCCANQL-UHFFFAOYSA-N 271.386 0.521 10 10 CCCE CCN(c1ccc(CN)c(F)c1F)[C@H]1CC(=O)NC1=O 2171202581 JESHCIVKBPDODC-VIFPVBQESA-N 283.278 0.665 10 10 CCCE CC[C@@H](O)[C@@H](C)NC(=O)COc1ccc(N)cc1 395705081 HEZXRWORWWKOJU-BXKDBHETSA-N 252.314 0.923 10 10 CCCE Nc1ccc(NC(=O)N[C@@H]2CCn3nnnc3C2)cc1 2175912562 SJZHVQKKTQCXQG-SNVBAGLBSA-N 273.300 0.392 10 10 CCCE N[C@@H]1CN(c2ccc3c(c2)OCCCO3)CC[C@H]1CO 2178907118 NZYXBGKTCMMXAP-WCQYABFASA-N 278.352 0.994 10 10 CCCE Nc1ccc(OCCS(=O)(=O)N[C@H]2CCCNC2)cc1 2191625783 OIYDQFPJLRKEHD-LBPRGKRZSA-N 299.396 0.319 10 10 CCCE CN(C)c1ccc([C@@H](O)[C@H](N)c2nnn(C)n2)cc1 2091681352 ZXSWEBOGGLMULM-WDEREUQCSA-N 262.317 0.010 10 10 CCCE COc1cccc(O)c1CN1C[C@@H](N)CC[C@@H]1C(=O)O 2188776087 MLJMXRBUAMRSMR-GXSJLCMTSA-N 280.324 0.777 10 10 CCCE CN(Cc1cncn1C)C(=O)c1cc(O)c(O)c(O)c1 2188928880 NGJKKPIESBAFGD-UHFFFAOYSA-N 277.280 0.809 10 10 CCCE [N-]=[N+]=NCCCN[C@@]1(C(=O)O)CCCNC(=O)C1 2042111117 DYGULSFLWYDYRH-JTQLQIEISA-N 255.278 0.400 10 10 CCCE COC(=O)[C@@H](NCCCO)c1c(C)cccc1O 2042606821 DEGHAVJFOGRZSE-LBPRGKRZSA-N 253.298 0.887 10 10 CCCE COC[C@@H]1CNCCN1Cc1c(O)cccc1F 2042626031 IDRMPJAYIJTZHY-JTQLQIEISA-N 254.305 0.952 10 10 CCCE CO[C@@H]1C[C@@H](O)CN(c2ccc(CN)c(F)c2)C1 2046665602 VBTBMVPGNRBJSW-VXGBXAGGSA-N 254.305 0.870 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CCC[C@@H](O)C1 2068575790 FKRNNLJHKWXETH-MRVPVSSYSA-N 253.254 0.400 10 10 CCCE C[C@H]1C[C@@H](O)CN1C(=O)c1cc(O)c(O)c(O)c1 2068577111 LZJBBWQYVSJMRR-POYBYMJQSA-N 253.254 0.399 10 10 CCCE COC[C@@H]1C[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2068619147 WVKDBZHKDSMJOZ-JGVFFNPUSA-N 253.254 0.568 10 10 CCCE Oc1ccc(CN2CCN[C@H]3COC[C@H]32)c(O)c1 2068832783 RHLKATUSCGRJGZ-NWDGAFQWSA-N 250.298 0.270 10 10 CCCE CN(C[C@@H]1CCN1C)c1cc2c(cc1F)[C@@H](O)C(=O)N2 2186469185 PGPMRDMNLBSNDU-ISVAXAHUSA-N 279.315 0.952 10 10 CCCE CNC[C@@H]1CN(c2ccc(OC)cc2N)CCO1 2071597710 PQFGXDUQSHQEIT-LLVKDONJSA-N 251.330 0.702 10 10 CCCE OC[C@H]1COCC[C@H]1NCc1ccc(O)cc1O 2072991829 TUQKBAGTOVEUFI-CMPLNLGQSA-N 253.298 0.585 10 10 CCCE OC[C@@H]1COCC[C@H]1NCc1cccc(O)c1O 2072992710 ZXYYYHZWMFUAFG-GHMZBOCLSA-N 253.298 0.585 10 10 CCCE Cc1cc(CN)ccc1N1CC[C@@H](O)C[C@H]1CO 2080496502 PZCXAKDBEKLHQS-QWHCGFSZSA-N 250.342 0.776 10 10 CCCE CO[C@@H]1CNC[C@@H]1[C@H](O)c1ccc2c(c1)CCN2C 2106791454 RYLOWQSAFUNDEU-NWANDNLSSA-N 262.353 0.947 10 10 CCCE CNCc1ccc(N2C[C@H](O)[C@@H](N(C)C)C2)cc1C 2089923999 SDZSOSRRWUMICX-GJZGRUSLSA-N 263.385 0.826 10 10 CCCE Nc1ccc(CNC[C@@H]2CN3CCCN2CC3)cc1 2092528099 AWDFKJIAXPUGET-OAHLLOKOSA-N 260.385 0.748 10 10 CCCE CN(C(=O)CN1CC[C@@]1(C)CO)c1ccc(N)cc1 2097239649 XEQUTMWYUSSIBP-AWEZNQCLSA-N 263.341 0.688 10 10 CCCE C[C@H](O)c1ccc(N(C)[C@@H]2CC(=O)NC2=O)cc1O 2114726886 KQTFMYOWOUJQIS-OIBJUYFYSA-N 264.281 0.297 10 10 CCCE COc1cc(N2C[C@@]3(CO)C[C@]3(CO)C2)ccc1CO 2204555932 AVYXETOJYNIIJR-HUUCEWRRSA-N 279.336 0.369 10 10 CCCE COc1ccc(CN[C@@H]2CCC[C@@H](O)[C@H]2O)c(O)c1 2224352946 BUAYJFQJSXVJOK-BZPMIXESSA-N 267.325 0.765 10 10 CCCE C[C@@H](O)CN1CCN(c2ccc3c(c2)OCCO3)CC1 2235113022 LYEGAKMKJOEDTQ-GFCCVEGCSA-N 278.352 0.961 10 10 CCCE CCN1CCc2cc(N3CC(O)(C(N)=O)C3)ccc21 2226661775 MOBLDSJOIRLXDX-UHFFFAOYSA-N 261.325 0.105 10 10 CCCE Cc1cccc(CNC(=O)[C@@H]2CCOCCN2)c1O 2269873021 CKQDYIATVCZKQP-LBPRGKRZSA-N 264.325 0.695 10 10 CCCE NC(=O)C[C@H]1CCCN1C(=O)c1cccc(O)c1O 2270072532 ZJBXMYMPMRRXHX-MRVPVSSYSA-N 264.281 0.578 10 10 CCCE O=C(c1cccc(O)c1O)N1[C@H]2COC[C@H]1CC(O)C2 2285862944 XAOPRCZQMISLBU-RKDXNWHRSA-N 279.292 0.462 10 10 CCCE C[P@@]1(=O)C[C@@H](O)[C@H](NCc2ccc(O)cc2O)C1 2310006237 ZMVCJNFPYRABJU-QAMHXRKUSA-N 271.253 0.923 10 10 CCCE Cc1cc(CN)ccc1N1C[C@@H]2CS(=O)(=O)[C@H]2C1 2314954600 XBJYHHFBXCSKNG-YPMHNXCESA-N 266.366 0.687 10 10 CCCE C[C@@H](N)c1ccc(N2C[C@@H]3C[C@H]2[C@@H](O)[C@H]3O)c(F)c1 2329326760 RUGMTPBIQKQIKQ-UUGWQDNISA-N 266.316 0.776 10 10 CCCE Oc1ccc(CCNCC[C@@H]2CNCCO2)cc1O 2344669492 VEQCSDFYCLERLK-GFCCVEGCSA-N 266.341 0.608 10 10 CCCE Nc1ccc(N2CCN(CCN3CCOCC3)C2=O)cc1 54405004 VDSAYSJFSLWLLN-UHFFFAOYSA-N 290.367 0.843 10 10 CCCE C[C@]1(NCc2ccc(O)cc2O)CCS(=O)(=O)C1 36944652 UAURJPBYUACGQD-LBPRGKRZSA-N 271.338 0.765 10 10 CCCE COC(=O)[C@@H](C)S(=O)(=O)Nc1ccc(O)cc1 42537434 OVDYRTVURZDAJR-SSDOTTSWSA-N 259.283 0.695 10 10 CCCE N[C@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 41030261 CPKIQDZSAOSJGE-QMMMGPOBSA-N 292.295 0.853 10 10 CCCE COC[C@H](C)NC(=O)CNCc1ccccc1O 228415990 DYNDCHISBKURSP-JTQLQIEISA-N 252.314 0.633 10 10 CCCE CN(CCS(=O)(=O)N(C)C)c1ccc(N)cc1 383969698 KIRAWIBILWQYFK-UHFFFAOYSA-N 257.359 0.596 10 10 CCCE COC(=O)CS(=O)(=O)Nc1cc(C)c(O)cc1C 234535320 USECCZGUQLTKNM-UHFFFAOYSA-N 273.310 0.924 10 10 CCCE Nc1cc2c(cc1N1CC(=O)N[C@H]3CC[C@H]31)OCCO2 2168362602 MBIQVKWNQWJMNN-VHSXEESVSA-N 275.308 0.507 10 10 CCCE CNC(=O)[C@@H]1COCCN1c1ccc([C@@H](C)N)cc1F 723182847 MVRUPORHRFJNDC-RNCFNFMXSA-N 281.331 0.797 10 10 CCCE CO[C@@H](C)[C@@H](N)CC(=O)NCCc1ccc(O)c(O)c1 2165812086 LLRPLBZEAZCDBI-ONGXEEELSA-N 282.340 0.509 10 10 CCCE CCN[C@@H](C)C[C@@H](C)NC(=O)c1cc(O)nc(O)c1 721635270 XGCGYGFODSDGFK-DTWKUNHWSA-N 267.329 0.999 10 10 CCCE CC[C@H](O)CC(=O)OCC(=O)c1ccc(O)c(O)c1 837811941 WEFPSLVFKZEBDA-VIFPVBQESA-N 268.265 0.985 10 10 CCCE C[C@H](NS(=O)(=O)N1CCOCC1)c1ccccc1O 867834529 PRZFFDDFXMPBRL-JTQLQIEISA-N 286.353 0.620 10 10 CCCE CC(C)n1nnnc1C[C@@H](O)Cc1ccc(N)cc1 698812709 IICLFVWSTLUMLG-LBPRGKRZSA-N 261.329 0.982 10 10 CCCE Nc1ccc(NC(=O)N2CC[C@@H](CO)[C@@H](N)C2)cc1 1876162873 MJILELBHHJAEQA-CABZTGNLSA-N 264.329 0.442 10 10 CCCE CON1CC[C@@H](NC(=O)COc2ccc(N)cc2)C1 1876427031 PXJOHYOKTKYEDY-LLVKDONJSA-N 265.313 0.400 10 10 CCCE Nc1ccc(CCC(=O)N[C@H]2CNCCOC2)cc1 1876444294 PKWOKBBBAVPUIT-ZDUSSCGKSA-N 263.341 0.306 10 10 CCCE Nc1ccc(CC(=O)N2C[C@H](C(F)F)[C@@H](N)C2)cc1 1876449664 ROQMRUQNLVTCFI-QWRGUYRKSA-N 269.295 0.862 10 10 CCCE O=C(N[C@@H](CO)c1ccccn1)c1cccc(O)c1O 1141419845 JXHDRNIELQVJFF-NSHDSACASA-N 274.276 0.956 10 10 CCCE COC(=O)[C@@H](NCCN=[N+]=[N-])[C@@H]1OCCOC1(C)C 1889139904 BTULSQKBXLZMDY-IUCAKERBSA-N 272.305 0.622 10 10 CCCE NC(=O)[C@@H]1CCCN1S(=O)(=O)Cc1ccc(N)cc1 19994571 ZFNXDNLMHKUVNS-NSHDSACASA-N 283.353 0.048 10 10 CCCE Cc1ccc(O)c([C@H](N)C(=O)NCc2ncc[nH]2)c1 83439824 YGPFKKHYPMBDHC-LBPRGKRZSA-N 260.297 0.740 10 10 CCCE Oc1cc2c(cc1O)[C@@H]([C@@H]1CSCN1)NCC2 83724328 YMOACQPKJIPYIT-CABZTGNLSA-N 252.339 0.947 10 10 CCCE COCCN(C)S(=O)(=O)Cc1ccc(N)cc1 42272974 YEVWLAGGKBYPBJ-UHFFFAOYSA-N 258.343 0.677 10 10 CCCE CC(CO)(CO)NCc1ccc(Br)cc1O 691464095 DVWMYWWCRNQPHU-UHFFFAOYSA-N 290.157 0.988 10 10 CCCE CC1(O)CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 89646790 HKSTWTGBTIGEOK-UHFFFAOYSA-N 279.252 0.497 10 10 CCCE CN(C)C[C@@H]1C[C@@H](O)CN1CCOc1ccc(N)cc1 97244970 MHEOIDLTLABZEX-UONOGXRCSA-N 279.384 0.644 10 10 CCCE NC(=O)[C@H]1OCC[C@@H]1NCc1ccc(F)c(F)c1O 2117461513 ZCMQWEMQSGDRAQ-KWQFWETISA-N 272.251 0.403 10 10 CCCE O=C(NN1CCCNC1=O)c1c(F)ccc(O)c1O 1638548157 BKOLKLGEIOZKTE-UHFFFAOYSA-N 269.232 0.297 10 10 CCCE C[C@@]1(C(=O)NCc2c(O)cccc2O)CCC(=O)NC1 1645363086 MFDHZEWZXSEAQM-CQSZACIVSA-N 278.308 0.630 10 10 CCCE C[C@@]1(C(=O)NCc2cccc(O)c2O)CCCS1(=O)=O 1651175643 HIEZRYRWSVIHFW-ZDUSSCGKSA-N 299.348 0.681 10 10 CCCE CN(CCCN=[N+]=[N-])Cc1cc(=O)n2[nH]cnc2n1 1912181354 NDWNUSGQYKSKNE-UHFFFAOYSA-N 262.277 0.550 10 10 CCCE [N-]=[N+]=NC1CN(C(=O)[C@@H]2CC(=O)N(CC3CC3)C2)C1 1912195329 FIWYBUHTCVOUNB-SECBINFHSA-N 263.301 0.766 10 10 CCCE [N-]=[N+]=NCCCCNC(=O)[C@@H]1CO[C@H]2COC[C@H]12 1964943119 LPXOYPJKVRTZKB-BBBLOLIVSA-N 254.290 0.855 10 10 CCCE C[C@H]1CCN(c2ccc3c(c2)OCO3)C[C@@H](CO)N1 251670845 LNOBHYYCKIWXCQ-QWRGUYRKSA-N 264.325 0.964 10 10 CCCE CN(CCCO)c1ccc2c(c1)N(C)C(=O)CO2 258896493 CZGSNDXGTKFBAY-UHFFFAOYSA-N 250.298 0.860 10 10 CCCE CC(C)[C@@H](O)[C@H](C)NC(=O)c1cc(O)c(O)c(O)c1 2132350546 OIVLFAJBNVAKOD-WRWORJQWSA-N 269.297 0.939 10 10 CCCE O=C(N[C@H]1COC2CC1C2)c1cc(O)c(O)c(O)c1 2132400256 LPEMDIOWNWKNGG-DMBGQZSHSA-N 265.265 0.711 10 10 CCCE C[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)CC[C@@H]1N 2132414163 UNWOJIVXNVBYAM-APPZFPTMSA-N 266.297 0.613 10 10 CCCE Nc1ccc(OCC(=O)N2Cc3nc[nH]c3C2)cc1 2140902473 UGCCHRUCGDPVHC-UHFFFAOYSA-N 258.281 0.913 10 10 CCCE CCNCc1ccc(N2CC(CO)(CO)C2)c(C)c1 1914984013 GAHWCXMCXPSSIZ-UHFFFAOYSA-N 264.369 0.896 10 10 CCCE COCC[C@@]1(NC(=O)Cc2ccc(N)cc2)CCNC1 1967216779 ZYWUCUWNQURUTG-HNNXBMFYSA-N 277.368 0.696 10 10 CCCE NC[C@@]1(C(=O)NCCc2ccc(O)c(O)c2)CCCO1 1923247004 KIGJSTXKNMCPTG-CQSZACIVSA-N 280.324 0.264 10 10 CCCE COc1ccc(N2CCN(c3nnc(N)o3)CC2)cc1 235028575 SDDCYPDWDGVOEP-UHFFFAOYSA-N 275.312 0.987 10 10 CCCE CN(C(=O)CN(CCO)C1CC1)c1ccc(N)cc1 42478488 ZRVFPCCAGYMWIU-UHFFFAOYSA-N 263.341 0.688 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1C[C@H]2C=C[C@H]1C2 2146076833 BTVTZUHBNJQZJM-SRVKXCTJSA-N 274.320 0.755 10 10 CCCE CNC(=O)[C@H]1[C@@H](C)CCN1C(=O)c1cccc(O)c1O 2146447697 PMZQNHMMYDACBI-GZMMTYOYSA-N 278.308 0.694 10 10 CCCE CS(=O)(=O)CC1CN(c2ccc3c(c2)NC(=O)[C@H]3O)C1 2159451592 KNCLRTOLYPYYFK-LBPRGKRZSA-N 296.348 0.153 10 10 CCCE C[C@@H](CO)CS(=O)(=O)NCc1ccccc1O 2012038361 LMFGKXVSNAPPCC-VIFPVBQESA-N 259.327 0.440 10 10 CCCE C[C@@H](NCc1cccc(O)c1O)C1CS(=O)(=O)C1 2029387238 FWDFJRCHPQNGRR-MRVPVSSYSA-N 271.338 0.621 10 10 CCCE CC1(C)CN(C(=O)c2cc(O)nc(O)c2)[C@@H]1CO 2031674698 CTQKHRPQONFWDS-MRVPVSSYSA-N 252.270 0.336 10 10 CCCE O=C1NC(=O)[C@H](CCCNCc2c(O)cccc2F)N1 2160776930 VLAIAXDYMRNNCS-JTQLQIEISA-N 281.287 0.609 10 10 CCCE CN1CC[C@H](NC(=O)[C@H]2CNc3ccccc3N2)C1 300299592 STYSUXMBVOECKU-GXFFZTMASA-N 260.341 0.713 10 10 CCCE O=C1CC[C@@H](CNCc2cccc(O)c2O)CN1 2041473354 ZRBNIOAMHZDAKH-VIFPVBQESA-N 250.298 0.714 10 10 CCCE Nc1ccc(OCCS(=O)(=O)NCc2cnco2)cc1 2161956212 XARBSFYDDTUIHE-UHFFFAOYSA-N 297.336 0.755 10 10 CCCE CS(=O)(=O)NC1CCN(CCc2ccc(N)cc2)CC1 702958672 QWJGKVAXQDVYOJ-UHFFFAOYSA-N 297.424 0.825 10 10 CCCE NC(=O)COCCNCc1ccc(F)c(F)c1O 703377991 IYQRZCJLAZCJBZ-UHFFFAOYSA-N 260.240 0.262 10 10 CCCE NCc1ccc(N2C[C@H]3C(=O)NC(=O)[C@@H]3C2)c(Cl)c1 387004452 QINMRZLEGUTSKH-RKDXNWHRSA-N 279.727 0.508 10 10 CCCE Nc1ccc(CC(=O)N[C@H]2CCN(CC(=O)O)C2)cc1 2169279819 BSFSNGOYOVMSCR-LBPRGKRZSA-N 277.324 0.086 10 10 CCCE CN1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc(O)c(O)c1 1270577582 XWYWUESEVAJVQP-TXEJJXNPSA-N 276.336 0.945 10 10 CCCE O=C(NC1(C(=O)O)CCCC1)c1cc(O)c(O)c(O)c1 2188868673 VEPNGOICFVLCEH-UHFFFAOYSA-N 281.264 0.931 10 10 CCCE O=C(O)CC1(NC(=O)c2cc(O)c(O)c(O)c2)CCC1 2188868564 SWEMSECYFBRBIC-UHFFFAOYSA-N 281.264 0.931 10 10 CCCE O=C(O)C1=CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1 2188867732 FVXVQILHDYRMCO-UHFFFAOYSA-N 279.248 0.660 10 10 CCCE CO[C@H]1COC[C@@H]1N(C)C(=O)c1cc(O)c(O)c(O)c1 2188919358 MEGXPOIPTGJOCI-KWQFWETISA-N 283.280 0.289 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3CCC=C[C@H]3CO)cc21 2182333812 VSZLTDOFLBJWTM-SMDDNHRTSA-N 273.336 0.790 10 10 CCCE CN1[C@@H](CN2CCc3cc(CN)ccc32)CCS1(=O)=O 2189913791 ZYXNGCTYGJLWBZ-CYBMUJFWSA-N 295.408 0.542 10 10 CCCE C[C@H]1C(=O)NC(=O)CN1c1ccc2c(c1)CCC[C@H]2O 2184686529 IKLJJBJGVGAGJL-TVQRCGJNSA-N 274.320 0.908 10 10 CCCE Nc1ccc(CS(=O)(=O)NCc2cnco2)cc1 2043705441 SNYPQPUWEJNKEY-UHFFFAOYSA-N 267.310 0.876 10 10 CCCE NC[C@H]1C[C@@]2(CCN2S(=O)(=O)Cc2ccc(N)cc2)C1 2191644200 UGHOJYYVMKHACS-MQMHXKEQSA-N 295.408 0.912 10 10 CCCE NC[C@H]1CN(C(=O)COc2ccc(N)cc2)CCCO1 2191730766 NZYCBEQVUVXVCJ-ZDUSSCGKSA-N 279.340 0.224 10 10 CCCE Nc1ccc(OCCC(=O)NC[C@@]2(N)CCOC2)cc1 2191749088 DLGRDLYKIFWEQR-AWEZNQCLSA-N 279.340 0.272 10 10 CCCE Nc1ccc(OCCC(=O)NC[C@@H]2[C@H]3CNC[C@H]32)cc1 2191720832 SPOFNJLLKFNGNL-WDNDVIMCSA-N 275.352 0.619 10 10 CCCE N=S1(=O)CC2(CN(C(=O)COc3ccc(N)cc3)C2)C1 2191901367 YBTJJVQETGIZBY-UHFFFAOYSA-N 295.364 0.537 10 10 CCCE O=C(O)C[C@H]1COC[C@@H]1NC(=O)c1ccc(O)c(O)c1 2187925237 GRBOJLDJZMCRTQ-IUCAKERBSA-N 281.264 0.317 10 10 CCCE C[C@H](O)c1ccc(N2CC[C@@H](O)[C@H](O)C2)cc1O 2068407496 RZRFHOQTHYJOSM-RLCGTCKNSA-N 253.298 0.377 10 10 CCCE OCc1cc(F)c(N2CC[C@@H](O)[C@H](O)C2)c(F)c1 2068405066 CWRAJKSQHDPSLJ-GHMZBOCLSA-N 259.252 0.389 10 10 CCCE NCc1ccc(N2CCO[C@H]3COC[C@H]32)c(F)c1 2072512140 BCEMVNTXOMSQLX-OLZOCXBDSA-N 252.289 0.888 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1[C@H]2COC[C@H]1C2 2077856760 PNPKQASHRADUTB-HTQZYQBOSA-N 251.238 0.417 10 10 CCCE COc1ccc(CNC[C@@H]2C[C@@H](CO)CO2)c(O)c1 2101331387 KGFCYYIFPIXHTE-GWCFXTLKSA-N 267.325 0.888 10 10 CCCE Cc1cc(N2CC[C@H](O)[C@@](C)(O)C2)ccc1CN 2081720398 BXZWDDBNRNEQDE-KBPBESRZSA-N 250.342 0.776 10 10 CCCE NN[C@H](c1ccc2nncn2c1)c1ccccc1O 2103597054 JTNSDQIJPRTITL-CYBMUJFWSA-N 255.281 0.988 10 10 CCCE Cc1cc(CO)ccc1N1C[C@H](O)[C@H](O)[C@H]1CF 2084797055 GLPWKJWUXITJQV-FRRDWIJNSA-N 255.289 0.367 10 10 CCCE NC[C@]1(O)CCCN(c2ccc3c(c2)OCCO3)C1 2106351322 NPNVLMAEQQBTKV-CQSZACIVSA-N 264.325 0.748 10 10 CCCE CC[C@@H](O)CN(C)c1ccc2c(c1)N(C)C(=O)[C@H]2O 2106613621 MOLLXOUHKHZTOZ-MFKMUULPSA-N 264.325 0.904 10 10 CCCE CCNCc1ccc(N2C[C@H](CO)C[C@H]2CO)cc1 2089867247 BMUMHIBZZXWPQJ-HIFRSBDPSA-N 264.369 0.976 10 10 CCCE O=C(CN1C[C@@H]2C[C@@]2(CO)C1)c1ccc(O)c(O)c1 2090122743 WIAKFEXHYZYNLC-HZMBPMFUSA-N 263.293 0.595 10 10 CCCE CN1CCN(c2cc3c(cc2N)OCCO3)[C@@H]2C[C@@H]21 2112076784 ILEHRIHUXBLOGG-NWDGAFQWSA-N 261.325 0.933 10 10 CCCE COCCN1C[C@H](O)[C@H](N2CCC[C@H]2CN=[N+]=[N-])C1 2123007729 FAZLKUFUVAZIPF-TUAOUCFPSA-N 269.349 0.453 10 10 CCCE COc1cc(N2CCN(CCCO)CC2)ccc1CO 2204541679 QKHFITQXIWNETF-UHFFFAOYSA-N 280.368 0.692 10 10 CCCE COc1ccc(N2CC(=O)N[C@H](C)C2)c(CO)c1 2220429009 NJZSCTIZCYZFHV-SECBINFHSA-N 250.298 0.512 10 10 CCCE COc1ccc(N2CC3(C2)OCCC[C@@H]3O)c(CO)c1 2236003726 TVPKTENUSOHZSV-AWEZNQCLSA-N 279.336 0.918 10 10 CCCE OC[C@@H]1C[C@H](O)CN1c1ccc2c(c1)OCCCO2 2226799641 PAGBNZQMLBLDAI-RYUDHWBXSA-N 265.309 0.780 10 10 CCCE CN(C)C[C@@H]1C=CCN1C(=O)c1cc(O)c(O)c(O)c1 2238697503 HCHSVFLIOCMICJ-JTQLQIEISA-N 278.308 0.746 10 10 CCCE CN(C)c1ccc(O[C@](CN)(CF)C(=O)O)cc1 2253986081 PKNPLSODJMSEEG-LBPRGKRZSA-N 256.277 0.883 10 10 CCCE Cc1nn(C)nc1[C@@H](N)[C@H](O)c1ccc(N(C)C)cc1 2290306398 RQIFJKOJQICNTK-TZMCWYRMSA-N 275.356 0.923 10 10 CCCE CC1(C)C(=O)NC[C@@H]1NC(=O)Nc1ccc(N)cc1 2266447470 SCKZDLDDSDFHPE-JTQLQIEISA-N 262.313 0.915 10 10 CCCE Cc1ccc([C@H](C)NCC2(O)CS(=O)(=O)C2)c(O)c1 2267902847 XQKLEARFSRJPEJ-JTQLQIEISA-N 285.365 0.511 10 10 CCCE Cc1cc(N2CC[C@H](S(=O)(=O)N(C)C)C2)ccc1CO 2279267796 MXTHMGZYQUXNBQ-AWEZNQCLSA-N 298.408 0.957 10 10 CCCE CNCc1cc(OC)ccc1N1CC[C@H](O)[C@@H](O)CC1 2284536545 GFGGTLRXVCQEEX-GJZGRUSLSA-N 280.368 0.737 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)[C@@H]1[C@H]2CNCC[C@H]21 2296537895 AJCVDTFWARNQBZ-SUNKGSAMSA-N 276.336 0.612 10 10 CCCE C[C@H](N)c1ccc(N2CC3(CNC(=O)CO3)C2)c(F)c1 2289733836 VDZUNYOXLSUPGB-VIFPVBQESA-N 279.315 0.551 10 10 CCCE N[C@H](C(=O)C(=O)C[C@H]1C[C@H](N)C1)[C@@H]1C[C@@H]2C[C@@H]2C1 2309508584 WDDHDSPRCXXBTN-NTWGFAFESA-N 250.342 0.625 10 10 CCCE COc1ccc(N2CC([C@H](O)CO)C2)c(OC)c1 2315277873 HCPNAXWSVLEIBW-GFCCVEGCSA-N 253.298 0.493 10 10 CCCE NCC[C@@H](O)CN1CCc2cc(O)c(O)cc2C1 2318670525 BCTJUZXQWYGATC-LLVKDONJSA-N 252.314 0.166 10 10 CCCE CNCc1ccc(N2C[C@@H]3C[C@H]2[C@H](O)[C@@H]3O)cc1Cl 2329330401 JWNUAECDRKGSJT-WTDIUWLJSA-N 282.771 0.990 10 10 CCCE O=C(N[C@H]1C[C@@H](CO)[C@H]2C[C@@H]12)c1ccc(O)c(O)c1 2329880751 YWIJIQBMOIZORU-ZDCRXTMVSA-N 263.293 0.845 10 10 CCCE NC[C@H]1C[C@@H]2CC[C@H]1N2C(=O)c1cc(O)nc(O)c1 2330486447 UZMSOQVBTBWJQZ-KXUCPTDWSA-N 263.297 0.445 10 10 CCCE O=C(CN1C[C@@H]2C[C@@H](O)[C@H]1C2)c1ccc(O)c(O)c1 2330779215 JDUUJDBMAUQLSE-MKPLZMMCSA-N 263.293 0.736 10 10 CCCE NCc1ccc(N2CC[C@@H]3C[C@H]2[C@@H](O)[C@@H]3O)c(F)c1 2332598416 DMQXAMSDNKVJGN-GJQVQUKXSA-N 266.316 0.605 10 10 CCCE C[C@]1(NC(=O)c2ccc(O)c(O)c2)CNCC1(F)F 2336405637 PFYLYDIMVRGHPA-NSHDSACASA-N 272.251 0.825 10 10 CCCE OC[C@@H](O)C1CN(c2ccc(CNC3CC3)cc2)C1 2336782594 HCNKLBKOKJTYSE-OAHLLOKOSA-N 262.353 0.728 10 10 CCCE O=C(O)CCN(CCO)C(=O)c1cccc(O)c1O 2342716887 JYWPIPPEIKHIPP-UHFFFAOYSA-N 269.253 0.007 10 10 CCCE COC(=O)CN(C)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 50069683 VGMBGWOKYFIMKX-UHFFFAOYSA-N 295.251 0.535 10 10 CCCE Nc1ccc(OCC(=O)N[C@@H]2CCCOC2)cc1 103962066 MICUXTPVYDYSOO-LLVKDONJSA-N 250.298 0.943 10 10 CCCE COc1cccc(CNN2CCN(C)CC2)c1O 214391077 VZIZIHLEZXZNSL-UHFFFAOYSA-N 251.330 0.653 10 10 CCCE COc1ccc(O)c(CNC2CCN(CC(N)=O)CC2)c1 37140324 HQYAQXJQWKRODP-UHFFFAOYSA-N 293.367 0.440 10 10 CCCE COC(OC)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 79609465 FORDNEODRIGNCJ-WPRPVWTQSA-N 298.339 0.091 10 10 CCCE CN(CC(=O)c1ccc(O)c(O)c1)CC(=O)N1CCCC1 49934179 HJBMNDBSRTXRLA-UHFFFAOYSA-N 292.335 0.835 10 10 CCCE COC[C@H](O)CNCc1ccc2c(c1)CCN2C 71264264 GCMRHEGRJSHTME-CYBMUJFWSA-N 250.342 0.776 10 10 CCCE C[C@@H](N)[C@H]1CN(Cc2ccc(O)cc2O)CCO1 132532177 MOGRVWBDNKXFSM-NOZJJQNGSA-N 252.314 0.646 10 10 CCCE C[C@H](NCCOCC(N)=O)c1cc(F)ccc1O 230053552 MYTYIARPHUKSEM-QMMMGPOBSA-N 256.277 0.684 10 10 CCCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCCO2)c1 273175743 FWGNWQMUZPYDJR-UHFFFAOYSA-N 286.309 0.541 10 10 CCCE CCCN(CC(N)=O)c1ccc2c(c1)NC(=O)[C@@H]2NC 723165727 GFYHRTZHUOAKTK-CYBMUJFWSA-N 276.340 0.601 10 10 CCCE Cc1ccc(C(=O)N[C@H]2C[C@@H](C(N)=O)C2)c(O)c1O 846438135 ATJXRORVMAUKFL-OCAPTIKFSA-N 264.281 0.400 10 10 CCCE CN(C)c1ccc([C@@H](Cc2nnnn2C)NN)cc1 698541518 QRUHOFHVOQLTIP-LLVKDONJSA-N 261.333 0.023 10 10 CCCE O=C(CCn1cncn1)N1Cc2cccc(O)c2C1 871198645 LTGDEURIWAURBM-UHFFFAOYSA-N 258.281 0.916 10 10 CCCE C[C@H]1NCC[C@@H]1NC(=O)CCOc1ccc(N)cc1 1876522985 IELYILYUNIMHGF-MFKMUULPSA-N 263.341 0.904 10 10 CCCE C[C@@H](c1ccccc1O)N(C)C(=O)[C@H]1CNCCN1 1877518270 SDFSFIGETMGBPJ-CMPLNLGQSA-N 263.341 0.473 10 10 CCCE COC(=O)[C@]1(O)CCN(Cc2cc(F)cc(F)c2O)C1 895702131 HUTQVMCEDJXHQA-ZDUSSCGKSA-N 287.262 0.780 10 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263.341 0.441 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CC[C@@H]2[C@H](O)C[C@H]2C1 2224583125 GHPPSVHZHNHRPB-JBLDHEPKSA-N 263.293 0.941 10 10 CCCE O=C([C@@H]1CNc2ccccc2N1)N1C[C@H](O)C[C@@H](F)C1 2234679279 JZUYUGBUJLIFDF-BREBYQMCSA-N 279.315 0.824 10 10 CCCE COc1ccc(N2CCN3C(=O)OC[C@H]3C2)c(CN)c1 2235959348 PDFZJXFMTJDBEF-LLVKDONJSA-N 277.324 0.795 10 10 CCCE c1cc2c(cc1N1CCNCCNCC1)OCCCO2 2236198260 XBJCVTLUXPARDG-UHFFFAOYSA-N 277.368 0.847 10 10 CCCE COc1ccc(N2C[C@@H](CO)C[C@@H]2CO)c(C=O)c1 2227691744 DJMOUHGBJDLMEN-CMPLNLGQSA-N 265.309 0.687 10 10 CCCE COc1ccc(N2C[C@@H](C)OC3(CNC3)C2)c(N)c1 2272833399 IRJQNECVSROPDP-SNVBAGLBSA-N 263.341 0.845 10 10 CCCE Cc1cc(N2C[C@H](O)[C@H](O)[C@H]2CF)ccc1[C@H](C)N 2269660934 BUNFFGMYYDJJNS-GSVCSZOMSA-N 268.332 0.895 10 10 CCCE NC(=O)C[C@H]1CCCN1C(=O)c1ccc(O)c(O)c1 2270085122 HBEQUWCRNIWJQE-SECBINFHSA-N 264.281 0.578 10 10 CCCE O=C(N[C@@H]1C[C@@]12C[C@@H]2C(=O)O)c1cc(O)c(O)c(O)c1 2283280010 LKQBDJUVNXGFJK-CIQYLNAISA-N 279.248 0.396 10 10 CCCE Nc1ccc(O)c(CN2C[C@@H]3CC[C@@H](CO)O[C@@H]3C2)c1 2289173479 PNSVVVRYRHWYRH-VZJVUDMVSA-N 278.352 0.946 10 10 CCCE COC(=O)[C@@H](NCCN=[N+]=[N-])[C@@H]1C[C@@H]2CC[C@H]1O2 2309368974 VQFXAUNMKBAEKO-JLIMGVALSA-N 254.290 0.995 10 10 CCCE C[C@@H](N)c1ccc(N2C[C@@H]3[C@H](C2)CS3(=O)=O)cc1 2314780323 GBZCRVRRTGDKFG-IRUJWGPZSA-N 266.366 0.940 10 10 CCCE C[C@@H](NC(=O)[C@@H]1C[C@@H](O)CCN1)c1ccccc1O 2332173060 PMFKEAPIBWGZDG-SCVCMEIPSA-N 264.325 0.682 10 10 CCCE COC[C@H]1[C@@H](O)[C@@H](O)CN1c1ccc2c(c1)CCO2 2333689744 PWEPLKWNSRZRRL-SGMGOOAPSA-N 265.309 0.178 10 10 CCCE CCNC(=O)[C@H](C)N1CCc2cc(O)c(O)cc2C1 2341214616 MRDLTLHKYRTRRB-VIFPVBQESA-N 264.325 0.981 10 10 CCCE C[C@@H](N)c1ccc(N2C[C@@H]3C[C@H](O)[C@H](O)[C@@H]2C3)cc1O 2355336977 XEBONLPBMDZBOY-LYSHGNGDSA-N 278.352 0.732 10 10 CCCE CNC(=O)[C@H]1CCCCN1CC(=O)c1ccc(O)c(O)c1 50147642 GNWJNHXHJWIKDO-LLVKDONJSA-N 292.335 0.881 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@H]2CC[C@@H]3C[C@]23CO)cc1 2356906329 UQGXWUWQFOFZMP-KWCYVHTRSA-N 296.392 0.849 10 10 CCCE C[C@H](O)c1ccc(N2CC[C@@H]3C[C@H]2[C@H](O)[C@@H]3O)cc1O 2357586507 ZKGFDECSDZJBSY-YBYFASJGSA-N 279.336 0.766 10 10 CCCE C[C@H]1COCCN1S(=O)(=O)Cc1ccc(N)cc1 35773829 AXBMORJMZFOIDZ-JTQLQIEISA-N 270.354 0.819 10 10 CCCE COCCCS(=O)(=O)Nc1ccc(O)cc1C(=O)O 71235080 WECZOCMGOHXNQI-UHFFFAOYSA-N 289.309 0.869 10 10 CCCE COCC[S@@](=O)[C@H](C)C(=O)Nc1ccc(N)cc1 40970635 HYSLIGWTIDRBRW-LZVRBXCZSA-N 270.354 0.991 10 10 CCCE C[C@H](C(=O)O)S(=O)(=O)Nc1ccc(O)c(F)c1 85201040 QCLLZPBQHNLUJG-RXMQYKEDSA-N 263.246 0.746 10 10 CCCE CC(=O)C(=O)COC(=O)c1ccc2nnn(C)c2c1 808537291 WIIOJIWDVRPCBS-UHFFFAOYSA-N 261.237 0.283 10 10 CCCE CN(C)CCN1CCN(C(=O)c2cc(O)cs2)CC1=O 846658454 DGNWKFATGRNVQB-UHFFFAOYSA-N 297.380 0.300 10 10 CCCE NC(=O)C[C@@H]1CN(C(=O)Nc2ccc(N)cc2)CCO1 1118901925 CYUXCCBLLLFSTB-LLVKDONJSA-N 278.312 0.377 10 10 CCCE OCC1(NCc2ccc3c(c2)CCCO3)CC(O)C1 1879555111 LFFRBWMFTXSARS-UHFFFAOYSA-N 263.337 0.987 10 10 CCCE COc1ccc(N(C)C[C@@H](NC(C)C)C(N)=O)cc1 49972130 SXQXZNAEBIAOEW-CYBMUJFWSA-N 265.357 0.983 10 10 CCCE COC(=O)[C@@H](O)CNCc1cccc(OC)c1O 83408761 SYJHQJZEXDVEAY-VIFPVBQESA-N 255.270 0.024 10 10 CCCE CC(=O)N[C@@H](CC(=O)O)[C@@H]1NCCc2cccc(O)c21 83659586 VOKQWPLZSUYRTM-HZMBPMFUSA-N 278.308 0.558 10 10 CCCE CNCc1ccc(N2C[C@H](CO)OC[C@H]2C)cc1 168230142 ZDROGTLYMNRXLQ-BXUZGUMPSA-N 250.342 0.992 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3C[C@@H](C)[C@H](CO)C3)ccc21 709227776 VULWZKCABXMKBQ-BFVZDQMLSA-N 275.352 0.964 10 10 CCCE CN(C)C[C@@H](O)CN(C)c1ccc2c(c1)NC(=O)[C@H]2O 690318432 UTIWGDMJFYKPOR-MFKMUULPSA-N 279.340 0.031 10 10 CCCE CN(C)c1ccc(CNC(=O)[C@@H]2CC[C@@H](CN)O2)cc1 94570177 POHZVGQMFJYAHT-KBPBESRZSA-N 277.368 0.875 10 10 CCCE O=C(O)[C@H]1CCCCN1C(=O)c1cc(O)c(O)c(O)c1 1866303118 MEWMCRILBFHXFG-MRVPVSSYSA-N 281.264 0.883 10 10 CCCE COc1ccc2c(c1)S(=O)(=O)[C@H](C(=O)O)[C@H](C)N2C 211110837 IVCFHAALLBUVPQ-CPCISQLKSA-N 285.321 0.760 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1C[C@@H](CCO)C1 1907339395 BJSCTJAVIMCLGC-PHIMTYICSA-N 265.309 0.918 10 10 CCCE COC(=O)[C@H]1CN(C(C)=O)C[C@H]1c1ccc(O)c(O)c1 1614807665 PSFVVWDJPRRKGT-QWRGUYRKSA-N 279.292 0.833 10 10 CCCE O=C(/C=C\Cn1cncn1)NCc1cccc(O)c1O 1558161082 GCFMBYBNMGLLDZ-DJWKRKHSSA-N 274.280 0.562 10 10 CCCE N=C1NC(=O)[C@@H](CC(=O)NCc2c(O)cccc2O)S1 1652623094 NJCXTUZJKSEXGO-SECBINFHSA-N 295.320 0.270 10 10 CCCE [N-]=[N+]=NC1CN(C(=O)[C@@H]2CCCN2C(=O)C2CC2)C1 1912158979 BPHGKQRZDKLUNW-JTQLQIEISA-N 263.301 0.909 10 10 CCCE O=C1Nc2cc(N3CCC=C[C@@H]3CO)ccc2[C@H]1O 2125938231 YSUTZWQRPGZNBG-ZWNOBZJWSA-N 260.293 0.799 10 10 CCCE C[C@@H]1[C@@H](O)CN1S(=O)(=O)CCOc1ccc(N)cc1 2126118781 GCNHMQHTUFDKMP-SKDRFNHKSA-N 286.353 0.042 10 10 CCCE NC(=O)[C@H]1CC[C@@H](NC(=O)NCc2ccccc2O)C1 1686760035 ZKERCOLGKMKSII-GXSJLCMTSA-N 277.324 0.845 10 10 CCCE CN[C@H]1CCc2cc(N(C)CC(CO)CO)ccc21 2128299085 STBIAZHVDHAYBF-HNNXBMFYSA-N 264.369 0.930 10 10 CCCE CN[C@H]1CCc2cc(N3C[C@@H](O)C[C@@H](O)C3)ccc21 2128294316 KIFURMGGFNVSJJ-GUTXKFCHSA-N 262.353 0.825 10 10 CCCE CN1CCN[C@@H](CN(C)c2ccc3c(c2)CCO3)C1 258880217 IXQBLYODFMRGOA-CYBMUJFWSA-N 261.369 0.961 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1C[C@H]2C[C@H](O)C[C@H]2C1 2128648633 QNQOPUSQPKWGOY-URLYPYJESA-N 263.293 0.941 10 10 CCCE CCCNC1CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2132407344 OUGOVGADGMPDKE-UHFFFAOYSA-N 266.297 0.627 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N3C[C@H](O)C3(C)C)ccc21 2136628951 FTHLAJKKXCPWSU-NWDGAFQWSA-N 261.325 0.859 10 10 CCCE CNC(=O)[C@@H]1CCCN1c1ccc(CN)c(OC)c1 2139702208 HTUQQCQUCHCZEZ-LBPRGKRZSA-N 263.341 0.869 10 10 CCCE C[C@@H](N[C@H]1CCC(=O)N(C)C1=O)c1c(O)cccc1O 235206556 SWCAZKLTXKWCKK-BDAKNGLRSA-N 278.308 0.896 10 10 CCCE C[C@@H]1CN(C[C@H](O)COc2ccc(N)cc2)CC[C@H]1O 253204210 VOUSXNSXACJXPU-OSAQELSMSA-N 280.368 0.711 10 10 CCCE C[C@@H](CNC(=O)COc1ccc(N)cc1)c1ncon1 2143914759 PZIANGJFGKCLGO-VIFPVBQESA-N 276.296 0.951 10 10 CCCE COC(=O)[C@@]1(O)CCN(C)c2ccc(OC)cc21 259677015 FPEKHBNJKQNNHH-CYBMUJFWSA-N 251.282 0.896 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)[C@]12C[C@@H]1CCCN2 2148020728 ORPUSSPSIXZWDG-NHYWBVRUSA-N 276.336 0.899 10 10 CCCE C[C@@H](N)c1ccc(N2CC[C@@H](OCC(N)=O)C2)c(F)c1 2145369169 BEIZXMTXTBLSHE-MWLCHTKSSA-N 281.331 0.926 10 10 CCCE C[C@@H]1C[S@](=O)CCN1Cc1cc(N)ccc1O 2004528935 IQUPPNKGZBLSCZ-VVVCHXIZSA-N 254.355 0.927 10 10 CCCE Nc1ccc(CS(=O)(=O)NCCn2ccnc2)cc1 41118917 DJJJEDJYWSBFRV-UHFFFAOYSA-N 280.353 0.585 10 10 CCCE COC[C@]1(O)CCCN(C(=O)Cc2ccc(N)cc2)C1 2151835847 ALCYZAAMUVJUTF-HNNXBMFYSA-N 278.352 0.811 10 10 CCCE COCCNS(=O)(=O)NCC1(CN=[N+]=[N-])CC1 2006019179 SQQHZHCNLSTZON-UHFFFAOYSA-N 263.323 0.147 10 10 CCCE C[C@@H]1[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)c(O)c2)C1(F)F 2153778958 FGNOSPDNKVOALY-CDOJRTKCSA-N 286.278 0.737 10 10 CCCE C[C@@H]1[C@H](NC(=O)[C@@H](N)Cc2ccc(O)c(O)c2)C1(F)F 2153778961 FGNOSPDNKVOALY-ZYAQMDEOSA-N 286.278 0.737 10 10 CCCE CN(C(=O)Cc1ccc(N)cc1)[C@@H]1CS(=O)(=O)C1(C)C 2153847633 CTNAZQSMTZNPMY-GFCCVEGCSA-N 296.392 0.845 10 10 CCCE NC(=S)CCNC(=O)c1cc(O)c(O)c(O)c1 2015119196 HVLGGHWBAGQBNB-UHFFFAOYSA-N 256.283 0.209 10 10 CCCE C[C@@H](N)[C@H]1CCCN1C(=O)c1cc(O)nc(O)c1 2032069477 YGKWXSOECUZKPT-VXNVDRBHSA-N 251.286 0.445 10 10 CCCE CN(Cc1ccccc1O)S(=O)(=O)C1CC(N)C1 2033426095 SLVJWAIXBCLOQP-UHFFFAOYSA-N 270.354 0.644 10 10 CCCE O=C(O)/C=C/CNC(=O)Cc1ccc(O)c(O)c1 2036171043 UNELMIBIAKOSGX-OWOJBTEDSA-N 251.238 0.397 10 10 CCCE OC[C@@H]1CO[C@@H](CNCc2ccc(O)cc2O)C1 2039813598 MDIILGRGOZHAFN-BXKDBHETSA-N 253.298 0.585 10 10 CCCE Cn1nccc1[C@H](N)C(=O)NCc1ccccc1O 403024396 YTJWWDDYVVPGGX-LBPRGKRZSA-N 260.297 0.442 10 10 CCCE CO[C@]1(CO)CCN(C(=O)COc2ccc(N)cc2)C1 403051501 LOYGDBPSLNAZTQ-CQSZACIVSA-N 280.324 0.257 10 10 CCCE NC[C@H]1CN(Cc2ccc(O)c(O)c2)CCCO1 313379962 OHGCDBDNSURSAG-NSHDSACASA-N 252.314 0.647 10 10 CCCE CNCc1ccc(N2CC[C@@](O)(CO)C2)cc1Cl 314411277 PNOCNXBNDMOZKN-ZDUSSCGKSA-N 270.760 0.993 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3CC(C)(N(C)C)C3)cc21 2160658639 RFSAPQLPUYAORB-CYBMUJFWSA-N 274.368 0.803 10 10 CCCE C[C@H]1CCNC(=O)[C@@H]1CNCc1ccc(O)c(O)c1O 2159280414 JHBJSQHWIAFQON-WCBMZHEXSA-N 280.324 0.665 10 10 CCCE O=C1Nc2cc(N3CC(O)(C(F)F)C3)c(F)cc2[C@@H]1O 2172115470 RSEPBARVRLSCLE-VIFPVBQESA-N 288.225 0.627 10 10 CCCE C[C@H]1CN(C(=O)c2cc(O)nc(O)c2)C[C@@H](C)C1=O 701230584 XBVFXHIERMFTOP-OCAPTIKFSA-N 264.281 0.790 10 10 CCCE COC[C@@H](CF)NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 2173287742 IRNWZJHZQUXPIU-ZJUUUORDSA-N 286.303 0.068 10 10 CCCE CCNC(=O)C[S@@](=O)[C@H](C)C(=O)Nc1ccc(N)cc1 379844456 LALDKUAGFORPFP-GSDQLPOLSA-N 297.380 0.481 10 10 CCCE CCNCc1ccc(N2CC[C@@](O)(C(N)=O)C2)cc1Cl 380404672 ROGQWWMWROHAIG-AWEZNQCLSA-N 297.786 0.876 10 10 CCCE CCc1nc(CNC(=O)c2ccc(O)c(O)c2)n[nH]1 392616715 MZLGOLUTSNCFLS-UHFFFAOYSA-N 262.269 0.708 10 10 CCCE CCn1cc([C@@H](NCCN=[N+]=[N-])C(=O)OC)nn1 714417241 LUFOPLSUTHFWAW-MRVPVSSYSA-N 253.266 0.412 10 10 CCCE CN(C[C@@H]1CCNC1)C(=O)c1cccc(O)c1O 382769973 BLIUCHTUCNEDAD-SECBINFHSA-N 250.298 0.779 10 10 CCCE O=C(NC[C@@H]1CCO[C@@H]1C(=O)O)c1ccc(O)c(O)c1 715127728 GNBVZHWCEPAFJR-KWQFWETISA-N 281.264 0.317 10 10 CCCE C[C@@H]1CN(CCC(=O)Nc2ccc(N)cc2)C[C@@H]1O 387597628 QBIMQKGISLBYBG-MFKMUULPSA-N 263.341 0.910 10 10 CCCE COc1ccc(N2C[C@@H](O)C[C@@]2(C)CO)c([N+](=O)[O-])c1 698144305 DKYIZQPNXMSSEV-ZANVPECISA-N 282.296 0.925 10 10 CCCE CO[C@@H]1C[C@H](CO)N(C(=O)c2ccc(O)c(O)c2)C1 388805061 UNNVIYQCTLOCNJ-NXEZZACHSA-N 267.281 0.320 10 10 CCCE Nc1ccc(CC(=O)N[C@]2(CO)CCOC2)cc1 393899609 GKZFCZYFQDZMFG-ZDUSSCGKSA-N 250.298 0.079 10 10 CCCE C[C@@H]1CN(CCCOc2ccc(N)cc2)CC(=O)N1 395710791 PTVYASOCRFFFCI-LLVKDONJSA-N 263.341 0.858 10 10 CCCE NC(=O)[C@@H]1CCCC[C@@H]1NCc1ccc(O)c(O)c1O 2174105891 DKUILTJHPOPAGV-ZJUUUORDSA-N 280.324 0.937 10 10 CCCE CC1(C)[C@@H](O)[C@@H](O)CN1CC(=O)c1ccc(O)c(O)c1 2181218448 YKEPVSGGUBFUES-STQMWFEESA-N 281.308 0.097 10 10 CCCE O=C(O)C[C@H](CNC(=O)c1cc(O)nc(O)c1)C(F)F 2180043016 ZUYHNWDUCHCFBQ-ZCFIWIBFSA-N 290.222 0.579 10 10 CCCE NC[C@@H]1[C@H]2CCN(C(=O)c3cc(O)c(O)c(O)c3)C[C@@H]12 2188927032 CAKZOBKPWTZYMI-OPRDCNLKSA-N 278.308 0.470 10 10 CCCE NCc1ccc2c(c1)CCN2CCOCCOCCO 2189926200 LGAGJPHASWOLFW-UHFFFAOYSA-N 280.368 0.533 10 10 CCCE CNC(=O)[C@@H]1COCCN1c1ccc2c(c1)CC[C@@H]2N 2184743484 KNQRWNIMRMRHLB-KBPBESRZSA-N 275.352 0.584 10 10 CCCE Cc1cc(N2CC([C@@H]3NC(=O)NC3=O)C2)ccc1CN 2184960439 RXHYSZGTRSYIKM-LBPRGKRZSA-N 274.324 0.098 10 10 CCCE Nc1ccc(CC(=O)N[C@@H]2[C@H]3C[C@@H]4CN[C@@H]2[C@H]4C3)cc1 2191664401 VCNGUZUMZLYULW-BOOVAVIHSA-N 271.364 0.924 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1C[C@@H](F)[C@@H](CO)C1 2056997264 DUGXOJHPHDVUHN-RKDXNWHRSA-N 255.245 0.500 10 10 CCCE NC[C@@H](CC(=O)C(=O)C[C@H]1C[C@H](N)C1)C(F)(F)F 2059447387 QGGMJKYCFIKKPW-BWZBUEFSSA-N 266.263 0.779 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@H]2CCN[C@H]2C2CC2)cc1 2196383440 PVZDYDAQSCGNRM-KGLIPLIRSA-N 295.408 0.829 10 10 CCCE N[C@@H]1CC(c2nc(-c3ccc(O)c(O)c3)no2)=C[C@H]1O 2188026334 LFWRKAJFTUWBKM-PSASIEDQSA-N 275.264 0.623 10 10 CCCE CCCONS(=O)(=O)CCOc1ccc(N)cc1 2071732122 ZAABRHRTSJPNTI-UHFFFAOYSA-N 274.342 0.909 10 10 CCCE CN(CCOc1ccc(N)cc1)Cc1cnnn1C 2100251098 QYMRKQHDYHZNCL-UHFFFAOYSA-N 261.329 0.908 10 10 CCCE COCCN[C@H](C(=O)OC)c1c(O)cccc1OC 2104437768 JWGVXXWSTMOHHD-LBPRGKRZSA-N 269.297 0.851 10 10 CCCE Cc1cc(NS(=O)(=O)N2CCC[C@@H]2CO)ccc1O 2105590357 HSTSYNGDHVTBEB-LLVKDONJSA-N 286.353 0.814 10 10 CCCE CO[C@@H](C)[C@H](NC(=O)c1cccc(O)c1O)C(=O)O 2087686491 PMHDCOHGZRZNEY-RCOVLWMOSA-N 269.253 0.316 10 10 CCCE NC(=O)CO[C@@H]1CCCN(Cc2ccc(N)cc2)C1 2089132890 IBTZWOFJYJMRRE-CYBMUJFWSA-N 263.341 0.735 10 10 CCCE NC(=O)[C@@H]1CC[C@H](NC(=O)c2ccc(O)c(O)c2)C1 2090013505 HZJNTZDYRPAOJX-APPZFPTMSA-N 264.281 0.482 10 10 CCCE COc1ccc(O)c(CN2CC(O)(CC(=O)O)C2)c1 2110673413 QXHKWJURGKKZBU-UHFFFAOYSA-N 267.281 0.422 10 10 CCCE Nc1ccc(CCN2CCNC(=O)C(F)(F)C2)cc1 2090583268 LAWKRNRVJWAQQH-UHFFFAOYSA-N 269.295 0.878 10 10 CCCE O=C(N[C@]12CCCNC[C@H]1C2)c1cccc(O)c1O 2090777457 SOKGSXAPSBNBQU-OTYXRUKQSA-N 262.309 0.970 10 10 CCCE C[C@H](C=CC(=O)O)NC(=O)Cc1ccc(O)c(O)c1 2090859429 KSZCEWLBDWZVPW-MRVPVSSYSA-N 265.265 0.786 10 10 CCCE C[C@@H](C(=O)Nc1ccc(N)cc1)N1C[C@H]2C[C@@]2(CO)C1 2200841778 KUHRAGWOAVTUDN-RWSFTLGLSA-N 275.352 0.910 10 10 CCCE CCNC(=O)[C@H]1CNCCN1c1ccc(OC)c(C)c1 2206581775 ZQFPZBIELRVLQS-CYBMUJFWSA-N 277.368 0.918 10 10 CCCE COC1(C(N)=O)CN(c2ccc([C@H](C)N)cc2C)C1 2232101201 VOPVAKYJOXSPGX-JTQLQIEISA-N 263.341 0.705 10 10 CCCE CN[C@H](C)c1ccc(N2CC(OCC(N)=O)C2)c(C)c1 2240831586 VAKCLMSKZOXOPY-LLVKDONJSA-N 277.368 0.966 10 10 CCCE N[C@@]1(C(=O)C(=O)C[C@H]2C[C@H](N)C2)C[C@H]2CC[C@H]1C2 2256533351 OMCJKRBUWSPCTN-VITBEWHZSA-N 250.342 0.770 10 10 CCCE O=C1C[C@H](NCc2cc3c(cc2O)OCO3)CO1 2264180818 OOLSKOUGKVZLMS-QMMMGPOBSA-N 251.238 0.526 10 10 CCCE Cn1cnc(=NCc2ccc(N3CCNCC3)cc2)[nH]1 2286068124 PFTRHLWFCOFUFM-UHFFFAOYSA-N 272.356 0.259 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC[C@H]2[C@H](O)C[C@H]21 2310024332 BVZRHJWKJIHCSA-IWSPIJDZSA-N 250.254 0.088 10 10 CCCE CCN(CCN=[N+]=[N-])C(=O)[C@@H](C1CC1)S(C)(=O)=O 2315987615 WUDYYUSYNWCLAK-SECBINFHSA-N 274.346 0.968 10 10 CCCE C[C@@H](C(=O)Nc1ccc(N)cc1)N1C[C@@H]2COC[C@@H]21 2331659696 HJGJSLZMIWOILA-CWSCBRNRSA-N 261.325 0.926 10 10 CCCE O=C1Nc2cc(N3C[C@H]4C[C@@H]3[C@@H]4CO)ccc2[C@H]1O 2333083257 SHOQGNYGORQVHH-OWCNQMLTSA-N 260.293 0.489 10 10 CCCE C[C@H](N)[C@H](C)C(=O)N1CCc2cc(O)c(O)cc2C1 2341194544 VCCUJUSBTDXWBO-IUCAKERBSA-N 264.325 0.966 10 10 CCCE Oc1cc2c(cc1O)CN(C[C@]1(O)CCNC1)CC2 2341212012 FARKNGVJGQDIGV-AWEZNQCLSA-N 264.325 0.180 10 10 CCCE CNCc1ccc(N2CC(O)(CN(C)C)C2)c(F)c1 2343636093 PHIJOXZJGMARPJ-UHFFFAOYSA-N 267.348 0.658 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC[C@H]2CC[C@@H](O)[C@@H]1C2 2355758202 QHFWTZFQMMGMMT-DVVUODLYSA-N 278.308 0.868 10 10 CCCE CN1CCCc2cc(CNC(=O)CNC(N)=O)ccc21 57558780 SJFOAKOUINQGHJ-UHFFFAOYSA-N 276.340 0.354 10 10 CCCE NC(=O)[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2O)C1 104674581 ISCDBPDLHYNCDY-MRVPVSSYSA-N 265.269 0.608 10 10 CCCE OCc1ccc(N2C[C@H]3COC[C@@H](C2)[C@H]3O)c(F)c1 2132542392 HPMVULZRCLGRQP-GNXNZQSNSA-N 267.300 0.762 10 10 CCCE C[C@H](CO)N(C)c1cc2c(cc1N)OCC(=O)N2 122186139 QTBSJHZTNHCRML-SSDOTTSWSA-N 251.286 0.417 10 10 CCCE CCCNC(=O)CNC(=O)Nc1ccc(N)cc1 36781313 UNQKTRGWXHNFCD-UHFFFAOYSA-N 250.302 0.917 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N3CCn4cnnc4C3)cc21 131400748 CULGCVZYVGFAJK-ZDUSSCGKSA-N 284.323 0.275 10 10 CCCE CN1CCC(NC(=O)c2ccc(O)c(O)c2)CC1 226953011 RQEPUKRIRKMJSC-UHFFFAOYSA-N 250.298 0.922 10 10 CCCE CS(=O)(=O)[C@H]1CCC[C@@]1(NCCCN=[N+]=[N-])C(=O)O 90259212 ILUXUSNRUSVZDS-WPRPVWTQSA-N 290.345 0.697 10 10 CCCE O=C1NCCN[C@H]1c1cc(Br)ccc1O 96886551 UDDAQYQREGVTQF-VIFPVBQESA-N 271.114 0.915 10 10 CCCE CCNC(=O)CN(C)c1cc2c(cc1N)OCCO2 49726788 DLWCBSXNXWILPE-UHFFFAOYSA-N 265.313 0.612 10 10 CCCE OCc1nnn2c1CN(Cc1cc(F)ccc1O)CC2 813333320 OKHZSZBDXXIBLB-UHFFFAOYSA-N 278.287 0.631 10 10 CCCE O=C(O)Cc1ccc(O)c([C@@H]2COCC(=O)N2)c1 725401313 RQJMMWCWRPNVDH-VIFPVBQESA-N 251.238 0.207 10 10 CCCE CNC(=O)CN(C)c1cc2c(cc1Cl)[C@H](NC)C(=O)N2 723177909 JDIZOQNFMGABDD-LBPRGKRZSA-N 296.758 0.735 10 10 CCCE O=S1(=O)CC(COc2ccc(N3CCNCC3)cc2)C1 722809308 GUHJQCKLJAQIHR-UHFFFAOYSA-N 296.392 0.520 10 10 CCCE COc1cccc(CNC(=O)[C@@H]2CCN(C)C2)c1O 729858930 GWNAIRUFZODFGR-LLVKDONJSA-N 264.325 0.969 10 10 CCCE Cc1nc(C)c(C=C2C(=O)N(C)C(=O)N(C)C2=O)o1 905069995 SXVFCBWWYATSGP-UHFFFAOYSA-N 263.253 0.725 10 10 CCCE COc1ccc(CNC(=O)N[C@H](C)[C@H](C)N)c(O)c1 842003517 IGQYIVZYEJJJHJ-DTWKUNHWSA-N 267.329 0.936 10 10 CCCE Cn1cc([C@@H](O)C(=O)N2Cc3cccc(O)c3C2)cn1 871205213 RRKXFBLVXIKMRO-CYBMUJFWSA-N 273.292 0.702 10 10 CCCE O=C(CN1CCCS1(=O)=O)N1Cc2cccc(O)c2C1 871201171 RBXKEEHTWHQDBB-UHFFFAOYSA-N 296.348 0.270 10 10 CCCE NC[C@H]1COC[C@@H]1NC(=O)CCc1ccc(N)cc1 1876452049 UZUHFOIWPAKPOE-AAEUAGOBSA-N 263.341 0.291 10 10 CCCE COC1CC(CO)(NC(=O)Nc2ccc(N)cc2)C1 1899872832 UEAVSXQNWOTNOJ-UHFFFAOYSA-N 265.313 0.930 10 10 CCCE [N-]=[N+]=NCCNS(=O)(=O)CCc1ccccn1 42012827 FIJVYPLSPHEMBL-UHFFFAOYSA-N 255.303 0.854 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N3CCNC(=O)CC3)ccc21 62101099 QLSGCGWNXJGRPQ-CYBMUJFWSA-N 274.324 0.226 10 10 CCCE C[C@H](O)[C@H](O)CNCc1ccc(Br)cc1O 717389336 WCHQUYGTIZQJMS-WRWORJQWSA-N 290.157 0.986 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC[C@H]2C[C@@H]2C1 699222063 CGNOBGPUMKHFGK-TUAOUCFPSA-N 276.336 0.836 10 10 CCCE Nc1ccc(CCC(=O)N[C@@H]2CCC(=O)NC2=O)cc1 89751159 ZVUAUSKWCXNNMS-LLVKDONJSA-N 275.308 0.123 10 10 CCCE CON(C(=O)Cc1ccc(O)c(O)c1)[C@@H]1CCNC1 2119452344 AKBOOLHXEVUBHD-SNVBAGLBSA-N 266.297 0.392 10 10 CCCE CSc1ncc(CNC(=O)c2nn[nH]c2N)s1 2248607761 GKRDTSHBSSQFGW-UHFFFAOYSA-N 270.343 0.495 10 10 CCCE CC(C)(C)[C@H](NC(N)=O)C(=O)NCc1ccc(O)cc1O 1469158623 FEIDLPMQBVGBPE-LLVKDONJSA-N 295.339 0.797 10 10 CCCE C[C@H](c1cc(O)ccc1O)N1CC[C@@H](N)[C@@H](CO)C1 2122389373 DGVGAYRMLNNUSE-GIPNMCIBSA-N 266.341 0.800 10 10 CCCE CCOc1cccc(CN2C[C@@H](N)[C@H](OC)C2)c1O 2122646435 BTPQBPOIGNIQSY-DGCLKSJQSA-N 266.341 0.949 10 10 CCCE COc1ccc(CNC[C@@H](C)CNC(=O)C(N)=O)cc1C 1715259938 XSULWZNHUWSHSL-SNVBAGLBSA-N 293.367 0.331 10 10 CCCE C[C@@H]1CN[C@H](CO)CN(c2ccc3c(c2)OCO3)C1 217097839 BYERUXHXNRDRNX-MNOVXSKESA-N 264.325 0.822 10 10 CCCE C[C@]1(CO)C[C@H](NS(=O)(=O)Cc2ccc(N)cc2)C1 2123434582 QXUAGLRUCNRZPF-JOCQHMNTSA-N 284.381 0.849 10 10 CCCE COc1ccc(O)c([C@@H](C)N2C[C@H](O)C[C@H]2CN)c1 2124713149 IFDKROSVNNZZHU-OUAUKWLOSA-N 266.341 0.856 10 10 CCCE CS(=O)(=O)N1CC[C@@H](CN2CC[C@H](CN=[N+]=[N-])C2)C1 1912154397 BWDFQXSYMGLMQO-MNOVXSKESA-N 287.389 0.900 10 10 CCCE COc1cc(C)ncc1[C@@H](NCCN=[N+]=[N-])C(N)=O 1912162849 BFUHBRCQUBKJMV-SNVBAGLBSA-N 264.289 0.825 10 10 CCCE O[C@H]1CCCc2cc(N3C[C@H](O)C[C@@H](O)C3)ccc21 2128278668 ZCHFAJMPFGYGJS-NFAWXSAZSA-N 263.337 0.988 10 10 CCCE CC(=O)N[C@H](C)CNC(=O)[C@H](C)Oc1ccc(N)cc1 1860082066 IWKWAYDLVUGCQR-ZJUUUORDSA-N 279.340 0.677 10 10 CCCE CN[C@]1(CO)CCN(c2ccc(OC)cc2OC)C1 259436364 UWMZMOAZWAYNFQ-CQSZACIVSA-N 266.341 0.864 10 10 CCCE NCc1ccc(N2CC(CNC(N)=O)C2)c(F)c1F 2130739473 RSYXGMRXUYDRES-UHFFFAOYSA-N 270.283 0.528 10 10 CCCE C[C@@H](CCC(=O)O)NC(=O)c1cc(O)c(O)c(O)c1 2132348726 RGCBBXOECRIQGF-LURJTMIESA-N 269.253 0.787 10 10 CCCE COC(OC)[C@H](C)NC(=O)c1cc(O)c(O)c(O)c1 2132408114 UMMHMKXWTWQFKV-LURJTMIESA-N 271.269 0.541 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H]2COC[C@H]2C1 2132401608 AMPXZGAGXGSPSD-RKDXNWHRSA-N 265.265 0.522 10 10 CCCE C[C@H](CCO)N(C)c1ccc2c(c1)N(C)C(=O)[C@H]2O 1917090557 ORZZDDZDZHDSJH-RNCFNFMXSA-N 264.325 0.904 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CC[C@@](F)(CO)C1 1917119890 BSHSWCKAFVZOGI-LBPRGKRZSA-N 255.245 0.644 10 10 CCCE O=C(N[C@@H]1CCCS(=O)(=O)C1)c1ccc(O)c(O)c1 227028514 SJQPRKZKZFHYTH-SECBINFHSA-N 285.321 0.405 10 10 CCCE NC1CC(CC(=O)NCCc2ccc(O)c(O)c2)C1 1968738845 GHTDETSBNLBJKM-UHFFFAOYSA-N 264.325 0.884 10 10 CCCE NCC[C@H](F)C(=O)NCCc1ccc(O)c(O)c1 1968739280 NRCNEIYZFHVHOD-VIFPVBQESA-N 256.277 0.443 10 10 CCCE COC(=O)[C@H](C)S(=O)(=O)NCc1cccc(C)c1O 2139743335 JFFLZJZTBMRGCF-VIFPVBQESA-N 287.337 0.682 10 10 CCCE Nc1ccc(O)c(CNC(=O)c2ccc(=O)[nH]c2)c1 236365733 DIVRZUBMQXUQLC-UHFFFAOYSA-N 259.265 0.593 10 10 CCCE Nc1ccc(NC(=O)CN2C[C@@H](O)[C@@H](C3CC3)C2)cc1 2146832173 GUHDDVLNZYKWTF-ZIAGYGMSSA-N 275.352 0.910 10 10 CCCE N[C@H](C(=O)NCCc1ccc(O)c(O)c1)[C@H]1CCOC1 2149313308 VVINOMNKMRTREV-GWCFXTLKSA-N 280.324 0.120 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1C2CCC1(C(=O)O)CC2 2143584345 LOEPAHSLUKYNRN-UHFFFAOYSA-N 278.264 0.715 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@H](CC(F)F)C(=O)O 2144019370 NGRCWYITVBJRAS-SSDOTTSWSA-N 289.234 0.865 10 10 CCCE CN[C@@H](c1nnn(C)n1)[C@@H](O)c1ccc(N(C)C)cc1 2147923996 UVKICWJWWACRDY-NEPJUHHUSA-N 276.344 0.270 10 10 CCCE CN[C@H](c1cnnn1C)[C@H](O)c1ccc(N(C)C)cc1 2148247408 XKKKDGSFDDYVLH-ZIAGYGMSSA-N 275.356 0.875 10 10 CCCE NC(=O)[C@H]1CCCN1CCCOc1ccc(N)cc1 36671498 HJTYTKCCZRNQHY-CYBMUJFWSA-N 263.341 0.987 10 10 CCCE CNC(=O)CN(C)[C@H](C)C(=O)Nc1ccc(N)cc1 37269719 HWLRFVZEZTUWIX-SECBINFHSA-N 264.329 0.274 10 10 CCCE Nc1ccc(CC(=O)N2CC[C@H]3CS(=O)(=O)C[C@H]32)cc1 2151279466 HZGFYKPSQGAVQM-WCQYABFASA-N 294.376 0.457 10 10 CCCE NCc1ccc(N2CCC([C@@H](O)CO)CC2)c(F)c1F 2152465477 XMZHZGQUYSRWIZ-LBPRGKRZSA-N 286.322 0.993 10 10 CCCE C[C@@H](N)c1ccc(N2CC[C@](CO)(CCO)C2)cc1O 2153347450 VOJSOBICGQTPGV-ABAIWWIYSA-N 280.368 0.983 10 10 CCCE CNCc1ccc(N2C[C@H](CO)C[C@@H]2CO)cc1 2029383032 HLTZKWSWHLNABC-TZMCWYRMSA-N 250.342 0.586 10 10 CCCE Nc1ccc(CS(=O)(=O)Nc2ncncn2)cc1 2032313058 PQPRKEMVOGJMBP-UHFFFAOYSA-N 265.298 0.396 10 10 CCCE O=C(O)[C@@H]1[C@@H]2CC[C@H]2CN1C(=O)c1cc(O)nc(O)c1 2157099045 QXNXVEUQLLQYKI-QXHCQDJKSA-N 278.264 0.428 10 10 CCCE CC(C)[C@@H]1CNCCCN1C(=O)c1cc(O)nc(O)c1 2159122053 BNNGASCWMJVAGF-NSHDSACASA-N 279.340 0.953 10 10 CCCE CNC(=O)NCCCNC(=O)CCc1ccc(N)cc1 2159116596 KTZOFYYFBWIFDS-UHFFFAOYSA-N 278.356 0.637 10 10 CCCE C[C@H]1CN(C(=O)Cc2ccc(N)cc2)C[C@@H](C)S1(=O)=O 400847027 DLZVYXDVIFKTDR-PHIMTYICSA-N 296.392 0.845 10 10 CCCE COc1cccc(O)c1CNC[C@@H]1CN(C)CCN1C 2160700857 JFNNXUADWYOKBH-GFCCVEGCSA-N 279.384 0.736 10 10 CCCE CNCc1ccc(N2CCN(C)[C@H](CO)C2)cc1C 687612288 MSKIUTTVTCROFN-HNNXBMFYSA-N 263.385 0.827 10 10 CCCE CCN(C[C@H](C)O)c1ccc2c(c1)N(C)C(=O)[C@@H]2N 691415951 MVLMUGBTLBHNMU-TVQRCGJNSA-N 263.341 0.870 10 10 CCCE C[C@H](N)c1ccc(N2C[C@H]3C(=O)NC(=O)[C@@H]3C2)cc1O 387469184 SVUYXWFURRGKTM-WHGOUJPWSA-N 275.308 0.121 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCCCCF 388626833 UUQNBRLMXNWVRE-JTQLQIEISA-N 270.304 0.834 10 10 CCCE COc1ccc(N2CCOC[C@H](O)C2)c([N+](=O)[O-])c1 399895207 LCWSXPSZUAXCBW-SECBINFHSA-N 268.269 0.801 10 10 CCCE [N-]=[N+]=NCCCCN1CCC[C@H]1C(=O)N1CCNCC1 2174632011 VPUBLNIGAKUZHD-LBPRGKRZSA-N 280.376 0.973 10 10 CCCE Nc1ccc(NC(=O)N2C[C@@H]3OC[C@@H](CO)[C@@H]3C2)cc1 2178093847 RDEMJWVPUIMWQV-ICCXJUOJSA-N 277.324 0.740 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N3CC4(CC[C@H]4O)C3)cc21 2179704649 VOCZPQLFQOTUMR-OLZOCXBDSA-N 273.336 0.624 10 10 CCCE CCn1cnnc1CNC(=O)c1cc(O)c(O)c(O)c1 2188873799 ABHBCJBTHCEQBX-UHFFFAOYSA-N 278.268 0.345 10 10 CCCE O=C(N[C@@H](CO)[C@@H]1CC=CCC1)c1cc(O)nc(O)c1 2196155474 JKAISIFBEHAPNO-KOLCDFICSA-N 278.308 0.940 10 10 CCCE NC(=S)[C@H]1CCCN(C(=O)c2cc(O)c(O)c(O)c2)C1 2188911368 BTAQGMLZPSDGSS-ZETCQYMHSA-N 296.348 0.942 10 10 CCCE CN(C[C@@H]1CCCNC1)C(=O)c1cc(O)c(O)c(O)c1 2188924597 REXZESXPHVWEAS-SECBINFHSA-N 280.324 0.875 10 10 CCCE N[C@H]1C[C@H](NC(=O)c2cc(O)c(O)c(O)c2)C12CCC2 2188913481 SELATYZXNDYPOW-QWRGUYRKSA-N 278.308 0.803 10 10 CCCE NCc1cc(F)c(N2C[C@@H](O)C[C@H](O)C2)c(F)c1 2043129899 TVIDMBTYOQGULZ-IUCAKERBSA-N 258.268 0.355 10 10 CCCE O=C1C[C@H](CNCc2ccc(O)cc2O)CCN1 2043331993 NDEUINZWYXSJOA-SECBINFHSA-N 250.298 0.714 10 10 CCCE CN[C@@H](C)[C@@H]1CCN1C(=O)c1ccc(O)c(O)c1 2045177535 ZYBGNGIICCJJGI-WPRPVWTQSA-N 250.298 0.920 10 10 CCCE C[C@H](N)[C@H]1CCN1C(=O)Cc1ccc(O)c(O)c1 2045156864 HLFVCTQQZOZMLU-WCBMZHEXSA-N 250.298 0.588 10 10 CCCE C[C@H](N)[C@@H](O)C(=O)N(C)[C@@H](C)c1ccccc1O 2056838541 LIYDJPBEBKFBSX-HOTUBEGUSA-N 252.314 0.620 10 10 CCCE Cc1cc(N2CC(=O)N3CCOC[C@H]3C2)ccc1CO 2185857612 HVNFDQVKYLKCOZ-CQSZACIVSA-N 276.336 0.535 10 10 CCCE CS(=O)(=O)N1CC[C@H](N2CCC[C@@H]2CN=[N+]=[N-])C1 2059060656 SWSLSTOMKYXJHL-ZJUUUORDSA-N 273.362 0.795 10 10 CCCE CN(C[C@@H]1CCN1C)c1ccc2c(c1)N(C)C(=O)[C@H]2N 2186457974 PCFRZPMHWFBVKF-FZMZJTMJSA-N 274.368 0.803 10 10 CCCE COC[C@]1(NS(=O)(=O)Cc2ccc(N)cc2)CCNC1 2191626408 QQUUDQUMXDHGME-ZDUSSCGKSA-N 299.396 0.067 10 10 CCCE CNCc1ccc(N2C[C@H](O)[C@H]3COC[C@@H]32)c(F)c1 2102193657 UPWQUYVLOQPTKR-BPNCWPANSA-N 266.316 0.741 10 10 CCCE NCc1ccc(N2C[C@H](O)[C@@H]3COC[C@H]32)c(F)c1F 2102190429 RYKGQLRGZQLRMD-IEBDPFPHSA-N 270.279 0.619 10 10 CCCE COC[C@](O)(CO)CN[C@@H](C)c1c(O)cccc1O 2102398647 FGYAMXARENKUQZ-TVQRCGJNSA-N 271.313 0.118 10 10 CCCE CCOC(=O)[C@H](N)CNCc1ccc(N(C)C)cc1 2104177574 GYEWZEARYNZCMS-CYBMUJFWSA-N 265.357 0.733 10 10 CCCE O=C(O)CN1CC(NCc2ccc(F)cc2O)C1 2084074857 DXYUSXCWLCDHAG-UHFFFAOYSA-N 254.261 0.390 10 10 CCCE CCOc1ccc(N2C[C@H](N)C[C@@H](C(N)=O)C2)cc1 2106381932 HTSUCYZEYLKHKJ-GHMZBOCLSA-N 263.341 0.724 10 10 CCCE CN(C)[C@H]1CN(c2ccc(CN)c(F)c2F)C[C@H]1O 2089922829 KYYXAXJGOFEGAG-WDEREUQCSA-N 271.311 0.535 10 10 CCCE COc1ccc(N2C[C@@H](O)C[C@@H](N)C2)c([N+](=O)[O-])c1 2111817308 IIJPQVYJLZYBRM-BDAKNGLRSA-N 267.285 0.502 10 10 CCCE Nc1ccc(OCCN2CC(=O)N[C@H]3CC[C@H]32)cc1 2112061097 JIWYEQMFTNVOFE-QWHCGFSZSA-N 261.325 0.610 10 10 CCCE Oc1ccc(CCNC[C@H]2CNCCOC2)cc1O 2098658074 AZAVFVHWXAZOEQ-LBPRGKRZSA-N 266.341 0.466 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CCCC[C@@H](O)C2)cc1 2112922034 VAFGQCKCSUWKRB-CYBMUJFWSA-N 284.381 0.945 10 10 CCCE COCCn1nnnc1CNCc1ccc(N)cc1 2113071542 MWRNKZPLHUTPCC-UHFFFAOYSA-N 262.317 0.192 10 10 CCCE CN(CCn1cncn1)C(=O)c1ccc(O)c(O)c1 2113664229 RBZWYUYDQBZNGG-UHFFFAOYSA-N 262.269 0.462 10 10 CCCE CSc1ncc(CNC(=O)c2cc(CN)nn2C)s1 2269189108 WOBQHHRWMZITEW-UHFFFAOYSA-N 297.409 0.987 10 10 CCCE C[C@@H]1O[C@@H](C)C(=O)N(c2ccc(N)cc2C(=O)O)C1=O 2207320416 ZMWIDXRZOSWUET-BQBZGAKWSA-N 278.264 0.634 10 10 CCCE N=c1nnc(OC[C@@H](NCc2ccccc2)C2CC2)n[nH]1 2209555312 BXMUZYAPQHORIS-GFCCVEGCSA-N 286.339 0.626 10 10 CCCE COc1ccc(N(C)CCS(C)(=O)=O)c(CN)c1 2220416354 YRZMOBZUOFVHTA-UHFFFAOYSA-N 272.370 0.635 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3C[C@@H](O)C[C@@H](F)C3)cc21 2234659433 GSLOVOWPAYFQNU-DFAYQTQMSA-N 279.315 0.572 10 10 CCCE COC(=O)C1(O)CN(c2ccc(OC)cc2OC)C1 2226801981 KHEQJDBENIPRRK-UHFFFAOYSA-N 267.281 0.428 10 10 CCCE C[C@@]1(O)[C@H]2C[C@@H]1CN(c1ccc3c(c1)NC(=O)[C@H]3O)C2 2286198294 CLWYGZPRCSYUES-NYEYQKPUSA-N 274.320 0.879 10 10 CCCE Cc1cc(N2CC[C@@](O)(C(N)=O)C2)ccc1[C@@H](C)N 2269665633 IUHQZDHLPALFNY-YGRLFVJLSA-N 263.341 0.441 10 10 CCCE Cc1cc(N2CCC(O)(C(N)=O)CC2)ccc1[C@H](C)N 2285125327 BOZMZFMCCFVDNU-NSHDSACASA-N 277.368 0.831 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1C[C@H]2C[C@@H]1[C@@H]2CO 2333081032 QJUVVVWPJAGIOH-GMTAPVOTSA-N 263.293 0.480 10 10 CCCE Cc1cc(N2C[C@@H]3C[C@H]2[C@@H](O)[C@@H]3O)ccc1[C@H](C)N 2334468029 JNOIHLOJLIWOKU-FQOPFDEGSA-N 262.353 0.945 10 10 CCCE CO[C@H]1CN(Cc2cc(N)ccc2O)C[C@@H]1OC 300092041 IHPZDIPVHROWFE-STQMWFEESA-N 252.314 0.820 10 10 CCCE CC(C)CNC(=O)CN(C)C(=O)COc1ccc(N)cc1 228241695 FFBIBVLZQXJQRU-UHFFFAOYSA-N 293.367 0.878 10 10 CCCE C[C@H](CCNC(=O)c1ccc(O)c(O)c1)C(=O)O 235447513 JIWHWVPNDZTTHG-SSDOTTSWSA-N 253.254 0.938 10 10 CCCE C[C@H]1CN[C@@H](C(=O)NCCc2ccc(O)c(O)c2)CO1 2165885435 WZSRGCDWQPBNDG-GXSJLCMTSA-N 280.324 0.133 10 10 CCCE CN1CCc2cc([C@@H](N)C3(O)COCCOC3)ccc21 2163133229 KYQJHENHPWMRNF-CQSZACIVSA-N 278.352 0.457 10 10 CCCE C[C@@H]1[C@@](O)([C@H](N)c2ccc(N(C)C)cc2)CCS1(=O)=O 2163135041 GDGXJDOVSQTARS-LERXQTSPSA-N 298.408 0.691 10 10 CCCE Cn1nnc([C@@H](NN)c2ccc(N3CCCC3)cc2)n1 2163157732 GZYOWHLJZASUAG-LBPRGKRZSA-N 273.344 0.363 10 10 CCCE C[C@@H]1COC[C@@H](C(=O)NCCc2ccc(O)c(O)c2)N1 2168308256 WICNMSDNTOCJTK-KOLCDFICSA-N 280.324 0.133 10 10 CCCE C[C@@]12CN(C(=O)Cc3ccc(O)c(O)c3)C[C@]1(CO)C2 2165481617 MWGZNYREHATOCP-CABCVRRESA-N 277.320 0.871 10 10 CCCE COc1cccc(CNC(=O)[C@@H](O)C(C)(C)O)c1O 901126154 AKNQKYHABZTBSI-LLVKDONJSA-N 269.297 0.149 10 10 CCCE COc1cccc(O)c1CN1CCN(C[C@@H](C)O)CC1 769327863 NFWYKYJHUKCVFB-GFCCVEGCSA-N 280.368 0.899 10 10 CCCE CN1CCN(C(=O)Nc2ccc(N)cc2)[C@H](CN)C1 1876149015 JOPQWMJHROTMCE-GFCCVEGCSA-N 263.345 0.375 10 10 CCCE O=C1N[C@@H](C(=O)Nc2c(Cl)ccc3nonc23)CO1 1128602994 ANNOSOVTHZXCJX-ZCFIWIBFSA-N 282.643 0.923 10 10 CCCE Nc1ccc(OCC(=O)N2C[C@@H]3CC[C@H](C2)N3)cc1 1876490426 BPDRIJXAFUJVEJ-TXEJJXNPSA-N 261.325 0.610 10 10 CCCE C[C@H](NC(=O)[C@@H](N)[C@H]1CCOC1)c1ccccc1O 1877587705 POQQTCVHCRZJEA-KWBADKCTSA-N 264.325 0.933 10 10 CCCE Oc1ccc(CNCCN2CCNCC2)c(O)c1 83385147 YAEGXKTXLZBPGR-UHFFFAOYSA-N 251.330 0.093 10 10 CCCE C[C@@H](C(=O)O)c1nnc([C@@H](N)c2cc(O)ccc2O)o1 83588065 OCUNZESBKJGIPW-ANLVUFKYSA-N 279.252 0.717 10 10 CCCE O=C(CCNCc1cccc(F)c1O)N1CCOCC1 135888121 MMFYWOORDNCFMN-UHFFFAOYSA-N 282.315 0.870 10 10 CCCE C[C@@](O)(CO)CNCc1c(O)cccc1Br 706805323 YMXFWQUJEGUQFY-NSHDSACASA-N 290.157 0.988 10 10 CCCE CC1(C)C(=O)NC(=O)CN1CCc1ccc(N)cc1 97300389 VYODHMQMLMAENK-UHFFFAOYSA-N 261.325 0.548 10 10 CCCE C[C@@H]1C[S@](=O)CCN1c1ccc2c(c1)NC(=O)[C@@H]2O 2115323589 SCWVEUGZTQNORR-HLRGWKPYSA-N 280.349 0.629 10 10 CCCE O=C1Nc2cc(N3CC=C[C@H]3CO)c(F)cc2[C@@H]1O 2119852109 AUZWUSXXTZAXPB-MADCSZMMSA-N 264.256 0.548 10 10 CCCE O=C1NC[C@@]2(CCN(Cc3cccc(F)c3O)C2)N1 2121193297 QCCGECJZSYWLOV-CYBMUJFWSA-N 265.288 0.789 10 10 CCCE O=C1Nc2cc(N3CC[C@H]4[C@@H]3C[C@H]4O)ccc2[C@H]1O 2121673421 VNFYEKHVEOSSKK-FTYKPCCVSA-N 260.293 0.632 10 10 CCCE O=C(CN1CCCNC1=O)NCc1ccc(O)cc1O 1557085027 YWWKGTUOSMATSN-UHFFFAOYSA-N 279.296 0.129 10 10 CCCE O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CC[C@@H](O)[C@@H](O)C1 1558580813 KXCQIKMFBYMVQH-PXPKZRCRSA-N 293.319 0.502 10 10 CCCE C[C@@H](NC(=O)c1nccnc1C(N)=O)c1ccccc1O 1557967178 WPPGZHCGHVWAMG-MRVPVSSYSA-N 286.291 0.772 10 10 CCCE COC(=O)[C@@](C)(NCCN=[N+]=[N-])c1ncnn1C 1912178105 KLNGAOUOXNULHB-VIFPVBQESA-N 253.266 0.103 10 10 CCCE [N-]=[N+]=NCCCN[C@@]1(C(N)=O)CCN2CCC[C@@H]2C1 156579258 HQZAZBZZANDCIS-PWSUYJOCSA-N 266.349 0.759 10 10 CCCE CC[S@](C)(=O)=NCCNC(=O)c1ccc(O)c(O)c1 2130774634 NDSSEFKROVAOLH-IBGZPJMESA-N 286.353 0.945 10 10 CCCE O=[N+]([O-])c1cc(N2C[C@@H]3C(CO)[C@H]3C2)ccc1CO 2132057754 IEKLTMFKYLOELE-QWRGUYRKSA-N 264.281 0.762 10 10 CCCE CC1(C)C[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1O 2132350766 QNDZQTGDIKTMGK-HQJQHLMTSA-N 267.281 0.693 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@H]2COC[C@@H]2C1 2132401607 AMPXZGAGXGSPSD-IUCAKERBSA-N 265.265 0.522 10 10 CCCE Oc1cc(-c2nc(-c3nc[nH]n3)no2)cc(O)c1O 2132401485 UPBSPBDEYDGZCV-UHFFFAOYSA-N 261.197 0.639 10 10 CCCE C[C@H]1C[C@H]1N(CCN)C(=O)c1cc(O)c(O)c(O)c1 2132404894 VNHXBWPUGDZGEJ-IONNQARKSA-N 266.297 0.613 10 10 CCCE CCS(=O)(=O)N(C)CC(=O)N(C)c1ccc(N)cc1 1913846771 BLNVKXLVADYRCI-UHFFFAOYSA-N 285.369 0.513 10 10 CCCE C[C@H](c1ccccc1O)N(C)C(=O)C[C@H](N)C(=O)O 1913938446 QHJRZBVKGPUPHI-SCZZXKLOSA-N 266.297 0.714 10 10 CCCE C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc(O)c(O)c1 226955307 WYNGAHHILJEROX-SCZZXKLOSA-N 278.308 0.824 10 10 CCCE O=C(N[C@@H]1CN[C@H]2CCC[C@@H]21)c1cc(O)nc(O)c1 1925999744 LJHGETCGAILMRH-LPEHRKFASA-N 263.297 0.363 10 10 CCCE CO[C@@H](CN)Cc1nc(-c2ccc(O)c(O)c2)no1 234736582 IRZILOFPOKOROE-MRVPVSSYSA-N 265.269 0.664 10 10 CCCE N[C@@H](C(=O)NCCc1ccc(O)c(O)c1)[C@@H]1CCOC1 2149313311 VVINOMNKMRTREV-ZWNOBZJWSA-N 280.324 0.120 10 10 CCCE CN1CC[C@H](CNC(=O)COc2ccc(N)cc2)C1 40305625 CCGCDNATAUSTBV-LLVKDONJSA-N 263.341 0.716 10 10 CCCE Nc1ccc(OCC(=O)N[C@@H]2CO[C@@H]3COC[C@H]23)cc1 2158044361 VTFWBVNVIAJGFS-JHJVBQTASA-N 278.308 0.178 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CCNCC2)cc1 2016890350 KHVTXDMTQWNMAR-UHFFFAOYSA-N 255.343 0.004 10 10 CCCE O=C(O)C[C@@]1(NC(=O)c2cc(O)nc(O)c2)CCSC1 2153966492 PITBZCSSGRWSHY-LBPRGKRZSA-N 298.320 0.573 10 10 CCCE CC1(C)C[C@@H](O)CN1c1cc2c(cc1N)OCC(=O)N2 2154826639 UFIJVMGJQCNNEG-MRVPVSSYSA-N 277.324 0.949 10 10 CCCE CCN[C@@H](C)CNC(=O)Cc1ccc(O)c(O)c1 2027482619 PJEARUCQPOZESD-VIFPVBQESA-N 252.314 0.755 10 10 CCCE Cn1ncc(S(=O)(=O)Nc2ccc(O)cc2Cl)n1 2027816240 UECOULOAMHGGQS-UHFFFAOYSA-N 288.716 0.975 10 10 CCCE NN[C@@H](COC[C@H]1CCOC1)c1ccccc1O 2029551265 VJUANPRJQSJHRI-JQWIXIFHSA-N 252.314 0.950 10 10 CCCE C[C@H](c1ccc(O)cc1O)N1CC[C@](N)(C(=O)O)C1 300292297 MZQJOIPNRZIKDV-AMIZOPFISA-N 266.297 0.647 10 10 CCCE CN1C[C@@H](NC(=O)COc2ccc(N)cc2)CCC1=O 84058932 NRJDWYPBDOJIEI-NSHDSACASA-N 277.324 0.385 10 10 CCCE COc1ccc(CN[C@@H]2CCOC[C@H]2O)c(O)c1 706722325 GRVDZPXPUVIYOQ-DGCLKSJQSA-N 253.298 0.640 10 10 CCCE CCOc1cccc(CN2CCO[C@@H]3CNC[C@@H]32)c1O 686536229 QCOJJGBKJHCYPT-GXTWGEPZSA-N 278.352 0.964 10 10 CCCE Nc1cc2c(cc1N1CC[C@H]3C[C@]3(O)C1)NC(=O)CO2 2171030304 YLYTUQSZUFVLMT-RTHLEPHNSA-N 275.308 0.561 10 10 CCCE COC[C@H](OC)C(=O)NCc1cc(N)ccc1O 691139398 JWHXQODIEVWJMO-NSHDSACASA-N 254.286 0.252 10 10 CCCE COC(=O)c1cccc(N)c1N[C@H]1CS(=O)(=O)C[C@@H]1C 712321335 LFOWLUBJLABLIW-KWQFWETISA-N 298.364 0.900 10 10 CCCE O=C(NCc1ccccc1O)[C@@]12CCOC[C@H]1CNC2 715476918 MYRRTSDMRGZDPY-IUODEOHRSA-N 276.336 0.635 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N(C)CC[S@](C)=O)ccc21 398984108 CMOWSIXQMQMVQZ-BLVKFPJESA-N 281.381 0.714 10 10 CCCE CCN1C[C@@H]2C[C@H]1CN2c1ccc2c(c1)NC(=O)[C@@H]2N 2187593294 HQBXAUYFGJICOM-COPLHBTASA-N 272.352 0.921 10 10 CCCE C[C@H](NS(=O)(=O)N1CCCNCC1)c1ccccc1O 2192631543 IVVJPZMVVGRSDK-NSHDSACASA-N 299.396 0.583 10 10 CCCE O=C(NC1CN(C2CCC2)C1)c1cc(O)c(O)c(O)c1 2188920149 SSFLIBWXCZVNOK-UHFFFAOYSA-N 278.308 0.770 10 10 CCCE COC(=O)CN(C)C(=O)NCc1ccc(N)cc1 2045110530 PWLOQYKMZXXTHO-UHFFFAOYSA-N 251.286 0.583 10 10 CCCE [N-]=[N+]=NCCCN[C@H](C(N)=O)[C@@H]1[C@H]2CCOC[C@H]21 2060953151 XOLSRRCFFYQQKG-JLIMGVALSA-N 253.306 0.413 10 10 CCCE CN1C[C@@](NCCN=[N+]=[N-])(C(=O)O)CCCC1=O 2068217342 LZIRPIKELZOCLB-SNVBAGLBSA-N 255.278 0.352 10 10 CCCE C[C@@H]1C[C@]1(CNC(=O)c1cc(O)nc(O)c1)C(=O)O 2101181662 MMDBUMDDNGCZAW-SREIQFSDSA-N 266.253 0.333 10 10 CCCE O=C(O)[C@]1(CO)CCN(Cc2ccccc2O)C1 2081090956 VMSBBQWDYGPBSW-CYBMUJFWSA-N 251.282 0.661 10 10 CCCE CN(C)c1ccc([C@@H](N)[C@H](O)c2nnn(C)n2)cc1 2106856883 FQOKNYWOVNTXCP-MNOVXSKESA-N 262.317 0.010 10 10 CCCE NC[C@H]1CN(C(=O)c2cccc(O)c2O)CC12CC2 2087794788 JFTLSXKRCAKFFX-VIFPVBQESA-N 262.309 0.909 10 10 CCCE CN[C@H](c1ccccc1O)[C@@H](O)C(C)(C)S(C)(=O)=O 2110401638 HDYLEMPLNPLVSL-VXGBXAGGSA-N 287.381 0.837 10 10 CCCE CNCc1cc(F)c(N2CC(S(C)(=O)=O)C2)c(F)c1 2095965915 DGMIYOVRXVCSQS-UHFFFAOYSA-N 290.335 0.917 10 10 CCCE COc1ccc(N2C[C@H]3C[C@H]2[C@H](O)[C@@H]3O)cc1F 2219619145 JFJLNQSOLIJPMV-ACRHEEIPSA-N 253.273 0.765 10 10 CCCE NC(=O)C1(NC(=O)CCc2ccc(N)cc2)CCC1 2231950520 TXRHTPWAQZNGNC-UHFFFAOYSA-N 261.325 0.726 10 10 CCCE COc1ccc(N2CC[C@@](O)(CO)[C@H](O)C2)c(F)c1F 2235223951 RVSZSIRJJXWYKK-ZWNOBZJWSA-N 289.278 0.268 10 10 CCCE OCC1(CO)CCN(c2ccc3c(c2)OCCO3)C1 2226771939 YQJQJZHGEDTELT-UHFFFAOYSA-N 265.309 0.639 10 10 CCCE OCc1ccc(N2C[C@H]3[C@H](C2)[C@H]2C[C@H]3[C@H](O)[C@H]2O)cc1 2237056849 QKIJKDXJBOYBGE-JQOWZUPLSA-N 275.348 0.603 10 10 CCCE CNCc1cc(OC)ccc1N(CCO)C1COC1 2227674171 UTBHTVCKYXHXLE-UHFFFAOYSA-N 266.341 0.612 10 10 CCCE COc1ccc(N2CCN(CCO)CC2)c(CN)c1 2227674518 BPXAUHHYEHEIAS-UHFFFAOYSA-N 265.357 0.268 10 10 CCCE Cc1nc(=NCCOc2ccc(N)cc2)[nH]cc1N 2229778867 TWDQRVGVKIMZNZ-UHFFFAOYSA-N 259.313 0.862 10 10 CCCE Cc1cc([C@H](C)O)ccc1N1CCN(CC(N)=O)CC1 2240838767 XHAOQNFQORNHEL-LBPRGKRZSA-N 277.368 0.656 10 10 CCCE O=C(NCCN1CC[C@H]2C[C@H]21)c1cc(O)c(O)c(O)c1 2290325294 BCUVLMKMXJOZSL-WCBMZHEXSA-N 278.308 0.627 10 10 CCCE O=C(NCc1ccccc1O)[C@H]1CCCN1C1CNC1 2287434098 VVMHNAFLFQUMAJ-CYBMUJFWSA-N 275.352 0.445 10 10 CCCE CCS(=O)(=O)N(C)NCc1cc(OC)ccc1O 2317493783 JWIWWZCTSYEAGU-UHFFFAOYSA-N 274.342 0.687 10 10 CCCE CC[C@@H](O)c1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)cc1 2332912555 AAAJWXPJCBSTJJ-SYQHCUMBSA-N 267.325 0.033 10 10 CCCE N[C@H]1C[C@]2(NC(=O)c3cccc(O)c3O)CO[C@H]1C2 2334235855 RAJGAMHTGIBYLM-GMOODISLSA-N 264.281 0.086 10 10 CCCE CNCc1ccc(N2C[C@H]3CS(=O)(=O)[C@@H]3C2)c(C)c1 2336561988 WQRPSZTUINUGOK-GXTWGEPZSA-N 280.393 0.948 10 10 CCCE CN[C@@H]1CCc2cc(N3CC([C@H](O)CO)C3)ccc21 2336772261 UUTMXHLHKWPVSP-HUUCEWRRSA-N 262.353 0.683 10 10 CCCE CCCS(=O)(=O)N[C@H](C)C(=O)N(CC)CCN=[N+]=[N-] 2337776332 LQBSMSZLGFPPPU-SECBINFHSA-N 291.377 0.863 10 10 CCCE Oc1cc2c(cc1O)CN(C[C@]1(O)CCOC1)CC2 2341215561 ZVMHTTWDPCSJQH-CQSZACIVSA-N 265.309 0.607 10 10 CCCE C[C@@H](N)c1ccc(N2CC(O)(CN(C)C)C2)c(F)c1 2343637054 XXLCNZRRNSSMRV-SNVBAGLBSA-N 267.348 0.958 10 10 CCCE COc1cc(N)c(N2C[C@@H]3C[C@H]2[C@H](O)[C@@H]3O)cc1OC 2354474785 RYZRCCFGYRIQIB-ZXVPCKTCSA-N 280.324 0.216 10 10 CCCE C[C@@H](N)c1ccc(N2C[C@@H]3OC[C@@H](CO)[C@@H]3C2)cc1O 2355688675 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OFQNKTFFUUGIEI-SECBINFHSA-N 266.297 0.238 10 10 CCCE COCC[S@@](=O)CCNCc1ccc(N)cc1 2026076044 BUOKQMJNQODNTJ-KRWDZBQOSA-N 256.371 0.754 10 10 CCCE O=S(=O)(NCc1ccccc1O)c1ccc(CO)cn1 2157765146 BTGDQXANPWDBHI-UHFFFAOYSA-N 294.332 0.758 10 10 CCCE C[C@@H](NC[C@H]1CCS1(=O)=O)c1c(O)cccc1O 2033301284 WBFBUCKHFMVIQY-RKDXNWHRSA-N 271.338 0.936 10 10 CCCE CN1CCOC[C@@H]1C(=O)N1CCC[C@@H]1CN=[N+]=[N-] 2038242238 BBUJSDAFPJHYOS-NXEZZACHSA-N 253.306 0.618 10 10 CCCE C[C@@H](NCCN1C(=O)CCC1=O)c1ccc(O)cc1O 405426619 HJVZSAWTZMRFKM-SECBINFHSA-N 278.308 0.897 10 10 CCCE CCOC(=O)C1(NCCN=[N+]=[N-])CCN(C(C)=O)CC1 312333388 BUGBEZPMBPATLV-UHFFFAOYSA-N 283.332 0.831 10 10 CCCE NC[C@H]1C[C@@H](CNC(=O)Cc2ccc(O)c(O)c2)CO1 2159116030 CUWJTKWVEUTSNA-WDEREUQCSA-N 280.324 0.120 10 10 CCCE CS(=O)(=O)NC1CN(c2c(F)cc(CO)cc2F)C1 703006674 PFTHTTNKQIKYCG-UHFFFAOYSA-N 292.307 0.195 10 10 CCCE CNCc1ccc(OC)c(C[S@](=O)CC(=O)N(C)C)c1 379875265 JONVUUWZRGHFIN-FQEVSTJZSA-N 298.408 0.752 10 10 CCCE CO[C@H]1C[C@@H](CO)N(c2cc3c(cc2N)OCCO3)C1 380417266 GRFLJZDATLPSFC-UWVGGRQHSA-N 280.324 0.626 10 10 CCCE O=C(O)CC(F)(F)CCNC(=O)c1cc(O)nc(O)c1 2178497770 WYIXNRMLAFBVFF-UHFFFAOYSA-N 290.222 0.723 10 10 CCCE CN1CC=C(CNS(=O)(=O)Cc2ccc(N)cc2)CC1 392191130 BBDZAGBPUVOFDE-UHFFFAOYSA-N 295.408 0.950 10 10 CCCE COC(=O)[C@](C)(N)[C@H](O)c1ccc2c(c1)CCCN2C 2178479277 YVLRLJLHCWPVGW-UKRRQHHQSA-N 278.352 0.993 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1[C@H]2CC[C@H]1CC(CO)C2 719242821 UURVNDIOVDCDLX-QWRGUYRKSA-N 278.308 0.868 10 10 CCCE COc1ccc(O)c(CNCc2nc(O)n[nH]2)c1 392382754 GVLXKPQOHILSRQ-UHFFFAOYSA-N 250.258 0.514 10 10 CCCE NC(=O)N1CC[C@@H](NCc2cccc(F)c2O)C1 393220411 FJPSNVPTHKJKPB-SECBINFHSA-N 253.277 0.774 10 10 CCCE Nc1ccc(OCCS(=O)(=O)NCc2cocn2)cc1 397925258 NPVQKMPIGUJVKV-UHFFFAOYSA-N 297.336 0.755 10 10 CCCE Nc1ccc(CC(=O)NCC2CN(C3COC3)C2)cc1 2171162690 ZKLQNMMPSZOFQB-UHFFFAOYSA-N 275.352 0.258 10 10 CCCE CO[C@@H]1COCC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2188868895 YSPBIUMJSUULEL-GZMMTYOYSA-N 283.280 0.337 10 10 CCCE OC[C@]1(NCc2cccc(O)c2O)C[C@H](O)C12CCC2 2193971228 RSXCXOVIZNBBPB-SWLSCSKDSA-N 279.336 0.853 10 10 CCCE C[C@H](O)c1ccc(N2CC3(C2)OC[C@@H](O)[C@@H]3O)cc1Cl 2183638417 GMIRUYQSWPILDZ-CKLFPEKLSA-N 299.754 0.704 10 10 CCCE CO[C@H]1CS(=O)(=O)C[C@@H]1N1CCc2cc(CN)ccc21 2189922290 YNOSWWBAPYTXCR-KBPBESRZSA-N 296.392 0.320 10 10 CCCE N[C@@]1(C(=O)O)CCN(Cc2c(O)cccc2F)C1 2042633338 SYSYQLXZTXXYCI-LBPRGKRZSA-N 254.261 0.519 10 10 CCCE CNCc1ccc(N2CC(=O)N3CCOC[C@H]3C2)cc1 2185862257 BRNRAWCZVGDVGX-CQSZACIVSA-N 275.352 0.453 10 10 CCCE C[C@H](N[C@@H]1CCO[C@@H]1C(N)=O)c1ccccc1O 2053779223 FSAAWNNABSDVFL-XRNSZHNASA-N 250.298 0.686 10 10 CCCE NCc1ccc(N2CCC[C@H]2[C@H](O)CO)cc1F 2059280787 RZYFIRGOIOZBME-QWHCGFSZSA-N 254.305 0.606 10 10 CCCE CCn1nnnc1[C@H](O)[C@@H](N)c1ccc(N(C)C)cc1 2196235454 UEGFECHDCJCOCH-NWDGAFQWSA-N 276.344 0.492 10 10 CCCE C[C@@H](N)c1cc(F)c(N(C)C(CO)CO)c(F)c1 2074209665 XGXCMMSONCHVKV-SSDOTTSWSA-N 260.284 0.774 10 10 CCCE COC[C@@](C)(OC)C(=O)NCc1ccc(N)cc1 2077496948 BNVHYKJSPALLEF-CYBMUJFWSA-N 252.314 0.937 10 10 CCCE C[C@@H](c1ccccc1O)N(C)C(=O)[C@H](N)C1COC1 2104894743 PRDRIVKTURTNCT-TVQRCGJNSA-N 264.325 0.885 10 10 CCCE CCS(=O)(=O)N1CCN(c2ccc(CO)cc2)CC1 2087179392 NVZNMTUASBIERT-UHFFFAOYSA-N 284.381 0.651 10 10 CCCE C[C@@H]1CN[C@@H](C(=O)N(C)Cc2ccccc2O)CO1 2109613391 IDWPYOJCRQZKKD-ZYHUDNBSSA-N 264.325 0.728 10 10 CCCE CN(C)[C@@H]1CN(c2ccc(CN)c(F)c2F)C[C@H]1O 2089922826 KYYXAXJGOFEGAG-GHMZBOCLSA-N 271.311 0.535 10 10 CCCE Cc1c([C@H](NN)c2ccc(N(C)C)cc2)nnn1C 2094239149 YJEMOZGSWNFQGM-CYBMUJFWSA-N 260.345 0.742 10 10 CCCE O=[N+]([O-])c1ccc(N2CC(OCCO)C2)cc1CO 2095968778 LOUIJPOMWMLBPF-UHFFFAOYSA-N 268.269 0.285 10 10 CCCE O=C(O)[C@@](O)(CNCc1ccccc1O)C(F)(F)F 2099337395 VKCKLMJETFEFCT-JTQLQIEISA-N 279.214 0.860 10 10 CCCE Nc1ccc(CS(=O)(=O)NC[C@]23CC[C@H]2CNC3)cc1 2200866586 SYMFQPQKAXLPDH-GXTWGEPZSA-N 295.408 0.688 10 10 CCCE COc1cc(N2C[C@H](O)[C@@H](O)CC2(C)C)ccc1CN 2204557956 WFLCMLWTWFIVPY-STQMWFEESA-N 280.368 0.864 10 10 CCCE C[C@H](O)c1ccc(N2CC[C@H](O)[C@@H](O)CC2)cc1O 2269121757 RFXHWSWVEQTZJY-XDTLVQLUSA-N 267.325 0.768 10 10 CCCE COc1ccc(N2CC[C@H](NC(N)=O)C2)c(C(=O)O)c1 2235955160 GTQGLRCGARZMKY-QMMMGPOBSA-N 279.296 0.640 10 10 CCCE Nc1ccc(OCCCN2CCNCCNCC2)cc1 2236198284 XFNJBUFWSHEPFY-UHFFFAOYSA-N 278.400 0.533 10 10 CCCE OCc1ccc(N2C[C@H]3C[C@@H](O)[C@@H](O)C[C@H]3C2)c(F)c1 2236986204 AZQBYPIHZTWCAE-HGSJOUDDSA-N 281.327 0.886 10 10 CCCE COc1ccc(N(C)[C@@H]2CCC(=O)NC2)c(CN)c1 2227686888 XTFAUJVFOHVDOK-LLVKDONJSA-N 263.341 0.869 10 10 CCCE COc1ccc(N2C[C@@H](OC)C[C@H]2CO)c(CN)c1 2227682172 GSQWSUUDGZOWGT-AAEUAGOBSA-N 266.341 0.740 10 10 CCCE CO[C@@H]1CCN[C@H](C)[C@@H]1NC(=O)c1cccc(O)c1O 2238452461 QABRCRUAKIUPGK-FXAINCCUSA-N 280.324 0.593 10 10 CCCE CSc1ncc(CNC[C@@H]2[C@@H]3NCCO[C@H]32)s1 2248739922 VJSAJIGFSOMADI-UTLUCORTSA-N 271.411 0.941 10 10 CCCE COc1n[nH]cc1CNC(=O)c1ccc(O)c(O)c1 2268600573 WJFJRHDJVFXOFL-UHFFFAOYSA-N 263.253 0.760 10 10 CCCE NCc1ccc(N2C[C@@H]3OC[C@@H](CO)O[C@@H]3C2)c(F)c1 2279776083 SDHFMUTWZHDBCD-DDTOSNHZSA-N 282.315 0.249 10 10 CCCE NC12COC(c3nc(-c4ccc(O)c(O)c4)no3)(C1)C2 2280736304 JFOAJENIDBBXRO-UHFFFAOYSA-N 275.264 0.865 10 10 CCCE N[C@H]1C[C@@]2(NC(=O)Cc3ccc(O)c(O)c3)CO[C@H]1C2 2281193342 DQFBYFNWJAQZPJ-WFBYXXMGSA-N 278.308 0.015 10 10 CCCE OC[C@@H]1CN(c2ccc(OC(F)F)cc2)C[C@@H](O)[C@@H]1O 2295854239 CWOWVJCRCCKPAD-XXILOJSOSA-N 289.278 0.438 10 10 CCCE Oc1cc2c(cc1O)CN([C@@H]1CCONC1)CC2 2318670364 YUICKFGREBJUCG-LLVKDONJSA-N 250.298 0.749 10 10 CCCE O=C(NC[C@@H]1C[C@@H]2CC[C@H]1N2)c1cccc(O)c1O 2330509254 AUZQWSVECPVMOI-ATZCPNFKSA-N 262.309 0.968 10 10 CCCE C[C@@H](N)[C@](C)(NCc1ccc2c(c1)CCO2)C(=O)O 2351450317 NNRNXLLITYKJPZ-OTYXRUKQSA-N 264.325 0.902 10 10 CCCE CC[C@H]1C(=O)NCCN1c1ccc2c(c1)NC(=O)[C@@H]2NC 110680343 OAPWHLFXKKEVBC-QWHCGFSZSA-N 288.351 0.614 10 10 CCCE CC(C)NC(=O)CNC(=O)Nc1ccc(N)cc1 36782075 UWFRABUHVAOZKF-UHFFFAOYSA-N 250.302 0.915 10 10 CCCE Nc1ccc(CNS(=O)(=O)c2cn[nH]c2)cc1 37744431 WAIRHQSXEQLIDA-UHFFFAOYSA-N 252.299 0.470 10 10 CCCE CC(=O)N[C@H]1CCN(c2ccc(CN)c(F)c2)C1 133624905 CKEXGQSRFGMOMB-NSHDSACASA-N 251.305 0.999 10 10 CCCE CC1(O)CN(C(=O)CCOc2ccc(N)cc2)C1 227192381 DFMCSBNRYIMJEK-UHFFFAOYSA-N 250.298 0.631 10 10 CCCE CSc1ncc(CNC[C@@H]2CCS(=O)(=O)N2)s1 2208760187 NYGUZNKGVYUXTH-ZETCQYMHSA-N 293.439 0.646 10 10 CCCE CCOc1cccc(CN2CCOC[C@H](O)C2)c1O 294934244 ZQJMULPCSNTAKQ-GFCCVEGCSA-N 267.325 0.984 10 10 CCCE CN1CCc2cc([C@H](N)[C@@]3(O)CN4CC[C@H]3C4)ccc21 2163126566 JXQRNFIENMCSIW-CWRNSKLLSA-N 273.380 0.745 10 10 CCCE O=C(N[C@@H]1C[C@H](C(=O)O)[C@@H]2C[C@H]12)c1ccc(O)c(O)c1 2166187694 SZBIQLNKCMOFBR-XFWSIPNHSA-N 277.276 0.937 10 10 CCCE NC(=O)CN1CCN(Cc2c(O)cccc2Cl)CC1=O 839169108 FUOFEGITPADQNQ-UHFFFAOYSA-N 297.742 0.175 10 10 CCCE O=C(NCc1ccccc1O)NC[C@H]1C[C@@H]2COC[C@@H]2O1 915524213 CIGVVMNPSIXZHE-BZPMIXESSA-N 292.335 0.995 10 10 CCCE COc1ccc(O)c([C@H](C)NC(=O)COC2(C)CNC2)c1 843489213 JBDIDGYVBFBKPR-JTQLQIEISA-N 294.351 0.957 10 10 CCCE COc1ccc(N2CC[C@H](NC(=O)[C@H]3CC(=O)N3)C2)cc1 855223936 JJGMHIIUEXVBAN-GXFFZTMASA-N 289.335 0.279 10 10 CCCE COCCn1ncc(C(=O)OCC(=O)C(C)=O)c1C 869745037 ZYDIKFWRVXBCHM-UHFFFAOYSA-N 268.269 0.153 10 10 CCCE O=C(O)[C@H](F)C1(O)CN(Cc2c(O)cccc2F)C1 1875538396 KMTKWRVZAHBTRF-JTQLQIEISA-N 273.235 0.501 10 10 CCCE COc1ccc(N2CC[C@]3(CNCCO3)C2)c(N)c1 1876395583 MEUWVIAOOJVXMD-AWEZNQCLSA-N 263.341 0.846 10 10 CCCE C[C@@H]1CCN[C@@H]1CNS(=O)(=O)Cc1ccc(N)cc1 1876461168 KQWQHUZRBBREDV-ZWNOBZJWSA-N 283.397 0.686 10 10 CCCE Nc1ccc(CS(=O)(=O)NC[C@H]2[C@H]3CNC[C@H]32)cc1 1876537317 RJVSQEOKBROJLH-CLLJXQQHSA-N 281.381 0.154 10 10 CCCE CC(C)(C)OC(=O)N(CCO)CC(=O)NCCN=[N+]=[N-] 1882284284 AOIHTWONYQFSKC-UHFFFAOYSA-N 287.320 0.642 10 10 CCCE CN(C(=O)c1cc(O)nc(O)c1)[C@@H]1CCCC[C@@H]1O 132830943 QPHXIPOGZPWYEZ-ZJUUUORDSA-N 266.297 0.868 10 10 CCCE Nc1ccc(OCC(=O)N[C@]23CCOC[C@H]2C3)cc1 1880136506 DTFWFRMGSMQBRF-YGRLFVJLSA-N 262.309 0.943 10 10 CCCE CN(C)c1ccc([C@H](N)[C@H](O)[C@@H]2COCCO2)cc1 1889140876 JNAPBTHMXNCAFP-MELADBBJSA-N 266.341 0.529 10 10 CCCE [N-]=[N+]=NCCCNC(=O)CCn1cnc([N+](=O)[O-])c1 706392440 JMIBJORJFFCZPP-UHFFFAOYSA-N 267.249 0.998 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3CCn4cnnc4C3)ccc21 81536392 NKXGDZIJZBNAQX-GFCCVEGCSA-N 270.296 0.250 10 10 CCCE CCCNCc1ccc(N2CC(=O)NC(=O)C2)c(F)c1 97269828 HVNMPSAHPSKPGX-UHFFFAOYSA-N 279.315 0.788 10 10 CCCE O=C(C[C@@H]1COCCO1)NCCc1ccc(O)c(O)c1 1916777784 HOGDQHVDJNLZGY-LLVKDONJSA-N 281.308 0.562 10 10 CCCE Cc1cc(=N)[nH]c(=NCCOc2ccc(N)cc2)[nH]1 2117266694 HAVOUXICNOQAIG-UHFFFAOYSA-N 259.313 0.693 10 10 CCCE N=c1[nH]c(=NCc2ccc(N)cc2)c2cc[nH]c2[nH]1 2117262959 FUPDQCONAPEWKG-UHFFFAOYSA-N 254.297 0.987 10 10 CCCE O=C(CCn1cnccc1=O)NCc1cc(O)ccc1O 1471662181 RTMHFYBVSQMEHA-UHFFFAOYSA-N 289.291 0.361 10 10 CCCE C[C@H](c1ccc(O)cc1O)N1CC[C@H](N)[C@@H](CO)C1 2122391809 MODWYEZAQPYLFC-BREBYQMCSA-N 266.341 0.800 10 10 CCCE COc1ccc(CN[C@@H](C)CN(C)C(=O)C(N)=O)cc1C 1734342711 ZXRWVCLMPXGHRL-NSHDSACASA-N 293.367 0.425 10 10 CCCE COCCNS(=O)(=O)N(C)CCCN=[N+]=[N-] 1912146859 FBDSAAZMCMKUQB-UHFFFAOYSA-N 251.312 0.099 10 10 CCCE C[C@H](C(=O)NC(N)=O)N1CCC[C@@H](CN=[N+]=[N-])C1 1912190376 CNUIWYGXUWXYFI-SFYZADRCSA-N 254.294 0.592 10 10 CCCE CN1CCN(C(=O)CN2CCC[C@@H](CN=[N+]=[N-])C2)CC1 1912210510 KMDBWCWCHNIGSM-LBPRGKRZSA-N 280.376 0.783 10 10 CCCE Cc1nnc2n1C[C@H](C(=O)NCc1ccccc1O)C2 1964892041 ZIFIFZVAFNCOBS-LLVKDONJSA-N 272.308 0.781 10 10 CCCE COC(=O)[C@H]1COCCN1C(=O)CCc1ccc(N)cc1 163386567 OAFSTYOXZJRLNJ-CYBMUJFWSA-N 292.335 0.602 10 10 CCCE CN(C)[C@@H]1CN(c2ccc3c(c2)CC[C@@H]3O)C[C@H]1O 2128324248 BMWARZSJKRGZSF-QLFBSQMISA-N 262.353 0.777 10 10 CCCE CN(c1ccc2c(c1)CC[C@H]2O)[C@H]1CC(=O)NC1=O 2128319569 UUHMUZFSJZWJHS-NWDGAFQWSA-N 260.293 0.518 10 10 CCCE CC(C)C[C@@H](O)CNC(=O)c1cc(O)c(O)c(O)c1 2132348476 MEQPCQKXSQEWPC-SECBINFHSA-N 269.297 0.940 10 10 CCCE CC(C)(CC(=O)O)NC(=O)c1cc(O)c(O)c(O)c1 2132348669 QHXSOAUAHPNQFP-UHFFFAOYSA-N 269.253 0.787 10 10 CCCE CC1(C)CN(C(=O)c2cc(O)c(O)c(O)c2)[C@@H]1CN 2132418823 NUGGGQBXIJJNHB-SNVBAGLBSA-N 266.297 0.613 10 10 CCCE NCc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3C(N)=O)c(F)c1F 2136605918 KMGFSXSYYISXLT-MBTKJCJQSA-N 267.279 0.591 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@H](O)C12CCC2 2136746208 UKJJTRRIMXEBBF-JTQLQIEISA-N 265.265 0.543 10 10 CCCE O=C([C@H]1CNc2ccccc2N1)N1CCO[C@H](CO)C1 229883276 FFRQUMKXBRBDEC-GXFFZTMASA-N 277.324 0.112 10 10 CCCE O=C1C[C@H](NCc2cc(Cl)ccc2O)C(=O)N1 1947012708 PIMDSXZRFOAVQV-QMMMGPOBSA-N 254.673 0.550 10 10 CCCE CN(CC(F)(F)CO)C(=O)[C@@H]1CNc2ccccc2N1 2150967616 OYEDMRKNKIUYST-NSHDSACASA-N 285.294 0.979 10 10 CCCE O=C(c1cccc(O)c1O)N1C[C@@H]2CCS(=O)(=O)[C@H]2C1 2145079716 PDRSNXPEBAWKQE-KWQFWETISA-N 297.332 0.357 10 10 CCCE CCOC(=O)[C@@]1(c2ccccc2O)COCCN1 260558557 NHTCJERHMVZLRH-ZDUSSCGKSA-N 251.282 0.770 10 10 CCCE COCCNCc1ccc(N2CC[C@@H]2C(N)=O)c(F)c1 2145608759 UKDQLOYJNDSIFI-CYBMUJFWSA-N 281.331 0.626 10 10 CCCE CNC(=O)CN(C)CCC(=O)Nc1ccc(N)cc1 37269672 MHPANKCXZHZJJH-UHFFFAOYSA-N 264.329 0.275 10 10 CCCE CNC(=O)CN1CCC(NCc2ccc(N)cc2)CC1 2148949691 XGMQLMVLHATCMO-UHFFFAOYSA-N 276.384 0.569 10 10 CCCE NCc1ccc(N(C[C@@H]2CCS(=O)(=O)N2)C2CC2)cc1 2146189376 RNXZJZDISIMFOG-LBPRGKRZSA-N 295.408 0.806 10 10 CCCE C[C@H](N[C@H](C)CS(N)(=O)=O)c1cc(F)ccc1O 2035455017 SXFSVKAEHIIMAD-SFYZADRCSA-N 276.333 0.859 10 10 CCCE C[C@@]1(O)CCN(C[C@H](O)COc2ccc(N)cc2)C1 300101361 DCUYUEBUVVPNIS-GXTWGEPZSA-N 266.341 0.465 10 10 CCCE O=C1CCCC(=O)N1CCNCc1ccc(O)cc1O 405317926 LICFRRDKJOFXJR-UHFFFAOYSA-N 278.308 0.727 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CCC(O)(CO)CC1 313615983 DMLLEKLGAQJLQD-UHFFFAOYSA-N 267.281 0.057 10 10 CCCE CO[C@@H]1CN(CCOc2ccc(N)cc2)[C@H]2COC[C@H]12 2158354381 SAKPIYKHDCIGLT-SOUVJXGZSA-N 278.352 0.993 10 10 CCCE NCc1ccc(N2C[C@H](O)[C@@H](CO)C2)c(C(F)(F)F)c1 316483022 WSOJZFFNAHOOSR-SKDRFNHKSA-N 290.285 0.954 10 10 CCCE O=C1CC[C@H](CNCc2cc3c(cc2O)OCO3)CN1 2159425514 WSJZSBSAGLNCII-SECBINFHSA-N 278.308 0.737 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCC[C@H](F)C1 689446290 SOUPKJXNJLWNBO-QWRGUYRKSA-N 282.315 0.928 10 10 CCCE COCC(COC)S(=O)(=O)Nc1ccc(O)c(F)c1 688566957 SYQMTQCKPDQTGB-UHFFFAOYSA-N 293.316 0.934 10 10 CCCE C[C@H](CO)CN(C)c1cc2c(cc1N)OCC(=O)N2 688905484 KXLXBFQPWLPRMQ-QMMMGPOBSA-N 265.313 0.664 10 10 CCCE CC(CO)(CO)COc1ccc(N2CCNCC2)cc1 381212300 VHEOVUHFIQDWIV-UHFFFAOYSA-N 280.368 0.466 10 10 CCCE CN(C)C1[C@H]2CN(C(=O)c3ccc(O)c(O)c3)C[C@H]12 384780444 QATWUGCWHSPKPL-UWVGGRQHSA-N 262.309 0.730 10 10 CCCE C[C@@H]1C[C@H](O)CN1c1cc2c(cc1N)OCCO2 385072975 DOYOZKHTGUDJRC-BDAKNGLRSA-N 250.298 1.000 10 10 CCCE C[C@H]1CN(c2cc3c(cc2N)NC(=O)CC3)C[C@H]1O 387936991 WMGWSIBSTMIRQY-ISVAXAHUSA-N 261.325 0.971 10 10 CCCE O=[N+]([O-])c1cc(O)ccc1NS(=O)(=O)C1CNC1 722222527 DHWREBZSJYGHJL-UHFFFAOYSA-N 273.270 0.014 10 10 CCCE CN[C@H](C)C[C@@H](C)NC(=O)c1cc(O)nc(O)c1 721635699 YSLXLABXKVDDAH-HTQZYQBOSA-N 253.302 0.609 10 10 CCCE CCOc1cccc(CN[C@@H]2CONC2=O)c1O 393775110 LVKMRHVXZZKBCJ-SECBINFHSA-N 252.270 0.311 10 10 CCCE C[C@@H]1CN(C(=O)c2ccc(O)c(O)c2)C[C@@H](CCN)O1 2179375156 OIZPAABTMKJWBL-MWLCHTKSSA-N 280.324 0.676 10 10 CCCE C[C@H](COC(=O)[C@H](N)Cc1ccc(O)c(O)c1)N(C)C 2175834433 IXJYCHUSPCDIMY-MWLCHTKSSA-N 282.340 0.461 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3C[C@H](F)[C@@H](CO)C3)ccc21 2177133894 AIGSDCSIWBZETQ-WLTAIBSBSA-N 279.315 0.666 10 10 CCCE C[C@@H](O)c1ccc(N2CCN3C(=O)NC(=O)[C@@H]3C2)cc1 2171305568 SRSDNGRUPWXTLM-SKDRFNHKSA-N 275.308 0.480 10 10 CCCE O=C1C[C@@H](CCNC(=O)c2ccc(O)c(O)c2)CCN1 2182203436 MKIRJLXKFVGNDY-SECBINFHSA-N 278.308 0.744 10 10 CCCE NC[C@H]1C[C@H]2CC[C@H]1N2C(=O)c1cc(O)c(O)c(O)c1 2188908985 HSBMSVHWRWFXNY-OPRDCNLKSA-N 278.308 0.755 10 10 CCCE O=C(NCC[C@@H]1COCCO1)c1cc(O)c(O)c(O)c1 2188911344 BOOKJKNMZANSOR-SECBINFHSA-N 283.280 0.339 10 10 CCCE CC[C@@H](N)c1ccc(N2CC3(C2)OC[C@@H](O)[C@@H]3O)cc1 2183627178 OMCQBKGKOAZWIK-MCIONIFRSA-N 278.352 0.407 10 10 CCCE CS(=O)(=O)N1CCN(c2ccc3c(c2)CC[C@H]3N)CC1 2184729462 JRSAFSVJWVVUHG-CQSZACIVSA-N 295.408 0.714 10 10 CCCE COc1cccc(O)c1[C@@H](NCC1CC1)C(N)=O 2042578677 CUGYQCYONHNZRP-GFCCVEGCSA-N 250.298 0.927 10 10 CCCE Nc1ccc(OCC(=O)N2C[C@H]3[C@H](N)CC[C@H]3C2)cc1 2191714560 PLUKNOIXFDZNQT-ZLKJLUDKSA-N 275.352 0.843 10 10 CCCE C[C@@H]1[C@@H]2CNC[C@@H]2CN1C(=O)COc1ccc(N)cc1 2191714800 RUNVEKUOIYUMNQ-GYSYKLTISA-N 275.352 0.714 10 10 CCCE Cc1cc(N2C[C@H](O)[C@@H](O)C2(C)C)ccc1CO 2060874757 KNGIXJAHIPQZMM-QWHCGFSZSA-N 251.326 0.808 10 10 CCCE [N-]=[N+]=NCCN[C@H](C(N)=O)C1C[C@@H]2CC[C@H](C1)O2 2061103280 XPFRAVKDDSRRTN-UPBARMNASA-N 253.306 0.698 10 10 CCCE Nc1ccc(CCN=c2[nH]nc(C(=O)O)s2)cc1 2062483630 ICCSQIZNFSRVIQ-UHFFFAOYSA-N 264.310 0.895 10 10 CCCE CC(C)(CCN)NS(=O)(=O)Cc1ccc(N)cc1 2071666219 STLRPNJVUQWVAW-UHFFFAOYSA-N 271.386 0.816 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)C2COCCOC2)C1 2083289878 QUOJNNDYFODLQU-VIFPVBQESA-N 254.290 0.808 10 10 CCCE CN(C)c1ccc([C@H](O)c2cn(CCN)cn2)cc1 2106791950 XZOUIYVSCHLJBX-AWEZNQCLSA-N 260.341 0.990 10 10 CCCE CN(C)c1ccc(CNS(=O)(=O)CCCCO)cc1 2087153145 RULXBNPPQIEDLX-UHFFFAOYSA-N 286.397 0.945 10 10 CCCE CCOCCCS(=O)(=O)NCc1cc(N)ccc1O 2088902803 POTFTXFSPIHKAX-UHFFFAOYSA-N 288.369 0.820 10 10 CCCE O=C(O)CC[C@H](O)CNC(=O)c1cccc(O)c1O 2110234064 JIBJFHZQKIERBJ-ZETCQYMHSA-N 269.253 0.053 10 10 CCCE CCN[C@@H](c1ccccc1O)[C@H](O)c1nnn(C)n1 2091858515 JSJNOVSSQBDDLY-QWRGUYRKSA-N 263.301 0.300 10 10 CCCE CCc1cccc(CN[C@H]2COC[C@@H]2S(C)(=O)=O)c1O 2207482856 MYXAYMCBIYIUQI-STQMWFEESA-N 299.392 0.856 10 10 CCCE CSc1ncc(CNCCN(C)S(C)(=O)=O)s1 2208568039 MXPZKHRXCMNIOA-UHFFFAOYSA-N 295.455 0.846 10 10 CCCE O=C(Nc1nnc(Cl)nn1)c1ccc(O)c(O)c1 2219013639 VOLKBMWHLIBBLG-UHFFFAOYSA-N 267.632 0.584 10 10 CCCE C[C@H](O)c1ccc(N2C[C@@H]3COC[C@]3(CO)C2)cc1O 2234564068 BMJCISQHAJULPP-FIXISWKDSA-N 279.336 0.891 10 10 CCCE COc1ccc(N2CCc3c(nnn3C)C2)c(CO)c1 2236000795 BQXZQAVANTZVNM-UHFFFAOYSA-N 274.324 0.879 10 10 CCCE OC[C@H]1C[C@@H](O)CCN1c1ccc2c(c1)OCCO2 2226779518 HQRRCTYOQIKBLF-NEPJUHHUSA-N 265.309 0.780 10 10 CCCE CCN[C@@H](C(N)=O)[C@H](C)Oc1ccc(N(C)C)cc1 2229370421 MTLVZFAWFXYMTM-GXFFZTMASA-N 265.357 0.983 10 10 CCCE CN[C@@H]1COC[C@H]1C(=O)NCc1cnc(SC)s1 2257026646 NPZUGRGQQDQIEE-RKDXNWHRSA-N 287.410 0.716 10 10 CCCE Cc1cc([C@@H](C)O)ccc1N1CC([C@H](O)CO)C1 2315270602 OLLZAOQIAQJZME-QMTHXVAHSA-N 251.326 0.838 10 10 CCCE CCS(=O)(=O)N(C)Nc1nc(C)c(CC(=O)O)s1 2317458000 PIKNLRBBINQVQA-UHFFFAOYSA-N 293.370 0.687 10 10 CCCE O=S1(=O)C[C@H]2CN(c3ccc4c(c3)CC[C@@H]4O)C[C@@H]21 2336466242 PPMXJJOZSMZHKG-SWHYSGLUSA-N 279.361 0.899 10 10 CCCE CN[C@@H]1CCc2cc(N3CC([C@@H](O)CO)C3)ccc21 2336772259 UUTMXHLHKWPVSP-CABCVRRESA-N 262.353 0.683 10 10 CCCE COc1ccc(CN(C)CC(=O)N2CCOCC2)c(O)c1 179677606 RTAIAFBQVQUCFD-UHFFFAOYSA-N 294.351 0.691 10 10 CCCE COC(=O)CSC[C@H](O)COc1ccc(N)cc1 51328507 VRETVKTZDZANIC-SNVBAGLBSA-N 271.338 0.915 10 10 CCCE Cc1ccc(C(=O)NC[C@@H](C)N2CCOCC2)c(O)c1O 177670968 KIAMJZZVJFYOFS-LLVKDONJSA-N 294.351 0.857 10 10 CCCE Cc1nnc(NS(=O)(=O)Cc2ccc(N)cc2)o1 127672610 XLEVNSVTHAHDAE-UHFFFAOYSA-N 268.298 0.902 10 10 CCCE NC(=O)CN(CCCCO)Cc1ccc(N)cc1 43445824 XDPRGBCRCPMUJC-UHFFFAOYSA-N 251.330 0.329 10 10 CCCE COc1cccc([C@@H]2NC(=O)[C@H]3COCCN32)c1O 93883298 DMUUGMZGVKMIJI-BXKDBHETSA-N 264.281 0.230 10 10 CCCE CC(=O)c1cc(F)cc(CN2CC[C@](O)(C(N)=O)C2)c1O 276480337 RYAKMECXLSTANJ-CQSZACIVSA-N 296.298 0.156 10 10 CCCE CCNC(=O)C1CN(c2cc3c(cc2N)OCCO3)C1 2168054793 HRPSGEFWGGWVET-UHFFFAOYSA-N 277.324 0.612 10 10 CCCE CC[C@@H]1CN(c2ccc3c(c2)NC(=O)[C@@H]3N)C[C@H]1O 399999991 YBYWCKYGIQQQBX-BZHVJNSISA-N 261.325 0.846 10 10 CCCE C[C@@H]1OCC[C@@H]1[S@](=O)C[C@@H](O)COc1ccc(N)cc1 722442627 MAFREWFKKPHZIC-GECZGXSXSA-N 299.392 0.935 10 10 CCCE C[C@H](NC[C@@]1(CO)COCCN1C)c1ccc(F)cc1O 903283905 YBQLRKKTTXZLCK-XHDPSFHLSA-N 298.358 0.875 10 10 CCCE COC(=O)N[C@H]1CCN(C(=O)c2ccc(C)c(O)c2O)C1 924485280 LVAIDJPLQFERSC-VIFPVBQESA-N 294.307 0.977 10 10 CCCE COCc1nc(C(=O)NCc2ccccc2O)n(C)n1 853800285 AQHIMWRSHYLHLU-UHFFFAOYSA-N 276.296 0.597 10 10 CCCE Oc1c(F)cccc1CN[C@H]1CCn2nnnc2C1 1875665876 DYTVJCMTHQQMDH-VIFPVBQESA-N 263.276 0.622 10 10 CCCE Nc1ccc(OCC(=O)NC2(C3CNC3)CC2)cc1 1876451066 KAQCDUZWASMIOB-UHFFFAOYSA-N 261.325 0.516 10 10 CCCE C[C@H](O)CNCCNC(=O)CCc1ccc(N)cc1 1876513293 DWSRLZCGMDWRRR-NSHDSACASA-N 265.357 0.288 10 10 CCCE O=C(N[C@H]1CCN2CC[C@H]1C2)c1cccc(O)c1O 1877893039 SFWPVYGAFVTGKM-ONGXEEELSA-N 262.309 0.922 10 10 CCCE COc1cccc(O)c1CN(C)C1CS(=O)(=O)C1 895401330 ZRIOALGRBVSKOQ-UHFFFAOYSA-N 271.338 0.630 10 10 CCCE CS(=O)(=O)CCOCCC(=O)Nc1ccc(N)cc1 2133382450 VUDFFSMCUOIVLW-UHFFFAOYSA-N 286.353 0.659 10 10 CCCE C[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@@H]1O 1566466573 CRCONFZGSUBPJV-PELKAZGASA-N 251.282 0.480 10 10 CCCE CCOc1cccc(CNC(=O)[C@H](O)CCN)c1O 83497264 NZTXIRBBEYCXQB-SNVBAGLBSA-N 268.313 0.117 10 10 CCCE C[C@H]1CN2CCN1C[C@@H]2C(=O)NCc1c(O)cccc1F 1349385464 ZRCHDHWOSIFTHX-GXFFZTMASA-N 293.342 0.536 10 10 CCCE Cn1cnnc1CNC(=O)c1c(F)ccc(O)c1O 1457524924 CEIHGMJPGXCPIZ-UHFFFAOYSA-N 266.232 0.295 10 10 CCCE O=S1(=O)C[C@H]2[C@H](CNCc3cccc(F)c3O)[C@H]2C1 2117990185 OPYPAQQGHLXAIZ-RTCCRHLQSA-N 285.340 0.912 10 10 CCCE COCCS(=O)(=O)CCOCCc1ccc(N)cc1 2119729775 LKRIEHKJYSCBNR-UHFFFAOYSA-N 287.381 0.889 10 10 CCCE Cn1nncc1CCNC(=O)c1ccc(O)c(O)c1 2123266706 KZDJRZVBFRCNPN-UHFFFAOYSA-N 262.269 0.199 10 10 CCCE CC(C)C[C@H](NS(C)(=O)=O)C(=O)N(C)CCN=[N+]=[N-] 1912144888 YGIHLHRKWDEMIT-VIFPVBQESA-N 291.377 0.719 10 10 CCCE CN1[C@H](CN2CC[C@@H](CN=[N+]=[N-])C2)CCS1(=O)=O 1912186353 COBFUTBYSIECBB-UWVGGRQHSA-N 273.362 0.653 10 10 CCCE COC(=O)C[C@H](C)C(=O)NCc1c(O)cccc1O 1597574154 ISQSBWWDRVQIQF-QMMMGPOBSA-N 267.281 0.913 10 10 CCCE CC1(C)C[C@@H](S(=O)(=O)NCc2ccccc2O)CN1 2127964045 GVYCADUTSMVBLA-LLVKDONJSA-N 284.381 0.952 10 10 CCCE NC[C@@H]1CCCN1c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 156227576 RSKGXNPBDLGRGS-QMMMGPOBSA-N 292.295 0.853 10 10 CCCE Nc1ccc(NC(=O)c2cnc3nc[nH]n3c2=O)cc1 1866071284 XKDFNJKZYULIET-UHFFFAOYSA-N 270.252 0.252 10 10 CCCE COc1ccc(N2C[C@@H](O)CC23CNC3)cc1OC 2130052988 FZWBRBXBRFFBKX-NSHDSACASA-N 264.325 0.617 10 10 CCCE CN1C[C@@H]2C[C@H]1CN2c1ccc2c(c1)NC(=O)[C@@H]2N 2131040384 IKIGXYKLKFTHDQ-OUJBWJOFSA-N 258.325 0.531 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CCN[C@H]2CC[C@@H]21 2132420140 ZOLKRLOTCDQVNL-IUCAKERBSA-N 264.281 0.380 10 10 CCCE Cc1c(OCC(N)=O)c(=O)ccn1Cc1ccc(N)cc1 1857917831 MXKYGXQGZPHMIN-UHFFFAOYSA-N 287.319 0.651 10 10 CCCE CN(Cc1ccc(N)cc1)S(=O)(=O)N1CC[C@H](O)C1 1914154742 VIKGONMLPGGAIE-LBPRGKRZSA-N 285.369 0.012 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2CO)cc1 1905554815 FMAYYKXFLLNGCB-DRZSPHRISA-N 282.365 0.411 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1C[C@@H]2C[C@@H]2[C@H]1CO 1905845953 CSQJNLMHETXJOH-GARJFASQSA-N 263.293 0.480 10 10 CCCE CCN(C(=O)Cc1ccc(O)c(O)c1)[C@@H]1CCNC1 1969330559 XGCZQHUDIGWNGT-LLVKDONJSA-N 264.325 0.851 10 10 CCCE COc1cc(N(C)[C@H]2CCCNC2=O)ccc1CN 2139699904 BPZZUJOTGDVTJF-LBPRGKRZSA-N 263.341 0.869 10 10 CCCE O=C(NC1(C(=O)O)CC=CC1)c1cc(O)nc(O)c1 1923179605 DOZCRMMAHINVDK-UHFFFAOYSA-N 264.237 0.396 10 10 CCCE COc1ccc(N2CC[C@@H]([C@@](C)(O)CO)C2)c(N)c1 2138104882 TYXIXKOHSPODAH-YGRLFVJLSA-N 266.341 0.847 10 10 CCCE O=[N+]([O-])c1cc(CO)ccc1N1C[C@H]2[C@H](O)C[C@H]2C1 1971797490 UNAULZFFRSWXDX-OPQQBVKSSA-N 264.281 0.904 10 10 CCCE COc1cccc(CNC[C@@H]2CCS2(=O)=O)c1O 1972329240 VMNBCJDLOQZZGU-JTQLQIEISA-N 271.338 0.678 10 10 CCCE NCc1ccc(N2CC[C@@H](OCC(N)=O)C2)c(F)c1F 2145371654 NVTKRFYSBNQIIC-SECBINFHSA-N 285.294 0.504 10 10 CCCE Nc1ccc(NC(=O)CCN2CC[C@H](CO)C2)cc1 161588177 SGRFBOXYPBXQHT-NSHDSACASA-N 263.341 0.912 10 10 CCCE CN(C)[C@@H]1CN(c2ccc(CO)cc2[N+](=O)[O-])C[C@@H]1O 2146159092 USAAIVQHHLSGEL-OLZOCXBDSA-N 281.312 0.198 10 10 CCCE CN(C)c1ccc(CNS(=O)(=O)[C@H]2C[C@@H](CO)C2)cc1 2157796493 XZUJDXYKNPSEOS-XBXGTLAGSA-N 298.408 0.943 10 10 CCCE CCOC(=O)[C@@H](COCCOC)NCCN=[N+]=[N-] 310899929 DZMJVESMXXQFNA-SECBINFHSA-N 260.294 0.481 10 10 CCCE COc1cc(C(=O)NCc2ccc(N)cc2)nn1C 311723898 MTZUJEUEHGXEMI-UHFFFAOYSA-N 260.297 0.941 10 10 CCCE NCc1ccc(N2C[C@@H](O)[C@@H](CO)C2)c(C(F)(F)F)c1 316483019 WSOJZFFNAHOOSR-BXKDBHETSA-N 290.285 0.954 10 10 CCCE NC(=O)N[C@@H]1CCCN(C(=O)c2cccc(O)c2O)C1 702166567 SHEDWYDICIBPGG-MRVPVSSYSA-N 279.296 0.371 10 10 CCCE CN(C)c1ccc([C@H](O)C[C@@H]2CS(=O)(=O)CCN2)cc1 2163064695 YEOADDLYKONDER-TZMCWYRMSA-N 298.408 0.563 10 10 CCCE C[C@@H]1CN(C(=O)COc2ccc(N)cc2)C[C@H]1CO 709098667 KJUFVHDSFDRLDC-MNOVXSKESA-N 264.325 0.734 10 10 CCCE C[C@@H]1CN(CC(=O)N(C)c2ccc(N)cc2)C[C@H]1CO 709396126 AFDMNBTYTQUBGK-NEPJUHHUSA-N 277.368 0.792 10 10 CCCE COc1ccc(O)c(CN[C@@H]2COCC[C@@H]2O)c1 710877890 BUNGCUAKRSYTMA-YPMHNXCESA-N 253.298 0.640 10 10 CCCE CO[C@@H]1C[C@H](CO)N(C(=O)c2cccc(O)c2O)C1 381989501 JSFWWAGQZFBQDU-RKDXNWHRSA-N 267.281 0.320 10 10 CCCE COc1ccc(N(CCCN)CC2(CO)COC2)cc1 384438319 XFHLNTLQUKXRJX-UHFFFAOYSA-N 280.368 0.859 10 10 CCCE CO[C@@H]1COCC[C@H]1NC(=O)c1ccc(O)c(O)c1 389168952 GRDQUNDXJLUJKZ-BXKDBHETSA-N 267.281 0.632 10 10 CCCE C[C@@H](NS(=O)(=O)C1CNC1)c1ccccc1O 923668193 DNTLKRURVMAPME-MRVPVSSYSA-N 256.327 0.344 10 10 CCCE O=C1Nc2cc(N3CC=CC[C@H]3CO)c(F)cc2[C@H]1O 2176378421 SPPDIHGXUGTWCQ-ISVAXAHUSA-N 278.283 0.938 10 10 CCCE C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)c1cccc(O)c1O 1293729665 LXCTXBCNEBYMCP-IUCAKERBSA-N 299.348 0.745 10 10 CCCE C[C@@H]1SC[C@@H](C(=O)O)N1C(=O)c1cc(O)c(O)c(O)c1 2188867722 FTFXBZOWKDKFRF-FSPLSTOPSA-N 299.304 0.792 10 10 CCCE CC1(C)[C@H](CN)C[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2188917692 YXIFHPCMIRTISS-GZMMTYOYSA-N 280.324 0.907 10 10 CCCE CN(CCCOc1ccc(N)cc1)Cc1nnn(C)n1 2197877118 QKQVFIADZNBGTC-UHFFFAOYSA-N 276.344 0.693 10 10 CCCE CNC(=O)[C@H]1COCCN1c1ccc2c(c1)CC[C@H]2N 2184726573 KNQRWNIMRMRHLB-ZIAGYGMSSA-N 275.352 0.584 10 10 CCCE COCCN(c1cc2c(cc1N)OCCO2)C1CNC1 2191614382 HOMHULUVAYQREZ-UHFFFAOYSA-N 279.340 0.465 10 10 CCCE COC[C@]1(NC(=O)Cc2ccc(N)cc2)CCCNC1 2191666697 YIFJXOWLWPHFGV-HNNXBMFYSA-N 277.368 0.696 10 10 CCCE Nc1ccc(CCC(=O)N2CCO[C@@H]3CNC[C@@H]32)cc1 2191718999 DJWMJPMNMCKEOA-UONOGXRCSA-N 275.352 0.401 10 10 CCCE CO[C@H]1CN(Cc2cc(F)cc(F)c2O)C[C@H]1N 2058769309 VRUNSAVCPAGGBH-MNOVXSKESA-N 258.268 0.828 10 10 CCCE CN([C@H]1C[C@H](O)C1)S(=O)(=O)Cc1ccc(N)cc1 2058951808 ZRUWDGFGUJKMSR-HAQNSBGRSA-N 270.354 0.554 10 10 CCCE COC[C@H](C)NC(=O)CN1CCC[C@H]1CN=[N+]=[N-] 2059061152 WLHGTNXAFAQHIS-UWVGGRQHSA-N 255.322 0.912 10 10 CCCE C[C@H](NC(=O)[C@@H]1CO[C@H]2CNC[C@@H]12)c1ccccc1O 2192623763 STTGZRRXXORILH-ZKCLLBTKSA-N 276.336 0.804 10 10 CCCE CN(C(=O)c1ccc(O)c(O)c1)C1CC(CO)C1 2073296997 UYALZQOFWIYRBK-UHFFFAOYSA-N 251.282 0.941 10 10 CCCE Nc1ccc(CCC(=O)N2CCNC(=O)C23CC3)cc1 2188548048 IHTJVNBBOVOJIZ-UHFFFAOYSA-N 273.336 0.692 10 10 CCCE Nc1ccc(CS(=O)(=O)NC[C@H]2C=CCN2)cc1 2078291003 CFTDBTUEUKPPLU-GFCCVEGCSA-N 267.354 0.216 10 10 CCCE N[C@@H]1CCC[C@H](CNC(=O)c2cc(O)nc(O)c2)C1 2100298929 LJCIZAABAZFTJJ-WCBMZHEXSA-N 265.313 0.740 10 10 CCCE COC(=O)[C@@H](c1c(O)cccc1F)N1CCNCC1 2104473381 IVYVODZIBLEQDL-GFCCVEGCSA-N 268.288 0.651 10 10 CCCE CCNCc1ccc(N2C[C@H]3C[C@H]2[C@H](O)[C@H]3O)cc1 2104426863 VGYYOQCOSSKPNP-UNQGMJICSA-N 262.353 0.726 10 10 CCCE CN[C@H]1CC[C@H](C)N(C(=O)c2cc(O)nc(O)c2)C1 2087254143 OEAFWQCLLDEESN-WPRPVWTQSA-N 265.313 0.705 10 10 CCCE Oc1cc2c(cc1CN[C@@H]1C[C@H](O)C[C@H]1O)OCO2 2108796751 FLEFLFOOLLFVQW-IQJOONFLSA-N 267.281 0.095 10 10 CCCE CCN(Cc1ccc(N)cc1)C(=O)Cn1cncn1 2090273364 GIUURVMGTZACJJ-UHFFFAOYSA-N 259.313 0.909 10 10 CCCE Cc1nc([C@H](NN)c2ccc(N(C)C)cc2)n(C)n1 2093409871 DPFCHYUSNIMVQL-GFCCVEGCSA-N 260.345 0.742 10 10 CCCE COc1ccc(N2CCN3C(=O)OC[C@H]3C2)c(N)c1 2114271660 JYWKNNZUQVOASY-SECBINFHSA-N 263.297 0.918 10 10 CCCE CO[C@@H]1CS(=O)(=O)C[C@H]1N(C)Cc1ccc(C)cc1O 2204670033 LXQGJWVGVZLFKZ-TZMCWYRMSA-N 299.392 0.944 10 10 CCCE Cc1cccc(CNS(=O)(=O)[C@@H](C(=O)O)C2CC2)c1O 2204611470 WCGUCIQLGJQTGU-GFCCVEGCSA-N 299.348 0.983 10 10 CCCE COc1ccc(O)c(CN2[C@H]3CCNC[C@H]2COC3)c1 2204636194 XLSIPTWLQODMLX-STQMWFEESA-N 278.352 0.964 10 10 CCCE COc1ccc(N2C[C@@H]3OCCO[C@H]3C2)c(CCN)c1 2235977931 XEGYXXDFFRINCU-GJZGRUSLSA-N 278.352 0.800 10 10 CCCE COc1ccc(N2CC3(C2)OCCC[C@H]3O)c(CO)c1 2236003727 TVPKTENUSOHZSV-CQSZACIVSA-N 279.336 0.918 10 10 CCCE Nc1ccc(OCCN2C[C@@H](CO)C[C@@H](CO)C2)cc1 2236627079 FNMAPSVDVAOVBK-BETUJISGSA-N 280.368 0.570 10 10 CCCE COc1ccc(N2CC[C@H](O)C[C@H]2CO)c(CO)c1 2227675572 JOEYNCOERZYVQQ-RYUDHWBXSA-N 267.325 0.510 10 10 CCCE Nc1ccc(CCN2C[C@@H](CO)C[C@@H](CO)C2)cc1 2228399958 NVTYXQGIZUKLGY-OKILXGFUSA-N 264.369 0.734 10 10 CCCE CN(C)c1ccc([C@@H](O)[C@@]2(C(=O)O)C=CCN2)cc1 2228856424 MUZASLIYLDOLEK-TZMCWYRMSA-N 262.309 0.769 10 10 CCCE Cc1cc(CN)ccc1N1CC[C@H](O)[C@H](O)CC1 2256977993 OBJSKFJRJSCJRW-OKILXGFUSA-N 250.342 0.776 10 10 CCCE Cc1cc(N2CC[C@@](O)(CO)C2)ccc1[C@@H](C)N 2257455969 BHZOAWCYNICCKO-RISCZKNCSA-N 250.342 0.948 10 10 CCCE NCc1ccc(N2CC[C@H]2[C@@H](O)CO)c(Cl)c1 2249580790 YTBRILQKDXNSOQ-RYUDHWBXSA-N 256.733 0.731 10 10 CCCE COc1ccc(N2CC3(C2)OC[C@@H](O)[C@@H]3O)c(C)c1C 2284599226 PKPGCMVGBYEPGO-OCCSQVGLSA-N 279.336 0.623 10 10 CCCE Cc1cc(N2C[C@H]3C(=O)NC(=O)[C@H]3C2)ccc1[C@@H](C)N 2285123851 JAPWYEMQVCCMLF-WQAKAFBOSA-N 273.336 0.724 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CCn4cncc4C3)ccc21 2286509150 WTLKDNYMLGMMNU-ZDUSSCGKSA-N 269.308 0.855 10 10 CCCE COc1cccc(C=C2C(=O)NC(=O)N(C)C2=O)c1OC 2297327060 QABQSKZELYEVFP-UHFFFAOYSA-N 290.275 0.795 10 10 CCCE [N-]=[N+]=NC1CN(C(=O)[C@@]2(O)C[C@@H]2C(F)(F)F)C1 2303893580 YCCZSXJOWFLYRC-CAHLUQPWSA-N 250.180 0.821 10 10 CCCE C[C@H]1Cc2cc(N3C[C@@H](O)[C@@H](O)[C@@H]3CF)ccc2O1 2333687014 KABUQQAWKLBTKA-VVHPZPEWSA-N 267.300 0.890 10 10 CCCE CN(CCN=[N+]=[N-])C(=O)[C@H]1[C@H](C(=O)O)[C@@H]2CC[C@H]1O2 2333612950 GJDXDLPQVBADPB-BZNPZCIMSA-N 268.273 0.633 10 10 CCCE CN1CC[C@H]1COC[C@H](O)COc1ccc(N)cc1 2335384234 ISRXQOIOEXWOIE-STQMWFEESA-N 266.341 0.729 10 10 CCCE O=C(N[C@]12C[C@](C(=O)O)(C1)C2)c1ccc(O)c(O)c1 2344115594 LNDIIJUGHHILIT-BETUJISGSA-N 263.249 0.835 10 10 CCCE COC(=O)[C@@H]1C[C@H](N)CN(c2ccc3c(c2)OCO3)C1 108216506 ISBNEFGKLZDVMQ-ZJUUUORDSA-N 278.308 0.742 10 10 CCCE O=C(CCNCc1ccc(O)cc1O)NC1CC1 112836692 DQEAZYATZCDMIU-UHFFFAOYSA-N 250.298 0.856 10 10 CCCE Oc1cccc(Cl)c1CNCCc1nnn[nH]1 310238351 BFTGIQTZRCCNAU-UHFFFAOYSA-N 253.693 0.891 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCCCF 302467221 XSCAJICBLCKUAP-VIFPVBQESA-N 256.277 0.443 10 10 CCCE C[C@@H]1C[C@H](CN)CN1C(=O)c1ccc(O)c(O)c1 235276828 ATAZBELHIMVNJU-RKDXNWHRSA-N 250.298 0.907 10 10 CCCE NCc1ccc(N2CCOC[C@@H]2C(N)=O)c(Cl)c1 158802270 AVBAAIAPTRYEBJ-LLVKDONJSA-N 269.732 0.489 10 10 CCCE COC[C@@H](C)NC(=O)CN(C)c1ccc(N)cc1 49291253 GAFNKZZFGIURDJ-SNVBAGLBSA-N 251.330 0.856 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N3CCn4cnnc4C3)ccc21 81536536 WECFFFUKAHQLTI-CYBMUJFWSA-N 284.323 0.511 10 10 CCCE COCCN(CCOC)C(=O)c1ccc(O)c(O)c1 226951486 YRQNABONBYXCSN-UHFFFAOYSA-N 269.297 0.833 10 10 CCCE COc1cccc([C@H]2NC(=O)[C@@H]3COCCN32)c1O 93883301 DMUUGMZGVKMIJI-CABZTGNLSA-N 264.281 0.230 10 10 CCCE O=C1N[C@@H](Cc2ccc(O)c(O)c2)C(=O)N1[C@@H]1CCOC1 94891330 CKYZPTFEHRYRIJ-ZJUUUORDSA-N 292.291 0.350 10 10 CCCE CN(c1cc2c(cc1[N+](=O)[O-])OCCO2)C1CNC1 90290636 LLZXBPVVEBVDNT-UHFFFAOYSA-N 265.269 0.774 10 10 CCCE Oc1cc2c(cc1CN1C[C@H]3COC[C@@H](C1)O3)[C@@H](O)CO2 800864029 NJSOADDHHSOGMS-WDMOLILDSA-N 293.319 0.418 10 10 CCCE CC(=O)C(=O)COC(=O)c1ccc2c(c1)ncn2C 808528667 KNGKCIZVUDWYJV-UHFFFAOYSA-N 260.249 0.888 10 10 CCCE CCC1(CC)C(=O)N(C)C(=O)N(CC(=O)C(C)=O)C1=O 813578069 KLCPWEAMEAFFSE-UHFFFAOYSA-N 282.296 0.372 10 10 CCCE CCOC(=O)[C@H](N)C(=O)NCc1ccc(N(C)C)cc1C 852870179 BEMYBGHLBXMUJL-CYBMUJFWSA-N 293.367 0.568 10 10 CCCE C[C@H](NCc1ccc(N2CCOCC2)cc1)[C@@H](O)CO 698979236 VHBBQBIEIJVLOZ-WFASDCNBSA-N 280.368 0.355 10 10 CCCE NC(=O)c1cccc(N)c1N[C@@H]1[C@@H]2CCCCN[C@H]21 1876453358 KFUXTUAOUWKBJO-BZHVJNSISA-N 260.341 0.920 10 10 CCCE Nc1ccc(CCC(=O)N[C@H]2CCOC[C@@H]2N)cc1 1876440056 QXTXKFZNGUJMAV-STQMWFEESA-N 263.341 0.434 10 10 CCCE C[C@H](NC(=O)[C@H](N)[C@@H]1CCOC1)c1ccccc1O 1877587707 POQQTCVHCRZJEA-OPQQBVKSSA-N 264.325 0.933 10 10 CCCE Oc1ccc2c(c1O)[C@H]([C@H]1C[C@@H](O)CN1)NCC2 83724730 DBCSNFMEZJWPNN-LNLATYFQSA-N 250.298 0.007 10 10 CCCE CN1CC[C@@H]1CNS(=O)(=O)CCOc1ccc(N)cc1 710173922 QVGHLXBMYSPMGR-GFCCVEGCSA-N 299.396 0.271 10 10 CCCE CCc1cccc(CNCCCS(N)(=O)=O)c1O 691498683 CZISKPZMOPZHGL-UHFFFAOYSA-N 272.370 0.723 10 10 CCCE O=C(NC[C@@H]1[C@@H](C(=O)O)C1(F)F)c1cccc(O)c1O 715368770 LMBZVYQBPJYUPA-SVRRBLITSA-N 287.218 0.794 10 10 CCCE COc1ccc(N2CCN(C[C@@](C)(O)CN)CC2)cc1 70521693 NFFACKUTHWWJFT-HNNXBMFYSA-N 279.384 0.527 10 10 CCCE Cc1nc(NCc2ccc(N)cc2)cc2n[nH]c(=O)n12 90670547 GEWPIPNGCBUOCE-UHFFFAOYSA-N 270.296 0.920 10 10 CCCE COC(=O)[C@](C)(N)[C@](C)(O)c1ccc(N(C)C)cc1 2121964941 DBIJWBGGEFLECT-UONOGXRCSA-N 266.341 0.851 10 10 CCCE C[C@H](c1c(O)cccc1O)N1CC[C@@H](N)[C@H](CO)C1 2122391536 LRCVAJGJJRBZIP-OUAUKWLOSA-N 266.341 0.800 10 10 CCCE CN(C[C@H]1CNCCN1C)c1ccc2c(c1)OCO2 216987849 ANIPOXHQLOPZKN-GFCCVEGCSA-N 263.341 0.755 10 10 CCCE C[C@H]1CN(c2ccc3c(c2)OCO3)[C@H](CN)C(=O)N1 216975711 KMMQMZZGNPCTLN-WCBMZHEXSA-N 263.297 0.067 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1CCS(=O)(=O)C1 1625185992 VRVKPHSYYUAMKM-JTQLQIEISA-N 299.348 0.191 10 10 CCCE Cn1nc(C(=O)NCc2ccccc2O)cc1C=O 1566374216 YWWIOOXBALGLRT-UHFFFAOYSA-N 259.265 0.868 10 10 CCCE Oc1cccc2c1CN(c1ccc3nnnn3n1)C2 1651353229 NEEZRZTYOGEOEI-UHFFFAOYSA-N 254.253 0.745 10 10 CCCE C[C@H](O)[C@H]1CCN1C[C@H](O)COc1ccc(N)cc1 2125822397 MOBMMQZLCOGUPN-VHRBIJSZSA-N 266.341 0.464 10 10 CCCE Cn1nc(O)cc1C(=O)N1CC[C@@H](CN=[N+]=[N-])C1 1912145848 LZLKPYJCDDZRLU-ZETCQYMHSA-N 250.262 0.898 10 10 CCCE CO[C@H](C(=O)N1CC[C@@H](N=[N+]=[N-])C1)[C@H]1CCOC1 1912160189 RUWLAZNKFAXSMP-AEJSXWLSSA-N 254.290 0.949 10 10 CCCE C[C@H]1Cc2ccccc2N1C(=O)C[C@H]1C(=O)NN(C)C1=O 169996334 RHGWHHGNTFSCMN-ONGXEEELSA-N 287.319 0.474 10 10 CCCE Nc1ccc(NC(=O)c2cnc3[nH]ncn3c2=O)cc1 1866224729 BITYOCYGSNGTNL-UHFFFAOYSA-N 270.252 0.252 10 10 CCCE CCCN[C@@H](C)CNC(=O)c1cc(O)c(O)c(O)c1 2132403996 OINBSCQVNQKMLN-QMMMGPOBSA-N 268.313 0.921 10 10 CCCE Cc1cccc(CNC(=O)[C@@H]2COCC[C@H]2N)c1O 2139751395 RZNLGHYIOXMTLK-VXGBXAGGSA-N 264.325 0.681 10 10 CCCE Cc1cccc(CNC(=O)CN2CSCC2=O)c1O 2139750600 JWDZXNLFXVXVHR-UHFFFAOYSA-N 280.349 0.850 10 10 CCCE CO[C@@H]1C[C@H](C(=O)O)N(Cc2ccc(O)cc2O)C1 2136360326 RQENMFZZMWZHQG-GHMZBOCLSA-N 267.281 0.772 10 10 CCCE O=C(Nc1snnc1C(=O)O)c1ccc(O)c(O)c1 1923410350 VPRCRSQKEPPIKY-UHFFFAOYSA-N 281.249 0.900 10 10 CCCE NC(=O)CN(Cc1ccc(N)cc1)c1ncc(F)cn1 228130640 VFRDOODDOTZNPL-UHFFFAOYSA-N 275.287 0.690 10 10 CCCE N[C@@H](CC(=O)NCCc1ccc(O)c(O)c1)C1CC1 1968739318 OHLFVHOYCSNBRX-NSHDSACASA-N 264.325 0.884 10 10 CCCE COCC[S@](=O)CCNCc1cc(OC)ccc1O 2142034810 GYNRGIZUUXJHFE-LJQANCHMSA-N 287.381 0.886 10 10 CCCE C[C@@H]1OCCO[C@H]1C(=O)NCCOc1ccc(N)cc1 2143700604 NXYRXJFLIOPWPL-GXFFZTMASA-N 280.324 0.568 10 10 CCCE CCOC(=O)C[C@](C)(N)c1ccc(O)c(O)c1O 1951961509 IFUIQPYIGYNINF-LBPRGKRZSA-N 255.270 0.931 10 10 CCCE COc1cc([C@H](OC)[C@@H](N)C(=O)O)cc(O)c1O 1952535401 OKDYXTYPEONCNR-SCZZXKLOSA-N 257.242 0.206 10 10 CCCE Cc1cn(CCNS(=O)(=O)Cc2ccc(N)cc2)nn1 2150684685 KUEPHRYJRJVPQQ-UHFFFAOYSA-N 295.368 0.288 10 10 CCCE CN(C)CCc1ccc(O)c(CN2CCNCC2)c1 258329147 CGVDLYWOODDGCX-UHFFFAOYSA-N 263.385 0.902 10 10 CCCE COC(=O)c1cc([C@H](N)CC(=O)O)c(O)cc1O 258503850 XSPUZQGYOZEYQA-SSDOTTSWSA-N 255.226 0.359 10 10 CCCE CN1CCc2cc([C@H](O)[C@H]3CCN(C)S3(=O)=O)ccc21 2145766296 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CN(CCCN=[N+]=[N-])C[C@@H](O)CN1CCCC1=O 2050538450 MYOIHTHPPNNZLS-SNVBAGLBSA-N 255.322 0.602 10 10 CCCE CN(CCN1CCOCC1)c1ccc(CO)cc1 2050760712 SLCFZSPRJNKHKE-UHFFFAOYSA-N 250.342 0.947 10 10 CCCE CN(C[C@H]1CCN1C)c1cc2c(cc1F)[C@H](O)C(=O)N2 2186469186 PGPMRDMNLBSNDU-OQPBUACISA-N 279.315 0.952 10 10 CCCE N[C@H]1CCN(Cc2c(O)cccc2F)C[C@H]1CO 2058552810 SIRDWTOJEJZIQI-CABZTGNLSA-N 254.305 0.673 10 10 CCCE COCCOC[C@H](O)CN1CCC[C@H]1CN=[N+]=[N-] 2059054389 WQBFOJPUXKTBRN-WDEREUQCSA-N 258.322 0.785 10 10 CCCE CC(C)[C@H](N)CNS(=O)(=O)Cc1ccc(N)cc1 2071663662 IMFSCGUACJCZDF-GFCCVEGCSA-N 271.386 0.672 10 10 CCCE C[C@@H](O)c1ccc(N2C[C@H](O)[C@@H](N(C)C)C2)c(F)c1 2089923939 RTSVPFZWFSSNKQ-IIMNLJJBSA-N 268.332 0.990 10 10 CCCE Nc1cc2c(cc1N1CC([C@@H](F)CO)C1)OCCO2 2110583938 KFIWMYCMGLAQJE-VIFPVBQESA-N 268.288 0.807 10 10 CCCE CS(=O)(=O)C1CN(c2cc3c(cc2N)OCCO3)C1 2095964574 JUCVIWVHIZHQLG-UHFFFAOYSA-N 284.337 0.273 10 10 CCCE Nc1ccc(CC(=O)N[C@H]2CO[C@@]3(CCNC3)C2)cc1 2201735557 MOVBYDZHXURRHN-HIFRSBDPSA-N 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C[P@@]1(=O)C[C@@H](O)[C@H](NC(=O)COc2ccc(N)cc2)C1 2355679300 QFLXZWBATZTYOG-HTGLOVNISA-N 298.279 0.500 10 10 CCCE O=C(O)[C@H]1CSCCN1C(=O)c1cccc(O)c1O 126082479 JOCOMFIUCAIFJS-MRVPVSSYSA-N 283.305 0.740 10 10 CCCE NC(=O)NC[C@H]1CCCN(C(=O)Cc2ccc(N)cc2)C1 37820877 VEFUHEJYKGTPOI-GFCCVEGCSA-N 290.367 0.718 10 10 CCCE NC(=O)[C@H]1CCCCN1c1cc2c(cc1N)OCC(=O)N2 42406120 STHCPXJIFZHBIF-SNVBAGLBSA-N 290.323 0.444 10 10 CCCE C[C@@H]1CN(c2ccc(CN)c(F)c2)C[C@@H](CO)O1 229945687 KPOCNNQXKPCKFM-SKDRFNHKSA-N 254.305 0.870 10 10 CCCE C[C@H](C(=O)O)N1CCN(Cc2ccccc2O)CC1 86753605 LBHKPWSMKJVCQU-LLVKDONJSA-N 264.325 0.983 10 10 CCCE O=C(N[C@H]1CCC[C@@H]1O)c1c(F)ccc(O)c1O 295148590 BSAATBNITKWZCF-YUMQZZPRSA-N 255.245 0.880 10 10 CCCE NS(=O)(=O)C1(CNCc2ccc3c(c2)CCO3)CCC1 721542870 BWLPJRQXFLGRFJ-UHFFFAOYSA-N 296.392 0.922 10 10 CCCE CNC(=O)[C@@H]1COCCN1c1ccc([C@H](C)N)c(O)c1 723183653 UEUJADYZXMJKFX-CABZTGNLSA-N 279.340 0.363 10 10 CCCE CC[C@H](N)c1ccc(N2CCOC[C@@H]2C(N)=O)cc1 723194990 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LOFUZZWAUPRNMA-IUCAKERBSA-N 287.345 0.658 10 10 CCCE Cc1cc(N)ccc1N1C(=O)[C@@H]2CC[C@H](C1=O)N2C 704606878 KHEYUTXCSVOQBS-TXEJJXNPSA-N 259.309 0.913 10 10 CCCE CN1CCN(C(=O)CCc2ccc(N)cc2)C[C@@H]1CO 687611701 PXDYJNZQGCFJQO-CQSZACIVSA-N 277.368 0.336 10 10 CCCE CN(C)CCN1CCN(CCc2ccc(N)cc2)CC1 61642295 UGRJKVCWSMLQCH-UHFFFAOYSA-N 276.428 0.991 10 10 CCCE Cn1nnnc1CCNCc1ccc(F)c(F)c1O 2119300244 YMUBQZVFQFLMRU-UHFFFAOYSA-N 269.255 0.526 10 10 CCCE CNC[C@@H]1C(=O)N[C@H](C)CN1c1ccc(OC)cc1 216992643 KGFXYYLBIJIVEU-ZWNOBZJWSA-N 263.341 0.608 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NC1CCS(=O)(=O)CC1 1544051379 HLARFLNMXLZKMI-UHFFFAOYSA-N 299.348 0.334 10 10 CCCE C[P@]1(=O)C[C@@H](O)[C@@H](NC(=O)c2cccc(O)c2O)C1 2121334546 SZBYPKCGARMOMF-STMWZDKPSA-N 285.236 0.564 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN1CC(=O)NCCCC(=O)O 2123014972 IWGAJWXZEKIGDP-SECBINFHSA-N 269.305 0.742 10 10 CCCE O=C(CCn1ccnn1)NCc1cc(O)ccc1O 1593873288 NPWRATSFAPQMAR-UHFFFAOYSA-N 262.269 0.396 10 10 CCCE COc1c([C@@H](NCCCN=[N+]=[N-])C(N)=O)cnn1C 1912157453 SUZYOAGJQDSDQK-MRVPVSSYSA-N 267.293 0.245 10 10 CCCE CN(C)c1nc(CN2CC[C@@H](CN=[N+]=[N-])C2)nc(=N)[nH]1 1912181601 PVSWDDUMULSLHW-QMMMGPOBSA-N 277.336 0.482 10 10 CCCE Cn1nccc1S(=O)(=O)N1CC[C@@H](N=[N+]=[N-])C1 1912144858 XVXIATNIQHHWGN-SSDOTTSWSA-N 256.291 0.493 10 10 CCCE CCN1C[C@H](C(=O)N2CC[C@H](N=[N+]=[N-])C2)CC1=O 1912171501 LMQHGVCRXYPRMZ-BDAKNGLRSA-N 251.290 0.766 10 10 CCCE CN1CCN(c2ccc3c(c2)CC[C@H]3N)C[C@@H]1CO 2128295889 PEYLAHDIZALSBK-UKRRQHHQSA-N 261.369 0.745 10 10 CCCE C[C@@H](O)[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CCO1 1556995428 FZWHVOYUHKWLDG-RNCFNFMXSA-N 281.308 0.249 10 10 CCCE CC(C)N(CCN)C(=O)Cc1ccc(O)c(O)c1 1913139088 ZGVWLLVCBGJXCA-UHFFFAOYSA-N 252.314 0.836 10 10 CCCE O=C(c1cccc(O)c1O)N1CC[C@H](O)C[C@@H]1CO 2136056985 DOKZHEZLYNINRC-BDAKNGLRSA-N 267.281 0.056 10 10 CCCE CN(C)C[C@](C)(O)CNCc1ccc(O)c(O)c1O 226761267 RSRNNCWSULDOEH-CYBMUJFWSA-N 270.329 0.206 10 10 CCCE CCN[C@@H]1C(=O)Nc2cc(N3CC[C@@H](O)C3)ccc21 227054672 DESNBACVDGGZMA-MFKMUULPSA-N 261.325 0.860 10 10 CCCE NCc1cc(F)c(N2C[C@@H]3[C@H](C(N)=O)[C@@H]3C2)c(F)c1 2136616341 ZUXHPBVLTJNPSI-AKZRSSKFSA-N 267.279 0.591 10 10 CCCE C[C@@H]1OCC[C@@]1(O)CNCc1ccc(O)c(O)c1O 227121402 XSNPMUGDILAEMT-ISVAXAHUSA-N 269.297 0.433 10 10 CCCE Cc1cn[nH]c1NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 228352115 QTQNIMIKNIOULM-VIFPVBQESA-N 276.296 0.638 10 10 CCCE C[C@@H]1CN(C(=O)CCc2ccc(N)cc2)CC(=O)N1C 1926026513 KAAXETQKSHGXEC-LLVKDONJSA-N 275.352 0.891 10 10 CCCE C[C@@H](c1ccc(O)cc1O)N1CCNC[C@H]1C(=O)O 251603820 ZRTBBFVRVAGQEL-KWQFWETISA-N 266.297 0.517 10 10 CCCE O=C1NC[C@H]2CC[C@H]1N2C(=O)Cc1ccc(O)c(O)c1 1970182740 FLNXLXBGPVPBBQ-NXEZZACHSA-N 276.292 0.130 10 10 CCCE CN(C)c1ccc(C=CC(=O)NC[C@@H](N)C(=O)O)cc1 2143522373 DNDYLVRUBMWBFQ-GFCCVEGCSA-N 277.324 0.294 10 10 CCCE COC[C@H](O)CN(C)C(=O)COc1ccc(N)cc1 42482496 FJVOBYMRASHBNV-LLVKDONJSA-N 268.313 0.113 10 10 CCCE COCCNC(=O)CN(C)CCOc1ccc(N)cc1 42427269 XTUMFMOJSRPMES-UHFFFAOYSA-N 281.356 0.342 10 10 CCCE CCOCCCOC(=O)[C@H](N)Cc1ccc(O)c(O)c1 2149056748 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O=S1(=O)C[C@H]2NCCN(c3ccc4c(c3)CCC4)[C@H]2C1 2162669589 WULDIYPKGNTVMD-CABCVRRESA-N 292.404 0.751 10 10 CCCE Nc1ccc(CCN2C[C@@H](CO)[C@@H](CO)C2)cc1 704699502 QBJRIQMUTOSLQI-BETUJISGSA-N 250.342 0.344 10 10 CCCE OC[C@H]1C[C@@H](O)CN1c1ccc(CNC2CC2)cc1 704725898 CLOMRWTXDXUHRM-HUUCEWRRSA-N 262.353 0.871 10 10 CCCE CCNCc1ccc(N2C[C@@H](CO)[C@@H](CO)C2)cc1 704816878 UYWABTFAMAQMNR-OKILXGFUSA-N 264.369 0.833 10 10 CCCE C[C@@H](NC[C@@]1(O)CCN(C)C1)c1ccc(O)cc1O 705669601 RSSZSAIMBISAKJ-YGRLFVJLSA-N 266.341 0.815 10 10 CCCE NC(=O)NC1CN(c2cc3c(cc2Cl)[C@@H](N)C(=O)N3)C1 2163218297 XMYBKZWEMKZCLN-SNVBAGLBSA-N 295.730 0.149 10 10 CCCE Nc1ccc(OCCC(=O)N[C@H]2COCC[C@@H]2O)cc1 710869688 INOVLMZPJXDHAW-STQMWFEESA-N 280.324 0.304 10 10 CCCE Nc1ccc(CCC(=O)N2CC[C@H](O)[C@H](CO)C2)cc1 396854033 MMSYZTHCLPZYJM-JSGCOSHPSA-N 278.352 0.403 10 10 CCCE O=C(O)[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@@H]1F 2177160520 UPTCUJJITZZWOP-BDAKNGLRSA-N 283.255 0.521 10 10 CCCE CN(C(=O)CN1C[C@@H]2COCC[C@H]21)c1ccc(N)cc1 2193280048 UMZLJKQLKYPVNT-BXUZGUMPSA-N 275.352 0.952 10 10 CCCE CNCc1ccc(N2C[C@H]3COC[C@@H](C2)[C@H]3O)c(F)c1 2189066999 MAZGIMHBVKXBPN-JJLQDPRZSA-N 280.343 0.989 10 10 CCCE Cc1cccc(O)c1CN1CC[C@](O)(C(=O)O)[C@H](O)C1 2197467587 XTZXISAEOVORIN-TZMCWYRMSA-N 281.308 0.083 10 10 CCCE CN1C(=O)[C@H](O)c2ccc(N3CC4(C=CCO4)C3)cc21 2183724740 LJGIROFZMYURPC-CYBMUJFWSA-N 272.304 0.842 10 10 CCCE CC(=O)c1ccc(O)c(CN2CC[C@@](C)(O)[C@@H](O)C2)c1 2197966715 NSAKZQMUYHRPOB-LSDHHAIUSA-N 279.336 0.912 10 10 CCCE O=C1NC[C@]2(CCN(c3ccc4c(c3)CC[C@H]4O)C2)N1 2184732550 AJCGIKZXVKWSMQ-HIFRSBDPSA-N 273.336 0.928 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)[C@@H]2C[C@]23CCCNC3)C1 2049785136 WNCNYPNDNYCFAD-RMIALFOJSA-N 250.342 0.642 10 10 CCCE CN(CCCN=[N+]=[N-])C(=O)[C@@H]1[C@@H]2CS(=O)(=O)C[C@@H]21 2054202551 XKUYXJVVFLHCHD-AYMMMOKOSA-N 272.330 0.436 10 10 CCCE Nc1ccc(-n2ccc(C(=O)N[C@H]3CC[C@@H]3N)n2)cc1 2191756472 STOXMZRSGXXFNM-RYUDHWBXSA-N 271.324 0.674 10 10 CCCE CNCc1ccc(N2CC[C@H](O)[C@H](O)C2)c(C)c1 2068376562 JDWXCOLNNNSKJL-UONOGXRCSA-N 250.342 0.646 10 10 CCCE COc1ccc(N(C)C[C@@H]2COCCN2)c(N)c1 2071849207 DRTJILDOUORKJL-SNVBAGLBSA-N 251.330 0.702 10 10 CCCE OC[C@]1(CNCc2cccc(O)c2O)CCCO1 2073627302 MRKSWRMVSIYHLI-CYBMUJFWSA-N 253.298 0.729 10 10 CCCE OC[C@]1(CNCc2ccc(O)c(O)c2)CCCO1 2073626671 HKOKRBMOYXYYKD-CYBMUJFWSA-N 253.298 0.729 10 10 CCCE Cc1cccc(CNC(=O)[C@H](C)NC(N)=O)c1O 2084057666 WXUPKYQWHAXAIK-QMMMGPOBSA-N 251.286 0.374 10 10 CCCE C[C@@H](O)c1ccc(N2CC[C@@H]2C(N)=O)c([N+](=O)[O-])c1 2089368347 GLEPJABUPXLZQR-GMSGAONNSA-N 265.269 0.712 10 10 CCCE NC(=O)[C@H]1CC[C@@H](NCc2ccc(O)c(O)c2O)C1 2090010249 MEXAXJCNZVEEGG-IONNQARKSA-N 266.297 0.547 10 10 CCCE Nc1ccc(O)c(CN2C[C@@]3(CO)C[C@]3(CO)C2)c1 2090114592 WMNDJYJFMPLJJT-ZIAGYGMSSA-N 264.325 0.151 10 10 CCCE Cc1cc(CO)ccc1N1C[C@@H](CCO)[C@@H](CO)C1 2093500946 GTNZECGTASGYJG-ZIAGYGMSSA-N 265.353 0.914 10 10 CCCE CCn1nccc1Cn1ccc2c(c1=O)CNCC2 2094407287 OSRKRFHGCALNJO-UHFFFAOYSA-N 258.325 0.759 10 10 CCCE Oc1cccc(CNC2CN([C@H]3CCOC3)C2)c1O 2113049421 IUCIAFRBSVBPFP-LBPRGKRZSA-N 264.325 0.661 10 10 CCCE C[C@H](O)c1ccc(N2CCN(CCO)C(=O)C2)cc1 2114625992 DQQPEOIFYGJXDC-NSHDSACASA-N 264.325 0.381 10 10 CCCE COc1cc(N2CCC[C@H]3C(=O)NC[C@@H]32)ccc1CN 2204550364 RBGKNVFBKUTVDI-OLZOCXBDSA-N 275.352 0.869 10 10 CCCE CO[C@H]1[C@@H](C(=O)O)N(Cc2ccccc2O)C[C@H]1OC 2205459164 GIDWQDIDIWDLBW-FRRDWIJNSA-N 281.308 0.691 10 10 CCCE O=C(N[C@@H]1CNC[C@@H](F)C1)c1ccc(O)c(O)c1 2219138804 OIVCQPPBZHXYDX-IUCAKERBSA-N 254.261 0.528 10 10 CCCE COc1ccc(N2C[C@@H]3C[C@H](C2)[C@H](O)[C@@H]3O)c(CN)c1 2235975346 SICAQJRJQKIRJA-AGCIHXOGSA-N 278.352 0.332 10 10 CCCE CC[C@@H]1[C@H](O)CCN1c1ccc2c(c1)NC(=O)[C@@H]2N 2273217439 XNBYEFGKWHKPCU-JHJVBQTASA-N 261.325 0.988 10 10 CCCE OC[C@@H]1CC[C@H](CNCc2cccc(O)c2O)OC1 2264702859 GSPFWARNBNMWCT-CMPLNLGQSA-N 267.325 0.975 10 10 CCCE O=C(N[C@@H]1C[C@]12C[C@H]2C(=O)O)c1cc(O)c(O)c(O)c1 2283280008 LKQBDJUVNXGFJK-APIRENEASA-N 279.248 0.396 10 10 CCCE COCCNCc1ccc(N2CC[C@H]2[C@H](O)CO)cc1 2286221400 BNOMWIVPKWTVHB-LSDHHAIUSA-N 280.368 0.355 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@H]2COC3(COC3)C2)cc1 2286282474 VMWRBVMXKIICKK-LBPRGKRZSA-N 298.364 0.246 10 10 CCCE CN(CC1(O)CCNCC1)C(=O)c1cccc(O)c1O 2286348965 MITVAQBUWVCWQK-UHFFFAOYSA-N 280.324 0.284 10 10 CCCE COc1ccc(O)c(CN2CC[C@H]3C(=O)NC[C@@H]3C2)c1 368214344 FGPRDCKKVDWDPQ-DGCLKSJQSA-N 276.336 0.969 10 10 CCCE CCS(=O)(=O)N(C)NCc1ccc(O)c(O)c1 2301550216 QVVCJZNXWSXXQN-UHFFFAOYSA-N 260.315 0.384 10 10 CCCE OCc1ccc(N2C[C@@H]3C[C@H]2[C@@H](O)[C@@H]3O)cc1Cl 2308769259 MOPHFSRXCVHZBZ-HWNAMQAFSA-N 269.728 0.763 10 10 CCCE CO[C@@H]1[C@@H](O)C[C@H]1N[C@@H](C)c1ccc(O)cc1O 2313159893 HUDYCVPQCJQBBC-SLTJONPZSA-N 253.298 0.897 10 10 CCCE CN(c1ccc(CN)c(C2CC2)c1)C(CO)CO 2317070895 PEMVPZKUVQBVKD-UHFFFAOYSA-N 250.342 0.812 10 10 CCCE COc1ccc(N2C[C@H]3CS(=O)(=O)[C@H]3C2)c(CO)c1 2336464825 HDACNZROJBDRDH-GWCFXTLKSA-N 283.349 0.421 10 10 CCCE CCN(CCN=[N+]=[N-])S(=O)(=O)[C@@H](C(=O)OC)C1CC1 2337779508 MSQPANTZQSDMBX-SECBINFHSA-N 290.345 0.900 10 10 CCCE N[C@@H]1CC[C@@H]1S(=O)(=O)Nc1ccc(O)cc1[N+](=O)[O-] 2338262463 OOJKHTWESAHKPV-XCBNKYQSSA-N 287.297 0.532 10 10 CCCE CN[C@@H](C)c1ccc(N2CC[C@@](C)(O)[C@@H](O)C2)cc1O 2357528276 ZJBADNAKNKDCPC-NZVBXONLSA-N 280.368 0.995 10 10 CCCE C[C@H](N)c1ccc(N2CC[C@@H]3C[C@H]2[C@H](O)[C@@H]3O)cc1O 2357592165 FRTHPNQLSYCCPG-YBYFASJGSA-N 278.352 0.732 10 10 CCCE C[C@H](NC(=O)c1cccc(O)c1O)C(=O)N1CCOCC1 126534596 YLRUXYHMBWJNIO-VIFPVBQESA-N 294.307 0.075 10 10 CCCE Cn1ncc2c(=O)n(CCOc3ccc(N)cc3)cnc21 71194940 BLWTYWVKLYPVJT-UHFFFAOYSA-N 285.307 0.791 10 10 CCCE CCCCN(CC(N)=O)C[C@@H](O)COc1ccc(N)cc1 42690778 RLVWQHOIYRKNIF-CYBMUJFWSA-N 295.383 0.596 10 10 CCCE C[C@@H](c1ccccc1O)N(C)C(=O)c1cn(CCN)nn1 89699810 NPCSXOZNUBBDNK-JTQLQIEISA-N 289.339 0.776 10 10 CCCE COC[C@@H](O)CN(C)C(=O)Nc1ccc(N)cc1 42526541 DVOKSOMTNAVRCB-NSHDSACASA-N 253.302 0.740 10 10 CCCE CCS(=O)(=O)CCNCc1ccc(O)c(O)c1O 226753617 AMKCQIDKIUPQNO-UHFFFAOYSA-N 275.326 0.328 10 10 CCCE Nc1ccc(CS(=O)(=O)NCCCCO)cc1 236351524 SCUOVBARAQSIKT-UHFFFAOYSA-N 258.343 0.461 10 10 CCCE CCN(C(=O)c1ccc(O)c(O)c1)[C@@H]1CCNC1 233484829 DEXDNYHJBRXHSI-SNVBAGLBSA-N 250.298 0.922 10 10 CCCE CC(C)N1CC[C@@](NCCCN=[N+]=[N-])(C(N)=O)C1 90260244 OGLLGPKQUGAWIA-NSHDSACASA-N 254.338 0.615 10 10 CCCE Nc1ccc(NC(=O)N[C@@H]2C[C@H]3C[C@H]2[C@H](O)[C@@H]3O)cc1 2166389489 HKVQQSYGXUIMCY-ATZJWGMQSA-N 277.324 0.521 10 10 CCCE C[C@@H]1C[C@@H]1N(CCO)CC(=O)N(C)c1ccc(N)cc1 2167107092 QRAKUCFCXUULHU-RISCZKNCSA-N 277.368 0.934 10 10 CCCE CN1CCc2cc([C@H](O)[C@@]34CNC[C@@H]3COC4)ccc21 2163077387 VCHHTIIRRRSTHR-VNQPRFMTSA-N 274.364 0.948 10 10 CCCE CCOC(=O)C1(C(=O)OCC(=O)C(C)=O)CCCC1 830885149 AAACWYFDQVPMHL-UHFFFAOYSA-N 270.281 0.811 10 10 CCCE CN1C[C@@H](O)C[C@]1(C)C(=O)N1Cc2cccc(O)c2C1 913726879 YTPDSDULWHXXFI-XHDPSFHLSA-N 276.336 0.690 10 10 CCCE CN(C)S(=O)(=O)CC(=O)NCc1c(O)cccc1F 928707141 AWMFFGWMGINDFX-UHFFFAOYSA-N 290.316 0.039 10 10 CCCE C[C@H](NC(=O)CN1CCNCC1)c1ccccc1O 877257430 PYFPYYBHJOHEER-NSHDSACASA-N 263.341 0.475 10 10 CCCE NCCO[C@H]1CCN(C(=O)Nc2ccc(N)cc2)C1 1876165299 MCTLQOCVZFAMPH-LBPRGKRZSA-N 264.329 0.850 10 10 CCCE NCc1ccc2c(c1)CCN2C[C@H]1CCS(=O)(=O)C1 2133386146 CHRLMZWPERDZGU-GFCCVEGCSA-N 280.393 0.943 10 10 CCCE CC(=O)N[C@@H]1CCN(S(=O)(=O)Cc2ccc(N)cc2)C1 133440970 KBKKNBFHAHAUEV-CYBMUJFWSA-N 297.380 0.309 10 10 CCCE CS(=O)(=O)N1CCN(CCCc2ccc(N)cc2)CC1 19680526 NWGRETLPKKLDOU-UHFFFAOYSA-N 297.424 0.779 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN1C(=O)Cn1nc(O)ccc1=O 701264412 UTFMUYJYMIVCPK-MRVPVSSYSA-N 278.272 0.250 10 10 CCCE O=C1CCC([C@@H]2NCCc3cc(O)c(O)cc32)=NN1 83724921 KFVCSQIKERIOKG-CYBMUJFWSA-N 261.281 0.551 10 10 CCCE COc1ccc2c(c1O)[C@H]([C@H](O)CC(=O)O)NCC2 83708352 VLJPABRBULDDKN-PELKAZGASA-N 267.281 0.423 10 10 CCCE COc1ccc(N2CCNC(=O)[C@H](C)C2)cc1C(=O)O 84677279 PIKOVVXYVSTPKN-SECBINFHSA-N 278.308 0.966 10 10 CCCE CNC(=O)CCCNC(=O)CCc1ccc(N)cc1 398283314 ADCCVCZBBHRBTG-UHFFFAOYSA-N 263.341 0.844 10 10 CCCE CNC(=O)NCCCNCc1c(O)cccc1OC 1964611606 IPSVBZLNSQPVLZ-UHFFFAOYSA-N 267.329 0.810 10 10 CCCE C[C@@H]1COC[C@H]1N(C)C[C@H](O)COc1ccc(N)cc1 688190903 VBJPUPUFVNCEPN-OSAQELSMSA-N 280.368 0.975 10 10 CCCE Nc1cc2c(cc1N1CCS[C@H](CO)C1)NC(=O)CO2 720008260 SMNVHTDFMXWDGC-QMMMGPOBSA-N 295.364 0.514 10 10 CCCE Nc1ncc(S(=O)(=O)NCc2ccccc2O)cn1 722218343 BDPMHXOBSMBPLL-UHFFFAOYSA-N 280.309 0.243 10 10 CCCE C[C@]1(CO)C[C@@H](O)CN1Cc1cc(N)ccc1O 698136774 HEUSNMIKRKHRIM-DGCLKSJQSA-N 252.314 0.292 10 10 CCCE O=C(COC[C@@H]1CCCO1)NCc1cccc(O)c1O 1347542762 QZRMPBJSUFSZCI-NSHDSACASA-N 281.308 0.910 10 10 CCCE O=C(NCc1cc(O)ccc1O)[C@@H]1CCCS1(=O)=O 1455349877 AIBQUYANAQSYKZ-NSHDSACASA-N 285.321 0.291 10 10 CCCE CC(C)(C)C(=O)NCC(=O)NCc1c(O)cccc1O 1558533632 FXCYQWIRYGZKNT-UHFFFAOYSA-N 280.324 0.876 10 10 CCCE Nc1ccc(OC[C@H](O)CN2CCOCC23CC3)cc1 1915583404 IUCCIAPTPRPEMP-CYBMUJFWSA-N 278.352 0.873 10 10 CCCE C[C@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)N1CCCC1 1634078587 WBJYJZHWSYQGFA-JTQLQIEISA-N 292.335 0.767 10 10 CCCE COc1ccc(N2CCN[C@H](C(=O)O)C2)c(OC)c1 217171684 GZYREICGCRJYAJ-JTQLQIEISA-N 266.297 0.567 10 10 CCCE COc1ccc(N2C[C@@H](O)CNC[C@H]2C)c(OC)c1 217180367 BSUABVONQRKNIU-MNOVXSKESA-N 266.341 0.863 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CC(F)(F)C[C@@H]1CO 1634175803 GRDSOFDVCMKDFD-SECBINFHSA-N 287.262 0.869 10 10 CCCE CC(F)(F)[C@@H](NC(=O)c1cc(O)nc(O)c1)C(=O)O 2128401036 RIMPYRWZUJQJOP-ZETCQYMHSA-N 276.195 0.331 10 10 CCCE CN(C[C@H]1CCN1C)c1ccc2c(c1)NC(=O)[C@H]2O 2129905824 RXRTWKDNLPLWOR-MFKMUULPSA-N 261.325 0.812 10 10 CCCE CN(C)C(=O)CCN(C)C(=O)c1ccc(O)c(O)c1 2131949839 KVGVJDWLWIGGGK-UHFFFAOYSA-N 266.297 0.648 10 10 CCCE C[C@H](O)c1ccc(N2CC(CNC(N)=O)C2)c(F)c1 2130741635 DQAYFZHRXFQDKB-QMMMGPOBSA-N 267.304 0.984 10 10 CCCE C[C@](CN)(NC(=O)c1cc(O)c(O)c(O)c1)C1CC1 2132399642 HDOFWHSLSNLGMA-CYBMUJFWSA-N 266.297 0.661 10 10 CCCE CNCc1ccc(N2C[C@H]3COC[C@@H](C2)[C@@H]3O)cc1 2132545408 VIHJMNQCZRKNPP-NHAGDIPZSA-N 262.353 0.850 10 10 CCCE C[C@@H]1[C@H](O)CCN1CC(=O)N(C)c1ccc(N)cc1 1914438390 WVTXUAHZOFYGDO-ZWNOBZJWSA-N 263.341 0.687 10 10 CCCE OCC(O)(CO)CNCc1c(O)ccc2ccccc12 1913790616 WYDDNLJOHUFCAG-UHFFFAOYSA-N 277.320 0.351 10 10 CCCE COCC[S@](C)(=O)=NCC(=O)Nc1ccc(N)cc1 1918085908 WILMOOXSJWCLJM-IBGZPJMESA-N 285.369 0.952 10 10 CCCE CN1CCN(C(=O)c2ccc(O)c(O)c2)C(C)(C)C1=O 227039213 SMIBVLBCAJJTPI-UHFFFAOYSA-N 278.308 0.791 10 10 CCCE COc1cccc(CNC[C@@H]2CCS(=O)(=O)N2)c1O 1967794254 GWDUPNJAHNQDRS-JTQLQIEISA-N 286.353 0.182 10 10 CCCE Nc1ccc(NC(=O)CN(CCO)CC(F)F)cc1 231310952 NOFODFIXFMJBMM-UHFFFAOYSA-N 273.283 0.767 10 10 CCCE CNC(=O)CCN(C)CC(=O)N(C)c1ccc(N)cc1 234346519 QFSRMXAIPYWGBN-UHFFFAOYSA-N 278.356 0.300 10 10 CCCE Cc1cccc(CN[C@H]2COC[C@H]2S(C)(=O)=O)c1O 2142489771 GFMGSNSJAOUGCE-NWDGAFQWSA-N 285.365 0.602 10 10 CCCE CN1CCN[C@H](c2ccc(N3CCOCC3)cc2)C1=O 1951909842 VEUPREKTQXFVIG-CQSZACIVSA-N 275.352 0.626 10 10 CCCE NC1(CNC(=O)Cc2ccc(O)c(O)c2)CCC1 1971219409 XNOGXXDBNFYGAF-UHFFFAOYSA-N 250.298 0.638 10 10 CCCE CN(C(=O)Cc1ccc(O)c(O)c1)C1(CN)CCC1 1972659287 WDHKEASHXGGNAR-UHFFFAOYSA-N 264.325 0.980 10 10 CCCE CN1CCc2cc([C@@H](O)[C@@H](N)c3cn(C)nn3)ccc21 2147857960 KBQXOJRJWUUGIF-UONOGXRCSA-N 273.340 0.541 10 10 CCCE N=c1nc(NN)cc(NCCc2ccc(O)c(O)c2)[nH]1 2148018036 ARYKEAXEVTYKML-UHFFFAOYSA-N 276.300 0.241 10 10 CCCE Nc1ccc(CCC(=O)N[C@H](CC(=O)O)C(=O)O)cc1 158190750 CZNILTGCSIKZKB-SNVBAGLBSA-N 280.280 0.246 10 10 CCCE Nc1ccc(CCC(=O)N2CCO[C@@H](CO)C2)cc1 167702913 PDIRKJOGGCIWPW-CYBMUJFWSA-N 264.325 0.421 10 10 CCCE Cc1cc(N2CC[C@H]3C(=O)NC(=O)[C@H]3C2)ccc1CN 2158786252 VMCUPCBTDUAOBV-OLZOCXBDSA-N 273.336 0.553 10 10 CCCE C[C@@]1(O)CCC[C@H]1N(CC(N)=O)Cc1ccc(N)cc1 2155617832 YCKKQAOHGXRXBU-UKRRQHHQSA-N 277.368 0.860 10 10 CCCE N[C@H]1COCC[C@H]1c1nc(-c2ccc(O)c(O)c2)no1 2159044140 QKMWLDZORANRFH-BDAKNGLRSA-N 277.280 0.979 10 10 CCCE CONCCCNC(=O)Cc1ccc(O)c(O)c1 2027482832 QCGHZZOZAXCYFS-UHFFFAOYSA-N 254.286 0.298 10 10 CCCE Cn1cc(S(=O)(=O)Nc2ccc(O)c(F)c2)nn1 2027813852 ZUVPLBRVEHECSV-UHFFFAOYSA-N 272.261 0.461 10 10 CCCE Cn1cnc(NS(=O)(=O)Cc2ccc(N)cc2)c1 2028680323 JBWZLGJMUQSHDU-UHFFFAOYSA-N 266.326 0.944 10 10 CCCE COc1ccc(CN2CC[C@@H]3C(=O)NC[C@H]3C2)c(O)c1 2157180074 QSHVFOCSFYCGNS-AAEUAGOBSA-N 276.336 0.969 10 10 CCCE CC1(C)CN(C(=O)c2cc(O)nc(O)c2)[C@H]1CO 2031674699 CTQKHRPQONFWDS-QMMMGPOBSA-N 252.270 0.336 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCONC1 2037783973 WWVRNSVPNXDPPI-SECBINFHSA-N 252.270 0.050 10 10 CCCE COC[C@@](O)(CO)CNCc1cccc(C)c1O 2040780942 IQWIBXUZHQRACS-ZDUSSCGKSA-N 255.314 0.160 10 10 CCCE CN1CC(=O)N(CC(=O)N2CCC[C@@H](N=[N+]=[N-])C2)C1=O 706100027 YXLRGIMFHGPXSG-MRVPVSSYSA-N 280.288 0.182 10 10 CCCE Nc1ccc(CCC(=O)N2C[C@H](CO)[C@@H](CO)C2)cc1 707506829 OUBNLWKQSIFODX-CHWSQXEVSA-N 278.352 0.261 10 10 CCCE CN(Cc1ccccc1O)S(=O)(=O)[C@@H]1CCNC1 687264220 KUAXOZUEJZKKOW-LLVKDONJSA-N 270.354 0.516 10 10 CCCE CN1CCN(CCOc2ccc(N)cc2)C[C@H]1CO 687611454 TVCVOJBSZFFSDA-ZDUSSCGKSA-N 265.357 0.256 10 10 CCCE CN1CC[C@@H](N(C)c2ccc3c(c2)NC(=O)[C@H]3O)C1=O 690157088 WBLBHUSTXUZANN-NEPJUHHUSA-N 275.308 0.339 10 10 CCCE CNC(=O)CC1CN(C(=O)c2cccc(O)c2O)C1 382176038 AAHXXSRWFBCWFZ-UHFFFAOYSA-N 264.281 0.306 10 10 CCCE C[C@H]1[C@@H](NCc2ccc(O)c(O)c2O)CCN1C 719569294 IEHFFZZUINQQAR-WPRPVWTQSA-N 252.314 0.986 10 10 CCCE CCOC(=O)[C@@]1(NCCN=[N+]=[N-])CCS(=O)(=O)[C@H]1C 389167223 HQWRAUULEJCAMW-WCBMZHEXSA-N 290.345 0.395 10 10 CCCE CNC(=O)CCCNCc1ccc(O)c(O)c1O 398416557 SPMUCVGNJOWUHR-UHFFFAOYSA-N 254.286 0.419 10 10 CCCE C[C@@]1(C(=O)N(CC(N)=O)Cc2ccc(N)cc2)C[C@@H]1F 399373551 WIAGXLQYVSPVKY-SMDDNHRTSA-N 279.315 0.831 10 10 CCCE O=C1NC[C@]2(CCN(Cc3ccc(F)c(F)c3O)C2)N1 2177681079 SXTCNPJMNJQYMP-ZDUSSCGKSA-N 283.278 0.928 10 10 CCCE CC1(C)[C@@H]2[C@H](CCN2C(=O)c2cc(O)nc(O)c2)[C@H]1O 2178150852 IOCDGFSBFPSAKG-KPXOXKRLSA-N 278.308 0.724 10 10 CCCE O=C(NCC1[C@@H]2CS(=O)(=O)C[C@@H]12)c1cccc(O)c1O 2174623412 FFNIPQAPHDPXAD-UWVGGRQHSA-N 297.332 0.118 10 10 CCCE CC(C)(O)[C@](C)(NC(=O)Cc1ccc(N)cc1)C(=O)O 2178353018 POIDNWRSHRUXQP-CQSZACIVSA-N 280.324 0.542 10 10 CCCE C[C@@H](C(=O)O)N1CC(N[C@H](C)c2cc(O)ccc2O)C1 2188305092 RHNOBBGMPRSCPO-BDAKNGLRSA-N 280.324 0.906 10 10 CCCE CN1C[C@@H](N(C)C(=O)COc2ccc(N)cc2)CC1=O 2188489026 ZIKVSEWSNDLNAB-NSHDSACASA-N 277.324 0.337 10 10 CCCE CO[C@@H]1CCOC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2188913140 PLJFVYWZMHHGAT-GZMMTYOYSA-N 283.280 0.337 10 10 CCCE NC(=O)C1(NC(=O)c2cccc(O)c2O)CCCC1 1444162514 CDHVYRLNDVNMHY-UHFFFAOYSA-N 264.281 0.626 10 10 CCCE Nc1ccc(CCCN2CC3(C2)OC[C@@H](O)[C@@H]3O)cc1 2183635172 XQIBRKDBCNAXKU-KGLIPLIRSA-N 278.352 0.008 10 10 CCCE C[C@@H](N)c1cnc(Sc2nc(=O)c(=O)[nH]n2C)s1 2041815769 AUZCGJOTWCMAJQ-SCSAIBSYSA-N 285.354 0.096 10 10 CCCE CCNC(=O)C1(NCc2ccc(O)cc2O)CC1 2041826365 WEIOTVVNJZDGOU-UHFFFAOYSA-N 250.298 0.856 10 10 CCCE N[C@H](C(=O)C(=O)C[C@H]1C[C@H](N)C1)[C@H]1C[C@@H]2C[C@@H]2C1 2052132892 WDDHDSPRCXXBTN-MJSFNVECSA-N 250.342 0.625 10 10 CCCE Nc1ccc(NC(=O)N2C[C@@H](N)C[C@]23CCOC3)cc1 2191517504 XMIVXDCKTOKGQJ-FZMZJTMJSA-N 276.340 0.993 10 10 CCCE Nc1cc2c(cc1N1C[C@H]3CNC[C@H]1C3)NC(=O)CO2 2191794699 BOWBBRZSLJUCGN-RKDXNWHRSA-N 274.324 0.398 10 10 CCCE CCC[C@H](NC(=O)[C@H]1CNc2ccccc2N1)C(N)=O 2186468908 MRUKRYHETHZXET-NWDGAFQWSA-N 276.340 0.663 10 10 CCCE NC[C@H](C[C@H]1CCOC1)NC(=O)c1cccc(O)c1O 2195499816 JOEHZQHGQWVDKV-ZJUUUORDSA-N 280.324 0.582 10 10 CCCE C[C@]1(NC(=O)c2cc(O)nc(O)c2)CCC[C@@H]1O 2062572415 AGJOXNCAGODUSR-UFBFGSQYSA-N 252.270 0.526 10 10 CCCE CN(Cc1ccccc1O)S(=O)(=O)N1CC[C@H](CN)C1 2192590529 WUZJTEOHYWZBAH-LLVKDONJSA-N 299.396 0.349 10 10 CCCE C[C@@H](O)[C@H]1CCN1C(=O)c1cc(O)c(O)c(O)c1 2068565657 DPTQZANSKTTWKN-HTRCEHHLSA-N 253.254 0.399 10 10 CCCE N[C@H]1CC(C(=O)N(CC(=O)O)c2ccccc2)=C[C@@H]1O 2188022112 OXLPBQIWTBOQQD-RYUDHWBXSA-N 276.292 0.123 10 10 CCCE C[C@H](N)c1ccc(N2CCC2(CO)CO)c(F)c1 2073919639 GKMSQVDJXJWIBL-VIFPVBQESA-N 254.305 0.779 10 10 CCCE Oc1cc(F)ccc1CN1C[C@@H](O)CC12CNC2 2084074243 UZZILBTYFUJSDB-NSHDSACASA-N 252.289 0.440 10 10 CCCE COc1cccc(O)c1CNC[C@H]1CN(C)CCO1 2104439721 SRHNZCBICOASLN-NSHDSACASA-N 266.341 0.821 10 10 CCCE CN1CCc2cc([C@H](O)[C@@H]3[C@H]4NCCO[C@H]34)ccc21 2106806340 WAKASBZZBHVUCI-LJISPDSOSA-N 260.337 0.699 10 10 CCCE C[S@](=O)(CC1CNC1)=NC(=O)c1cccc(O)c1O 2109489469 PLBLTXMWDNFDFW-IBGZPJMESA-N 284.337 0.555 10 10 CCCE C[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)[C@H](C)C[C@@H]1O 2093106962 BSUUGKIWPJCFFN-MRTMQBJTSA-N 266.297 0.724 10 10 CCCE N[C@]12CC[C@H]1CN(C(=O)Cc1ccc(O)c(O)c1)C2 2095422707 VBSDKBNSCXTCQH-HZMBPMFUSA-N 262.309 0.590 10 10 CCCE C[C@H](c1c(O)cccc1O)N1C[C@@H]2NC(=O)O[C@@H]2C1 2120408910 YUJYUDBAVLHCIE-VHSKPIJISA-N 264.281 0.951 10 10 CCCE Cc1cccc(CN=c2cc(C(N)=O)c(N)c[nH]2)c1O 2204611714 RXARONNQWKHGIA-UHFFFAOYSA-N 272.308 0.811 10 10 CCCE CC1(OC(=O)[C@@H](N)Cc2ccc(O)c(O)c2)COC1 2272891242 AODDAQPQNAUXHF-VIFPVBQESA-N 267.281 0.300 10 10 CCCE COc1ccc(N2C[C@@H]3C[C@H](C2)[C@H](O)[C@H]3O)c(CO)c1 2236003819 UTQLFMYWYFHGLC-OWLDWWDNSA-N 279.336 0.365 10 10 CCCE C[C@@]1(O)CN(c2ccc3c(c2)OCCO3)CC[C@H]1O 2226782035 UTOPRELTGATTKZ-ZIAGYGMSSA-N 265.309 0.780 10 10 CCCE NCc1ccc(N2C[C@H]3C[C@@H](O)[C@@H](O)C[C@H]3C2)cc1F 2236979449 MTBJKRCLJDZVNO-HGSJOUDDSA-N 280.343 0.852 10 10 CCCE OC[C@@H]1NC[C@@H]2CN(Cc3c(O)cccc3F)C[C@H]21 2227323169 XKJQXEXAGBEPDC-BREBYQMCSA-N 266.316 0.543 10 10 CCCE Nc1ccc(CCC(=O)NCC[C@]2(O)CCNC2)cc1 2238462284 BUSOSFRQUDQLMU-OAHLLOKOSA-N 277.368 0.432 10 10 CCCE C[C@H](NC(=O)CN[C@@H]1CCOC1)c1ccccc1O 2272592273 ZKVXVDUABKLZSF-WDEREUQCSA-N 264.325 0.948 10 10 CCCE COc1ccc(N2CC[C@H](O)[C@@H](O)CC2)c(CN)c1 2269137649 LCKMAQHHWYKZDF-KBPBESRZSA-N 266.341 0.476 10 10 CCCE Nc1ccc(CC(=O)N2CC[C@H](O)[C@H](O)CC2)cc1 2269150298 DXKLEMIIRXCLIN-BETUJISGSA-N 264.325 0.156 10 10 CCCE CNCc1ccc(N2CC[C@H](O)[C@H](O)CC2)cc1OC 2284551110 KJUGOMVQMIYEFW-OKILXGFUSA-N 280.368 0.737 10 10 CCCE O[C@H](c1ccc(N2CCNCC2)cc1)c1ccnnc1 2286065579 LHBHRYNZKBWYAF-OAHLLOKOSA-N 270.336 0.968 10 10 CCCE OC[C@@H]1CN(c2ccc3c(c2)CCCO3)C[C@H](O)[C@@H]1O 2289331177 OOEQTOFHEGMFAG-CORIIIEPSA-N 279.336 0.162 10 10 CCCE COC[C@H]1C[C@@H](CN)N(C(=O)Cc2ccc(N)cc2)C1 2289537356 HXBPASUXAUKCQX-JSGCOSHPSA-N 277.368 0.634 10 10 CCCE C[C@@H](N[C@@H]1CN(C)C[C@H]1O)c1ccc(O)cc1O 2308208952 KYTTXHVTNGGRIE-XTWCZFFVSA-N 252.314 0.423 10 10 CCCE Cc1c([C@H](C)N)ccc(N2CC(O)(CO)C2)c1C 2318392103 RNMBTJNWWRSVQL-NSHDSACASA-N 250.342 0.867 10 10 CCCE CN(Cc1ccccc1O)C(=O)CCNCCO 2319851625 LMGSOVVTVLOJOG-UHFFFAOYSA-N 252.314 0.323 10 10 CCCE [N-]=[N+]=NCCCNC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)O 2333613115 LVHLMIJDZOCHJA-KZVJFYERSA-N 268.273 0.681 10 10 CCCE C[C@H](CN(C)C)N(C)S(=O)(=O)Cc1ccc(N)cc1 2351742761 MAIAREVYCULLFH-LLVKDONJSA-N 285.413 0.981 10 10 CCCE COc1ccc(O)c(CNC(=O)N2CCOCC2)c1 114512439 ADDWHAKPQGYZON-UHFFFAOYSA-N 266.297 0.943 10 10 CCCE Oc1ccc(CNCC2(O)CCOCC2)c(O)c1 112836943 MAGVLRZGBYBDAN-UHFFFAOYSA-N 253.298 0.729 10 10 CCCE COCCNS(=O)(=O)N(C)c1ccc(N)cc1 128322873 QSHXWAVJLFHINZ-UHFFFAOYSA-N 259.331 0.186 10 10 CCCE COc1ccc(N2C[C@@H](CO)OC[C@H]2C)c(N)c1 213436320 ONPPIDPOUZJYAQ-KOLCDFICSA-N 252.314 0.863 10 10 CCCE COc1ccc(O)c([C@H](C)NCCNC(N)=O)c1 132433769 ZNSRUQGXHGOPMB-QMMMGPOBSA-N 253.302 0.720 10 10 CCCE C[C@@H](O)[C@@H](NC(=O)CCc1ccc(N)cc1)C(=O)O 134693278 DVXBIHGTUANNED-PRHODGIISA-N 266.297 0.152 10 10 CCCE COc1ccc(CN2CCN([C@@H](C)C(=O)O)CC2)c(O)c1 86753150 JSLRVZYAWYKLRC-NSHDSACASA-N 294.351 0.992 10 10 CCCE COc1ccc2c(c1)C(=O)N(C)CCN2CCCN 527430357 KWTUWISVRIDSGF-UHFFFAOYSA-N 263.341 0.936 10 10 CCCE CO[C@H](C)[C@H](CC(=O)O)NC(=O)Cc1ccc(N)cc1 2165784544 CNKKJLOQIDRLLQ-SKDRFNHKSA-N 280.324 0.806 10 10 CCCE CC[C@@H](O)CC(=O)OCC(=O)c1ccc(O)c(O)c1 837811939 WEFPSLVFKZEBDA-SECBINFHSA-N 268.265 0.985 10 10 CCCE COC[C@](C)(O)C(=O)NCc1c(O)cccc1F 928704566 CCWLUSXCJYXSLX-LBPRGKRZSA-N 257.261 0.545 10 10 CCCE O=C1C[C@H](C(=O)NCc2cc(Br)ccc2O)N1 854442103 HBQBXFNGNZNXFA-MRVPVSSYSA-N 299.124 0.659 10 10 CCCE Nc1ccc(CS(=O)(=O)NCc2cnccn2)cc1 698073145 SCYGPJVMHPVWSS-UHFFFAOYSA-N 278.337 0.678 10 10 CCCE COC(=O)C(=O)[C@@H](C)OC(=O)c1cc(O)cs1 778314473 HWVNPIRQLLPZEW-RXMQYKEDSA-N 258.251 0.741 10 10 CCCE CNCCCNC(=O)[C@H](N)c1cccc(C)c1O 83385197 BCOYDLKLRCEPGJ-LLVKDONJSA-N 251.330 0.426 10 10 CCCE CC(C)(C)c1cc(CN)c(O)c(S(N)(=O)=O)c1 39423969 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264.281 0.741 10 10 CCCE COC[C@@H](C(N)=O)N(C)C(=O)c1cc(O)cs1 854656192 HEAMAYHBHYXQLI-ZETCQYMHSA-N 258.299 0.026 10 10 CCCE C[C@@H]1CNC[C@H]1CNC(=O)COc1ccc(N)cc1 1876522650 DBZJNEOECGOVGJ-MNOVXSKESA-N 263.341 0.619 10 10 CCCE O=C1CC[C@@H]2[C@H]1[C@@H]2C(=O)NCc1cc(O)ccc1O 1153885915 SDLFTUSUEMXDOI-OASPWFOLSA-N 261.277 0.939 10 10 CCCE COC(=O)[C@H]1C(=O)N[C@H](c2ccc(N(C)C)cc2)C1=O 692048769 MDZAKORIDXTYAN-GHMZBOCLSA-N 276.292 0.282 10 10 CCCE O=C(NCc1ccc(O)nn1)NCc1ccccc1O 1312755207 ZVINJSCQTCOZSR-UHFFFAOYSA-N 274.280 0.887 10 10 CCCE [N-]=[N+]=NCCNC(=O)CS[C@H]1CCS(=O)(=O)C1 701315787 FULRMCCAPZZSLC-ZETCQYMHSA-N 278.359 0.333 10 10 CCCE CNCCCNC(=O)[C@H](N)c1ccc(N(C)C)cc1 83479791 DDFRYCYWCSMUTD-CYBMUJFWSA-N 264.373 0.478 10 10 CCCE C[C@@H](C(=O)Nc1ccc(N)cc1)S(=O)(=O)[C@@H]1CCOC1 703082465 MGAKDJRKEMHTHW-JOYOIKCWSA-N 298.364 0.800 10 10 CCCE CCn1nnc([C@@H](N)c2ccc3c(c2)CCN3C)n1 1892981739 PQXVMLZZYXCYND-LBPRGKRZSA-N 258.329 0.733 10 10 CCCE CN1CC[C@H](OC[C@H](O)COc2ccc(N)cc2)C1 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COc1cc(Cl)cc(CN2CCNC[C@H]2C(N)=O)c1O 229104073 JHBUCJWRPSCVTM-JTQLQIEISA-N 299.758 0.313 10 10 CCCE OC[C@H](C[C@H]1CCCO1)NCc1ccc(O)c(O)c1O 1926744097 RUCKQRRFADMQBF-WDEREUQCSA-N 283.324 0.823 10 10 CCCE Cc1cnn(CCNS(=O)(=O)Cc2ccc(N)cc2)c1 235949970 ATKHVGYPODOMRI-UHFFFAOYSA-N 294.380 0.893 10 10 CCCE CS(=O)(=O)C[C@H]1CN(CCc2ccc(N)cc2)CCO1 2143669876 LBVAPWNBWRDKHL-CQSZACIVSA-N 298.408 0.557 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CCCC2(CNC2)C1 1971346940 JJNQWFAYXCXPSI-UHFFFAOYSA-N 276.336 0.852 10 10 CCCE Cc1nnc(CCNC(=O)Cc2ccc(N)cc2)n1C 1972294044 CSCSETQKNURPDB-UHFFFAOYSA-N 273.340 0.607 10 10 CCCE CN1C(=O)[C@H](O)c2ccc(N3CC[C@H](O)[C@H](F)C3)cc21 2144566857 PXWNJAKFYQIJOE-KGYLQXTDSA-N 280.299 0.606 10 10 CCCE CN[C@H](c1nnnn1C)[C@H](O)c1ccc(N(C)C)cc1 2148179253 XSABRGZNYIQAMA-NWDGAFQWSA-N 276.344 0.270 10 10 CCCE Nc1ccc(CCC(=O)N(CC(=O)O)CC(=O)O)cc1 158153272 HWDSMZIGGUZQGU-UHFFFAOYSA-N 280.280 0.199 10 10 CCCE Cn1cnc(NC(=O)[C@@H](N)Cc2ccc(O)c(O)c2)c1 2145339678 FMMMIKFOPFEDJB-VIFPVBQESA-N 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O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2NCc1cccc(O)c1O 2054279168 XIFQAYXSVFFWSJ-JZYVYDRUSA-N 269.322 0.230 10 10 CCCE C[C@]1(CNS(=O)(=O)Cc2ccc(N)cc2)CNCCO1 2191698327 OYLMBNGODBZNEF-CYBMUJFWSA-N 299.396 0.067 10 10 CCCE C[S@](=O)(=NC(=O)COc1ccc(N)cc1)[C@H]1CCNC1 2191668158 RBMADPXGILKOGY-FKIZINRSSA-N 297.380 0.634 10 10 CCCE Nc1ccc(CCC(=O)N2CC[C@@H](CO)[C@H](N)C2)cc1 2191719350 KTEKFKMKXXMRII-GXTWGEPZSA-N 277.368 0.370 10 10 CCCE N=S1(=O)CC2(CN(c3cc4c(cc3N)OCCO4)C2)C1 2191791439 WNYRHSGIAFCBQG-UHFFFAOYSA-N 295.364 0.907 10 10 CCCE C[C@H]1CN(c2cc3c(cc2N)OCC(=O)N3)C[C@@H]1CN 2191888402 OVTKMUVVDYGCOD-IUCAKERBSA-N 276.340 0.631 10 10 CCCE C[C@]1(CO)CNCCN1c1ccc2c(c1)OCCO2 2106571418 FECBBITUHVYKFN-CQSZACIVSA-N 264.325 0.618 10 10 CCCE CN1C[C@@](NCCCN=[N+]=[N-])(C(=O)O)CCC1=O 2068226908 NICHHHXUSYCBHQ-SNVBAGLBSA-N 255.278 0.352 10 10 CCCE CN1CC[C@@H](NCc2ccc(O)c(O)c2)CC1=O 2068227879 AERINXFHHOCLSY-SNVBAGLBSA-N 250.298 0.808 10 10 CCCE C[C@@H](N)CCN(C)C(=O)c1cc(O)c(O)c(O)c1 2068624195 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CN1CCc2cc(CN[C@@H]3C[C@H](O)C[C@@H]3O)ccc21 2108797908 SYFRUYPEZYXPKE-GUTXKFCHSA-N 262.353 0.653 10 10 CCCE NC(=O)c1cnc(CNCc2cccc(O)c2O)s1 2112193109 WAGUSZNDURCXRI-UHFFFAOYSA-N 279.321 0.943 10 10 CCCE O=C(O)[C@@H]1C[C@H](F)CN1C(=O)c1ccc(O)c(O)c1 2095586763 OULJOEBCRBGSBX-YUMQZZPRSA-N 269.228 0.735 10 10 CCCE Oc1ccc(CNC[C@H]2C[C@@H](O)CCO2)c(O)c1O 2097941188 IBKHPDXMHYMSMK-VHSXEESVSA-N 269.297 0.433 10 10 CCCE Cc1ccc(O)c(CN[C@@H]2CCN(CC(=O)O)C2)c1 2113034253 ZQQLPUOKAYHJKI-GFCCVEGCSA-N 264.325 0.949 10 10 CCCE Cc1nc2n(n1)CCN(Cc1cc(N)ccc1O)C2 2114036287 JMSNPFVLQVQJCK-UHFFFAOYSA-N 259.313 0.890 10 10 CCCE COc1ccc(O)c(CNC2CN(C3COC3)C2)c1 2114714220 RFRCWSJRGLKWLE-UHFFFAOYSA-N 264.325 0.573 10 10 CCCE CN(CCCc1ccc(N)cc1)[C@@H]1CC(=O)NC1=O 2114734272 FENNZQGBDAJTEO-GFCCVEGCSA-N 261.325 0.548 10 10 CCCE CN[C@@H](C)c1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3C(N)=O)cc1O 2201283042 CPCVPSJGLOFLOG-HDRXNWCYSA-N 275.352 0.840 10 10 CCCE C[C@H](N)c1ccc(N2CC[C@H]([C@@](C)(O)CO)C2)cc1O 2202842195 CHJJMPVWFQVGGE-PGUXBMHVSA-N 280.368 0.982 10 10 CCCE CC1CC(NC(=O)Cc2ccc(N)cc2)(C(N)=O)C1 2231940381 DDVHUCBXGXHOMO-UHFFFAOYSA-N 261.325 0.582 10 10 CCCE CN1[C@H](C(=O)O)CC[C@H]1C(=O)N1CCC[C@H](N=[N+]=[N-])C1 2234170569 FCSZZJPPBHMIFD-GUBZILKMSA-N 281.316 0.835 10 10 CCCE COc1cc(N2CCO[C@@H]3C[C@@H](O)C[C@H]32)ccc1CN 2234437060 HAVNAHMQJHQDND-GZBFAFLISA-N 278.352 0.882 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N3C[C@@H](F)C[C@@H](O)C3)cc21 2234670256 GSLOVOWPAYFQNU-PLMOITTCSA-N 279.315 0.572 10 10 CCCE COc1ccc(N2CC[C@@](O)(CN(C)C)C2)c(CN)c1 2235956310 XRFRFVNNIJEMTF-OAHLLOKOSA-N 279.384 0.657 10 10 CCCE CN1CCc2cc([C@H](O)[C@]3(C(=O)O)C=CCN3)ccc21 2237168461 IQJPZJLGBURUFY-ZFWWWQNUSA-N 274.320 0.695 10 10 CCCE C[C@H](O)c1ccc(N2CC(O)(CCO)C2)cc1O 2258285042 BTANGQUBYGJMLT-VIFPVBQESA-N 253.298 0.379 10 10 CCCE Cc1cccc(CNC(=O)C2CN(C3CNC3)C2)c1O 2284243157 IJAGXOURENVHGP-UHFFFAOYSA-N 275.352 0.220 10 10 CCCE O=C(O)[C@H]1CCN(C(=O)c2ccc(O)c(O)c2)C[C@@H]1O 2295624168 FXUGCXZFCXZXSV-KWQFWETISA-N 281.264 0.005 10 10 CCCE COC(=O)NC[C@@H](C)NC(=O)c1cc(O)c(O)c(O)c1 2286121540 SIIYBCNUQQEDLS-ZCFIWIBFSA-N 284.268 0.278 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)[C@H]2C[C@@H]3CCC[C@@H]3N2)C1 2309419111 DCEDDVNYWASTLW-UHFZAUJKSA-N 250.342 0.783 10 10 CCCE OCc1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CF)c(Cl)c1 2311997456 PGPVATQEDZYOPL-TUAOUCFPSA-N 275.707 0.712 10 10 CCCE COc1cc(N2C[C@@H](O)[C@H](OC)C2)ccc1CN 2311959610 IQLAKKJQJWPHDX-DGCLKSJQSA-N 252.314 0.350 10 10 CCCE CCN(CCN=[N+]=[N-])S(=O)(=O)c1ccnn1COC 2337780327 YULYVZXWLRIQNU-UHFFFAOYSA-N 288.333 0.808 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3CCC(C(N)=O)CC3)ccc21 36193846 RUZNTRMVRPGXFU-ZDUSSCGKSA-N 288.351 0.601 10 10 CCCE COCCN(CCN)C(=O)c1cccc(O)c1O 126841046 WVOGARNOCQPQII-UHFFFAOYSA-N 254.286 0.145 10 10 CCCE CCN(CC(=O)NC)Cc1ccc(OC)cc1O 132626251 WTNWCDMQRMDODQ-UHFFFAOYSA-N 252.314 0.969 10 10 CCCE Cc1ccc(O)c(CN2CCC[C@@]3(C2)NC(=O)NC3=O)c1 193469815 LLZLUHRLNMOGDV-HNNXBMFYSA-N 289.335 0.875 10 10 CCCE CCCN[C@@H](CN(C)c1ccc(OC)cc1)C(N)=O 49971982 KZSOUEJLDNESHU-ZDUSSCGKSA-N 265.357 0.985 10 10 CCCE CNC(=O)CCOC(=O)CCOc1ccc(N)cc1 51762391 JULASGPJLQUUQH-UHFFFAOYSA-N 266.297 0.717 10 10 CCCE CNC(=O)CN1CCN(Cc2cccc(C)c2O)CC1 700797942 RIWSNSITFDROBL-UHFFFAOYSA-N 277.368 0.564 10 10 CCCE NC(=O)CN1CCN(c2ccc(CO)c(Cl)c2)CC1 700775831 DASOLZPUOSCTSW-UHFFFAOYSA-N 283.759 0.440 10 10 CCCE CC(=O)C(=O)COC(=O)c1cnn(-c2cccnc2)c1 808545060 OFPAEVPLRTUSHY-UHFFFAOYSA-N 273.248 0.582 10 10 CCCE COc1c(C(=O)OCC(=O)C(C)=O)c(C)nn1C 808516607 IGHRYGNSOOEICB-UHFFFAOYSA-N 254.242 0.052 10 10 CCCE C[C@@]12CN(C(=O)COc3ccc(N)cc3)C[C@@]1(CO)C2 2165464312 OMGQBEBLCQHSLP-HUUCEWRRSA-N 276.336 0.879 10 10 CCCE COC(=O)[C@@H]1CN(C(C)=O)C[C@@H]1c1cccc(O)c1O 725425272 LXOITQSQSZMYGC-GHMZBOCLSA-N 279.292 0.833 10 10 CCCE COC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](O)CN=[N+]=[N-] 686245665 DXZOUDZGIOGNKF-RQJHMYQMSA-N 274.277 0.724 10 10 CCCE CC(=O)c1ccc(O)c(CN2CCN(C)C[C@@H]2CO)c1 699525537 YJFRKDMBHPQJCE-CQSZACIVSA-N 278.352 0.703 10 10 CCCE COc1cccc(CN[C@@H]2CCn3nnnc3C2)c1O 1875667882 XSGKXOHVRGBLSI-SNVBAGLBSA-N 275.312 0.492 10 10 CCCE C[C@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)CCN1 1885177527 ADPRQVHRSQMAQC-QMMMGPOBSA-N 266.297 0.627 10 10 CCCE CS(=O)(=O)N1CC(NCc2cccc(F)c2O)C1 1963495457 TYLJZDRCQXEOTR-UHFFFAOYSA-N 274.317 0.265 10 10 CCCE CCn1nnc([C@H](O)[C@@H](NC)c2ccccc2O)n1 1892980391 ASMQRXSCBINXCT-WDEREUQCSA-N 263.301 0.393 10 10 CCCE Nc1ccc(NC(=O)CN2CC[C@@H](N3CCC3)C2)cc1 702259565 WJLBXDONAVAZTB-CQSZACIVSA-N 274.368 0.987 10 10 CCCE CN(C)c1ccc(CNC(=O)[C@]23CNC[C@H]2C3)cc1 693194097 BFBLXNGSNHOKFZ-IUODEOHRSA-N 259.353 0.978 10 10 CCCE CCc1cccc(CN[C@@H]2CC(=O)N(C)C2=O)c1O 691520154 ARPCUMBHEXETHT-LLVKDONJSA-N 262.309 0.802 10 10 CCCE C[C@H](O)C1(NC(=O)Cc2ccc(O)c(O)c2)CC1 1453884166 AXJNCMHTGMLDIN-QMMMGPOBSA-N 251.282 0.670 10 10 CCCE CC(C)Oc1ccc(N2CC(=O)N[C@H](CN)C2)cc1 216997366 FIBPUQWLUCYNMU-LLVKDONJSA-N 263.341 0.737 10 10 CCCE CN(C)CCN(C)C(=O)Cc1ccc(O)c(O)c1 1545132595 OOJJEWCEJKWUJV-UHFFFAOYSA-N 252.314 0.660 10 10 CCCE COc1c[nH]c(C(=O)NCc2ccc(O)c(O)c2)cc1=O 1622664544 XIDQHJPWNJBZTM-UHFFFAOYSA-N 290.275 0.725 10 10 CCCE Cn1c(O)nnc1CNC(=O)c1cc(O)cs1 1640164918 OVIOHNYDJAQUJO-UHFFFAOYSA-N 254.271 0.218 10 10 CCCE Cc1nn(C)cc1CC(=O)NCc1ccc(O)c(O)c1 1635959175 FQUUJHPOYIRNQA-UHFFFAOYSA-N 275.308 0.999 10 10 CCCE CCOC(=O)CCCNC(=O)CN(C)CCN=[N+]=[N-] 1912152214 PYLIGLJZBXHWJR-UHFFFAOYSA-N 271.321 0.688 10 10 CCCE Cn1nc(C(=O)N2CCC(N=[N+]=[N-])CC2)ccc1=O 1912155350 PRZWUKPKFNDVPZ-UHFFFAOYSA-N 262.273 0.695 10 10 CCCE CN1[C@H]2CC[C@H]1C[C@@](NCCN=[N+]=[N-])(C(N)=O)CC2 1912164798 CWMKWALCQJMVGA-JBLDHEPKSA-N 266.349 0.757 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1C[C@H]2C[C@H]1CN2 1912309437 SWHLHACRDDXGJP-HBNTYKKESA-N 262.309 0.507 10 10 CCCE O=S1(=O)CC[C@H](CNCc2c(O)cccc2F)N1 1965975983 JITLUUCWFDBCFU-MRVPVSSYSA-N 274.317 0.313 10 10 CCCE COC(=O)NC[C@H]1CCN1Cc1cc(N)ccc1O 2130745921 GNMBUNAOCHFDNX-LLVKDONJSA-N 265.313 0.905 10 10 CCCE CO[C@@H]1C[C@@H]1CN(C)C(=O)c1cc(O)c(O)c(O)c1 2132418880 OHGSYUDJODYSRE-LDYMZIIASA-N 267.281 0.910 10 10 CCCE COC[C@H](O)CN(C)[C@@H](C)C(=O)Nc1ccc(N)cc1 220220007 NYPVROMZBHEHEC-GXFFZTMASA-N 281.356 0.535 10 10 CCCE CN1C(=O)[C@@H](O)c2ccc(N3CC[C@@](F)(CO)C3)cc21 1917135617 FMIVMBVZLKMMCY-JSGCOSHPSA-N 280.299 0.607 10 10 CCCE Nc1ccc(OCC(=O)NCCSCCCO)cc1 230780066 RDKVKLXSQKALSD-UHFFFAOYSA-N 284.381 0.879 10 10 CCCE C[C@H](O)c1ccc(N2C[C@H](O)[C@H](O)[C@H]2CF)c(F)c1 2140661717 IKOIOGGGODEOPQ-GUQKDYTMSA-N 273.279 0.759 10 10 CCCE CO[C@@H]1C[C@H](C(=O)O)N(C(=O)c2ccc(O)c(O)c2)C1 234775547 BKOTUMRYPOLGNO-RKDXNWHRSA-N 281.264 0.412 10 10 CCCE C[C@H](C(=O)O)C1CN(C(=O)c2ccc(O)c(O)c2)C1 235069669 MFKPLOLYFWJLPW-ZETCQYMHSA-N 265.265 0.891 10 10 CCCE Nc1ccc(CNC[C@H]2CCS(=O)(=O)N2)cc1 1944060707 BLMXFIMRSVLPCX-LLVKDONJSA-N 255.343 0.050 10 10 CCCE CC(C)(C)OC(=O)NC[C@@H](N)Cc1cc(O)nc(O)c1 1952706717 OFLAXZNXAAFJJB-VIFPVBQESA-N 283.328 0.887 10 10 CCCE C[C@H](O)C[C@H]1COCCN1C(=O)Cc1ccc(N)cc1 1972193429 BBYVNFBRVPOXOU-FZMZJTMJSA-N 278.352 0.810 10 10 CCCE C[C@H](CN(C)C)NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 168735591 DENLDFYJZCKNHN-KOLCDFICSA-N 281.356 0.034 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCC1CC(F)C1 2148924788 OPUNASVPJUCJLD-ILDUYXDCSA-N 282.315 0.832 10 10 CCCE Cc1[nH]c(=O)sc1S(=O)(=O)NCc1ccc(N)cc1 36288627 AIAOOPLYCBENBX-UHFFFAOYSA-N 299.377 0.806 10 10 CCCE NC(=O)[C@H]1CCC[C@H](NCc2ccc(O)c(O)c2O)C1 2146211245 IUFXKOHOAINUAG-WPRPVWTQSA-N 280.324 0.937 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC[C@@H](CO)C(F)(F)C1 2146377032 HZILMRSOLNPYJZ-QMMMGPOBSA-N 288.250 0.583 10 10 CCCE CNC(=O)[C@@H]1[C@@H](C)CCN1C(=O)c1cccc(O)c1O 2146447699 PMZQNHMMYDACBI-KWQFWETISA-N 278.308 0.694 10 10 CCCE CC1(C)CN(Cc2cc(N)ccc2O)C[C@@H](CO)O1 162949051 PSIPIDIWFNRMDM-LBPRGKRZSA-N 266.341 0.946 10 10 CCCE CN(C)C(=O)[C@@H]1COCCN1c1ccc(CO)cc1F 2155016156 BLHGZWSJLAHZPJ-ZDUSSCGKSA-N 282.315 0.611 10 10 CCCE O=C(N[C@H]1CCc2nncn2C1)c1ccc(O)c(O)c1 2159980315 VFDUUBALHJZRGS-VIFPVBQESA-N 274.280 0.434 10 10 CCCE C[C@@H](O)c1ccc(N2C[C@H](CO)C[C@@H]2CO)cc1 2029385385 QBMWXAYIFKZSGS-JTNHKYCSSA-N 251.326 0.919 10 10 CCCE Nc1ccc(CS(=O)(=O)NC[C@@H]2CCC(=O)NC2)cc1 2159422741 KYDQWAFZYHLUIK-LLVKDONJSA-N 297.380 0.214 10 10 CCCE NC(=O)[C@@H]1C[C@@H](N)CN(c2ccc3c(c2)OCCO3)C1 2162657374 DEJMBEGMUMTPTR-NXEZZACHSA-N 277.324 0.097 10 10 CCCE CN[C@H](C)c1ccc(N2C[C@@H](O)[C@@H](O)C2(C)C)cc1O 2181217242 UHBCDEPUJOGPPA-OWYVNGRQSA-N 280.368 0.993 10 10 CCCE COC1(C)CN(C[C@H](O)COc2ccc(N)cc2)C1 382595285 FNFYYSFGBAAITF-LBPRGKRZSA-N 266.341 0.729 10 10 CCCE CCN[C@@H]1CCOC[C@@H]1NC(=O)c1ccc(O)c(O)c1 717161824 HEZMMQOWPBDPEZ-MNOVXSKESA-N 280.324 0.595 10 10 CCCE CN(c1ccc2c(c1)NC(=O)[C@H]2O)[C@H]1CCCNC1=O 2171077386 NVBICIDQBPMGCH-RYUDHWBXSA-N 275.308 0.387 10 10 CCCE Nc1ccc(O)c(CN2CCN([C@H]3CCOC3)CC2)c1 2171297070 OJKMTSMKGQEMDO-AWEZNQCLSA-N 277.368 0.881 10 10 CCCE Nc1ccc(CC(=O)N2CC[C@@H](O)C[C@@H]2C(=O)O)cc1 2177395096 LFEBIZFCFGLAAE-VXGBXAGGSA-N 278.308 0.248 10 10 CCCE NCc1ccc(N2CCn3c(CO)nnc3C2)cc1Cl 2171785349 VGYUAEAYDFWVTG-UHFFFAOYSA-N 293.758 0.903 10 10 CCCE C[C@@H]1CN(C[C@H](O)COc2ccc(N)cc2)CC[S@]1=O 2171971570 HSPRWLQIKVWDAT-POEZALAKSA-N 298.408 0.461 10 10 CCCE CO[C@@]1(CNC(=O)c2cc(O)c(O)c(O)c2)CCOC1 2188867976 KBOHGRMZXBQJGH-CYBMUJFWSA-N 283.280 0.339 10 10 CCCE CCOC(=O)[C@H](NCCCN=[N+]=[N-])c1nnn(CC)n1 2197847319 FSXMWHNVTHHWEP-MRVPVSSYSA-N 282.308 0.587 10 10 CCCE CN(c1cc2c(cc1N)OCC(=O)N2)C1(CCO)CC1 2190075401 ISNNPUFMOOXGKE-UHFFFAOYSA-N 277.324 0.951 10 10 CCCE C[C@@H]1C(=O)NC(=O)CN1c1ccc2c(c1)CCC[C@@H]2N 2184688400 YKHBTYKTVVASKW-RNCFNFMXSA-N 273.336 0.874 10 10 CCCE C[C@](CN)(NC(=O)c1cccc(O)c1O)C(F)F 2043172560 YEVCCLRKEAYQKC-LLVKDONJSA-N 260.240 0.810 10 10 CCCE [N-]=[N+]=NCCN[C@H](C(N)=O)c1ncoc1C1CC1 2050348493 OBOPPICZIXEHSI-QMMMGPOBSA-N 250.262 0.978 10 10 CCCE CCOC(=O)c1cccc(N)c1N[C@H]1CCNC[C@@H]1O 2191741919 KQKOCEQOGJAVHI-RYUDHWBXSA-N 279.340 0.580 10 10 CCCE NN[C@@H](c1ccccc1O)[C@@H]1[C@@H]2CS(=O)(=O)C[C@@H]21 2054212820 YREPWKBURLGUBZ-QCMRWSPLSA-N 268.338 0.187 10 10 CCCE CCN1C[C@@H](O)[C@H](OCCc2ccc(N)cc2)C1 2056189837 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Nc1ccc(OCC(=O)N2C[C@H]3C[C@]3(CO)C2)cc1 2090117520 XHQGWTXPTDTYHO-QMTHXVAHSA-N 262.309 0.488 10 10 CCCE COc1ccc(N2C[C@]3(CO)C[C@]3(CO)C2)c(N)c1 2090115322 DPGYPAOTPFDTNA-OKILXGFUSA-N 264.325 0.459 10 10 CCCE CN[C@H](c1ccccc1O)C1(O)CC(S(C)(=O)=O)C1 2091865901 CDPGLBFYVSIPBP-BKDHPRRPSA-N 285.365 0.591 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@H]2[C@H]3CCOC[C@H]32)cc1 2093708526 ARJAGBDUFHDNHK-YNEHKIRRSA-N 282.365 0.723 10 10 CCCE Cc1ncc(N)c(=NCCOc2ccc(N)cc2)[nH]1 2271063516 OJABKJMUKPQFJM-UHFFFAOYSA-N 259.313 0.862 10 10 CCCE CCN(CC)CC(C)(C)COc1nnc(=N)[nH]n1 2219013774 WWDIJTDQHBMLKY-UHFFFAOYSA-N 254.338 0.426 10 10 CCCE Cc1cc([C@@H](C)O)ccc1N1C[C@@H](O)C[C@@H](O)C1 2223974628 FEYJKIVTGKLISD-RTXFEEFZSA-N 251.326 0.980 10 10 CCCE COc1cccc(CN[C@@H]2CCC[C@@H](O)[C@@H]2O)c1O 2224354040 HEMBKPNFLBCZDK-JTNHKYCSSA-N 267.325 0.765 10 10 CCCE COc1ccc(N2CCC[C@H]3C(=O)NC[C@H]32)c(CO)c1 2236000464 VIWTUHXLNYQLNC-TZMCWYRMSA-N 276.336 0.902 10 10 CCCE CSc1ncc(CNC[C@H]2COCCN2)s1 2243810386 KSEWFJQNMOFMKK-QMMMGPOBSA-N 259.400 0.943 10 10 CCCE C[C@@H](O)c1ccc(N2CC(O)(CCO)C2)c(F)c1 2258289019 OGZYBGRDKSQJSR-SECBINFHSA-N 255.289 0.813 10 10 CCCE NCc1cc(F)c(N2CC[C@H](O)[C@H](O)CC2)c(F)c1 2269149022 XTDIJVWOSRBUMG-TXEJJXNPSA-N 272.295 0.746 10 10 CCCE Nc1ccc(CC(=O)NC[C@H]2CC[C@H](CO)CO2)cc1 2279365005 XXENQLFKSORLTI-TZMCWYRMSA-N 278.352 0.715 10 10 CCCE Cc1cc(N2CC(=O)NC(=O)[C@H]2C)ccc1[C@@H](C)O 2269691416 TTYZTGFWKOGMMP-NXEZZACHSA-N 262.309 0.900 10 10 CCCE NCc1ccc(N2C[C@@H]3OC[C@H](CO)O[C@H]3C2)cc1F 2279774311 IKWBVXXJNZJRII-UBHSHLNASA-N 282.315 0.249 10 10 CCCE CCCCN1C(=O)NC(=O)C(=CNN2CCCCC2)C1=O 2296400234 HEIPSZANSSOESI-UHFFFAOYSA-N 294.355 0.739 10 10 CCCE Cc1cccc(CNC(=O)[C@]23CCO[C@H]2CNC3)c1O 2296489443 KITRBJLBVACFDW-WFASDCNBSA-N 276.336 0.695 10 10 CCCE NCc1ccc(N2C[C@@H]3C[C@H]2[C@@H](O)[C@H]3O)c(F)c1 2308772079 XLZPGCFRNYJLIE-ZBPZKIAKSA-N 252.289 0.215 10 10 CCCE Nc1ccc(NC(=O)[C@@H]2COC[C@@H]2C(=O)O)cc1 2316476539 CUTKMPKBNCAVGX-ZJUUUORDSA-N 250.254 0.555 10 10 CCCE C[C@H]1[C@H](C)[C@H](N)CCN1C(=O)c1cc(O)nc(O)c1 2344586140 MDBDUIUWNZJTPV-OYNCUSHFSA-N 265.313 0.691 10 10 CCCE C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)COc1ccc(N)cc1 40330539 OTEPADTVRTTZRI-GHMZBOCLSA-N 291.351 0.760 10 10 CCCE CC[S@](=O)CCNS(=O)(=O)Cc1ccc(N)cc1 131989453 BAYBMQSYZGJBFX-QGZVFWFLSA-N 290.410 0.457 10 10 CCCE CN1C[C@H](NCc2cccc(O)c2O)CCC1=O 84063109 OECDAZOSQWQDDQ-SNVBAGLBSA-N 250.298 0.808 10 10 CCCE CNCc1cc(F)c(N2C[C@H](O)[C@H](O)C2)c(F)c1 234399377 HKBVEWJYENCDLL-PHIMTYICSA-N 258.268 0.226 10 10 CCCE CCCn1cncc1[C@H](NCCN=[N+]=[N-])C(N)=O 90257826 KUWKAJBESCISQJ-VIFPVBQESA-N 251.294 0.719 10 10 CCCE COc1cc(OC)c2c(c1)C(=O)NCCN2CCCN 527431993 KYLVVHATVLHCSJ-UHFFFAOYSA-N 279.340 0.602 10 10 CCCE CC(C)NC(=O)C1CN(C(=O)c2cccc(O)c2O)C1 2168049261 NCDNTXAGVXPORL-UHFFFAOYSA-N 278.308 0.694 10 10 CCCE NC(=O)c1cccc(N)c1N[C@H]1CCCN(CCO)C1 2165031468 ULTCVFCSPVNCFN-JTQLQIEISA-N 278.356 0.236 10 10 CCCE CC(=O)C(=O)COC(=O)CCS(=O)(=O)C1CCCC1 808505643 JJIZZLUGHQRVOI-UHFFFAOYSA-N 290.337 0.435 10 10 CCCE Cn1c(=O)cc(Cl)n(Cc2ccc(N)cc2)c1=O 669369621 CCYRHDUTSTVRHX-UHFFFAOYSA-N 265.700 0.831 10 10 CCCE Cc1ccc(C(=O)N[C@H]2Cc3cncn3C2)c(O)c1O 857887550 RORBRVRHBYAPNC-VIFPVBQESA-N 273.292 0.957 10 10 CCCE O=C(NCc1ccccc1O)c1ccc(-n2cnnn2)cn1 857472787 ZNXQJVHJGOXCHU-UHFFFAOYSA-N 296.290 0.693 10 10 CCCE O=C1COCCN1CC(=O)N1Cc2cccc(O)c2C1 871205052 UXCIFSGUAIQLEK-UHFFFAOYSA-N 276.292 0.093 10 10 CCCE CCCC(=O)NCC(=O)NCc1ccc(O)c(O)c1 778920127 WUGPAAXDPOHTEW-UHFFFAOYSA-N 266.297 0.630 10 10 CCCE COc1cccc(CNCCCS(N)(=O)=O)c1O 45066645 UUGODITYVVOPFJ-UHFFFAOYSA-N 274.342 0.169 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)c1ccnc2[nH]nnc12 1150487232 BDFOLHOTJAGSLI-UHFFFAOYSA-N 299.290 0.737 10 10 CCCE CC(C)NC(=O)NC(=O)COc1ccc(N)cc1 38055397 ZWJAEUBQSGJPAZ-UHFFFAOYSA-N 251.286 0.882 10 10 CCCE CN1CCOC[C@@H]1C(=O)NCc1ccccc1O 1963370490 JYKSANQQALSCAW-LLVKDONJSA-N 250.298 0.339 10 10 CCCE COC(=O)c1nonc1NCc1cc(O)ccc1O 83480468 OYRCIVPFTLYADM-UHFFFAOYSA-N 265.225 0.880 10 10 CCCE COc1ccc2c(c1O)[C@@H]([C@H](O)CC(=O)O)NCC2 83708353 VLJPABRBULDDKN-PRHODGIISA-N 267.281 0.423 10 10 CCCE CN[C@H]1CN(C)c2cc(OC)c(OC)cc2C1=O 84797804 CDRQPZVURVTMED-VIFPVBQESA-N 250.298 0.924 10 10 CCCE NC(=O)CONCc1c(O)cccc1Br 706830336 QPQQAVAMZUTASY-UHFFFAOYSA-N 275.102 0.661 10 10 CCCE CN(C)c1ccc(/C=C\CNC[C@@H](O)C(=O)O)cc1 1332031978 FXZKBPTUFNNYDF-DHCBQETCSA-N 264.325 0.801 10 10 CCCE CNC(=O)[C@@H](C)N(C)CC(=O)Nc1ccc(N)cc1 1916806824 UQVPZHWSAVLUAT-SECBINFHSA-N 264.329 0.274 10 10 CCCE NCC[C@H]1CN(C(=O)c2cccc(O)c2O)CCO1 2116231240 MJPOTMSDEZMQOM-VIFPVBQESA-N 266.297 0.288 10 10 CCCE COC(=O)[C@@](C)(CO)NC(=O)c1ccc(C)c(O)c1O 1451218230 ZRWRCOCPDPUFGY-CYBMUJFWSA-N 283.280 0.060 10 10 CCCE [N-]=[N+]=NCC1(CNS(=O)(=O)N2CCC(O)CC2)CC1 2117726961 DOPASVXEFSECJG-UHFFFAOYSA-N 289.361 0.368 10 10 CCCE C[C@H]1CN(C)C[C@H](CN)N1c1ccc2c(c1)OCO2 216993588 AOVLIXSJIFTSBK-JQWIXIFHSA-N 263.341 0.883 10 10 CCCE CC1=NNC(=O)[C@H]1CCNC(=O)Cc1ccc(O)c(O)c1 1628275037 VKFKNKBCVZNLAO-JTQLQIEISA-N 291.307 0.269 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NC[C@H]1COCCO1 1626297375 UTMQDUNVKVYXED-JTQLQIEISA-N 267.281 0.172 10 10 CCCE O=C(CNCC(F)(F)F)NCc1c(O)cccc1O 1647268772 BZGJAMPYTAOSAQ-UHFFFAOYSA-N 278.230 0.866 10 10 CCCE CCOC(=O)NCCC(=O)NCc1cccc(O)c1O 1651173024 NTPGFNKAYRXINY-UHFFFAOYSA-N 282.296 0.850 10 10 CCCE Cn1nccc1[C@H](O)CNC(=O)c1c(F)ccc(O)c1O 1651242743 LINGSWGBHIDPGN-SNVBAGLBSA-N 295.270 0.434 10 10 CCCE O=C(NCc1nnnn1C1CC1)c1cccc(O)c1O 1630319036 XWWSCKHOPBPESP-UHFFFAOYSA-N 275.268 0.349 10 10 CCCE CCNC(=O)NC(=O)CN1CCC(CN=[N+]=[N-])CC1 1912147023 GOYCUFZSTGYKRI-UHFFFAOYSA-N 268.321 0.854 10 10 CCCE COC(=O)NS(=O)(=O)NCc1ccccc1O 163241529 ASEFIJNJTJEDHV-UHFFFAOYSA-N 260.271 0.083 10 10 CCCE O=C(c1cccc(O)c1O)N1C[C@H]2C[C@H](O)C[C@H]2C1 2128645352 IISGAJKPSLVHGU-MYJAWHEDSA-N 263.293 0.941 10 10 CCCE COC(=O)CC[C@@H](NC(=O)Cc1ccc(N)cc1)C(=O)O 168837255 IALMKOHXPUPYJO-LLVKDONJSA-N 294.307 0.334 10 10 CCCE CCOc1ccc(N2C[C@H](C)NC(=O)[C@H]2CN)cc1 250625462 CZDMXGMAEDAMRQ-GXFFZTMASA-N 263.341 0.737 10 10 CCCE C[C@H]1CN(C)C[C@@H](CO)N1c1ccc2c(c1)OCO2 251541734 BMOQZOPYQLAWGM-JQWIXIFHSA-N 264.325 0.917 10 10 CCCE N[C@]1(CO)CCCN(c2ccc3c(c2)OCCO3)C1 259476730 YODIBSCSCLKPEP-CQSZACIVSA-N 264.325 0.748 10 10 CCCE CO[C@@H]1C[C@@H](NC(=O)Cc2ccc(N)cc2)C[C@@H]1O 2130804490 JRGPAWQRRIJFDW-RWMBFGLXSA-N 264.325 0.466 10 10 CCCE C[C@@H](CCNC(=O)c1cc(O)c(O)c(O)c1)C(=O)O 2132348784 SCDBFUYOERKJAR-LURJTMIESA-N 269.253 0.644 10 10 CCCE C[C@H]1[C@H](NC(=O)c2cc(O)c(O)c(O)c2)CCN1C 2132401536 AARZFLBHYQFMPY-IONNQARKSA-N 266.297 0.626 10 10 CCCE NC[C@H](CC1CC1)NC(=O)c1cc(O)c(O)c(O)c1 2132417537 DJSBJECHCDHSDA-VIFPVBQESA-N 266.297 0.661 10 10 CCCE CNCc1ccc(N(CCO)C2COC2)cc1C 1915518264 QEPLAZUKYGTQJX-UHFFFAOYSA-N 250.342 0.912 10 10 CCCE Nc1ccc(CC(=O)NC[C@@H]2CCCS2(=O)=O)cc1 212666587 AHCBPXDPJGMXAA-LBPRGKRZSA-N 282.365 0.505 10 10 CCCE O[C@H]1CN(c2ccc3c(c2)CC[C@H]3O)[C@H](CF)[C@H]1O 2140655331 RVNZFTIZHUOUGJ-YIYPIFLZSA-N 267.300 0.546 10 10 CCCE C[C@H]1OCC[C@@]1(O)CNC(=O)Cc1ccc(N)cc1 227096201 SQMSZLBFTAJJER-QMTHXVAHSA-N 264.325 0.467 10 10 CCCE CN(C)[C@@H]1COC[C@@H]1NCc1ccc(O)c(O)c1 1922023586 RXQUPGPWTJAMAM-WDEREUQCSA-N 252.314 0.516 10 10 CCCE CN(C)C[C@@H]1COC[C@@H]1NCc1cccc(O)c1O 2141450529 FVSHJKSROKYXPQ-NEPJUHHUSA-N 266.341 0.764 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1CCNC1 1969193633 JWJOOJTYHKVKEX-SNVBAGLBSA-N 250.298 0.366 10 10 CCCE COCCN(CCCN)C(=O)c1cccc(O)c1O 125946798 TTZNCNWVHNRALH-UHFFFAOYSA-N 268.313 0.535 10 10 CCCE Cn1cnc(CNS(=O)(=O)Cc2ccc(N)cc2)n1 236135504 CRWGGQWQMUIQME-UHFFFAOYSA-N 281.341 0.017 10 10 CCCE CO[C@H]1COC[C@@H]1OC(=O)CCOc1ccc(N)cc1 2146757285 SDVGEBPREVRNTI-STQMWFEESA-N 281.308 0.995 10 10 CCCE CN(C)c1ccc([C@@H](O)C(=O)CC2CS(=O)(=O)C2)cc1 2146998492 XUDVLJOGNMVRFI-CQSZACIVSA-N 297.376 0.790 10 10 CCCE N[C@H](Cc1ccc(O)c(O)c1)C(=O)CCC(=O)O 1951506008 FVBSVMHTIPFFMJ-MRVPVSSYSA-N 253.254 0.402 10 10 CCCE CN1CC(N(C)[C@H](CN)c2ccc3c(c2)CCN3C)C1 2145470274 RSYUOBTYSKFYAN-MRXNPFEDSA-N 274.412 0.925 10 10 CCCE N[C@@H]1C[C@H](O)CN(Cc2ccc(Cl)cc2O)C1 2002698629 FJXBDEYWKYXPEQ-MNOVXSKESA-N 256.733 0.940 10 10 CCCE C[C@@H](C(=O)N(C)C)N1CCN(c2ccc(N)cc2)CC1 57470044 GVXDRASPXOMWPN-LBPRGKRZSA-N 276.384 0.868 10 10 CCCE CO[C@H]1COC[C@H]1OC(=O)Cc1ccc(N)cc1 2030137960 JMXMZVRSQCQCEB-NWDGAFQWSA-N 251.282 0.768 10 10 CCCE O=[N+]([O-])c1ccc(N2C[C@H](F)[C@H](O)C2)cc1CO 2031869999 HILZPYXZEPFFTN-GXSJLCMTSA-N 256.233 0.606 10 10 CCCE CNCc1ccc(OCC(=O)NC(N)=O)c(C)c1 2037499969 VSMHQHPYRQKEIP-UHFFFAOYSA-N 251.286 0.288 10 10 CCCE NC(=O)c1nc(=NCCOc2ccc(N)cc2)cc[nH]1 2157365403 WILKOTOOYMSXSA-UHFFFAOYSA-N 273.296 0.071 10 10 CCCE Nc1ccc(OCCN2CCN3C[C@H](O)C[C@@H]3C2)cc1 405309558 MFRYWTJDRMSJAY-ZIAGYGMSSA-N 277.368 0.398 10 10 CCCE C[C@H](N)c1ccc(N2CC[C@H]3C(=O)NC(=O)[C@H]3C2)cc1 2158788344 ZYPLWZYVIISHJZ-BIMULSAOSA-N 273.336 0.805 10 10 CCCE CNC(=O)NC(=O)CN1CCCc2cc(CN)ccc21 700946003 FOYZGQVNDMRKAA-UHFFFAOYSA-N 276.340 0.354 10 10 CCCE O=C(O)[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)CC12CC2 714519657 QWOXESFLUAJUQW-QMMMGPOBSA-N 278.264 0.430 10 10 CCCE CC1(C)CN(C(=O)COc2ccc(N)cc2)C[C@H]1O 387625800 XGVAMWUHVJKTSL-GFCCVEGCSA-N 264.325 0.877 10 10 CCCE O=C(c1cccc(O)c1O)N1C[C@H]2CCNC[C@@H]2C1 389179362 RJXCLGKOJJSJPN-NXEZZACHSA-N 262.309 0.779 10 10 CCCE CN1CCc2cc(CN[C@@H]3CCN(C(N)=O)C3)ccc21 393351789 KEEKGLLOILSAOA-CYBMUJFWSA-N 274.368 0.922 10 10 CCCE Nc1ccc(CCC(=O)N[C@H]2[C@H]3CS(=O)(=O)C[C@H]32)cc1 2174708198 OUHOSPUBSZYCKR-DABQJJPHSA-N 294.376 0.361 10 10 CCCE C[C@H](c1ccccc1O)N1CC[C@@]2(C1)NC(=O)NC2=O 2170617162 LALLFYSISQYDGV-OTYXRUKQSA-N 275.308 0.737 10 10 CCCE COCC[C@H](NC(=O)c1cc(O)c(O)c(O)c1)C(=O)O 2188868026 KTVOSYHQMDUSLH-ZETCQYMHSA-N 285.252 0.023 10 10 CCCE C[C@H](O)c1ccc(N2C[C@@H]3C[C@H](C2)[C@@H](O)[C@@H]3O)cc1O 2182554432 ROXVETQMWJLVMR-TUWBQHJRSA-N 279.336 0.623 10 10 CCCE C[C@H](O)c1ccc(N2CCNC(=O)[C@H]2C(N)=O)c(Cl)c1 2184132651 QVBWGBSPZJFBFG-WRWORJQWSA-N 297.742 0.183 10 10 CCCE O=C(N[C@]1(C(=O)O)C[C@H](CO)C1)c1ccc(O)c(O)c1 2193920183 DRPUUHXFSFLLSV-PPRHIFSWSA-N 281.264 0.053 10 10 CCCE Nc1ccc(OCCN2[C@H]3CC[C@H]2[C@H](O)[C@H](O)C3)cc1 2190455727 BRKVXVMVFRTMPA-MHEUCROKSA-N 278.352 0.606 10 10 CCCE Nc1ccc(CC(=O)N[C@H]2CCO[C@H](C(=O)O)C2)cc1 2194374269 JBWVNWDCVIYVOW-RYUDHWBXSA-N 278.308 0.560 10 10 CCCE COc1cc(C(=O)N[C@@H]2CCNC2)cc(OC)n1 2048068141 HWEVOZNDZURVJI-SECBINFHSA-N 251.286 0.191 10 10 CCCE O=S(=O)(NCc1ccccc1O)[C@@H](CO)C1CC1 2048175316 RDHWUZVTWYGXOE-LBPRGKRZSA-N 271.338 0.583 10 10 CCCE CN(CC(CO)CO)c1cc(Cl)c(CN)cc1F 2057253219 UIKIUULOKDHKPK-UHFFFAOYSA-N 276.739 0.975 10 10 CCCE NCc1cc(F)c(N2C[C@H](O)C[C@@H]2CO)cc1Cl 2057253157 SUTUKLDTBYDWKZ-RKDXNWHRSA-N 274.723 0.870 10 10 CCCE COC(=O)[C@H](NCCN=[N+]=[N-])[C@@H]1[C@H]2CCOC[C@H]21 2060948604 CBJPZOVKQBTEEN-SGIHWFKDSA-N 254.290 0.710 10 10 CCCE C[C@H](N)c1ccc(N2C[C@H]3C[C@H]2CN3C(N)=O)cc1O 2192286156 OREYZEXSLFCQET-INTQDDNPSA-N 276.340 0.754 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CCCOCC1 2068576182 HRPPJOBFJJGBQM-UHFFFAOYSA-N 253.254 0.666 10 10 CCCE O=C(NC[C@@H]1C[C@H]1CO)c1cc(O)c(O)c(O)c1 2068578113 QSQKJKBCQKSNKO-YUMQZZPRSA-N 253.254 0.162 10 10 CCCE C[C@H](c1ccccc1O)N(C)C(=O)C1=C[C@@H](O)[C@H](N)C1 2188028847 BRHXTEIGKXEBEU-GAJTVXKRSA-N 276.336 0.930 10 10 CCCE CN(Cc1ccccc1O)C(=O)NC[C@@H](O)CC(=O)O 2192607497 SOLHRYVSHCGSAN-JTQLQIEISA-N 282.296 0.369 10 10 CCCE N[C@@H]1CCc2cc(N3CC[C@H]4C[C@H]3[C@@H](O)[C@@H]4O)ccc21 2199530115 BTKLXMNNEBZPCA-YRSMIWHRSA-N 274.364 0.953 10 10 CCCE CC[C@H](c1ccccc1O)N1CC(=O)NC[C@H]1C(=O)O 2201039565 PPTPNEPCRQLQRA-MNOVXSKESA-N 278.308 0.728 10 10 CCCE COc1ccc(CN2C[C@H](N)[C@@H]3COC[C@@H]32)c(O)c1 2102143265 YPYLOJSPYLGKFB-AVGNSLFASA-N 264.325 0.559 10 10 CCCE Cc1cc(O)ccc1NS(=O)(=O)N1CCC[C@H]1CO 2105594224 FXNWGDCCRPLMFP-JTQLQIEISA-N 286.353 0.814 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CCCC2(CNC2)C1 2088025966 WKESTIHITMZTTR-UHFFFAOYSA-N 263.297 0.318 10 10 CCCE Nc1ccc(OCC(=O)NCC23CC(CO2)C3)cc1 2089143269 NUVZHYGWYXXPGR-UHFFFAOYSA-N 262.309 0.943 10 10 CCCE CON(C(=O)[C@@H](N)Cc1ccc(O)c(O)c1)C(C)C 2090206439 IIAZRWUCAOTLKZ-JTQLQIEISA-N 268.313 0.766 10 10 CCCE CC[C@](C)(O)CN(CC(N)=O)Cc1ccc(N)cc1 2099403029 PJTONPBNRLERIS-AWEZNQCLSA-N 265.357 0.717 10 10 CCCE C[C@H]1[C@@H](C)N(Cc2cc(N)ccc2O)CCS1(=O)=O 2113898437 QSGPLMJJOBFQFU-ZJUUUORDSA-N 284.381 0.982 10 10 CCCE CNCc1ccc(N2C[C@H]3C(C(N)=O)[C@@H]3C2)cc1OC 2204555842 AEFDYJCRVOEVMN-VXGBXAGGSA-N 275.352 0.582 10 10 CCCE Cc1cccc(CNC(=O)[C@H]2CN(C)CCN2C)c1O 2204628096 WHKRPYJCDNYOQV-CYBMUJFWSA-N 277.368 0.563 10 10 CCCE Cc1cccc(CNS(=O)(=O)[C@H]2C[C@@H](C(=O)O)C2)c1O 2204611084 SDPLPRDCMACIPM-PHIMTYICSA-N 299.348 0.983 10 10 CCCE C[C@H](N)c1ccc(N2CC[C@H](O)[C@H](O)CC2)cc1O 2269136966 DNEKFGLOVBUKPB-TVYUQYBPSA-N 266.341 0.734 10 10 CCCE O=C(N[C@@H]1COC2(CCC2)[C@@H]1O)c1cccc(O)c1O 2206472026 PZYAUYURRXMOFN-BXKDBHETSA-N 279.292 0.510 10 10 CCCE Nc1ccc(CC(=O)N[C@@H]2COC3(CCC3)[C@@H]2O)cc1 2206480551 UKMZGCNTSDDSIL-TZMCWYRMSA-N 276.336 0.610 10 10 CCCE Cc1cc([C@H](C)N)ccc1N1C[C@H]2C[C@H]1[C@@H](O)[C@@H]2O 2232101087 UKVUEUUWPDCTCM-SAFZEOACSA-N 262.353 0.945 10 10 CCCE O=C([C@@H]1CNc2ccccc2N1)N1C[C@@H](O)C[C@H](F)C1 2234666820 JZUYUGBUJLIFDF-KWBADKCTSA-N 279.315 0.824 10 10 CCCE OCc1ccc(N2CC[C@@](O)(CO)[C@@H](O)C2)cc1Cl 2225727480 OMHMFNPQOXAWIX-QWHCGFSZSA-N 287.743 0.127 10 10 CCCE [N-]=[N+]=N[C@@H]1CCC[C@H]1NC(=O)Cn1cccnc1=O 2225801127 UDEUCZJDXHEFAT-RKDXNWHRSA-N 262.273 0.591 10 10 CCCE CNCc1cc(OC)ccc1N1CCOC[C@@H](CO)C1 2235961100 XJGUDWSXLRWSPN-GFCCVEGCSA-N 280.368 0.860 10 10 CCCE CNCc1cc(OC)ccc1N1C[C@@H](CO)C[C@@H]1CO 2235972462 MQAYEKQQJLGHKZ-WCQYABFASA-N 280.368 0.594 10 10 CCCE Nc1ccc(N2CCN(C[C@@H]3CNC(=O)O3)C2=O)cc1 2236803735 LZZXHZLGSKAUJG-NSHDSACASA-N 276.296 0.619 10 10 CCCE NC[C@@H]1CC(F)(F)CN1C(=O)Cc1ccc(O)c(O)c1 2296367165 PDFVJWQHNFDXDQ-VIFPVBQESA-N 286.278 0.835 10 10 CCCE CC(C)Oc1ccc(N2C[C@H](O)[C@H](O)[C@H](CO)C2)cc1 2289358623 VDWFKWXMMNWPSU-TUKIKUTGSA-N 281.352 0.624 10 10 CCCE Nc1ccc(O)c(CN2C[C@@H]3[C@H](C2)CS3(=O)=O)c1 2314783613 KCCTYHPFWRANKD-BXKDBHETSA-N 268.338 0.203 10 10 CCCE CNCc1ccc(N2CC([C@H](O)CO)C2)cc1Cl 2315147571 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C[C@H](CO)N(C)C[C@H](O)COc1ccc(N)cc1 122245331 KQILTSUIZOYSGR-PWSUYJOCSA-N 254.330 0.321 10 10 CCCE CNC(=O)[C@@H]1CCCCN1C(=O)COc1ccc(N)cc1 40325417 PTKVFJPZXQUZPJ-ZDUSSCGKSA-N 291.351 0.775 10 10 CCCE CN[C@@H]1COC[C@H]1C(=O)NCc1ccccc1O 228423589 WFOZWPFOKWPAQI-GHMZBOCLSA-N 250.298 0.243 10 10 CCCE CCNC(=O)COC(=O)CCc1ccc(N)cc1 41101696 NUDLTGPRCWRAOQ-UHFFFAOYSA-N 250.298 0.881 10 10 CCCE CCC(CO)(CO)NCc1ccc(O)c(O)c1O 226762884 JTJSPGQVIQVORM-UHFFFAOYSA-N 257.286 0.026 10 10 CCCE COC[C@H](CO)NC(=O)/C=C/c1ccc(N(C)C)cc1 234747451 TVHSFGPGIUYDCC-PPGNKHEKSA-N 278.352 0.889 10 10 CCCE C[C@H](c1ccc(F)cc1O)N1CCNC[C@H]1C(=O)N(C)C 251603944 ZTOLPTYVQHGDRW-MFKMUULPSA-N 295.358 0.954 10 10 CCCE CC(=O)C(=O)COC(=O)[C@@H](O)Cc1ccccc1Cl 808540011 LHETVMJGVXKKFW-NSHDSACASA-N 284.695 0.945 10 10 CCCE C[C@H]1CN(C)C[C@H]1NC(=O)COc1ccc(N)cc1 722241244 RIVINUXZOUBQAK-GXFFZTMASA-N 263.341 0.714 10 10 CCCE CCCN(Cc1ccccc1O)C(=O)CCNC(=O)CO 906994789 TVMBDMFBKNAKIJ-UHFFFAOYSA-N 294.351 0.629 10 10 CCCE CO[C@@H]1CS(=O)(=O)C[C@H]1N(C)CCc1ccc(N)cc1 696856185 MLLHRYBHHNTHJG-ZIAGYGMSSA-N 298.408 0.555 10 10 CCCE Nc1ccc(OCC(=O)N[C@@H]2C[C@H]3NCC[C@H]32)cc1 1876440223 SQLRNZGAUBJJAY-JHJVBQTASA-N 261.325 0.514 10 10 CCCE CN(C(=O)CCc1ccc(N)cc1)[C@@H]1[C@@H]2CNC[C@@H]21 1876447337 SOGJDPFLDMXWBS-AGGWBTHJSA-N 259.353 0.878 10 10 CCCE O=C(N[C@@H]1CNC[C@@H]1C(F)F)c1ccc(O)c(O)c1 1878726328 PSKUJMIYQMCBBO-JGVFFNPUSA-N 272.251 0.681 10 10 CCCE C[C@H](O)c1cc(F)c(N2C[C@@H](O)[C@H](CO)C2)c(F)c1 1880480106 SSTCFMDOMSPQQG-QOSJWCAFSA-N 273.279 0.808 10 10 CCCE O=C(NCc1cccc(O)c1O)[C@@H]1CCS(=O)(=O)C1 1153792600 UVHXUETZJYOWKA-SECBINFHSA-N 285.321 0.149 10 10 CCCE COC(=O)c1c(O)ccc2c1[C@H]1OC(=O)C[C@H]1O2 82312345 JKOMTGRFQYPQJT-HQJQHLMTSA-N 250.206 0.928 10 10 CCCE Cc1ccc(O)c([C@H](N)C(=O)NCCN(C)C)c1 83385198 LSBLTRHMAJOICP-LBPRGKRZSA-N 251.330 0.378 10 10 CCCE CCNC(=O)[C@H](N)c1c(O)cc(OC)cc1OC 83398418 QCNPNQOWVSZVHK-LLVKDONJSA-N 254.286 0.545 10 10 CCCE CCOC(=O)CNC(=O)[C@H](N)c1ccc(C)cc1O 83483780 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C[C@H](C(=O)NCc1cc(O)ccc1O)N1C(=O)CCC1=O 1637122442 HGBGQLSNRYRNLU-MRVPVSSYSA-N 292.291 0.252 10 10 CCCE CS(C)(=O)=NCCNC(=O)/C=C/c1ccc(O)c(O)c1 1638901519 PODVYDJUIDBWIM-GQCTYLIASA-N 298.364 0.955 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCN(S(=O)(=O)N2CCC2)C1 1912187915 MWKFHMZWDQDBSM-VIFPVBQESA-N 259.335 0.959 10 10 CCCE COC(=O)[C@@](C)(NCCN=[N+]=[N-])[C@@H]1CCS(=O)(=O)C1 1912196321 UMGWLYQHYJDSKF-SCZZXKLOSA-N 290.345 0.253 10 10 CCCE [N-]=[N+]=NC1CN(C(=O)[C@@H]2CCCCS2(=O)=O)C1 1912186083 ZKZBDSFVFVELCV-QMMMGPOBSA-N 258.303 0.475 10 10 CCCE CCCO[C@@H]1CS(=O)(=O)C[C@H]1N1CC(N=[N+]=[N-])C1 1912208440 SLPHHEDJHJAGQB-NXEZZACHSA-N 274.346 0.573 10 10 CCCE O=C(NCCN1C[C@@H]2C[C@H]2C1)c1cccc(O)c1O 1965249823 KLQLCZUCMIKNET-UWVGGRQHSA-N 262.309 0.779 10 10 CCCE CC[C@H]1SC(=S)N(CCCC(=O)NCCO)C1=O 11636383 PESMITZLUTUMPG-MRVPVSSYSA-N 290.410 0.514 10 10 CCCE CNC(=O)COc1cccn(Cc2ccc(N)cc2)c1=O 36223811 ATOWQKUPSWRJOD-UHFFFAOYSA-N 287.319 0.604 10 10 CCCE CC1(C)C[C@@H](O)[C@@H](O)CN1c1ccc(CN)cc1F 2132115217 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CN(C)c1ccc(CN2CC[C@](N)(C(=O)O)C2)cc1 229198982 PWPPUGBALXEPAE-CQSZACIVSA-N 263.341 0.740 10 10 CCCE COc1cc(N(C)CC(N)=O)ccc1CNC1CC1 2139701811 XLWISBHUAKESPE-UHFFFAOYSA-N 263.341 0.869 10 10 CCCE CN1C[C@H](O)[C@@H](NCc2c(O)cccc2Cl)C1 1942692950 KLQBKEMXHDNOPC-JQWIXIFHSA-N 256.733 0.810 10 10 CCCE CN(Cc1ccc(N)cc1)c1ncnc2c1nnn2C 2146872117 KUETZMPIKPOCRK-UHFFFAOYSA-N 269.312 0.977 10 10 CCCE NC1CC(S(=O)(=O)NCc2ccccc2O)C1 1945610723 ZIYXCPGNEHDZTR-UHFFFAOYSA-N 256.327 0.301 10 10 CCCE COC(=O)[C@H](N)CCc1cc(O)c(O)c(OC)c1 1951525741 WVQSHXNQZFIFNA-MRVPVSSYSA-N 255.270 0.539 10 10 CCCE O=C(O)[C@@H]1CCN[C@@H](c2cc(O)c(O)c(O)c2)C1 1952452043 FNLUFRTYRBQNEV-HTRCEHHLSA-N 253.254 0.929 10 10 CCCE CO[C@H](C(=O)O)C1(c2cc(O)c(O)c(O)c2)CC1 1952743718 NRSLGNHRVLXHJV-SNVBAGLBSA-N 254.238 0.935 10 10 CCCE Nc1ccc(CC(=O)N2CC(=O)N[C@H]3CC[C@H]32)cc1 1972884531 YJMKOLFORYUGCF-NWDGAFQWSA-N 259.309 0.301 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3CC[C@H](CO)C3)ccc21 162023629 FDPZEGNCTRXXNV-ZANVPECISA-N 261.325 0.718 10 10 CCCE CN(C(=O)COc1ccc(N)cc1)[C@H]1CCS(=O)(=O)C1 38055380 CTCOTKHKSZAYCS-NSHDSACASA-N 298.364 0.293 10 10 CCCE CN1C[C@H](O)[C@@H](NCc2ccc3c(c2)CCCN3C)C1 2146512607 CYCBVMINTYMANL-HOCLYGCPSA-N 275.396 0.834 10 10 CCCE C[C@H](NC(=O)c1cc(O)nc(O)c1)[C@@H]1CCNC1 2026902030 SHMUBFLJSYULSP-JGVFFNPUSA-N 251.286 0.221 10 10 CCCE Nc1ccc(O)c(CN2CCCC2(CO)CO)c1 2029371786 UMUJBHUSTQJNPI-UHFFFAOYSA-N 252.314 0.294 10 10 CCCE C[C@@H](CS(N)(=O)=O)NCc1ccc2c(c1)CCO2 2035446801 QCLURJPFUVEFCQ-VIFPVBQESA-N 270.354 0.388 10 10 CCCE OCC[C@H](CO)NCc1cc(Br)ccc1O 309583663 RHPZKKAGCXCAHR-SNVBAGLBSA-N 290.157 0.988 10 10 CCCE C[C@H](N)c1ccc(N2CCN3C[C@H](O)C[C@@H]3C2)cc1 405320458 RFFUEQWOFQHDET-NILFDRSVSA-N 261.369 0.962 10 10 CCCE Oc1cc2c(cc1CN[C@@H]1CO[C@H]3COC[C@@H]13)OCO2 2158072606 LFIZTPSLQQJZGI-RBZYPMLTSA-N 279.292 0.624 10 10 CCCE O=C(NC[C@@H]1C[C@@H]2CC[C@H](C1)N2)c1cc(O)nc(O)c1 2159688390 QBRBHELGJCJYKM-GUDFOSOFSA-N 277.324 0.753 10 10 CCCE O=C(O)[C@H](F)CC1CN(C(=O)c2ccc(O)c(O)c2)C1 2178480240 JJKQFPCSHUNNSD-SECBINFHSA-N 283.255 0.983 10 10 CCCE C[C@H](O)c1ccc(N(C)[C@@H]2COC[C@@H]2O)cc1O 708712785 JXGXIQIUWPBSMZ-KDDOJWQBSA-N 253.298 0.641 10 10 CCCE CN(C[C@H](O)C1CC1)S(=O)(=O)Cc1ccc(N)cc1 690327068 MLEFVSDYFCXRKT-ZDUSSCGKSA-N 284.381 0.801 10 10 CCCE Nc1ccc(CCC(=O)NC2CS(=O)(=O)C2)cc1 379927693 SYPPIAGYZGIVTL-UHFFFAOYSA-N 268.338 0.115 10 10 CCCE CCNCc1ccc(N2CC(O)(C(=O)OC)C2)cc1C 714463042 UWCLACWCISCXNF-UHFFFAOYSA-N 278.352 0.829 10 10 CCCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)[C@H]2CCCS2(=O)=O)C1 694662878 HTUYABZOPYAVMX-RKDXNWHRSA-N 272.330 0.865 10 10 CCCE C[C@H](CNC(=O)Nc1ccc(N)cc1)S(C)(=O)=O 697638547 PJWABMJFRXXKTQ-MRVPVSSYSA-N 271.342 0.823 10 10 CCCE Cn1nnnc1CNC(=O)CCc1ccc(N)cc1 389303308 JXUXCZHTIFWYRH-UHFFFAOYSA-N 260.301 0.041 10 10 CCCE NC(=O)[C@H]1CCC[C@@H]1NC(=O)COc1ccc(N)cc1 2174099810 FZAIYGQAFPAIEE-RYUDHWBXSA-N 277.324 0.418 10 10 CCCE CC(C)C1(O)CN(c2ccc3c(c2)N(C)C(=O)[C@H]3N)C1 395026749 UUTKCBZLOBMZJZ-ZDUSSCGKSA-N 275.352 0.870 10 10 CCCE C[C@@H](O)[C@@H]1CN(c2ccc(CO)cc2[N+](=O)[O-])CCO1 2174152641 NJIBHCWOIUUOKK-RNCFNFMXSA-N 282.296 0.673 10 10 CCCE Oc1ccc(CNC[C@@H]2C[C@H]3C[C@H]2[C@@H](O)[C@@H]3O)cc1O 2174417067 REQPIFRZXXLNKN-ABNINFQISA-N 279.336 0.565 10 10 CCCE Nc1ccc(NC(=O)NC[C@]2(O)CCOC2)cc1 2071567388 UOKSXZVMIMPPQO-GFCCVEGCSA-N 251.286 0.542 10 10 CCCE CCOc1cccc(CNC2CN(C3COC3)C2)c1O 2171160873 PXNDRFGZIVRQKY-UHFFFAOYSA-N 278.352 0.964 10 10 CCCE O=C1Nc2cc(N3C[C@H]4C[C@H]3C[C@H]4O)c(F)cc2[C@H]1O 2172057147 YYCWPWWTVZPWCT-NDHFTHCPSA-N 278.283 0.771 10 10 CCCE CN(C(=O)CN1C[C@@H]2CCO[C@@H]2C1)c1ccc(N)cc1 2172043243 BQESQJLYWONTJS-SMDDNHRTSA-N 275.352 0.952 10 10 CCCE CN1CCO[C@@H]2CCN(Cc3cc(N)ccc3O)C[C@H]21 2185597565 SHFUXTBXLYHKGC-UKRRQHHQSA-N 277.368 0.879 10 10 CCCE CN[C@H](C)[C@@H]1CCN1C(=O)c1cccc(O)c1O 2045173878 DVQBPUIWLCVUIK-SCZZXKLOSA-N 250.298 0.920 10 10 CCCE COc1ccc(CNC[C@](C)(O)CCO)c(O)c1 2045304924 KGVJCBYIIXPEES-CYBMUJFWSA-N 255.314 0.624 10 10 CCCE COCC1(CN(CC(N)=O)Cc2ccc(N)cc2)CC1 2195202355 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N=c1nc(O)c2nc(-c3cc(O)c(O)c(O)c3)[nH]c2[nH]1 2188912279 JFSHXDXAOHAYFP-UHFFFAOYSA-N 275.224 0.255 10 10 CCCE C[C@H](C(=O)O)N1CCN(Cc2ccc(N)cc2)CC1=O 2197623324 QKZZOVMLZVLBLL-SNVBAGLBSA-N 277.324 0.386 10 10 CCCE C[C@@H](c1ccc(O)cc1O)N1CCC[C@](O)(CN)C1 2101320962 BZYWOTGMZPHLKQ-HZMBPMFUSA-N 266.341 0.944 10 10 CCCE CCOC(=O)[C@@]1(NCCCN=[N+]=[N-])CCNC(=O)C1 2103919113 WJWQESMDEACCRC-LLVKDONJSA-N 269.305 0.488 10 10 CCCE COc1cc(N2CC[C@@H](C(N)=O)C2)ccc1CO 2084015450 FRNNTDVZHTTZDU-SECBINFHSA-N 250.298 0.499 10 10 CCCE Cc1cc(N2C[C@H]3COC[C@@H](C2)C3O)ccc1CN 2111487629 FTPNIKBVYARTEC-NNQSOWQGSA-N 262.353 0.897 10 10 CCCE O=C([C@@H]1CNc2ccccc2N1)N1C[C@H](O)[C@@H](F)C1 2092767642 IJMJEULLLHMKIZ-UWJYBYFXSA-N 265.288 0.434 10 10 CCCE NC(=O)[C@H]1C[C@@H](N)CN(Cc2ccc(Cl)cc2O)C1 2094660743 YTJQXIPCFZLQGM-GXSJLCMTSA-N 283.759 0.680 10 10 CCCE Nc1ccc(CC(=O)N[C@H]2CO[C@]3(CCNC3)C2)cc1 2201735559 MOVBYDZHXURRHN-UKRRQHHQSA-N 275.352 0.449 10 10 CCCE Cc1cccc(CNC(=O)[C@@H](N)Cc2ncns2)c1O 2204610873 QTAXIYJGSCWPNZ-JTQLQIEISA-N 292.364 0.738 10 10 CCCE CS(=O)(=O)[C@H]1COC[C@H]1NC(=O)Nc1ccc(N)cc1 2207462351 VNNOCLKEVMGKJW-MNOVXSKESA-N 299.352 0.202 10 10 CCCE CCN[C@@H](COc1ccc(N(C)C)cc1)C(N)=O 2221874442 PPVCEJHVWIFURY-LBPRGKRZSA-N 251.330 0.595 10 10 CCCE CN1[C@@H](C(=O)O)CC[C@@H]1C(=O)NCCCCN=[N+]=[N-] 2225795859 RDOIONKAAYPVLD-RKDXNWHRSA-N 269.305 0.741 10 10 CCCE COc1ccc(N2CCN(C)C[C@@H]2CCO)c(CO)c1 2235963081 NWHNEPKRYVSLII-ZDUSSCGKSA-N 280.368 0.690 10 10 CCCE COCCOCCOCC(=O)NCC1(CN=[N+]=[N-])CC1 2236044131 NLVYYXWUJWSJOM-UHFFFAOYSA-N 286.332 0.873 10 10 CCCE Nc1ccc(CN2C[C@H]3[C@H](C2)[C@H]2C[C@H]3[C@H](O)[C@@H]2O)cc1 2237071917 VINKMJIAVFSEEG-SJJUBHFPSA-N 274.364 0.688 10 10 CCCE COc1ccc(N2C[C@@H]3[C@H](C(N)=O)[C@@H]3C2)c(C=O)c1 2227694627 IZOAHBHVNLOGET-PTEHBNRSSA-N 260.293 0.675 10 10 CCCE CO[C@@H]1CCN[C@@H](C)[C@@H]1NC(=O)c1cccc(O)c1O 2238452460 QABRCRUAKIUPGK-AXTRIDKLSA-N 280.324 0.593 10 10 CCCE OCCNCc1cc(Br)c(O)cc1O 2241489213 BIWMHKYFSUQGDX-UHFFFAOYSA-N 262.103 0.942 10 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NCc1cc(F)c(N2CCS(=O)(=O)CC2)c(F)c1 62711043 NACVZTSHOLWNBQ-UHFFFAOYSA-N 276.308 0.658 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC[C@H](CCO)C1 124110185 LFFSMQWOQJNQGS-MRVPVSSYSA-N 252.270 0.337 10 10 CCCE O=C(N[C@@H]1CCCNCC1)c1cccc(O)c1O 226454095 JPBQJNZOMRTELD-SECBINFHSA-N 250.298 0.970 10 10 CCCE CN(C(=O)Cn1ccn(C)c1=O)c1ccc(N)cc1 148638608 HYYCDOIRRXMNCY-UHFFFAOYSA-N 260.297 0.432 10 10 CCCE COC[C@](C)(CCO)NCc1cc2c(cc1O)OCO2 267374803 QUPILCVIYQMBRJ-AWEZNQCLSA-N 283.324 0.998 10 10 CCCE NCc1ccc(N2CCS(=O)(=O)CC2)c(F)c1F 236225322 UXUVYXOCHBLRSW-UHFFFAOYSA-N 276.308 0.658 10 10 CCCE CNC1(CNCc2cnc(SC)s2)COC1 2243843731 FWQFHDHGYPCHKG-UHFFFAOYSA-N 259.400 0.943 10 10 CCCE CN1CCCc2cc([C@@H](Cn3cnnn3)NN)ccc21 2163159004 VLUASJSKCLWCFX-GFCCVEGCSA-N 273.344 0.260 10 10 CCCE Cn1[nH]c([C@H]2CCCN2C(=O)c2cc(O)cs2)nc1=N 847182945 VCYUNGRYSFKKFP-MRVPVSSYSA-N 293.352 0.972 10 10 CCCE CC(=O)C(=O)COC(=O)CCCn1nc(C)cc1C 924278978 KFFKORDJEWKCSO-UHFFFAOYSA-N 266.297 0.981 10 10 CCCE NCc1cc(F)c(N2C[C@@H](O)C[C@H]2CO)c(F)c1 698183713 VHPYQQWFYLGCNK-IUCAKERBSA-N 258.268 0.355 10 10 CCCE O=C(CN1CCCNC1=O)N1Cc2cccc(O)c2C1 871198256 DZZPSAWLWGEVHQ-UHFFFAOYSA-N 275.308 0.650 10 10 CCCE Nc1ccc(OCCC(=O)N[C@@H]2COC[C@@H]2F)cc1 1876139509 JWLSBURUQKRMTI-NWDGAFQWSA-N 268.288 0.891 10 10 CCCE Nc1ccc(NC(=O)N2C[C@H](O)CC23CNC3)cc1 1876161102 BOMGUHCJZXPOGZ-LLVKDONJSA-N 262.313 0.209 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3CC([N+](=O)[O-])C3)ccc21 1876137357 QGYXBHLRFLWMKW-NSHDSACASA-N 262.269 0.365 10 10 CCCE Nc1ccc(OCC(=O)NC2CC3(C2)C[C@@H]3N)cc1 1876525527 NCSPBVCBYDUTKK-KHJSKFAYSA-N 261.325 0.644 10 10 CCCE O=C1CC[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C(=O)N1 798637526 DXBZAQLDTMXAGD-SZHMKSFOSA-N 291.259 0.459 10 10 CCCE CC[C@@H](CCN)NC(=O)c1cc(OC)nc(OC)c1 1886762681 BAWDWOAOEXCOHM-JTQLQIEISA-N 267.329 0.956 10 10 CCCE CCOc1cccc(CN[C@@H](CO)C(=O)O)c1O 75436203 AOWCRNOBECYKNI-VIFPVBQESA-N 255.270 0.326 10 10 CCCE COc1cccc([C@@H](N)c2nnc(CC(=O)O)o2)c1O 83588142 MVEPIWMOGRTYBI-SNVBAGLBSA-N 279.252 0.459 10 10 CCCE COc1ccc(N2CCCNC(=O)C2)cc1C(=O)O 84630756 BNKAYKHVFJOPQG-UHFFFAOYSA-N 264.281 0.720 10 10 CCCE CNCc1cc(F)c(N(C)[C@H](C)C(N)=O)c(F)c1 711138679 DMTYMMRHODZIJO-SSDOTTSWSA-N 257.284 0.994 10 10 CCCE CN(C)c1ccc(CN2CCNC[C@H]2C(=O)O)cc1 88658694 DNKVVAINKWLYDE-ZDUSSCGKSA-N 263.341 0.611 10 10 CCCE CCNCc1ccc(N2CC(=O)NC(=O)[C@@H]2C)c(C)c1 97295696 UBVRCTZGFTWNTM-NSHDSACASA-N 275.352 0.956 10 10 CCCE COc1cccc(CN2CC(C3CS(=O)(=O)C3)C2)c1O 1350327381 KJROQIGUHFZUBN-UHFFFAOYSA-N 297.376 0.877 10 10 CCCE CCCN[C@H]1CC[C@H]1NC(=O)c1cc(O)nc(O)c1 2116669031 LQKKWVWFNZLNAN-VHSXEESVSA-N 265.313 0.753 10 10 CCCE C[C@]1(C(=O)NCc2cc(O)ccc2O)CCCS1(=O)=O 1455354928 PWWDTIPPYBFZTH-CYBMUJFWSA-N 299.348 0.681 10 10 CCCE O=C(NCc1c(O)cccc1O)c1cnc2n1CCOC2 1456319030 NGICPERPMOIZOE-UHFFFAOYSA-N 289.291 0.755 10 10 CCCE COc1ccc(N2CCCNC[C@H]2CO)c(OC)c1 217179686 WXFLPESHXGFEHQ-NSHDSACASA-N 266.341 0.864 10 10 CCCE COc1cccc(CNC(=O)c2cc(O)ncn2)c1O 1622779417 PKCMQOBDYYBGAM-UHFFFAOYSA-N 275.264 0.826 10 10 CCCE CN1CCC[C@](O)(CC(=O)NCc2cc(O)ccc2O)C1 1633598797 AXQVXEJUZHQJQA-HNNXBMFYSA-N 294.351 0.561 10 10 CCCE C[C@@H]1C(=O)NC(=O)CN1c1ccc(C=CC(=O)O)cc1 1912056418 TVLUOABDCFOHBH-SECBINFHSA-N 274.276 0.636 10 10 CCCE CN(CC(=O)N1CC(N=[N+]=[N-])C1)C(=O)c1ccco1 1912153711 ISKAWRVZVTVVCY-UHFFFAOYSA-N 263.257 0.873 10 10 CCCE [N-]=[N+]=NCCCNC1(C(N)=O)CC([C@H]2CCOC2)C1 1912172927 IMVNYOFMXTWRTH-BMQDGWLCSA-N 267.333 0.947 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1912204949 ZJCUBAOSUJKIEX-YUMQZZPRSA-N 280.288 0.133 10 10 CCCE COC(=O)[C@H](C)CS(=O)(=O)Nc1ccc(O)cc1N 2127136843 LGFBURRUTNGGOY-SSDOTTSWSA-N 288.325 0.525 10 10 CCCE O=C(NCCN1C[C@H]2C[C@@H]2C1)c1cccc(O)c1O 1965249822 KLQLCZUCMIKNET-NXEZZACHSA-N 262.309 0.779 10 10 CCCE NC(=O)[C@H]1CCCN1CC(=O)Nc1ccc(N)cc1 20294431 POOQBOOCECKZTC-LLVKDONJSA-N 262.313 0.157 10 10 CCCE OCCN1CCN(c2ccc3c(c2)CC[C@@H]3O)CC1 2128318733 NAWASZKQBGRAJP-HNNXBMFYSA-N 262.353 0.781 10 10 CCCE NC(=O)N[C@H]1CCN(c2ccc3c(c2)CC[C@H]3N)C1 2128309564 UZUDCFKDLPCBBJ-GXFFZTMASA-N 260.341 0.880 10 10 CCCE CN1CCN[C@@H](CNCc2ccc3c(c2)CCO3)C1 258910217 LZYAYSZDZRKMSW-AWEZNQCLSA-N 261.369 0.615 10 10 CCCE CO[C@@H]1C[C@@H](NC(=O)c2ccc(O)c(O)c2)C[C@@H]1N 2130798407 CARWMSMZMWJLTG-HOTUBEGUSA-N 266.297 0.332 10 10 CCCE NC[C@@H]1CC[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)C1 2132409996 JONGIPWYMHTYDK-VXNVDRBHSA-N 266.297 0.661 10 10 CCCE CO[C@H]1CC[C@@H]1CNC(=O)c1cc(O)c(O)c(O)c1 2132413064 JRNAIYUXJJYESD-HQJQHLMTSA-N 267.281 0.958 10 10 CCCE CC[C@@H]1C(=O)NCCN1CC(=O)c1ccc(O)c(O)c1 110681365 FBWVJXIAENDAFG-SNVBAGLBSA-N 278.308 0.491 10 10 CCCE CN(c1cc2c(cc1Cl)[C@H](O)C(=O)N2)[C@@H]1CCNC1=O 1916800012 JBCWXYNPUOMSOV-KOLCDFICSA-N 295.726 0.650 10 10 CCCE Cc1ccc(CN2CC[C@](CO)(C(=O)O)C2)c(O)c1 2139765070 HHFTZSPSMSRJNG-AWEZNQCLSA-N 265.309 0.970 10 10 CCCE N[C@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)C12CCC2 2136745831 QHJDVHGYYHQCKR-JTQLQIEISA-N 264.281 0.509 10 10 CCCE CC(C)NCC(=O)NCCc1ccc(O)c(O)c1 1968739601 TURRDIBIWJGNGQ-UHFFFAOYSA-N 252.314 0.755 10 10 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COc1cc2c(cc1OC)N(C[C@@H]1CC(=O)N1)CC2 1884679141 PCPZMHPGEUJLHA-JTQLQIEISA-N 262.309 0.955 10 10 CCCE O=C1CN(Cc2cc(F)cc(F)c2O)[C@@H](C(=O)O)CN1 1963614220 GGHQVKSMBWZRQH-SECBINFHSA-N 286.234 0.055 10 10 CCCE CCN(CC)c1ccc([C@@H](N)C(=O)NCCO)cc1 83482338 BAGUDOIZRVDALF-CYBMUJFWSA-N 265.357 0.641 10 10 CCCE CNCc1nnc([C@H](N)c2cc([N+](=O)[O-])ccc2O)o1 83588233 JQXPLBOOBIQPNR-SNVBAGLBSA-N 279.256 0.451 10 10 CCCE Nc1ccc(OCCNS(=O)(=O)c2c[nH]cn2)cc1 70415316 CDSROHOBARDWSZ-UHFFFAOYSA-N 282.325 0.349 10 10 CCCE CCc1cccc(CN[C@H]2CCO[C@H]2C(N)=O)c1O 2117464371 YADRIGKLRVIVSO-WCQYABFASA-N 264.325 0.687 10 10 CCCE CCOc1ccc(N2CCN(C)C(=O)[C@H]2CN)cc1 216992895 VWNXAIPMRMDFAE-CYBMUJFWSA-N 263.341 0.691 10 10 CCCE CN(C)C(=O)CCCNC(=O)Cc1ccc(O)c(O)c1 1464467746 XBEANXWKXITKTO-UHFFFAOYSA-N 280.324 0.625 10 10 CCCE COC[C@@H](NC(=O)c1ccc(C)c(O)c1O)c1nn[nH]n1 1471845855 PKSYUHWYKRMDRO-MRVPVSSYSA-N 293.283 0.037 10 10 CCCE Nc1ccc(OC[C@H](O)CN2O[C@H]3C=C[C@H]2C3)cc1 1907657288 ZONGZQPNBFVKQL-SCRDCRAPSA-N 262.309 0.953 10 10 CCCE O=C(N[C@@H]1CCNC12CCC2)c1cc(O)nc(O)c1 2120797346 YRUMWJLARCXMOE-SECBINFHSA-N 263.297 0.507 10 10 CCCE COc1ccc2c(c1)NC(=O)C[C@H]1CS(=O)(=O)CCN21 213644714 YVQMFTKACDOJFM-VIFPVBQESA-N 296.348 0.641 10 10 CCCE CN(CCOc1ccc(N)cc1)Cc1ncn(C)n1 2121854994 HAEFMXARQOQZOQ-UHFFFAOYSA-N 261.329 0.908 10 10 CCCE C[C@@H]1CN(Cc2cc(N)ccc2O)C[C@H](CCO)O1 2122796787 CABCOZLMDPREJH-MFKMUULPSA-N 266.341 0.946 10 10 CCCE C[C@H](NCC(CO)(CO)CO)c1cc(F)ccc1O 2123219761 IYVYUFQSZJCHRU-VIFPVBQESA-N 273.304 0.145 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NCc1nc(C2CC2)n[nH]1 1637497016 FCQZJGPVXBLMLK-UHFFFAOYSA-N 288.307 0.952 10 10 CCCE Cn1nnc(NC(=O)/C=C/c2ccc(O)c(O)c2)n1 1645815235 KMPMAUQRHVCYTL-HWKANZROSA-N 261.241 0.273 10 10 CCCE [N-]=[N+]=NCCCN1CCN(CCOCCO)CC1 1912150361 RZLQRVJZASAUAV-UHFFFAOYSA-N 257.338 0.313 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCN1S(=O)(=O)N1CC[C@H](O)C1 1912184797 HYNTZSIJCFZYPI-IUCAKERBSA-N 275.334 0.073 10 10 CCCE [N-]=[N+]=N[C@H]1CCN(C(=O)Cc2cc(O)nc(O)n2)C1 1912163151 GDGCREOOFGFZTP-LURJTMIESA-N 264.245 0.342 10 10 CCCE Cc1cc(=NC(=O)CN2CC[C@H](CN=[N+]=[N-])C2)[nH]o1 1912185062 LMHVKSYIZVMYFK-SECBINFHSA-N 264.289 0.976 10 10 CCCE COC(=O)[C@@H](NCCCN=[N+]=[N-])[C@@]1(OC)CCOC1 1912145648 JTYNBXIXYQUIDF-MWLCHTKSSA-N 272.305 0.624 10 10 CCCE [N-]=[N+]=N[C@H]1CCN(C(=O)[C@H]2CCCCS2(=O)=O)C1 1912192605 HZTKIYKJVSCDGZ-DTWKUNHWSA-N 272.330 0.865 10 10 CCCE Cn1[nH]cnc1=NC(=O)c1ccc(N=NC(N)=O)cc1 1597042722 SJVUFAZDQNVLIR-UHFFFAOYSA-N 273.256 0.652 10 10 CCCE O=C(c1cccc(O)c1O)N1CCNC(=O)C(F)(F)C1 1965337444 ROIHEASFXBZXCT-UHFFFAOYSA-N 286.234 0.305 10 10 CCCE Cn1cc(CCNCc2cc(F)ccc2O)nn1 1965926717 ARVIMCBRUDBEMB-UHFFFAOYSA-N 250.277 0.992 10 10 CCCE CN1CCc2cc(CNC(=O)c3cn(C)nn3)ccc21 169815213 UNLSPAUNLVHNCT-UHFFFAOYSA-N 271.324 0.737 10 10 CCCE C[C@@]1(CO)C[C@@H](O)CN1c1ccc2c(c1)CC[C@@H]2N 2128329127 WHDVJOBLPZJHSS-SNPRPXQTSA-N 262.353 0.955 10 10 CCCE OC[C@@H]1CN(c2ccc3c(c2)CC[C@H]3O)CC[C@@H]1O 2128315270 PYFKAXSCEHWNSF-TUKIKUTGSA-N 263.337 0.846 10 10 CCCE CCNCc1cc(F)c(N2CCOC[C@@H]2C(N)=O)c(F)c1 159019292 XRDJOUSLYWGZOZ-GFCCVEGCSA-N 299.321 0.765 10 10 CCCE C[C@@H]1[C@@H](O)CCCN1C(=O)c1cc(O)c(O)c(O)c1 2132348596 OSEQPECLISOJAD-APPZFPTMSA-N 267.281 0.789 10 10 CCCE CC(C)(CN)CCNC(=O)c1cc(O)c(O)c(O)c1 2132414545 XZFJNVQHFYUUBB-UHFFFAOYSA-N 268.313 0.908 10 10 CCCE CNC(=O)[C@H](C)N(C)c1cc2c(cc1F)[C@@H](O)C(=O)N2 1916786161 DIOUYPBTAXJFEJ-UPONEAKYSA-N 281.287 0.382 10 10 CCCE O=C(CCCNCc1ccc(O)c(O)c1O)NC1CC1 226754982 WTYIRCCZPNSKSF-UHFFFAOYSA-N 280.324 0.952 10 10 CCCE Nc1snnc1C(=O)NCCc1ccc(O)c(O)c1 1923502358 DYZVAFOJEWBFMR-UHFFFAOYSA-N 280.309 0.504 10 10 CCCE CC(C)[C@@H](O)CNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 125025245 UZGYSOYBCIUJBC-GWCFXTLKSA-N 282.340 0.101 10 10 CCCE CCS(=O)(=O)N(C)CC(=O)Nc1ccc(N)cc1 237016629 NZMIOTLKDVLBHY-UHFFFAOYSA-N 271.342 0.489 10 10 CCCE COC(=O)c1cc([C@H](N)Cc2ccc(O)c(O)c2)[nH]n1 1951943142 JSGSWEZWTXFMHG-MRVPVSSYSA-N 277.280 0.850 10 10 CCCE C[C@H](C(=O)O)C1CN(C(=O)Cc2ccc(O)c(O)c2)C1 2144029387 IKWXHSFKLQGMBW-QMMMGPOBSA-N 279.292 0.819 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H](CC(F)F)C(=O)O 2144019371 NGRCWYITVBJRAS-ZETCQYMHSA-N 289.234 0.865 10 10 CCCE OCc1ccc(N2CC(O)(CO)C2)c(Br)c1 1981170199 MFOBRNUZVSHGEL-UHFFFAOYSA-N 288.141 0.485 10 10 CCCE CN1CCN(CCNCc2ccc(O)cc2O)CC1 37759770 MMNIHZUUMYLTQO-UHFFFAOYSA-N 265.357 0.435 10 10 CCCE C[C@@H](N)c1ccc(N2CC(S(C)(=O)=O)C2)cc1O 2034838882 MVSMZHMLKOQGIX-MRVPVSSYSA-N 270.354 0.645 10 10 CCCE O=C1C[C@@H](NCc2cc(F)cc(F)c2O)C(=O)N1 2034959837 VBXUCEZMKSHYBY-MRVPVSSYSA-N 256.208 0.175 10 10 CCCE O=C1COc2cc([N+](=O)[O-])c(N3CCOCC3)cc2N1 301584699 ASSKZEDHMMXKDK-UHFFFAOYSA-N 279.252 0.762 10 10 CCCE CN(C)c1ccc(CNC(=O)[C@H]2[C@H]3CN[C@H]2C3)cc1 400416070 VJILGBNKZZIZDY-XBFCOCLRSA-N 259.353 0.977 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC[C@@H](c2ncc[nH]2)C1 404345811 VJANWZBECPXMDQ-MRVPVSSYSA-N 274.280 0.846 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)[C@]12CCNC[C@H]1C2 2161334259 IQWTUVCHDINJPB-ABAIWWIYSA-N 276.336 0.756 10 10 CCCE CN(c1ccc(CN)c(C(F)(F)F)c1)C(CO)CO 311766432 VNWWLBSRTLEBLR-UHFFFAOYSA-N 278.274 0.954 10 10 CCCE C[C@H](O)C[C@@H]1CCCN1C(=O)c1cc(O)nc(O)c1 311718682 UFYIWBOIWQAASB-WPRPVWTQSA-N 266.297 0.868 10 10 CCCE NCc1cn(C2CN(c3ccc4c(c3)CCO4)C2)nn1 2162670487 ACBNEVJMNMWCDB-UHFFFAOYSA-N 271.324 0.733 10 10 CCCE C[C@H](c1cc(O)ccc1O)N1CCO[C@@H]2CNC[C@@H]21 686532248 AUZSUTQZDXWXGG-LJWDBELGSA-N 264.325 0.831 10 10 CCCE NC(=O)[C@H]1CCC[C@@H]1NC(=O)CCc1ccc(N)cc1 2174100712 OSHZCBKACFUQQW-STQMWFEESA-N 275.352 0.972 10 10 CCCE Nc1ccc(NC(=O)CN2C[C@@H]3[C@@H](C2=O)C3(F)F)cc1 715703952 SDCUPPDAFFVZKG-KOLCDFICSA-N 281.262 0.931 10 10 CCCE O=C(N[C@H]1CCCN(CCO)C1)c1ccc(O)c(O)c1 384414373 RIAWMCABXROCPP-NSHDSACASA-N 280.324 0.284 10 10 CCCE C[C@@H](NC(=O)c1ccc(O)c(O)c1)C1(CO)CC1 696020898 KQXJQEUGABNVKG-MRVPVSSYSA-N 251.282 0.989 10 10 CCCE CCNCc1ccc(N2CC(=O)N[C@H](C)C2)c(C#N)c1 387038059 RERYJMGJQKSXFN-LLVKDONJSA-N 272.352 0.992 10 10 CCCE CC1(C)CN(C(=O)COc2ccc(N)cc2)C[C@@H]1O 387625802 XGVAMWUHVJKTSL-LBPRGKRZSA-N 264.325 0.877 10 10 CCCE O=C(O)C[C@@H]1CN(C(=O)c2ccc(O)c(O)c2)C[C@@H]1O 2174357479 BQXDPZWYIWMPOA-KCJUWKMLSA-N 281.264 0.005 10 10 CCCE COC1CN(S(=O)(=O)CCOc2ccc(N)cc2)C1 387913958 AEPHVUXGLHRKLP-UHFFFAOYSA-N 286.353 0.308 10 10 CCCE Nc1ccc(CC(=O)N2CC[C@@H]3[C@@H](C2)[C@@H]3C(=O)O)cc1 721711674 LSSXWBGPSHZFQK-YRGRVCCFSA-N 274.320 0.990 10 10 CCCE Nc1ccc(NC(=O)COCCN2CCOCC2)cc1 2175867201 ATYAGVXJRZEXBZ-UHFFFAOYSA-N 279.340 0.556 10 10 CCCE CN1CCN(CC(=O)Nc2ccc(N)cc2)[C@@H]2CC[C@@H]21 2168370660 IDIIBEOCSVMLGX-UONOGXRCSA-N 274.368 0.986 10 10 CCCE Nc1ccc(OCCCN2C[C@H]3NC(=O)O[C@@H]3C2)cc1 2176925714 BRORLOBEAPNQIP-CHWSQXEVSA-N 277.324 0.830 10 10 CCCE Cc1cc(N2CC(=O)N3CCOC[C@H]3C2)ccc1CN 2185856289 UYUQHGRSCNVUAT-CQSZACIVSA-N 275.352 0.501 10 10 CCCE CN(CCCN)C(=O)c1ccn(-c2ccc(N)cc2)n1 2191679761 OVBVRNUPCCUAML-UHFFFAOYSA-N 273.340 0.875 10 10 CCCE CN1C[C@H]2C[C@H]1CN2c1cc2c(cc1F)[C@H](O)C(=O)N2 2187612437 HUUGVAKGXYRTIQ-DAROEXNTSA-N 277.299 0.704 10 10 CCCE C[C@@H]1[C@H](O)CN1c1cc2c(cc1F)[C@H](O)C(=O)N2 2062254400 JIEICBHPTWAVRO-ORCOQGSOSA-N 252.245 0.381 10 10 CCCE COc1ccc(N2CC(n3cc(CN)nn3)C2)cc1 2106388599 HOADGMKXOMQZRY-UHFFFAOYSA-N 259.313 0.807 10 10 CCCE Nc1ccc(CC(=O)N[C@@H]2COC[C@H]2CC(=O)O)cc1 2187936448 KECUBKUVYKGJHJ-ZYHUDNBSSA-N 278.308 0.417 10 10 CCCE C[C@H]1[C@@H](N)CCN1C(=O)c1cc(O)c(O)c(O)c1 2068625324 XLRXTCWNSVONAL-XPUUQOCRSA-N 252.270 0.365 10 10 CCCE C[C@@H]1[C@@H](N)CCN1S(=O)(=O)Cc1ccc(N)cc1 2071568597 OYNFSYFATOUHKT-SKDRFNHKSA-N 269.370 0.520 10 10 CCCE O=C(O)CCN(C(=O)c1cc(O)c(O)c(O)c1)C1CC1 2188868180 NFAFQOADVUGCLQ-UHFFFAOYSA-N 281.264 0.883 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CCC2(CC(O)C2)C1 2188868144 MUNVGAVYSGIDGX-UHFFFAOYSA-N 279.292 0.790 10 10 CCCE O=C(O)CN(CC1CC1)C(=O)c1cc(O)c(O)c(O)c1 2188868482 RVWBQHWEEZNORO-UHFFFAOYSA-N 281.264 0.740 10 10 CCCE CN[C@@H](C)[C@H](NC(=O)c1cc(O)c(O)c(O)c1)C1CC1 2188916295 OHPYCKIGFFMQJC-MADCSZMMSA-N 280.324 0.920 10 10 CCCE NCC[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)C(F)(F)F 2188918267 CPPAVUAJSUGGQQ-MRVPVSSYSA-N 294.229 0.813 10 10 CCCE C[C@@H]1CNCC[C@H](NC(=O)c2cc(O)c(O)c(O)c2)C1 2188917006 UKNMFVJPNXBIBS-WPRPVWTQSA-N 280.324 0.921 10 10 CCCE O=C(NC[C@@H]1C=CCN1)c1cc(O)c(O)c(O)c1 2078291151 FSLCAOKJVPXLPN-QMMMGPOBSA-N 250.254 0.061 10 10 CCCE C[C@@]1(CNCc2cccc(O)c2O)CCNC1=O 2080462815 XZMBBIUEQNDSCP-ZDUSSCGKSA-N 250.298 0.714 10 10 CCCE NC(=O)C1[C@H]2CN(c3ccc(CO)cc3F)C[C@H]12 2081418747 OPSSCALXLSSPTI-IUCAKERBSA-N 250.273 0.486 10 10 CCCE CS[C@@H]1COC[C@@H]1NC(=O)c1ccc(O)c(O)c1 2086379606 YIFPXHDUXRFPNK-GZMMTYOYSA-N 269.322 0.958 10 10 CCCE CCn1cc(S(=O)(=O)Nc2ccc(O)c(F)c2)nn1 2088135124 QCCYBHHULRALLA-UHFFFAOYSA-N 286.288 0.944 10 10 CCCE COC(=O)c1cccc(N)c1N[C@@H]1C[C@H](O)C[C@H]1O 2108837165 IRYBSVIJPKDEDU-WHGOUJPWSA-N 266.297 0.352 10 10 CCCE CC[C@@H]1C[C@H](N)CN1C(=O)Cc1ccc(O)c(O)c1 2088876126 ZEMIROVOEUPHTL-WDEREUQCSA-N 264.325 0.979 10 10 CCCE O=C(NCCN1CCOC1=O)c1ccc(O)c(O)c1 2090618197 BBTHKXAOVULADX-UHFFFAOYSA-N 266.253 0.280 10 10 CCCE Nc1ccc(OCCN2C[C@@H]3OCCO[C@H]3C2)cc1 2093344864 JOBHMGABMQBEHF-KBPBESRZSA-N 264.325 0.747 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3CC[C@@]3(C)CO)cc21 2097237367 JVMZQZWQPRIJJT-OCCSQVGLSA-N 261.325 0.624 10 10 CCCE CC(C)N(CCOCC(N)=O)Cc1ccc(N)cc1 2232297997 SGYWHOOUVSGTCP-UHFFFAOYSA-N 265.357 0.981 10 10 CCCE Cc1cc([C@H](C)O)ccc1N1C[C@@H](O)[C@H](CO)C1 2223970707 CYFBOEZIJDFVPQ-VHRBIJSZSA-N 251.326 0.838 10 10 CCCE CCNCc1ccc(N2C[C@H](O)[C@H](O)[C@H]2COC)cc1 2234071597 WCDSAJSLLNZOQE-QLFBSQMISA-N 280.368 0.353 10 10 CCCE N=c1nnc(Nc2ccc(-n3cncn3)cc2)n[nH]1 2226137504 SGYKQYPTWFLBFG-UHFFFAOYSA-N 255.245 0.003 10 10 CCCE COCC(COC)ONCc1ccc(O)c(O)c1 2256207192 ZDLHWOVDWJAUCX-UHFFFAOYSA-N 257.286 0.780 10 10 CCCE CSc1ncc(CN[C@@H]2CS(=O)(=O)C[C@@H]2O)s1 2248652626 OZGWDUBJTUBGLY-SFYZADRCSA-N 294.423 0.113 10 10 CCCE CC(C)N1C(=O)C(=CNCCCN(C)C)C(=O)NC1=S 2296145137 VXJPJSGXTPNMQA-UHFFFAOYSA-N 298.412 0.063 10 10 CCCE CNCc1cc(OC)ccc1N1CC[C@@H](O)[C@H](O)CC1 2284536546 GFGGTLRXVCQEEX-HUUCEWRRSA-N 280.368 0.737 10 10 CCCE O=C1Nc2cc(N3CC[C@@H]3[C@@H](O)CO)c(Cl)cc2[C@H]1O 2286225634 KASKCUCYVYVDGD-ADEWGFFLSA-N 298.726 0.257 10 10 CCCE COc1cccc(C=C2C(=O)NC(=O)N(C)C2=O)c1O 2297592750 NMVPWBWWZDDQCZ-UHFFFAOYSA-N 276.248 0.492 10 10 CCCE COc1cc(Cl)c(N2CC(O)(CN)C2)c(OC)c1 2319560936 SSGWJFMPQSDTIN-UHFFFAOYSA-N 272.732 0.867 10 10 CCCE C[C@@](CN)(NCc1ccc2c(c1)CCO2)C(=O)O 2324687996 JTIGTSJOTBKGCR-ZDUSSCGKSA-N 250.298 0.513 10 10 CCCE O=C(NC[C@H]1C[C@@H]2CC[C@H]1N2)c1cc(O)nc(O)c1 2330513195 ZZFLMJONNLIQIC-KXUCPTDWSA-N 263.297 0.363 10 10 CCCE C[C@@H](O)c1ccc(N2CC[C@@](C)(O)[C@@H](O)C2)cc1O 2332522511 OFFFMGVPZLAWNI-BIGNPOOSSA-N 267.325 0.768 10 10 CCCE COc1cccc(O)c1CNN(C)S(=O)(=O)C1CC1 2339723032 QNOUUTYKSQCGHY-UHFFFAOYSA-N 286.353 0.829 10 10 CCCE C[C@H](N=c1cc(C(N)=O)cn[nH]1)c1ccccc1O 2352333220 BVGIEUMIHFVYBO-QMMMGPOBSA-N 258.281 0.876 10 10 CCCE [N-]=[N+]=NCCN[C@@]1(C(=O)O)CC(=O)N2CCCC[C@@H]21 305935176 FSGMMKQGVWAVCY-KCJUWKMLSA-N 267.289 0.495 10 10 CCCE C[C@H](NC(=O)[C@H]1CO[C@@H]2CNC[C@@H]21)c1ccccc1O 2357204799 STTGZRRXXORILH-WSXWTOPLSA-N 276.336 0.804 10 10 CCCE N[C@H]1CCC[C@@H]1CNC(=O)c1cccc(O)c1O 126832382 OURAWFLZLKHPQR-SCZZXKLOSA-N 250.298 0.955 10 10 CCCE CN(C)c1ccc(/C=C2\CC(=O)N(CC(=O)O)C2=O)cc1 74521588 FIDCQJOCOZSDSC-YRNVUSSQSA-N 288.303 0.980 10 10 CCCE Nc1ncncc1C(=O)NCCc1ccc(O)c(O)c1 185461034 NAWLDVCSRJZGKB-UHFFFAOYSA-N 274.280 0.443 10 10 CCCE CN(C)C(=O)COC(=O)c1ccn(-c2ccc(N)cc2)n1 41102171 AGTSVDLKGXDYEV-UHFFFAOYSA-N 288.307 0.700 10 10 CCCE COC1(OC)CN(c2ccc(OCC(=O)O)cc2)C1 93971956 PMDALQJBRDSDAW-UHFFFAOYSA-N 267.281 0.959 10 10 CCCE CC(=O)C(=O)COC(=O)c1cccc2c1oc(=O)n2C 808531879 ZNZOQAPSDPYCHT-UHFFFAOYSA-N 277.232 0.446 10 10 CCCE CN[C@@H](c1ccc(N(C)C)cc1)[C@H](O)c1ncnn1C 2163129713 ABNMTPRUPPAZOQ-STQMWFEESA-N 275.356 0.875 10 10 CCCE Nc1ccc(NC(=O)CN2CCN3CCC2CC3)cc1 722801120 ZIVCYAQVFABZJJ-UHFFFAOYSA-N 274.368 0.987 10 10 CCCE O=C1C[C@H](CCNC(=O)N2Cc3cccc(O)c3C2)CN1 926996879 XFOUZRKQABVJAU-JTQLQIEISA-N 289.335 0.944 10 10 CCCE C[C@H](COC(=O)c1cccc(O)c1O)CS(C)(=O)=O 758560693 JIDWXVJNJOYTIY-MRVPVSSYSA-N 288.321 0.935 10 10 CCCE CO[C@H]1CNC[C@@H]1NC(=O)CCc1ccc(N)cc1 1876491109 JWEDLRNFARBKSD-STQMWFEESA-N 263.341 0.304 10 10 CCCE COc1cc(C)cc(CN(C)C2CS(=O)(=O)C2)c1O 895399273 MULKFZTXFLPSLA-UHFFFAOYSA-N 285.365 0.938 10 10 CCCE O=C(N[C@@H]1CCOC[C@@H]1CO)c1cccc(O)c1O 1878694838 BAYQRSNENUCUKF-WCBMZHEXSA-N 267.281 0.225 10 10 CCCE CCOC(=O)CN(C)C(=O)c1cc(O)c(O)c(O)c1 170190539 PXRJPCGKNNZWIH-UHFFFAOYSA-N 269.253 0.439 10 10 CCCE C[C@@H]1COC[C@H]1NC(=O)Cc1ccc(O)c(O)c1 1156324095 GKYISCONSQYSEZ-PSASIEDQSA-N 251.282 0.791 10 10 CCCE C[C@H](c1ccc(O)cc1O)N1CCN(C)[C@H](C(=O)O)C1 686105280 TZSCZTKTSNYXGX-SKDRFNHKSA-N 280.324 0.859 10 10 CCCE Cn1cnnc1CN1CCN(c2ccc(N)cc2)CC1 689487248 HYZJYOJRXJSBGJ-UHFFFAOYSA-N 272.356 0.720 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1C=CCC1 698296049 VGYRMLKGLOYPIT-MNOVXSKESA-N 262.309 0.802 10 10 CCCE C[C@]1(C(=O)O)COC[C@@H]1NC(=O)Cc1ccc(N)cc1 90572477 POCLFOPTZVANSX-FZMZJTMJSA-N 278.308 0.417 10 10 CCCE O=C(C[C@H]1CCNC1=O)NCc1c(O)cccc1O 1472063100 CIBSAMCDQRYAES-MRVPVSSYSA-N 264.281 0.240 10 10 CCCE Cn1nc([N+](=O)[O-])nc1OCCc1ccc(N)cc1 2119786788 LWTVBDMNZIZIAA-UHFFFAOYSA-N 263.257 0.927 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N3CC=C[C@@H]3CO)ccc21 2119815660 MLJINZURIQJJSQ-ZWNOBZJWSA-N 259.309 0.636 10 10 CCCE COc1cccc(O)c1CNCc1cc(CO)n[nH]1 2120116384 YLBCBLFCNQUOTE-UHFFFAOYSA-N 263.297 0.906 10 10 CCCE COc1ccc2c(c1)S(=O)(=O)[C@@H](C)CN2CC(=O)O 211110633 GRQCTRHDDCPBBU-QMMMGPOBSA-N 285.321 0.762 10 10 CCCE CC(=O)N1C[C@@H](CN)[C@H](c2cccc(O)c2O)C1 1614633357 FUSAUHZEJWJXOY-MWLCHTKSSA-N 250.298 0.618 10 10 CCCE Cc1c(C(=O)NCc2c(O)cccc2O)nnn1C 1652626156 QVSPQGWGCCKVJG-UHFFFAOYSA-N 262.269 0.465 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCN(C(=O)[C@H]2CCS(=O)(=O)C2)C1 1912202826 MPFXZAOVLYQARX-UWVGGRQHSA-N 286.357 0.970 10 10 CCCE C[C@H](O)c1ccc(N2C[C@@H]3C[C@H](C2)[C@H](O)[C@@H]3O)cc1 2126155875 KJSVHLAIHWRAEX-LOISDPQCSA-N 263.337 0.918 10 10 CCCE C[C@@]1(CNC(=O)c2cccc(O)c2O)COCCO1 1965249853 KULMGWTXPXZIHI-CYBMUJFWSA-N 267.281 0.633 10 10 CCCE CC1(O)CCN(c2ccc3c(c2)NC(=O)[C@@H]3N)CC1 168541116 MXMVDAQJUBQCHA-GFCCVEGCSA-N 261.325 0.990 10 10 CCCE NC(=O)NC1CN(c2ccc3c(c2)CCC[C@@H]3O)C1 2128272304 ROHQPTRMLPUBSL-ZDUSSCGKSA-N 261.325 0.913 10 10 CCCE O=C(NCC1(O)CCCC1)c1cc(O)c(O)c(O)c1 2132351431 XHWZBFHZFUZVCO-UHFFFAOYSA-N 267.281 0.838 10 10 CCCE CCS(=O)(=O)N(C)Nc1nc2c(s1)CNC2 1901344683 USEJGQTWZOCCAG-UHFFFAOYSA-N 262.360 0.355 10 10 CCCE O=C1CC[C@@H](NC(=O)c2ccc(O)c(O)c2)CN1 226987189 WHRQHUAAXJLHOH-MRVPVSSYSA-N 250.254 0.106 10 10 CCCE Nc1ccc(CNC(=O)[C@H]2CCCS(=O)(=O)C2)cc1 1968569612 BRSIYQQHEGKUFO-NSHDSACASA-N 282.365 0.710 10 10 CCCE N[C@@H]1CCc2cc(N3CC[C@@H](O)C[C@H]3CO)ccc21 2136080026 INNUALSWWDMOIG-GZBFAFLISA-N 262.353 0.955 10 10 CCCE C[C@H](NC[C@H]1CCS(=O)(=O)N1)c1cc(F)ccc1O 1967530718 LAWLRRBDLTWMCH-WCBMZHEXSA-N 288.344 0.874 10 10 CCCE COC[C@H](C)OC[C@@H](O)CN(C)c1ccc(CN)cc1 1967635845 QFAVECZUIHHKHX-WFASDCNBSA-N 282.384 0.994 10 10 CCCE CN(C[C@@H]1CCS(=O)(=O)N1C)c1ccc(CN)cc1 1967636233 SSVPXGNUIAUWDD-ZDUSSCGKSA-N 283.397 0.615 10 10 CCCE C[C@@H](NCCS(=O)(=O)N(C)C)c1cc(O)ccc1O 230992888 DQBCKQSGTVWBRH-SECBINFHSA-N 288.369 0.640 10 10 CCCE Cc1cccc(CNCC2(C(=O)O)CN(C)C2)c1O 2139756934 BIKDKCFMLLYWMB-UHFFFAOYSA-N 264.325 0.807 10 10 CCCE Cn1cnc(C(=O)NCCOc2ccc(N)cc2)c1 236097857 KOTXWXFVDGOUFM-UHFFFAOYSA-N 260.297 0.811 10 10 CCCE CNS(=O)(=O)[C@H]1CCN(c2ccc(N)cc2)C1 2004006796 PXVSQVSWILDXIJ-NSHDSACASA-N 255.343 0.397 10 10 CCCE O=C1NC(=O)N(CCc2ccc(O)c(O)c2)C(=O)[C@H]1F 2148008298 OLVZFMCIVJGWIS-VIFPVBQESA-N 282.227 0.057 10 10 CCCE Nc1ccc(NCCNS(=O)(=O)C(F)F)cc1 1997240429 QTYXFZHGOZAAIF-UHFFFAOYSA-N 265.285 0.823 10 10 CCCE COc1ccc(O)c([C@@H](C)NN2CCNCC2)c1 2028917324 AGXYIKSUJGYOOB-SNVBAGLBSA-N 251.330 0.872 10 10 CCCE Nc1ccc(CCCN2CC[C@@](O)(CO)C2)cc1 2030159270 YQYKWAJNBVZBBJ-AWEZNQCLSA-N 250.342 0.631 10 10 CCCE CCN(c1ccc(N)cc1)S(=O)(=O)[C@@H](C)C(=O)OC 63114404 IVIMTSZLIIRIOE-VIFPVBQESA-N 286.353 0.986 10 10 CCCE C[C@H](N)c1ccc(N(C)CCOCCO)cc1O 310666161 CZLFSYSQKAEBCH-JTQLQIEISA-N 254.330 0.857 10 10 CCCE NC[C@]12CCC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 312742314 VMMABFZRXSMUGG-YGRLFVJLSA-N 277.324 0.694 10 10 CCCE Nc1ccc(O)c(CNC(=O)[C@@H]2CO[C@@H]3COC[C@H]32)c1 2158076126 REUBEYZPCQKFSK-DMDPSCGWSA-N 278.308 0.252 10 10 CCCE CO[C@@H]1CN(C(=O)c2ccc(O)c(O)c2)[C@H]2COC[C@H]12 2158352533 HJNJRRLIESOFIS-OUJBWJOFSA-N 279.292 0.584 10 10 CCCE CN1CCc2cc(CN3C[C@H](N)[C@@H]4COC[C@@H]43)ccc21 2158356270 DOAJLTCSXRCKOH-DZKIICNBSA-N 273.380 0.837 10 10 CCCE COc1cccc(O)c1[C@H](C(N)=O)N1CCCNCC1 2160725964 XXGBRBOPTIBDIN-CYBMUJFWSA-N 279.340 0.223 10 10 CCCE CS(=O)(=O)CCC[C@H](O)Cc1ccc(N)cc1 702742983 DWGYISYVANOBGC-LBPRGKRZSA-N 257.355 0.997 10 10 CCCE Nc1ccc(CC(=O)N2CC3CC2(C(=O)O)C3)cc1 709866194 SYMSKCDDGLEDMK-UHFFFAOYSA-N 260.293 0.887 10 10 CCCE CNCc1ccc(N2CCC(O)(C(N)=O)CC2)c(C)c1 380396799 PGXYVMMCWCLKFM-UHFFFAOYSA-N 277.368 0.531 10 10 CCCE COCCN1CC[C@](NCCN=[N+]=[N-])(C(=O)OC)C1 380942700 BNWKJKFAEDDVJP-LLVKDONJSA-N 271.321 0.150 10 10 CCCE Cc1nc(CCNC(=O)Cc2ccc(N)cc2)n[nH]1 392319122 KUZQODYAVBPUMI-UHFFFAOYSA-N 259.313 0.597 10 10 CCCE CC(=O)C(=O)COC(=O)[C@@H](C)NC(=O)OC(C)(C)C 808493424 DCVDBRNAFXQQCS-SSDOTTSWSA-N 273.285 0.601 10 10 CCCE CN(CCOc1ccc(N)cc1)CC[S@](C)=O 399239778 IJLQHTGCRJFDCY-KRWDZBQOSA-N 256.371 0.958 10 10 CCCE C[C@@H](N)c1ccc(N2CC[C@@]3(CNC(=O)N3)C2)cc1O 2177692375 VYLMPYZQPPAKQT-YMTOWFKASA-N 276.340 0.674 10 10 CCCE CO[C@@H]1C[C@@H](O)CN(CC(=O)c2ccc(O)c(O)c2)C1 2165326551 MVQXNKHGIYOWOQ-GHMZBOCLSA-N 281.308 0.362 10 10 CCCE O=C(O)C[C@H]1CN(C(=O)c2cccc(O)c2O)C[C@H]1O 2174360737 VXQUPHLACFDUCB-OIBJUYFYSA-N 281.264 0.005 10 10 CCCE CN1CCc2cc([C@H](N)C3[C@@H]4CS(=O)(=O)C[C@@H]34)ccc21 2174573865 PQPWHDVDKFKDGE-JMSVASOKSA-N 292.404 0.969 10 10 CCCE CS(=O)(=O)c1cnn(Cc2ccc([N+](=O)[O-])cc2O)c1 2070206566 TULIGQPRAVSQFV-UHFFFAOYSA-N 297.292 0.949 10 10 CCCE N[C@H]1CC[C@H](C(=O)O)N(C(=O)c2cccc(O)c2O)C1 2188783705 VYCJROQAVYLDRM-IONNQARKSA-N 280.280 0.114 10 10 CCCE N=C(NO)[C@@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)C1 2188919480 NHJKHPDGSCDUQT-ZCFIWIBFSA-N 281.268 0.222 10 10 CCCE CC[C@H]1CCNC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2188926151 XPGDJEXIKUZVGK-WPRPVWTQSA-N 280.324 0.921 10 10 CCCE Nc1ccc(OC[C@H](O)COCCn2cncn2)cc1 2184448989 ZTHIVDIROFFDSA-GFCCVEGCSA-N 278.312 0.317 10 10 CCCE NC(=O)[C@H]1OCC[C@H]1NCc1cccc(Cl)c1O 2053789710 RRPWCRYJXDQDNX-KOLCDFICSA-N 270.716 0.778 10 10 CCCE O=C(NC[C@@H]1OCC[C@H]1F)c1cccc(O)c1O 2058667915 KWSDHJQOIAWMAZ-SCZZXKLOSA-N 255.245 0.955 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN1CC(=O)N1CCNC1=O 2059059266 PMFLACSCSYWPCE-MRVPVSSYSA-N 252.278 0.313 10 10 CCCE O=C1C[C@@H](NC(=O)[C@@H]2CNc3ccccc3N2)CCN1 2186331613 WWLZMKKQHHCKCL-CABZTGNLSA-N 274.324 0.287 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CCC[C@@H]3NCC[C@H]32)cc1 2191766205 TUWZEFMLJBVBKA-UONOGXRCSA-N 295.408 0.925 10 10 CCCE NC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)Nc1ccc(N)cc1 2192285297 CVIQDJJAKZGVTG-QWRGUYRKSA-N 275.312 0.638 10 10 CCCE O=C(NCc1ccccc1O)[C@@H]1C[C@@H]2NCCO[C@@H]2C1 2199856657 UHARMIYKOWWETN-MBNYWOFBSA-N 276.336 0.775 10 10 CCCE N[C@H]1CN(C(=O)c2cccc(O)c2O)C[C@@H]1C(F)F 2102479635 NJUIGDPQZCHLSC-YUMQZZPRSA-N 272.251 0.762 10 10 CCCE COc1cc(N(C)[C@H](C)CC(N)=O)ccc1CO 2084016726 LMLGBBSEQJFGLU-SECBINFHSA-N 252.314 0.888 10 10 CCCE CNCc1ccc(N2C[C@H](O)[C@@H](F)C2)cc1OC 2084017720 VDNNHJFBKHHXDM-RYUDHWBXSA-N 254.305 0.934 10 10 CCCE Cn1[nH]c(CNCc2ccc(F)cc2O)cc1=O 2084167363 ZVQRMKJGCIYFDV-UHFFFAOYSA-N 251.261 0.848 10 10 CCCE [N-]=[N+]=N[C@H]1CCCN(S(=O)(=O)N2CCC[C@H]2CO)C1 2105535841 DNQKNCSFTGOVQG-UWVGGRQHSA-N 289.361 0.463 10 10 CCCE CN1CCCc2cc([C@@H](NN)c3cnn[nH]3)ccc21 2106823194 MYHXWXQYKTWQHB-CYBMUJFWSA-N 258.329 0.740 10 10 CCCE NCCCOCCNC(=O)Cc1ccc(O)c(O)c1 2087726932 LZXQKLZGMYYZGM-UHFFFAOYSA-N 268.313 0.122 10 10 CCCE Cc1nc[nH]c1S(=O)(=O)NCc1cc(N)ccc1O 2093399093 VKUAOWBNUNOMAR-UHFFFAOYSA-N 282.325 0.484 10 10 CCCE Nc1ccc(OC[C@@H](O)CN2CC(CCO)C2)cc1 2095987513 BXCNYOHGGIMAAQ-ZDUSSCGKSA-N 266.341 0.323 10 10 CCCE NC(=O)C1[C@@H]2CN(CCCOc3ccc(N)cc3)C[C@@H]12 2201309577 VSRLIDYUQNCJJF-CHWSQXEVSA-N 275.352 0.701 10 10 CCCE CNCc1nc(NC(=O)c2cccc(O)c2O)n[nH]1 2113107068 RVQPYHYBWYGHKC-UHFFFAOYSA-N 263.257 0.188 10 10 CCCE C[C@@H](O)c1ccc(N(C)[C@@H]2CC(=O)NC2=O)cc1O 2114726885 KQTFMYOWOUJQIS-GMSGAONNSA-N 264.281 0.297 10 10 CCCE C[C@H](O)c1ccc(N2C[C@@H]3OC(=O)N[C@@H]3C2)cc1O 2120418141 XPFYYCLSXSEYGC-KOLSJAJHSA-N 264.281 0.743 10 10 CCCE COC(=O)CCS(=O)(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-] 2218740194 IIOTWZFAXHAGAZ-HTQZYQBOSA-N 276.318 0.700 10 10 CCCE COc1ccc(N2CC[C@@H](O)[C@H](O)C2)cc1OC 2219640437 HCPSFDWRMBDJLI-GHMZBOCLSA-N 253.298 0.636 10 10 CCCE COc1ccc(N2CC[C@H](O)[C@@H](O)C2)c(C=O)c1 2220426206 KODBPLPDMVXPOK-STQMWFEESA-N 251.282 0.440 10 10 CCCE CN(C)c1ccc(O[C@H]2CS(=O)(=O)C[C@@H]2O)cc1 2221880989 BQJDZEPBJDKOAF-RYUDHWBXSA-N 271.338 0.289 10 10 CCCE C[C@@H]1C[C@@H](O)[C@@H](C)N(C(=O)c2cc(O)nc(O)c2)C1 2227623429 YMUAMBHCRJUSDG-NQMVMOMDSA-N 266.297 0.724 10 10 CCCE CSc1ncc(CNC(=O)C[C@@H]2CNC[C@@H]2O)s1 2256939729 IDWQDCWMADRRDH-APPZFPTMSA-N 287.410 0.452 10 10 CCCE Cc1cc(N2C[C@@H](O)C[C@H](O)C2)ccc1[C@H](C)N 2257470042 YJUKXLXJNJBPHG-DRZSPHRISA-N 250.342 0.947 10 10 CCCE COC1CC(NC(=O)NCc2cc(N)ccc2O)C1 2265434189 OIXMLZUSJIWNSY-UHFFFAOYSA-N 265.313 0.951 10 10 CCCE C[C@@H](O)c1ccc(N2C[C@@H](O)[C@H](N(C)C)C2)cc1O 2328702708 PHXNJIHDQDGKDF-GAJTVXKRSA-N 266.341 0.557 10 10 CCCE Nc1ccc(CCN2C[C@@H]3C[C@H](O)[C@H](O)[C@@H]2C3)cc1 2330368975 FIPRXQGUYZMFAM-CYUUQNCZSA-N 262.353 0.627 10 10 CCCE NCc1cc(F)c(N2C[C@@H]3C[C@H]2[C@@H](O)[C@@H]3O)cc1Cl 2330800860 IQLGXYNKVSWKSK-KWZQHJIPSA-N 286.734 0.868 10 10 CCCE CN[C@@H](C)c1cc(F)c(N2C[C@@H](O)[C@H](O)C2)c(F)c1 2332372772 PKLJCRWOVBTXDU-UPZJHPNMSA-N 272.295 0.787 10 10 CCCE COc1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CF)cc1OC 2333691696 PEWXYRIUFFGZQT-BREBYQMCSA-N 271.288 0.584 10 10 CCCE CN1CC(COC[C@H](O)COc2ccc(N)cc2)C1 2335383612 YZWSENCVUAKODG-ZDUSSCGKSA-N 266.341 0.587 10 10 CCCE O=S1(=O)CC[C@H](N2CCc3cc(O)c(O)cc3C2)C1 2341214750 OHOOUFNFXWAXMV-NSHDSACASA-N 283.349 0.643 10 10 CCCE NCc1ccc(N2C[C@H](C(N)=O)C3(CC3)C2)cc1F 2344211234 FCPVCMCWJNCOCB-LLVKDONJSA-N 263.316 0.986 10 10 CCCE N[C@H]1C[C@@H]2C[C@H]1C[C@H]2NC(=O)Cc1ccc(O)c(O)c1 2354683709 GKHJVJLVHAUYLN-FIQHERPVSA-N 276.336 0.882 10 10 CCCE Oc1cccc(CNC[C@H]2C[C@@H]3C[C@H]2[C@@H](O)[C@H]3O)c1O 2355456645 IYSLSOUAZQCGHL-VIDBKGRSSA-N 279.336 0.565 10 10 CCCE CN(C)CCN(C)S(=O)(=O)Cc1ccc(N)cc1 104192159 RDJWYKSNGNGRDU-UHFFFAOYSA-N 271.386 0.592 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CCC[C@H](CO)C1 36202768 WOURPBHSCHSWOI-QMMMGPOBSA-N 252.270 0.337 10 10 CCCE CN(C)c1ccc([C@H]2[C@H](C(=O)O)OCC(=O)N2C)cc1 70274368 QKYQNRCHOUAAHS-QWHCGFSZSA-N 278.308 0.736 10 10 CCCE COC(=O)N[C@@H]1CCN(c2ccc3c(c2)NC(=O)[C@@H]3N)C1 228279029 BLUZOMJASNHZDI-PRHODGIISA-N 290.323 0.573 10 10 CCCE COC(=O)[C@H](NC(=O)Cc1ccc(O)c(O)c1)C(C)C 1540701111 RGOTWBJYVRQZRX-CYBMUJFWSA-N 281.308 0.954 10 10 CCCE C[C@H]1CC[C@H](NC(=O)c2cc(O)c(O)c(O)c2)CN1 1219590210 BGRQBOGSRRFOEL-CBAPKCEASA-N 266.297 0.674 10 10 CCCE COC(=O)c1nonc1N=Nc1nonc1C(=O)OC 254387699 SXDAPMUCWINHKD-UHFFFAOYSA-N 282.172 0.441 10 10 CCCE COc1cc(C)c2c(c1)C(=O)N[C@H](C(=O)O)CN2C 527430788 DNBOKHZAVZTGJB-JTQLQIEISA-N 264.281 0.636 10 10 CCCE CCN1CCc2cc([C@@H](NC)c3nnn(C)n3)ccc21 2163068220 FSVHEYGMXWFJNH-CYBMUJFWSA-N 272.356 0.901 10 10 CCCE C[C@]12CN(C(=O)Cc3ccc(O)c(O)c3)C[C@@]1(CO)C2 2165481620 MWGZNYREHATOCP-LSDHHAIUSA-N 277.320 0.871 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N(C)CC(N)=O)c(Cl)cc21 723171269 OCZDEWQQPKUQCS-NSHDSACASA-N 282.731 0.474 10 10 CCCE CSc1ncc(CNC(=O)C[C@@H](O)CN)s1 2243773506 OOVYXAQYLQQDKQ-ZCFIWIBFSA-N 261.372 0.191 10 10 CCCE O=[S@@]1C[C@@H]2C[C@H]1CN2Cc1cc2c(cc1O)OC[C@H]2O 844747873 DGFVVFIBWHULBZ-JFRAMCACSA-N 295.360 0.523 10 10 CCCE O=C1CN(Cc2ccccc2O)C(=O)N1[C@@H]1[C@H]2COC[C@H]21 925320548 YMLVBMSCVVFSCP-YABSGUDNSA-N 288.303 0.801 10 10 CCCE Nc1ccc(NC(=O)N2C[C@H](N)[C@H]3COC[C@@H]32)cc1 1876153562 VHIRPPRXQFUWRZ-WOPDTQHZSA-N 262.313 0.459 10 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C[C@@H]1OCC[C@@H]1CNC(=O)c1cc(O)c(O)c(O)c1 2132351665 ZBDYGCRXSYNCKJ-JGVFFNPUSA-N 267.281 0.958 10 10 CCCE C[C@H](NC(=O)c1cc(O)c(O)c(O)c1)C1(CN)CC1 2132414153 ULYNNBWJZUTCHZ-ZETCQYMHSA-N 266.297 0.661 10 10 CCCE O=C(O)[C@@H]1[C@@H](O)[C@H](O)CN1Cc1c(O)cccc1Cl 2136102226 NLAVONNGECLMEU-VWYCJHECSA-N 287.699 0.036 10 10 CCCE COc1cc(N2CCCS(=O)(=O)CC2)ccc1CN 2139697464 VLXOZAJYJPCLGO-UHFFFAOYSA-N 284.381 0.779 10 10 CCCE C[C@@H]1CCN(c2cc3c(cc2N)OCC(=O)N3)[C@@H]1CO 226905470 SIBYHQQCVQDUKT-PRHODGIISA-N 277.324 0.807 10 10 CCCE O=C([C@@H]1CNc2ccccc2N1)N1CCOC[C@@H]1CO 229885414 QAWSHIXNYRXWMO-GWCFXTLKSA-N 277.324 0.112 10 10 CCCE O=[N+]([O-])c1ccc(N2CCn3cnnc3C2)cc1CO 236520471 UZHJOCIWSAFUME-UHFFFAOYSA-N 275.268 0.699 10 10 CCCE CN(C)Cc1cc([C@@H]2OCCNC2=O)ccc1O 1952357720 WYTOXPUBKYEQDD-LBPRGKRZSA-N 250.298 0.641 10 10 CCCE C[C@H](N)[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CCO1 1971670232 PJCIMNQGZFDZOV-TVQRCGJNSA-N 280.324 0.215 10 10 CCCE COc1cccc(O)c1CN[C@@H]1C[C@H]2C[C@H]1[C@@H](O)[C@H]2O 1974157577 NNWNBWRHLQTDQT-HVBVWTFJSA-N 279.336 0.621 10 10 CCCE CN(C)c1ccc(CN2C[C@@H](C(N)=O)C[C@@H](N)C2)cc1 2151042141 RYARVAPLUWKBCN-QWHCGFSZSA-N 276.384 0.387 10 10 CCCE O=C([C@@H]1CNc2ccccc2N1)N1CC[C@@H](O)[C@@H](F)C1 2144570921 IHJQPOLLMGGQRI-TVYUQYBPSA-N 279.315 0.824 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CCCOC12CNC2 2144665829 ACQKVGURWWRGNQ-UHFFFAOYSA-N 278.308 0.189 10 10 CCCE NC(=O)C1CCN(CCOc2ccc(N)cc2)CC1 36671433 ZNABPGXUZLRFLF-UHFFFAOYSA-N 263.341 0.845 10 10 CCCE CCCNC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)C1 2145830849 LJKZBHQVDZLJIZ-JTQLQIEISA-N 279.340 0.955 10 10 CCCE C[C@@H](C(=O)Nc1ccc(N)cc1)N1C[C@@H]2[C@@H](CO)[C@@H]2C1 2146870577 FSDMSERQYQQXJT-OLRMPSLUSA-N 275.352 0.766 10 10 CCCE N[C@H](CCCCNC(=O)c1ccc(O)c(O)c1)C(=O)O 2151561334 KLGNIVLIIFLIGH-SECBINFHSA-N 282.296 0.410 10 10 CCCE COCC(C)(COC)NC(=O)COc1ccc(N)cc1 2152448873 BFRFVJFJXBWQHK-UHFFFAOYSA-N 282.340 0.815 10 10 CCCE Cc1cccc(N)c1N[C@H]1CS(=O)(=O)C[C@H]1O 2008562515 SHLIOKXOHIYFRP-VHSXEESVSA-N 256.327 0.147 10 10 CCCE C[C@H](N)c1ccc(N2C[C@@H]3OCCN(C)[C@H]3C2)cc1O 2153996315 ULMCOVGSPHBJFN-XEGUGMAKSA-N 277.368 0.931 10 10 CCCE Nc1ccc(CNCc2nnc(CO)s2)cc1 2017515431 SUWGQHSLCPBXFL-UHFFFAOYSA-N 250.327 0.902 10 10 CCCE C[C@@H](O)CN(CC(=O)c1ccc(O)c(O)c1)C[C@@H](C)O 2159716308 OZQSOAQQZPUMTA-NXEZZACHSA-N 283.324 0.344 10 10 CCCE O=C(N[C@@H]1CC[C@H](CO)C1)c1cccc(O)c1O 2029532836 FEKDLHOQEUIYPK-DTWKUNHWSA-N 251.282 0.989 10 10 CCCE CN[C@@H](c1ccccc1O)[C@@]1(O)CCS(=O)(=O)C1 2031163039 WZYCVGNGNNIJCO-NWDGAFQWSA-N 271.338 0.202 10 10 CCCE CC1([C@@H](CN)NC(=O)c2cccc(O)c2O)CC1 2033111521 HCWFXVYBGDOSQH-SNVBAGLBSA-N 250.298 0.955 10 10 CCCE COc1ccc(N2CCC[C@](O)(CN)C2)c([N+](=O)[O-])c1 2157530521 WZICHOXBLXAODG-ZDUSSCGKSA-N 281.312 0.893 10 10 CCCE O=C(O)[C@@H]1C[C@H](O)CN(C(=O)c2cccc(O)c2O)C1 401962041 XSHWCNFKODOXDN-SFYZADRCSA-N 281.264 0.005 10 10 CCCE [N-]=[N+]=NCCCN[C@@]1(C(=O)O)CC(=O)N2CCCC[C@H]21 312355103 GCHYVANVEMGLQX-CABZTGNLSA-N 281.316 0.885 10 10 CCCE CO[C@H]1C[C@@H](CO)N(C(=O)COc2ccc(N)cc2)C1 312528172 PLOFMTUCVQLIQN-AAEUAGOBSA-N 280.324 0.256 10 10 CCCE Nc1ccc(CC(=O)NC[C@@]2(CO)CCCOC2)cc1 700890296 JQIPSCZDKWTIFF-OAHLLOKOSA-N 278.352 0.717 10 10 CCCE C[C@@]1(CO)CC(F)(F)CN1C(=O)c1cc(O)nc(O)c1 2159027647 UYGPVBKHOMWEIB-NSHDSACASA-N 288.250 0.725 10 10 CCCE CNC1CN(S(=O)(=O)N(C)[C@@H](C)c2ccccc2O)C1 2159008040 KKQAYLFKHFNPIJ-JTQLQIEISA-N 299.396 0.533 10 10 CCCE CN(C[C@H](O)C1CC1)C(=O)COc1ccc(N)cc1 690142090 BMNMOLGKTFRRTP-ZDUSSCGKSA-N 264.325 0.877 10 10 CCCE CN(C)C(=O)C[S@](=O)CC(=O)N(C)c1ccc(N)cc1 379887409 ZHDWLAHKDQIEFS-FQEVSTJZSA-N 297.380 0.069 10 10 CCCE O=C(N[C@H]1C[C@H](C(=O)O)C1)c1ccc(O)c(O)c1 693025123 OEYQNVHOKULELE-ZKCHVHJHSA-N 251.238 0.691 10 10 CCCE O=C(NC[C@@H]1CCCCS1(=O)=O)c1ccc(O)c(O)c1 694393982 DMOBWDUCTDRMID-JTQLQIEISA-N 299.348 0.795 10 10 CCCE [N-]=[N+]=NCCN[C@]1(C(N)=O)CCN2CCC[C@H]1C2 383225307 BNKUIESCOLTBBJ-GXSJLCMTSA-N 252.322 0.226 10 10 CCCE C[C@@H]1CN(S(=O)(=O)Cc2ccc(N)cc2)C[C@H]1O 387725438 USVSWZLTVRAQFA-BXKDBHETSA-N 270.354 0.411 10 10 CCCE CCN(CC)c1ccc(CN[C@H]2CN(C)NC2=O)cc1 393910382 YHPWDVIFDGSBRG-AWEZNQCLSA-N 276.384 0.968 10 10 CCCE C[C@@H](CNCc1cc(Cl)ccc1O)S(N)(=O)=O 398234119 KKBOELHOEREHAG-ZETCQYMHSA-N 278.761 0.812 10 10 CCCE C[C@@H](CCCCO)NC(=O)c1cc(O)nc(O)c1 398539816 VRLNWZOKQVKCJV-QMMMGPOBSA-N 254.286 0.774 10 10 CCCE COC(=O)C1(C)CN(S(=O)(=O)Cc2ccc(N)cc2)C1 2174399617 CETQJODKFRNQBE-UHFFFAOYSA-N 298.364 0.594 10 10 CCCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)C2[C@@H]3CS(=O)(=O)C[C@@H]23)CC1 2174575034 BKCPNDXAVNWZJI-OPRDCNLKSA-N 298.368 0.968 10 10 CCCE COc1cccc(Cn2ncc(S(C)(=O)=O)c2N)c1O 2070217307 MZCHHJIODKJLMR-UHFFFAOYSA-N 297.336 0.631 10 10 CCCE O=C(N[C@@H]1CC12CCNCC2)c1cc(O)c(O)c(O)c1 2188922234 FSIBTWGBQDTXCX-LLVKDONJSA-N 278.308 0.675 10 10 CCCE COCCNC(=O)NCCc1ccc(O)c(O)c1 1186558801 WMUHFDMMSBVZLK-UHFFFAOYSA-N 254.286 0.586 10 10 CCCE COC(=O)[C@@]1(NCCCN=[N+]=[N-])CCCNCC1 2042369832 BMPZDGOBTMJBMO-LLVKDONJSA-N 255.322 0.962 10 10 CCCE CN(C)CCN[C@@H](C(=O)O)c1c(O)cccc1F 2042596510 CLYWZNCSNLUDPX-LLVKDONJSA-N 256.277 0.808 10 10 CCCE CC1(C)C[C@H](NC(=O)c2ccc(O)c(O)c2)[C@H]1O 2043134279 ZUTBSARURJFHKT-GZMMTYOYSA-N 251.282 0.987 10 10 CCCE CN(C[C@]1(O)CCOC1)c1ccc2c(c1)NC(=O)[C@@H]2O 2185949604 DEWZNSJYEPXPAS-TZMCWYRMSA-N 278.308 0.260 10 10 CCCE NC(=O)c1cccc(N)c1N[C@@H]1[C@@H]2C[C@H]3[C@H](CN[C@H]31)C2 2191738423 LGVILAZBBOYENB-WUXDQUIDSA-N 272.352 0.776 10 10 CCCE NC[C@H]1CN(c2cc3c(cc2N)OCCO3)CCCO1 2191897165 MFJCEGKAJOVVGO-JTQLQIEISA-N 279.340 0.594 10 10 CCCE CN(C)S(=O)(=O)c1ncn(CCCCN=[N+]=[N-])n1 2058704390 BOWLYCQAMNXNKL-UHFFFAOYSA-N 273.322 0.619 10 10 CCCE [N-]=[N+]=N[C@@H]1CCCN(S(=O)(=O)c2nc[nH]n2)CC1 2058713337 SQBXYORWFJSFOI-SSDOTTSWSA-N 271.306 0.658 10 10 CCCE CO[C@H]1CCN(C(=O)c2ccc(O)c(O)c2)C[C@@H]1OC 2199547704 XHKZMQWUBKGMHM-STQMWFEESA-N 281.308 0.974 10 10 CCCE C[C@H](N)c1ccc(N2CC[C@@H](O)[C@H](O)C2)c(F)c1 2068368012 AXBVXTPMSQHQIQ-ZEGGKSINSA-N 254.305 0.777 10 10 CCCE CO[C@@H]1C[C@@H]2C[C@@](NCCN=[N+]=[N-])(C(N)=O)C[C@H]21 2070244055 YYKRNCAQXLBGDU-CDLYGTGVSA-N 253.306 0.555 10 10 CCCE O=C(N[C@H]1COC[C@H]1F)c1cc(O)c(O)c(O)c1 2071570108 FTNZBFBNTKAFHF-RQJHMYQMSA-N 257.217 0.270 10 10 CCCE NC(=O)c1cccc(N)c1N[C@@H]1CC(=O)N2CCC[C@H]12 2188504845 SYTFMPIISFIXNP-GHMZBOCLSA-N 274.324 0.543 10 10 CCCE Cn1cc(C[C@](C)(NCCCN=[N+]=[N-])C(N)=O)cn1 2103583418 UCKZANTYKZXBLO-NSHDSACASA-N 265.321 0.497 10 10 CCCE COCCOC[C@H](O)[C@@H](N)c1ccc(N(C)C)cc1 2106853987 XMWCQFDOWPFESA-KBPBESRZSA-N 268.357 0.776 10 10 CCCE CN1[C@@H](CNCc2ccc(O)cc2O)CCS1(=O)=O 2089105917 KRGSRROVCJWITF-SNVBAGLBSA-N 286.353 0.221 10 10 CCCE C[C@@H](NCc1ccc(O)c(O)c1O)C1CS(=O)(=O)C1 2089882110 WANCMZYGGUEUEQ-SSDOTTSWSA-N 287.337 0.326 10 10 CCCE O=C(NCC1(F)CC(CO)C1)c1ccc(O)c(O)c1 2112218740 XVIMAPLFAZPECY-UHFFFAOYSA-N 269.272 0.938 10 10 CCCE CC1CC(NCc2ccc(O)c(O)c2)(C(N)=O)C1 2223863083 LDPXXDYOEUBICY-UHFFFAOYSA-N 250.298 0.841 10 10 CCCE O=C(c1cccc(O)c1O)N1CC[C@H]2[C@H](C[C@H]2O)C1 2224586239 UIHZINMSPHKEHF-VDDIYKPWSA-N 263.293 0.941 10 10 CCCE CNCc1cc(OC)ccc1N(C)CCN(C)CCO 2235963402 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O=C(c1cccc(O)c1O)N1C[C@@H](CO)C2(CC2)C1 2087797879 MLYMJEIKQRUDOH-VIFPVBQESA-N 263.293 0.942 10 10 CCCE C[C@H]1C[C@H]1N(CCO)C(=O)COc1ccc(N)cc1 2110787680 UNCNZVAJNNJVPI-GXFFZTMASA-N 264.325 0.877 10 10 CCCE CN(Cc1ccc(N)cc1)C(=O)C1=NNC(=O)CC1 2092472885 QRRPKZDMTDAEEB-UHFFFAOYSA-N 260.297 0.493 10 10 CCCE CN(C(=O)CN1C[C@H](O)[C@H](F)C1)c1ccc(N)cc1 2092765744 KOCWERSYMZOBMM-NEPJUHHUSA-N 267.304 0.246 10 10 CCCE Nc1ccc(OCC(=O)N[C@@H]2C[C@@H]3OCC[C@H]32)cc1 2095529290 LFEYATHBALWJQQ-XQQFMLRXSA-N 262.309 0.941 10 10 CCCE OCc1ccc(N2CCN(C3COC3)CC2)c(F)c1 2113268998 PCAITEAHZMHNIR-UHFFFAOYSA-N 266.316 0.839 10 10 CCCE O=C(O)[C@H]1C[C@H](O)CN(Cc2cc(F)cc(F)c2O)C1 2201044906 NYTYBHXFEXCFQC-WPRPVWTQSA-N 287.262 0.938 10 10 CCCE CNCc1ccc(N2CCOC[C@@H]2C(N)=O)cc1OC 2204556364 CTGTTWKPQNUMID-GFCCVEGCSA-N 279.340 0.105 10 10 CCCE Cc1cccc(CNC(=O)CN2CCC[C@@H](N)C2)c1O 2204604294 GNXWKDJQPRKUCU-CYBMUJFWSA-N 277.368 0.740 10 10 CCCE Nc1ccc(CC(=O)N2CC[C@H](O)[C@@H](O)CC2)cc1 2269150300 DXKLEMIIRXCLIN-STQMWFEESA-N 264.325 0.156 10 10 CCCE CN(C(=O)[C@@H](N)Cc1ccc(O)c(O)c1)C1(C)COC1 2208284888 FNPYITVSNNQSAC-JTQLQIEISA-N 280.324 0.215 10 10 CCCE OC[C@H]1C[C@H](O)CN1c1ccc2c(c1)OCCO2 2219599673 YFZSUUDSEWGLNC-MNOVXSKESA-N 251.282 0.390 10 10 CCCE CNCc1cc(OC)ccc1N1CC([S@@](C)=O)C1 2220409488 PLKSIDFJVZKNME-GOSISDBHSA-N 268.382 0.982 10 10 CCCE CO[C@@H]1CN(c2ccc([C@@H](C)N)cc2)[C@H](CO)[C@H]1OC 2233353948 NNLNFZILBRWRPU-JUDXGUMMSA-N 280.368 0.917 10 10 CCCE COc1ccc(N2C[C@@H]3C[C@H](C2)[C@H](O)[C@@H]3O)cc1OC 2235121473 UIMBNXPMZZEQNH-FHYCKABGSA-N 279.336 0.882 10 10 CCCE COc1ccc(N(C)CCN2CCOCC2)c(CN)c1 2235964195 RREKKHVRHGNTPF-UHFFFAOYSA-N 279.384 0.922 10 10 CCCE OC[C@H]1CN(c2ccc3c(c2)OCCO3)CC[C@H]1O 2226769788 GDRPKLZFOFIBOI-ZYHUDNBSSA-N 265.309 0.637 10 10 CCCE COc1ccc(N2C[C@H]3C[C@H](O)[C@H](O)C[C@H]3C2)c(N)c1 2236989356 KFNRZJCRYCOJPT-FHYCKABGSA-N 278.352 0.845 10 10 CCCE COc1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CF)c(CO)c1 2227680416 WTKSJFQZWOLCKW-AGIUHOORSA-N 271.288 0.067 10 10 CCCE COc1ccc(N2C[C@H](O)[C@H](O)[C@H]2CF)c(CN)c1 2227685743 JWKFVEPCZVDXQK-FRRDWIJNSA-N 270.304 0.034 10 10 CCCE COc1ccc(N2C[C@H]3C[C@@]2(CO)CO3)c(C=O)c1 2227698012 AEHQPCZKBWKIKP-TZMCWYRMSA-N 263.293 0.848 10 10 CCCE O=C(NC[C@H](F)[C@H]1CCOC1)c1cc(O)c(O)c(O)c1 2238296995 HLUXZALLGYDMOW-CBAPKCEASA-N 285.271 0.908 10 10 CCCE COc1ccc(CN[C@@H]2C[C@@H](O)[C@H]2OC)c(O)c1 2258674384 QLZFBJOZJSVMPM-RTXFEEFZSA-N 253.298 0.639 10 10 CCCE COc1ccc(N2CC(O)(C(F)(F)CO)C2)cc1 2260102683 FGSMQVXAFGACOP-UHFFFAOYSA-N 259.252 0.874 10 10 CCCE C[C@@H](O)c1cc(F)c(N2CC[C@H]2[C@H](O)CO)c(F)c1 2270717300 YBVKNUWYILXKKM-VSYUYLJXSA-N 273.279 0.950 10 10 CCCE O=C(NCc1ccccc1O)[C@@H]1CC[C@H]2CNC[C@@H]2O1 2289413341 ZCQQOENDUQIRKH-UBHSHLNASA-N 276.336 0.775 10 10 CCCE CCN(CCN=[N+]=[N-])C[C@H](O)CN1CCCC1=O 2315992631 OYGDHHUNDCOIOZ-JTQLQIEISA-N 255.322 0.602 10 10 CCCE CN(Nc1nc2c(s1)CNCC2)S(=O)(=O)C1CC1 2317452591 GPPRAVJTCLSMHT-UHFFFAOYSA-N 288.398 0.540 10 10 CCCE CNCc1ccc(N2C[C@@H]3C[C@H]2[C@H](O)[C@H](O)C3)cc1 2330368833 CUUJPEGELQDVBL-BEAPCOKYSA-N 262.353 0.726 10 10 CCCE C[C@@H](c1c(O)cccc1O)N1CCN[C@@H]2COC[C@@H]21 2331870991 FJHXALUNQCCSNB-AXFHLTTASA-N 264.325 0.831 10 10 CCCE C[C@@]1(CNC(=O)c2ccc(O)c(O)c2)CCCN1 235450889 SFCMJPKIOSLTGU-ZDUSSCGKSA-N 250.298 0.970 10 10 CCCE CN(CC(=O)NCc1ccc(N2CCCC2)cc1)C(N)=O 194419495 TUCIMUZHSQPIFA-UHFFFAOYSA-N 290.367 0.914 10 10 CCCE O=C(N=c1[nH][nH]cc1Br)c1cc(O)nc(O)c1 384030871 LKXBDMXNPBGTCL-UHFFFAOYSA-N 299.084 0.653 10 10 CCCE C[C@H](C(=O)Nc1ccc(N)cc1)N1CCCC[C@H]1C(N)=O 251536318 HOXGMDXYYHXQJJ-MFKMUULPSA-N 290.367 0.936 10 10 CCCE COC(=O)[C@H]1CN(C(C)=O)C[C@@H]1c1cccc(O)c1O 725425273 LXOITQSQSZMYGC-MNOVXSKESA-N 279.292 0.833 10 10 CCCE COc1cccc(CNC(=O)[C@@H]2CN(C)C(=O)N2)c1O 830540399 IUJWKZHHNPCWKR-VIFPVBQESA-N 279.296 0.041 10 10 CCCE O=C1N[C@H](C(=O)NCc2c(O)cccc2F)CO1 928707203 BZYXSQHEMHUBDU-QMMMGPOBSA-N 254.217 0.256 10 10 CCCE COc1ccc(N2CC[C@@H](NC(=O)COCCN)C2)cc1 852844406 UVIIEKQCWZGHAQ-GFCCVEGCSA-N 293.367 0.365 10 10 CCCE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CCN(C)C1=O 935947888 GOWCRBBMFDUXNC-JTQLQIEISA-N 297.351 0.972 10 10 CCCE COC(=O)CCNC(=O)CCNCc1cc(F)ccc1O 862528339 UTYIZXHNFXHUQV-UHFFFAOYSA-N 298.314 0.690 10 10 CCCE COCC(O)(CNCc1ccc(N(C)C)cc1)COC 1875693464 LTTPLXDEUFVCIQ-UHFFFAOYSA-N 282.384 0.866 10 10 CCCE COc1ccc(N2C[C@@H](N)CC[C@@H]2C(=O)O)c(N)c1 1876551593 VOAGTCHRARVXSQ-QPUJVOFHSA-N 265.313 0.658 10 10 CCCE COc1nc(=N)[nH]c(=N[C@H](C)c2ccccc2O)[nH]1 1877590438 UAFVZKNXMJVOMA-SSDOTTSWSA-N 261.285 0.593 10 10 CCCE CN(C1CC(CO)C1)S(=O)(=O)Cc1ccc(N)cc1 1879164079 MGVQSQKAQFAYIR-UHFFFAOYSA-N 284.381 0.801 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC[C@@H]3COC[C@H]32)cc1 1899077773 WVLGXRSTRJJKQZ-DGCLKSJQSA-N 282.365 0.819 10 10 CCCE O=C1NCC[C@@H]1CCNCc1ccc(O)c(O)c1O 1887207912 WSBIVFSYXKQAGP-QMMMGPOBSA-N 266.297 0.419 10 10 CCCE Nc1ccc(CS(=O)(=O)Nc2nc[nH]n2)cc1 701543800 PHWKXEBEGLQSRN-UHFFFAOYSA-N 253.287 0.329 10 10 CCCE CC(=O)N[C@@H](CC(=O)O)[C@H]1NCCc2cccc(O)c21 83659585 VOKQWPLZSUYRTM-IINYFYTJSA-N 278.308 0.558 10 10 CCCE COc1ccc(CNC[C@@H](O)CNC(=O)C2CC2)cc1C 1320187645 LYHYUWFZCYTTLG-CQSZACIVSA-N 292.379 0.980 10 10 CCCE C[C@@]1(O)CCN(c2ccc3c(c2)CC[C@@H]3N)C[C@H]1O 1893303480 ZMNLCSURRLQMKW-RRFJBIMHSA-N 262.353 0.955 10 10 CCCE Nc1ccc(CCNC(=O)C(=O)NC[C@@H]2CCCO2)cc1 1329837444 JBNFZAILHQJZIS-ZDUSSCGKSA-N 291.351 0.223 10 10 CCCE NC(=O)C[C@H]1CCN(CCOc2ccc(N)cc2)C1 690802216 AXVUTISFFLZJLV-LLVKDONJSA-N 263.341 0.845 10 10 CCCE CO[C@H]1CS(=O)(=O)C[C@H]1Nc1ccc(N)cc1 696850894 RBCIRMDUSMBOSZ-MNOVXSKESA-N 256.327 0.493 10 10 CCCE O=C(Cn1ncnn1)Nc1c(Cl)ccc2nonc12 1271356674 PJKYBLOFSDPNAO-UHFFFAOYSA-N 279.647 0.501 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)[C@H]1[C@@H]2CS(=O)(=O)C[C@@H]21 2117937178 YOGBNCJYLBBDHW-AXTSPUMRSA-N 284.341 0.578 10 10 CCCE COc1ccc(N2C[C@@H](O)C[C@H]2CN(C)C)c(N)c1 213452771 VCLQFKWRWPRMOA-QWRGUYRKSA-N 265.357 0.779 10 10 CCCE COC(=O)[C@@H]1CC[C@H](C(=O)NCc2c(O)cccc2O)O1 1635850219 ISVILVBAGRWFJH-NEPJUHHUSA-N 295.291 0.435 10 10 CCCE CNCc1ccc(N2C[C@@H](O)[C@@H](O)C2(C)C)c(F)c1 2124795842 LCNRICWXYVKZHI-CHWSQXEVSA-N 268.332 0.866 10 10 CCCE CC1(C)OC[C@H](NC(=O)Cc2ccc(N)cc2)[C@@H]1O 1910984473 FZXWIFOBROMVNT-AAEUAGOBSA-N 264.325 0.466 10 10 CCCE COc1ncc(S(=O)(=O)N2CC(N=[N+]=[N-])C2)s1 1912157142 RGSNGDJFEPKKGH-UHFFFAOYSA-N 275.315 0.835 10 10 CCCE CO[C@@H]1CNCC[C@@]1(NCCCN=[N+]=[N-])C(=O)O 1912198336 FOCVCKCKUXYMKN-SCZZXKLOSA-N 257.294 0.108 10 10 CCCE [N-]=[N+]=N[C@@H]1CCN(CCCN2CCCS2(=O)=O)C1 1912203370 PXVXINBZIDIZQY-SNVBAGLBSA-N 273.362 0.797 10 10 CCCE COc1cc(N2CCOC[C@@H]2CO)c([N+](=O)[O-])cc1OC 168727417 VDIGILZVFWHJRS-VIFPVBQESA-N 298.295 0.810 10 10 CCCE CCN(c1ccc(N)cc1)S(=O)(=O)N1CCC[C@H](O)C1 1914163106 MQLWHOPOCRSYDK-ZDUSSCGKSA-N 299.396 0.797 10 10 CCCE Oc1cc(F)ccc1CNC[C@@H]1CN2CCN1CC2 2139878008 JRAIMYMDGZASDH-CYBMUJFWSA-N 265.332 0.621 10 10 CCCE C[C@H]1CS(=O)(=O)CCN1C(=O)CCc1ccc(N)cc1 228712749 XGAUVHQXJIWYMI-NSHDSACASA-N 296.392 0.847 10 10 CCCE C[C@H]1CS(=O)(=O)CCN1Cc1cc(N)ccc1O 228729159 OLNQUJLKPNZJPT-VIFPVBQESA-N 270.354 0.593 10 10 CCCE CN(C(=O)CN1C[C@H]2[C@H](O)C[C@H]2C1)c1ccc(N)cc1 2151393139 NZQPYHJAWPJMGB-ZLKJLUDKSA-N 275.352 0.544 10 10 CCCE C[C@@H](C(=O)Nc1ccc(N)cc1)N1CCOC[C@H]1CO 253082443 XEGYSAVVJHQUMD-GXFFZTMASA-N 279.340 0.289 10 10 CCCE Oc1c(CN2CCNCC2)ccc2c1OCCO2 258414584 RIWNVCIOYMJTBR-UHFFFAOYSA-N 250.298 0.569 10 10 CCCE CN(C)[C@@H]1CN(c2ccc(CN)c(Cl)c2)C[C@H]1O 2029439263 VZNBZVOEXJKTEI-CHWSQXEVSA-N 269.776 0.910 10 10 CCCE N[C@@H](c1ccccc1O)C1(O)CCS(=O)(=O)CC1 2031158419 IYDRKDWNNJJKGB-NSHDSACASA-N 271.338 0.332 10 10 CCCE Nc1ccc(CCNC(=O)[C@@H]2CCS2(=O)=O)cc1 2033314655 YZWPLKJWWAKZTP-NSHDSACASA-N 268.338 0.115 10 10 CCCE COC[C@]1(O)CCN(c2ccc(CO)cc2F)C1 2034289783 LIEXOPSDKJFNGP-ZDUSSCGKSA-N 255.289 0.906 10 10 CCCE CO[C@H](C(=O)[C@H]1CCC(=O)C1=O)C1CCOCC1 2035492127 GBJUVDYPSUCZMW-ZANVPECISA-N 254.282 0.545 10 10 CCCE C[C@H]1CN(C)CCN1c1ccc2c(c1)N(C)C(=O)[C@H]2N 300549041 ONUNHTLQGZKWQF-HZMBPMFUSA-N 274.368 0.803 10 10 CCCE COc1cncc(S(=O)(=O)N2CC(N=[N+]=[N-])C2)c1 2039492986 INJZRUXMNKENMG-UHFFFAOYSA-N 269.286 0.773 10 10 CCCE Nc1cc2c(cc1N1C[C@H](O)[C@H]3COC[C@@H]31)OCCO2 2158415718 RASUVZMNZDKNTG-UWJYBYFXSA-N 278.308 0.236 10 10 CCCE CNC(=O)CN1CCN(c2ccc(CO)c(Cl)c2)CC1 700788997 ASTQDPYZAQIDIY-UHFFFAOYSA-N 297.786 0.700 10 10 CCCE O=C1Nc2cc(N3CC[C@H](N4CCC4)C3)ccc2[C@H]1O 702316754 CTTKBQVERQHAQD-SMDDNHRTSA-N 273.336 0.957 10 10 CCCE CN(Cc1cn(C)nn1)C(=O)CCc1ccc(N)cc1 689268016 RMURTALSCCHZRO-UHFFFAOYSA-N 273.340 0.989 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)[C@@H]2CN[C@H]3CCOC[C@@H]3C2)C1 2179524138 SVUYXSAZQPCQDN-VLJOUNFMSA-N 280.368 0.267 10 10 CCCE CN(C)C[C@]1(O)CCN(Cc2cc(N)ccc2O)C1 713674433 WTEAVHUPQQWGGZ-CQSZACIVSA-N 265.357 0.473 10 10 CCCE CO[C@@H]1CNC[C@@H]1S(=O)(=O)Nc1ccc(O)c(F)c1 722227839 NSYUQKUIHZTKMX-MNOVXSKESA-N 290.316 0.260 10 10 CCCE COc1ccc(O)c(CN[C@H]2CCCN(CCO)C2)c1 384413374 RBJOCYJDVJXISZ-ZDUSSCGKSA-N 280.368 0.947 10 10 CCCE O=C1C[C@@H](C(=O)Nc2ccc(O)c(O)c2)CCN1 2063647514 FGHZFQGJUGVFNY-ZETCQYMHSA-N 250.254 0.563 10 10 CCCE CN(C(=O)CN1C[C@H]2C[C@H]1C[C@@H]2O)c1ccc(N)cc1 2172091109 ZYJOZWLMFMBHTO-SWHYSGLUSA-N 275.352 0.687 10 10 CCCE C[C@H]1CNC(=O)CN1C(=O)[C@@H]1CNc2ccccc2N1 2181175077 VCPYZVXJTKMSJB-CABZTGNLSA-N 274.324 0.240 10 10 CCCE Cc1cc(CNS(=O)(=O)Cc2ccc(N)cc2)nn1C 2183110698 AOGDZKYUSOAZSN-UHFFFAOYSA-N 294.380 0.930 10 10 CCCE OC[C@@]1(NCc2cccc(O)c2O)C[C@@H](O)C12CCC2 2193971226 RSXCXOVIZNBBPB-DOMZBBRYSA-N 279.336 0.853 10 10 CCCE C[C@H](N)c1cc(F)c(N2C[C@H]3C[C@H]2[C@@H](O)[C@@H]3O)c(F)c1 2194698831 AVTJMHAZPVAREV-RPDWQRRKSA-N 284.306 0.915 10 10 CCCE Nc1ccc(N2CCN(C[C@@H]3CCNC3=O)CC2)cc1 2185177081 UYQFCUKUPOBSJP-LBPRGKRZSA-N 274.368 0.527 10 10 CCCE Nc1ccc(OCCC(=O)N[C@H]2CCNC(=O)C2)cc1 2186329135 FKYWHEFQOFCYAF-NSHDSACASA-N 277.324 0.433 10 10 CCCE C[C@H](c1c(O)cccc1O)N1C[C@H](N)C[C@@H](O)C1 2049119893 IZVVVXSIKIREIH-OPRDCNLKSA-N 252.314 0.553 10 10 CCCE CCOC(=O)[C@@](C)(CS(C)(=O)=O)NCCN=[N+]=[N-] 2050968472 YHHNSKGBCYJJQM-SECBINFHSA-N 278.334 0.253 10 10 CCCE COC(=O)NCCCNCc1cccc(O)c1O 2055417441 BSJVGGBMNVEKLF-UHFFFAOYSA-N 254.286 0.934 10 10 CCCE C[C@H](NC(=O)c1ccc(O)c(O)c1)c1nnc(CO)s1 2192600503 MXAKSQUZASQHSA-LURJTMIESA-N 295.320 0.933 10 10 CCCE CN1CCN(C(=O)C2=C[C@@H](O)[C@H](N)C2)c2ccccc21 2188023786 VZMNJPBLTXBARQ-BXUZGUMPSA-N 273.336 0.488 10 10 CCCE COCC1(NC(=O)c2cccc(O)c2O)COC1 2068961426 DOYVTJRRUZFNLF-UHFFFAOYSA-N 253.254 0.243 10 10 CCCE CN(CC1[C@H]2COC[C@H]12)C(=O)c1cc(O)c(O)c(O)c1 2188911208 AXDAIKZLXGNAPW-NXEZZACHSA-N 279.292 0.768 10 10 CCCE COc1ccc(O)c(CNC[C@H]2CCNC2=O)c1 2075995376 XFDUWEIEQDUPOQ-SECBINFHSA-N 250.298 0.627 10 10 CCCE CO[C@@H]1C[C@@H](C(=O)O)N(Cc2ccc(N)cc2)C1 2076943886 VTPWNSJCCSYCQE-NEPJUHHUSA-N 250.298 0.943 10 10 CCCE C[C@]1(O)CCN(c2ccc(CN)c(F)c2)C[C@@H]1O 2077301981 QLQVOYYQTPUWDH-STQMWFEESA-N 254.305 0.606 10 10 CCCE C[C@H]1C[C@]1(CNC(=O)c1cccc(O)c1O)C(=O)O 2101183755 QBLLMKATIOFMPV-WPPNPWJKSA-N 265.265 0.938 10 10 CCCE C[C@H](O)c1ccc(N2C[C@H](O)[C@@H]3COC[C@H]32)cc1O 2102178261 RYAUFPSOGICDSB-MBGOOHRESA-N 265.309 0.641 10 10 CCCE COc1cccc(O)c1CNCc1cc(=O)n(C)[nH]1 2104440379 UQCDGRKYTAOFRU-UHFFFAOYSA-N 263.297 0.717 10 10 CCCE CN1CCc2cc([C@@H](NN)c3cn(C)cn3)ccc21 2106856570 ATPIXMRBLVBVKK-CQSZACIVSA-N 257.341 0.965 10 10 CCCE CN(C)c1ccc(C=C2C(=O)NC(=S)N=C2N)cc1 2087120365 NCBZZQQEIMNCDH-UHFFFAOYSA-N 274.349 0.908 10 10 CCCE CNC1(CNC(=O)Cc2ccc(O)c(O)c2)CCC1 2087729889 SANJJDFPEIYCCL-UHFFFAOYSA-N 264.325 0.899 10 10 CCCE O=C(NC[C@H]1CCCCCN1)c1cc(O)nc(O)c1 2088445992 CUXFVDDEQGHCGR-SNVBAGLBSA-N 265.313 0.755 10 10 CCCE Nc1ccc(OCCN2CCCNC(=O)CC2)cc1 2089101089 IUPNQTWAZZRQPO-UHFFFAOYSA-N 263.341 0.860 10 10 CCCE CCOC(=O)[C@@H](NCCN=[N+]=[N-])C(C)(C)S(C)(=O)=O 2110404553 MKTUXRKBWRGQLE-MRVPVSSYSA-N 292.361 0.641 10 10 CCCE CCNC(=O)C1CN(C(=O)Cc2ccc(N)cc2)C1 2111737970 WEAFRFJXXDGYNJ-UHFFFAOYSA-N 261.325 0.406 10 10 CCCE O=C1CN(C(=O)c2cccc(O)c2O)[C@H]2CC[C@@H]2N1 2112063725 YLKOZXPBHCYWDM-IUCAKERBSA-N 262.265 0.201 10 10 CCCE NC(=O)[C@H]1C[C@@H](N)CN(Cc2c(O)cccc2Cl)C1 2094666458 PZDNHDFRMPSWIN-DTWKUNHWSA-N 283.759 0.680 10 10 CCCE O=C(CN1CC=C(CO)CC1)c1ccc(O)c(O)c1 2114543607 GICPVWCYHKDXPL-UHFFFAOYSA-N 263.293 0.905 10 10 CCCE CN1CC2(CCN2c2ccc3c(c2)NC(=O)[C@H]3O)C1 2230322883 VFVFBEQPNYJPNH-LBPRGKRZSA-N 259.309 0.566 10 10 CCCE Cc1cc([C@H](C)O)ccc1N1C[C@H]2C[C@H]1[C@H](O)[C@@H]2O 2232098220 LKGFCMLGXQHUAV-XNMLPBMOSA-N 263.337 0.979 10 10 CCCE COc1ccc(N2CCc3c(nnn3C)C2)c(CN)c1 2235961481 YWRATKNPDQUPCB-UHFFFAOYSA-N 273.340 0.845 10 10 CCCE COc1ccc(N2[C@H]3CC[C@H]2[C@H](O)[C@H](O)C3)c(CO)c1 2236002244 MCUKOECDESIDBA-HPEDKQMDSA-N 279.336 0.650 10 10 CCCE Oc1ccc(CN[C@H]2CCn3cnnc3C2)c(O)c1O 2236580145 CMVGJLSPQDPYMH-VIFPVBQESA-N 276.296 0.500 10 10 CCCE [N-]=[N+]=NCCCCN1C[C@H]2[C@H](C1)[C@H]1C[C@H]2[C@H](O)[C@@H]1O 2228744354 ZMCFYBBLKSJIHL-GRRRKWKPSA-N 266.345 0.996 10 10 CCCE C[C@@]1(CO)C=CCN1C(=O)COc1ccc(N)cc1 2228860295 PSHHMSGTSWLOOG-AWEZNQCLSA-N 262.309 0.797 10 10 CCCE COc1cccc(O)c1CNC1CC(O)(CO)C1 2256983457 NMAOGWHAVIDLHM-UHFFFAOYSA-N 253.298 0.376 10 10 CCCE C[C@@H](c1ccc(F)cc1O)N(C)CC1(O)CNC1 2259136743 FGQYABQGSJXWCF-VIFPVBQESA-N 254.305 0.858 10 10 CCCE N[C@]1(C(=O)O)CCN(c2ccc(OCF)cc2)C1 2263918453 LLZDDTWYFVJOTG-GFCCVEGCSA-N 254.261 0.985 10 10 CCCE Nc1ccc(CN2C[C@H]3CS(=O)(=O)[C@H]3C2)cc1 2299793897 AGOVGVWDDDEKNT-JQWIXIFHSA-N 252.339 0.498 10 10 CCCE O=C(C=Cc1ccc(O)c(O)c1)N[C@@H]1CCCCNC1=O 2307990489 SBYOOQZWKTZQMY-LLVKDONJSA-N 290.319 0.896 10 10 CCCE C[C@@H](O)[C@@H]1C[C@@H]1NCc1cc2c(cc1O)OCO2 2310396385 AEFOUIFBBCUKLR-JEZHCXPESA-N 251.282 0.980 10 10 CCCE [N-]=[N+]=NCCNC(=O)[C@@H]1[C@@H](C(=O)O)[C@@H]2C=C[C@H]1C2 2312333691 XWCXGNCYXRXMPC-KZVJFYERSA-N 250.258 0.936 10 10 CCCE CC[C@H](O)c1ccc(N2CC([C@@H](O)CO)C2)cc1 2315277060 XHWFONICGXWZPJ-KBPBESRZSA-N 251.326 0.919 10 10 CCCE N[C@H]1CCc2cc(N3C[C@@H](O)[C@@H](O)[C@@H]3CF)ccc21 2333236710 VJMCRHNSDIUNCO-FQUUOJAGSA-N 266.316 0.513 10 10 CCCE CNCc1ccc(N2[C@H]3CC[C@@H]2C[C@H](O)[C@H]3O)cc1 2331971127 QSTKYFRVEMGQES-QPSCCSFWSA-N 262.353 0.869 10 10 CCCE CNC[C@](C)(NCc1ccc(N(C)C)cc1)C(=O)O 2350308639 FTMPGRZINCBFNC-AWEZNQCLSA-N 265.357 0.905 10 10 CCCE CC(=O)N(C)C1CN(CCOc2ccc(N)cc2)C1 2353346206 ZZCVPIVGYDBONC-UHFFFAOYSA-N 263.341 0.810 10 10 CCCE CO[C@@H]1[C@H](OC(C)=O)O[C@H](C)[C@@H](N=[N+]=[N-])[C@@H]1OC(C)=O 22049643 ODLASXVOYXIJIR-UUWQSTJDSA-N 287.272 0.920 10 10 CCCE CC1(C)[C@@H]2C(=O)N(CC(=O)Nc3ccc(N)cc3)C(=O)[C@H]21 114050276 XGFDNFCXZVHGGV-RYUDHWBXSA-N 287.319 0.848 10 10 CCCE NCc1ccc(N2CCN(CCO)CC2)cc1Cl 61845783 FWAQLLCEBCRWAT-UHFFFAOYSA-N 269.776 0.913 10 10 CCCE C[C@H]1C(=O)NC(=O)CN1c1ccc(/C=C\C(=O)O)cc1 217739570 TVLUOABDCFOHBH-WYDVEAGSSA-N 274.276 0.636 10 10 CCCE COc1cccc(CN(C[C@@H](C)O)[C@@H](C)CO)c1O 191220246 FOULRBUZEXWGNE-WDEREUQCSA-N 269.341 0.964 10 10 CCCE COC(=O)[C@H](C)S(=O)(=O)Nc1ccc(O)cc1N 234538346 UUUVSPFFSXUFTG-LURJTMIESA-N 274.298 0.278 10 10 CCCE CN(C[C@H]1CCCN1)C(=O)c1cc(O)nc(O)c1 234322473 ODMXKNQBGHVSPK-SECBINFHSA-N 251.286 0.317 10 10 CCCE CC(=O)C(=O)COC(=O)c1c[nH]cc1-c1cnn(C)c1 808539338 ZWVZIVRQWFXETN-UHFFFAOYSA-N 275.264 0.730 10 10 CCCE O=C(N[C@]1(C(=O)O)CC[C@H]2C[C@@H]21)c1cc(O)nc(O)c1 2165583710 RQKQCSRBLCBORG-URYRSIAASA-N 278.264 0.476 10 10 CCCE CN[C@@H]1CCC[C@H](NC(=O)c2cc(O)nc(O)c2)C1 721633812 PVZJHZCAVJFXLD-ZJUUUORDSA-N 265.313 0.753 10 10 CCCE O=c1oc2ccc(Cl)cc2n(OC2CCNCC2)c1=O 821297191 RJILLBGFNSJQJR-UHFFFAOYSA-N 296.710 0.789 10 10 CCCE CN=[S@@](C)(=O)CCNC(=O)c1ccc(C)c(O)c1O 912789846 QWADDYQXOOLBLV-IBGZPJMESA-N 286.353 0.864 10 10 CCCE CN1CCN(C(=O)c2cc(O)cs2)C[C@H]1CO 913544105 WUNJEWIZBXRKKJ-QMMMGPOBSA-N 256.327 0.202 10 10 CCCE CN1C[C@H](O)C[C@]1(C)C(=O)NCc1c(O)cccc1F 928709714 DOWWKILIDMHFLH-YMTOWFKASA-N 282.315 0.603 10 10 CCCE OC[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@@H]1O 930699859 LNWBKIYOOJSYOD-ZBFHGGJFSA-N 292.379 0.308 10 10 CCCE Nc1cc2c(cc1N1C[C@@H]3C[C@@]3(N)C1)CCC(=O)N2 1876217433 KCYLRWFHQBGAMJ-LKFCYVNXSA-N 258.325 0.691 10 10 CCCE Nc1cc2c(cc1N1CCN[C@@H]3CC[C@@H]31)OCCO2 1876383778 DOXUQZOTGMHJNM-MNOVXSKESA-N 261.325 0.981 10 10 CCCE Nc1ccc(CC(=O)NC[C@@H]2C[C@@H](N)[C@H](O)C2)cc1 1876419433 FSTIMDZELGOCGS-RAIGVLPGSA-N 263.341 0.026 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@H]2CCCNCC2)cc1 1876408909 KZFHCNFORDDWDH-CYBMUJFWSA-N 283.397 0.830 10 10 CCCE NC(=O)c1cccc(N)c1N[C@H]1[C@H]2NCCCC[C@H]21 1876453359 KFUXTUAOUWKBJO-OXHMUOHRSA-N 260.341 0.920 10 10 CCCE Nc1ccc(OCC(=O)NC2CC3(C2)C[C@H]3N)cc1 1876525528 NCSPBVCBYDUTKK-KSGYAGIASA-N 261.325 0.644 10 10 CCCE Nc1ccc(CC(=O)N[C@@H]2C[C@H]3CNC[C@H]2C3)cc1 1876525763 QMEPPJJBWREVBN-OUCADQQQSA-N 259.353 0.926 10 10 CCCE CNC1(CNC(=O)CCOc2ccc(N)cc2)CC1 1876670345 FOFBFLVNBSFRBB-UHFFFAOYSA-N 263.341 0.906 10 10 CCCE OC[C@@]1(CNCc2ccc(O)c(O)c2O)CCCO1 1879594540 CKAVBUMFOWTFHS-ZDUSSCGKSA-N 269.297 0.435 10 10 CCCE CC(=O)C(=O)[C@@H](O)[C@@H]1CCCN1C(=O)OC(C)(C)C 1881417644 LJHWCYYIXQTWMS-ONGXEEELSA-N 271.313 0.905 10 10 CCCE CCOC(=O)[C@@H](CCOC)NC(=O)c1cccc(O)c1O 799071869 UZQKNYRHYZFOGB-SNVBAGLBSA-N 297.307 0.796 10 10 CCCE CC(=O)N[C@H]1CCN(C(=O)CCc2ccc(N)cc2)C1 133352645 PGBJHEUJLYQQJC-AWEZNQCLSA-N 275.352 0.938 10 10 CCCE COC(=O)[C@H](C)S(=O)(=O)Cc1ccc(N)cc1 58237295 PZSHPJIWSSEPNO-QMMMGPOBSA-N 257.311 0.745 10 10 CCCE COCn1nccc1S(=O)(=O)NCCCCN=[N+]=[N-] 1963989596 SPGNBUUTALMTFJ-UHFFFAOYSA-N 288.333 0.856 10 10 CCCE Cc1cccc([C@@H](N)c2nnc([C@@H](O)CO)o2)c1O 83480997 OCDQEQVMMWLFHO-DTWKUNHWSA-N 265.269 0.157 10 10 CCCE Cc1ccc2c(c1)c(C[C@@H](N)C(=O)O)cc(=O)n2C 84135596 KKCGTGHMZSRDNL-LLVKDONJSA-N 260.293 0.801 10 10 CCCE CN(CCCNCc1ccc(O)c(O)c1)S(C)(=O)=O 692417952 YEAQFRYVODPZTH-UHFFFAOYSA-N 288.369 0.469 10 10 CCCE CN1C(=O)[C@H](O)c2ccc(N3C[C@H]4COC[C@@H]4C3)cc21 718353716 NYPYICXUIHNGJL-PKFCDNJMSA-N 274.320 0.779 10 10 CCCE CN(Cc1ccc(N(C)C)cc1)C(=O)[C@]1(N)CCOC1 85875584 YULQTEFDSBXSIW-HNNXBMFYSA-N 277.368 0.829 10 10 CCCE C[C@H](c1ccc(N(C)C)cc1)N1CCNC[C@@H]1C(N)=O 88659679 VBOWIMAPDPHGAW-BXUZGUMPSA-N 276.384 0.573 10 10 CCCE O=C(O)CCN(CCO)Cc1c(O)cccc1F 1964703509 OUUVLMCISKNRNB-UHFFFAOYSA-N 257.261 0.800 10 10 CCCE CC[C@@H]1C(=O)NC(=O)CN1C(=O)Nc1ccc(N)cc1 97321317 WQHTUWVMRFAFPP-SNVBAGLBSA-N 276.296 0.538 10 10 CCCE COc1cccc(CN(C)[C@H]2COC[C@H]2C(=O)O)c1O 250244752 SLAJLBWIRFJCHA-MNOVXSKESA-N 281.308 0.932 10 10 CCCE COC(=O)NCC(=O)NCc1ccc2cccnc2c1O 1451954661 MNZUETQXXYSKNJ-UHFFFAOYSA-N 289.291 0.913 10 10 CCCE O=C1Nc2cc(N3C[C@@H](CO)[C@@H](F)C3)ccc2[C@@H]1O 2120608783 JFEPUQKOPXWTJF-JWYUURKGSA-N 266.272 0.439 10 10 CCCE CO[C@@H]1COC[C@@H]1N(C)C(=O)c1ccc(O)c(O)c1 2120749463 BGTPRXVMRYFSTM-JOYOIKCWSA-N 267.281 0.584 10 10 CCCE COc1ccc(N2C[C@H](O)CNC[C@H]2C)c(OC)c1 217180377 BSUABVONQRKNIU-GHMZBOCLSA-N 266.341 0.863 10 10 CCCE COC(=O)C(NCc1ccccc1O)C(=O)OC 106253703 GZVWMMCWBKVZEP-UHFFFAOYSA-N 253.254 0.196 10 10 CCCE Cc1cc(N2CC[C@]3(CNC(=O)N3)C2)ccc1CN 2121212301 ZHYIQQYNJDXYDR-AWEZNQCLSA-N 260.341 0.715 10 10 CCCE COc1ccc(O)c(CN2CC[C@H](CO)[C@H](N)C2)c1 2122334887 PCOOKMHLOZLPIM-ZWNOBZJWSA-N 266.341 0.542 10 10 CCCE COC[C@@H](C)CN(CC(N)=O)Cc1ccc(N)cc1 1910132390 VNCAPPCNKUSGIM-NSHDSACASA-N 265.357 0.839 10 10 CCCE Cn1nc(C(=O)NCc2c(O)cccc2F)cc1O 1652298070 DUAWJGADLRIDTP-UHFFFAOYSA-N 265.244 0.900 10 10 CCCE CCCCNC(=O)NC(=O)CN(C)CCN=[N+]=[N-] 1912176195 VZIBYKJZCPLTJN-UHFFFAOYSA-N 256.310 0.854 10 10 CCCE CCn1cc(S(=O)(=O)N(C)CCCN=[N+]=[N-])nn1 1912156726 PWLJWYRERTZYQJ-UHFFFAOYSA-N 273.322 0.619 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCN(C(=O)[C@H]2COCCO2)C1 1912143582 IAVWXTITNMEPOL-VHSXEESVSA-N 254.290 0.951 10 10 CCCE O=C1Nc2cc(N3CCOC[C@H]3CF)ccc2[C@@H]1O 2126199474 BKAULGLWHCYYJP-SKDRFNHKSA-N 266.272 0.847 10 10 CCCE NN[C@@H](c1ccccc1O)c1cccc2ncnn12 2127751725 KPIYORFGVIEIRO-ZDUSSCGKSA-N 255.281 0.988 10 10 CCCE OC[C@H](O)[C@@H]1CCCN1c1ccc2c(c1)CC[C@@H]2O 2128320719 DQDDTXCJXOBLAT-KKUMJFAQSA-N 263.337 0.988 10 10 CCCE C[C@@]1(CO)C[C@@H](O)CN1c1ccc2c(c1)CC[C@H]2O 2128316089 ADQSDOLOIISRHH-YUELXQCFSA-N 263.337 0.988 10 10 CCCE N[C@H]1CC(c2nc3ccccc3n2CCO)=C[C@@H]1O 2131476446 RVDSCXAXHRNKFB-GWCFXTLKSA-N 259.309 0.504 10 10 CCCE CO[C@@H]1C[C@H](NCc2ccc(O)c(O)c2O)C[C@H]1O 2130803752 CSGGLYOQNUISIN-FBIMIBRVSA-N 269.297 0.431 10 10 CCCE C[C@@H](CNC(=O)c1cc(O)c(O)c(O)c1)CC(=O)O 2132350743 PZNBYDHSGXWVQF-ZCFIWIBFSA-N 269.253 0.644 10 10 CCCE COCC1CC(NC(=O)c2cc(O)c(O)c(O)c2)C1 2132348583 ONVLRTQNXBIAEY-UHFFFAOYSA-N 267.281 0.958 10 10 CCCE CN(Cc1ccccc1O)S(=O)(=O)CCC1CNC1 2134976576 ZKPDUVATXXBUQP-UHFFFAOYSA-N 284.381 0.763 10 10 CCCE C[C@H](c1ccc(O)cc1O)N1CC(CO)(C(=O)O)C1 2136356758 DFFVUVIUUYHYGR-MRVPVSSYSA-N 267.281 0.538 10 10 CCCE COc1cc(N)c(N2CCCN(C)C(=O)C2)cc1OC 228898153 XYXRFPJHCIEMPM-UHFFFAOYSA-N 279.340 0.955 10 10 CCCE CNCc1ccc(N2C[C@H](O)C[C@@H](O)C2)cc1OC 2139684360 JNTMUQWBDISWGO-CHWSQXEVSA-N 266.341 0.347 10 10 CCCE COC[C@](C)(CO)CNC(=O)Cc1ccc(N)cc1 1927000283 PNXMLCJOQXBEDP-AWEZNQCLSA-N 266.341 0.573 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)[C@@H]1C=CCCN1 1968738676 CUGHUPIDMUWNNN-NSHDSACASA-N 262.309 0.675 10 10 CCCE Cc1cccc(CNC(=O)[C@H]2CNC[C@@H](O)C2)c1O 2139764558 RECLTTMBWKTDRD-NEPJUHHUSA-N 264.325 0.287 10 10 CCCE CCNCc1ccc(N(CC(N)=O)CC(N)=O)cc1Cl 233513450 ADISDNMSGCPOMQ-UHFFFAOYSA-N 298.774 0.227 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3C[C@H](O)[C@H](C4CC4)C3)ccc21 2146829522 WCPINWMCFZFGND-UBHSHLNASA-N 273.336 0.846 10 10 CCCE C[C@H](c1ccccc1O)N(C)CCN1C(=O)CNC1=O 2143448582 VBFMMEHZTIXDGA-SNVBAGLBSA-N 277.324 0.937 10 10 CCCE C[C@H]1OCCO[C@H]1CNC(=O)COc1ccc(N)cc1 2143730722 MVQGJOWJJRIHKR-MFKMUULPSA-N 280.324 0.568 10 10 CCCE C[C@@]12C[C@@H](CO1)N(C[C@H](O)COc1ccc(N)cc1)C2 2144575593 JBMWDMBWXFOCGH-YDHLFZDLSA-N 278.352 0.872 10 10 CCCE NC(=O)c1cccc(N)c1N[C@@H]1CCO[C@@]12CCOC2 2144688859 ZVTWZBNXCBKQED-BXUZGUMPSA-N 277.324 0.728 10 10 CCCE CN(C)C(=O)CCOc1ccc(N2CCNCC2)cc1 37897763 YMDOBQHUTKISHV-UHFFFAOYSA-N 277.368 0.953 10 10 CCCE C[C@H](N)c1ccc(N2C[C@]3(CO)C[C@]3(CO)C2)cc1O 2146305606 HSUMRQHHIIIKAP-NZVBXONLSA-N 278.352 0.593 10 10 CCCE Nc1ccc(CN(C(=O)Cn2cnnn2)C2CC2)cc1 2146482992 BVAHHXWOIMEBEB-UHFFFAOYSA-N 272.312 0.447 10 10 CCCE COc1cc(N2CC([S@@](C)=O)C2)ccc1CO 2024760249 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Cc1cc(O)cc(C)c1NS(=O)(=O)N1CCNC[C@H]1C 2239753679 JNWLCAXZOXOFSE-LLVKDONJSA-N 299.396 0.959 10 10 CCCE NC[C@@H]1CC[C@@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)CO1 2253778571 SDJWFBFWDRTUSG-DBIOUOCHSA-N 254.330 0.006 10 10 CCCE COc1ccc(N2CC[C@H](O)[C@H](O)CC2)c(N)c1 2256976923 GSIPSMMQGAYNJY-BETUJISGSA-N 252.314 0.599 10 10 CCCE CCCOc1cc(N2CC(O)(CCO)C2)ccc1N 2270656654 PNPYYPVJRLGBQS-UHFFFAOYSA-N 266.341 0.991 10 10 CCCE Cc1c([C@@H](C)N)ccc(N2CC(O)(C(N)=O)C2)c1C 2340862085 REAQPMYLPKTLBE-SNVBAGLBSA-N 263.341 0.360 10 10 CCCE CS(=O)(=O)CCOc1ccc(N2CCCNCC2)cc1 43461590 XKOZKGYEPJFCNJ-UHFFFAOYSA-N 298.408 0.910 10 10 CCCE N/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O 100427023 NOWRMDFJTJFMBQ-VMPITWQZSA-N 265.656 0.765 10 10 CCCE NCc1cc(F)c(N2CC[C@@H]3C[C@H]2[C@H](O)[C@H]3O)c(F)c1 2357593024 QXHRMLNBNQWKOF-DWVUBDKYSA-N 284.306 0.744 10 10 CCCE Cc1nnc(CNC(=O)c2cc(O)c(O)c(O)c2)o1 1148590435 JYGJSHYEPCAMOG-UHFFFAOYSA-N 265.225 0.425 10 10 CCCE COCCNC(=O)[C@@H](C)NCc1ccc2c(c1)CCN2C 228985627 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C[C@H](N)c1ccc(N2CC[C@H](NC(N)=O)C2)cc1O 723169460 MQTUCPFNGVNBDA-IUCAKERBSA-N 264.329 0.659 10 10 CCCE COc1ccc(CNC[C@H](O)CS(C)(=O)=O)cc1C 922827022 MPKISPYELNDWCT-LBPRGKRZSA-N 287.381 0.499 10 10 CCCE [N-]=[N+]=NCCCCNC(=O)[C@@H]1CCCS1(=O)=O 694661980 CPZLHZZZFYOJAP-QMMMGPOBSA-N 260.319 0.770 10 10 CCCE CC1(C)CN(C(=O)COc2ccc(N)cc2)CCN1 1876485862 AYKGGVLNDRKKAX-UHFFFAOYSA-N 263.341 0.858 10 10 CCCE C[C@@H]1CCN[C@@H]1CNC(=O)COc1ccc(N)cc1 1876452101 VLCDBBVFJKENAD-ZWNOBZJWSA-N 263.341 0.762 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@@H]3CC[C@@]3(N)C2)cc1 1876535645 SACJSWLRKNVPNX-WCQYABFASA-N 281.381 0.522 10 10 CCCE Nc1ccc(CCC(=O)NCC2[C@@H]3CNC[C@@H]23)cc1 1876511776 VAHZPWNXCNKESH-CHWSQXEVSA-N 259.353 0.783 10 10 CCCE CN(Cc1ccc(=NN)[nH]n1)Cc1ccccc1O 1877524070 JEUGVOQCIAWMHP-UHFFFAOYSA-N 259.313 0.522 10 10 CCCE C[C@H](O)c1cc(F)c(N2CC[C@H](O)[C@@H](O)C2)c(F)c1 1880487817 ISOAXIRZBXKPLO-QILRFPOHSA-N 273.279 0.950 10 10 CCCE C[C@H](CO)[C@H](C)NC(=O)Cc1ccc(O)c(O)c1 1963751721 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C[C@H](NC[C@@H]1CN(C)CCN1C)c1cc(O)ccc1O 68800718 WEHWPFIPTTVOGX-NWDGAFQWSA-N 279.384 0.994 10 10 CCCE CC[C@H]1[C@H](C(=O)O)CCN1C(=O)c1cc(O)nc(O)c1 690677361 IAVDHYTUTUFMTL-BDAKNGLRSA-N 280.280 0.818 10 10 CCCE Nc1ccc(CC(=O)NC[C@H]2CC[C@H](C(=O)O)O2)cc1 94560321 POSZPMXLGHQREA-VXGBXAGGSA-N 278.308 0.560 10 10 CCCE C[C@H]1CN2CCN1C[C@H]2C(=O)NCc1c(O)cccc1F 1349385462 ZRCHDHWOSIFTHX-GWCFXTLKSA-N 293.342 0.536 10 10 CCCE COCCNC(=O)CCN(C)Cc1ccc(N)cc1 2116883850 FRDWJMFGPQVTPQ-UHFFFAOYSA-N 265.357 0.853 10 10 CCCE CNC[C@@H]1CN(C)CCN1c1ccc2c(c1)OCO2 216988235 NKHDUXKAAIMZGH-GFCCVEGCSA-N 263.341 0.755 10 10 CCCE CN(C[C@@H]1COCCN1)c1ccc2c(c1)OCCO2 217084303 KWTJYMPGXVECQA-LLVKDONJSA-N 264.325 0.882 10 10 CCCE O=C(NCc1cc(O)ccc1O)[C@]1(O)CCSC1 1455356639 JTTWNZQQBMNDIG-LBPRGKRZSA-N 269.322 0.582 10 10 CCCE N[C@@H]1CN(Cc2cc(F)cc(F)c2O)CC[C@H]1CO 2122349722 VNUWKMAZVOXSKT-QPUJVOFHSA-N 272.295 0.812 10 10 CCCE C[C@H](NC(=O)Cc1ccc(O)c(O)c1)[C@@H]1CN(C)CCO1 1631259491 ZAVKUMHXYLLRRA-HZMBPMFUSA-N 294.351 0.476 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@H](CCO)C1CC1 1631667597 VEJXZKSIJNNDBP-LLVKDONJSA-N 265.309 0.918 10 10 CCCE COC(=O)[C@](C)(NCCN=[N+]=[N-])[C@@H]1CCCCN1 1912208003 QJTDUSIXQWTLDP-GXSJLCMTSA-N 255.322 0.960 10 10 CCCE OCc1ccc(N2C[C@@H]3C[C@H](C2)[C@@H](O)[C@H]3O)c(F)c1 2126155430 IKDYZKMMLBWZCY-IOQCUFBNSA-N 267.300 0.496 10 10 CCCE COC(=O)NS(=O)(=O)Nc1ccc(O)cc1F 163234094 ZFSMFEVPAOWZRF-UHFFFAOYSA-N 264.234 0.544 10 10 CCCE COC(=O)c1nc(OCc2ccc(N)cc2)nn1C 2128182596 QOBOIVYOXUVZNG-UHFFFAOYSA-N 262.269 0.763 10 10 CCCE C[C@H]1CO[C@@H](CO)CN1CC(=O)N(C)c1ccc(N)cc1 167038586 OCEUSFBTKKPYBP-SMDDNHRTSA-N 293.367 0.313 10 10 CCCE O=C1N[C@@H]2CN(c3ccc4c(c3)CC[C@H]4O)C[C@H]2O1 2128314769 KGXXSBCHTQQKFH-JHJVBQTASA-N 260.293 0.963 10 10 CCCE COc1cc(OC)c(N(C)CC(N)=O)c(OC)c1 258982086 CNTCGQDHCHTRLW-UHFFFAOYSA-N 254.286 0.634 10 10 CCCE Nc1ccc2c(c1)CCC(=O)N2C(=O)C1(CO)CC1 259090499 YRBPQNYWIYFPNW-UHFFFAOYSA-N 260.293 0.847 10 10 CCCE O=C(O)[C@H]1CC12CN(C(=O)c1cccc(O)c1O)C2 1914764913 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COc1cc(N2C[C@H](O)C[C@]2(C)CO)ccc1CN 2139685387 QHMKQGDIEQVIER-TZMCWYRMSA-N 266.341 0.476 10 10 CCCE COC(=O)[C@H](N)CC(C)(C)c1cc(O)c(O)c(O)c1 1951962903 AZQYAHSVSKIKTQ-MRVPVSSYSA-N 269.297 0.971 10 10 CCCE COc1cc(Cl)cc([C@H]2NCCNC2=O)c1O 1952359150 STNKAQCVRVWINU-SECBINFHSA-N 256.689 0.815 10 10 CCCE C[C@H]1CO[C@@H](CO)CN1C(=O)Nc1ccc(N)cc1 168143572 VNYGOCHGUJCDDV-JOYOIKCWSA-N 265.313 0.882 10 10 CCCE CN1CCN(C)[C@H](CNCc2cccc(F)c2O)C1 158770834 AYEJRFBACFXWEB-GFCCVEGCSA-N 267.348 0.867 10 10 CCCE C[C@@H]1OCCO[C@H]1C(=O)NCCc1ccc(O)c(O)c1 2148000106 MIFIZIWYDATYTR-TVQRCGJNSA-N 281.308 0.560 10 10 CCCE O=C(NC[C@]1(O)C[C@H]2CC[C@H]1C2)c1cc(O)nc(O)c1 2145232388 REGRKTQWZZPWNN-QEVYDEPDSA-N 278.308 0.774 10 10 CCCE Cc1[nH]ncc1S(=O)(=O)NCCOc1ccc(N)cc1 38079601 VMGODHPESXBDAR-UHFFFAOYSA-N 296.352 0.658 10 10 CCCE COCCN(CCO)CC(=O)N(C)c1ccc(N)cc1 164226892 OCFLISLZKZJDFA-UHFFFAOYSA-N 281.356 0.172 10 10 CCCE C[C@H](NC(=O)COc1ccc(N)cc1)C(=O)N(C)C 40304758 LKRNLKQJXHZYFQ-VIFPVBQESA-N 265.313 0.241 10 10 CCCE C[C@H](c1ccc(O)cc1O)N1CCC(N)(C(N)=O)CC1 2154306768 HJTDQXRPYDFBCD-SECBINFHSA-N 279.340 0.437 10 10 CCCE CN[C@H](c1ccccc1O)[C@@H](O)COCCOC 2031158832 KDHZBDSHAGXEBL-QWHCGFSZSA-N 255.314 0.677 10 10 CCCE C[C@H]1CN(C)CCN1C[C@H](O)COc1ccc(N)cc1 300541351 QSVRFDNHNRINIE-JSGCOSHPSA-N 279.384 0.644 10 10 CCCE CNS(=O)(=O)CCNCc1ccc2c(c1)CCN2C 190310990 OIPCITACPYLZTF-UHFFFAOYSA-N 283.397 0.318 10 10 CCCE CO[C@H](CN(CC(N)=O)Cc1ccc(N)cc1)C1CC1 400279159 IAINXDLJCPRCCU-CQSZACIVSA-N 277.368 0.981 10 10 CCCE CC1(C)[C@H](O)CCN1c1ccc2c(c1)NC(=O)[C@H]2N 311570823 USHZMUSZSYPQIL-NEPJUHHUSA-N 261.325 0.988 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)C1=NNC(=O)CC1 701264062 MKLPWHXIPBIDRF-ZETCQYMHSA-N 250.262 0.554 10 10 CCCE CN[C@@H](C)c1ccc(N(C)Cc2nnnn2C)cc1O 707668942 BULDJEQKSJBFJZ-VIFPVBQESA-N 276.344 0.833 10 10 CCCE NS(=O)(=O)CCCCNCc1cccc(F)c1O 380913844 YOIRFYLNYODLDC-UHFFFAOYSA-N 276.333 0.690 10 10 CCCE O=C(NC[C@H]1CCO[C@@H]1C(=O)O)c1ccc(O)c(O)c1 715127727 GNBVZHWCEPAFJR-KCJUWKMLSA-N 281.264 0.317 10 10 CCCE COC(=O)C(C)(C)CNC(=O)COc1ccc(N)cc1 383581946 IBQNPWRKUUJBAI-UHFFFAOYSA-N 280.324 0.963 10 10 CCCE C[C@H]1C[C@H](O)CN1CC(=O)c1ccc(O)c(O)c1 384868973 SCTPSDAQKVSAPF-WPRPVWTQSA-N 251.282 0.736 10 10 CCCE O=S(=O)(C[C@@H]1CCNC1)NCc1ccccc1O 722220127 QADCUFHMNQLJLY-SNVBAGLBSA-N 270.354 0.421 10 10 CCCE COCC[C@@H](COC)NC(=O)c1ccc(O)c(O)c1 388971805 OTFHYMIDDDFOFB-JTQLQIEISA-N 269.297 0.879 10 10 CCCE CN(CC[S@@](C)=O)C(=O)c1ccc(O)c(O)c1 399936190 ZJUFMFTXRAYTLO-QGZVFWFLSA-N 257.311 0.548 10 10 CCCE COc1cccc(O)c1CN[C@]1(C)CCC(=O)NC1=O 2172840564 XSFVREPDZSKVQV-CQSZACIVSA-N 278.308 0.686 10 10 CCCE COc1ccc(N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c(C)c1 2173419356 ZTVXKRKAYBPZCC-AAEUAGOBSA-N 275.352 0.752 10 10 CCCE Cc1cc(O)n2ncc(C(=O)N3C[C@H](C)O[C@H](C)C3)c2n1 2063887148 ZAQDFIRBELRXED-AOOOYVTPSA-N 290.323 0.993 10 10 CCCE C[C@H](O)[C@@H]1CN(c2ccc3c(c2)NC(=O)[C@@H]3O)CCO1 2174148375 CSVDCIADJQSTJK-AQUOVQTQSA-N 278.308 0.258 10 10 CCCE O=S1(=O)C[C@@H]2[C@H](NCc3cc4c(cc3O)OCO4)[C@@H]2C1 2174645054 WNGPTOOYLPFZBZ-YFKFIEJBSA-N 297.332 0.254 10 10 CCCE Nc1ccc(OCC(=O)N[C@H](CO)c2cscn2)cc1 2175675015 HRXZGSPUZWUKQS-LLVKDONJSA-N 293.348 0.954 10 10 CCCE C[C@H](CO)N1CCN(C(=O)c2cccc(O)c2O)CC1 2169352710 IHAJTMRVENDCTH-SNVBAGLBSA-N 280.324 0.236 10 10 CCCE CC1(C)CN(C(=O)c2ccc(O)c(O)c2)CCS1(=O)=O 2170329970 KWAUUKOEMKPMJH-UHFFFAOYSA-N 299.348 0.747 10 10 CCCE CN1CCO[C@@H](C(=O)NCCOc2ccc(N)cc2)C1 2187807324 XYARNYDYOXNTNV-CYBMUJFWSA-N 279.340 0.094 10 10 CCCE N[C@@H]1CC(c2nc(-c3ccc(O)c(O)c3)no2)=C[C@@H]1O 2188026335 LFWRKAJFTUWBKM-SCZZXKLOSA-N 275.264 0.623 10 10 CCCE C[C@H]1CNC(=O)CN1c1cc2c(cc1F)[C@@H](O)C(=O)N2 2181167695 MMWOPUCORDROOH-PWCHPLFNSA-N 279.271 0.136 10 10 CCCE C[C@H](C(=O)O)N1CC(NCc2ccc3c(c2)CCO3)C1 2188312864 OKJBGTXVVZEGJM-SNVBAGLBSA-N 276.336 0.868 10 10 CCCE CN1CC[C@H](N(C)C(=O)Cc2ccc(N)cc2)CC1=O 2188484793 LPKGPUGIODGQMN-ZDUSSCGKSA-N 275.352 0.891 10 10 CCCE C[C@@H]1[C@@H](O)CN1c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 2182523503 NCJOHVGBYSDPRR-LDWIPMOCSA-N 279.252 0.495 10 10 CCCE Nc1ccc(CC(=O)NC2(C(=O)O)CC(CO)C2)cc1 2193932654 SAPRHQVARYHENV-UHFFFAOYSA-N 278.308 0.153 10 10 CCCE COc1ccc(N(C[C@@H](C)O)C[C@@H](C)O)c(N)c1 2041736815 PRAKQUMXJYHEFP-NXEZZACHSA-N 254.330 0.845 10 10 CCCE COC(=O)NCCNCc1c(O)cccc1OC 2042579713 QZPCVNWQSSVGNP-UHFFFAOYSA-N 254.286 0.846 10 10 CCCE O[C@H]1CCc2cc(N3CCN4C[C@H](O)C[C@H]4C3)ccc21 2184737086 BPHOTKLVEYJXHQ-LZWOXQAQSA-N 274.364 0.921 10 10 CCCE CCN(c1ccc2c(c1)CC[C@@H]2N)[C@@H]1CC(=O)NC1=O 2184743782 NSUYLMHEXKIOFI-QWHCGFSZSA-N 273.336 0.874 10 10 CCCE C[C@@H]1C[C@]1(CNC(=O)c1cccc(O)c1O)C(=O)O 2101183752 QBLLMKATIOFMPV-FUXBKTLASA-N 265.265 0.938 10 10 CCCE C[C@H](c1ccc(O)cc1O)N1C[C@@H](N)C[C@@H](O)C1 2049119261 DONGAJMSIUMLNI-WCABBAIRSA-N 252.314 0.553 10 10 CCCE O=C1CN(c2ccc(CO)cc2Cl)C[C@H]2COCCN12 2185858733 QZCBRQDNOPEJIG-NSHDSACASA-N 296.754 0.880 10 10 CCCE COC1(C(N)=O)CN(c2c(F)cc([C@H](C)O)cc2F)C1 2194520084 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COCCN(Cc1c(O)cccc1OC)C1CNC1 2104442515 MLUCZQMLUMZXPC-UHFFFAOYSA-N 266.341 0.821 10 10 CCCE O=C(N[C@H]1[C@H]2NCCCC[C@H]21)c1ccc(O)c(O)c1 2090516908 GUIVSKDGMDASQD-JIMOISOXSA-N 262.309 0.968 10 10 CCCE C[C@@H](N)c1ccc(N(C)[C@@H]2CC(=O)NC2=O)cc1O 2114736479 ASGXHAVKIGXYAC-GMSGAONNSA-N 263.297 0.263 10 10 CCCE COc1cc(N2C[C@H]3COC[C@@H](C2)C3O)ccc1CO 2204535841 JVPKSUUSCQVJMX-ODOQXGPZSA-N 279.336 0.631 10 10 CCCE Nc1ccc(NC(=O)CN2CC=CCC23CNC3)cc1 2207805726 HHVNGDRPABLUFP-UHFFFAOYSA-N 272.352 0.811 10 10 CCCE Oc1cccc(F)c1CN[C@@H]1CCC[C@H](O)[C@@H]1O 2217644194 YMRXVMJDCCOAQY-KGYLQXTDSA-N 255.289 0.895 10 10 CCCE CN(CCCN=[N+]=[N-])C(=O)c1nc[nH]c1C(=O)O 2218737134 FHWIOPSZIIVSHF-UHFFFAOYSA-N 252.234 0.880 10 10 CCCE Cn1ncc(S(=O)(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])n1 2218747593 XTZLMUWGRCXOQA-NKWVEPMBSA-N 271.306 0.325 10 10 CCCE COc1ccc(N2C[C@H](O)[C@H](O)[C@H]2CF)c(C)c1 2219581982 PWNZLFMSDCGHAP-FRRDWIJNSA-N 255.289 0.884 10 10 CCCE COC[C@@H]1[C@H](O)[C@@H](O)CN1c1ccc(OC2CC2)cc1 2235097934 AXSJXIKQGIBJFI-ILXRZTDVSA-N 279.336 0.785 10 10 CCCE COc1ccc(N2CC3(CNC(=O)N3C)C2)c(C=O)c1 2235989495 UEKIJHDHMDIQHB-UHFFFAOYSA-N 275.308 0.722 10 10 CCCE OCC1(CO)CCCN1c1ccc2c(c1)OCCO2 2226782340 XPXZWZUABMCFKD-UHFFFAOYSA-N 265.309 0.781 10 10 CCCE COc1ccc(N2C[C@H]3C[C@H]2[C@H](O)[C@@H]3O)c(CN)c1 2227680118 SDUPDOUZUNSALG-PCDDKUFXSA-N 264.325 0.084 10 10 CCCE C[C@H](NC1CC(O)(CO)C1)c1c(O)cccc1O 2256981744 IQKADCRJVJVZAU-BVDKZHGWSA-N 253.298 0.634 10 10 CCCE CSc1ncc(CNC[C@@H]2[C@@H]3NCCO[C@@H]32)s1 2248739920 VJSAJIGFSOMADI-KXUCPTDWSA-N 271.411 0.941 10 10 CCCE CNCc1ccc(N2CC(O)(CCO)C2)cc1OC 2270653546 BIZHJJGWNBCIRP-UHFFFAOYSA-N 266.341 0.348 10 10 CCCE CCN(C)C(=O)CNC(=O)C=Cc1ccc(O)c(O)c1 2309977896 SYUFHXSEKBPRQN-UHFFFAOYSA-N 278.308 0.706 10 10 CCCE CNCc1ccc(N2C[C@@H]3C[C@H]2[C@@H](O)[C@H]3O)c(Cl)c1 2329331306 ZSDVEKVIERGCSL-NZPIUUIZSA-N 282.771 0.990 10 10 CCCE NC[C@H]1C[C@@H]2CN(C(=O)c3ccc(O)c(O)c3)C[C@H]12 2330478737 BACOSBBABGNZMJ-GMTAPVOTSA-N 262.309 0.765 10 10 CCCE O=C1Nc2cc(N3C[C@@H]4C[C@@H](O)[C@H]3C4)ccc2[C@H]1O 2330789299 CEIKXALFFUJIJI-LFVLHPMWSA-N 260.293 0.632 10 10 CCCE CC(=O)N(C)CCN1CCc2cc(O)c(O)cc2C1 2341213262 DCMIMRPIGCXQEX-UHFFFAOYSA-N 264.325 0.934 10 10 CCCE NC(=O)CN(Cc1ccc(N)cc1)[C@H]1CCCCNC1=O 35366637 RQVRJAYFVUOSEU-ZDUSSCGKSA-N 290.367 0.225 10 10 CCCE CN(C)C1(C)CN(C(=O)c2cc(O)c(O)c(O)c2)C1 1148584903 ZLJBJAUZIZGDLJ-UHFFFAOYSA-N 266.297 0.580 10 10 CCCE Nc1ccc(NS(=O)(=O)CCCC(=O)O)cc1 42535185 AAPQODSCMFMKCQ-UHFFFAOYSA-N 258.299 0.875 10 10 CCCE C[C@@H](c1cc(O)ccc1O)N1CCNC(=O)[C@@H]1CC(=O)O 86815360 LCRTVJOWVHNNFD-KWQFWETISA-N 294.307 0.434 10 10 CCCE COC(=O)COC(=O)CCOc1ccc(N)cc1 41100740 MVOFRIGXQHXRLB-UHFFFAOYSA-N 253.254 0.754 10 10 CCCE COC(=O)[C@H](C)S(=O)(=O)NCc1ccccc1O 228425585 RITLSRLXRQWLNL-QMMMGPOBSA-N 273.310 0.373 10 10 CCCE CNC(=O)[C@H]1CCCCN1C(=O)COc1ccc(N)cc1 40325419 PTKVFJPZXQUZPJ-CYBMUJFWSA-N 291.351 0.775 10 10 CCCE CN(CCO)C(=O)/C=C\c1ccc(N2CCOCC2)cc1 254968720 QISBWAYVHCLBJL-DAXSKMNVSA-N 290.363 0.987 10 10 CCCE COc1ccc(N2CC[C@H](O)[C@@H](C(=O)O)C2)c(OC)c1 606600432 CXKCJUYKNYPDNF-JQWIXIFHSA-N 281.308 0.976 10 10 CCCE [N-]=[N+]=N[C@H](O)[C@@H]1O[C@H](OCc2ccccc2)C[C@@H](O)[C@@H]1O 381764658 MXHAQMCTKATYEI-KSSYENDESA-N 295.295 0.669 10 10 CCCE Nc1ccc(OCC(=O)N2C[C@@H]3C[C@H](C[C@@H]3O)C2)cc1 2163566552 XRHJDWXYMFNBIA-SUNKGSAMSA-N 276.336 0.877 10 10 CCCE CCN1CC[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1=O 802368350 QQWKVNPECSIYGJ-DUMNWFOQSA-N 290.319 0.848 10 10 CCCE CC(=O)C(=O)COC(=O)c1cc(C)nc2c1c(C)nn2C 808493678 MKHDDZCCKWKGQQ-UHFFFAOYSA-N 289.291 0.900 10 10 CCCE C[C@H]1[C@H](NS(=O)(=O)Cc2ccc(N)cc2)CCN1C 719429876 NLXUDVGOPJYEAI-GXFFZTMASA-N 283.397 0.781 10 10 CCCE CNN[S@]([O])(=O)=C1C=C(Br)S[C@H]1C 725598358 JPOCSKVVYCABLL-MDVLYZTRSA-N 286.196 0.799 10 10 CCCE CCN(C)C[C@H](O)CN1CCc2cc(CN)ccc21 2133390845 CJKZZCHNMMYRNV-AWEZNQCLSA-N 263.385 0.820 10 10 CCCE C[C@H](NC[C@@]1(CO)COCCN1C)c1c(O)cccc1F 903280737 WHJIOUHZCGNDNT-XHDPSFHLSA-N 298.358 0.875 10 10 CCCE Cc1ccc(C(=O)N2CCN(CCO)C[C@@H]2C)c(O)c1O 837192582 VMJYADNEXVYXGA-NSHDSACASA-N 294.351 0.545 10 10 CCCE COc1ccc(O)c(CNC(=O)[C@H](O)C2CCOCC2)c1 769543096 LTDONZYHYKOOBC-CQSZACIVSA-N 295.335 0.805 10 10 CCCE CN(C)c1ccc(CNC(=O)[C@H](O)c2cnc[nH]2)cc1F 865050266 CYZTZISMDZHVGQ-CYBMUJFWSA-N 292.314 0.965 10 10 CCCE Nc1ccc(CS(=O)(=O)NCCCNC2CC2)cc1 1876454657 WIBVRFKXNCACCD-UHFFFAOYSA-N 283.397 0.830 10 10 CCCE CCN(C(=O)COc1ccc(N)cc1)[C@H]1CCNC1 1876450858 HPAMFKPDPCCXGB-LBPRGKRZSA-N 263.341 0.858 10 10 CCCE C[C@H]1C[C@@H](N)CCN1S(=O)(=O)Cc1ccc(N)cc1 1876541737 CZMVJQUBJXLVNS-GWCFXTLKSA-N 283.397 0.910 10 10 CCCE Cc1ccc(C(=O)NC2(CC(N)=O)CCC2)c(O)c1O 780968866 IVGRNSYDUOEILO-UHFFFAOYSA-N 278.308 0.934 10 10 CCCE CN(Cc1ccccc1O)c1cc(NN)[nH]c(=N)n1 1877517671 LQGMOUSIFMCZHM-UHFFFAOYSA-N 260.301 0.517 10 10 CCCE CO[C@H]1CN[C@H](C(=O)N[C@@H](C)c2ccccc2O)C1 1877585213 KGEMTOCUHOOSSI-UMNHJUIQSA-N 264.325 0.946 10 10 CCCE Cn1ncnc1C1(O)CN(Cc2ccccc2O)C1 895621246 XMSQWAJXWQQZBY-UHFFFAOYSA-N 260.297 0.224 10 10 CCCE CN(Cc1ccccc1O)C(=O)c1ccc2c(c1)COB2O 1137345531 MUHMBEKDKXKHRJ-UHFFFAOYSA-N 297.119 0.882 10 10 CCCE COCCOCCNC(=O)Cc1ccc(O)c(O)c1 1142203071 YOHXKLSILGCCAD-UHFFFAOYSA-N 269.297 0.420 10 10 CCCE COC(=O)/C=C/[C@H](C)NC(=O)c1cccc(O)c1O 1159782642 HRPSOFSFSMFVPA-CZEYKFRCSA-N 265.265 0.945 10 10 CCCE O=C(O)C1([C@@H]2NCCc3c2cc(O)c(O)c3O)CC1 75819363 FXJQHNGVUWRSST-LLVKDONJSA-N 265.265 0.855 10 10 CCCE CN(C)c1ccc(-c2nccn2C[C@@H](O)CO)cc1 82736871 ZJAARYOILAZCLK-CYBMUJFWSA-N 261.325 0.969 10 10 CCCE CN(C)CCN(CCO)C(=O)c1cccc(O)c1O 1963791129 WITXXTZMKLLSOX-UHFFFAOYSA-N 268.313 0.094 10 10 CCCE CNC(=O)CNCc1c(O)cccc1Br 706842386 DOCCIGMPMGUMBK-UHFFFAOYSA-N 273.130 0.990 10 10 CCCE CCn1cc([C@H](NCCCN=[N+]=[N-])C(=O)OC)nn1 714416433 HHIVYSWSQUEACD-VIFPVBQESA-N 267.293 0.802 10 10 CCCE CCn1nnnc1COC(=O)CCc1ccc(N)cc1 698167755 QPUMQMMAEQCOGM-UHFFFAOYSA-N 275.312 0.951 10 10 CCCE O=C1CC[C@@H]2[C@H]1[C@@H]2C(=O)NCc1cccc(O)c1O 1350316502 YHMBZWXECNFUGU-GGZOMVNGSA-N 261.277 0.939 10 10 CCCE COCCOCC(=O)NCc1cc(O)ccc1O 1455357892 WSCNEHLQVLNXTB-UHFFFAOYSA-N 255.270 0.377 10 10 CCCE O=C(NCc1cc(O)ccc1O)c1nsnc1O 1455355871 URYKUPLTOULVNY-UHFFFAOYSA-N 267.266 0.585 10 10 CCCE COc1ccc2c(c1)S(=O)(=O)C[C@H](CC(=O)O)N2C 211110899 SBYLCLHWZLVMBY-QMMMGPOBSA-N 285.321 0.762 10 10 CCCE Cc1ccc(O)c([C@H](NCCN(C)C)C(=O)O)c1 211724188 QQJPXKRKRGCOSN-LBPRGKRZSA-N 252.314 0.978 10 10 CCCE COCC[C@@H](COC)NC(=O)Cc1ccc(O)c(O)c1 1556889009 SZPVQBPGZROPEE-NSHDSACASA-N 283.324 0.808 10 10 CCCE NC(=O)N=Nc1ccc(C(=O)N2CC(CO)C2)cc1 1632668971 VGMWFFFURAAWNM-UHFFFAOYSA-N 262.269 0.913 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCN(CCN2C(=O)CCC2=O)C1 1912157035 PWJUKIKBTYIZTI-VIFPVBQESA-N 251.290 0.768 10 10 CCCE [N-]=[N+]=NCCCCN1CC(=O)N2CCC[C@@H]2C1=O 1912156157 SMYOVYNDEBZLFW-SECBINFHSA-N 251.290 0.910 10 10 CCCE [N-]=[N+]=N[C@@H]1CCN(CC(=O)NC2CCOCC2)C1 1912205690 GUCJBCXQLQBFFR-SNVBAGLBSA-N 253.306 0.666 10 10 CCCE CN(C)c1ccc(CNc2cnnc(NN)n2)cc1 2127954171 NMSFPKHFPKLCRP-UHFFFAOYSA-N 259.317 0.835 10 10 CCCE Oc1ccc(CN2CCO[C@H]3CCNC[C@H]32)c(O)c1 2129070520 DYUZSTKDRCTZEF-OCCSQVGLSA-N 264.325 0.661 10 10 CCCE Cc1cc(N2CCN3CCOC[C@H]3C2)ccc1CN 2129377676 HDSWSAJFDYDMFA-OAHLLOKOSA-N 261.369 0.975 10 10 CCCE CC(C)CC1(O)CN(C(=O)c2cc(O)nc(O)c2)C1 2131832171 HWIBKMNEGSEUPD-UHFFFAOYSA-N 266.297 0.726 10 10 CCCE COC[C@H]1C=CCN1C(=O)c1cc(O)c(O)c(O)c1 2132403080 HOJGNAHRSRGWNL-SECBINFHSA-N 265.265 0.830 10 10 CCCE O=C(NC[C@@H](F)C1CNC1)c1cc(O)c(O)c(O)c1 2132414384 WRGAVMPKXPNTOT-MRVPVSSYSA-N 270.260 0.091 10 10 CCCE NC(=S)[C@H]1CCCN1C(=O)c1cc(O)c(O)c(O)c1 2132400187 KZEFSZOUUCVHMJ-SSDOTTSWSA-N 282.321 0.694 10 10 CCCE CO[C@@H]1C[C@@H]2C[C@@](NCCCN=[N+]=[N-])(C(N)=O)C[C@@H]21 2133892179 QHLAULKCIDXPKW-KLBPJQLPSA-N 267.333 0.945 10 10 CCCE C[C@H](O)C1(NS(=O)(=O)Cc2ccc(N)cc2)CC1 1913492544 OLDLFNVXLQWSTK-VIFPVBQESA-N 270.354 0.602 10 10 CCCE CCCC1(NC(=O)c2cc(O)c(O)c(O)c2)CNC1 2134158560 DWKGAALXUPDPJI-UHFFFAOYSA-N 266.297 0.675 10 10 CCCE COc1ccc(O)c(CNC2CN(C(N)=O)C2)c1 1917779825 YMHZWSBMUFGTBO-UHFFFAOYSA-N 251.286 0.253 10 10 CCCE COCC[S@@](C)(=O)=NC(=O)c1ccc(O)c(O)c1 1918024557 UOSQZUFLSUZGFF-GOSISDBHSA-N 273.310 0.982 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)[C@@H]1C[C@H]2CNC[C@@H]21 1968739150 LOLMHARSPSDOPS-TUAOUCFPSA-N 276.336 0.612 10 10 CCCE NC[C@@H]1C[C@H](F)CN1C(=O)Cc1ccc(O)c(O)c1 1923567100 JWUXLFHZAFWOOC-UWVGGRQHSA-N 268.288 0.538 10 10 CCCE C[C@@H](c1ccc(O)cc1O)N(CC(N)=O)CC(=O)O 2136343343 XEJVXUZIXFXXAF-ZETCQYMHSA-N 268.269 0.031 10 10 CCCE COC[C@](C)(CO)CNC(=O)COc1ccc(N)cc1 1926946705 CGYVWMFURKILSY-AWEZNQCLSA-N 282.340 0.409 10 10 CCCE CC(C)(NC(=O)[C@H]1CNc2ccccc2N1)C(N)=O 229880128 IMUSOELOHGMOFW-SNVBAGLBSA-N 262.313 0.273 10 10 CCCE CNC(=O)[C@H]1CCCN1c1ccc(CN)c(OC)c1 2139702207 HTUQQCQUCHCZEZ-GFCCVEGCSA-N 263.341 0.869 10 10 CCCE CNC[C@H]1CN(C(=O)c2cccc(O)c2O)CCO1 126714353 NKQFVGNYVMLJBT-VIFPVBQESA-N 266.297 0.158 10 10 CCCE CO[C@@H]1CN(c2ccc3c(c2)N(C)C(=O)[C@H]3O)C[C@H]1F 2146473238 IHVFYJNNMOZJCH-RTXFEEFZSA-N 280.299 0.870 10 10 CCCE Cn1cc(COC(=O)CCOc2ccc(N)cc2)nn1 236090256 ZCZRUYSJEFXUBM-UHFFFAOYSA-N 276.296 0.910 10 10 CCCE O=C1C[C@H](NCc2cccc(Cl)c2O)C(=O)N1 1947012221 NLASGDHWZIFOAP-QMMMGPOBSA-N 254.673 0.550 10 10 CCCE CCOC(=O)[C@H](N)[C@H](Cc1ccc(O)c(O)c1)OC 1952305584 AMHWOESQFYADKW-NWDGAFQWSA-N 269.297 0.546 10 10 CCCE CCOC(=O)C1(N)CC(c2ccc(O)c(O)c2O)C1 1952552217 QDFMYFLQXSVXFP-UHFFFAOYSA-N 267.281 0.941 10 10 CCCE CN1CCN[C@@H](c2c(O)cccc2[N+](=O)[O-])C1=O 1952655081 CHMJIJVFNDQEAS-JTQLQIEISA-N 251.242 0.403 10 10 CCCE CCc1nc(=NC(=O)Cc2ccc(N)cc2)n(C)[nH]1 1970993475 KVMMLSTVLGTOGI-UHFFFAOYSA-N 259.313 0.563 10 10 CCCE CN(C[C@@H]1COCCO1)C(=O)COc1ccc(N)cc1 2143685186 HBDAFRMIXVGOJM-CYBMUJFWSA-N 280.324 0.521 10 10 CCCE CC(=O)c1ccc(O)c(CN2CCOC[C@@H]2C(N)=O)c1 159003215 PIBJLGZAVVOFGF-GFCCVEGCSA-N 278.308 0.281 10 10 CCCE COc1cc(N)c(N2C[C@H]3OCCO[C@@H]3C2)cc1OC 2149772217 UKIJHIDSQNDDHG-ZIAGYGMSSA-N 280.324 0.890 10 10 CCCE CN1CCC[C@@H]([C@@H](O)CCc2ccc(N)cc2)S1(=O)=O 2145777576 KTIWKCRLQODPKG-KBPBESRZSA-N 298.408 0.986 10 10 CCCE C[C@@H](C(=O)Nc1ccc(N)cc1)N1C[C@@H](O)C(F)(F)C1 2152098026 ITGLYLVXHCSRRU-GZMMTYOYSA-N 285.294 0.908 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CC2(CC2)CN1 2152459257 VPCNDFABODIEJA-NSHDSACASA-N 276.336 0.899 10 10 CCCE C[C@@H]1[C@H](O)CN1S(=O)(=O)Cc1ccc(N)cc1 2011377111 ZULOWTAWICVGNK-LDYMZIIASA-N 256.327 0.164 10 10 CCCE O=S1(=O)CC[C@H]2CN(c3ccc(CO)cc3)C[C@@H]21 2028402166 IWQODMNGQRQOPS-AAEUAGOBSA-N 267.350 0.802 10 10 CCCE C[C@H](N)c1ccc(N2CC[C@](O)(C(N)=O)C2)cc1Cl 311423911 LGRPIUSNRACNFS-ISVAXAHUSA-N 283.759 0.786 10 10 CCCE CNC(=O)C[C@H](C)NC(=O)[C@@H]1CNc2ccccc2N1 323016447 PTXFBQSBSVJMFY-CABZTGNLSA-N 276.340 0.533 10 10 CCCE COc1cccc(O)c1CN1C[C@@H](C(N)=O)C[C@@H](N)C1 2160728072 GOEHFHRUZXHTMW-VHSXEESVSA-N 279.340 0.035 10 10 CCCE NCc1ccc(N(CC(CO)(CO)CO)C2CC2)cc1 2179745062 JDGFCXGECXXDSS-UHFFFAOYSA-N 280.368 0.077 10 10 CCCE Nc1ccc(OCC(=O)N[C@@]23COC[C@H]2C3(F)F)cc1 2161873114 YWYVNEUNGWOGDT-PWSUYJOCSA-N 284.262 0.798 10 10 CCCE Nc1ccc(OCC(=O)N[C@]23COC[C@H]2C3(F)F)cc1 2161873115 YWYVNEUNGWOGDT-ZYHUDNBSSA-N 284.262 0.798 10 10 CCCE COc1ccc(CNC[C@](C)(CO)OC)c(O)c1 702515288 PPVHFNJOXUJBPJ-CYBMUJFWSA-N 255.314 0.888 10 10 CCCE NS(=O)(=O)CCNCc1ccc(F)c(F)c1O 703275301 RRQKLTBHGZUEQY-UHFFFAOYSA-N 266.269 0.049 10 10 CCCE CC[C@H]1CNCCN1C(=O)c1cccc(O)c1O 704558451 WJTKAEFICVWFDM-VIFPVBQESA-N 250.298 0.922 10 10 CCCE CCNCc1ccc(N2CC(C(=O)NC)C2)c(C#N)c1 382072233 XSXDCIJIVHHCET-UHFFFAOYSA-N 272.352 0.850 10 10 CCCE CCNCCS(=O)(=O)Nc1ccc(O)c(F)c1 722226894 WJIMWIMVUDXQBW-UHFFFAOYSA-N 262.306 0.883 10 10 CCCE Nc1ccc(N2CCN(CC3(CO)COC3)C2=O)cc1 384519099 WMIRIIPZPNRABP-UHFFFAOYSA-N 277.324 0.520 10 10 CCCE CN1CCc2cc(CN[C@]3(CO)CCOC3)ccc21 393910331 XWHZTOXKUOMAFK-HNNXBMFYSA-N 262.353 0.920 10 10 CCCE O=C(N[C@@H]1CC[C@]12C[C@H]2C(=O)O)c1cc(O)nc(O)c1 2172492754 JTQOWVNUZRICLT-HHURGBBESA-N 278.264 0.476 10 10 CCCE COCC1(C(=O)O)CN(Cc2cccc(OC)c2O)C1 2169141055 VDDFNLAXOLLZPE-UHFFFAOYSA-N 281.308 0.934 10 10 CCCE COc1ccc(O)c(CN[C@@H]2CCN(C3COC3)C2)c1 2169579903 UBCVPPDUTKGDNN-GFCCVEGCSA-N 278.352 0.964 10 10 CCCE Oc1cccc(CNC2CC(O)(C3(O)CCC3)C2)c1O 2182234190 UKKJDDVKRPNCJF-UHFFFAOYSA-N 279.336 0.996 10 10 CCCE O=C(N[C@@H]1CCCCNC1=O)c1cc(O)c(O)c(O)c1 2188875944 WMSOUPMMNJGNPA-MRVPVSSYSA-N 280.280 0.202 10 10 CCCE C[C@]1(C(=O)O)CCCN1C(=O)c1cc(O)c(O)c(O)c1 2188868807 XHBAXVOBWWPLRK-CYBMUJFWSA-N 281.264 0.883 10 10 CCCE C[C@@H]1[C@H]2CNC[C@@H]2CN1C(=O)c1cc(O)c(O)c(O)c1 2188924850 SXXICZFDJVNTEP-SZEHBUNVSA-N 278.308 0.483 10 10 CCCE O=C(N[C@]12CCCNC[C@@H]1C2)c1cc(O)c(O)c(O)c1 2188927806 HJPOSMKYIQQKNR-XPTSAGLGSA-N 278.308 0.675 10 10 CCCE NCc1ccc(N2CC[C@@H](O)[C@@H](O)C2)c(Cl)c1 1909040503 RDLQPGIRVFGUCJ-NEPJUHHUSA-N 256.733 0.731 10 10 CCCE O=C1CC[C@H](NCc2c(O)cccc2F)C(=O)N1 2042632752 KMSNWGYXGUGBNW-VIFPVBQESA-N 252.245 0.426 10 10 CCCE COc1cccc(O)c1CN[C@@H]1C[C@@H](O)C[C@@H]1O 2046488723 RGTGILIFVBWVNG-UISBYWKRSA-N 253.298 0.375 10 10 CCCE O=C(C[C@H]1CCN1)NCCc1ccc(O)c(O)c1 2047030905 UCRSNBWMIWLUAT-SNVBAGLBSA-N 250.298 0.509 10 10 CCCE Cc1cccc(O)c1CNC1[C@@H]2CS(=O)(=O)C[C@@H]12 2054278546 QOVFRUDIFSJZTM-GHMZBOCLSA-N 267.350 0.833 10 10 CCCE O=S1(=O)C[C@H](O)[C@@H](NCc2cc(Cl)ccc2O)C1 2057714160 PEZIOVFJEFYAMD-ONGXEEELSA-N 291.756 0.293 10 10 CCCE COCCCNC(=O)CN1CCC[C@@H]1CN=[N+]=[N-] 2059061023 VJRGNYSRYSTQNK-SNVBAGLBSA-N 255.322 0.914 10 10 CCCE C[C@H](N)c1cc(F)c(N2CC(OCC(N)=O)C2)c(F)c1 2194701777 HNKQWYMAQWXNIB-ZETCQYMHSA-N 285.294 0.675 10 10 CCCE Nc1ccc(OCCS(=O)(=O)N[C@H]2C[C@@H]2F)cc1 2068066288 MLWNVNYLTYDANN-QWRGUYRKSA-N 274.317 0.677 10 10 CCCE CCN(C[C@H](C)O)C(=O)c1cc(O)c(O)c(O)c1 2068575963 GIKPVJBKVWDKLA-ZETCQYMHSA-N 255.270 0.646 10 10 CCCE NC[C@H]1C=CCN1C(=O)c1cc(O)c(O)c(O)c1 2068617777 LPHIEKJHSKTZRO-MRVPVSSYSA-N 250.254 0.143 10 10 CCCE Nc1ccc(CC(=O)N(CCO)C[C@@H]2CCCN2)cc1 2191672023 VKYCAMUZWPSXJT-AWEZNQCLSA-N 277.368 0.384 10 10 CCCE NCCc1nc(NC(=O)CCc2ccc(N)cc2)n[nH]1 2191887247 HXVQCMAMPPGAGW-UHFFFAOYSA-N 274.328 0.459 10 10 CCCE O=C(NCc1ccccc1O)[C@@H]1C[C@H]2NCCO[C@@H]2C1 2199856658 UHARMIYKOWWETN-YRGRVCCFSA-N 276.336 0.775 10 10 CCCE COc1ccc(N2CC[C@@H](O)[C@](C)(O)C2)c(N)c1 2081721793 UDRXPDFBPOJODB-CHWSQXEVSA-N 252.314 0.599 10 10 CCCE Oc1cccc(F)c1CNC[C@H]1CN2CCN1CC2 2104476751 PPKGEBUDXUOIAP-NSHDSACASA-N 265.332 0.621 10 10 CCCE CN(C)c1ccc2c(c1)OCCN2[C@@H]1COC[C@@H]1O 2087168887 KVLORWNAYFOYIC-OLZOCXBDSA-N 264.325 0.711 10 10 CCCE C[C@@H](CN)CS(=O)(=O)NCCc1ccc(O)c(O)c1 2110034798 JVACJFMEBFAQRY-VIFPVBQESA-N 288.369 0.155 10 10 CCCE CNCc1ccc(N2C[C@H](O)[C@H](N(C)C)C2)cc1C 2089923998 SDZSOSRRWUMICX-CABCVRRESA-N 263.385 0.826 10 10 CCCE Nc1ccc(CCC(=O)N[C@@H]2COC[C@H]2CO)cc1 2090321133 JKOPPQRBQKSQTN-DGCLKSJQSA-N 264.325 0.325 10 10 CCCE CN([C@H]1CCN(Cc2ccc(N)cc2)C1)S(C)(=O)=O 2090792969 MWSJSIMFBPQMGV-ZDUSSCGKSA-N 283.397 0.735 10 10 CCCE CO[C@@H]1CN(C)C[C@@H]1NC(=O)Nc1ccc(N)cc1 2095440947 BYZHIHXGHGLTKD-NWDGAFQWSA-N 264.329 0.719 10 10 CCCE CCOc1cccc(CN[C@H](C)CS(N)(=O)=O)c1O 2096640941 AWOMYNJDPCUMGN-SECBINFHSA-N 288.369 0.558 10 10 CCCE [N-]=[N+]=N[C@@H]1CCCN(CC(=O)N2CCNC2=O)CC1 2099335409 YPKJCFMCTAGNSS-SECBINFHSA-N 266.305 0.703 10 10 CCCE COc1cc(N2C[C@@H]3CCS(=O)(=O)[C@H]3C2)ccc1CO 2204549925 LIDWKGLQNDBGBT-HZMBPMFUSA-N 297.376 0.811 10 10 CCCE Cc1cccc(CNS(=O)(=O)c2cn(C)[nH]c2=N)c1O 2204629674 MSIHEASKIVOLTQ-UHFFFAOYSA-N 296.352 0.325 10 10 CCCE COc1ccc(N2CCOC[C@H](O)C2)c(C=O)c1 2220422441 ZIRNODCROHTZDI-LLVKDONJSA-N 251.282 0.705 10 10 CCCE Cc1cc([C@H](C)N)ccc1N1C[C@H](O)[C@H](O)[C@@H]1CF 2232026933 FVIIMJNUDJBVRY-NZPIUUIZSA-N 268.332 0.895 10 10 CCCE COc1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CF)c(OC)c1 2226812233 WCKBEBBYWDQKAZ-GVXVVHGQSA-N 271.288 0.584 10 10 CCCE [N-]=[N+]=N[C@H]1CCN(S(=O)(=O)C2CC3(C2)OCCO3)C1 2246019837 UOMGYRYIIVQXDR-QMMMGPOBSA-N 288.329 0.606 10 10 CCCE COc1ccc(N2C[C@H](O)C[C@@H]2CO)c(OC)c1C 2277990322 BRWFEUOPJFWANQ-GHMZBOCLSA-N 267.325 0.944 10 10 CCCE O=C(O)C1CN(C2CN(Cc3ccccc3O)C2)C1 2268889030 GTILRAABSATPEV-UHFFFAOYSA-N 262.309 0.593 10 10 CCCE Cc1cc(N2C[C@@H]3C(=O)NC(=O)[C@H]3C2)ccc1[C@H](C)O 2285150129 SKEMMERNLGVOOJ-XDTLVQLUSA-N 274.320 0.757 10 10 CCCE CN1C(=O)[C@@H](O)c2ccc(N3C[C@@H]4C[C@H](C3)[C@H]4O)cc21 2286229113 RBMNSELBYHBVGS-WAYYCVMKSA-N 274.320 0.513 10 10 CCCE NCc1ccc(N2CC3(CNC(=O)CO3)C2)c(F)c1F 2289815159 GAAJWKANNDSNRQ-UHFFFAOYSA-N 283.278 0.129 10 10 CCCE CN1C(=O)C(=CNc2ccc(F)cc2)C(=O)NC1=S 2297366279 BTGXJIPOLCSVOJ-UHFFFAOYSA-N 279.296 0.995 10 10 CCCE N[C@@H]1COC[C@@H]1N1CCc2cc(O)c(O)cc2C1 2318666196 WGORSYLNLXQYIK-MNOVXSKESA-N 250.298 0.182 10 10 CCCE O=C(N[C@H]1C[C@@H](C(=O)O)[C@@H]2C[C@H]12)c1cc(O)nc(O)c1 2354893862 QBPAJSRZGPZPDC-XAVMHZPKSA-N 278.264 0.332 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC1(CO)CCCC1 53071972 OWZDSECFRHRBAH-NSHDSACASA-N 294.351 0.389 10 10 CCCE C[C@@H]1CO[C@@H](CO)CN1c1ccc(CN)c(F)c1 135230784 MXUOMNXJUQWEQD-BXKDBHETSA-N 254.305 0.870 10 10 CCCE CSc1ncc(CNCC2(N)CC(O)C2)s1 2243857444 SYRJHOMFNXXGBK-UHFFFAOYSA-N 259.400 0.807 10 10 CCCE C[C@H]1C(=O)NCCN1c1c(F)cc(CN)cc1F 113212890 IPNVCKBKJKJSEK-ZETCQYMHSA-N 255.268 0.748 10 10 CCCE O=C1Nc2cc(N3CC[C@@H](O)[C@@H](O)C3)c(Cl)cc2[C@@H]1O 2356917932 DJPWVGAQTRFYPY-WOPDTQHZSA-N 298.726 0.257 10 10 CCCE COc1ccc([C@@H](C)N[C@@H]2CNC(=O)C2)c(O)c1 228994170 USEFGQFZWBNJIL-BDAKNGLRSA-N 250.298 0.940 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@H]2CCN3CCC[C@H]23)cc1 49563828 KTOYGSPYNUNJEG-UONOGXRCSA-N 295.408 0.925 10 10 CCCE C[C@@H](N[C@@H]1CCN(C)C1=O)c1ccc(O)cc1O 230226932 JNGFMMGGAFOHTM-LDYMZIIASA-N 250.298 0.979 10 10 CCCE NC(=O)COCCNCc1ccc2c(c1)CCO2 230049266 KZRXBZZBGWOZEH-UHFFFAOYSA-N 250.298 0.213 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3C[C@@H](CO)OC[C@H]3C)ccc21 251631386 FLFMZKWSYKZVQX-PUYPPJJSSA-N 291.351 0.485 10 10 CCCE CN1C[C@@](O)(CCN)c2cc3c(cc21)OCCO3 527415239 BGDNUBFHFNLAEV-ZDUSSCGKSA-N 250.298 0.444 10 10 CCCE Cc1ccc(O)c(CN2CC[C@@]3(C2)NC(=O)NC3=O)c1 371315803 WSRFVNCOFDRPJA-AWEZNQCLSA-N 275.308 0.485 10 10 CCCE CCCC(=O)N1CCCC[C@@H]1C(=O)OCC(=O)C(C)=O 808507175 BVGZFTAJJDBQSW-LLVKDONJSA-N 283.324 0.869 10 10 CCCE CC(=O)C(=O)COC(=O)[C@@H](C)n1nnnc1C(C)(C)C 808536347 PKZKBTPTHOXUPR-SSDOTTSWSA-N 282.300 0.233 10 10 CCCE CN(C)c1ccc([C@@H](N)[C@@](C)(O)c2ncnn2C)cc1 2163137430 CQUWSZGZAJOEMD-TZMCWYRMSA-N 275.356 0.789 10 10 CCCE CCN(C)c1ccc(CN2CC[C@](O)(C(N)=O)C2)cc1 815099939 IXGQAHKDDYSMDZ-OAHLLOKOSA-N 277.368 0.565 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3CCS[C@@H](CO)C3)ccc21 720040616 PTGJLARYPKSJGF-BXKDBHETSA-N 279.365 0.553 10 10 CCCE NC[C@H]1COCCN1C(=O)CCc1ccc(N)cc1 1876440040 QTDDUHFYKQRHOK-ZDUSSCGKSA-N 263.341 0.388 10 10 CCCE CON(C(=O)Cc1ccc(N)cc1)C1CCNCC1 1876420606 QDFVVBXNHPZJFB-UHFFFAOYSA-N 263.341 0.953 10 10 CCCE NCc1ccc(N2C[C@H]3C[C@H]2CN3C(N)=O)cc1F 1877073304 DWZSJZKTMJRSJQ-WDEREUQCSA-N 264.304 0.626 10 10 CCCE C[C@@H](NC(=O)[C@H]1C[C@@](O)(CN)C1)c1ccccc1O 1877588001 HPTUEJAOUXWQGF-GPCCPHFNSA-N 264.325 0.669 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@@H]3COCC[C@H]32)cc1 1878813882 UVCDFKJXSIXBJZ-DGCLKSJQSA-N 282.365 0.819 10 10 CCCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(O)ncn1 1138152697 NLNUIDOVBVYFDB-QMMMGPOBSA-N 289.291 0.954 10 10 CCCE O=C(COC[C@@H]1CCCO1)NCc1c(O)cccc1O 1156881316 YIBJJISVEPETQC-JTQLQIEISA-N 281.308 0.910 10 10 CCCE CCn1ncc(C(=O)NCc2c(O)cccc2O)n1 1304053442 KZFMHYXZVIROLL-UHFFFAOYSA-N 262.269 0.639 10 10 CCCE CC(C)(C)OC(=O)NC[C@@H](CO)C(=O)N1CC(N=[N+]=[N-])C1 1887271454 LRCVUPKVBYEUIL-QMMMGPOBSA-N 299.331 0.641 10 10 CCCE CNCc1nnc([C@@H](N)c2ccc(O)c(O)c2)o1 83382241 AYTCXKODXCZARQ-JTQLQIEISA-N 250.258 0.248 10 10 CCCE CC[C@H](CO)NCc1cc(O)c(O)c([N+](=O)[O-])c1 83414049 JXSIWBYRTXBDNF-MRVPVSSYSA-N 256.258 0.867 10 10 CCCE Nc1ccc(CC(=O)N2CCC[C@H](CO)[C@H]2CO)cc1 709838313 UVLLLDAMNFOTTF-TZMCWYRMSA-N 278.352 0.403 10 10 CCCE CN1CCN(c2ccc(CO)cc2F)CCC1=O 688897818 FTMMMLRLXDRKFO-UHFFFAOYSA-N 252.289 0.987 10 10 CCCE COC[C@H](COC(=O)COc1ccc(N)cc1)OC 710694278 JBCZCMNBRWATFB-GFCCVEGCSA-N 269.297 0.852 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC[C@H]2C[C@H]2C1 699222062 CGNOBGPUMKHFGK-SRVKXCTJSA-N 276.336 0.836 10 10 CCCE C[C@@H]1CN(CC(=O)Nc2ccc(N)cc2)CC[S@@]1=O 2115329890 VORCPJVIRDDKCW-DGIBIBHMSA-N 281.381 0.660 10 10 CCCE CN(C1COC1)C1CN(c2ccc(CO)cc2F)C1 2116488397 RTZFXJRALWZEFG-UHFFFAOYSA-N 266.316 0.837 10 10 CCCE Nc1ccc(N2CCN(C(=O)C3COC3)CC2)cc1 2119980877 USXZXGPOZUMRCZ-UHFFFAOYSA-N 261.325 0.564 10 10 CCCE CC(C)(NC(=O)c1ccc(O)c(O)c1)[C@@H](O)C(=O)O 2120355957 TXDJWPZUGWIASH-VIFPVBQESA-N 269.253 0.052 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@H](CO)c1ncc[nH]1 1472107858 PYQOJQLVXXUYHS-SECBINFHSA-N 277.280 0.213 10 10 CCCE CNC(=O)C1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 1611232377 DYKJNUCAKGNBTR-UHFFFAOYSA-N 289.295 0.667 10 10 CCCE O=C(NCCc1cnccn1)c1c(F)ccc(O)c1O 1641427363 ADHDNVXBRMPIPM-UHFFFAOYSA-N 277.255 0.999 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H](CCO)C1CC1 1631667598 VEJXZKSIJNNDBP-NSHDSACASA-N 265.309 0.918 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3CCC[C@H]3CO)ccc21 250773411 VMHUSBGBINOBIJ-GWCFXTLKSA-N 261.325 0.860 10 10 CCCE OC[C@]1(O)CCCN(c2ccc3c(c2)CC[C@H]3O)C1 2128321026 HVRIHDUEWCMUEJ-CABCVRRESA-N 263.337 0.990 10 10 CCCE O=C1CO[C@H]2CCN(c3ccc(CO)cc3)C[C@@H]2N1 2129061992 UBXCDBODKCMAMN-STQMWFEESA-N 262.309 0.273 10 10 CCCE C[C@@H]1C[C@@H]1N(CCO)C(=O)c1cc(O)c(O)c(O)c1 2132349131 ZFQACSBPTARBFS-APPZFPTMSA-N 267.281 0.646 10 10 CCCE C[C@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)C[C@H]1O 2132348627 PFVCNROYLHTRGN-WRWORJQWSA-N 267.281 0.646 10 10 CCCE CN1CCN(CC2=C[C@H](O)[C@@H](N)C2)c2cnccc21 2131468698 HUXRJJOHQJLFCC-FZMZJTMJSA-N 260.341 0.356 10 10 CCCE N[C@@H]1C[C@@H]2CN(C(=O)c3cc(O)c(O)c(O)c3)C[C@H]21 2132418391 JRHCXYFAUQEAOJ-IWSPIJDZSA-N 264.281 0.223 10 10 CCCE CN(C)CCN(C)C[C@@H](O)COc1ccc(N)cc1 111129921 ZUGRTBRVRXNMMX-CYBMUJFWSA-N 267.373 0.502 10 10 CCCE NC(=O)C1[C@H]2CN(c3ccc4c(c3)CC[C@@H]4N)C[C@H]12 2136611246 DSHOLQXUELJHPP-AVGNSLFASA-N 257.337 0.800 10 10 CCCE C[S@@](=O)(=NC(=O)c1cccc(O)c1O)C1CNC1 1924618560 USKFWFDUKMWSTN-SFHVURJKSA-N 270.310 0.308 10 10 CCCE C[C@@H]1CS(=O)(=O)CCN1Cc1cc(N)ccc1O 228729151 OLNQUJLKPNZJPT-SECBINFHSA-N 270.354 0.593 10 10 CCCE CN(C)CCCNC(=O)[C@@H]1CNc2ccccc2N1 229875948 SGQMWRUOCZKFPQ-ZDUSSCGKSA-N 262.357 0.961 10 10 CCCE CC(=O)C(=O)[C@]1(O)CC[C@H]1CNC(=O)OC(C)(C)C 1953770551 KLMNVKCILZBLFJ-ZANVPECISA-N 271.313 0.810 10 10 CCCE O=C(O)C[C@H]1COCC(=O)N1Cc1ccccc1O 257924629 BACYSJBFHKMHJP-JTQLQIEISA-N 265.265 0.594 10 10 CCCE COc1cc(C(=O)O)cc([C@H](N)CC(=O)O)c1O 258379701 LRYPZDBAMACNAM-SSDOTTSWSA-N 255.226 0.574 10 10 CCCE CO[C@@H]1CNCC[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 2146724747 LUCRAAJARRVZNN-GXFFZTMASA-N 280.324 0.133 10 10 CCCE COc1ccc(CN2CC[C@H]3C(=O)NC[C@@H]3C2)c(O)c1 2157180075 QSHVFOCSFYCGNS-DGCLKSJQSA-N 276.336 0.969 10 10 CCCE Oc1c(F)cc(F)cc1CNC[C@@H]1COC[C@@H]1O 2036575709 GCQPPDGMLGIMMY-KCJUWKMLSA-N 259.252 0.767 10 10 CCCE Oc1ccc(CNC[C@@H]2C[C@@H](O)CCO2)cc1O 2036675225 LPQVHSYUDJIOJY-QWRGUYRKSA-N 253.298 0.727 10 10 CCCE CC[C@H](CO)CNC(=O)COc1ccc(N)cc1 2036786194 MQKIEMVFHHZPDU-JTQLQIEISA-N 252.314 0.782 10 10 CCCE CNCc1cc(F)c(N2C[C@H](O)[C@@H]3COC[C@H]32)c(F)c1 2158391810 GXKYDYHPSCMUQU-WQAKAFBOSA-N 284.306 0.880 10 10 CCCE OCC[C@@H](CO)NCc1cccc(Br)c1O 309555184 HIWCWBKJRYEPRQ-VIFPVBQESA-N 290.157 0.988 10 10 CCCE NC[C@@]1(CNC(=O)c2cccc(O)c2O)CCCOC1 700952151 ZWHFEJRQTIVOEJ-CQSZACIVSA-N 280.324 0.583 10 10 CCCE CCN(CCN(C)S(C)(=O)=O)c1ccc(CN)cc1 706597442 REJPWNMMJPKMOE-UHFFFAOYSA-N 285.413 0.863 10 10 CCCE C[C@@H](CNC(=O)Nc1ccc(N)cc1)c1nn[nH]n1 392458909 HVYGTVOPKJEDQF-ZETCQYMHSA-N 261.289 0.707 10 10 CCCE CCOC1CN(S(=O)(=O)Cc2ccc(N)cc2)C1 383334420 FWPIZJLBXLTWMU-UHFFFAOYSA-N 270.354 0.819 10 10 CCCE CNCc1ccc(N2CCC[C@](O)(C(N)=O)C2)c(Cl)c1 383620026 GGPAQFWMJNJUSD-CQSZACIVSA-N 297.786 0.876 10 10 CCCE Oc1ccc(CN2CCO[C@@]3(CCNC3)C2)cc1O 717458794 QQLAFKCHZYKDDX-CQSZACIVSA-N 264.325 0.662 10 10 CCCE CNC(=O)CC[S@@](=O)CCC(=O)Nc1ccc(N)cc1 399234410 GYGBOOSIMBYJON-HXUWFJFHSA-N 297.380 0.482 10 10 CCCE NCC12CCC(C(=O)C(=O)C[C@H]3C[C@H](N)C3)(CC1)CO2 2168870818 XRMHPRUTKZSFAD-DPWDBBALSA-N 280.368 0.540 10 10 CCCE C[C@@H](O)c1ccc(N2CCN([C@H](C)CO)CC2)cc1O 2169365881 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C[C@@H]1CNC[C@@]1(C(=O)O)N(C)Cc1ccccc1O 2347723703 OHPIICCQHAUXFN-QMTHXVAHSA-N 264.325 0.887 10 10 CCCE C[C@H](c1cc(O)ccc1O)N1CCOC[C@H]1C(=O)O 251235967 CJKDUKJBMXEODY-KCJUWKMLSA-N 267.281 0.944 10 10 CCCE C[C@H]1CNC[C@@H](NC(=O)c2ccc(O)c(O)c2)C1 235709419 ZZWOGKXTMKTDMI-SCZZXKLOSA-N 250.298 0.826 10 10 CCCE CC(=O)N1CCN(C(=O)Nc2cc(O)c(O)c(O)c2)CC1 217278680 PVNYEVJKIVPCSS-UHFFFAOYSA-N 295.295 0.499 10 10 CCCE O=C(NCc1ccc(N2CCOCC2)c(F)c1)C1CNC1 129742302 KVZNSXPGJLMOAP-UHFFFAOYSA-N 293.342 0.498 10 10 CCCE CNCC(=O)NCCN(C)c1ccc2c(c1)OCO2 76371518 NWZAUZSSPNZXNK-UHFFFAOYSA-N 265.313 0.187 10 10 CCCE CC(C)=CC(=O)NCCN1C(=O)CSC1=S 71500735 SVBBSOQNWRCLSB-UHFFFAOYSA-N 258.368 0.929 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCCC1 40457717 SXRVZVGIIYDAKE-JTQLQIEISA-N 250.298 0.590 10 10 CCCE C[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)C[C@@H]1CO 700396006 SAXNFHSTTCDMKS-PSASIEDQSA-N 266.297 0.583 10 10 CCCE CC[C@H]1C(=O)NC(=O)CN1c1ccc([C@H](C)NC)c(O)c1 251525613 GPKFLOOQJCJESG-CABZTGNLSA-N 291.351 0.914 10 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2040334392 NBPICKYNFJKAOS-IVZWLZJFSA-N 254.290 0.807 10 10 CCCE Oc1ccc(CN[C@H]2CCc3nncn3C2)c(O)c1O 2159978532 FSZNVXLWXHWUTL-VIFPVBQESA-N 276.296 0.500 10 10 CCCE Nc1ccc(CC(=O)N2CC[C@](O)(CC(=O)O)C2)cc1 2160874084 DNAQMYBUWHOWOX-AWEZNQCLSA-N 278.308 0.249 10 10 CCCE [N-]=[N+]=N[C@H]1CCCN(C(=O)[C@@H]2CCC(=O)NC2)C1 701290933 HMBZFTBMRSKSDR-BDAKNGLRSA-N 251.290 0.814 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N3CC=CC[C@H]3CO)cc21 2176345804 ZHYQLUZVPQFGFY-FZMZJTMJSA-N 273.336 0.790 10 10 CCCE CCNCc1ccc(N2C[C@@H](CO)[C@@H](CO)C2)c(F)c1 704766065 XMXUGBYOLKWVSH-BETUJISGSA-N 282.359 0.972 10 10 CCCE C[C@H]1CN(C(=O)Nc2ccc(N)cc2)CCS1(=O)=O 707432555 QJTYKIOOKXRLEQ-VIFPVBQESA-N 283.353 0.920 10 10 CCCE Cc1nc[nH]c1CNS(=O)(=O)Cc1ccc(N)cc1 379852485 KTVOSLNXGHRKQL-UHFFFAOYSA-N 280.353 0.920 10 10 CCCE CC(C)N(C[C@H](C)O)C(=O)c1cc(O)nc(O)c1 691501842 XSNKDADDVLBKLR-QMMMGPOBSA-N 254.286 0.724 10 10 CCCE O=C(O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)N1CCC1 380448241 DMHYKEOCXJRFID-SECBINFHSA-N 280.280 0.509 10 10 CCCE CCCS(=O)(=O)C[C@H](O)COc1ccc(N)cc1 722438530 GTCJBAHWCPWVNM-LLVKDONJSA-N 273.354 0.833 10 10 CCCE C[C@@H]1[C@@H](CN)CCN1C(=O)c1cccc(O)c1O 385930314 USXPAIHCEIEKRN-RKDXNWHRSA-N 250.298 0.907 10 10 CCCE CC[C@@H](NC(=O)[C@@H]1CNc2ccccc2N1)C(N)=O 393698896 SJKWQPDUXJIDDU-KCJUWKMLSA-N 262.313 0.273 10 10 CCCE NC(=O)[C@@H]1CCC[C@H]1NC(=O)CCc1ccc(N)cc1 2174100709 OSHZCBKACFUQQW-CHWSQXEVSA-N 275.352 0.972 10 10 CCCE C[C@H](N[C@H]1CS(=O)(=O)C[C@H]1O)c1ccc(N(C)C)cc1 2177837689 DORFRKYBHMSOLF-LEWSCRJBSA-N 298.408 0.561 10 10 CCCE O=C(N[C@@H]1CN[C@@H]2CCCC[C@H]12)c1cc(O)nc(O)c1 2179451710 SZLUOPSFJHCRIR-HBNTYKKESA-N 277.324 0.753 10 10 CCCE CC[C@]1(CN)COCCN1C(=O)c1cccc(O)c1O 2169037790 CCADDJGSMDJDKY-AWEZNQCLSA-N 280.324 0.678 10 10 CCCE COCC1(C(=O)O)CN(C(=O)c2cccc(O)c2O)C1 2169141097 VRGRHLJBYTYUMV-UHFFFAOYSA-N 281.264 0.271 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N3CC(=O)NC[C@@H]3C)ccc21 2181164630 YEHBIUKTJWOZFN-ISVAXAHUSA-N 274.324 0.224 10 10 CCCE CCN(C)C(=O)[C@H](C)NC(=O)c1cc(O)c(O)c(O)c1 2188867705 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COC[C@H]1C[C@H]1C(=O)NCc1cc(N)ccc1O 2069638486 MOPHGVAUMQEOKO-MWLCHTKSSA-N 250.298 0.873 10 10 CCCE CO[C@@H]1C[C@@H](NC(=O)COc2ccc(N)cc2)C[C@@H]1O 2187352171 JRYPOBVVCKODPM-WCFLWFBJSA-N 280.324 0.302 10 10 CCCE CC[S@](C)(=O)=NCCNC(=O)COc1ccc(N)cc1 2187308415 YWMVXVYZZZBHIG-FQEVSTJZSA-N 299.396 0.882 10 10 CCCE COCC(COC)C(=O)NCCOc1ccc(N)cc1 2199365714 AHOILDLCGJFKPP-UHFFFAOYSA-N 282.340 0.673 10 10 CCCE Nc1ccc(OC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 2077268185 FPGBKMDXLLIWPB-SECBINFHSA-N 270.310 0.544 10 10 CCCE Cc1cccc(O)c1CN[C@@H]1CCC(=O)N(C)C1=O 2104513327 UIESVRHQSIWNPA-LLVKDONJSA-N 262.309 0.938 10 10 CCCE O=C(O)C[C@]1(O)CCN(Cc2ccc(O)c(O)c2)C1 2104561967 FBIPDAUABJCCTL-CYBMUJFWSA-N 267.281 0.509 10 10 CCCE NC(=O)[C@H]1CNCCN1c1ccc2c(c1)CCCC2 2106327603 XMORZDGZJBGKSO-CQSZACIVSA-N 259.353 0.829 10 10 CCCE O=C(NCCC(F)(F)C(=O)O)c1cc(O)nc(O)c1 2106643323 OJWQQSIYUUJBOG-UHFFFAOYSA-N 276.195 0.333 10 10 CCCE Nc1ccc(O)c(CN2CCOCCC23COC3)c1 2109850828 VKBVYZNGENCITP-UHFFFAOYSA-N 264.325 0.966 10 10 CCCE CO[C@H]1CN(C(=O)c2cccc(O)c2O)CC[C@H]1N 2090578434 BJJMLPMZCBOLBT-KOLCDFICSA-N 266.297 0.286 10 10 CCCE Cc1nc([C@@H](NN)c2ccc(N(C)C)cc2)nn1C 2090818424 RWMSYNNKQLCGAF-LBPRGKRZSA-N 260.345 0.742 10 10 CCCE CN(CC(CO)CO)C(=O)CCc1ccc(N)cc1 2094031235 UCUSUZSFPLFMKF-UHFFFAOYSA-N 266.341 0.261 10 10 CCCE C[C@@H](CO)N1CCN(Cc2cc(N)ccc2O)CC1 2113060839 ABZJKVLXGUFLBX-NSHDSACASA-N 265.357 0.473 10 10 CCCE CC(C)S(=O)(=O)C[C@@](C)(O)[C@@H](N)c1ccccc1O 2114133160 GAAWJRHPROUWID-QWHCGFSZSA-N 287.381 0.966 10 10 CCCE CNCc1ccc(N2CCC[C@@](O)(CO)C2)cc1OC 2204559021 KBIZYVSCDQORHM-HNNXBMFYSA-N 280.368 0.738 10 10 CCCE CSc1ncc(CN=c2[nH]nc(CO)o2)s1 2208537545 BNOXNIYIWYKHBB-UHFFFAOYSA-N 258.328 0.774 10 10 CCCE CNCc1cc(F)c(N2CC[C@@H]2[C@H](O)CO)c(F)c1 2270697694 BMLICJYIAWQREL-VXGBXAGGSA-N 272.295 0.616 10 10 CCCE COc1ccc(N2CC[C@H]2[C@@H](O)CO)c([N+](=O)[O-])c1 2270702861 DDQLIHKZVUOALI-JQWIXIFHSA-N 268.269 0.535 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@H]2[C@H](C[C@H]2O)C1 2232789104 HKSCURWLFNXAOA-NTZNESFSSA-N 277.320 0.870 10 10 CCCE COc1ccc(N2CC[C@H](S(C)(=O)=O)C2)c(CCN)c1 2235969002 YFCSYIHOFLKBTC-ZDUSSCGKSA-N 298.408 0.820 10 10 CCCE NCCCN1CCN(Cc2ccc(O)cc2O)CC1 2226064028 NYIYQFIVSKAPAB-UHFFFAOYSA-N 265.357 0.564 10 10 CCCE C[C@@H]1Cc2cc(N3CC[C@](O)(C(N)=O)C3)ccc2O1 2226705379 FEXLKYCPOJNNQV-YMTOWFKASA-N 262.309 0.437 10 10 CCCE C[C@@]1(C(=O)O)C=CCN1C(=O)Cc1ccc(O)c(O)c1 2237177971 VVKQULDATILKMC-AWEZNQCLSA-N 277.276 0.882 10 10 CCCE COc1ccc(N2C[C@@H](O)C[C@@]2(C)CO)c(C=O)c1 2227696435 SCIKTADRDCPJEM-FZMZJTMJSA-N 265.309 0.830 10 10 CCCE COc1ccc(N(C)C2CC(C(N)=O)C2)c(CO)c1 2227709392 TUNXCFGKXMVQSQ-UHFFFAOYSA-N 264.325 0.888 10 10 CCCE CN(C)C[C@@H]1C=CCN1S(=O)(=O)Cc1ccc(N)cc1 2239053938 NMDIUVXMJNRJKE-AWEZNQCLSA-N 295.408 0.901 10 10 CCCE Cc1cc(N2CC[C@H]2[C@@H](O)CO)ccc1[C@@H](C)O 2258309271 SEALQGJVCWFXNS-SWHYSGLUSA-N 251.326 0.980 10 10 CCCE CO[C@@H]1[C@H](O)C[C@H]1NCc1ccc(N(C)C)cc1 2258692991 WGWZMRAZWAQQEQ-MCIONIFRSA-N 250.342 0.990 10 10 CCCE C[C@@H](O)CN(CCN)c1ccc2c(c1)OCCCO2 2269810913 JVJLINXCNDUBHP-LLVKDONJSA-N 266.341 0.994 10 10 CCCE O=S(=O)(CCO)CCNCc1cc(Cl)ccc1O 2314169222 BHKQKXFJGDOUTE-UHFFFAOYSA-N 293.772 0.542 10 10 CCCE Cc1cc(N2C[C@@H]3C[C@H](O)[C@H](O)[C@@H]2C3)ccc1CN 2330369074 FXBUFERZPRLMCI-FBUXBERBSA-N 262.353 0.774 10 10 CCCE COc1ccc(N(C)[C@]2(C(=O)O)COC[C@H]2N)cc1 2348556467 BHCIXECZVFICFU-DGCLKSJQSA-N 266.297 0.312 10 10 CCCE N[C@H]1C[C@@H]2C[C@H]1C[C@@H]2NC(=O)Cc1ccc(O)c(O)c1 2354683708 GKHJVJLVHAUYLN-BJDJZHNGSA-N 276.336 0.882 10 10 CCCE C[C@@H](CCNC(=O)c1cccc(O)c1O)[S@](C)=O 126552802 KPOKNQKKJAIQCP-DCXZOGHSSA-N 271.338 0.985 10 10 CCCE CN(CC1(C)COC1)C(=O)c1cc(O)c(O)c(O)c1 1148584566 UHTNPJLTPCYSBF-UHFFFAOYSA-N 267.281 0.912 10 10 CCCE C[C@@H](C(=O)Nc1ccc(N)cc1)N1CC[C@@H](O)[C@@H](O)C1 2356890895 QKWNHKGQBPMKTL-BIMULSAOSA-N 279.340 0.023 10 10 CCCE COc1ccc2c(c1)S(=O)(=O)C[C@H](CO)N2C 215230028 VVFBXJKPKUHKKD-QMMMGPOBSA-N 257.311 0.280 10 10 CCCE O=S1(=O)C=C[C@@H](NCc2ccc(O)c(O)c2)C1 88854218 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VYECDWROQWDFCY-DZGCQCFKSA-N 276.336 0.919 10 10 CCCE COc1cc(C(=O)OCC(=O)C(C)=O)cc(OC)c1O 808528803 PVBNHVNQLJMAGP-UHFFFAOYSA-N 282.248 0.724 10 10 CCCE NCCCOCCNCc1ccc(N2CCOCC2)cc1 863485303 YQTGGIZOPKFVON-UHFFFAOYSA-N 293.411 0.978 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NC[C@]1(O)CCCOC1 1971052648 CDZXPYVRPZNWOE-CQSZACIVSA-N 281.308 0.298 10 10 CCCE O=C(NCc1ccccc1O)c1ccnc2[nH]nnc12 774063564 HCQYZQVQIXPGLA-UHFFFAOYSA-N 269.264 0.989 10 10 CCCE CN(C)c1nc(=NCc2ccc(N)cc2)[nH]cc1N 1876394624 CIDALOSDTJYGRX-UHFFFAOYSA-N 258.329 0.741 10 10 CCCE C[C@@H]1CN(C(=O)CCOc2ccc(N)cc2)C[C@H]1N 1876457249 TYBLRDXQMJJBMQ-ZWNOBZJWSA-N 263.341 0.843 10 10 CCCE O=C(Cn1cc(C2CC2)nn1)NCc1cc(O)ccc1O 1153886055 UOCWDUZRCYVQTN-UHFFFAOYSA-N 288.307 0.883 10 10 CCCE CS(=O)(=O)N1CC(NCc2cc(F)cc(F)c2O)C1 1963496000 YDYMZTANFSOGIG-UHFFFAOYSA-N 292.307 0.404 10 10 CCCE CCOc1cccc([C@H](N)C(=O)NC[C@@H](C)O)c1O 83497384 DQRHRCVYABWCCZ-KCJUWKMLSA-N 268.313 0.288 10 10 CCCE C[C@@H](C(=O)O)c1nnc([C@H](N)c2cccc(O)c2O)o1 83588052 QRHQPSWHNHUHSP-SVGQVSJJSA-N 279.252 0.717 10 10 CCCE C[C@H](O)C[C@H](C)NC(=O)Cc1ccc(O)c(O)c1 1597436108 TYTUBSIJMALEAZ-IUCAKERBSA-N 253.298 0.916 10 10 CCCE Nc1cc2c(cc1N1CCOC[C@H]1CCO)OCCO2 694898212 JFWMGNUHUDRSGP-SNVBAGLBSA-N 280.324 0.628 10 10 CCCE O=C(NC[C@H]1CCC[C@@H]1CO)c1cc(O)nc(O)c1 89491244 FOPAIIPLYLPINN-RKDXNWHRSA-N 266.297 0.631 10 10 CCCE Cc1ccc([C@H](C)N[C@H]2CCO[C@H]2C(N)=O)c(O)c1 2117462480 HWMQIXXLIMFLJP-XHVZSJERSA-N 264.325 0.994 10 10 CCCE CC1(C)CNC(=O)CN1CCOc1ccc(N)cc1 2119104806 XQTMUVKMAIFXAH-UHFFFAOYSA-N 263.341 0.858 10 10 CCCE COc1ccc(N2CCN(C)[C@@H](CO)C2)cc1OC 217179262 KNKHWWQGLFQZDD-GFCCVEGCSA-N 266.341 0.817 10 10 CCCE COc1ccc(CN2C[C@@H]3NC(=O)O[C@H]3C2)c(O)c1 2120408961 ZDTRSSBWXSVJII-JQWIXIFHSA-N 264.281 0.693 10 10 CCCE C[C@H](NC(=O)c1cccc(O)c1O)c1nc(=O)o[nH]1 2121344094 DRYCXYXQATZURP-YFKPBYRVSA-N 265.225 0.265 10 10 CCCE C[S@@](=O)CCNC(=O)Cc1ccc(O)c(O)c1 1615099108 WYSRLEDIBOJBGK-QGZVFWFLSA-N 257.311 0.135 10 10 CCCE CCO[C@@H]1COC[C@H]1NC(=O)Cc1ccc(O)c(O)c1 1627591925 QXVTVIOVVLSWIF-ZWNOBZJWSA-N 281.308 0.560 10 10 CCCE Cn1nc(C(=O)NCc2ccc(O)cc2O)ccc1=O 1639441096 ISJWNQRXRSUENS-UHFFFAOYSA-N 275.264 0.122 10 10 CCCE CC1(C)COC(=O)[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 1568739984 UEKZXSNCAFGPNV-LBPRGKRZSA-N 279.292 0.708 10 10 CCCE O=C(N[C@@H](CO)[C@@H](O)c1ccccn1)c1cc(O)cs1 1587168112 KIZJMVIRGGARJE-JQWIXIFHSA-N 294.332 0.673 10 10 CCCE Cn1cnnc1[C@H](CO)NC(=O)c1cc(O)cs1 1585237244 PKCPJZYACUTBMB-ZETCQYMHSA-N 268.298 0.046 10 10 CCCE COC(=O)[C@H](NCCN=[N+]=[N-])[C@]1(OC)CCOC1 1912188854 QZSBNDZSMHIWJU-WPRPVWTQSA-N 258.278 0.233 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN(CC(=O)N2CCOCC2)C1 1912142896 BMTSOBKWRPYEAE-LLVKDONJSA-N 267.333 0.868 10 10 CCCE [N-]=[N+]=NC[C@H]1CCN(C(=O)C[C@@H]2CCS(=O)(=O)C2)C1 1912149618 IVYXWYIUUFHIDY-VHSXEESVSA-N 286.357 0.970 10 10 CCCE O=C(O)[C@H](Cc1c[nH]cn1)NCc1ccccc1O 13905686 XOHSJPOQKQXJMI-NSHDSACASA-N 261.281 0.901 10 10 CCCE O=C1CC[C@H]2CN(C(=O)c3cc(O)nc(O)c3)CC[C@H]2N1 160603364 ZNRBORPZTHOBSC-WCBMZHEXSA-N 291.307 0.234 10 10 CCCE O=C(NCc1ccc(C(=O)O)nc1)c1cc(O)nc(O)c1 159934513 ZQUPKGFGTDKKQS-UHFFFAOYSA-N 289.247 0.516 10 10 CCCE CN(Cc1ncno1)C(=O)c1cc(O)c(O)c(O)c1 2132348205 GKLIDOAFMVQBNA-UHFFFAOYSA-N 265.225 0.459 10 10 CCCE C[C@H]1C[C@H]1N(CCO)C(=O)c1cc(O)c(O)c(O)c1 2132349133 ZFQACSBPTARBFS-IONNQARKSA-N 267.281 0.646 10 10 CCCE CN(C(=O)c1cc(O)c(O)c(O)c1)[C@@H]1CCC[C@@H]1N 2132419184 QTALGDFKMYKOGE-DTWKUNHWSA-N 266.297 0.755 10 10 CCCE NC[C@H](NC(=O)c1cc(O)c(O)c(O)c1)C1CCC1 2132419150 QJCKIFOWYIEHKG-VIFPVBQESA-N 266.297 0.661 10 10 CCCE O=C1C[C@H](NCc2cccc(O)c2O)[C@@H]2CCCN12 2131981011 ZLFWEYKDYAVHGV-QWRGUYRKSA-N 262.309 0.951 10 10 CCCE COc1cccc(O)c1CN1CCNCCNCC1 904398508 QVJLKSMTUUYHHE-UHFFFAOYSA-N 265.357 0.396 10 10 CCCE O=S(=O)(Nc1ccc(O)cc1F)N1CC[C@@H](O)C1 1914123882 PMAPHPMQHFQLMZ-MRVPVSSYSA-N 276.289 0.255 10 10 CCCE CO[C@H]1C[C@H](C(=O)O)N(Cc2ccc(O)cc2O)C1 2136364846 RQENMFZZMWZHQG-WDEREUQCSA-N 267.281 0.772 10 10 CCCE C[C@H](NC(=O)[C@H](N)CCC(N)=O)c1ccccc1O 2141251658 WDUYHXSGSLAVHC-WCBMZHEXSA-N 265.313 0.162 10 10 CCCE NC[C@]12CC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 2136691418 HBGKDYUNPATTMB-RNCFNFMXSA-N 263.297 0.304 10 10 CCCE CN1CCC[C@@H](NC(=O)c2ccc(O)c(O)c2)C1 227026959 DVVHRQZYQHBXDL-SNVBAGLBSA-N 250.298 0.922 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CCN2C(=O)CC[C@H]2C1 227052082 XQQVFEIUDDLLNA-JTQLQIEISA-N 276.292 0.545 10 10 CCCE O=C(N[C@@H]1CCNCC[C@H]1CO)c1ccc(O)c(O)c1 1921717489 BYWMRVMCBMNWIW-WDEREUQCSA-N 280.324 0.188 10 10 CCCE CN(C)CCN(CC(=O)O)Cc1ccc(O)cc1O 230752456 DPFRXPOFCVDTGE-UHFFFAOYSA-N 268.313 0.546 10 10 CCCE CNCc1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CF)cc1Cl 2140663492 OQTJPFAXGUDUBK-AVGNSLFASA-N 288.750 0.939 10 10 CCCE CN[C@H](c1ccccc1O)[C@@H](O)c1nc(C)nn1C 2138699919 WOIPUQCZPBRLIJ-VXGBXAGGSA-N 262.313 0.823 10 10 CCCE CN[C@@H](c1ccccc1O)[C@H](O)c1nc(C)nn1C 2138699918 WOIPUQCZPBRLIJ-RYUDHWBXSA-N 262.313 0.823 10 10 CCCE C[C@H]1CN(C)CCN1c1ccc2c(c1)NC(=O)[C@@H]2N 235691086 SRZLQRNDGXQKPE-TVQRCGJNSA-N 260.341 0.779 10 10 CCCE Cc1ccc(O)c(CNC[C@@H]2CCS2(=O)=O)c1 1945526185 BAKQXUBCONNVCG-NSHDSACASA-N 255.339 0.977 10 10 CCCE CCS(=O)(=O)N1CCN(c2ccc(CN)cc2C)CC1 2143491169 ZILUCKFNVLRSLE-UHFFFAOYSA-N 297.424 0.925 10 10 CCCE Nc1ccc(N2C(=O)[C@@H]3C[C@@H]4OCC[C@H]4N3C2=O)cc1 2143555037 VRJPXHKSVRVZIP-WOPDTQHZSA-N 273.292 0.967 10 10 CCCE C[C@H]1C[C@H](NC(=O)c2ccc(O)c(O)c2)CCS1(=O)=O 2143980105 CBVBSCFZDTXDGF-WCBMZHEXSA-N 299.348 0.793 10 10 CCCE Nc1ccc(CC(=O)N2CC[C@@H]3CC(=O)N[C@H]3C2)cc1 2145058801 WHCPYPGAGFXQRO-YPMHNXCESA-N 273.336 0.548 10 10 CCCE COC(=O)C[C@@H](N)c1cc(C(=O)O)c(OC)cc1O 260353985 PMLVBWJWWCKUEN-MRVPVSSYSA-N 269.253 0.662 10 10 CCCE NCCc1cccc2c1ccn2C[C@H]1CCS(=O)(=O)N1 2146176726 XKGSXUDXWDYEEC-GFCCVEGCSA-N 293.392 0.834 10 10 CCCE CC(C)N(CC(N)=O)CC(=O)Nc1ccc(N)cc1 42427750 KGYLOGSJMPYJAU-UHFFFAOYSA-N 264.329 0.403 10 10 CCCE CC1(C)CN(C(=O)c2cccc(O)c2O)C[C@@H](CN)O1 164403781 QEBMQODSGRPVQF-SECBINFHSA-N 280.324 0.676 10 10 CCCE NCc1cc(F)c(N2CC[C@](CO)(CCO)C2)c(F)c1 2153348572 ZOHJQALMJGUHLD-AWEZNQCLSA-N 286.322 0.995 10 10 CCCE O=C(O)[C@@H](Cc1ccc(O)c(O)c1)N1CCCNC1=O 43323469 FDTZSQGQUMUMOQ-SECBINFHSA-N 280.280 0.509 10 10 CCCE COc1ccc(N(CCO)CCN(C)C)c([N+](=O)[O-])c1 2155564220 MHXZJDOSLMECRR-UHFFFAOYSA-N 283.328 0.964 10 10 CCCE CCNC(=O)[C@H](C)N1CCN(c2ccc(N)cc2)CC1 57470031 IPUQJOZUJCUDRA-LBPRGKRZSA-N 276.384 0.915 10 10 CCCE COc1cc(Br)c(O)c(CNCC(N)=O)c1 309908128 LHRIXBFVMBIGLO-UHFFFAOYSA-N 289.129 0.738 10 10 CCCE CN([C@H]1CN2CC[C@H]1C2)S(=O)(=O)Cc1ccc(N)cc1 2158735033 OWZUHAZTCSPXRL-JSGCOSHPSA-N 295.408 0.735 10 10 CCCE Cc1cc(CN)ccc1N1CCC[C@](O)(CO)C1 313854295 LBQIHZHLQAUIMV-CQSZACIVSA-N 250.342 0.777 10 10 CCCE CN[C@H](C)c1ccc(N2C[C@@H](O)[C@@H](CO)C2)cc1O 316261211 ATVCEOKGCGSFSE-GPCCPHFNSA-N 266.341 0.462 10 10 CCCE O=C(O)C[C@@]1(O)CCCN(Cc2ccc(O)c(O)c2)C1 2160876700 CEFQOCJUZLDJRY-AWEZNQCLSA-N 281.308 0.899 10 10 CCCE CN1CCc2cc(CN[C@@H](C(=O)O)C3COC3)ccc21 2161179293 USLLTICVIBTELP-CQSZACIVSA-N 276.336 0.868 10 10 CCCE COCC[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 81710379 RHPCZKDKAJIVSN-ONGXEEELSA-N 282.340 0.509 10 10 CCCE CN1CCc2cc([C@H](NN)[C@H]3CCCS3(=O)=O)ccc21 2163158646 RCDNWJBPGOVBRH-KGLIPLIRSA-N 295.408 0.761 10 10 CCCE O=C(NCC[C@@H]1CCCS1(=O)=O)c1ccc(O)c(O)c1 714375980 HTBXAXVGVBSRQI-JTQLQIEISA-N 299.348 0.795 10 10 CCCE O=C(N[C@H](CO)CC(F)F)c1cc(O)nc(O)c1 717795860 PNLIFHMZHMEBKC-LURJTMIESA-N 262.212 0.239 10 10 CCCE Oc1ccc(CNCc2cc3c(cc2O)OCO3)nn1 391332728 BFSURIPSLNHJGH-UHFFFAOYSA-N 275.264 0.906 10 10 CCCE NCc1cc(F)c(N2C[C@H]3C(=O)NC(=O)[C@@H]3C2)cc1Cl 2177383417 MNTONWLXGPHEAY-HTQZYQBOSA-N 297.717 0.647 10 10 CCCE C[C@H](N[C@@H]1C[C@H](CO)[C@H](O)[C@@H]1O)c1cc(F)ccc1O 2177943423 GFLNTSCLQPWSNP-BXOJNMQXSA-N 285.315 0.285 10 10 CCCE O=C(O)C[C@H]1COC[C@H]1NC(=O)c1ccc(O)c(O)c1 2187925236 GRBOJLDJZMCRTQ-DTWKUNHWSA-N 281.264 0.317 10 10 CCCE Nc1ccc(CCC(=O)NCC2COCCOC2)cc1 2188051068 OJEHJVYAORLTGC-UHFFFAOYSA-N 278.352 0.981 10 10 CCCE NCc1ccc(N2C[C@@H]3C[C@H](C2)[C@H](O)[C@@H]3O)c(F)c1F 2182558706 FSYSDIKDSRHGCX-LPQAMYBRSA-N 284.306 0.601 10 10 CCCE CNC(=O)C1(NC(=O)c2ccc(O)c(O)c2)CC1 2041814696 IUNHMBWAFNSOKX-UHFFFAOYSA-N 250.254 0.106 10 10 CCCE N[C@H]1CCc2cc(N3CC[C@]4(CNC(=O)N4)C3)ccc21 2184734050 OIDFXSBBAUNCJW-ZFWWWQNUSA-N 272.352 0.894 10 10 CCCE Oc1ccc(CCN[C@@H]2C[C@@H]3NCCO[C@@H]3C2)cc1O 2185355723 NZVVOOKTOGIODX-TYNCELHUSA-N 278.352 0.749 10 10 CCCE Nc1ccc(CC(=O)N2C[C@@H](F)[C@H](CO)C2)cc1 2057007690 ADCGJZSCBHSKDR-CMPLNLGQSA-N 252.289 0.600 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC[C@@H]2[C@@H](O)C[C@H]21 2057964644 BVZRHJWKJIHCSA-YIZRAAEISA-N 250.254 0.088 10 10 CCCE CO[C@@H]1CN([C@@H](C)c2c(O)cccc2O)C[C@@H]1N 2058777816 YFQUUNQMJCMCOA-HOTUBEGUSA-N 252.314 0.817 10 10 CCCE Nc1ccc(CC(=O)NC[C@@H]2C[C@H]3OCC[C@@H]3N2)cc1 2191755484 FKMKPFCPDAWFHW-MELADBBJSA-N 275.352 0.447 10 10 CCCE CC[C@](C)(CO)NC(=O)c1cc(O)c(O)c(O)c1 2068578497 SEJIASNVZFHQJT-GFCCVEGCSA-N 255.270 0.694 10 10 CCCE C[C@H]1NCC[C@H]1NS(=O)(=O)Cc1ccc(N)cc1 2071698638 VGBAHDGFRBNQMU-BXKDBHETSA-N 269.370 0.439 10 10 CCCE NC(=O)[C@H]1OCC[C@H]1NCc1ccc(F)cc1O 2084178214 ZHVFYNQOONFDJU-KOLCDFICSA-N 254.261 0.264 10 10 CCCE C[C@@](N)(C(=O)NCCc1ccc(O)c(O)c1)C(F)F 2096514877 NHCYATOYMOPDNA-LBPRGKRZSA-N 274.267 0.739 10 10 CCCE Cc1cccc(CNC(=O)C(F)(F)C2(O)CNC2)c1O 2204607290 XMIOKYOMMUASIB-UHFFFAOYSA-N 286.278 0.286 10 10 CCCE Cc1cc([C@@H](C)N)ccc1N1CC(NS(C)(=O)=O)C1 2232105224 SJBCWANZAMKVDJ-SNVBAGLBSA-N 283.397 0.753 10 10 CCCE N=c1nnc(Nc2ccc(N3CCCC3=O)cc2)n[nH]1 2234532525 IBFDBBMAUQJMJH-UHFFFAOYSA-N 271.284 0.550 10 10 CCCE COc1ccc(N2CCN3C(=O)NC[C@H]3C2)c(C=O)c1 2235978447 DPOGZIOEULHMSP-NSHDSACASA-N 275.308 0.722 10 10 CCCE CSc1ncc(CNC(=O)[C@]2(CO)CCCN2)s1 2257074019 GYPZDDQGHMRENP-LLVKDONJSA-N 287.410 0.596 10 10 CCCE O=C(O)[C@@H]1CO[C@H]2CN(Cc3ccccc3O)C[C@@H]2O1 2279857240 OYINQEFXNRIEQE-AVGNSLFASA-N 279.292 0.445 10 10 CCCE COc1cc(N2C[C@H]3OCC[C@@]3(CO)C2)ccc1CO 2296359902 IKNZUZUOWYDSAP-CABCVRRESA-N 279.336 0.775 10 10 CCCE COc1cc(OC)c(N2CC[C@H](O)[C@H](O)C2)c(OC)c1 2287067753 DTRSCWRKDJKAQC-WDEREUQCSA-N 283.324 0.644 10 10 CCCE OC[C@@H](O)C1CN(c2ccc3c(c2)OCCO3)C1 2315278901 RBPPZQPKWQYKFC-LLVKDONJSA-N 251.282 0.247 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3C[C@@H]4C[C@H]3[C@@H]4CO)ccc21 2333105839 YDSCYJIIWFJSBE-VFHFYPCJSA-N 259.309 0.456 10 10 CCCE Cc1cc(N2C[C@@H]3C[C@H]2[C@@H](O)[C@H]3O)ccc1[C@@H](C)N 2334468028 JNOIHLOJLIWOKU-BUVBEKAXSA-N 262.353 0.945 10 10 CCCE O=S(=O)(CCO)CCNCc1ccc(F)c(F)c1O 2335767609 NSOZBSGBERRDNG-UHFFFAOYSA-N 295.307 0.167 10 10 CCCE CCN(CC(=O)N(C)C)C[C@H](O)COc1ccc(N)cc1 36198243 FPXVXJVORRQKRO-ZDUSSCGKSA-N 295.383 0.419 10 10 CCCE C[C@H](C(N)=S)N(C)C(=O)c1cccc(O)c1O 126151675 DLZUEISGQAZWFO-ZCFIWIBFSA-N 254.311 0.844 10 10 CCCE Cc1ccc([C@@H](C)NCCS(N)(=O)=O)c(O)c1 36744928 MJWTWMVEQWOKQA-SECBINFHSA-N 258.343 0.640 10 10 CCCE CN(CC(=O)NC1CC1)C(=O)CCOc1ccc(N)cc1 40304460 RSTIZYYIFURTSI-UHFFFAOYSA-N 291.351 0.775 10 10 CCCE O=C(O)C[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)C1 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COc1ccc(O)c(CN2CCO[C@H](CC(N)=O)C2)c1 862534500 DABPNGJBIPDASG-GFCCVEGCSA-N 280.324 0.477 10 10 CCCE C[C@@H](NCc1ccc2c(c1)CCN2C)[C@@H](O)CO 698985503 MRSSDAGIHSTSQL-YGRLFVJLSA-N 250.342 0.510 10 10 CCCE COc1cc(O)c(CNCCOCCCN)cc1OC 863485915 BWPXGPMQHQSNTO-UHFFFAOYSA-N 284.356 0.864 10 10 CCCE O=C1CCCN1CC(=O)N1Cc2cccc(O)c2C1 871199303 VVFGGLHHNFBEIQ-UHFFFAOYSA-N 260.293 0.857 10 10 CCCE Nc1cc2c(cc1N1CCN[C@H]3CC[C@H]31)OCCO2 1876383780 DOXUQZOTGMHJNM-WDEREUQCSA-N 261.325 0.981 10 10 CCCE Nc1ccc(CC(=O)N2CCO[C@@H]3CNC[C@H]32)cc1 1876481588 CYORGGHGJRHYOC-CHWSQXEVSA-N 261.325 0.011 10 10 CCCE COc1ccc(CN[C@@H]2CCOC[C@@H]2CO)c(O)c1 1878774562 LISUJSJQKRMHBB-WCQYABFASA-N 267.325 0.888 10 10 CCCE CC(C)(C)OC(=O)N[C@H](CO)C(=O)NCCCN=[N+]=[N-] 1882297806 INNPNFWRLVVLRG-MRVPVSSYSA-N 287.320 0.689 10 10 CCCE CCn1nnnc1CN(C)c1ccc(OC)cc1N 1885612716 SEVCPGJQTFUFLT-UHFFFAOYSA-N 262.317 0.920 10 10 CCCE C[C@@H](C(=O)O)S(=O)(=O)CCOc1ccc(N)cc1 58262834 FQYRUHUMBYHLPE-QMMMGPOBSA-N 273.310 0.536 10 10 CCCE 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O[C@@H]1[C@@H](O)[C@@H]2CCN(c3ccc4c(c3)CCO4)[C@H]1C2 2333689452 DEQDRMIAROZFBN-WCUVEOEZSA-N 261.321 0.942 10 10 CCCE Cc1cc(N2C[C@@H]3C[C@H]2[C@@H](O)[C@H]3O)ccc1[C@H](C)O 2334468750 JHBWICNIJYCBIT-ZOBYWKAUSA-N 263.337 0.979 10 10 CCCE Oc1cccc(CNC[C@@H]2C[C@@H]3C[C@H]2[C@H](O)[C@@H]3O)c1O 2355454253 IYSLSOUAZQCGHL-YHXLARSLSA-N 279.336 0.565 10 10 CCCE CN1CCc2cc([C@H](NC[C@@H]3CCCO3)C(N)=O)ccc21 50287552 PWOUDESUQIYOAU-ZFWWWQNUSA-N 289.379 0.974 10 10 CCCE Nc1cc2c(cc1N1CCn3ccnc3C1)NC(=O)CO2 62249951 RVNCLAJMYUITAM-UHFFFAOYSA-N 285.307 0.816 10 10 CCCE C[C@@H](N)c1cc(F)c(N2C[C@@H]3C[C@H]2[C@H](O)[C@@H]3O)c(F)c1 2357397687 AVTJMHAZPVAREV-GRNGAPQBSA-N 284.306 0.915 10 10 CCCE Cc1cc(Br)c(O)c(CNC(CO)CO)c1 134750766 JBBQUSWSXSTKED-UHFFFAOYSA-N 290.157 0.906 10 10 CCCE C[C@@H](C(=O)O)S(=O)(=O)N(C)Cc1ccccc1O 42523597 OZUNMQAUNZFRMU-QMMMGPOBSA-N 273.310 0.627 10 10 CCCE CN(C)C(=O)[C@H]1CNCCN1Cc1ccc(N(C)C)cc1 89083719 NFWKTNIRWAUXCJ-OAHLLOKOSA-N 290.411 0.615 10 10 CCCE CN(C)C[C@@](C)(O)CNCc1cccc(O)c1O 226761277 FKBPEEOTARFSDY-ZDUSSCGKSA-N 254.330 0.500 10 10 CCCE Nc1ccc(O)c(CNc2ccc3nnnn3n2)c1 94726689 NQARATGFWXUVOM-UHFFFAOYSA-N 257.257 0.419 10 10 CCCE COC(=O)[C@@H](N)Cc1ccc(Br)c(O)c1O 260506898 FZXRPAASSIUQCD-ZETCQYMHSA-N 290.113 0.903 10 10 CCCE C[C@H](NC(=O)c1cccc(O)c1O)C1(S(C)(=O)=O)CC1 804542851 PGFXCXQDFWBYSK-QMMMGPOBSA-N 299.348 0.793 10 10 CCCE CO[C@@H]1CCOC[C@@H]1NC(=O)Cc1ccc(N)cc1 724863092 OUKRUJUNFNZIQL-QWHCGFSZSA-N 264.325 0.731 10 10 CCCE COc1ccc(O)c([C@H](C)NC(=O)CNC(N)=O)c1 728978963 AMCHQEKVTPCGPV-ZETCQYMHSA-N 267.285 0.246 10 10 CCCE CNC(=O)[C@H]1COCCN1c1ccc([C@H](C)N)c(O)c1 723183654 UEUJADYZXMJKFX-JOYOIKCWSA-N 279.340 0.363 10 10 CCCE NCCNC(=O)NCc1cc(Br)ccc1O 841923028 UKNPWFQQJJOFDW-UHFFFAOYSA-N 288.145 0.913 10 10 CCCE CS(=O)(=O)C[C@@H](O)CNCc1ccc2c(c1)CCO2 922826610 DDSIJKLFRLLGTF-LBPRGKRZSA-N 285.365 0.117 10 10 CCCE Cn1c(CCCN)cc(=O)n2nc(-c3cnccn3)cc12 71468259 VSXVGAGQYIMNBY-UHFFFAOYSA-N 284.323 0.381 10 10 CCCE COc1ccc(N2CCC(O)(CN)CC2)c(OC)c1 71598503 QNOCASFQDWZGTJ-UHFFFAOYSA-N 266.341 0.994 10 10 CCCE Nc1ccc(CS(=O)(=O)N2[C@H]3CC[C@@H]2CNC3)cc1 1876174821 SXLKYPARNQKWQD-BETUJISGSA-N 281.381 0.535 10 10 CCCE O=C1Nc2cc(N3CC([N+](=O)[O-])C3)c(F)cc2[C@H]1O 1876149875 PSIOSLYJEKGDEG-SNVBAGLBSA-N 267.216 0.277 10 10 CCCE COc1cc(N)c(N2C[C@@H]3CNC[C@@H]3C2)cc1OC 1876315800 SRKJBIULDVNGEQ-AOOOYVTPSA-N 263.341 0.942 10 10 CCCE COc1cccc(CN2CCn3c(O)nnc3C2)c1O 776520169 IVZVFZXNACQKPN-UHFFFAOYSA-N 276.296 0.714 10 10 CCCE C[C@H]1CN[C@H](C(=O)N[C@@H](C)c2ccccc2O)CO1 1877584084 AHZBBCUTIVWDIL-NHCYSSNCSA-N 264.325 0.946 10 10 CCCE COCC1(O)CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1137986701 PCYSTXKQYGGQLE-UHFFFAOYSA-N 295.335 0.640 10 10 CCCE O=C(C1CN([C@@H]2CCOC2)C1)N1Cc2cccc(O)c2C1 899172669 FUXUYECRSPNOGL-CYBMUJFWSA-N 288.347 0.955 10 10 CCCE N[C@H]1CCSC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 1896213791 OQYPQVXTARZERF-YUMQZZPRSA-N 284.337 0.366 10 10 CCCE OC[C@H](O)CCNCc1ccc(Br)cc1O 1963627520 NNKVWJMBZNZURZ-SNVBAGLBSA-N 290.157 0.988 10 10 CCCE COc1nc(NN)nc(Sc2nccs2)n1 87892524 NVXYMAVPQDKUJF-UHFFFAOYSA-N 256.316 0.774 10 10 CCCE CN(C(=O)CN1C(=O)[C@H]2C[C@H]2C1=O)c1ccc(N)cc1 68689172 KCBBHRZNCLXEKI-PHIMTYICSA-N 273.292 0.237 10 10 CCCE C[C@@H](N)c1ccc(N2C[C@H](O)C[C@@H]2CO)c(F)c1 698229306 QSRWYDNCFQJZGH-FBIMIBRVSA-N 254.305 0.777 10 10 CCCE CCNCc1ccc(N2CCN(C)C[C@@H]2CO)cc1 699434768 NMXIBPJQKMHDHS-OAHLLOKOSA-N 263.385 0.909 10 10 CCCE O=C1OCC[C@@H]1Oc1ccc(N2CCNCC2)cc1 136672136 PYBGPJNXZSBPDQ-ZDUSSCGKSA-N 262.309 0.791 10 10 CCCE C[C@@]1(NS(=O)(=O)Cc2ccc(N)cc2)CCOC1 161596951 ZSCMKEPIUZWQIS-GFCCVEGCSA-N 270.354 0.867 10 10 CCCE N[C@@H](Cc1ncns1)C(=O)NCc1ccccc1O 2115683859 QMUSTFXEBOSVHB-VIFPVBQESA-N 278.337 0.430 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NC[C@H]1C[C@@H]2COC[C@@H]2O1 1455559527 MVNVVVQJMBJCSF-GYSYKLTISA-N 293.319 0.560 10 10 CCCE C[C@@H]1CNC(=O)[C@@H](CN)N1c1ccc2c(c1)OCO2 216975525 KPJJILMSPPUZPF-PSASIEDQSA-N 263.297 0.067 10 10 CCCE CN1C(=O)/C(=C/N2CCCCC2)C(=O)NC1=S 465485 KZXXDQCFVUWEGQ-BQYQJAHWSA-N 253.327 0.229 10 10 CCCE COc1cccc(CNC(=O)CCCc2nn[nH]n2)c1O 1545684358 SXJSDBLFCPNZOK-UHFFFAOYSA-N 291.311 0.553 10 10 CCCE CN1CCc2cc(N3CC[C@H](CO)[C@@H](N)C3)ccc21 2122374006 HADAUXIPENWGNY-OCCSQVGLSA-N 261.369 0.825 10 10 CCCE CC[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)NC 1638157246 QZYNUXMBGNBRHM-ONRRBMGISA-N 278.308 0.752 10 10 CCCE COCC(COC)Cn1ccc2c(c1=O)CNCC2 1910065172 CEKBCAARVWZINK-UHFFFAOYSA-N 266.341 0.403 10 10 CCCE Cn1cnc(S(=O)(=O)N2CC[C@H](N=[N+]=[N-])C2)c1 1912149028 APTKSYKOCXRDCZ-ZETCQYMHSA-N 256.291 0.493 10 10 CCCE [N-]=[N+]=N[C@H]1CCN(CC(=O)NC[C@@H]2CCCO2)C1 1912182240 ZEFGGCYPEKOPIA-UWVGGRQHSA-N 253.306 0.666 10 10 CCCE COC(=O)[C@]1(NCCCN=[N+]=[N-])C[C@@H]2COC[C@H]21 1912163225 GWEXWUZSFVAPMU-KKZNHRDASA-N 254.290 0.855 10 10 CCCE CCN1C[C@@H](C(=O)N2CC[C@H](N=[N+]=[N-])C2)CC1=O 1912171503 LMQHGVCRXYPRMZ-IUCAKERBSA-N 251.290 0.766 10 10 CCCE [N-]=[N+]=NC1CCN(S(=O)(=O)N2CCC[C@@H](O)C2)CC1 1912169660 NHFWUJDKAIODGZ-SNVBAGLBSA-N 289.361 0.463 10 10 CCCE COCCNC(=O)[C@H](C)N1CC[C@H](CN=[N+]=[N-])C1 1912211078 ROFYDBKWGWTVAM-VHSXEESVSA-N 255.322 0.770 10 10 CCCE CC1(C)CN(C(=O)c2cccc(O)c2O)[C@H]1CO 1965144925 HNPOQAOPADXFNC-JTQLQIEISA-N 251.282 0.941 10 10 CCCE C[C@H](F)[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)C(=O)O 2133550522 XWUZWFINOUKULE-RNHFCUEFSA-N 273.216 0.344 10 10 CCCE N[C@@H]1CCc2cc(N3C[C@H]4C[C@@]3(CO)CO4)ccc21 2128293631 GIBGKDMFFSUSQV-BPLDGKMQSA-N 260.337 0.973 10 10 CCCE C[C@@H](Oc1ccc(N)cc1)C(=O)NCCOCCO 1860080255 AQGUWEKSXMALLY-SNVBAGLBSA-N 268.313 0.161 10 10 CCCE O=[N+]([O-])c1cc(N2C[C@H](O)C(F)(F)C2)ccc1CO 2132058150 MWAVATKUBUUMKD-JTQLQIEISA-N 274.223 0.903 10 10 CCCE COC[C@@H]1C=CCN1C(=O)c1cc(O)c(O)c(O)c1 2132403081 HOJGNAHRSRGWNL-VIFPVBQESA-N 265.265 0.830 10 10 CCCE CNCc1ccc(N(C)C2CS(=O)(=O)C2)cc1OC 2139683640 YZSWBYPRGNNXDN-UHFFFAOYSA-N 284.381 0.648 10 10 CCCE C[C@@H](N)C1CCN(C(=O)c2cc(O)nc(O)c2)CC1 110647250 LKAXAWBIBLJPNZ-MRVPVSSYSA-N 265.313 0.692 10 10 CCCE CNC(=O)[C@@H](C)N(C)C(=O)c1cccc(O)c1O 1916838353 KIMCBIIBVCCYAC-SSDOTTSWSA-N 252.270 0.304 10 10 CCCE CN1CCC[C@H]1CNC(=O)COc1ccc(N)cc1 225919751 TZAOXIDCMCXHCG-LBPRGKRZSA-N 263.341 0.858 10 10 CCCE N[C@H]1CCc2cc(N3C[C@H](O)[C@@H](O)[C@@H]3CF)ccc21 2140666238 VJMCRHNSDIUNCO-XUXIUFHCSA-N 266.316 0.513 10 10 CCCE CCS(=O)(=O)N1CCN(c2ccc(OC)cc2N)CC1 2143491147 YEZUNAFZZLETEQ-UHFFFAOYSA-N 299.396 0.749 10 10 CCCE Nc1ccc(OCC(=O)NC[C@H]2CCCNC2=O)cc1 2144038429 BPSMHFPJOOPDSY-SNVBAGLBSA-N 277.324 0.290 10 10 CCCE Cn1cnc(CCNC(=O)COc2ccc(N)cc2)n1 148591397 YGSYBUSIXCCDBX-UHFFFAOYSA-N 275.312 0.135 10 10 CCCE CCN[C@@H]1C(=O)Nc2cc(N3CC[C@@H]3C(N)=O)ccc21 2145613719 LWSKSOMLSMJMSA-NEPJUHHUSA-N 274.324 0.353 10 10 CCCE CCN(CC(=O)N1CCOCC1)Cc1ccc(N)cc1 35361351 YNQROKIKBWTJHR-UHFFFAOYSA-N 277.368 0.950 10 10 CCCE COC(=O)c1cccc(N)c1N[C@@H]1CCC(=O)NC1=O 161206744 KQSQXKZNWZNQBI-SECBINFHSA-N 277.280 0.273 10 10 CCCE CC(C)[C@H](C)NC(=O)Cn1ccc2c(c1=O)CNCC2 2150800668 PDYWPULMIAROSI-NSHDSACASA-N 277.368 0.655 10 10 CCCE CC1(C)CN(C(=O)c2cccc(O)c2O)C[C@H](CN)O1 164403658 QEBMQODSGRPVQF-VIFPVBQESA-N 280.324 0.676 10 10 CCCE C[C@H]1CN(c2cc3c(cc2N)OCC(=O)N3)CC[C@@H]1O 166024334 HUWJJUROWRDBEQ-UFBFGSQYSA-N 277.324 0.807 10 10 CCCE CN(C[C@H]1COCCCO1)C(=O)c1ccc(O)c(O)c1 2154001669 WTUSBNIYBBOQHJ-NSHDSACASA-N 281.308 0.975 10 10 CCCE CCN1CCO[C@@H]([C@H](NN)c2ccccc2O)C1 2029542283 CYGLMRLLPYVYBI-CHWSQXEVSA-N 251.330 0.617 10 10 CCCE CCC[C@@H](O)CCNC(=O)c1cc(O)nc(O)c1 2029928222 QMLGGBBUXKHIPO-SECBINFHSA-N 254.286 0.774 10 10 CCCE CN(C)c1ccc(CNC[C@@H]2COC[C@@H]2O)cc1 2036567424 HHZSHCOWKQRCQU-OCCSQVGLSA-N 250.342 0.850 10 10 CCCE CO[C@@H]1COC[C@H]1CNCc1cccc(O)c1O 2036606217 ALICEENWFZUPFZ-ZYHUDNBSSA-N 253.298 0.849 10 10 CCCE Cc1cc(N2CCOC[C@@H](CO)C2)ccc1CN 2036932449 IKLSFLQSKWOSHH-GFCCVEGCSA-N 250.342 0.899 10 10 CCCE CN(Cc1ncon1)c1cc2c(cc1F)[C@H](O)C(=O)N2 2160447417 SXAPZOVFXDMRKK-NSHDSACASA-N 278.243 0.831 10 10 CCCE C[C@@H](N)c1ccc(N2CC[C@@](O)(CO)C2)c(F)c1 313883054 PAPNJZURGTZTLZ-RNCFNFMXSA-N 254.305 0.779 10 10 CCCE C[C@H](O)c1ccc(N2C[C@@H](O)C[C@H](O)C2)c([N+](=O)[O-])c1 2161394374 QNMWWMJIZHFPPZ-LSJOCFKGSA-N 282.296 0.580 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3C[C@H]4C[C@H]3C[C@@H]4O)cc21 2172094351 SLXWVSULVHIUQP-DURYJLSESA-N 273.336 0.622 10 10 CCCE C[C@H](c1ccccc1O)N(C)C(=O)C[C@H](O)CN 703339226 WFYAMIUYXHAWGZ-ZJUUUORDSA-N 252.314 0.621 10 10 CCCE Nc1ccc(OCCNC(=O)[C@@]23COC[C@H]2C3)cc1 689181593 OBJJMOMIFLQDMT-YGRLFVJLSA-N 262.309 0.800 10 10 CCCE C[C@@H](C(N)=O)N(C)CC(=O)N(C)c1ccc(N)cc1 711089553 KHRDNICPRQCAMD-VIFPVBQESA-N 264.329 0.037 10 10 CCCE C[C@@H](NC1CS(=O)(=O)C1)c1ccc(O)cc1O 380106207 JSKOJNOGIUDNNT-SSDOTTSWSA-N 257.311 0.545 10 10 CCCE CN(C(=O)CN1CC[C@@](C)(CO)C1)c1ccc(N)cc1 381695104 GBEUQMUHRDWXOP-OAHLLOKOSA-N 277.368 0.936 10 10 CCCE COC(=O)[C@]1(NCCCN=[N+]=[N-])CCOC[C@@H]1OC 382047206 VVSZBBZBENDPJJ-ONGXEEELSA-N 272.305 0.624 10 10 CCCE CNCc1ccc(N2CC(O)(C(=O)OC)C2)cc1Cl 714462860 RVVDRLYKKQRXEH-UHFFFAOYSA-N 284.743 0.784 10 10 CCCE CN(C)C[C@H](CO)NCc1ccc(N(C)C)cc1 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10 10 CCCE COc1cc(CN2CCNCC2)ccc1N1CCNCC1 212639115 OZRGDQBGXNOPSV-UHFFFAOYSA-N 290.411 0.510 10 10 CCCE CNC(=O)CCCNC(=O)c1cc(O)c(O)c(O)c1 2132351632 YXIHTYAXIIOESW-UHFFFAOYSA-N 268.269 0.059 10 10 CCCE CN(C(=O)c1cc(O)c(O)c(O)c1)[C@@H]1[C@@H]2CNC[C@@H]21 2132407376 OYSALRUAXSKRER-AKZRSSKFSA-N 264.281 0.093 10 10 CCCE CN(C(=O)CN(C)C1CC(O)C1)c1ccc(N)cc1 1914588719 YTRFJWOFVHMEIF-UHFFFAOYSA-N 263.341 0.687 10 10 CCCE Nc1ccc(CS(=O)(=O)NC[C@H]2[C@H]3CN[C@H]2C3)cc1 2138288989 PNMHPJAVSBPWST-WXHSDQCUSA-N 281.381 0.296 10 10 CCCE CCN[C@H]1C(=O)Nc2cc(N3CCNC(=O)C3)ccc21 102453120 CHUOZUAXXRHNOM-CYBMUJFWSA-N 274.324 0.226 10 10 CCCE CN(C)[C@H]1COC[C@@H]1NCc1cc2c(cc1O)OCO2 1921992775 SSBKMQYTFASCHZ-QWRGUYRKSA-N 280.324 0.540 10 10 CCCE CN(C)[C@H]1COC[C@@H]1NCc1ccc(O)cc1O 1922023095 ODXGVNTURMPFLJ-RYUDHWBXSA-N 252.314 0.516 10 10 CCCE Cc1cccc(O)c1CN1CC(=O)NC[C@@H]1C(=O)O 2136351336 XDYPYXRYVRKAIN-SNVBAGLBSA-N 264.281 0.086 10 10 CCCE CC[C@@H](C)[C@@H](CO)NC(=O)c1cc(O)c(O)c(O)c1 2136489515 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278.308 0.205 10 10 CCCE CNC(=O)OC1CN(Cc2cc(N)ccc2O)C1 2030283206 MYXGXRUPNATMRB-UHFFFAOYSA-N 251.286 0.515 10 10 CCCE CC[C@](C)(NC(=O)[C@H]1CNc2ccccc2N1)C(N)=O 312263401 OWMIAPFCZLWGMO-RISCZKNCSA-N 276.340 0.663 10 10 CCCE NC[C@H]1CN(C(=O)c2cccc(O)c2O)CCCO1 313388862 TWEBBXSMFDRWHC-VIFPVBQESA-N 266.297 0.288 10 10 CCCE COc1ccc(N2CCC(O)(CO)CC2)c(N)c1 313642123 JMHHDXMXUUQJFJ-UHFFFAOYSA-N 252.314 0.601 10 10 CCCE CN1CCCc2cc(CN[C@H]3COC[C@H]3O)ccc21 323531502 KPTCDQVIIZCNEB-DZGCQCFKSA-N 262.353 0.918 10 10 CCCE CCNCc1ccc(N2C[C@H](CO)[C@@H](CO)C2)c(F)c1 704766067 XMXUGBYOLKWVSH-CHWSQXEVSA-N 282.359 0.972 10 10 CCCE COC(=O)C1(O)CN(c2ccc(CN)c(F)c2)C1 714489579 ZRVKLYBSQOBUHT-UHFFFAOYSA-N 254.261 0.009 10 10 CCCE C[C@H]1[C@@H](CO)CCN1C(=O)c1cc(O)nc(O)c1 385865878 IFSFBWBRKIOQHD-JGVFFNPUSA-N 252.270 0.336 10 10 CCCE CCN1CCc2cc([C@H](NN)c3nnn(C)n3)ccc21 2163152252 QXLSBPGUTOBPOF-LBPRGKRZSA-N 273.344 0.145 10 10 CCCE Cn1nnnc1CNCc1cccc(Br)c1O 389314947 YBMAVTSTLAYNDU-UHFFFAOYSA-N 298.144 0.968 10 10 CCCE CC1(C)CNC[C@@H]1NC(=O)c1cc(O)nc(O)c1 721866073 MLPVELMZKASLLQ-QMMMGPOBSA-N 251.286 0.221 10 10 CCCE COc1cc(N)c(N2CC[C@H](O)[C@H](CO)C2)cc1OC 396866057 XZAMNMDYKCJALL-CABZTGNLSA-N 282.340 0.466 10 10 CCCE CC[C@H]1CN(C(=O)COc2ccc(N)cc2)C[C@H]1O 399918299 KLUHIAYHIBGUPF-GXFFZTMASA-N 264.325 0.877 10 10 CCCE O=C1N[C@@]2(C(=O)Nc3ccc(O)c(O)c3)C[C@H]3C[C@@H]1[C@H]2C3 2065176615 NDEKPZHZORNPFR-NGGCWDATSA-N 288.303 0.951 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3[C@H]4CC[C@@H](C4)[C@H]3CO)ccc21 2178689821 UJNGRNHAZBJBFZ-AWRWRYAPSA-N 273.336 0.988 10 10 CCCE O=C1CN(c2ccc3c(c2)NC(=O)[C@@H]3O)[C@H]2CC[C@@H]2N1 2168362298 LMEAMNZNOYWVRQ-XHVZSJERSA-N 273.292 0.139 10 10 CCCE COc1cccc(O)c1CNC1CN([C@H]2CCOC2)C1 2169356333 VZSSRJCOMXVLFF-LBPRGKRZSA-N 278.352 0.964 10 10 CCCE Nc1ccc(NC(=O)N=c2cc3n([nH]2)CCNC3)cc1 2191536723 UAWJQITWPZDIBB-UHFFFAOYSA-N 272.312 0.634 10 10 CCCE COc1cc(N)c(N2CC[C@@H](OCCN)C2)cc1OC 2191614788 JNNFXNSXDSVNEU-SNVBAGLBSA-N 281.356 0.840 10 10 CCCE C[C@@]1(CO)C[C@@H](O)CN1c1ccc(CO)c([N+](=O)[O-])c1 2188573122 AUOPSZJEFRDOAW-YPMHNXCESA-N 282.296 0.409 10 10 CCCE OCc1cc(F)c(N2C[C@@H]3C[C@H](C2)[C@H](O)[C@@H]3O)c(F)c1 2182550332 KXPYYMIOQAFDFD-LPQAMYBRSA-N 285.290 0.635 10 10 CCCE Cn1[nH]c(CNCc2c(O)cccc2F)cc1=O 2042603282 SWKDHEVGDIUYGZ-UHFFFAOYSA-N 251.261 0.848 10 10 CCCE NCc1ccc(N2CC[C@H]3C(=O)NC(=O)[C@@H]3C2)cc1 2102552497 LSABGEZUTGOGQJ-VXGBXAGGSA-N 259.309 0.244 10 10 CCCE C[C@@H](c1ccccc1O)N(C)C(=O)[C@H](O)CCN 2064343396 ODJPYLXRVKASCJ-JOYOIKCWSA-N 252.314 0.621 10 10 CCCE COCC1(NC(=O)Nc2ccc(N)cc2)COC1 2068964082 YYLBVSDMEBNFAP-UHFFFAOYSA-N 251.286 0.806 10 10 CCCE COc1ccc(CN[C@]2(CO)C[C@H](O)C2)c(O)c1 2076627133 BYDQLRCWMPREST-GSJFWJNXSA-N 253.298 0.376 10 10 CCCE OCc1ccc(N2CC[C@H](O)C[C@@H]2CO)c(F)c1 2080493120 YXKOQMJXSNXGFD-MNOVXSKESA-N 255.289 0.640 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CC(F)(F)C[C@@H]1CO 2102780723 PEEDTCPPINGBHU-MRVPVSSYSA-N 273.235 0.940 10 10 CCCE CS[C@H]1CNC[C@@H]1NC(=O)c1ccc(O)c(O)c1 2084780112 RKNJLWOQTVVPJF-KWQFWETISA-N 268.338 0.531 10 10 CCCE CS[C@H]1COC[C@@H]1Nc1c(N)cccc1C(N)=O 2086356521 ZEOPBCIJIWILPD-UWVGGRQHSA-N 267.354 0.910 10 10 CCCE C[C@@](O)(CCO)CNCc1cc2c(cc1O)OCO2 2107442620 IXRZHFMFKFIGSU-CYBMUJFWSA-N 269.297 0.344 10 10 CCCE CN1CCN(CC(=O)Nc2ccc(N)cc2)[C@@H]2C[C@@H]21 2112083731 SBSGVWVAUVOLCA-QWHCGFSZSA-N 260.341 0.596 10 10 CCCE NCc1ccc(N2CC34COCC3(COC4)C2)cc1 2093990920 NCKQIDJILOMULB-UHFFFAOYSA-N 260.337 0.999 10 10 CCCE CN(CC(=O)c1ccc(O)c(O)c1)CC(F)(F)CO 2094618149 WDOOVDHMPOTLSE-UHFFFAOYSA-N 275.251 0.840 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC2(CC2)C[C@H]1CO 2099086665 CCFLIJVWOYJLAQ-VIFPVBQESA-N 264.281 0.480 10 10 CCCE N[C@H]1CN(Cc2cc(F)cc(F)c2O)CC[C@@H]1CO 2122349720 VNUWKMAZVOXSKT-PELKAZGASA-N 272.295 0.812 10 10 CCCE CCNCc1ccc(N2C[C@@H](CO)[C@@H](O)C2)cc1OC 2204556100 BTWFTQREXFYNAG-JSGCOSHPSA-N 280.368 0.594 10 10 CCCE CN[C@@H]1CCc2cc(N3C[C@H](O)[C@H](O)[C@H]3CF)ccc21 2205610563 KPZLLFJBEIZIHA-APIJFGDWSA-N 280.343 0.773 10 10 CCCE C[C@@H](NC(=O)COc1ccc(N)cc1)[C@@H]1CCCN1 2271329965 ZVTKWOHTEFSTQM-MFKMUULPSA-N 263.341 0.904 10 10 CCCE CNCc1ccc(N2CC[C@](O)(CO)[C@H](O)C2)c(C)c1 2234098554 UNQHMHPIJRXBIB-CABCVRRESA-N 280.368 0.009 10 10 CCCE Cc1c(C)c(=NCCc2ccc(O)c(O)c2)[nH][nH]c1=N 2234343603 JXBGJGJXQFCLGA-UHFFFAOYSA-N 274.324 0.994 10 10 CCCE Nc1ccc(OC[C@@H](O)CN2C[C@@H](O)C[C@H](F)C2)cc1 2234671239 OINVIPFFSRZINL-DRZSPHRISA-N 284.331 0.413 10 10 CCCE CNCc1cc(OC)ccc1N(CCO)CCN(C)C 2235961281 YDAQZYNPZCZCNR-UHFFFAOYSA-N 281.400 0.775 10 10 CCCE COc1ccc(N2C[C@H]3C(C(N)=O)[C@@H]3C2)c(CO)c1 2227676013 PPCGQGNEEPWKEW-GHMZBOCLSA-N 262.309 0.355 10 10 CCCE COc1ccc(N2C[C@H](CO)C[C@@H](CO)C2)c(N)c1 2228398139 ANPVVJMHHGELQT-GHMZBOCLSA-N 266.341 0.705 10 10 CCCE CNC(=O)[C@@H]1COCCN1c1ccc([C@@H](C)O)cc1C 2240831385 UDPIDUPJVXYDPZ-RISCZKNCSA-N 278.352 1.000 10 10 CCCE COC[C@H]1C[C@@H](CN)N(Cc2ccc(O)cc2O)C1 2273799044 JTNKCPLXWZSLNZ-JQWIXIFHSA-N 266.341 0.893 10 10 CCCE COC(=O)N[C@H](C)CNCc1cc2c(cc1O)OCO2 2290373477 QRCAKLHLUSVWPB-MRVPVSSYSA-N 282.296 0.955 10 10 CCCE CN(C)c1ccc(OC[C@@H]2COCC3(CNC3)O2)cc1 2279192102 NKOPMMDEDKNAEN-AWEZNQCLSA-N 278.352 0.889 10 10 CCCE Nc1ccc(OCCN2C(=O)[C@H]3CC[C@H]3S2(=O)=O)cc1 2283144904 QSKWXBBLVQHJAY-NWDGAFQWSA-N 296.348 0.598 10 10 CCCE CN(C)C(=O)CN1CCc2cc(O)c(O)cc2C1 2318665084 HZMDCVDJVCAAMS-UHFFFAOYSA-N 250.298 0.544 10 10 CCCE CNCc1cc(F)c(N2CC([C@H](O)CO)C2)c(F)c1 2336766667 LMIILZAMGORWAK-GFCCVEGCSA-N 272.295 0.474 10 10 CCCE COC1CN(CCNC(=O)c2ccc(O)c(O)c2)C1 2340020934 IMHNRYGGTKFURR-UHFFFAOYSA-N 266.297 0.158 10 10 CCCE Nc1ccc(CCNS(=O)(=O)CCOCCF)cc1 2340035175 IXQWYNGQVCECIT-UHFFFAOYSA-N 290.360 0.717 10 10 CCCE O=S1(=O)CCC[C@@](O)(CNCc2ccccc2O)C1 2342576800 PWURLDTZAXTSEH-CYBMUJFWSA-N 285.365 0.422 10 10 CCCE C[C@@H]1CN(C(=O)[C@@H](N)Cc2ccc(O)c(O)c2)CCCO1 61920209 OALBJRUCOQUDDB-PWSUYJOCSA-N 294.351 0.605 10 10 CCCE CCOc1cccc(CNCC(=O)N(C)C)c1O 37225413 CHVJLFKEEPFPLS-UHFFFAOYSA-N 252.314 0.969 10 10 CCCE C[C@@H](O)[C@H](N)c1nc(-c2ccc(O)c(O)c2)no1 300459274 HYKBEQUBMYKQQM-ANLVUFKYSA-N 251.242 0.528 10 10 CCCE CN(C)c1ccc([C@@H](Cc2ncnn2C)NN)cc1 97750114 OOCJKYGBKHONSI-GFCCVEGCSA-N 260.345 0.628 10 10 CCCE O=[N+]([O-])c1n[nH]c(N=Nc2nc([N+](=O)[O-])n[nH]2)n1 254439425 ONTREPBSCWLOKI-UHFFFAOYSA-N 254.126 0.155 10 10 CCCE COC(=O)[C@@H](CF)NC(=O)c1cccc(O)c1O 807843538 VQAXAXPKWWBXQL-SSDOTTSWSA-N 257.217 0.339 10 10 CCCE COc1ccc(N2C[C@@H](N)C[C@H](C(N)=O)C2)c(OC)c1 2162659593 MUSCRYOELXCBNK-UWVGGRQHSA-N 279.340 0.343 10 10 CCCE Nc1ccc(CC(=O)N[C@@H]2CCn3ncnc3C2)cc1 2165281963 QBIQQFWYSHVFSJ-GFCCVEGCSA-N 271.324 0.534 10 10 CCCE CCOc1cccc(CN2CCOC[C@@H](O)C2)c1O 294934245 ZQJMULPCSNTAKQ-LBPRGKRZSA-N 267.325 0.984 10 10 CCCE O=C1Nc2cc(N3C[C@@H]4C[C@H]3CO4)c(F)cc2[C@H]1O 718274872 DTXNZUXICQKIRT-DJOAAKCGSA-N 264.256 0.789 10 10 CCCE CNC(=O)N1CCN(C(=O)c2ccc(O)c(O)c2)CC1 722175147 YTGOPYXNMOZEAW-UHFFFAOYSA-N 279.296 0.195 10 10 CCCE COC[C@H]1C(=O)N[C@@H](c2cc(OC)ccc2O)N1C 840828049 FHMCDSCIEPKELR-CMPLNLGQSA-N 266.297 0.476 10 10 CCCE C[C@@H](NC[C@@H](O)CS(C)(=O)=O)c1c(O)cccc1F 927030687 XZSWEHAOWLIUBJ-RKDXNWHRSA-N 291.344 0.587 10 10 CCCE O=S(=O)(N1CCC1)N1Cc2cccc(O)c2C1 867690189 CDTVPPVEVDPGTA-UHFFFAOYSA-N 254.311 0.658 10 10 CCCE CO[C@H]1CS(=O)(=O)C[C@@H]1N(C)Cc1cc(C)ccc1O 697036899 NLAATVPMPZAXKN-JSGCOSHPSA-N 299.392 0.944 10 10 CCCE COc1ccc(N2CCC(NC[C@@H](O)[C@H](C)O)CC2)cc1 865739366 VDCWPDJKISILNC-BLLLJJGKSA-N 294.395 0.995 10 10 CCCE CN(C)CCCS(=O)(=O)N1Cc2cccc(O)c2C1 867690223 DCVMJPBQVOAWNR-UHFFFAOYSA-N 284.381 0.989 10 10 CCCE Cn1c(CC(=O)O)cc(=O)n2nc(-c3cnccn3)cc12 71470212 LDCGUJJLPZHFNE-UHFFFAOYSA-N 285.263 0.117 10 10 CCCE Nc1ccc(OCC(=O)NC[C@@]23CNC[C@H]2C3)cc1 1876452253 WWNWMALEJOYFIU-QMTHXVAHSA-N 261.325 0.373 10 10 CCCE Nc1ccc(OCCC(=O)NO[C@@H]2CCOC2)cc1 1878744695 LWOZSNPPXXVZNL-GFCCVEGCSA-N 266.297 0.874 10 10 CCCE CC(=O)N[C@@H]1CCN(C(=O)COc2ccc(N)cc2)C1 133343513 GRXNZTDNRRDWMU-GFCCVEGCSA-N 277.324 0.385 10 10 CCCE CN(C)C(=O)/C=C/C(=O)N(C)Cc1ccccc1O 1149871206 AFPNOLXEOHPNPY-CMDGGOBGSA-N 262.309 0.995 10 10 CCCE C[C@@H](O)[C@@H]1CN(C(=O)Cc2ccc(N)cc2)CCO1 1964377163 GQPXYNOPEOCVKY-MFKMUULPSA-N 264.325 0.420 10 10 CCCE CN(Cc1ccccc1O)S(=O)(=O)c1cnc(N)nc1 722275530 OHASLGVMAAXLBC-UHFFFAOYSA-N 294.336 0.585 10 10 CCCE CN1CC[C@@H](N(C)c2cc3c(cc2N)OCCO3)C1=O 690331330 ISQFSOQIBLVCRV-SNVBAGLBSA-N 277.324 0.707 10 10 CCCE COC[C@H]1CCN(C[C@H](O)COc2ccc(N)cc2)C1 81041378 URHYGNLBGKKNQW-JSGCOSHPSA-N 280.368 0.977 10 10 CCCE CN1CCN(C(=O)CCc2ccc(N)cc2)CC1=O 84189673 PAHVOKUXMYNFFR-UHFFFAOYSA-N 261.325 0.502 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3CCNC(=O)C3)c(Cl)cc21 92749986 NGFXLSIOZUKCNL-LBPRGKRZSA-N 294.742 0.489 10 10 CCCE COc1cc([C@@H](O)C(=O)C(C)=O)cc2c1OCCO2 1919050180 WIMRAWSJTVUCFN-GFCCVEGCSA-N 266.249 0.658 10 10 CCCE CN[C@H]1CCCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1C 2115359185 NZEGLYWZDWSNLC-SCZZXKLOSA-N 265.313 0.705 10 10 CCCE O=S1(=O)C[C@@H]2C(CNCc3cccc(O)c3O)[C@H]2C1 2117991086 ZFVSKNNDSWAGST-GHMZBOCLSA-N 283.349 0.478 10 10 CCCE COc1ccc(N2[C@@H](C)CNC[C@@H]2CO)cc1OC 217179413 GVHQLZAATAABSZ-CMPLNLGQSA-N 266.341 0.863 10 10 CCCE Nc1ccc(OC[C@@H](O)CN2CC=C[C@@H]2CO)cc1 2119816717 VSUWNFIGPOWGKV-OLZOCXBDSA-N 264.325 0.241 10 10 CCCE C[C@@H](NC(=O)Cc1ccc(N)cc1)c1nc(=O)o[nH]1 2121345911 MXQODJKLBLQVOG-SSDOTTSWSA-N 262.269 0.365 10 10 CCCE N[C@H]1CCN(c2ccc3c(c2)OCCO3)C[C@@H]1CO 2122392362 OGSSYJQCXVOONY-PWSUYJOCSA-N 264.325 0.604 10 10 CCCE c1cc(N2CCOCC2)ccc1CNn1cnnc1 5616363 YIJPKBWNTOJMQL-UHFFFAOYSA-N 259.313 0.858 10 10 CCCE Cn1cc(CCC(=O)NCc2ccc(O)cc2O)nn1 1570462886 ACXGIIJYSOFFFN-UHFFFAOYSA-N 276.296 0.475 10 10 CCCE [N-]=[N+]=N[C@@H]1CCN(S(=O)(=O)N2CCC(O)CC2)C1 1912177452 FAXIVFGFFQEJGH-MRVPVSSYSA-N 275.334 0.073 10 10 CCCE C[C@@H]1C[C@](NCCCN=[N+]=[N-])(C(=O)O)CCS1(=O)=O 1912183040 KHLQPAOEWNXKJQ-SCZZXKLOSA-N 290.345 0.697 10 10 CCCE COC[C@@](O)(CO)CNCc1cc(F)cc(F)c1O 1966068505 WTJVLLQVZNCERK-LBPRGKRZSA-N 277.267 0.130 10 10 CCCE O=C(c1cccc(O)c1O)N1C[C@@H](O)C[C@@H](F)C1 1966121425 CBNUHFLVWTZPJD-SFYZADRCSA-N 255.245 0.643 10 10 CCCE O=C(c1cccc(O)c1O)N1C[C@@H](F)C[C@@H](O)C1 1966121423 CBNUHFLVWTZPJD-JGVFFNPUSA-N 255.245 0.643 10 10 CCCE C[C@H](N[C@H]1CCS(=O)(=O)C1)c1ccc(O)cc1O 19899997 DGDVZPRQDHSRER-IUCAKERBSA-N 271.338 0.936 10 10 CCCE NC(=O)N1CCN(c2ccc3c(c2)CC[C@@H]3N)CC1 2128318000 IWHPDHUGVGIHCH-ZDUSSCGKSA-N 260.341 0.833 10 10 CCCE CN1C[C@@H]2C[C@H](C1)CN2C(=O)c1cccc(O)c1O 1269608075 SHAMQXOMFDCDRG-ZJUUUORDSA-N 262.309 0.874 10 10 CCCE C[C@H](CCCO)CNC(=O)c1cc(O)c(O)c(O)c1 2132348931 VQVNTZXDZQLTKD-MRVPVSSYSA-N 269.297 0.942 10 10 CCCE N[C@H]1CC=C(C(=O)N2CCCc3nnc(O)cc32)C1 2141173279 KGNCSJKPNSFPMA-VIFPVBQESA-N 260.297 0.509 10 10 CCCE NCc1ccc(N2CC(O)(C(N)=O)C2)c(C(F)(F)F)c1 1915206569 WYBVNEZJFHDSIA-UHFFFAOYSA-N 289.257 0.201 10 10 CCCE CC[C@H]1C(=O)NCCN1CC(=O)c1ccc(O)c(O)c1 110681370 FBWVJXIAENDAFG-JTQLQIEISA-N 278.308 0.491 10 10 CCCE CNC(=O)[C@H](C)N(C)c1cc2c(cc1Cl)[C@@H](N)C(=O)N2 1916821181 OKWRMWJHPJPNGA-UPONEAKYSA-N 296.758 0.863 10 10 CCCE Oc1cc(F)ccc1CNCCN1CC2(COC2)C1 1967703194 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[N-]=[N+]=NCCNC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)O 2312334040 JNMUCIPQVGSUPT-FKSUSPILSA-N 254.246 0.291 10 10 CCCE O=[N+]([O-])c1cc(CO)ccc1N1C[C@@H]2C[C@H]1[C@@H]2CO 2333088371 HBCRZUQZLSCXEQ-UMNHJUIQSA-N 264.281 0.904 10 10 CCCE Cc1cc(N2C[C@@H]3C[C@H]2[C@@H](O)[C@H]3O)ccc1[C@@H](C)N 2334468756 JNOIHLOJLIWOKU-BUVBEKAXSA-N 262.353 0.945 10 10 CCCE O=c1c2c(ccn1CC13CC(F)(CO1)C3)CCNC2 2353115894 QQDUDENODIRAMF-UHFFFAOYSA-N 264.300 0.765 10 10 CCCE CS(=O)(=O)Cc1noc(-c2cccc(O)c2O)n1 126858638 DPHUFSQZONASRN-UHFFFAOYSA-N 270.266 0.692 10 10 CCCE COCCN(CCOC)c1ccc2c(c1)N(C)C(=O)[C@@H]2N 131355397 OYWVWPQRUVYIAO-CQSZACIVSA-N 293.367 0.762 10 10 CCCE CC(C)CNC(=O)CN(C)CC(=O)c1ccc(O)c(O)c1 228291263 XSIBFGCCBIAOIE-UHFFFAOYSA-N 294.351 0.985 10 10 CCCE C[C@@H]1CN(C(=O)[C@@H](N)Cc2ccc(O)c(O)c2)[C@H](C)CO1 40460154 HTEPXMSENBEDMJ-FOGDFJRCSA-N 294.351 0.603 10 10 CCCE CC[C@H](CO)NC(=O)CCOc1ccc(N)cc1 40303345 JYWNBBIPJCNXID-LLVKDONJSA-N 252.314 0.925 10 10 CCCE 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C[C@@H]1C[C@H](CO)CN1C(=O)c1cc(O)c(O)c(O)c1 2132350945 RSQIFQUXUBFMPO-SFYZADRCSA-N 267.281 0.646 10 10 CCCE Nc1ccc(CC(=O)NC[C@@H]2[C@H]3CCNC[C@H]32)cc1 2138813374 QSYZRXVJVLJZQO-BFHYXJOUSA-N 259.353 0.783 10 10 CCCE N[C@H]1C[C@H](CCO)CN(c2ccc3c(c2)OCO3)C1 108216538 HBMVUEMGXWHXSV-QWRGUYRKSA-N 264.325 0.951 10 10 CCCE CN(C)c1ccc(CNC(=O)c2cc(CN)[nH]n2)cc1 1966787187 ULOPXFOMCPJKSB-UHFFFAOYSA-N 273.340 0.864 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N(C)[C@@H]3CCNC3=O)ccc21 1916798197 FGFCWXHNKZTOTN-VXGBXAGGSA-N 274.324 0.224 10 10 CCCE COCC[S@@](C)(=O)=NC(=O)COc1ccc(N)cc1 1918072249 NKUKEENHJFICRD-LJQANCHMSA-N 286.353 0.918 10 10 CCCE C[C@H]1CN(c2ccc3c(c2)N(C)C(=O)[C@H]3N)CCN1C 251815083 ORNHXOOCOMCLKU-HZMBPMFUSA-N 274.368 0.803 10 10 CCCE C[C@@]1(C(=O)O)COCCN1Cc1ccc(O)c(O)c1 2136507080 OWDOAPCXVLJRRM-ZDUSSCGKSA-N 267.281 0.773 10 10 CCCE COc1cc2c(cc1OC)N(Cc1nnn(C)n1)CC2 1970282124 RCQDTLJSOCIOJS-UHFFFAOYSA-N 275.312 0.790 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)Nc1cnns1 127540145 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C[C@H](N)c1ccc(N2CC[C@@H]3C(=O)NC(=O)[C@H]3C2)cc1 2158788350 ZYPLWZYVIISHJZ-XDTLVQLUSA-N 273.336 0.805 10 10 CCCE CC[C@@H](N)c1ccc(N2C[C@H](O)[C@@H](CO)C2)cc1 316583662 WGZYMMWFGOASAX-BNOWGMLFSA-N 250.342 0.886 10 10 CCCE Nc1ccc(OCC(=O)NC[C@H]2CCNC(=O)C2)cc1 2161577020 AFNJVVFIPAHJKB-JTQLQIEISA-N 277.324 0.290 10 10 CCCE CN(C)C[C@H](NC(=O)CCc1ccc(N)cc1)C(=O)O 702221078 IOSAKIDQNGIOOC-LBPRGKRZSA-N 279.340 0.332 10 10 CCCE CS(=O)(=O)NC1CN(Cc2ccc(N)cc2)C1 703016799 WSGQVMQXNPRLRQ-UHFFFAOYSA-N 255.343 0.002 10 10 CCCE CC1(C)CCN1C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 706957377 VSFBRFZGROZMII-JTQLQIEISA-N 264.325 0.979 10 10 CCCE CN1CCO[C@@H]2CN(C(=O)c3cccc(O)c3O)C[C@@H]21 378034880 FNCAGQFDIHCKHO-CMPLNLGQSA-N 278.308 0.253 10 10 CCCE C[C@H](N[C@@H]1COCC[C@@H]1O)c1c(O)cccc1O 710892766 XPPKVJKYVSJCSQ-AEJSXWLSSA-N 253.298 0.898 10 10 CCCE C[C@H](N)c1ccc(N(C)[C@@H]2COC[C@@H]2O)cc1O 709334204 VQPMAJIEOCEFBP-KDDOJWQBSA-N 252.314 0.608 10 10 CCCE COc1cc(N)c(N(C)C[C@H](O)CN(C)C)cc1OC 690258608 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C[C@@]1(CNC(=O)c2ccc(O)c(O)c2)CC(=O)N1 2085313395 CRCCPOVGOFNFCK-LBPRGKRZSA-N 250.254 0.106 10 10 CCCE Nc1ccc(CC(=O)N2C[C@@H]3C(C(=O)O)[C@H]3C2)cc1 2087318559 WLWKXTYTRWZQEP-QWRGUYRKSA-N 260.293 0.600 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@H]2CC[C@H](CO)C2)cc1 2090019960 YEIQGMRMNBGLMV-AAEUAGOBSA-N 284.381 0.849 10 10 CCCE COc1cc(C(=O)N[C@H]2CC[C@@H](N)C2)cc(OC)n1 2110629319 WCVMYMHPOFDCMV-ZJUUUORDSA-N 265.313 0.708 10 10 CCCE O=C(O)[C@H]1[C@H]2[C@@H]1OCCN2Cc1cc(F)ccc1O 2092846999 VXYRDSSXDCBQAG-SDDRHHMPSA-N 267.256 0.815 10 10 CCCE COC[C@]1(O)CCN(C(=O)c2ccc(O)c(O)c2)C1 2095406521 ROEYJZGFKNIYRP-ZDUSSCGKSA-N 267.281 0.321 10 10 CCCE COCCNCc1ccc(OC[C@H](O)CO)c(C)c1 2098787586 DOBIYIBDWYMILT-CYBMUJFWSA-N 269.341 0.463 10 10 CCCE CC(C)(C)S(=O)(=O)C[C@](C)(NCCN=[N+]=[N-])C(N)=O 2114132990 DLSSHMARBHXLEZ-JTQLQIEISA-N 291.377 0.344 10 10 CCCE CC[C@@H](N)c1ccc(N2CC[C@@](O)(CO)[C@H](O)C2)cc1 2234102594 ZZOZACGZEGJVJT-RBSFLKMASA-N 280.368 0.391 10 10 CCCE COc1ccc(N2CCOC[C@H]2[C@H](O)CO)c(OC)c1 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Nc1cccc(C(=O)O)c1N[C@@H]1COCC[C@@H]1O 2046416891 LNSMXGDJUQBOQI-ZJUUUORDSA-N 252.270 0.529 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)[C@@H]2CC[C@H](C3CC3)N2)C1 2049783765 AMWWSJPJIUOMNE-HKWIRBFKSA-N 250.342 0.783 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CC2(CSC2)C1 2068623434 GVSGZDBKFBYJRM-UHFFFAOYSA-N 267.306 0.992 10 10 CCCE COC[C@H]1CNCCN1c1ccc(OC)cc1N 2071634329 BSOZHISYWBKHEE-SNVBAGLBSA-N 251.330 0.702 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)[C@@H]2CO[C@H]3COC[C@H]23)C1 2101883668 ARGIZMVVYNVJGB-ZDCRXTMVSA-N 266.301 0.807 10 10 CCCE C[C@@H](CNC(=O)c1cccc(O)c1O)[C@@H](F)C(=O)O 2105540110 KHGZUMHSWVTAEL-IMTBSYHQSA-N 271.244 0.886 10 10 CCCE CN(c1nccnn1)S(=O)(=O)Cc1ccc(N)cc1 2090657666 NVIHHKOEIJBBQP-UHFFFAOYSA-N 279.325 0.420 10 10 CCCE Nc1cc2c(cc1N1C[C@@H](O)C(F)(F)C1)OCCO2 2095739921 FROHOVCAPXAFAU-LLVKDONJSA-N 272.251 0.856 10 10 CCCE COc1ccc(N(CCCN)[C@H]2COC[C@@H]2O)cc1 2099401954 CWCQVZDRIKHYTL-KBPBESRZSA-N 266.341 0.610 10 10 CCCE Nc1ccc(NC(=O)CN2CC[C@H](O)C[C@@H]2CO)cc1 2200829953 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10 10 CCCE CSc1ncc(CNCCn2cc(C(=O)O)nn2)s1 2269092046 CZJPFSOBNAXXRM-UHFFFAOYSA-N 299.381 0.945 10 10 CCCE O[C@H]1[C@H](O)COC12CN(c1ccc(OC(F)F)cc1)C2 2295858209 RRTLWUOPMCZZCZ-MNOVXSKESA-N 287.262 0.599 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)[C@@H]1N[C@@H]2CC[C@H]1C2 2296566402 BSTITAXMCGQRJR-MISXGVKJSA-N 276.336 0.897 10 10 CCCE NCc1cc(F)c(N2CC([C@@H](O)CO)C2)cc1Cl 2315267528 ACCXYIDVDZXRBO-LBPRGKRZSA-N 274.723 0.727 10 10 CCCE O=C(N[C@H]1C[C@@H](C(=O)O)[C@H]2C[C@@H]12)c1cccc(O)c1O 2354890902 PECOVKQMQPNTNE-JLIMGVALSA-N 277.276 0.937 10 10 CCCE CC(=O)Nc1ccc(NC=C2C(=O)NC(=O)NC2=O)cc1 6022543 MFQWGZNRTCYCGT-UHFFFAOYSA-N 288.263 0.307 10 10 CCCE CC(=O)N1CC(NC(=O)c2ccc(C)c(O)c2O)C1 179515565 YCRPVEOGWMXAKW-UHFFFAOYSA-N 264.281 0.367 10 10 CCCE Nc1ccc(OCCC(=O)N2CC[C@H](O)C2)cc1 61707270 BUCFGIGYBMTDTG-NSHDSACASA-N 250.298 0.631 10 10 CCCE CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](N)CC(N)=O 37807433 VOKRZWLQDWTVTL-ZDUSSCGKSA-N 292.383 0.304 10 10 CCCE C[C@H](N[C@H](C)C(=O)N1CCOCC1)c1ccc(O)cc1O 228096070 QIJZUYIHWPHOFP-WDEREUQCSA-N 294.351 0.996 10 10 CCCE CC(C)(CO)CNS(=O)(=O)Cc1ccc(N)cc1 135056024 SJHKLHOCQCDZQY-UHFFFAOYSA-N 272.370 0.707 10 10 CCCE COc1cc2c(c(OC)c1OC)CN(CCN)CCN2C 527432272 YHWPQLIWPNVNKP-UHFFFAOYSA-N 295.383 0.923 10 10 CCCE CCC[C@H](NC(=O)CCc1ccc(N)cc1)C(N)=O 382181229 HVABHQQAYGKBEC-LBPRGKRZSA-N 263.341 0.972 10 10 CCCE CCCN(CC(N)=O)c1ccc2c(c1)NC(=O)[C@H]2N 723167544 QHKQBEQGKPDBAK-LBPRGKRZSA-N 262.313 0.340 10 10 CCCE Oc1cccc(CNC[C@@H]2C[C@H]3COC[C@@H]3O2)c1O 724620794 LKZNDCOKJCCZQW-GVXVVHGQSA-N 265.309 0.991 10 10 CCCE CN1CC[C@@H](NC(=O)NCc2c(O)cccc2F)C1=O 919751435 DETDOHDWMFUVFY-SNVBAGLBSA-N 281.287 0.561 10 10 CCCE Nc1ccc(CCNC(=O)c2cnc3n2CCOC3)cc1 851632560 SJMZXDAXSAKTFA-UHFFFAOYSA-N 286.335 0.968 10 10 CCCE O=C(NCc1c(O)cccc1F)NC[C@@H]1COCO1 923837564 NAFMCKFERZUFNA-MRVPVSSYSA-N 270.260 0.703 10 10 CCCE Cn1cc(C[C@@H](O)C(=O)NCc2c(O)cccc2F)cn1 928708510 NIGAHDVFASHUGS-CYBMUJFWSA-N 293.298 0.485 10 10 CCCE CNCc1ccc(N2C[C@H](O)C[C@H]2CO)c(C)c1 698175020 ONBNSOZGRVLXJI-QWHCGFSZSA-N 250.342 0.646 10 10 CCCE CN(C)CCCONS(=O)(=O)Cc1ccc(N)cc1 1876174188 JRZUSMCCKGIJGL-UHFFFAOYSA-N 287.385 0.572 10 10 CCCE Nc1ccc(CS(=O)(=O)NCCCC2(N)CC2)cc1 1876404182 SJMMTKSOBTVDRM-UHFFFAOYSA-N 283.397 0.960 10 10 CCCE Nc1ccc(OCC(=O)NCC[C@H]2C[C@@H](O)C2)cc1 1876572651 BYKFNIRKYXSEAV-KLPPZKSPSA-N 264.325 0.925 10 10 CCCE O=C1CCC([C@H]2NCCc3c2ccc(O)c3O)=NN1 75794317 GVJTYDRUQDCNQF-LBPRGKRZSA-N 261.281 0.551 10 10 CCCE COc1ccc(O)c([C@H](N)c2nnc(CO)o2)c1 83384300 WRUQJCDOHCATHC-JTQLQIEISA-N 251.242 0.324 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC3(CCCO3)C2)cc1 705732299 JZUXHUJMYZPBSJ-UHFFFAOYSA-N 282.365 0.963 10 10 CCCE C[C@@H]1CC[C@H](CO)CN1C(=O)c1cc(O)nc(O)c1 688733226 YPFTZCKPEJETSZ-BDAKNGLRSA-N 266.297 0.726 10 10 CCCE CS(=O)(=O)C1CC(NC(=O)COc2ccc(N)cc2)C1 716139603 SANQFLHEALVKNZ-UHFFFAOYSA-N 298.364 0.339 10 10 CCCE COc1ccc(N2CCN(C(=O)OCCO)CC2)cc1 92747550 QLDYQBOBZDPKFY-UHFFFAOYSA-N 280.324 0.946 10 10 CCCE CC(=O)C(=O)[C@@]1(O)CCN(C(=O)OCc2ccccc2)C1 1919093301 NRXMNYQNNDGBJN-OAHLLOKOSA-N 291.303 0.918 10 10 CCCE NC[C@H]1CCn2c(nnc2-c2cccc(O)c2O)C1 97882746 QRVZLCWPKFBEFL-QMMMGPOBSA-N 260.297 0.877 10 10 CCCE Cn1cc(CCC(=O)NCc2ccc(O)c(O)c2)nn1 1350934982 FXJSFLHGZNFIRF-UHFFFAOYSA-N 276.296 0.475 10 10 CCCE COc1ccc(N2CC(=O)NC[C@@H]2CC(=O)O)cc1 217063227 QVYFHZMJQGXHPR-JTQLQIEISA-N 264.281 0.475 10 10 CCCE CN(CC(=O)N1CCCC1)C(=O)Cc1ccc(O)c(O)c1 1642382135 QEFUWYSFDLTQSN-UHFFFAOYSA-N 292.335 0.721 10 10 CCCE CC(C)C[C@H](NC(N)=O)C(=O)N1CC[C@@H](N=[N+]=[N-])C1 1912206759 HSCJBVVIBAJTGH-BDAKNGLRSA-N 268.321 0.981 10 10 CCCE COCCCS(=O)(=O)N(C)CCCN=[N+]=[N-] 1912201431 UPWMJYQWYFSQSL-UHFFFAOYSA-N 250.324 0.985 10 10 CCCE COCCn1nc(C(=O)N2CC(N=[N+]=[N-])C2)ccc1=O 1912197843 ZFFCWIIIYVQYPN-UHFFFAOYSA-N 278.272 0.024 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)CCn2cnnn2)C1 1912196621 WRGAGTLPQUQAGE-QMMMGPOBSA-N 250.266 0.222 10 10 CCCE Cn1nncc1S(=O)(=O)N1CCC[C@@H](N=[N+]=[N-])C1 1912146251 AEQLRLWCTXMVRO-SSDOTTSWSA-N 271.306 0.279 10 10 CCCE CN1C[C@H](C(=O)N2CC[C@H](CN=[N+]=[N-])C2)CC1=O 1912148942 ZTOVDYQNYZTEDX-RKDXNWHRSA-N 251.290 0.624 10 10 CCCE CC1(C)CN(C(=O)COc2ccc(N)cc2)C[C@@H](CO)O1 162863656 AGQBYHHWHZOYLB-ZDUSSCGKSA-N 294.351 0.646 10 10 CCCE C[C@@H]1CN(c2ccc3c(c2)OCCO3)C[C@@H](CO)N1 251809448 YRDDTUNTAGFJIL-MNOVXSKESA-N 264.325 0.617 10 10 CCCE Nc1ccc(OCC(=O)N[C@@H]2COCC2(F)F)cc1 2131099560 DJIHKNDVBZGLFK-SNVBAGLBSA-N 272.251 0.798 10 10 CCCE c1cc2c(cc1N1CCN[C@H]3COC[C@@H]31)COCC2 2132567562 ISMOESWSBOODFD-GJZGRUSLSA-N 260.337 0.936 10 10 CCCE Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCC(O)(CO)CO 1913786615 OJDDHAGOLIOYMY-GHMZBOCLSA-N 281.352 0.554 10 10 CCCE Nc1ccc(O)c(CN2CC(S(=O)(=O)C(F)F)C2)c1 2141734404 FZVSCDMGQKBQJR-UHFFFAOYSA-N 292.307 0.796 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1NC[C@@H]2C[C@H]21 1906023288 IPYAOZYBDNMEKG-AXFHLTTASA-N 262.309 0.364 10 10 CCCE C[C@H](O[C@H](C)C(=O)O)C(=O)NCc1ccc(N)cc1 2142355915 XCZWEEZLMJSJEQ-DTWKUNHWSA-N 266.297 0.763 10 10 CCCE C[C@@H](NCc1ccc(N)cc1)C1CS(=O)(=O)C1 1944076742 XIDICKXUBZSIQR-SECBINFHSA-N 254.355 0.792 10 10 CCCE C[C@]1(c2ccc([N+](=O)[O-])cc2O)COCC(=O)N1 1951664473 APXALWSFSWABLK-LLVKDONJSA-N 252.226 0.662 10 10 CCCE COc1cc(Cl)cc([C@H](N)[C@@H](O)C(=O)O)c1O 1952507845 SCGSHXZOPMWTCA-IONNQARKSA-N 261.661 0.500 10 10 CCCE CCN1CCc2cc([C@H]3CS(=O)(=O)NCCN3)ccc21 1952744048 PPQYSWMUEGJUHO-CYBMUJFWSA-N 295.408 0.633 10 10 CCCE Cn1cc([C@H]2NC(=O)N(c3ccc(N)cc3)C2=O)cn1 131223549 FLZSALOJEOSZSK-LLVKDONJSA-N 271.280 0.800 10 10 CCCE C[C@@H]1C[C@@H](NC(=O)Cc2ccc(O)c(O)c2)CN1 1971759200 GCZQCBBGDRNTAP-PSASIEDQSA-N 250.298 0.507 10 10 CCCE CN(C(=O)CN1CC[C@@H](CO)C1)c1ccc(N)cc1 161602499 MUBJXBZXCNYXLF-LLVKDONJSA-N 263.341 0.546 10 10 CCCE O=C(O)c1cc(NS(=O)(=O)CCF)ccc1O 2008341756 GJMHAYBIDCRHSX-UHFFFAOYSA-N 263.246 0.802 10 10 CCCE C[C@H](NS(=O)(=O)[C@H](C)CN)c1ccccc1O 2017520756 KDCMELMLJGYUPP-BDAKNGLRSA-N 258.343 0.720 10 10 CCCE CN1CCO[C@H](CNCc2ccc(F)cc2O)C1 293523921 DIEXHTIKFMMIFN-GFCCVEGCSA-N 254.305 0.952 10 10 CCCE C[C@@H](NCc1ccc2c(c1)CCCO2)[C@@H](O)CO 2027297097 PLDNVKZYYZAPAG-MFKMUULPSA-N 251.326 0.843 10 10 CCCE C[C@H](N)CS(=O)(=O)Nc1ccc(O)cc1[N+](=O)[O-] 2035437238 HGFWUXFGUYZXRS-LURJTMIESA-N 275.286 0.389 10 10 CCCE CN1[C@H]2CC[C@@H]1C[C@@](NCCN=[N+]=[N-])(C(N)=O)C2 2041269240 NTXMUHAMFQRRQT-JZYVYDRUSA-N 252.322 0.367 10 10 CCCE CO[C@]1(CN)CCCN(C(=O)c2ccc(O)c(O)c2)C1 402797997 VUOPBDSPPCJDFG-AWEZNQCLSA-N 280.324 0.678 10 10 CCCE CO[C@H](C)CN(C)C[C@@H](O)COc1ccc(N)cc1 311484398 LUSAEOSYUPSBIY-DGCLKSJQSA-N 268.357 0.975 10 10 CCCE CO[C@@H]1CN(CCOc2ccc(N)cc2)[C@H]2COC[C@@H]12 2158354378 SAKPIYKHDCIGLT-QLFBSQMISA-N 278.352 0.993 10 10 CCCE Cc1cnc(N(CC(N)=O)Cc2ccc(N)cc2)nn1 2159193802 HFPOWSTVUWCZSD-UHFFFAOYSA-N 272.312 0.254 10 10 CCCE O=C1Nc2cc(N3C[C@H](F)[C@@H](CO)C3)c(F)cc2[C@H]1O 2177139631 PCUQPEQTHBNTAW-PUQNFTFYSA-N 284.262 0.578 10 10 CCCE C[C@H](N)c1ccc(N2CCN(C)C[C@@H]2CO)cc1O 703807367 UPZQEWXRBFECDR-CMPLNLGQSA-N 265.357 0.525 10 10 CCCE O=C1NCC2(CCN(c3ccc(CO)cc3F)CC2)N1 2177664758 IOFLMDJNQUJWAS-UHFFFAOYSA-N 279.315 0.970 10 10 CCCE CCNC(=O)[C@@H]1CNCCN1c1ccc(OC)cc1C 2162649085 XPUMHWGEGXAHME-AWEZNQCLSA-N 277.368 0.918 10 10 CCCE COCCOC1CN(CCOc2ccc(N)cc2)C1 707613106 MKHFNCLKZAJWKL-UHFFFAOYSA-N 266.341 0.995 10 10 CCCE Nc1ccc(CCC(=O)N2CCO[C@@H](CCO)C2)cc1 2172865953 CXVBSTFTEGBBPC-AWEZNQCLSA-N 278.352 0.811 10 10 CCCE CN1CC(CNS(=O)(=O)CCOc2ccc(N)cc2)C1 379432532 IBBDCCMSIIZTMW-UHFFFAOYSA-N 299.396 0.129 10 10 CCCE COCC1(O)CN(Cc2cc(C(C)=O)ccc2O)C1 384072228 UQTHNEHYLBWHRJ-UHFFFAOYSA-N 265.309 0.788 10 10 CCCE CCOc1cccc(CNCC(C)(CO)CO)c1O 393893592 DKOHGUDDOIXFBG-UHFFFAOYSA-N 269.341 0.871 10 10 CCCE CCN(c1ccc(CN)cc1)[C@H]1CS(=O)(=O)C[C@@H]1OC 829256124 QWOCPZRLFZZYJF-KBPBESRZSA-N 298.408 0.784 10 10 CCCE C[C@@H](O)[C@H]1CN(C(=O)COc2ccc(N)cc2)CCO1 2174154226 XTTJSSLAXWUWML-ZWNOBZJWSA-N 280.324 0.256 10 10 CCCE COc1ccc(O)c(CN2C[C@H]3OCCN(C)[C@@H]3C2)c1 775717885 TVWIGKQVMHBMFZ-UKRRQHHQSA-N 278.352 0.916 10 10 CCCE CCCN(CCc1ccc(N)cc1)[C@@H]1CC(=O)NC1=O 2171195187 FFIRAUVRDBSNEU-CYBMUJFWSA-N 275.352 0.938 10 10 CCCE CC1(C)[C@H](O)[C@@H](O)CN1C(=O)CCc1ccc(N)cc1 2181207327 PGOLHUFRFXWDAZ-GXTWGEPZSA-N 278.352 0.544 10 10 CCCE CN[C@H](C)c1ccc(N2C[C@@H](O)[C@H](O)C2(C)C)cc1O 2181217240 UHBCDEPUJOGPPA-FZQKWOKYSA-N 280.368 0.993 10 10 CCCE O=C(N[C@H]1CC(=O)N2CCC[C@@H]12)c1cccc(O)c1O 2188494404 NHWRFGPFYGUFCT-UWVGGRQHSA-N 276.292 0.591 10 10 CCCE C[C@@H](O)c1ccc(N2CC3(C2)OC[C@H](O)[C@@H]3O)c(F)c1 2183637435 BVXGQGCHAAXXGP-JCOFBHIZSA-N 283.299 0.190 10 10 CCCE NCCc1nc(C(=O)C(=O)C[C@H]2C[C@H](N)C2)cs1 2049783978 DKKGPLBQJMJPHB-ZKCHVHJHSA-N 267.354 0.524 10 10 CCCE C[C@@H](CO)N1CCN(c2ccc(CO)cc2)CC1 2050236864 WNEVOWWOSWYJCF-LBPRGKRZSA-N 250.342 0.682 10 10 CCCE C[S@@](=O)C1CN(S(=O)(=O)Cc2ccc(N)cc2)C1 2051895986 ZKZXWDVNGNWOHN-QGZVFWFLSA-N 288.394 0.161 10 10 CCCE NCC[C@H]1C[C@H](NC(=O)c2ccc(O)c(O)c2)C1 2053098437 IWLRREIFQKLPDH-CZMCAQCFSA-N 250.298 0.955 10 10 CCCE [N-]=[N+]=NCC1(CNC(=O)C[C@@H]2COCCO2)CC1 2054026962 RYXUCIRCLZEDKX-SECBINFHSA-N 254.290 0.999 10 10 CCCE Nc1ccc(OC[C@H](O)CS(=O)(=O)C2CC2)cc1 2057923226 HAVBQZSHDKRMDU-JTQLQIEISA-N 271.338 0.586 10 10 CCCE CCN(C)CCNC(=O)c1cc(O)c(O)c(O)c1 2068565689 DWGFVKADIIRDKL-UHFFFAOYSA-N 254.286 0.485 10 10 CCCE N[C@@H]1C[C@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)C12CCC2 2072040591 CUGATGZAOSXHGR-DNRKLUKYSA-N 250.342 0.770 10 10 CCCE NCc1ccc(N2CC[C@@H]3C(=O)NC[C@@H]3C2)cc1F 2100950557 UMHQRECCSKYHFI-PWSUYJOCSA-N 263.316 0.857 10 10 CCCE C[C@H](O)c1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CF)cc1 2084797365 IHLQQPKXFCRCQB-WTFGDDLMSA-N 255.289 0.620 10 10 CCCE O=C(N[C@]12COC[C@@H]1C2(F)F)c1ccc(O)c(O)c1 2105563100 ORGMLXHQYDGNRC-GXSJLCMTSA-N 271.219 0.862 10 10 CCCE CN(CCN)C[C@@H](O)c1ccc2c(c1)CCCN2C 2106832402 ZWQNKVSEDNAQRI-OAHLLOKOSA-N 263.385 0.993 10 10 CCCE Cc1nnn(C)c1CNCc1ccc(O)c(O)c1O 2096089870 QLVHLDKRVDBXHF-UHFFFAOYSA-N 264.285 0.530 10 10 CCCE CN1CCc2cc(CNC[C@@H]3COC[C@@H]3O)ccc21 2097829777 BIBJKKPAWFFTCC-HIFRSBDPSA-N 262.353 0.776 10 10 CCCE CNCc1ccc(N(C)[C@@H]2CC(=O)NC2=O)cc1C 2114728215 XFNCZQIFODCUPZ-GFCCVEGCSA-N 261.325 0.566 10 10 CCCE CC[C@H](NC)c1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CO)cc1 2201031846 BWGXLBUHXTZTEF-ZQDZILKHSA-N 280.368 0.260 10 10 CCCE CCNCc1ccc(N2C[C@H](O)C[C@@H](O)C2)cc1OC 2204548212 CHSRKSDPLLOBLA-ZIAGYGMSSA-N 280.368 0.737 10 10 CCCE COc1ccc(N2C[C@H](F)[C@@H](CO)C2)c(CO)c1 2220431483 UERJGFIWVVWLPL-PWSUYJOCSA-N 255.289 0.954 10 10 CCCE Cc1cc([C@H](C)O)ccc1N1CC2(CNC(=O)N2)C1 2232091647 JFRZDKZTCLUECV-JTQLQIEISA-N 261.325 0.920 10 10 CCCE CNCc1ccc(N2CC[C@](O)(CO)[C@@H](O)C2)c(C)c1 2234098555 UNQHMHPIJRXBIB-GJZGRUSLSA-N 280.368 0.009 10 10 CCCE Nc1ccc(CC(=O)N[C@@H]2CCC[C@H](O)[C@@H]2O)cc1 2224343365 UJXUDNICACGEAV-MBNYWOFBSA-N 264.325 0.202 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3C[C@@H](O)C[C@H](F)C3)cc21 2234672766 GSLOVOWPAYFQNU-GMOODISLSA-N 279.315 0.572 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N3C[C@@H](O)C[C@@H](F)C3)cc21 2234659434 GSLOVOWPAYFQNU-DVYJOKAKSA-N 279.315 0.572 10 10 CCCE CN(C)[C@H]1CN(c2ccc3c(c2)COCC3)C[C@H]1O 2226710908 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COc1ccnc(N(CC(N)=O)Cc2ccc(N)cc2)n1 37672395 DSUZCMRWBNCSPN-UHFFFAOYSA-N 287.323 0.559 10 10 CCCE CCCNCC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 44651133 QTWJYZVPJLZPPZ-JTQLQIEISA-N 296.323 0.209 10 10 CCCE O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccccc2O)c1 228415444 RVMPNPLWIRSSOR-GFCCVEGCSA-N 292.295 0.648 10 10 CCCE CCOC(=O)[C@H](CC)N(CC(N)=O)Cc1ccc(N)cc1 84104350 HUFBKIWPSWOWBC-ZDUSSCGKSA-N 293.367 0.898 10 10 CCCE O=C(O)[C@@H]1CSCCN1C(=O)c1ccc(O)c(O)c1 236434091 IEYVXNWTEKWLTI-QMMMGPOBSA-N 283.305 0.740 10 10 CCCE Nc1ccc(OCCCN2C[C@@H](O)[C@H](O)C2)cc1 236370777 BOONMSSSZNENAT-CHWSQXEVSA-N 252.314 0.075 10 10 CCCE O=S(=O)(NCCc1ccc(O)c(O)c1)c1cn[nH]c1 1260963051 ZLVVVZOZIILDKY-UHFFFAOYSA-N 283.309 0.342 10 10 CCCE CN1C[C@@H]2C[C@H](C1)N2C(=O)c1cc(O)c(O)c(O)c1 1270070011 SEOTWGQLRZOBPM-DTORHVGOSA-N 264.281 0.332 10 10 CCCE Nc1ccc(OC[C@@H](O)CN2CCOC3(CC3)C2)cc1 2168298859 DJGRSIPDQHZJGT-ZDUSSCGKSA-N 278.352 0.873 10 10 CCCE COc1cc(C(=O)N[C@H]2CNC[C@@H](C)C2)cc(OC)n1 2166943235 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KBYGUPKVCQDPRH-JTQLQIEISA-N 255.270 0.111 10 10 CCCE NC(=O)N[C@H]1CCCN(CCc2ccc(N)cc2)C1 702146351 DUHATFVZDMNSCX-ZDUSSCGKSA-N 262.357 0.944 10 10 CCCE CN1CC[C@@](O)(CCN)c2cc3c(cc21)OCCO3 84801696 YLSSRDYKRGREDC-AWEZNQCLSA-N 264.325 0.834 10 10 CCCE CNCc1ccc(N2CCC(NS(C)(=O)=O)CC2)cc1 703167299 NLPYBQADXXVLIB-UHFFFAOYSA-N 297.424 0.924 10 10 CCCE Nc1ccc(N2CCC[C@H](S(N)(=O)=O)C2)cc1 707458909 BVIZMJBNSYBZOI-NSHDSACASA-N 255.343 0.526 10 10 CCCE COC1(OC)CC[C@@H]1NC(=O)c1cccc(O)c1O 711407905 RCKRLGKRWCKGAD-JTQLQIEISA-N 267.281 0.979 10 10 CCCE CC(C)[C@@H](NC(=O)COc1ccc(N)cc1)C(=O)O 1860080783 PIOBMXZLVIWVQA-GFCCVEGCSA-N 266.297 0.873 10 10 CCCE CCOC(=O)CCS(=O)(=O)NCC1(CN=[N+]=[N-])CC1 2117723968 HECRXSIEWUIMKB-UHFFFAOYSA-N 290.345 0.950 10 10 CCCE CCNC(=O)[C@@H](C)NC(=O)Cc1ccc(O)c(O)c1 1463994145 HOZOCTBKNNPJHR-MRVPVSSYSA-N 266.297 0.281 10 10 CCCE CC(=O)N1CCCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1539532484 UXCXFUNBUBQGKR-UHFFFAOYSA-N 292.335 0.721 10 10 CCCE Cn1nccc1COCC(=O)NCc1c(O)cccc1O 1472063312 HBRCKMGWZUFTHV-UHFFFAOYSA-N 291.307 0.664 10 10 CCCE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1C[C@H]1C(N)=O 1636058716 OJUFADRPBMQWNS-DTWKUNHWSA-N 283.324 0.616 10 10 CCCE CCOC(=O)[C@@H](C)CNC(=O)Cc1ccc(O)c(O)c1 1634966786 DJTWUTHLKXJEMI-VIFPVBQESA-N 281.308 0.956 10 10 CCCE CN(CCN=[N+]=[N-])C(=O)C1CCS(=O)(=O)CC1 1912151591 JETPBEWBORWYDK-UHFFFAOYSA-N 260.319 0.580 10 10 CCCE [N-]=[N+]=NCC1CCN(S(=O)(=O)N2CC[C@@H](O)C2)CC1 1912157224 XDOVANIFGMRCHE-SNVBAGLBSA-N 289.361 0.320 10 10 CCCE COC1(C(N)=O)CN(c2ccc3c(c2)CC[C@H]3O)C1 2128316320 DBSOQRUJHZFUCY-GFCCVEGCSA-N 262.309 0.357 10 10 CCCE C[C@@H]1CO[C@@H](CO)CN1CC(=O)N(C)c1ccc(N)cc1 167038480 OCEUSFBTKKPYBP-BXUZGUMPSA-N 293.367 0.313 10 10 CCCE [N-]=[N+]=NCCCN[C@]1(C(N)=O)CCN2CCC[C@H]21 168166205 IFPYPBRDZJALGD-GXSJLCMTSA-N 252.322 0.369 10 10 CCCE CC(C)[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)C(N)=S 2132401362 TWTYOVNDWGNGBF-SECBINFHSA-N 284.337 0.844 10 10 CCCE CCN[C@H](c1ccccc1O)[C@H](O)c1ncn(C)n1 2134181330 MRZRADLOMZQCPK-NEPJUHHUSA-N 262.313 0.905 10 10 CCCE COc1ccc(CN2C[C@@H](O)C[C@@H]2C(=O)O)c(O)c1 2136093564 OPZYSTCBYJGZLO-GXSJLCMTSA-N 267.281 0.421 10 10 CCCE CON1CCN(c2ccc3c(c2)N(C)C(=O)[C@H]3N)CC1 1915791562 OJFCTHKVAZDFLL-ZDUSSCGKSA-N 276.340 0.346 10 10 CCCE NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(N)cc2)C1 21808773 YXLOJNDCBGCKOT-NSHDSACASA-N 297.380 0.296 10 10 CCCE CCc1c(C(=O)NCCc2ccc(N)cc2)nnn1C 1923640289 SADWEIONPGIXPI-UHFFFAOYSA-N 273.340 0.932 10 10 CCCE O=C(N[C@@H]1CN[C@H]2CCC[C@@H]21)c1ccc(O)c(O)c1 1925996324 LOQBDAKKQMSXOG-GARJFASQSA-N 262.309 0.968 10 10 CCCE COCc1c([C@H](O)Cc2ccc(N)cc2)nnn1C 1926403309 KZARLIBMZCNPMW-GFCCVEGCSA-N 262.313 0.820 10 10 CCCE O=C(NCCn1ccnc1)[C@@H]1CNc2ccccc2N1 229878753 JSCROKCROKFZRC-ZDUSSCGKSA-N 271.324 0.906 10 10 CCCE CC(=O)C(=O)[C@@H](O)c1cn(C)nc1Br 1929233503 IYNBUYRJIYAPDO-ZETCQYMHSA-N 261.075 0.374 10 10 CCCE C[C@H](N)c1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CF)cc1O 2140661671 IEDUKZOLBRAJNB-CETXONJKSA-N 270.304 0.292 10 10 CCCE CS(=O)(=O)NCCNCc1ccc(Cl)cc1O 1942497062 HDACGFHWQLXMQC-UHFFFAOYSA-N 278.761 0.684 10 10 CCCE CN(Cc1ccc(N)cc1)C(=O)c1cc(O)nc(O)n1 2148899881 ZSNWSPZEGTVJHK-UHFFFAOYSA-N 274.280 0.742 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N(C)[C@@H]3CCOC3)cc21 159746332 YXUCPJVWBCGVNY-MFKMUULPSA-N 261.325 0.888 10 10 CCCE Cc1nnn(C)c1[C@H](N)[C@@H](O)c1ccc(N(C)C)cc1 2151056423 RZIJBRXDHMUNJY-JSGCOSHPSA-N 275.356 0.923 10 10 CCCE COC(=O)[C@H](C)N(CC(N)=O)Cc1ccc(N)cc1 43629639 QUSJJTVEMLVAQW-VIFPVBQESA-N 265.313 0.118 10 10 CCCE Nc1cc2c(cc1N1C[C@@H](O)[C@H](F)C1)OCCO2 2031873508 VFIMHOPGLQTEAN-GMSGAONNSA-N 254.261 0.559 10 10 CCCE C[C@H]1CCNCCN1C(=O)c1ccc(O)c(O)c1 2035738287 TVWJKERAUDJUCV-VIFPVBQESA-N 250.298 0.922 10 10 CCCE C[C@@H](c1c(O)cccc1O)N1CCNC[C@H]1C(=O)O 300443781 ZJQJFPFZNCFQGQ-IUCAKERBSA-N 266.297 0.517 10 10 CCCE CO[C@@H](CN(CC(N)=O)Cc1ccc(N)cc1)C1CC1 400279156 IAINXDLJCPRCCU-AWEZNQCLSA-N 277.368 0.981 10 10 CCCE COC[C@@](O)(CO)CN[C@@H](C)c1cc(OC)ccc1O 2158617781 GOHMZOYXTZIQEF-HZMBPMFUSA-N 285.340 0.421 10 10 CCCE COC(=O)[C@@H](NCCN(C)C)c1c(O)cccc1OC 2160728410 LJARYAQOXXTMBI-ZDUSSCGKSA-N 282.340 0.766 10 10 CCCE CC[C@@H](N)c1ccc(N2CCC[C@](O)(C(N)=O)C2)cc1 312762406 KTUIEGJZDDRETL-UKRRQHHQSA-N 277.368 0.913 10 10 CCCE Cc1nsc(CN(CC(N)=O)Cc2ccc(N)cc2)n1 2158930715 SQKIPIFLROKADA-UHFFFAOYSA-N 291.380 0.916 10 10 CCCE C[C@@H](c1cc(F)ccc1O)N1CCNC[C@H]1C(=O)O 251790506 VSZSEHYVSCIUTQ-KWQFWETISA-N 268.288 0.951 10 10 CCCE CS(=O)(=O)N[C@@H]1CCN(Cc2cc(N)ccc2O)C1 702985725 UUIGJJFORKPKDT-LLVKDONJSA-N 285.369 0.098 10 10 CCCE CN1CCc2cc([C@H](O)[C@@]34CNC[C@H]3COC4)ccc21 2163077385 VCHHTIIRRRSTHR-CWRNSKLLSA-N 274.364 0.948 10 10 CCCE CNCCOCCN(C)C(=O)c1cccc(O)c1O 706688206 OMGHVEHRUSZMSX-UHFFFAOYSA-N 268.313 0.406 10 10 CCCE OCc1cc(F)c(N2C[C@H]3C[C@@H](O)[C@H](O)[C@H]2C3)c(F)c1 2173358585 WNGZHFKZFKSPQA-UBPLGANQSA-N 285.290 0.778 10 10 CCCE CNCc1ccc(N2C[C@H]3C[C@H](O)[C@H](O)[C@H]2C3)c(F)c1 2173319855 JZDFZBMLFNSARZ-QPKOPYBWSA-N 280.343 0.866 10 10 CCCE Cc1cc(N(C)C[C@H](O)CN(C)C)ccc1CO 708531108 OOJDYOOUCSFIGS-CQSZACIVSA-N 252.358 0.846 10 10 CCCE COC(=O)CN(C)CCC(=O)Nc1ccc(N)cc1 692343843 MDKUORNTRUPDRJ-UHFFFAOYSA-N 265.313 0.702 10 10 CCCE Oc1ccc(CNCCCn2cnnc2)c(O)c1O 382016771 MVLXCGDWOAMXKD-UHFFFAOYSA-N 264.285 0.575 10 10 CCCE Nc1ccc(CCC(=O)N(CCO)CCCO)cc1 385339967 GWKMDTOUTPWTET-UHFFFAOYSA-N 266.341 0.405 10 10 CCCE Nc1ccc(OCC(=O)N2CCSC[C@H]2CO)cc1 387592719 PAHSCDRZYYEZGS-LLVKDONJSA-N 282.365 0.584 10 10 CCCE C[C@@H](NC[C@H]1CNC(=O)C1)c1c(O)cccc1O 398334277 CDKUJBMDXDKLKM-BDAKNGLRSA-N 250.298 0.885 10 10 CCCE C[C@H]1OCC[C@@H]1C(=O)NCc1c(O)cc(O)cc1O 2064401499 KWFZYACAAFQWSI-APPZFPTMSA-N 267.281 0.845 10 10 CCCE C[C@](O)(CO)Cn1cc(COc2ccc(N)cc2)nn1 2179336240 LANVJCUMYOHMGI-CYBMUJFWSA-N 278.312 0.183 10 10 CCCE C[C@@H](CO)N1CCN(C(=O)Nc2ccc(N)cc2)CC1 2169366520 MZDSPAFBZWLGIJ-NSHDSACASA-N 278.356 0.799 10 10 CCCE Oc1ccc(CN2CCC(C3(O)CNC3)CC2)c(O)c1 2176939492 VJBFZQKWGUDVTD-UHFFFAOYSA-N 278.352 0.644 10 10 CCCE C[C@@H]1CN(c2cc3c(cc2F)[C@@H](O)C(=O)N3)CC[S@]1=O 2171960455 RCYYBNZCSSZQHI-VBNKADACSA-N 298.339 0.768 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3C[C@H]4OCC[C@@H]4C3)cc21 2172034397 GBPYCOJIBUXKKZ-OWYVNGRQSA-N 273.336 0.888 10 10 CCCE NCc1ccc(N2C[C@@H]3C[C@H](C2)[C@H](O)[C@@H]3O)c(F)c1F 2182549720 FSYSDIKDSRHGCX-LPQAMYBRSA-N 284.306 0.601 10 10 CCCE C[C@]1(O)CN(C(=O)c2cccc(O)c2O)CC[C@@]1(C)O 2194607474 NVOQAJBMUCFJTO-KGLIPLIRSA-N 281.308 0.446 10 10 CCCE NC[C@]1(F)C[C@@H](NC(=O)c2cccc(O)c2O)C1 2042823894 KEURTADACOHXGK-OGXFKERWSA-N 254.261 0.657 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3)cc1 2191632167 WBJWKAADMHDCIX-WDNDVIMCSA-N 295.408 0.971 10 10 CCCE NC[C@@H]1CN(C(=O)COc2ccc(N)cc2)CCCO1 2191730765 NZYCBEQVUVXVCJ-CYBMUJFWSA-N 279.340 0.224 10 10 CCCE Nc1ccc(OCCC(=O)N2C[C@@H]3CCN[C@H]3C2)cc1 2191896155 VPXKSDPZEXDBRM-FZMZJTMJSA-N 275.352 0.858 10 10 CCCE NCCN(C(=O)c1ccc(O)c(O)c1)C1CCOCC1 2186618755 NALJISXLVKUICE-UHFFFAOYSA-N 280.324 0.678 10 10 CCCE C[C@H](N[C@H]1CS(=O)(=O)C[C@H]1O)c1ccccc1O 2057722350 ZUHLCIHAMZVEEE-PTOFAABTSA-N 271.338 0.201 10 10 CCCE COCCNCc1ccc(N2C[C@@H](O)[C@H]2C)cc1 2062245314 OBMFSTBUGMJYPJ-BXUZGUMPSA-N 250.342 0.992 10 10 CCCE CN(c1ccc2c(c1)CCC[C@@H]2O)C(CO)CO 2065022410 NJEXMIQQHLERPH-AWEZNQCLSA-N 251.326 0.846 10 10 CCCE CO[C@H]1C[C@@H](O)CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2188867625 DLVFDPMDXCLNDH-BDAKNGLRSA-N 283.280 0.025 10 10 CCCE CN1C[C@H](O)[C@H](N2CCCc3cc(CN)ccc32)C1 2100719720 AIKPESSLYYFZCF-CABCVRRESA-N 261.369 0.573 10 10 CCCE Cc1ccc(CN2CC(O)(CC(=O)O)C2)c(O)c1 2084075957 VLEXDICRSNNDBV-UHFFFAOYSA-N 251.282 0.722 10 10 CCCE CCOC(=O)[C@](C)(CCS(C)(=O)=O)NCCN=[N+]=[N-] 2104525066 VTGVCZXOSJTXMF-JTQLQIEISA-N 292.361 0.643 10 10 CCCE CCN1CCc2cc([C@@H](O)Cn3cnnn3)ccc21 2106795625 IUIKIQLNUVFZRQ-ZDUSSCGKSA-N 259.313 0.789 10 10 CCCE CO[C@H]1C[C@H](O)CN(C(=O)c2cccc(O)c2O)C1 2109027230 HQKXIYJXHUUDDO-IUCAKERBSA-N 267.281 0.320 10 10 CCCE Nc1ccc(CC(=O)OC[C@@H]2CCS(=O)(=O)C2)cc1 2092347639 ZPBUETLYRMAVOZ-NSHDSACASA-N 283.349 0.789 10 10 CCCE O=[N+]([O-])c1ccc(N2C[C@H](O)C(F)(F)C2)cc1CO 2095739862 DSJDFLPGPLJIFO-JTQLQIEISA-N 274.223 0.903 10 10 CCCE OCC[C@]1(CO)CCN(c2ccc(CO)cc2F)C1 2097024984 PRQFSBCGAQQZNJ-CQSZACIVSA-N 269.316 0.889 10 10 CCCE Cc1ccc(O)c(CN2CC[C@H](O)[C@@H](O)[C@H]2C(=O)O)c1 2201091658 PLQFEJLTHCUYPV-RWMBFGLXSA-N 281.308 0.081 10 10 CCCE C[C@@]1(O)CN(c2cc3c(cc2N)OCCO3)CC[C@@H]1O 2201491536 CAVKZSGMIYZFNU-UONOGXRCSA-N 280.324 0.362 10 10 CCCE CC(=O)c1ccc(O)c(CN2C[C@H](O)[C@H](O)[C@@H]2CF)c1 2205617683 ISQAFEJVIOSXMD-FPMFFAJLSA-N 283.299 0.470 10 10 CCCE N[C@@H]1C[C@@H](F)CN(C(=O)c2ccc(O)c(O)c2)C1 2219147876 KALOMFGJFAVCHZ-RKDXNWHRSA-N 254.261 0.609 10 10 CCCE CN(c1ccc2c(c1)OCCO2)[C@H]1COC[C@H]1O 2219596736 FORZMSPSZAJEBF-WDEREUQCSA-N 251.282 0.654 10 10 CCCE COc1ccc(N2CC[C@H](O)[C@H](O)C2)c(CO)c1 2220433367 ZMNKGYNSQWJOND-QWHCGFSZSA-N 253.298 0.119 10 10 CCCE O[C@@H]1C[C@H]2CN(c3ccc4c(c3)OCCO4)CCN2C1 2235103330 IFRBZVRVVVUARJ-QWHCGFSZSA-N 276.336 0.713 10 10 CCCE N[C@@H]1C[C@H](F)CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2226293751 RFMMAGAUHXTQMT-JGVFFNPUSA-N 270.260 0.315 10 10 CCCE OC[C@@H]1CN(c2ccc3c(c2)OC(F)(F)O3)C[C@@H]1O 2226705986 KKKYLXLFGRLUFA-CBAPKCEASA-N 273.235 0.798 10 10 CCCE Cc1cc(N2C[C@H](O)C[C@@H](O)C2)ccc1[C@@H](C)O 2257480257 PKCLKMNDQXTUIF-RAIGVLPGSA-N 251.326 0.980 10 10 CCCE Nc1ccc(O)c(CN2C[C@@H]3CC[C@@H](CO)O[C@H]3C2)c1 2289173480 PNSVVVRYRHWYRH-XEGUGMAKSA-N 278.352 0.946 10 10 CCCE CN1CCN(C(=O)NCCCCN=[N+]=[N-])CC1=O 2320588186 PSTRGFHYZMCRPA-UHFFFAOYSA-N 254.294 0.561 10 10 CCCE O=C(CN1C[C@H]2C[C@H]2[C@@H]1CO)c1ccc(O)c(O)c1 2332560819 DXXFOTZVNFWVHV-MXWKQRLJSA-N 263.293 0.593 10 10 CCCE C[C@H](CN)S(=O)(=O)N1CCc2cc(O)c(O)cc2C1 2341200884 JVIXGFCYROMISP-MRVPVSSYSA-N 286.353 0.133 10 10 CCCE CN(CC(=O)O)Cc1ccc(N2CCN(C=O)CC2)cc1 108245364 OQPVCGMMIUZKJV-UHFFFAOYSA-N 291.351 0.481 10 10 CCCE CN[C@@H](CN1CCN(c2ccc(OC)cc2)CC1)C(=O)O 59531329 RTIXOQKGIABRMR-AWEZNQCLSA-N 293.367 0.490 10 10 CCCE O=C(N[C@H]1C[C@@H]2C[C@H]1C[C@H]2O)c1cc(O)c(O)c(O)c1 2356975374 SNMGDCIQLWVXPI-ZRUAGYDASA-N 279.292 0.693 10 10 CCCE Nc1ccc(OCC(=O)N[C@H]2C[C@@H]3C[C@H]2C[C@H]3N)cc1 2357175163 TYQURDGHYOTNPI-ZNIXKSQXSA-N 275.352 0.890 10 10 CCCE N[C@H]1CCc2cc(N3CC[C@@H]4C[C@H]3[C@H](O)[C@H]4O)ccc21 2357596106 BTKLXMNNEBZPCA-OLFNHAQQSA-N 274.364 0.953 10 10 CCCE Nc1ccc(NC(=O)NC[C@H]2COCCO2)cc1 38063170 MQVXUCZJXGLIJT-NSHDSACASA-N 251.286 0.806 10 10 CCCE O=S1(=O)CCC(NCc2ccc(O)c(O)c2)CC1 36331266 UYCBCBQGRBAACJ-UHFFFAOYSA-N 271.338 0.765 10 10 CCCE CN(C)C(C)(C)CNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 40807308 PDVJJFSTVWANSG-NSHDSACASA-N 295.383 0.424 10 10 CCCE CNCc1cc(F)c(N2CCN3C(=O)NC[C@@H]3C2)c(F)c1 91754457 WNALGAXXWVBPBA-SNVBAGLBSA-N 296.321 0.898 10 10 CCCE CNC(=O)CCN(C)CC(=O)c1ccc(O)c(O)c1 234348000 NESKOJHUHTUJJI-UHFFFAOYSA-N 266.297 0.348 10 10 CCCE C[C@H](N)[C@H]1CCN(C(=O)c2ccc(O)c(O)c2)C1 235503398 OLIKGLLZMABNAE-WPRPVWTQSA-N 250.298 0.907 10 10 CCCE CN(C)c1ccc([C@@H](Cc2nnn(C)n2)NN)cc1 234249389 ZIJOJAWIZKDCNT-LLVKDONJSA-N 261.333 0.023 10 10 CCCE CN1CCc2cc([C@H]3NC(=O)[C@H]4COCCN34)ccc21 93884161 WDPKEUPKJYYUME-KGLIPLIRSA-N 273.336 0.508 10 10 CCCE CC(=O)C(=O)COC(=O)CN(C)c1ccc(Cl)nn1 808503738 UKJNSOXSEVHJDY-UHFFFAOYSA-N 285.687 0.268 10 10 CCCE CCCCCS(=O)(=O)CC(=O)OCC(=O)C(C)=O 808513597 GSEGBPDMMXVXFJ-UHFFFAOYSA-N 278.326 0.293 10 10 CCCE C[C@H]1CN(C(=O)c2cc(O)nc(O)c2)C[C@H](C)C1N 721634288 UTWXRMYMAZJFIK-YUMQZZPRSA-N 265.313 0.548 10 10 CCCE CN1C[C@H](NC(=O)c2cc(O)cs2)CCC1=O 738548698 LRTUYKWUMOGXKB-SSDOTTSWSA-N 254.311 0.804 10 10 CCCE COC[C@@](C)(CCO)NC(=O)c1cc(O)cs1 831786094 UTXZBKJVFCUFOA-LLVKDONJSA-N 259.327 0.971 10 10 CCCE [N-]=[N+]=N[C@@H]1CO[C@H](OCc2ccccc2)[C@@H](N)[C@@H]1O 687768272 IHPXTIKWQXMPPH-KXNHARMFSA-N 264.285 0.927 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@H]2CCCNCC2)cc1 1876408910 KZFHCNFORDDWDH-ZDUSSCGKSA-N 283.397 0.830 10 10 CCCE CC[C@@H]1NCC[C@H]1NC(=O)COc1ccc(N)cc1 1876519635 PEMCIXVUKSNYLR-QWHCGFSZSA-N 263.341 0.904 10 10 CCCE CC(=O)C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)[C@H]2C[C@@H]21 1881983657 FXUYUHDKKNRANM-BHDSKKPTSA-N 283.324 0.905 10 10 CCCE COC(=O)[C@]1(O)CCN(Cc2cccc(OC)c2O)C1 895706147 DDTDMUVCBVOGJJ-AWEZNQCLSA-N 281.308 0.511 10 10 CCCE NC(=O)C1(N)CN(c2ccc(OCC(F)F)cc2)C1 1879902291 GAVRSWHVGZDTIN-UHFFFAOYSA-N 271.267 0.333 10 10 CCCE COC1CC(CO)(NC(=O)c2cccc(O)c2O)C1 1898089210 TYJOSPBSFYWZPG-UHFFFAOYSA-N 267.281 0.368 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CC(O)(C(F)F)C1 1963848109 UVIIHLPQGYGWBH-UHFFFAOYSA-N 273.235 0.479 10 10 CCCE COc1ccc(O)c(CN(CCO)CCC(=O)O)c1 1963438022 XNOAAUXQPRAYBC-UHFFFAOYSA-N 269.297 0.670 10 10 CCCE COc1ccc2c(c1O)[C@H](CNC(C)=O)NCC2 83708127 QATIMJJNAFZPAX-JTQLQIEISA-N 250.298 0.724 10 10 CCCE COCCNCc1ccc(N2CCC[C@H]2C(N)=O)cc1 62735007 PZRMUUXHVFLNJO-AWEZNQCLSA-N 277.368 0.877 10 10 CCCE C[C@@H](CO)CN(C)C(=O)COc1ccc(N)cc1 688962512 MBZIZCSQXZIRQL-SNVBAGLBSA-N 252.314 0.734 10 10 CCCE C[C@H](O)C1CN(c2ccc3c(c2)N(C)C(=O)[C@H]3O)C1 719866323 IEFAFWSNMRMHOH-SDBXPKJASA-N 262.309 0.513 10 10 CCCE CO[C@H]1CS(=O)(=O)C[C@@H]1OCc1ccc(N)cc1 696823873 YLIGKCLZGNAUJE-RYUDHWBXSA-N 271.338 0.597 10 10 CCCE CCNCc1ccc(N2CCN(C)C[C@H]2CO)cc1 699434765 NMXIBPJQKMHDHS-HNNXBMFYSA-N 263.385 0.909 10 10 CCCE COc1cc2c(cc1OC)N1CCS(=O)(=O)C[C@@H]1CN2 97829191 VYGJVSORSQSYCC-VIFPVBQESA-N 298.364 0.733 10 10 CCCE C[S@](=O)C1CN(c2cc3c(cc2Cl)[C@H](N)C(=O)N3)C1 2115314055 NBZBDFHCGDJKAS-WLRWDXFRSA-N 299.783 0.859 10 10 CCCE O=C(O)[C@@H]1CN(c2ccc3c(c2)OCO3)CCN1 214523761 BHGCKRBBGMICSA-VIFPVBQESA-N 250.254 0.278 10 10 CCCE C[C@@H](NC(=O)CCc1ccc(N)cc1)[C@H](O)C(=O)O 2120318684 BCQFOZWVZYBUTG-PELKAZGASA-N 266.297 0.152 10 10 CCCE O=C(NCc1cc(O)ccc1O)[C@H]1CCc2nncn2C1 1471661887 GJFSIGGUQAXPAF-VIFPVBQESA-N 288.307 0.568 10 10 CCCE Nc1ccc(CCN2C[C@@H]3[C@H](CO)CO[C@H]3C2)cc1 2121592870 NWODBFMALCJCQQ-YUELXQCFSA-N 262.353 0.750 10 10 CCCE CCO[C@@H]1CS(=O)(=O)C[C@@H]1N1CCC[C@@H]1CN=[N+]=[N-] 2123019069 JGQXWKVHKUFTOW-OUAUKWLOSA-N 288.373 0.963 10 10 CCCE CO[C@H](C(=O)NCc1c(O)cccc1O)c1cnn(C)c1 1647270259 PUECWSPOOWJIIU-ZDUSSCGKSA-N 291.307 0.835 10 10 CCCE CNc1cnc(C(=O)NCc2cc(O)ccc2O)cn1 1643881879 JBLUBHHWKWNYIS-UHFFFAOYSA-N 274.280 0.860 10 10 CCCE CN(C)C[C@]1(O)CCN(C(=O)Cc2ccc(O)c(O)c2)C1 1643211913 KLSLZODKZMMLKM-OAHLLOKOSA-N 294.351 0.165 10 10 CCCE CN1C(=O)CC[C@@H]1C(=O)NCc1c(O)cccc1O 1645363042 KJJFATPRUDTGAI-SECBINFHSA-N 264.281 0.335 10 10 CCCE [N-]=[N+]=NC1CN(C(=O)[C@H]2CCCN2c2ncccn2)C1 1912208547 UYULHZROCWEMIC-SNVBAGLBSA-N 273.300 0.967 10 10 CCCE CN(C)c1nc(CN2CCC(N=[N+]=[N-])CC2)nc(=N)[nH]1 1912208619 VCVCUJAIGFLBKB-UHFFFAOYSA-N 277.336 0.625 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCN([C@@H]2CS(=O)(=O)C[C@H]2O)C1 1912158870 AFHXALORNHARSW-IVZWLZJFSA-N 274.346 0.167 10 10 CCCE COc1ccc(N2CC[C@H](NCCO)C2)c(OC)c1 259489772 ZUFHCNXWPVXHKO-NSHDSACASA-N 266.341 0.864 10 10 CCCE CN1C[C@@H](N(C)C(=O)Cc2ccc(N)cc2)CC1=O 2131951990 HCOTURMPZLZLFL-LBPRGKRZSA-N 261.325 0.500 10 10 CCCE CC(C)NC(=O)[C@H](C)NC(=O)COc1ccc(N)cc1 228883824 IFRNBDKLRAQPTB-JTQLQIEISA-N 279.340 0.677 10 10 CCCE C[C@]1(O)CN(c2ccc3c(c2)CC[C@H]3N)CC[C@@H]1O 2136841386 KNFFZKCAZIQPIO-ILXRZTDVSA-N 262.353 0.955 10 10 CCCE COc1cc(N2CCC[C@H](C(N)=O)C2)ccc1CN 2139685288 POUKWPKSLJRLSP-NSHDSACASA-N 263.341 0.856 10 10 CCCE Cc1ccc(CN2C[C@H](CC(=O)O)[C@@H](O)C2)c(O)c1 2139773522 GLRYWNAWXLBCAK-AAEUAGOBSA-N 265.309 0.968 10 10 CCCE COCC1(C(=O)NCc2cccc(C)c2O)CNC1 2139742498 CTUBGXNBTXEOGM-UHFFFAOYSA-N 264.325 0.553 10 10 CCCE COCCS(=O)(=O)CCNCc1cccc(F)c1O 2139802056 XZLNFYGKYMWHDC-UHFFFAOYSA-N 291.344 0.682 10 10 CCCE COC[C@H](CNC(=O)CCOc1ccc(N)cc1)OC 234717620 YWAJVODNXPGIBS-ZDUSSCGKSA-N 282.340 0.815 10 10 CCCE CCNC(=O)[C@H]1COCCN1c1ccc(CN)c(F)c1 159307114 SQAIGWZZUIUZGN-CYBMUJFWSA-N 281.331 0.626 10 10 CCCE CN1CCN(c2cc3c(cc2N)NC(=O)CC3)CC1 35341113 IGBYFBRIAQJFFR-UHFFFAOYSA-N 260.341 0.905 10 10 CCCE O=C1Nc2cc(N3C[C@@H]4OCCO[C@H]4C3)ccc2[C@@H]1O 2149770529 JRLHPNRVNXSFRP-AVGNSLFASA-N 276.292 0.276 10 10 CCCE COC[C@H](O)CN(C)c1ccc2c(c1)NC(=O)[C@@H]2N 42509568 VRKUFCZZEAYOCP-BXKDBHETSA-N 265.313 0.082 10 10 CCCE Nc1ccc(CS(=O)(=O)NC[C@@H]2CCCC(=O)N2)cc1 2145554424 NIOSFXNKHDKFOC-LBPRGKRZSA-N 297.380 0.357 10 10 CCCE CN(C)[C@H]1CN(c2ccc(CO)cc2[N+](=O)[O-])C[C@@H]1O 2146159099 USAAIVQHHLSGEL-STQMWFEESA-N 281.312 0.198 10 10 CCCE CN1CCCc2cc(CN[C@H]3CC(=O)NC3=O)ccc21 2152399253 RYDHRIPIEILFKQ-LBPRGKRZSA-N 273.336 0.574 10 10 CCCE COC[C@@H](NCc1ccc(N(C)C)cc1)C(N)=O 2034940679 MXPJMRVXWXWHSP-GFCCVEGCSA-N 251.330 0.343 10 10 CCCE COc1cc(N)c(N(C[C@H](C)O)C[C@H](C)O)cc1OC 2159724599 IFLBLYFQWKHGQS-UWVGGRQHSA-N 284.356 0.854 10 10 CCCE CC[C@@H]1N[C@@H](c2ccc3c(c2)CCN3C)C(=O)NC1=O 313104772 NSWLJBGSXQPPOH-AAEUAGOBSA-N 273.336 0.745 10 10 CCCE CNC(=O)C(C)(C)NC(=O)[C@@H]1CNc2ccccc2N1 313220230 PTTDZXNQMABRFZ-NSHDSACASA-N 276.340 0.533 10 10 CCCE COCCNCc1ccc(N2C[C@@H](O)C[C@H](O)C2)cc1 2161355667 YAXMXXRRPWDJDC-GJZGRUSLSA-N 280.368 0.355 10 10 CCCE C[C@@H]1CN(c2cc3c(cc2N)OCC(=O)N3)C[C@@H]1CO 709324802 GUWBHPHSHCGJGJ-RKDXNWHRSA-N 277.324 0.664 10 10 CCCE O=c1nc(CCNCc2cc(F)ccc2O)[nH]o1 392276566 NRTWCPSKTHYYQD-UHFFFAOYSA-N 253.233 0.540 10 10 CCCE COC(=O)C1(O)CN(c2ccc(CO)c(C)c2)C1 714473930 WILRYMDYPPSTBC-UHFFFAOYSA-N 251.282 0.211 10 10 CCCE CN(C[C@@H]1CCNC1)C(=O)c1ccc(O)c(O)c1 382771970 DTEUJQPUMDOPSA-SECBINFHSA-N 250.298 0.779 10 10 CCCE Nc1ccc(CCCN2C[C@H]3C(=O)NC(=O)[C@@H]3C2)cc1 387468486 STGVENAILNHNQK-CHWSQXEVSA-N 273.336 0.406 10 10 CCCE CO[C@H]1CCCN(C(=O)c2cnn3c(O)cc(C)nc23)C1 2064303506 SRJYGPXXTGBDJE-JTQLQIEISA-N 290.323 0.994 10 10 CCCE Nc1cc2c(cc1N1C[C@H](F)[C@@H](CO)C1)NC(=O)CO2 2177142592 DZAJARPGJROVON-SFYZADRCSA-N 281.287 0.366 10 10 CCCE Nc1ccc(OC[C@H](O)CN2C[C@@H](F)[C@@H](CO)C2)cc1 2177138774 STAZURMZGNRAPC-MPKXVKKWSA-N 284.331 0.271 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3CCN(C)[C@@H]4C[C@@H]43)cc21 2168366868 ABZBGICUAQGMQE-HZSPNIEDSA-N 272.352 0.556 10 10 CCCE COC(=O)c1cccc(N)c1N[C@H]1[C@H]2CS(=O)(=O)C[C@H]21 2174644155 XTGPSMKKOAUCKF-DOFRTFSJSA-N 296.348 0.510 10 10 CCCE COCC[C@@H](N)C(=O)N[C@H](C)c1ccccc1O 1119299453 NWOLKJXFIKEXIE-MWLCHTKSSA-N 252.314 0.933 10 10 CCCE O=C(NCCc1ncccn1)c1cc(O)c(O)c(O)c1 2188932830 YZKNPJFFIUMSMM-UHFFFAOYSA-N 275.264 0.566 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC(O)(c2cccs2)C1 2193357504 FTAAIVWAHHSGNX-UHFFFAOYSA-N 292.316 0.898 10 10 CCCE C[C@H]1C[C@H](CNC(=O)c2cc(O)nc(O)c2)CN1 2042394340 RJQHBGXXPNMATF-YUMQZZPRSA-N 251.286 0.221 10 10 CCCE COc1ccc(CN[C@@H]2C[C@H](O)C[C@@H]2O)cc1C 2046490482 MIPZTFBHNMWAOV-XQQFMLRXSA-N 251.326 0.977 10 10 CCCE C[C@@H]1C[C@@H](C)[C@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)CN1 2049780551 KTIRMESVTMXAEW-LZQZFOIKSA-N 252.358 0.886 10 10 CCCE Nc1cc2c(cc1N1CCC[C@@](N)(CO)C1)OCCO2 2191563116 DUIMAOARDUJBOL-AWEZNQCLSA-N 279.340 0.330 10 10 CCCE Nc1ccc(OCCS(=O)(=O)N2CCC23CNC3)cc1 2191687856 QJYQUHGLNPLWMT-UHFFFAOYSA-N 297.380 0.025 10 10 CCCE NC[C@H]1CC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2068622002 TYKJASWJOLICDV-SVRRBLITSA-N 252.270 0.271 10 10 CCCE NC[C@@H]1CC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2068622003 TYKJASWJOLICDV-XPUUQOCRSA-N 252.270 0.271 10 10 CCCE CN(C)C1(C)CN(CC(=O)Nc2ccc(N)cc2)C1 2104374710 MPCZIHWOOUQISC-UHFFFAOYSA-N 262.357 0.843 10 10 CCCE Nc1ccc(CC(=O)N[C@@H](C(=O)O)C2COC2)cc1 2104891409 ZEYHEXDFNVZPPX-GFCCVEGCSA-N 264.281 0.027 10 10 CCCE CCN1CC[C@@H]([C@H](O)Cc2ccc(N)cc2)S1(=O)=O 2089515309 PZANJBCFAVKHMC-OLZOCXBDSA-N 284.381 0.596 10 10 CCCE N[C@@H]1CCC[C@@H](NC(=O)c2cc(O)nc(O)c2)CC1 2095747327 FRAHIYOBKKNDEW-NXEZZACHSA-N 265.313 0.883 10 10 CCCE CN1CCc2cc(CN3CCOC[C@@H](N)C3)ccc21 2095849787 DMLTWIPMWHUNNS-AWEZNQCLSA-N 261.369 0.838 10 10 CCCE NC[C@@H](C(=O)C(=O)C[C@H]1C[C@H](N)C1)c1ccccc1 2112571524 QPILYVYAMJYNQX-RAIGVLPGSA-N 260.337 0.995 10 10 CCCE COc1cc(N2CCO[C@H](CN(C)C)C2)ccc1CO 2204544594 DJTVNSDFVOYXMY-CQSZACIVSA-N 280.368 0.954 10 10 CCCE Cc1cc([C@H](C)N)ccc1N1CCOC[C@H]1C(N)=O 2232010580 BCACGJWPZXVOLO-GWCFXTLKSA-N 263.341 0.705 10 10 CCCE COC(=O)c1cccc(N)c1N[C@@H]1CCC[C@H](O)[C@@H]1O 2232501119 VRTDOJBEOXAYFP-NTZNESFSSA-N 280.324 0.742 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC[C@@H]3[C@H](O)C[C@H]3C2)cc1 2232878455 DATCBFNYLPULJW-FPMFFAJLSA-N 296.392 0.801 10 10 CCCE C[C@H](O)c1ccc(N2CC[C@](O)(CO)[C@@H](O)C2)c(F)c1 2234098194 RKDNXPDWZWULNE-HERUPUMHSA-N 285.315 0.173 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1C[C@@H](CO)C[C@@H](CO)C1 2236622765 DLNGVMBCKDSSBQ-AOOOYVTPSA-N 281.308 0.161 10 10 CCCE COc1ccc(N2CCC[C@H]2C(N)=O)c(C(=O)O)c1 2227678639 YFSBPZXKXMZRIP-NSHDSACASA-N 264.281 0.848 10 10 CCCE CSc1ncc(CNS(=O)(=O)[C@H](C)CN)s1 2243767490 JDXSMFYOVYNKSY-ZCFIWIBFSA-N 281.428 0.632 10 10 CCCE N=C(NO)c1cnc(Sc2nc(O)cc(O)n2)s1 2264162604 SFCSRFDABAAMLO-UHFFFAOYSA-N 285.310 0.800 10 10 CCCE OC[C@@H]1CC[C@H](CNCc2ccc(O)cc2O)OC1 2264700813 AHKGOODQJCAXDA-GXFFZTMASA-N 267.325 0.975 10 10 CCCE CC[C@@H](C)[C@H](Nc1c(N)cccc1C(N)=O)C(N)=O 2278845573 KDHZZBHZPBBKEN-XCBNKYQSSA-N 264.329 0.680 10 10 CCCE CSc1cc(N2CC(CO)(CO)C2)ccc1CN 2328548132 ZJZVNTJKUOKUSP-UHFFFAOYSA-N 268.382 0.658 10 10 CCCE O=C1NC[C@H](CN2CCc3cc(O)c(O)cc3C2)O1 2341215841 DOLGLOGQAUURIU-SNVBAGLBSA-N 264.281 0.564 10 10 CCCE NCc1ccc(N2CC[C@@H]3C[C@H]2[C@@H](O)[C@H]3O)c(F)c1F 2357593053 RCPYCYVUDNXULK-KUQGBDSZSA-N 284.306 0.744 10 10 CCCE CC(C)(CNC(=O)c1ccc(O)c(O)c1)C(N)=O 226955179 WAMHLGZSBBUQKU-UHFFFAOYSA-N 252.270 0.339 10 10 CCCE CSCC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 40225736 LFHPFEPWRFAXDF-QMMMGPOBSA-N 285.321 0.573 10 10 CCCE CCOC(=O)[C@@H]1CNCCN1[C@@H](C)c1ccc(O)cc1O 88658308 ZLTJIGABRMYAOE-GWCFXTLKSA-N 294.351 0.996 10 10 CCCE CCNC(=O)CN(CC)C[C@@H](O)COc1ccc(N)cc1 42367389 IUBVZJCYJCSQDG-CYBMUJFWSA-N 295.383 0.467 10 10 CCCE CCN(CCO)CCNC(=O)c1cccc(O)c1O 193166542 IMQFMIDSPWUSTR-UHFFFAOYSA-N 268.313 0.142 10 10 CCCE O=C(N[C@H]1C=C[C@@H](C(=O)O)C1)c1ccc(O)c(O)c1 236438268 HYBCIDNEMZJARQ-BDAKNGLRSA-N 263.249 0.857 10 10 CCCE Cn1nc(NC(=O)Cc2ccc(N)cc2)cc1C(=O)O 725231216 POHHPJXTFAWJAA-UHFFFAOYSA-N 274.280 0.882 10 10 CCCE O=C(C[C@@H]1NC(=O)NC1=O)NCc1cc(Cl)ccc1O 846478104 ZNKFRYQWXUIZMO-QMMMGPOBSA-N 297.698 0.260 10 10 CCCE Cc1ccc(O)c(CNC[C@]2(OCCO)CCOC2)c1 850358486 QLWMQHSVDTUTBF-OAHLLOKOSA-N 281.352 0.958 10 10 CCCE CCON(C)C(=O)CNC(=O)NCc1cc(C)ccc1O 858588710 NFLJCKXQDBVYHV-UHFFFAOYSA-N 295.339 0.910 10 10 CCCE C[C@@]1(CO)C[C@@H](O)CN1c1cc2c(cc1N)OCCO2 698158877 MSQRCEQCHGKPKZ-OTYXRUKQSA-N 280.324 0.362 10 10 CCCE COC[C@](C)(OC)C(=O)NCCc1ccc(N)cc1 1895215461 NIBIMAMZDRWZOA-AWEZNQCLSA-N 266.341 0.979 10 10 CCCE CNC[C@H]1CCCN1C(=O)COc1ccc(N)cc1 1876443922 NMIPZJAAENJJIO-GFCCVEGCSA-N 263.341 0.858 10 10 CCCE CC(=O)C(=O)COC(=O)c1ccc([C@@H]2CCC(=O)N2)cc1 884834894 GTXWLJVKEKDTQM-LBPRGKRZSA-N 289.287 0.953 10 10 CCCE CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CC[C@H](N=[N+]=[N-])C1 1885561693 VMBZQYXSRSHNEN-DTWKUNHWSA-N 299.331 0.783 10 10 CCCE CC(C)(C)OC(=O)N[C@@H](C(=O)NCCN=[N+]=[N-])C1COC1 1885562485 GVEDPJHNYUDZAS-SECBINFHSA-N 299.331 0.953 10 10 CCCE O=C(NC[C@@H](O)c1cnc[nH]1)c1cc(O)cs1 1303583964 NNCVUDRKIBWCJW-MRVPVSSYSA-N 253.283 0.640 10 10 CCCE Nc1ccc(CC(=O)N2CC[C@H](O)[C@@H](F)C2)cc1 1355570160 GAPCCWNQCITGPE-RYUDHWBXSA-N 252.289 0.743 10 10 CCCE C[C@@H](NC(=O)c1cc(O)nc(O)c1)[C@H](O)C(F)(F)F 1889473897 CVXOQQCAVDXMOG-VHWMUFPASA-N 280.202 0.534 10 10 CCCE C[C@]1(O)CCN(C(=O)Nc2ccc(N)cc2)C[C@H]1O 1893325816 QHXSKMFDKAPXJV-YPMHNXCESA-N 265.313 0.618 10 10 CCCE O=C(O)CN1CCN(Cc2c(O)cccc2F)CC1 1964722584 CDIBQFQROLTYQZ-UHFFFAOYSA-N 268.288 0.734 10 10 CCCE NC(=O)c1ccc(NCCc2ccc(N)cc2)nn1 95013034 ATVYVFROVNJFGM-UHFFFAOYSA-N 257.297 0.812 10 10 CCCE C[C@@]1(O)CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1261859433 VEYPNPTYTQATOZ-OAHLLOKOSA-N 290.319 0.218 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3CCC34COC4)cc21 2115155977 NFPSPQHBRRYDIV-GFCCVEGCSA-N 259.309 0.642 10 10 CCCE CO[C@H]1CN[C@@H](CNC(=O)c2cccc(O)c2O)C1 2115849942 CENRLLJAQOGJNV-RKDXNWHRSA-N 266.297 0.205 10 10 CCCE CNCc1ccc(N2CC[C@]3(CNC(=O)N3)C2)cc1 2121213318 ILTRMXSHHQKHEJ-AWEZNQCLSA-N 260.341 0.668 10 10 CCCE C[C@H]1CC[C@@H](C(=O)NCCc2ccc(O)c(O)c2)N1 2119508261 JFZQUCHNJFBOSN-ONGXEEELSA-N 264.325 0.897 10 10 CCCE CCOc1cccc([C@@H](C(=O)O)N(C)CC(=O)O)c1O 211613181 KPNJYIHAMZLGJY-NSHDSACASA-N 283.280 0.933 10 10 CCCE COc1ccc(O)c([C@@H](C)NCCC(=O)NC(N)=O)c1 1616779110 QPTMAGULEXNZTQ-MRVPVSSYSA-N 281.312 0.636 10 10 CCCE COc1ccc2c(c1)N(C)C(=O)[C@@H](CC(=O)O)N2C 215507738 QGUXRESZNQWKSM-LLVKDONJSA-N 264.281 0.951 10 10 CCCE O=C(NCc1ccc(O)c(O)c1)[C@H]1CCCn2ncnc21 1545639702 ZNXMBGRMGNXTST-JTQLQIEISA-N 288.307 0.883 10 10 CCCE O=C(NCCn1cncn1)c1c(F)ccc(O)c1O 1610374457 YWAQRMIACNPEKU-UHFFFAOYSA-N 266.232 0.258 10 10 CCCE CN(C)c1ccc(C=CC(=O)N2C[C@@H](O)[C@H](O)C2)cc1 1911926444 VEPRZCOEYYNUIA-ZIAGYGMSSA-N 276.336 0.330 10 10 CCCE Cc1ccc(NC(=O)C[C@H]2C(=O)NN(C)C2=O)cc1 169995965 FHTGFXVOYGUTQI-JTQLQIEISA-N 261.281 0.443 10 10 CCCE O=C(N[C@@H]1CC[C@@H]2C[C@]21CO)c1cc(O)nc(O)c1 2132105001 KGLYFTNYWRNNAE-KKFJDGPESA-N 264.281 0.384 10 10 CCCE CC(C)[C@H](N)CN(C)C(=O)c1cc(O)c(O)c(O)c1 2132405210 XQYKLRPJXIFOCA-SECBINFHSA-N 268.313 0.859 10 10 CCCE N[C@@H]1C[C@H]2C[C@H]1CN2C(=O)c1cc(O)c(O)c(O)c1 2132400335 LWZUYBLCGRJTKU-DJLDLDEBSA-N 264.281 0.365 10 10 CCCE O=C(O)[C@@H]1CC12CN(C(=O)Cc1ccc(O)c(O)c1)C2 1914750331 OBJAUCKHWBSNBU-VIFPVBQESA-N 277.276 0.573 10 10 CCCE Nc1ccc(CC(=O)N[C@@H](CCO)C(F)F)cc1 1918519796 DCXGMQGTTVSBMT-JTQLQIEISA-N 258.268 0.944 10 10 CCCE CCN[C@H]1C(=O)Nc2cc(N3CC[C@@H](O)C3)ccc21 227054678 DESNBACVDGGZMA-ZWNOBZJWSA-N 261.325 0.860 10 10 CCCE CCNCc1ccc(N2C[C@H](O)[C@@H](O)C2)cc1OC 2139689998 XJGHUPZKURCADE-STQMWFEESA-N 266.341 0.347 10 10 CCCE COCCS(=O)(=O)CCNCc1ccc(O)c(O)c1 2139801061 LQBRUCDWUYDEEL-UHFFFAOYSA-N 289.353 0.249 10 10 CCCE Nc1ccc(CS(=O)(=O)NCc2csc(=O)[nH]2)cc1 231693577 OMEBBXBARXAVJP-UHFFFAOYSA-N 299.377 0.638 10 10 CCCE Nc1ccc(OCC(=O)NCCc2ncno2)cc1 231768711 HMSLLLLYXXRONV-UHFFFAOYSA-N 262.269 0.390 10 10 CCCE O=C(O)[C@H]1CCN[C@@H](c2c(O)cc(O)cc2O)C1 1952455787 HRNLRDCTOHEPIN-POYBYMJQSA-N 253.254 0.929 10 10 CCCE Nc1ccc(CC(=O)N=[S@@]2(=O)CC[C@H](N)C2)cc1 1973212542 CQGHLWVTVDHYPM-BBATYDOGSA-N 267.354 0.537 10 10 CCCE Cc1ccc(CN2CC(O)(C(F)(F)C(=O)O)C2)c(O)c1 1974208769 ABFFVRDAPJNQMN-UHFFFAOYSA-N 287.262 0.967 10 10 CCCE CCO[C@@H](CN)CC(=O)NCCc1ccc(O)c(O)c1 2148002388 AUYKPJHFXQKNTR-LLVKDONJSA-N 282.340 0.510 10 10 CCCE COCCS(=O)(=O)CCC(=O)Nc1ccc(N)cc1 35322124 JWABBQIAHQKCMB-UHFFFAOYSA-N 286.353 0.659 10 10 CCCE CC[C@@]1(O)CCN(C[C@@H](O)COc2ccc(N)cc2)C1 2150755863 FJRCJBREVXCLHT-UKRRQHHQSA-N 280.368 0.855 10 10 CCCE COc1ncccc1Cn1ccc2c(c1=O)CNCC2 2150794645 ANYKQLAVLQXYCE-UHFFFAOYSA-N 271.320 0.946 10 10 CCCE NC(=S)C1CN(C(=O)c2cccc(O)c2O)C1 2000608193 SGWVABBYOHYEED-UHFFFAOYSA-N 252.295 0.456 10 10 CCCE Cc1cc(NS(=O)(=O)CC2CNC2)ccc1O 2018538211 MUXKPUNLFZLGPK-UHFFFAOYSA-N 256.327 0.662 10 10 CCCE COC[C@@H]1CNCCN1Cc1cc(F)ccc1O 2028147388 KCKBESJFKGAOAD-LBPRGKRZSA-N 254.305 0.952 10 10 CCCE NC(=O)[C@@H]1CC[C@H](NCc2ccc(O)cc2O)C1 2029524293 CHRVCDQFJCASAO-SCZZXKLOSA-N 250.298 0.841 10 10 CCCE N[C@H]1CC[S@@](=O)(=NC(=O)c2cccc(O)c2O)C1 2036856242 QMBQLARCIITFFH-VIIUKITBSA-N 270.310 0.437 10 10 CCCE CC[C@@H](NC(=O)COc1ccc(N)cc1)C(=O)OC 311548322 KHRQHDUHUJAMME-LLVKDONJSA-N 266.297 0.715 10 10 CCCE O=C(NC1(C(=O)O)CCNCC1)c1ccc(O)c(O)c1 710306726 GDDHKAXDIBWPIL-UHFFFAOYSA-N 280.280 0.034 10 10 CCCE 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CCOc1cccc(CNC[C@@H]2COC[C@@H]2O)c1O 2097833753 FYPJKPLQBMUYCH-NEPJUHHUSA-N 267.325 0.888 10 10 CCCE COC[C@@]1(C(=O)C(=O)C[C@H]2C[C@H](N)C2)CCCCN1 2112570047 SWHUVOWBMBQKDZ-JTNHKYCSSA-N 268.357 0.411 10 10 CCCE O=C(NC[C@@H]1C[C@H]2CC[C@H]1N2)c1cc(O)nc(O)c1 2117679041 ZZFLMJONNLIQIC-IVZWLZJFSA-N 263.297 0.363 10 10 CCCE CN(C(=O)COc1ccc(N)cc1)[C@H]1C[C@@H](O)C1 2217534627 YFRWSFJJJJYBCQ-PHIMTYICSA-N 250.298 0.629 10 10 CCCE CCS(=O)(=O)CNC(=O)N1CCC[C@H](N=[N+]=[N-])C1 2218510655 BLMNVKCXMYEIPS-QMMMGPOBSA-N 275.334 0.863 10 10 CCCE CN(c1ccc2c(c1)OCCO2)[C@H]1COC[C@@H]1O 2219596734 FORZMSPSZAJEBF-QWRGUYRKSA-N 251.282 0.654 10 10 CCCE CN1CC2(CCN2c2cc3c(cc2N)OCCO3)C1 2230342047 OPWUQYKKXWVBBX-UHFFFAOYSA-N 261.325 0.934 10 10 CCCE CNCc1ccc(N2C[C@H](O)[C@@H](O)[C@H]2COC)cc1C 2234076824 XIMLKGRJJPFTBC-ILXRZTDVSA-N 280.368 0.271 10 10 CCCE Nc1ccc(CC(=O)N2C[C@H]3COC[C@]3(CO)C2)cc1 2234548522 OVEDPKTZDXWZFE-SWLSCSKDSA-N 276.336 0.279 10 10 CCCE [N-]=[N+]=N[C@@H]1CCC[C@@H]1NC(=O)c1cnc(O)nc1O 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O=C(c1cc(O)nc(O)c1)N1C[C@@]2(CO)CC[C@H]1C2 2336477105 ZATIUDGMIMVLEJ-TVQRCGJNSA-N 264.281 0.480 10 10 CCCE [N-]=[N+]=NCC1(CNC(=O)[C@@H]2COC[C@H]2C(=O)O)CC1 2338346998 CAOSEKKIBDNLNP-HTQZYQBOSA-N 268.273 0.540 10 10 CCCE Nc1ccc(CCN2C(=O)[C@@H]3COC[C@@H]3C2=O)cc1 2338352512 AHHXIZVAFXMSFR-TXEJJXNPSA-N 260.293 0.443 10 10 CCCE COC(=O)NC1CN(c2ccc(CN)c(F)c2F)C1 2351821859 QLBWASYPEGPXFO-UHFFFAOYSA-N 271.267 0.968 10 10 CCCE COC(=O)c1cccc(N)c1N[C@H]1CCC(=O)NC1 130369902 DAFGXXDOABKPTB-QMMMGPOBSA-N 263.297 0.746 10 10 CCCE CCCCN(CC(N)=O)c1cc2c(cc1N)OCC(=O)N2 42691352 NDWJNYMNQAXWFP-UHFFFAOYSA-N 292.339 0.692 10 10 CCCE CC[C@@](C)(O)CNC(=O)COc1ccc(N)cc1 87009054 AHYMBZORTJGPRX-CYBMUJFWSA-N 252.314 0.925 10 10 CCCE CCNCc1ccc(N2CC(=O)NC(=O)[C@H]2C)cc1 97295921 DKJQAZXKKUFNTN-SNVBAGLBSA-N 261.325 0.647 10 10 CCCE Cc1nccnc1[C@@](C)(NCCN=[N+]=[N-])C(=O)O 235823147 XNXLZBCLBVCHJY-SNVBAGLBSA-N 250.262 0.985 10 10 CCCE CC(=O)C(=O)COC(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1 808508455 BOIRPOLYYAMZCB-NSHDSACASA-N 297.351 0.972 10 10 CCCE CCCC(=O)N1CCC[C@H]1C(=O)OCC(=O)C(C)=O 808510848 LEUBXONKWCXQKV-JTQLQIEISA-N 269.297 0.479 10 10 CCCE CC(=O)C(=O)COC(=O)COCc1cccnc1 808551171 QWWIIFIADSIIGC-UHFFFAOYSA-N 251.238 0.300 10 10 CCCE Nc1ccc(CCC(=O)NCC[C@@H]2COC[C@@H]2O)cc1 2167628095 YBIOLMLRGSQSDC-OCCSQVGLSA-N 278.352 0.715 10 10 CCCE O=C(COCC(F)F)NCc1ccc(O)cc1O 910942510 DGHFKERQDLCLGH-UHFFFAOYSA-N 261.224 0.996 10 10 CCCE CNC[C@@](C)(O)CN1CCN(c2ccc(OC)cc2)CC1 846221150 HKXBTGTXPNXKBZ-MRXNPFEDSA-N 293.411 0.788 10 10 CCCE COc1cccc(CN[C@H]2C[C@H](C(N)=O)C2)c1O 858249177 LNJOFRXMCVZHCO-MGCOHNPYSA-N 250.298 0.754 10 10 CCCE CS(=O)(=O)C[C@H](O)CNCc1c(O)cccc1Cl 922820862 GSWKRJIRYVMMKT-MRVPVSSYSA-N 293.772 0.541 10 10 CCCE COc1ccc(N2CC[C@@H](NC(=O)[C@@H](C)N)C2)cc1 851640147 RHODNJLUFIXFIL-GHMZBOCLSA-N 263.341 0.737 10 10 CCCE C[C@H](NC[C@@H](O)CO)c1ccc(N2CCOCC2)cc1 930210123 KJKHYXIQVLAJTG-SWLSCSKDSA-N 280.368 0.527 10 10 CCCE CN(C(=O)c1cc(O)cs1)[C@H]1C[C@@H](C(N)=O)C1 863357315 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COc1ccc(O)c(CNCCc2nnnn2C)c1 776257564 YIWAICPGCKLTKE-UHFFFAOYSA-N 263.301 0.257 10 10 CCCE Nc1ccc(CS(=O)(=O)NCC2(CCO)CC2)cc1 97817258 IOPWCINVZJGVOS-UHFFFAOYSA-N 284.381 0.851 10 10 CCCE C[C@H]1CNC[C@H](O)CN1c1ccc2c(c1)OCO2 214572710 HWDOBBNTIXJJAN-ONGXEEELSA-N 250.298 0.574 10 10 CCCE NCC[C@H]1C(=O)NCCN1c1ccc2c(c1)OCO2 216975202 GFZOIZBAHFCSDD-JTQLQIEISA-N 263.297 0.069 10 10 CCCE Nc1ccc(CCOc2ccc3nnnn3n2)cc1 2119779662 AZDYPZFZMCIOSH-UHFFFAOYSA-N 256.269 0.723 10 10 CCCE COc1ccc(O)c(CN[C@H](C)c2nc(=O)o[nH]2)c1 2121354992 YGJBZRGLAXUBSG-SSDOTTSWSA-N 265.269 0.928 10 10 CCCE Nc1ccc(CC(=O)N2CCC[C@H]2[C@@H](O)CO)cc1 2123226232 ATEMLNWPINZZEU-STQMWFEESA-N 264.325 0.156 10 10 CCCE C[C@H](CS(C)(=O)=O)C(=O)NCc1cc(O)ccc1O 1558175281 KOEDGWDTVYRKIL-MRVPVSSYSA-N 287.337 0.395 10 10 CCCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCC(N)=O 1556158059 QPCYTNQVHLCJOS-QMMMGPOBSA-N 266.297 0.411 10 10 CCCE O=C(NCc1ccc(O)cc1O)c1csnn1 1570462577 ZROMWVONKYSWOP-UHFFFAOYSA-N 251.267 0.879 10 10 CCCE [N-]=[N+]=NC1CN(C(=O)[C@H]2CC(=O)N(CC3CC3)C2)C1 1912195330 FIWYBUHTCVOUNB-VIFPVBQESA-N 263.301 0.766 10 10 CCCE [N-]=[N+]=NC1CN(C(=O)c2cnc3ccccn3c2=O)C1 1912185856 WSBRHWNNLFRWHI-UHFFFAOYSA-N 270.252 0.829 10 10 CCCE COCCNS(=O)(=O)N1CCC(CN=[N+]=[N-])CC1 1912178148 LZLWPCYMSFCWJL-UHFFFAOYSA-N 277.350 0.490 10 10 CCCE COC(=O)[C@@]1(NCCN=[N+]=[N-])C[C@@H]2OCCC[C@@H]21 1912211165 SVGDXOSTOWSVHX-ATZCPNFKSA-N 254.290 0.997 10 10 CCCE C[C@@]1(C(=O)O)COC[C@@H]1NC(=O)CCc1ccc(N)cc1 158172477 OZYBJQULIXXKAT-SWLSCSKDSA-N 292.335 0.807 10 10 CCCE CCN[C@@H]1CCc2cc(N3C[C@H](O)[C@H](O)C3)ccc21 2128300275 YDRVAEHXQPBSHX-KFWWJZLASA-N 262.353 0.825 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1C[C@H]2C[C@@H](O)C[C@H]2C1 2128648631 QNQOPUSQPKWGOY-JGPRNRPPSA-N 263.293 0.941 10 10 CCCE C[C@H]1CO[C@@H](CO)CN1Cc1cc(N)ccc1O 167855608 LFSVOFPTDKOPOU-JOYOIKCWSA-N 252.314 0.556 10 10 CCCE CN(C[C@@H](N)CC(=O)O)c1ccc2c(c1)OCCO2 259018817 YGAZVIKBXAJOGR-VIFPVBQESA-N 266.297 0.696 10 10 CCCE CN(C)C1CC(NC(=O)c2cc(O)c(O)c(O)c2)C1 2132350949 RUPYFUZRQMKJOA-UHFFFAOYSA-N 266.297 0.626 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@H]2CC[C@H]1CN2 2132418410 JTFPIYTZAQCHNF-BDAKNGLRSA-N 264.281 0.380 10 10 CCCE NCC[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)C1CC1 2132419986 YIFWLXIIJPCPEX-SECBINFHSA-N 266.297 0.661 10 10 CCCE CN(c1cc2c(cc1F)[C@@H](O)C(=O)N2)C(C)(C)C(N)=O 1915545782 WRDCZHDKAWQMTO-SNVBAGLBSA-N 281.287 0.511 10 10 CCCE CNCc1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CF)c(Cl)c1 2140666228 VJJVVUTTZHNHJI-AVGNSLFASA-N 288.750 0.939 10 10 CCCE O[C@H]1CCc2cc(N3C[C@@H](O)[C@@H](O)[C@@H]3CF)ccc21 2140655323 RVNZFTIZHUOUGJ-FQUUOJAGSA-N 267.300 0.546 10 10 CCCE C[C@@H]1C[C@@H]2CNC[C@H]2N1C(=O)c1cc(O)nc(O)c1 252419819 WZDDZCPHPSUXSY-SZEHBUNVSA-N 263.297 0.315 10 10 CCCE COc1cc(N(C)[C@@H]2CCS(=O)(=O)C2)ccc1CN 2139696868 NIGKLJAANSRKTP-GFCCVEGCSA-N 284.381 0.777 10 10 CCCE CNC(=O)CCN(C)CC(=O)Nc1ccc(N)cc1 234346998 JQDDDVNQCXDJFX-UHFFFAOYSA-N 264.329 0.275 10 10 CCCE C[C@H](NCc1ccccc1O)C1CS(=O)(=O)C1 1942249100 SJJWIOIQTCQSOW-VIFPVBQESA-N 255.339 0.915 10 10 CCCE O=S1(=O)CC[C@H]1CNCc1cccc(O)c1O 1945530670 JGBMEOMKCRKAFO-VIFPVBQESA-N 257.311 0.375 10 10 CCCE CN1C(=O)[C@H](O)c2ccc(N3C[C@H]4C(CO)[C@@H]4C3)cc21 2146875424 UCJQFXOSNYRTAC-JTNHKYCSSA-N 274.320 0.371 10 10 CCCE CN(C(=O)[C@H]1[C@@H]2CS(=O)(=O)C[C@@H]21)c1ccc(N)cc1 1971392288 XVVWBDRBLVVTCG-GDNZZTSVSA-N 280.349 0.522 10 10 CCCE C[C@@H]1C[C@@H](CNC(=O)Cc2ccc(O)c(O)c2)CN1 1972180977 BYQVVGLYXKVKIW-MWLCHTKSSA-N 264.325 0.755 10 10 CCCE CCN[C@@H]1COCCN(C(=O)c2cccc(O)c2O)C1 2152197327 SEWUICDMLKUCMT-JTQLQIEISA-N 280.324 0.548 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN1C[C@@H]1CCS(=O)(=O)N1 2009445314 NDULXWSPVRIGIW-DTWKUNHWSA-N 259.335 0.453 10 10 CCCE C[C@H](c1ccccc1O)N(C)CCNS(C)(=O)=O 2026864074 NBTZXRNVSQZHIL-SNVBAGLBSA-N 272.370 0.934 10 10 CCCE NS(=O)(=O)CCN[C@H]1CCc2cccc(O)c21 310167815 OMBFRXQDJGLQAU-VIFPVBQESA-N 256.327 0.258 10 10 CCCE O=C(N[C@H](CC(F)F)C(=O)O)c1ccc(O)c(O)c1 312032213 YCSLVMSIVPLNJK-ZCFIWIBFSA-N 275.207 0.936 10 10 CCCE CN(Cc1nncn1C)C(=O)COc1ccc(N)cc1 312322669 SBQBGEHEDSSRFM-UHFFFAOYSA-N 275.312 0.435 10 10 CCCE COc1cccc(O)c1[C@H](NC[C@@H]1CCCO1)C(N)=O 2160727428 ABUUNVDPGGFGFO-ZANVPECISA-N 280.324 0.696 10 10 CCCE COC1(C(N)=O)CN(c2ccc(C=CC(=O)O)cc2)C1 2161208335 XKXHJQLWMNBSBE-UHFFFAOYSA-N 276.292 0.475 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@H]3COC[C@H]3C2)cc1 718196128 WLMMDVOLZOJGOM-TXEJJXNPSA-N 282.365 0.677 10 10 CCCE C[C@H]1NC(=O)CC[C@@H]1NCc1ccc(O)cc1O 392903304 PTNSNYHNZDDBJJ-KCJUWKMLSA-N 250.298 0.855 10 10 CCCE C[C@@H](N[C@H]1CN(C)NC1=O)c1ccc(O)cc1O 393903630 IOPBMCGHQDHTGB-XCBNKYQSSA-N 251.286 0.094 10 10 CCCE NCCN1CCC[C@@H](NC(=O)c2ccc(O)c(O)c2)C1 394948839 GNZZXVQDKSQGIO-LLVKDONJSA-N 279.340 0.251 10 10 CCCE CNC(=O)NCCNCc1ccc(OC)cc1O 397400047 HLKPGOSKRDXPJI-UHFFFAOYSA-N 253.302 0.419 10 10 CCCE C[C@H](CNCc1cccc(Cl)c1O)S(N)(=O)=O 398227474 GGMPZHGRZOTTOA-SSDOTTSWSA-N 278.761 0.812 10 10 CCCE Cc1cc(O)n2ncc(C(=O)NC(C)(C)CCO)c2n1 2064730376 YXXVAZNVMBATOC-UHFFFAOYSA-N 278.312 0.634 10 10 CCCE COc1cc(N)c(N2C[C@@H]3OC(=O)N[C@@H]3C2)cc1OC 2176921186 PRGYVZYETCGQHG-PELKAZGASA-N 279.296 0.583 10 10 CCCE CC[C@H](N[C@@H]1C[C@H](CO)[C@@H](O)[C@@H]1O)c1ccccc1O 2177944505 MNAQEIPBIPOFFP-FJZRYDKGSA-N 281.352 0.536 10 10 CCCE NC[C@H]1C[C@H]1CNS(=O)(=O)CCOc1ccc(N)cc1 2191635404 QNUIAHNZTBZWDH-MNOVXSKESA-N 299.396 0.162 10 10 CCCE Nc1ccc(OCCS(=O)(=O)NC[C@H]2CCNC2)cc1 2191644373 KFDPGFIIWAOHSI-NSHDSACASA-N 299.396 0.177 10 10 CCCE CNC[C@H](C)NC(=O)c1ccn(-c2ccc(N)cc2)n1 2191749729 NAFXYQLOGKUQJB-JTQLQIEISA-N 273.340 0.792 10 10 CCCE Nc1ccc(OCCS(=O)(=O)N2C[C@@H]3C[C@H]3C2=O)cc1 2191768675 NDSIQGQOTDWCTR-JOYOIKCWSA-N 296.348 0.456 10 10 CCCE CN(C(=O)C1=C[C@H](O)[C@@H](N)C1)c1ccc(C(=O)O)cc1 2188023178 UAVFAJCGOOGQKP-RYUDHWBXSA-N 276.292 0.366 10 10 CCCE COc1ccc(N2C[C@@H](O)[C@@H](O)C2(C)C)c([N+](=O)[O-])c1 2181216460 UUVNOMGVZNUABU-VXGBXAGGSA-N 282.296 0.924 10 10 CCCE C[C@@H]1CN(C(=O)c2cccc(O)c2O)C2(CC2)C(=O)N1 2188562670 DYSPJXAWSIYWFP-MRVPVSSYSA-N 276.292 0.591 10 10 CCCE CN(Cc1ccccc1O)C(=O)N[C@@](C)(CO)C(=O)O 2192602751 BCGOYUOPYJZGJO-ZDUSSCGKSA-N 282.296 0.369 10 10 CCCE CN(C)[C@@]1(C)CCN(C(=O)c2cc(O)c(O)c(O)c2)C1 2188926654 AJTMFHAQYWCBRC-AWEZNQCLSA-N 280.324 0.970 10 10 CCCE NCc1ccc(N2CCOC[C@H](CO)C2)c(F)c1F 2098222105 YOHPONRIIFZDND-VIFPVBQESA-N 272.295 0.869 10 10 CCCE C[C@H](N)c1ccc(N2C[C@@H](O)C[C@@H](O)C2)cc1O 2043128848 IFRIELBZTNNOSE-INTQDDNPSA-N 252.314 0.344 10 10 CCCE C[C@@H]1C[C@@H]1N(CCO)C(=O)c1cccc(O)c1O 2048244165 MARZGDUMNIFEBO-SCZZXKLOSA-N 251.282 0.941 10 10 CCCE COc1cc(N)c(N2CC(F)(CO)C2)cc1OC 2052731223 YUVQCXBEXKPFBA-UHFFFAOYSA-N 256.277 0.807 10 10 CCCE COC[C@H]1C[C@H]1CN(CC(N)=O)Cc1ccc(N)cc1 2190117714 RZQPNEYJFXIHSU-QWHCGFSZSA-N 277.368 0.839 10 10 CCCE CN1CCc2cc([C@H](O)[C@](C)(N)C(=O)O)ccc21 2058158403 JWBHMIAINYIJCV-AAEUAGOBSA-N 250.298 0.514 10 10 CCCE CN(c1ccc2c(c1)CCC[C@@H]2N)C(CO)CO 2065025564 RJTMCUMICIYVPV-AWEZNQCLSA-N 250.342 0.812 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CC(CCO)C1 2068577917 PVWBAXCXTRBVIS-UHFFFAOYSA-N 253.254 0.258 10 10 CCCE CCOC(=O)[C@H](O)CN(C)Cc1ccccc1O 2072450375 KCJAMKDPEFXKPF-GFCCVEGCSA-N 253.298 0.748 10 10 CCCE CC1(C)[C@H](O)C[C@]1(CO)NCc1ccc(N)cc1 2073611404 RZCJBGOJFHIYGB-TZMCWYRMSA-N 250.342 0.880 10 10 CCCE Nc1ccc(O)c(CN2CC[C@H]3C(=O)NC[C@@H]3C2)c1 2100940798 MSTJFTMNCSFASH-ZYHUDNBSSA-N 261.325 0.542 10 10 CCCE CC[C@H](O)CN(C)C[C@@H](O)COc1ccc(N)cc1 2106619261 AYKQXGFVNUIMDZ-QWHCGFSZSA-N 268.357 0.711 10 10 CCCE CO[C@@H](C)[C@@H](NC(=O)c1ccc(O)c(O)c1)C(=O)O 2087687112 VEWRNJMFJPRHAP-QUBYGPBYSA-N 269.253 0.316 10 10 CCCE CC[C@H]1NCC[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 2087727136 OHESKPZVGNDLIQ-MNOVXSKESA-N 264.325 0.897 10 10 CCCE O=C(CN1C[C@H]2C(CO)[C@@H]2C1)c1ccc(O)c(O)c1 2090737130 PBPJSOYIPFJQCK-NXEZZACHSA-N 263.293 0.451 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NC[C@@]12CNC[C@@H]1C2 2092520865 HDXSFDJCRVRREN-IINYFYTJSA-N 262.309 0.366 10 10 CCCE CN1CC2(C1)CN(c1ccc3c(c1)NC(=O)[C@H]3N)C2 2095937592 ANOBJZARHMOYFM-LBPRGKRZSA-N 258.325 0.390 10 10 CCCE N[C@@H]1C[C@@H]2C[C@@H](NC(=O)c3cc(O)c(O)c(O)c3)C[C@H]12 2202032363 QCASLVLSZUSVNX-QRYDPKPESA-N 278.308 0.659 10 10 CCCE Cc1ccc(CN2CCS(=O)(=O)[C@H](C(=O)O)C2)c(O)c1 2204628841 BJHLXPCRAVCUJQ-LBPRGKRZSA-N 299.348 0.384 10 10 CCCE CCNCc1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2COC)cc1 2234071592 WCDSAJSLLNZOQE-KKUMJFAQSA-N 280.368 0.353 10 10 CCCE CN(CCCN=[N+]=[N-])C(=O)[C@H]1CC[C@H](C(=O)O)N1C 2225796147 USHCPMORIQKRSV-RKDXNWHRSA-N 269.305 0.693 10 10 CCCE CCNCc1cc(OC)ccc1N1CCC1(CO)CO 2235972184 KMJBUQBFAITFPU-UHFFFAOYSA-N 280.368 0.738 10 10 CCCE COc1ccc(N2C[C@@H]3C[C@H](C2)[C@@H](O)[C@@H]3O)c(CO)c1 2236003816 UTQLFMYWYFHGLC-ANGCBRKESA-N 279.336 0.365 10 10 CCCE COc1ccc(N2CC[C@@H](C)[C@H]2C(N)=O)c(CN)c1 2227677095 GAYYHCGBNPECMK-RNCFNFMXSA-N 263.341 0.854 10 10 CCCE Cc1cc([C@@H](C)O)ccc1N1CCN(CC(N)=O)CC1 2240837997 XHAOQNFQORNHEL-GFCCVEGCSA-N 277.368 0.656 10 10 CCCE COC(=O)N[C@@H](C)CNCc1ccc(O)c(O)c1O 2274582079 HWUGQTHIJYKSOV-ZETCQYMHSA-N 270.285 0.638 10 10 CCCE 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CCS(=O)(=O)N(C)NCc1c(O)cccc1F 2301513375 ASCZYAZDTVQBQR-UHFFFAOYSA-N 262.306 0.817 10 10 CCCE COC(=O)[C@H](NCCN=[N+]=[N-])[C@H]1[C@@H]2CCOC[C@@H]21 2310330672 CBJPZOVKQBTEEN-XFWSIPNHSA-N 254.290 0.710 10 10 CCCE CCN(CCN=[N+]=[N-])C(=O)[C@@H]1COC[C@H]1C(=O)O 2316418585 MRMWYLSOMZGHLG-HTQZYQBOSA-N 256.262 0.492 10 10 CCCE Cc1sc(NN(C)S(C)(=O)=O)nc1CCC(=O)O 2317495041 IOSSOENMTOWMAD-UHFFFAOYSA-N 293.370 0.687 10 10 CCCE O=c1c2c(ccn1C[C@H]1C[C@@H]3C[C@@H]3CO1)CCNC2 2333766383 HTZDTYPSGZRTSU-YNEHKIRRSA-N 260.337 0.919 10 10 CCCE CN(CC(=O)N(C)c1ccc(N)cc1)C[C@H]1CCO1 2341145273 KGASCBPRQGDONJ-CYBMUJFWSA-N 263.341 0.952 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3[C@H]4CC[C@@H]3C[C@@H]4CO)ccc21 2354259605 BODSFQGQQPFPFQ-ZHMYYEFOSA-N 273.336 0.988 10 10 CCCE C[C@@H](N)c1ccc(N2C[C@H](O)[C@@H](O)C2)c(Cl)c1 235223714 DBZDPDXLQVJCMG-MKCWBWRRSA-N 256.733 0.902 10 10 CCCE NC(=O)NC1CN(c2cc3c(cc2Cl)[C@@H](O)C(=O)N3)C1 2163220336 SWCMTFQKDXWZPY-SNVBAGLBSA-N 296.714 0.182 10 10 CCCE C[S@@](=O)CC1CN(c2cc3c(cc2N)NC(=O)CC3)C1 2166652103 NILZLGAPFTXMSA-HXUWFJFHSA-N 293.392 0.968 10 10 CCCE CS(=O)(=O)C1(CNC(=O)c2ccc(O)c(O)c2)CCC1 2166694451 NODMFQZSPXULLX-UHFFFAOYSA-N 299.348 0.795 10 10 CCCE Nc1ccc(CC(=O)N2CC[C@H]3[C@@H](C2)[C@@H]3C(=O)O)cc1 721234787 LSSXWBGPSHZFQK-OUCADQQQSA-N 274.320 0.990 10 10 CCCE CO[C@H]1CNC[C@@H]1S(=O)(=O)Nc1ccc(O)c(C)c1 722231783 DCGUXUMUIFOMSV-RYUDHWBXSA-N 286.353 0.429 10 10 CCCE C[C@H](NC(=O)CCNC(=O)CO)c1ccc(N(C)C)cc1 907494291 YGQTZIOPYYOGEV-NSHDSACASA-N 293.367 0.428 10 10 CCCE CN(C)C[C@]1(O)CCCN(C(=O)c2cc(O)cs2)C1 834565610 VORMGYDSPUTHJV-CYBMUJFWSA-N 284.381 0.982 10 10 CCCE C[C@@H](NC(=O)[C@H]1CN(C)C(=O)N1)c1ccc(N(C)C)cc1 832436228 JMMOIQUFGGJBST-ZWNOBZJWSA-N 290.367 0.953 10 10 CCCE C[C@@H]1CC[C@H](NC(=O)c2cccc(O)c2O)CS1(=O)=O 855704578 WYXPSQVMRFCHJB-BDAKNGLRSA-N 299.348 0.793 10 10 CCCE C[C@@](O)(CNC(=O)c1cccc(O)c1O)C(F)F 698602360 SBMUWSNLWRQDMW-LLVKDONJSA-N 261.224 0.844 10 10 CCCE NC[C@]1(O)CCCN(C(=O)Nc2ccc(N)cc2)C1 1876150371 SMRRTWQSSGKCBE-CYBMUJFWSA-N 264.329 0.586 10 10 CCCE C[C@@H]1NCCC[C@H]1NS(=O)(=O)Cc1ccc(N)cc1 1876416779 BEZVQGAPKHODEG-GXFFZTMASA-N 283.397 0.829 10 10 CCCE C[C@H](c1ccccc1O)N(C)C[C@@]1(O)CNC[C@@H]1O 1877524749 SZBXOJQOLNWCPO-SWHYSGLUSA-N 266.341 0.080 10 10 CCCE NC[C@@H]1CCC[C@H](C(=O)NCc2ccccc2O)O1 1879400350 LRPTYMZEPFRVKG-WCQYABFASA-N 264.325 0.905 10 10 CCCE O=C(NCc1cccc(O)c1O)C1=CCS(=O)(=O)C1 1303195632 YFFQTYRQUBPZIX-UHFFFAOYSA-N 283.305 0.069 10 10 CCCE CS(=O)(=O)CCNC(=O)Nc1ccc(N)cc1 37751054 STAWKCLIVYIKJD-UHFFFAOYSA-N 257.315 0.435 10 10 CCCE Cc1ccc(O)c(CNC(=O)[C@H](N)CC(=O)O)c1 83391459 KGFNGHJPLMEION-SECBINFHSA-N 252.270 0.119 10 10 CCCE O=S1(=O)C[C@H]2CN(Cc3ccccc3O)C[C@H]21 2299797043 UTSNYLAHQKASNT-ZYHUDNBSSA-N 253.323 0.621 10 10 CCCE CC(=O)C(=O)[C@H](O)c1c(Br)ncn1C 1887498454 AULPYYGQNNEQNT-SSDOTTSWSA-N 261.075 0.374 10 10 CCCE C[C@@H](N)c1ccc(N2CC[C@@H](NS(C)(=O)=O)C2)cc1O 703140206 YKEGCZCBSNEBKT-NXEZZACHSA-N 299.396 0.540 10 10 CCCE CN1CCN(c2cc3c(cc2N)OCCO3)C[C@H]1CO 687610772 XGJPVKFYMWTUMC-JTQLQIEISA-N 279.340 0.153 10 10 CCCE C[C@H]1CS(=O)(=O)C[C@H]1NCc1ccc(O)c(O)c1 711651944 AGEXWRWPVPRSBK-WCBMZHEXSA-N 271.338 0.621 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3CCS[C@@H](CO)C3)cc21 720042985 DNZSGOVXUCMKIT-ZWNOBZJWSA-N 293.392 0.577 10 10 CCCE C[C@H](NCCc1nnnn1C)c1cc(O)ccc1O 2119295096 HGQURWACLQXABG-QMMMGPOBSA-N 263.301 0.515 10 10 CCCE Nc1ccc(CCCN2C[C@H](C(=O)O)NC2=O)cc1 2123102431 SOIGVUPYTQDFSO-LLVKDONJSA-N 263.297 0.680 10 10 CCCE COc1ccc(CNC[C@H](C)NC(=O)CC(N)=O)cc1C 1498026922 UDVGHIXNVUKZMQ-NSHDSACASA-N 293.367 0.473 10 10 CCCE Cn1cc(NC(=O)Cc2ccc(O)c(O)c2)ccc1=O 1630784844 AMUANDYYBFFSGT-UHFFFAOYSA-N 274.276 0.978 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NCCOC1CCOCC1 1635576354 VYIKUPBCZHIXLJ-UHFFFAOYSA-N 295.335 0.952 10 10 CCCE Cn1ccc(=NC(=O)c2cc(O)cs2)nc1O 1631756012 KHTDHRSHLBAVSL-UHFFFAOYSA-N 251.267 0.634 10 10 CCCE NC(=O)N[C@H]1CCN(c2ccc3c(c2)CC[C@@H]3O)C1 2128322959 ULWPFLSTNYCMBM-GWCFXTLKSA-N 261.325 0.913 10 10 CCCE O[C@H]1CCc2cc(N3C[C@@H](O)[C@H]4COC[C@@H]43)ccc21 2128328332 MYMDVSGYTAAKQM-ZQDZILKHSA-N 261.321 0.862 10 10 CCCE C[C@@H]1CO[C@H](CO)CN1CCc1ccc(N)cc1 167857678 MRGPQDGXPFTJMT-RISCZKNCSA-N 250.342 0.893 10 10 CCCE CN1C(=O)[C@H](O)c2ccc(N3C[C@@H]4COC[C@H]43)cc21 2129726220 MZRQDVQHXUTMST-BZHVJNSISA-N 260.293 0.531 10 10 CCCE Nc1ccc(-n2nnc(C(=O)NC3CCCC3)n2)cc1 1857878945 PGOHJRFKHNEJFX-UHFFFAOYSA-N 272.312 0.917 10 10 CCCE Cc1cccc(CNS(=O)(=O)c2cn(C)nn2)c1O 2139750314 GLSHPQKCDZNZKJ-UHFFFAOYSA-N 282.325 0.308 10 10 CCCE CN(C)c1noc([C@@H](N)Cc2ccc(O)c(O)c2)n1 228047649 AQKOGASFDPEYSB-QMMMGPOBSA-N 264.285 0.789 10 10 CCCE COCCNC(=O)CN[C@@H](C)c1ccc(OC)cc1O 228694503 QRFOAAZTPKJBOH-JTQLQIEISA-N 282.340 0.814 10 10 CCCE C[C@@H](c1ccc(Cl)cc1O)N(CC(N)=O)CC(N)=O 2138554497 YOLKBBHVEXVASS-ZETCQYMHSA-N 285.731 0.379 10 10 CCCE C[C@H](Nc1cnn(CC(N)=O)c1)c1c(O)cccc1O 235537248 WJDPLFANYSJMRL-QMMMGPOBSA-N 276.296 0.953 10 10 CCCE C[C@]1(NCc2ccc(O)c(O)c2O)CCS(=O)(=O)C1 235737416 NVZIHPPZKXICKG-LBPRGKRZSA-N 287.337 0.470 10 10 CCCE COC(=O)C(F)(F)[C@H](N)Cc1ccc(O)c(O)c1 1952205558 YTBKFPGPQKQUDN-SECBINFHSA-N 261.224 0.776 10 10 CCCE Cc1cc(O)c([C@H]2CS(=O)(=O)NCCN2)cc1C 1953031040 JJLOSBNZSQLNDR-LLVKDONJSA-N 270.354 0.573 10 10 CCCE CN1CC[C@H](NC(=O)Cc2ccc(N)cc2)CC1=O 1972289542 JVYCGFFVQABOGN-LBPRGKRZSA-N 261.325 0.548 10 10 CCCE N[C@@H]1C[C@@H]2CN(Cc3cc(F)ccc3O)CCN2C1=O 1972677834 UMRHBVPPKSFZCT-VXGBXAGGSA-N 279.315 0.275 10 10 CCCE O=C1NC(=O)[C@H](CCCNCc2cccc(F)c2O)N1 2150329740 GYZROYQIBDIBOD-JTQLQIEISA-N 281.287 0.609 10 10 CCCE CCOC(=O)C[C@H](N)[C@H](O)c1ccc(O)c(O)c1 259737321 PICSXCZUWQVMFQ-QPUJVOFHSA-N 255.270 0.412 10 10 CCCE COC(=O)[C@]1(O)Cc2cc(OC)ccc2N(C)C1 260781306 PCPQABCSLCFSAH-ZDUSSCGKSA-N 251.282 0.592 10 10 CCCE CN1CCN(c2cnn(CCCN=[N+]=[N-])c(=O)c2)CC1 165308441 VKEQGCRDHDOIKD-UHFFFAOYSA-N 277.332 0.696 10 10 CCCE C[C@@H]1NC(=O)CC[C@@H]1NCc1cc2c(cc1O)OCO2 282386324 OSELBQMNVHJOAE-WPRPVWTQSA-N 278.308 0.878 10 10 CCCE CNCc1ccc(N2CCCC2(CO)CO)cc1 2029368376 HPGKJIPZNUAAHH-UHFFFAOYSA-N 250.342 0.730 10 10 CCCE CN1C[C@H](NC(=O)Nc2ccc(N)cc2)[C@H](O)C1 2029866814 LKARZDAVEMBURK-WDEREUQCSA-N 250.302 0.065 10 10 CCCE CNS(=O)(=O)CCN(C)c1ccc(OC)cc1N 2033630064 ALKJUDUDNRDMCQ-UHFFFAOYSA-N 273.358 0.263 10 10 CCCE CCOc1cccc(CN(CCN)CCN)c1O 2034688146 FBSSOEMWBUXKHC-UHFFFAOYSA-N 253.346 0.510 10 10 CCCE N[C@@H]1CN(Cc2ccc(O)cc2O)[C@@H]2COC[C@H]12 2040556316 XWLDCMCFWPNBNJ-IJLUTSLNSA-N 250.298 0.256 10 10 CCCE Cc1nnc([C@H](NN)c2ccc(N(C)C)cc2)n1C 400479709 AQORREUAYXPQMY-GFCCVEGCSA-N 260.345 0.742 10 10 CCCE Cc1cc(N2CCC(O)(CO)CC2)ccc1CN 313645474 AECGSLBTSZIYRE-UHFFFAOYSA-N 250.342 0.777 10 10 CCCE O=C(O)C[C@H]1C(=O)NCCN1Cc1c(O)cccc1F 2160794559 RAINTHYSYPHWJO-JTQLQIEISA-N 282.271 0.306 10 10 CCCE CN(C)C[C@H]1CN(CCN=[N+]=[N-])C[C@@H]1CN(C)C 705965846 FUPUCLMVSFJLLK-RYUDHWBXSA-N 254.382 0.968 10 10 CCCE COc1ccc(N2CCN(C(=O)[C@H](C)ON)CC2)cc1 708675485 WCDCRLVPSPJKLV-NSHDSACASA-N 279.340 0.623 10 10 CCCE NCc1cc(F)c(N2CC[C@H](NC(N)=O)C2)c(F)c1 690785432 OCWLVMYAEHYYDG-QMMMGPOBSA-N 270.283 0.671 10 10 CCCE Nc1ccc(CCC(=O)NCCOCCC(=O)O)cc1 380386851 VPQLJIHXTUVMPR-UHFFFAOYSA-N 280.324 0.809 10 10 CCCE CO[C@H]1CS(=O)(=O)C[C@H]1N(C)c1ccc(CO)cc1 696821803 JZGDOYIDQLTJGA-OLZOCXBDSA-N 285.365 0.427 10 10 CCCE CN1C(=O)C[C@H](N[C@H]2CCc3cccc(O)c32)C1=O 389178064 PZPZEYPFVAILAB-UWVGGRQHSA-N 260.293 0.726 10 10 CCCE CC(C)N1CC(NC(=O)COc2ccc(N)cc2)C1 393611045 BUZACYSGIRHRJF-UHFFFAOYSA-N 263.341 0.856 10 10 CCCE O=C(NC[C@H]1[C@@H]2CS(=O)(=O)C[C@H]12)c1ccc(O)c(O)c1 2174622115 OWWDKZOUUDDDFX-OWUUHHOZSA-N 297.332 0.118 10 10 CCCE Nc1cc2c(cc1N1C[C@@H]3NC(=O)O[C@@H]3C1)OCCO2 2176920643 MMWRFHCGRVAZMZ-QPUJVOFHSA-N 277.280 0.337 10 10 CCCE CN1C(=O)N[C@H]2CN(c3ccc(CN)cc3F)CC[C@@H]21 2171304217 CTBGQHBHCFDVOG-AAEUAGOBSA-N 278.331 0.887 10 10 CCCE CC(C)(C)NC(=O)CNC(=O)c1cc(O)c(O)c(O)c1 2188867465 AVHPEVNWNZUFLI-UHFFFAOYSA-N 282.296 0.448 10 10 CCCE N[C@@H]1C[C@H]2C[C@H]1CN(C(=O)c1cc(O)c(O)c(O)c1)C2 2188910738 XCOPKSKHVPMIST-FKTZTGRPSA-N 278.308 0.613 10 10 CCCE N[C@H]1CCc2cc(N3CCN4C(=O)NC[C@H]4C3)ccc21 2184741959 QSWQTZQEICMKNH-JSGCOSHPSA-N 272.352 0.846 10 10 CCCE C[C@H](O)C[C@@H]1COCCN1C(=O)c1cc(O)nc(O)c1 2185336508 FUENFAUMIRUYHO-WCBMZHEXSA-N 282.296 0.105 10 10 CCCE C[C@@H]1COC[C@@H](C(=O)NCc2ccccc2O)N1 2049335928 VIYHVLGYAJXHOY-KOLCDFICSA-N 250.298 0.385 10 10 CCCE C[C@@]1(CO)COCCN1c1ccc(CN)c(F)c1 2049903503 KJGRMIYPCQLBJN-CYBMUJFWSA-N 254.305 0.872 10 10 CCCE Cn1cnc(Cl)c1[C@H](NCCCN=[N+]=[N-])C(N)=O 2054892331 KRVBRGRGYYIZIG-LURJTMIESA-N 271.712 0.890 10 10 CCCE COc1cccc(O)c1CN1C[C@H](N)[C@@H](OC)C1 2058765116 WKGNOKIHGMCRQZ-GWCFXTLKSA-N 252.314 0.559 10 10 CCCE Cc1c(S(=O)(=O)N(C)c2ccc(N)cc2)c(=N)[nH]n1C 2191760206 JMPKYTGOEUOPJG-UHFFFAOYSA-N 295.368 0.548 10 10 CCCE Nc1cc2c(cc1N1CC[C@H](CO)[C@@H](N)C1)OCCO2 2191795907 RXELJRNCMVUZJT-KOLCDFICSA-N 279.340 0.186 10 10 CCCE CC(=O)c1ccc(O)c(CN2CC(CNC(N)=O)C2)c1 2187285797 JDRSGVUDHVCTTG-UHFFFAOYSA-N 277.324 0.695 10 10 CCCE NC[C@H]1C[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)C1 2068621907 SIRSENOGAHPOJL-WRXNHJIOSA-N 252.270 0.271 10 10 CCCE C[C@@H](CCN)N(C)C(=O)c1cc(O)c(O)c(O)c1 2068622671 ZESCHWWRBQPVOT-ZETCQYMHSA-N 254.286 0.613 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3C[C@H]4C[C@H]3CN4C)ccc21 2187593230 PXSOEQLUGHBVFR-SUNKGSAMSA-N 272.352 0.792 10 10 CCCE CN(C)c1ccc(CNC2([C@@H](O)CO)CC2)cc1 2069746013 WWWYSDHVMGFBPQ-ZDUSSCGKSA-N 250.342 0.728 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@H]3C[C@@]3(N)C2)cc1 2071733774 KGPIMQLQTDOBCN-ZYHUDNBSSA-N 267.354 0.132 10 10 CCCE Nc1ccc(OCC(=O)N2CCOCCO2)cc1 2077876895 DYHDGPWUDABWHU-UHFFFAOYSA-N 252.270 0.438 10 10 CCCE COc1ccc(N2CCNC[C@@H](O)C2)c(F)c1F 2081860718 FQHRFBSTLGBRDO-MRVPVSSYSA-N 258.268 0.744 10 10 CCCE CNCc1ccc(N2C[C@H]3C[C@H]2[C@@H](O)[C@@H]3O)c(F)c1 2104423546 LALKPIABZGCBJA-GJQVQUKXSA-N 266.316 0.475 10 10 CCCE COc1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CF)c(N)c1 2084799036 RJLBTBGMVSZMFQ-SDDRHHMPSA-N 256.277 0.157 10 10 CCCE CN1CCc2cc([C@@H](NN)[C@H]3COCCO3)ccc21 2106862085 PWXZGOABSPMLJR-ZIAGYGMSSA-N 263.341 0.599 10 10 CCCE CC[C@H](O)c1ccc(N2CC(OCC(N)=O)C2)cc1 2089139654 NUSPOHTXVQCRHB-ZDUSSCGKSA-N 264.325 0.821 10 10 CCCE CC(C)S(=O)(=O)NC1CN(c2ccc(CO)cc2)C1 2109339729 ICUYUVOKFWKNKX-UHFFFAOYSA-N 284.381 0.695 10 10 CCCE C[C@@H](N)c1ccc(N2C[C@]3(CO)C[C@@]3(CO)C2)cc1 2090114017 PJUAFPIDROFKQB-UGFHNGPFSA-N 262.353 0.887 10 10 CCCE CC(C)N(C)S(=O)(=O)NCCc1ccc(O)c(O)c1 2091754107 SWYYRHBSUCQDQQ-UHFFFAOYSA-N 288.369 0.815 10 10 CCCE C[C@@]1(O)CN(c2ccc(CO)cc2[N+](=O)[O-])CC[C@@H]1O 2201543425 KSEIXKSYUKEHIV-QWHCGFSZSA-N 282.296 0.409 10 10 CCCE COc1cccc(O)c1CN1CCC[C@@]1(CO)C(=O)O 2201043974 KGWIMIYEMSDRHS-CQSZACIVSA-N 281.308 0.812 10 10 CCCE CN(C)C[C@@H]1COC[C@@H]1Nc1c(N)cccc1C(N)=O 2206386603 GHAHCZCZVOZITD-SKDRFNHKSA-N 278.356 0.356 10 10 CCCE N[C@H]1C[C@@H](F)CN(C(=O)c2ccc(O)c(O)c2)C1 2219145727 KALOMFGJFAVCHZ-BDAKNGLRSA-N 254.261 0.609 10 10 CCCE COc1ccc(N2CCC[C@@H]2C(N)=O)c(CO)c1 2220431490 UFGNHHHDYSFGPN-GFCCVEGCSA-N 250.298 0.642 10 10 CCCE O=[N+]([O-])c1cc(NS(=O)(=O)CCCO)ccc1O 2220608803 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CC(C)[C@]1(NC(=O)c2cccc(O)c2O)CCNC1=O 2296517048 YUSTVQGSNIHNAG-CQSZACIVSA-N 278.308 0.742 10 10 CCCE C[C@@H](NN(C)S(C)(=O)=O)c1ccc(F)cc1O 2301556724 PETCSAJEVASSBB-SSDOTTSWSA-N 262.306 0.988 10 10 CCCE CC(C)C(=O)NCCNC(=O)C=Cc1ccc(O)c(O)c1 2307987320 SFTQOVOOZIDSOL-UHFFFAOYSA-N 292.335 0.999 10 10 CCCE C[C@@H](NS(=O)(=O)c1cnc(N)nc1)c1ccccc1O 1309768645 GXDDVLPVZOMXGE-MRVPVSSYSA-N 294.336 0.804 10 10 CCCE O=S1(=O)C[C@H]2CN(Cc3ccc(F)cc3O)C[C@@H]21 2314965449 VBGGMZFRQSOXHP-SKDRFNHKSA-N 271.313 0.760 10 10 CCCE Cc1cc([C@H](C)N)ccc1N1CC([C@H](O)CO)C1 2315146400 JANOEAPNJXHPAR-IINYFYTJSA-N 250.342 0.804 10 10 CCCE NC(=O)c1cccc(N)c1N[C@H]1C[C@H]2CNC[C@@H]1C2 2332130359 AOCFLHJOKNQKCC-AUTRQRHGSA-N 260.341 0.778 10 10 CCCE C[C@H](NCCS(=O)(=O)CCO)c1cc(F)ccc1O 2335768082 VDJLBUKAOKQTKC-VIFPVBQESA-N 291.344 0.589 10 10 CCCE O=C(CN1CCOC[C@H](F)C1)c1ccc(O)c(O)c1 2336675137 ZVUKIRGWIXSNGB-SNVBAGLBSA-N 269.272 0.951 10 10 CCCE O=C(O)/C=C1\SC(=S)N(CCC(=O)O)C1=O 103038965 LDGPBAYDUHPKEN-ARJAWSKDSA-N 261.280 0.290 10 10 CCCE C[C@H](O)c1ccc(N2[C@H]3CC[C@@H]2C[C@H](O)[C@@H]3O)cc1O 2357053365 VHQPKWNFKYHMLB-OXBIVINXSA-N 279.336 0.908 10 10 CCCE CNCCN(C)c1cc2c(cc1N)OCC(=O)N2 70304803 BMLRUTSFFSAXNW-UHFFFAOYSA-N 250.302 0.255 10 10 CCCE CCOC(=O)CNC(=O)CCc1ccc(N)cc1 38051744 DRSKQONUPZDSCP-UHFFFAOYSA-N 250.298 0.881 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N3CCC(C(N)=O)CC3)cc21 131338122 NWZISBYOASBNHV-ZDUSSCGKSA-N 288.351 0.365 10 10 CCCE CN1CC[C@@H](NC(=O)c2ccn(-c3ccc(N)cc3)n2)C1 49083129 VUCPAXABHZVCOM-GFCCVEGCSA-N 285.351 0.888 10 10 CCCE C[C@@H](c1ccccc1O)N1CC[C@@](N)(C(=O)O)C1 229198746 GEBPYCXJWSUFPH-ZANVPECISA-N 250.298 0.941 10 10 CCCE COC(=O)[C@]1(NCCCN=[N+]=[N-])CN2CCC1CC2 90259318 MWRAYRZMHVUCRU-LBPRGKRZSA-N 267.333 0.914 10 10 CCCE CCOc1cccc([C@H]2NC(=O)[C@@H]3COCCN32)c1O 93884993 UHMFZSNBFUMQDN-GWCFXTLKSA-N 278.308 0.620 10 10 CCCE COC[C@@H](O)[C@@H](N)c1c(Br)ccc(N)c1O 95804117 XQJWRRAJUYHCSG-VXNVDRBHSA-N 291.145 0.744 10 10 CCCE N[C@@H](Cc1c(Br)cc(O)c(O)c1F)C(=O)O 258723637 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COCC(O)(CNCc1ccc(C)cc1O)COC 1875695037 IPYDUJTWWWHDLU-UHFFFAOYSA-N 269.341 0.814 10 10 CCCE NCC12CC(NC(=O)Nc3ccc(N)cc3)(CO1)C2 1876136703 HGMVOGFHVIULBP-UHFFFAOYSA-N 262.313 0.651 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@H]2CCCC[C@H]2N)cc1 1876458883 IXJGDCKOVCDVKT-OLZOCXBDSA-N 283.397 0.958 10 10 CCCE CC[C@H]1NCC[C@@H]1NC(=O)COc1ccc(N)cc1 1876519634 PEMCIXVUKSNYLR-OLZOCXBDSA-N 263.341 0.904 10 10 CCCE C[C@H](NC(=O)C1=C[C@@H](O)[C@H](N)C1)c1ccccc1O 1877590851 XYMSFICFYOQUQU-RLCGTCKNSA-N 262.309 0.588 10 10 CCCE Cc1cccc(O)c1CN1CCn2nnc(CO)c2C1 894810218 PZSOEQCKNJMCHE-UHFFFAOYSA-N 274.324 0.800 10 10 CCCE Cn1cc(C(=O)NCc2c(O)cccc2F)c(O)nc1=O 1156170284 JUGYJHTVOVQHAY-UHFFFAOYSA-N 293.254 0.261 10 10 CCCE O=C(CNC(=O)N1CCCC1)NCc1c(O)cccc1O 1156885459 FPBIGDGJMAVCAQ-UHFFFAOYSA-N 293.323 0.519 10 10 CCCE COc1cc(O)c([C@H](N)c2nnco2)c(OC)c1 83384318 KUFWYXYMPNBJEE-JTQLQIEISA-N 251.242 0.841 10 10 CCCE Nc1ccc(OCC(=O)N2CC[C@@H](N3CCC3)C2)cc1 702245424 JUKLMXQBOPZGHD-CYBMUJFWSA-N 275.352 0.954 10 10 CCCE CCOc1cccc(CNC[C@@H](CO)OC)c1O 1964589850 WLURPUYIZDXQDY-NSHDSACASA-N 255.314 0.888 10 10 CCCE CN1[C@H](C(=O)Nc2ccc(N)cc2)CC[C@@H]1C(=O)O 704674540 JQIZAADDQJFMJO-WDEREUQCSA-N 263.297 0.755 10 10 CCCE NC(=O)N=Nc1ccc(C(=O)N[C@H]2C[C@H](O)[C@H](O)C2)cc1 1178281117 FUKXDYVMAUCYEH-RTCCRHLQSA-N 292.295 0.463 10 10 CCCE COC[C@](C)(CO)N(C)CCOc1ccc(N)cc1 689787130 UZVBTTGOTSSPAY-AWEZNQCLSA-N 268.357 0.977 10 10 CCCE Cn1cnc(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1 775286581 YRQXHVXOEXSFMB-UHFFFAOYSA-N 298.280 0.835 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N(C)CCS(C)(=O)=O)ccc21 94298862 JHMIUXFOZAWGFQ-LBPRGKRZSA-N 297.380 0.380 10 10 CCCE Nc1ccc(CC(=O)NC[C@@H]2CC[C@H](C(=O)O)O2)cc1 94560320 POSZPMXLGHQREA-NWDGAFQWSA-N 278.308 0.560 10 10 CCCE C[S@](=O)C1CN(C[C@@H](O)COc2ccc(N)cc2)C1 2115307127 VSWICADMSMMRKX-WYRIXSBYSA-N 284.381 0.071 10 10 CCCE CCn1ncc(C(=O)NCc2cc(N)ccc2O)n1 2115815623 WDOBPCSTMNTHIC-UHFFFAOYSA-N 261.285 0.516 10 10 CCCE Nc1ccc(CNC[C@@H]2C[C@H]3C[C@H]2[C@@H](O)[C@H]3O)cc1 2117789300 JNBQLYMGLBWMGQ-ZYDPBQMLSA-N 262.353 0.736 10 10 CCCE CC1(C)[C@@H](O)[C@H](O)CN1C(=O)c1cccc(O)c1O 2124806309 ZWNNTNGEAQPITF-KOLCDFICSA-N 267.281 0.054 10 10 CCCE [N-]=[N+]=NC1CN(S(=O)(=O)N2C[C@@H]3CC[C@H]3C2)C1 1912191249 PCMBFRUTWUTPFL-YUMQZZPRSA-N 257.319 0.568 10 10 CCCE CN(Cc1ccccc1O)C(=O)NCc1nc(N)n[nH]1 1684749488 HIHSXHOAWATFQM-UHFFFAOYSA-N 276.300 0.434 10 10 CCCE N[C@H]1CCCc2cc(N3CC(=O)NC(=O)C3)ccc21 2128268918 MKXJVQRJGLXPNO-LBPRGKRZSA-N 259.309 0.486 10 10 CCCE C[C@@]1(NC(=O)c2cc(O)c(O)c(O)c2)CCC[C@@H]1N 2132400150 KQSXZHCCIYNXHZ-GXFFZTMASA-N 266.297 0.803 10 10 CCCE Cc1cc(NS(=O)(=O)N2CC[C@@H](O)C2)c(C)cc1O 1914122488 HUWTYSQIFLFULE-SNVBAGLBSA-N 286.353 0.732 10 10 CCCE Nc1ccc(CCC(=O)NCC[C@@H](O)C(=O)O)cc1 236350595 VGFGHALURUSUDG-LLVKDONJSA-N 266.297 0.153 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1N[C@H]2CC[C@H]1C21CC1 1905899770 XMKVVOKJTTUWPO-IUCAKERBSA-N 261.281 0.764 10 10 CCCE N[C@@H](CCF)C(=O)NCCc1ccc(O)c(O)c1 1968738620 BZYZARWSQAMYIN-VIFPVBQESA-N 256.277 0.443 10 10 CCCE NC[C@@H]1C[C@@H](F)CN1C(=O)c1cccc(O)c1O 1923606435 ZCTKULUNERDSGX-SFYZADRCSA-N 254.261 0.609 10 10 CCCE CNCc1ccc(N(C)[C@H]2CCNC2=O)cc1OC 2139687573 NNTBZHIGSOJINN-LBPRGKRZSA-N 263.341 0.739 10 10 CCCE COc1cc(N2CC[C@H](O)C[C@@H]2CO)ccc1CN 2139682340 GLIQGUAKUNOMMG-OLZOCXBDSA-N 266.341 0.476 10 10 CCCE COc1cc(Cl)cc(CN[C@H]2CC(=O)N(C)C2=O)c1O 229052688 REKWUVYTGBOFND-VIFPVBQESA-N 298.726 0.901 10 10 CCCE Cn1cc(CN2CCN(c3ccc(N)cc3)CC2)nn1 236109237 PNLNTWOBQLQUOQ-UHFFFAOYSA-N 272.356 0.720 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CNCC2(CC2)C1 1973115068 JUIJKWPPEYEWFD-LLVKDONJSA-N 276.336 0.899 10 10 CCCE Nc1ccc(OCCC(=O)N2C[C@@H]3C[C@@H](O)[C@H]3C2)cc1 2151399372 XPLRWJXMXVEWNE-LEWSCRJBSA-N 276.336 0.877 10 10 CCCE COc1ccc(Cn2ccc3c(c2=O)CNCC3)cn1 2151961859 AYPWEMBBVXQXMS-UHFFFAOYSA-N 271.320 0.946 10 10 CCCE [N-]=[N+]=NCC1(CNC(=O)[C@@H]2CCS2(=O)=O)CC1 2006017638 BHIPYWRFKSYSQU-ZETCQYMHSA-N 258.303 0.380 10 10 CCCE CN(C[C@H]1COCCCO1)C(=O)c1cccc(O)c1O 2154000111 ILMGWUUXJLWTHL-JTQLQIEISA-N 281.308 0.975 10 10 CCCE CC(C)N(c1ccc(CN)cc1)[C@@H]1CS(=O)(=O)C[C@H]1O 2155609552 JLLHIEMTRGGFCT-ZIAGYGMSSA-N 298.408 0.518 10 10 CCCE CN(C(=O)c1cc(O)nc(O)c1)[C@@H](CC(=O)O)C(F)F 2156833413 IKBFAEDAKWIHJV-LURJTMIESA-N 290.222 0.673 10 10 CCCE NCc1ccc(N2C[C@@H](CO)[C@@H](CCO)C2)cc1 2032553226 VZGAPHPXNILKLX-STQMWFEESA-N 250.342 0.572 10 10 CCCE COCCN(C)CCNC(=O)CCc1ccc(N)cc1 61374639 IWYLSLJUMWQTQP-UHFFFAOYSA-N 279.384 0.896 10 10 CCCE Nc1ccc(OCCC(=O)N[C@@H]2C[C@H]2CO)cc1 2039784369 LJLFSTNAHVJLLL-JOYOIKCWSA-N 250.298 0.535 10 10 CCCE CO[C@H]1COCC[C@@]1(NCCCN=[N+]=[N-])C(=O)O 310825686 IBLXMAZAQWVWFZ-WPRPVWTQSA-N 258.278 0.535 10 10 CCCE CN(C)S(=O)(=O)c1ccc(C(=O)NCCN=[N+]=[N-])o1 701302083 YZUAQDVIMCMBOA-UHFFFAOYSA-N 287.301 0.570 10 10 CCCE NC(=O)CC1CN(c2cc3c(cc2N)NC(=O)CC3)C1 382136150 ZEUUTLQRDIEHDR-UHFFFAOYSA-N 274.324 0.465 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N3CC(=O)N[C@H](C)C3)ccc21 387226502 HUXVHOJXLYIHAI-AMIZOPFISA-N 274.324 0.224 10 10 CCCE O=C(N[C@@H]1CCCCNC1=O)c1ccc(O)c(O)c1 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CNC(=O)CC1CN(c2ccc(OC)cc2CO)C1 2227708587 KDTSMCSUFQKUDP-UHFFFAOYSA-N 264.325 0.760 10 10 CCCE Cc1cc(N2C[C@H](O)C[C@@H](O)C2)ccc1[C@H](C)N 2257460685 YJUKXLXJNJBPHG-CYZMBNFOSA-N 250.342 0.947 10 10 CCCE NCc1ccc(N2CC[C@H]2[C@H](O)CO)c(Cl)c1 2249580789 YTBRILQKDXNSOQ-NWDGAFQWSA-N 256.733 0.731 10 10 CCCE CNCc1ccc(N2C[C@@H]3OCC[C@]3(CO)C2)cc1 2278946255 NPIQGMTZNCTGHJ-LSDHHAIUSA-N 262.353 0.994 10 10 CCCE Nc1ccc(O)c(CNC(=O)c2cc(=O)cc[nH]2)c1 2269715206 MNSXBKFBVBQHHO-UHFFFAOYSA-N 259.265 0.593 10 10 CCCE NCCCC[C@@H](NC(=O)c1ccc(O)c(O)c1)C(=O)O 2289593053 LYBIRWHMHDHRAN-SECBINFHSA-N 282.296 0.410 10 10 CCCE Cc1cc(O)cc(C)c1NS(=O)(=O)CS(C)(=O)=O 1260592078 BFSAIVQUUIYYFD-UHFFFAOYSA-N 293.366 0.753 10 10 CCCE Cc1ccc(CN2C[C@H]3CS(=O)(=O)[C@H]3C2)c(O)c1 2314957457 YXYUPPLNKPHWJS-AAEUAGOBSA-N 267.350 0.929 10 10 CCCE CN[C@H](C)c1ccc(N2C[C@@H]3C[C@H]2[C@@H](O)[C@@H]3O)cc1 2329332455 LTOUUONLLXERMU-HQCMNVCHSA-N 262.353 0.897 10 10 CCCE O=C(N[C@H]1C[C@@H](CO)[C@@H]2C[C@H]12)c1cc(O)nc(O)c1 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CC(=O)C(=O)COC(=O)c1ccc(N2CCOC2=O)cc1 808504293 ZGJUJZFYVVONPT-UHFFFAOYSA-N 291.259 0.958 10 10 CCCE COc1cc(O)c(CN2CCN(C)CC2)cc1C(N)=O 642880456 SHTHJZYNDOPSNN-UHFFFAOYSA-N 279.340 0.247 10 10 CCCE C[C@](O)(CO)[C@H](N)c1cccc(Br)c1O 713775563 RBNZZZCHVKRFER-ZJUUUORDSA-N 276.130 0.898 10 10 CCCE CNC(=O)CN(C)c1cc2c(cc1Cl)[C@@H](N)C(=O)N2 723182380 MANNZYMPOCJYGZ-LLVKDONJSA-N 282.731 0.474 10 10 CCCE NC(=O)[C@@H]1CC[C@@H]1C(=O)N1Cc2cccc(O)c2C1 871205736 XLXYGGLGTAMYKC-ZJUUUORDSA-N 260.293 0.746 10 10 CCCE CCn1c(CCN)cc(=O)n2nc(-c3cnccn3)cc12 71468233 PNVZMCIZAAJESV-UHFFFAOYSA-N 284.323 0.474 10 10 CCCE Cc1cccc(CN[C@H]2CCn3nnnc3C2)c1O 1875667246 RARXOSYLYIFNOG-NSHDSACASA-N 259.313 0.792 10 10 CCCE NCc1nc(=NC(=O)CCc2ccc(N)cc2)s[nH]1 1876667991 SOQDSLZLPFUTMW-UHFFFAOYSA-N 277.353 0.572 10 10 CCCE C[C@H](NC(=O)[C@@H]1NCCO[C@H]1C)c1ccccc1O 1877579092 SWLHOLHSTWBYAA-OUJBWJOFSA-N 264.325 0.946 10 10 CCCE O=C(c1c(F)ccc(O)c1O)N1CCC(OCCO)CC1 1306752750 LZSUVEUUBKKGOY-UHFFFAOYSA-N 299.298 0.850 10 10 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0.695 10 10 CCCE COC(=O)NCCCC(=O)NCc1ccc(O)cc1O 1451765238 GFESFJUVGSQQOV-UHFFFAOYSA-N 282.296 0.850 10 10 CCCE COC(=O)C1(C)CN(C(=O)c2cc(O)nc(O)c2)C1 2117770677 RRQXZYVQCHXXIX-UHFFFAOYSA-N 266.253 0.128 10 10 CCCE C[C@@H](O)[C@@H](N)C(=O)N(C)Cc1ccc(N(C)C)cc1 2118550046 KEQLKSKXBVFXAD-ZWNOBZJWSA-N 265.357 0.419 10 10 CCCE OC[C@H]1CN(c2ccc3c(c2)OCO3)CCCN1 214569594 BEYWLROTSYEZCL-SNVBAGLBSA-N 250.298 0.576 10 10 CCCE COc1ccc(N2[C@@H](C)CCNC(=O)[C@@H]2CO)cc1 217097442 BBHPJDQBNOVBLH-GWCFXTLKSA-N 264.325 0.771 10 10 CCCE CC(=O)N1C[C@@H](c2ccc(O)c(O)c2)[C@@H]([N+](=O)[O-])C1 1614807191 NVZJOHOPMNFHCZ-UWVGGRQHSA-N 266.253 0.689 10 10 CCCE CC(C)O[C@@H]1CS(=O)(=O)C[C@H]1N(C)CCN=[N+]=[N-] 1912198477 GZRMMAFPBCWKJI-NXEZZACHSA-N 276.362 0.819 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H](N)CCO1 1966850642 NATACOPHDCYZCL-AAEUAGOBSA-N 264.325 0.857 10 10 CCCE CN(C)[C@H]1CN(c2ccc3c(c2)CC[C@H]3N)C[C@@H]1O 2128310082 CIWCPZWNXWCIKO-ILXRZTDVSA-N 261.369 0.744 10 10 CCCE Nc1ccc(NC(=O)Cn2cncc2C(=O)O)cc1 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2174417070 REQPIFRZXXLNKN-VOAKKNSGSA-N 279.336 0.565 10 10 CCCE Nc1ccc(CC(=O)N[C@H](CO)C(F)(F)F)cc1 1220447123 CNWZJAXJACEIND-SECBINFHSA-N 262.231 0.851 10 10 CCCE CC(C)[C@H](C(=O)O)N(C)C(=O)c1cc(O)c(O)c(O)c1 2188868743 WBJWLLLTQVFICN-SNVBAGLBSA-N 283.280 0.985 10 10 CCCE NCc1ccc(N2C[C@H]3C[C@H]2[C@H](O)[C@@H]3O)cc1F 2042553645 BHCZBRNRGJPIPW-NZBQSGDWSA-N 252.289 0.215 10 10 CCCE O=C(O)C[C@@H]1CCN1C(=O)c1ccc(O)c(O)c1 2047041669 ITLMVUJCYFOBIK-QMMMGPOBSA-N 251.238 0.787 10 10 CCCE COC(=O)[C@@H](N)[C@](C)(O)c1ccc(N(C)C)cc1 2049013384 ORTIKOLDFCSYEV-DGCLKSJQSA-N 252.314 0.460 10 10 CCCE C[S@@](=O)CCCNC(=O)c1cc(O)c(O)c(O)c1 2068576298 IJEFMWAABWTWKL-GOSISDBHSA-N 273.310 0.302 10 10 CCCE COc1ccc(O)c(CNC2([C@@H](O)CO)CC2)c1 2069746569 YRXVXNDFEOQGRR-LBPRGKRZSA-N 253.298 0.376 10 10 CCCE CN(c1cc2c(cc1N)OCC(=O)N2)[C@@H]1CCCNC1 2191587358 DICJRNQWHJTPHQ-SECBINFHSA-N 276.340 0.788 10 10 CCCE Nc1ccc(CCC(=O)N2C[C@H](O)CC23CNC3)cc1 2191657621 GGBHWDHLLZSBKB-CYBMUJFWSA-N 275.352 0.137 10 10 CCCE COC1(C(N)=O)CN(c2c(F)cc([C@H](C)N)cc2F)C1 2194715745 UWABRSDYDAJIJT-ZETCQYMHSA-N 285.294 0.675 10 10 CCCE C[C@H]1C[C@@]1(CN)C(=O)NCCc1ccc(O)c(O)c1 2101149878 UMYFKIHNBGKMOU-XPTSAGLGSA-N 264.325 0.741 10 10 CCCE [N-]=[N+]=NC1CCN(C(=O)C2COCCOC2)CC1 2083289199 IVMRZAMLUUSUCF-UHFFFAOYSA-N 254.290 0.951 10 10 CCCE C[C@H](O)CN(C[C@@H](C)O)C(=O)Nc1ccc(N)cc1 2103466770 PQQKCZWFHIACSH-AOOOYVTPSA-N 267.329 0.864 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1C[C@@H]2C[C@H](C[C@@H]2O)C1 2107284648 IVUNQSPJJZXLCD-JEZHCXPESA-N 264.281 0.336 10 10 CCCE CO[C@H](C)[C@H](NC(=O)c1cccc(O)c1O)C(=O)O 2087686490 PMHDCOHGZRZNEY-MUWHJKNJSA-N 269.253 0.316 10 10 CCCE C[C@H](c1c(O)cccc1O)N1CC(OCC(=O)O)C1 2088564945 SSOGNIZVKOPCHG-MRVPVSSYSA-N 267.281 0.944 10 10 CCCE COc1ccc(N2CC[C@H]3CC(=O)N[C@H]3C2)c(N)c1 2088805277 DKELPFCETWEPAV-CABZTGNLSA-N 261.325 0.992 10 10 CCCE C[C@@H]1CCN(C(=O)c2cccc(O)c2O)[C@@H]1C(N)=O 2090253319 KXARVNYJUWWDCO-XCBNKYQSSA-N 264.281 0.434 10 10 CCCE CO[C@H]1CN(C)C[C@@H]1NC(=O)Nc1ccc(N)cc1 2095440948 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C[C@]1(O)[C@H]2C[C@@H]1CN(c1ccc3c(c1)NC(=O)[C@@H]3O)C2 2286198293 CLWYGZPRCSYUES-NWIKQPOISA-N 274.320 0.879 10 10 CCCE Nc1ccc(O)c(CN2C[C@@H]3C[C@H]2[C@H](O)[C@H](O)C3)c1 2330394278 FRWIPOGNEMGYQW-VAYSNVFOSA-N 264.325 0.290 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1C[C@@H]2C[C@H]1CN2 2341065717 SWHLHACRDDXGJP-DCAQKATOSA-N 262.309 0.507 10 10 CCCE CN(Cc1ccccc1O)[C@]1(C(=O)O)COC[C@@H]1N 2347721979 AXFLBDYCWDJVPG-WCQYABFASA-N 266.297 0.005 10 10 CCCE COC(=O)NC1CN(c2ccc([C@H](C)O)c(O)c2)C1 2351830008 JNRHOWOUUZWFEI-QMMMGPOBSA-N 266.297 0.990 10 10 CCCE COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)O)c(O)c1 86815165 YUIJUUAPNWRJIF-NSHDSACASA-N 294.307 0.176 10 10 CCCE CC[C@H](NCCOCC(N)=O)c1ccccc1O 230059653 AKKLLCZYUZDQSY-NSHDSACASA-N 252.314 0.935 10 10 CCCE C[C@@H]1COC[C@H](C(=O)O)N1C(=O)c1cccc(O)c1O 2168275629 PRBFLXXEALJPJD-VXNVDRBHSA-N 281.264 0.412 10 10 CCCE CN1CCCc2cc([C@H](NN)[C@H]3CCS3(=O)=O)ccc21 2163161554 XSIJDMAZFZCOPT-KGLIPLIRSA-N 295.408 0.761 10 10 CCCE CNC(=O)C1CN(c2ccc3c(c2)NC(=O)[C@@H]3NC)C1 723159031 VQHOGFCMTNOFRL-GFCCVEGCSA-N 274.324 0.081 10 10 CCCE COc1ccc(O)c(CN2CCC[C@@](O)(CO)C2)c1 839153290 FAESCQJETOMURK-AWEZNQCLSA-N 267.325 0.720 10 10 CCCE O=C(CN1CCN(C2CC2)C1=O)NCc1ccccc1O 830527214 WWWCBOHVAARBNX-UHFFFAOYSA-N 289.335 0.908 10 10 CCCE Nc1ccc(OCCC(=O)N2C[C@H]3C[C@H]2[C@@H]3N)cc1 1876492456 YSEDTHFGSAGNCB-LJWDBELGSA-N 261.325 0.596 10 10 CCCE C[C@@H]1C[C@H](NS(=O)(=O)Cc2ccc(N)cc2)CCN1 1876409502 UALUKUMZQBCSGY-ZWNOBZJWSA-N 283.397 0.829 10 10 CCCE CC1(C)[C@@H](O)C[C@]1(CO)NCc1ccc(O)cc1O 1879567418 UHGZCNYCNJQZJQ-GXTWGEPZSA-N 267.325 0.709 10 10 CCCE C[C@@H](O)c1cc(F)c(N2CC[C@@](O)(CO)C2)c(F)c1 1880477943 AYOGIJNKUGCDKC-OQPBUACISA-N 273.279 0.952 10 10 CCCE CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)NCCN=[N+]=[N-] 1882601350 SFUIKEOYOSUIBR-MRVPVSSYSA-N 287.320 0.689 10 10 CCCE CN(Cc1ccccc1O)S(=O)(=O)CCC(=O)O 37838631 PRADIDJBCFVJEU-UHFFFAOYSA-N 273.310 0.629 10 10 CCCE Nc1ccc(NC(=O)NCCN2CCOC2=O)cc1 1964686442 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N[C@@H]1COCC[C@@]1(Sc1nccs1)C(=O)O 1904752166 FZQAESCOPYPGJQ-MUWHJKNJSA-N 260.340 0.806 10 10 CCCE CNC(=O)[C@@H](C)N(C)c1ccc2c(c1)NC(=O)[C@H]2NC 1916819885 YTESMINVORUCGB-PELKAZGASA-N 276.340 0.470 10 10 CCCE CN(C(=O)CN1CC[C@](F)(CO)C1)c1ccc(N)cc1 1917070847 CTDCIRNNRYKQNP-CQSZACIVSA-N 281.331 0.638 10 10 CCCE Cc1cccc(CNC(=O)[C@H]2CCC(=O)NC2)c1O 2139741104 HNHYSAJAJKBADW-NSHDSACASA-N 262.309 0.843 10 10 CCCE O=C(NC[C@@H]1COCCO1)[C@@H]1CNc2ccccc2N1 229877995 OHVCXJIVJPEKNF-MFKMUULPSA-N 277.324 0.424 10 10 CCCE CN(CCS(C)(=O)=O)c1ccc([N+](=O)[O-])c(CO)c1 234307346 QUWYDPGHDOHTSD-UHFFFAOYSA-N 288.325 0.568 10 10 CCCE Cn1nnc(CN(Cc2ccc(N)cc2)C2CC2)n1 236143560 VQTVWROKWYYRFD-UHFFFAOYSA-N 258.329 0.957 10 10 CCCE CN(C)CCOc1ccc(N(C)[C@@H]2COC[C@@H]2O)cc1 2143481916 MXPCWKLPFKBRSS-CABCVRRESA-N 280.368 0.823 10 10 CCCE COc1cc([C@@H]2CNC[C@H]2C(=O)O)cc(O)c1O 1951853599 HWCRHQBPSAHXBC-JGVFFNPUSA-N 253.254 0.494 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1C[C@H]2CNC[C@@H](C2)C1 2144031290 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0.692 10 10 CCCE COc1ccc(N2CCOC[C@@H]2C(=O)O)c([N+](=O)[O-])c1 88377593 KWUUVHVQRJTTHQ-LLVKDONJSA-N 282.252 0.893 10 10 CCCE C[C@@H]1CCC[C@@H](C(=O)O)N1C(=O)c1cc(O)nc(O)c1 2176082956 XHORYAOSCUOMTJ-APPZFPTMSA-N 280.280 0.961 10 10 CCCE CCN(C(=O)CCc1ccc(N)cc1)[C@@H]1CCNC1=O 2171227066 KUFKIOJQKDDEAD-CYBMUJFWSA-N 275.352 0.938 10 10 CCCE COc1ccc(N(C)C[C@@H](N)c2cn(C)nn2)cc1 715954805 URGFLGWVTFSNIE-GFCCVEGCSA-N 261.329 0.960 10 10 CCCE Nc1ccc(OCCC(=O)N(CCO)CCCO)cc1 385373519 RUOYAXNSYLHLII-UHFFFAOYSA-N 282.340 0.241 10 10 CCCE Nc1ccc(NC(=O)NC[C@@H]2COC[C@@H]2O)cc1 2071564302 WCEPHAHOFLETJT-KCJUWKMLSA-N 251.286 0.398 10 10 CCCE COC[C@H]1CCN(C(=O)c2cnn3c(O)cc(C)nc23)C1 2064926322 CMOXZFDUKSJDEN-JTQLQIEISA-N 290.323 0.852 10 10 CCCE C[C@@]12CN(C(=O)c3cc(O)nc(O)c3)C[C@@]1(C(=O)O)C2 2165456644 NYVNZHQYSWKLQX-CHWSQXEVSA-N 278.264 0.430 10 10 CCCE Nc1ccc(NC(=O)N2CCN=C3NC=NC=C32)cc1 2191517698 ZYMRCNBMRZJHIS-UHFFFAOYSA-N 270.296 0.988 10 10 CCCE COc1cc(N2CCOC[C@H]2CN)cc(OC)c1OC 2181941965 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O=C(N[C@H]1C[C@@H]([C@H](F)CO)C1)c1cc(O)c(O)c(O)c1 2199058263 KXHOENSXCAXCGQ-BWVDBABLSA-N 285.271 0.642 10 10 CCCE O=C1CC[C@@H](Oc2ccc(N3CCNCC3)cc2)C(=O)N1 2080420369 KDDHGEAGVGFSMU-CYBMUJFWSA-N 289.335 0.280 10 10 CCCE C[C@@H]1CNC(=O)C[C@](NCCCN=[N+]=[N-])(C(=O)O)C1 2103928866 PUGCBOMNCRGBNY-KWQFWETISA-N 269.305 0.646 10 10 CCCE Cc1ccc(CN2CC[C@@](N)(C(=O)O)C2)c(O)c1 2084075121 IOJOUHVLSLNOEV-ZDUSSCGKSA-N 250.298 0.688 10 10 CCCE C[C@H](N)c1ccc(N2C[C@H]3C[C@H]2[C@@H](O)[C@@H]3O)c(F)c1 2104426044 RUGMTPBIQKQIKQ-BCHGOWJXSA-N 266.316 0.776 10 10 CCCE CS(=O)(=O)N[C@H]1CCN(Cc2c(O)cccc2F)C1 2104479617 JEJLYLZMJURPDT-VIFPVBQESA-N 288.344 0.655 10 10 CCCE O=S(=O)(Nc1ccc(O)cc1F)N1CCC[C@@H]1CO 2105591175 OVEUPSLUAXJBRU-MRVPVSSYSA-N 290.316 0.645 10 10 CCCE CCN(c1ccc(N)cc1)S(=O)(=O)c1cnnn1C 2088149201 RBCKHSKMDCMXSR-UHFFFAOYSA-N 281.341 0.613 10 10 CCCE C[C@H](O)c1ccc(N2CC[C@@H](OCC(N)=O)C2)cc1 2089139886 QMWSUDBTQSBSJC-GXFFZTMASA-N 264.325 0.821 10 10 CCCE CC1(C)CO[C@@H](CO)CN1Cc1cc(N)ccc1O 2111238607 JTKBVVCRDOSFJH-GFCCVEGCSA-N 266.341 0.946 10 10 CCCE C[C@H](C(=O)Nc1ccc(N)cc1)N1C[C@H](O)[C@@H](F)C1 2092765434 GPBIZQHDJUFSOD-ZHAHWJHGSA-N 267.304 0.610 10 10 CCCE NC[C@H]1[C@H]2CN(C(=O)c3cccc(O)c3O)CC[C@@H]21 2093095094 OIJZJCYGRXXOJG-IEBDPFPHSA-N 262.309 0.765 10 10 CCCE [N-]=[N+]=NC1CCN(C[C@@H](O)CN2CCCC2=O)CC1 2113451887 HACWNDAPKJDBTN-LLVKDONJSA-N 267.333 0.744 10 10 CCCE CCN(Cc1cccc(C)c1O)[C@@H]1CC(=O)NC1=O 2114735559 QWSQIRPNBGOIDU-LLVKDONJSA-N 262.309 0.938 10 10 CCCE COc1cccc(O)c1CN(C)[C@@H]1CC(=O)NC1=O 2114735795 TUNRSDHBJNIIPR-SECBINFHSA-N 264.281 0.248 10 10 CCCE CCOc1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CF)cc1 2219583542 ZVNKYOUQYPLBJJ-AGIUHOORSA-N 255.289 0.965 10 10 CCCE CN1CCc2cc(N3C[C@@H]4C[C@H](C3)[C@H](O)[C@H]4O)ccc21 2235127449 SHCZGKYTVCDGRJ-VZAMPYOESA-N 274.364 0.857 10 10 CCCE COc1cc(N2CC(N3CCOC3=O)C2)ccc1CN 2235656698 KLBZHHUAVRMIPC-UHFFFAOYSA-N 277.324 0.795 10 10 CCCE COC[C@@H]1[C@H](O)[C@H](O)CN1c1ccc2c(c1)CCO2 2226749061 PWEPLKWNSRZRRL-BZPMIXESSA-N 265.309 0.178 10 10 CCCE CN(Cc1c[nH]nc1CCN)c1cccn(C)c1=O 2227034965 JQIRKZSJZYWXIG-UHFFFAOYSA-N 261.329 0.246 10 10 CCCE CSc1ncc(CNC[C@@H](O)CC(=N)NO)s1 2248662467 HXXGRPVLKBQYFN-LURJTMIESA-N 276.387 0.662 10 10 CCCE NC(=O)[C@]1(O)CCCN(c2ccc(OCF)cc2)C1 2278518322 JZHIKISFUAYMEO-ZDUSSCGKSA-N 268.288 0.809 10 10 CCCE Nc1ccc(OCCCN2CC[C@H](O)[C@H](O)CC2)cc1 2284563844 RDOBTVJWXMUZOL-GASCZTMLSA-N 280.368 0.855 10 10 CCCE C[C@@H](O)CN(CCN)c1cc2c(cc1N)NC(=O)CC2 2285345257 RPFBNNOSJBBIBM-SECBINFHSA-N 278.356 0.299 10 10 CCCE COc1cc(OC)c(N(C)CC2(O)CNC2)c(OC)c1 2287297552 UXKDKPJWKVUGIY-UHFFFAOYSA-N 282.340 0.483 10 10 CCCE CN(CCN=[N+]=[N-])Cc1ncnc2c1OCCO2 2319812269 OJQADHBBEQESCZ-UHFFFAOYSA-N 250.262 0.990 10 10 CCCE Cc1cnc([C@](C)(NCCN=[N+]=[N-])C(=O)O)cn1 2315398420 IBLBWDNCNHNQJA-JTQLQIEISA-N 250.262 0.985 10 10 CCCE O=C(O)[C@H]1COC[C@@H]1C(=O)NCc1ccccc1O 2338421219 GPMMCQQGSWYVFR-UWVGGRQHSA-N 265.265 0.356 10 10 CCCE N[C@H](CO)c1cccc(I)c1O 72199582 VEJFSYBTERXJPC-SSDOTTSWSA-N 279.077 0.989 10 10 CCCE CN(C)C(=O)[C@@H]1CCCN1CC(=O)Nc1ccc(N)cc1 36799092 QALDHEDZYKIPLG-ZDUSSCGKSA-N 290.367 0.760 10 10 CCCE CC(=O)[C@@H]1CCCN1C(=O)c1cc(O)c(O)c(O)c1 1148587362 HTNQJSAPZAJKKR-VIFPVBQESA-N 265.265 0.997 10 10 CCCE CCNC(=O)[C@@H]1CNCCN1[C@@H](C)c1ccccc1O 89088495 RHXHDIKFOLWEHF-AAEUAGOBSA-N 277.368 0.863 10 10 CCCE CC1(NC(=O)c2ccc(O)c(O)c2)CCNCC1 232879232 DJZJJXPVRGOTAO-UHFFFAOYSA-N 250.298 0.970 10 10 CCCE N[C@H](CO)c1cc2c(c(Br)c1O)OCCO2 258470871 HVXSSVAXJKPYPP-ZCFIWIBFSA-N 290.113 0.918 10 10 CCCE CC(=O)C(=O)COC(=O)CCN(C)C(=O)OC(C)(C)C 808549737 NWCUSDWMOFZEDX-UHFFFAOYSA-N 287.312 0.945 10 10 CCCE CN1CCc2cc([C@@H](O)[C@H]3CN4CCN3CC4)ccc21 2163061312 HETRNWXQWUWVJX-HZPDHXFCSA-N 273.380 0.712 10 10 CCCE CN1CCN(Cc2cc(C(=O)O)cc(O)c2O)CC1 642880210 LMZQQLNOPZROQK-UHFFFAOYSA-N 266.297 0.543 10 10 CCCE COC[C@@H]1C[C@@H]1CNS(=O)(=O)Cc1ccc(N)cc1 2133503780 JCGOEMNQIFDPOR-NEPJUHHUSA-N 284.381 0.971 10 10 CCCE Cn1cc(CCOC(=O)c2cccc(O)c2O)nn1 859643261 YFDKNMMAMDUQLN-UHFFFAOYSA-N 263.253 0.626 10 10 CCCE CN1CN(Cc2ccc(N3CCOCC3)c(F)c2)CC1=O 765636858 VFHHZEZHIMHWQE-UHFFFAOYSA-N 293.342 0.894 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CCCC[C@H](N)C2)cc1 1876173080 BRQHIPRMBBORHH-ZDUSSCGKSA-N 283.397 0.912 10 10 CCCE Nc1ccc(NC(=O)NC[C@H]2C[C@H](CO)CO2)cc1 1876148486 GVIUYBIDCBTMKN-BXKDBHETSA-N 265.313 0.788 10 10 CCCE CN(C[C@@H]1CCN1)c1cc2c(cc1N)OCC(=O)N2 1876361855 DCWRTRGAYKTESQ-QMMMGPOBSA-N 262.313 0.398 10 10 CCCE Nc1ccc(CS(=O)(=O)NC[C@H]2CCC[C@@H]2N)cc1 1876454305 SFJGASNQOBSYHP-YPMHNXCESA-N 283.397 0.816 10 10 CCCE C[C@](CN)(NC(=O)COc1ccc(N)cc1)C1CC1 1876523992 TYERZWRJCUYUQP-CQSZACIVSA-N 263.341 0.891 10 10 CCCE Nc1ccc(CCC(=O)NCC2[C@H]3CNC[C@H]23)cc1 1876511777 VAHZPWNXCNKESH-STQMWFEESA-N 259.353 0.783 10 10 CCCE Cc1ccc(C(=O)NCc2nc(C(N)=O)co2)c(O)c1O 1300636540 OQAWLEJEUSJIRE-UHFFFAOYSA-N 291.263 0.423 10 10 CCCE [N-]=[N+]=NCCCNC(=O)Cn1nc2ccccn2c1=O 701303576 QIXDCGMDIXDLDO-UHFFFAOYSA-N 275.272 0.313 10 10 CCCE CN1CCOC[C@@H]1CNCc1ccc(F)cc1O 1964570696 WMHCQXILKACBAI-LBPRGKRZSA-N 254.305 0.952 10 10 CCCE CN1CC[C@H](COC(=O)Cc2ccc(N)cc2)C1=O 692676420 AEAPZJNFFMIDNM-LLVKDONJSA-N 262.309 0.833 10 10 CCCE C[C@H]1CN(CC(=O)c2ccc(O)c(O)c2)CCS1(=O)=O 707565383 SGZNVNSQGDXXGP-VIFPVBQESA-N 299.348 0.399 10 10 CCCE O=C(O)[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)CCS1 699312771 ZDADBVOYCTWXNT-ZETCQYMHSA-N 284.293 0.135 10 10 CCCE CN(C)c1ccc(CNCc2cn(CCO)nn2)cc1 90636579 KBRQFZFWODFEGF-UHFFFAOYSA-N 275.356 0.626 10 10 CCCE Cn1cc([C@@H](O)C(=O)NCc2cccc(O)c2O)cn1 1455314727 IMZVGXSJKATECX-GFCCVEGCSA-N 277.280 0.181 10 10 CCCE CCOC1(CO)CN(C(=O)Cc2ccc(N)cc2)C1 2116370044 STPXXPKPFOCVNS-UHFFFAOYSA-N 264.325 0.421 10 10 CCCE NC(=O)N=Nc1ccc(C(=O)N[C@H]2C[C@@H](C(N)=O)C2)cc1 1452817766 NDEHOGXHPSLOJL-WAAGHKOSSA-N 289.295 0.843 10 10 CCCE CCOc1cccc([C@@H](C(=O)O)N2CCNCC2)c1O 211616020 KJYZCCCPGQAMGO-LBPRGKRZSA-N 280.324 0.822 10 10 CCCE CN(C)c1ccc(CN2CC[C@H](N)[C@@H](CO)C2)cc1 2122369080 OALMBYCXZRFPOV-HIFRSBDPSA-N 263.385 0.894 10 10 CCCE NC(=O)CCNC(=O)c1ccc(N=NC(N)=O)cc1 1629591443 WHOHZVDGHWHZKS-UHFFFAOYSA-N 263.257 0.454 10 10 CCCE NC(=O)[C@H]1CCCN1C(=O)Cc1ccc(O)c(O)c1 1636665713 VYZUKDBDHARKKT-SECBINFHSA-N 264.281 0.117 10 10 CCCE C[C@]1(C(=O)O)CCN1C(=O)c1ccc(O)c(O)c1 1912441783 OJJACOCYAXYUPJ-GFCCVEGCSA-N 251.238 0.787 10 10 CCCE CCCCNC(=O)NC(=O)CN1CC[C@@H](N=[N+]=[N-])C1 1912180062 VQMLKDGGLUXRPI-SECBINFHSA-N 268.321 0.997 10 10 CCCE CNC(=O)C[C@@H](C)NC(=O)NCc1cccc(OC)c1O 1686497348 LTZVPCGUASOEEF-SECBINFHSA-N 295.339 0.725 10 10 CCCE NC(=O)NC1CN(c2ccc3c(c2)CCC[C@H]3O)C1 2128274894 ROHQPTRMLPUBSL-CYBMUJFWSA-N 261.325 0.913 10 10 CCCE N[C@@H](CNCc1ccc2c(c1)CCCO2)CC(=O)O 258898672 KVGRGYPXBKPVMP-GFCCVEGCSA-N 264.325 0.903 10 10 CCCE CN1CCO[C@H](C(=O)N2CCC[C@H](CN=[N+]=[N-])C2)C1 2131265900 JBZLSVMYWIEMLH-MNOVXSKESA-N 267.333 0.866 10 10 CCCE C[C@H]1C[C@@H]1N(CCN)C(=O)c1cc(O)c(O)c(O)c1 2132404893 VNHXBWPUGDZGEJ-CBAPKCEASA-N 266.297 0.613 10 10 CCCE C[C@H](N)[C@@]1(C)CCN1C(=O)c1cc(O)c(O)c(O)c1 2132407637 QNLDDBNGJITEAZ-WPPNPWJKSA-N 266.297 0.755 10 10 CCCE 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C[C@H]1[C@H](O)CN1c1cc2c(cc1[N+](=O)[O-])OCCO2 2126125749 YKWJSLBUPZINMW-OIBJUYFYSA-N 266.253 0.935 10 10 CCCE C[C@H]1C(=O)NC(=O)CN1c1ccc2c(c1)CC[C@H]2O 2128320489 DIAUCMRAARHDCJ-QPUJVOFHSA-N 260.293 0.518 10 10 CCCE CCN(CC)CCN[C@@H](C(N)=O)c1ccccc1O 166110276 QNSQBBGMARFRAM-CYBMUJFWSA-N 265.357 0.850 10 10 CCCE C[C@H]1Cc2cc(N3C[C@@H](O)CC34CNC4)ccc2O1 2130063324 OOXKCERZDGOKBO-GWCFXTLKSA-N 260.337 0.923 10 10 CCCE CC1(C)C[C@H](O)[C@@H](O)CN1c1ccc(CN)c(F)c1 2132116273 PJNUFHLZKMXTBR-STQMWFEESA-N 268.332 0.995 10 10 CCCE COc1ccc(N(C)CC(=O)NC2CCNCC2)cc1 1968598797 DCQXFFCJXLXDTQ-UHFFFAOYSA-N 277.368 1.000 10 10 CCCE CN[C@H](c1ccccc1O)[C@@](C)(O)c1ncnn1C 1920731594 JROUTLZZCZJYFL-DGCLKSJQSA-N 262.313 0.689 10 10 CCCE N[C@H]1CCN(c2nnc(-c3cccc(O)c3O)[nH]2)C1 227282532 KPFPQGHLPCWMFW-ZETCQYMHSA-N 261.285 0.420 10 10 CCCE CC1CC(N)(C(=O)NCCc2ccc(O)c(O)c2)C1 1968740018 ZYIKGJJSTCSFDE-UHFFFAOYSA-N 264.325 0.884 10 10 CCCE NC(=O)[C@@H]1CCCN(CC(=O)Nc2ccc(N)cc2)C1 22214872 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COc1cccc(CNC[C@H]2CCS(=O)(=O)C2)c1O 38082674 NJUOGSBRIBIKJY-SNVBAGLBSA-N 285.365 0.925 10 10 CCCE O=C(O)[C@@H]1[C@@H]2OCCN(C(=O)c3ccc(O)c(O)c3)[C@@H]21 2149282062 WCTIZXSGUZEMGY-AXFHLTTASA-N 279.248 0.022 10 10 CCCE N[C@H]1C[C@]2(CCCCN2C(=O)c2cc(O)nc(O)c2)C1 2153150898 AHQNTODEDBLCCL-WJONMLJTSA-N 277.324 0.979 10 10 CCCE NC(=O)CN(Cc1ccc(N)cc1)C(=O)c1ccon1 44584841 GFJUTZVDXACMBS-UHFFFAOYSA-N 274.280 0.385 10 10 CCCE Nc1ccc(OCC(=O)NC[C@@H]2COCCCO2)cc1 2154000281 KGRQGHTTYUEZDW-CYBMUJFWSA-N 280.324 0.569 10 10 CCCE O=C1NC[C@H]2CN(C(=O)c3cccc(O)c3O)CC[C@H]12 2157182919 CTQSSGLWJOKDCJ-IUCAKERBSA-N 276.292 0.306 10 10 CCCE Oc1ccc(CNCc2cnns2)c(O)c1O 400221507 HSAOMEWXKWFQDU-UHFFFAOYSA-N 253.283 0.945 10 10 CCCE CN(Cc1ccc(N)cc1)C(=O)[C@@H]1CO[C@@H]2COC[C@@H]21 2158042607 LEXMUQKWNSXISF-MGPQQGTHSA-N 276.336 0.889 10 10 CCCE C[C@H]1[C@@H](NCc2ccc(O)c(O)c2)CCS1(=O)=O 311194520 FCLCGCFWDMWWOU-WPRPVWTQSA-N 271.338 0.763 10 10 CCCE Nc1ccc(OCCCN2C[C@H](O)[C@@H]3COC[C@@H]32)cc1 2158412280 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Nc1cccc(C(=O)O)c1N[C@@H]1COCC[C@H]1N 2071696561 ZITLLCVPDCQDQC-PSASIEDQSA-N 251.286 0.495 10 10 CCCE Cc1cc(N2CC[C@](C)(O)[C@@H](O)C2)ccc1CO 2077296177 NWRJIYSODNTUER-KBPBESRZSA-N 251.326 0.809 10 10 CCCE N[C@@H]1CCSC[C@H]1NC(=O)c1cccc(O)c1O 2077593414 NZXQSWNQPAXDNN-RKDXNWHRSA-N 268.338 0.660 10 10 CCCE CN[C@H](C)c1cnc(Sc2nc(=O)c(=O)[nH]n2C)s1 2103571253 YHOUHUGFMGDMGO-RXMQYKEDSA-N 299.381 0.357 10 10 CCCE NC(=O)[C@H]1C[C@@H](N)CN(Cc2c(O)cccc2F)C1 2104484026 NFEIURZMBQMKMG-DTWKUNHWSA-N 267.304 0.166 10 10 CCCE O=[N+]([O-])c1cc(CO)ccc1N1C[C@@H](O)C[C@H](O)C1 2105109729 BVRUGPDROIWLMA-UWVGGRQHSA-N 268.269 0.019 10 10 CCCE CC1(C)NCC[C@@H]1CNC(=O)c1cc(O)nc(O)c1 2105949456 XLJJKHXEKBIESO-SECBINFHSA-N 265.313 0.611 10 10 CCCE CC(C)[C@@H](CN)C(=O)NCCc1ccc(O)c(O)c1 2091746997 IJOIROOQNBRIMJ-LLVKDONJSA-N 266.341 0.987 10 10 CCCE Nc1cnc(F)[nH]c1=NCCc1ccc(O)c(O)c1 2091761633 ZTJYVXLGDLINLW-UHFFFAOYSA-N 264.260 0.686 10 10 CCCE CN1CCN(S(=O)(=O)Cc2ccc(N)cc2)[C@@H]2C[C@@H]21 2112100666 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0.961 10 10 CCCE COC(=O)NCC1CN(c2ccc(OC)cc2CN)C1 2235958362 KOFZKLZIQUOSLA-UHFFFAOYSA-N 279.340 0.946 10 10 CCCE Cc1ccc(O)c(CN2C[C@@H]3CN[C@H](CO)[C@@H]3C2)c1 2227318158 WFJMCTCXRXGVMK-BFHYXJOUSA-N 262.353 0.713 10 10 CCCE CN(CCN=[N+]=[N-])C(=O)[C@H]1C[C@H](S(C)(=O)=O)C1 2249052217 QRQRKQASCPKNIB-ZKCHVHJHSA-N 260.319 0.578 10 10 CCCE OC[C@@H](O)[C@@H]1CCN1c1ccc2c(c1)CCC[C@@H]2O 2270680584 NLIBWRZNWBPVEU-SOUVJXGZSA-N 263.337 0.988 10 10 CCCE Cc1cc(N2C[C@H]3C[C@H]2[C@H](O)[C@@H]3O)ccc1[C@H](C)N 2269660166 JNOIHLOJLIWOKU-VRLGFQJGSA-N 262.353 0.945 10 10 CCCE COc1cc(OC)c(N2C[C@H](N)C[C@@H](O)C2)c(OC)c1 2287145360 OOICQTNTPNWZSU-NXEZZACHSA-N 282.340 0.611 10 10 CCCE [N-]=[N+]=N[C@H]1CCC[C@H]1NS(=O)(=O)N1CC[C@H](O)C1 2312333573 QJGSNOQQPDYCOY-XHNCKOQMSA-N 275.334 0.119 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@H]3CC[C@@H]2[C@@H]3N)cc1 2332128455 VWFCTVLMOFUBIH-RAIGVLPGSA-N 281.381 0.520 10 10 CCCE Oc1cc2c(cc1O)CN(C[C@@]1(O)CCNC1)CC2 2341212013 FARKNGVJGQDIGV-CQSZACIVSA-N 264.325 0.180 10 10 CCCE CSc1ncc(CNCC(=O)N2CCOCC2)s1 2208498960 QGNZPIFVSWAAQS-UHFFFAOYSA-N 287.410 0.813 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@H]2C[C@@H]3C[C@H]2C[C@@H]3N)cc1 2357175861 KEEREESWXDDPDI-IMIFBBOLSA-N 295.408 0.814 10 10 CCCE CNC[C@H]1CCN(C(=O)c2cccc(O)c2O)C1 126672721 ACOGQDQODPNOAZ-SECBINFHSA-N 250.298 0.779 10 10 CCCE C[C@@H]1OCC[C@]1(O)CNCc1ccc(O)c(O)c1 228094721 YFGQJNFRCZBKNF-ZANVPECISA-N 253.298 0.727 10 10 CCCE C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1)[C@H]1CCCO1 40460035 LQDGKTVLERSRBO-OLUVUFQESA-N 294.351 0.651 10 10 CCCE CC(C)[C@@H](N)CCN(C)C(=O)c1cc(O)nc(O)c1 133443969 LDXXHMBMSNNQRX-JTQLQIEISA-N 267.329 0.938 10 10 CCCE NCC[C@@H]1CCN(C(=O)c2ccc(O)c(O)c2)C1 236187102 AZIUQYWMPMCISO-SECBINFHSA-N 250.298 0.909 10 10 CCCE COc1cc2c(c(OC)c1OC)[C@@](O)(CN)CN2C 527416986 BLNVWBNVEWFYOO-CYBMUJFWSA-N 268.313 0.309 10 10 CCCE CN1CCCc2cc(CNC(=O)[C@H]3COC(=O)N3)ccc21 282928789 FTHCFOPMEBUMEN-GFCCVEGCSA-N 289.335 0.794 10 10 CCCE C[C@H](O)c1ccc(N2CCN(C3COC3)CC2)cc1O 2169575534 KFGJVJWARITVNA-NSHDSACASA-N 278.352 0.966 10 10 CCCE O=C(/C=C\c1ccc(O)c(O)c1)NCCN1CCOCC1 588403317 GVVRDVDTHZYTOF-RQOWECAXSA-N 292.335 0.559 10 10 CCCE COC[C@H]1C(=O)N[C@@H](c2cc([N+](=O)[O-])ccc2O)N1C 840827881 CKJBWWFGBCPFSS-GXSJLCMTSA-N 281.268 0.376 10 10 CCCE CC(=O)N1CC[C@@H](CNC(=O)c2cccc(O)c2O)C1 846169594 IFRWJONJLCEPLC-JTQLQIEISA-N 278.308 0.696 10 10 CCCE C[C@H](NC(=O)[C@@H]1COCCO1)c1ccccc1O 827982526 XMYUQOBNPIEKBZ-CABZTGNLSA-N 251.282 0.985 10 10 CCCE C[C@H](NC(=O)C[C@@H]1COCCN1)c1ccccc1O 870988386 OCFSGVKGTLCZIM-WDEREUQCSA-N 264.325 0.948 10 10 CCCE O=C1NCC[C@H]1C(=O)NCc1ccc2cccnc2c1O 862025500 WOVGBERQCWQLIW-LLVKDONJSA-N 285.303 0.693 10 10 CCCE CC(=O)C(=O)COC(=O)[C@@]1(C2CCCC2)CCNC1=O 860023698 LFQHRRSMFQKIBL-CQSZACIVSA-N 281.308 0.384 10 10 CCCE COC[C@](C)(CNCc1ccc(O)c(O)c1O)OC 1895339653 SENJPIRJRNSQMF-ZDUSSCGKSA-N 271.313 0.945 10 10 CCCE Oc1ccc2c(c1O)CCN[C@@H]2[C@@H]1CSCN1 75793878 MHHDCFSHAORSSY-ONGXEEELSA-N 252.339 0.947 10 10 CCCE N[C@H](C(=O)NCCCCCO)c1ccc(O)c(O)c1 83497380 KVMHEFKVWYJCCK-LBPRGKRZSA-N 268.313 0.376 10 10 CCCE COc1ccc(CNCCS(=O)(=O)O)c(O)c1 83445997 JYXCOMMJQGICIH-UHFFFAOYSA-N 261.299 0.378 10 10 CCCE Cc1cc(Br)cc(CNC[C@H](O)CO)c1O 393738042 DNWGUVUZGOLAGZ-JTQLQIEISA-N 290.157 0.906 10 10 CCCE CC[C@@H](NC(=O)c1cccc(O)c1O)C(=O)OC 275085570 FTPPIJNXENRQKS-MRVPVSSYSA-N 253.254 0.779 10 10 CCCE O=C(NCCOCCF)[C@H]1CNc2ccccc2N1 702586213 LQCNJHSPEPEIEC-GFCCVEGCSA-N 267.304 0.995 10 10 CCCE CCN(CCS(C)(=O)=O)c1ccc2c(c1)NC(=O)[C@H]2N 688603820 OJEJHNXSGDUPHP-LBPRGKRZSA-N 297.380 0.509 10 10 CCCE OCc1ccc(N2C[C@H](CO)[C@@H](CO)C2)c(Cl)c1 704452596 PDXONCRFRFVQFF-GHMZBOCLSA-N 271.744 0.869 10 10 CCCE Nc1ccc(CC(=O)OC2CCS(=O)(=O)CC2)cc1 689751642 BCRAQOCGMBETCP-UHFFFAOYSA-N 283.349 0.932 10 10 CCCE Oc1ccc(CN[C@H]2CCOC[C@@H]2O)c(O)c1O 706773359 QGGNSMWNEJUAAV-WPRPVWTQSA-N 255.270 0.043 10 10 CCCE COC(=O)C1(O)CN(CCCOc2ccc(N)cc2)C1 714515542 WDHOZCQEZMHSOP-UHFFFAOYSA-N 280.324 0.257 10 10 CCCE Nc1ccc(OCC(=O)N[C@H]2C=CS(=O)(=O)C2)cc1 88852647 LNMKRMHPEXZBOQ-JTQLQIEISA-N 282.321 0.075 10 10 CCCE Cc1cc(N2CC(N(C)C3COC3)C2)ccc1CN 2116495652 ZKZYDTKMNFBHAF-UHFFFAOYSA-N 261.369 0.973 10 10 CCCE N=c1nc2ccc(=NCc3ccccc3O)[nH]n2[nH]1 2117204351 RGNQMZWVKZWJFM-UHFFFAOYSA-N 256.269 0.276 10 10 CCCE CN(C)c1ccc(CN2C[C@@H](N)C[C@@H]2C(=O)O)cc1 216985837 ZORSSJAPOITBIL-WCQYABFASA-N 263.341 0.739 10 10 CCCE CN1C(=O)O[C@H]2CN(c3ccc(CN)cc3F)C[C@@H]21 2120407587 DSHJHMLGWUKYKF-RYUDHWBXSA-N 265.288 0.924 10 10 CCCE COc1ccc(CN[C@H](C)c2nc(=O)o[nH]2)c(O)c1 2121354299 STEFBOUCHLIKRE-SSDOTTSWSA-N 265.269 0.928 10 10 CCCE [N-]=[N+]=NC[C@H]1CCN(CCN2C(=O)CCC2=O)C1 1912157033 PWJUKIKBTYIZTI-SECBINFHSA-N 251.290 0.768 10 10 CCCE CN(CCN1CCC(N=[N+]=[N-])CC1)S(C)(=O)=O 1912183655 SAPZKEXOIOXDSB-UHFFFAOYSA-N 261.351 0.653 10 10 CCCE O=C(NCC[C@H]1COCCO1)c1cccc(O)c1O 1965031040 YIYYYNYIWHVQJT-VIFPVBQESA-N 267.281 0.633 10 10 CCCE CN1CCN(C(=O)CN(C)c2ccc(N)cc2)CC1 20374492 BFILSUIDOUIPBL-UHFFFAOYSA-N 262.357 0.479 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CC(O)(C2CC2)C1 2132349773 HCGDYDBABOLTNE-UHFFFAOYSA-N 265.265 0.400 10 10 CCCE C[C@H](O)[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CCO1 1556995430 FZWHVOYUHKWLDG-ZANVPECISA-N 281.308 0.249 10 10 CCCE C[C@@H]1CO[C@@H](CNC(=O)c2cc(O)c(O)c(O)c2)C1 2132401784 BAZFOLUAGWAWDR-IONNQARKSA-N 267.281 0.958 10 10 CCCE C[C@H](CC(N)=O)N(C)C(=O)c1cc(O)c(O)c(O)c1 2132403751 MKVNBUASRKUKPY-ZCFIWIBFSA-N 268.269 0.139 10 10 CCCE COc1ccc(N2CC[C@@H](O)[C@@H](O)C2)c([N+](=O)[O-])c1 2132165525 MBIXJARNKBHHEF-NEPJUHHUSA-N 268.269 0.535 10 10 CCCE N[C@H]1CC[C@@H](C(=O)O)N(Cc2ccc(F)cc2O)C1 2139772010 JDXIROJWPJZCNZ-QWRGUYRKSA-N 268.288 0.908 10 10 CCCE CC(C)(N)CC(=O)NCCc1ccc(O)c(O)c1 1968739834 XNDUGESBLYJILY-UHFFFAOYSA-N 252.314 0.884 10 10 CCCE Nc1ccc(CS(=O)(=O)NCCN2CCOCC2)cc1 21803929 PQTFVFLYLKYCIC-UHFFFAOYSA-N 299.396 0.020 10 10 CCCE CN(C)[C@@H]1COC[C@@H]1NC(=O)COc1ccc(N)cc1 1922032925 DVLOBAYLRFSSAN-QWHCGFSZSA-N 279.340 0.093 10 10 CCCE C[C@@H](O)c1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CF)c(F)c1 2140661720 IKOIOGGGODEOPQ-KOCKLMIUSA-N 273.279 0.759 10 10 CCCE Cc1nc(CCNC(=O)COc2ccc(N)cc2)no1 231873191 WZFZZPFDQPIWHP-UHFFFAOYSA-N 276.296 0.698 10 10 CCCE CC[C@H](N)c1ccc(N2CC(=O)NC(=O)[C@H]2C)cc1 234036738 YEPMORMFQTVCHP-SKDRFNHKSA-N 261.325 0.948 10 10 CCCE CN(C)[S@@](N)(=O)=NCCc1ccc(O)c(O)c1 1948631524 KPWWVHJJYGAYDK-KRWDZBQOSA-N 259.331 0.459 10 10 CCCE COC(=O)C1(c2ccc(O)c(O)c2O)CCNCC1 1952147602 ZSHXAMSQQKHLTQ-UHFFFAOYSA-N 267.281 0.598 10 10 CCCE C[C@@H](c1ccccc1O)N(C)S(=O)(=O)c1cnnn1C 2144425316 ASUBCUUIMFMYLC-VIFPVBQESA-N 296.352 0.902 10 10 CCCE Nc1cc2c(cc1N1CC[C@@H](O)[C@H](F)C1)NC(=O)CO2 2144586156 ROQJALHXZKYKIE-RDDDGLTNSA-N 281.287 0.509 10 10 CCCE C[C@@H](NC(=O)c1cccc(O)c1O)[C@H]1CCS(=O)(=O)C1 2146116145 HCQDPJQZDSXLTL-BDAKNGLRSA-N 299.348 0.651 10 10 CCCE CNC(=O)[C@@H]1[C@H](C)CCN1C(=O)c1cccc(O)c1O 2146447698 PMZQNHMMYDACBI-KCJUWKMLSA-N 278.308 0.694 10 10 CCCE O=C1Nc2cc(N3CC[C@@H]4[C@H](CO)[C@@H]4C3)ccc2[C@H]1O 2149563758 MGDZXBHIFFSOOO-WSXWTOPLSA-N 274.320 0.737 10 10 CCCE CC[C@H](CNC(=O)Cc1ccc(O)c(O)c1)NC 2027483848 SDHIRSOGNZYUIT-SNVBAGLBSA-N 252.314 0.755 10 10 CCCE COC1(CO)CN([C@@H](C)C(=O)Nc2ccc(N)cc2)C1 2157303382 IIKIHPVTIXTHBI-JTQLQIEISA-N 279.340 0.289 10 10 CCCE C[C@@H](CC1CNC1)NC(=O)c1ccc(O)c(O)c1 2034004977 UDIBBMZHZYMXAV-QMMMGPOBSA-N 250.298 0.826 10 10 CCCE CN(C)C[C@H]1CCN1CC(=O)N(C)c1ccc(N)cc1 2160881192 BYKOROVSRRYHEL-CQSZACIVSA-N 276.384 0.868 10 10 CCCE COC[C@@](C)(CCO)NC(=O)COc1ccc(N)cc1 2157979259 UMUWXONUAQIQSO-CQSZACIVSA-N 282.340 0.551 10 10 CCCE CO[C@H]1C[C@@](NCCCN=[N+]=[N-])(C(N)=O)C1(C)C 2038771134 JUKUBMLNIRXOME-GZMMTYOYSA-N 255.322 0.945 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCN([C@H]2CN(C3CC3)C[C@@H]2O)C1 2039193574 TWMDJCNTQNVSAJ-DLOVCJGASA-N 251.334 0.826 10 10 CCCE O=C(NCC[C@H](F)C(=O)O)c1cc(O)nc(O)c1 2040612696 KPDJKELJJIOSAQ-LURJTMIESA-N 258.205 0.035 10 10 CCCE C[C@H]1C[C@@H](NS(=O)(=O)Cc2ccc(N)cc2)CO1 402068946 YATBBVSLMASDRA-JOYOIKCWSA-N 270.354 0.866 10 10 CCCE COC(=O)CS(=O)(=O)N1CCC[C@@H](N=[N+]=[N-])C1 403642594 CTFHKEHIADJBDN-SSDOTTSWSA-N 262.291 0.264 10 10 CCCE C[C@]1(CN)CCN(C(=O)c2ccc(O)c(O)c2)C1 311097846 BUTFDMSVVMOQFO-CYBMUJFWSA-N 250.298 0.909 10 10 CCCE COC(=O)c1cnc[nH]c1=NCCc1ccc(N)cc1 2162262253 INKPXQJPFLUGGT-UHFFFAOYSA-N 272.308 0.922 10 10 CCCE CN(C)c1ccc([C@H](N)[C@@](C)(O)c2ncnn2C)cc1 2163137427 CQUWSZGZAJOEMD-GXTWGEPZSA-N 275.356 0.789 10 10 CCCE O=C1Nc2cc(N3C[C@@H]4C[C@H](C3)C4O)c(F)cc2[C@H]1O 2172929833 XNRBUUNZGAYSPZ-PNDROWJDSA-N 278.283 0.628 10 10 CCCE Oc1ccnc(CNCc2cc3c(cc2O)OCO3)n1 2163209934 XCHBHNVRJGZJNY-UHFFFAOYSA-N 275.264 0.906 10 10 CCCE Oc1c(CN[C@H]2CCOC[C@H]2O)ccc(F)c1F 703327203 HGVDZKIPRGDJHE-VHSXEESVSA-N 259.252 0.910 10 10 CCCE OCc1ccc(N2C[C@@H](CO)[C@@H](CO)C2)c(F)c1 704450364 DJCKANMCBFUWMD-PHIMTYICSA-N 255.289 0.355 10 10 CCCE CN(Cc1ncn(C)n1)C(=O)COc1ccc(N)cc1 2178356341 RUABXOQGRYZRSB-UHFFFAOYSA-N 275.312 0.435 10 10 CCCE CC[C@@H](Nc1c(N)cccc1C(=O)OC)C(N)=O 379232431 PSJNTMAFPDCFSE-SECBINFHSA-N 251.286 0.731 10 10 CCCE CCNCc1ccc(N2CC[C@](O)(C(N)=O)C2)c(C)c1 380639312 VZHNTFNZZJLQRW-OAHLLOKOSA-N 277.368 0.531 10 10 CCCE C[C@H]1[C@@H](NCc2ccc(O)c(O)c2O)CCS1(=O)=O 381872099 NQUIYLPWBVJMQB-CBAPKCEASA-N 287.337 0.469 10 10 CCCE C[C@H]1[C@@H](O)CCCN1C(=O)c1cc(O)nc(O)c1 384771400 RUAUCSWCZRGSBN-CBAPKCEASA-N 252.270 0.478 10 10 CCCE Nc1ccc(CCC(=O)N2CC[C@](O)(C(=O)O)C2)cc1 386671851 OMMWEUCJTZSPFT-CQSZACIVSA-N 278.308 0.249 10 10 CCCE CCNCc1ccc(N2C[C@H](O)C[C@@H]2CO)c(F)c1 698177515 CDDTXQGQBLULRU-VXGBXAGGSA-N 268.332 0.867 10 10 CCCE NC(=S)c1cnc(NC(=O)c2ccc(O)c(O)c2)cn1 2169245655 WBJGVTQUNGUACG-UHFFFAOYSA-N 290.304 0.774 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CC[C@@H]2NCC[C@@H]2C1 2188922505 HOIOUTDMBAGRGE-SCZZXKLOSA-N 278.308 0.627 10 10 CCCE C[C@]1(O)CCN(CC(=O)Nc2ccc(N)cc2)C[C@@H]1O 2197968613 VKFFBAKAVLRSKP-JSGCOSHPSA-N 279.340 0.025 10 10 CCCE CCOC(=O)[C@]1(NCCN=[N+]=[N-])CCCNCC1 2042371379 QDJSSWIEXZXYOC-NSHDSACASA-N 255.322 0.962 10 10 CCCE CO[C@H]1C[C@H](O)CN(CCc2ccc(N)cc2)C1 2046664576 OHYUZUPRGFPBJU-KBPBESRZSA-N 250.342 0.893 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)[C@@H]2NC[C@H]3CCC[C@@H]32)C1 2049786675 OHTKCONBHUKRJU-ZZBQETCWSA-N 250.342 0.640 10 10 CCCE N[C@H]1C[C@H](CCNC(=O)c2cc(O)nc(O)c2)C1 2050372429 SLVZTFVEDWEERO-XWEPSHTISA-N 251.286 0.350 10 10 CCCE C[C@H]1C[C@H](N)CN(c2cc3c(cc2N)OCC(=O)N3)C1 2191627855 UDGFEBSCEQJYGW-IUCAKERBSA-N 276.340 0.773 10 10 CCCE CO[C@@H]1C[C@H](CN)N(c2cc3c(cc2N)OCCO3)C1 2191607428 UMCHISNLBWULFY-NXEZZACHSA-N 279.340 0.592 10 10 CCCE NCC[C@@H]1CN(Cc2ccc(O)cc2O)CCO1 2055861473 ZJECBHXMYVGTOR-GFCCVEGCSA-N 252.314 0.647 10 10 CCCE Nc1ccc(OCC(=O)NC[C@H]2CC3(CC3)CN2)cc1 2191752499 TWHHYQMZPDAFNB-GFCCVEGCSA-N 275.352 0.906 10 10 CCCE NCc1ccc(N2CC3(CNC(=O)N3)C2)cc1Cl 2057566173 XNYUUPWTGJMHLE-UHFFFAOYSA-N 266.732 0.670 10 10 CCCE CCCN[C@@H](c1ccccc1O)[C@H](O)c1nnnn1C 2196242086 XLSLKJJNFVANFD-RYUDHWBXSA-N 277.328 0.690 10 10 CCCE C[C@H](N)c1cc(F)c(N2C[C@H](O)[C@@H](O)C2)c(F)c1 2074220318 CZLVRYPHSASYAK-CYUDJLOBSA-N 258.268 0.526 10 10 CCCE O=[N+]([O-])c1cc(N2CCC(CO)(CO)C2)ccc1CO 2188574685 UTIOUXFJHIJMSJ-UHFFFAOYSA-N 282.296 0.268 10 10 CCCE C[C@]1(O)CCN(CCc2ccc(N)cc2)C[C@@H]1O 2077293857 WFALFDJFCJBGLV-KBPBESRZSA-N 250.342 0.629 10 10 CCCE COc1ccc(N2CC[C@](C)(O)[C@@H](O)C2)c(N)c1 2077290929 ASVWCHSXWQBLAE-STQMWFEESA-N 252.314 0.599 10 10 CCCE CO[C@H]1CCN(C(=O)c2ccc(O)c(O)c2)C[C@H]1OC 2199547699 XHKZMQWUBKGMHM-QWHCGFSZSA-N 281.308 0.974 10 10 CCCE CN1C[C@@H](O)[C@H](N2CCCc3cc(CN)ccc32)C1 2100719722 AIKPESSLYYFZCF-HUUCEWRRSA-N 261.369 0.573 10 10 CCCE COC[C@@](O)(CO)CN[C@H](C)c1c(O)cccc1O 2102398646 FGYAMXARENKUQZ-RNCFNFMXSA-N 271.313 0.118 10 10 CCCE CN(C)c1ccc([C@@H](O)[C@]2(C(=O)O)CCCN2)cc1 2108568892 PXJUMTPAQISUEU-OCCSQVGLSA-N 264.325 0.993 10 10 CCCE NCc1ccc(N2CC[C@@H](OCC(N)=O)C2)c(F)c1 2089132902 IGVYDYXKDCHSDZ-SNVBAGLBSA-N 267.304 0.365 10 10 CCCE O=[N+]([O-])c1ccc(N2C[C@@H]3[C@@H](CO)[C@@H]3C2)cc1CO 2090735206 SZZDGKVOGYHIRT-GDNZZTSVSA-N 264.281 0.762 10 10 CCCE Nc1ccc(NC(=O)N2CC(=O)N[C@@H]3CC[C@H]32)cc1 2112063307 WGZKESQRAVUWCA-GHMZBOCLSA-N 260.297 0.764 10 10 CCCE C[C@H](N)[C@H]1CCCN1C(=O)Cc1ccc(O)c(O)c1 2092977615 JTHWKNYWCVFFJA-GXSJLCMTSA-N 264.325 0.979 10 10 CCCE C[C@H](CC(N)=O)N(C)c1ccc(CO)cc1[N+](=O)[O-] 2094988582 FCHQDPMUYZQIPH-MRVPVSSYSA-N 267.285 0.787 10 10 CCCE CN1CC2(C1)CN(CC(=O)Nc1ccc(N)cc1)C2 2095931888 SXVSOBVYHQKMKR-UHFFFAOYSA-N 260.341 0.455 10 10 CCCE Cc1nnn(C)c1CNC(=O)c1cccc(O)c1O 2096081705 FKNSNGWNZJRYMR-UHFFFAOYSA-N 262.269 0.465 10 10 CCCE COCC1(C(=O)O)CN(Cc2ccc(O)c(O)c2)C1 2112831771 DLBUTVRDHSBFIT-UHFFFAOYSA-N 267.281 0.631 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@]12C[C@](N)(CO1)C2 2266012757 ORUNMCZHHQNNOZ-HDJSIYSDSA-N 262.309 0.611 10 10 CCCE CN1CCOC[C@@H]1C(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-] 2218738831 RJZVDIZDENELHZ-IVZWLZJFSA-N 253.306 0.665 10 10 CCCE Cn1ncc(S(=O)(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])n1 2218747595 XTZLMUWGRCXOQA-RQJHMYQMSA-N 271.306 0.325 10 10 CCCE COc1ccc(N2CC(CO)(CO)C2)c(OC)c1 2219646000 WHSSUCYDWWXJOQ-UHFFFAOYSA-N 253.298 0.495 10 10 CCCE NC(=O)[C@@]1(O)CCCN(c2ccc3c(c2)OCCO3)C1 2235098381 GNOMDXWPOKEJRD-CQSZACIVSA-N 278.308 0.274 10 10 CCCE COc1cc(N2C[C@H](O)[C@@H](CO)C2)cc(OC)c1OC 2235141448 SYIXWYIPTCRCNC-KOLCDFICSA-N 283.324 0.502 10 10 CCCE COc1ccc(N2C[C@@H](CO)[C@@H](CO)C2)c(CO)c1 2227710995 KVRZXORIFBATSN-TXEJJXNPSA-N 267.325 0.225 10 10 CCCE CN(CCn1ccc2c(c1=O)CNCC2)C1CCC1 2228668785 LZTHQBOBTMAHJY-UHFFFAOYSA-N 261.369 0.978 10 10 CCCE COC[C@@H]1[C@@H](O)[C@H](O)CN1c1ccc([C@@H](C)O)cc1C 2240840183 OVDHQQSJBRTPKZ-JUDXGUMMSA-N 281.352 0.605 10 10 CCCE Cc1cc(N2CC[C@H](O)[C@H](O)CC2)ccc1CN 2256976694 FJVLZCJALMYSQC-OKILXGFUSA-N 250.342 0.776 10 10 CCCE CSc1ncc(CNC(=O)C[C@@H]2COC[C@@H]2N)s1 2257085234 GRSLOSNLPFLEOH-APPZFPTMSA-N 287.410 0.845 10 10 CCCE CNCc1ccc(N2CC[C@@H]2[C@@H](O)CO)c(F)c1 2258345926 NICZHNBYRMZFSE-OLZOCXBDSA-N 254.305 0.477 10 10 CCCE OCCSCCNCc1ccc(O)c(O)c1O 2299169132 BLUYDAFDTBAUDK-UHFFFAOYSA-N 259.327 0.619 10 10 CCCE O=C(O)[C@@H]1CCN(C(=O)c2cccc(O)c2O)C[C@H]1O 2295625990 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Nc1ccc(CS(=O)(=O)N[C@H]2C[C@@H](CO)[C@@H]3C[C@H]23)cc1 2354928588 POFYHIVDLZGKNX-PYJNHQTQSA-N 296.392 0.705 10 10 CCCE C[C@H](Oc1ccc(N)cc1)C(=O)N1CCOCC1 20388071 KFHZPXNTRVCAJR-JTQLQIEISA-N 250.298 0.895 10 10 CCCE CNCc1ccc(N2CCS(=O)(=O)CC2)c(C)c1 50560454 ZCPRJYHSQGVOOM-UHFFFAOYSA-N 268.382 0.949 10 10 CCCE O=C(NC[C@H]1CCC[C@H]1O)c1cccc(O)c1O 126627136 CNRVZWKQSXPQNZ-PSASIEDQSA-N 251.282 0.989 10 10 CCCE N[C@H](C(=O)O)c1cc(Br)cc(O)c1O 213310850 QDHWNHLFIFMUDO-LURJTMIESA-N 262.059 0.945 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N(CC(=O)O)C1CC1 40485307 LRWFCNMYRGSOLK-JTQLQIEISA-N 294.307 0.043 10 10 CCCE O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(O)c(O)c1 226953848 MDAXFXVFTRXQDB-MRVPVSSYSA-N 271.294 0.015 10 10 CCCE CO[C@@H]1CN(C(=O)c2cccc(O)c2O)C[C@H]1OC 234781023 ZVUBSSJDUOGBEI-GHMZBOCLSA-N 267.281 0.584 10 10 CCCE C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[C@H]1O 388047904 OGJNYBFDYPCXNY-RDDDGLTNSA-N 293.279 0.743 10 10 CCCE CCc1cc(C(=O)OCC(=O)C(C)=O)c(C)nn1 808537449 XXLFJKYZHWYNGA-UHFFFAOYSA-N 250.254 0.662 10 10 CCCE CN1CCCc2cc([C@H](Cn3ccnn3)NN)ccc21 2163106876 PUEKHDBNDVFCMV-ZDUSSCGKSA-N 272.356 0.865 10 10 CCCE CC[C@H](NC(=O)OC(C)(C)C)C(=O)OCC(=O)C(C)=O 808529024 BEMNXFMZTKEICC-VIFPVBQESA-N 287.312 0.991 10 10 CCCE COC(=O)[C@@H]1OCC[C@@H]1NCc1cc(F)ccc1O 826963057 SQDLFAMEMQSROZ-CMPLNLGQSA-N 269.272 0.951 10 10 CCCE CCOC(=O)C(=O)[C@H](N)c1c(O)cc(F)c(F)c1F 725275218 KSLKRCFIBPPJCS-SECBINFHSA-N 277.198 0.942 10 10 CCCE NC(=O)CC1CC(NC(=O)c2cc(O)cs2)C1 928052034 CCDRAXYQGZNUMJ-UHFFFAOYSA-N 254.311 0.838 10 10 CCCE Cc1ccc(O)c(CNC(=O)N[C@H]2C[C@@H](C(N)=O)C2)c1 858584368 QLFAJESJVZSBKS-JGZJWPJOSA-N 277.324 0.764 10 10 CCCE CNCCC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 852843542 ANZPDWSEOLPRKP-GFCCVEGCSA-N 277.368 1.000 10 10 CCCE CC(C)(C)n1nnc(C(=O)NCCc2ccc(N)cc2)n1 851632349 OQSOYPXKVABAGJ-UHFFFAOYSA-N 288.355 0.983 10 10 CCCE COc1ccc(N(C)CCN2CCNCC2)c(N)c1 1876281411 NFPOMBDQFUADJR-UHFFFAOYSA-N 264.373 0.619 10 10 CCCE NCC1CCN(C(=O)COc2ccc(N)cc2)CC1 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10 10 CCCE COc1cc(N)c(N2CC(=O)NC[C@H]2C)cc1OC 2124757575 YUDSQJQCQGKAGW-MRVPVSSYSA-N 265.313 0.611 10 10 CCCE Cn1cc(C(=O)N2CC[C@@H](N=[N+]=[N-])C2)n(C)c1=O 1912152972 CKKBQWMCAOKWTA-SSDOTTSWSA-N 250.262 0.249 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)NC2)C1 1912158080 VAKIOLRIHZFHQQ-DTWKUNHWSA-N 251.290 0.671 10 10 CCCE COC(=O)[C@H](CC(C)C)NC(=O)CN1CC(N=[N+]=[N-])C1 1912192522 HBIPWXYMTTVOGD-JTQLQIEISA-N 283.332 0.685 10 10 CCCE CCN[C@H]1CCc2cc(N3CC(O)(CO)C3)ccc21 2128296814 UHNDCSODMHUPLV-AWEZNQCLSA-N 262.353 0.827 10 10 CCCE O=C1CC2(CN1)CN(c1ccc3c(c1)CC[C@H]3O)C2 2128315833 WYMKTZGNVRNVTP-CYBMUJFWSA-N 258.321 0.993 10 10 CCCE COc1ccc(O)c(CN2C[C@H](O)CC23CNC3)c1 2130063738 UPTDDUXSXAZFBI-LLVKDONJSA-N 264.325 0.309 10 10 CCCE C[C@H](NC(=O)c1cc(O)c(O)c(O)c1)C(=O)N(C)C 2132351610 YSUWAGFEFVORBG-LURJTMIESA-N 268.269 0.010 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CC[C@]2(CCN2)C1 2132403589 KYKCGXXKYWMDTR-CYBMUJFWSA-N 264.281 0.381 10 10 CCCE COC[C@H](C)N(C)C[C@@H](O)COc1ccc(N)cc1 218633720 LLIUYZKNVKTNSO-WCQYABFASA-N 268.357 0.975 10 10 CCCE CC(C)CNC(=O)CNCc1ccc(O)c(O)c1O 226754066 ONYQWCBLFCXPSQ-UHFFFAOYSA-N 268.313 0.665 10 10 CCCE C[C@@H](N)c1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CO)cc1Cl 2136340475 XGLGDCVECOILQQ-FFAVSVRISA-N 286.759 0.262 10 10 CCCE COc1cc(N2C[C@@H](CO)[C@H](CO)C2)ccc1CO 2139683662 ZJGYRTSCQIDAGB-RYUDHWBXSA-N 267.325 0.225 10 10 CCCE Cc1cccc(CNC(=O)c2cc(=N)[nH]n2C)c1O 2139751455 SOBDTCVFAGOUHM-UHFFFAOYSA-N 260.297 0.777 10 10 CCCE Nc1ccc(OCC(=O)N2CC[C@@H](CCO)C2)cc1 122870975 PTXNFRMSTKVFMO-NSHDSACASA-N 264.325 0.879 10 10 CCCE CC[C@H](NCCS(=O)(=O)CCO)c1ccccc1O 1969540252 VWWDQTOHUUHLLL-LBPRGKRZSA-N 287.381 0.840 10 10 CCCE CN(C[C@@H]1CCCCN1)C(=O)c1cc(O)nc(O)c1 234296609 JEFRFUDEJKOMCO-JTQLQIEISA-N 265.313 0.707 10 10 CCCE CNCc1ccc(N2C[C@H](O)[C@H](O)C2)cc1Cl 234381598 QEMYVBZRNUQLCS-TXEJJXNPSA-N 256.733 0.601 10 10 CCCE C[C@@]1(C(=O)O)COC[C@H]1NC(=O)c1ccc(O)c(O)c1 235388843 FXANTEPHGZIDBR-ZWNOBZJWSA-N 281.264 0.317 10 10 CCCE CN1C[C@H](O)[C@H](NCc2cccc(Cl)c2O)C1 1942692492 GQYPCLDKDQFPHV-MNOVXSKESA-N 256.733 0.810 10 10 CCCE CN(C(=O)[C@@H]1CCS1(=O)=O)c1ccc(N)cc1 1945530833 LJDYBBHELJWQPP-JTQLQIEISA-N 254.311 0.419 10 10 CCCE COc1cccc(CN2C[C@@H](C(N)=O)C[C@@H](N)C2)c1O 2151020828 GCHJOIIYRVWMHD-WDEREUQCSA-N 279.340 0.035 10 10 CCCE C[C@@H]1C[C@H]2CNC[C@H]2N1C(=O)Cc1ccc(O)c(O)c1 2144029423 VNNYWSKEPXHYDZ-ADEWGFFLSA-N 276.336 0.849 10 10 CCCE COC(=O)c1ncn(CCc2ccc(O)c(O)c2)c1N 2148020569 OHVUVKONOMRKGL-UHFFFAOYSA-N 277.280 0.906 10 10 CCCE Nc1onc2c1CN(C(=O)c1ccc(O)c(O)c1)CC2 2145434943 CTOMHCVQPQPVNK-UHFFFAOYSA-N 275.264 0.867 10 10 CCCE C[C@@H](O)[C@H]1CCN(C(=O)COc2ccc(N)cc2)C1 161446438 LICFBVVIQNIRGD-MNOVXSKESA-N 264.325 0.877 10 10 CCCE C[C@H](c1ccccc1O)N(C)C(=O)Cn1cnc(N)n1 40332868 FIKDBRAQZDGXLZ-SECBINFHSA-N 275.312 0.786 10 10 CCCE C[C@H]1CO[C@H](CO)CN1CCOc1ccc(N)cc1 167838344 TVTOGOJKYYDSEU-FZMZJTMJSA-N 266.341 0.729 10 10 CCCE Nc1ccc(OCCNS(=O)(=O)CCF)cc1 2008325631 DKWPUVSXSCTVIR-UHFFFAOYSA-N 262.306 0.537 10 10 CCCE C[C@H]([C@@H](N)c1ccc2c(c1)CCN2C)S(=O)(=O)N(C)C 2154698535 ARRLHKWXJFGATR-QMTHXVAHSA-N 297.424 0.959 10 10 CCCE CCN(C)[S@](N)(=O)=NCCc1ccc(O)c(O)c1 2036693531 ZVPNYZBMFQXUTP-GOSISDBHSA-N 273.358 0.849 10 10 CCCE CN(C)C(=O)NCCCNCc1ccc(O)c(O)c1O 2157486572 DEFCJCNPVWTURU-UHFFFAOYSA-N 283.328 0.554 10 10 CCCE COC(=O)[C@](O)(CN1CC(N=[N+]=[N-])C1)C(F)(F)F 2038004862 MSPLTEBWVHSJRV-SSDOTTSWSA-N 268.195 0.447 10 10 CCCE CO[C@@]1(CO)CCN(CC(=O)Nc2ccc(N)cc2)C1 402981163 WDVQXRHZUYOIKE-AWEZNQCLSA-N 279.340 0.291 10 10 CCCE CN1C[C@H](C(=O)O)N(Cc2c(O)cccc2F)CC1=O 2160812633 XMJZBMFEKJVWGX-SNVBAGLBSA-N 282.271 0.259 10 10 CCCE C[C@H](N[C@@H]1C[C@H](CO)[C@@H](O)[C@@H]1O)c1ccc(F)cc1O 2177946348 YEYCTOCRZPJEKU-VCLBQRBZSA-N 285.315 0.285 10 10 CCCE Oc1ccc(CNC2COCCOC2)c(O)c1O 381364309 OTKDGUDDUUVWAU-UHFFFAOYSA-N 255.270 0.308 10 10 CCCE C[C@H]1[C@@H](N)CCCN1C(=O)c1cc(O)nc(O)c1 381418476 ZVEVRFVFAAUQMA-CBAPKCEASA-N 251.286 0.445 10 10 CCCE CN(CCC(N)=O)CCC(=O)Nc1ccc(N)cc1 381980089 AUSQSMGSOOWRHQ-UHFFFAOYSA-N 264.329 0.405 10 10 CCCE CC1(C)CN(C(=O)c2cccc(O)c2O)C[C@H]1N 387971716 LJDJLWHMIKYYNV-SNVBAGLBSA-N 250.298 0.907 10 10 CCCE Cc1cc(O)n2ncc(C(=O)N[C@@H](C)[C@H]3CCOC3)c2n1 2064092416 WXQAYCCPSVLRDF-UWVGGRQHSA-N 290.323 0.898 10 10 CCCE C[S@](=O)(=NCCOc1ccc(N)cc1)N1CCOCC1 2167406845 MWWLSXLOTKECLW-FQEVSTJZSA-N 299.396 0.993 10 10 CCCE CC[C@@H](N)c1ccc(N2CC3(CNS(=O)(=O)C3)C2)cc1 2176157169 GSXNIXHBTHWKDN-CYBMUJFWSA-N 295.408 0.836 10 10 CCCE C[C@@H](NCC1CN(CC(=O)O)C1)c1cc(O)ccc1O 2169328042 ULCAVIAQIFGIEU-SECBINFHSA-N 280.324 0.765 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CCC[C@H](OCCO)C1 2170219602 XVLMINZVRDKRJK-NSHDSACASA-N 281.308 0.711 10 10 CCCE CN1C(=O)NCC12CN(c1ccc(CN)c(F)c1F)C2 2177687117 HIGFIGGVEZLAIR-UHFFFAOYSA-N 282.294 0.637 10 10 CCCE C[C@H](NC(=O)COCC(=O)O)c1ccccc1O 902516149 AESYINAJMVNUOS-QMMMGPOBSA-N 253.254 0.671 10 10 CCCE COC(=O)c1nsc(=NCCOc2ccc(N)cc2)[nH]1 2182296516 FCYWIVCKUMOPQH-UHFFFAOYSA-N 294.336 0.820 10 10 CCCE 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SWWNRLSXQQFCAQ-WPRPVWTQSA-N 280.324 0.873 10 10 CCCE COc1cccc(CN2CCC[C@](O)(CN)C2)c1O 2101321196 FLPZHLZPUNCSDV-AWEZNQCLSA-N 266.341 0.686 10 10 CCCE NC(=O)[C@@H]1OCC[C@H]1NCc1ccc(F)cc1O 2084178215 ZHVFYNQOONFDJU-MWLCHTKSSA-N 254.261 0.264 10 10 CCCE C[C@H](c1ccccc1O)N(C)S(=O)(=O)N(C)CCN 2104897593 CIIILULUMUDYSB-SNVBAGLBSA-N 287.385 0.520 10 10 CCCE NC(=O)[C@@H]1CNCCN1c1ccc2c(c1)CCCO2 2106330834 GTOTYGQWVKNSBM-LBPRGKRZSA-N 261.325 0.275 10 10 CCCE O=[N+]([O-])c1ccc(N2CC[C@H](O)[C@@H](F)C2)cc1CO 2088304566 TTXMZTIVVUAKAL-JQWIXIFHSA-N 270.260 0.996 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1C[C@H](O)C2(CCC2)C1 2108705658 QCKXAEXWMYQDPA-VIFPVBQESA-N 264.281 0.480 10 10 CCCE O=C1Nc2cc(N3CC4(CC(O)C4)C3)ccc2[C@H]1O 2090136077 MRKIVLIUYBXPQJ-GFCCVEGCSA-N 260.293 0.633 10 10 CCCE NC(=O)[C@]1(O)CCN(CCCc2ccc(N)cc2)C1 2090617054 NIBOAQVRZRRRRF-AWEZNQCLSA-N 263.341 0.124 10 10 CCCE O=C(O)[C@H]1C[C@@H](F)CN1C(=O)c1cc(O)nc(O)c1 2095591134 IQCDMELJRSBFDV-RNFRBKRXSA-N 270.216 0.130 10 10 CCCE C[C@@](NC(=O)c1cc(O)nc(O)c1)(C(=O)O)C(F)F 2096495240 HXAKRZVIVXONLI-JTQLQIEISA-N 276.195 0.331 10 10 CCCE O=C(NC[C@H]1C[C@H](O)CCO1)c1cccc(O)c1O 2097944249 BUFGXJGHXBSEDR-RKDXNWHRSA-N 267.281 0.368 10 10 CCCE COC(=O)[C@@](C)(NCCCN=[N+]=[N-])[C@@H](C)S(C)(=O)=O 2114219486 JPEASJYXHFVYRM-SCZZXKLOSA-N 292.361 0.641 10 10 CCCE C[C@H](NC(=O)c1ccc(O)c(O)c1)[C@@H]1C[C@@H]1C(=O)O 2118314084 IKYOAOMDCQTPCY-XVYDVKMFSA-N 265.265 0.937 10 10 CCCE C[C@@H]1C[C@]1(F)C(=O)N(CC(N)=O)Cc1ccc(N)cc1 2206333728 HGVIIJIWHJFJTC-YMTOWFKASA-N 279.315 0.831 10 10 CCCE Nc1ccc(CCNC(=O)N[C@H]2C[C@H](C(=O)O)C2)cc1 2233319345 WYWINMIOCPZNDT-UMSPYCQHSA-N 277.324 0.974 10 10 CCCE CNCc1ccc(N2C[C@H](O)[C@H](O)[C@H]2COC)c(F)c1 2234075448 QUSMWSPDGXAFMX-HZSPNIEDSA-N 284.331 0.102 10 10 CCCE NCc1n[nH]cc1-c1nc(-c2ccc(O)c(O)c2)no1 2235318796 MXBXCBKNSPLROI-UHFFFAOYSA-N 273.252 0.997 10 10 CCCE CNCc1cc(OC)ccc1N1CC[C@H](O)[C@H](CO)C1 2235977547 SIZRDUBYBATICW-WFASDCNBSA-N 280.368 0.594 10 10 CCCE COc1ccc(N2C[C@@H](C)O[C@@H](CO)C2)c(CO)c1 2227708943 NZKGFWNXYMHLRF-ZWNOBZJWSA-N 267.325 0.774 10 10 CCCE NCCCN(CCO)C(=O)Nc1ccc(N)cc1 2255082470 YYZBUHIFBMTFMG-UHFFFAOYSA-N 252.318 0.444 10 10 CCCE NC[C@]12C[C@H]1CN(C(=O)COc1ccc(N)cc1)C2 2272629397 OQGIJNWCVUNTCH-HZMBPMFUSA-N 261.325 0.455 10 10 CCCE C[C@H](NC(=O)[C@]12CCO[C@@H]1CNC2)c1ccccc1O 2296450818 YGKJKYGSZGGHNF-ZBINZKHDSA-N 276.336 0.948 10 10 CCCE CCN(CCN=[N+]=[N-])S(=O)(=O)CC1CC(=O)C1 2300530695 VDVKVOJPVVNVGZ-UHFFFAOYSA-N 260.319 0.928 10 10 CCCE NCc1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CF)c(F)c1 2311999729 YTNGESWZTKCKDU-UTUOFQBUSA-N 258.268 0.164 10 10 CCCE C[C@@H](NC(=O)[C@@H]1C[C@H](O)CCN1)c1ccccc1O 2332173059 PMFKEAPIBWGZDG-FOGDFJRCSA-N 264.325 0.682 10 10 CCCE CO[C@H]1CNC[C@](O)(c2ccc3c(c2)CCN3C)C1 2344516952 GTFYXLDRXPLHOE-HIFRSBDPSA-N 262.353 0.875 10 10 CCCE N[C@@H]1CCc2cc(N3C[C@@H]4C[C@H]3[C@H](O)[C@H](O)C4)ccc21 2356171874 BBXIEPKDSQSDOR-PKDMHSDKSA-N 274.364 0.953 10 10 CCCE NCc1cc(F)c(N2[C@H]3CC[C@@H]2C[C@H](O)[C@@H]3O)c(F)c1 2357055523 WHBFXFJUWZHEIF-BHGAFXIHSA-N 284.306 0.886 10 10 CCCE C[C@H](NC(=O)c1cc(O)nc(O)c1)[C@@H](C)C(=O)O 132310767 PICXGRNRIICLMS-RITPCOANSA-N 254.242 0.332 10 10 CCCE CNC(=O)C1CCN(C(=O)COc2ccc(N)cc2)CC1 40304862 DEUHBDSJNPFZGA-UHFFFAOYSA-N 291.351 0.632 10 10 CCCE CS(=O)(=O)NCCCNCc1ccccc1O 227435928 MSAOHVOWRLHMTL-UHFFFAOYSA-N 258.343 0.421 10 10 CCCE Nc1ccc(CC(=O)NS(=O)(=O)C2CC2)cc1 236346390 UENSLLCWZSNCOT-UHFFFAOYSA-N 254.311 0.420 10 10 CCCE Cc1[nH]ncc1S(=O)(=O)Nc1ccc(O)cc1N 235745916 UUYIABVTLZEMFI-UHFFFAOYSA-N 268.298 0.807 10 10 CCCE CCN1CCC(NCCN=[N+]=[N-])(C(=O)OC)CC1 90256911 BCYAMKZTHBLJLT-UHFFFAOYSA-N 255.322 0.914 10 10 CCCE O=C(NC[C@@H]1CC[C@@H](O)C1)c1ccc(O)c(O)c1 236532447 RIIMIARIAGPDAO-PSASIEDQSA-N 251.282 0.989 10 10 CCCE N[C@@H](CO)c1c(O)c(O)cc(F)c1Br 258489622 IASCTLRNNBFBHL-BYPYZUCNSA-N 266.066 0.992 10 10 CCCE NC(=O)C1CN(c2c(F)cc(/C=C\C(=O)O)cc2F)C1 381973244 STNAZUBJKWDFGE-UPHRSURJSA-N 282.246 0.984 10 10 CCCE COc1ccc(N2CC(N3CCNCC3)C2)cc1OC 2162630598 JEBUMDRDNUGXKO-UHFFFAOYSA-N 277.368 0.798 10 10 CCCE CCC[C@@H](C)N1C[C@H](C(=O)OCC(=O)C(C)=O)CC1=O 808507351 JEEISUNBVPFHDE-MWLCHTKSSA-N 283.324 0.725 10 10 CCCE C[C@]12CN(S(=O)(=O)Cc3ccc(N)cc3)C[C@@]1(CO)C2 2165463900 MERFZFKAQFNSLN-UONOGXRCSA-N 296.392 0.803 10 10 CCCE Cn1cc(CCC(=O)NCc2ccccc2O)nn1 830526317 JHBPDMOXXJATMB-UHFFFAOYSA-N 260.297 0.770 10 10 CCCE C[C@H](N)[C@@H](C)NC(=O)NCCc1ccc(N)cc1 841955786 NHFZBHLGYKRXDQ-VHSXEESVSA-N 250.346 0.846 10 10 CCCE COc1cccc(O)c1CN1CCN2C[C@H](O)C[C@H]2C1 848926324 OZAWFCDLOUOVSD-NWDGAFQWSA-N 278.352 0.652 10 10 CCCE C[C@H](CC(N)=O)C(=O)NCc1c(O)cccc1F 928709050 WUUZRCNFXFXRKJ-SSDOTTSWSA-N 254.261 0.659 10 10 CCCE O=C(CCn1ccnn1)N1Cc2cccc(O)c2C1 871198981 QSMIOIPQHMUWPH-UHFFFAOYSA-N 258.281 0.916 10 10 CCCE C[C@H](N)C[S@](C)(=O)=NC(=O)COc1ccc(N)cc1 1876440991 AUUBRUBAXOHKHW-UGZDLDLSSA-N 285.369 0.619 10 10 CCCE C[C@H]1C[C@@H](CN)CN1S(=O)(=O)Cc1ccc(N)cc1 1876534607 GOACRXLRTWDIEF-JQWIXIFHSA-N 283.397 0.768 10 10 CCCE CC(C)(C)OC(=O)N[C@H](CO)C(=O)NCCN=[N+]=[N-] 1880837861 WWDZAXYGJHGWRX-SSDOTTSWSA-N 273.293 0.299 10 10 CCCE CS(=O)(=O)C[C@H]1CN(Cc2ccccc2O)CCO1 897596027 RDNLWEPHCKCFMF-GFCCVEGCSA-N 285.365 0.638 10 10 CCCE O=C(N[C@H](CO)C[C@H]1CCOC1)c1cccc(O)c1O 1963844721 OLCIXIYNWNPYSB-ZJUUUORDSA-N 281.308 0.615 10 10 CCCE NS(=O)(=O)NCCNCc1ccc(N2CCCC2)cc1 1964065916 XMGMGDCPPUYQSJ-UHFFFAOYSA-N 298.412 0.170 10 10 CCCE Cc1cccc([C@H](N)c2nnc(-c3nc[nH]n3)o2)c1O 83535105 XSCJKMKYRUGZDJ-QMMMGPOBSA-N 272.268 0.917 10 10 CCCE COc1ccc([C@H](N)c2nnc(C3CNC3)o2)c(O)c1 83547377 UZZIQBYDSHAAKT-NSHDSACASA-N 276.296 0.519 10 10 CCCE C[C@@H]1CC(=O)N(CC(=O)N(C)c2ccc(N)cc2)C1=O 40739532 FHGZANMSDJKLJU-SECBINFHSA-N 275.308 0.627 10 10 CCCE CS(=O)(=O)[C@H]1CCC[C@@]1(NCCCN=[N+]=[N-])C(N)=O 90260657 NVJCHAREGJUIHN-WPRPVWTQSA-N 289.361 0.098 10 10 CCCE N[C@@]12CCC[C@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 1893716703 JWTXHQPCJOFTRK-TVQRCGJNSA-N 263.297 0.446 10 10 CCCE COC[C@H](O)CN(C)CCCOc1ccc(N)cc1 42483236 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COc1ccc(N2CCNC[C@H](O)C2)c(OC)c1 214896234 XFTNKOIZQVUFED-JTQLQIEISA-N 252.314 0.474 10 10 CCCE CC(C)Oc1ccc(N2CCNC(=O)[C@H]2CN)cc1 216991261 WZHPSJFRGNKLPD-CYBMUJFWSA-N 263.341 0.737 10 10 CCCE Cc1cn([C@@H]2C[C@@H](O)[C@@H](CON=[N+]=[N-])O2)c(=O)nc1O 1614606106 PJWIJKPFIJBQCZ-PRJMDXOYSA-N 283.244 0.148 10 10 CCCE O=C1N[C@@H]2CN(C(=O)c3ccc(O)c(O)c3)C[C@@H]2O1 2120403598 ILRBPOYTEBUJNU-XCBNKYQSSA-N 264.237 0.031 10 10 CCCE NCc1cc(F)c(N2C[C@H](CO)[C@@H](CO)C2)cc1Cl 2120882815 CABCPDXLOHAADV-NXEZZACHSA-N 288.750 0.975 10 10 CCCE CN(C)c1ccc(C2(N3CCNCC3)COC2)cc1 258516945 GPEGIDVKTYNFIL-UHFFFAOYSA-N 261.369 0.883 10 10 CCCE CN(Cc1ccccc1O)C(=O)NC[C@H]1CNC(=O)C1 1564927148 OMGLJFGENMBYSD-SNVBAGLBSA-N 277.324 0.670 10 10 CCCE O=C1CC[C@@H](CC(=O)NCc2cc(O)ccc2O)CN1 1637126383 WMDVAUYTIANQPT-VIFPVBQESA-N 278.308 0.630 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1Cc2cncn2C1 1569393995 RPCPNOMRQDAZSG-JTQLQIEISA-N 273.292 0.578 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)C[C@H]2COCCO2)C1 1912184973 KPBWBDOPICIYON-UWVGGRQHSA-N 254.290 0.951 10 10 CCCE CCn1cc(S(=O)(=O)N(C)CCN=[N+]=[N-])nn1 1912145272 FGOSALWAQDRQFX-UHFFFAOYSA-N 259.295 0.229 10 10 CCCE CN1CCCc2cc(CNCC[C@H](O)CO)ccc21 2125837638 UULAORFNPGNKPS-AWEZNQCLSA-N 264.369 0.902 10 10 CCCE NC(=O)[C@@H]1COCCN1c1ccc2c(c1)CC[C@@H]2N 2128322506 QWMIFLVUKHOFJG-STQMWFEESA-N 261.325 0.323 10 10 CCCE C[C@H](Oc1ccc(N)cc1)C(=O)N(C)CCC(=O)O 1860082805 UOMXIBIXVPUOLP-VIFPVBQESA-N 266.297 0.969 10 10 CCCE COc1cc2c(cc1OC)N(C[C@@H](O)CO)C[C@H](C)N2 251865059 SVISTKXSZFATRT-VHSXEESVSA-N 282.340 0.677 10 10 CCCE CN(C[C@@H](N)CC(=O)O)c1ccc2c(c1)CCO2 258869320 HSKMMZLHWHQMAG-JTQLQIEISA-N 250.298 0.860 10 10 CCCE Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](N=[N+]=[N-])C2)n1 2129980336 TVZKDQCAQXLMOD-LURJTMIESA-N 265.233 0.853 10 10 CCCE N[C@H]1CC[C@H](CNC(=O)c2cc(O)c(O)c(O)c2)C1 2132402520 ZEQLUMBUZOPMAT-CBAPKCEASA-N 266.297 0.661 10 10 CCCE NC[C@H](NC(=O)c1cc(O)c(O)c(O)c1)C(F)(F)F 2132414134 UJTJVTJNYATDOV-ZETCQYMHSA-N 280.202 0.423 10 10 CCCE OCC(O)(CO)CNCc1ccc(N2CCCC2)cc1 1913786101 HBKWPOWAHVJTGN-UHFFFAOYSA-N 280.368 0.092 10 10 CCCE CC(=O)c1ccc(O)c(CN(CCO)C2COC2)c1 1915523699 VORSHUPCDPOGPZ-UHFFFAOYSA-N 265.309 0.788 10 10 CCCE NC[C@@]12CC[C@@H]1CN(C(=O)c1cccc(O)c1O)C2 1903929858 BQTGTQROCJFNTD-YMTOWFKASA-N 262.309 0.909 10 10 CCCE COc1ccc(O)c(CNC[C@](C)(O)CN(C)C)c1 224913716 WJCCRJKHVIVFJV-AWEZNQCLSA-N 268.357 0.803 10 10 CCCE Nc1ccc(CNC(=O)[C@@H]2CCc3nncn3C2)cc1 1968570658 SSJICBWCKGBOBS-LLVKDONJSA-N 271.324 0.739 10 10 CCCE C[C@@H]1CCN(CC(=O)c2ccc(O)c(O)c2)[C@@H]1CO 227060613 STDFKKYTDQKSFX-MWLCHTKSSA-N 265.309 0.983 10 10 CCCE NC(=O)[C@@H](O)CNCc1c(O)ccc2ccccc12 228628888 GQGJZBMUOBREIQ-ZDUSSCGKSA-N 260.293 0.481 10 10 CCCE O=C(O)C1(O)CCN(Cc2ccc(F)cc2O)CC1 2139762208 PEFJJLXZVXMRJV-UHFFFAOYSA-N 269.272 0.943 10 10 CCCE COC(=O)[C@@H](N)CC(=O)NCc1cccc(C)c1O 2139763588 HUUJJVPROTWUII-JTQLQIEISA-N 266.297 0.207 10 10 CCCE COc1cc(N2C[C@@H](OC)C[C@@H](O)C2)ccc1CO 2139704491 LVZNCGKLKUTPQX-OLZOCXBDSA-N 267.325 0.774 10 10 CCCE CN(C)[S@](C)(=O)=NC(=O)Cc1ccc(N)cc1 1968033401 MSMVGPXRINAJJZ-QGZVFWFLSA-N 255.343 0.912 10 10 CCCE CCNCc1ccc(N2CC(=O)NC(=O)C2)cc1Cl 233516292 NYMFFPJSNFJUPO-UHFFFAOYSA-N 281.743 0.912 10 10 CCCE CNC(=O)[C@H]1CNCCN1c1ccc(OC)c(C)c1 2141636631 UQZGLEUKYONNOO-GFCCVEGCSA-N 263.341 0.528 10 10 CCCE CCOC(=O)C1(c2cc(O)nc(O)c2)CC(N)C1 1952879758 ZOKDJGARXYJOQC-UHFFFAOYSA-N 252.270 0.415 10 10 CCCE CCNC(=O)[C@H]1COCCN1Cc1cc(N)ccc1O 159343441 AHVNVJLJGMQWGS-GFCCVEGCSA-N 279.340 0.311 10 10 CCCE OCC1(CO)C[C@H](O)[C@H](Sc2nccs2)C1 1995023674 NSKNMUPPNFYERH-JGVFFNPUSA-N 261.368 0.730 10 10 CCCE C[C@@H]1CCN(C(=O)CCc2ccc(N)cc2)[C@@H]1C(N)=O 2146446788 GJLYZEBNIVTRAA-YGRLFVJLSA-N 275.352 0.924 10 10 CCCE CN1C(=O)[C@H](O)c2ccc(N3C[C@@H]4C[C@H](O)[C@H]4C3)cc21 2151393715 ROBOWWQLIALFSL-XBEUXYKBSA-N 274.320 0.513 10 10 CCCE N[C@H]1CCCC12CN(C(=O)Cc1ccc(O)c(O)c1)C2 2154510391 RHSWPVYDCQTEHX-ZDUSSCGKSA-N 276.336 0.980 10 10 CCCE [N-]=[N+]=NCCNC(=O)NC1CCS(=O)(=O)CC1 2021029388 FXBKDERADJVYGO-UHFFFAOYSA-N 261.307 0.173 10 10 CCCE CN(C)c1ccc([C@@](C)(O)[C@](C)(O)C(=O)O)cc1 2029891939 ZNBYHLMUFSZUPH-CHWSQXEVSA-N 253.298 0.796 10 10 CCCE C[C@@](CO)(NC(=O)c1cc(O)nc(O)c1)C1CC1 2029959667 OTBNMRPHVKNQEG-LBPRGKRZSA-N 252.270 0.384 10 10 CCCE NC1CC(CCNC(=O)c2cc(O)nc(O)c2)C1 2031138110 SLVZTFVEDWEERO-UHFFFAOYSA-N 251.286 0.350 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CCO[C@H]2CCNC[C@@H]21 404181755 HRVSDNDKEMQXKF-GWCFXTLKSA-N 278.308 0.301 10 10 CCCE Nc1cc2c(cc1N1CCC[C@@H]1CCO)NC(=O)CO2 312917255 BQTZVIRWYAIIOZ-SECBINFHSA-N 277.324 0.951 10 10 CCCE CNCc1ccc(N2CC[C@@H](N3CC(O)C3)C2)c(C)c1 2158744915 WVSINYXIWZENNB-CQSZACIVSA-N 275.396 0.970 10 10 CCCE CN(c1ccc2c(c1)NC(=O)[C@H]2O)[C@H]1CN2CC[C@H]1C2 2158727526 AYNVWYQRGAIPFA-HERUPUMHSA-N 273.336 0.812 10 10 CCCE Nc1ccc(CS(=O)(=O)NCCN2CC=CC2)cc1 392247923 RLALCIUNFPGPQU-UHFFFAOYSA-N 281.381 0.560 10 10 CCCE Nc1nnc(S(=O)(=O)Nc2ccc(O)cc2)s1 722212534 IFCWMTRCBJFJPQ-UHFFFAOYSA-N 272.311 0.627 10 10 CCCE CC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1)[C@H](C)O 386660109 DIPQBFYZVSGHBD-LSJOCFKGSA-N 282.340 0.243 10 10 CCCE C[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)C[C@]1(C)CN 388307850 HNTAIEKIEYOFMJ-OQPBUACISA-N 265.313 0.550 10 10 CCCE COc1ccc(N2C[C@@H](O)C[C@]2(C)CO)c([N+](=O)[O-])c1 698144302 DKYIZQPNXMSSEV-TVQRCGJNSA-N 282.296 0.925 10 10 CCCE Cn1cc(CNC(=O)[C@H]2CNc3ccccc3N2)nn1 389901580 CQFRTEMNYZHBOQ-GFCCVEGCSA-N 272.312 0.338 10 10 CCCE O=C(O)C(=O)N1CCN(Cc2cc(Cl)ccc2O)CC1 396739646 NUNIVECTCQKCDT-UHFFFAOYSA-N 298.726 0.774 10 10 CCCE NC[C@H]1CN(C(=O)c2cc(O)nc(O)c2)C2(CCC2)C1 2174534502 GCOFHUJLAOLXKD-VIFPVBQESA-N 277.324 0.836 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NCC1(F)CC(CO)C1 2168532730 OLHSBOJSJAHYAZ-UHFFFAOYSA-N 283.299 0.867 10 10 CCCE COc1cccc(CNCC2CN(CC(=O)O)C2)c1O 2169327786 QYALQXKWVMBVNM-UHFFFAOYSA-N 280.324 0.507 10 10 CCCE C[C@@]12CC[C@@](C(=O)N3CCNCC3)(C(=O)C1=O)[C@]2(C)CF 2078852766 DIKKVDZUICHJEY-KFWWJZLASA-N 296.342 0.332 10 10 CCCE O=C(N[C@@H]1CC[C@H]2C[C@]21C(=O)O)c1cc(O)nc(O)c1 2177749702 NZVAJIYINFBLON-DAROEXNTSA-N 278.264 0.476 10 10 CCCE O=C(NC[C@@]1(F)CNCCOC1)c1cccc(O)c1O 2182451329 QDQJOVKSVQCROB-ZDUSSCGKSA-N 284.287 0.156 10 10 CCCE N[C@@H](CCNC(=O)c1cc(O)c(O)c(O)c1)C(F)(F)F 2188923942 NQQXZPMPOBEGPZ-QMMMGPOBSA-N 294.229 0.813 10 10 CCCE CN[C@@H]1C[C@@H](C)CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2188912766 MPIBLEQPQQCECF-PSASIEDQSA-N 280.324 0.873 10 10 CCCE COc1ccc(O)c(CNC[C@@](C)(O)CCO)c1 2045304265 CPZCYYPLQYCODD-ZDUSSCGKSA-N 255.314 0.624 10 10 CCCE Nc1ccc(CC(=O)N2CC([C@@H](F)CO)C2)cc1 2048045742 UMNMUFXGZQSGPW-LBPRGKRZSA-N 252.289 0.600 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)[C@]23CCCNC[C@H]2C3)C1 2049785141 WNDIVZFTFVNEQS-BIAAXOCRSA-N 250.342 0.642 10 10 CCCE CO[C@@H]1CN[C@H](CNC(=O)COc2ccc(N)cc2)C1 2191663755 MRWAPSKNPSCXJT-AAEUAGOBSA-N 279.340 0.141 10 10 CCCE Nc1ccc(OCC(=O)N2CC3(CCC[C@H]3N)C2)cc1 2191677528 BZLWLRWKFGZRMJ-CYBMUJFWSA-N 275.352 0.987 10 10 CCCE O=C1Nc2cc(N3CCn4nncc4C3)ccc2[C@@H]1O 2186624230 NUDKKIRUGSWBHW-LBPRGKRZSA-N 271.280 0.284 10 10 CCCE Nc1ccc(CS(=O)(=O)NC[C@H]2CCNC23CC3)cc1 2191792051 NPBCKNQNUSOLTH-GFCCVEGCSA-N 295.408 0.830 10 10 CCCE NCC[C@@H]1CN(Cc2ccc(O)c(O)c2)CCO1 2055860530 DXSMTWNWOQEVMF-LLVKDONJSA-N 252.314 0.647 10 10 CCCE CN(C)C1CN(c2ccc(CO)c([N+](=O)[O-])c2)C1 2068310189 LQVIPSPEDYYDQJ-UHFFFAOYSA-N 251.286 0.837 10 10 CCCE C[C@H](O)c1ccc(N2CC[C@@H](O)[C@@H](O)C2)c([N+](=O)[O-])c1 2188678557 HPOFSEKHDBACIQ-CKLFPEKLSA-N 282.296 0.580 10 10 CCCE C[C@@H](NC(=O)N(C)c1ccc(N)cc1)S(C)(=O)=O 2082896345 UPYAUFRZYGHCKG-QMMMGPOBSA-N 271.342 0.805 10 10 CCCE CNC(=O)[C@@H](C)N(C)c1ccc(CN)c(OC)c1 2084016309 KMWGLQALSUWVAI-SECBINFHSA-N 251.330 0.725 10 10 CCCE CCS(=O)(=O)CC(=O)NCc1cccc(C)c1O 2084061101 PPIFIDGQHUYGMV-UHFFFAOYSA-N 271.338 0.752 10 10 CCCE NCc1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CF)c(F)c1 2084795772 YTNGESWZTKCKDU-SDDRHHMPSA-N 258.268 0.164 10 10 CCCE CN(CCN(C)S(C)(=O)=O)c1ccc(CO)cc1F 2090795293 PQWMMCDNCUWNRZ-UHFFFAOYSA-N 290.360 0.646 10 10 CCCE CN[C@H](C)c1ccc(N2CC(OCC(N)=O)C2)cc1 2089133042 JPCUKDZOCPAUJY-SNVBAGLBSA-N 263.341 0.658 10 10 CCCE O=C(CN1CC([C@@H](F)CO)C1)c1ccc(O)c(O)c1 2110590685 DIYYULWUYZDERP-JTQLQIEISA-N 269.272 0.543 10 10 CCCE CN(C)c1ccc(CN2CC(O)(CC(=O)O)C2)cc1 2110671050 JCASNFJWHJECHI-UHFFFAOYSA-N 264.325 0.774 10 10 CCCE CN(C)c1ccc([C@@H](O)[C@H](N)c2cnnn2C)cc1 2091914581 WVJGGFVCKOZCLX-CHWSQXEVSA-N 261.329 0.615 10 10 CCCE N[C@@H](c1ccccc1O)C1(O)CC2(C1)CS(=O)(=O)C2 2095695975 CGRGCEOBNVWVNO-NSHDSACASA-N 283.349 0.332 10 10 CCCE COc1ccc(N2CC(OCCO)C2)c([N+](=O)[O-])c1 2095967490 DXBPJPCYPLLAFN-UHFFFAOYSA-N 268.269 0.801 10 10 CCCE Oc1cccc(F)c1CN[C@@H]1CCC[C@@H](O)[C@@H]1O 2217644195 YMRXVMJDCCOAQY-RAIGVLPGSA-N 255.289 0.895 10 10 CCCE COc1ccc(N2C[C@@H](O)[C@H](N(C)C)C2)c(F)c1 2219607507 HXNKCQBMBGMZKX-CHWSQXEVSA-N 254.305 0.945 10 10 CCCE COCCNS(=O)(=O)Nc1c(C)cc(O)cc1C 2223378000 QDIAOFIOYLDHKF-UHFFFAOYSA-N 274.342 0.902 10 10 CCCE NC(=O)c1cccc(N)c1N[C@@H]1CCC[C@H](O)[C@H]1O 2224291310 FTNKZZTXIBDWKY-SCVCMEIPSA-N 265.313 0.054 10 10 CCCE O=C1CN(c2ccc3c(c2)CCCO3)CCN1CCO 2235045700 LYVYRYNZWZTEOJ-UHFFFAOYSA-N 276.336 0.653 10 10 CCCE O[C@H]1COC2(CN(c3ccc(OC4CC4)cc3)C2)[C@H]1O 2235113353 PHAWIUYISFNKRN-KBPBESRZSA-N 277.320 0.539 10 10 CCCE COc1ccc(N2CC3(C2)OC[C@H](O)[C@H]3O)c(F)c1F 2235227414 BPYXESZUINARGY-QPUJVOFHSA-N 287.262 0.284 10 10 CCCE O[C@@H]1CN(c2ccc3c(c2)CCCO3)[C@@H](CF)[C@H]1O 2226674834 RIORDAHDXDPYCV-OUCADQQQSA-N 267.300 0.892 10 10 CCCE O[C@@H]1CN(c2ccc3c(c2)COCC3)[C@H]2COC[C@H]12 2226713508 ORJYUYCNLJPIME-SOUVJXGZSA-N 261.321 0.955 10 10 CCCE CN1C(=O)[C@@H](O)c2ccc(N3CC=C[C@]3(C)CO)cc21 2237173394 XHMUJWYMZOWJCI-DZGCQCFKSA-N 274.320 0.824 10 10 CCCE Nc1ccc(N2C[C@H]3[C@H](C2)[C@H]2C[C@H]3[C@H](O)[C@@H]2O)cc1 2228748000 PAWNAIFGRUYWOT-OJVARPOJSA-N 260.337 0.693 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N3CCC34CN(C)C4)ccc21 2239025987 ARBRMDIMDTULHW-CYBMUJFWSA-N 272.352 0.794 10 10 CCCE CCN[C@H](C(N)=O)[C@@H](C)Oc1ccc(N(C)C)cc1 2229370423 MTLVZFAWFXYMTM-MFKMUULPSA-N 265.357 0.983 10 10 CCCE CSc1ncc(CNC[C@@H]2COCCN2)s1 2243855525 KSEWFJQNMOFMKK-MRVPVSSYSA-N 259.400 0.943 10 10 CCCE CSc1ncc(CNC(=O)COC2(C)CNC2)s1 2257022260 FOYGJMCBIRWINW-UHFFFAOYSA-N 287.410 0.860 10 10 CCCE Cc1cc([C@H](C)O)ccc1N1CC(O)(CCO)C1 2258285138 CODYBKHHNDLAFC-NSHDSACASA-N 251.326 0.982 10 10 CCCE CO[C@H](C)[C@H](N)C(=O)NCc1cnc(SC)s1 2248614128 XKQDCZBLBSQHOM-SVRRBLITSA-N 275.399 0.843 10 10 CCCE CO[C@@H]1C[C@H]2C[C@@H]1C[C@]2(NCCN=[N+]=[N-])C(N)=O 2308689348 RUUQTZPWVPRIIH-TURQNECASA-N 253.306 0.555 10 10 CCCE [N-]=[N+]=NCCN[C@@H](C(N)=O)c1cnn(CC(F)F)c1 2343083719 DWCSEUVNXDEMHN-MRVPVSSYSA-N 273.247 0.575 10 10 CCCE CN(C)c1ccc2c(c1)CCN2[C@@](C)(CN)C(=O)O 2346342341 PQIYVOKWUSVOCK-AWEZNQCLSA-N 263.341 0.917 10 10 CCCE COCCN(CCOC)C(=O)c1cc(O)nc(O)c1 170223407 MVLSLGSELDOHLF-UHFFFAOYSA-N 270.285 0.228 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC[C@H]1CCCOC1 40469027 NUSZIVKLGJGGTG-NEPJUHHUSA-N 294.351 0.510 10 10 CCCE COC(=O)[C@H]1CN(C(=O)CCc2ccc(N)cc2)CCO1 132870700 ZAWPENBEBGQCQK-CYBMUJFWSA-N 292.335 0.602 10 10 CCCE CNC(=O)[C@@H](C)NC(=O)c1ccn(-c2ccc(N)cc2)n1 49095527 AHOHMOIEJALJID-SECBINFHSA-N 287.323 0.319 10 10 CCCE COC(=O)[C@H](NCCCN=[N+]=[N-])c1cnn(C)c1 90259392 AJFYUVPLDXZGGT-SECBINFHSA-N 252.278 0.924 10 10 CCCE CCN(CCOCCO)c1ccc2c(c1)NC(=O)[C@H]2N 380291525 RYMRKXJUNYQJSW-ZDUSSCGKSA-N 279.340 0.474 10 10 CCCE COc1ccc(N2CCC[C@H](NC(N)=O)C2)c(N)c1 702149821 VGXWTUOPUZMUFB-VIFPVBQESA-N 264.329 0.915 10 10 CCCE C[C@H](N[C@@H]1CCN(CC(=O)O)C1)c1ccc(O)cc1O 2169332213 SUDYDVVEFSCPAG-VHSXEESVSA-N 280.324 0.907 10 10 CCCE CCN[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)C[C@H]1C 721621070 CYTDIZXOGPKJIB-MWLCHTKSSA-N 279.340 0.953 10 10 CCCE CNC(=O)N1CCN(c2ccc([C@H](C)O)c(O)c2)CC1 721690195 ZIXGJIWXLUPODI-JTQLQIEISA-N 279.340 0.907 10 10 CCCE O=C(O)C[C@@H](NC(=O)c1cc(O)nc(O)c1)C(F)F 725078315 XCFGYXWWNCKPFM-RXMQYKEDSA-N 276.195 0.331 10 10 CCCE Cc1cccc(CNCC[C@@H]2CNCCS2(=O)=O)c1O 903969083 UOXFXGLNBYCQMB-CYBMUJFWSA-N 298.408 0.567 10 10 CCCE COc1ccc(N2CC[C@H](N=c3nn[nH]n3C)C2)cc1 853759632 YNNDXXFAGIAHJH-JTQLQIEISA-N 274.328 0.331 10 10 CCCE COc1cc(N)c(N2C[C@@H](O)C[C@@]2(C)CO)cc1OC 698173052 IUFPJDARZPTCBY-XPTSAGLGSA-N 282.340 0.608 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@H]2CCNC23CC3)cc1 1876453737 NXOHBSHYOZSFHQ-LBPRGKRZSA-N 281.381 0.583 10 10 CCCE CC[C@H](CN)NS(=O)(=O)CCOc1ccc(N)cc1 1876404555 YHZWCVIEWSCFQX-LLVKDONJSA-N 287.385 0.304 10 10 CCCE COc1cc(N)c(N2C[C@@H](O)C[C@@H]2CN)cc1OC 1876552024 ARVYNWXOLMNPNJ-BDAKNGLRSA-N 267.329 0.184 10 10 CCCE NC[C@]1(F)C[C@H](NC(=O)COc2ccc(N)cc2)C1 1876515434 VXGIDYIMOYUBSH-MJHDQNEOSA-N 267.304 0.593 10 10 CCCE COc1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cn1 780146114 FGECQQBMYJBQBM-UHFFFAOYSA-N 275.264 0.524 10 10 CCCE CO[C@@]1(CNCc2c(C)cccc2O)CCS(=O)(=O)C1 896683689 UQKZYTSXLLIFLY-CQSZACIVSA-N 299.392 0.994 10 10 CCCE Cn1cc(C(=O)CNC(=O)c2cc(O)cs2)cn1 1304245984 GRRKDEDLINGFTE-UHFFFAOYSA-N 265.294 0.800 10 10 CCCE [N-]=[N+]=N[C@@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1OCc1ccccc1 97973947 NZPDOBJGGCDISD-FPYNETTCSA-N 295.295 0.321 10 10 CCCE in-vitro CN(C)c1ccc([C@H](N)CNC(=O)C(C)(C)C(=O)O)cc1 1329363518 IZOCPOLPPWPYHK-GFCCVEGCSA-N 293.367 0.979 10 10 CCCE C[C@H](O)c1ccc(N2C[C@@H](O)C[C@@H]2CO)cc1O 704640515 IVEWIRKDIXVBSY-GDPRMGEGSA-N 253.298 0.377 10 10 CCCE Nc1ccc(OCCN2C[C@@H](CO)[C@@H](CO)C2)cc1 704756323 UOJYYNVJSFMFBB-TXEJJXNPSA-N 266.341 0.180 10 10 CCCE NCc1cn(C2CN(Cc3cc(F)ccc3O)C2)nn1 713370055 GGOVERSNEHAVCP-UHFFFAOYSA-N 277.303 0.638 10 10 CCCE O=C(NCC[C@H]1CCCS1(=O)=O)c1cccc(O)c1O 714376028 IGQSIQQMMKPCQJ-SECBINFHSA-N 299.348 0.795 10 10 CCCE N=C(NO)[C@@H]1CCN(C(=O)c2ccc(O)c(O)c2)C1 694566408 IKLOYCGCSOADBJ-MRVPVSSYSA-N 265.269 0.516 10 10 CCCE Cn1nnnc1Cn1ccc2c(CCN)cccc21 698272897 GGOSQYBNQWCBNX-UHFFFAOYSA-N 256.313 0.714 10 10 CCCE CS(=O)(=O)N1CC(CNCc2cccc(F)c2O)C1 779215372 MKAANNDWSPKKFA-UHFFFAOYSA-N 288.344 0.512 10 10 CCCE C[C@H](O)[C@@H](CO)NCc1ccc2c(c1)CCCN2C 2117480053 FKYOXVCFEOWKCL-SMDDNHRTSA-N 264.369 0.900 10 10 CCCE Cc1ccc(O)c([C@H](C)N[C@@H]2CCO[C@@H]2C(N)=O)c1 2117462076 DQRITHWNVMSTFR-NDMJEZRESA-N 264.325 0.994 10 10 CCCE [N-]=[N+]=CC(=O)CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 606510774 YASIIFKBMAZEJH-UHFFFAOYSA-N 265.185 0.785 10 10 CCCE CC(=O)N1CCN(C(=O)Cc2ccc(O)c(O)c2)[C@H](C)C1 1631017538 KVVLFLACCDCEAE-SNVBAGLBSA-N 292.335 0.720 10 10 CCCE CCS(=O)(=O)N(C)CC(=O)NCc1ccccc1O 1636058389 ZWFHXPGENJSJNV-UHFFFAOYSA-N 286.353 0.290 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCN(S(=O)(=O)N2CCCC2)C1 1912184688 GRXFARHEDAVOIS-VIFPVBQESA-N 259.335 0.959 10 10 CCCE COC(=O)[C@@H](C)S(=O)(=O)N(C)CCN=[N+]=[N-] 1912202170 CPUZMRUEUNWDFT-ZCFIWIBFSA-N 250.280 0.120 10 10 CCCE CC1=NNC(=O)/C1=C\Nc1ccc(O)c(C(=O)O)c1 16973175 KNZQEVYLZYNULZ-UITAMQMPSA-N 261.237 0.892 10 10 CCCE OC[C@@H]1CCn2c(nnc2-c2cccc(O)c2O)C1 2131529026 ZIEGNGCTMBDHKP-MRVPVSSYSA-N 261.281 0.911 10 10 CCCE Cc1cccc(CNS(=O)(=O)c2cn(C)cn2)c1O 1259002697 PIDPYJCTRMFCAJ-UHFFFAOYSA-N 281.337 0.913 10 10 CCCE Nc1ccc(O)c(CNC(=O)N2CC[C@H](O)C2)c1 1914114382 FZJJMZFLZVFEJS-JTQLQIEISA-N 251.286 0.251 10 10 CCCE NC(=O)CC1CCN(C(=O)c2ccc(O)c(O)c2)CC1 226955169 MKMFJULMFXZRGT-UHFFFAOYSA-N 278.308 0.825 10 10 CCCE CC[C@@H](NC)C(=O)NCCc1ccc(O)c(O)c1 1968738535 ATEDQKYQMHODLM-SNVBAGLBSA-N 252.314 0.755 10 10 CCCE C[C@H](O)c1ccc(N2C[C@H]3C(C(N)=O)[C@@H]3C2)cc1O 2136588687 PWJCQVMHBNLSEE-WHGOUJPWSA-N 262.309 0.613 10 10 CCCE COc1cc(N2CCC(O)(CO)CC2)ccc1CO 2139699035 QAMOPUHQNPVKDX-UHFFFAOYSA-N 267.325 0.511 10 10 CCCE Cc1cccc(CNC(=O)[C@@H](N)[C@@H]2CCOC2)c1O 2139758280 QOBGDAYENJCTBV-NEPJUHHUSA-N 264.325 0.681 10 10 CCCE CN1CC[C@@H](CNC(=O)[C@@H]2CNc3ccccc3N2)C1 229877834 GWPYIDYQRZVXRH-FZMZJTMJSA-N 274.368 0.961 10 10 CCCE Cn1nccc1CCNC(=O)Cc1ccc(N)cc1 230767259 IDJXHUXCKVKWHT-UHFFFAOYSA-N 258.325 0.904 10 10 CCCE CNC[C@H]1CN(Cc2ccc(OC)cc2O)CCO1 125126691 HLMLHFLVGUVJAZ-ZDUSSCGKSA-N 266.341 0.821 10 10 CCCE CCOC(=O)C[C@H](CN)c1cc(O)c(O)c(O)c1 1951422612 STXSAEMUESRNHP-MRVPVSSYSA-N 255.270 0.799 10 10 CCCE O=C(O)C1(c2ccc(O)c(O)c2O)CCNCC1 1952147262 XULHENFQVNNFDZ-UHFFFAOYSA-N 253.254 0.509 10 10 CCCE CCOC(=O)[C@H]1C[C@]1(N)c1cc(O)c(O)c(OC)c1 1952888243 QRCGTGURWQQYBB-OQPBUACISA-N 267.281 0.843 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NCC1(F)CCNCC1 1971388073 FZWKANREZPMJJA-UHFFFAOYSA-N 282.315 0.848 10 10 CCCE CS(=O)(=O)c1c(F)cc([C@H](N)CO)c(O)c1F 258770590 ZDKBARVZVPXQTA-ZCFIWIBFSA-N 267.253 0.066 10 10 CCCE C[C@H](C(=O)N1CCOCC1)N(C)Cc1ccc(N)cc1 35360558 QKKDNMZWIIPGJL-GFCCVEGCSA-N 277.368 0.948 10 10 CCCE NCc1cc(F)c(N2CC[C@H](OCC(N)=O)C2)c(F)c1 2145373349 ZZVBXMXPSGRQCM-VIFPVBQESA-N 285.294 0.504 10 10 CCCE O=C(C[S@](=O)CC(=O)c1ccc(O)c(O)c1)NC1CC1 2145894442 UAJWCRHRGNSDKK-HXUWFJFHSA-N 297.332 0.308 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CC(F)(F)C[C@@H]3CO)ccc21 2159051614 ZJGMZNAZBQKDLM-KCJUWKMLSA-N 283.278 0.845 10 10 CCCE COCCOCCNCCc1ccc(O)c(O)c1 2031071925 WVOJKTJSPQXGMJ-UHFFFAOYSA-N 255.314 0.893 10 10 CCCE Nc1ccc(OCCC(=O)OC[C@@H](O)CF)cc1 2032659036 AFNOPFZPWPGSKO-JTQLQIEISA-N 257.261 0.911 10 10 CCCE CC[C@@]1(NC(=O)c2cc(O)nc(O)c2)CCNC1 2039838700 OAQCVJGGBYAJGS-GFCCVEGCSA-N 251.286 0.365 10 10 CCCE O=C1CCCC(=O)N1CCNCc1cccc(O)c1O 405313243 GRWKPDHUFUDVAL-UHFFFAOYSA-N 278.308 0.727 10 10 CCCE COCCN(C(=O)Cc1ccc(O)c(O)c1)C1CNC1 2160197446 UUYMCHMSGBYUFI-UHFFFAOYSA-N 280.324 0.087 10 10 CCCE CCNC(=O)C[S@](=O)CCCOc1ccc(N)cc1 311902859 YLOSRSMSBPVFLX-LJQANCHMSA-N 284.381 0.923 10 10 CCCE CN1CCN(CCNC(=O)c2ccc(O)c(O)c2)CC1 2160391892 HMSATZJNENPSCX-UHFFFAOYSA-N 279.340 0.075 10 10 CCCE C[C@@H](N)c1ccc(N2C[C@@H](O)[C@@H](CO)C2)c(F)c1 316941488 MWAUWRMUNVIQEN-ZDSQKVDBSA-N 254.305 0.635 10 10 CCCE CC(CO)(CO)CN1CCCc2cc(CN)ccc21 700830746 GYUUTUCRQCPEKA-UHFFFAOYSA-N 264.369 0.889 10 10 CCCE CNC(=O)[C@@H]1CNCCN1c1ccc(OC)c(OC)c1 2162634721 CQVTZOFPAZUFEU-NSHDSACASA-N 279.340 0.228 10 10 CCCE C[C@@H](NCCc1nc(=O)o[nH]1)c1c(O)cccc1O 392181696 CFKJVOPRJIRBPB-SSDOTTSWSA-N 265.269 0.667 10 10 CCCE Cc1ccc(S(=O)(=O)NCCCN=[N+]=[N-])nn1 712806752 AFJMYNCGZAPILT-UHFFFAOYSA-N 256.291 0.764 10 10 CCCE CCN1CC[C@H](NC(=O)COc2ccc(N)cc2)C1 389220441 FGVBCIGMWIFYMZ-LBPRGKRZSA-N 263.341 0.858 10 10 CCCE C[C@H]1CCNC[C@@H]1NC(=O)c1cc(O)nc(O)c1 389723123 IKCYXNOIRJVTIE-CBAPKCEASA-N 251.286 0.221 10 10 CCCE CN(CC1CNC1)S(=O)(=O)Cc1ccc(N)cc1 2071568526 NYPPDZKSAJARAW-UHFFFAOYSA-N 269.370 0.250 10 10 CCCE C[C@H](N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O)c1cc(F)ccc1O 2177943426 GFLNTSCLQPWSNP-WXMORRPASA-N 285.315 0.285 10 10 CCCE COCC(O)(CN[C@H](C)c1cc(O)ccc1O)COC 2175893293 ONCKRJPTUFYGPK-SNVBAGLBSA-N 285.340 0.772 10 10 CCCE CO[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CC[C@H]1O 2180078750 AWZNIHBBYRUTRA-YPMHNXCESA-N 281.308 0.249 10 10 CCCE COC[C@]1(O)CCN(c2ccc(CO)c([N+](=O)[O-])c2)C1 2188575441 HVBPPMWPKWQHAZ-ZDUSSCGKSA-N 282.296 0.675 10 10 CCCE CCn1nncc1CNC(=O)c1cc(O)c(O)c(O)c1 2188911813 FWOSUWUPPSKUES-UHFFFAOYSA-N 278.268 0.345 10 10 CCCE CNCCN(C)S(=O)(=O)Nc1ccc(O)cc1C 2042214499 DFSHTQIQFVRLEB-UHFFFAOYSA-N 273.358 0.509 10 10 CCCE CCOC[C@@H](O)CNCc1c(O)cccc1OC 2042568729 HOAWDFAZAZMCCA-JTQLQIEISA-N 255.314 0.888 10 10 CCCE Nc1ccc(OCCN2[C@H]3CC[C@H]2[C@H](O)[C@@H](O)C3)cc1 2190455728 BRKVXVMVFRTMPA-MXAVVETBSA-N 278.352 0.606 10 10 CCCE NC(=O)[C@H]1CNCCN1c1ccc(OCC(F)F)cc1 2194310733 FMMYYZYIJMEOHN-LLVKDONJSA-N 285.294 0.594 10 10 CCCE NC[C@@]1(C(=O)C(=O)C[C@H]2C[C@H](N)C2)CC12CCC2 2049783729 ZXURMVJDPYRUHU-GPCCPHFNSA-N 250.342 0.771 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)[C@@]23CCC[C@H]2CNC3)C1 2049787347 XHEKIJLEIWJAGC-AYGWYOGXSA-N 250.342 0.642 10 10 CCCE [N-]=[N+]=NCCCCNC(=O)[C@H]1[C@@H]2CS(=O)(=O)C[C@@H]21 2054203126 FHGAAWLPFCWUKX-BRPSZJMVSA-N 272.330 0.484 10 10 CCCE N[C@H]1CN(Cc2cc(F)ccc2O)CC[C@H]1CO 2058508450 CVUJOTLIRRXEHI-CABZTGNLSA-N 254.305 0.673 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCN1CCN1C(=O)CNC1=O 2059059388 MMYBODXSOOOHFE-QMMMGPOBSA-N 252.278 0.313 10 10 CCCE COc1cc(N)c(N2C[C@H](N)[C@H]3COC[C@H]32)cc1OC 2191570395 LVPPAOBFFNTLFZ-UBHAPETDSA-N 279.340 0.448 10 10 CCCE CN(CCCN)CCCNC(=O)Cc1ccc(N)cc1 2191676380 RATUZXSZLUYFGB-UHFFFAOYSA-N 278.400 0.598 10 10 CCCE Nc1ccc(OCC(=O)NC[C@@H]2CC3(CC3)CN2)cc1 2191752500 TWHHYQMZPDAFNB-LBPRGKRZSA-N 275.352 0.906 10 10 CCCE CN1CCO[C@@H](C(=O)N2CCC[C@@H]2CN=[N+]=[N-])C1 2067584255 RTIWFIOGBUKEDH-NXEZZACHSA-N 253.306 0.618 10 10 CCCE NCC1CC(NS(=O)(=O)Cc2ccc(N)cc2)C1 2071689431 AOGUSCGVPXNTDG-UHFFFAOYSA-N 269.370 0.426 10 10 CCCE Nc1ccc(CS(=O)(=O)NC[C@@H](N)C2CC2)cc1 2071667210 HOEWLFGLBWBVPK-GFCCVEGCSA-N 269.370 0.426 10 10 CCCE C[C@H](NC(=O)[C@@H]1CCS1(=O)=O)c1ccccc1O 2072482409 SLXFSUPBQKODID-KWQFWETISA-N 269.322 0.757 10 10 CCCE CC1(C)OC[C@H](NC(=O)COc2ccc(N)cc2)[C@@H]1O 2199458600 UITKUNGQTQULNK-AAEUAGOBSA-N 280.324 0.302 10 10 CCCE C[C@H]1C[C@@]1(CNC(=O)c1cc(O)nc(O)c1)C(=O)O 2101181660 MMDBUMDDNGCZAW-QTTZVWFDSA-N 266.253 0.333 10 10 CCCE CC1(C)[C@@H](O)CN1C(=O)Cc1ccc(O)c(O)c1 2081488076 OPWUPXBBECOJGI-NSHDSACASA-N 251.282 0.622 10 10 CCCE Cc1cccc(O)c1CN1CCO[C@H]2[C@@H]1[C@H]2C(=O)O 2104508821 HUIOPZRKTSJARJ-FRRDWIJNSA-N 263.293 0.984 10 10 CCCE CNC(=O)[C@@H]1[C@@H](C)CCN1Cc1cc(N)ccc1O 2090259334 PJRRWFFJYSGJSQ-ZANVPECISA-N 263.341 0.931 10 10 CCCE CN[C@H](c1ccccc1O)[C@@H](O)[C@]1(OC)CCOC1 2095093685 RRTCLBKQSGYJFY-MCIONIFRSA-N 267.325 0.819 10 10 CCCE CC(C)(O)C1CN(CC(=O)c2ccc(O)c(O)c2)C1 2095957035 DBABNLDIDAXODT-UHFFFAOYSA-N 265.309 0.983 10 10 CCCE Nc1ccc(NC(=O)CCN2C[C@H]3C[C@H]2[C@@H]3CO)cc1 2203128021 GFDPKFCVPVVQDU-HONMWMINSA-N 275.352 0.910 10 10 CCCE COc1cc(N2[C@H]3CC[C@H]2[C@H](O)[C@H](O)C3)ccc1CN 2204556145 CACRDGDTVWYERV-DNVSUFBTSA-N 278.352 0.617 10 10 CCCE Nc1ccc(OCC(=O)N2CC(OCCCO)C2)cc1 2206952192 AYWQULHOYKWBQV-UHFFFAOYSA-N 280.324 0.257 10 10 CCCE Cc1cc([C@@H](C)O)ccc1N1CC[C@](O)(C(N)=O)C1 2232091363 GHFLEYKAUSYCGN-QMTHXVAHSA-N 264.325 0.475 10 10 CCCE CN(CCCN=[N+]=[N-])C(=O)[C@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 2234171570 MXXLRGNJKYUFJV-IMSYWVGJSA-N 280.284 0.799 10 10 CCCE CCNCc1cc(OC)ccc1N1C[C@H](O)C[C@@H]1CO 2235964014 VDNYIYGPAFYEPA-CHWSQXEVSA-N 280.368 0.737 10 10 CCCE CN1CCc2cc(N3CC[C@H](O)[C@H](CO)C3)ccc21 2226805703 KNVAQLYMAXRZCZ-WFASDCNBSA-N 262.353 0.858 10 10 CCCE N[C@H]1[C@H]2C[C@@H](CN(Cc3ccc(O)c(O)c3)C2)[C@H]1CO 2239355220 WKMOQVDKWVTLMM-OHTBPHCPSA-N 278.352 0.485 10 10 CCCE CCC(CO)(CO)C(=O)N1CCC[C@@H](N=[N+]=[N-])C1 2253577705 JKVFPIKJBWZNNU-SECBINFHSA-N 256.306 0.669 10 10 CCCE CSc1ncc(CNC(=O)C2CC(O)(CN)C2)s1 2256939579 GNHXGQLVVYOUFS-UHFFFAOYSA-N 287.410 0.581 10 10 CCCE Cc1cc(N2CC[C@](O)(CO)C2)ccc1[C@@H](C)N 2257463440 BHZOAWCYNICCKO-BXUZGUMPSA-N 250.342 0.948 10 10 CCCE CC1(CS(=O)(=O)Nc2ccc(O)c(N)c2)COC1 2259033992 VUZGZBLYSBBXSU-UHFFFAOYSA-N 272.326 0.753 10 10 CCCE Cc1cc(N2C[C@H]3C(=O)NC(=O)[C@@H]3C2)ccc1[C@H](C)N 2285253071 JAPWYEMQVCCMLF-ZWKOPEQDSA-N 273.336 0.724 10 10 CCCE C[S@@](=O)C1CN(Cc2ccc(N3CCNCC3)cc2)C1 2286067637 CZMXFECZOMHHAK-HXUWFJFHSA-N 293.436 0.659 10 10 CCCE COCCN(C[C@H](C)O)c1ccc2c(c1)NC(=O)[C@H]2N 2288053086 CCSIDKXOVQWMSC-ZANVPECISA-N 279.340 0.472 10 10 CCCE C[C@@H](N[C@@H]1CN(C)C[C@H]1O)c1c(O)cccc1O 2296842423 QSNQBKJHGQSVOT-KBVBSXBZSA-N 252.314 0.423 10 10 CCCE CN(CCCN=[N+]=[N-])C(=O)[C@@H](C1CC1)S(C)(=O)=O 2314353186 KORHWAPBWNDFRB-SECBINFHSA-N 274.346 0.968 10 10 CCCE Cc1cc(N2C[C@@H](O)[C@@H](O)[C@@H]2CF)ccc1[C@H](C)N 2334467796 BUNFFGMYYDJJNS-WTDIUWLJSA-N 268.332 0.895 10 10 CCCE COc1cc(N2C[C@H]3CS(=O)(=O)[C@@H]3C2)ccc1CN 2336551100 LYVIQTLJYCCLIN-GXFFZTMASA-N 282.365 0.387 10 10 CCCE CN1CCN(C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)CC1=O 2343690090 IFVAUYMAGKTGRC-SECBINFHSA-N 266.305 0.655 10 10 CCCE CN(C)c1ccc(/C=C\C(=O)NCCOCCO)cc1 214738678 BKTPJBVIUSMPBM-YVMONPNESA-N 278.352 0.891 10 10 CCCE COCC[C@@](C)(O)CNCc1ccc(O)cc1O 227216690 XCMYSQUHXPBQEU-CYBMUJFWSA-N 255.314 0.975 10 10 CCCE CC(C)CNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 40457797 ZCNWMOAWHPSFDD-JTQLQIEISA-N 252.314 0.740 10 10 CCCE CN(CCCN=[N+]=[N-])[C@H]1CCN(S(C)(=O)=O)C1 383904360 NZZBGOLOCGDMIB-VIFPVBQESA-N 261.351 0.653 10 10 CCCE CN(Cc1ccccc1O)[C@H]1COC[C@@H]1C(=O)O 90426042 XWYHQDAGYMHKHR-QWRGUYRKSA-N 251.282 0.924 10 10 CCCE Cc1ccc(C(=O)N2CC(=O)N(C)[C@H](C)C2)c(O)c1O 282404542 PHPREDCRFGAKJS-SECBINFHSA-N 278.308 0.709 10 10 CCCE O=C1N[C@H](C(=O)NCc2c(O)ccc3c2CCCC3)CO1 283660623 DLEDOJSSVOBODZ-LBPRGKRZSA-N 290.319 0.996 10 10 CCCE CC(=O)C(=O)COC(=O)Cn1ccc(C(F)(F)F)n1 808494982 UIZIZSRJZAUQIV-UHFFFAOYSA-N 278.186 0.603 10 10 CCCE COc1cccc(CN(C[C@@H](O)CO)C(C)C)c1O 817417835 RYRCSQQNOTUXTL-GFCCVEGCSA-N 269.341 0.964 10 10 CCCE Cc1ccc(C(=O)NCC[C@]2(O)CCOC2)c(O)c1O 846451647 MOXWXLBZWYKTQL-AWEZNQCLSA-N 281.308 0.678 10 10 CCCE CCN(C)S(=O)(=O)NCc1c(O)cccc1F 921452405 OCWBYEIWVVSMLR-UHFFFAOYSA-N 262.306 0.817 10 10 CCCE O=C(NCc1c(O)cccc1F)C1CN([C@H]2CCOC2)C1 928709252 CEHBFVVEGMAZKH-NSHDSACASA-N 294.326 0.868 10 10 CCCE C[C@H](N)c1nc(=NC(=O)Nc2ccc(N)cc2)[nH][nH]1 1876150986 YBXREOOBDONDOA-LURJTMIESA-N 261.289 0.473 10 10 CCCE C[C@H]1CNC[C@@H]1CNS(=O)(=O)Cc1ccc(N)cc1 1876410587 FOWHLHJHZUZMTM-CMPLNLGQSA-N 283.397 0.544 10 10 CCCE CN(CCOCCN)C(=O)COc1ccc(N)cc1 1876472769 DWPORVCUROZEQB-UHFFFAOYSA-N 267.329 0.081 10 10 CCCE C[C@@H]1CNCC[C@@H]1NC(=O)COc1ccc(N)cc1 1876519601 AWAANERBGXIWBF-MFKMUULPSA-N 263.341 0.762 10 10 CCCE CO[C@]1(C(=O)N[C@H](C)c2ccccc2O)CCNC1 1877584101 ANBNVFYSHYJYNZ-QMTHXVAHSA-N 264.325 0.948 10 10 CCCE Nc1ccc(OCC(=O)N[C@@]23CCOC[C@H]2C3)cc1 1880136505 DTFWFRMGSMQBRF-QMTHXVAHSA-N 262.309 0.943 10 10 CCCE CSc1ncc(CNCC2=C[C@@H](O)[C@H](N)C2)s1 2248744664 SXYVJLLRVKAIJW-NXEZZACHSA-N 271.411 0.973 10 10 CCCE COc1cc(C(=O)C(=O)C(=O)O)c(OC)cc1C 77434166 QXFWLYYMFXUFIZ-UHFFFAOYSA-N 252.222 0.849 10 10 CCCE CN1CC[C@](O)(CC(=O)O)c2cc3c(cc21)OCO3 84802005 LINXLZPDESZCRA-ZDUSSCGKSA-N 265.265 0.918 10 10 CCCE NC(=O)[C@@H]1CCCC[C@H]1NC(=O)Cc1ccc(O)c(O)c1 1294146915 OKSVSTAUEKFDCU-GHMZBOCLSA-N 292.335 0.801 10 10 CCCE CC(C)Oc1ccc(N2CCNC(=O)[C@H]2CO)cc1 217090420 MYPUKSGDQKCWGP-CYBMUJFWSA-N 264.325 0.771 10 10 CCCE O=C1CC(S(=O)(=O)Nc2ccc(O)cc2C(=O)O)C1 2116718666 DEAUCZPFVLHPIR-UHFFFAOYSA-N 285.277 0.564 10 10 CCCE C[C@H]1COCC(=O)N1CC(=O)Nc1ccc(N)cc1 2117491732 ROQCNFJUPSDIAJ-VIFPVBQESA-N 263.297 0.455 10 10 CCCE CC(=O)C[C@@H]1COCCN1C(=O)Cc1ccc(O)c(O)c1 1296291248 JNFGZVJGODMNOI-GFCCVEGCSA-N 293.319 0.847 10 10 CCCE 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CCn1c(C)nnc1Cn1ccc2c(c1=O)CNCC2 2150796838 CICMKDRWBQSDAM-UHFFFAOYSA-N 273.340 0.462 10 10 CCCE CNCc1ccc(N2CCOC[C@H]2[C@H](O)CO)c(F)c1 2146334422 NCAPAIHHMSDNAK-UONOGXRCSA-N 284.331 0.104 10 10 CCCE CN(Cc1ccccc1O)C(=O)C1=NNC(=O)CC1 37842148 RZSBOVGDODZZDO-UHFFFAOYSA-N 261.281 0.617 10 10 CCCE C[C@@H]1C[C@@H](CO)CN1C(=O)c1ccc(O)c(O)c1 2038880043 LLNBYNWCIFREMJ-RKDXNWHRSA-N 251.282 0.941 10 10 CCCE NOCCCC(=O)NCCc1ccc(O)c(O)c1 2039468431 OHYIITDEGLOPQQ-UHFFFAOYSA-N 254.286 0.427 10 10 CCCE NC[C@H](NC(=O)c1cccc(O)c1O)C(F)(F)F 401775305 MIQONXVADQRCAF-ZETCQYMHSA-N 264.203 0.717 10 10 CCCE C[C@H](N)c1ccc(N2CCN3C[C@@H](O)C[C@H]3C2)cc1O 405439463 DHRJEMDTLZVTRS-DRZSPHRISA-N 277.368 0.667 10 10 CCCE O=c1c2c(ccn1C[C@H]1CC[C@@H](CO)CO1)CCNC2 2159017904 CUAQZMZSWDITQC-WCQYABFASA-N 278.352 0.282 10 10 CCCE O=C1CC[C@@H](CNCc2cc3c(cc2O)OCO3)N1 79927032 UXPXECUBTTVNBE-VIFPVBQESA-N 264.281 0.489 10 10 CCCE CCOC(=O)C(=O)NCc1ccc(N(C)C)cc1 82258222 NXWPUEISQCZXBB-UHFFFAOYSA-N 250.298 0.932 10 10 CCCE CCOC1(CO)CN(c2ccc([N+](=O)[O-])c(CO)c2)C1 2172999355 IYYXGMAXROBGTD-UHFFFAOYSA-N 282.296 0.675 10 10 CCCE Cn1cc([C@H](NCCN=[N+]=[N-])C(N)=O)c(C(F)(F)F)n1 2178743418 NIDKQVOVZUWHAD-LURJTMIESA-N 291.237 0.865 10 10 CCCE C[C@H](NCCc1nc(=O)o[nH]1)c1c(O)cccc1O 392181698 CFKJVOPRJIRBPB-ZETCQYMHSA-N 265.269 0.667 10 10 CCCE CS(=O)(=O)[C@H]1C[C@H](NCc2ccc(O)c(O)c2)C1 714246675 AYFOWJPVBVKMHT-MGCOHNPYSA-N 271.338 0.763 10 10 CCCE CN1CC[C@@](C)(NC(=O)COc2ccc(N)cc2)C1 716364869 NWOUCYKKURZYJV-CQSZACIVSA-N 263.341 0.858 10 10 CCCE Oc1cccc2c1[C@@H](NC[C@@H]1CN3CCN1CC3)CC2 394803463 NBRRJSYRJTXBGF-KGLIPLIRSA-N 273.380 0.969 10 10 CCCE CC(=O)NCCCNC(=O)[C@@H]1CNc2ccccc2N1 394866959 PUNLEXYJZJBCQY-ZDUSSCGKSA-N 276.340 0.535 10 10 CCCE CN(C)c1ccc([C@@H](NN)[C@@H]2[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 2174584545 VHDNRCVZAPOUPQ-XJFOESAGSA-N 295.408 0.548 10 10 CCCE CC[C@@H]1CN(C(=O)c2cccc(O)c2O)C[C@@H]1N 399974417 KDYHNEWQUUXPIN-SCZZXKLOSA-N 250.298 0.907 10 10 CCCE COC1(CF)CN(c2cc3c(cc2F)[C@@H](O)C(=O)N3)C1 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O=S(=O)(NCCNCc1cccc(O)c1O)C1CC1 2102331853 AFINXMVARQJLMZ-UHFFFAOYSA-N 286.353 0.269 10 10 CCCE Cc1cccc(CNC(=O)[C@H](ON)C2CC2)c1O 2084058909 MGUIUYPTUJTBMZ-GFCCVEGCSA-N 250.298 0.986 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1C[C@H]2CNC[C@H]1C2 2104397285 JOGKJVUXPGNYNW-GHMZBOCLSA-N 262.309 0.461 10 10 CCCE CS(=O)(=O)N[C@@H]1CCN(Cc2c(O)cccc2F)C1 2104479616 JEJLYLZMJURPDT-SECBINFHSA-N 288.344 0.655 10 10 CCCE O=C(NCc1cc(=O)cc[nH]1)c1ccc(O)c(O)c1 2088350785 MLQWWMLPNKLTGH-UHFFFAOYSA-N 260.249 0.716 10 10 CCCE [N-]=[N+]=N[C@@H]1CCN(C(=O)[C@@H]2CCn3ncnc3C2)C1 2108980813 ZCOHBJSZHWKCJT-RKDXNWHRSA-N 261.289 0.752 10 10 CCCE CC(C)(C)n1nnc([C@@H](NN)c2ccccc2O)n1 2090043093 RIRVPMQDFAVDCO-JTQLQIEISA-N 262.317 0.686 10 10 CCCE Cc1cc(N2CCOC[C@@H]2[C@H](O)CO)ccc1CN 2090135900 LCNHJVJVRSKLIT-ZIAGYGMSSA-N 266.341 0.012 10 10 CCCE Nc1cc(C(=O)NCCc2ccc(O)c(O)c2)no1 2091747869 NHPBHJRLHFAGHK-UHFFFAOYSA-N 263.253 0.641 10 10 CCCE Cc1cn(CCNC(=O)Cc2ccc(N)cc2)nn1 2094301438 NMGROVYVHIGBHV-UHFFFAOYSA-N 259.313 0.528 10 10 CCCE C[C@H](CC(N)=O)N(C)c1ccc2c(c1)NC(=O)[C@H]2N 2094988388 DCAAVHZNIMSYIJ-KRTXAFLBSA-N 262.313 0.339 10 10 CCCE Nc1ccc(CC(=O)N2C[C@@H](F)C[C@H]2C(=O)O)cc1 2095587840 AJPQOIFODFWXDA-ONGXEEELSA-N 266.272 0.835 10 10 CCCE COc1ccc(N(C)CC[S@](C)=O)c(CN)c1 2214847447 SQJUATMEVYZMEM-KRWDZBQOSA-N 256.371 0.969 10 10 CCCE Nc1ccc(OC[C@H](O)CO[C@H]2C=CCOC2)cc1 2270219567 BMPRXOGLNILEJN-JSGCOSHPSA-N 265.309 0.980 10 10 CCCE [N-]=[N+]=NCCNC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 2218736347 XWCXGNCYXRXMPC-RBXMUDONSA-N 250.258 0.936 10 10 CCCE Nc1cc(NS(=O)(=O)C2CCOCC2)ccc1O 2220565120 NRKXUNSYDGLYRG-UHFFFAOYSA-N 272.326 0.895 10 10 CCCE CNCc1ccc(N2C[C@H]3COC[C@@]3(CO)C2)c(F)c1 2234550723 FSGUOBMSQBVGRC-WFASDCNBSA-N 280.343 0.990 10 10 CCCE COc1cc(C(=O)N[C@H]2CNC[C@H](F)C2)cc(OC)n1 2234658172 QCWOAOVFNAIXJB-NXEZZACHSA-N 283.303 0.529 10 10 CCCE OC[C@@]1(O)CCN(c2ccc(OC3CC3)cc2)C[C@@H]1O 2235098932 LTLRCIAZMPSOQW-GJZGRUSLSA-N 279.336 0.522 10 10 CCCE COc1ccc(N2CCC[C@@H](CO)[C@H]2CO)c(CN)c1 2235961342 YLLFNXKXKXEFEP-XHDPSFHLSA-N 280.368 0.724 10 10 CCCE COc1ccc(N2CC(N3CCOCC3)C2)c(CN)c1 2235973825 IQGPWIFGCVOKRX-UHFFFAOYSA-N 277.368 0.675 10 10 CCCE COC[C@@H]1[C@@H](O)[C@@H](O)CN1c1ccc(OC)c(C)c1 2226862848 YWYVSKJHUGKMPY-MBNYWOFBSA-N 267.325 0.560 10 10 CCCE COc1ccc(N2C[C@H]3C[C@H]2CS3(=O)=O)c(C=O)c1 2227687280 CKKPOHGZYKAYCQ-CMPLNLGQSA-N 281.333 0.883 10 10 CCCE COc1ccc(N(C)[C@H]2CC(=O)NC2=O)c(C=O)c1 2227707153 UHQAXYULFJTPQB-NSHDSACASA-N 262.265 0.359 10 10 CCCE COc1ccc(N(C)[C@@H]2CS(=O)(=O)C[C@H]2N)cc1 2253396187 DWHQCFYJBKIGHP-VXGBXAGGSA-N 270.354 0.256 10 10 CCCE Cc1cc(N2CC[C@@H]2[C@H](O)CO)ccc1[C@@H](C)O 2258309270 SEALQGJVCWFXNS-LERXQTSPSA-N 251.326 0.980 10 10 CCCE C[C@H](N)c1ccc(N2CC[C@H]2[C@@H](O)CO)cc1O 2258346508 RMJDYRCVCTZTEF-QWRKXWFKSA-N 252.314 0.344 10 10 CCCE CSc1ncc(CN=c2ccnc(NN)[nH]2)s1 2248737607 ASLNADVTQBKMJX-UHFFFAOYSA-N 268.371 0.975 10 10 CCCE COCCN(CC(=O)c1ccc(O)c(O)c1)C[C@@H](C)O 2288026802 WNXSJWFJKGBGEK-SNVBAGLBSA-N 283.324 0.610 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CCn2nncc2C1 1148587405 IEIIQYRCMAJSFE-UHFFFAOYSA-N 276.252 0.051 10 10 CCCE [N-]=[N+]=NCCN[C@]1(C(N)=O)C[C@@H]2[C@@H]1[C@@H]1CC[C@H]2O1 2310684642 OWSDAKFIZAGYQW-KSFAHDSMSA-N 251.290 0.308 10 10 CCCE Oc1cccc(CN[C@H]2CCC[C@@H](O)[C@H]2O)c1O 2312193928 DEFDOOJLMGOOES-NDMJEZRESA-N 253.298 0.462 10 10 CCCE C[C@@H](CN)C(=O)N1CCc2cc(O)c(O)cc2C1 2318659698 HGIYZUORDQBIPI-QMMMGPOBSA-N 250.298 0.577 10 10 CCCE Nc1ccc(OCC(=O)NC[C@H]2[C@@H]3CCO[C@@H]32)cc1 2330703882 ZDJAZFSHAHIRMO-OBJOEFQTSA-N 262.309 0.799 10 10 CCCE COc1cc(N2C[C@@H]3[C@H](C2)CS3(=O)=O)ccc1CO 2336353183 WPYCNSWNQIHDRK-ZWNOBZJWSA-N 283.349 0.421 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3CCOC[C@H](F)C3)ccc21 2336664427 AFRZZOLVTYNXHU-PRHODGIISA-N 265.288 0.813 10 10 CCCE CCN(CCN=[N+]=[N-])CCS(=O)(=O)N1CCOCC1 2337776717 OBDCIRFXMXVWEH-UHFFFAOYSA-N 291.377 0.281 10 10 CCCE CS(=O)(=O)[C@H]1CC[C@@H]1NC(=O)c1cccc(O)c1O 2342670901 NAHUQEQJQTYNEI-WPRPVWTQSA-N 285.321 0.403 10 10 CCCE COc1ccc(N2CC(O)(CN(C)C)C2)c(OC)c1 2343628151 IZUVLBOQXZRAEQ-UHFFFAOYSA-N 266.341 0.817 10 10 CCCE O=C([C@H]1CNc2ccccc2N1)N1C[C@@H](F)[C@H](CO)C1 2355615381 XGMFRXYLXNDODE-OPQQBVKSSA-N 279.315 0.681 10 10 CCCE N[C@H](C(=O)O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1 107943488 DMBFVRUHLQEDKH-RNCFNFMXSA-N 278.308 0.696 10 10 CCCE CN1C(=O)C(=Cc2cnn3ccccc23)C(=O)N(C)C1=O 171735730 MPTVKYNCFSYLTB-UHFFFAOYSA-N 284.275 0.768 10 10 CCCE CN(Cc1cc(N)ccc1O)[C@H]1CCS(=O)(=O)C1 36869335 NYCKMYRSFFWTPK-NSHDSACASA-N 270.354 0.593 10 10 CCCE C[C@H]1CN(C(=O)c2ccc(O)c(O)c2)CC[C@H]1N 235651557 VPVAGKXSSTZYEE-WCBMZHEXSA-N 250.298 0.907 10 10 CCCE CN(C)c1ccc(/C=C\C(=O)NC[C@@H](O)C(=O)O)cc1 218123158 JRXFGNQAUMMHIM-VVEJJEBESA-N 278.308 0.328 10 10 CCCE O=C(NCC1CC1)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 40531992 DCYRGSLGPRWANP-JTQLQIEISA-N 294.307 0.803 10 10 CCCE [N-]=[N+]=N[C@@H]1CO[C@H](OCc2ccccc2)[C@H](O)[C@@H]1N 196479880 XLIKUFDISLYEQN-KKOKHZNYSA-N 264.285 0.927 10 10 CCCE O=C(N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O)C(F)F 236451011 VXJHQZDWUKEQHE-LURJTMIESA-N 275.207 0.475 10 10 CCCE CC(=O)C(=O)COC(=O)[C@H]1CN(C)C(=O)c2ccccc21 808545896 SFIIGXJKRHLKCX-LBPRGKRZSA-N 289.287 0.557 10 10 CCCE C/C(=C\CNC(=O)c1ccc(O)c(O)c1)C(=O)O 701334725 LBKGXEOKRGDADF-QPJJXVBHSA-N 251.238 0.859 10 10 CCCE CCCN[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)C1 721635094 XIVYMPJLOWETAT-JTQLQIEISA-N 265.313 0.707 10 10 CCCE CNC(=O)[C@H]1COCCN1c1ccc([C@H](C)NC)cc1 723182110 HUNJUEPKOMMGJU-SMDDNHRTSA-N 277.368 0.918 10 10 CCCE Cn1cnc(CCCNCc2cc3c(cc2O)OCO3)n1 842736348 BKROSZNOZZCSKU-UHFFFAOYSA-N 290.323 0.972 10 10 CCCE Cn1nccc1[C@@H](CO)NC(=O)c1cc(O)cs1 854913350 USEGGTQHYKQHQW-MRVPVSSYSA-N 267.310 0.651 10 10 CCCE CC(=O)N1CC[C@@H](CNC(=O)c2c(F)ccc(O)c2O)C1 857259918 NBFNHWPJRIHKHL-VIFPVBQESA-N 296.298 0.835 10 10 CCCE CN1CCOC[C@H]1CNC(=O)c1c(F)ccc(O)c1O 863939594 DXELVCAXHWHTHJ-MRVPVSSYSA-N 284.287 0.297 10 10 CCCE CCOC(=O)CC(C)(C)CC(=O)C(=O)C[C@@H]1CC(=O)N1 935945542 BJFMUERKBORXSV-SECBINFHSA-N 283.324 0.773 10 10 CCCE CC1(C)CNC[C@H]1NS(=O)(=O)Cc1ccc(N)cc1 1876404287 UPGNYBGWCKOMCU-GFCCVEGCSA-N 283.397 0.686 10 10 CCCE Oc1ccc2c(c1O)CCN[C@H]2[C@@H]1C[C@@H](O)CN1 75793665 LJLCQBKYFNSLDS-INNHCVQGSA-N 250.298 0.007 10 10 CCCE Cc1ccc(CNC(=O)[C@H](N)CC(=O)O)c(O)c1 83391462 CWWJRFGYKONUCG-SECBINFHSA-N 252.270 0.119 10 10 CCCE COc1ccc(CNC(=O)CC2CS(=O)(=O)C2)c(O)c1 1329493276 ZHOKGNIRTJNZQW-UHFFFAOYSA-N 299.348 0.452 10 10 CCCE COCCNCc1ccc(N(C)[C@@H]2COC[C@H]2O)cc1 708075805 PJGPRYQNQLXQTG-HUUCEWRRSA-N 280.368 0.619 10 10 CCCE C[C@@H]1[C@@H](NC(=O)c2cc(O)nc(O)c2)C[C@H]2CC[C@H]1N2 709302081 PBZDYUWQVHASPD-IANFPDNMSA-N 277.324 0.752 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N3CC([C@H](C)O)C3)ccc21 719753831 ODCCGTOFQKHFGC-ISVAXAHUSA-N 261.325 0.716 10 10 CCCE C[C@](O)(CNC(=O)c1cccc(O)c1O)C(F)F 698602365 SBMUWSNLWRQDMW-NSHDSACASA-N 261.224 0.844 10 10 CCCE CN(C)c1ccc(/C=C/CN[C@@H](CO)C(=O)O)cc1 1332032148 JKWZQZCYZQXYEG-OOPCZODUSA-N 264.325 0.801 10 10 CCCE CCN[C@@H](C)c1ccc(N2CC(=O)NC(=O)C2)c(F)c1 97268932 HOPHYVBFLMXTNA-VIFPVBQESA-N 279.315 0.959 10 10 CCCE COc1ccc(CN[C@H]2CCO[C@H]2C(N)=O)cc1C 2117464252 XAROGKKIZUJZEH-WCQYABFASA-N 264.325 0.736 10 10 CCCE CN1CCN(c2ccc3c(c2)OCO3)[C@H](CO)C1 214569051 UDNVQBUGYNQYNJ-NSHDSACASA-N 250.298 0.528 10 10 CCCE O[C@H]1CNCCN(c2ccc3c(c2)OCCO3)C1 214572504 XZKKCFBYVGQYSF-NSHDSACASA-N 250.298 0.228 10 10 CCCE C[C@H](CS(=O)(=O)N(C)Cc1ccc(N)cc1)C(=O)O 2127084211 AVXKCXFRACCXJO-SECBINFHSA-N 286.353 0.751 10 10 CCCE Nc1ccc(CCNC(=O)[C@@H]2CO[C@@H]3COC[C@H]32)cc1 1966886497 HZLIEQHGOGMERK-BFHYXJOUSA-N 276.336 0.589 10 10 CCCE NC(=O)N[C@H]1CCN(c2ccc3c(c2)CC[C@H]3N)C1 2128329410 UZUDCFKDLPCBBJ-GXFFZTMASA-N 260.341 0.880 10 10 CCCE C[C@H]1CN(c2ccc(CO)c([N+](=O)[O-])c2)CC(=O)N1 2132058902 RTFNNLSPYFRYMN-QMMMGPOBSA-N 265.269 0.412 10 10 CCCE CCN(CC(=N)NO)C(=O)c1cc(O)c(O)c(O)c1 2132402179 XNSVMKXMENMOCB-UHFFFAOYSA-N 269.257 0.222 10 10 CCCE Nc1ccc(-n2nnc(C(=O)N3CCC(=O)CC3)n2)cc1 1857879219 ZEXOKEYCRYAHEW-UHFFFAOYSA-N 286.295 0.050 10 10 CCCE CCN(CC)C(=O)c1nnn(-c2ccc(N)cc2)n1 1857878904 NPTCJRHIIALREN-UHFFFAOYSA-N 260.301 0.727 10 10 CCCE CN(C)c1ccc(CNC(=O)C[C@H](N)C(=O)O)cc1 1913929885 MEPRWBGOPJSZSG-NSHDSACASA-N 265.313 0.171 10 10 CCCE Nc1ccc(NC(=O)N2C[C@H](O)[C@@H](O)[C@@H]2CF)cc1 2140653808 ILVUWOIOHYEUID-DCAQKATOSA-N 269.276 0.176 10 10 CCCE CCN(CCN=[N+]=[N-])S(=O)(=O)C1CC2(C1)OCCO2 1900609315 MDSMUKGAISNMQX-UHFFFAOYSA-N 290.345 0.854 10 10 CCCE COCC1CN(C[C@@H](O)COc2ccc(N)cc2)C1 1916850466 LWWQZPQOSYQWQJ-CYBMUJFWSA-N 266.341 0.587 10 10 CCCE CN(C)[C@@H]1COC[C@H]1CNCc1ccc(O)c(O)c1 1924653498 QZTHDLRIJXITBX-VXGBXAGGSA-N 266.341 0.764 10 10 CCCE COc1cc(N2CCC[C@@H]2[C@@H](O)CO)ccc1CO 2139704358 KKYNUGQDPUTOII-OLZOCXBDSA-N 267.325 0.510 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC2(CC2)CO1 2149539899 XOOTUXGHLAHUPD-JTQLQIEISA-N 278.308 0.522 10 10 CCCE Nc1ccc(O)c(CNC(=O)c2c[nH]ccc2=O)c1 236365484 KRRIMYIIWGPSTN-UHFFFAOYSA-N 259.265 0.593 10 10 CCCE CN(CC(F)(F)CO)c1ccc2c(c1)N(C)C(=O)[C@@H]2N 2150990091 OADHDCZMKHLIEQ-LLVKDONJSA-N 285.294 0.727 10 10 CCCE CCOC(=O)[C@H](N)[C@@H](OC)c1cc(O)nc(O)c1 1952776223 SVYUUOMSMLPXGC-ZJUUUORDSA-N 256.258 0.071 10 10 CCCE C[C@@H]1CN(c2cc3c(cc2N)OCC(=O)N3)CC[C@H]1O 253179585 HUWJJUROWRDBEQ-PRHODGIISA-N 277.324 0.807 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 2145080385 UHMDSDKOHLRFHQ-JOYOIKCWSA-N 297.332 0.357 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@H](O)[C@H](C3CC3)C2)cc1 2146825718 JBILZZXULRUIFC-KBPBESRZSA-N 296.392 0.801 10 10 CCCE CC(C)(C(=O)O)n1nnnc1C1=S=Nc2ccccc21 2159965788 VTHKLESNMSXUCT-UHFFFAOYSA-N 289.320 0.973 10 10 CCCE COc1cccc(CN[C@@H]2COC[C@H]2CO)c1O 2029843899 IXSOIMRBKCGOMD-GHMZBOCLSA-N 253.298 0.498 10 10 CCCE CCc1cccc(CN[C@@H]2CN(C)C[C@@H]2O)c1O 2029871630 WGRKYHFKUIPZHC-OLZOCXBDSA-N 250.342 0.719 10 10 CCCE COCCN1CC[C@@H](NC(=O)c2ccc(O)c(O)c2)C1 2160030122 GUZCOHCPLFEONX-LLVKDONJSA-N 280.324 0.548 10 10 CCCE C[C@]1(O)CON(C(=O)CCc2ccc(N)cc2)C1 2032464614 VKKXULXCYRTDQX-CYBMUJFWSA-N 250.298 0.726 10 10 CCCE CN(C)[C@@H]1CCN(CC(=O)Nc2ccc(N)cc2)C1 62963731 KEQAFZZHOQUCJQ-CYBMUJFWSA-N 262.357 0.843 10 10 CCCE Cc1cc(CO)ccc1N1CCOC[C@H](CO)C1 2036963096 FDHYDQWNSNWPDF-ZDUSSCGKSA-N 251.326 0.932 10 10 CCCE COC[C@](O)(CO)CN[C@@H](C)c1ccccc1O 2040784244 YZGXKQUWQLGBJY-GXFFZTMASA-N 255.314 0.413 10 10 CCCE C[C@H]1C[C@H](O)CN(C(=O)c2cccc(O)c2O)C1 401572438 FXFJJOUOGKKVHJ-IUCAKERBSA-N 251.282 0.941 10 10 CCCE COc1ccc(CN(C)CCNC(C)=O)c(O)c1 308309544 QHPLCJPZVZZGAI-UHFFFAOYSA-N 252.314 0.969 10 10 CCCE CO[C@@]1(CO)CCN(c2ccc(CN)c(F)c2)C1 402885422 CBXOYJGRJYNYED-ZDUSSCGKSA-N 254.305 0.872 10 10 CCCE C[C@@H](CC(=O)N(C)C)NC(=O)c1cccc(O)c1O 311852037 ITONLUVFEBJHHY-QMMMGPOBSA-N 266.297 0.694 10 10 CCCE O[C@@H]1CN(C2CC2)C[C@H]1NCc1ccc2c(c1)CCO2 2160557672 XYDWPMNNBZDJLD-HUUCEWRRSA-N 274.364 0.919 10 10 CCCE CCN=c1cc(-c2ccn(C)c(=O)c2)c2nccn2[nH]1 2158816551 QUEZWRJTNBWJSZ-UHFFFAOYSA-N 269.308 0.949 10 10 CCCE COC(=O)[C@H](NC=O)[C@](C)(O)c1ccc(N(C)C)cc1 2178351545 GSJMAIATBRDBAZ-GXTWGEPZSA-N 280.324 0.248 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N(CCO)CC3CC3)cc21 688384715 OOHFCRHVVLRAAY-CQSZACIVSA-N 275.352 0.872 10 10 CCCE C[C@@H](NCCn1ncnn1)c1ccc(F)cc1O 380098093 WOYOYYXRZOAUBQ-MRVPVSSYSA-N 251.265 0.869 10 10 CCCE C[C@H](NS(=O)(=O)Cc1ccc(N)cc1)c1nc(O)n[nH]1 392438728 WKKQSKKEGJXDBY-ZETCQYMHSA-N 297.340 0.273 10 10 CCCE C[C@]1(CO)CCN(S(=O)(=O)Cc2ccc(N)cc2)C1 381220827 QFTARNMPJILAKD-ZDUSSCGKSA-N 284.381 0.803 10 10 CCCE C[C@H](C(=O)Nc1ccc(N)cc1)N1CC(CC(N)=O)C1 382116092 SWTDTYSCLRZFGJ-SECBINFHSA-N 276.340 0.403 10 10 CCCE C[C@H]1[C@H](CO)CCN1C(=O)c1cc(O)nc(O)c1 385865880 IFSFBWBRKIOQHD-YUMQZZPRSA-N 252.270 0.336 10 10 CCCE CCC(=O)NCCNC(=O)CCOc1ccc(N)cc1 392960169 AOKNWQVMLUBMGW-UHFFFAOYSA-N 279.340 0.680 10 10 CCCE CO[C@]1(CNCc2cccc(C)c2O)CCS(=O)(=O)C1 721219881 RAJAZCDXZWPROA-AWEZNQCLSA-N 299.392 0.994 10 10 CCCE O=C(NC1CN([C@H]2CCOC2)C1)c1ccc(O)c(O)c1 2169251375 PELJTUXMBNDGPK-NSHDSACASA-N 278.308 0.301 10 10 CCCE CCN(C)C1CN(CC(=O)N(C)c2ccc(N)cc2)C1 2169447985 ZGGAUKVWNRQBBE-UHFFFAOYSA-N 276.384 0.868 10 10 CCCE COc1ccc(N2C[C@H](O)[C@H](O)C2(C)C)c([N+](=O)[O-])c1 2181216459 UUVNOMGVZNUABU-RYUDHWBXSA-N 282.296 0.924 10 10 CCCE COC[C@@](C)(CCO)NC(=O)c1cc(O)c(O)c(O)c1 2188875750 UEYSFSANAJWWIK-CYBMUJFWSA-N 285.296 0.321 10 10 CCCE O=C(N[C@H]1CCCCNC1=O)c1cc(O)c(O)c(O)c1 2188875945 WMSOUPMMNJGNPA-QMMMGPOBSA-N 280.280 0.202 10 10 CCCE CC[C@@H]1CCNC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2188926149 XPGDJEXIKUZVGK-SCZZXKLOSA-N 280.324 0.921 10 10 CCCE CN(C(=O)Cc1ccc(O)c(O)c1)[C@@H]1CCC(=O)NC1 2183452904 ZSZFPTJFIAQYIO-SNVBAGLBSA-N 278.308 0.377 10 10 CCCE Nc1ccc(OCCN2CC[C@H]3C[C@H]2[C@@H](O)[C@H]3O)cc1 2199531281 JFHHPGQCFNMJMG-FBUXBERBSA-N 278.352 0.464 10 10 CCCE COC(=O)C1(O)CN(c2ccc3c(c2)CCC[C@@H]3O)C1 2184688543 YUAJUJQUASZVKO-ZDUSSCGKSA-N 277.320 0.780 10 10 CCCE NC(=O)C1(O)CCN(c2ccc3c(c2)CC[C@H]3O)CC1 2184733199 FOJHRVYEMMJSPQ-CYBMUJFWSA-N 276.336 0.483 10 10 CCCE C[C@@H](N)c1ccc(N2CC([C@H]3NC(=O)NC3=O)C2)cc1 2184962457 MOPMMFOVIPURTI-PRHODGIISA-N 274.324 0.351 10 10 CCCE C[C@H](O)c1cc(F)c(N2C[C@H]3C[C@H]2[C@H](O)[C@@H]3O)c(F)c1 2194521730 YMTNTYSQOMLHOG-OWOHCXACSA-N 285.290 0.948 10 10 CCCE C[C@H](N)c1ccc(N2CC(NC(N)=O)C2)cc1O 2044811687 BYERERYEMGQAQL-ZETCQYMHSA-N 250.302 0.269 10 10 CCCE Nc1ccc(CS(=O)(=O)NC2([C@@H]3CCNC3)CC2)cc1 2191694754 GSSGSQJWVIGPTH-GFCCVEGCSA-N 295.408 0.830 10 10 CCCE Cn1ncc(CNC(=O)COc2ccc(N)cc2)c1N 2191744811 AKUOPIKEENFDSW-UHFFFAOYSA-N 275.312 0.280 10 10 CCCE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2NCc1ccc(O)c(O)c1 2054278916 UYEJLFQCSFCGOL-GDGBQDQQSA-N 269.322 0.230 10 10 CCCE C[C@H](C(=O)Nc1ccc(N)cc1)N1C[C@@H]2C[C@H]2[C@@H]1CO 2198995230 LCMAXAWBPIMARK-QOBDMFJFSA-N 275.352 0.908 10 10 CCCE CN(C)S(=O)(=O)c1nccn1-c1ccc(N)cc1 2058726567 XCCJGIRREJKVJX-UHFFFAOYSA-N 266.326 0.705 10 10 CCCE COC(=O)[C@@]1(NCCCN=[N+]=[N-])CO[C@H]2C[C@@H]1C2 2063104501 BHZLYKMFVASRTG-WCABBAIRSA-N 254.290 0.997 10 10 CCCE CNCc1ccc(N2CC[C@H](O)[C@@H](O)C2)cc1C 2068367787 ZKIZFZWJRYGNCR-KBPBESRZSA-N 250.342 0.646 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@H]2CCCNC2)cc1 2071665896 ORLBCDJUXDOSAB-LBPRGKRZSA-N 269.370 0.440 10 10 CCCE C[C@@H]1N2CCC(CC2)[C@@]1(NCCN=[N+]=[N-])C(N)=O 2072643074 FPRCJXKALDDDST-GZMMTYOYSA-N 252.322 0.225 10 10 CCCE COc1cccc(O)c1CNC[C@@H]1CN(C)CCO1 2104439720 SRHNZCBICOASLN-LLVKDONJSA-N 266.341 0.821 10 10 CCCE COC(=O)c1cccc(N)c1N[C@@H](CO)CCCO 2108722608 NUERPPANKACCPR-SECBINFHSA-N 268.313 0.601 10 10 CCCE COc1cccc(CNCC[C@@H]2COC[C@@H]2O)c1O 2111331314 NXTIVVVUYHRZOT-NEPJUHHUSA-N 267.325 0.888 10 10 CCCE Nc1ccc(CCN2CCC([C@H](O)CO)CC2)cc1 2096159378 ZFDFNBNKYITUDF-OAHLLOKOSA-N 264.369 0.877 10 10 CCCE Nc1ccc(CC(=O)N2C[C@@H]3C[C@H]3[C@@H]2C(=O)O)cc1 2096876357 JVEKUKLHQYZXFQ-UFGOTCBOSA-N 260.293 0.743 10 10 CCCE O=C(NC[C@@H]1C[C@@H](O)CCO1)c1cccc(O)c1O 2097944248 BUFGXJGHXBSEDR-IUCAKERBSA-N 267.281 0.368 10 10 CCCE COCC1(CNC(=O)CCc2ccc(N)cc2)COC1 2203128889 QEILJMWTSOPSPW-UHFFFAOYSA-N 278.352 0.981 10 10 CCCE COc1cc(N2C[C@@H]3CS(=O)(=O)C[C@H]3C2)ccc1CO 2204550218 NCSJTBDUHMQAGM-VXGBXAGGSA-N 297.376 0.668 10 10 CCCE COc1cc(N2CC[C@@]3(C[C@H](O)CO3)C2)ccc1CN 2204542322 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O=C1Nc2cc(N3CCSC[C@H]3CCO)ccc2[C@@H]1O 689210190 DYLJMNMDZCHLQM-MFKMUULPSA-N 294.376 0.976 10 10 CCCE O=C(NC[C@H]1[C@H](C(=O)O)C1(F)F)c1cc(O)nc(O)c1 715308414 KPMYYMSVQQKKDX-YLWLKBPMSA-N 288.206 0.189 10 10 CCCE COc1cccc(CN2C[C@@H]3CCO[C@@]3(CN)C2)c1O 2175182626 MLQVLIOUYHJGDK-WFASDCNBSA-N 278.352 0.950 10 10 CCCE NCc1ccc(N2CCn3c(CO)nnc3C2)cc1F 2171784085 FDRRPVCJAYNLEV-UHFFFAOYSA-N 277.303 0.388 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CC[C@@H]2C[C@@]21CO 2188614185 ZALXOPUYERUJPU-WDBKCZKBSA-N 277.320 0.918 10 10 CCCE C[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)CC[C@@H]1CN 2188908746 FQUOQENDHFFGOB-RKDXNWHRSA-N 280.324 0.860 10 10 CCCE C[C@H](NC(=O)Cc1ccc(O)c(O)c1)C(C)(C)O 1472300627 LWLFSTYNUNYHDY-QMMMGPOBSA-N 253.298 0.916 10 10 CCCE NC(=O)[C@@H]1COCCN1c1ccc2c(c1)CCC[C@@H]2N 2184690033 WUTNQVNLLHZXBV-KBPBESRZSA-N 275.352 0.713 10 10 CCCE CN(CCS(=O)(=O)N(C)C)c1ccc2c(c1)CC[C@@H]2N 2184736740 XKIPNWGUECYHHD-AWEZNQCLSA-N 297.424 0.960 10 10 CCCE CN(C)c1ccc([C@@H](NN)[C@H]2COCCO2)cc1 2044733995 RAIJCPGQJMFFIE-CHWSQXEVSA-N 251.330 0.672 10 10 CCCE C[S@@](=O)C1CN(C(=O)COc2ccc(N)cc2)C1 2051899952 OGZQQPVMDRXJQY-GOSISDBHSA-N 268.338 0.237 10 10 CCCE Nc1ccc(NC(=O)N2CCOCCC23CNC3)cc1 2191527861 FGPIVKYBFGPDGQ-UHFFFAOYSA-N 276.340 0.865 10 10 CCCE CN1C[C@H]2CC[C@H]1CN2c1ccc2c(c1)NC(=O)[C@@H]2O 2186699988 OLIWTORPMYWHHX-MISXGVKJSA-N 273.336 0.955 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCN1CC(=O)N1CCNC1=O 2059059267 PMFLACSCSYWPCE-QMMMGPOBSA-N 252.278 0.313 10 10 CCCE Nc1ccc(N2CCN(C[C@@H]3COC(=O)C3)CC2)cc1 2187685609 UFYZXQALUSUQEX-GFCCVEGCSA-N 275.352 0.954 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CC[C@H](CO)C1 2068578898 VAHMDJWEPRGJSH-ZETCQYMHSA-N 253.254 0.258 10 10 CCCE CC[C@@H](COC)NC(=O)c1cc(O)c(O)c(O)c1 2068565469 CNGWVVKWPXHWIQ-QMMMGPOBSA-N 255.270 0.958 10 10 CCCE C[C@@H](N=c1ccc2nc(=N)[nH]n2[nH]1)c1ccccc1O 2192621635 FAULQMCKPMIJML-MRVPVSSYSA-N 270.296 0.837 10 10 CCCE CN1CC[C@H](N(C)c2ccc(CO)c([N+](=O)[O-])c2)C1=O 2188578714 VGHYYJYHAWXRAV-NSHDSACASA-N 279.296 0.754 10 10 CCCE CO[C@@H]1CN(Cc2cc(N)ccc2O)[C@@H]2COC[C@H]12 2102147438 RKNJXYWASXEHNQ-OUCADQQQSA-N 264.325 0.820 10 10 CCCE COC[C@](O)(CO)CNCc1ccc(C)cc1O 2084072181 QLBITOCWBXXQAZ-CYBMUJFWSA-N 255.314 0.160 10 10 CCCE COc1cccc(O)c1[C@@H](C(=O)O)N1CCNCC1 2104438678 NWEVXZDGSVKBBT-LBPRGKRZSA-N 266.297 0.432 10 10 CCCE OC[C@@H]1CNCCN1c1ccc2c(c1)OCCCO2 2106376736 LBIXFLKQZVCNJL-LBPRGKRZSA-N 264.325 0.618 10 10 CCCE NC(=O)C1(N)CCN(c2ccc3c(c2)CCO3)CC1 2106352019 RFCNRXPYIIOTSM-UHFFFAOYSA-N 261.325 0.405 10 10 CCCE O=C(O)[C@@H](F)C1CN(C(=O)c2ccc(O)c(O)c2)C1 2110532083 XUQKBYFAQITTCB-JTQLQIEISA-N 269.228 0.593 10 10 CCCE CN([C@@H]1CCN(Cc2ccccc2O)C1)S(C)(=O)=O 2090801818 GBSGTAMARUZBJQ-GFCCVEGCSA-N 284.381 0.858 10 10 CCCE Nc1cc2c(cc1N1C[C@H](O)[C@@H](F)C1)CCC(=O)N2 2092771015 RSHFFOPYHHDPII-UFBFGSQYSA-N 265.288 0.673 10 10 CCCE Nc1ccc(CCC(=O)N2CC(OCCCO)C2)cc1 2206947119 XGNOXPGHDWOFJV-UHFFFAOYSA-N 278.352 0.811 10 10 CCCE CC[C@@H](O)c1ccc(N2C[C@H](O)[C@H](O)[C@@H]2COC)cc1 2233878575 HWTJAMMBXBRANN-LJISPDSOSA-N 281.352 0.687 10 10 CCCE Nc1ccc(CS(=O)(=O)N2[C@H]3CCC[C@@H]2CNC3)cc1 2234674317 FNCLWYFXJASXFJ-OKILXGFUSA-N 295.408 0.925 10 10 CCCE COC[C@@H]1[C@@H](O)[C@@H](O)CN1c1ccc2c(c1)CCO2 2226749067 PWEPLKWNSRZRRL-MBNYWOFBSA-N 265.309 0.178 10 10 CCCE CCN(c1ccc(OC)cc1CN)[C@H]1CCNC1=O 2227675743 LOPKRWOHNYXXFV-ZDUSSCGKSA-N 263.341 0.869 10 10 CCCE COc1ccc(N2CC[C@H]2[C@H](O)CO)c(F)c1F 2258323383 IVDXKEDRJFCBPM-IONNQARKSA-N 259.252 0.905 10 10 CCCE COc1cc(N2CC[C@H]2[C@H](O)CO)ccc1CO 2258340024 FXHSUJVIYLBWBD-NWDGAFQWSA-N 253.298 0.119 10 10 CCCE COc1ccc(O)c([C@H](C)N(C)CC2(O)CNC2)c1 2271703663 UDXNWGVBMQRZKM-JTQLQIEISA-N 266.341 0.728 10 10 CCCE COc1ccc(N2CC3(C2)OC[C@H](O)[C@H]3O)c(C)c1C 2284599224 PKPGCMVGBYEPGO-GXTWGEPZSA-N 279.336 0.623 10 10 CCCE CCNCc1cc(OC)ccc1N1CC[C@H]1[C@@H](O)CO 2286217649 AEMQYPYJXSFJKD-GJZGRUSLSA-N 280.368 0.737 10 10 CCCE CCNC(=O)NC(=O)[C@H](C)N(CC)CCN=[N+]=[N-] 2315988297 HXMQBOLLEYNKGJ-QMMMGPOBSA-N 256.310 0.853 10 10 CCCE Nc1ccc(O)c(CN2[C@H]3CC[C@@H]2C[C@@H](O)[C@H]3O)c1 2331966376 IEHGJSOTBHHWFF-WVWOOGAGSA-N 264.325 0.433 10 10 CCCE O=S1(=O)C[C@H]2CN(Cc3ccc(F)c(F)c3O)C[C@H]21 2336548424 JHUYXBXXRZMZEL-PSASIEDQSA-N 289.303 0.899 10 10 CCCE O=C(O)[C@H]1CO[C@@H]2CN(Cc3ccc(O)cc3O)C[C@@H]21 2354479958 QQMADPQUQDTBTP-NTZNESFSSA-N 279.292 0.629 10 10 CCCE COC(=O)[C@H]1CCN(C(=O)c2cccc(O)c2O)C1 126488677 QDKPFYHLDWLTOB-QMMMGPOBSA-N 265.265 0.733 10 10 CCCE C[C@@H](C(=O)Nc1ccc(N)cc1)N(C)CC(=O)NC1CC1 36797359 HUMXPEYJYHKBTE-JTQLQIEISA-N 290.367 0.806 10 10 CCCE CCNC(=O)[C@H]1CNCCN1Cc1ccc(O)c(O)c1 89088492 TVRRDHDQPIBJJM-LLVKDONJSA-N 279.340 0.008 10 10 CCCE C[C@@H](NCCc1nn[nH]n1)c1cc(F)ccc1O 381182376 KMVSVHVDSMJYPO-SSDOTTSWSA-N 251.265 0.938 10 10 CCCE NC(=S)[C@H]1COCCN1C(=O)c1cccc(O)c1O 700209452 HCORPRJLJSRVSK-MRVPVSSYSA-N 282.321 0.225 10 10 CCCE COc1cc(Cn2ccc3c(c2=O)CNCC3)ncn1 2163583411 ZWZDNQNVTPRDNT-UHFFFAOYSA-N 272.308 0.341 10 10 CCCE CCOc1ccc(O)c(CN2CCOC[C@H](O)C2)c1 294699012 CWSBDOUNYFDYIB-GFCCVEGCSA-N 267.325 0.984 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)N1CCC[C@H]1CO 2164623681 KCYQYLOOKSOBRJ-NSHDSACASA-N 280.324 0.807 10 10 CCCE CN1C[C@@H](NC(=O)NCc2c(O)cccc2F)CC1=O 921342693 YUSAAIDMQQIZJL-QMMMGPOBSA-N 281.287 0.561 10 10 CCCE Nc1ccc(OCCC(=O)NC2CC(CO)C2)cc1 698951796 UWWHHHPOUDNYKX-UHFFFAOYSA-N 264.325 0.925 10 10 CCCE COC[C@H](O)CCNC(=O)Cc1ccc(O)c(O)c1 1556089706 RKPRGXUGQARYSQ-SNVBAGLBSA-N 269.297 0.154 10 10 CCCE NC[C@@H]1C[C@H]1CNC(=O)CCOc1ccc(N)cc1 1876438682 ZNSFVZUKBRUKHZ-QWRGUYRKSA-N 263.341 0.749 10 10 CCCE O=C(Cn1ccc(O)nc1=O)N1Cc2cccc(O)c2C1 1302788039 SDIYSIXCZZUMJH-UHFFFAOYSA-N 287.275 0.197 10 10 CCCE C[C@H](O)CNC(=O)[C@@H](N)c1cc(Cl)ccc1O 83431015 BPDHBVUBHYIOEP-WKEGUHRASA-N 258.705 0.542 10 10 CCCE CN(C)Cc1nnc([C@@H](N)c2cccc(O)c2O)o1 83463232 KWIQCADKSSKSLQ-JTQLQIEISA-N 264.285 0.591 10 10 CCCE N[C@H](c1nnc([C@H]2CCCN2)o1)c1cc(O)ccc1O 83547334 UCYLCSUXETUNJC-KOLCDFICSA-N 276.296 0.953 10 10 CCCE NC(=O)C1CC(NC(=O)c2cccc(O)c2O)C1 716674929 GRLMPTWZGOFPQP-UHFFFAOYSA-N 250.254 0.092 10 10 CCCE NC1CCS(=O)(=NC(=O)Cc2ccc(O)c(O)c2)CC1 1916453410 GKTJGZMIUZTBPE-UHFFFAOYSA-N 298.364 0.756 10 10 CCCE COc1ccc(N2CCCN(C)C(=O)[C@H]2CN)cc1 216994753 KIJILFSFHATIOB-CYBMUJFWSA-N 263.341 0.691 10 10 CCCE O=C(O)C[C@H]1CN(c2ccc3c(c2)OCO3)CCN1 217058373 GCZAKWUYOVODBW-VIFPVBQESA-N 264.281 0.668 10 10 CCCE C[C@H]1CN(Cc2cc(N)ccc2O)C[C@@H](CCO)O1 2122796786 CABCOZLMDPREJH-GXFFZTMASA-N 266.341 0.946 10 10 CCCE Cn1c(S)nnc1CNC(=O)Cc1ccc(O)c(O)c1 1543055491 RIULQHQQCRHBET-UHFFFAOYSA-N 294.336 0.374 10 10 CCCE O=C(NCc1c(O)cccc1O)C1=COCCO1 1645360893 NQSGRKSMUMLYBN-UHFFFAOYSA-N 251.238 0.602 10 10 CCCE Cc1nnc(NC(=O)CN2CC[C@H](N=[N+]=[N-])C2)o1 1912183242 MWFABRMQHCXBDE-ZETCQYMHSA-N 251.250 0.701 10 10 CCCE C[C@@](NCCN=[N+]=[N-])(C(=O)O)[C@@H]1CCS(=O)(=O)C1 1912198683 JMRDAHAOOQIHFC-APPZFPTMSA-N 276.318 0.164 10 10 CCCE CC[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@@H]1O 1633381234 DVHZGNUANWRLBF-GWCFXTLKSA-N 265.309 0.870 10 10 CCCE CNCC[C@H](C)N(C)C(=O)c1cc(O)c(O)c(O)c1 2132413047 JMLKNWAMUHPZMA-QMMMGPOBSA-N 268.313 0.873 10 10 CCCE CN(C(=O)CN=S(C)(C)=O)c1ccc(N)cc1 1913536057 XAUYIDAEZJRVPB-UHFFFAOYSA-N 255.343 0.959 10 10 CCCE C[C@H](C(=O)Nc1ccc(N)cc1)N(C)C(C)(C)C(N)=O 1915543360 SXYXPEKGJIEGRH-SECBINFHSA-N 278.356 0.792 10 10 CCCE Nc1cc2c(cc1N1C[C@@H]3C[C@H]3[C@H]1CO)OCCO2 1905545842 CTRHEJKORFPKPM-YGOYTEALSA-N 262.309 0.857 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3C[C@@H](O)C3(C)C)cc21 2136628708 FGPBPRXMDTVEHT-VXGBXAGGSA-N 261.325 0.622 10 10 CCCE COCC1(CNC(=O)c2ccc(O)c(O)c2)COC1 2138369152 KQHCPAUZZWEETP-UHFFFAOYSA-N 267.281 0.491 10 10 CCCE CN(C)Cc1cc(CC[C@@H](O)C(=O)O)ccc1O 1951987734 NPKZSTMBCKTVCX-GFCCVEGCSA-N 253.298 0.832 10 10 CCCE COC(=O)[C@@H](O)C1(c2cc(O)c(O)c(O)c2)CC1 1952524281 NPKDKLRKRBKBKF-SNVBAGLBSA-N 254.238 0.369 10 10 CCCE Nc1ccc(OCCN2CC[C@H]3CC(=O)N[C@@H]3C2)cc1 2145074446 URGYDDSVKCTRCU-SMDDNHRTSA-N 275.352 0.858 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CCC2(CC1)C[C@@H]2CO 2148915647 ASTWLEGFNDBOHN-SNVBAGLBSA-N 278.308 0.727 10 10 CCCE NC(=O)CN(Cc1ccc(N)cc1)Cc1cccnn1 2145852888 HKXIVKWOYJCRJE-UHFFFAOYSA-N 271.324 0.546 10 10 CCCE Oc1ccc(-c2noc([C@@H]3[C@@H]4NCCO[C@@H]43)n2)cc1O 2149285463 GPDAEIYTTOPBSP-OUAUKWLOSA-N 275.264 0.602 10 10 CCCE CN(CC(F)(F)CO)c1ccc2c(c1)N(C)C(=O)[C@H]2O 2150981874 OJNJLSJYWBQSOB-NSHDSACASA-N 286.278 0.760 10 10 CCCE Nc1ccc(CCC(=O)N2CCOC[C@H](CO)C2)cc1 2154464534 MQNNWPNBEPVSEM-ZDUSSCGKSA-N 278.352 0.669 10 10 CCCE CCOC(=O)CS(=O)(=O)NCCc1ccc(N)cc1 49061655 CICMLXAPFMSHQQ-UHFFFAOYSA-N 286.353 0.294 10 10 CCCE COC(=O)[C@@H]1CCN1CCc1ccc(O)c(O)c1 2031080300 WSQDTOPKWHLZND-JTQLQIEISA-N 251.282 0.888 10 10 CCCE Oc1ccc(CNCC[C@H]2COCCO2)cc1O 2034537344 YFKMYBYCWZLEIR-NSHDSACASA-N 253.298 0.993 10 10 CCCE COC[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 69053781 WTTAZOURSITEBM-AWEZNQCLSA-N 280.368 0.825 10 10 CCCE CCN1CCN(S(=O)(=O)Cc2ccc(N)cc2)CC1=O 2158782031 FJWQJEMYBDHAGN-UHFFFAOYSA-N 297.380 0.263 10 10 CCCE CNCc1ccc(N2CCC(O)(C(N)=O)CC2)c(Cl)c1 312567937 ZBIPFTJQJPSWKX-UHFFFAOYSA-N 297.786 0.876 10 10 CCCE CO[C@@H]1C[C@@H](CO)N(C(=O)CCc2ccc(N)cc2)C1 312956809 ITFJANTZZQVMND-UONOGXRCSA-N 278.352 0.810 10 10 CCCE COCCOCCN(C)c1ccc2c(c1)NC(=O)[C@@H]2N 313325660 KLWLNOUZPOGPGH-CYBMUJFWSA-N 279.340 0.738 10 10 CCCE O=C1NC(=O)N2CCN(c3ccc(CO)c(Cl)c3)C[C@H]12 2171304837 KHNDYGIWRBAWLD-LLVKDONJSA-N 295.726 0.573 10 10 CCCE C[C@H](c1ccccc1O)N(C)C(=O)[C@H](F)C1(O)CNC1 2172290813 WLNAIVNFENFCGD-SKDRFNHKSA-N 282.315 0.584 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)OCCOC1CC1 712077998 PIHIQOYAUKDOML-NSHDSACASA-N 281.308 0.690 10 10 CCCE COC[C@@](C)(NC(=O)c1ccc(O)c(O)c1)C(=O)O 381317390 RSRYKIVEGLCERO-GFCCVEGCSA-N 269.253 0.317 10 10 CCCE Nc1ccc(NC(=O)NC[C@H]2COCCN2)cc1 2071559223 XRQVRLQQVKQDGW-NSHDSACASA-N 250.302 0.379 10 10 CCCE C[C@@H](N[C@H]1CN(C)NC1=O)c1c(O)cccc1O 393893920 KGAZIGMKAKTSEL-SFYZADRCSA-N 251.286 0.094 10 10 CCCE COc1ccc(N2CCC[C@@H]2[C@@H](O)CO)c([N+](=O)[O-])c1 2179744200 YZUPTINKDFJNNV-YPMHNXCESA-N 282.296 0.925 10 10 CCCE Nc1ccc(CCC(=O)NC[C@]2(O)CCCOC2)cc1 2168097620 HEFUSWCWTWIXSN-OAHLLOKOSA-N 278.352 0.859 10 10 CCCE O=C(O)CN1CCC[C@@H](NCc2ccc(O)cc2O)C1 2169309787 PIXDWCDGDPCYRE-LLVKDONJSA-N 280.324 0.736 10 10 CCCE CN(CCn1cncn1)c1cc2c(cc1N)OCCO2 2170115860 CZLCHMMFJYBGGN-UHFFFAOYSA-N 275.312 0.768 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3CC=CC[C@@H]3CO)cc21 2176345803 ZHYQLUZVPQFGFY-BXUZGUMPSA-N 273.336 0.790 10 10 CCCE CNCc1cc(F)c(N(C)[C@H]2CC(=O)NC2=O)c(F)c1 2171191330 YAHQIVJYDYKWCM-JTQLQIEISA-N 283.278 0.536 10 10 CCCE O=C(N[C@@H]1CC(=O)N2CCC[C@H]12)c1ccc(O)c(O)c1 2188493751 IQLMJKUBKVZQKL-NXEZZACHSA-N 276.292 0.591 10 10 CCCE NCC[C@H](NC(=O)c1cc(O)c(O)c(O)c1)C(F)(F)F 2188918268 CPPAVUAJSUGGQQ-QMMMGPOBSA-N 294.229 0.813 10 10 CCCE CNCc1ccc(N2C[C@@H]3C[C@H](C2)[C@H](O)[C@H]3O)c(F)c1 2182559732 KLLPTIFOIFXXQQ-JLUCKKNBSA-N 280.343 0.723 10 10 CCCE C[C@](O)(CNCc1ccc2c(c1)CCO2)C(=O)O 2042401003 FCYHFOPTMOQBBR-ZDUSSCGKSA-N 251.282 0.547 10 10 CCCE Nc1cccc(C(=O)O)c1N[C@H]1COC[C@H]1CO 2046435331 DYSWYSUPPUOOPM-XCBNKYQSSA-N 252.270 0.386 10 10 CCCE C[C@H](NCCCNC(N)=O)c1c(O)cccc1O 2048904914 CJGWSVVHKOIRRC-QMMMGPOBSA-N 253.302 0.807 10 10 CCCE Cc1ccc(O)c(CNC2[C@@H]3CS(=O)(=O)C[C@@H]23)c1 2054275450 LSWMLRLQLFGIKK-GHMZBOCLSA-N 267.350 0.833 10 10 CCCE CCn1cnc(Cl)c1[C@H](NCCN=[N+]=[N-])C(N)=O 2054896021 TWYSCFKPYPEQFK-LURJTMIESA-N 271.712 0.983 10 10 CCCE O=C(NCc1cnsn1)c1cc(O)c(O)c(O)c1 2068619190 XDNGDCGVOCESBZ-UHFFFAOYSA-N 267.266 0.585 10 10 CCCE Oc1ccc(CN2CCN[C@@H]3COC[C@@H]32)cc1O 2068830863 KLIYFCAYDKVTDF-MNOVXSKESA-N 250.298 0.270 10 10 CCCE Nc1ccc(CCC(=O)N[C@@H]2C[C@H](O)C[C@H]2O)cc1 2108804843 VFLBADKNWSTRQV-YNEHKIRRSA-N 264.325 0.202 10 10 CCCE Cc1ccc(O)c([C@H](C)N[C@@H]2C[C@H](O)[C@@H](O)[C@@H]2O)c1 2108832498 POLKXXHKHKVFMO-MAEJKLRXSA-N 267.325 0.206 10 10 CCCE C[C@@H](c1ccccc1O)N(C)CC(=O)NCCN 2072463502 VPLQWZNBOIJXKE-JTQLQIEISA-N 251.330 0.460 10 10 CCCE Nc1ccc(OCCCN2C[C@H](O)C[C@@H](O)C2)cc1 2105113177 JJOVGEXZADQBSV-CHWSQXEVSA-N 266.341 0.465 10 10 CCCE Cc1cccc(N)c1N[C@@H]1COC[C@@H]1S(C)(=O)=O 2086309153 FIKSLARXHARTOZ-MNOVXSKESA-N 270.354 0.801 10 10 CCCE CCN1CCc2cc([C@@H](NN)c3nc[nH]n3)ccc21 2106852187 CDKAHHBBNQTKAR-GFCCVEGCSA-N 258.329 0.740 10 10 CCCE COc1ccc(N2CC[C@H]3CC(=O)N[C@@H]3C2)c(N)c1 2088805278 DKELPFCETWEPAV-JOYOIKCWSA-N 261.325 0.992 10 10 CCCE CNCc1ccc(N2C[C@H](O)[C@@H](N(C)C)C2)c(F)c1 2089921039 YICJISLTPXOAIH-KBPBESRZSA-N 267.348 0.656 10 10 CCCE CC[C@H](CS(C)(=O)=O)NC(=O)c1ccc(O)c(O)c1 2090094925 QGAHRFCNHUULBN-SECBINFHSA-N 287.337 0.651 10 10 CCCE CCN(Cc1cc(C)ccc1O)[C@H]1CC(=O)NC1=O 2114735611 RETGTGJSOBAPKY-NSHDSACASA-N 262.309 0.938 10 10 CCCE C[C@H](O)c1ccc(N2CCC[C@H]2[C@@H](O)CO)cc1O 2123173668 XMXDBLMBVNRHIO-WFBYXXMGSA-N 267.325 0.768 10 10 CCCE [N-]=[N+]=N[C@@H]1CCC[C@H]1NS(=O)(=O)c1cc[nH]n1 2213588914 CQGZRQVOYVJSMC-RNFRBKRXSA-N 256.291 0.919 10 10 CCCE Cn1ncc(S(=O)(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])n1 2218747594 XTZLMUWGRCXOQA-RNFRBKRXSA-N 271.306 0.325 10 10 CCCE COc1ccc(N2C[C@H](O)[C@H](N(C)C)C2)c(F)c1 2219607508 HXNKCQBMBGMZKX-OLZOCXBDSA-N 254.305 0.945 10 10 CCCE COc1ccc(N2CCOC[C@@]2(C)CO)c(CN)c1 2227682683 ITWHWMNMHXXTHU-CQSZACIVSA-N 266.341 0.742 10 10 CCCE Cc1cc([C@H](C)O)ccc1N1CCC[C@@](O)(C(N)=O)C1 2240830445 OHWSDNAADAYXSH-NHYWBVRUSA-N 278.352 0.865 10 10 CCCE COC[C@@H](ON)C(=O)NCc1cnc(SC)s1 2248646835 MHDVCHXJUNAWJM-SSDOTTSWSA-N 277.371 0.387 10 10 CCCE CNCc1ccc(N2CC[C@H]2[C@H](O)CO)cc1OC 2270680873 QLZXAXLAKHGQIA-QWHCGFSZSA-N 266.341 0.347 10 10 CCCE Cc1cc(N2CC(=O)NC(=O)[C@H]2C)ccc1[C@@H](C)O 2269682060 TTYZTGFWKOGMMP-NXEZZACHSA-N 262.309 0.900 10 10 CCCE C[C@H](N)c1ccc(N2C[C@@H]3OC[C@@H](CO)O[C@@H]3C2)cc1 2279884146 JBEATKNJAJOOQW-OADPDTJPSA-N 278.352 0.671 10 10 CCCE CN(C)c1ccc(OC[C@@H]2CO[C@H]3CNC[C@@H]3O2)cc1 2279922493 SIZYEZUSJOCPGN-ILXRZTDVSA-N 278.352 0.887 10 10 CCCE O=C1CCC2(CN1)CN(C(=O)c1cccc(O)c1O)C2 2280252525 IVCUNVLSEKEPOJ-UHFFFAOYSA-N 276.292 0.450 10 10 CCCE COc1ccc(N2CC[C@H](O)[C@@H](O)CC2)c([N+](=O)[O-])c1 2284563297 KQHYYEOVAGNHAS-STQMWFEESA-N 282.296 0.925 10 10 CCCE NCc1ccc(N2C[C@@H]3C[C@H]2[C@H](O)[C@@H]3O)c(Cl)c1 2308770518 ATYCEFHTWTXGQQ-KNDHEWATSA-N 268.744 0.729 10 10 CCCE Nc1ccc(O)c(CN2C[C@@H]3CS(=O)(=O)[C@H]3C2)c1 2314955727 KCCTYHPFWRANKD-SKDRFNHKSA-N 268.338 0.203 10 10 CCCE O=S1(=O)C[C@H]2CN(Cc3cccc(F)c3O)C[C@@H]21 2314963591 NIGKCZVQRGFNCU-KOLCDFICSA-N 271.313 0.760 10 10 CCCE CS(=O)(=O)[C@H]1CC[C@H]1NCc1ccc(O)cc1O 2319828851 LOBRDXORXKJFOG-PWSUYJOCSA-N 271.338 0.763 10 10 CCCE Nc1ccc(OCCCN2CC([C@@H](O)CO)C2)cc1 2336769700 SKSXNTPQDAPTAG-AWEZNQCLSA-N 266.341 0.323 10 10 CCCE Nc1ccc(CCC(=O)N2CC([C@H](O)CO)C2)cc1 2336871484 MKRBCSQTNJIIMQ-CYBMUJFWSA-N 264.325 0.013 10 10 CCCE COC1(C(N)=O)CN(c2ccc(CN)c(SC)c2)C1 2353852537 VASASRCEYJSJIU-UHFFFAOYSA-N 281.381 0.558 10 10 CCCE CSc1cc(N2C[C@H](O)[C@H](N(C)C)C2)ccc1CN 2353855648 OKKPSJXWWNULDI-OLZOCXBDSA-N 281.425 0.978 10 10 CCCE NCc1ccc(N2CC[C@@](O)(C(N)=O)C2)c(Cl)c1 311168922 RQAOSQFOWHSLKT-LBPRGKRZSA-N 269.732 0.225 10 10 CCCE C[C@H](N[C@@H]1CC(=O)N(C)C1=O)c1ccc(O)cc1O 115260986 HAVDSZNMPPNRJL-OIBJUYFYSA-N 264.281 0.506 10 10 CCCE COC(=O)/C=C1\SC(N2CCOCC2)=NC1=O 33286378 KPWFOZPKKOFHHI-SREVYHEPSA-N 256.283 0.005 10 10 CCCE C[C@H](NCCCS(N)(=O)=O)c1ccccc1O 45066873 PZYQBJCXELHQDC-VIFPVBQESA-N 258.343 0.721 10 10 CCCE CN(C)CCN[C@H](C(N)=O)c1ccc2c(c1)CCN2C 50287589 LXHHVPUJSQGLTE-AWEZNQCLSA-N 276.384 0.357 10 10 CCCE O=C(O)[C@H]1CCCN1C(=O)c1ccc(O)c(O)c1 236440788 WCUZWHFTOYKXRS-MRVPVSSYSA-N 251.238 0.787 10 10 CCCE CC(=O)NCCNC(=S)N(C(C)=O)c1ccc(N)cc1 242955348 HHISICPGODVMRR-UHFFFAOYSA-N 294.380 0.632 10 10 CCCE COCC[C@H](CN)NC(=O)c1cc(OC)nc(OC)c1 2166942429 JWKLSQPLDNWOBJ-SNVBAGLBSA-N 283.328 0.192 10 10 CCCE CO[C@H]1C[C@H](CO)N(c2ccc3c(c2)NC(=O)[C@H]3N)C1 2167205125 PFLQSTVVBVESJN-NRUUGDAUSA-N 277.324 0.225 10 10 CCCE CC(=O)C(=O)COC(=O)[C@H]1CCc2c[nH]nc2C1 808524208 MRAWNUATELVNNX-QMMMGPOBSA-N 250.254 0.216 10 10 CCCE CC(=O)N1CCO[C@@H](C(=O)N[C@H](C)c2ccccc2O)C1 828534759 JJOMXAMTNNWNSS-QMTHXVAHSA-N 292.335 0.817 10 10 CCCE C[C@H](NC(=O)CCNC(=O)CO)c1ccccc1O 913764034 YUMXGGHVSKXZKO-VIFPVBQESA-N 266.297 0.068 10 10 CCCE C[C@H](CNC(=O)c1ccc(O)c(O)c1)S(C)(=O)=O 697590188 ZUAAZPXGAJRHKN-SSDOTTSWSA-N 273.310 0.261 10 10 CCCE O=C(NCc1ccc(O)cc1O)c1ccnc(CO)c1 1142533420 JMHSWAVTXKQYHD-UHFFFAOYSA-N 274.276 0.915 10 10 CCCE O=C(NCc1c(O)cccc1O)c1cnncc1O 1304053445 LDSUOYKTCBHBOW-UHFFFAOYSA-N 261.237 0.523 10 10 CCCE C[C@H](NC(=O)NCc1nnc(O)n1C)c1ccccc1O 1313197560 ACSSLMWPBSKZRI-QMMMGPOBSA-N 291.311 0.787 10 10 CCCE COC[C@](C)(CCO)NC(=O)c1cccc(O)c1O 275231226 DTRJFYNJHUSLDL-ZDUSSCGKSA-N 269.297 0.615 10 10 CCCE N[C@@H](C(=O)NCc1ccc[nH]1)c1cc(O)ccc1O 83444379 GGGTUEOINPCQGT-GFCCVEGCSA-N 261.281 0.742 10 10 CCCE N[C@@H](c1nnc([C@H](O)CC(=O)O)o1)c1ccccc1O 83588117 WTZWOWINPBQKGQ-PSASIEDQSA-N 279.252 0.331 10 10 CCCE CC(=O)N[C@@H](C[C@@H]1NCCc2cccc(O)c21)C(=O)O 83659588 RVAOQNBHLKGWKI-QWRGUYRKSA-N 278.308 0.558 10 10 CCCE Oc1cc2c(cc1O)[C@H]([C@H]1C[C@@H](O)CN1)NCC2 83724734 TZOVDTVGOYKKRH-ZDSQKVDBSA-N 250.298 0.007 10 10 CCCE Nc1ccc(OCC(=O)NC[C@@]2(O)CCSC2)cc1 702224672 UJRDLBLTJPLHNG-ZDUSSCGKSA-N 282.365 0.632 10 10 CCCE CN(c1ccc2c(c1)NC(=O)[C@@H]2N)[C@H]1CCC[C@@H]1O 709477158 WEUMQKWEVJXTJM-RWMBFGLXSA-N 261.325 0.988 10 10 CCCE Oc1ccc(CNCCCN2CCC2)c(O)c1O 697380781 WDRVUGXRNNDDKZ-UHFFFAOYSA-N 252.314 0.989 10 10 CCCE Nc1ccc(OCCNC(=O)N[C@@H]2CCOC2)cc1 94889169 BQJHGJJFWWMYFQ-LLVKDONJSA-N 265.313 0.736 10 10 CCCE CN(C)c1ccc(CNC(=O)[C@@H]2CNC[C@@H]2F)cc1 2120671317 IAWRYNVGXQJVMS-OLZOCXBDSA-N 265.332 0.926 10 10 CCCE Nc1ccc(CC(=O)Nc2cc(O)nc(O)n2)cc1 1865956876 KTFOCBAGZUHISG-UHFFFAOYSA-N 260.253 0.651 10 10 CCCE NC(=O)C[C@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1 1629124338 YJXFTIHPWINDHZ-SNVBAGLBSA-N 278.308 0.364 10 10 CCCE CN1CCC[C@@H](NC(=O)Cc2ccc(O)c(O)c2)C1 1633138634 FKZSXGIKWOKRQY-LLVKDONJSA-N 264.325 0.851 10 10 CCCE O=C(NCc1cccc(O)c1O)c1ccc(O)nn1 1651173150 RVGHTYJGAYTIPY-UHFFFAOYSA-N 261.237 0.523 10 10 CCCE COC[C@H]1C=CCN1S(=O)(=O)Cc1ccc(N)cc1 2125946024 CJWBAZITEIZQFI-CYBMUJFWSA-N 282.365 0.985 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NCCSCCCO 1635667446 FQUZEWFKORYIQT-UHFFFAOYSA-N 285.365 0.872 10 10 CCCE N=S1(=O)CC2(CN(C(=O)c3cccc(O)c3O)C2)C1 2126363723 OBDFWZATGBDXCY-UHFFFAOYSA-N 282.321 0.600 10 10 CCCE COC(=O)[C@@H](C)CS(=O)(=O)N1CCC(N=[N+]=[N-])CC1 2127234556 CSHOICDZHUUEAU-QMMMGPOBSA-N 290.345 0.900 10 10 CCCE CC[C@@H](NC(=O)COc1ccc(N)cc1)C(=O)O 1860080876 SSIKCGNSXHRUNI-SNVBAGLBSA-N 252.270 0.627 10 10 CCCE COc1ccc(N(C)C[C@@H](N)CO)c(OC)c1C 258898143 HNBZITYLYJVIGR-SNVBAGLBSA-N 254.330 0.768 10 10 CCCE COc1ccc(N(C)[C@H]2CCN(CC(=O)O)C2=O)cc1 852730130 NZIMUUGSLWFEHI-LBPRGKRZSA-N 278.308 0.817 10 10 CCCE CC(C)[C@H](O)[C@@H](C)NC(=O)c1cc(O)c(O)c(O)c1 2132350544 OIVLFAJBNVAKOD-HQJQHLMTSA-N 269.297 0.939 10 10 CCCE O=S(=O)(Nc1ccc(O)c(Cl)c1)N1CC(O)C1 1914117709 RTVLOVOTWDTKKW-UHFFFAOYSA-N 278.717 0.379 10 10 CCCE C[C@H](N)c1ccc(N2CC(O)(C(N)=O)C2)cc1Cl 1915248775 LZBWIAPKAAKTHU-ZETCQYMHSA-N 269.732 0.396 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1C[C@H]2CC[C@]2(CO)C1 1901745082 BFFHWUZFSZLWOG-QMTHXVAHSA-N 263.293 0.942 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3CC[C@@](F)(CO)C3)cc21 1917072071 QFOLAPRBWCDWIX-OCCSQVGLSA-N 279.315 0.574 10 10 CCCE COCC[S@](C)(=O)=NC(=O)c1cccc(O)c1O 1918024106 PWUPLNVRMDKAFA-SFHVURJKSA-N 273.310 0.982 10 10 CCCE Cc1cc(N2C(=O)[C@H]3CS(=O)(=O)C[C@@H]3C2=O)ccc1N 1924776618 OVBRBFUEMOBBSP-UWVGGRQHSA-N 294.332 0.111 10 10 CCCE Nc1ccc(N2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)cc1 1941412360 PXOPXAGABCRRCK-JOYOIKCWSA-N 252.339 0.892 10 10 CCCE Nc1ccc(CC(=O)NCCOCCCO)cc1 1970822978 SQYOKZMPVHBAKT-UHFFFAOYSA-N 252.314 0.327 10 10 CCCE CO[C@H](C(=O)O)C1(c2ccc(O)c(O)c2O)CC1 1952782769 WMQPIDNFWJZNQG-SNVBAGLBSA-N 254.238 0.935 10 10 CCCE Nc1ccc(OCC(=O)NCCO[C@H]2CCOC2)cc1 2143837996 TVTWLFVEJBGKBC-ZDUSSCGKSA-N 280.324 0.569 10 10 CCCE COc1cc([C@@H]2NCC[C@@H]2C(=O)O)cc(O)c1O 1952908698 CWVIXMPTUUGGIN-XVKPBYJWSA-N 253.254 0.842 10 10 CCCE CCNC(=O)CN(C)C(=O)CCc1ccc(N)cc1 42272157 KRDFJSMEBSDNND-UHFFFAOYSA-N 263.341 0.796 10 10 CCCE NCc1ccc(N2CC[C@H](OCC(N)=O)C2)c(F)c1F 2145371655 NVTKRFYSBNQIIC-VIFPVBQESA-N 285.294 0.504 10 10 CCCE COc1ccc(CNCCN2CC3(COC3)C2)c(O)c1 2149089481 NUZIOMPFBOEXAI-UHFFFAOYSA-N 278.352 0.823 10 10 CCCE Nc1ccc(CN(C(=O)[C@H]2CCS2(=O)=O)C2CC2)cc1 2150722609 DCAITSDHCLSQDO-CYBMUJFWSA-N 294.376 0.947 10 10 CCCE CC[C@@H](CN)NS(=O)(=O)Cc1ccc(N)cc1 2016962961 BHVXQMUMGTWPBP-NSHDSACASA-N 257.359 0.426 10 10 CCCE CO[C@H]1CN(C)C[C@H]1NCc1ccc(O)cc1O 2034336316 QQKCUJWPRWRPDR-YPMHNXCESA-N 252.314 0.516 10 10 CCCE [N-]=[N+]=NCCCN[C@]1(C(N)=O)CC[C@H]2CC[C@H]1O2 401478846 OLIAOVYUFCZFFK-FXPVBKGRSA-N 253.306 0.842 10 10 CCCE CN[C@H](C)c1ccc(N2CC[C@](O)(CO)C2)cc1O 313743261 OQFDCVCGBNCCID-QMTHXVAHSA-N 266.341 0.606 10 10 CCCE CN[C@@H](C)c1ccc(N2CC(OC)(C(N)=O)C2)c(F)c1 2161183552 LHAMNVYKEJBJJA-VIFPVBQESA-N 281.331 0.797 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@@H](N)Cc1ncns1 2172317221 BIIMSXOBTCJLKS-JTQLQIEISA-N 292.364 0.772 10 10 CCCE COc1ccc(CN[C@H]2COCC[C@@H]2O)c(O)c1 710892845 XXXRVPNCSXDTGU-RYUDHWBXSA-N 253.298 0.640 10 10 CCCE C[C@@]1(c2nc(-c3ccc(O)c(O)c3)no2)CNCCO1 711555538 LDGAQIZQOFHVCU-ZDUSSCGKSA-N 277.280 0.983 10 10 CCCE CNCc1ccc(N2CC(O)(COC)C2)c(C)c1 383961006 FRUKHSXHAQOQMM-UHFFFAOYSA-N 250.342 0.912 10 10 CCCE CCN[C@H]1CCOC[C@H]1NC(=O)c1cccc(O)c1O 717162339 JZHFQURBDMIELQ-WDEREUQCSA-N 280.324 0.595 10 10 CCCE CCNC[C@H](C)N(C)C(=O)c1cc(O)nc(O)c1 721624669 QQMHTZFMOZZYNI-QMMMGPOBSA-N 253.302 0.563 10 10 CCCE COc1cccc(O)c1CN1C[C@@H](O)[C@H](CC(=O)O)C1 2174350613 FNIJIDLPSNTJCB-BXKDBHETSA-N 281.308 0.668 10 10 CCCE O=C(NCc1c(O)cccc1O)[C@@H]1CCN2CCOC[C@H]12 2064216918 IHRVJWDUMRKMAW-ZYHUDNBSSA-N 292.335 0.435 10 10 CCCE COCCNCc1ccc(N2CC(=O)NC[C@@H]2C)cc1 2181166589 BFPYOUKXECMZPA-LBPRGKRZSA-N 277.368 0.747 10 10 CCCE O=C(N[C@@H]1CC(=O)N2CCC[C@@H]12)c1cccc(O)c1O 2188494406 NHWRFGPFYGUFCT-ZJUUUORDSA-N 276.292 0.591 10 10 CCCE O=C(O)C1=CC[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)C1 2188868303 OYPIUNZWNGTPPL-MRVPVSSYSA-N 279.248 0.707 10 10 CCCE Cc1ccc(O)c(CN2CCS(=O)(=O)[C@@H](C(=O)O)C2)c1 2197715365 QNDWXNYRSYZJAK-GFCCVEGCSA-N 299.348 0.384 10 10 CCCE O[C@H]1CCCc2cc(N3C[C@@H]4C[C@H]3[C@H](O)[C@@H]4O)ccc21 2184693087 LXMIHCJATJJZMU-AFWDSHEPSA-N 275.348 0.987 10 10 CCCE CCN(c1ccc2c(c1)CC[C@@H]2O)[C@@H]1CC(=O)NC1=O 2184734385 RZVJNBVMMPYSAC-OLZOCXBDSA-N 274.320 0.908 10 10 CCCE O[C@H]1CCc2cc(N3C[C@H]4C[C@H](O)[C@@H](O)[C@@H]3C4)ccc21 2184734330 RDLYIVYCWIJLFD-RQISZKQWSA-N 275.348 0.987 10 10 CCCE COC[C@](O)(CN)c1ccc2c(c1)CCCN2C 2044729063 FOBITXMFXJIZJV-CQSZACIVSA-N 250.342 0.862 10 10 CCCE C[C@@H]1C[C@@H]1N(CCO)C(=O)c1cc(O)nc(O)c1 2048247005 CLVJLNIKBARIRH-APPZFPTMSA-N 252.270 0.336 10 10 CCCE CCN(c1cc2c(cc1N)OCC(=O)N2)[C@@H]1CCNC1 2191588424 RIOPTFGOOUWRTO-SECBINFHSA-N 276.340 0.788 10 10 CCCE COc1cc(N)c(N2CC[C@@H](N)[C@H](CO)C2)cc1OC 2191790767 RDRXXLIJPSGTFV-VHSXEESVSA-N 281.356 0.432 10 10 CCCE Nc1cc2c(cc1N1C[C@H]3CC[C@H]1CN3)NC(=O)CO2 2191894775 XVLORZORNPKVRL-BDAKNGLRSA-N 274.324 0.540 10 10 CCCE C[C@H](NC(=O)[C@H](N)Cc1cnc[nH]1)c1ccccc1O 2192629814 UJLNRCYKNDAYFF-JOYOIKCWSA-N 274.324 0.863 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CCN[C@@H]3C[C@@H]32)cc1 2071733828 LFAHNMDMCDWULP-NEPJUHHUSA-N 267.354 0.145 10 10 CCCE CN1C(=O)[C@@H](O)c2ccc(N3C[C@H](O)C34CCC4)cc21 2201411058 ZGTUUJBDYDEJQC-STQMWFEESA-N 274.320 0.800 10 10 CCCE COC(=O)[C@@H](C)NC(=O)NCc1cc(N)ccc1O 2100779127 AMZKUTNFZXJOER-SSDOTTSWSA-N 267.285 0.335 10 10 CCCE O=C(O)[C@@H]1C[C@H](O)CN1Cc1ccc(O)c(O)c1 2080555433 LNYPKJCMAORZDC-IUCAKERBSA-N 253.254 0.118 10 10 CCCE O=C(NC[C@@H]1CC[C@@H]1C(=O)O)c1ccc(O)c(O)c1 2101162890 QRHDDLVUZTVDRO-IUCAKERBSA-N 265.265 0.938 10 10 CCCE COC1(C(N)=O)CN(c2ccc([C@@H](C)N)cc2F)C1 2104899940 GWSYYPIDYRKSMM-MRVPVSSYSA-N 267.304 0.536 10 10 CCCE CN(C)c1ccc([C@@H](CN2CCOCC2)NN)cc1 2106857804 OOJBXIIYMMTZGD-CQSZACIVSA-N 264.373 0.589 10 10 CCCE CC[C@@H]1CNCCN1C(=O)Cc1ccc(O)c(O)c1 2087727151 OJZPNFVSWKZJER-LLVKDONJSA-N 264.325 0.851 10 10 CCCE C[C@@H](c1cc(O)ccc1O)N1CC(OCC(=O)O)C1 2088561637 FENRMSXYXAJXAB-QMMMGPOBSA-N 267.281 0.944 10 10 CCCE 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COc1ccc(N2CCN(C[C@H](CN)CO)CC2)cc1 2188010444 PNWYXOZWKFYUBE-ZDUSSCGKSA-N 279.384 0.384 10 10 CCCE C[C@H](NC(=O)C1(CO)CNC1)c1ccccc1O 2072483382 DJAKJOTZNOKIBU-VIFPVBQESA-N 250.298 0.151 10 10 CCCE COC(=O)c1nc(N(C)Cc2ccccc2O)nn1C 2192592186 PYDIZGFQAIYRIP-UHFFFAOYSA-N 276.296 0.944 10 10 CCCE C[C@H](NS(=O)(=O)CC1CNC1)c1ccccc1O 2073968828 PRCVLWFLLANMLP-VIFPVBQESA-N 270.354 0.592 10 10 CCCE C[C@@H](Nc1c(O)nc(=O)n(C)c1N)c1ccccc1O 2192631058 DHICDWMXBOHGMZ-SSDOTTSWSA-N 276.296 0.947 10 10 CCCE CN(C)c1ccc2c(c1)OCCN2[C@@H]1CC(=O)NC1=O 2195870902 NVSVOOHWWCKEDJ-LLVKDONJSA-N 275.308 0.367 10 10 CCCE C[C@@H](N)c1ccc(N2CC[C@H](N3CC(O)C3)C2)cc1 2102520674 SFJQMVBGKISRNM-RISCZKNCSA-N 261.369 0.962 10 10 CCCE Cc1cccc(CNC(=O)COCC(=O)O)c1O 2084059888 ZHAAZVNDHXKBJO-UHFFFAOYSA-N 253.254 0.418 10 10 CCCE NC(=O)[C@@H](NC[C@H]1CCCO1)c1c(O)cccc1F 2104474652 UROKLMJIUYYBDD-PELKAZGASA-N 268.288 0.826 10 10 CCCE CN(C)c1ccc(CNC(=O)N2CC(CN)C2)cc1 2108628973 HSHCCZVYMLNSHM-UHFFFAOYSA-N 262.357 0.853 10 10 CCCE CCOC(=O)c1cccc(N)c1N[C@@H](C)[C@H](O)CO 2108746003 WQYSMNKURAXZGW-GZMMTYOYSA-N 268.313 0.599 10 10 CCCE O[C@H]1C[C@H](NCc2ccc3c(c2)CCCO3)[C@H](O)C1 2108798913 HAZJBHAXMFCITP-MELADBBJSA-N 263.337 0.985 10 10 CCCE Nc1c[nH]c(=NCCc2ccc(O)c(O)c2)cc1N 2109588780 JSALAQJWAFIAAX-UHFFFAOYSA-N 260.297 0.734 10 10 CCCE Nc1ccc(NC(=O)CN2C[C@H]3C[C@@]3(CO)C2)cc1 2090115187 CNPLANUNLPXMNP-YGRLFVJLSA-N 261.325 0.522 10 10 CCCE CC(C)NCc1nn(C)nc1-c1ccn(C)c(=O)c1 2111411296 MAFISBUOSHHXLL-UHFFFAOYSA-N 261.329 0.679 10 10 CCCE CC[C@H](CN)S(=O)(=O)NCCc1ccc(O)c(O)c1 2091755740 PKNAQWOSUUIFII-SNVBAGLBSA-N 288.369 0.297 10 10 CCCE NCc1ccc(N2C[C@@H](CO)[C@H](CCO)C2)c(F)c1 2093494880 BUXNKGZGGUTVDR-NEPJUHHUSA-N 268.332 0.712 10 10 CCCE O=C1Nc2cc(N3C[C@H](O)C(F)(F)C3)ccc2[C@H]1O 2095740268 MGLSECOLTFACBX-VHSXEESVSA-N 270.235 0.488 10 10 CCCE C[C@@]1(CNC(=O)COc2ccc(N)cc2)CCNC1=O 2200806101 IMUCZTLJLOLUDZ-AWEZNQCLSA-N 277.324 0.290 10 10 CCCE CS(=O)(=O)Cc1noc(CN2CC[C@H](N=[N+]=[N-])C2)n1 2113517068 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10 10 CCCE N[C@H](CO)c1nnc(C=Cc2ccc(O)c(O)c2)o1 2295987903 VFTUTVVPWMYWTH-MRVPVSSYSA-N 263.253 0.643 10 10 CCCE C[C@@H](N)c1ccc(N2C[C@H](O)C[C@H]2CO)cc1O 2313614564 RTQYVUBSCWZIDM-DVVUODLYSA-N 252.314 0.344 10 10 CCCE C[C@H](NCCS(=O)(=O)CCO)c1ccccc1O 2314181153 MQYWDAAFXKSXGQ-JTQLQIEISA-N 273.354 0.450 10 10 CCCE Nc1ccc(CC(=O)N[C@H]2C[C@]3(C(=O)O)C[C@H]23)cc1 2329368542 YQDAZEKXTMEWNN-UHIISALHSA-N 260.293 0.791 10 10 CCCE C[C@@H](c1c(O)cccc1O)N1C[C@@H]2NC(=O)O[C@@H]2C1 2330745947 YUJYUDBAVLHCIE-DKCNOQQISA-N 264.281 0.951 10 10 CCCE N[C@H]1CCc2cc(N3C[C@@H]4C[C@H]3[C@@H](O)[C@H]4O)ccc21 2331551805 QCLPIYXDUHSAHT-XOKYVNOHSA-N 260.337 0.563 10 10 CCCE CNCc1ccc(N2C[C@@H]3CS(=O)(=O)[C@H]3C2)c(F)c1 2336472239 ZVWXWISRXFREFE-MFKMUULPSA-N 284.356 0.778 10 10 CCCE O=C(c1cccc(O)c1O)N1C[C@@H]2C[C@@H](O)[C@@H](O)[C@H]1C2 2355343233 ASSMESJVFDQDTA-WQHKMRLXSA-N 279.292 0.054 10 10 CCCE CN(C(=O)CN1CCNC(=O)C1(C)C)c1ccc(N)cc1 110652658 SINKYRUMIWGDEQ-UHFFFAOYSA-N 290.367 0.442 10 10 CCCE CCCNC(=O)[C@H](C)N(CC(N)=O)Cc1ccc(N)cc1 35366666 FGEZVXZLLBFUKG-NSHDSACASA-N 292.383 0.471 10 10 CCCE Nc1ccc(C[C@@H](NC(=O)C(F)(F)F)C(=O)O)cc1 32133866 QHBZLSHJPHKIRW-MRVPVSSYSA-N 276.214 0.943 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCCc1ncc[nH]1 139595629 DMQHLUBNUXBESA-JTQLQIEISA-N 290.323 0.050 10 10 CCCE CS(=O)(=O)CS(=O)(=O)Nc1ccc(O)c(F)c1 130143518 QCFDONZXZYDDPB-UHFFFAOYSA-N 283.302 0.275 10 10 CCCE COCCNC(=O)[C@H](C)NCc1ccc(F)c(F)c1O 700766317 MAQPAGYEQYCUIU-QMMMGPOBSA-N 288.294 0.911 10 10 CCCE CC(=O)C(=O)COC(=O)c1ccnc(-n2cccn2)c1 808519598 CIDCELGEVWOJPO-UHFFFAOYSA-N 273.248 0.582 10 10 CCCE CC(=O)C(=O)COC(=O)CCn1nc(C)c([N+](=O)[O-])c1C 808512992 SPLPCLVFJOQWTD-UHFFFAOYSA-N 297.267 0.500 10 10 CCCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)CN2CSCC2=O)C1 701323071 LGMPHHOVMIWQKR-MRVPVSSYSA-N 269.330 0.821 10 10 CCCE Cn1cnnc1N1CCN(Cc2cc(F)ccc2O)CC1 848924870 FIMPDQRMRZDLGX-UHFFFAOYSA-N 291.330 0.982 10 10 CCCE O=C1NCCC[C@H]1C(=O)NCc1c(O)cccc1F 928706981 ZGKPAFDENXCTMW-MRVPVSSYSA-N 266.272 0.674 10 10 CCCE COc1ccc(O)c([C@H](C)NC(=O)C2=NO[C@H](CN)C2)c1 852886252 ZNGUAOMMDKDWFS-WPRPVWTQSA-N 293.323 0.682 10 10 CCCE CNC(=O)[C@@H]1CCN(C(=O)c2cc(O)cs2)C1 854963964 XJPFPRGXNFGGCW-SSDOTTSWSA-N 254.311 0.662 10 10 CCCE CO[C@@H]1CS(=O)(=O)C[C@@H]1N(C)Cc1cccc(C)c1O 697039083 VFEYVIUDKQCBLE-QWHCGFSZSA-N 299.392 0.944 10 10 CCCE Nc1ccc(NC(=O)N2CCO[C@@H]3CNC[C@H]32)cc1 1876164399 DXZWYIWVONXZTQ-VXGBXAGGSA-N 262.313 0.473 10 10 CCCE NC[C@H]1CC[C@H](NS(=O)(=O)Cc2ccc(N)cc2)C1 1876414711 XZBNZOXPHFZMFY-AAEUAGOBSA-N 283.397 0.816 10 10 CCCE N=c1[nH]cc(CNS(=O)(=O)Cc2ccc(N)cc2)s1 1876468430 VEVVMOFVUUVADM-UHFFFAOYSA-N 298.393 0.757 10 10 CCCE N[C@H](C(=O)NCc1ncc[nH]1)c1cc(O)ccc1O 83452199 SEBRCBPUWBNICR-NSHDSACASA-N 262.269 0.137 10 10 CCCE Cc1cccc(CNCC2(S(N)(=O)=O)CC2)c1O 713985299 DHWODNNFBZSRAO-UHFFFAOYSA-N 270.354 0.611 10 10 CCCE CC[C@@H]1[C@@H](C(=O)O)CCN1C(=O)c1cc(O)nc(O)c1 690677364 IAVDHYTUTUFMTL-DTWKUNHWSA-N 280.280 0.818 10 10 CCCE NCc1ccc(N2C[C@@H]3C[C@H](C2)[C@H](O)[C@H]3O)cc1F 2126150076 HTETZAWAKLXYQZ-DJBIQUGXSA-N 266.316 0.462 10 10 CCCE CCc1cccc(CNCCc2nnnn2C)c1O 848899522 HBLPLCYMGZJCQX-UHFFFAOYSA-N 261.329 0.810 10 10 CCCE C[C@H]1CN(c2ccc3c(c2)OCO3)C[C@@H](CN)N1C 251622258 HRIFTUUCYNMZMQ-CMPLNLGQSA-N 263.341 0.883 10 10 CCCE CN1CCO[C@@H](C(=O)N2CCC[C@H](CN=[N+]=[N-])C2)C1 2131265899 JBZLSVMYWIEMLH-GHMZBOCLSA-N 267.333 0.866 10 10 CCCE CN(c1cc2c(cc1N)OCC(=O)N2)C(C)(C)C(N)=O 1915529395 QLSLAFIBDNVNNF-UHFFFAOYSA-N 278.312 0.300 10 10 CCCE CN(CCC(=O)Nc1ccc(N)cc1)[C@@H]1CCNC1=O 1916854912 VTXVTUNJLYFJES-GFCCVEGCSA-N 276.340 0.418 10 10 CCCE CC[C@H]1C[C@H]1NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 234071405 USQBHQIGCSINJC-GARJFASQSA-N 264.325 0.882 10 10 CCCE O=C(NCC1CC2(C1)OCCO2)c1cc(O)nc(O)c1 1943116876 QJZGMIFDNQXPGM-UHFFFAOYSA-N 280.280 0.376 10 10 CCCE CN(c1ccc(CN)cc1F)C1CS(=O)(=O)C1 1946845817 MPTSRZUMMPHKML-UHFFFAOYSA-N 258.318 0.518 10 10 CCCE CCOC(=O)[C@@]1(c2cc(O)nc(O)c2)CCNC1 1952376277 PFBLZZUSTPQZMK-LBPRGKRZSA-N 252.270 0.287 10 10 CCCE COC(=O)[C@@](C)(N)C1(c2cc(O)nc(O)c2)CC1 1952431745 ORUXFTLYTMCLTK-LLVKDONJSA-N 252.270 0.415 10 10 CCCE CC1(C)CN(S(=O)(=O)Cc2ccc(N)cc2)CC(=O)N1 2150469950 LKGLXLGQRLXJBP-UHFFFAOYSA-N 297.380 0.309 10 10 CCCE C[C@H]1CN(Cc2cc(N)ccc2O)CC[S@@]1=O 2004534698 KZTLLGCMKRCFFF-XYZCENFISA-N 254.355 0.927 10 10 CCCE Cn1ccc(S(=O)(=O)NCCc2ccc(O)c(O)c2)c1 2148016211 NYEPSPWKDHFGSD-UHFFFAOYSA-N 296.348 0.957 10 10 CCCE NC[C@H]1C[C@@H](C(=O)NCCc2ccc(O)c(O)c2)CO1 2148016971 SOZYOWKNMKEQPW-GHMZBOCLSA-N 280.324 0.120 10 10 CCCE Cn1c(COc2ccc(N)cc2)cc(=O)n(C)c1=O 38055864 DWQNIBVXMVFXGU-UHFFFAOYSA-N 261.281 0.245 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC[C@H]2CCNC[C@H]2C1 2148936726 SEFWGPXSVNXQHO-KOLCDFICSA-N 277.324 0.564 10 10 CCCE COC(=O)CN(C)C(=O)CCOc1ccc(N)cc1 40301824 JANJUGDIXOTBFK-UHFFFAOYSA-N 266.297 0.669 10 10 CCCE C[C@@H](N)c1ccc(N2CCOC[C@@H]2C(=O)N(C)C)cc1 2155016361 FCOZXIVNTUFAQA-BXUZGUMPSA-N 277.368 1.000 10 10 CCCE [N-]=[N+]=NCCCN[C@@]1(C(=O)O)COCC1(F)F 2020378814 QLAGZGZVSIQLCV-SSDOTTSWSA-N 250.205 0.765 10 10 CCCE CN(C)c1ccc([C@@H](O)CS(=O)(=O)N(C)C)cc1 2028948488 HDORWHBGPJDMHQ-LBPRGKRZSA-N 272.370 0.677 10 10 CCCE C[C@H](NCC(F)(F)C(N)=O)c1cc(O)ccc1O 2029283981 ORDIMEBTNOTZJD-LURJTMIESA-N 260.240 0.869 10 10 CCCE CO[C@@H]1COC[C@H]1OC(=O)Cc1ccc(N)cc1 2030137962 JMXMZVRSQCQCEB-VXGBXAGGSA-N 251.282 0.768 10 10 CCCE COC[C@H](NCc1ccc(N(C)C)cc1)C(N)=O 2034940680 MXPJMRVXWXWHSP-LBPRGKRZSA-N 251.330 0.343 10 10 CCCE C[C@@H]1C[C@@H](N(C)C(=O)c2cccc(O)c2O)CN1 2037327456 DIDQMXUNARFDRA-RKDXNWHRSA-N 250.298 0.920 10 10 CCCE COC(=O)[C@@](C)(NCCN=[N+]=[N-])c1cncn1C 2038283241 SYGQKNRWTDNCMR-JTQLQIEISA-N 252.278 0.708 10 10 CCCE COc1ccc(N2C[C@H]3C[C@H]2[C@@H](O)[C@H]3O)c([N+](=O)[O-])c1 2160704697 SGYFTYNQUXANDZ-FFAVSVRISA-N 280.280 0.534 10 10 CCCE O=C(O)C[C@@]1(O)CCN(C(=O)c2cccc(O)c2O)C1 2160879744 XANGAUOWRRQBIQ-ZDUSSCGKSA-N 281.264 0.150 10 10 CCCE O=C1NC(=O)N2CCN(c3ccc(CO)c(Cl)c3)C[C@@H]12 2171304838 KHNDYGIWRBAWLD-NSHDSACASA-N 295.726 0.573 10 10 CCCE 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COc1ccc(N(C)CC(CO)CO)c(OC)c1 2219648538 BWKONEYEYDKEJV-UHFFFAOYSA-N 255.314 0.741 10 10 CCCE CN1CC(=O)N(CC(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])C1=O 2234170618 FUGBVRHGIIJDCB-YUMQZZPRSA-N 280.288 0.228 10 10 CCCE NC(=O)[C@]1(O)CCCN(c2ccc3c(c2)OCCO3)C1 2235098380 GNOMDXWPOKEJRD-AWEZNQCLSA-N 278.308 0.274 10 10 CCCE O[C@@H]1CN(c2ccc3c(c2)OCCO3)[C@@H]2COC[C@@H]12 2226762393 OQYNCPLZLWGULI-IJLUTSLNSA-N 263.293 0.654 10 10 CCCE O=C1CN(c2ccc3c(c2)CCO3)CCN1CCO 2226755279 RAEHFOIPEHZQNJ-UHFFFAOYSA-N 262.309 0.262 10 10 CCCE CN(C)C[C@@H]1C=CCN1c1ccc2c(c1)NC(=O)[C@H]2O 2239142911 WCWQXZTVSOYPEQ-FZMZJTMJSA-N 273.336 0.979 10 10 CCCE CSc1ncc(CNC(=O)N[C@H](CO)C(=O)O)s1 2256955292 LHDSNWFDEZHFAB-ZCFIWIBFSA-N 291.354 0.110 10 10 CCCE Cc1cc(N2CC[C@@](O)(CO)C2)ccc1[C@H](C)O 2257475326 HDKQDFDYYHSTAZ-FZMZJTMJSA-N 251.326 0.982 10 10 CCCE Cc1cc([C@H](C)O)ccc1N1CC[C@@H]1[C@H](O)CO 2258345463 ZAKIPWDJMJOHQE-ZLKJLUDKSA-N 251.326 0.980 10 10 CCCE C[C@@]1(CNC(=O)c2cc(O)nc(O)c2)CCC[C@@H]1O 2271296745 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N[C@@H](C(=O)NC[C@@H]1CCCO1)c1cccc(O)c1O 83483789 QADHWFUGDMAUIH-GZMMTYOYSA-N 266.297 0.393 10 10 CCCE COC[C@@](C)(CCO)NC(=O)c1cccc(O)c1O 275231222 DTRJFYNJHUSLDL-CYBMUJFWSA-N 269.297 0.615 10 10 CCCE CN1C[C@H]2CN(S(=O)(=O)Cc3ccc(N)cc3)C[C@H]2C1 687801902 BNHAKPUARFAFOZ-BETUJISGSA-N 295.408 0.592 10 10 CCCE NC(=O)CC(=O)NCc1ccc(N2CCC(O)CC2)cc1 1329428102 NEZBFROADIMKRS-UHFFFAOYSA-N 291.351 0.139 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3CCn4ccnc4C3)ccc21 62252953 PBVDSEVHOZMGHR-CYBMUJFWSA-N 269.308 0.855 10 10 CCCE CN1CCN(c2cc3c(cc2N)NC(=O)CC3)CC1=O 84197712 IJNMQDSMMFGKQS-UHFFFAOYSA-N 274.324 0.432 10 10 CCCE CN(CCCCC(=O)O)C(=O)c1cc(O)nc(O)c1 719383016 YGHCHFJQKYVATQ-UHFFFAOYSA-N 268.269 0.820 10 10 CCCE C[C@H]1CN(C(=O)c2cc(O)nc(O)c2)C[C@@]1(C)CO 694664224 KLQRXGRLRIAJTK-SDBXPKJASA-N 266.297 0.583 10 10 CCCE Nc1n[nH]c(CCNC(=O)/C=C\c2ccc(O)c(O)c2)n1 1298912251 JVDMSRWXLPYABP-RQOWECAXSA-N 289.295 0.170 10 10 CCCE COc1cccc(O)c1CN1CC[C@@H](CO)[C@H](N)C1 2122352847 SVNQCHLGTVMNTC-CMPLNLGQSA-N 266.341 0.542 10 10 CCCE CCOc1cc(CNCC(=O)O)ccc1N1CCNCC1 212026963 XEGCFKPDCULWBZ-UHFFFAOYSA-N 293.367 0.669 10 10 CCCE Nc1ccc(OCC(=O)N2CC3(CC[C@@H]3O)C2)cc1 2123113208 ZXLOSDWCLRFRON-LBPRGKRZSA-N 262.309 0.631 10 10 CCCE O=C(NCc1cc(O)ccc1O)c1cn(C2CC2)nn1 1637125838 DVPKLTPAQSPVLB-UHFFFAOYSA-N 274.280 0.954 10 10 CCCE [N-]=[N+]=NC1CCN(C(=O)Cn2nc(O)ccc2=O)CC1 1912153407 GQFUUIXBGPNBBZ-UHFFFAOYSA-N 278.272 0.250 10 10 CCCE CCOC(=O)[C@]1(NCCN=[N+]=[N-])C[C@H]2CN[C@@H](C2)C1 2126495526 LMPJUOPJUYUXMY-NHCYSSNCSA-N 267.333 0.960 10 10 CCCE N[C@@H]1CCCc2cc(N3CC[C@](O)(CO)C3)ccc21 2128274483 PCSRISANRMGTFT-HUUCEWRRSA-N 262.353 0.956 10 10 CCCE N[C@H]1CCc2cc(N3C[C@H]4NC(=O)O[C@@H]4C3)ccc21 2128323295 VWZQXIYSDMDSHJ-YNEHKIRRSA-N 259.309 0.930 10 10 CCCE CN1CCN(c2ccc3c(c2)CC[C@@H]3O)C[C@@H]1CO 2128321878 LIUBJFONUOBQHW-HIFRSBDPSA-N 262.353 0.779 10 10 CCCE Oc1ccc(CN2CCO[C@H]3CCNC[C@@H]32)cc1O 2129072321 QAGBLAAUUIQNDV-FZMZJTMJSA-N 264.325 0.661 10 10 CCCE COc1ccccc1N(C)C(=O)C1=C[C@@H](O)[C@H](N)C1 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262.313 0.400 10 10 CCCE O=C(NCCN1C(=O)CSC1=S)c1ccco1 49755391 CZMXHFFAEPQJAQ-UHFFFAOYSA-N 270.335 0.870 10 10 CCCE C[C@H](O)CN(CCO)c1ccc(CN)c(F)c1F 381166151 AFANVFJNAKSJOP-QMMMGPOBSA-N 260.284 0.603 10 10 CCCE CC[C@](C)(O)CNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 87018418 NFYFLEZZMJLBRQ-HZMBPMFUSA-N 282.340 0.245 10 10 CCCE O=C(N[C@H]1CCC[C@H]1CO)c1cc(O)nc(O)c1 231359560 WRSGBEXTJYFUDD-CBAPKCEASA-N 252.270 0.384 10 10 CCCE CC(=O)C(=O)COC(=O)Cc1ccc2c(c1)CCO2 808499666 HYDCMQLIUDOKOL-UHFFFAOYSA-N 262.261 0.865 10 10 CCCE CN(C)c1ccc(/C=C/CN2C[C@H](O)[C@H](O)C2)cc1 835028109 JIDOABKPNOPFHU-MRINAFOASA-N 262.353 0.803 10 10 CCCE COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CN(C)C(=O)N2)c1 830541443 YBGDEHAOJUMZAZ-GZMMTYOYSA-N 293.323 0.602 10 10 CCCE COc1ccc(CNC(=O)N[C@@H](C)[C@@H](C)N)c(O)c1 842003516 IGQYIVZYEJJJHJ-BDAKNGLRSA-N 267.329 0.936 10 10 CCCE NC(=O)N1C[C@@H]2C[C@H]1CN2Cc1c(O)cccc1F 1877022853 YTYJQKYOTSBFTG-IUCAKERBSA-N 265.288 0.869 10 10 CCCE Nc1ccc(CC(=O)N[C@H]2[C@H]3OCC[C@@H]3[C@H]2N)cc1 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CNC(=O)CCN(C)[C@@H](C)C(=O)Nc1ccc(N)cc1 234362151 MIPYGIJJEWRJOZ-JTQLQIEISA-N 278.356 0.664 10 10 CCCE C[C@@]1(O)CCN(c2cc3c(cc2N)OCC(=O)N3)C1 235428676 DHCSFSZMJUOIBD-CYBMUJFWSA-N 263.297 0.561 10 10 CCCE C[C@H](O)[C@@H]1CCN(c2ccc3c(c2)NC(=O)[C@H]3N)C1 252783253 WLJQIOPFFDBHEI-RWEMILLDSA-N 261.325 0.846 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NC[C@@]1(O)CCCOC1 1971052647 CDZXPYVRPZNWOE-AWEZNQCLSA-N 281.308 0.298 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@]1(CF)CCNC1 1971402446 XPAFWVLBHUNJAF-CYBMUJFWSA-N 268.288 0.458 10 10 CCCE C[C@]1(CNC(=O)Cc2ccc(O)c(O)c2)CCCN1 1971644417 QBSJJZKXMUZQEM-CQSZACIVSA-N 264.325 0.899 10 10 CCCE Nc1ccc(CN2C[C@@H]3C[C@H](O)[C@H](O)C[C@H]3C2)cc1 1972037762 DFMBDUKLHYFKLJ-NZBPQXDJSA-N 262.353 0.832 10 10 CCCE Nc1ccc(NC(=O)N2CC[C@@H](CS(N)(=O)=O)C2)cc1 2144395738 QZPLZONLASYSLU-SECBINFHSA-N 298.368 0.411 10 10 CCCE COCC[C@H]1CNCCN1C(=O)c1cccc(O)c1O 2144573755 NZXACQLXHUQWKE-JTQLQIEISA-N 280.324 0.548 10 10 CCCE Nc1cc2c(cc1N1C[C@@H]3C[C@@H](O)[C@H]3C1)CCC(=O)N2 2151403577 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O=C(c1cc(O)nc(O)c1)N1CC[C@@H]2NCC[C@H]2C1 311715566 OOMRZYSLLJSZAE-WPRPVWTQSA-N 263.297 0.317 10 10 CCCE COc1cccc(O)c1CNc1cnn(CC(N)=O)c1 2160735810 KKMYDWKZJSVNCH-UHFFFAOYSA-N 276.296 0.695 10 10 CCCE COCCNCc1ccc(N(C)[C@@H](C)C(N)=O)cc1 711061349 KLYJGNRTGGEBEB-NSHDSACASA-N 265.357 0.733 10 10 CCCE O=C(O)c1cc(O)ccc1NS(=O)(=O)c1cccnn1 711634701 XYYMYQMBUBZWAB-UHFFFAOYSA-N 295.276 0.681 10 10 CCCE Oc1ccc(CNC[C@@H]2C[C@H]3OCC[C@@H]3O2)c(O)c1O 2163196825 ARZFSRBFAHCKOR-ZMLRMANQSA-N 281.308 0.839 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC[C@@]2(CCNC2)C1 382149126 FLWYTJRIQNQXOP-CYBMUJFWSA-N 263.297 0.318 10 10 CCCE COCC1(O)CN(CCC(=O)Nc2ccc(N)cc2)C1 384141317 NJGBMKSWSXMYQN-UHFFFAOYSA-N 279.340 0.291 10 10 CCCE Nc1ccc(CC(=O)NCCc2cnccn2)cc1 389975190 UGSIOSMDGYOHTE-UHFFFAOYSA-N 256.309 0.960 10 10 CCCE CN1C(=O)CC[C@@H]1C(=O)Nc1ccc(O)c(O)c1 2063311544 WUHLFZXBGFYWFT-MRVPVSSYSA-N 250.254 0.657 10 10 CCCE CN1CCO[C@H]2CN(C(=O)c3cccc(O)c3O)C[C@@H]21 790887656 FNCAGQFDIHCKHO-JQWIXIFHSA-N 278.308 0.253 10 10 CCCE NC(=O)N1C[C@@H]2C[C@H]1CN2c1c(F)cc(CO)cc1F 2192279001 NLOKITOCYZQAOP-IUCAKERBSA-N 283.278 0.799 10 10 CCCE COC(=O)c1nc(=N[C@@H](C)c2ccccc2O)[nH]n1C 2192614395 ZBXDMOUXAAMAQW-QMMMGPOBSA-N 276.296 0.902 10 10 CCCE CNCc1ccc(N2C[C@@H]3C[C@H](C2)[C@H](O)[C@@H]3O)c(F)c1 2182555711 KLLPTIFOIFXXQQ-AGCIHXOGSA-N 280.343 0.723 10 10 CCCE Cc1nnc(CN(C)C(=O)c2cc(O)c(O)c(O)c2)o1 2188908696 FHHLKZFXYWJSJQ-UHFFFAOYSA-N 279.252 0.767 10 10 CCCE NC[C@@H]1C[C@@H]2CN(C(=O)c3cc(O)c(O)c(O)c3)C[C@@H]21 2188911797 FVBZHISWPCZRIH-IVZWLZJFSA-N 278.308 0.470 10 10 CCCE O=C(NCCO[C@@H]1CCOC1)c1cc(O)c(O)c(O)c1 2188913869 WMQNQQFHFUINDM-SECBINFHSA-N 283.280 0.339 10 10 CCCE C[C@H](N)c1ccc(N2CCNC(=O)[C@H]2C(N)=O)c(Cl)c1 2184136807 AIMPBZDEGRTYCR-WRWORJQWSA-N 296.758 0.150 10 10 CCCE CS(=O)(=O)N[C@H]1CCN(c2ccc3c(c2)CC[C@@H]3O)C1 2184740715 YLZNEBGMXLBLBK-FZMZJTMJSA-N 296.392 0.794 10 10 CCCE CS(=O)(=O)N1CC[C@@H](N2CCC[C@@H]2CN=[N+]=[N-])C1 2059060653 SWSLSTOMKYXJHL-NXEZZACHSA-N 273.362 0.795 10 10 CCCE C[C@@H]1C[C@@H](O)CN1C(=O)c1cc(O)c(O)c(O)c1 2068577110 LZJBBWQYVSJMRR-HTRCEHHLSA-N 253.254 0.399 10 10 CCCE C[C@H]1C[C@H](N)CN1C(=O)c1cc(O)c(O)c(O)c1 2068622319 WAOUMXUGCJAVPN-XPUUQOCRSA-N 252.270 0.365 10 10 CCCE CN(CC(C)(C)N)S(=O)(=O)Cc1ccc(N)cc1 2071727816 CHKJCWNEGLYGIG-UHFFFAOYSA-N 271.386 0.768 10 10 CCCE C[C@H](NS(=O)(=O)CCC(=O)O)c1ccccc1O 2072482527 UVZMECLOCBFKFT-QMMMGPOBSA-N 273.310 0.847 10 10 CCCE COCCN1C[C@H](O)[C@@H](N2CC[C@@H](CN=[N+]=[N-])C2)C1 2100658731 MVGMYMBXGFIXIM-SRVKXCTJSA-N 269.349 0.310 10 10 CCCE C[C@H](O)c1ccc(N2CC[C@@H](N3CC(O)C3)C2)cc1 2102519571 HTPYPKNHKHPJTH-SMDDNHRTSA-N 262.353 0.995 10 10 CCCE O=C(NCc1ccccc1O)[C@@]12CNC[C@H]1COC2 2104683997 YEZGRGYRAAWZII-SMDDNHRTSA-N 262.309 0.244 10 10 CCCE CS(=O)(=O)C[C@@H]1CCN(Cc2cc(N)ccc2O)C1 2087364578 MGQKMUOATJCJPT-SNVBAGLBSA-N 284.381 0.841 10 10 CCCE C[S@](=O)CC1CN(CC(=O)Nc2ccc(N)cc2)C1 2110346645 SMPDKWJPDPSXAJ-IBGZPJMESA-N 281.381 0.518 10 10 CCCE Nc1ccc(CCN2C[C@@H](CCO)[C@@H](CO)C2)cc1 2093501026 HLFZPQIOJHFGAW-ZIAGYGMSSA-N 264.369 0.734 10 10 CCCE O=C(CN1C[C@H](O)C(F)(F)C1)c1ccc(O)c(O)c1 2095735963 OQRLNFNYRLTAEA-NSHDSACASA-N 273.235 0.592 10 10 CCCE CCOC(=O)[C@](C)(CS(=O)(=O)CC)NCCN=[N+]=[N-] 2114115930 RFTXMHTZJJCWCS-JTQLQIEISA-N 292.361 0.643 10 10 CCCE CS(=O)(=O)[C@H]1CCC[C@H]1NC(=O)c1cccc(O)c1O 2206000149 MWJIOUMINTZVQV-KOLCDFICSA-N 299.348 0.793 10 10 CCCE COC(=O)C1(O)CN(c2ccc([C@@H](C)N)cc2C)C1 2232033683 PIKSGENVFBVAFE-SNVBAGLBSA-N 264.325 0.739 10 10 CCCE Nc1ccc(OCCC(=O)N[C@H]2CNC[C@H](F)C2)cc1 2234653706 LIJKNADBQJGJHA-ZYHUDNBSSA-N 281.331 0.854 10 10 CCCE COc1ccc(N2C[C@H]3OCCO[C@@H]3C2)c(C(=O)O)c1 2235955387 HFBRPOFVCYRFDG-CHWSQXEVSA-N 279.292 0.997 10 10 CCCE Cn1nccc(NCc2ccc(O)c(O)c2O)c1=O 2227219846 NLWSPQGFIJSPMJ-UHFFFAOYSA-N 263.253 0.509 10 10 CCCE Nc1ccc(NC(=O)NC[C@@]23CNC[C@H]2CCO3)cc1 2237811818 HBFQIKVRLQMRPO-YGRLFVJLSA-N 276.340 0.769 10 10 CCCE CC[C@@H](C)NCc1ccc(N2CC(O)(C(N)=O)C2)cc1 2240055645 CCPCNJAAAQIYSS-LLVKDONJSA-N 277.368 0.611 10 10 CCCE CC[C@]1(NCc2ccc(O)cc2O)CCNC1=O 2260436265 NJBCLRYSYSMUNP-ZDUSSCGKSA-N 250.298 0.856 10 10 CCCE CN(C)c1ccc(OC[C@@H]2CO[C@@H]3CNC[C@H]3O2)cc1 2279922496 SIZYEZUSJOCPGN-RBSFLKMASA-N 278.352 0.887 10 10 CCCE CC(C)[C@@]1(NC(=O)c2cccc(O)c2O)CCNC1=O 2296517047 YUSTVQGSNIHNAG-AWEZNQCLSA-N 278.308 0.742 10 10 CCCE NCc1cn(CCNC(=O)Nc2ccc(N)cc2)nn1 2287065684 PHMSPQVAGQCZOV-UHFFFAOYSA-N 275.316 0.141 10 10 CCCE COc1ccc(O)c(CN2CC[C@@H]3C(=O)NC[C@H]3C2)c1 368214334 FGPRDCKKVDWDPQ-AAEUAGOBSA-N 276.336 0.969 10 10 CCCE COc1ccc(CN2CCN3CCOC[C@@H]3C2)c(O)c1 1203620422 FBZBHZPGHCIFGC-ZDUSSCGKSA-N 278.352 0.917 10 10 CCCE [N-]=[N+]=NCCN[C@]1(C(=O)O)C[C@H]2[C@@H]3CC[C@@H](O3)[C@H]21 2310677322 KFDWAZXUFAANQY-ZCLKDUABSA-N 252.274 0.907 10 10 CCCE CN(CC1(O)CC1)C(=O)c1cc(O)c(O)c(O)c1 2317925351 OCWJQMFWAPJYQH-UHFFFAOYSA-N 253.254 0.400 10 10 CCCE CSc1cc(N2CC[C@@](O)(CO)C2)ccc1CN 2328535838 CXLGNJNJVIGPIY-ZDUSSCGKSA-N 268.382 0.801 10 10 CCCE CCOc1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2COC)cc1 2333689682 NLLFBSWLSZPQQK-MJBXVCDLSA-N 267.325 0.642 10 10 CCCE Oc1ccc(CNCc2nnn3c2CCC3)c(O)c1 2338966774 IHNSRAHZMTXELZ-UHFFFAOYSA-N 260.297 0.925 10 10 CCCE OCc1ccc(N2C[C@@H](O)[C@H](CO)C2)cc1C1CC1 2339161930 WDVHUGHIRVMFRZ-SWLSCSKDSA-N 263.337 0.846 10 10 CCCE C[C@@H]1NC[C@]1(NCc1ccc2c(c1)CCO2)C(=O)O 2349082098 PJNBWPGFNAYUMV-LKFCYVNXSA-N 262.309 0.526 10 10 CCCE O=C1NC2(CO1)CN(C(=O)c1ccc(O)c(O)c1)C2 2351836483 HVUYLODFOJMFSU-UHFFFAOYSA-N 264.237 0.032 10 10 CCCE O=C(N[C@H]1C[C@@]2(C(=O)O)C[C@@H]12)c1cc(O)c(O)c(O)c1 2356974941 HSZYEOVKDNXWPB-MREMCGJQSA-N 279.248 0.396 10 10 CCCE CN(Cc1ccc(O)cc1O)C[C@H]1CNCCO1 125362744 BVCCTWDKJIXNAS-GFCCVEGCSA-N 252.314 0.518 10 10 CCCE CN1CCN(C)[C@H](C(=O)NCc2ccccc2O)C1 1185262555 NUTXWXVCIZUWNG-LBPRGKRZSA-N 263.341 0.254 10 10 CCCE C[C@H](N)[C@@H]1CN(Cc2ccc(O)cc2O)CCO1 132531534 MOGRVWBDNKXFSM-ZANVPECISA-N 252.314 0.646 10 10 CCCE C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1nnn[nH]1 44924446 NCLGGBVDXULBPD-LLVKDONJSA-N 288.355 0.887 10 10 CCCE Nc1ccc(CS(=O)(=O)NCC2(O)CCCC2)cc1 87010426 HQWZUGRLGKIVTE-UHFFFAOYSA-N 284.381 0.993 10 10 CCCE CC(=O)C(=O)COC(=O)c1cccc([S@](C)=O)c1 808538303 MPVWBGAAVLAXKU-SFHVURJKSA-N 268.290 0.739 10 10 CCCE Cn1ncc([C@H](NN)c2ccc(N3CCCC3)cc2)n1 2163150031 QFBUYOWLAJLIQK-CQSZACIVSA-N 272.356 0.968 10 10 CCCE CN1CC(=O)N(CC(=O)NCc2c(O)cccc2F)C1=O 928710544 UPLRSWFAERADMS-UHFFFAOYSA-N 295.270 0.042 10 10 CCCE O=C(CN1CCCC1=O)NCc1c(O)cccc1F 928707855 DDBFTRNYSBOBFJ-UHFFFAOYSA-N 266.272 0.770 10 10 CCCE O=C1Nc2cc(N3CC([N+](=O)[O-])C3)c(Cl)cc2[C@@H]1O 1876147996 BOICDMPGTIDLNL-JTQLQIEISA-N 283.671 0.791 10 10 CCCE O=C(N[C@@H]1COC[C@@H]1F)[C@H]1CNc2ccccc2N1 1876140590 QLXVHTNNYYRJFF-XXILOJSOSA-N 265.288 0.746 10 10 CCCE CC1(C)NCC[C@@H]1NC(=O)COc1ccc(N)cc1 1876513571 GXUOYDBCWGUAKG-LBPRGKRZSA-N 263.341 0.904 10 10 CCCE COCCN(CCOc1ccc(N)cc1)C1COC1 1879142082 QUKLJEVAMKKEFE-UHFFFAOYSA-N 266.341 0.995 10 10 CCCE CNC(=O)C1(NCc2cc(OC)ccc2O)CCOCC1 895884662 MMPVDQAUAHXTMN-UHFFFAOYSA-N 294.351 0.786 10 10 CCCE C[C@]1(O)CCN(Cc2cc(N)ccc2O)C[C@@]1(C)O 1880702936 MXSNOZYFPPZUTM-UONOGXRCSA-N 266.341 0.682 10 10 CCCE CN1CCN(C)[C@@H](CNCc2c(O)cccc2F)C1 1964038484 HRIWAXPVLXIDNM-NSHDSACASA-N 267.348 0.867 10 10 CCCE CN(C)c1ccc(CNC(=O)[C@@H](O)CCN)cc1 83385167 OAAQGHUSADSRIM-LBPRGKRZSA-N 251.330 0.079 10 10 CCCE N[C@H](c1nnc(-c2nc[nH]n2)o1)c1cccc(O)c1O 83539916 AJEJJMGTCYEILG-ZETCQYMHSA-N 274.240 0.314 10 10 CCCE N[C@H](c1nnc(/C=C/C(=O)O)o1)c1cc(O)ccc1O 83578789 ULUCBYKTKZWBSR-UFFNRZRYSA-N 277.236 0.627 10 10 CCCE COCCOCc1nnc([C@H](N)c2ccccc2O)o1 83589084 YFLRRRANXAPNMP-GFCCVEGCSA-N 279.296 0.986 10 10 CCCE NC[C@H]1CN(c2ccc3c(c2)CCC(=O)N3)CCO1 84624615 GDLBDKSKYYXFFI-LBPRGKRZSA-N 261.325 0.735 10 10 CCCE CNCCOCCN(C)Cc1ccc(O)c(O)c1 706622131 SSRUSMFXBZLFMG-UHFFFAOYSA-N 254.330 0.766 10 10 CCCE COC[C@@]1(C(=O)NCc2ccccc2O)CNCCO1 710811012 RLGGDRTVHVIDGT-CQSZACIVSA-N 280.324 0.013 10 10 CCCE COCCNCc1ccc(N(C)[C@@H](C)C(N)=O)c(F)c1 711089365 JHHJJHHASNWBIO-JTQLQIEISA-N 283.347 0.872 10 10 CCCE Nc1ccc(NC(=O)N2CCOC[C@H]2CCO)cc1 694939690 PQZWYRAHYRWKCD-GFCCVEGCSA-N 265.313 0.884 10 10 CCCE C[C@@H](N)c1ccc(N2C[C@@H](O)C[C@@H]2CO)c(F)c1 698229312 QSRWYDNCFQJZGH-IEBDPFPHSA-N 254.305 0.777 10 10 CCCE CN(C)c1ccc(/C=C/CNC[C@H](O)C(=O)O)cc1 1332031980 FXZKBPTUFNNYDF-OOPCZODUSA-N 264.325 0.801 10 10 CCCE CCN=c1nc(C)[nH]c(=NCc2ccc(N)cc2)[nH]1 2117262802 COJLQWVFHDGYBE-UHFFFAOYSA-N 258.329 0.650 10 10 CCCE C[C@@H]1C[S@@](=O)CCN1CC(=O)Nc1ccc(N)cc1 2115318550 YYDLNNWCFDYIOC-DGIBIBHMSA-N 281.381 0.660 10 10 CCCE C[C@H](NC(=O)c1cccc(O)c1O)[C@H]1C[C@@H]1C(=O)O 2118316184 OQNHHIJIUFXAKL-ZQARSLAVSA-N 265.265 0.937 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@@H](CO)[C@@H](F)C2)cc1 2120621961 XLGYNGVKKLAPIR-JQWIXIFHSA-N 288.344 0.361 10 10 CCCE O=C1NCC2(CN(c3c(F)cc(CO)cc3F)C2)N1 2121184434 USZOWTHTANICRF-UHFFFAOYSA-N 269.251 0.329 10 10 CCCE Nc1ccc(OCC(=O)N2CC3(CC[C@H]3O)C2)cc1 2123113207 ZXLOSDWCLRFRON-GFCCVEGCSA-N 262.309 0.631 10 10 CCCE CC1(C)[C@H](O)[C@@H](O)CN1c1ccc(CN)c(F)c1F 2124801357 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COc1ccc(O)c(CNCCN2CC3(COC3)C2)c1 1967703053 LENROCWIVWWIJO-UHFFFAOYSA-N 278.352 0.823 10 10 CCCE C[C@@H](CO)N(C)S(=O)(=O)CCOc1ccc(N)cc1 122147945 YUYILUIVRMXJIO-JTQLQIEISA-N 288.369 0.290 10 10 CCCE CN(C)c1ccc(C=CC(=O)N[C@H]2COC[C@@H]2N)cc1 2149988430 QCWLJYSHMUAMFS-KBPBESRZSA-N 275.352 0.608 10 10 CCCE COC(=O)c1[nH]cnc1[C@H](N)Cc1ccc(O)c(O)c1 1952069779 IUNXMAJBMGRWRY-MRVPVSSYSA-N 277.280 0.850 10 10 CCCE O=C(O)[C@@H]1[C@@H]2CCCN(C(=O)c3cc(O)nc(O)c3)[C@H]21 2151010402 QSMRBRRIOLRVOW-WHGOUJPWSA-N 278.264 0.428 10 10 CCCE Nc1ccc(NC(=O)N2C[C@@H]3CS(=O)(=O)C[C@H]3C2)cc1 2144169373 MCMHPYUUTFVKFP-NXEZZACHSA-N 295.364 0.777 10 10 CCCE CN(C)CC[C@@H](NC(=O)Cc1ccc(N)cc1)C(=O)O 2144840100 MMBXSNGRWYJBPF-GFCCVEGCSA-N 279.340 0.332 10 10 CCCE CC(C)NC(=O)N(CC(N)=O)Cc1ccc(N)cc1 35366591 DJTMBQCRYFWXNS-UHFFFAOYSA-N 264.329 0.674 10 10 CCCE COc1ccccc1NC[C@H](O)CN1CCOCC1 37874571 LZUOIKFBLFFEAL-LBPRGKRZSA-N 266.341 0.800 10 10 CCCE NC(=O)COC(=O)c1ccn(-c2ccc(N)cc2)n1 41102165 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FNKWKUWTPJVWFX-RWMBFGLXSA-N 264.325 0.559 10 10 CCCE Cc1cccc(CNC(=O)[C@@H]2COC[C@@H]2N)c1O 2084062314 DILLMFLCORYJLD-MNOVXSKESA-N 250.298 0.291 10 10 CCCE C[C@H]1C[C@@H](C)NCCN1C(=O)c1cc(O)nc(O)c1 2108178748 PNVHYWGOXZNOCW-BDAKNGLRSA-N 265.313 0.705 10 10 CCCE CC(=O)c1ccc(O)c(CN2CC(S(C)(=O)=O)C2)c1 2095966790 RDBLPKKTZSZHJN-UHFFFAOYSA-N 283.349 0.824 10 10 CCCE COC[C@@H](NCc1cc(Cl)cc(OC)c1O)C(N)=O 2096071423 HKYLUEUYKDRCCI-SECBINFHSA-N 288.731 0.644 10 10 CCCE NC[C@H]1C[C@H](NC(=O)c2ccc(O)c(O)c2)CCO1 2097944765 GPHANDRZEAPKKD-NXEZZACHSA-N 266.297 0.334 10 10 CCCE CCS(=O)(=O)CC(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-] 2213583784 WNRLHVVPRGWLFJ-JGVFFNPUSA-N 260.319 0.769 10 10 CCCE COc1cc(N2CCO[C@@H](CN(C)C)C2)ccc1CO 2204544593 DJTVNSDFVOYXMY-AWEZNQCLSA-N 280.368 0.954 10 10 CCCE Nc1ccc(CC(=O)N[C@@H]2COC3(CCC3)[C@H]2O)cc1 2206480550 UKMZGCNTSDDSIL-OCCSQVGLSA-N 276.336 0.610 10 10 CCCE [N-]=[N+]=N[C@H]1CCC[C@H]1NC(=O)CCn1cnnn1 2218747242 UHHGVMZCPAFBJH-SFYZADRCSA-N 250.266 0.411 10 10 CCCE COc1ccc(N2CCOC[C@H]2[C@@H](O)CO)cc1 2219631593 NMGCACJOBRIMMS-STQMWFEESA-N 253.298 0.254 10 10 CCCE CN(CC1(O)CNC1)c1ccc2c(c1)CCCN2C 2271688899 KJVAYDFLLBDDCO-UHFFFAOYSA-N 261.369 0.840 10 10 CCCE NCc1ccc(N2CC[C@@](O)(CO)[C@@H](O)C2)c(Cl)c1 2225727166 GNJAYCLMWJPYHF-QWHCGFSZSA-N 286.759 0.093 10 10 CCCE O[C@@H]1CN(c2ccc3c(c2)COCC3)[C@@H]2COC[C@@H]12 2226713506 ORJYUYCNLJPIME-RBSFLKMASA-N 261.321 0.955 10 10 CCCE COc1ccc(N(C)[C@@H]2CCCNC2=O)c(CO)c1 2227712455 ZRGOGISTJXBFOT-CYBMUJFWSA-N 264.325 0.902 10 10 CCCE C[C@]1(CO)C=CCN1c1ccc2c(c1)NC(=O)[C@H]2O 2228873520 XROPAOFDVNNXRJ-GXTWGEPZSA-N 260.293 0.799 10 10 CCCE Cc1nnc(NS(=O)(=O)Cc2ccc(N)cc2)n1C 2272815481 GWXQKKFOUJIKNL-UHFFFAOYSA-N 281.341 0.648 10 10 CCCE Nc1ccc(CN2C[C@@H]3OC[C@@H](CO)O[C@H]3C2)cc1 2265121413 SLNXIPDAXDOHOO-RDBSUJKOSA-N 264.325 0.229 10 10 CCCE Cc1cc(N2CC3(CNS(=O)(=O)C3)C2)ccc1[C@H](C)O 2285178154 ZXGGFKOUELGIRT-NSHDSACASA-N 296.392 0.788 10 10 CCCE CN(CC(F)(F)F)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 40464064 JUAOALIPQYQKHX-QMMMGPOBSA-N 292.257 0.988 10 10 CCCE NCc1ccc(N2C[C@@H](O)[C@@H]3COC[C@@H]32)cc1Cl 2308660029 XIOYDOUOQBMELW-KGYLQXTDSA-N 268.744 0.995 10 10 CCCE CO[C@]1(CN)C[C@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)C1 2310173221 AJNDSINSXYUVBL-PBXXWZTNSA-N 254.330 0.006 10 10 CCCE C[C@@H](N)c1ccc(N2C[C@@H]3C[C@H]2[C@@H](O)[C@H]3O)cc1O 2329326304 NNZCBHNCEFKWBL-JFRHNTJCSA-N 264.325 0.342 10 10 CCCE Cc1cc([C@@H](C)O)ccc1N1C[C@@H]2C[C@H]1[C@H](O)[C@H]2O 2333979235 LKGFCMLGXQHUAV-PPTOVHHBSA-N 263.337 0.979 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)[C@H]2COC[C@H]2C(=O)O)C1 2338347483 IGUYAWKWGXUUJS-XHNCKOQMSA-N 268.273 0.492 10 10 CCCE C[C@H]1C[C@H](C(=O)N2CCc3cc(O)c(O)cc3C2)N1 2341203181 RLASIVWQDIPHAX-GZMMTYOYSA-N 262.309 0.733 10 10 CCCE Cn1cc([S@](=O)CC(=O)Nc2ccc(N)cc2)cn1 2341486822 ALVOAFMKKNWIIQ-LJQANCHMSA-N 278.337 0.749 10 10 CCCE C[C@@H](N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O)c1cc(F)ccc1O 2355673567 GFLNTSCLQPWSNP-IMWABMGISA-N 285.315 0.285 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CC[C@@H](O)[C@H]2CC[C@H]21 2357026677 ACSCYRJNYOSCOZ-IVZWLZJFSA-N 279.292 0.789 10 10 CCCE CC[C@H](CO)NS(=O)(=O)Cc1ccc(N)cc1 35599323 AEFQNETUNRJAMQ-LLVKDONJSA-N 258.343 0.459 10 10 CCCE C[C@H](NCCS(N)(=O)=O)c1ccc(N(C)C)cc1 37261823 JGIJUSHYLYNECH-JTQLQIEISA-N 271.386 0.692 10 10 CCCE CNC[C@H]1CN(Cc2ccc(O)cc2O)CCO1 125146353 XMEUJPYICXMLRG-LBPRGKRZSA-N 252.314 0.518 10 10 CCCE CCOC(=O)CS(=O)(=O)Nc1ccc(O)cc1 42534505 YSPAONYDKUTQDV-UHFFFAOYSA-N 259.283 0.697 10 10 CCCE O=C(N[C@H]1CCc2ncnn2C1)c1cccc(O)c1O 193066655 IKLWKWOVIIMQSV-QMMMGPOBSA-N 274.280 0.434 10 10 CCCE C[C@@H]1CN(C(=O)c2ccc(O)c(O)c2)[C@H](C)CN1 235357560 AZKMWEZOAXNMHG-RKDXNWHRSA-N 250.298 0.920 10 10 CCCE C[C@H](N)c1ccc(N2CCOC[C@@H]2C(N)=O)c(F)c1 723194760 GEGCNQYNNBKORA-QPUJVOFHSA-N 267.304 0.536 10 10 CCCE CN[C@H](C)[C@H]1CCCN(C(=O)c2cc(O)nc(O)c2)C1 721634243 UOMCLDBUYBELEB-ZJUUUORDSA-N 279.340 0.953 10 10 CCCE CN(Cc1ccc(N(C)C)cc1)C(=O)CCNC(=O)CO 905449382 UOSLSCGDZFGNCY-UHFFFAOYSA-N 293.367 0.210 10 10 CCCE COc1ccc(N2CC[C@H](N[C@H]3CNCCOC3)C2)cc1 925711906 FTRIQTGWGAEQIE-KBPBESRZSA-N 291.395 0.852 10 10 CCCE CC(=O)C(=O)COC(=O)[C@]1(CC(C)C)CCNC1=O 869734340 ZIJVVHQPWPPRAB-ZDUSSCGKSA-N 269.297 0.240 10 10 CCCE Nc1ccc(OCC(=O)N[C@@]2(CF)CCNC2)cc1 1876434098 LRVNDJPLAIJJGK-CYBMUJFWSA-N 267.304 0.465 10 10 CCCE C[C@H]1C[C@@H](NC(=O)COc2ccc(N)cc2)CCN1 1876523588 PGFVDNIKUIWPJA-JQWIXIFHSA-N 263.341 0.904 10 10 CCCE C[C@@]1(CNC(=O)COc2ccc(N)cc2)CCNC1 1876524066 UPUXTQOUBMHGTE-CQSZACIVSA-N 263.341 0.763 10 10 CCCE COc1cccc([C@@H]2C=C(C(=O)O)NC(=O)N2)c1O 76255685 MTOXEULVOSANDV-ZETCQYMHSA-N 264.237 0.723 10 10 CCCE CC[C@@H](N)C(=O)NCc1cc([N+](=O)[O-])ccc1O 83395070 MBVDFVYNECTKQI-SECBINFHSA-N 253.258 0.654 10 10 CCCE CC(=O)N[C@@H](C)[C@@H]1NCCc2cc(O)c(O)cc21 83725216 RITSIDLMLYKISH-CPFSXVBKSA-N 250.298 0.809 10 10 CCCE COC[C@H](C)CNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 41679506 PMTJACGLVKKNBY-KOLCDFICSA-N 282.340 0.366 10 10 CCCE CCOC(=O)[C@H](NCCN=[N+]=[N-])c1nnn(CC)n1 1892986308 BMCSULWJUQPJNI-SSDOTTSWSA-N 268.281 0.197 10 10 CCCE N[C@@H]1C[C@@H](C(=O)O)CN(c2ccc3c(c2)OCO3)C1 250014656 JGTJGCWKQVOHCH-RKDXNWHRSA-N 264.281 0.654 10 10 CCCE O=C(NC[C@@H]1CCC[C@@H]1C(=O)O)c1cc(O)nc(O)c1 89405819 APUMXAUSGNFBMV-CBAPKCEASA-N 280.280 0.724 10 10 CCCE CN1CCN(c2c(F)cc(CN)cc2F)[C@@H](CO)C1 699479516 SCKHWCURDRURIL-SNVBAGLBSA-N 271.311 0.536 10 10 CCCE COCCN(C(=O)c1cccc(O)c1O)[C@@H]1CCOC1 787849312 LWEOFDDMMYWCMW-SNVBAGLBSA-N 281.308 0.975 10 10 CCCE COC(=O)C1CN(C(=O)COc2ccc(N)cc2)C1 2117783091 YURUUVPUMJUBNM-UHFFFAOYSA-N 264.281 0.279 10 10 CCCE Nc1ccc(OCCN2CC3(CNC(=O)C3)C2)cc1 2119574122 DZZBSLNNGOAQJG-UHFFFAOYSA-N 261.325 0.470 10 10 CCCE CN1CCc2c1cc(O)c1c2C[C@](O)(CN)CCO1 212031916 NWBVJWLZYDJNBP-AWEZNQCLSA-N 264.325 0.399 10 10 CCCE CC(=O)N1C[C@H](CO)[C@H](c2cccc(O)c2O)C1 1614634478 LBVDFXLUPSRYJH-MWLCHTKSSA-N 251.282 0.652 10 10 CCCE CN(C[C@H](O)CO)C(=O)c1cc2cc(O)c(O)cc2s1 1623111224 CFVTXZMFADOVMC-QMMMGPOBSA-N 297.332 0.738 10 10 CCCE CCOC(=O)CC(C)(C)CC(=O)C(=O)C1(C(N)=O)CC1 1568735924 NZRPGDPUQUFONP-UHFFFAOYSA-N 283.324 0.760 10 10 CCCE CNCc1ccc(N2CCC[C@@H]2C(N)=O)c(F)c1 34824474 WUEWTVCZSSHAAU-GFCCVEGCSA-N 251.305 0.999 10 10 CCCE NC(=O)[C@H]1CC[C@@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C1 1637837079 LIVJBBKYCXQMHG-SNWDZSLASA-N 290.319 0.881 10 10 CCCE O=C(c1cc(O)cs1)N1CC(N[C@@H]2CCOC2)C1 1645425347 GMKDNAGGZMDXKP-MRVPVSSYSA-N 268.338 0.657 10 10 CCCE COC(=O)[C@]1(NCCN=[N+]=[N-])C[C@@H](C)NC[C@@H]1C 1912146536 SFPYRILXMLZULJ-NGZCFLSTSA-N 255.322 0.816 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NCCc1cn[nH]c1 1638017598 KNZOLUCDCIQZGW-UHFFFAOYSA-N 261.281 0.722 10 10 CCCE C[C@@H](CO)CS(=O)(=O)NCc1ccc(N(C)C)cc1 2127141827 IUCFXVHNGVDEJU-NSHDSACASA-N 286.397 0.800 10 10 CCCE O=C1N[C@@H]2CN(c3ccc4c(c3)CC[C@H]4O)C[C@@H]2O1 2128314770 KGXXSBCHTQQKFH-UPJWGTAASA-N 260.293 0.963 10 10 CCCE Nc1ccc(CC(=O)N2CCO[C@H](CO)C2)cc1 167702359 PISJUVGWGNGELK-LBPRGKRZSA-N 250.298 0.031 10 10 CCCE CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](CN)CO 2131464286 CEXXYNNVQNAANV-GFCCVEGCSA-N 265.357 0.278 10 10 CCCE CC(C)[C@](C)(CN)NC(=O)c1cc(O)c(O)c(O)c1 2132398965 BFYLNFHOPCPYFJ-ZDUSSCGKSA-N 268.313 0.907 10 10 CCCE CN[C@@H](C)C[C@H](C)NC(=O)c1cc(O)c(O)c(O)c1 2132403251 IOYXAFUAKFBJIE-YUMQZZPRSA-N 268.313 0.920 10 10 CCCE COCCNC(=N)NCCc1ccc(O)c(O)c1 1920805186 AVPWHBAKPDGTTG-UHFFFAOYSA-N 253.302 0.401 10 10 CCCE NC1CCN(c2n[nH]c(-c3cccc(O)c3O)n2)CC1 227293726 AZMAFQZAUKKONP-UHFFFAOYSA-N 275.312 0.810 10 10 CCCE O=c1[nH]nc2cc(NCc3ccccc3O)ncn12 228428530 YDSRXNGCASUQIL-UHFFFAOYSA-N 257.253 0.735 10 10 CCCE C[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CC[C@H]1N 1969610862 URSXSJPLDFBIQX-MWLCHTKSSA-N 264.325 0.836 10 10 CCCE Cc1cccc(CNC(=O)C2CC(O)(CN)C2)c1O 2139741372 KXKKUWVPNRBKKK-UHFFFAOYSA-N 264.325 0.417 10 10 CCCE COc1cc(N2CCN(C(N)=O)CC2)ccc1CN 2139701614 CZWWCALZXMSQHQ-UHFFFAOYSA-N 264.329 0.355 10 10 CCCE Oc1cc2c(cc1CNCCc1ncon1)OCO2 231795295 PUOVLVZEECMQBV-UHFFFAOYSA-N 263.253 0.836 10 10 CCCE O=C1CN(c2ccc([N+](=O)[O-])c(CO)c2)CCCN1 236508762 YWVMVVTVFFMGFB-UHFFFAOYSA-N 265.269 0.413 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1C[C@@H]2CNC[C@H]21 1971088410 FWIKTBHDKUWWAX-GMTAPVOTSA-N 262.309 0.364 10 10 CCCE C[C@@H]1CCN[C@H]1CNC(=O)Cc1ccc(O)c(O)c1 1971914996 ZHYQTPQBVTVSCX-KOLCDFICSA-N 264.325 0.755 10 10 CCCE C[S@@](=O)C1CN(C(=O)c2ccc(O)c(O)c2)C1 2004520683 BJWREECUUMIXQL-QGZVFWFLSA-N 255.295 0.301 10 10 CCCE Cn1cc(N)cc1C(=O)NCCc1ccc(O)c(O)c1 2148000306 NUGSAXWQAUBAGS-UHFFFAOYSA-N 275.308 0.991 10 10 CCCE CCCNC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)C1 2145830850 LJKZBHQVDZLJIZ-SNVBAGLBSA-N 279.340 0.955 10 10 CCCE C[C@@H](CC(N)=O)N(C)c1cc2c(cc1F)[C@H](O)C(=O)N2 2151340521 NXCDSFBJCMGORS-QTTZVWFDSA-N 281.287 0.511 10 10 CCCE COCCN(C(=O)c1ccc(O)c(O)c1)[C@H]1CCOC1 2152137425 OKOKWDNEQHLSHY-NSHDSACASA-N 281.308 0.975 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1C[C@H](O)CCO1 2154218578 BVPOWHXAHQCUOP-MNOVXSKESA-N 281.308 0.296 10 10 CCCE NCCCCCNC(=O)Cc1ccc(O)c(O)c1 2027486456 ZKJOREDJDJWICE-UHFFFAOYSA-N 252.314 0.886 10 10 CCCE Nc1ccc2c(ccn2C[C@@H]2CCS(=O)(=O)N2)c1 2029493244 KKAIYDQNNLAQHR-NSHDSACASA-N 265.338 0.915 10 10 CCCE CC(C)C(=O)NCCCNC(=O)c1ccc(O)c(O)c1 2158718482 MQAQZMFVUUHNAM-UHFFFAOYSA-N 280.324 0.990 10 10 CCCE CC[C@H](N[C@H](COC)C(N)=O)c1ccccc1O 2034942185 XHOHZECIFMWCAR-WDEREUQCSA-N 252.314 0.933 10 10 CCCE CO[C@]1(CO)CCN(C(=O)Cc2ccc(N)cc2)C1 402903012 IIILRYZPFVMIFB-CQSZACIVSA-N 264.325 0.421 10 10 CCCE NC1(CNC(=O)c2cc(O)nc(O)c2)CCCCC1 311490335 UJQOKUVFHQVNOM-UHFFFAOYSA-N 265.313 0.884 10 10 CCCE COc1ccc(N2CCC[C@](O)(C(N)=O)C2)c(N)c1 311851162 OTAAGIJSRIVPGR-CYBMUJFWSA-N 265.313 0.094 10 10 CCCE Nc1ccc(O)c(CNC(=O)[C@@H]2CO[C@H]3COC[C@@H]23)c1 2158076127 REUBEYZPCQKFSK-LOWVWBTDSA-N 278.308 0.252 10 10 CCCE NC(=O)[C@@]1(O)CCCN(C(=O)Nc2ccc(N)cc2)C1 312767977 LKPBMQFWPLGIIF-CYBMUJFWSA-N 278.312 0.113 10 10 CCCE CC1(C)CN(c2ccc3c(c2)NC(=O)[C@@H]3N)CC[S@@]1=O 2170967422 DRJMCHBVUSIZTI-ODXCJYRJSA-N 293.392 0.986 10 10 CCCE O=C(N[C@@H]1CCOC[C@H]1O)[C@@H]1CNc2ccccc2N1 707048564 MBXPEMSCPLNNOE-FRRDWIJNSA-N 277.324 0.159 10 10 CCCE NC(=O)CN(CCOC1CC1)Cc1ccc(N)cc1 711679345 DTNYDGPNEGNTKJ-UHFFFAOYSA-N 263.341 0.735 10 10 CCCE NCc1ccc(N2CC[C@H](NC(N)=O)C2)c(F)c1 690783995 LIBFFNQIKZKSEO-VIFPVBQESA-N 252.293 0.531 10 10 CCCE [N-]=[N+]=NCCCN1CCC(C(=O)NCCO)CC1 711909316 CGEVHRYOFIJUPS-UHFFFAOYSA-N 255.322 0.507 10 10 CCCE Oc1cc(CCNCc2ccc(O)c(O)c2O)[nH]n1 391360076 BXSRCEUFKDMSLN-UHFFFAOYSA-N 265.269 0.564 10 10 CCCE Nc1ccc(N2CCN(C[C@H]3CCC(=O)N3)C2=O)cc1 383625148 WOKLGRLVDPPPAK-LLVKDONJSA-N 274.324 0.789 10 10 CCCE COCCNCc1ccc(N2CC(C)(O)C2)c(C#N)c1 383950678 BJIRHOZVMDYCRG-UHFFFAOYSA-N 275.352 0.865 10 10 CCCE Nc1ccc(CCC(=O)NCCc2cc(O)n[nH]2)cc1 392868247 ZCBJXFWDGOQCMZ-UHFFFAOYSA-N 274.324 0.989 10 10 CCCE CN(C)c1ccc([C@H]2NC(C)(C)C(=O)NC2=O)cc1 388811478 VGLFNZLEYOILCW-LLVKDONJSA-N 261.325 0.818 10 10 CCCE C[C@](CC(=O)O)(NC(=O)c1cc(O)nc(O)c1)C(F)F 2172073206 HAYFYMNQLQOHRJ-LLVKDONJSA-N 290.222 0.721 10 10 CCCE COc1ccc(N2CC[C@@H](O)[C@H](CO)C2)c(N)c1 396924640 UOVQITWIOZGWRL-TVQRCGJNSA-N 252.314 0.457 10 10 CCCE CN(C(=O)CSCCC(N)=O)c1ccc(N)cc1 399435614 UAKQBGGUXUROQM-UHFFFAOYSA-N 267.354 0.840 10 10 CCCE COc1ccc(CNC(=O)C[C@@]2(O)CCOC2)c(O)c1 2062033830 HWFNZYOJIGTRDU-AWEZNQCLSA-N 281.308 0.559 10 10 CCCE CCN=c1[nH]ccc(=NCCOc2ccc(N)cc2)[nH]1 2173898478 UAZXXUUWVOMTGJ-UHFFFAOYSA-N 273.340 0.825 10 10 CCCE O=C(NCC1[C@H]2CS(=O)(=O)C[C@H]12)c1cccc(O)c1O 2174623410 FFNIPQAPHDPXAD-NXEZZACHSA-N 297.332 0.118 10 10 CCCE CC(C)c1nn2c(O)cc(CC(=O)O)nc2c1C(=O)O 2080930354 OTSURQIJZRWEAA-UHFFFAOYSA-N 279.252 0.884 10 10 CCCE CN(C)CCOCCNC(=O)c1cc(O)c(O)c(O)c1 2188867836 HQRZECZMQGDGHO-UHFFFAOYSA-N 284.312 0.111 10 10 CCCE O=C(N[C@@H]1CCN[C@@H]1C1CC1)c1cc(O)c(O)c(O)c1 2196368986 SQDDAJCDZQVTOK-BXKDBHETSA-N 278.308 0.674 10 10 CCCE CN(C)C[C@H]1CCN1C(=O)c1cccc(O)c1O 2042653996 UUNJABMLIDMNNU-SECBINFHSA-N 250.298 0.874 10 10 CCCE C[C@@H]([C@@H](NN)c1ccc(N(C)C)cc1)S(C)(=O)=O 2044733008 GZKQNZACLAMDRL-JOYOIKCWSA-N 271.386 0.690 10 10 CCCE C[C@]1(C(=O)C(=O)C[C@H]2C[C@H](N)C2)C[C@H](N)CCO1 2049783781 APLHBWSPBXUERA-VWMGYNLJSA-N 254.330 0.148 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)[C@@H]2NCC[C@@H]2C2CC2)C1 2049783710 ZQIAXMFEUYPKDP-UORFTKCHSA-N 250.342 0.640 10 10 CCCE COc1ccc([C@@H](C)N[C@H](CO)[C@H](C)O)c(O)c1 2053800836 RIPAPQDCANMZCZ-VDDIYKPWSA-N 255.314 0.793 10 10 CCCE COc1ccc(N2CC[C@@H](N)[C@H](CO)C2)c(F)c1 2058546689 ZZBVGRFMHXLTBI-JOYOIKCWSA-N 254.305 0.980 10 10 CCCE COc1ccc(N2CC(=O)N3CCOC[C@@H]3C2)c(N)c1 2185858797 RPEVOVPLNZKOOX-JTQLQIEISA-N 277.324 0.325 10 10 CCCE CN(c1ccc(N)cc1)S(=O)(=O)N1CCC[C@H]1CO 2105547032 IIIGHQYBCWNTIN-LBPRGKRZSA-N 285.369 0.407 10 10 CCCE CCN(C[C@@H](C)N)S(=O)(=O)Cc1ccc(N)cc1 2071567468 VUOOECBINVKDBY-SNVBAGLBSA-N 271.386 0.768 10 10 CCCE COc1ccc(N2CCNC[C@H]2C(=O)O)c(N)c1 2071586639 MFIXDVCDJWEIKO-NSHDSACASA-N 251.286 0.140 10 10 CCCE C[C@@H](NC(=O)C1(CN)COC1)c1ccccc1O 2072487126 TYKGNQNSBDIVJS-SECBINFHSA-N 250.298 0.545 10 10 CCCE C[C@@H](NC(=O)c1ccc(O)c(O)c1)[C@@H]1COCCO1 2103742381 MZRXBIJEQZREKX-PELKAZGASA-N 267.281 0.632 10 10 CCCE CN(C)C1(C)CN(c2ccc3c(c2)NC(=O)[C@@H]3O)C1 2104361154 OUKJTEWEXNYRIG-GFCCVEGCSA-N 261.325 0.812 10 10 CCCE COc1cccc(O)c1CN1C[C@H](OC)C[C@@H]1CN 2104437381 FMTPSUIRMVUABS-GHMZBOCLSA-N 266.341 0.949 10 10 CCCE C[C@H](N)c1ccc(N2C[C@H](O)[C@H](O)[C@H]2CF)cc1 2084799201 SDCSUUGXLPVEAP-OQCKYNKVSA-N 254.305 0.586 10 10 CCCE CS[C@H]1COC[C@@H]1NC(=O)c1cccc(O)c1O 2086376957 CFNCXVPLFJHEQM-WPRPVWTQSA-N 269.322 0.958 10 10 CCCE CN(C)c1ccc([C@H](N)[C@@H](O)c2cnnn2C)cc1 2106853174 NZTRDGODUWXCFI-STQMWFEESA-N 261.329 0.615 10 10 CCCE N[C@@H]1CC[C@@H](CNC(=O)Cc2ccc(O)c(O)c2)C1 2087728597 FEXDWBIMECIBPV-GHMZBOCLSA-N 264.325 0.884 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1C[C@@H](CO)C2(CC2)C1 2087798066 OMDUOILDYKIWJB-VIFPVBQESA-N 264.281 0.337 10 10 CCCE Nc1ccc(OC[C@H](O)CN2C[C@H](O)[C@H](F)C2)cc1 2092768763 UMURNAGNAIYPRC-RTXFEEFZSA-N 270.304 0.023 10 10 CCCE O=C1NCC[C@H]1CCn1ccc2c(c1=O)CNCC2 2094415271 RBVKREKTSZZGJP-NSHDSACASA-N 261.325 0.020 10 10 CCCE Nc1ccc(O)c(CN2CC[C@H]3CS(=O)(=O)C[C@H]32)c1 2094924937 VJODMJYGGKNDEX-JOYOIKCWSA-N 282.365 0.593 10 10 CCCE COC[C@@H](NCc1ccc2c(c1)CCCO2)C(N)=O 2096073700 SUFLRKBBXCIBOH-GFCCVEGCSA-N 264.325 0.602 10 10 CCCE CN[C@H](C1COC1)[C@H](O)c1ccc2c(c1)CCN2C 2121527753 VKIJANKQYXXPNR-HUUCEWRRSA-N 262.353 0.947 10 10 CCCE Nc1ccc(CC(=O)N[C@H]2COC3(CCC3)[C@H]2O)cc1 2206480549 UKMZGCNTSDDSIL-JSGCOSHPSA-N 276.336 0.610 10 10 CCCE COc1ccc(N2CC[C@](O)(CO)C2)c(F)c1F 2219768184 BTVZSLOUGQWPKZ-GFCCVEGCSA-N 259.252 0.907 10 10 CCCE CSCC1(NC(=O)c2cc(O)nc(O)c2)CC(N)C1 2230754964 KHOKBAIXMILYQX-UHFFFAOYSA-N 283.353 0.446 10 10 CCCE COc1ccc(N2[C@H]3CC[C@H]2[C@@H](O)[C@H](O)C3)c(CN)c1 2235956655 YSPCDOUBLRHRTF-BSLXNSKLSA-N 278.352 0.617 10 10 CCCE OC[C@@H]1NC[C@H]2CN(Cc3ccc(F)cc3O)C[C@@H]21 2227318555 UIINYBYEVDEKSA-DRZSPHRISA-N 266.316 0.543 10 10 CCCE COc1ccc(N2CCCC2(CO)CO)c(CO)c1 2227711232 NKKGGOCERQLYDI-UHFFFAOYSA-N 267.325 0.511 10 10 CCCE C[C@@H](O)c1ccc(N2CC[C@@H]2[C@H](O)CO)c([N+](=O)[O-])c1 2286208762 MLUWVGHFDUAWSU-XTWCZFFVSA-N 282.296 0.580 10 10 CCCE C[C@H](c1c(O)cccc1O)N(CCN)CCN(C)C 2265835437 GGDBRLYJFUGMNU-LLVKDONJSA-N 267.373 0.981 10 10 CCCE C[C@]1(CO)C=CCCN1C(=O)c1cc(O)c(O)c(O)c1 2279063611 IXVZNYRUJHZIMT-CQSZACIVSA-N 279.292 0.957 10 10 CCCE NCc1cc(F)c(N2CC[C@H](O)[C@@H](O)CC2)c(F)c1 2269149021 XTDIJVWOSRBUMG-RYUDHWBXSA-N 272.295 0.746 10 10 CCCE Cc1cc(N2C[C@H]3C(=O)NC(=O)[C@H]3C2)ccc1[C@@H](C)O 2285150126 SKEMMERNLGVOOJ-WQAKAFBOSA-N 274.320 0.757 10 10 CCCE NC(=O)C[C@H]1CCCN1CC(=O)c1ccc(O)c(O)c1 2285587083 ITAXYOGDMGSSFW-SNVBAGLBSA-N 278.308 0.620 10 10 CCCE OC[C@@]1(O)CCN(c2ccc(OC(F)F)cc2)C[C@H]1O 2295989846 VIKMWTLFXVRUEO-YPMHNXCESA-N 289.278 0.582 10 10 CCCE Cc1cccc(N2C(=O)NC(=O)C(=CNO)C2=O)c1C 2297534541 QDDQBMFGMDFTCI-UHFFFAOYSA-N 275.264 0.749 10 10 CCCE O=C(N[C@@H]1C[C@@H](CO)[C@H]2C[C@H]21)c1cccc(O)c1O 2329879570 ILYDWVQMZGIGBG-AYHFEMFVSA-N 263.293 0.845 10 10 CCCE OC[C@@H](O)CCCN1CCc2cc(O)c(O)cc2C1 2341191401 BFJOURLFNPIOJF-LBPRGKRZSA-N 267.325 0.589 10 10 CCCE CN(C[C@@H]1CCO1)c1ccc2c(c1)N(C)C(=O)[C@H]2N 2341216545 MSPUWOPPXXCLKG-GWCFXTLKSA-N 261.325 0.888 10 10 CCCE COc1ccc(N2C[C@H](C(N)=O)C3(CC3)C2)c(N)c1 2344327723 AKYYHNOJEABQHV-SNVBAGLBSA-N 261.325 0.979 10 10 CCCE CO[C@@H]1COCCN(C(=O)Cc2ccc(N)cc2)C1 2351607666 IYGGZXKPQQIYNT-ZDUSSCGKSA-N 264.325 0.685 10 10 CCCE C[C@H](Cc1ccc(O)c(O)c1)C(=O)NCCCO 170245238 YMLFDSFRJQUIMB-SECBINFHSA-N 253.298 0.775 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@H]2C[C@@H]3C[C@H]2C[C@H]3N)cc1 2357175862 KEEREESWXDDPDI-VTPLQMEGSA-N 295.408 0.814 10 10 CCCE CN1C(=O)NC(=O)/C(=C/c2ccc(O)c(O)c2)C1=O 34206394 KLGCHQXZEAOCAY-DAXSKMNVSA-N 262.221 0.189 10 10 CCCE COC(=O)CCNC(=O)c1ccn(-c2ccc(N)cc2)n1 36909013 JQYFZFGEIRDIRM-UHFFFAOYSA-N 288.307 0.747 10 10 CCCE COCC[C@H](NC(=O)c1ccc(O)c(O)c1)C(=O)O 234693441 ZGEQXHHPYLIIMU-QMMMGPOBSA-N 269.253 0.317 10 10 CCCE COc1ccc2c(c1)C(=O)NCCN2CC(=O)O 527430351 KOTBUWDWNHGRHH-UHFFFAOYSA-N 250.254 0.330 10 10 CCCE C[C@@H](c1ccccc1O)N1CCNC[C@H]1C(=O)O 251494553 DLSFXRLRAKISEI-ONGXEEELSA-N 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O=C(O)[C@H]1CN(Cc2ccc(O)c(O)c2)CCO1 86806130 HKWCKHJVYPSZRO-LLVKDONJSA-N 253.254 0.383 10 10 CCCE COc1ccc(O)cc1C(=O)OCC(=O)C(C)=O 808538961 MESQVVFULVCXEE-UHFFFAOYSA-N 252.222 0.716 10 10 CCCE COc1ccc(N2CCOC[C@]3(COCCN3)C2)cc1 2162630464 IWNAZMIAJBIGGV-OAHLLOKOSA-N 278.352 0.890 10 10 CCCE CCNC(=O)[C@@H]1CNCCN1c1ccc2c(c1)CCO2 2162649580 ZPIGXQNLTCGIDP-ZDUSSCGKSA-N 275.352 0.536 10 10 CCCE O=C(O)C1(O)CCN(Cc2ccc(O)c(O)c2)CC1 1890420943 JTVOUHAMENLYGU-UHFFFAOYSA-N 267.281 0.509 10 10 CCCE O=C(O)C1(O)CCN(Cc2ccc(O)cc2O)CC1 1890419582 ALNUMRNUGPPHAS-UHFFFAOYSA-N 267.281 0.509 10 10 CCCE Nc1ccc(O)c(CN2CCN3CCOC[C@H]3C2)c1 2129373250 MBPXKMWUEDKIKQ-CYBMUJFWSA-N 263.341 0.491 10 10 CCCE O=C(N[C@]12CCNC[C@H]1C2)c1cc(O)c(O)c(O)c1 1891124096 USCWGPCREDMXFA-OQPBUACISA-N 264.281 0.285 10 10 CCCE O=C(/C=C/c1ccc(O)c(O)c1)NCC[C@@]1(O)CCOC1 846443380 XOSGOOSZXSQQGV-TXTHVTMNSA-N 293.319 0.769 10 10 CCCE Cc1ccc(O)c([C@H](C)NC[C@@H](O)CS(C)(=O)=O)c1 927027275 SUNJNMYNYGPEOA-WDEREUQCSA-N 287.381 0.757 10 10 CCCE COc1ccc(N(CCCN)Cc2nnnn2C)cc1 697898658 QBUFRESQDYUJCI-UHFFFAOYSA-N 276.344 0.574 10 10 CCCE CCN1CCc2cc([C@@H](N)[C@H](O)C(=O)O)ccc21 1952442278 HILLFDAUHMZDIK-NEPJUHHUSA-N 250.298 0.514 10 10 CCCE CN1C(=O)CNC[C@H]1c1c(O)cccc1[N+](=O)[O-] 1952755099 MWFLRROFICAITJ-QMMMGPOBSA-N 251.242 0.403 10 10 CCCE CCS(=O)(=O)c1nnn(-c2ccc(N)cc2)c1N 62430745 AOGHHOMQKRPJKN-UHFFFAOYSA-N 267.314 0.225 10 10 CCCE O=C(c1cccc(O)c1O)N1C[C@H](O)CC(F)(F)C1 787840357 YACMMZCLKZUGFQ-SSDOTTSWSA-N 273.235 0.940 10 10 CCCE COc1ccc(CNC[C@@H]2C[C@@H](C(=O)O)CO2)c(O)c1 714030819 QKHTUBMQVAVSDI-PWSUYJOCSA-N 281.308 0.980 10 10 CCCE C[C@H](NCCc1nnn[nH]1)c1ccc(F)cc1O 95230126 OPWHUEBCVDECQO-ZETCQYMHSA-N 251.265 0.938 10 10 CCCE Nc1ccc(CC(=O)N2CCC[C@H](S(N)(=O)=O)C2)cc1 707441349 JJFFXHUZMNGPPJ-LBPRGKRZSA-N 297.380 0.091 10 10 CCCE COc1cc(N)c(N(C)[C@H](C)C(N)=O)cc1OC 711127612 MUHVSVNPBWSUJO-SSDOTTSWSA-N 253.302 0.596 10 10 CCCE NC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(O)c(O)c1 1300835999 VYZUKDBDHARKKT-VIFPVBQESA-N 264.281 0.117 10 10 CCCE COc1cccc(CNCCC2CS(=O)(=O)C2)c1O 1326159467 CGAINAZIHKKWMQ-UHFFFAOYSA-N 285.365 0.925 10 10 CCCE C[C@@H]1CC[C@@H](C(=O)O)N1C(=O)c1cc(O)nc(O)c1 2119489719 GZHASBWNDMLLFD-SVRRBLITSA-N 266.253 0.571 10 10 CCCE O=[N+]([O-])c1cc(N2CCOC[C@H]2CO)ccc1CO 2132055751 WNTMDJCEWATKIK-LLVKDONJSA-N 268.269 0.285 10 10 CCCE CC[C@@]1(C(=O)NCc2cccc(O)c2O)CCNC1=O 1347233337 IQGBZFBGNUAGGH-CQSZACIVSA-N 278.308 0.630 10 10 CCCE O=C(NCC1OCCCO1)c1cc(O)c(O)c(O)c1 2132398996 BIQMBIBLZIKPNQ-UHFFFAOYSA-N 269.253 0.296 10 10 CCCE CC1(C)OC[C@@H](NC(=O)c2ccc(O)c(O)c2)[C@H]1N 1911073911 NSKAWZOPCOWOOG-LDYMZIIASA-N 266.297 0.332 10 10 CCCE CN1CCO[C@H](CN2CCc3cc(CN)ccc32)C1 2133390894 DEWBIFMMHONAOL-AWEZNQCLSA-N 261.369 0.838 10 10 CCCE C[C@H]1CN(C[C@@H](O)COc2ccc(N)cc2)CCN1C 216453959 IUIXCXQHQDMDID-GXTWGEPZSA-N 279.384 0.644 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN(C(=O)CN2CCOCC2)C1 1912167998 AMROQGCARDKNNU-LLVKDONJSA-N 267.333 0.868 10 10 CCCE [N-]=[N+]=NC1CN(C(=O)[C@H]2CCCCS2(=O)=O)C1 1912186082 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O=C1NCCC[C@@H]1NC(=O)[C@@H]1CNc2ccccc2N1 229880365 YUSNFZJWHAZSMU-RYUDHWBXSA-N 274.324 0.287 10 10 CCCE C[C@@H](O)[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)C1 162445339 OXZKNRHRCXHEJQ-HTQZYQBOSA-N 252.270 0.336 10 10 CCCE C[C@]1(O)CCN(c2c(F)cc(CN)cc2F)C[C@@H]1O 1893339806 PFCCDPNOQCDJSD-AAEUAGOBSA-N 272.295 0.746 10 10 CCCE Cc1cccc(CNC(=O)[C@@H](N)CCN(C)C)c1O 2139760318 QRKGEWNQRBMJCA-LBPRGKRZSA-N 265.357 0.596 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CC[C@@H](O)[C@H](F)C1 1148582896 PSGOFVSSONTVPS-HTQZYQBOSA-N 271.244 0.348 10 10 CCCE COc1ccc(N2CCOC[C@@]2(CN)CO)cc1C 2141643092 PKSXIWVQHAHIRK-CQSZACIVSA-N 266.341 0.530 10 10 CCCE COC(=O)C(C)(C)NC(=O)COc1ccc(N)cc1 1876494084 VOCJSWHUFHHGSJ-UHFFFAOYSA-N 266.297 0.715 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@H]2C[C@@H](O)C2)cc1 1996768463 FNVHZUPXRJYRMQ-PHIMTYICSA-N 256.327 0.212 10 10 CCCE [N-]=[N+]=NCCCNC(=O)C1[C@H]2CS(=O)(=O)C[C@H]12 2006135464 YGQGUVZQPSURMI-BQBZGAKWSA-N 258.303 0.094 10 10 CCCE CN1CCOC[C@H]1C(=O)N1CCC(N=[N+]=[N-])CC1 2038243358 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2191746450 WYPNMZATVAIWMY-LLVKDONJSA-N 273.340 0.922 10 10 CCCE NC(=O)N1C[C@H]2C[C@H]1CN2CCOc1ccc(N)cc1 2192277430 FMOZINIPZGFLJN-NEPJUHHUSA-N 276.340 0.485 10 10 CCCE [N-]=[N+]=N[C@@H]1CCCN(Cc2nc(=N)[nH]c(=N)[nH]2)CC1 2099334269 USEDFRSBZOIKTJ-SSDOTTSWSA-N 263.309 0.362 10 10 CCCE COCCOC[C@H](NN)c1ccc(N(C)C)cc1 2044747438 DEQAEAGNSFJBEO-ZDUSSCGKSA-N 253.346 0.920 10 10 CCCE C[C@@H](O)c1ccc(N2CCNC(=O)[C@@H]2C(N)=O)c(Cl)c1 2184132649 QVBWGBSPZJFBFG-HQJQHLMTSA-N 297.742 0.183 10 10 CCCE COc1ccc(N2C[C@@H](OC)C[C@@H](O)C2)c(N)c1 2046666194 YKKVTHNERJASII-KOLCDFICSA-N 252.314 0.863 10 10 CCCE CN(CCC(N)=S)C(=O)c1cc(O)c(O)c(O)c1 2068617185 HFXHYSNBHGSFME-UHFFFAOYSA-N 270.310 0.552 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@@H]3C[C@H]3C2=O)cc1 2071731267 VIZRDUZMPJGDHJ-GXSJLCMTSA-N 266.322 0.577 10 10 CCCE COC[C@@H](ON)C(=O)N[C@H](C)c1ccccc1O 2072484634 QHOBOLMDQVLUTH-LDYMZIIASA-N 254.286 0.475 10 10 CCCE NC[C@@H]1CCCN1S(=O)(=O)CCOc1ccc(N)cc1 2191534762 DVNQCPRDXLLPLQ-LBPRGKRZSA-N 299.396 0.401 10 10 CCCE Cn1cnc(COC(=O)CCOc2ccc(N)cc2)n1 2197715443 RSSUKWLYMKHVFY-UHFFFAOYSA-N 276.296 0.910 10 10 CCCE CN(C)c1ccc(CN2C[C@H](N)[C@H]3COC[C@@H]32)cc1 2102142865 WMCGDIKNPAYNKS-ILXRZTDVSA-N 261.369 0.911 10 10 CCCE C[C@@H]1CCNC(=O)[C@H]1CNCc1cccc(O)c1O 2103040683 GCGCQHSYBVKOGK-KOLCDFICSA-N 264.325 0.960 10 10 CCCE Nc1ccc(CC(=O)N[C@@H]2C[C@]3(C(=O)O)C[C@H]23)cc1 2104722993 YQDAZEKXTMEWNN-JTNHKYCSSA-N 260.293 0.791 10 10 CCCE CNCc1cc(F)c(N2C[C@@H](O)C[C@H](O)C2)c(F)c1 2105075697 UUDRHEWWISLBNC-UWVGGRQHSA-N 272.295 0.616 10 10 CCCE Oc1ccc(-c2noc(COC3CNC3)n2)cc1O 2088566718 NMWZNDCXFFEDHA-UHFFFAOYSA-N 263.253 0.636 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)[C@@H]2Cc3nncn3C2)C1 2111425784 BGHBCVCVIJCRJT-DTWKUNHWSA-N 261.289 0.609 10 10 CCCE CO[C@@H]1COC[C@@H]1CNC(=O)Cc1ccc(N)cc1 2097870197 JAMSRONPZVDKOZ-WCQYABFASA-N 264.325 0.589 10 10 CCCE CCCNCc1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CO)cc1 2201032977 KKDDEFQUCPEMNN-SOUVJXGZSA-N 280.368 0.089 10 10 CCCE COc1cc(N2CC[C@H]3C[C@H]2[C@@H](O)[C@H]3O)ccc1CN 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O=C1NC(=O)[C@H](CCCNCc2ccc(F)cc2O)N1 2204733850 JXWNXUXZJRSVBH-JTQLQIEISA-N 281.287 0.609 10 10 CCCE Oc1ccc(CNCCN2CCCO2)c(O)c1O 2218695264 RROVFGCZRFBGMK-UHFFFAOYSA-N 254.286 0.530 10 10 CCCE COc1ccc(N2C[C@@H](O)[C@@H](CO)C2)cc1OC 2219640182 DFDZDHMOUQFSLD-MWLCHTKSSA-N 253.298 0.493 10 10 CCCE COC[C@@H](O)CN(C)c1ccc(OC)cc1CO 2220430114 QMCLXDIKZOZZAR-NSHDSACASA-N 255.314 0.631 10 10 CCCE COc1cc(N2C[C@H]3CCO[C@]3(CO)C2)ccc1CO 2239827839 KKLPJFVYOYPQIZ-DOMZBBRYSA-N 279.336 0.775 10 10 CCCE CN(Cc1cc(N)ccc1O)[C@@H]1COC2(COC2)C1 2270784030 GVUXCHKWBBKJGF-LBPRGKRZSA-N 264.325 0.964 10 10 CCCE CC[C@@H]1[C@H](O)CCN1c1ccc2c(c1)NC(=O)[C@H]2N 2273217440 XNBYEFGKWHKPCU-UPJWGTAASA-N 261.325 0.988 10 10 CCCE Cc1cc(CN)ccc1N1C[C@H]2CS(=O)(=O)[C@@H]2C1 2314954599 XBJYHHFBXCSKNG-WCQYABFASA-N 266.366 0.687 10 10 CCCE COc1ccc(N2C[C@H]3C[C@H](O)[C@@H](O)[C@@H]2C3)c(N)c1 2330371781 YEUMGNJYTSSYEO-AIUZOBBOSA-N 264.325 0.598 10 10 CCCE Nc1ccc(NC(=O)CN2C[C@@H]3C[C@H]2[C@H]3CO)cc1 2333103269 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CN(CCC(=O)Nc1ccc(N)cc1)S(C)(=O)=O 1913513824 HRQVRGFMIVJRIR-UHFFFAOYSA-N 271.342 0.489 10 10 CCCE CN(CC(=O)Nc1ccc(N)cc1)S(=O)(=O)C1CC1 1913787487 CBDWTYPRIPVNAD-UHFFFAOYSA-N 283.353 0.631 10 10 CCCE O=C(O)[C@H]1C[C@H](O)CN1Cc1cc(F)cc(F)c1O 2136129845 PUZVLTJMGDBFSK-WCBMZHEXSA-N 273.235 0.690 10 10 CCCE CO[C@H]1C[C@@H](C(=O)O)N(Cc2ccc(O)cc2O)C1 2136360328 RQENMFZZMWZHQG-QWRGUYRKSA-N 267.281 0.772 10 10 CCCE CN1CC[C@@H]2CN(C(=O)Cc3ccc(O)c(O)c3)C[C@@H]21 1624580410 GVJVORZKMLNIDD-NEPJUHHUSA-N 276.336 0.803 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3C[C@H](O)CC4(CC4)C3)ccc21 1926416595 SKCBNTRKDOEWGD-ZWNOBZJWSA-N 273.336 0.990 10 10 CCCE C[C@@]1(O)CCCN(C(=O)[C@@H](N)Cc2ccc(O)c(O)c2)C1 163159753 UIIZADIRUPKPDG-XHDPSFHLSA-N 294.351 0.341 10 10 CCCE CCOC(=O)c1noc([C@@H](N)Cc2ccc(O)c(O)c2)n1 168765767 PEYGFHKXLIPTDP-QMMMGPOBSA-N 293.279 0.900 10 10 CCCE Nc1ccc(CC(=O)N2C[C@H]3OCC[C@H]3C2=O)cc1 1876419147 BTFDHRUHHDTPFA-VXGBXAGGSA-N 260.293 0.585 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@H]2C[C@H]3CN[C@H]2C3)cc1 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CCCE CN(CC(CO)CO)c1ccc2c(c1)CC[C@@H]2O 2065083392 PWSIMWZFXZHYII-AWEZNQCLSA-N 251.326 0.703 10 10 CCCE COc1cccc(O)c1CNC1([C@@H](O)CO)CC1 2069762470 RYPLYGZVUOBLJH-LBPRGKRZSA-N 253.298 0.376 10 10 CCCE CN([C@@H]1CC[C@H]1N)S(=O)(=O)Cc1ccc(N)cc1 2071565307 KZMVAIZCZLQXER-VXGBXAGGSA-N 269.370 0.520 10 10 CCCE Nc1ccc(CCN2CC[C@@H]3C(=O)NC[C@@H]3C2)cc1 2100940251 GVBZWRJMYOBMLN-OCCSQVGLSA-N 259.353 0.879 10 10 CCCE N[C@@H]1CN(Cc2cc(F)cc(F)c2O)[C@@H]2COC[C@H]12 2102134205 HCJDZRJDOICKBM-YUSALJHKSA-N 270.279 0.828 10 10 CCCE C[C@@H](NC(=O)N1CCC[C@H]1CN=[N+]=[N-])S(C)(=O)=O 2082959234 LSCCNRLHZJFYEC-YUMQZZPRSA-N 275.334 0.861 10 10 CCCE O=C1[C@H]2CC[C@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 2103888456 MPLQFIJJSHYVKK-YUMQZZPRSA-N 262.265 0.544 10 10 CCCE Cc1cccc(CN2CCOCCS2(=O)=O)c1O 2084052680 OAIFQNLAIDOJTE-UHFFFAOYSA-N 271.338 0.863 10 10 CCCE NC(=O)C1(N)CCN(Cc2c(O)cccc2F)CC1 2104484461 ULVGTHIHKGPUQU-UHFFFAOYSA-N 267.304 0.310 10 10 CCCE O=C(O)[C@@]12COC[C@@H]1CN(Cc1ccccc1O)C2 2104691595 MARMFJLLJJCGKP-FZMZJTMJSA-N 263.293 0.925 10 10 CCCE CCn1cc([C@H](O)[C@H](NC)c2ccccc2O)nn1 2091863042 KSVDMATVHRVCOC-OLZOCXBDSA-N 262.313 0.998 10 10 CCCE CN(Cc1ccc(N)cc1)C(=O)CN1CCCC1=O 2092473487 UWGNVQYUPRFFAI-UHFFFAOYSA-N 261.325 0.850 10 10 CCCE CN1C(=O)[C@H](O)c2ccc(N3C[C@H](O)[C@H](F)C3)cc21 2092768046 MKKGNNNJWCAWMU-ADEWGFFLSA-N 266.272 0.215 10 10 CCCE CN(C)C(=O)[C@H]1COCCN1Cc1ccc(N)cc1 2098797062 VRCIKOKLXAUVKI-CYBMUJFWSA-N 263.341 0.558 10 10 CCCE CNCc1ccc(OC[C@H]2CCS(=O)(=O)N2)c(C)c1 2098794192 MCRKRKPXKRJKSN-GFCCVEGCSA-N 284.381 0.785 10 10 CCCE [N-]=[N+]=N[C@@H]1CCCN(S(=O)(=O)N2CC[C@@H](O)C2)CC1 2099337890 BCSLMNVHODLTAT-NXEZZACHSA-N 289.361 0.463 10 10 CCCE COc1cc(N2CCN3C[C@H](O)C[C@@H]3C2)ccc1CN 2204559439 PCSMLAWXSBNHSD-ZIAGYGMSSA-N 277.368 0.409 10 10 CCCE COc1ccc(N2CC[C@@](O)(C(N)=O)C2)c(F)c1 2219617652 SHSAATUQPDSOBR-LBPRGKRZSA-N 254.261 0.261 10 10 CCCE NCc1ccc(N2C[C@@H]3COC[C@@]3(CO)C2)c(F)c1 2226165101 YFXSEIORJBKRCP-RISCZKNCSA-N 266.316 0.730 10 10 CCCE Nc1ccc(N2C[C@@H]3[C@H]4C[C@@H]([C@H](O)[C@@H]4O)[C@@H]3C2)cc1 2228722509 PAWNAIFGRUYWOT-LACSLYJWSA-N 260.337 0.693 10 10 CCCE COC[C@@H]1[C@H](O)[C@@H](O)CN1c1ccc([C@H](C)O)cc1C 2240833539 OVDHQQSJBRTPKZ-PUPMMZHASA-N 281.352 0.605 10 10 CCCE CSc1ncc(CNC(=O)C[C@@H]2CNC[C@H]2O)s1 2256939732 IDWQDCWMADRRDH-VXNVDRBHSA-N 287.410 0.452 10 10 CCCE C[C@H](c1cc(O)ccc1O)N(C)CC1(O)CNC1 2259129052 AAVAUDWOZDTJOF-SECBINFHSA-N 252.314 0.425 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@H]2COC(=O)C2)cc1 2264158087 YUAIIJWLFTXFIW-JTQLQIEISA-N 270.310 0.004 10 10 CCCE Cc1cc(N2C[C@H]3C[C@H]2[C@H](O)[C@@H]3O)ccc1[C@H](C)N 2269651333 JNOIHLOJLIWOKU-VRLGFQJGSA-N 262.353 0.945 10 10 CCCE Cc1cc(N(C)[C@@H]2CC(=O)NC2=O)ccc1[C@H](C)O 2269681883 QYQSBLSUOADWCE-JOYOIKCWSA-N 262.309 0.900 10 10 CCCE CN(Cc1ccccc1O)C[C@@H]1CO[C@@H]2CNC[C@H]2O1 2279763614 VEQJCTBDFSIEDN-BPLDGKMQSA-N 278.352 0.580 10 10 CCCE NCc1ccc(N2C[C@@H]3C[C@H]2[C@H](O)[C@H]3O)c(Cl)c1 2308770519 ATYCEFHTWTXGQQ-WTFGDDLMSA-N 268.744 0.729 10 10 CCCE C[C@](O)(CO)CN1CCc2cc(O)c(O)cc2C1 2318675144 MPOBMXNQXJMNJV-CYBMUJFWSA-N 253.298 0.199 10 10 CCCE C[C@@H](c1c(O)cccc1O)N(CCO)CCC(=O)O 2342720882 ITFZHKKHMMXJKA-VIFPVBQESA-N 269.297 0.928 10 10 CCCE COc1cnc([C@@H](O)[C@H](N)c2ccccc2O)nc1 2352175417 DXMWHUFJPLFBBM-NEPJUHHUSA-N 261.281 0.924 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1C[C@H]2OC[C@H](CO)[C@H]2C1 2355692006 UJKHZOAHWAQDST-OPQQBVKSSA-N 279.292 0.177 10 10 CCCE Cc1cccc(N2C(=O)NC(=O)/C(=C\NO)C2=O)c1C 108749895 QDDQBMFGMDFTCI-RMKNXTFCSA-N 275.264 0.749 10 10 CCCE CCO[C@@H](CN)CC(=O)NCc1ccccc1O 302476838 QNOSYGXZHCLPNW-LLVKDONJSA-N 252.314 0.762 10 10 CCCE CN(CC(N)=O)c1c(F)cc(/C=C/C(=O)O)cc1F 62723205 DTFNXYITLNBQGV-NSCUHMNNSA-N 270.235 0.984 10 10 CCCE NC[C@@H]1[C@@H]2CC[C@@H](C2)N1C(=O)c1cc(O)c(O)c(O)c1 2356974837 DVEYGCYNCTYJQX-FKTZTGRPSA-N 278.308 0.755 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CC[C@@H]2C[C@H]1[C@H](O)[C@@H]2O 2357592687 MHLWROOHYULCDD-OSXSSCDZSA-N 279.292 0.054 10 10 CCCE C[C@@H]1C[C@H](CN)CN1C(=O)c1cccc(O)c1O 126724539 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928712718 XLBHIZLXNMXCTR-QMMMGPOBSA-N 266.272 0.626 10 10 CCCE C[C@@H]1CN(C)C[C@H](CNC(=O)c2ccc(O)c(O)c2)O1 697273426 NAKDCOPHUYFHRU-KOLCDFICSA-N 280.324 0.547 10 10 CCCE CCOC1CC2(C1)C[C@H]2C(=O)OCC(=O)C(C)=O 869929474 ZPVSVDKOYWHBIM-QUNCOHTASA-N 254.282 0.893 10 10 CCCE CN(Cc1ccccc1O)C(=O)NCCc1nnnn1C 772581282 ZDGRYNGSPFSLSW-UHFFFAOYSA-N 290.327 0.300 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@H](CO)[C@@H]1CCOC1 1137916569 QZBBFHCCRNDZDB-GHMZBOCLSA-N 281.308 0.154 10 10 CCCE Nc1ccc(NC(=O)CCN2C(=O)COC2=O)cc1 709059309 DQGFEGCFRAJGLH-UHFFFAOYSA-N 263.253 0.576 10 10 CCCE CN(C(=O)CCOc1ccc(N)cc1)[C@@H]1COC[C@H]1O 709189781 YWPVVMGULRUZMO-CHWSQXEVSA-N 280.324 0.256 10 10 CCCE C[C@H](O)CN(c1ccc2c(c1)NC(=O)[C@H]2N)C1CC1 691362622 WQZQBTBUFFFLDV-SDBXPKJASA-N 261.325 0.988 10 10 CCCE O=C(N[C@@H]1COCC[C@@H]1O)[C@@H]1CNc2ccccc2N1 710865904 BBEMGTZEGWZZMJ-XQQFMLRXSA-N 277.324 0.159 10 10 CCCE CN(CCN=[N+]=[N-])C(=O)[C@H](O)CNC(=O)OC(C)(C)C 1882297728 HGAVCLOJZMWPTD-MRVPVSSYSA-N 287.320 0.641 10 10 CCCE CC[C@@H]1[C@H](C(=O)O)CCN1C(=O)c1cc(O)nc(O)c1 690677368 IAVDHYTUTUFMTL-RKDXNWHRSA-N 280.280 0.818 10 10 CCCE O=C(N[C@@H]1COCCC1=O)c1ccc(O)c(O)c1 717222817 KIIPVMLSDZSWGK-MRVPVSSYSA-N 251.238 0.186 10 10 CCCE CCCN=c1nc[nH]c(=NCc2ccccc2O)[nH]1 2117084976 WBWCHAMOHZHRFC-UHFFFAOYSA-N 259.313 0.855 10 10 CCCE C[C@H](NC(=O)CCc1ccc(N)cc1)[C@@H](O)C(=O)O 2120318686 BCQFOZWVZYBUTG-QPUJVOFHSA-N 266.297 0.152 10 10 CCCE CN1CC[C@H](CNC(=O)c2cc(O)c(O)c(O)c2)C1 2132349195 AEVCKKKICYJKKU-MRVPVSSYSA-N 266.297 0.485 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H]2CCN[C@@H]2C1 2132404655 TZEUZYLUMOIVLQ-IONNQARKSA-N 264.281 0.237 10 10 CCCE CN[C@@H](C)c1ccc2c(c1)CCN2C[C@@H](O)CO 220331668 OCPCGRCWPMURHC-GXFFZTMASA-N 250.342 0.683 10 10 CCCE CN[C@@H](C)c1ccc(N2CC(C)(C(N)=O)C2)cc1O 1914215571 LSBPTWIMPNIPGB-VIFPVBQESA-N 263.341 0.984 10 10 CCCE CCn1nncc1S(=O)(=O)NCCCN=[N+]=[N-] 1912158195 WJWJWPZCVDRQRD-UHFFFAOYSA-N 259.295 0.277 10 10 CCCE CSCC[C@@H](NC(N)=O)C(=O)N1CC[C@@H](N=[N+]=[N-])C1 1912173177 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NCCN(CC(F)(F)F)C(=O)Cc1ccc(O)c(O)c1 2144030696 QYNUFBIXHUFWDR-UHFFFAOYSA-N 292.257 0.990 10 10 CCCE O=C(CNCc1cc2c(cc1O)OCO2)NC1CCC1 1964581256 IMWVMVQSEGJVEE-UHFFFAOYSA-N 278.308 0.879 10 10 CCCE CC(C)N(CCO)C[C@H](O)COc1ccc(N)cc1 42478172 KKJDITKVQZOODF-ZDUSSCGKSA-N 268.357 0.711 10 10 CCCE C[C@H](CN)[C@@H](F)C(=O)NCCc1ccc(O)c(O)c1 1968739436 QGEOXBTVEADILW-PRHODGIISA-N 270.304 0.689 10 10 CCCE CC(C)NCc1ccc(N2CCOC[C@@H]2C(N)=O)cc1 159014182 QUVOCUCFKBAKQD-CQSZACIVSA-N 277.368 0.875 10 10 CCCE CNC(=O)OC1CN(C(=O)CCc2ccc(N)cc2)C1 2146891677 PDLBORNQVOBOQR-UHFFFAOYSA-N 277.324 0.768 10 10 CCCE CN(CC(=O)Nc1ccc(N)cc1)Cc1cnnn1C 2156477856 HNXJFNRETKAPRO-UHFFFAOYSA-N 274.328 0.468 10 10 CCCE CN1C[C@H]2C[C@H]1CN(S(=O)(=O)Cc1ccc(N)cc1)C2 2160688591 CWYWKRIIKOAWKC-OCCSQVGLSA-N 295.408 0.735 10 10 CCCE CC[C@@H]1C[C@H](N)CN1C(=O)c1cc(O)nc(O)c1 2028475885 QGVAFPNAVJZHSN-DTWKUNHWSA-N 251.286 0.445 10 10 CCCE COc1ccc(N2C[C@H](O)[C@H](N(C)C)C2)c(N)c1 2029421859 IIMQEZFCAZFCTM-OLZOCXBDSA-N 251.330 0.389 10 10 CCCE C[C@H](N)Cc1cnc(Sc2nnc3nc[nH]n23)s1 2037824264 DMXWOLLKVTXIIU-YFKPBYRVSA-N 281.370 0.950 10 10 CCCE Cc1nccn(CC(=O)Nc2ccc(N)cc2)c1=O 311775603 WQLYFKYMVPWXLH-UHFFFAOYSA-N 258.281 0.773 10 10 CCCE CN1C[C@@H](NC(=O)CCc2ccc(N)cc2)CC1=O 311918309 TYKDHKPATPUXMT-LBPRGKRZSA-N 261.325 0.548 10 10 CCCE CCCN(CC(N)=O)C(=O)CCOc1ccc(N)cc1 312485600 JGUIWIMYHPGQKP-UHFFFAOYSA-N 279.340 0.762 10 10 CCCE C[C@H](CNC(=O)Cc1ccc(O)c(O)c1)[C@@H](F)C(=O)O 2161853269 PSJVRTXUOOVEFQ-JMCQJSRRSA-N 285.271 0.815 10 10 CCCE Nc1ccc(CC(=O)c2nnc3n2CCOC3)cc1 701525472 MYUNXECARCILIF-UHFFFAOYSA-N 258.281 0.816 10 10 CCCE COC[C@H](CN(C)c1ccc2c(c1)NC(=O)[C@@H]2N)OC 691270560 GWPKTGYRNMMFGT-GXFFZTMASA-N 279.340 0.736 10 10 CCCE CN(CCOCCO)c1ccc2c(c1)N(C)C(=O)[C@@H]2N 380224407 KCKYRIKOIOKEEM-CYBMUJFWSA-N 279.340 0.108 10 10 CCCE C[C@H](CN(C)C)OC(=O)[C@H](N)Cc1ccc(O)c(O)c1 380281164 BKESUPOGGUDTHM-MWLCHTKSSA-N 282.340 0.461 10 10 CCCE C[C@@H](O)CN(CCO)C(=O)CCc1ccc(N)cc1 382267172 BDCSVBQYKXPMAG-LLVKDONJSA-N 266.341 0.403 10 10 CCCE C[C@H]1[C@](NCCCN=[N+]=[N-])(C(=O)O)CCS1(=O)=O 386835905 QVRAKOKLNBHSCU-CBAPKCEASA-N 276.318 0.307 10 10 CCCE NCCn1cc(NC(=O)c2ccc(O)c(O)c2)cn1 388556032 YEMVFNKJMONCHT-UHFFFAOYSA-N 262.269 0.505 10 10 CCCE CCN[C@@H](C)[C@@H](C)NC(=O)c1cc(O)nc(O)c1 721632684 QIAJDFZVYGUEKT-JGVFFNPUSA-N 253.302 0.609 10 10 CCCE Nc1ccc(CCC(=O)NCCc2nc(=O)o[nH]2)cc1 392222820 LJYYWSDYCMANMN-UHFFFAOYSA-N 276.296 0.237 10 10 CCCE CC(=O)C(=O)COC(=O)CN(C)C(=O)OC(C)(C)C 808513913 PEFFWYMHLNKXHS-UHFFFAOYSA-N 273.285 0.555 10 10 CCCE CNCc1ccc(N2CCOC[C@@H](O)C2)c(C#N)c1 399987034 NMGOZOUCLSMGSE-ZDUSSCGKSA-N 261.325 0.475 10 10 CCCE C[C@H](O)[C@@H]1CN(CC(=O)c2ccc(O)c(O)c2)CCO1 2174174842 HDEUUSKMAIEBFY-XPTSAGLGSA-N 281.308 0.362 10 10 CCCE NC[C@@]12CN(C(=O)c3ccc(O)c(O)c3)C[C@@H]1CCO2 2175181057 FZECWEJGOKHAEV-IINYFYTJSA-N 278.308 0.288 10 10 CCCE O=C(NC[C@@H]1CCOC1)c1cc(O)c(O)c(O)c1 1148589613 DRYONXBJCRMSGW-ZETCQYMHSA-N 253.254 0.570 10 10 CCCE CC[C@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)CCN1C 2188868351 PTUTXMIEQPZCPB-JTQLQIEISA-N 280.324 0.970 10 10 CCCE CN(c1ccc2c(c1)CCC[C@H]2O)[C@@H]1CC(=O)NC1=O 2184683041 VQYXVWVXDWLTSG-CHWSQXEVSA-N 274.320 0.908 10 10 CCCE OCc1ccc(N2C[C@H]3C[C@H]2[C@H](O)[C@@H]3O)cc1Cl 2042551547 MOPHFSRXCVHZBZ-NZBQSGDWSA-N 269.728 0.763 10 10 CCCE CN1CCc2cc([C@@](C)(O)COCCN)ccc21 2044703462 UXHYAZLSEJINDG-AWEZNQCLSA-N 250.342 0.862 10 10 CCCE C[C@](O)(CO)CN(Cc1ccc(N)cc1)C1CC1 2049108049 GMOTVHHQCACCEK-CQSZACIVSA-N 250.342 0.977 10 10 CCCE CN(C[C@@H]1COCCN1)S(=O)(=O)Cc1ccc(N)cc1 2191540452 LHWNTZFLSFJQDP-CYBMUJFWSA-N 299.396 0.019 10 10 CCCE C[C@H](N)[C@@H]1CCN(c2cc3c(cc2N)OCC(=O)N3)C1 2191594002 CWCUKTDHWYAJTA-DTWKUNHWSA-N 276.340 0.773 10 10 CCCE CNCc1ccc(N2CCO[C@@H](CCO)C2)cc1 2052694507 SXEVTFIIOFVTCB-AWEZNQCLSA-N 250.342 0.994 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1C[C@H]1CO 2053937530 MSKIMDRKTFHGRH-UWVGGRQHSA-N 251.282 0.385 10 10 CCCE C[C@@]1(CN)CCCN1C(=O)c1cc(O)nc(O)c1 2062549502 FQIOHYPSOQODBJ-LBPRGKRZSA-N 251.286 0.446 10 10 CCCE C[C@@H](NC(=O)C1(O)CC(N)C1)c1ccccc1O 2072487020 SHUJMWBKJNFFBB-BGQFSCJGSA-N 250.298 0.422 10 10 CCCE COc1ccc(N2CCO[C@H]3COC[C@H]32)c(N)c1 2072515600 YCXHBDULLOZRBY-OLZOCXBDSA-N 250.298 0.881 10 10 CCCE C[C@@H](c1ccccc1O)N(CC(N)=O)CC(=O)O 2081014060 CFPMQLOVOUDUHQ-QMMMGPOBSA-N 252.270 0.325 10 10 CCCE Oc1cc2c(cc1CN[C@H]1CN3CC[C@H]1C3)OCO2 2102530325 JCCYYANFDQLSPL-ONGXEEELSA-N 262.309 0.915 10 10 CCCE Nc1ccc(CCN2CC[C@@H](N3CC(O)C3)C2)cc1 2102527517 LCPJRFXDKWDPBD-CQSZACIVSA-N 261.369 0.562 10 10 CCCE C[C@H](NC(=O)N1CCC[C@H](N=[N+]=[N-])C1)S(C)(=O)=O 2082958504 ACEYQCPPFUYJMO-SFYZADRCSA-N 275.334 0.861 10 10 CCCE CCOC(=O)C1(NCCN=[N+]=[N-])[C@H]2CC[C@H]1CNC2 2103884953 VOPWFYRNSJIZQC-UWVGGRQHSA-N 267.333 0.818 10 10 CCCE C[C@]1(N)CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 2087764551 VZRNLJHZTLJKMV-AWEZNQCLSA-N 264.325 0.980 10 10 CCCE CCOC(=O)[C@H](CCOCCOC)NCCN=[N+]=[N-] 2108933843 IYFIOAVAYSLFEB-JTQLQIEISA-N 274.321 0.871 10 10 CCCE C[C@@H]1C[C@@H]1N(CCO)c1ccc2c(c1)NC(=O)[C@@H]2N 2110789899 OPVQRKHDOYVDOJ-OXHMUOHRSA-N 261.325 0.846 10 10 CCCE CC(C)n1nnnc1CNCc1cccc(O)c1O 2113074087 ZKJDDVCECPLTTB-UHFFFAOYSA-N 263.301 0.955 10 10 CCCE C[C@H](N)c1ccc(N2CCN(C)C[C@@H]2CCO)cc1O 2202830220 KQVNUXCSHQVGAK-AAEUAGOBSA-N 279.384 0.915 10 10 CCCE CCn1c(O)nnc1NC(=O)c1cc(O)c(O)c(O)c1 2206344931 VMMOUMJKVWYNAZ-UHFFFAOYSA-N 280.240 0.373 10 10 CCCE COc1ccc(N2C[C@H](O)[C@H](N(C)C)C2)cc1F 2219611456 BHAMWMQKGRMQHD-NEPJUHHUSA-N 254.305 0.945 10 10 CCCE Nc1ccc(CCC(=O)N[C@@H]2CCC[C@@H](O)[C@H]2O)cc1 2232541014 AHIKGRAJFKPWPD-NFAWXSAZSA-N 278.352 0.592 10 10 CCCE O[C@H]1C[C@H](O)CN(c2ccc3c(c2)OCCCO3)C1 2226806992 DRDNTLAPPWPGMP-RYUDHWBXSA-N 265.309 0.780 10 10 CCCE COc1ccc(N2CC[C@@H](NC(C)=O)C2)c(CO)c1 2227708214 FXHAESSBUUAXNR-GFCCVEGCSA-N 264.325 0.902 10 10 CCCE COc1ccc(N2CC[C@H](C)[C@@H]2C(N)=O)c(CO)c1 2227710664 HSLUNLMBJDHGIL-TVQRCGJNSA-N 264.325 0.888 10 10 CCCE NCc1ccc(N2C[C@@H](CO)C[C@@H](CO)C2)c(F)c1 2228402006 ADQVRVZZJRNRCD-TXEJJXNPSA-N 268.332 0.712 10 10 CCCE NCc1ccc(N2CC(CN3CCNCC3)C2)cc1 2228592154 HDWJWCBISDZMHX-UHFFFAOYSA-N 260.385 0.487 10 10 CCCE CN[C@H](C)c1ccc(N(CC(N)=O)CC(N)=O)c(C)c1 2240826344 YYWKQJYHSVESAS-SNVBAGLBSA-N 278.356 0.052 10 10 CCCE CSc1ncc(CNC[C@H](O)CN(C)C)s1 2243768804 QXULNKUPMUVQKQ-QMMMGPOBSA-N 261.416 0.877 10 10 CCCE CNCc1ccc(N2CC[C@@H]2[C@@H](O)CO)c(C)c1 2258334832 AEQDMYFYAPFQGV-KGLIPLIRSA-N 250.342 0.646 10 10 CCCE O=[N+]([O-])c1cc(N2CC[C@H]2[C@@H](O)CO)ccc1CO 2270681262 VHDQLSLZKIAEJK-JQWIXIFHSA-N 268.269 0.019 10 10 CCCE COC(=O)C1(CS(=O)(=O)N2CC(N=[N+]=[N-])C2)CC1 2261279120 FKNRXLJZIBZTFO-UHFFFAOYSA-N 274.302 0.264 10 10 CCCE NCc1ccc(N2CC3(CNC(=O)CO3)C2)cc1Cl 2274017925 KYDQENJWALISOD-UHFFFAOYSA-N 281.743 0.504 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@]2(O)C[C@@H]2C1 2265192881 ZIDPQRAKFMHKGI-YGRLFVJLSA-N 263.293 0.624 10 10 CCCE CC(C)C[C@@H](NS(=O)(=O)Cc1ccc(N)cc1)C(N)=O 2279103177 GVXQVJPGJCMLJD-GFCCVEGCSA-N 299.396 0.588 10 10 CCCE Cc1cc(N2CCOC[C@@H]2C(N)=O)ccc1[C@H](C)N 2269650397 BPYZRUMKZBASDD-GXFFZTMASA-N 263.341 0.705 10 10 CCCE O[C@@H](c1ccc(N2CCNCC2)cc1)c1cnccn1 2286071091 IUBUQWPKEQNKOC-HNNXBMFYSA-N 270.336 0.968 10 10 CCCE NC[C@]12C[C@H]1CN(c1cc3c(cc1N)NC(=O)CC3)C2 2288266581 MCCZJGIRRCSQAL-BONVTDFDSA-N 272.352 0.939 10 10 CCCE CN1CC[C@H]1COC(=O)COc1ccc(N)cc1 2313840202 MGCIOEQDTYIWAZ-NSHDSACASA-N 250.298 0.895 10 10 CCCE NCc1cc(F)c(N2C[C@@H](O)[C@@H](O)[C@@H]2CF)c(F)c1 2333238812 FIPOAYBRXCCVBZ-UMNHJUIQSA-N 276.258 0.303 10 10 CCCE CCN(CCN=[N+]=[N-])C(=O)[C@H]1CC[C@H](C(=O)O)N1C 2337777079 QNTKUAOFSCJGEF-RKDXNWHRSA-N 269.305 0.693 10 10 CCCE O=S1(=O)CC[C@@H](N2CCc3cc(O)c(O)cc3C2)C1 2341214749 OHOOUFNFXWAXMV-LLVKDONJSA-N 283.349 0.643 10 10 CCCE CO[C@H]1CNC[C@@H](NCCc2ccc(O)c(O)c2)C1 2344401858 DDHVRMHHCSHICT-NWDGAFQWSA-N 266.341 0.607 10 10 CCCE N[C@@H]1CCCc2cc(N3C[C@@H]4C[C@H]3[C@H](O)[C@H]4O)ccc21 2356170365 CGMQTVNDKCUFJK-MNNDFKHZSA-N 274.364 0.953 10 10 CCCE C[C@@H](O)CN(CCO)CCOc1ccc(N)cc1 310888115 XNSOJXDITNXRCN-LLVKDONJSA-N 254.330 0.323 10 10 CCCE CC(CO)(CO)NCc1cccc(Br)c1O 128998016 RZVFKHCJMDCCGV-UHFFFAOYSA-N 290.157 0.988 10 10 CCCE CN1C[C@H](Nc2c(N)cccc2C(=O)O)CCC1=O 130426184 GMQQBBCZIQDVID-MRVPVSSYSA-N 263.297 1.000 10 10 CCCE O=C(NC[C@@H]1CCC[C@@H]1O)c1ccc(O)c(O)c1 226998191 CSONVUSDIKMGRI-UWVGGRQHSA-N 251.282 0.989 10 10 CCCE C[C@@H](NCc1ccc(O)c(O)c1O)C(=O)N(C)C 235201582 XVZHISJIBUHQGL-SSDOTTSWSA-N 254.286 0.370 10 10 CCCE C[C@H]1CCN(CC(=O)c2ccc(O)c(O)c2)C[C@@H]1O 230274354 HMMROHLDOJKWGZ-ZANVPECISA-N 265.309 0.983 10 10 CCCE C[C@]1(O)CCN(c2ccc3c(c2)CC[C@@H]3N)C[C@@H]1O 1893303477 ZMNLCSURRLQMKW-KKUMJFAQSA-N 262.353 0.955 10 10 CCCE CCN(CC(N)=O)c1ccc(/C=C\C(=O)O)cc1C#N 379851360 QENPVFSKAZLBML-XQRVVYSFSA-N 273.292 0.968 10 10 CCCE O=C(O)C[C@H](NC(=O)c1ccc(O)c(O)c1)C(F)F 725077213 NZXUQBGFCJAABC-LURJTMIESA-N 275.207 0.936 10 10 CCCE CN1CCN(C)CC(C(=O)N(C)Cc2ccccc2O)C1 906991299 MBMIZNNWRMZUDE-UHFFFAOYSA-N 291.395 0.844 10 10 CCCE Nc1ccc(NC(=O)[C@@H](O)C2CCOCC2)cc1 843292588 MXDPUELJRZUYJL-LBPRGKRZSA-N 250.298 0.995 10 10 CCCE CN1C[C@H](C(=O)NCc2c(O)cccc2F)CC1=O 928712717 XLBHIZLXNMXCTR-MRVPVSSYSA-N 266.272 0.626 10 10 CCCE CC(C)(CNS(C)(=O)=O)NC(=O)c1cc(O)cs1 928857513 HYQNBGULXXYMHZ-UHFFFAOYSA-N 292.382 0.511 10 10 CCCE CCO[C@@H]1CS(=O)(=O)C[C@@H]1N(C)Cc1ccc(N)cc1 697074232 JQQRFJXMMFBEGA-UONOGXRCSA-N 298.408 0.903 10 10 CCCE CC(=O)C(=O)COC(=O)[C@H]1CNC(=O)c2ccccc21 860415599 NCCXCOBGLJDUEO-NSHDSACASA-N 275.260 0.215 10 10 CCCE CC(=O)C(=O)COC(=O)[C@H](C)Cn1ccc(C)n1 869989024 YGWWGOVDVALRLD-MRVPVSSYSA-N 252.270 0.529 10 10 CCCE CO[C@@H]1COC[C@H]1NC(=O)N1Cc2cccc(O)c2C1 875688643 USBSRTMYODBCOL-DGCLKSJQSA-N 278.308 0.831 10 10 CCCE CC(=O)C(=O)COC(=O)c1c(C(F)F)nc2cnccn12 885503022 FDWOOIHVZQRMCR-UHFFFAOYSA-N 297.217 0.982 10 10 CCCE O=C(NCCC1CS(=O)(=O)C1)c1cccc(O)c1O 787452144 QTYCEYNGRQTNOL-UHFFFAOYSA-N 285.321 0.262 10 10 CCCE CCOCCOCC(=O)OCC(=O)c1ccc(O)c(O)c1 783286004 PGDOYGWINJVLDJ-UHFFFAOYSA-N 298.291 0.877 10 10 CCCE C[C@@H](C(N)=O)N1C[C@@H](C)Nc2cc3c(cc21)OCO3 76928828 YBZBUXZNGISXRL-SFYZADRCSA-N 263.297 0.910 10 10 CCCE N[C@@H](C(=O)NC[C@@H]1CCCO1)c1cc(O)ccc1O 83483797 FCMMFMPDRWMKLQ-JOYOIKCWSA-N 266.297 0.393 10 10 CCCE Cc1cccc([C@@H](N)c2nnc(CC(=O)O)o2)c1O 83458164 NDOFYJNTLBZNQW-SNVBAGLBSA-N 263.253 0.759 10 10 CCCE CNCCCNC(=O)[C@H](N)c1cccc(OC)c1O 83495151 RCJMEXCLYAMBEF-LLVKDONJSA-N 267.329 0.126 10 10 CCCE C[C@H](NCc1cc(Br)ccc1O)[C@@H](O)CO 705187181 VPWOIIXRSFHVDI-CPCISQLKSA-N 290.157 0.986 10 10 CCCE CO[C@@H]1C[C@@H]1C(=O)N(CC(N)=O)Cc1ccc(N)cc1 690068530 GUNJZDAPQWZDNH-NWDGAFQWSA-N 277.324 0.118 10 10 CCCE CN(C(=O)c1cc(O)nc(O)c1)[C@H]1C[C@H]2CN[C@@H](C2)C1 709416589 DOCSXTSLGKQCRD-LSJOCFKGSA-N 277.324 0.705 10 10 CCCE Cc1ccc(O)c(CNC(=O)Cc2nc3ncccn3n2)c1 1167291096 UFBNEAWHQWBAQN-UHFFFAOYSA-N 297.318 0.997 10 10 CCCE Cc1cccc(CN2CC[C@]3(CNC(=O)N3)C2)c1O 2121193717 YIHWLIPRLHIFLR-AWEZNQCLSA-N 261.325 0.958 10 10 CCCE O=C(N[C@H]1CCCNC1=O)c1c(F)ccc(O)c1O 1183509409 TVBDVSRAAHYHDQ-ZETCQYMHSA-N 268.244 0.245 10 10 CCCE O=C1Nc2cc(N3C[C@@H]4COC[C@H]43)c(F)cc2[C@H]1O 2129726302 NOZFCVJFOHTWCG-JPWUCKPDSA-N 264.256 0.646 10 10 CCCE C[C@H](CNC(=O)c1cc(O)c(O)c(O)c1)N1CCC1 2132407492 PRBSQMGDKFSRPY-MRVPVSSYSA-N 266.297 0.627 10 10 CCCE CS(=O)(=O)N1CC[C@@H](N2CCC(N=[N+]=[N-])CC2)C1 1912194104 SKEHZVRMLVBECV-SNVBAGLBSA-N 273.362 0.795 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCN(C[C@@H]2CCS(=O)(=O)N2)C1 1912187815 KCHDUBRGAAQFSM-IUCAKERBSA-N 259.335 0.310 10 10 CCCE CN(C)CCCN(C)C[C@H](O)COc1ccc(N)cc1 111131016 LCNSESGERTVTGU-AWEZNQCLSA-N 281.400 0.892 10 10 CCCE CC(=O)C(=O)[C@H](O)[C@@H](C)CNC(=O)OC(C)(C)C 1919237933 ZKGXGECTOZNLRH-IONNQARKSA-N 259.302 0.666 10 10 CCCE CCOc1ccc(N2CC(=O)N(C)[C@@H](CN)C2)cc1 216997432 FEIOOTUJFSAYEN-LBPRGKRZSA-N 263.341 0.691 10 10 CCCE Nc1ncc2c(n1)CN(C(=O)c1cccc(O)c1O)CC2 1629490681 VHEQVBQWBONGGX-UHFFFAOYSA-N 286.291 0.669 10 10 CCCE O=C1CC[C@H](C(=O)NCc2cc(O)ccc2O)CN1 1558174584 PEUVRIWFWAQEBD-QMMMGPOBSA-N 264.281 0.240 10 10 CCCE OC[C@@H](C[C@@H]1CCCO1)NCc1ccc(O)c(O)c1O 1926744095 RUCKQRRFADMQBF-MNOVXSKESA-N 283.324 0.823 10 10 CCCE CN1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1=O 1567894579 JDMYDXLJRWCWSP-SNVBAGLBSA-N 289.295 0.810 10 10 CCCE CCCNC(=O)CNC(=O)[C@@H]1CNc2ccccc2N1 229877461 AUPVMMVEAZGEEM-LBPRGKRZSA-N 276.340 0.535 10 10 CCCE O=C1CN(C(=O)[C@@H]2CNc3ccccc3N2)CCCN1 229882232 NVWJPAVERNQTRC-LBPRGKRZSA-N 274.324 0.241 10 10 CCCE Cc1cc(CNC(=O)Cc2ccc(O)c(O)c2)n(C)n1 1640210667 LCAUYKYESLKYRB-UHFFFAOYSA-N 275.308 0.999 10 10 CCCE Cc1cccc(CNC(=O)[C@H]2CCOC[C@@H]2N)c1O 2139760460 AAXSQDZFXWYGKB-RYUDHWBXSA-N 264.325 0.681 10 10 CCCE Cc1cc(=O)oc2c(CN[C@H](CO)C(=O)O)c(O)ccc12 16039864 IYOFCNNMOBCILN-SNVBAGLBSA-N 293.275 0.342 10 10 CCCE Oc1ccc(CNCCN2CCOCC2)c(O)c1 19954121 YPUVLNLEZBTVLS-UHFFFAOYSA-N 252.314 0.520 10 10 CCCE O=C(Nc1n[nH]c(CCCO)n1)c1cc(O)c(O)c(O)c1 1865876582 UNLAJPSLCOUWTD-UHFFFAOYSA-N 294.267 0.099 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCC1(F)CC1 2141383631 PLNLRUMXOMCDLK-VIFPVBQESA-N 268.288 0.586 10 10 CCCE COc1ccc(N2CCOC[C@]2(CN)CO)cc1C 2141643091 PKSXIWVQHAHIRK-AWEZNQCLSA-N 266.341 0.530 10 10 CCCE CN(CC(=O)O)c1cc2c(cc1[N+](=O)[O-])OCCO2 19868311 JSQAXQAZGQLIKX-UHFFFAOYSA-N 268.225 0.887 10 10 CCCE Cn1cnc(CNC(=O)[C@@H]2CNc3ccccc3N2)n1 236131804 YUJPSAVUOMVPEV-NSHDSACASA-N 272.312 0.338 10 10 CCCE COC1(CCNC(=O)Nc2ccc(N)cc2)CNC1 1876166011 VOUZEIULBHFFAX-UHFFFAOYSA-N 264.329 0.769 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1C[C@H]2CS(=O)(=O)C[C@H]2C1 2144167638 TUUCFZSWCUGCEA-AOOOYVTPSA-N 297.332 0.214 10 10 CCCE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)NCCN=[N+]=[N-] 1882298797 XOQFMBSPSLBOCF-YUMQZZPRSA-N 287.320 0.687 10 10 CCCE COC(=O)[C@@H](O)CN1CCc2cc(N(C)C)ccc21 1883115960 XBGWEBWLYSHDKX-ZDUSSCGKSA-N 264.325 0.649 10 10 CCCE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)NCCN=[N+]=[N-])C1 1886140470 FPYAKKBVPJFLKE-LBPRGKRZSA-N 299.331 0.785 10 10 CCCE C[C@H](CS(=O)(=O)N(C)C)NCc1cccc(F)c1O 1967713498 ODRVMQRCGDJEGH-SECBINFHSA-N 290.360 0.901 10 10 CCCE CN(C(=O)Cc1ccc(O)c(O)c1)[C@H]1CCNC1 1969337837 MFSZDQQEVRWXAC-JTQLQIEISA-N 250.298 0.461 10 10 CCCE Nc1ccc(-n2ccc(C(=O)OC[C@H](O)CF)n2)cc1 2150024140 KGSFEEQFWWEQOZ-LLVKDONJSA-N 279.271 0.942 10 10 CCCE N[C@@H]1CN(C(=O)c2cccc(O)c2O)[C@@]2(CCOC2)C1 2154521070 VRRNOZQYMUQBHO-XPTSAGLGSA-N 278.308 0.430 10 10 CCCE C[C@H](NS(=O)(=O)[C@@H](C)CO)c1ccccc1O 2017521287 PUGFFAYTAHKTHY-IUCAKERBSA-N 259.327 0.753 10 10 CCCE O=C1NCCC[C@@H]1NCc1cc2c(cc1O)OCO2 50395534 LWISDICVVSRVCP-VIFPVBQESA-N 264.281 0.489 10 10 CCCE COc1cccc(CN[C@H]2COC[C@H]2CO)c1O 2029843900 IXSOIMRBKCGOMD-MNOVXSKESA-N 253.298 0.498 10 10 CCCE CC(=O)N[C@H]1CCCN(C(=O)c2cccc(O)c2O)C1 186965466 NNUDBJPRSOWJKX-JTQLQIEISA-N 278.308 0.839 10 10 CCCE C[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)[C@H]1C(=O)O 2038183861 UPKNJTFSZQNMHI-MLUIRONXSA-N 252.226 0.038 10 10 CCCE O=C(c1cccc(O)c1O)N1CCN(CCF)CC1 402988395 LFXISGRSCDNDRU-UHFFFAOYSA-N 268.288 0.825 10 10 CCCE CCNC(=O)C[S@@](=O)CC(=O)N(C)c1ccc(N)cc1 312216232 VKRRSUORMOINBG-HXUWFJFHSA-N 297.380 0.116 10 10 CCCE NCc1cc(C(=O)Nc2ccc(O)cc2C(=O)O)no1 704306449 JOWYAPNVKHASRY-UHFFFAOYSA-N 277.236 0.789 10 10 CCCE COCCNCc1ccc(N(C)[C@H](C)C(N)=O)c(F)c1 711089367 JHHJJHHASNWBIO-SNVBAGLBSA-N 283.347 0.872 10 10 CCCE CN(Cc1nncn1C)C(=O)CCc1ccc(N)cc1 380460258 HCJRRPODRVMWRV-UHFFFAOYSA-N 273.340 0.989 10 10 CCCE C[C@@H](N)c1ccc2c(c1)CCN2CCS(=O)(=O)N(C)C 383590334 REEXZCCDGWWJPT-LLVKDONJSA-N 297.424 0.960 10 10 CCCE CN(C(=O)CN1C[C@H]2C[C@@H](O)[C@H]1C2)c1ccc(N)cc1 2177182784 DFAZXPOHSNALDI-LERXQTSPSA-N 275.352 0.687 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3CC(=O)N[C@@H](C)C3)ccc21 387226512 HUXVHOJXLYIHAI-SDBXPKJASA-N 274.324 0.224 10 10 CCCE O=C(O)[C@@H]1[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@H]21 721656427 XPGUZNRLINIVIS-SOCHQFKDSA-N 278.264 0.286 10 10 CCCE CN(CC(N)=O)c1cc2c(cc1Cl)[C@@H](N)C(=O)N2 723171515 RPQFFFMCWNTXQG-SNVBAGLBSA-N 268.704 0.213 10 10 CCCE CN1CCCc2cc(CNCc3nnn(C)n3)ccc21 398058397 FECDHDGIQBCTPS-UHFFFAOYSA-N 272.356 0.882 10 10 CCCE CNC(=O)CCCNCc1cc2c(cc1O)OCO2 398343017 FDGYJFJNGACVIV-UHFFFAOYSA-N 266.297 0.737 10 10 CCCE C[C@@H]1OCC[C@@H]1C(=O)NCc1c(O)cc(O)cc1O 2064401500 KWFZYACAAFQWSI-CBAPKCEASA-N 267.281 0.845 10 10 CCCE NC(=O)[C@@H]1CCCC[C@H]1NCc1ccc(O)c(O)c1O 2174105888 DKUILTJHPOPAGV-NXEZZACHSA-N 280.324 0.937 10 10 CCCE [N-]=[N+]=NCC1(CNC(=O)[C@@H]2CCCN(C(N)=O)C2)CC1 2174351992 PDCQULMVSUAYBB-SECBINFHSA-N 280.332 0.984 10 10 CCCE OCc1cc(F)c(N2C[C@@H]3OC[C@@H](CO)[C@@H]3C2)c(F)c1 2178086791 NPMRXHCQWJHVIZ-NRUUGDAUSA-N 285.290 0.901 10 10 CCCE CS(=O)(=O)[C@H]1C[C@@H](CNC(=O)c2ccc(O)c(O)c2)C1 2192323922 GZUNLNINOZPNKY-WAAGHKOSSA-N 299.348 0.651 10 10 CCCE CN(CC(=O)c1ccc(O)c(O)c1)C1COCCOC1 2188044302 SFGWPYVKHCBOPO-UHFFFAOYSA-N 281.308 0.628 10 10 CCCE C[C@](O)(CNC(=O)c1cc(O)c(O)c(O)c1)C(F)(F)F 2188868383 QICJTTVVYVLSRN-JTQLQIEISA-N 295.213 0.847 10 10 CCCE O=C(O)[C@@H]1C=CCCN1C(=O)Cc1ccc(O)c(O)c1 2182404149 HRMAMXCWNGIMQV-JTQLQIEISA-N 277.276 0.882 10 10 CCCE COc1cccc(O)c1CNCC1(CO)COC1 2042579473 OKTOBJMXTLYSFV-UHFFFAOYSA-N 253.298 0.499 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)CC2CC3(CNC3)C2)C1 2049783351 VCECBQNGEDYETK-HOMQSWHASA-N 250.342 0.642 10 10 CCCE C[C@@H](O)[C@@H]1CN(Cc2cc(N)ccc2O)CCO1 2053850664 YMPYAQHYYZKNAI-RNCFNFMXSA-N 252.314 0.556 10 10 CCCE NN[C@H](c1ccccc1O)C1[C@@H]2CS(=O)(=O)C[C@@H]12 2054214098 YREPWKBURLGUBZ-KBVBSXBZSA-N 268.338 0.187 10 10 CCCE COc1cccc(CN[C@H]2CCNC(=O)C2)c1O 2066264286 ZOYLHXXADXPAEB-JTQLQIEISA-N 250.298 0.769 10 10 CCCE CN(C)c1ccc(CNC2([C@H](O)CO)CC2)cc1 2069746012 WWWYSDHVMGFBPQ-CYBMUJFWSA-N 250.342 0.728 10 10 CCCE COCC1(C(=O)OC)CN(c2ccc(N)cc2)C1 2071614826 MDDMKJRHMLVEJR-UHFFFAOYSA-N 250.298 0.895 10 10 CCCE CN(Cc1ccc(N)cc1)[C@@H]1COC[C@@H]1C(=O)O 2076895353 MANRZAPGPBZIQT-NWDGAFQWSA-N 250.298 0.800 10 10 CCCE CN(CCCN=[N+]=[N-])C(=O)N[C@@H]1CCS(=O)(=O)C1 2077271883 ZDSRNTOWEWGNBX-MRVPVSSYSA-N 275.334 0.515 10 10 CCCE C[C@]1(O)CCN(c2ccc(CO)cc2F)C[C@@H]1O 2077306160 VMNZFEHOABNNSK-STQMWFEESA-N 255.289 0.640 10 10 CCCE O=C(O)[C@H]1C[C@H](O)CN1Cc1ccc(O)cc1O 2080548373 CSNNZHPRDRSCPZ-VHSXEESVSA-N 253.254 0.118 10 10 CCCE Oc1ccc(CN[C@@H]2CO[C@@H]3COC[C@H]23)c(O)c1O 2101876443 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O=c1c2c(ccn1C[C@H]1CCCS1(=O)=O)CCNC2 2094405642 WNDKPOSCOITDFT-LLVKDONJSA-N 282.365 0.071 10 10 CCCE C[C@@H](N[C@@H]1CC(=O)NC1=O)c1ccc(N(C)C)cc1 2096084162 NQQCDSXHCMFSJO-BXKDBHETSA-N 261.325 0.818 10 10 CCCE Nc1ccc(CC(=O)NC[C@@H]2COCCCO2)cc1 2097713560 NMZPYTSJPNSGNE-CYBMUJFWSA-N 264.325 0.733 10 10 CCCE CN(C(=O)c1ccc(O)c(O)c1)[C@]1(CN)CCOC1 2098954091 MHRHUMUEGPTMIB-ZDUSSCGKSA-N 266.297 0.288 10 10 CCCE [N-]=[N+]=N[C@H]1CCCN(CC(=O)N2CCNC2=O)CC1 2099335410 YPKJCFMCTAGNSS-VIFPVBQESA-N 266.305 0.703 10 10 CCCE COc1cc(N)c(N2CC[C@H](O)C[C@@H]2CO)cc1OC 2200831722 BPCOXSBOZWJKFX-ZJUUUORDSA-N 282.340 0.608 10 10 CCCE [N-]=[N+]=N[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ncc[nH]1 2213588911 CQEBRBPNSDMLKW-RQJHMYQMSA-N 256.291 0.919 10 10 CCCE C[C@H](NC(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-])S(C)(=O)=O 2218741005 AXGIOIDYZSUOBO-GJMOJQLCSA-N 275.334 0.908 10 10 CCCE COc1ccc(N2C[C@@H](F)[C@H](CO)C2)c(CN)c1 2220415685 UADMBTNNCWKKGF-CMPLNLGQSA-N 254.305 0.921 10 10 CCCE COC1CN(S(=O)(=O)Nc2c(C)cc(O)cc2C)C1 2231212413 CLTKWANUFAHQLO-UHFFFAOYSA-N 286.353 0.996 10 10 CCCE O[C@@H]1[C@H]2C[C@@H]([C@H]1O)N(c1ccc3c(c1)OCCCO3)C2 2235127011 NLUYZJPDOVUMOL-YZENIEGJSA-N 277.320 0.778 10 10 CCCE CO[C@@H](CNC(=O)c1cc(O)c(O)c(O)c1)CSC 2225795006 KDYSRAOCXHGCNP-QMMMGPOBSA-N 287.337 0.911 10 10 CCCE CNC[C@@]1(O)CCCN(C(=O)Cc2ccc(N)cc2)C1 2286328543 ZVLZFABCVGRNER-HNNXBMFYSA-N 277.368 0.384 10 10 CCCE COc1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CF)c(F)c1 2312394240 JEGLUXFPOKNQNV-TUAOUCFPSA-N 259.252 0.714 10 10 CCCE C[C@@H](O)c1ccc(N2C[C@@H]3C[C@H]2[C@@H](O)[C@H]3O)cc1O 2329329270 SPWYMPWYCQYZSD-JFRHNTJCSA-N 265.309 0.376 10 10 CCCE C[C@@H](N[C@@H]1CS(=O)(=O)C[C@H]1O)c1cc(F)ccc1O 2330863260 ATMNIMMFZJXGJJ-NYRNMGCKSA-N 289.328 0.340 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N3CC[C@@H]4C[C@]4(O)C3)cc21 2355179261 FYTBZPDLJGFHOI-DVJZZOLTSA-N 273.336 0.624 10 10 CCCE C[C@H](O)CN(C)[C@@H](C)C(=O)Nc1ccc(N)cc1 51816747 MNVNTRLEJXXIJQ-UWVGGRQHSA-N 251.330 0.908 10 10 CCCE CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CNC(=O)C1 173196639 BFQNIJIXDSOFIY-SNVBAGLBSA-N 289.335 0.614 10 10 CCCE CN1C(=O)C[C@H](NCc2c(O)cccc2Cl)C1=O 127340081 AFDKELGAUNSIDW-VIFPVBQESA-N 268.700 0.893 10 10 CCCE CCCNC(=O)CN(C)CC(=O)N(C)c1ccc(N)cc1 49026097 OZVNBPJAWXOFES-UHFFFAOYSA-N 292.383 0.690 10 10 CCCE CN1C(=O)CC[C@@H](NCc2cccc(O)c2O)C1=O 90026377 DUKADNPNOOGOPM-SECBINFHSA-N 264.281 0.335 10 10 CCCE COc1ccc(O)c(CN(C[C@@H](C)O)[C@H](C)CO)c1 249068106 JCUZDDOIUXQEKG-GHMZBOCLSA-N 269.341 0.964 10 10 CCCE CN1CC[C@H](N(C)CC(=O)Nc2ccc(N)cc2)C1 389018667 YMONSHACMJKUJI-ZDUSSCGKSA-N 262.357 0.843 10 10 CCCE C[C@@](O)(C(=O)O)[C@@H](N)c1cc(Br)ccc1O 713758997 GWXBJNAFTNPYJU-WPRPVWTQSA-N 290.113 0.990 10 10 CCCE N[C@@H]1CCCCN(C(=O)c2cc(O)c(O)c(O)c2)C1 2132407440 PJCGRMJDDQSBCK-SECBINFHSA-N 266.297 0.757 10 10 CCCE COC(=O)CCS(=O)(=O)Nc1ccc(O)c(F)c1F 830184455 GOYZMAJOPKCZKN-UHFFFAOYSA-N 295.263 0.975 10 10 CCCE C[C@@H](N)[C@@H](C)NC(=O)NCCc1ccc(N)cc1 841955784 NHFZBHLGYKRXDQ-NXEZZACHSA-N 250.346 0.846 10 10 CCCE Nc1ccc(NC(=O)C(=O)NCCO[C@H]2CC2(F)F)cc1 850840532 WRHRUVVOTPXDGT-JTQLQIEISA-N 299.277 0.748 10 10 CCCE Cc1cccc(O)c1CN1CC(O)([C@@H](F)C(=O)O)C1 1875538271 JHXSPVAXXUBJLB-NSHDSACASA-N 269.272 0.670 10 10 CCCE Oc1ccc(F)cc1CN[C@H]1CCn2nnnc2C1 1875666253 ILUFMLBXBOCOET-JTQLQIEISA-N 263.276 0.622 10 10 CCCE COc1ccc(N2CCOCCC23CNC3)c(N)c1 1876391021 NBEDWYHFPNRLRL-UHFFFAOYSA-N 263.341 0.846 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H](CO)[C@H]1CCOC1 1137916571 QZBBFHCCRNDZDB-QWRGUYRKSA-N 281.308 0.154 10 10 CCCE Cn1nccc1CNC(=O)c1c(F)ccc(O)c1O 789955322 UKKXVNOWUJATPT-UHFFFAOYSA-N 265.244 0.900 10 10 CCCE COC(=O)[C@@H](C)S(=O)(=O)N[C@@H](C)c1ccccc1O 1877584574 GIJDILHQOCWISW-DTWKUNHWSA-N 287.337 0.934 10 10 CCCE C[C@H](O)c1cc(F)c(N2CC(CO)(CO)C2)c(F)c1 1880479663 PBMSBXFASVMOQI-QMMMGPOBSA-N 273.279 0.809 10 10 CCCE O=C(/C=C\c1ccc(O)c(O)c1)N1CC=C[C@@H]1CO 1153292803 SOEKMRKXKPOHIH-VLWUPBBWSA-N 261.277 0.870 10 10 CCCE CNCCCNC(=O)[C@H](N)c1cc(OC)ccc1O 83495183 FUKPFHRVTUMSPD-GFCCVEGCSA-N 267.329 0.126 10 10 CCCE [N-]=[N+]=NCCNC(=O)c1ccc(-n2cncn2)nc1 701301314 OOWQGVRUIIFVOS-UHFFFAOYSA-N 258.245 0.702 10 10 CCCE COCCNC(=O)CCNCc1cc(OC)ccc1O 135847577 MOEFAVSSCRDRBR-UHFFFAOYSA-N 282.340 0.643 10 10 CCCE CN(Cc1nnn(C)n1)c1ccc(CN)c(F)c1F 1893029970 OCDYXNIWCANJSK-UHFFFAOYSA-N 268.271 0.583 10 10 CCCE NC(=O)C1CCC(NC(=O)c2ccc(O)c(O)c2)CC1 716660502 JEQSUUYNVOYCRR-UHFFFAOYSA-N 278.308 0.872 10 10 CCCE O=S1(=O)CCCN1CCNCc1c(O)cccc1F 1964041811 BPKWBQYGOMXOLR-UHFFFAOYSA-N 288.344 0.656 10 10 CCCE C[C@@H]1CN(c2ccc3c(c2)OCO3)C[C@H](CCO)N1 217088732 STKMAZYCEMDRTH-MNOVXSKESA-N 264.325 0.964 10 10 CCCE COc1ccc(N2C[C@@H](O)CNC[C@@H]2C)cc1OC 217180397 BAGSSARXANXRSJ-JQWIXIFHSA-N 266.341 0.863 10 10 CCCE O=C(CN1CC=CC[C@H]1CO)c1ccc(O)c(O)c1 2119806434 AZYVWVHLKOAGNX-NSHDSACASA-N 263.293 0.903 10 10 CCCE Cn1cnc(C(=O)NCc2cc(O)ccc2O)cc1=O 1471662344 ZUDXPKXZOHVOAX-UHFFFAOYSA-N 275.264 0.122 10 10 CCCE CN1C(=O)CCC[C@H]1C(=O)NCc1c(O)cccc1O 1558535039 CLPGVRLXNJMMIK-JTQLQIEISA-N 278.308 0.725 10 10 CCCE Cn1nncc1CCNC(=O)Cc1ccc(N)cc1 2123268025 BTHSHGUEHQPKMW-UHFFFAOYSA-N 259.313 0.299 10 10 CCCE CC(=O)N1CC[C@@](C)(C(=O)NCc2c(O)cccc2O)C1 1645360713 GDIYDHWZNKAXGH-OAHLLOKOSA-N 292.335 0.973 10 10 CCCE C[C@H](O)[C@H]1CCN1c1cc2c(cc1F)[C@H](O)C(=O)N2 2125808270 IBDVCJSUIWFCCF-QDWQASTRSA-N 266.272 0.771 10 10 CCCE NCc1cc(NC(=O)c2ccc(O)c(O)c2)ncn1 2130043076 NBUHWWRYYAYONI-UHFFFAOYSA-N 260.253 0.599 10 10 CCCE O=[N+]([O-])c1cc(NS(=O)(=O)c2ncc[nH]2)ccc1O 821198545 NYCSIZLTVVXDPU-UHFFFAOYSA-N 284.253 0.824 10 10 CCCE [N-]=[N+]=NC[C@H]1CCN(C(=O)C[C@H]2CCS(=O)(=O)C2)C1 1912149616 IVYXWYIUUFHIDY-NXEZZACHSA-N 286.357 0.970 10 10 CCCE CC(C)C[C@@H](NC(=O)Cc1ccc(N)cc1)C(N)=O 108260766 DUZUEROVLJZPMX-GFCCVEGCSA-N 263.341 0.828 10 10 CCCE CNC(=O)[C@H](C)N(C)c1ccc2c(c1)NC(=O)[C@@H]2N 1916815837 KSAGOKCLKDRPBM-WRWORJQWSA-N 262.313 0.209 10 10 CCCE CNC(=O)[C@H](C)N(C)C(=O)CCOc1ccc(N)cc1 1916836927 GBWKLKWEPUBNSN-JTQLQIEISA-N 279.340 0.631 10 10 CCCE C[C@@H]1CCN(C[C@@H](O)COc2ccc(N)cc2)[C@@H]1CO 226914614 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Nc1ccc(OC[C@@H](O)CN2CCCOCC2)cc1 61913956 VLQVFQUHLLGKPA-ZDUSSCGKSA-N 266.341 0.731 10 10 CCCE [N-]=[N+]=N[C@@H]1CCCN(C[C@H]2CCS(=O)(=O)N2)CC1 2038007179 MDQUHLIDNNRYEY-NXEZZACHSA-N 273.362 0.843 10 10 CCCE CN(C)c1ccc([C@H](O)[C@H](N)[C@@H]2CCCS2(=O)=O)cc1 2156619894 JXUSAXSQUBUIMD-MJBXVCDLSA-N 298.408 0.691 10 10 CCCE COC[C@H](O)CNC(=O)CCOc1ccc(N)cc1 71263655 RUOQNYMFQVJSGQ-LLVKDONJSA-N 268.313 0.161 10 10 CCCE Cn1ncc(CO)c1S(=O)(=O)NCc1ccccc1O 2157742506 WQDQWRILOUYUGP-UHFFFAOYSA-N 297.336 0.097 10 10 CCCE CCCS(=O)(=O)N[C@H](C)C(=O)N(C)c1ccc(N)cc1 702086843 NSUQWYMFMANWFO-SNVBAGLBSA-N 299.396 0.950 10 10 CCCE COc1cc(N)c(N2CCC[C@@H]2[C@@H](O)CO)cc1OC 2179804729 HABQOMQWUNKHDJ-PWSUYJOCSA-N 282.340 0.608 10 10 CCCE CC(C)(CO)CCNC(=O)c1cc(O)nc(O)c1 385662694 GLGYBQHVLJSSEA-UHFFFAOYSA-N 254.286 0.631 10 10 CCCE Nc1ccc(O)c(CNS(=O)(=O)c2ccns2)c1 717718219 HHEGMLCUHANERO-UHFFFAOYSA-N 285.350 0.909 10 10 CCCE C[C@](O)(CNCc1ccc(O)c(O)c1O)C(F)F 698684429 QYXIALZDAXHTON-NSHDSACASA-N 263.240 0.909 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CCCE C[C@H](C(=O)Nc1ccc(N)cc1)N1CCn2cnnc2C1 81530937 VNOLLKGRQOCLOA-SNVBAGLBSA-N 286.339 0.703 10 10 CCCE CN(c1ccc2c(c1)NC(=O)[C@@H]2O)[C@H]1C[C@@H](C(N)=O)C1 703495913 KEBXMJSKYKHTKT-VFWDIBGWSA-N 275.308 0.372 10 10 CCCE CN1CCc2cc([C@H](N)C3(O)CC(C(=O)O)C3)ccc21 2163123454 LNUXWPUSUVELIH-QRJNDHJOSA-N 276.336 0.904 10 10 CCCE COc1cccc(CN2CC[C@]3(CNCCO3)C2)c1O 719951145 KJKOVSOCHPUDLV-HNNXBMFYSA-N 278.352 0.965 10 10 CCCE CN(C)c1ccc(CNC(=O)N[C@H]2CCCNC2=O)cc1 725854427 GWOAVHDQCASEFD-ZDUSSCGKSA-N 290.367 0.830 10 10 CCCE COc1cc(CN2CCO[C@@H](CC(N)=O)C2)c(O)cc1C 863326858 TYIDCFAWPJSGGA-LBPRGKRZSA-N 294.351 0.785 10 10 CCCE NCCCOCCNC(=O)Cc1ccc(N)cc1 877049255 SAPNUDHNGPPNFN-UHFFFAOYSA-N 251.330 0.293 10 10 CCCE CCOc1ccc(CNCCc2nnnn2C)c(O)c1 771877148 NYQLPDOYSPGKNJ-UHFFFAOYSA-N 277.328 0.647 10 10 CCCE COCc1cc(O)nc(=NCc2ccc(N)cc2)[nH]1 1877936529 NDZYZCBCLODYCM-UHFFFAOYSA-N 260.297 0.945 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H](O)CN1 37823771 LDKSRWCLBKWSBB-MNOVXSKESA-N 250.298 0.073 10 10 CCCE COC(=O)NCCCC(=O)NCc1cccc(O)c1O 1303194820 KUUTWYNXOKOZSZ-UHFFFAOYSA-N 282.296 0.850 10 10 CCCE CN1CC[C@](O)(CNCc2c(O)cccc2F)C1 1964582135 BATVDRKAVNVNDC-ZDUSSCGKSA-N 254.305 0.688 10 10 CCCE CCOC(=O)CCNC(=O)[C@@H](N)c1ccccc1O 83483747 PXKGDCGJXBGPBE-LBPRGKRZSA-N 266.297 0.461 10 10 CCCE CNCc1ccc(N(C)[C@@H]2COC[C@@H]2O)cc1C 708076553 WRKHTSVCXRUGCA-KGLIPLIRSA-N 250.342 0.910 10 10 CCCE C[C@@H]1CN(c2ccc3c(c2)N(C)C(=O)[C@@H]3N)C[C@H]1CO 709222593 KQYVVHNQCAGBQU-ISTVAULSSA-N 275.352 0.727 10 10 CCCE CN1CC(CN(C)c2ccc3c(c2)N(C)C(=O)[C@H]3N)C1 709326542 RUFUGDZVECVFGT-AWEZNQCLSA-N 274.368 0.661 10 10 CCCE C[C@@H](N)c1ccc(N2C[C@H](O)C[C@H]2CO)c(F)c1 698229303 QSRWYDNCFQJZGH-DVVUODLYSA-N 254.305 0.777 10 10 CCCE Nc1ccc(OCC(=O)N[C@@H]2C=CS(=O)(=O)C2)cc1 88852648 LNMKRMHPEXZBOQ-SNVBAGLBSA-N 282.321 0.075 10 10 CCCE CN(C)c1ccc(CNC(=O)[C@H]2COC[C@@H]2N)cc1 90383751 GHCWNXJRMATUST-STQMWFEESA-N 263.341 0.343 10 10 CCCE CCN(Cc1ccc(N(C)C)cc1)C(=O)c1nnn[nH]1 95039957 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N[C@@H]1C(=O)Nc2cc(N3CCC[C@@H](CO)C3)ccc21 218456222 IEKGVIUECWHYPJ-RNCFNFMXSA-N 261.325 0.847 10 10 CCCE Nc1ccc(CCN2C[C@@H]3C[C@H](C2)[C@@H](O)[C@H]3O)cc1 2126154579 VTTYHGXGKDIDTJ-CUFDPUGPSA-N 262.353 0.485 10 10 CCCE Cc1cc2c(cc1N(C)C[C@H](N)CC(=O)O)OCO2 258835070 DMFMROWCSQISTB-SECBINFHSA-N 266.297 0.962 10 10 CCCE CCN(C)[C@H](C(=O)O)[C@H](O)c1ccc(O)c(O)c1 2573 AJTZXFCHURGHFF-WDEREUQCSA-N 255.270 0.536 10 10 CCCE NN[C@H](c1ccccc1O)c1cccn2nncc12 2129443495 DPPKCNWNFWMEPN-ZDUSSCGKSA-N 255.281 0.988 10 10 CCCE C[C@H]1CN(c2ccc3c(c2)OCCO3)[C@@H](CO)CN1 251572626 DLQMHLHGUVIMEQ-CMPLNLGQSA-N 264.325 0.617 10 10 CCCE CC[C@@H](C)[C@H](O)CNC(=O)c1cc(O)c(O)c(O)c1 2132348180 GCXUCCBRUZDSAW-RDDDGLTNSA-N 269.297 0.940 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC[C@](F)(CO)C2)cc1 1917138219 ONOOEWBNDQWDQA-GFCCVEGCSA-N 288.344 0.505 10 10 CCCE CNCc1ccc(N2CC(C(=O)NC)C2)cc1OC 2139703434 YGLZVBCGMIQSPT-UHFFFAOYSA-N 263.341 0.597 10 10 CCCE C[C@@H](O)CN1CCN(C(=O)Cc2ccc(N)cc2)CC1 1969266118 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CN(Cc1ccc(N)cc1)S(=O)(=O)CCC(=O)O 2031611074 VJRBJAIEFMDISD-UHFFFAOYSA-N 272.326 0.505 10 10 CCCE CC(C)(C)n1nnc(C(=O)[C@H]2CCC(=O)C2=O)n1 2035493615 WCNZTXCPTLOFLV-LURJTMIESA-N 250.258 0.159 10 10 CCCE CC1(C)C[C@H](NC(=O)c2ccc(O)c(O)c2)CN1 2037006873 VLIMDUZYDFSIIL-VIFPVBQESA-N 250.298 0.968 10 10 CCCE O=C(CN1CCC(O)(CO)CC1)c1ccc(O)c(O)c1 313689863 JHHDZYRIJJZOHM-UHFFFAOYSA-N 281.308 0.100 10 10 CCCE COC(=O)[C@@]1(NCCCN=[N+]=[N-])CC(=O)NC[C@H](C)C1 2160184649 FFBQBDIFQJYSHZ-SKDRFNHKSA-N 283.332 0.734 10 10 CCCE NCC1(O)CCN(C(=O)c2cccc(O)c2O)CC1 397113273 SGNSEABEEFNIGF-UHFFFAOYSA-N 266.297 0.024 10 10 CCCE C[C@H](C[S@@](C)=O)N(C)c1ccc2c(c1)NC(=O)[C@@H]2N 398898854 PZRYNLIOOSGFAP-HLRGWKPYSA-N 281.381 0.842 10 10 CCCE C[C@H](C(=O)Nc1ccc(N)cc1)[S@](=O)CCC(N)=O 399448697 YWSYAMHFUGVMRX-LILOVNGRSA-N 283.353 0.220 10 10 CCCE COC(=O)[C@@]1(NCCN=[N+]=[N-])COC2(CCOCC2)C1 2178938334 FZZURKNFANPZNO-LBPRGKRZSA-N 284.316 0.768 10 10 CCCE CN=c1[nH]cc(C)c(=NCCOc2ccc(N)cc2)[nH]1 2173895680 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C[C@H]1C[C@H]1N(CCN)C(=O)c1ccc(O)c(O)c1 2048214954 YVOJTEMPWLCTPN-WCBMZHEXSA-N 250.298 0.907 10 10 CCCE C[C@H]1C[C@@H](C)NC[C@@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 2049780553 KTIRMESVTMXAEW-OSUNSFLBSA-N 252.358 0.886 10 10 CCCE N[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 2049784281 JDEWUSDPPXFVRG-FABMZRAQSA-N 250.342 0.625 10 10 CCCE CON(C(=O)Cc1ccc(O)c(O)c1)C1CNC1 2050143992 KZJAOHGLTOIREN-UHFFFAOYSA-N 252.270 0.002 10 10 CCCE C[C@@H](c1ccccc1O)N(C)C(=O)[C@@H](C)N1CC(N)C1 2188315644 VCGCOQSRXLQMBW-WDEREUQCSA-N 277.368 0.943 10 10 CCCE Nc1ccc(CC(=O)N[C@H]2CC(=O)N3CCC[C@@H]23)cc1 2188499177 MRJYYBZYPDQLMF-STQMWFEESA-N 273.336 0.691 10 10 CCCE C[C@H](C(=O)Nc1ccc(N)cc1)N1CC[C@H](O)[C@H](O)C1 2188624021 QKWNHKGQBPMKTL-JIMOISOXSA-N 279.340 0.023 10 10 CCCE CO[C@H]1C[C@@](CN)(NC(=O)c2cc(O)c(O)c(O)c2)C1 2198591912 YIZIWUOPNPVGFB-KTLJEJPDSA-N 282.296 0.040 10 10 CCCE C[C@@H]1CN[C@H](C)[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)C1 2188920177 SVTXJSPSCOOWIT-XKSSXDPKSA-N 280.324 0.920 10 10 CCCE Nc1ccc(NC(=O)N=S2(=O)CCNCC2)cc1 2071565736 RUKMKHSTQPPTOX-UHFFFAOYSA-N 268.342 0.872 10 10 CCCE Cc1cccc(CNS(=O)(=O)CCCCN)c1O 2084063726 OZCYDYOEUNQQFJ-UHFFFAOYSA-N 272.370 0.859 10 10 CCCE N[C@@]1(CO)CCCN(C(=O)c2cccc(O)c2O)C1 2087258759 XMNOKQWVFDRGBF-ZDUSSCGKSA-N 266.297 0.024 10 10 CCCE Nc1ccc(OC[C@H](O)CN2CC=C[C@H](O)C2)cc1 2108772348 GDHXKTVVPPOPFN-QWHCGFSZSA-N 264.325 0.241 10 10 CCCE COc1cccc(O)c1CNCC[C@H]1COC[C@@H]1O 2111326339 RBILHQOYFJMXFA-GWCFXTLKSA-N 267.325 0.888 10 10 CCCE CNCc1ccc(N2C[C@@H](CO)[C@@H](CCO)C2)cc1 2093500890 GAQIIMCVSMESHP-KBPBESRZSA-N 264.369 0.833 10 10 CCCE NCc1ccc(N2CC[C@@H]3CS(=O)(=O)C[C@@H]32)c(F)c1 2094929146 BOAVEYKSBPBTJD-MFKMUULPSA-N 284.356 0.908 10 10 CCCE CO[C@H]1CN(C)C[C@@H]1NC(=O)Cc1ccc(N)cc1 2095430670 PMNFOWNQTACNKK-STQMWFEESA-N 263.341 0.257 10 10 CCCE CCN(C)C1CN(c2ccc3c(c2)NC(=O)[C@H]3O)C1 2113153501 OJLOJDMKZLJHBX-ZDUSSCGKSA-N 261.325 0.812 10 10 CCCE NC[C@]12CC[C@H]1CN(C(=O)COc1ccc(N)cc1)C2 2201357587 PXFJGCVHEQHFSI-NHYWBVRUSA-N 275.352 0.845 10 10 CCCE C[C@@H](N)c1ccc(N2CC(C(=O)N(C)C)C2)cc1O 2121048016 YDIMWMIVTJIGJN-SECBINFHSA-N 263.341 0.936 10 10 CCCE Cc1cccc(CNS(=O)(=O)N2CCNC[C@H]2C)c1O 2204628742 ABTWNHDZSDRPRC-LLVKDONJSA-N 299.396 0.329 10 10 CCCE CN(C)C[C@@H]1COC[C@H]1NC(=O)c1ccc(O)c(O)c1 2206390187 FCHCSNVVNMTXBB-GHMZBOCLSA-N 280.324 0.404 10 10 CCCE C[C@H](N)c1cc(F)c(N2CC[C@H]2[C@H](O)CO)c(F)c1 2270679663 CNXBZHSESHLQHT-CQFDHEJISA-N 272.295 0.916 10 10 CCCE COC[C@@H]1[C@H](O)[C@H](O)CN1c1ccc2c(c1)CC[C@H]2O 2233880848 ZJDNUNQNKJQNMJ-TUVASFSCSA-N 279.336 0.223 10 10 CCCE CC[C@@H](O)c1ccc(N2CC[C@@](O)(CO)[C@H](O)C2)cc1 2234096494 KTGJDLIFZXTCLN-RBSFLKMASA-N 281.352 0.424 10 10 CCCE COc1cccc(CN2C[C@@H]3CN[C@@H](CO)[C@H]3C2)c1O 2235571118 YEZVLIZLXNQFTK-AVGNSLFASA-N 278.352 0.413 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3C[C@H](O)C[C@@H](F)C3)ccc21 2226289918 BXIIEZWMXXOIPQ-GMEUVTARSA-N 265.288 0.548 10 10 CCCE CN(C)CCN(CCN)Cc1c(O)cccc1F 2254624187 XWDOYZPRKAJWHS-UHFFFAOYSA-N 255.337 0.854 10 10 CCCE Cc1cc(N2CC[C@H](O)[C@H](O)C2)ccc1[C@H](C)N 2257463695 KEOODFDGGBLKPJ-LEWSCRJBSA-N 250.342 0.947 10 10 CCCE C[C@H](O)c1ccc(N2CC[C@@H]2[C@@H](O)CO)c([N+](=O)[O-])c1 2286208757 MLUWVGHFDUAWSU-KDDOJWQBSA-N 282.296 0.580 10 10 CCCE CS(=O)(=O)C1CC(C(=O)N2CC(N=[N+]=[N-])C2)C1 2249009224 HDGATYUYZGGORS-UHFFFAOYSA-N 258.303 0.331 10 10 CCCE COC(=O)NC[C@@H](C)NC(=O)c1cccc(O)c1O 2270600435 RDJJOLFQQZQWQH-SSDOTTSWSA-N 268.269 0.572 10 10 CCCE CN(C(=O)c1cc(O)nc(O)c1)[C@H]1CNCC12CC2 2271401041 NSHWBXPHDYKEMC-VIFPVBQESA-N 263.297 0.317 10 10 CCCE COc1ccc(N2C[C@@H]3OCC[C@]3(CO)C2)c(N)c1 2278880642 QRHIHYCVPLRXMF-UONOGXRCSA-N 264.325 0.865 10 10 CCCE NCc1cc(F)c(N2CC[C@H](O)[C@H](O)CC2)c(F)c1 2269153616 XTDIJVWOSRBUMG-TXEJJXNPSA-N 272.295 0.746 10 10 CCCE Cc1cc(CN)ccc1N1C[C@@H]2OC[C@@H](CO)O[C@H]2C1 2279774493 IXJMDQFHGNHPFI-SNPRPXQTSA-N 278.352 0.419 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@H]1CCOCCN1 2269861584 BCGVTUVPNIQYSJ-GFCCVEGCSA-N 264.325 0.729 10 10 CCCE CCNCc1ccc(N2CC[C@@H]2[C@@H](O)CO)cc1OC 2286220170 OEIKGCVHRMIGPZ-KGLIPLIRSA-N 280.368 0.737 10 10 CCCE OCc1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CF)c(Cl)c1 2311997457 PGPVATQEDZYOPL-UTUOFQBUSA-N 275.707 0.712 10 10 CCCE C[C@H](O)c1ccc(N2C[C@@H]3CS(=O)(=O)[C@H]3C2)cc1 2314879912 ITHKXOWFMXISLG-NDMJEZRESA-N 267.350 0.973 10 10 CCCE O=C1C[C@H](CN2CCc3cc(O)c(O)cc3C2)CN1 2341207996 BLAQNNIWQMAVIS-VIFPVBQESA-N 262.309 0.592 10 10 CCCE COCc1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)o1 130280047 AQPOZOOKEMADBV-UHFFFAOYSA-N 278.264 0.860 10 10 CCCE COCC[S@@](=O)CCC(=O)Nc1ccc(N)cc1 40970356 ZZFBMGZHCSVIPY-GOSISDBHSA-N 270.354 0.993 10 10 CCCE [N-]=[N+]=NC[C@@H]1O[C@H](OCc2ccccc2)[C@H](O)[C@H](O)[C@@H]1O 143200299 FTUQJJZKDLPCIS-CLPYTZEMSA-N 295.295 0.321 10 10 CCCE COc1ccc2c(c1)C[C@@H](C(=O)OCC(=O)C(C)=O)CO2 808502522 KZULDFZTTGWUSI-LLVKDONJSA-N 292.287 0.948 10 10 CCCE CN1CCCc2cc(CN3C[C@H](N)C[C@@H](O)C3)ccc21 2168136059 YPBMWABUWOAHFE-HUUCEWRRSA-N 275.396 0.963 10 10 CCCE CC(=O)C(=O)COC(=O)[C@@H]1C[C@@H](c2ccccc2)OC1=O 808585004 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SFXYUYLBVKUQCX-GFCCVEGCSA-N 264.329 0.409 10 10 CCCE C[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)S(C)(=O)=O 1446348517 MAROHWMTCISBFP-QMMMGPOBSA-N 287.337 0.190 10 10 CCCE COc1ccc(O)c(CNC2(CN(C)C)COC2)c1 2120347964 HBKNILZSJUYKCA-UHFFFAOYSA-N 266.341 0.821 10 10 CCCE COc1ccc(N2[C@H](C)CNC[C@@H]2CO)cc1OC 217179408 GVHQLZAATAABSZ-ZYHUDNBSSA-N 266.341 0.863 10 10 CCCE CCc1cccc(CNCC(CO)(CO)CO)c1O 2123221026 VCLMOQRCGVKZOM-UHFFFAOYSA-N 269.341 0.008 10 10 CCCE O=C(CCn1ccnn1)NCc1cccc(O)c1O 1558161636 ONQQIVSGDSVOED-UHFFFAOYSA-N 262.269 0.396 10 10 CCCE O=C(NCc1cccc(O)c1O)c1csnn1 1558159611 IXLIHULJUWCNOB-UHFFFAOYSA-N 251.267 0.879 10 10 CCCE C[C@H](NCC1CN(C(N)=O)C1)c1ccc(O)cc1O 2124811609 IHXSJIBTDNBZLB-QMMMGPOBSA-N 265.313 0.759 10 10 CCCE CN(CCN=[N+]=[N-])C(=O)Cn1ccc([N+](=O)[O-])n1 1912194242 JXVMNHYQFAQCNJ-UHFFFAOYSA-N 253.222 0.560 10 10 CCCE CCO[C@H]1CS(=O)(=O)C[C@@H]1N(C)CCN=[N+]=[N-] 1912200805 LQZRGUTUVNGQDK-IUCAKERBSA-N 262.335 0.431 10 10 CCCE Nc1n[nH]c(CNC(=O)NCc2ccccc2O)n1 1675310182 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N[C@H]1C(=O)Nc2cc(N3C[C@@H]4C[C@]4(CO)C3)ccc21 2136090263 NROWQQPJMNLORA-REAQECSSSA-N 259.309 0.457 10 10 CCCE NC[C@]1(C(=O)NCc2ccccc2O)CCCO1 1923310159 YSDRFKSIBMTLCG-ZDUSSCGKSA-N 250.298 0.516 10 10 CCCE COCc1noc(CNC(=O)c2ccc(O)c(O)c2)n1 1926265232 ASIBEHGZMZUJMT-UHFFFAOYSA-N 279.252 0.557 10 10 CCCE C[S@@](=O)CCCNC(=O)[C@@H]1CNc2ccccc2N1 229885062 BKESQKMBZYKIEI-HXPMCKFVSA-N 281.381 0.777 10 10 CCCE CCN1CC(=O)N(CCCc2ccc(N)cc2)CC1=O 122741181 OZFXARMYRFLPMA-UHFFFAOYSA-N 275.352 0.892 10 10 CCCE Cc1noc(CCNS(=O)(=O)Cc2ccc(N)cc2)n1 231875658 JQTUHYRQNHQOFF-UHFFFAOYSA-N 296.352 0.622 10 10 CCCE C[C@@H]1C[C@@H]2CNC[C@@H]2N1C(=O)c1cccc(O)c1O 126652117 WRWRAQSZRDICPZ-KKZNHRDASA-N 262.309 0.920 10 10 CCCE CCN(CC)c1ccc([C@H](N)[C@@H](O)C(=O)O)c(O)c1 1952135279 JWOGYWQVZOJRLT-NWDGAFQWSA-N 268.313 0.684 10 10 CCCE Nc1ccc(CC(=O)N2CCO[C@@H]3COCC[C@H]32)cc1 2143771187 HUIJGPUUNRIBES-ZIAGYGMSSA-N 276.336 0.828 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CC[C@H]2C[C@H]1CN2 1971863285 QBLYOTPVBSEIEY-SRVKXCTJSA-N 276.336 0.897 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CC12CCNCC2 2144029059 GPPFVJFWKFOGAK-ZDUSSCGKSA-N 276.336 0.899 10 10 CCCE CN1C[C@H](CN)C[C@@H]1c1cc(C(=O)O)c(O)cc1O 258504381 IWVFXUYNJQRADH-OIBJUYFYSA-N 266.297 0.748 10 10 CCCE CCNC(=O)CNCc1ccc(N2CCOCC2)cc1 35134191 XWJDZQMWRLAYON-UHFFFAOYSA-N 277.368 0.749 10 10 CCCE CC(C)NC(=O)NCCNC(=O)c1cccc(O)c1O 2148841995 CXYDBFNWCMWOCV-UHFFFAOYSA-N 281.312 0.535 10 10 CCCE C[C@H](N)c1ccc2c(c1)CCN2CC(=O)NC(N)=O 162112280 UBOGASXOMKNGFE-QMMMGPOBSA-N 262.313 0.264 10 10 CCCE COC(=O)CCCS(=O)(=O)N(C)c1ccc(N)cc1 49061925 MIGNWNNFCMRNEA-UHFFFAOYSA-N 286.353 0.988 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3CCC[C@](F)(CO)C3)ccc21 2157521865 QHTMKDCVGOSWOQ-TZMCWYRMSA-N 279.315 0.939 10 10 CCCE Nc1ccc(OCCC(=O)N[C@H]2C[C@H](O)C2)cc1 2040937371 DCEVKPUPKIMFAI-XYPYZODXSA-N 250.298 0.677 10 10 CCCE C[S@](=O)CCOC(=O)c1ccn(-c2ccc(N)cc2)n1 400663512 ZAOPPKQUBBVKAJ-FQEVSTJZSA-N 293.348 0.990 10 10 CCCE COC(=O)NCCNCc1cc(OC)ccc1O 308344013 SWHQKFFZEBGWEH-UHFFFAOYSA-N 254.286 0.846 10 10 CCCE CN(c1ccc(CNC2CC2)cc1)C(CO)CO 311018622 BUMWMJOPYDRWMF-UHFFFAOYSA-N 250.342 0.728 10 10 CCCE CO[C@@H]1C[C@@H](CO)N(C(=O)COc2ccc(N)cc2)C1 312529252 PLOFMTUCVQLIQN-WCQYABFASA-N 280.324 0.256 10 10 CCCE CCCOc1cc(N2C[C@@H](O)[C@@H](CO)C2)ccc1N 316126259 LYJMPBSYHUPTKC-ZWNOBZJWSA-N 266.341 0.847 10 10 CCCE [N-]=[N+]=NCCCN[C@@]1(C(N)=O)COC2(CCOCC2)C1 2178938133 DBRBKYZVOYTEOU-GFCCVEGCSA-N 283.332 0.470 10 10 CCCE CN(C)c1ccc(CN[C@@H]2CCOC[C@@H]2O)cc1 706726954 JABMALGBEXKBGW-KGLIPLIRSA-N 250.342 0.992 10 10 CCCE NC(=O)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(O)c(O)c1 2174121879 WBVRQZILMKJWTD-UWVGGRQHSA-N 278.308 0.872 10 10 CCCE O=C(O)c1cc(NS(=O)(=O)c2cccnn2)ccc1O 711634698 XWSMFIBSQMXHRP-UHFFFAOYSA-N 295.276 0.681 10 10 CCCE C[C@@]1(CO)CCN(C(=O)c2ccc(O)c(O)c2)C1 381733813 LGVNZRZTRLBWHD-CYBMUJFWSA-N 251.282 0.942 10 10 CCCE CC1(O)CN(c2cc3c(cc2Cl)[C@@H](N)C(=O)N3)C1 383954767 CGEBJNCYETZCRG-SNVBAGLBSA-N 267.716 0.863 10 10 CCCE CNCc1ccc(N2C[C@@H]3C(=O)NC(=O)[C@H]3C2)c(C)c1 386870031 XHIWNSNPOQALNN-RYUDHWBXSA-N 273.336 0.423 10 10 CCCE Nc1ccc(CS(=O)(=O)NCCc2cnccn2)cc1 390253268 XAALJTLAWYHOQZ-UHFFFAOYSA-N 292.364 0.721 10 10 CCCE NCc1ccc2c(c1)CCN2C[C@@H](O)CN1CCCC1 2189916135 BZSXGWKNKJLXDX-HNNXBMFYSA-N 275.396 0.965 10 10 CCCE NC(=O)[C@]1(O)CCCN(c2ccc3c(c2)CC[C@@H]3O)C1 2184741986 QZQJSNAAAXNKEP-ZFWWWQNUSA-N 276.336 0.483 10 10 CCCE Cc1cc(CN)ccc1N1CC([C@@H]2NC(=O)NC2=O)C1 2184958181 GFEDSHBLMJMAPO-LBPRGKRZSA-N 274.324 0.098 10 10 CCCE NCCCC1CN(c2cc3c(cc2N)OCC(=O)N3)C1 2199521566 ZSNLMNHBWBUXAJ-UHFFFAOYSA-N 276.340 0.775 10 10 CCCE CN(c1cc2c(cc1N)OCC(=O)N2)[C@H]1CCCNC1 2191587359 DICJRNQWHJTPHQ-VIFPVBQESA-N 276.340 0.788 10 10 CCCE Nc1ccc(OCC(=O)N2C[C@@H]3OCC[C@@H]3C2=O)cc1 2191655997 KZMZGQWXNTUMOY-RYUDHWBXSA-N 276.292 0.422 10 10 CCCE C[C@H](N)C[S@@](C)(=O)=NC(=O)c1cc(O)nc(O)c1 2042220775 JDDFJUSOXAFSKL-AHGSNSTDSA-N 273.314 0.078 10 10 CCCE C[C@@H](c1ccc(F)cc1O)N1CC(N)(C(N)=O)C1 2047101511 YMLUWYBVHWCOPP-ZETCQYMHSA-N 253.277 0.091 10 10 CCCE CN[C@H](c1ccc(N(C)C)cc1)[C@@H](O)c1nnnn1C 2196239717 OFRKHRYLUVPMGG-VXGBXAGGSA-N 276.344 0.270 10 10 CCCE COC(=O)[C@@H](C)CS(=O)(=O)N1CC[C@H](N=[N+]=[N-])C1 2063720303 HKDZMBQMXWIRIY-YUMQZZPRSA-N 276.318 0.510 10 10 CCCE O=C(NC1CCOCC1)c1cc(O)c(O)c(O)c1 2068576254 HYLGFFWAGMWJJZ-UHFFFAOYSA-N 253.254 0.712 10 10 CCCE C[C@H](CCN)CNC(=O)c1cc(O)c(O)c(O)c1 2068624031 LYALGHPGQHOZRX-SSDOTTSWSA-N 254.286 0.518 10 10 CCCE Nc1ccc(NCC[C@H]2CNCCS2(=O)=O)cc1 2071600348 LGSVSXOZQVJIDZ-LBPRGKRZSA-N 269.370 0.457 10 10 CCCE N=C(NO)[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)C1CC1 2188916665 QZLPJOWQRLYMAD-VIFPVBQESA-N 281.268 0.268 10 10 CCCE CN1CCN(C(=O)c2cc(O)c(O)c(O)c2)CC12CC2 2188928870 NBTJUOMAVBKADV-UHFFFAOYSA-N 278.308 0.724 10 10 CCCE Cc1cccc(CNC(=O)[C@H](O)C(C)(C)N)c1O 2084059535 UXRWRJRZKWGKBH-NSHDSACASA-N 252.314 0.415 10 10 CCCE Cc1cc(N2C[C@H](O)[C@H](O)[C@@H]2CF)ccc1CN 2084795063 UHCWQEACAZVQIW-RWMBFGLXSA-N 254.305 0.334 10 10 CCCE CN(C)c1ccc([C@@H](Cc2ncn(C)n2)NN)cc1 2106854726 GYTKLPBKXJFEQZ-GFCCVEGCSA-N 260.345 0.628 10 10 CCCE COCCOCC[C@H](NCCCN=[N+]=[N-])C(=O)OC 2108935779 MYEWLBZGSOBIQI-JTQLQIEISA-N 274.321 0.871 10 10 CCCE Nc1ccc(O)c(CN2CC[C@@H]3CC(=O)N[C@H]3C2)c1 2088809416 VBUPCUSWQJEUCU-SKDRFNHKSA-N 261.325 0.685 10 10 CCCE NC(=O)[C@@H]1C[C@H](N)CN(Cc2cc(F)ccc2O)C1 2094664616 BPLLTGCLAGHTDT-KOLCDFICSA-N 267.304 0.166 10 10 CCCE O=c1c2c(ccn1C[C@@H]1COCCCO1)CCNC2 2097729710 WSLHTSDVVRIKDX-GFCCVEGCSA-N 264.325 0.300 10 10 CCCE CCCn1nnnc1CNCc1ccc(O)c(O)c1 2113070873 BZFXZYLRFILFOE-UHFFFAOYSA-N 263.301 0.784 10 10 CCCE N[C@@H]1C[C@@H]2C[C@H](NC(=O)Cc3ccc(O)c(O)c3)C[C@@H]12 2202033722 VCLAVZBEAMEZFQ-NNYUYHANSA-N 276.336 0.882 10 10 CCCE CNCc1ccc(N2CC[C@H](O)[C@@H](CO)C2)cc1OC 2204558387 BXSFADUZEHATNG-OCCSQVGLSA-N 280.368 0.594 10 10 CCCE COc1cc(N2C[C@H]3CCS(=O)(=O)[C@H]3C2)ccc1CO 2204549932 LIDWKGLQNDBGBT-YGRLFVJLSA-N 297.376 0.811 10 10 CCCE CN=c1nc(OC)[nH]c(=NCc2cccc(C)c2O)[nH]1 2204629091 FKDKABPHKQYGSL-UHFFFAOYSA-N 275.312 0.392 10 10 CCCE O=C1CCN(C(=O)NCCc2ccc(O)c(O)c2)C1 2269980426 ILPBIMVTHNHAKD-UHFFFAOYSA-N 264.281 0.625 10 10 CCCE C[C@@H](N)c1ccc2c(c1)CCN2CCOCC(N)=O 2232232032 JMIDYCQPCURRTQ-SNVBAGLBSA-N 263.341 0.571 10 10 CCCE COC[C@@H]1[C@H](O)[C@@H](O)CN1c1ccc([C@H](C)O)c(O)c1 2233878106 CYNPAFWIQLFAHP-KNEYZDPSSA-N 283.324 0.002 10 10 CCCE COC[C@@H]1[C@@H](O)[C@H](O)CN1c1ccc([C@@H](C)O)cc1F 2233866272 PGDFFQXSLMZGTG-HKSFMPNISA-N 285.315 0.436 10 10 CCCE CN1[C@H](C(=O)O)CC[C@@H]1C(=O)N1CCC(N=[N+]=[N-])CC1 2234170652 FZJZOLZUNKIQFC-ZJUUUORDSA-N 281.316 0.835 10 10 CCCE COc1ccc(N2CCN(CC(N)=O)CC2)c(C=O)c1 2235978463 DTRYJYOYHRCAPQ-UHFFFAOYSA-N 277.324 0.115 10 10 CCCE COc1ccc(N2CCN3CCOC[C@@H]3C2)c(CN)c1 2235964997 WYNKLSHGVOGDQE-ZDUSSCGKSA-N 277.368 0.675 10 10 CCCE CNC(=O)N1CCN(c2ccc(OC)cc2C=O)CC1 2235998032 ULTDLGFENDWYGX-UHFFFAOYSA-N 277.324 0.969 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CNC[C@H](F)C1 2226273216 RUIUHVNSGJGVMG-ZJUUUORDSA-N 268.288 0.457 10 10 CCCE COc1ccc(N2C[C@H](CO)C[C@@H](CO)C2)c(C=O)c1 2236632520 DKRHAKOXHSWHPQ-VXGBXAGGSA-N 279.336 0.935 10 10 CCCE Nc1cc(NS(=O)(=O)N2C[C@H]3CC[C@H]3C2)ccc1O 2227869228 OXEVFKRMFXPKJF-DTORHVGOSA-N 283.353 0.973 10 10 CCCE C[C@]1(CO)C=CCN1c1ccc2c(c1)NC(=O)[C@H]2N 2228870853 NQACZDYXXWOOQX-GXTWGEPZSA-N 259.309 0.766 10 10 CCCE Cc1cc([C@@H](C)N)ccc1N1CC2(C1)OC[C@H](O)[C@@H]2O 2240743997 MJIKWCYGUFGBFZ-SWHYSGLUSA-N 278.352 0.326 10 10 CCCE Cc1cc(N2CC[C@](O)(CO)C2)ccc1[C@@H](C)O 2257475617 HDKQDFDYYHSTAZ-BXUZGUMPSA-N 251.326 0.982 10 10 CCCE CNC(=O)Cn1cc(NCc2ccc(O)c(O)c2)cn1 37787067 XLUZKOGRLGHRIJ-UHFFFAOYSA-N 276.296 0.652 10 10 CCCE COc1cc(N2C[C@@H](O)[C@@H](O)[C@H]2CF)ccc1CO 2333235776 OLTRWNOBJASBRJ-WZRBSPASSA-N 271.288 0.067 10 10 CCCE OC[C@@H](O)C1CN(c2ccc3c(c2)CCC[C@H]3O)C1 2336886296 BAHWXJAKWQZLIE-HUUCEWRRSA-N 263.337 0.846 10 10 CCCE C[C@H](O)c1ccc(N2C[C@@H]3C[C@H](O)[C@H](O)[C@@H]2C3)cc1O 2355340563 PVWHEEIGGWFBFI-FGBYBXMZSA-N 279.336 0.766 10 10 CCCE Nc1ccc(OCC(=O)N[C@H]2C[C@@H]3C[C@H]2C[C@@H]3O)cc1 2355718533 BXLMBMCBCCLLEC-NUZBWSBOSA-N 276.336 0.923 10 10 CCCE Nc1ccc(OC[C@@H](O)CN2CC[C@@H](O)C2)cc1 226991838 HWAITVJMQIWRQD-NEPJUHHUSA-N 252.314 0.075 10 10 CCCE CCC(CO)(CO)N[C@@H](C)c1c(O)cccc1O 232881719 ZXAUILIQNHZVMJ-VIFPVBQESA-N 255.314 0.882 10 10 CCCE CNCC[C@@]1(O)CN(C)c2cc(OC)c(OC)cc21 527416230 FQNOQMPAJWCSOS-CQSZACIVSA-N 266.341 0.951 10 10 CCCE CCOC(=O)[C@H]1CNCCN1[C@H](C)c1ccc(O)cc1O 250714035 ZLTJIGABRMYAOE-ZWNOBZJWSA-N 294.351 0.996 10 10 CCCE CCc1noc(CCCC(=O)OCC(=O)C(C)=O)n1 808507068 XQDYQRXJLFMUNE-UHFFFAOYSA-N 268.269 0.656 10 10 CCCE CN(C)c1ccc([C@H](NN)[C@@H]2Cc3nncn3C2)cc1 2167750253 SDHBNHVSAFIULC-RISCZKNCSA-N 272.356 0.721 10 10 CCCE O=[N+]([O-])c1ccc(O)c(CNC2COCCOC2)c1 813789570 UNZIWKNGOMYODC-UHFFFAOYSA-N 268.269 0.805 10 10 CCCE OCC1(CNCc2ccc(O)c(O)c2)CCOCC1 700910534 OIEYLSCTMREOQC-UHFFFAOYSA-N 267.325 0.977 10 10 CCCE CC[C@H](NC(=O)CCOc1ccc(N)cc1)C(=O)NC 697917749 STXNZANLIWMLFR-LBPRGKRZSA-N 279.340 0.679 10 10 CCCE CN1C[C@@H](C(=O)N2Cc3cccc(O)c3C2)CC1=O 871199321 WHRKHVFKMCFSCC-JTQLQIEISA-N 260.293 0.713 10 10 CCCE O=C(NCc1cccc(O)c1O)C(=O)NCC(F)F 1123978615 VRAHMJMRTLWTTC-UHFFFAOYSA-N 274.223 0.095 10 10 CCCE CCC1(NC(=O)CCOc2ccc(N)cc2)CNC1 1876445968 CKRMOYLDOSYXNN-UHFFFAOYSA-N 263.341 0.906 10 10 CCCE Cn1cc(CNC(=O)/C=C/c2ccc(O)c(O)c2)nn1 783619350 UMOCSIVVVVORFP-HWKANZROSA-N 274.280 0.556 10 10 CCCE CNC(=O)CCNC(=O)c1ccc(N=NC(N)=O)cc1 1147083456 DHXBIOADRVVZSP-UHFFFAOYSA-N 277.284 0.715 10 10 CCCE Cc1cccc(CN2CCO[C@@H](CS(C)(=O)=O)C2)c1O 897594830 DTOABLBUVHTCMK-CYBMUJFWSA-N 299.392 0.946 10 10 CCCE O=C(NCc1c(O)cccc1O)c1n[nH]cc1F 1304054752 XCVDYKFASPMPJH-UHFFFAOYSA-N 251.217 0.890 10 10 CCCE CCOC(=O)CN1CCN(c2ccc(N)cc2)CC1 57469971 PCDLUSAMOQPGQM-UHFFFAOYSA-N 263.341 0.954 10 10 CCCE COCn1nccc1S(=O)(=O)NCCN=[N+]=[N-] 1964005557 TVJKFZFCSXUAFT-UHFFFAOYSA-N 260.279 0.076 10 10 CCCE CCCNC(=O)[C@H](N)c1cc(O)c(O)c([N+](=O)[O-])c1 83512699 MLOPPNUHNNEIPM-SECBINFHSA-N 269.257 0.532 10 10 CCCE COc1cccc(CN(C)C[C@@H]2COCCN2)c1O 1964653261 LPAWGEUHDGTTLD-GFCCVEGCSA-N 266.341 0.821 10 10 CCCE CN(C)c1ccc(/C=C\CN[C@H](CO)C(=O)O)cc1 1333185439 JKWZQZCYZQXYEG-DHCBQETCSA-N 264.325 0.801 10 10 CCCE CN(C)c1ccc(CN2CCN(C3CNC3)CC2)cc1 90306539 BMJINUBMQBRNIF-UHFFFAOYSA-N 274.412 0.842 10 10 CCCE COC(=O)[C@@H]1CCN(S(=O)(=O)Cc2ccc(N)cc2)C1 95017275 QZUHPRKIEYCCRZ-LLVKDONJSA-N 298.364 0.594 10 10 CCCE COC(=O)NCCCNC(=O)c1cccc(O)c1O 2119022335 HHFDIZFNCFYOAF-UHFFFAOYSA-N 268.269 0.574 10 10 CCCE C[C@H]1CN(c2ccc3c(c2)OCO3)[C@H](CO)C(=O)N1 217059418 JJBKHAZLEIQKFU-WCBMZHEXSA-N 264.281 0.101 10 10 CCCE CNCc1ccc(N2CC3(CNC(=O)N3C)C2)cc1 2121210209 AFYKTQDIECLVHT-UHFFFAOYSA-N 260.341 0.620 10 10 CCCE Cn1cnnc1NC(=O)/C=C/c1ccc(O)c(O)c1 1556147884 NZHUGLVDLXSKST-HWKANZROSA-N 260.253 0.878 10 10 CCCE CCO[C@@H]1CS(=O)(=O)C[C@@H]1N1CCC[C@H]1CN=[N+]=[N-] 2123004375 JGQXWKVHKUFTOW-GARJFASQSA-N 288.373 0.963 10 10 CCCE C[C@@]1(NC(=O)c2ccc(N=NC(N)=O)cc2)CCNC1=O 1635925410 UWNLMYFJBDSTAC-CYBMUJFWSA-N 289.295 0.857 10 10 CCCE CN(C(=O)Cc1ccc(O)c(O)c1)C1(C(N)=O)CCCC1 1636558057 COHJLQDZUVEEQA-UHFFFAOYSA-N 292.335 0.897 10 10 CCCE CC1(C)OC[C@@H](NC(=O)c2ccc(O)c(O)c2)[C@@H]1O 1910828615 JRBMZDYLJMTURV-KCJUWKMLSA-N 267.281 0.366 10 10 CCCE COCCN(C)CCNC(=O)Cc1ccc(O)c(O)c1 1632362014 UVTOVJFKYVOFMD-UHFFFAOYSA-N 282.340 0.335 10 10 CCCE COC(=O)CS(=O)(=O)N(C)CCCN=[N+]=[N-] 1912199010 NCBMVHHVFXWMTR-UHFFFAOYSA-N 250.280 0.121 10 10 CCCE CN(CCN=[N+]=[N-])CC(=O)Nc1ccc(C(N)=O)cc1 1912162937 CITQADZXYNBOKO-UHFFFAOYSA-N 276.300 0.966 10 10 CCCE CS(=O)(=O)N1CC[C@H](N2CC[C@H](CN=[N+]=[N-])C2)C1 1912204510 KCQXUCOORXATKW-ZJUUUORDSA-N 273.362 0.653 10 10 CCCE COc1ccc(NC(=O)C[C@H]2C(=O)NN(C)C2=O)cc1 169996107 QLSXFFXMEQWGIW-JTQLQIEISA-N 277.280 0.143 10 10 CCCE COc1cc(N2CCO[C@H](CN)C2)c([N+](=O)[O-])cc1OC 165862611 ZXHYJFGDMOLCFG-SECBINFHSA-N 297.311 0.776 10 10 CCCE CCOC(C)(C)CNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 159435761 WQUKHNGOLNQHBH-NSHDSACASA-N 296.367 0.899 10 10 CCCE NC[C@@H]1CCC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2132399596 GVUSYCMRCDZKPB-IONNQARKSA-N 266.297 0.661 10 10 CCCE COc1cccc(CN2CCN[C@@H]3COC[C@H]32)c1O 2132561468 VOEVCRQEQWWPTE-VXGBXAGGSA-N 264.325 0.573 10 10 CCCE CN(Cc1ccc(N)cc1)S(=O)(=O)N1CCC[C@H](O)C1 1914160978 MYAJOKCFUISOHK-ZDUSSCGKSA-N 299.396 0.402 10 10 CCCE CCN[C@H](C)c1ccc(N2CC(O)(C(N)=O)C2)cc1O 1915249427 YAHSMXZVAXOGOH-SECBINFHSA-N 279.340 0.099 10 10 CCCE CC(=O)C(=O)[C@@H](O)[C@@H](C)CNC(=O)OC(C)(C)C 1919237932 ZKGXGECTOZNLRH-CBAPKCEASA-N 259.302 0.666 10 10 CCCE C[C@@H](N)c1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CO)c(Cl)c1 2136341163 YYDSYXFJIOFSNZ-HPXOCHMKSA-N 286.759 0.262 10 10 CCCE CO[C@H]1C[C@@H](C(=O)O)N(Cc2ccc(O)cc2O)C1 2136350878 RQENMFZZMWZHQG-QWRGUYRKSA-N 267.281 0.772 10 10 CCCE CN[C@@H]1CN(C(=O)c2cccc(O)c2O)CC12CC2 2140917347 HZPISJHZIUMWDV-LLVKDONJSA-N 262.309 0.922 10 10 CCCE C[C@H]1CN(C(=O)COc2ccc(N)cc2)C[C@@H](CO)O1 229936312 UXGZEVUQDFRBCR-GWCFXTLKSA-N 280.324 0.256 10 10 CCCE C[C@H](NCCCNS(C)(=O)=O)c1c(O)cccc1O 230979893 RYIGIQSZECJYQS-VIFPVBQESA-N 288.369 0.688 10 10 CCCE Cc1cccc(CNC(=O)[C@@H]2C[C@@H](O)CCN2)c1O 2139749925 AKSJHCBWBJSMSE-RYUDHWBXSA-N 264.325 0.430 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@@H](O)[C@@H](C3CC3)C2)cc1 2146825721 JBILZZXULRUIFC-ZIAGYGMSSA-N 296.392 0.801 10 10 CCCE CS[C@H]1COC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2142581081 COOPUQRVWYVZQF-XVKPBYJWSA-N 285.321 0.664 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)c1c[nH]nc1C(=O)O 1952235362 YAGWVCNHKQOSBE-QMMMGPOBSA-N 263.253 0.762 10 10 CCCE Nc1ccc(CC(=O)N[C@@]2(CO)CCCNC2)cc1 1971132160 STLBHHJGLHILKX-AWEZNQCLSA-N 263.341 0.042 10 10 CCCE CCN(C(=O)Cc1ccc(O)c(O)c1)[C@H](C)C(=O)O 1971588145 HTKSKSGTBWXBLZ-MRVPVSSYSA-N 267.281 0.962 10 10 CCCE CNc1nnc([C@@H](N)Cc2ccc(O)c(O)c2)n1C 156422477 IPNKBIUQULBUAU-QMMMGPOBSA-N 263.301 0.511 10 10 CCCE Cn1cccc1C(=O)NC(=O)COc1ccc(N)cc1 38055382 XUMAWWJNEQJWPT-UHFFFAOYSA-N 273.292 0.943 10 10 CCCE CN(C)c1ccc(CNS(=O)(=O)c2cn[nH]c2)cc1 40443307 DIWRECILOSJONF-UHFFFAOYSA-N 280.353 0.954 10 10 CCCE 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10 10 CCCE C[C@H]1[C@@H](O)CN1c1cc2c(cc1[N+](=O)[O-])OCCO2 2126125751 YKWJSLBUPZINMW-XVKPBYJWSA-N 266.253 0.935 10 10 CCCE COc1cccc(O)c1CN1C[C@H](O)CC12CNC2 2130047686 QHFQUXRSROKSHW-SNVBAGLBSA-N 264.325 0.309 10 10 CCCE C[C@@H]1C(=O)NCCN1c1ccc(CO)c([N+](=O)[O-])c1 2132057479 DVXUGSACMXTXFR-MRVPVSSYSA-N 265.269 0.412 10 10 CCCE CC[C@@H](CNC(=O)c1cc(O)c(O)c(O)c1)N(C)C 2132348110 FBIBSYRJTLOOGX-VIFPVBQESA-N 268.313 0.873 10 10 CCCE Nc1ccc(CCN2C[C@H]3COC[C@@H](C2)[C@H]3O)cc1 2132548355 SPFXZGLKTGQTMY-AGGWBTHJSA-N 262.353 0.750 10 10 CCCE C[C@@H]1[C@H](O)CCN1c1cc2c(cc1N)OCCO2 1914258860 JTYIJNRCTUHLLX-LDYMZIIASA-N 250.298 1.000 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3CCC[C@@H](CO)C3)cc21 222098991 MGXDVYYILFXSKM-QMTHXVAHSA-N 275.352 0.872 10 10 CCCE CCOC(=O)[C@@H](NC=O)[C@@H](O)c1ccc(N(C)C)cc1 1917188863 ZZYVHMLWCGJMEV-STQMWFEESA-N 280.324 0.464 10 10 CCCE CC1(NCc2cc(F)ccc2O)CS(=O)(=O)C1 1918377752 MFZKAZIGFMVLBJ-UHFFFAOYSA-N 259.302 0.808 10 10 CCCE O=C(O)[C@@H]1C[C@@H](O)CCN1Cc1c(O)cccc1F 2136393879 QZOZBAMEFAONNC-KWQFWETISA-N 269.272 0.941 10 10 CCCE C[C@H](O)[C@@H]1CCN(C(=O)c2ccc(O)c(O)c2)C1 227688773 AXQWBKCXWLZUAD-WCBMZHEXSA-N 251.282 0.941 10 10 CCCE COc1cc(N2C[C@H]3C[C@H]2CS3(=O)=O)ccc1CO 2139699615 YBULNSVASCAQCZ-NWDGAFQWSA-N 283.349 0.563 10 10 CCCE COc1cc(N2CC(n3ccnn3)C2)ccc1CN 2139699192 RURSKRJOSSAAHE-UHFFFAOYSA-N 259.313 0.807 10 10 CCCE Cc1cccc(CNC(=O)[C@@H]2CNC[C@H](O)C2)c1O 2139764559 RECLTTMBWKTDRD-NWDGAFQWSA-N 264.325 0.287 10 10 CCCE O=C(Cn1ccc2c(c1=O)CNCC2)NCc1ccccc1 1930895460 YYIXJOXXXGXQTE-UHFFFAOYSA-N 297.358 0.810 10 10 CCCE O=C1NC[C@@H](COc2ccc(N3CCNCC3)cc2)O1 148430173 BIWJNGVMVDAVBN-ZDUSSCGKSA-N 277.324 0.583 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1C[C@@H](CCO)[C@@H](CO)C1 2149908645 SSGCSEWWUOMXTM-GHMZBOCLSA-N 281.308 0.161 10 10 CCCE CCO[C@H](CN)CC(=O)NCCc1ccc(O)c(O)c1 2148002389 AUYKPJHFXQKNTR-NSHDSACASA-N 282.340 0.510 10 10 CCCE CN[C@@H](c1cnnn1C)[C@H](O)c1ccc(N(C)C)cc1 2148247407 XKKKDGSFDDYVLH-UONOGXRCSA-N 275.356 0.875 10 10 CCCE CCNCc1ccc(N2CC(OCC(N)=O)C2)c(F)c1 2145376547 CKKFLZQYEPDMSH-UHFFFAOYSA-N 281.331 0.626 10 10 CCCE COc1ccc(O)c(CNCc2nc(C(N)=O)co2)c1 2160640405 JVRHICBAENEYPK-UHFFFAOYSA-N 277.280 0.778 10 10 CCCE Cn1cc(S(=O)(=O)NCc2ccccc2O)cc1CO 2157767815 KRKGOBJLBUACJR-UHFFFAOYSA-N 296.348 0.702 10 10 CCCE CC[C@](C)(NC(=O)c1cccc(O)c1O)C(N)=O 310984119 JWQNPXCMDMRRAE-LBPRGKRZSA-N 252.270 0.482 10 10 CCCE [N-]=[N+]=NCCNC(=O)Cn1nnc(-c2cccs2)n1 701297654 WNELHRGXQQFDKX-UHFFFAOYSA-N 278.301 0.828 10 10 CCCE CSCC[C@H](NC(N)=O)C(=O)NCCCCN=[N+]=[N-] 701263320 CSNOKURUTZWNRQ-QMMMGPOBSA-N 288.377 0.983 10 10 CCCE CNCc1cc(F)c(N2C[C@@H](CO)[C@@H](CO)C2)c(F)c1 704765922 WVURZLYBANHGCT-PHIMTYICSA-N 286.322 0.721 10 10 CCCE CCN[C@H]1C(=O)Nc2cc(N3CC(F)(CO)C3)ccc21 2172926953 USUYQTNEVVBBEN-GFCCVEGCSA-N 279.315 0.810 10 10 CCCE COc1ccc(O)c(CN2CCO[C@@H]3CNC[C@H]32)c1 686532899 FMZFDOJYOIUUMC-TZMCWYRMSA-N 264.325 0.573 10 10 CCCE Oc1ccc(CNCCn2cncn2)c(O)c1O 381964430 ZVWPMJRESHSSIT-UHFFFAOYSA-N 250.258 0.185 10 10 CCCE C[C@@H]1[C@@H](CO)CCN1S(=O)(=O)Cc1ccc(N)cc1 385771576 YTZVMOCGNVFPSA-ZYHUDNBSSA-N 284.381 0.801 10 10 CCCE CN1CCc2cc([C@H](N)[C@@H]3[C@@H]4CS(=O)(=O)C[C@@H]43)ccc21 2174573867 PQPWHDVDKFKDGE-NEBZKDRISA-N 292.404 0.969 10 10 CCCE Cc1cc(O)n2ncc(C(=O)N3CC[C@@]3(C)CO)c2n1 2063163640 KKQMDKLUDSPZHS-ZDUSSCGKSA-N 276.296 0.340 10 10 CCCE CN1CCN(c2cc3c(cc2N)OCC(=O)N3)[C@@H]2C[C@@H]21 2168356157 VFUXLPJKSBHZDG-NWDGAFQWSA-N 274.324 0.492 10 10 CCCE O=C(N[C@H]1CCOC[C@@H]1C(=O)O)c1cccc(O)c1O 2176120336 KFESWGIDMMSFAR-IUCAKERBSA-N 281.264 0.317 10 10 CCCE NC[C@@H]1CN(c2ncnc(O)c2N)Cc2ccccc21 2176215477 JGHDBELDLYHKBH-SNVBAGLBSA-N 271.324 0.827 10 10 CCCE Nc1ccc(OCCNC(=O)[C@H]2C=C[C@@H]2C(=O)O)cc1 2176471594 KAPHLRHKVSEZHA-RYUDHWBXSA-N 276.292 0.651 10 10 CCCE Nc1ccc(NC(=O)CN2CCn3ncnc3C2)cc1 2170410119 LJFZGVTWHUWSEH-UHFFFAOYSA-N 272.312 0.315 10 10 CCCE NC(=O)COC1CN(c2ccc3c(c2)CCC[C@@H]3N)C1 2184689389 OKBJVWMOGKCWHZ-AWEZNQCLSA-N 275.352 0.713 10 10 CCCE C[C@H](O)c1cc(F)c(N2CC(=O)NC(=O)[C@@H]2C)c(F)c1 2194515105 FPAVITXRWURSDE-BQBZGAKWSA-N 284.262 0.869 10 10 CCCE COC[C@@](O)(CN)c1ccc2c(c1)CCCN2C 2044729061 FOBITXMFXJIZJV-AWEZNQCLSA-N 250.342 0.862 10 10 CCCE C[C@]1(CN)CCN(c2cc3c(cc2N)OCC(=O)N3)C1 2191581528 LRLYOLBWELHRBV-CQSZACIVSA-N 276.340 0.775 10 10 CCCE N[C@H]1CCOC[C@H]1CC(=O)C(=O)C[C@H]1C[C@H](N)C1 2049782690 LTRYHAFSBDBBQD-DBIOUOCHSA-N 254.330 0.006 10 10 CCCE N[C@H](C[C@@H]1CCCO1)C(=O)C(=O)C[C@H]1C[C@H](N)C1 2049781833 ZPRZRQMWUIQGEC-XWLWVQCSSA-N 254.330 0.148 10 10 CCCE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2NCc1cccc(F)c1O 2054267935 PTTHTICCWCOSTN-JZYVYDRUSA-N 271.313 0.664 10 10 CCCE Cc1cccc(CN[C@@H]2[C@H]3CS(=O)(=O)C[C@H]32)c1O 2054277110 CIAKJEUNTSAZHH-GDNZZTSVSA-N 267.350 0.833 10 10 CCCE CC1(C)[C@@H](NC(=O)c2ccc(O)c(O)c2)[C@@H]1C(=O)O 2104626816 YXAVTJUMIZDJGF-ZJUUUORDSA-N 265.265 0.937 10 10 CCCE N[C@@H]1CCc2cc(N3CC[C@H]4C[C@H]3[C@H](O)[C@H]4O)ccc21 2199530110 BTKLXMNNEBZPCA-MNNDFKHZSA-N 274.364 0.953 10 10 CCCE CCC1(CNC(=O)c2ccc(O)c(O)c2)CNC1 2057853158 WHMZLCWZOMSQRE-UHFFFAOYSA-N 250.298 0.827 10 10 CCCE CN1CC[C@H](NCc2ccc(O)c(O)c2)CC1=O 2068227877 AERINXFHHOCLSY-JTQLQIEISA-N 250.298 0.808 10 10 CCCE OC[C@@H]1COCC[C@H]1NCc1ccc(O)cc1O 2072991832 TUQKBAGTOVEUFI-ZYHUDNBSSA-N 253.298 0.585 10 10 CCCE C[C@]1(O)CCN(c2ccc(CN)cc2)C[C@@]1(C)O 2074157699 WXGROSAKCOUHOC-UONOGXRCSA-N 250.342 0.857 10 10 CCCE Cc1cccc(CNC(=O)[C@@H]2CNC[C@H]2F)c1O 2084058673 JRVXUBSVUOAHOV-GHMZBOCLSA-N 252.289 0.874 10 10 CCCE OCc1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CF)c(Cl)c1 2084798635 PGPVATQEDZYOPL-SRVKXCTJSA-N 275.707 0.712 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1C[C@@H]2C[C@H](C[C@H]2O)C1 2107285835 MGSFFEAZTAALID-UBHAPETDSA-N 263.293 0.941 10 10 CCCE C[C@H](C(=O)Nc1ccc(N)cc1)N1C[C@](C)(O)CO1 2093403092 UYFFKFTWLDOZSX-RNCFNFMXSA-N 265.313 0.594 10 10 CCCE O=C1CCC[C@H](Cn2ccc3c(c2=O)CNCC3)N1 2094406454 GFIKLHDTFQJBEC-LLVKDONJSA-N 261.325 0.163 10 10 CCCE COCCCOCCn1ccc2c(c1=O)CNCC2 2094406683 IYGMHKZZFZVGSU-UHFFFAOYSA-N 266.341 0.547 10 10 CCCE O=[N+]([O-])c1ccc(N2C[C@@H](O)C(F)(F)C2)cc1CO 2095739863 DSJDFLPGPLJIFO-SNVBAGLBSA-N 274.223 0.903 10 10 CCCE COc1ccc(N2CCNC[C@@H]2C(=O)O)cc1OC 606608865 UZSOWWITCTVGKB-SNVBAGLBSA-N 266.297 0.567 10 10 CCCE COc1cc(N2CC[C@H](N3CC(O)C3)C2)ccc1CN 2204559184 MBDGASBSWIPVHQ-ZDUSSCGKSA-N 277.368 0.409 10 10 CCCE Cc1cccc(CNC(=O)[C@H]2[C@@H]3CS(=O)(=O)C[C@@H]32)c1O 2204629632 MJCXZYLPCWAWFN-GDNZZTSVSA-N 295.360 0.607 10 10 CCCE O[C@@H]1CN(c2ccc3c(c2)OCCCO3)C[C@H]1O 2219647099 KOMTZVBCYQUIBM-GHMZBOCLSA-N 251.282 0.390 10 10 CCCE [N-]=[N+]=NCCCN1C[C@@H]2[C@H]3C[C@@H]([C@H](O)[C@@H]3O)[C@@H]2C1 2221346866 WNTMPLRJJSYNTM-MOCCIAMBSA-N 252.318 0.606 10 10 CCCE CNCc1cc(OC)ccc1N1C[C@@H]2[C@H](C(N)=O)[C@@H]2C1 2235966534 URIUMAUHSJKXQS-DABQJJPHSA-N 275.352 0.582 10 10 CCCE COc1ccc(N2C[C@H]3COC[C@@]3(CO)C2)c(CN)c1 2235964602 UCZIVPHAANKLDY-WFASDCNBSA-N 278.352 0.599 10 10 CCCE COc1ccc(N2C[C@H](OC)C[C@@H]2CO)c(CN)c1 2227675293 GSQWSUUDGZOWGT-DGCLKSJQSA-N 266.341 0.740 10 10 CCCE COc1cccc(CN[C@@H]2C[C@H](O)[C@@H]2OC)c1O 2258675094 SVJAZHGDYXOANW-GBIKHYSHSA-N 253.298 0.639 10 10 CCCE CSc1ncc(CNC[C@H]2CNCCN2C)s1 2248742252 ZYNVSCLRBHESNM-SECBINFHSA-N 272.443 0.858 10 10 CCCE O[C@H]1CCN(c2ccc3c(c2)OCCO3)CC[C@H]1O 2269157365 YLXVUGFAEVRHBQ-TXEJJXNPSA-N 265.309 0.780 10 10 CCCE Nc1ccc(OCCCN2CC[C@H](O)[C@@H](O)CC2)cc1 2284563845 RDOBTVJWXMUZOL-GJZGRUSLSA-N 280.368 0.855 10 10 CCCE Nc1ccc(OCCN2C[C@H]3OCC[C@@]3(CO)C2)cc1 2296351686 AMYPJQGTGSINLZ-CABCVRRESA-N 278.352 0.731 10 10 CCCE CCS(=O)(=O)N(C)Nc1nc(CC(=O)O)cs1 2301525777 WYFMEEDQJMKGHU-UHFFFAOYSA-N 279.343 0.379 10 10 CCCE C[C@@H](NC(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-])S(C)(=O)=O 2312333799 AXGIOIDYZSUOBO-RNJXMRFFSA-N 275.334 0.908 10 10 CCCE O=C(N[C@H]1C[C@H]2CNC[C@@H]1C2)c1ccc(O)c(O)c1 2329451068 YVBSSHUPFDFHBX-LSJOCFKGSA-N 262.309 0.826 10 10 CCCE C[C@H](c1c(O)cccc1O)N1C[C@H]2CS(=O)(=O)[C@@H]2C1 2336547836 DCFRCVRXQCLKAK-VDDIYKPWSA-N 283.349 0.888 10 10 CCCE Nc1ccc(OCC(=O)OC[C@H]2CNC(=O)C2)cc1 2353014501 XFZGPYRGAIRAPQ-SECBINFHSA-N 264.281 0.327 10 10 CCCE CC(=O)N(C)C1CN(C(=O)Cc2ccc(N)cc2)C1 2353355430 FZUNDJKJUYRTSO-UHFFFAOYSA-N 261.325 0.500 10 10 CCCE CN(Cc1ccc(N)cc1)S(=O)(=O)CS(C)(=O)=O 129935762 VMWHDTFYBBGEAU-UHFFFAOYSA-N 292.382 0.033 10 10 CCCE CC(=O)N[C@H]1CCN(c2ccc3c(c2)N(C)C(=O)[C@H]3N)C1 228283247 AEZQSKRQKYYZRJ-HZMBPMFUSA-N 288.351 0.378 10 10 CCCE COC(=O)C[C@@H](C)NC(=O)c1ccc(O)c(O)c1 385330901 PUOSQKIYLHJUAD-SSDOTTSWSA-N 253.254 0.779 10 10 CCCE O=C(N[C@H]1C=CS(=O)(=O)C1)c1ccc(O)c(O)c1 236566990 TUITUQJCAXJHBN-QMMMGPOBSA-N 269.278 0.138 10 10 CCCE CCOC(=O)[C@]1(NCCN=[N+]=[N-])CN2CCC1CC2 90257282 JGLXZGUBKCWZQE-LBPRGKRZSA-N 267.333 0.914 10 10 CCCE CN(c1cc2c(cc1Cl)[C@@H](O)C(=O)N2)[C@@H]1COC[C@H]1O 708618272 KKXSHCKOPNROSP-IJLUTSLNSA-N 298.726 0.521 10 10 CCCE COc1ccc(O)c(CN2CCOC[C@@H](O)C2)c1 294736216 GRWYHUGOPVNTKT-NSHDSACASA-N 253.298 0.594 10 10 CCCE CN[C@@H](c1ccc(N(C)C)cc1)[C@H](O)c1cn(C)nn1 2163137035 ZEEGZSRMLCWHNC-UONOGXRCSA-N 275.356 0.875 10 10 CCCE COCCS(=O)(=O)C[C@H](O)COc1ccc(N)cc1 722437818 AYOGXRIHAPQOQK-LLVKDONJSA-N 289.353 0.070 10 10 CCCE Nc1ccc(CC(=O)N2CC[C@@H](O)[C@H](F)C2)cc1 1157854612 GAPCCWNQCITGPE-VXGBXAGGSA-N 252.289 0.743 10 10 CCCE OCCO[C@]1(CNCc2ccccc2O)CCOC1 850358119 HIPQBBJKUSEJQP-AWEZNQCLSA-N 267.325 0.650 10 10 CCCE Cc1c([N+](=O)[O-])cc([C@@H](N)CO)c(O)c1[N+](=O)[O-] 72199255 ZZXCZWIUSPCTJY-LURJTMIESA-N 257.202 0.509 10 10 CCCE NC(=O)N1CC(CNCc2cc(F)cc(F)c2O)C1 1875453029 AWEICPKSINXMFH-UHFFFAOYSA-N 271.267 0.771 10 10 CCCE Nc1ccc(NC(=O)NC[C@H]2C[C@@H](CO)CO2)cc1 1876148488 GVIUYBIDCBTMKN-JOYOIKCWSA-N 265.313 0.788 10 10 CCCE C[C@H]1CN(C(=O)COc2ccc(N)cc2)C[C@@H](C)N1 1876455911 JODWBVANKSOGMC-PHIMTYICSA-N 263.341 0.856 10 10 CCCE Nc1cc2c(cc1N1CC3(CNC3)C1)NC(=O)CO2 1876670027 ZDIYRYJBHGVWLF-UHFFFAOYSA-N 260.297 0.009 10 10 CCCE COc1ccc(O)c(CNC(=O)NCc2cn(C)nn2)c1 783222293 MPXCKRUTUAVZBU-UHFFFAOYSA-N 291.311 0.529 10 10 CCCE NC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 1135517648 NUFCGPBIHIZKAA-SNVBAGLBSA-N 278.308 0.364 10 10 CCCE Nc1ccc(CC(=O)NCC[C@H]2CCNC2=O)cc1 1887166847 XFIIDPRLXIWYDO-NSHDSACASA-N 261.325 0.454 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@H](CCO)C1 1963565940 SKFLXMOXSWDLQL-SNVBAGLBSA-N 265.309 0.871 10 10 CCCE COC(=O)[C@H](NCCN=[N+]=[N-])[C@H]1OCCOC1(C)C 1889139905 BTULSQKBXLZMDY-RKDXNWHRSA-N 272.305 0.622 10 10 CCCE COC(=O)c1c(O)ccc2c1[C@@H]1OC(=O)C[C@@H]1O2 82312344 JKOMTGRFQYPQJT-WRWORJQWSA-N 250.206 0.928 10 10 CCCE C[C@@]12CNC[C@]1(C)CN(C(=O)c1cc(O)nc(O)c1)C2 702415023 KGGZMWYQTUCINT-OKILXGFUSA-N 277.324 0.564 10 10 CCCE CC1(CCNC(=O)c2ccc(O)c(O)c2)OCCO1 716006406 XSVHVMMHWNHGRE-UHFFFAOYSA-N 267.281 0.981 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H]1C[C@H]1C1CC1 717031045 TVUKONJDNDESRA-SRVKXCTJSA-N 276.336 0.882 10 10 CCCE CO[C@H]1CS(=O)(=O)C[C@@H]1N(C)c1ccc([C@@H](C)O)cc1 696824619 RSSOHVPKHBQJHT-SWHYSGLUSA-N 299.392 0.988 10 10 CCCE Nc1ccc(CC(=O)N[C@H]2COC[C@H]2C(=O)O)cc1 90366362 JCMYZKIHSKLIIT-MNOVXSKESA-N 264.281 0.027 10 10 CCCE O=C(O)[C@@H]1CN(C(=O)c2cccc(O)c2O)C[C@@H]1F 2120647194 XBZPWENBKWGSGY-SFYZADRCSA-N 269.228 0.593 10 10 CCCE COc1ccc(N2CC[C@@H](CO)[C@@H](N)C2)cc1OC 2122381587 NVVLCLXFCQSPFQ-JQWIXIFHSA-N 266.341 0.850 10 10 CCCE CC1(C)OC[C@@H](NC(=O)c2cccc(O)c2O)[C@@H]1N 1911072247 FLPPSZSWUPGOMD-KCJUWKMLSA-N 266.297 0.332 10 10 CCCE Cn1cc(CCNC(=O)Cc2ccc(O)c(O)c2)cn1 1624922975 QYYGRSZJUUWAMP-UHFFFAOYSA-N 275.308 0.733 10 10 CCCE O=C1N[C@H](C(=O)NCc2ccc3cccnc3c2O)CO1 1627072673 DHDYBGHMVOGQIX-JTQLQIEISA-N 287.275 0.665 10 10 CCCE CNC(=O)[C@@]1(C)CCN(C(=O)Cc2ccc(O)c(O)c2)C1 1556405694 DSGJFQICIJBERC-HNNXBMFYSA-N 292.335 0.625 10 10 CCCE O=C(NCc1cc(O)ccc1O)c1nc2ncccn2n1 1633598976 JPYMDFXIYKEPDA-UHFFFAOYSA-N 285.263 0.466 10 10 CCCE Cn1cnnc1COCC(=O)NCc1cc(O)ccc1O 1643881738 CRUALZOBMRNLQR-UHFFFAOYSA-N 292.295 0.059 10 10 CCCE Nc1ccc(O)c(CN2C[C@@H](CO)OCC23CC3)c1 2127543688 RWNMSLMMCIBQPR-LBPRGKRZSA-N 264.325 0.700 10 10 CCCE COC[C@@H]1CNCCN1c1ccc2c(c1)OCCO2 259190185 MFOFZUQKQOTZSB-LBPRGKRZSA-N 264.325 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Nc1ccc(NC(=O)CN2C[C@H]3OCCO[C@@H]3C2)cc1 2149764843 NQPCWJVHDDOBAX-CHWSQXEVSA-N 277.324 0.307 10 10 CCCE C[C@@]1(NC(=O)c2ccc(O)c(O)c2)CCCNC1 2027844818 FHHIWOUNGFIQTL-CYBMUJFWSA-N 250.298 0.970 10 10 CCCE O=S1(=O)C[C@H]2CCN(c3ccc(CO)cc3)[C@H]2C1 2033882357 XGHLKYUVQMOFFP-YPMHNXCESA-N 267.350 0.802 10 10 CCCE COCCNCc1ccc(N2CCS(=O)CC2)cc1 62737420 LKYRIGOXFWFHGP-UHFFFAOYSA-N 282.409 0.991 10 10 CCCE Nc1ccc(OCCN2CCC[C@@H]3C(=O)NC[C@H]32)cc1 300163295 QUALLBACOHUWOM-UONOGXRCSA-N 275.352 0.858 10 10 CCCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2)CC1 2038002886 QLMVFYKWOSMBBG-BDAKNGLRSA-N 251.290 0.956 10 10 CCCE COC[C@](O)(CO)CNCc1cc(C)ccc1O 2040782617 RVDOTGSCRFRUGN-CYBMUJFWSA-N 255.314 0.160 10 10 CCCE CC[S@@](N)(=O)=N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 404525784 SFGZAVCMPBZWSC-YLVJLNSGSA-N 288.325 0.455 10 10 CCCE CNCc1ccc(N2CC[C@](O)(CO)C2)c(F)c1 313952784 IBXMJTAEORSPJR-CYBMUJFWSA-N 254.305 0.479 10 10 CCCE COCCN(CC(N)=S)C(=O)c1ccc(O)c(O)c1 316797363 CBRWYRZYIAXDAP-UHFFFAOYSA-N 284.337 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O=C1CN(c2ccc3c(c2)NC(=O)[C@@H]3O)[C@@H]2CC[C@H]2N1 2168362291 LMEAMNZNOYWVRQ-IRUJWGPZSA-N 273.292 0.139 10 10 CCCE CC[C@]1(CO)COCCN1C(=O)Cc1ccc(N)cc1 2169068076 CLIHMRNGTHBBCL-HNNXBMFYSA-N 278.352 0.811 10 10 CCCE C[C@H](O)c1ccc(N2CC(=O)NC[C@@H]2C)c([N+](=O)[O-])c1 2181166760 CVNNFBWSKZXVAN-IUCAKERBSA-N 279.296 0.973 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3CC4(CC[C@H]4O)C3)cc21 2179704648 VOCZPQLFQOTUMR-CHWSQXEVSA-N 273.336 0.624 10 10 CCCE NCc1ccc(N2CCC[C@]3(CNC(=O)N3)C2)cc1F 2177694670 XJOCHOPLWNFNAO-AWEZNQCLSA-N 278.331 0.936 10 10 CCCE CC(=O)N[C@@](C)(Cc1ccc(O)c(O)c1)C(=O)O 2081108375 IJJHGPVRYBJAJX-LBPRGKRZSA-N 253.254 0.620 10 10 CCCE Cc1cc(N2CC([C@H]3NC(=O)NC3=O)C2)ccc1CO 2184961536 GYBIADRPJDNYOS-GFCCVEGCSA-N 275.308 0.132 10 10 CCCE CN1CCc2cc([C@]3(O)CCS(=O)(=O)C3)ccc21 2044709821 BQZKPTGYNVQTLW-ZDUSSCGKSA-N 267.350 0.685 10 10 CCCE COC(=O)c1cccc(N)c1N[C@@H](C)[C@H](O)CO 2046432109 FDDREBZERMDSHM-OIBJUYFYSA-N 254.286 0.209 10 10 CCCE Oc1c(F)cc(F)cc1CN[C@@H]1C[C@@H](O)C[C@@H]1O 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Cc1cc(N2C[C@@H](CO)[C@@H](O)C2)ccc1[C@@H](C)N 2257458643 PFTJLJDFGRRLJW-SUNKGSAMSA-N 250.342 0.804 10 10 CCCE CSc1ncc(CNS(=O)(=O)[C@H]2C[C@H](N)C2)s1 2248607790 GNSDRWWFJDHQOI-FKQCQYRASA-N 293.439 0.774 10 10 CCCE Nc1ccc(CN2CC(O)(C(F)(F)CO)C2)cc1 2260089130 WRFURBHFWHSRRC-UHFFFAOYSA-N 258.268 0.443 10 10 CCCE Nc1ccc(NC(=O)CN2C[C@@H]3C[C@H](C2)[C@H]3O)cc1 2270705306 OEVOOADJJUKWKW-WDAIWFPHSA-N 261.325 0.520 10 10 CCCE NCc1ccc(N2CC(O)(C(F)(F)CO)C2)c(F)c1 2272883414 GNBKJIKAKZBVHB-UHFFFAOYSA-N 276.258 0.463 10 10 CCCE Nc1ccc(OCC(=O)N[C@H]2COC(=O)C2)cc1 2264175331 ZMAHTAOLNGGJPI-SECBINFHSA-N 250.254 0.079 10 10 CCCE Cc1cc(N2CC(NS(C)(=O)=O)C2)ccc1[C@@H](C)N 2269651631 NIGLKHFXCBARIJ-SNVBAGLBSA-N 283.397 0.753 10 10 CCCE NC(=O)C[C@H]1CCCN1C(=O)c1ccc(O)c(O)c1 2270058487 HBEQUWCRNIWJQE-SECBINFHSA-N 264.281 0.578 10 10 CCCE COc1cc(OC)c(N2CCOC[C@@H](O)C2)c(OC)c1 2287068409 LIKYHVWMSJPGIU-JTQLQIEISA-N 283.324 0.910 10 10 CCCE CNCc1ccc(N2C[C@@H]3C[C@H]2[C@@H](O)[C@H]3O)c(F)c1 2329332370 LALKPIABZGCBJA-NZPIUUIZSA-N 266.316 0.475 10 10 CCCE Nc1ccc(O)c(CN2C[C@H]3C[C@H](O)[C@@H](O)[C@@H]2C3)c1 2330394276 FRWIPOGNEMGYQW-DWVUBDKYSA-N 264.325 0.290 10 10 CCCE C[C@H](NCCS(=O)(=O)CCO)c1cc(O)ccc1O 2335768357 YWBTUCLDDMEDIJ-VIFPVBQESA-N 289.353 0.156 10 10 CCCE CN(C)C[C@](C)(O)CNCc1cc(F)ccc1O 180848811 ZQALBPGUTSXVMB-CYBMUJFWSA-N 256.321 0.934 10 10 CCCE O=C(NC[C@@H]1CCCNC1)c1ccc(O)c(O)c1 236562236 RLTROKZOMPQNIQ-SECBINFHSA-N 250.298 0.827 10 10 CCCE COc1cc2c(cc1OC)[C@](CN)(N(C)C)CN2C 527416358 JNVKZOIRLDITBI-CQSZACIVSA-N 265.357 0.869 10 10 CCCE CN(CCCO)CC(=O)NCc1ccc(N(C)C)cc1 281941247 TYXDPGFKUCHJRX-UHFFFAOYSA-N 279.384 0.683 10 10 CCCE CO[C@H]1C=CCN(C[C@@H](O)COc2ccc(N)cc2)C1 2165070871 VLZYOPLLBCLGQH-HIFRSBDPSA-N 278.352 0.895 10 10 CCCE N[C@H](c1ccc(Br)cc1O)[C@@H](O)CO 713720037 FSYANAWZXIFPRI-DTWKUNHWSA-N 262.103 0.508 10 10 CCCE CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H](O)C(C)(C)O 900894823 HOVWYVPJQFZLGF-CYBMUJFWSA-N 294.351 0.610 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H](O)C1CC1 1545430631 MIVDBPBKCYQTJW-GFCCVEGCSA-N 251.282 0.527 10 10 CCCE CON1CC[C@@H](OC(=O)c2cccc(O)c2O)C1=O 922620501 SZYUBONJFVZUHZ-SECBINFHSA-N 267.237 0.417 10 10 CCCE O=C(NCc1ccc(O)c(O)c1)c1cn2c(n1)COCC2 860243043 DGVYWTLCVSUBPI-UHFFFAOYSA-N 289.291 0.755 10 10 CCCE NCC=CCNS(=O)(=O)CCOc1ccc(N)cc1 1876404132 RWNHZEPRJMYTNH-UHFFFAOYSA-N 285.369 0.082 10 10 CCCE CN(C)C(=O)CCCC(=O)NCc1cccc(O)c1O 1123977283 DOHUCPNSTHHZGL-UHFFFAOYSA-N 280.324 0.973 10 10 CCCE C[C@@H](NC(=O)CN1CC[C@@H](N)C1)c1ccccc1O 1877589124 ZEKCVWMWTWXQCC-GHMZBOCLSA-N 263.341 0.602 10 10 CCCE C[C@H](O)c1cc(F)c(N2C[C@H](O)[C@@H](CO)C2)c(F)c1 1880482882 SSTCFMDOMSPQQG-VMAXQDLPSA-N 273.279 0.808 10 10 CCCE CNCc1ccc(N2C[C@H](O)C[C@H]2CN(C)C)cc1 249853629 NTEZDXJUGBOXSY-LSDHHAIUSA-N 263.385 0.907 10 10 CCCE O=C(O)C1=C[C@@H](c2ccccc2O)NC(=S)N1 76259982 PHLYYRRWONGOBR-ZETCQYMHSA-N 250.279 0.880 10 10 CCCE O=C(/C=C\c1ccc(O)c(O)c1)NCCN1CCNC1=O 1178036145 UZPCWBOHCVJCCN-RQOWECAXSA-N 291.307 0.252 10 10 CCCE CO[C@H]1CS(=O)(=O)C[C@@H]1NCc1cccc(F)c1O 697277616 KETAXEPQCFABGG-QWRGUYRKSA-N 289.328 0.433 10 10 CCCE Nc1ccc(CS(=O)(=O)NC[C@H]2CCC[C@@H]2O)cc1 89161160 JRPCKOGWIDPRQW-YPMHNXCESA-N 284.381 0.849 10 10 CCCE CN(c1ncnc2c1CCNCC2)c1ccnn1C 2116346021 YUEMBVNYLHHPCP-UHFFFAOYSA-N 258.329 0.666 10 10 CCCE CC(=O)c1cn(CC(=O)NCc2c(O)cccc2O)nn1 1558536137 UDUNRHQLMYTRRW-UHFFFAOYSA-N 290.279 0.208 10 10 CCCE NC(=O)c1cc(C(=O)NCc2c(O)cccc2O)co1 1645363513 YHMWDQWQXFUKGR-UHFFFAOYSA-N 276.248 0.720 10 10 CCCE [N-]=[N+]=N[C@H]1CCCN(C(=O)C2CS(=O)(=O)C2)C1 1912153832 DSEJIFDOUGSVDR-QMMMGPOBSA-N 258.303 0.332 10 10 CCCE Cn1c(=O)c2[nH]c(Nc3ccc(N)cc3)nc2n(C)c1=O 19802463 CMQRSAYSHNFRKS-UHFFFAOYSA-N 286.295 0.286 10 10 CCCE CO[C@@H](CNC(=O)c1cccc(O)c1O)[C@@H]1CCOC1 855210283 MFXBGIWOMXSIJK-SKDRFNHKSA-N 281.308 0.879 10 10 CCCE C[C@@H](O)[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CCO1 1556995427 FZWHVOYUHKWLDG-NOZJJQNGSA-N 281.308 0.249 10 10 CCCE CN1C[C@@H]2C[C@H]1CN2c1ccc2c(c1)NC(=O)[C@H]2O 2131062772 AYAZSTLDEYDJGH-KWBADKCTSA-N 259.309 0.565 10 10 CCCE C[C@H]1[C@@H](CO)CCN1C(=O)c1cc(O)c(O)c(O)c1 2132348500 MVIVPGYHEQLDRS-JGVFFNPUSA-N 267.281 0.646 10 10 CCCE CCN(c1ccc(N)cc1)S(=O)(=O)N1CC(O)C1 1914168941 DZRRNHMWNBQFDT-UHFFFAOYSA-N 271.342 0.016 10 10 CCCE CNC(=O)[C@@H](C)N(C)c1ccc2c(c1)N(C)C(=O)[C@@H]2N 1916819471 WTHJRDKAKVFUGI-PRHODGIISA-N 276.340 0.234 10 10 CCCE CNC(=O)[C@H](C)CN(C)c1ccc(CN)c(OC)c1 2139700485 KIPIJCMLGKKPRQ-SNVBAGLBSA-N 265.357 0.972 10 10 CCCE COc1cc(N2C[C@H](O)[C@@H](O)C2(C)C)ccc1CO 2139703841 DJARDOXAEGZXMJ-WCQYABFASA-N 267.325 0.508 10 10 CCCE C[C@H](O)CCCNS(=O)(=O)Cc1ccc(N)cc1 227524211 VTCSTMIDIAJIRC-JTQLQIEISA-N 272.370 0.849 10 10 CCCE C[S@](=O)(CCN)=NC(=O)Cc1ccc(O)c(O)c1 1924722781 QJSXGPXQBIVJPH-SFHVURJKSA-N 272.326 0.223 10 10 CCCE C[C@H](c1ccccc1O)N1CCNC(=O)[C@H]1CC(=O)O 251537112 NXWJPZDVIOIJBB-MWLCHTKSSA-N 278.308 0.728 10 10 CCCE CCN(CC(N)=O)[C@H](C)C(=O)Nc1ccc(N)cc1 231814656 KFEHRBKOHHBKOT-SECBINFHSA-N 264.329 0.403 10 10 CCCE CS[C@H]1COC[C@@H]1NC(=O)COc1ccc(N)cc1 2142556501 URSMOIJODVXDLD-RYUDHWBXSA-N 282.365 0.894 10 10 CCCE Oc1ccc(CNCc2nncs2)c(O)c1O 1945677518 KQDVFXGZIFVRFM-UHFFFAOYSA-N 253.283 0.945 10 10 CCCE COC(=O)C1(Cc2ccc(O)c(CN(C)C)c2)CNC1 1952393477 FXJWSSMVMGPPMC-UHFFFAOYSA-N 278.352 0.759 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1C[C@@H]2CNCC[C@H]2C1 2144025706 QAOKMYVRPGOBHX-RYUDHWBXSA-N 276.336 0.708 10 10 CCCE C[C@]1(CN)CN(Cc2ccccc2O)C(=O)CO1 258006500 PCVGWQXZAYOLBP-ZDUSSCGKSA-N 250.298 0.468 10 10 CCCE CN(Cc1ccc(N)cc1)C(=O)c1cn(C)c(=O)n1C 2148890064 BWFLICLTTXJMNH-UHFFFAOYSA-N 274.324 0.578 10 10 CCCE CC1(C)CN(CC(=O)Nc2ccc(N)cc2)CC(=O)N1 2150465442 PLAVOXCFZSTNLG-UHFFFAOYSA-N 276.340 0.418 10 10 CCCE C[C@@H](c1ccccc1O)N(C)S(=O)(=O)CCO 1996138098 PQXRSJDIAOIPAT-VIFPVBQESA-N 259.327 0.707 10 10 CCCE C[C@@H]1CN(C(=O)c2cccc(O)c2O)CC(=O)N1C 282331946 KLLYNGLVFGYXTR-MRVPVSSYSA-N 264.281 0.401 10 10 CCCE CN1C[C@H](O)[C@H](N2CCN(c3ccc(N)cc3)CC2)C1 2156968357 DCNLNDHHZIGNLN-CABCVRRESA-N 276.384 0.066 10 10 CCCE CN(C)c1ccc([C@@]2(C)N[C@H](C(=O)O)CO2)cc1 2027863713 PEQAUUMJTGXNMP-AAEUAGOBSA-N 250.298 0.998 10 10 CCCE CCS(=O)(=O)CCN1CCN(c2ccc(N)cc2)CC1 57809189 VEEFFQHPSUYCLR-UHFFFAOYSA-N 297.424 0.826 10 10 CCCE C[C@H](N)c1ccc(N2CC[C@@H]3C(=O)NC[C@@H]3C2)cc1O 2157183535 JFQWARKIPLPAIR-CWSCBRNRSA-N 275.352 0.984 10 10 CCCE Cc1cc(O)ccc1NS(=O)(=O)c1c(CO)cnn1C 2157739538 CZAQAZZIHQDIIU-UHFFFAOYSA-N 297.336 0.727 10 10 CCCE C[C@@H]1[C@H](Nc2c(N)cccc2C(=O)O)CCS1(=O)=O 311762250 WEXLMOKBDNECSO-GMSGAONNSA-N 284.337 0.955 10 10 CCCE C[S@](=O)CC[S@](=O)CCOc1ccc(N)cc1 319456230 OVXPKJSUTRUJRT-DLBZAZTESA-N 275.395 0.775 10 10 CCCE CC(C)[C@H](NC(N)=O)C(=O)N1CCC[C@@H]1CN=[N+]=[N-] 701264798 YAVYBOCYXQQPTO-BDAKNGLRSA-N 268.321 0.981 10 10 CCCE CC(C)NC(=O)NC(=O)CN(C)c1ccc(N)cc1 702111346 QLBIXOMLUVKZDY-UHFFFAOYSA-N 264.329 0.939 10 10 CCCE O=C1Nc2cc(N3C[C@@H](CO)[C@@H](F)C3)c(F)cc2[C@H]1O 2177139633 PCUQPEQTHBNTAW-ZKQGETEISA-N 284.262 0.578 10 10 CCCE CNCc1ccc(N2C[C@@H](CO)[C@H](CO)C2)cc1 704813884 GYEWTBJRKMNZOE-STQMWFEESA-N 250.342 0.443 10 10 CCCE COC[C@](C)(O)CNCc1ccc(O)c(O)c1O 382564207 MZFNBJPALANANS-GFCCVEGCSA-N 257.286 0.290 10 10 CCCE NC1(CNC(=O)c2ccc(O)c(O)c2)CCOCC1 697059346 YQQHCHBGFARAAM-UHFFFAOYSA-N 266.297 0.336 10 10 CCCE CC1(C)CN(C(=O)c2cc(O)nc(O)c2)CC[C@@H]1N 394087768 KXNDGRVHUFYGMZ-VIFPVBQESA-N 265.313 0.692 10 10 CCCE C[C@H]1OCC[C@H]1C(=O)NCc1c(O)cc(O)cc1O 2064401502 KWFZYACAAFQWSI-VXNVDRBHSA-N 267.281 0.845 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@]1(O)CCCNC1 852817100 OZIXTBWSTPOSGM-AWEZNQCLSA-N 264.325 0.465 10 10 CCCE [N-]=[N+]=NCC1CCN(C[C@@H](O)CN2CCCC2=O)CC1 2169779197 XMKWAFDYMJKTOH-GFCCVEGCSA-N 281.360 0.992 10 10 CCCE O=C1NC(=O)[C@@]2(CCN(c3ccc(CO)cc3F)C2)N1 2170608614 XBPGJYBPUZEGIR-ZDUSSCGKSA-N 279.271 0.106 10 10 CCCE CN(c1ccc2c(c1)NC(=O)[C@H]2O)C1COCCOC1 2188057827 ILMFHZIKILVDMZ-ZDUSSCGKSA-N 278.308 0.524 10 10 CCCE C[C@H]1CNC(=O)CN1C(=O)[C@H]1CNc2ccccc2N1 2181175078 VCPYZVXJTKMSJB-JOYOIKCWSA-N 274.324 0.240 10 10 CCCE C[C@@H]1CN(C(=O)Cc2ccc(N)cc2)C2(CC2)C(=O)N1 2188554292 QIDCRPILBKQGAX-SNVBAGLBSA-N 273.336 0.691 10 10 CCCE CCN[C@H](C)c1ccc(N2CC[C@H](O)[C@H](O)C2)cc1O 2188640841 VUXCBNDCSMJYRG-RIEGTJTDSA-N 280.368 0.995 10 10 CCCE C[C@@H](O)c1ccc(N2CC[C@H](O)[C@H](O)C2)c([N+](=O)[O-])c1 2188678560 HPOFSEKHDBACIQ-OXHMUOHRSA-N 282.296 0.580 10 10 CCCE C[C@@H]1NC(=O)CC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2188875329 PQUPYYRPJIWKJO-XPUUQOCRSA-N 280.280 0.200 10 10 CCCE CN1CCc2cc(CN3CC[C@@](O)(C(=O)O)C3)ccc21 2197560319 ZSLZNMAPLGLNOC-HNNXBMFYSA-N 276.336 0.700 10 10 CCCE C[C@]1(O)CCN(c2cc3c(cc2N)OCCO3)C[C@@H]1O 2197964402 DPNRROGPVVFVND-KBPBESRZSA-N 280.324 0.362 10 10 CCCE COCCNC(=O)CCN1CCc2cc(CN)ccc21 2189926844 UTIARVRGUJRNTA-UHFFFAOYSA-N 277.368 0.661 10 10 CCCE Cc1cccc(O)c1CN1CCC[C@@](O)(CN)C1 2042631269 OGOFPCCQKWGCKF-CQSZACIVSA-N 250.342 0.986 10 10 CCCE C[S@@](=O)(=NC(=O)Nc1ccc(N)cc1)N1CCNCC1 2191530506 OQFVITLWVACWEM-HXUWFJFHSA-N 297.384 0.719 10 10 CCCE Nc1ccc(CCC(=O)N[C@H]2CCNC[C@@H]2CO)cc1 2191656576 SXPLTROZUVPRIM-OCCSQVGLSA-N 277.368 0.288 10 10 CCCE C[C@H](O)CNCCNC(=O)CCOc1ccc(N)cc1 2191752829 XOUFLNPLUIXWBF-NSHDSACASA-N 281.356 0.124 10 10 CCCE C[C@@H]1CNC[C@@H](CC(=O)C(=O)C[C@H]2C[C@H](N)C2)O1 2058812815 STIHZSXQGZMIJM-GWOFURMSSA-N 254.330 0.019 10 10 CCCE CN1C[C@@H]2C[C@H](C1)N2C[C@H](O)COc1ccc(N)cc1 2187623040 MJJOYICKPDOCSS-MJBXVCDLSA-N 277.368 0.397 10 10 CCCE N[C@H]1COC[C@H]1CC(=O)NCCc1ccc(O)c(O)c1 2187946790 BSNQYNWCPWZYIB-MNOVXSKESA-N 280.324 0.120 10 10 CCCE NC1(C(=O)NCc2ccccc2O)CC(CO)C1 2073691827 PWWHCUHUJWHVRN-UHFFFAOYSA-N 250.298 0.108 10 10 CCCE Cc1cccc(CNC(=O)COC[C@@H](C)N)c1O 2084058510 HSRMSJCOVQTCQE-SNVBAGLBSA-N 252.314 0.681 10 10 CCCE Nc1ccc(CNS(=O)(=O)N2CCC[C@H]2CO)cc1 2105535849 DQVFKAOWCPHCHW-LBPRGKRZSA-N 285.369 0.060 10 10 CCCE CO[C@H]1CC(F)(F)CC[C@]1(NCCN=[N+]=[N-])C(N)=O 2105809996 LNEZHCFQBAFRDE-OIBJUYFYSA-N 277.275 0.945 10 10 CCCE COc1ccc2c(c1)NC(=O)[C@H]1CN(C)C(=O)CN21 2087498251 HCVFBBLZUTVSHK-LLVKDONJSA-N 261.281 0.294 10 10 CCCE [N-]=[N+]=N[C@@H]1CCN(C(=O)[C@H]2CCn3ncnc3C2)C1 2108980811 ZCOHBJSZHWKCJT-DTWKUNHWSA-N 261.289 0.752 10 10 CCCE Nc1ccc(OCC(=O)N2C[C@@H]3C[C@]3(CO)C2)cc1 2090117519 XHQGWTXPTDTYHO-IINYFYTJSA-N 262.309 0.488 10 10 CCCE O=C(CN1CC([C@H](F)CO)C1)c1ccc(O)c(O)c1 2110590686 DIYYULWUYZDERP-SNVBAGLBSA-N 269.272 0.543 10 10 CCCE Nc1ccc(CCN2CC[C@H](C(CO)CO)C2)cc1 2114240173 OAOUVMHOCREMGF-ZDUSSCGKSA-N 264.369 0.734 10 10 CCCE COc1ccc(N2CCNC[C@H]2C(=O)O)c(OC)c1 606605535 JVZRLMZERVNQMK-NSHDSACASA-N 266.297 0.567 10 10 CCCE O=C1Nc2cc(N3C[C@H]4C[C@H]3[C@H]4CO)c(F)cc2[C@@H]1O 2203020901 MBOFAPVTELMIRX-UDSXGQGJSA-N 278.283 0.628 10 10 CCCE NC(=O)CC[C@@H](N)c1nc(-c2ccc(O)c(O)c2)no1 2206118899 RJOWATICZURCEW-SSDOTTSWSA-N 278.268 0.413 10 10 CCCE CNCc1cc(OC)ccc1N(C)[C@H](C)C(N)=O 2220418269 XSMNNSHRVJAQNG-SECBINFHSA-N 251.330 0.725 10 10 CCCE COC(=O)NCC1CN(c2ccc(OC)cc2CO)C1 2236003762 UFYDQYDYAINCPQ-UHFFFAOYSA-N 280.324 0.980 10 10 CCCE C[C@@H]1Cc2cc(N3C[C@H](O)[C@H](O)[C@H]3CF)ccc2O1 2226700050 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NC(=O)NC[C@@H]1CCCN(C(=O)Cc2ccc(N)cc2)C1 37820878 VEFUHEJYKGTPOI-LBPRGKRZSA-N 290.367 0.718 10 10 CCCE O=c1c2c(ccn1C[C@]1(F)CCOC1)CCNC2 2222413192 PCSNXYCZKGCBFZ-CYBMUJFWSA-N 252.289 0.623 10 10 CCCE COc1ccc(O)c(CN(C[C@H](C)O)[C@H](C)CO)c1 249068108 JCUZDDOIUXQEKG-MNOVXSKESA-N 269.341 0.964 10 10 CCCE CC(=O)C(=O)COC(=O)CN1CC(=O)Nc2ccccc21 808517750 MAEUSKFCONOCIF-UHFFFAOYSA-N 290.275 0.146 10 10 CCCE CC(=O)C(=O)COC(=O)Cn1cc(C2CC2)cn1 849977160 REWMXBZRKWNVBM-UHFFFAOYSA-N 250.254 0.462 10 10 CCCE O=C(c1cccc(O)c1O)N1CC[C@@H](O)C(F)(F)C1 855445315 MAZGMGBMJVMPQT-SECBINFHSA-N 273.235 0.940 10 10 CCCE CO[C@@H](C)CS(=O)(=O)NCc1c(O)cccc1F 921452062 BZOQEKQVBRFWOK-QMMMGPOBSA-N 277.317 0.986 10 10 CCCE COC(=O)c1cc(OCC2(CO)COC2)ccc1N(C)C 865396397 RLYTUUROYUIYLB-UHFFFAOYSA-N 295.335 0.927 10 10 CCCE C[C@@H](NS(=O)(=O)N1CC[C@H](O)C1)c1ccccc1O 1877590372 SRIPTIDEDJKUIY-ZJUUUORDSA-N 286.353 0.354 10 10 CCCE CN(C)c1ccc2c(c1)OCCN2C[C@H]1CC(=O)N1 1884676176 BELGHTAIIUVRDD-SNVBAGLBSA-N 261.325 0.840 10 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0.514 10 10 CCCE COC[C@@H]1[C@@H](O)[C@@H](O)CN1CCCc1ccc(N)cc1 2234065164 JEWIFQYAKONECQ-QLFBSQMISA-N 280.368 0.254 10 10 CCCE CN1[C@@H](C(=O)O)CC[C@@H]1C(=O)N1CCC[C@@H]1CN=[N+]=[N-] 2234170509 DQZPQILIKDBIMN-OPRDCNLKSA-N 281.316 0.835 10 10 CCCE O=C(NC1(C(F)F)CCNCC1)c1cc(O)nc(O)c1 2235757432 LPRFUJUTVQDANO-UHFFFAOYSA-N 287.266 0.610 10 10 CCCE COc1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CF)c(CO)c1 2227680419 WTKSJFQZWOLCKW-RWMBFGLXSA-N 271.288 0.067 10 10 CCCE COc1ccc(CNC2CC(O)(CO)C2)cc1C 2256980553 AOCRPWIPEZPZRM-UHFFFAOYSA-N 251.326 0.979 10 10 CCCE Cc1cc(N2CC(CO)(CO)C2)ccc1[C@@H](C)O 2257478983 VQISWYXUFVFELW-LLVKDONJSA-N 251.326 0.839 10 10 CCCE C[C@H](NC(=O)[C@@H]1CC[C@H](O)CN1)c1ccccc1O 2264560611 OSBFGMQSRCWHHM-NHCYSSNCSA-N 264.325 0.682 10 10 CCCE CC1(C)OCCN(C(=O)c2cc(O)nc(O)c2)[C@H]1CO 2282896283 HKVSFJIOONKTDI-VIFPVBQESA-N 282.296 0.105 10 10 CCCE CN[C@H](C)c1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)cc1C 2285122677 WCVPCPNBFKIIBA-KJEVXHAQSA-N 280.368 0.178 10 10 CCCE COc1ccc(O)c(CN2C[C@H](C)OC3(CNC3)C2)c1 2288590839 PLKKAFZUAGDEMR-NSHDSACASA-N 278.352 0.964 10 10 CCCE CC[C@H]1[C@@H](O)CCN1C[C@H](O)COc1ccc(N)cc1 2288934738 KBHGLRZJVUACGJ-QEJZJMRPSA-N 280.368 0.854 10 10 CCCE Cc1cc(N2CC3(CNC(=O)CO3)C2)ccc1[C@@H](C)N 2289725261 QSPUMEODPLLZAZ-LLVKDONJSA-N 275.352 0.720 10 10 CCCE CCN(CCN=[N+]=[N-])S(=O)(=O)CCOCCF 2301771239 HHRWTAFBOATSNG-UHFFFAOYSA-N 268.314 0.935 10 10 CCCE N[C@H](CCN1CCc2cc(O)c(O)cc2C1)C(=O)O 2341209825 AGFLAZBYFXVAGW-SNVBAGLBSA-N 266.297 0.258 10 10 CCCE CN(C(=O)c1cc(O)c(O)c(O)c1)[C@@H]1CNC[C@H]1F 2343617727 FKVCFEMUFQYZHG-HTQZYQBOSA-N 270.260 0.185 10 10 CCCE CSc1cc(N2CC(=O)NC(=O)[C@H]2C)ccc1CN 2353856328 ZPIPTSNRPBMESN-MRVPVSSYSA-N 279.365 0.719 10 10 CCCE COCCNC(=O)[C@@H](C)NCc1ccc(O)c(O)c1 228990809 OGUWWSHWAXYIMB-SECBINFHSA-N 268.313 0.339 10 10 CCCE C[C@@H](N)c1ccc(N2CC(=O)NC(=O)C2)c(Cl)c1 97268877 OUSASZBVFMZRNO-SSDOTTSWSA-N 267.716 0.823 10 10 CCCE CCN(C)C(=O)CNC(=O)NCc1c(O)cccc1F 922061127 TXSPOEVJNFGDPV-UHFFFAOYSA-N 283.303 0.809 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1C[C@@H]2C[C@@]2(CO)C1 1296560312 UTOBDBCEZSHNGQ-HZMBPMFUSA-N 263.293 0.481 10 10 CCCE Nc1ccc(O)c(CNS(=O)(=O)c2c[nH]cn2)c1 70415286 NJLKOGIEHPSSCR-UHFFFAOYSA-N 268.298 0.176 10 10 CCCE NCCOCCCNC(=O)CCc1ccc(N)cc1 1876423955 PEPVRUGBPPTCQC-UHFFFAOYSA-N 265.357 0.683 10 10 CCCE C[C@H](N=c1nc(C(=O)O)n(C)[nH]1)c1ccccc1O 1877571215 UZUDXMOYOHGUGZ-ZETCQYMHSA-N 262.269 0.814 10 10 CCCE CN(Cc1ccccc1O)c1cncc2nnnn12 1877533461 SPVZDVUPEHCGDL-UHFFFAOYSA-N 256.269 0.861 10 10 CCCE O=C(NCc1ccc(O)c(O)c1)[C@@H]1C[C@H]1[N+](=O)[O-] 1137443377 NKSIWSJWGYIYPT-HTQZYQBOSA-N 252.226 0.379 10 10 CCCE O=C(NCc1ccccc1O)c1nsnc1O 1137471518 OXNHCJDMHXNTEH-UHFFFAOYSA-N 251.267 0.879 10 10 CCCE NC(=O)[C@@H]1C[C@@H](O)CN1Cc1cc(Cl)cc(F)c1O 895367591 FOOJFKVKAJDTQY-SCZZXKLOSA-N 288.706 0.605 10 10 CCCE C[C@@H](O)[C@@H]1CCCN1c1ccc2c(c1)NC(=O)[C@@H]2N 1879184083 AYUHUNVXWIUHCV-OXHMUOHRSA-N 261.325 0.988 10 10 CCCE C[C@H](N)c1cc(F)c(N2CC(O)(C(N)=O)C2)c(F)c1 1880928162 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Cc1cccc(O)c1CN1C[C@@H](O)[C@H](CC(=O)O)C1 2117725906 WXSYUDOWMPKICV-ZWNOBZJWSA-N 265.309 0.968 10 10 CCCE COc1cc2c(cc1OC)N1CCOC[C@H]1C(=O)N2 214204473 KOVSZDRFXIRWLW-JTQLQIEISA-N 264.281 0.861 10 10 CCCE C[C@@H]1CN(c2ccc3c(c2)OCO3)[C@H](CN)CN1C 216993926 ODYZZFAKVJURGA-ZYHUDNBSSA-N 263.341 0.883 10 10 CCCE C[C@@H]1CN[C@H](CCO)CN1c1ccc2c(c1)OCO2 217086872 CWDVYDACHDITKV-GHMZBOCLSA-N 264.325 0.964 10 10 CCCE O=C(NCc1cnc[nH]1)c1c(F)ccc(O)c1O 1558938394 AEXDKYZBYVVGSE-UHFFFAOYSA-N 251.217 0.890 10 10 CCCE CCN1C[C@H](NC(=O)Cc2ccc(O)c(O)c2)CC1=O 1637224285 IODWOEFAONPBRY-SNVBAGLBSA-N 278.308 0.377 10 10 CCCE CC1(C)[C@@H](O)[C@@H](O)CN1c1c(F)cc(CO)cc1F 2124799411 HMBKFWXKTRDRJR-JQWIXIFHSA-N 273.279 0.778 10 10 CCCE [N-]=[N+]=NC[C@H]1CCN(C(=O)[C@@H]2CCCC(=O)N2)C1 1912179428 RSBMAIPMTBZSSD-BDAKNGLRSA-N 251.290 0.814 10 10 CCCE COC(=O)CCCNC(=O)CN1CC(N=[N+]=[N-])C1 1912186979 DHSUCPNJHVOXQS-UHFFFAOYSA-N 255.278 0.050 10 10 CCCE CC[C@@H](CO)N(C)C(=O)Cc1ccc(O)c(O)c1 1641555883 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N[C@@H]1C[C@@H]2C[C@H]1C[C@H]2NC(=O)c1ccc(O)c(O)c1 2329591418 IDMJHHCJEITBIO-UKKRHICBSA-N 262.309 0.953 10 10 CCCE O=C(N[C@@H]1C[C@H]2CC[C@@H]1O2)c1cc(O)c(O)c(O)c1 2331867977 OUJIGAPEENBSPS-XLDPMVHQSA-N 265.265 0.853 10 10 CCCE Cc1cc(CN)ccc1N1[C@H]2CC[C@@H]1C[C@H](O)[C@@H]2O 2331966333 HOEAKTCQWCKCSN-UQOMUDLDSA-N 262.353 0.917 10 10 CCCE CNC[C@@](C)(NCc1ccc2c(c1)CCO2)C(=O)O 2349080103 HPJHRFMRZYXNNY-CQSZACIVSA-N 264.325 0.774 10 10 CCCE C[C@H](C(=O)O)S(=O)(=O)NCc1ccccc1O 228402984 OJCMIAAMDVOQAA-SSDOTTSWSA-N 259.283 0.285 10 10 CCCE Nc1ccc(OCCC(=O)N[C@H]2CCN[C@@H]3C[C@H]23)cc1 2357175251 BJEYGKXGQICWJA-HZSPNIEDSA-N 275.352 0.904 10 10 CCCE Cc1ccc(C(=O)NCc2nccc(N)n2)c(O)c1O 182979925 OXXUUULPDJRBRT-UHFFFAOYSA-N 274.280 0.708 10 10 CCCE O=[N+]([O-])c1cc(NS(=O)(=O)c2c[nH]cn2)ccc1O 133731410 QPYXIPURXKFDEM-UHFFFAOYSA-N 284.253 0.824 10 10 CCCE CN(C)c1ccc([C@H]2[C@@H](C(=O)O)OCC(=O)N2C)cc1 70274372 QKYQNRCHOUAAHS-STQMWFEESA-N 278.308 0.736 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3C[C@H]4[C@H](O)CC[C@H]4C3)cc21 228048595 ZFOJVLIJFZQCMX-ZEQHWRKHSA-N 287.363 0.870 10 10 CCCE Cc1cc(NS(=O)(=O)N(C)CCC(=O)O)ccc1O 148138274 WRPUVNRXTROKMX-UHFFFAOYSA-N 288.325 0.764 10 10 CCCE COC[C@H](N)c1nc(-c2ccc(O)c(O)c2)no1 234702297 TZDUAZHCEBDDBN-ZETCQYMHSA-N 251.242 0.794 10 10 CCCE CC(C)[C@H](NC(=O)c1ccc(O)c(O)c1)C(=O)O 232720220 JBWAPUKPKONEJE-JTQLQIEISA-N 253.254 0.937 10 10 CCCE COc1cc(C)c2c(c1)C(=O)N(C)CCN2CCN 527431206 ZBGZPOVFYDOWFY-UHFFFAOYSA-N 263.341 0.854 10 10 CCCE CC(=O)C(=O)COC(=O)Cc1ccc2c[nH]nc2c1 808544210 AEYFEFICXMXFFL-UHFFFAOYSA-N 260.249 0.807 10 10 CCCE CCN1CCc2cc([C@H](NN)[C@H]3CCS3(=O)=O)ccc21 2163157083 YEMKMZDIJFRKRT-KGLIPLIRSA-N 295.408 0.761 10 10 CCCE CC(=O)C(=O)COC(=O)[C@@H]1CCCCN1C(=O)C(C)C 808507221 DQYKYUFRZSHZQA-NSHDSACASA-N 283.324 0.725 10 10 CCCE COc1ccc(O)c(CNC(=O)[C@@H]2CCNC(=O)CC2)c1 815835183 MDHXVRCTIVCGSI-JTQLQIEISA-N 292.335 0.933 10 10 CCCE CC(=O)N1CCO[C@@H](C(=O)N[C@@H](C)c2ccccc2O)C1 828539157 JJOMXAMTNNWNSS-IINYFYTJSA-N 292.335 0.817 10 10 CCCE O=C(C[C@@H]1CCNC1=O)NCc1ccc(O)c(O)c1 901133416 YDJNJNGQYHKVRM-VIFPVBQESA-N 264.281 0.240 10 10 CCCE CC(=O)C(=O)COC(=O)c1cn(C2CCC2)nn1 830247562 DNTJEJFCGKTWQX-UHFFFAOYSA-N 251.242 0.318 10 10 CCCE O=C1CC(C(=O)NCc2c(O)ccc3c2CCCC3)=NN1 743719697 OWISHEWBPSVGGH-UHFFFAOYSA-N 287.319 0.763 10 10 CCCE COc1ccc(N2CC[C@@H](NS(N)(=O)=O)C2)cc1 849415705 FMEYWMOVQFWIRI-SECBINFHSA-N 271.342 0.067 10 10 CCCE O=C(NC[C@@H]1COCO1)N1Cc2cccc(O)c2C1 923838531 ADGNLOGJPVSGJB-SNVBAGLBSA-N 264.281 0.790 10 10 CCCE Nc1ccc(OCc2cn([C@H]3CCNC3)nn2)cc1 864635693 SCGHHJXAEXTSOH-LBPRGKRZSA-N 259.313 0.974 10 10 CCCE C[C@@H](O)[C@H](O)CNCc1ccc(N(C)C)c(F)c1 865738682 JEHIWPDTOMGKEB-NOZJJQNGSA-N 256.321 0.723 10 10 CCCE Nc1ccc(NC(=O)N2CCN[C@@H]3COC[C@H]32)cc1 1876163320 PYSSHXVLNRSTIA-VXGBXAGGSA-N 262.313 0.473 10 10 CCCE CC(=O)C(=O)COC(=O)c1cnn(CC2CC2)c1 870089852 BZYUXXDLZQRPBA-UHFFFAOYSA-N 250.254 0.608 10 10 CCCE COc1c([N+](=O)[O-])ccc(CNCc2cn(C)nn2)c1O 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CN(CCc1nnn[nH]1)C(=O)Nc1ccc(N)cc1 95314013 AWVAJDMDZXYJIZ-UHFFFAOYSA-N 261.289 0.488 10 10 CCCE C[C@H](N[C@@H]1CCO[C@@H]1C(N)=O)c1c(O)cccc1O 2117463181 ODRXDLUKBODISK-SXMVTHIZSA-N 266.297 0.391 10 10 CCCE CC(=O)NCC(C)(C)C(=O)NCc1c(O)cccc1O 1472064262 YWCUFRXCKMHEMK-UHFFFAOYSA-N 280.324 0.876 10 10 CCCE CC[C@H](CNC(C)=O)NC(=O)c1cc(OC)nc(OC)c1 1704620208 MTQRNHUSWNMFFX-LLVKDONJSA-N 295.339 0.743 10 10 CCCE O=C(O)CC[C@H](NCc1ccccc1O)C(=O)O 19036 LKOHXMCSKQWIRH-VIFPVBQESA-N 253.254 0.800 10 10 CCCE C[C@@H]1CCN(c2ccc3c(c2)OCO3)C[C@H](CO)N1 217098361 LNOBHYYCKIWXCQ-GHMZBOCLSA-N 264.325 0.964 10 10 CCCE CCn1cc(CC(=O)NCc2cccc(O)c2O)nn1 1633515475 BRGODLMFSCJDAG-UHFFFAOYSA-N 276.296 0.568 10 10 CCCE CS(=O)(=O)N1CC[C@H](N2CCC[C@@H](N=[N+]=[N-])C2)C1 1912193729 QACIXZPHPVCGDJ-ZJUUUORDSA-N 273.362 0.795 10 10 CCCE [N-]=[N+]=N[C@@H]1CCN(CCn2nc3ccccn3c2=O)C1 1912152587 WBCJSPUEOLVBIQ-SNVBAGLBSA-N 273.300 0.881 10 10 CCCE CN(CCCN=[N+]=[N-])C(=O)[C@@H]1CCCS1(=O)=O 1912150521 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CC(C)[C@H](NCc1cc2c(cc1O)OCO2)C(N)=O 223957440 FEPRRCYIVLONKR-LBPRGKRZSA-N 266.297 0.720 10 10 CCCE NC(=O)[C@@H]1[C@H]2CN(C(=O)Nc3ccc(N)cc3)C[C@H]21 2136627896 JSCDPXOARZAPBJ-URLYPYJESA-N 260.297 0.464 10 10 CCCE CN1CCN(Cc2ccc3c(c2)CCN3C)[C@@H](CN)C1 226610764 VMDWBBMCIYCTQY-HNNXBMFYSA-N 274.412 0.754 10 10 CCCE C[C@H]1CN(C(=O)Cc2ccc(N)cc2)C[C@H](CO)O1 229936203 DJUNLLIQJCDJSC-GXFFZTMASA-N 264.325 0.420 10 10 CCCE C[C@@H](N)c1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CF)c(F)c1 2140660519 AGUAGQIAUPYNHH-HPXOCHMKSA-N 272.295 0.725 10 10 CCCE CN1C[C@H](NCc2c(O)cccc2Cl)[C@H](O)C1 1942692949 KLQBKEMXHDNOPC-CMPLNLGQSA-N 256.733 0.810 10 10 CCCE CO[C@@H](c1ccc(O)c(CN(C)C)c1)[C@@H](N)C(=O)O 1952691913 NWJUCVMGRNMKIY-NEPJUHHUSA-N 268.313 0.553 10 10 CCCE COC(=O)[C@@H]1C[C@@]1(N)c1cc([N+](=O)[O-])ccc1O 1952774418 HENATXILGNQCGE-GZMMTYOYSA-N 252.226 0.647 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3CC[C@@H](O)[C@@H](F)C3)cc21 2144572529 YWRGAEYMGSBQLN-CYZMBNFOSA-N 279.315 0.572 10 10 CCCE CN(C)CCN(C)c1ccc2c(c1)N(C)C(=O)[C@@H]2N 155752396 UXXOGSYZEOWJRF-CYBMUJFWSA-N 262.357 0.661 10 10 CCCE COC(=O)c1ccc(CN2CCN(C)CC2)c(O)c1 260843653 SJZYWFCMEWGIJG-UHFFFAOYSA-N 264.325 0.926 10 10 CCCE CCN(Cc1ccc(N)cc1)[C@@H](C)C(=O)NC(=O)NC 35364058 VOWSLNFEVVSIAK-JTQLQIEISA-N 278.356 0.935 10 10 CCCE CO[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CC[C@H]1N 2146739289 MSRFBSBZSRCNOR-MFKMUULPSA-N 280.324 0.215 10 10 CCCE CN1C(=O)[C@H](O)c2ccc(N3C[C@H](O)C4(CC4)C3)cc21 2149755509 WTPNOTHLUXPYQY-QWHCGFSZSA-N 274.320 0.658 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN(C(=O)[C@@H]2CN3CCN2CC3)C1 2155753112 GFGNHDBCHWTKCL-NEPJUHHUSA-N 278.360 0.535 10 10 CCCE Nc1ccc(OCCC(=O)OC[C@H](O)CF)cc1 2032659037 AFNOPFZPWPGSKO-SNVBAGLBSA-N 257.261 0.911 10 10 CCCE Nc1ccc(O)c(CN2CCN3C[C@@H](O)C[C@H]3C2)c1 405268800 SUNXUUMQRNHLLX-STQMWFEESA-N 263.341 0.225 10 10 CCCE Nc1ccc(NCCN2CCCS2(=O)=O)cc1 405361099 OSYAHBWMZHGTHL-UHFFFAOYSA-N 255.343 0.716 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CC[C@@H]2NCC[C@H]2C1 311914490 ROQWHHAAIXDTDR-QWRGUYRKSA-N 262.309 0.922 10 10 CCCE CNCc1ccc(N2CC[C@]3(CNC(=O)N3)C2)cc1C 2177687708 OWFXSYVCQTZJRI-HNNXBMFYSA-N 274.368 0.976 10 10 CCCE COc1ccc(O)c(CN2CCNC[C@@H]2C(=O)O)c1 88658581 ASHYFKPVAWYUJC-LLVKDONJSA-N 266.297 0.259 10 10 CCCE CO[C@]1(C(=O)O)CCN(Cc2ccc(O)cc2O)C1 703757385 FLWXGZXVFPCKRA-CYBMUJFWSA-N 267.281 0.773 10 10 CCCE Cc1nc(COC(=O)COc2ccc(N)cc2)n(C)n1 708422703 MERJBCIIXFFKEI-UHFFFAOYSA-N 276.296 0.828 10 10 CCCE Nc1ccc(O)c(CN2CCC[C@H](CO)[C@@H]2CO)c1 709792936 HRSSJTROFBUTJK-MFKMUULPSA-N 266.341 0.540 10 10 CCCE C[C@@H](CN(C)C)OC(=O)[C@H](N)Cc1ccc(O)c(O)c1 380281162 BKESUPOGGUDTHM-GXSJLCMTSA-N 282.340 0.461 10 10 CCCE COCC(COC)OC[C@H](O)COc1ccc(N)cc1 380370332 MDTJSSLHBLXEBG-GFCCVEGCSA-N 285.340 0.687 10 10 CCCE CCC1(O)CN(CC(=O)N(C)c2ccc(N)cc2)C1 384044206 GVZBZPMYJFXYLX-UHFFFAOYSA-N 263.341 0.688 10 10 CCCE C[C@H](c1ccccc1O)N(C)C(=O)c1nnn(C)n1 697260417 VLXYOGRQJVEFFC-MRVPVSSYSA-N 261.285 0.749 10 10 CCCE C[C@H]1CN(C(=O)CCOc2ccc(N)cc2)C[C@@H]1O 387539496 DYESPNYRRPLUSK-GWCFXTLKSA-N 264.325 0.877 10 10 CCCE CN1CCc2cc([C@@H]3C(=O)NC(=O)CN3C)ccc21 388398147 XJSRQPYJMNLXDP-CYBMUJFWSA-N 259.309 0.308 10 10 CCCE CSc1ncc(CNCCOC2CNC2)s1 2243845597 ZKNQEYSFANCGDX-UHFFFAOYSA-N 259.400 0.943 10 10 CCCE O=C(N[C@@H]1[C@@H]2C[C@H]3[C@H](CN[C@H]31)C2)c1cc(O)nc(O)c1 2169565772 VHMGARLWQWMKNL-IXWFFMOVSA-N 275.308 0.219 10 10 CCCE O=C(NCc1ccc(O)nn1)c1cc(O)c(O)c(O)c1 2188875443 QQGHAGGWQGKYHU-UHFFFAOYSA-N 277.236 0.229 10 10 CCCE N[C@H]1CCc2cc(N3CCOC[C@H]3[C@@H](O)CO)ccc21 2184737798 MBYWPBVYRDSWPT-KKUMJFAQSA-N 278.352 0.191 10 10 CCCE C[C@H](N)C[S@@](C)(=O)=NC(=O)c1cccc(O)c1O 2042219704 FHBDCFUIDQLHPC-ULCDLSAGSA-N 272.326 0.683 10 10 CCCE CN(C(=O)c1ccn(-c2ccc(N)cc2)n1)C1CNC1 2191678322 GUWGICJYVZHBFX-UHFFFAOYSA-N 271.324 0.498 10 10 CCCE CNCc1cc(F)c(N2CC(O)(CO)C2)c(F)c1 2051893902 GCHVACCJJSWUOV-UHFFFAOYSA-N 258.268 0.228 10 10 CCCE C[C@H](N)[C@H]1CN(C(=O)CCc2ccc(N)cc2)CCO1 2191719373 GEBCDTKRCNEBRK-SMDDNHRTSA-N 277.368 0.776 10 10 CCCE Nc1ccc(OCCC(=O)N2CC[C@H]3CNC[C@H]32)cc1 2191892140 OVAJIEBGZDEFDU-SMDDNHRTSA-N 275.352 0.858 10 10 CCCE C[C@@H](Cn1cnnc1)NC(=O)CCc1ccc(N)cc1 2186717675 UFDFFNPJMYKHJH-NSHDSACASA-N 273.340 0.998 10 10 CCCE CC(C)(C)[C@H]1NCC[C@H]1NC(=O)c1cc(O)nc(O)c1 2192472010 HEJZYUVWMUOZLD-SKDRFNHKSA-N 279.340 0.999 10 10 CCCE COc1ccc(N2C[C@@H](O)CC23CNC3)cc1F 2066532904 FPDCUCUBUDKCSY-JTQLQIEISA-N 252.289 0.747 10 10 CCCE C[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)[C@H](O)C(F)(F)F 2197332830 VXIFNUHSBUTLDL-MOFOKWOHSA-N 295.213 0.845 10 10 CCCE Cc1ccc(CN2CCC[C@](O)(CN)C2)c(O)c1 2084065831 KNEGCLRKVMMMOX-AWEZNQCLSA-N 250.342 0.986 10 10 CCCE Nc1ccc(NC(=O)N2CCO[C@H](C(=O)O)C2)cc1 2105967878 CYYKYUPGFXAQDB-JTQLQIEISA-N 265.269 0.586 10 10 CCCE CN(C)[C@@H]1CN(c2c(F)cc(CN)cc2F)C[C@@H]1O 2089921744 DBRWUJBVSCTMCK-NEPJUHHUSA-N 271.311 0.535 10 10 CCCE C[C@@H]1CNC[C@@H]1C(=O)NCCc1ccc(O)c(O)c1 2091748445 QUYRTKRYYGSCMJ-KOLCDFICSA-N 264.325 0.612 10 10 CCCE NC(=O)[C@@H]1C[C@H](N)CN(Cc2c(O)cccc2Cl)C1 2094666457 PZDNHDFRMPSWIN-BDAKNGLRSA-N 283.759 0.680 10 10 CCCE Nc1ccc(N2CCN([C@H]3COC[C@H]3O)CC2)cc1 2099396375 RWTSGDBZATZJRO-UONOGXRCSA-N 263.341 0.151 10 10 CCCE Cc1cccc(CNS(=O)(=O)C[C@H]2CNC[C@@H]2C)c1O 2204626473 VPCLYURFWROSIY-WCQYABFASA-N 298.408 0.976 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@H]2CC3(CCC3)[C@@H]2O)cc1 2205600866 RFFMXGNVAJDHFC-QWHCGFSZSA-N 296.392 0.992 10 10 CCCE COc1ccc(N2C[C@H](N(C)C)[C@H](O)C2)cc1F 2219611457 BHAMWMQKGRMQHD-NWDGAFQWSA-N 254.305 0.945 10 10 CCCE Nc1ccc(OCCC(=O)N[C@]23CNC[C@H]2C3)cc1 2230700493 PRDDWABGORPMEJ-QMTHXVAHSA-N 261.325 0.516 10 10 CCCE O[C@H]1[C@@H]2C[C@@H](CN2c2ccc3c(c2)COCC3)[C@H]1O 2226712668 FSTQBVNZVVMFHT-HPEDKQMDSA-N 261.321 0.690 10 10 CCCE Cc1cc([C@@H](C)O)ccc1N1C[C@H]2C(=O)NC(=O)[C@H]2C1 2240829862 OLLZZWAXYRBYKY-JLLWLGSASA-N 274.320 0.757 10 10 CCCE CSc1ncc(CN[C@@H]2CC(=O)NC2=O)s1 2243773729 RJANKDLYFNGYPR-ZCFIWIBFSA-N 257.340 0.370 10 10 CCCE CSc1ncc(CN=c2[nH]c(=N)[nH]n2C)s1 2243824985 LIMQCMNEFWKMOA-UHFFFAOYSA-N 256.360 0.440 10 10 CCCE CSc1ncc(CNC(=O)C2(CN)COC2)s1 2248597625 DMXWXBQHJROBPQ-UHFFFAOYSA-N 273.383 0.457 10 10 CCCE NC(=O)c1cccc(N)c1N[C@H]1CC[C@@H](C(N)=O)CC1 2287893990 ZUMMWBKSVMGXMS-DTORHVGOSA-N 276.340 0.824 10 10 CCCE CO[C@@H]1[C@@H](O)C[C@H]1NC(=O)CCc1ccc(N)cc1 2271169780 KLTAEHFXXBMTDP-DYEKYZERSA-N 264.325 0.466 10 10 CCCE O=C(O)[C@@]12CC[C@@H](CN(Cc3ccccc3O)C1)N2 2271748639 WGQHRUIIRCCLNI-SMDDNHRTSA-N 262.309 0.783 10 10 CCCE COCCN(C[C@@H](C)O)C(=O)Cc1ccc(N)cc1 2272329546 HIEDPAJYUDFWHH-LLVKDONJSA-N 266.341 0.667 10 10 CCCE O=C(O)C1CN(C2CN(Cc3ccc(O)c(O)c3)C2)C1 2284237705 HNRFVFGQPULYFN-UHFFFAOYSA-N 278.308 0.298 10 10 CCCE CC[C@@H](C)[C@@H](NS(=O)(=O)Cc1ccc(N)cc1)C(N)=O 2296246807 ALIADXXWROBSCC-BXKDBHETSA-N 299.396 0.588 10 10 CCCE NCc1ccc(N2C[C@@H](O)[C@@H]3COC[C@@H]32)cc1F 2308659511 OGEHXHAVISFOAP-KGYLQXTDSA-N 252.289 0.480 10 10 CCCE O=C(NC[C@H]1CNCC12CC2)c1ccc(O)c(O)c1 2336349632 KKSIONWBYSIXKG-SNVBAGLBSA-N 262.309 0.827 10 10 CCCE CS(=O)(=O)CC[S@](=O)CCCc1ccc(N)cc1 302620612 NQUWWXZCOFQBNJ-QGZVFWFLSA-N 289.422 0.995 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1C[C@H]2C[C@@H](C1)C2 2357549383 FIMXBCKHGIJXIH-TUAOUCFPSA-N 276.336 0.836 10 10 CCCE CCN(CC(=O)N(C)C)C(=O)CCOc1ccc(N)cc1 40305132 YSYJJIHCOARITC-UHFFFAOYSA-N 293.367 0.974 10 10 CCCE C[C@@H]1CC[C@@H](C(N)=O)CN1CC(=O)c1ccc(O)c(O)c1 42437972 PBVZBABYIITYBI-MWLCHTKSSA-N 292.335 0.866 10 10 CCCE COC(=O)[C@H](C)S(=O)(=O)NCCCN=[N+]=[N-] 42537988 GOTFKBQBBRMLJN-LURJTMIESA-N 250.280 0.168 10 10 CCCE Nc1ccc(OCCC(=O)NCCCc2nc[nH]n2)cc1 80539284 ANDWOHLHSDWNTR-UHFFFAOYSA-N 289.339 0.905 10 10 CCCE CO[C@H](C)CN(CC(N)=O)Cc1ccc(N)cc1 228579681 NPZVDHGHXLNJOL-SNVBAGLBSA-N 251.330 0.591 10 10 CCCE CNC[C@H](C)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 92135436 XBHFNDBHRRTQEL-WPRPVWTQSA-N 296.323 0.065 10 10 CCCE Oc1ccccc1CN1CCOC[C@@]12CNCCOC2 2162213177 YSFWVSHMADJJHK-HNNXBMFYSA-N 278.352 0.583 10 10 CCCE COc1ccc(N(CC(N)=O)C2CCNCC2)cc1F 2162855640 ZPRFUHSWCQKJRE-UHFFFAOYSA-N 281.331 0.878 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3C[C@@H](O)[C@H](OC)C3)ccc21 396056107 MUQKFKLJYLIDEH-UPJWGTAASA-N 277.324 0.095 10 10 CCCE O=C(N[C@@H]1C[C@H](C(=O)O)[C@H]2C[C@H]21)c1ccc(O)c(O)c1 2166187693 SZBIQLNKCMOFBR-QCLAVDOMSA-N 277.276 0.937 10 10 CCCE COC(=O)CC[C@H](N)C(=O)N(C)Cc1ccccc1O 827209601 AZNKYBIJSZBZSP-NSHDSACASA-N 280.324 0.631 10 10 CCCE COC[C@](C)(CNC(=O)c1cccc(O)c1O)OC 1895307180 CSPYLDMVIFTCNE-ZDUSSCGKSA-N 269.297 0.879 10 10 CCCE CCON(C)C(=O)CNC(=O)/C=C\c1ccc(O)c(O)c1 846506484 JHOYQYNMDDQGGX-ALCCZGGFSA-N 294.307 0.637 10 10 CCCE Nc1ccc(NC(=O)CCN2C[C@@H](O)C[C@@H]2CO)cc1 698117704 VPGCWVNKCKAULU-OLZOCXBDSA-N 279.340 0.025 10 10 CCCE COc1ccc(CNC[C@@]2(CO)COCCN2C)cc1C 922540606 TVGPNRHDFLLCBZ-MRXNPFEDSA-N 294.395 0.786 10 10 CCCE Nc1ccc(OCCC(=O)NC2CCNCC2)cc1 1876447403 TZPALAGNKGNITN-UHFFFAOYSA-N 263.341 0.906 10 10 CCCE Nc1ccc(CCC(=O)N[C@@H]2C[C@@H]3CNC[C@@H]32)cc1 1876441392 CFHJHTKTUWIYET-KWCYVHTRSA-N 259.353 0.926 10 10 CCCE Nc1ccc(OCC(=O)N2C[C@H]3CCN[C@H]3C2)cc1 1876665691 PUSHZMZEFGBEDV-MFKMUULPSA-N 261.325 0.468 10 10 CCCE C[C@@H](NS(=O)(=O)c1cnn(C)n1)c1ccccc1O 1877587579 UNBNYAQVUUUNQA-MRVPVSSYSA-N 282.325 0.560 10 10 CCCE COC1(OC)CN(CC(=O)Nc2ccc(N)cc2)C1 1882326540 JXXOIMHFLKESCL-UHFFFAOYSA-N 265.313 0.512 10 10 CCCE O=C(NCCc1nc(=O)o[nH]1)c1cc(O)cs1 790992672 QMJWQENBZGRLLZ-UHFFFAOYSA-N 255.255 0.103 10 10 CCCE N[C@@H]1CCSC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 1896213788 OQYPQVXTARZERF-HTQZYQBOSA-N 284.337 0.366 10 10 CCCE CN(C)c1ccc(CNC(=O)[C@]2(C)C[C@@H](O)CN2C)cc1 899983323 PCOIFRAQCAPZQX-ZBFHGGJFSA-N 291.395 0.824 10 10 CCCE CCCNC(=O)[C@@](C)(N)Cc1ccc(O)c(O)c1 83392479 CDHVNHLNIHUDEY-ZDUSSCGKSA-N 252.314 0.884 10 10 CCCE Cc1cccc([C@@H](N)C(=O)NCCN(C)C)c1O 83385195 GILHUYIRXLZFPD-LLVKDONJSA-N 251.330 0.378 10 10 CCCE O=S(=O)(O)CCCNCc1cccc(O)c1O 83445985 CYFUIJHAKUPKLA-UHFFFAOYSA-N 261.299 0.465 10 10 CCCE O=C(C[C@@H]1C=CS(=O)(=O)C1)NCc1cccc(O)c1O 1176576960 VRRGMNMGLHIWPL-VIFPVBQESA-N 297.332 0.662 10 10 CCCE C[C@H]1CN(C(=O)c2ccc(O)c(O)c2)CCS1(=O)=O 707421604 BVBJEGPIHUGGCJ-QMMMGPOBSA-N 285.321 0.357 10 10 CCCE O=C(NC[C@H]1C[C@@H]1C(=O)O)c1cccc(O)c1O 715297070 PWDRMNMODOUIBD-SVRRBLITSA-N 251.238 0.548 10 10 CCCE COC(=O)c1cnc(SCC(=O)NC(C)=O)s1 1346826829 BRRJQCVELCXHAZ-UHFFFAOYSA-N 274.323 0.685 10 10 CCCE CN1C(=O)[C@H](O)c2ccc(N3CCO[C@H]4C[C@H]43)cc21 2115219004 BXSPGGZWDRDBCR-FRRDWIJNSA-N 260.293 0.674 10 10 CCCE O=C1Nc2cc(N3CCO[C@@H](CF)C3)ccc2[C@@H]1O 2115413023 PMNBKZAJGFKDCC-CABZTGNLSA-N 266.272 0.847 10 10 CCCE O=C(CCN1C(=O)CSC1=S)NCc1ccccn1 1865765176 TVCWUBPIKMWAIN-UHFFFAOYSA-N 295.389 0.948 10 10 CCCE O=C1N[C@H]2CN(c3c(F)cc(CO)cc3F)C[C@@H]2O1 2120414399 ATWOQRPSQZZLPO-UWVGGRQHSA-N 270.235 0.754 10 10 CCCE COc1ccc(N2C[C@H](O)CNC[C@@H]2C)cc1OC 217180407 BAGSSARXANXRSJ-CMPLNLGQSA-N 266.341 0.863 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN1CCS(=O)(=O)CCC(N)=O 2123020984 RCPDWFMATMXOEY-SECBINFHSA-N 289.361 0.051 10 10 CCCE COc1cccc(CNC(=O)[C@@H](NC(N)=O)C(C)C)c1O 1622779077 IVXLRFZMPQRKHI-NSHDSACASA-N 295.339 0.710 10 10 CCCE COCCOC[C@H](C)NC(=O)Cc1ccc(O)c(O)c1 1566003012 OJCWLGNOKGSRGG-JTQLQIEISA-N 283.324 0.808 10 10 CCCE C[C@H](O)[C@@H](O)CNC(=O)c1ccc(N=NC(N)=O)cc1 1630815553 PIOPARHMNQTFEU-XVKPBYJWSA-N 280.284 0.321 10 10 CCCE C[C@H]1C[C@](NCCN=[N+]=[N-])(C(=O)O)CCS1(=O)=O 1912188751 QUKBCAKZTCQDRJ-CBAPKCEASA-N 276.318 0.307 10 10 CCCE CCCCNC(=O)NC(=O)CN1CC(N=[N+]=[N-])C1 1912208242 QYWPTKUBJKIEAB-UHFFFAOYSA-N 254.294 0.607 10 10 CCCE CS[C@@H](CO)[C@H](C)NC(=O)Cc1ccc(O)c(O)c1 1636196856 JBWVZTRDMRUJIB-UFBFGSQYSA-N 285.365 0.869 10 10 CCCE COc1ccc(N(C)C[C@@H]2NCC[C@@H](O)[C@@H]2O)cc1 2127628545 CPPFMAVCBWLDND-BFHYXJOUSA-N 266.341 0.215 10 10 CCCE N[C@H]1CCO[C@@H](C(=O)NCc2ccccc2O)C1 1966878244 MSWAZAASIMGDID-CMPLNLGQSA-N 250.298 0.515 10 10 CCCE CN(C(=O)[C@@H]1CO[C@H]2COC[C@H]12)c1ccc(N)cc1 1967071500 DIDLBCVGQUSKBK-UPJWGTAASA-N 262.309 0.893 10 10 CCCE Nc1ccc(CCC(=O)NC[C@H]2CC[C@H](C(=O)O)O2)cc1 158181360 CBUDMFVYBFADDN-CHWSQXEVSA-N 292.335 0.950 10 10 CCCE C[C@H]1CN(C(=O)c2cc(O)nc(O)c2)CC[C@@H]1O 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N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCCO1 228025092 LOFGJAFDXZMTRP-VIFPVBQESA-N 252.270 0.132 10 10 CCCE CN(C)[C@@H]1COC[C@@H]1CNCc1cccc(O)c1O 1924668257 DCDBBXDUESLFKF-NWDGAFQWSA-N 266.341 0.764 10 10 CCCE CN(C)[C@@H]1COC[C@@H]1CNC(=O)c1cccc(O)c1O 1924726233 YPBJOTFDDQEAOM-GXSJLCMTSA-N 280.324 0.404 10 10 CCCE C[C@@H]1CN(C(=O)c2ccc(O)c(O)c2)CC(=O)N1C 1926006727 SAECLKPBFHYTBS-MRVPVSSYSA-N 264.281 0.401 10 10 CCCE CN(C)CCN(C)C(=O)[C@H]1CNc2ccccc2N1 229881409 SLRKXAHNHFDOCL-CYBMUJFWSA-N 262.357 0.913 10 10 CCCE CCN(CCCC(=O)Nc1ccc(N)cc1)CC(N)=O 231814868 NPKWURMVJXQALD-UHFFFAOYSA-N 278.356 0.795 10 10 CCCE COCCOCCOC[C@@H](O)COc1ccc(N)cc1 124844277 RWRNXNJZXFDORA-CYBMUJFWSA-N 285.340 0.688 10 10 CCCE CO[C@@H](Cn1ccc2c(c1=O)CNCC2)[C@H]1CCOC1 2150794718 BIFSURXGLZUGRK-JSGCOSHPSA-N 278.352 0.546 10 10 CCCE Nc1ccc(OCC(=O)NC[C@@H](O)C(F)(F)F)cc1 236333726 ZKGQPAWAXUDVHI-SECBINFHSA-N 278.230 0.687 10 10 CCCE [N-]=[N+]=N[C@@H]1CCCN(S(=O)(=O)C2COC2)CC1 1949762600 QMXYXYVTMWOLLY-MRVPVSSYSA-N 260.319 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0.955 10 10 CCCE CCOC1(CO)CN(Cc2cc(N)ccc2O)C1 2052825048 VIRLUJRAUIFADD-UHFFFAOYSA-N 252.314 0.558 10 10 CCCE C[C@H](NC(=O)Cc1ccc(N)cc1)C1(O)CCNCC1 2191671553 PMVWAEQNDYUWIY-NSHDSACASA-N 277.368 0.431 10 10 CCCE COCCNC[C@@H](C)NCc1ccc(O)c(O)c1 2068612847 OWHDYFHUUMKNLI-SNVBAGLBSA-N 254.330 0.812 10 10 CCCE CC(C)(O)[C@H]1CCN1C(=O)c1cc(O)nc(O)c1 2071157976 KGZJBUVTYCQYMV-MRVPVSSYSA-N 252.270 0.478 10 10 CCCE COC[C@H](O)CCNC(=O)Nc1ccc(N)cc1 2071568856 SVINUDZWZCBKRD-LLVKDONJSA-N 253.302 0.788 10 10 CCCE Cc1cc(N2CC[C@H](O)C[C@@H]2CO)ccc1CN 2080494421 AGQNPBIAWSRKPB-KGLIPLIRSA-N 250.342 0.776 10 10 CCCE O=C1C[C@@H](NCCc2ccc(O)c(O)c2)CCCN1 2103915348 RJJSCAXAUBAPKS-NSHDSACASA-N 264.325 0.899 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC[C@@H](O)[C@@H](F)C2)cc1 2088319760 CVWMOVNKJXVNMI-NWDGAFQWSA-N 288.344 0.503 10 10 CCCE C[C@H](NC1CN(S(C)(=O)=O)C1)c1c(O)cccc1O 2089190326 LGWHROMSMGMFGX-QMMMGPOBSA-N 286.353 0.392 10 10 CCCE CN1CCN(CC(=O)Nc2ccc(N)cc2)[C@H]2C[C@H]21 2112083730 SBSGVWVAUVOLCA-OLZOCXBDSA-N 260.341 0.596 10 10 CCCE N[C@@H]1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2 2098264416 YCUONWAVMUSMGJ-SECBINFHSA-N 263.297 0.446 10 10 CCCE COc1ccc(CN2CC[C@H](O)C[C@H]2C(=O)O)c(O)c1 2201081273 FMTDJESDKPUSJX-JQWIXIFHSA-N 281.308 0.811 10 10 CCCE COc1ccc(N2C[C@H](O)[C@H](O)[C@H]2CF)cc1C 2219718442 AUJPKNYSYYQMNN-NTZNESFSSA-N 255.289 0.884 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN1C(=O)[C@@H]1CC[C@H](C(=O)O)O1 2225792040 JOQIIENRQSCBLB-HRDYMLBCSA-N 268.273 0.920 10 10 CCCE COc1ccc(N2C[C@@H]3OC[C@H](CO)[C@@H]3C2)c(C=O)c1 2235986022 HBGIFWJBVHIRQI-WHOFXGATSA-N 277.320 0.951 10 10 CCCE OC[C@H](O)[C@H]1CCCN1c1ccc2c(c1)OCCO2 2226766549 RNBWNCHCSBUSLN-NEPJUHHUSA-N 265.309 0.780 10 10 CCCE COc1ccc(N2CC[C@](C)(O)[C@@H](O)C2)c(C=O)c1 2227693683 ZNIBIWZTVNGJQY-KBPBESRZSA-N 265.309 0.830 10 10 CCCE COc1ccc(N2CCN(C)C[C@@H]2CO)c(C=O)c1 2227696648 TUMPTOSPGIZKBH-GFCCVEGCSA-N 264.325 0.620 10 10 CCCE NC[C@@]1(CO)COCCN1c1ccc(OCF)cc1 2278489915 ZDJVMIQKTWAJRB-CYBMUJFWSA-N 270.304 0.519 10 10 CCCE NC(=O)[C@H]1C[C@H]1C(=O)Nc1sc2c(c1C(=O)O)CCC2 2283647402 KCMJIXQWYUTIJU-NKWVEPMBSA-N 294.332 0.995 10 10 CCCE COc1cc(OC)c(N(C)[C@@H]2COC[C@@H]2O)cc1OC 2289449142 XDZSWYSRIBPMPF-MNOVXSKESA-N 283.324 0.908 10 10 CCCE [N-]=[N+]=NCCCCN1CCNC(=O)[C@@H]1C1CNC1 2326749267 XETSZZMTALJHJO-JTQLQIEISA-N 252.322 0.097 10 10 CCCE C[C@@H](c1ccccc1O)N(C)C[C@@]1(O)CNC[C@@H]1O 2332172117 SZBXOJQOLNWCPO-BPNCWPANSA-N 266.341 0.080 10 10 CCCE O=C1C[C@]2(CCN(C(=O)c3cc(O)c(O)c(O)c3)C2)CN1 170190661 HQRISXONTLSPKC-CQSZACIVSA-N 292.291 0.156 10 10 CCCE Nc1ccc(CC(=O)NC2CCS(=O)CC2)cc1 157757453 CRSZQSJBJXYMEB-UHFFFAOYSA-N 266.366 0.839 10 10 CCCE Cc1cc(O)c([C@H]2NC(=O)[C@@H]3COCCN32)cc1C 93885081 ISUNGJLJFUOHNL-AAEUAGOBSA-N 262.309 0.838 10 10 CCCE C[C@H](NS(=O)(=O)Cc1ccc(N)cc1)c1nncn1C 50225991 OOQRTUCZCUVGRK-VIFPVBQESA-N 295.368 0.578 10 10 CCCE CC(=O)C(=O)COC(=O)c1cn2c(n1)CCCC2 808548725 PNYDBHFKMHOEQE-UHFFFAOYSA-N 250.254 0.534 10 10 CCCE CCS(=O)(=O)NC1CN(c2ccc(CNC)c(C)c2)C1 2165588076 WRWHSIBLORLGCF-UHFFFAOYSA-N 297.424 0.842 10 10 CCCE CN[C@H](C)c1ccc(N(CC(N)=O)CC(N)=O)cc1Cl 723171672 UTWATGSOWJACTJ-MRVPVSSYSA-N 298.774 0.397 10 10 CCCE C[C@H](N)c1ccc(N2CCN(C(N)=O)CC2)cc1O 722195498 XJYRWWWKZJQKNN-VIFPVBQESA-N 264.329 0.613 10 10 CCCE NOCCS(=O)(=O)Nc1ccc(O)cc1Cl 722254556 GBWGHUQUJZTFGS-UHFFFAOYSA-N 266.706 0.678 10 10 CCCE CNC(=O)[C@H]1CCN(c2ccc3c(c2)NC(=O)[C@H]3N)C1 723181822 QLDGRHPYWKSGNG-UFBFGSQYSA-N 274.324 0.211 10 10 CCCE Oc1ccc(F)cc1CN1CCN2C[C@H](O)C[C@H]2C1 848925935 IMHLFBOIIRCUJY-QWHCGFSZSA-N 266.316 0.782 10 10 CCCE CC(=O)N1CC[C@H](CNC(=O)c2c(F)ccc(O)c2O)C1 857259917 NBFNHWPJRIHKHL-SECBINFHSA-N 296.298 0.835 10 10 CCCE CC1(CNC(=O)Cc2ccc(O)c(O)c2)OCCO1 1446404564 GGPMQVWVVGIYLM-UHFFFAOYSA-N 267.281 0.520 10 10 CCCE Cc1cc(NS(=O)(=O)c2nn(C)cc2N)ccc1O 1876473142 JJNHYPYVOASMDA-UHFFFAOYSA-N 282.325 0.817 10 10 CCCE C[C@H](O)c1cc(F)c(N2CC[C@@H](O)[C@H](O)C2)c(F)c1 1880478843 ISOAXIRZBXKPLO-UPZJHPNMSA-N 273.279 0.950 10 10 CCCE C[C@H](O)c1cc(F)c(N2C[C@@H](O)[C@@H](CO)C2)c(F)c1 1880482879 SSTCFMDOMSPQQG-LPBBDHJYSA-N 273.279 0.808 10 10 CCCE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)NCCN=[N+]=[N-] 1882298794 XOQFMBSPSLBOCF-HTQZYQBOSA-N 287.320 0.687 10 10 CCCE COc1ccc(N2CCN(C(=O)CCO)CC2)cc1 49855549 DKBGHOPWRPWUPO-UHFFFAOYSA-N 264.325 0.726 10 10 CCCE C[C@H]1CCN(C(=O)c2cccc(O)c2O)[C@@H](C(N)=O)C1 1154942800 PMSAQJVLPWRKDW-WCBMZHEXSA-N 278.308 0.824 10 10 CCCE COc1ccc(N(C)C[C@@]2(O)CCNC[C@@H]2O)cc1 1890526589 PPNHGTVZLGXZHH-KBPBESRZSA-N 266.341 0.217 10 10 CCCE N[C@H](C(=O)NCCCCCO)c1ccccc1O 83392610 WLEGWGDDWKHGJY-LBPRGKRZSA-N 252.314 0.671 10 10 CCCE COC(CNC(=O)[C@@H](N)c1ccc(C)cc1O)OC 83497406 DMLBZWTZHSJIJG-LBPRGKRZSA-N 268.313 0.436 10 10 CCCE CC(C)[C@@H]1CNCCN1C(=O)c1cc(O)nc(O)c1 704549390 CJJHDSXNXBRREC-JTQLQIEISA-N 265.313 0.563 10 10 CCCE C[C@]1(CO)CCCN(C(=O)c2cc(O)nc(O)c2)C1 688042584 JEKFGORXLFBWEJ-ZDUSSCGKSA-N 266.297 0.727 10 10 CCCE COCCNCc1ccc(N2CCC[C@@H]2C(N)=O)cc1 62735006 PZRMUUXHVFLNJO-CQSZACIVSA-N 277.368 0.877 10 10 CCCE C[C@@H](N[C@H](CO)CN(C)C)c1c(O)cccc1O 716702740 AUUAVPOIENPRHW-ZJUUUORDSA-N 254.330 0.671 10 10 CCCE O=C(NC[C@H]1CCCC[C@H]1O)c1cc(O)nc(O)c1 85978420 HGTRCBPGMMMLMY-PSASIEDQSA-N 266.297 0.774 10 10 CCCE C[C@H](O)CCNC(=O)c1ccn(-c2ccc(N)cc2)n1 85962263 PIBDNSDJGCHLLC-JTQLQIEISA-N 274.324 0.955 10 10 CCCE O=C(CN1CC=CC[C@@H]1CO)c1ccc(O)c(O)c1 2119806433 AZYVWVHLKOAGNX-LLVKDONJSA-N 263.293 0.903 10 10 CCCE COc1ccc2c(c1)S(=O)(=O)C[C@@H](C)N2CC(=O)O 211110483 FVGZSDOSAYIOQJ-MRVPVSSYSA-N 285.321 0.762 10 10 CCCE C=CC(=O)N(C)CC(=O)NCc1cccc(O)c1O 1471642148 LSIITIVTMJHGCL-UHFFFAOYSA-N 264.281 0.358 10 10 CCCE CC(C)[C@H](CO)ONC(=O)Cc1ccc(O)c(O)c1 1637388074 PWCOXMLBYDYQJE-LBPRGKRZSA-N 269.297 0.705 10 10 CCCE O=C1Cc2c(C(=O)NCc3cc(O)ccc3O)ccnc2N1 1633599140 PVJRZNQGHWYOAF-UHFFFAOYSA-N 299.286 0.917 10 10 CCCE O=C(N[C@@H]1Cc2cnccc2NC1=O)c1cccc(O)c1O 1643852150 PMSAVBDVYYHGMW-LLVKDONJSA-N 299.286 0.786 10 10 CCCE Cc1ccnc2nc(C(=O)N3CC[C@@H](N=[N+]=[N-])C3)nn12 1912208934 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0.373 10 10 CCCE Nc1ccc(CC(=O)N[C@H]2CC(=O)N3CCC[C@H]23)cc1 2188499175 MRJYYBZYPDQLMF-QWHCGFSZSA-N 273.336 0.691 10 10 CCCE O=C1Nc2cc(N3CC[C@H](O)[C@H](O)C3)c(Cl)cc2[C@H]1O 2188676969 DJPWVGAQTRFYPY-QJPTWQEYSA-N 298.726 0.257 10 10 CCCE C[C@H](Cn1cccn1)NC(=O)c1cc(O)c(O)c(O)c1 2188867965 JYAIPHKRASKYQX-MRVPVSSYSA-N 277.280 0.818 10 10 CCCE CO[C@H]1COCC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2188868897 YSPBIUMJSUULEL-KWQFWETISA-N 283.280 0.337 10 10 CCCE [N-]=[N+]=NCCCN[C@]1(C(=O)O)CCCNC(=O)C1 2042111118 DYGULSFLWYDYRH-SNVBAGLBSA-N 255.278 0.400 10 10 CCCE C[C@H](O)c1ccc(N2CC(NC(N)=O)C2)cc1O 2044811677 BUHNUSQQEUDJQT-ZETCQYMHSA-N 251.286 0.302 10 10 CCCE O=C1CO[C@@H]2CCN(c3ccc(CO)cc3F)C[C@@H]2N1 2185522214 NZELHZYSCOVIBD-WCQYABFASA-N 280.299 0.412 10 10 CCCE CC(C)c1ncc([C@H](NCCN=[N+]=[N-])C(N)=O)[nH]1 2050359739 DEINIZDRSPFYJS-QMMMGPOBSA-N 251.294 0.959 10 10 CCCE O=C1CC[C@@H]1CS(=O)(=O)NCc1ccccc1O 2057996486 DWGJEIJTNFFYET-SNVBAGLBSA-N 269.322 0.791 10 10 CCCE COc1cc(N)c(N2CCO[C@@H]([C@@H](C)N)C2)cc1OC 2191560012 QOUSLCMGTWZSMT-YMTOWFKASA-N 281.356 0.838 10 10 CCCE CN(C(=O)CCc1ccc(N)cc1)[C@@]1(CN)CCOC1 2191677389 BPNRCJQCYJZHDI-OAHLLOKOSA-N 277.368 0.778 10 10 CCCE [N-]=[N+]=NCCN1CC(N2CCN(C3CC3)CC2)C1 2070428481 ZOWWIIZAPNESQH-UHFFFAOYSA-N 250.350 0.761 10 10 CCCE CN(C(=O)C1=C[C@H](O)[C@@H](N)C1)c1cccc(C(=O)O)c1 2188033457 UQGAZVDHTCEQGS-RYUDHWBXSA-N 276.292 0.366 10 10 CCCE CN(CCCN=[N+]=[N-])C(=O)N[C@H]1CCS(=O)(=O)C1 2077271884 ZDSRNTOWEWGNBX-QMMMGPOBSA-N 275.334 0.515 10 10 CCCE Cc1cc(N2C[C@H](O)[C@@H](O)[C@@H]2CF)ccc1CO 2084798974 RBWWZVXNCCUVBB-AVGNSLFASA-N 255.289 0.367 10 10 CCCE NC(=O)[C@H]1C[C@@H](N)CN(c2ccc3c(c2)CCO3)C1 2106381458 DUVVGYAADSYGNA-WDEREUQCSA-N 261.325 0.260 10 10 CCCE CCNC1CC(NC(=O)Cc2ccc(O)c(O)c2)C1 2087729339 MLPYGRNHJRAWNS-UHFFFAOYSA-N 264.325 0.897 10 10 CCCE C[C@H](NC1CN(S(C)(=O)=O)C1)c1ccc(O)cc1O 2089189873 DYVKRSYNVCUMOV-QMMMGPOBSA-N 286.353 0.392 10 10 CCCE NC(=O)C1(N)CN(c2ccc3c(c2)OC(F)(F)O3)C1 2109480854 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C[C@@]1(CNC(=O)CCc2ccc(N)cc2)CCNC1=O 2200807400 WQSHLJBZLQSIBB-HNNXBMFYSA-N 275.352 0.844 10 10 CCCE NCc1nnc2n1CCN(Cc1ccc(O)c(O)c1)C2 2203323557 AGLBFQNMPUHMIB-UHFFFAOYSA-N 275.312 0.164 10 10 CCCE COc1ccc(N2CC(NC(N)=O)C2)c(CO)c1 2220428547 LYLXYFFSTUUFRR-UHFFFAOYSA-N 251.286 0.044 10 10 CCCE COc1ccc(N2CCOC[C@@H]2[C@H](O)CO)cc1F 2226783950 OIVWNYWQSFUCFF-VXGBXAGGSA-N 271.288 0.393 10 10 CCCE N=c1nnc(OC[C@@H]2CC(F)(F)C23CCC3)n[nH]1 2254896365 ZXHCSXKNEPGAEU-LURJTMIESA-N 257.244 0.883 10 10 CCCE C[C@H]1CN(Cc2ccc(O)cc2O)CC2(CNC2)O1 2272934377 CFZDWYKXIVRNJV-JTQLQIEISA-N 264.325 0.661 10 10 CCCE O=C(CN1CC[C@@]2(O)C[C@@H]2C1)c1ccc(O)c(O)c1 2265178563 KFIOWBUFZCHPEL-QMTHXVAHSA-N 263.293 0.737 10 10 CCCE COC[C@@H]1[C@H](O)[C@@H](O)CN1c1ccc([C@@H](C)N)c(C)c1 2285127933 FWSGXBALPMQAGI-RABLLNBGSA-N 280.368 0.572 10 10 CCCE CN(C(=O)CN1C[C@H]2COC[C@H]1C2)c1ccc(N)cc1 2286852592 RGKTWVARMCEKQC-SMDDNHRTSA-N 275.352 0.952 10 10 CCCE NCCCC[C@H](Nc1c(N)cccc1C(=O)O)C(=O)O 2289602040 MKHFBAVRFLXCSI-JTQLQIEISA-N 281.312 0.961 10 10 CCCE O=C(NC1(CO)CCOCC1)c1cc(O)c(O)c(O)c1 1148589571 CFXZUGHMQKCCIS-UHFFFAOYSA-N 283.280 0.075 10 10 CCCE Oc1cc2c(cc1O)CN(CC1(F)CNC1)CC2 2318670659 DBSYEOWRHGTWDT-UHFFFAOYSA-N 252.289 0.767 10 10 CCCE N=c1nnc(OCc2coc(C(F)(F)F)n2)n[nH]1 2319627007 NRASCIJQCHLAEE-UHFFFAOYSA-N 262.151 0.265 10 10 CCCE [N-]=[N+]=N[C@H]1CCC[C@H]1NC(=O)[C@H]1CC[C@@H](C(=O)O)O1 2333613050 KIQSXJRHBAWTFD-XAVMHZPKSA-N 268.273 0.966 10 10 CCCE C[C@@H](C(=O)N(C)C)N1CCc2cc(O)c(O)cc2C1 2341216881 QYVTYYNWIZLMOV-VIFPVBQESA-N 264.325 0.933 10 10 CCCE C[C@H]1NC[C@]1(NCc1ccc2c(c1)CCO2)C(=O)O 2351450767 PJNBWPGFNAYUMV-YMTOWFKASA-N 262.309 0.526 10 10 CCCE Nc1ccc(NC(=O)N2CC3(COC(=O)N3)C2)cc1 2351840261 YMFMPEHOEQUHTM-UHFFFAOYSA-N 262.269 0.595 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCN[C@@H]2CC[C@H]12 2355657861 VXMOQQFGJHAPPR-TUAOUCFPSA-N 276.336 0.897 10 10 CCCE C[C@@H](N)[C@H]1CCN(C(=O)c2ccc(O)c(O)c2)C1 300439189 OLIKGLLZMABNAE-SCZZXKLOSA-N 250.298 0.907 10 10 CCCE CN(c1ccc(CN)cc1)[C@H]1CCS(=O)(=O)C1 37412367 ZMDHSIIRAIESAS-LBPRGKRZSA-N 254.355 0.769 10 10 CCCE CN1CCc2cc(CN3CCN(CC(=O)O)CC3)ccc21 86731090 OAUUXFCIQCGCSG-UHFFFAOYSA-N 289.379 0.881 10 10 CCCE C[C@@H](OC(=O)CCOc1ccc(N)cc1)C(=O)NC(N)=O 41100812 OUGKYPKCOHHSFZ-MRVPVSSYSA-N 295.295 0.164 10 10 CCCE CCOC(=O)[C@H](NCCN=[N+]=[N-])c1cncn1C 90257426 MJRBDAYMBWBXFR-SECBINFHSA-N 252.278 0.924 10 10 CCCE CN(C)c1ccc([C@H](Cc2cn(C)nn2)NN)cc1 234253072 HXMNUEXXAKMCCK-ZDUSSCGKSA-N 260.345 0.628 10 10 CCCE CC(=O)C(=O)COC(=O)CNC(=O)c1ccc(C)c(C)c1 808494699 HIZCUDGKCMQUPW-UHFFFAOYSA-N 291.303 0.735 10 10 CCCE CCOC(=O)c1cccc(N)c1N[C@@H]1C[C@H](O)C[C@H]1O 2165111012 XTPJYVMGAQJYFH-XXILOJSOSA-N 280.324 0.742 10 10 CCCE Nc1ccc(O)c(CN2C[C@@H](O)[C@@H](O)CC23CCC3)c1 2169876295 RMVBPKDRXLAJFF-UONOGXRCSA-N 278.352 0.825 10 10 CCCE CCN[C@H](C)c1ccc(N2CC(C(N)=O)C2)cc1O 723164376 CLFGCMPSPVKZQM-SECBINFHSA-N 263.341 0.984 10 10 CCCE CC(=O)C(=O)COC(=O)c1cnc(OCC2CC2)cn1 808549256 SZFMRHDUPKGFMT-UHFFFAOYSA-N 278.264 0.580 10 10 CCCE C[C@@H](Cn1cncn1)NC(=O)Cc1ccc(N)cc1 827202163 XPAAFDAXXPQGDQ-JTQLQIEISA-N 259.313 0.608 10 10 CCCE CNS(=O)(=O)CCNC/C=C/c1ccc(N(C)C)cc1 835046380 VSHMJQNYMAXPAF-SNAWJCMRSA-N 297.424 0.905 10 10 CCCE C[C@@H](NC[C@H](O)CS(C)(=O)=O)c1ccccc1O 927031490 OFIPSFKHQVQNTF-ZJUUUORDSA-N 273.354 0.448 10 10 CCCE Cc1cc(CO)ccc1N1C[C@@H](O)C[C@]1(C)CO 698137272 KEHHSSITCGGGFX-GXTWGEPZSA-N 251.326 0.809 10 10 CCCE CC(=O)C(=O)COC(=O)[C@H]1C[C@]1(C)Br 860120805 UXKOXVFKBPHKNW-MUWHJKNJSA-N 263.087 0.861 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@@H]3CC[C@H]3C2=O)cc1 1876404707 ZZJVDNPMSVGZJB-CMPLNLGQSA-N 280.349 0.967 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@@H](O)Cc1cnn(C)c1 787121784 OVDPMCIKEUDFAL-AWEZNQCLSA-N 289.335 0.688 10 10 CCCE C[C@H](NC(=O)[C@H]1CO[C@@H](CN)C1)c1ccccc1O 1877587496 FOYKJSKJTYWLHZ-HBNTYKKESA-N 264.325 0.933 10 10 CCCE COC(=O)[C@@H](C)NC(=O)COc1ccc(N)cc1 49351514 RWYLEOOUDUHFOZ-MRVPVSSYSA-N 252.270 0.325 10 10 CCCE COc1ccc(N2[C@H](C)C(=O)NC(=O)[C@H]2C)cc1OC 74414606 QQYSVXSEVLNQDN-RKDXNWHRSA-N 278.308 0.944 10 10 CCCE CC(C)[C@H](NC(=O)c1cccc(O)c1O)C(=O)N(C)C 1962896127 WAELXPMCZKANIE-NSHDSACASA-N 280.324 0.940 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NCC[C@]1(O)CCOC1 1469797479 NJNTUHYISXKHAR-AWEZNQCLSA-N 281.308 0.298 10 10 CCCE Nc1ccc(OCCCN2CCOC[C@H](O)C2)cc1 399861035 PGDSRLLRYLCCRN-CYBMUJFWSA-N 266.341 0.731 10 10 CCCE C[C@@H](c1ccc(O)cc1O)N1CCN(C)[C@H](C(=O)O)C1 686105278 TZSCZTKTSNYXGX-CABZTGNLSA-N 280.324 0.859 10 10 CCCE COC[C@](C)(CN)N(C)C(=O)c1ccc(O)c(O)c1 689873029 PAJREGGUOBWQEN-ZDUSSCGKSA-N 268.313 0.534 10 10 CCCE CN(C)C[C@@H](O)CN(C)C(=O)c1ccc(O)c(O)c1 690203374 LZFCDBYTNKSVGU-SNVBAGLBSA-N 268.313 0.092 10 10 CCCE COc1ccc(CN(C)CCOCCN)c(O)c1 699529217 QYDFNGLTUCQVIX-UHFFFAOYSA-N 254.330 0.808 10 10 CCCE CC(=O)N[C@@H](C)CN[C@@H](C(=O)O)c1ccc(N(C)C)cc1 211922709 FHSLNVBDSRMIBD-IINYFYTJSA-N 293.367 0.993 10 10 CCCE COc1coc(C(=O)NCc2cccc(O)c2O)cc1=O 1558162121 VLQONMOYCYBWNB-UHFFFAOYSA-N 291.259 0.990 10 10 CCCE Cc1cnc2nc(C(=O)NCc3ccc(O)cc3O)nn2c1 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LWGAAAKPCXSDDB-ZYHUDNBSSA-N 295.335 0.496 10 10 CCCE CN(C)c1ccc([C@H](NC(=O)CO)c2nccn2C)cc1 1865949545 XVZIJSSWVZXBGI-AWEZNQCLSA-N 288.351 0.684 10 10 CCCE COc1ccc(CN2C[C@H](C(=O)O)CC2=O)c(O)c1 11897143 FCVVAZURBQWSOZ-SECBINFHSA-N 265.265 0.834 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@H]2C[C@@H](O)[C@H]1C2 2132350954 RXGVNUBXHMZTFG-FTLITQJKSA-N 265.265 0.399 10 10 CCCE O=C1C[C@H](NCc2cccc(O)c2O)[C@H]2CCCN12 2131981012 ZLFWEYKDYAVHGV-WDEREUQCSA-N 262.309 0.951 10 10 CCCE CN1C[C@@H]2C[C@H]1CN2CC(=O)Nc1ccc(N)cc1 2131013519 GZLPORZFSMLPRX-STQMWFEESA-N 260.341 0.596 10 10 CCCE CN1C[C@H]2C[C@H]1CN2c1ccc2c(c1)NC(=O)[C@@H]2N 2131053444 IKIGXYKLKFTHDQ-OPQQBVKSSA-N 258.325 0.531 10 10 CCCE CC1(C)C[C@@H](O)[C@H](O)CN1c1ccc(CN)c(F)c1 2132116270 PJNUFHLZKMXTBR-CHWSQXEVSA-N 268.332 0.995 10 10 CCCE Nc1ccc(CC(=O)NCC2(C(=O)O)COC2)cc1 2131418583 IHWSWEKNYLACFV-UHFFFAOYSA-N 264.281 0.029 10 10 CCCE CCN(CC)c1ccc(CNCC(O)(CO)CO)cc1 1913790674 XJUUKWKOPPIBCN-UHFFFAOYSA-N 282.384 0.338 10 10 CCCE Nc1ccc(NC(=O)CN2C[C@@H]3C[C@@H]3[C@@H]2CO)cc1 1905556810 SBSKXYJNFGSWTC-XDTLVQLUSA-N 261.325 0.520 10 10 CCCE Nc1ccc(OCCNC(=O)C[C@H]2COCCO2)cc1 1916723241 MTYNXPBSYPHYLN-ZDUSSCGKSA-N 280.324 0.569 10 10 CCCE Nc1ccc(CC(=O)N2CC[C@@](F)(CO)C2)cc1 1917137170 AWLQIIMJFANEAK-ZDUSSCGKSA-N 252.289 0.744 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CC(CCO)C1 1970189159 XQBPAJJUQWGKAH-UHFFFAOYSA-N 251.282 0.481 10 10 CCCE COc1ccc(O)c([C@@H](C)N[C@@H]2CC(=O)N(C)C2=O)c1 116073232 WEDWQZPRVQPSCP-LDYMZIIASA-N 278.308 0.809 10 10 CCCE C[C@@H]1CN(S(=O)(=O)Cc2ccc(N)cc2)CC(=O)N1C 1925954090 FZBIUARMMYQMIM-SNVBAGLBSA-N 297.380 0.261 10 10 CCCE CN1C[C@@H](C(=O)O)N(Cc2ccccc2O)CC1=O 1968209320 VBBWJBYRFPOMHQ-JTQLQIEISA-N 264.281 0.119 10 10 CCCE COc1ccc(N2CCOC[C@]2(CN)CO)cc1Cl 2138245960 LKCYLTIRMDWKKJ-ZDUSSCGKSA-N 286.759 0.875 10 10 CCCE COCCN(CCCN)C(=O)c1ccc(O)c(O)c1 234662091 ULZINMGASBEHEW-UHFFFAOYSA-N 268.313 0.535 10 10 CCCE Cn1ncc(S(=O)(=O)Nc2ccc(N)cc2)n1 1940854749 AHFNCUNKFBZGDW-UHFFFAOYSA-N 253.287 0.198 10 10 CCCE CN1CCc2cc([C@@H](O)C(=O)c3cn(C)nn3)ccc21 2147115834 MSBKEXUQYYFUAM-CYBMUJFWSA-N 272.308 0.724 10 10 CCCE N[C@H](CC1(c2ccc(O)c(O)c2O)CC1)C(=O)O 1952531138 ASPSRDNTVQMYTH-SSDOTTSWSA-N 253.254 0.637 10 10 CCCE COC(=O)[C@@H]1C[C@@]1(N)c1cccc([N+](=O)[O-])c1O 1952763946 PPPCCLUUBDCENL-WRWORJQWSA-N 252.226 0.647 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1C[C@H](CO)C2(CC2)C1 2144090815 MRCMDHLTZFQJMD-LLVKDONJSA-N 277.320 0.871 10 10 CCCE C[C@@H](c1ccccc1O)N(C)S(=O)(=O)c1cn(C)nn1 2144426330 LKAARKBMWGHVFG-VIFPVBQESA-N 296.352 0.902 10 10 CCCE COc1cc(O)c([C@@H](N)CCC(=O)O)cc1C(=O)O 258743208 XPXQJLUZYZDCMI-QMMMGPOBSA-N 269.253 0.964 10 10 CCCE CN1[C@H](COC(=O)Cc2ccc(N)cc2)CCS1(=O)=O 2144911672 CLDLEEFCRKBNEO-LBPRGKRZSA-N 298.364 0.388 10 10 CCCE CN(C)CCN[C@@](C)(C(N)=O)c1ccc(N(C)C)cc1 37945881 ZWZYRVDVIYOUJP-OAHLLOKOSA-N 278.400 0.604 10 10 CCCE NC(=O)[C@@H]1CCCN(C(=O)COc2ccc(N)cc2)C1 38055506 ZHBRALSFFLSPNW-SNVBAGLBSA-N 277.324 0.372 10 10 CCCE O=C(NC[C@@H]1C[C@@H]2OCC[C@H]2N1)c1cccc(O)c1O 2146639342 SVHMGWGQAXXVOQ-XRNSZHNASA-N 278.308 0.347 10 10 CCCE CO[C@H]1COC[C@H]1N1CCN(c2ccc(N)cc2)CC1 2146756085 LNYVLSLXMQWPHK-CABCVRRESA-N 277.368 0.805 10 10 CCCE CN1CCC[C@H](NS(=O)(=O)Cc2ccc(N)cc2)C1 40672017 MBAPZWHYFWASBK-ZDUSSCGKSA-N 283.397 0.782 10 10 CCCE CS(=O)(=O)C1CN(C(=O)CCOc2ccc(N)cc2)C1 2152281754 UNWOUYUTUJANCM-UHFFFAOYSA-N 298.364 0.293 10 10 CCCE C[C@]12C[C@H]1C(=O)N(CC(=O)Nc1ccc(N)cc1)C2=O 2152344473 KDFZHNJYZGZTSA-HZMBPMFUSA-N 273.292 0.602 10 10 CCCE C[C@H](O)[C@H]1CCN(c2ccc3c(c2)N(C)C(=O)[C@@H]3N)C1 167825091 FRNUNSVUTHJSLO-PKFCDNJMSA-N 275.352 0.870 10 10 CCCE CN(C)C(=O)[C@H]1COCCN1c1ccc(CN)c(F)c1 2155016778 KAIBRVQIPMPWFD-CYBMUJFWSA-N 281.331 0.578 10 10 CCCE C[C@H](NCc1ccc2c(c1)CCCO2)C(=O)NC(N)=O 2160556013 BPCNMHOLHPOGEX-VIFPVBQESA-N 277.324 0.685 10 10 CCCE NN[C@@H](c1ccccc1O)C1CCS(=O)(=O)CC1 2029555634 LCWKWXLOLRYUIR-GFCCVEGCSA-N 270.354 0.721 10 10 CCCE C[C@@H](c1ccc(O)cc1O)N1CCOC[C@@H](N)C1 2034712740 CFZHDTJJVDZHHI-UWVGGRQHSA-N 252.314 0.818 10 10 CCCE CO[C@H]1COCC[C@@H]1NCc1ccc(O)c(O)c1O 311790985 ZUSUBIQGNPFDDV-ONGXEEELSA-N 269.297 0.697 10 10 CCCE Nc1ccc(CCC(=O)N2C[C@H](O)[C@@H](CO)C2)cc1 316311947 BAXPXPCVSOGIBO-YPMHNXCESA-N 264.325 0.013 10 10 CCCE CC[C@@H](N)c1ccc(N2C[C@@H](O)[C@H](CO)C2)cc1 316583666 WGZYMMWFGOASAX-IACUBPJLSA-N 250.342 0.886 10 10 CCCE CNCc1ccc(N2C[C@@H](O)[C@@H](CO)C2)cc1C 317116569 QHGKPNNVNIEWFZ-TZMCWYRMSA-N 250.342 0.504 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1C[C@H]2C[C@H]1CS2(=O)=O 319717026 FNJZSTBVSSZGRF-DTWKUNHWSA-N 283.305 0.109 10 10 CCCE CN(Cc1cnn(C)n1)c1ccc2c(c1)NC(=O)[C@H]2N 2172423757 GVWWWZJCBDRDEZ-LBPRGKRZSA-N 272.312 0.403 10 10 CCCE C[C@@]12CNC[C@@H]1CN(C(=O)c1ccc(O)c(O)c1)C2 702125685 PGLPILJYBRBGAD-YGRLFVJLSA-N 262.309 0.779 10 10 CCCE C[C@H]1[C@H]2CC[C@@H](C[C@]1(NCCN=[N+]=[N-])C(=O)O)N2 686156628 OKBJQISCLYJQIA-WYOJIJJFSA-N 253.306 0.870 10 10 CCCE CO[C@H]1CS(=O)(=O)C[C@H]1N(C)CCCN=[N+]=[N-] 696998857 WONRWPQKVLDAKX-BDAKNGLRSA-N 262.335 0.431 10 10 CCCE Oc1cccc(CNC[C@@H]2CN3CCN2CC3)c1O 394769350 XNMUENQVBBJTBW-GFCCVEGCSA-N 263.341 0.187 10 10 CCCE CC(=O)c1ccc(O)c(CN2C[C@@H](O)[C@H](O)C2(C)C)c1 2181214796 MGBBSQUHWHWSCD-KGLIPLIRSA-N 279.336 0.911 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3CCN(C)[C@@H]4C[C@@H]43)ccc21 2168372891 NTPFNXZQAMPRRQ-RDBSUJKOSA-N 272.352 0.792 10 10 CCCE O=C(O)[C@H]1C[C@@H](O)CCN1C(=O)c1ccc(O)c(O)c1 2177449477 FKYXTIDGNADABH-DTWKUNHWSA-N 281.264 0.148 10 10 CCCE O=C(O)[C@H]1[C@H]2C[C@H]1N(C(=O)c1cc(O)c(O)c(O)c1)C2 2188867862 IIPZEKGXSQPGEE-PJKMHFRUSA-N 279.248 0.349 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CC[C@@H](O)C2(CC2)C1 2188867597 DCFSBNGCMQTSJF-LLVKDONJSA-N 279.292 0.790 10 10 CCCE CO[C@@H]1C[C@H](NC(=O)c2cc(O)c(O)c(O)c2)C[C@H]1N 2188917412 WRRAPFWMMJSXRY-SOCHQFKDSA-N 282.296 0.038 10 10 CCCE CCn1nnc(COC(=O)COc2ccc(N)cc2)n1 2197863830 VFZPVWSXAVPDEB-UHFFFAOYSA-N 277.284 0.397 10 10 CCCE Nc1ccc(OCCN2C[C@@H]3C[C@H](C2)[C@@H](O)[C@H]3O)cc1 2182550878 PFAMBKUUHFIXCS-HGSJOUDDSA-N 278.352 0.321 10 10 CCCE CC1(C)C(=O)NC(=O)CN1c1ccc2c(c1)CC[C@H]2N 2184726354 OPAGXQBVHFZYCA-GFCCVEGCSA-N 273.336 0.874 10 10 CCCE N[C@@H]1CCc2cc(N3C[C@H]4C[C@H](O)[C@H](O)[C@H]3C4)ccc21 2184725174 BBXIEPKDSQSDOR-SGGNWBCFSA-N 274.364 0.953 10 10 CCCE Cc1nc([C@@H](O)[C@H](N)c2ccc(N(C)C)cc2)nn1C 2190731582 GRRSQBXECIQEMV-OLZOCXBDSA-N 275.356 0.923 10 10 CCCE C[C@@H](O)c1cnc(Sc2nc(O)n(C)c(=O)n2)s1 2041815087 OXUXINIUXRPNDH-SCSAIBSYSA-N 286.338 0.542 10 10 CCCE CN(CC(=O)c1ccc(O)c(O)c1)C[C@@]1(O)CCOC1 2185950448 PKWIYDQHDUDACT-AWEZNQCLSA-N 281.308 0.364 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC3(CCNCC3)C2)cc1 2191534995 HAWWRTVDFFINMP-UHFFFAOYSA-N 295.408 0.784 10 10 CCCE CNC[C@@H]1CN(c2cc3c(cc2N)OCCO3)CCO1 2191564837 UGZSTGOVOTXXKB-SNVBAGLBSA-N 279.340 0.465 10 10 CCCE Nc1ccc(OCC(=O)N2C[C@H]3OCC[C@H]3C2=O)cc1 2191655998 KZMZGQWXNTUMOY-VXGBXAGGSA-N 276.292 0.422 10 10 CCCE Nc1cc2c(cc1N1C[C@@H]3CCN[C@@H]3C1)NC(=O)CO2 2191841589 CXTKYIUSOAKWKF-GZMMTYOYSA-N 274.324 0.398 10 10 CCCE COc1cccc(CN2C[C@@H]3C[C@H]2CN3C(N)=O)c1O 2192235770 XBHGCPOLIWDWDZ-QWRGUYRKSA-N 277.324 0.738 10 10 CCCE C[C@H](c1c(O)cccc1O)N1C[C@H](O)C[C@H]1CN 2060806132 DKGATTGENAIGKW-KXUCPTDWSA-N 252.314 0.553 10 10 CCCE C[C@@H](CS(=O)(=O)Nc1ccc(O)c(F)c1)C(=O)O 2063559361 MFCGECSGRNMBER-LURJTMIESA-N 277.273 0.994 10 10 CCCE Nc1ccc(CCC(=O)N2CCO[C@@H]3COC[C@H]32)cc1 2192660851 GKRLLKVTQTXHCS-ZIAGYGMSSA-N 276.336 0.828 10 10 CCCE NC(=O)NCC1CN(c2ccc(CO)cc2F)C1 2067124976 HNLQGWGFCUHKOE-UHFFFAOYSA-N 253.277 0.423 10 10 CCCE CNCc1ccc(N2CC[C@@H](O)[C@@H](O)C2)cc1C 2068367788 ZKIZFZWJRYGNCR-KGLIPLIRSA-N 250.342 0.646 10 10 CCCE C[C@@H](NC(=O)[C@H](N)CC(=O)O)c1ccccc1O 2072492205 ZKXQQGXLDMJDPV-VXNVDRBHSA-N 252.270 0.371 10 10 CCCE C[C@@]1(O)CCN(CCc2ccc(N)cc2)C[C@H]1O 2077293860 WFALFDJFCJBGLV-ZIAGYGMSSA-N 250.342 0.629 10 10 CCCE Nc1ccc(O)c(CN2CC[C@H]3C(=O)NC[C@H]3C2)c1 2100940795 MSTJFTMNCSFASH-CMPLNLGQSA-N 261.325 0.542 10 10 CCCE Cc1cccc(O)c1[C@@H](C(N)=O)N1CCCNCC1 2104479784 LFNXKRPVJWOAGQ-ZDUSSCGKSA-N 263.341 0.522 10 10 CCCE CN1CCc2cc([C@@H](NN)c3ccnn3C)ccc21 2106862572 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CN(c1ccc(N)cc1)S(=O)(=O)N1CCC(O)CC1 1914150766 LKZJEDWWPWMDOQ-UHFFFAOYSA-N 285.369 0.407 10 10 CCCE CCN(C[C@H](O)COc1ccc(N)cc1)C1COC1 1915712337 HCKUETMCRHGPCX-ZDUSSCGKSA-N 266.341 0.729 10 10 CCCE NC(=O)[C@H]1CCCN(C(=O)c2ccc(O)c(O)c2)C1 226952745 DIZALUWSAGHCNF-VIFPVBQESA-N 264.281 0.435 10 10 CCCE O=S1(=O)CC[C@H](CNCc2cccc(F)c2O)N1 1967797558 PJUIKHGOJIUOFT-SECBINFHSA-N 274.317 0.313 10 10 CCCE C[C@@H](O)C[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 228120493 XXKQHYFYIXBORO-KKZNHRDASA-N 282.340 0.243 10 10 CCCE COCCNC(=O)[C@@H](C)N[C@H](C)c1ccc(O)cc1O 228988914 FNNCRWOUGSJIPF-NXEZZACHSA-N 282.340 0.900 10 10 CCCE COc1ccc(N2CC[C@@H]([C@](C)(O)CO)C2)c(N)c1 2138104881 TYXIXKOHSPODAH-QMTHXVAHSA-N 266.341 0.847 10 10 CCCE CNCc1cc(F)c(N2CC[C@H](C(N)=O)C2)c(F)c1 234398996 QALMPAFJUCPUDA-VIFPVBQESA-N 269.295 0.996 10 10 CCCE Cn1ccc(C(=O)NCCc2ccc(N)cc2)cc1=O 131838243 UGOQOWWULDLQIE-UHFFFAOYSA-N 271.320 0.940 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCCNCC1 1971233443 IFRDUZIEUWOCSG-NSHDSACASA-N 264.325 0.899 10 10 CCCE Nc1ccc(CC(=O)N2C[C@@H](CCO)[C@@H](CO)C2)cc1 1973402415 AAQJQLRSBMCOMN-CHWSQXEVSA-N 278.352 0.261 10 10 CCCE CCO[C@@H]1C[C@H](N)[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 2144017469 BKVKKNRIWHDKFK-BHYNMZESSA-N 280.324 0.261 10 10 CCCE CCN(CC(=O)NC)S(=O)(=O)Cc1ccc(N)cc1 36128334 MOVNGDIVLPVWIT-UHFFFAOYSA-N 285.369 0.167 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CCC([C@H](O)CO)CC1 2152462981 BETNDQIVOZRQBE-CYBMUJFWSA-N 281.308 0.303 10 10 CCCE CCCNS(=O)(=O)NCCc1ccc(O)c(O)c1 2031081116 BOVBXHRYLGPPOV-UHFFFAOYSA-N 274.342 0.474 10 10 CCCE Cc1cc(NS(=O)(=O)N2CCN[C@@H](C)C2)c(C)cc1O 2159529760 XSHNGINXYFCQPH-NSHDSACASA-N 299.396 0.959 10 10 CCCE C[C@H](N)CS(=O)(=O)NCc1ccc(N(C)C)cc1 2035436431 AHRVXFRWVBGJGB-JTQLQIEISA-N 271.386 0.519 10 10 CCCE Nc1ccc(OCC(=O)OC[C@H]2CCC(=O)N2)cc1 311417478 AUMANSBTGCSDJA-SNVBAGLBSA-N 264.281 0.469 10 10 CCCE CCOc1cccc(CN2C[C@H](N)[C@H]3COC[C@@H]32)c1O 2158358806 SVZHNRKHHSOQCU-AGIUHOORSA-N 278.352 0.949 10 10 CCCE CCCN1CCN(C(=O)c2ccc(O)c(O)c2)CC1=O 2158785401 QDMHEPVTGQLIMM-UHFFFAOYSA-N 278.308 0.792 10 10 CCCE COCCNCc1ccc(N2CC(O)(CO)C2)c(C)c1 2171949457 WJDIGHYREASGIS-UHFFFAOYSA-N 280.368 0.274 10 10 CCCE C[C@H](N)c1ccc(N2C[C@H](CO)[C@@H](CO)C2)cc1 704800335 DEONFQRAHUMORJ-CYZMBNFOSA-N 250.342 0.743 10 10 CCCE CCN[C@@H]1C(=O)Nc2cc(N3CC(F)(CO)C3)ccc21 2172926954 USUYQTNEVVBBEN-LBPRGKRZSA-N 279.315 0.810 10 10 CCCE NS(=O)(=O)C1(CNCc2ccc(F)c(F)c2O)CC1 714038553 AYDQRXBXWSNAAN-UHFFFAOYSA-N 292.307 0.581 10 10 CCCE Oc1ccc(CNC23CCN(CC2)C3)c(O)c1O 715690273 RLDDACVNOXSGKO-UHFFFAOYSA-N 250.298 0.741 10 10 CCCE Cn1ncnc1CNS(=O)(=O)Cc1ccc(N)cc1 389325806 KKOFBJMGXHVLCH-UHFFFAOYSA-N 281.341 0.017 10 10 CCCE CO[C@@H]1CCOC[C@H]1NCc1ccc(O)c(O)c1 724898290 ZWLKLNVOLVKCAA-ZWNOBZJWSA-N 253.298 0.991 10 10 CCCE N[C@@H]1C[C@H]2CN(Cc3c(O)cccc3F)CCN2C1=O 2173419524 BZOWTYFWUYVTMM-JOYOIKCWSA-N 279.315 0.275 10 10 CCCE C[C@H](NC[C@H]1CNC(=O)C1)c1cc(O)ccc1O 398362810 OBDLDUFKDKHHKK-IUCAKERBSA-N 250.298 0.885 10 10 CCCE CNC(=O)[C@H]1CCN(Cc2cccc(OC)c2O)C1 398473566 RIFXMHZHNNAUSH-NSHDSACASA-N 264.325 0.969 10 10 CCCE Cc1cc(O)n2ncc(C(=O)N3Cc4cnn(C)c4C3)c2n1 2064060669 LQPGEXUEQRGWGG-UHFFFAOYSA-N 298.306 0.633 10 10 CCCE O=C(O)[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)c1cc(O)nc(O)c1 2175292329 NVWZUZUAKSBJGC-QXHCQDJKSA-N 278.264 0.571 10 10 CCCE COc1cccc(O)c1CNC1CN([C@@H]2CCOC2)C1 2169356331 VZSSRJCOMXVLFF-GFCCVEGCSA-N 278.352 0.964 10 10 CCCE O=[N+]([O-])c1cc(N2C[C@H]3C[C@H]2CS3(=O)=O)ccc1CO 2188579005 ZKKVGOZKSHAKBK-WDEREUQCSA-N 298.320 0.463 10 10 CCCE CN(C)C(=O)CCCNC(=O)c1cc(O)c(O)c(O)c1 2188876226 YXRJHRJHJQQYGL-UHFFFAOYSA-N 282.296 0.402 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CC[C@H](O)[C@H]2CC[C@@H]21 2190242021 ACSCYRJNYOSCOZ-GUBZILKMSA-N 279.292 0.789 10 10 CCCE CN(c1ccc2c(c1)CCC[C@@H]2O)[C@H]1CC(=O)NC1=O 2184691973 VQYXVWVXDWLTSG-STQMWFEESA-N 274.320 0.908 10 10 CCCE COC[C@](C)(OC)C(=O)NCCOc1ccc(N)cc1 2198215167 IAXIDAUOFRYNML-AWEZNQCLSA-N 282.340 0.815 10 10 CCCE COc1cccc(CN[C@@H]2C[C@H](O)C[C@@H]2O)c1O 2046491281 WNBITHHABPTKCZ-AXFHLTTASA-N 253.298 0.375 10 10 CCCE Cn1nc(C(=O)O)cc1C(=O)NCc1ccc(N)cc1 2185848573 PYHRROGPACDQJL-UHFFFAOYSA-N 274.280 0.631 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC[C@@H]1C[C@H]1CF 2191352014 BJNQYTZBLVSWSO-DCAQKATOSA-N 282.315 0.689 10 10 CCCE Cc1ccc(O)c(CN[C@@H]2CCO[C@@H]2C(N)=O)c1 2053780616 QTDASKWIJPVWBL-PWSUYJOCSA-N 250.298 0.433 10 10 CCCE NC(=O)[C@@H]1OCC[C@@H]1NCc1c(O)cccc1Cl 2053788081 FFJUMIYOYFUBKN-GXSJLCMTSA-N 270.716 0.778 10 10 CCCE CN(C)CCCONC(=O)c1ccc(O)c(O)c1 2054420294 RADJGILJEQFYSS-UHFFFAOYSA-N 254.286 0.711 10 10 CCCE NC[C@@H]1C[C@@H](NC(=O)COc2ccc(N)cc2)CCO1 2191683794 ZDQIDFCOJWMQBA-AAEUAGOBSA-N 279.340 0.270 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)C[C@H]2N[C@H]3CC[C@H]2C3)C1 2056904206 FJYAYSUIANWHPP-UHFZAUJKSA-N 250.342 0.783 10 10 CCCE CN(C)c1ccc(CNC(=O)C2=C[C@@H](O)[C@H](N)C2)cc1 2188023545 VEPIBJIQTBEZOU-ZIAGYGMSSA-N 275.352 0.387 10 10 CCCE NC[C@]1(F)C[C@H](CNC(=O)c2cccc(O)c2O)C1 2111940558 JSWDCKCYRGTCFT-XCSCGOTBSA-N 268.288 0.905 10 10 CCCE COc1cc(N2CC(OCCO)C2)ccc1CN 2084013370 DJDUXCJIVLLFSY-UHFFFAOYSA-N 252.314 0.351 10 10 CCCE OCc1ccc(N2C[C@H](O)[C@H](O)[C@H]2CF)c(Cl)c1 2084798633 PGPVATQEDZYOPL-GRYCIOLGSA-N 275.707 0.712 10 10 CCCE CN[C@@H](C)c1ccc(N2CC(OCC(N)=O)C2)cc1 2089133041 JPCUKDZOCPAUJY-JTQLQIEISA-N 263.341 0.658 10 10 CCCE Nc1ccc(N2CCN(C[C@@H]3CC(=O)N3)CC2)cc1 2092748473 JMPOJWUHJMWTDA-LBPRGKRZSA-N 260.341 0.279 10 10 CCCE NC(=O)CN(Cc1ccc(N)cc1)[C@H]1CCC[C@H]1O 2099394028 BQWFJNMJNLWCTD-QWHCGFSZSA-N 263.341 0.470 10 10 CCCE CCN[C@H](c1ccccc1O)[C@](C)(O)CS(C)(=O)=O 2114032226 RMVJMCYCPOUNJR-CHWSQXEVSA-N 287.381 0.838 10 10 CCCE CNCc1ccc(N(C)[C@@H]2CC(=O)NC2=O)c(C)c1 2114726798 JYWJZOXXUYHBLN-GFCCVEGCSA-N 261.325 0.566 10 10 CCCE C[C@@]1(CNC(=O)c2cc(O)c(O)c(O)c2)CCNC1=O 2200831057 USGICTINPMSDND-ZDUSSCGKSA-N 280.280 0.059 10 10 CCCE Nc1cc2c(cc1N1CC[C@H](O)C[C@H]1CO)OCCO2 2200832873 NKWGSKGAGALOSV-UWVGGRQHSA-N 280.324 0.362 10 10 CCCE C[C@H](O[C@H](C)C(=O)O)C(=O)NCCc1ccc(N)cc1 2207309383 NQHCGSZNXRKNTH-VHSXEESVSA-N 280.324 0.806 10 10 CCCE CN(C)c1ccc(O[C@]2(C(=O)O)CCNC2)cc1 2221873700 FMCCCLJXOAKNNM-CYBMUJFWSA-N 250.298 0.948 10 10 CCCE Nc1ccc(OC[C@H](O)CN2C[C@H](O)C[C@@H](F)C2)cc1 2234684502 OINVIPFFSRZINL-RAIGVLPGSA-N 284.331 0.413 10 10 CCCE COC(=O)[C@@H]1CC[C@@H]1NC(=O)c1ccc(O)c(O)c1 2224845700 PYNDEEUNQUNHSK-BDAKNGLRSA-N 265.265 0.779 10 10 CCCE COc1ccc(N2C[C@@H]3C[C@H](C2)[C@@H](O)[C@H]3O)cc1OC 2235121474 UIMBNXPMZZEQNH-LMHVJCSRSA-N 279.336 0.882 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN1C(=O)[C@H]1CC[C@@H](C(=O)O)O1 2225792039 JOQIIENRQSCBLB-HLTSFMKQSA-N 268.273 0.920 10 10 CCCE N[C@@H]1C[C@H](F)CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2226290085 RFMMAGAUHXTQMT-JGVFFNPUSA-N 270.260 0.315 10 10 CCCE OCc1cc(F)c(N2C[C@@H](CO)C[C@@H](CO)C2)c(F)c1 2236635751 KGWRTLKVMDTCJU-PHIMTYICSA-N 287.306 0.884 10 10 CCCE COc1ccc(N2CC(n3cncn3)C2)c(CN)c1 2227681141 HHCXQNROCRKXJD-UHFFFAOYSA-N 259.313 0.807 10 10 CCCE CCn1c(O)cc(=O)n(CCCCN=[N+]=[N-])c1=O 2254727010 QXINKTYOIZJTNS-UHFFFAOYSA-N 253.262 0.826 10 10 CCCE Cc1cc([C@@H](C)O)ccc1N1CC[C@@H]1[C@@H](O)CO 2258309877 ZAKIPWDJMJOHQE-HONMWMINSA-N 251.326 0.980 10 10 CCCE CCOC[C@H](N)C(=O)NCc1cnc(SC)s1 2248594816 ZIVTTWIEFBTCCW-QMMMGPOBSA-N 275.399 0.845 10 10 CCCE Nc1ccc(CCC(=O)N2CC[C@H]2[C@H](O)CO)cc1 2270710990 UMGHTUQQUMKXGH-QWHCGFSZSA-N 264.325 0.156 10 10 CCCE COc1cc(OC)c(N2CCOC[C@@H]2CO)cc1OC 2289444805 AQZXJQCTICVQEP-JTQLQIEISA-N 283.324 0.910 10 10 CCCE Oc1c(F)cc(F)cc1CN1CCOC2(CNC2)C1 2272913387 NOVGYVLEESYZIT-UHFFFAOYSA-N 270.279 0.845 10 10 CCCE NCc1ccc(N2C[C@@H]3C[C@H](O)[C@H](O)[C@@H]2C3)cc1F 2330371840 ZEFYIFQTHDZGKO-PWURMNTRSA-N 266.316 0.605 10 10 CCCE O=C1Nc2cc(N3C[C@H]4C[C@H]4[C@@H]3CO)ccc2[C@@H]1O 2332563343 KCLCQAAULBIPEU-SJFDICSNSA-N 260.293 0.489 10 10 CCCE NCc1ccc(N2CC[C@@H]3C[C@H]2[C@H](O)[C@@H]3O)c(F)c1 2332598419 DMQXAMSDNKVJGN-PCDDKUFXSA-N 266.316 0.605 10 10 CCCE COC(=O)NC1CN(c2ccc([C@@H](C)O)c(O)c2)C1 2351830007 JNRHOWOUUZWFEI-MRVPVSSYSA-N 266.297 0.990 10 10 CCCE CC[C@H](C(=O)O)N(C)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 44625046 CLOIFFMBBPACDS-VHSXEESVSA-N 296.323 0.289 10 10 CCCE COC(=O)N[C@@H]1CCN(CC(=O)c2ccc(O)c(O)c2)C1 228297284 OPMKKJODDZCZTO-SNVBAGLBSA-N 294.307 0.711 10 10 CCCE CN(C)CCN[C@@H](CN)c1ccc2c(c1)CCN2C 87912031 NPKNYTRYCRLOHW-AWEZNQCLSA-N 262.401 0.830 10 10 CCCE N[C@H]1CCC[C@@H]1CNC(=O)c1ccc(O)c(O)c1 236322766 PXABNTBLYZHUOC-ZJUUUORDSA-N 250.298 0.955 10 10 CCCE COc1cc(N)c(N(C)[C@H]2C[C@@H](C(N)=O)C2)cc1OC 703530857 RZOQUDVRECGBBT-DTORHVGOSA-N 279.340 0.986 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3C[C@@H]4C[C@H](C[C@@H]4O)C3)ccc21 2163564175 OHDNUXAWWFTRQH-GHSKTYPESA-N 273.336 0.846 10 10 CCCE O=C(CN1C[C@@H]2C[C@H](C[C@H]2O)C1)c1ccc(O)c(O)c1 2163568932 PFLIARXPSOQLFT-SUZMYJTESA-N 277.320 0.983 10 10 CCCE CO[C@@H]1CS(=O)(=O)C[C@H]1N(C)c1ccc([C@@H](C)O)cc1 696824617 RSSOHVPKHBQJHT-LERXQTSPSA-N 299.392 0.988 10 10 CCCE Nc1cc2c(cc1N1CC3CC1(CO)C3)NC(=O)CO2 694539203 XDSNAYYNOJWTLN-UHFFFAOYSA-N 275.308 0.561 10 10 CCCE Nc1ccc(CS(=O)(=O)NCC2CCNCC2)cc1 1876411637 SMYGNUDJBGPKAP-UHFFFAOYSA-N 283.397 0.688 10 10 CCCE COc1cc(N)c(N2C[C@H](O)C[C@H]2CN)cc1OC 1876552025 ARVYNWXOLMNPNJ-DTWKUNHWSA-N 267.329 0.184 10 10 CCCE C[C@@H](NCCCS(N)(=O)=O)c1ccc(O)cc1O 45066698 WHZLLXQJBXLMEJ-MRVPVSSYSA-N 274.342 0.427 10 10 CCCE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CC(N=[N+]=[N-])C1 1886236979 XZEAHHUPWKJKIB-VIFPVBQESA-N 299.331 0.783 10 10 CCCE N[C@@H](CCC(=O)NCc1ccccc1O)C(=O)O 83391528 CYHPSZUZCLZWHA-VIFPVBQESA-N 252.270 0.201 10 10 CCCE O=C(O)[C@H](O)C[C@@H]1NCCc2cc(O)c(O)cc21 83724685 HLKWEBZKJPPCEZ-GZMMTYOYSA-N 253.254 0.120 10 10 CCCE CN(Cc1ccc(O)c(O)c1)[C@H]1COC[C@@H]1C(=O)O 90428640 ZMDINFBKBSMMHB-UWVGGRQHSA-N 267.281 0.629 10 10 CCCE O=C(O)C1CN(c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 71173396 VQWCVZHAQSPHBA-UHFFFAOYSA-N 280.236 0.887 10 10 CCCE CN(C)C[C@H](O)CN(C)c1ccc(CN)cc1F 690197522 XWWVDDWOHQGHMO-NSHDSACASA-N 255.337 0.643 10 10 CCCE COc1cccc(CN2CCO[C@H]3CNC[C@H]32)c1O 686534980 RQVKRLHVXTZXLR-YPMHNXCESA-N 264.325 0.573 10 10 CCCE C[C@H](O)CCNS(=O)(=O)CCOc1ccc(N)cc1 85964663 FPVMBORSYUBYMK-JTQLQIEISA-N 288.369 0.338 10 10 CCCE CN1CCO[C@H](CNS(=O)(=O)Cc2ccc(N)cc2)C1 91662523 QYXXPSNRUKMKFH-CYBMUJFWSA-N 299.396 0.019 10 10 CCCE COC(=O)[C@]1(NCCN=[N+]=[N-])CCN2CCC[C@@H]21 168164489 PYCAGQAPBYVQTJ-KOLCDFICSA-N 253.306 0.666 10 10 CCCE CNc1cc(=NCCc2ccc(N)cc2)[nH]c(=N)[nH]1 2117371288 ZCDMGBWRSFSGOT-UHFFFAOYSA-N 258.329 0.590 10 10 CCCE C[C@@H]1CN(c2ccc3c(c2)NC(=O)[C@H]3N)CC[S@@]1=O 2115329600 SRPHHATTYRLIAN-KEMUKHNQSA-N 279.365 0.596 10 10 CCCE CCO[C@@H]1CS(=O)(=O)C[C@@H]1N1CCC[C@@H]1CN=[N+]=[N-] 2123015119 JGQXWKVHKUFTOW-OUAUKWLOSA-N 288.373 0.963 10 10 CCCE COCCN1C[C@@H](O)[C@H](N2CCC[C@H]2CN=[N+]=[N-])C1 2123007726 FAZLKUFUVAZIPF-QJPTWQEYSA-N 269.349 0.453 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H](CO)[C@H]1CCCOC1 1557021470 GBTKRKJPCBAQOA-RYUDHWBXSA-N 295.335 0.544 10 10 CCCE CCNC(=O)CCC(=O)NCc1c(O)cccc1O 1639288971 DJIVCPDDTPALAZ-UHFFFAOYSA-N 266.297 0.630 10 10 CCCE NC(=O)CC1CC(NC(=O)NCc2ccccc2O)C1 1684017651 YFLVXBXVFJDCCF-UHFFFAOYSA-N 277.324 0.845 10 10 CCCE Oc1ccc(CN2CCO[C@@H]3CCNC[C@@H]32)c(O)c1 2129070518 DYUZSTKDRCTZEF-GXTWGEPZSA-N 264.325 0.661 10 10 CCCE CNC(=O)[C@H]1COCCN1c1cc(OC)c(OC)cc1N 159250267 UFUSQRKRZVWEEH-LLVKDONJSA-N 295.339 0.237 10 10 CCCE COc1ccc(N2CCN(C)C[C@@H]2CN)c(OC)c1 250378589 LJSZWPQUZDMALG-NSHDSACASA-N 265.357 0.783 10 10 CCCE Cc1nn[nH]c1CNS(=O)(=O)Cc1ccc(N)cc1 2129911140 VGBBFPUOGWLBFD-UHFFFAOYSA-N 281.341 0.315 10 10 CCCE CN1CC[C@@H](Nc2c(N)cccc2C(=O)O)CC1=O 2131970745 BHZRWJHKJYUOMK-MRVPVSSYSA-N 263.297 1.000 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1[C@H]2CC[C@H]1CNC2 2132407280 OACNBLMBTIFGME-IUCAKERBSA-N 264.281 0.380 10 10 CCCE NC[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)C[C@H]1F 2132401923 WRPUCMVNEVOJSF-HTQZYQBOSA-N 270.260 0.172 10 10 CCCE O=[N+]([O-])c1cc2c(cc1N1C[C@H](O)[C@H](F)C1)OCCO2 1917275837 XDQJIOYEZZVULQ-XCBNKYQSSA-N 284.243 0.885 10 10 CCCE CN(C)CCN(C)c1cc2c(cc1N)OCC(=O)N2 111131985 PVJBSYQJDMEOAQ-UHFFFAOYSA-N 264.329 0.598 10 10 CCCE NC(=O)[C@H]1[C@H]2CN(c3ccc4c(c3)CC[C@@H]4O)C[C@H]21 2136588463 OZQDFRBQKOXXBO-CRWXNKLISA-N 258.321 0.834 10 10 CCCE CC(=O)N1CC(N[C@@H](C)c2ccc(O)cc2O)C1 1926265702 ICNWKINUUWNCCL-QMMMGPOBSA-N 250.298 0.979 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)[C@@H]1C[C@@H]2CNC[C@@H]21 1968739151 LOLMHARSPSDOPS-UTUOFQBUSA-N 276.336 0.612 10 10 CCCE COCCOCCNC(=O)[C@H]1CNc2ccccc2N1 229879934 HUZXCEPFIVIGKA-CYBMUJFWSA-N 279.340 0.672 10 10 CCCE Cc1cccc(CNC(=O)[C@@H]2C[C@H](N)CCO2)c1O 2139759596 YNXGPKWPLMLQFY-NEPJUHHUSA-N 264.325 0.823 10 10 CCCE CO[C@H]1CCN(C(=O)c2ccc(O)c(O)c2)[C@@H](CN)C1 234831180 FXKYNZFXPYNKTQ-MNOVXSKESA-N 280.324 0.676 10 10 CCCE NC(=O)[C@@H]1CCN(CC(=O)Nc2ccc(N)cc2)C1 236267624 IBMSRPXOKVFZHS-SECBINFHSA-N 262.313 0.015 10 10 CCCE COCC(=O)N1CCC(NCc2ccc(N)cc2)CC1 2148947905 CGFMOACTEHHVSG-UHFFFAOYSA-N 277.368 0.996 10 10 CCCE O=C(O)c1cn[nH]c(=NCCc2ccc(O)c(O)c2)c1 2148004270 NPIMSGBDRPAYSI-UHFFFAOYSA-N 275.264 0.663 10 10 CCCE CNC[C@H]1CC[C@@H](C)CN1C(=O)c1cc(O)nc(O)c1 2152080696 KRYMFLUGIYHTLL-MWLCHTKSSA-N 279.340 0.953 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN1C[C@H]1CCS(=O)(=O)N1 2009445315 NDULXWSPVRIGIW-RKDXNWHRSA-N 259.335 0.453 10 10 CCCE CS(=O)(=O)[C@@H]1CNC[C@@H]1Nc1ccccc1N 2017559537 ZGYXKUHTLLXJPS-WDEREUQCSA-N 255.343 0.066 10 10 CCCE C[C@H](N)c1ccc(N2CCOC[C@@H]2C(=O)N(C)C)cc1 2155016364 FCOZXIVNTUFAQA-SMDDNHRTSA-N 277.368 1.000 10 10 CCCE CC[C@H]1C[C@@H](N)CN1C(=O)c1cc(O)nc(O)c1 2028475884 QGVAFPNAVJZHSN-BDAKNGLRSA-N 251.286 0.445 10 10 CCCE COc1ccc(CNC[C@H]2COCCN2C)c(O)c1 700220844 ZQXKCSJPSRAPJT-LBPRGKRZSA-N 266.341 0.821 10 10 CCCE CS(=O)(=O)N1CC[C@@H](Nc2c(N)cccc2C(=O)O)C1 400204032 SHGIBROBBCUTNZ-MRVPVSSYSA-N 299.352 0.413 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CCC[C@](F)(CO)C3)ccc21 2157521858 QHTMKDCVGOSWOQ-GXTWGEPZSA-N 279.315 0.939 10 10 CCCE C[C@@H]1OCCN[C@H]1C(=O)NCc1ccccc1O 328209964 IJOBTYXZDNAYME-JOYOIKCWSA-N 250.298 0.385 10 10 CCCE [N-]=[N+]=NCCCCNC(=O)[C@H]1CCCN(C(N)=O)C1 701323221 PEFJXFBHCDUNKN-VIFPVBQESA-N 268.321 0.984 10 10 CCCE CS(=O)(=O)N1CCC[C@H]1C(=O)NCCCCN=[N+]=[N-] 701323045 JWMKMBIGZFVQIT-VIFPVBQESA-N 289.361 0.617 10 10 CCCE CS(=O)(=O)N[C@H]1CCN(CCc2ccc(N)cc2)C1 702984340 LHVPLMDIMHPUIJ-ZDUSSCGKSA-N 283.397 0.435 10 10 CCCE O=S1(=O)CC(CNCc2cccc(O)c2O)C1 706459819 HNIHNJFFGXCTQW-UHFFFAOYSA-N 257.311 0.232 10 10 CCCE COc1ccc(N2CCS(=O)(=O)[C@H](C)C2)c(N)c1 707509418 WPMZAXASCLXGAI-SECBINFHSA-N 270.354 0.901 10 10 CCCE CNCc1ccc(OC)c(CN2CCN(C)CC2=O)c1 2171228061 FHFUFAKIRQBEIF-UHFFFAOYSA-N 277.368 0.689 10 10 CCCE CC(C)(O)CCNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 381213084 VJWBLVDIJROQRO-JTQLQIEISA-N 282.340 0.245 10 10 CCCE C[C@H](N)CN(C)c1cc2c(cc1N)OCC(=O)N2 2071599113 MBCPXQRWGRQXNO-ZETCQYMHSA-N 250.302 0.383 10 10 CCCE Oc1cccc(CNC[C@H]2CN3CCN2CC3)c1O 394769453 XNMUENQVBBJTBW-LBPRGKRZSA-N 263.341 0.187 10 10 CCCE NC(=O)CN(CCC1(O)CCC1)Cc1ccc(N)cc1 396769212 RXCYTDYZSLGMQU-UHFFFAOYSA-N 277.368 0.861 10 10 CCCE C[C@H](c1c(O)cccc1O)N1CC(O)([C@@H](F)C(=O)O)C1 2172288924 GHXUWGMYNAFLPU-HQJQHLMTSA-N 285.271 0.628 10 10 CCCE Nc1ccc(CS(=O)(=O)NCc2cnn[nH]2)cc1 398280513 DJUKMTLUTNVAEL-UHFFFAOYSA-N 267.314 0.007 10 10 CCCE Cc1cc(O)n2ncc(C(=O)N3C[C@H]4C[C@H]4C3)c2n1 2063444759 WBSCFZIWEQQDNE-DTORHVGOSA-N 258.281 0.835 10 10 CCCE CN(CC(=O)Nc1ccc(O)c(O)c1)[C@@H]1CCC[C@H]1O 2063521699 AFVAKQCUESUJOR-GHMZBOCLSA-N 280.324 0.882 10 10 CCCE C[C@@H](O)c1ccc(N2CC[C@]3(CNC(=O)N3)C2)cc1O 2177669283 UVBLBCVPXAROOM-OTYXRUKQSA-N 277.324 0.707 10 10 CCCE O=C(N[C@@H]1[C@H]2C[C@@H]3CN[C@H]1[C@H]3C2)c1ccc(O)c(O)c1 2169561691 KKAUVWIQHKHLAZ-GAINTDAFSA-N 274.320 0.824 10 10 CCCE CCNC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)C1 2188912695 MAVDDLSQDLMAEW-VIFPVBQESA-N 280.324 0.875 10 10 CCCE COC[C@@H]1CCN(CC(=O)Nc2ccc(N)cc2)C1=O 2193620906 FYXAZXIMPFPKEN-JTQLQIEISA-N 277.324 0.702 10 10 CCCE CN[C@H](C)c1ccc(N2C[C@@H](O)C[C@H](O)C2)cc1 2043128634 GEHABNGENBPGAY-SWHYSGLUSA-N 250.342 0.899 10 10 CCCE CN1CCc2cc([C@H](O)[C@@H]3CCS3(=O)=O)ccc21 2044703049 QMBBVZHMXVULLC-STQMWFEESA-N 267.350 0.899 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)[C@@H]2NC[C@@H]3CCC[C@H]32)C1 2049786673 OHTKCONBHUKRJU-HKLXJQGRSA-N 250.342 0.640 10 10 CCCE Oc1ccc(CCNC[C@H]2COCCN2)cc1O 2052658748 FRBCZVTWGLCEHU-NSHDSACASA-N 252.314 0.218 10 10 CCCE C[C@H]1C[C@@H](O)CCN(C(=O)c2cc(O)nc(O)c2)C1 2103289092 WLLVKRBKMIDLIA-WPRPVWTQSA-N 266.297 0.726 10 10 CCCE [N-]=[N+]=NCC1(CNC(=O)CCn2cnnn2)CC1 2054027219 ULFCEWVWTWRNGT-UHFFFAOYSA-N 250.266 0.270 10 10 CCCE COc1ccc(O)c([C@@H](C)N[C@@H](CO)[C@@H](C)O)c1 2057085213 QTOVWLJEFFYLNE-LNLATYFQSA-N 255.314 0.793 10 10 CCCE C[S@@](=O)CC1(C)CN(CC(=O)c2ccc(O)c(O)c2)C1 2186348967 XDZWHZFCTPZNDT-HXUWFJFHSA-N 297.376 0.981 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CCNCC3(CC3)C2)cc1 2191640944 SQIOQPWTJWSBBS-UHFFFAOYSA-N 295.408 0.784 10 10 CCCE COC(=O)c1cccc(N)c1N[C@@H]1CO[C@H]2CNC[C@H]12 2191739583 YMIIITNGIYSJOU-JLLWLGSASA-N 277.324 0.454 10 10 CCCE Nc1ccc(NC(=O)N[C@@H]2COCC[C@H]2N)cc1 2071568173 IMTHWMWRXPUWTA-GHMZBOCLSA-N 250.302 0.507 10 10 CCCE C[C@H](NC(=O)[C@@H]1COC[C@H]1N)c1ccccc1O 2072488451 AHJKNJCHOGHRBL-JMJZKYOTSA-N 250.298 0.543 10 10 CCCE OC[C@H]1C[C@H]1NCc1ccc(N2CCOCC2)cc1 2101288233 HIFLUDZTZSYVDA-UKRRQHHQSA-N 262.353 0.994 10 10 CCCE COc1ccc(CN2CCC[C@](O)(CN)C2)c(O)c1 2101321542 IVDZOGIVDRKUTR-AWEZNQCLSA-N 266.341 0.686 10 10 CCCE COc1cccc(O)c1CN1CC(OCC(=O)O)C1 2104438009 LIJBOGGAWYBVEN-UHFFFAOYSA-N 267.281 0.686 10 10 CCCE NC(=O)[C@H](c1c(O)cccc1F)N1CCCNCC1 2104472537 CYODGBSRYJPKTC-LBPRGKRZSA-N 267.304 0.353 10 10 CCCE COc1ccc(N2C[C@H](N)[C@H]3COC[C@H]32)cc1OC 2106348617 YTXDLSRRQFFTAB-GRYCIOLGSA-N 264.325 0.866 10 10 CCCE CN(C)c1ccc([C@H](O)c2c(CN)nnn2C)cc1 2106789696 AKPQNWOFACQVBF-ZDUSSCGKSA-N 261.329 0.422 10 10 CCCE NC(=O)NC1CN(C(=O)CCc2ccc(N)cc2)C1 2106920628 BZTFYVIZRJYORP-UHFFFAOYSA-N 262.313 0.081 10 10 CCCE CN(CC(=O)O)C(=O)NCCOc1ccc(N)cc1 2107249729 VWWQSDDHKIRNQA-UHFFFAOYSA-N 267.285 0.374 10 10 CCCE Cc1cc(N2C[C@H]3CS(=O)(=O)C[C@H]3C2)ccc1CN 2087858507 NEKFPUGPBGOGFR-BETUJISGSA-N 280.393 0.935 10 10 CCCE NN[C@H](c1cn2cnnc2cn1)c1ccccc1O 2090043115 RMSPOGSXLBOLBI-LBPRGKRZSA-N 256.269 0.383 10 10 CCCE COc1cc(C(=O)N[C@@H](C)C[C@H](C)N)cc(OC)n1 2110628308 KLOBNUBYUISHRQ-IUCAKERBSA-N 267.329 0.954 10 10 CCCE CO[C@H]1CN(C(=O)c2cccc(O)c2O)CC[C@@H]1N 2090578436 BJJMLPMZCBOLBT-ONGXEEELSA-N 266.297 0.286 10 10 CCCE Cc1ccc(O)c(CN2C[C@@H](N)C[C@@H](C(N)=O)C2)c1 2094663631 ULGYTLUPAFJYEB-NEPJUHHUSA-N 263.341 0.335 10 10 CCCE Oc1ccc(CNC[C@@H]2COCCCO2)c(O)c1O 2097717114 DUGWCBIQDKRSBZ-SNVBAGLBSA-N 269.297 0.699 10 10 CCCE N[C@H]1CN(Cc2ccc(O)cc2O)[C@]2(CCOC2)C1 2098271856 LWFPVFRZDLMJKI-BXUZGUMPSA-N 264.325 0.790 10 10 CCCE CN1C(=O)N[C@H]2CN(c3ccc(CO)cc3)CC[C@H]21 2114814083 WGXYRIQNZQMQOB-QWHCGFSZSA-N 261.325 0.781 10 10 CCCE Oc1ccc(F)cc1CN[C@@H]1CCC[C@@H](O)[C@@H]1O 2217642116 KNTQIBVGNKKEED-RAIGVLPGSA-N 255.289 0.895 10 10 CCCE CCS(=O)(=O)CNC(=O)N1CC[C@H](CN=[N+]=[N-])C1 2218515712 ZIYVHJCFYUTXDS-MRVPVSSYSA-N 275.334 0.720 10 10 CCCE [N-]=[N+]=NCCCCN1CC(O)(C(F)(F)CO)C1 2250785964 UNGILXJWDJVNQT-UHFFFAOYSA-N 250.249 0.751 10 10 CCCE CSc1ncc(CNC(=O)C[C@H]2COCCN2)s1 2257025885 IBNZYCPNOOXPDY-QMMMGPOBSA-N 287.410 0.860 10 10 CCCE CCN[C@@H](C(N)=O)[C@@H](C)N(C)c1ccc(OC)cc1 2264356775 QETUUDFJHDAJCU-ZWNOBZJWSA-N 265.357 0.983 10 10 CCCE C[C@H](O)CN(CCN)C(=O)CCOc1ccc(N)cc1 2285339908 WZHYTLOKKPFTLV-NSHDSACASA-N 281.356 0.206 10 10 CCCE CNCc1ccc(N2CC([C@@H](O)CO)C2)c(F)c1 2315166402 MLDKSLMDGGJVKS-ZDUSSCGKSA-N 254.305 0.335 10 10 CCCE CCN(CCN=[N+]=[N-])S(=O)(=O)N1CCC(O)CC1 2315986857 JQFRBLRPIBPQJO-UHFFFAOYSA-N 277.350 0.320 10 10 CCCE COc1ccc(N2C[C@H]3CS(=O)(=O)[C@@H]3C2)c(C=O)c1 2336545274 FSXYHUCOLARJHP-GXFFZTMASA-N 281.333 0.741 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN1C(=O)[C@@H]1COC[C@H]1C(=O)O 2338347647 JVOSFTVMGFMKFB-IWSPIJDZSA-N 268.273 0.635 10 10 CCCE CC(=CCN)C(=O)N1CCc2cc(O)c(O)cc2C1 2341148523 UCUKEOJUJJGVLJ-UHFFFAOYSA-N 262.309 0.888 10 10 CCCE C[C@H]1CN[C@@H]1C(=O)N1CCc2cc(O)c(O)cc2C1 2341149144 BFMULOZQQJMLGK-SDBXPKJASA-N 262.309 0.590 10 10 CCCE COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CNC(=O)C2)c1 103529010 QTHSWFHKNGIOMW-RKDXNWHRSA-N 278.308 0.714 10 10 CCCE C[C@H]1CN(Cc2cc(N)ccc2O)C[C@@H](C)S1(=O)=O 400829663 OENVUMVYQZBRHS-AOOOYVTPSA-N 284.381 0.982 10 10 CCCE COC(=O)[C@H](C)S(=O)(=O)Nc1ccc(O)c(N)c1 2220565105 NPAHDVCXFRAEEK-LURJTMIESA-N 274.298 0.278 10 10 CCCE NCc1cc(F)c(N2CC[C@H](C(N)=O)C2)c(F)c1 236207732 PAMQQPWHZKXFSY-QMMMGPOBSA-N 255.268 0.735 10 10 CCCE CCC(=O)N1CCCC[C@H]1C(=O)OCC(=O)C(C)=O 808506730 QHEUKCCZYZGYMH-JTQLQIEISA-N 269.297 0.479 10 10 CCCE N[C@]12CCCC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 2169611905 DHWOUBJKGDLFCE-YGRLFVJLSA-N 277.324 0.836 10 10 CCCE c1csc(SC[C@@H]2CO[C@@H]3CNC[C@H]3O2)n1 2242757899 PZDWWXRVZVZDID-DJLDLDEBSA-N 258.368 0.991 10 10 CCCE O=C(NCc1c(O)cccc1F)[C@H]1CCS(=O)(=O)C1 928710266 RZWIIHDVLZNGLR-QMMMGPOBSA-N 287.312 0.582 10 10 CCCE CO[C@@H]1CS(=O)(=O)C[C@@H]1N[C@H]1CCc2cccc(O)c21 697296653 YYWWABUKVVYPSI-GMXVVIOVSA-N 297.376 0.781 10 10 CCCE CN1C[C@H](C(=O)NCc2cc(Cl)ccc2O)NC1=O 855022976 OEBQDUMQEUBQDI-SECBINFHSA-N 283.715 0.685 10 10 CCCE O=C(/C=C\c1ccc(O)c(O)c1)NCc1cnn[nH]1 779531512 NIHNAFHSRZQXIU-RQOWECAXSA-N 260.253 0.546 10 10 CCCE COc1c([N+](=O)[O-])ccc(CN2C[C@H]3C[C@@]3(O)C2)c1O 895652175 GAPLVPBLVCNWFI-NOZJJQNGSA-N 280.280 0.876 10 10 CCCE C[C@H](c1ccccc1O)N(C)S(=O)(=O)CC1CNC1 1880173224 YYFUOHSBMPDHAK-SNVBAGLBSA-N 284.381 0.934 10 10 CCCE COC(=O)c1cc(O)ccc1NS(=O)(=O)N1CCC1 795349270 YIMIXDAXMXJCMV-UHFFFAOYSA-N 286.309 0.541 10 10 CCCE COc1ccc(O)c(CN2C[C@H]3CS(=O)(=O)C[C@H]3C2)c1 897619387 VNLRYFWLCMKOTF-TXEJJXNPSA-N 297.376 0.877 10 10 CCCE CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](N)CO 1963264993 ZTAWIIVGDXVEOH-ZDUSSCGKSA-N 265.357 0.421 10 10 CCCE C[C@H]1C[C@H](NC(=O)c2cccc(O)c2O)CCS1(=O)=O 1597425127 KKFRFCVBJLUWCC-DTWKUNHWSA-N 299.348 0.793 10 10 CCCE CS(=O)(=O)N1CC(NCc2c(O)cccc2Cl)C1 1964593388 GBPHRSXEKHNRHR-UHFFFAOYSA-N 290.772 0.779 10 10 CCCE C[C@@H](O)CN(c1ccc2c(c1)NC(=O)[C@@H]2N)C1CC1 691362613 WQZQBTBUFFFLDV-AMIZOPFISA-N 261.325 0.988 10 10 CCCE CN(C)C[C@H](CO)N[C@H]1CCc2cccc(O)c21 716698112 CFWIDYKHYMPIKA-NEPJUHHUSA-N 250.342 0.892 10 10 CCCE O=C(O)[C@H]1CN(C(=O)c2cc(O)nc(O)c2)CCS1 699312769 ZDADBVOYCTWXNT-SSDOTTSWSA-N 284.293 0.135 10 10 CCCE CO[C@@H]1CN[C@@H](CNC(=O)c2ccc(O)c(O)c2)C1 2115852860 SFZJPOOSIXHMHP-ZJUUUORDSA-N 266.297 0.205 10 10 CCCE CO[C@H]1CN[C@H](CNC(=O)c2cccc(O)c2O)C1 2115849940 CENRLLJAQOGJNV-DTWKUNHWSA-N 266.297 0.205 10 10 CCCE COc1ccc(N2CCNC[C@H](O)C2)cc1OC 214896347 PEPOMLOWPOXCIT-NSHDSACASA-N 252.314 0.474 10 10 CCCE CNCc1ccc(N2C[C@@H]3[C@@H](CO)CO[C@H]3C2)cc1 2121592083 KQXRVEOQMICLCQ-CFVMTHIKSA-N 262.353 0.850 10 10 CCCE C[C@@H](C(=O)NC(N)=O)N(C)c1ccc(CN)cc1 34653882 GXFUDKJVLHGJRB-QMMMGPOBSA-N 250.302 0.165 10 10 CCCE Cn1cc([C@H](O)CNC(=O)c2c(F)ccc(O)c2O)cn1 1654376506 LIZICNJEDFNALE-SNVBAGLBSA-N 295.270 0.434 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCN(CCN2C(=O)CNC2=O)C1 1912162064 QVXDADJEWPAHEH-VIFPVBQESA-N 266.305 0.561 10 10 CCCE C[S@](=O)CCNC(=O)COc1ccc(N)cc1 157738670 CJFJEEMBPPDWOR-QGZVFWFLSA-N 256.327 0.142 10 10 CCCE O=C1CSC(=S)N1CCCN1CCOCC1 31769166 FMUSCTPIEOQLRQ-UHFFFAOYSA-N 260.384 0.569 10 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C[C@H](N)c1ccc(N2CC[C@@]3(C2)NC(=O)NC3=O)cc1 2170618388 PQFRSZYDYFVGMO-XPTSAGLGSA-N 274.324 0.495 10 10 CCCE CC1(C)[C@@H]2NCC[C@H]2[C@H]1NC(=O)c1cc(O)nc(O)c1 2175941125 GWKWOEUZVGTNAO-GGZOMVNGSA-N 277.324 0.609 10 10 CCCE COC[C@H](ON)C(=O)N(C)[C@@H](C)c1ccccc1O 710481181 SDXAJGCUYQFLBS-CABZTGNLSA-N 268.313 0.817 10 10 CCCE C[C@H]1CN(C)C[C@H]1NCc1ccc(O)c(O)c1O 722284958 MILNQYXCEYYTDW-WCBMZHEXSA-N 252.314 0.843 10 10 CCCE CCOC(=O)[C@@H](O)COC(=O)CCc1ccc(N)cc1 380728971 RRVYJQSYNAKJSW-LBPRGKRZSA-N 281.308 0.669 10 10 CCCE CN1CCN(C)[C@@H]([C@H](O)c2ccc3c(c2)CCN3C)C1 2163064963 ZNTVZZPUVBQRMK-HZPDHXFCSA-N 275.396 0.958 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CCN4CC[C@H]3C4)ccc21 381839021 YEGDIARMXXSLQH-GWCFXTLKSA-N 258.325 0.533 10 10 CCCE CCCN(CC(N)=O)C(=O)[C@H]1CNc2ccccc2N1 383394464 UGBDHAPCMNCXBS-GFCCVEGCSA-N 276.340 0.617 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3CC(O)C3)c(Cl)cc21 384075101 WANSXUCYIIOYRL-NSHDSACASA-N 267.716 0.734 10 10 CCCE NCc1ccc(N(CCO)CCCO)cc1Cl 385373450 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N[C@@H]1CCc2cc(N3C[C@@H]4C[C@H]3[C@@H](O)[C@H]4O)ccc21 2331551806 QCLPIYXDUHSAHT-ZRXSREQCSA-N 260.337 0.563 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)[C@H]2CC[C@@H]3CNC[C@H]3O2)C1 2334849682 FQOAWEYGSARAKE-AIPRNEOBSA-N 266.341 0.019 10 10 CCCE NC(=O)c1cn[nH]c(=NCCc2ccc(N)cc2)c1 2352137971 VZKDKSSQVJOPGF-UHFFFAOYSA-N 257.297 0.234 10 10 CCCE C[C@H]1C(=O)NCCN1CC(=O)c1ccc(O)c(O)c1 110660810 TUTJNJNCQFVPBD-QMMMGPOBSA-N 264.281 0.101 10 10 CCCE Nc1cc2c(cc1N1C[C@H]3[C@H](O)CC[C@H]3C1)NC(=O)CO2 228010613 CAJQLESDXGKNPF-IGJMFERPSA-N 289.335 0.807 10 10 CCCE Nc1ccc(OCCC(=O)N2CC(CO)C2)cc1 227196370 TTXOQJVAEWIJOZ-UHFFFAOYSA-N 250.298 0.488 10 10 CCCE CCN1CCc2cc(N3C[C@@H](O)[C@H](CO)C3)ccc21 2226654314 HDAKIQRABBPXNW-SWLSCSKDSA-N 262.353 0.858 10 10 CCCE COc1cccc([C@H]2NC(=O)[C@H]3COCCN23)c1O 93883299 DMUUGMZGVKMIJI-SKDRFNHKSA-N 264.281 0.230 10 10 CCCE CC(=O)c1ccc(O)c(CN2CC(=O)NC(=O)C2)c1 97269366 APNUFRRSWZFYEE-UHFFFAOYSA-N 262.265 0.053 10 10 CCCE O=C1NC(=S)S[C@@H]1CN1CCC[C@@H]1C(=O)O 247382230 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10 10 CCCE CN1CCN(c2ccc(CN3CC(=O)N(C)C3)cc2)CC1 765636222 OISGXHYYKLBHIF-UHFFFAOYSA-N 288.395 0.670 10 10 CCCE Cc1cccc(CN[C@@H]2CCn3nnnc3C2)c1O 1875667245 RARXOSYLYIFNOG-LLVKDONJSA-N 259.313 0.792 10 10 CCCE C[C@H]1OC(=O)N[C@H]1C(=O)N1Cc2cccc(O)c2C1 871204584 MBBGETWPFNJYRM-RDDDGLTNSA-N 262.265 0.731 10 10 CCCE Cn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(O)c(O)c2)n1 778926822 YIAKPFIOUGALSD-UHFFFAOYSA-N 292.251 0.670 10 10 CCCE CC1(C)CN[C@@H]1CNC(=O)COc1ccc(N)cc1 1876447724 XQZKVYZSSVHJNW-GFCCVEGCSA-N 263.341 0.762 10 10 CCCE NC[C@@H]1CC[C@H](NS(=O)(=O)Cc2ccc(N)cc2)C1 1876414714 XZBNZOXPHFZMFY-YPMHNXCESA-N 283.397 0.816 10 10 CCCE CN(Cc1cc(F)cc(F)c1O)C1CS(=O)(=O)C1 895398815 CYRFSXQFEZRUHS-UHFFFAOYSA-N 277.292 0.899 10 10 CCCE O=C(NC[C@]12C[C@H](CO1)C2)c1cc(O)c(O)c(O)c1 1879830912 UOEPJGKTKCXLNZ-PPRHIFSWSA-N 265.265 0.712 10 10 CCCE C[C@H](O)c1ccc(N2CC[C@](O)(CN(C)C)C2)cc1O 713703769 AIUMSCODHCBSIT-NHYWBVRUSA-N 280.368 0.948 10 10 CCCE C[C@H](c1ccc(F)cc1O)N1CCNC[C@@H]1C(=O)O 88658904 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CO[C@@H]1[C@H](OC)CN(c2ccc(CN)cc2)[C@@H]1CO 2225079144 BCSDOHOKYBBVJA-MCIONIFRSA-N 266.341 0.356 10 10 CCCE COc1ccc(N2C[C@H]3OCCO[C@@H]3C2)c(CCN)c1 2235977932 XEGYXXDFFRINCU-HUUCEWRRSA-N 278.352 0.800 10 10 CCCE COc1ccc(N2C[C@@H]3C[C@H](C2)[C@H](O)[C@@H]3O)c(C=O)c1 2235986172 MDENLMWDMFJXIP-FHYCKABGSA-N 277.320 0.686 10 10 CCCE COc1ccc(N2CCOC[C@H]2[C@H](O)CO)cc1Cl 2226926809 JSUGCXADVBZQGR-NWDGAFQWSA-N 287.743 0.907 10 10 CCCE COc1ccc(N2CCC[C@H]2[C@@H](O)CO)c(CN)c1 2227684761 YEVZNFPUMNKLDZ-KBPBESRZSA-N 266.341 0.476 10 10 CCCE COc1ccc(N2CCN(C(N)=O)CC2)c(CO)c1 2227709654 WLDYEWUZCDHSGC-UHFFFAOYSA-N 265.313 0.388 10 10 CCCE N[C@@H]1[C@H]2C[C@@H](CN(Cc3ccc(F)cc3O)C2)[C@H]1CO 2239328268 MEMNUYGPQIEWSQ-HTTKSJEASA-N 280.343 0.919 10 10 CCCE CN(c1ccc(N)cc1)S(=O)(=O)C1CC2(C1)OCCO2 2252842419 IPBKQVNJDANNJR-UHFFFAOYSA-N 298.364 0.940 10 10 CCCE NCc1ccc(N2CC[C@H]2[C@@H](O)CO)cc1Cl 2249551400 FDGGQVGWWNQNOV-RYUDHWBXSA-N 256.733 0.731 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CC(c2nncs2)C1 2285510156 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COc1cccc(O)c1CN1CCN(CCO)[C@@H](C)C1 779214830 UZIMQKKTYVVYPP-LBPRGKRZSA-N 280.368 0.899 10 10 CCCE NCCC1CC(NC(=O)COc2ccc(N)cc2)C1 1876524948 DSRPCINLRVVLAZ-UHFFFAOYSA-N 263.341 0.891 10 10 CCCE CO[C@@H]1CNC[C@@H]1C(=O)N[C@H](C)c1ccccc1O 1877585149 JLDYJFNBAZDQTM-SUZMYJTESA-N 264.325 0.804 10 10 CCCE NC(=O)N=Nc1ccc(C(=O)N[C@H]2CNC(=O)C2)cc1 1153323789 CGNFHYINTYKXGI-SECBINFHSA-N 275.268 0.467 10 10 CCCE COC[C@H](CCNC(=O)Cc1ccc(O)c(O)c1)OC 1300736930 NPZHOCOPQAUBHJ-NSHDSACASA-N 283.324 0.808 10 10 CCCE C[C@H](NC(=O)c1cn(C)c(=O)nc1O)c1ccccc1O 1302532679 ONFKISHUKMLSKE-QMMMGPOBSA-N 289.291 0.683 10 10 CCCE COCCNC(=O)CN(C)Cc1c(O)cccc1OC 1963482700 XWMAVGXGIREODF-UHFFFAOYSA-N 282.340 0.595 10 10 CCCE NC(=O)c1ccc(C(=O)NCc2cccc(O)c2O)[nH]1 1176564459 BBMCYTKOKAJKQX-UHFFFAOYSA-N 275.264 0.455 10 10 CCCE CN(C)CCCNC(=O)[C@@H](N)c1cccc(F)c1O 83513878 GNPBSWDMRQWRBG-NSHDSACASA-N 269.320 0.599 10 10 CCCE N[C@@H](c1nnc(CCC(=O)O)o1)c1cc(O)ccc1O 83588080 TYGFZLFAHINOGE-LLVKDONJSA-N 279.252 0.546 10 10 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CCCE COC(=O)[C@@H](NCCCO)c1c(O)cccc1OC 2104440357 ULNYRYCUYVKAQE-LBPRGKRZSA-N 269.297 0.587 10 10 CCCE C[C@H]1CCN(C(=O)c2cccc(O)c2O)[C@@H]1C(N)=O 2090253320 KXARVNYJUWWDCO-XVKPBYJWSA-N 264.281 0.434 10 10 CCCE CN1CCc2cc(CN[C@@H]3COC[C@@H]3CO)ccc21 2090325365 PBAWQYAIVSKXEU-UONOGXRCSA-N 262.353 0.776 10 10 CCCE C[C@@H](C(=O)O)S(=O)(=O)NCCc1ccc(O)c(O)c1 2091743141 LZSZSNIMSSLQSD-ZETCQYMHSA-N 289.309 0.033 10 10 CCCE Nc1ccc(O)c(CN2CCn3ncc(O)c3C2)c1 2112055148 QISZEBAVQVHHMM-UHFFFAOYSA-N 260.297 0.892 10 10 CCCE CN1CCc2cc(CN[C@@H]3CC(=O)NC3=O)ccc21 2096083284 BDORHCYGDZBPHJ-LLVKDONJSA-N 259.309 0.184 10 10 CCCE N[C@@H]1CCCc2cc(N3C[C@H](O)[C@@H](O)[C@@H]3CF)ccc21 2205607345 FHFLPVXAYFUILW-QPSCCSFWSA-N 280.343 0.903 10 10 CCCE O=C(NCCN1CCCO1)c1cccc(O)c1O 2218689791 KYFVYZWVIYTGFI-UHFFFAOYSA-N 252.270 0.465 10 10 CCCE Cc1cc([C@H](C)O)ccc1N1CC[C@](O)(C(N)=O)C1 2232097799 GHFLEYKAUSYCGN-IINYFYTJSA-N 264.325 0.475 10 10 CCCE CC1CC(NCc2cccc(O)c2O)(C(N)=O)C1 2223867662 ISKYLTQECZIGAH-UHFFFAOYSA-N 250.298 0.841 10 10 CCCE OC[C@]1(O)CCN(c2ccc3c(c2)COCC3)C[C@H]1O 2235068767 FNCQFQBJEZZWBZ-HUUCEWRRSA-N 279.336 0.054 10 10 CCCE NC(=O)C1(O)CCN(c2ccc3c(c2)COCC3)CC1 2235068875 GOQHRAUCZOUETF-UHFFFAOYSA-N 276.336 0.576 10 10 CCCE Cc1nn[nH]c1CCNC(=O)Cc1ccc(N)cc1 2226270510 KCPYFVUKUPSVNR-UHFFFAOYSA-N 259.313 0.597 10 10 CCCE COc1ccc(N2CC[C@H](NC(N)=O)C2)c(CO)c1 2227708268 GOAWHZSYZMBWSW-JTQLQIEISA-N 265.313 0.435 10 10 CCCE CN(C)c1ccc(O[C@@]2(C(=O)O)COC[C@@H]2N)cc1 2229373452 MBDUEAYBEMNUBE-AAEUAGOBSA-N 266.297 0.312 10 10 CCCE CN1CCOC[C@@H]1COC(=O)COc1ccc(N)cc1 2283094502 ZSGVSAKTYBXUOX-GFCCVEGCSA-N 280.324 0.521 10 10 CCCE CN[C@@H](C(N)=O)[C@@H](C)N(C)c1ccc(OC)cc1 2253403840 PFGDTZYBMCRALP-BXKDBHETSA-N 251.330 0.593 10 10 CCCE CSc1ncc(CNC(=O)C2(CN)CC(O)C2)s1 2257085168 GFLBJPVDJQKKEA-UHFFFAOYSA-N 287.410 0.581 10 10 CCCE CSc1ncc(CN2CC(=O)N[C@H](C)C2=O)s1 2248697940 WZZIZDCNTCDSNF-ZCFIWIBFSA-N 271.367 0.712 10 10 CCCE Oc1ccc(CCN[C@H]2COC3(COC3)C2)cc1O 2270767286 FGPCNIYRRVISBQ-LLVKDONJSA-N 265.309 0.788 10 10 CCCE F[C@@H]1COC[C@@H]1NCc1ccc(N2CCNCC2)cc1 2286066332 RNLXVHHZSSTCFH-CABCVRRESA-N 279.359 0.923 10 10 CCCE OC[C@@H]1CN(c2ccc(OC3CC3)cc2)C[C@@H](O)[C@H]1O 2289358494 SRAIIRAVINBMTQ-VQISRLSMSA-N 279.336 0.378 10 10 CCCE C[C@H](N)c1ccc(N2CC([C@@H](O)CO)C2)cc1O 2315166204 KMDOKWTXCAWVNE-SDBXPKJASA-N 252.314 0.201 10 10 CCCE CO[C@@H]1COCCN(Cc2cc(N)ccc2O)C1 2326643087 DEIMWIHQQBNICY-LBPRGKRZSA-N 252.314 0.822 10 10 CCCE C[C@@H](N)c1ccc(N2C[C@@H](O)[C@@H]3COC[C@@H]32)cc1O 2329192942 DIYBRBVWWIEHKW-PKINLEFWSA-N 264.325 0.608 10 10 CCCE C[C@@H](F)[C@H](N)C(=O)N1CCc2cc(O)c(O)cc2C1 2341153326 YLIOYLPTMPCIBV-KRTXAFLBSA-N 268.288 0.668 10 10 CCCE O=C(NCCN1CCOCC1)Nc1cc(O)c(O)c(O)c1 217278750 YJECODAPTFCLLO-UHFFFAOYSA-N 297.311 0.257 10 10 CCCE Cc1cc(C(=O)N(CC(N)=O)Cc2ccc(N)cc2)on1 44584838 FBERHMJDXRUHNI-UHFFFAOYSA-N 288.307 0.693 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CCC[C@@H]1CCO 380737490 JYHDNMJUHGFDTI-SECBINFHSA-N 252.270 0.480 10 10 CCCE COCCNCc1ccc(N2CCCNC(=O)C2)c(F)c1 87885093 ATHYGCJDYPVZDG-UHFFFAOYSA-N 295.358 0.888 10 10 CCCE CN(Cc1ncnn1C)c1ccc2c(c1)NC(=O)[C@H]2N 708256481 GJPMCZMQUIHNKN-LBPRGKRZSA-N 272.312 0.403 10 10 CCCE O=C(O)C1=NN(c2ccc(F)c(F)c2)C(=O)[C@@H]1CCO 642879644 XSMYXNKXGCWHCQ-SSDOTTSWSA-N 284.218 0.751 10 10 CCCE CC(=O)C(=O)COC(=O)Cc1ccc2c(c1)COC2 808536418 IPJABRUIBNVMAG-UHFFFAOYSA-N 262.261 0.961 10 10 CCCE C[C@](O)(C(=O)O)[C@@H](N)c1cc(Br)ccc1O 713758995 GWXBJNAFTNPYJU-WCBMZHEXSA-N 290.113 0.990 10 10 CCCE CN1C[C@@H](CNC(=O)c2ccc(O)c(O)c2)CC1=O 723391358 DLMWFCJOPWDCGY-MRVPVSSYSA-N 264.281 0.306 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@H]1CCN(C)S1(=O)=O 843820643 XJRDENCBZINPHI-GFCCVEGCSA-N 298.364 0.385 10 10 CCCE CC(C)(C(=O)NCc1c(O)cccc1F)S(C)(=O)=O 928705572 LLPHDQLMCUGPKD-UHFFFAOYSA-N 289.328 0.971 10 10 CCCE COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)CO)C2)cc1 854300420 ZKWQQLRRZWOGMH-RYUDHWBXSA-N 293.367 0.954 10 10 CCCE CSc1ncc(CNC[C@H]2C[C@@H](O)CN2)s1 2243840528 QQXYKQLDNUDINL-HTQZYQBOSA-N 259.400 0.677 10 10 CCCE CO[C@H]1CS(=O)(=O)C[C@H]1OCc1ccc(N)cc1 696823872 YLIGKCLZGNAUJE-NWDGAFQWSA-N 271.338 0.597 10 10 CCCE CC[C@H](NC(=O)[C@@H]1CNc2ccccc2N1)C(=O)NC 697873179 USWKNUSWOWERIZ-CABZTGNLSA-N 276.340 0.533 10 10 CCCE COc1ccc(N(CCO)CCCN)cc1OC 2255088374 BMYNLIYIOBNLJJ-UHFFFAOYSA-N 254.330 0.851 10 10 CCCE NC(=O)c1cccc(N)c1N[C@@H]1CCN[C@@H]2CC[C@H]21 1876498205 FDMHCQGPCQBZEG-GGZOMVNGSA-N 260.341 0.920 10 10 CCCE CN(C[C@@H]1CCCN1)C(=O)COc1ccc(N)cc1 1876439552 LKSGFZXJSKCBET-LBPRGKRZSA-N 263.341 0.858 10 10 CCCE CN(CC(N)=O)c1c(F)cc(C=CC(=O)O)cc1F 1898247658 DTFNXYITLNBQGV-UHFFFAOYSA-N 270.235 0.984 10 10 CCCE NC(=O)CCCN1CCNc2cc3c(cc21)OCCO3 76895644 FUQFMNDJECDGHU-UHFFFAOYSA-N 277.324 0.955 10 10 CCCE COc1ccc(=O)n(CC(=O)Nc2ccc(N)cc2)n1 134499291 MLHBNCCWTQVTFN-UHFFFAOYSA-N 274.280 0.473 10 10 CCCE NC(=O)[C@H]1CC[C@H]1C(=O)NCc1c(O)cccc1O 1304053540 NFLOIZNQSDMJHM-JGVFFNPUSA-N 264.281 0.226 10 10 CCCE C[C@H](NC[C@H](C)S(N)(=O)=O)c1ccc(F)cc1O 398243248 GSRUERFTWHINNX-YUMQZZPRSA-N 276.333 0.859 10 10 CCCE Nc1ccc(CC(=O)N[C@H]2C=C[C@@H](C(=O)O)C2)cc1 92180696 ZUEGPICIDFZCLY-PWSUYJOCSA-N 260.293 0.957 10 10 CCCE Nc1ccc(OC[C@@H](O)CN2CC(F)(CO)C2)cc1 2116282943 OJDWJRFMHPXJPW-NSHDSACASA-N 270.304 0.025 10 10 CCCE CC(C)(O)[C@H](O)C(=O)NCc1ccc2cccnc2c1O 1469251534 YALIZEYZYSACER-CYBMUJFWSA-N 290.319 0.688 10 10 CCCE CNCc1ccc(N2CC3(CNC(=O)N3)C2)cc1C 2121197626 KKCYQKWIPVVPNB-UHFFFAOYSA-N 260.341 0.586 10 10 CCCE COc1ccc(N2CC[C@H](N)[C@H](CO)C2)cc1OC 2122389280 CVWBEFCJIDQAIN-JQWIXIFHSA-N 266.341 0.850 10 10 CCCE COc1ccc(N2CCCNC(=O)[C@@H]2CCN)cc1 216994417 OAXUXNOJLUHBCF-ZDUSSCGKSA-N 263.341 0.739 10 10 CCCE COc1ccc(N2CC(=O)NC[C@H]2CC(=O)O)cc1 217063256 QVYFHZMJQGXHPR-SNVBAGLBSA-N 264.281 0.475 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NCCNC(=O)C1CC1 1626870055 RCPQECZWZZJVGA-UHFFFAOYSA-N 278.308 0.283 10 10 CCCE C[C@H]1C[C@@H](NC(=O)Cc2ccc(O)c(O)c2)CO1 1557341820 UPGCNLCYAZWSLR-WCBMZHEXSA-N 251.282 0.934 10 10 CCCE CN(Cc1ccccc1O)c1cc(C(N)=O)ncn1 1559142995 FOBDJDVTTJTWGC-UHFFFAOYSA-N 258.281 0.918 10 10 CCCE C[C@H]1CCNC(=O)[C@H]1NC(=O)Cc1ccc(O)c(O)c1 1568086625 YTIRNICAFKOABZ-SDBXPKJASA-N 278.308 0.281 10 10 CCCE C[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ncn(C)n1 1634281082 XRUYWGJGPSTKGE-QMMMGPOBSA-N 276.296 0.646 10 10 CCCE [N-]=[N+]=NCCCNC1(C(N)=O)CC(n2cccn2)C1 2125747120 PXEVZZCJTPKOGJ-UHFFFAOYSA-N 263.305 0.732 10 10 CCCE [N-]=[N+]=NC[C@H]1CCN(C(=O)[C@H]2CCCC(=O)N2)C1 1912168106 RSBMAIPMTBZSSD-RKDXNWHRSA-N 251.290 0.814 10 10 CCCE [N-]=[N+]=NC[C@H]1CCN(C(=O)[C@@H]2CCS2(=O)=O)C1 1912161166 FVJOREYWDYLSPO-SFYZADRCSA-N 258.303 0.332 10 10 CCCE CN1CCN(c2ccc(CNCCCN)cc2)CC1 107797346 IHWPLPJPAWXHKD-UHFFFAOYSA-N 262.401 0.877 10 10 CCCE C[C@H](CO)CS(=O)(=O)NCCc1ccc(O)c(O)c1 2127130904 SSHPGWLVRNTYBH-SECBINFHSA-N 289.353 0.188 10 10 CCCE C[C@H](NC(=O)NCc1nnn(C)n1)c1ccccc1O 1682016829 QSUYOKDNMFDCDZ-QMMMGPOBSA-N 276.300 0.476 10 10 CCCE C[C@@]1(CO)C[C@@H](O)CN1c1ccc2c(c1)CC[C@H]2N 2128311546 WHDVJOBLPZJHSS-YUELXQCFSA-N 262.353 0.955 10 10 CCCE Oc1ccc(CN2CCO[C@@H]3CCNC[C@H]32)cc1O 2129072320 QAGBLAAUUIQNDV-BXUZGUMPSA-N 264.325 0.661 10 10 CCCE CN(C(=O)CCc1ccc(N)cc1)[C@@H]1COC[C@@H]1C(=O)O 158171168 MRGHEDUJGYCLEN-QWHCGFSZSA-N 292.335 0.759 10 10 CCCE CN1C[C@@H]2C[C@H](C1)N2c1ccc2c(c1)NC(=O)[C@@H]2N 2131081980 DCQYIBQHWHHZMB-GBIKHYSHSA-N 258.325 0.531 10 10 CCCE CC[C@H]1CN(C(=O)c2cc(O)nc(O)c2)C[C@H]1CO 2140805673 BSJBJMYAXGTIFX-WPRPVWTQSA-N 266.297 0.583 10 10 CCCE COCC1CN(c2ccc3c(c2)N(C)C(=O)[C@H]3O)C1 1916848509 QMLFFCNUHXMCDH-ZDUSSCGKSA-N 262.309 0.779 10 10 CCCE Cn1cc(COc2ccc(N3CCNCC3)cc2)nn1 236117100 BWSWUOLSZJJXBZ-UHFFFAOYSA-N 273.340 0.804 10 10 CCCE NC1CCN(c2n[nH]c(-c3ccc(O)c(O)c3)n2)CC1 236234410 RJZFYCBUDBLYGG-UHFFFAOYSA-N 275.312 0.810 10 10 CCCE C[C@@H](CS(=O)(=O)N(C)C)Nc1ccc(N)cc1 1945879980 GXCSDJFFUXUZPS-VIFPVBQESA-N 257.359 0.961 10 10 CCCE NCc1ccc(N2CC(OCCO)C2)cc1Cl 1946921896 XSDQQHJDTSATDY-UHFFFAOYSA-N 256.733 0.996 10 10 CCCE CN(C)Cc1cc([C@H]2CNC(=O)[C@@H]2C(=O)O)ccc1O 1952139806 JTQVRGYAVKMULN-ZYHUDNBSSA-N 278.308 0.368 10 10 CCCE CNCc1ccc(N2CCOC[C@H]2C(=O)NC)c(F)c1 160158061 QHWVQPWEGBWDGS-ZDUSSCGKSA-N 281.331 0.496 10 10 CCCE C[C@H](N)c1ccc2c(c1)CCN2C[C@@H]1CCS(=O)(=O)N1 2146187413 GPVBSQNOHLVYPV-GWCFXTLKSA-N 295.408 0.761 10 10 CCCE CN1C(=O)[C@@H](O)c2ccc(N3C[C@H](O)C(F)(F)C3)cc21 2152093524 ASEJHQCZSBFVRD-QWRGUYRKSA-N 284.262 0.513 10 10 CCCE Nc1ccc(CN2C(=O)[C@@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 2153253620 DFCYUOITPFBIBF-FNFFVJSTSA-N 272.304 0.931 10 10 CCCE Nc1ccc(CC(=O)OCC(=O)NCC2CC2)cc1 41098529 BYZZEHRWDGEHNF-UHFFFAOYSA-N 262.309 0.881 10 10 CCCE Cc1cccc(O)c1CN1CCNC[C@H]1C(=O)N(C)C 2160783824 BYSHCGHGWIXPCR-ZDUSSCGKSA-N 277.368 0.563 10 10 CCCE Oc1c(CNC[C@@H]2COC[C@H]2O)ccc(F)c1F 2036577892 OKMYTLMGORIYSW-PSASIEDQSA-N 259.252 0.767 10 10 CCCE CO[C@@H]1CN(C(=O)c2cccc(O)c2O)[C@@H]2COC[C@H]12 2158354069 QIPXTSHRCCGJFP-HOSYDEDBSA-N 279.292 0.584 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCC1[C@@H]2CC[C@@H]12 2160062838 FHGNVYBQRBRJQV-FOGDFJRCSA-N 276.336 0.740 10 10 CCCE CNC(=O)C[C@@H](C)NC(=O)[C@@H]1CNc2ccccc2N1 323016449 PTXFBQSBSVJMFY-SKDRFNHKSA-N 276.340 0.533 10 10 CCCE CN1C(=O)O[C@H]2CN(C(=O)c3cccc(O)c3O)C[C@H]21 2176924275 OGUMXLCMXMGFSZ-SCZZXKLOSA-N 278.264 0.373 10 10 CCCE CS(=O)(=O)N[C@@H]1CCN(CCCc2ccc(N)cc2)C1 702975155 JBPYCHUFBKTTOO-CQSZACIVSA-N 297.424 0.825 10 10 CCCE Nc1ccc(OCCC(=O)N2C[C@@H](CO)[C@@H](F)C2)cc1 2177142678 FMOCMUOGSCJOKK-GWCFXTLKSA-N 282.315 0.827 10 10 CCCE Nc1ccc(NC(=O)CCN2CC(O)(C(F)F)C2)cc1 2172115193 PPTLXXOMRRPAIT-UHFFFAOYSA-N 285.294 0.909 10 10 CCCE C[C@@H](c1ccc(O)cc1O)N1CC(O)([C@@H](F)C(=O)O)C1 2172291027 YQLDSKFJNOJMAX-CPCISQLKSA-N 285.271 0.628 10 10 CCCE CCn1cc([C@@H](NN)c2ccc(N(C)C)cc2)nn1 707835335 HKJTWLBGYZBKRQ-ZDUSSCGKSA-N 260.345 0.917 10 10 CCCE CO[C@@H](C(=O)NCc1cc(N)ccc1O)[C@@H]1CCCO1 2177482747 HXPGDFYZIDJOBX-QWHCGFSZSA-N 280.324 0.785 10 10 CCCE COC(=O)C1(O)CN(c2ccc(CO)c(Cl)c2)C1 714483511 SQXZAMRNHCZDLB-UHFFFAOYSA-N 271.700 0.556 10 10 CCCE Nc1ccc(OCC(=O)NCC[C@@H](O)C(F)F)cc1 717381266 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CN[C@@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)C1 2068623663 IRCLWBZZTBRQOX-MRVPVSSYSA-N 252.270 0.237 10 10 CCCE COC[C@](O)(CO)CN[C@H](C)c1ccc(F)cc1O 2102399161 LAGWQTUHQAUZJU-NOZJJQNGSA-N 273.304 0.552 10 10 CCCE Cc1cc(O)ccc1NS(=O)(=O)N1CCN[C@H](C)C1 2103305862 UNBDFMOGEIXRDW-SNVBAGLBSA-N 285.369 0.651 10 10 CCCE CCNS(=O)(=O)CCNCc1c(O)cccc1OC 2104439836 QZCLUBRVWDUHGV-UHFFFAOYSA-N 288.369 0.430 10 10 CCCE N[C@@H]1C[C@H]2C[C@H]1C[C@H]2NC(=O)c1ccc(O)c(O)c1 2104407672 IDMJHHCJEITBIO-LNFKQOIKSA-N 262.309 0.953 10 10 CCCE CNC(=O)OCCNC(=O)CCc1ccc(N)cc1 2104894085 HTDAGNJLKGNYET-UHFFFAOYSA-N 265.313 0.674 10 10 CCCE Nc1ccc(O)c(CN2CC(OCCCO)C2)c1 2085895939 NHJFLBMVCMVMFV-UHFFFAOYSA-N 252.314 0.558 10 10 CCCE O=C(N[C@H]1CC[C@H]2C[C@H]1CN2)c1cc(O)nc(O)c1 2088572641 DIRBMGNNWYSKOD-GUBZILKMSA-N 263.297 0.363 10 10 CCCE O=C(O)CC[C@@H]1CCN1C(=O)c1cc(O)nc(O)c1 2109432636 UWPQPOWFMFRTFG-MRVPVSSYSA-N 266.253 0.572 10 10 CCCE O=C(c1cccc(O)c1O)N1CCCC1(CO)CO 2089867335 CERKWDFJVFTRQA-UHFFFAOYSA-N 267.281 0.057 10 10 CCCE CN1CCc2cc(CN3C[C@H](N)C[C@@H](O)C3)ccc21 2111811747 JEGANVQYXLTPTI-ZIAGYGMSSA-N 261.369 0.573 10 10 CCCE Oc1c(F)cc(F)cc1CNC1(c2nn[nH]n2)CC1 2094707866 AUGCRNJMSOEAEE-UHFFFAOYSA-N 267.239 0.962 10 10 CCCE N[C@H]1CCO[C@@H](CNC(=O)c2cccc(O)c2O)C1 2097944155 BHIKMJLICPOFDB-DTWKUNHWSA-N 266.297 0.334 10 10 CCCE Cc1cc(CN)ccc1N1CCN(CCCO)CC1 2113619351 FRZYDVJUCSZHPR-UHFFFAOYSA-N 263.385 0.958 10 10 CCCE CO[C@@H]1CNC[C@H](C(=O)NCc2cccc(C)c2O)C1 2204619782 AHAZTWZMFUYQRI-OLZOCXBDSA-N 278.352 0.941 10 10 CCCE COc1cc(N(CCO)C[C@@H](C)O)ccc1CN 2218951209 VEAOCCFXSUJSTN-SNVBAGLBSA-N 254.330 0.333 10 10 CCCE C[C@H](O)CN(C(=O)c1cc(O)nc(O)c1)C1CCC1 2272330862 KIQIUJYPSDBHAO-QMMMGPOBSA-N 266.297 0.868 10 10 CCCE COc1cc(N(C)[C@@H]2COC[C@@H]2O)cc(OC)c1OC 2235133271 ZEPNELXFBWRXSG-MNOVXSKESA-N 283.324 0.908 10 10 CCCE COc1ccc(N2CC3(C2)OC[C@H](O)[C@@H]3O)cc1OC 2235119069 DCOVNCSXJMYULZ-GWCFXTLKSA-N 281.308 0.015 10 10 CCCE NCc1ccc(N2CC[C@](O)(CO)[C@H](O)C2)c(Cl)c1 2225727165 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C[C@]1(NC(=O)c2cc(O)nc(O)c2)CNCC1(F)F 2336514697 NESOULSKCGWCQV-JTQLQIEISA-N 273.239 0.220 10 10 CCCE CC[C@@H](C(=O)Nc1ccc(N)cc1)N1CCNCC1 62460961 HEVPDFWHTIHXOE-ZDUSSCGKSA-N 262.357 0.891 10 10 CCCE COCCNCc1ccc(N2CC[C@H](O)C2)cc1 62738298 UTSMFYXHOSYJDB-AWEZNQCLSA-N 250.342 0.994 10 10 CCCE O=C(NCCN1C(=O)CCCC1=O)c1cccc(O)c1O 405952692 SDAVBKMWTJXLTE-UHFFFAOYSA-N 292.291 0.367 10 10 CCCE CCOc1ccc(O)c(CN2C[C@@H](O)C[C@H]2CO)c1 187666349 HXWBQISJETXQHG-RYUDHWBXSA-N 267.325 0.718 10 10 CCCE NC(=O)[C@H](O)CNCc1cccc(Br)c1O 228609769 CDBZPQPDYSDKTG-MRVPVSSYSA-N 289.129 0.091 10 10 CCCE COC(=O)[C@@H](C1CC1)S(=O)(=O)NCc1ccccc1O 2167066950 QUBTUACUIGGJHH-GFCCVEGCSA-N 299.348 0.763 10 10 CCCE C[C@H](N[C@@H]1C[C@H]2C[C@H]1[C@H](O)[C@H]2O)c1cc(O)ccc1O 2166414550 JUFZTWYEKNGWJU-FWBZPNFLSA-N 279.336 0.879 10 10 CCCE CC(=O)C(=O)COC(=O)[C@]1(F)CCN(C(C)(C)C)C1 811443189 CDVDBFLUYCQHRV-ZDUSSCGKSA-N 273.304 0.900 10 10 CCCE CN1N=C=C(Br)/C1=C(\O)N=N[C-](N)O 725464004 KWMAULGBDDUDMF-CNSSTHMYSA-N 261.059 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CCCE COc1ccc(N2CC[C@@H]2[C@@H](O)CO)c(F)c1F 2258323381 IVDXKEDRJFCBPM-APPZFPTMSA-N 259.252 0.905 10 10 CCCE Cc1cc(N2C[C@H]3C[C@H]2[C@H](O)[C@@H]3O)ccc1[C@H](C)O 2269681156 JHBWICNIJYCBIT-VRLGFQJGSA-N 263.337 0.979 10 10 CCCE NC(=O)[C@H]1CCCCN1C(=O)C=Cc1ccc(O)c(O)c1 2307990275 FYNVGYKATGMJRO-LLVKDONJSA-N 290.319 0.977 10 10 CCCE CN(CCCN=[N+]=[N-])C(=O)[C@@H]1COC[C@@H]1C(=O)O 2316419174 RNGNOTABXZDXMO-SFYZADRCSA-N 256.262 0.492 10 10 CCCE Cc1cc([C@H](C)O)ccc1N1C[C@@H]2C[C@H]1[C@H](O)[C@H]2O 2333979234 LKGFCMLGXQHUAV-LCLLMFOLSA-N 263.337 0.979 10 10 CCCE O=C(N[C@@H](CC(F)F)C(=O)O)c1cccc(O)c1O 311480704 HPHOHBPGUGPEPG-LURJTMIESA-N 275.207 0.936 10 10 CCCE CCOCCS(=O)(=O)Nc1ccc(O)c(C(=O)O)c1 63153578 YCYXYWSYQSVMAG-UHFFFAOYSA-N 289.309 0.869 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC[C@@H](O)[C@@H]3CC[C@@H]32)cc1 2357029237 AALXKJYCFUVOTC-HZSPNIEDSA-N 296.392 0.944 10 10 CCCE NCc1cc(F)c(N2CC[C@@H]3C[C@H]2[C@@H](O)[C@H]3O)c(F)c1 2357593026 QXHRMLNBNQWKOF-SCLYENHESA-N 284.306 0.744 10 10 CCCE [N-]=[N+]=NCCCN[C@@]1(C(=O)O)CCN(C2CC2)C1 90258685 UAHPDEYZYLMFBZ-NSHDSACASA-N 253.306 0.968 10 10 CCCE NC(=O)C[C@H]1CCN(c2ccc3c(c2)NC(=O)[C@@H]3N)C1 723161702 VUPITPVIDMKEBV-AMIZOPFISA-N 274.324 0.340 10 10 CCCE CN1CCc2cc([C@H](N)[C@H](O)c3cn(C)nn3)ccc21 2163129930 CCYOODXFYNMWBV-UONOGXRCSA-N 273.340 0.541 10 10 CCCE C[C@H]1C[C@@H]1S(=O)(=O)N(CC(N)=O)Cc1ccc(N)cc1 2163667358 WMIQGBZGNXXNIZ-CABZTGNLSA-N 297.380 0.294 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC(=O)N[C@H]3CC[C@H]32)cc1 2168359057 IOUOZAHXYMDMOS-NWDGAFQWSA-N 295.364 0.061 10 10 CCCE COc1cc(C(=O)N[C@H](C)CC2CNC2)cc(OC)n1 2166940022 DVRKJLFTJJMUKT-SECBINFHSA-N 279.340 0.827 10 10 CCCE CCS(=O)(=O)c1cccc(C(=O)OCC(=O)C(C)=O)c1 808531941 CDLFHYNGUBSCGI-UHFFFAOYSA-N 298.316 0.795 10 10 CCCE COc1cccc(CNC(=O)[C@H]2CCN(C)C2)c1O 729858931 GWNAIRUFZODFGR-NSHDSACASA-N 264.325 0.969 10 10 CCCE CC[C@H](NC[C@@H](O)CS(C)(=O)=O)c1ccccc1O 927022518 DWYFOKTXSIJLED-PWSUYJOCSA-N 287.381 0.838 10 10 CCCE Nc1ccc(CCC(=O)NC[C@]23CNC[C@@H]2C3)cc1 1876448946 JOKRSJIWNRVOKT-WFASDCNBSA-N 259.353 0.927 10 10 CCCE NC[C@H]1CCC[C@@H]1NC(=O)COc1ccc(N)cc1 1876508700 GCJJFDNLDWFHCI-MFKMUULPSA-N 263.341 0.891 10 10 CCCE C[C@H]1CN2CCN1C[C@H]2C(=O)N1Cc2cccc(O)c2C1 1123947590 UONCCYJOLIYUGB-FZMZJTMJSA-N 287.363 0.623 10 10 CCCE C[C@H](NC(=O)[C@H]1COCCN1C)c1ccccc1O 1877572638 ZVURVTBLWPMDMJ-CMPLNLGQSA-N 264.325 0.900 10 10 CCCE C[C@H](NC(=O)CO[C@H]1CCNC1)c1ccccc1O 1877584903 BSCNPRLJJFPLHX-QWRGUYRKSA-N 264.325 0.948 10 10 CCCE NC[C@H]1COCC[C@@H]1NC(=O)c1cccc(O)c1O 1878792637 UKPCORODRYNGNH-WPRPVWTQSA-N 266.297 0.191 10 10 CCCE C[C@H]1CN(C(=O)c2cccc(O)c2O)CCN1CCO 790943394 KTAPDURPEVUVHF-JTQLQIEISA-N 280.324 0.236 10 10 CCCE CNC(=O)NCCNC(=O)/C=C/c1ccc(O)c(O)c1 1142850584 JVWKZHBWFVEUHI-HWKANZROSA-N 279.296 0.156 10 10 CCCE CCCN(C[C@@H](C)O)C(=O)c1cc(O)nc(O)c1 2259753744 WISFCPGVHPBAJV-MRVPVSSYSA-N 254.286 0.726 10 10 CCCE O=c1ccc([C@H]2NCCc3c2ccc(O)c3O)n[nH]1 75794313 PRQQTVDCXOOBSC-LBPRGKRZSA-N 259.265 0.416 10 10 CCCE COC(=O)CN1CCNc2cc3c(cc21)OCCO3 76895466 RAABHPQLMACYRW-UHFFFAOYSA-N 264.281 0.863 10 10 CCCE C[C@H]1C[C@H](CO)CN1C(=O)c1cccc(O)c1O 1964967567 YEXBUZJIHYPUPA-IUCAKERBSA-N 251.282 0.941 10 10 CCCE COCCn1nnnc1Sc1ncc(N)s1 706553810 RVRJUQLXTADGBX-UHFFFAOYSA-N 258.332 0.509 10 10 CCCE Nc1cc2c(cc1N1CCn3cnnc3C1)OCCO2 81134146 GLQARLIEIXZEPJ-UHFFFAOYSA-N 273.296 0.652 10 10 CCCE NC(=O)CC1CC(NS(=O)(=O)Cc2ccc(N)cc2)C1 718441920 XYFIHZCOPBZDKF-UHFFFAOYSA-N 297.380 0.342 10 10 CCCE O=C(NCCCN1CCC1)c1ccc(O)c(O)c1 697343300 BIDDKJZTKJOQCL-UHFFFAOYSA-N 250.298 0.923 10 10 CCCE C[C@H](NCc1cccc(Br)c1O)[C@@H](O)CO 698981043 YGPZHPODWARLDG-XVKPBYJWSA-N 290.157 0.986 10 10 CCCE CN[C@H](C)c1ccc(N2CC(=O)NC(=O)C2)cc1O 93671954 BQAYSLZVZBLDIY-MRVPVSSYSA-N 263.297 0.135 10 10 CCCE O=C(CCn1ccnn1)NCc1c(O)cccc1O 1456235893 PFFRJEAMDBFUSJ-UHFFFAOYSA-N 262.269 0.396 10 10 CCCE O=C(NCCCn1ccnc1)c1cc(O)c(O)c(O)c1 1865875816 JBSNSDCBNAMAHP-UHFFFAOYSA-N 277.280 0.820 10 10 CCCE [N-]=[N+]=NCCN[C@@]1(C(N)=O)CO[C@]2(CCCOC2)C1 2122414057 JKBOEHGFZYBBMX-GHMZBOCLSA-N 269.305 0.080 10 10 CCCE CN1CCN(c2ccc3c(c2)OCCO3)[C@H](CO)C1 217094287 GERUDHUZCGKFPG-LBPRGKRZSA-N 264.325 0.571 10 10 CCCE C[C@@H](NC(=O)C=Cc1ccc(N(C)C)cc1)[C@H](O)CO 1911970691 BXOJQUNHHMZYFP-BXUZGUMPSA-N 278.352 0.624 10 10 CCCE COC(=O)CCS(=O)(=O)N1CC[C@H](CN=[N+]=[N-])C1 1912181063 JNXQHGSPKLRIIV-MRVPVSSYSA-N 276.318 0.512 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)[C@H]2CCCN(C(N)=O)C2)C1 1912178141 LXALHCAYKMEHNV-UWVGGRQHSA-N 280.332 0.936 10 10 CCCE CN(CC1(O)CCOCC1)C(=O)c1ccc(O)c(O)c1 217750017 UZKUAEFIYXXYFA-UHFFFAOYSA-N 281.308 0.711 10 10 CCCE COc1ccc(N2C[C@@H](O)[C@H](O)CC2(C)C)c(N)c1 2132139114 XZUUTNBRAVOXIO-CHWSQXEVSA-N 266.341 0.988 10 10 CCCE C[C@@]1(O)CCN(C(=O)Nc2ccc(N)cc2)C[C@@H]1O 1893325815 QHXSKMFDKAPXJV-WCQYABFASA-N 265.313 0.618 10 10 CCCE c1cc2c(cc1N1CCN[C@H]3COC[C@H]31)COCC2 2132567564 ISMOESWSBOODFD-LSDHHAIUSA-N 260.337 0.936 10 10 CCCE CO[C@@H]1C[C@H]1CN(CC(N)=O)Cc1ccc(N)cc1 2131633186 DJDQMYLTZGCMHK-WCQYABFASA-N 263.341 0.591 10 10 CCCE NCc1ccc(N(CCO)C2COC2)c(F)c1F 1915535728 IDWZETQHJBJPER-UHFFFAOYSA-N 258.268 0.621 10 10 CCCE C[C@@H](c1cc(O)ccc1O)N1C[C@@H](O)C[C@H]1C(=O)O 2136108232 IBXSAVWETYWZAR-ARENWVFISA-N 267.281 0.679 10 10 CCCE CC[C@H]1C(=O)NCCN1c1cc2c(cc1N)OCCO2 110679850 WTGCOJRVSSVAAZ-JTQLQIEISA-N 277.324 0.755 10 10 CCCE CCN1CCN(c2ccc(CO)cc2[N+](=O)[O-])CC1=O 1970353537 WLDMRWLSTIOMLY-UHFFFAOYSA-N 279.296 0.756 10 10 CCCE CC(C)(CC(N)=O)NC(=O)[C@@H]1CNc2ccccc2N1 227069065 ORUXDTSPSDDLCH-NSHDSACASA-N 276.340 0.663 10 10 CCCE c1ccc2c(c1)N=S=C2c1nc(N2CCNCC2)no1 1968008033 PAKZCBCSVVATHV-UHFFFAOYSA-N 287.348 0.959 10 10 CCCE CC1(C)C[C@@H](N)CN1C(=O)c1cc(O)nc(O)c1 1927019221 KJIXWFXBGWXDNA-MRVPVSSYSA-N 251.286 0.445 10 10 CCCE CC(C)[C@H](NC(=O)CCc1ccc(N)cc1)C(N)=O 231031946 WDGMPASWKIGLLR-ZDUSSCGKSA-N 263.341 0.828 10 10 CCCE CNC(=O)[C@H](C)CN(C)c1cc2c(cc1N)OCCO2 234407823 OCYRVWVRGCPXCD-SECBINFHSA-N 279.340 0.858 10 10 CCCE CCOc1nc(NC(=O)c2cccc(O)c2O)n[nH]1 126649884 GHAXFNDQZCBFTJ-UHFFFAOYSA-N 264.241 0.867 10 10 CCCE N[C@@H](C(=O)O)[C@H](O)c1ccc(N2CCCC2)cc1 1951901528 GIINXIPXMYHAQL-VXGBXAGGSA-N 250.298 0.732 10 10 CCCE CCOC(=O)[C@H](N)[C@H](OC)c1cccc(O)c1O 1952307709 CQHZNEUUHPVPMN-MWLCHTKSSA-N 255.270 0.676 10 10 CCCE COC(=O)[C@@]1(c2cc(O)c(O)c(OC)c2)C[C@H]1N 1952829477 LQCKANSECGYMOH-BXKDBHETSA-N 253.254 0.248 10 10 CCCE CN[C@@H](c1ccccc1O)[C@]1(O)CCN(CCOC)C1 2148160735 JWMUOVDEJUUWSS-GJZGRUSLSA-N 280.368 0.736 10 10 CCCE CNCc1cc(F)c(N2CCO[C@H](CO)C2)c(F)c1 168217882 WUHSFAADHZMGEC-JTQLQIEISA-N 272.295 0.882 10 10 CCCE O=C(O)C(F)(F)C1(O)CN(Cc2ccc(F)cc2O)C1 1974212055 XWNXBJITHFYFSR-UHFFFAOYSA-N 291.225 0.798 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CCC[C@@H]1CNC1CC1 2145843960 QGSSAEIFIOQOCX-LLVKDONJSA-N 277.324 0.849 10 10 CCCE C[C@@H](C(=O)Nc1ccc(N)cc1)N(C)CC(=O)N(C)C 37269896 XYPVXLIVQLTJQQ-JTQLQIEISA-N 278.356 0.616 10 10 CCCE O=C1Nc2cc(N3CC4(CC(O)C4)C3)c(F)cc2[C@H]1O 2146329314 NCVGTAZIYGLEQK-GFCCVEGCSA-N 278.283 0.772 10 10 CCCE O=C(CN1CC[C@@H]2[C@@H](CO)[C@@H]2C1)c1ccc(O)c(O)c1 2149512382 JPTHEFKWDOELFS-QJPTWQEYSA-N 277.320 0.841 10 10 CCCE C[C@@H](OC(=O)COc1ccc(N)cc1)C(=O)N(C)C 41093722 JRAKOJDVDQFNFN-SECBINFHSA-N 266.297 0.668 10 10 CCCE Nc1cc2c(cc1N1CC[C@@]3(CCO3)C1)NC(=O)CO2 2153334626 OHNONQXXOJEKOX-CQSZACIVSA-N 275.308 0.969 10 10 CCCE CN(C)c1ccc([C@](C)(N)CS(C)(=O)=O)cc1 2003940420 WNRGCZYXANOUAT-GFCCVEGCSA-N 256.371 0.971 10 10 CCCE C[C@H](N[C@@H]1CN(C)C[C@H]1O)c1cc(O)ccc1O 2029868675 ZMSCOGVGGLDKGS-RLCGTCKNSA-N 252.314 0.423 10 10 CCCE Nc1ccc(O)c(CN2C[C@H]3OCCO[C@@H]3C2)c1 2032410351 FPYILWHPWFJGEQ-CHWSQXEVSA-N 250.298 0.574 10 10 CCCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)[C@H]2CNC(=O)C2)CC1 2037999341 FHMNEZXEJANKFP-RKDXNWHRSA-N 251.290 0.814 10 10 CCCE CN(CCCO)S(=O)(=O)Nc1ccc(O)c(F)c1 2040032032 HVOKBCNYNMMHOR-UHFFFAOYSA-N 278.305 0.502 10 10 CCCE O=C(O)[C@H]1[C@H]2C[C@H]1N(C(=O)c1cccc(O)c1O)C2 400211908 KBEKZSIOSQIALO-IONOHQLYSA-N 263.249 0.643 10 10 CCCE Cn1cnc(S(=O)(=O)N2CCC[C@H](N=[N+]=[N-])C2)c1 403651198 HTEJGGPMLHRRKS-QMMMGPOBSA-N 270.318 0.884 10 10 CCCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)CCSCC(N)=O)C1 701287720 XCOLQBQCFPLSDQ-MRVPVSSYSA-N 271.346 0.896 10 10 CCCE CN1N=C(C(=O)N2CCC[C@H](N=[N+]=[N-])C2)CCC1=O 706344303 RFKBLQNQSFBQBG-QMMMGPOBSA-N 264.289 0.896 10 10 CCCE COC(C)(C)COC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 379175860 NBTDQCQXOKMEEN-JTQLQIEISA-N 283.324 0.936 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1C[C@@H]2CCNC[C@@H]2C1 382264490 OCZCKRCDCPSHRL-WDEREUQCSA-N 262.309 0.779 10 10 CCCE O=C(N[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)O)c1cccc(O)c1O 2174234627 QIBQSHIAQVIRSF-QCLAVDOMSA-N 277.276 0.937 10 10 CCCE O=C(O)[C@H]1[C@H]2CN(C(=O)c3ccc(O)c(O)c3)CC[C@H]21 721239282 SLOIKCKBLUECER-VDDIYKPWSA-N 277.276 0.891 10 10 CCCE CNC(=O)NCCN[C@H](C)c1cc(O)ccc1O 397416087 ZGFOLSFVPADRIC-MRVPVSSYSA-N 253.302 0.677 10 10 CCCE NC(=O)c1c[nH]ccc1=NCc1cc(N)ccc1O 399040963 PZEUAHTVQONVPG-UHFFFAOYSA-N 258.281 0.502 10 10 CCCE Nc1ccc(CCCN2CC[C@](CO)(C(=O)O)C2)cc1 2179714765 ZTXOEJLLVVHIFM-HNNXBMFYSA-N 278.352 0.970 10 10 CCCE CS(=O)(=O)[C@H]1CCN(C(=O)CCc2ccc(N)cc2)C1 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C[C@@]1(C(N)=O)CCN(c2ccc(CO)c([N+](=O)[O-])c2)C1 2188572751 WATBKELPKCEJEL-CYBMUJFWSA-N 279.296 0.789 10 10 CCCE O=C(N[C@H]1C[C@H]2C[C@H]1C[C@@H]2O)c1cc(O)c(O)c(O)c1 2188875665 SNMGDCIQLWVXPI-MBLNEYKQSA-N 279.292 0.693 10 10 CCCE O=C(N[C@H]1C[C@H]2CNC[C@H]1C2)c1cc(O)c(O)c(O)c1 2188925296 UCSWOJNJPTVEBN-SFGNSQDASA-N 278.308 0.531 10 10 CCCE Cc1cc(N2CC[C@@H](O)C[C@H]2CO)ccc1CO 2080491059 BQABMPQDFHUSKK-UONOGXRCSA-N 251.326 0.809 10 10 CCCE NC[C@@H]1CO[C@H](CNC(=O)c2ccc(O)c(O)c2)C1 2101331236 ITEHYEQRMSTPMA-SCZZXKLOSA-N 266.297 0.191 10 10 CCCE Cc1cccc(CNC(=O)[C@H]2OCC[C@@H]2N)c1O 2084059819 YMXUTAVYGCVXSI-JQWIXIFHSA-N 250.298 0.433 10 10 CCCE Nc1ccc(CCCN2C[C@H]3C[C@H]2[C@H](O)[C@H]3O)cc1 2104415483 QKOIUNDSDODJBH-UNQGMJICSA-N 262.353 0.627 10 10 CCCE CS(=O)(=O)[C@H]1CCC[C@](NCCN=[N+]=[N-])(C(=O)O)C1 2104526915 AZTIUKLDZMTTPY-WCBMZHEXSA-N 290.345 0.697 10 10 CCCE C[C@@H]1[C@@H](N)CCCN1C(=O)Cc1ccc(O)c(O)c1 2087725459 VJRKQYWRVJADKO-KOLCDFICSA-N 264.325 0.979 10 10 CCCE 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[N-]=[N+]=NC1CN(C(=O)[C@@H]2[C@H](C(=O)O)[C@H]3CC[C@H]2O3)C1 2225793880 ANRQZCJGNMUETQ-LURQLKTLSA-N 266.257 0.386 10 10 CCCE CN(c1ccc(N)cc1)S(=O)(=O)CS(C)(=O)=O 129933279 WRFMRFLQNKISRK-UHFFFAOYSA-N 278.355 0.037 10 10 CCCE O=S(=O)(O)CNCc1cc(Cl)ccc1O 83385655 SXLFMHDIJHYGGR-UHFFFAOYSA-N 251.691 0.981 10 10 CCCE CN1CCCN(Cc2cc3c(cc2O)OCO3)CC1=O 191911491 VKFVQILWVDJMIV-UHFFFAOYSA-N 278.308 0.785 10 10 CCCE COc1cccc(CN2CCNC(=O)CC2)c1O 93101795 GBSMEQIYXKAVFL-UHFFFAOYSA-N 250.298 0.723 10 10 CCCE O=C1NC(=S)S[C@H]1CN1CCC[C@@H]1C(=O)O 247382236 JLPYSTMUCUWAME-RITPCOANSA-N 260.340 0.052 10 10 CCCE CN(CCC(N)=O)C(=O)[C@H]1CNc2ccccc2N1 382008471 ZAHOBUWGSFCDDT-LLVKDONJSA-N 262.313 0.226 10 10 CCCE CC(=O)C(=O)COC(=O)[C@H](C)NC(=O)C1CCCCC1 808507467 NGMYSIPEPPIFMZ-VIFPVBQESA-N 283.324 0.773 10 10 CCCE COC[C@@H]1C[C@H]1CNS(=O)(=O)Cc1ccc(N)cc1 2133503782 JCGOEMNQIFDPOR-RYUDHWBXSA-N 284.381 0.971 10 10 CCCE Cc1ccc(O)c(CN2CCO[C@H](CC(N)=O)C2)c1 862535507 PBKBQBNZPRXJMK-GFCCVEGCSA-N 264.325 0.777 10 10 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254.286 0.545 10 10 CCCE COc1cccc([C@@H](N)c2nnc(CO)o2)c1O 83384291 SWOMSICRKHSCGS-SECBINFHSA-N 251.242 0.324 10 10 CCCE Cc1ccc([C@H](C(=O)O)N2C(=O)C=CC2=O)c(O)c1 83443242 BPTSMPSQNHWSPK-GFCCVEGCSA-N 261.233 0.751 10 10 CCCE COc1ccc(CNCCN2CCOCC2)c(O)c1 40905803 UDKRAWPKFSDDRW-UHFFFAOYSA-N 266.341 0.823 10 10 CCCE CCOC[C@@H]1CN(C(=O)c2ccc(O)c(O)c2)CCO1 705824027 GQQOOIRNPDBRCJ-NSHDSACASA-N 281.308 0.975 10 10 CCCE CN1CCN(c2ccc(CN)c(F)c2)[C@@H](CO)C1 699478221 LRABDIYUGGGEHU-GFCCVEGCSA-N 253.321 0.397 10 10 CCCE CC(C)C[C@@H]1COC[C@]1(NCCN=[N+]=[N-])C(N)=O 716292709 OJYFFKYLJFJUFV-MWLCHTKSSA-N 255.322 0.803 10 10 CCCE CNCc1cc(F)c(N2CCN(C)C[C@H]2CO)c(F)c1 699451883 XDBMBMXQTKOYKR-NSHDSACASA-N 285.338 0.797 10 10 CCCE Nc1ccc(CC(=O)OC[C@H]2CCCS2(=O)=O)cc1 694391520 ZHFNXNJWUCFIPS-GFCCVEGCSA-N 283.349 0.932 10 10 CCCE O=C(CN(CCCO)CCCO)c1ccc(O)c(O)c1 1922179031 FZTRYAIUHQKKTM-UHFFFAOYSA-N 283.324 0.347 10 10 CCCE O=C(C[C@H]1COCCO1)NCc1ccccc1O 1916773249 DSSYNUFJSXXJQY-NSHDSACASA-N 251.282 0.814 10 10 CCCE O=C1CC[C@@H](C(=O)NCc2cccc(O)c2O)CCN1 1348045531 CSYMERSPYUIXQG-SECBINFHSA-N 278.308 0.630 10 10 CCCE CC1=NO[C@H](CNC(=O)Cc2ccc(O)c(O)c2)C1 1468250550 WLPGWTYWBYQXLI-JTQLQIEISA-N 264.281 0.921 10 10 CCCE O=C(NCCCc1nc(O)n[nH]1)c1c(F)ccc(O)c1O 1472518760 BCYFWCGEXHNQTC-UHFFFAOYSA-N 296.258 0.423 10 10 CCCE O=C(/C=C/c1ccc(O)c(O)c1)N1C[C@@H](CO)[C@@H](CO)C1 1636129256 CTHIMQNKOLZGSE-IOHUUBCKSA-N 293.319 0.170 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)c1cccn2nnnc12 1636022573 LIEGRJADISSRSG-UHFFFAOYSA-N 299.290 0.508 10 10 CCCE CCn1nncc1C(=O)NCc1ccc(O)cc1O 1570462228 KJKYXXHCFZLZKT-UHFFFAOYSA-N 262.269 0.639 10 10 CCCE [N-]=[N+]=N[C@@H]1CCN(CC(=O)N2CCC[C@@H](C(N)=O)C2)C1 1912193688 PVPKSYAEHZIWDP-NXEZZACHSA-N 280.332 0.095 10 10 CCCE CC1(C)C[C@H](O)[C@@H](O)CN1c1ccc(CN)cc1F 2132115219 IVJKMJMDYRCUTB-STQMWFEESA-N 268.332 0.995 10 10 CCCE C[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)C(=O)N(C)C 2132351611 YSUWAGFEFVORBG-ZCFIWIBFSA-N 268.269 0.010 10 10 CCCE Nc1ccc(CC(=O)NCC2COCCOC2)cc1 2131497726 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298.408 0.988 10 10 CCCE Cc1cc(CS(=O)(=O)NCc2cc(N)ccc2O)no1 36742795 IFHHYMGYXHTBAL-UHFFFAOYSA-N 297.336 0.890 10 10 CCCE Nc1ccc(OCCCN2C(=O)CCCS2(=O)=O)cc1 2145911584 ILKWUACOIJVMAI-UHFFFAOYSA-N 298.364 0.990 10 10 CCCE CN1CCc2cc([C@@H](O)C3(CN)CS(=O)(=O)C3)ccc21 2146097427 GQFNOPGZRCHDQK-CYBMUJFWSA-N 296.392 0.086 10 10 CCCE CN1C(=O)[C@H](O)c2ccc(N3CC4(CC(O)C4)C3)cc21 2146329581 PLHUYCOWACDRRV-CYBMUJFWSA-N 274.320 0.658 10 10 CCCE C[C@@]1(O)CCCN(S(=O)(=O)Cc2ccc(N)cc2)C1 162953556 PHPZSORNACZUJI-CYBMUJFWSA-N 284.381 0.945 10 10 CCCE CN1C(=O)C[C@H](N(Cc2ccc(N)cc2)C2CC2)C1=O 2152385400 VXIYJOYURFXDGI-ZDUSSCGKSA-N 273.336 0.991 10 10 CCCE CN(C)C(=O)C1(NC(=O)CCc2ccc(N)cc2)CC1 2159817113 UJBCYFUDVMZKSR-UHFFFAOYSA-N 275.352 0.938 10 10 CCCE COC[C@@H](C)N(C)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 48496693 JURQLDQLDXIZJT-KOLCDFICSA-N 282.340 0.461 10 10 CCCE NCc1ccc(N2C[C@H]3OCCO[C@@H]3C2)cc1F 2032410047 BWYWLTAPJSXMSA-CHWSQXEVSA-N 252.289 0.888 10 10 CCCE Nc1ccc(CS(=O)(=O)NCc2nncs2)cc1 2033507847 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CN1C[C@@H](NC(=O)[C@@H]2CNc3ccccc3N2)CC1=O 380700056 NPXLKLYQLRZMGP-CABZTGNLSA-N 274.324 0.240 10 10 CCCE COC[C@](C)(NC(=O)CCc1ccc(N)cc1)C(=O)O 392881325 NULCXLADSUGHSO-AWEZNQCLSA-N 280.324 0.807 10 10 CCCE Oc1ccc(CN[C@@H]2CCn3ncnc3C2)c(O)c1O 2165198605 UICMLKPLGYVHBL-SECBINFHSA-N 276.296 0.500 10 10 CCCE CCS(=O)(=O)NCCNC(=O)CCc1ccc(N)cc1 390344059 KLHDNGKJYBELPM-UHFFFAOYSA-N 299.396 0.257 10 10 CCCE N[C@H](CC1OCCO1)C(=O)NCc1ccccc1O 2062486134 HJXKCGFWXMPWJM-SNVBAGLBSA-N 266.297 0.099 10 10 CCCE Nc1ccc(CC(=O)N2CC(C(=O)NC3CC3)C2)cc1 2168051523 NQIZFWPAXQDGBG-UHFFFAOYSA-N 273.336 0.548 10 10 CCCE CC(C)N1C[C@@H](O)[C@H](N2CCc3cc(CN)ccc32)C1 2189917690 BOIFLKIXCXCBJO-HZPDHXFCSA-N 275.396 0.961 10 10 CCCE Cc1cc(N2CC[C@H]3OCC(=O)N[C@H]3C2)ccc1CO 2185523744 YNSBSNXVXNJKLX-UONOGXRCSA-N 276.336 0.581 10 10 CCCE OCCCOCCNCc1ccc(O)c(O)c1O 2042205507 ZWJLFCUJLPAGJG-UHFFFAOYSA-N 257.286 0.292 10 10 CCCE NCc1cc(F)c(N2C[C@@H](O)C[C@@H](O)C2)c(F)c1 2043135278 TVIDMBTYOQGULZ-DTORHVGOSA-N 258.268 0.355 10 10 CCCE Nc1cccc(C(=O)O)c1N[C@@H]1CCOC[C@H]1O 2046421707 JFXKLOSHLLJQFC-NXEZZACHSA-N 252.270 0.529 10 10 CCCE COc1ccc(O)c(CN[C@@H]2C[C@H](O)C[C@@H]2O)c1 2046491105 UONOAKXWTRAAGW-NDMJEZRESA-N 253.298 0.375 10 10 CCCE CNC[C@H](C)NC(=O)c1cc(OC)nc(OC)c1 2048060032 MLINZPCROVTCEG-QMMMGPOBSA-N 253.302 0.437 10 10 CCCE Nc1ccc(OCC(=O)N2CC[C@H]3CNC[C@H]3C2)cc1 2191708802 ZYHYIHWZLCBKGH-RYUDHWBXSA-N 275.352 0.716 10 10 CCCE C[C@H]1CN(C(=O)Cc2ccc(N)cc2)CC[S@@]1=O 2051911022 YVGHULXCOSVJDC-YPMLDQLKSA-N 266.366 0.791 10 10 CCCE Cn1nncc1S(=O)(=O)NCC1(CN=[N+]=[N-])CC1 2054026252 MEYIGJZGKFZVSS-UHFFFAOYSA-N 271.306 0.184 10 10 CCCE CC1(CO)CC(NC(=O)c2cccc(O)c2O)C1 2055636016 MMJDVSOLKDXARU-UHFFFAOYSA-N 251.282 0.989 10 10 CCCE CN1CCc2cc(CNCC(CO)CO)ccc21 2059269405 KCAMOCOEKVEDHL-UHFFFAOYSA-N 250.342 0.369 10 10 CCCE NC[C@@H]1C[C@@H](O)CN1c1ccc2c(c1)OCCO2 2060802255 MBNOFCRBJUJTTG-WDEREUQCSA-N 250.298 0.356 10 10 CCCE CN1CCCc2cc(CN3C[C@@H](O)C[C@@H]3CN)ccc21 2187588432 ZVDZXNYWLCWANO-CABCVRRESA-N 275.396 0.963 10 10 CCCE C[C@@H](NC(=O)[C@@H](O)C(C)(C)N)c1ccccc1O 2072485800 ISOWACGRNWFUMW-LDYMZIIASA-N 252.314 0.668 10 10 CCCE O=C(NCCO[C@H]1CC1(F)F)c1cc(O)c(O)c(O)c1 2188874396 GYZYWIZWCQQMNH-VIFPVBQESA-N 289.234 0.957 10 10 CCCE CCn1nnc([C@H](NCCCN=[N+]=[N-])C(=O)O)n1 2077196132 RKYXVWBIODLFGN-LURJTMIESA-N 254.254 0.109 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CCOCCOCC1 2103240014 ANDLXQWUAUNETP-UHFFFAOYSA-N 267.281 0.587 10 10 CCCE CN(C)C[C@H]1CCN1S(=O)(=O)Cc1ccc(N)cc1 2104586949 HAYURTXVBGJYEP-CYBMUJFWSA-N 283.397 0.735 10 10 CCCE C[C@H](c1ccc(F)cc1O)N1CC(=O)NC[C@@H]1C(=O)O 2201036559 GJWAIDCNEJLBBG-GMSGAONNSA-N 282.271 0.477 10 10 CCCE C[C@H](NC1CN(C2COC2)C1)c1c(O)cccc1O 2114713972 OAZFCDOFJAEPTB-VIFPVBQESA-N 264.325 0.831 10 10 CCCE CC(=O)c1ccc(O)c(CN2C[C@H]3C(C(N)=O)[C@@H]3C2)c1 2201293475 LGNZQUFMSRQDPH-VXGBXAGGSA-N 274.320 0.758 10 10 CCCE Oc1cc(F)ccc1CN[C@@H]1CCC[C@@H](O)[C@@H]1O 2217644210 YNQFCSOAMIIFHQ-NQBHXWOUSA-N 255.289 0.895 10 10 CCCE [N-]=[N+]=NCCCCN1C[C@@H]2C[C@H](C1)[C@@H](N)[C@H]2CO 2223105577 LQDWPNUNVHPVQS-WHOHXGKFSA-N 253.350 0.964 10 10 CCCE COc1cc(N2C[C@H](O)C[C@@H](O)C2)cc(OC)c1OC 2235136329 QDSRGWFZRHBGEM-GHMZBOCLSA-N 283.324 0.644 10 10 CCCE COc1ccc(N2CC(=O)NCC2(C)C)c(CO)c1 2227710332 DUGREYGKRMHOKE-UHFFFAOYSA-N 264.325 0.902 10 10 CCCE CSc1ncc(CNC(=O)[C@@H]2[C@@H]3NCCO[C@H]32)s1 2257014591 UFJARIRNXDREMB-VGMNWLOBSA-N 285.394 0.468 10 10 CCCE Oc1cccc(CN[C@H]2COC3(COC3)C2)c1O 2258420140 QVNDGLOOEUONCV-SNVBAGLBSA-N 251.282 0.745 10 10 CCCE CSc1ncc(CNC(=O)[C@@H](N)CC(=O)O)s1 2248610564 MHNWNDGDQHQDHS-LURJTMIESA-N 275.355 0.283 10 10 CCCE Cc1cc(N2C[C@H](O)[C@H](O)[C@H](CO)C2)ccc1[C@@H](C)O 2289482149 AHKNBRLHLCBXIN-FDRIWYBQSA-N 281.352 0.199 10 10 CCCE NC[C@@H]1CC[C@@H](C(=O)NCc2ccccc2O)CO1 2264667269 KDCCGXPDTYNPNE-NEPJUHHUSA-N 264.325 0.762 10 10 CCCE Cc1cc(N2C[C@H](O)[C@@H](O)[C@H]2CF)ccc1[C@@H](C)O 2269686256 GHZGTDUPRQGOIB-QQUHWDOBSA-N 269.316 0.928 10 10 CCCE CCN1C(=O)C(=Cc2cccn2C)C(=O)NC1=S 2296740251 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10 CCCE C[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)C[C@H]1C(=O)O 710498556 AHFSGGXHJPLABV-VXNVDRBHSA-N 280.280 0.676 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC[C@H]2CC[C@@H](O)[C@H]1C2 721561119 QHFWTZFQMMGMMT-FBIMIBRVSA-N 278.308 0.868 10 10 CCCE COc1cccc(CN2CCN(CCO)C[C@@H]2C)c1O 825338651 SKXYPKFLUHPLAS-LBPRGKRZSA-N 280.368 0.899 10 10 CCCE CN(C)c1ccc(/C=C/CNC(CO)CO)cc1 835040258 OOYMFAQKYZMAPJ-ONEGZZNKSA-N 250.342 0.709 10 10 CCCE CN(CCOCCN)c1cc2c(cc1N)OCCO2 1876385863 RQHWMROUJPDTSV-UHFFFAOYSA-N 267.329 0.452 10 10 CCCE CC[C@@H]1NCC[C@@H]1NC(=O)COc1ccc(N)cc1 1876519636 PEMCIXVUKSNYLR-STQMWFEESA-N 263.341 0.904 10 10 CCCE C[C@@H](N)[C@@H]1CCCN1C(=O)c1cc(O)c(O)c(O)c1 1879185787 TVWHOLUOBZWKAE-APPZFPTMSA-N 266.297 0.755 10 10 CCCE CCOC(=O)[C@H](C)NCc1ccc(O)c(O)c1O 83408794 LCXIQXWFQLXSIH-ZETCQYMHSA-N 255.270 0.845 10 10 CCCE OC[C@@H](CC(F)F)NCc1ccc(O)c(O)c1O 717768662 OPUJNCLUEPKAJP-SSDOTTSWSA-N 263.240 0.909 10 10 CCCE O=C1C[C@]2(CCN(C(=O)c3cccc(O)c3O)C2)CN1 790165349 WYOONKYHMCCXMF-CQSZACIVSA-N 276.292 0.450 10 10 CCCE CC1=NNC(=O)[C@@H]1CCNC(=O)c1cccc(O)c1O 1292970157 VAWCWTUTODBJRN-MRVPVSSYSA-N 277.280 0.340 10 10 CCCE CN1C[C@@H]2[C@H](CCN2C(=O)Cc2ccc(O)c(O)c2)C1 1468343238 LDKYCKPOSCOQTN-VXGBXAGGSA-N 276.336 0.803 10 10 CCCE NC(=O)c1ncccc1C(=O)NCc1ccc(O)c(O)c1 1465954196 NNWUJIKQZIJCQX-UHFFFAOYSA-N 287.275 0.522 10 10 CCCE O=C(/C=C/Cn1cncn1)NCc1ccc(O)cc1O 1557085108 BMMXAGJKSFTSAH-OWOJBTEDSA-N 274.280 0.562 10 10 CCCE CC1(C)OC[C@@H](NCc2ccc(O)c(O)c2O)[C@@H]1O 1911028700 ZIHQQNCHMQMFNB-PELKAZGASA-N 269.297 0.431 10 10 CCCE CC[C@@H](C)[C@@H](NC(=O)CN(C)CCN=[N+]=[N-])C(=O)OC 1912202325 FKEMLCSZVQEZQN-MWLCHTKSSA-N 285.348 0.932 10 10 CCCE OC[C@@H]1C[C@@H](CO)CN1c1ccc2c(c1)CC[C@@H]2O 2128324881 LKGFKMDECCSZBT-DGFSRKRXSA-N 263.337 0.846 10 10 CCCE COC(=O)C[C@H](O)CNCc1ccc2c(c1)CCO2 258722749 GKLMHNNCEHQRBH-LBPRGKRZSA-N 265.309 0.635 10 10 CCCE Nc1ccc(CCC(=O)N2CC[C@H](O)[C@H](O)C2)cc1 2132176271 PKJAUHUGWMOZIN-QWHCGFSZSA-N 264.325 0.156 10 10 CCCE 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[N-]=[N+]=N[C@H]1CCCN(CC2(O)CCS(=O)(=O)CC2)C1 2113346228 IFPDRNMJMXMGFX-JTQLQIEISA-N 288.373 0.701 10 10 CCCE Cc1cccc(CNS(=O)(=O)N2CCN[C@@H](C)C2)c1O 2204629200 HDFRYOHECDYNBK-NSHDSACASA-N 299.396 0.329 10 10 CCCE CCOC(=O)c1cccc(N)c1NC(CCN)CCN 2205693653 HJJQGDMGFIIBDI-UHFFFAOYSA-N 280.372 0.924 10 10 CCCE CS(=O)(=O)[C@@H]1COC[C@@H]1NCc1ccc2c(c1)CCO2 2207460869 RMXLMDMBZNNQHP-GXTWGEPZSA-N 297.376 0.523 10 10 CCCE Cc1cc([C@H](C)N)ccc1N(C)[C@H]1CC(=O)NC1=O 2232106394 LPKNVACRFZLNHU-CABZTGNLSA-N 261.325 0.866 10 10 CCCE C[C@]1(O)C[C@@H]2[C@H]1CCN2c1ccc2c(c1)NC(=O)[C@@H]2N 2233784663 ZZNKXZIFCJZQCG-OPQSFPLASA-N 273.336 0.988 10 10 CCCE O=C(N[C@@H]1C[C@@]12C[C@H]2C(=O)O)c1cc(O)c(O)c(O)c1 2283280011 LKQBDJUVNXGFJK-XVGMESBDSA-N 279.248 0.396 10 10 CCCE Cc1cc(NS(=O)(=O)C[C@@H](N)C(=O)O)c(C)cc1O 2270509420 BCFADRHNTLBVLB-MRVPVSSYSA-N 288.325 0.163 10 10 CCCE COC[C@@H]1[C@H](O)[C@H](O)CN1c1ccc(OC)c(C)c1C 2284598872 PEBAVUOIEIZTTF-NFAWXSAZSA-N 281.352 0.869 10 10 CCCE 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COc1cnc(C(=O)NCc2ccc(O)cc2O)nc1 1451770137 PDJYUEUYEBAOGX-UHFFFAOYSA-N 275.264 0.826 10 10 CCCE COc1ccc(CNC(=O)Cc2ncc[nH]2)c(O)c1 1617754088 YGOYEXIVRWVHES-UHFFFAOYSA-N 261.281 0.983 10 10 CCCE CN1CCc2c1cc(O)c1c2C[C@](N)(C(=O)O)CCO1 212298507 DAEOBIQFLCCLLV-AWEZNQCLSA-N 278.308 0.492 10 10 CCCE COC(=O)c1ccn(CC(=O)NCc2ccccc2O)n1 1566374169 WZZBYKPHZPRHPE-UHFFFAOYSA-N 289.291 0.692 10 10 CCCE [N-]=[N+]=NCC1CCN(C(=O)c2c[nH]c(=O)cn2)CC1 1912181703 QYVJBFAVFGDIIK-UHFFFAOYSA-N 262.273 0.932 10 10 CCCE CO[C@H]1CS(=O)(=O)C[C@H]1N1CCC(CN=[N+]=[N-])CC1 1912173354 LRIMLAKIFCEVCE-MNOVXSKESA-N 288.373 0.821 10 10 CCCE CN[C@@H]1CCc2cc(N(C)CC(CO)CO)ccc21 2128299086 STBIAZHVDHAYBF-OAHLLOKOSA-N 264.369 0.930 10 10 CCCE N[C@@H]1CCc2cc(N3CCCC3(CO)CO)ccc21 2128327928 KCSHQYDQZOOOGW-CQSZACIVSA-N 262.353 0.956 10 10 CCCE CC[S@](=O)CCNC(=O)Cc1ccc(N)cc1 156966692 PVSWDYGCZTZQTK-QGZVFWFLSA-N 254.355 0.696 10 10 CCCE OCC[C@H](CO)NCc1ccc2c(c1)CCCO2 258748284 OITVLYBMTHHZGN-CYBMUJFWSA-N 251.326 0.845 10 10 CCCE C[C@@H]1CN(C[C@@H](O)CO)c2cc3c(cc2N1)OCO3 251838495 QFVCTJSPXROYRQ-RKDXNWHRSA-N 266.297 0.389 10 10 CCCE O=[N+]([O-])c1cc(N2CC[C@H](O)[C@H](O)C2)ccc1CO 2132177955 SQJWYMSQTFNXEW-NWDGAFQWSA-N 268.269 0.019 10 10 CCCE O=C(NCC[C@@H]1CCC[C@H]1O)c1cc(O)nc(O)c1 1913756093 WFVRIEBEFRQERZ-WCBMZHEXSA-N 266.297 0.774 10 10 CCCE NC[C@@H]1[C@H]2C[C@@H]2CN1C(=O)c1cc(O)c(O)c(O)c1 1905547488 NDQOXQWLWLFIOW-HRDYMLBCSA-N 264.281 0.223 10 10 CCCE CCCNC(=O)[C@@H](C)NC(=O)c1ccc(O)c(O)c1 227013964 KYGQIWQKFXVBJF-MRVPVSSYSA-N 266.297 0.742 10 10 CCCE C[C@@]1(O)CN(c2ccc3c(c2)CC[C@H]3O)CC[C@H]1O 2136886106 LOEJVJGDIXRWMC-RBSFLKMASA-N 263.337 0.988 10 10 CCCE COc1cc(N2C[C@@H]3C(C(N)=O)[C@H]3C2)ccc1CN 2139682958 OTAAYHKUMRJXSH-QWRGUYRKSA-N 261.325 0.321 10 10 CCCE Cc1cccc(CNC(=O)[C@@H]2CO[C@H](C)CN2)c1O 2139742829 YAPGFPOPHWGPEA-PWSUYJOCSA-N 264.325 0.694 10 10 CCCE Cc1ccc(CN2CC[C@@](CO)(C(=O)O)C2)c(O)c1 2139765071 HHFTZSPSMSRJNG-CQSZACIVSA-N 265.309 0.970 10 10 CCCE C[C@@H]1CCC[C@]1(NC(=O)c1cc(O)nc(O)c1)C(=O)O 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10 CCCE Nc1ccc(-n2ccc(C(=O)N[C@@H]3CCNC3)n2)cc1 2191750647 YGEWYZKLAQBARK-LLVKDONJSA-N 271.324 0.546 10 10 CCCE CC1(CCNC(=O)c2cc(O)nc(O)c2)CNC1 2059322791 ANAFOXWIZAFRLT-UHFFFAOYSA-N 251.286 0.222 10 10 CCCE C[C@H]1CNC(=O)CN1c1ccc([C@@H](C)O)c(O)c1 2060843190 PXWPEHXUCIMLFJ-DTWKUNHWSA-N 250.298 0.770 10 10 CCCE C[C@H](O)[C@H]1C[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2068567120 OKMVKQUJIKDOJV-UIISKDMLSA-N 253.254 0.303 10 10 CCCE Cc1nsc(N(C)C(=O)C2=C[C@H](O)[C@@H](N)C2)c1C(=O)O 2188024518 ABZSRESWHKJUJU-YUMQZZPRSA-N 297.336 0.131 10 10 CCCE N[C@H]1CCSC[C@H]1NC(=O)c1cc(O)nc(O)c1 2077575892 VXNCIUIMMPEEMT-JGVFFNPUSA-N 269.326 0.055 10 10 CCCE CCC[C@]1(NC(=O)c2cc(O)nc(O)c2)CCNC1 2101356132 MUUYGAFSUOWRJW-ZDUSSCGKSA-N 265.313 0.755 10 10 CCCE O=C(NC[C@]1(F)C[C@@H](CO)C1)c1cccc(O)c1O 2112222918 MFVYXCJJAYARLW-KTLJEJPDSA-N 269.272 0.938 10 10 CCCE CN(CCn1cncn1)C(=O)Cc1ccc(N)cc1 2113772447 PLRPXBYZGCKIHJ-UHFFFAOYSA-N 259.313 0.561 10 10 CCCE Cc1cc(CN)ccc1N1CC[C@@H](C(CO)CO)C1 2114247166 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CN[C@@H](C)c1ccc(N2CCOC[C@@H]2C(N)=O)c(C)c1 2240821910 GMQJXNVVNUUIFL-SMDDNHRTSA-N 277.368 0.966 10 10 CCCE CSc1ncc(CNC(=O)c2cc(=N)[nH][nH]2)s1 2248610093 LPUBKZUEPDIGLG-UHFFFAOYSA-N 269.355 0.931 10 10 CCCE CC[C@@H]1[C@H](N)CCN1C(=O)c1cc(O)c(O)c(O)c1 2273238848 RQNKNPVLLAABCJ-RKDXNWHRSA-N 266.297 0.755 10 10 CCCE CN(CC(F)(F)C(=O)O)C(=O)c1cc(O)nc(O)c1 2277960830 MCTRCLAMQQPVLG-UHFFFAOYSA-N 276.195 0.285 10 10 CCCE C[C@@H](O)c1ccc(N2C[C@@H]3OC[C@@H](CO)O[C@@H]3C2)cc1 2279761113 OGHCVNHHKUFLAD-QPKOPYBWSA-N 279.336 0.705 10 10 CCCE COC[C@@H]1[C@@H](O)[C@@H](O)CN1c1ccc([C@@H](C)N)c(C)c1 2285126333 FWSGXBALPMQAGI-QPKOPYBWSA-N 280.368 0.572 10 10 CCCE CC(C)OCCOC(=O)[C@H](N)Cc1ccc(O)c(O)c1 48637975 STLGVUVWRQQRJB-LLVKDONJSA-N 283.324 0.936 10 10 CCCE O=C(O)[C@H]1[C@@H]2C[C@H]1CN2C(=O)c1cc(O)nc(O)c1 2333060057 DCJOATKCLSSWPY-MHYGZLNHSA-N 264.237 0.038 10 10 CCCE Cc1cc([C@H](C)O)ccc1N1C[C@@H]2C[C@H]1[C@@H](O)[C@@H]2O 2333979237 LKGFCMLGXQHUAV-RDEFGAFOSA-N 263.337 0.979 10 10 CCCE Cc1cc([C@H](C)O)ccc1N1C[C@@H](O)[C@@H](O)[C@@H]1CF 2333979339 RMNADBPUFWKSSW-WTDIUWLJSA-N 269.316 0.928 10 10 CCCE Cc1cc(N2C[C@@H](O)[C@@H](O)[C@H]2CF)ccc1[C@H](C)N 2334467795 BUNFFGMYYDJJNS-VKKKGTNTSA-N 268.332 0.895 10 10 CCCE COc1ccc(N2C[C@@H]3[C@H](C2)CS3(=O)=O)c(CN)c1 2336399520 HRZIXUMDJIONKN-ZWNOBZJWSA-N 282.365 0.387 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N(C)CC3(O)CC3)ccc21 2340181644 VZZHYBBCIGLPNR-GFCCVEGCSA-N 261.325 0.860 10 10 CCCE O=C(CN1CCC[C@H]1CO)c1ccc(O)c(O)c1 50150085 MWUXHVPSQVSYHW-JTQLQIEISA-N 251.282 0.737 10 10 CCCE COCCN(CCO)c1ccc(OC)cc1CN 2220415314 QNXCMAQSJAGOHI-UHFFFAOYSA-N 254.330 0.599 10 10 CCCE C[C@H](C(=O)Nc1ccc(N)cc1)N1CCC(C(N)=O)CC1 22162037 PILVBOYRKLNLRK-SNVBAGLBSA-N 290.367 0.793 10 10 CCCE CC(C)C[C@@H](CN)NC(=O)c1cc(O)nc(O)c1 111829422 FDAQBBFBNFHADW-VIFPVBQESA-N 253.302 0.596 10 10 CCCE CC1(C)[C@H]2C(=O)N(CC(=O)Nc3ccc(N)cc3)C(=O)[C@@H]21 114050271 XGFDNFCXZVHGGV-VXGBXAGGSA-N 287.319 0.848 10 10 CCCE COCCCNC(=O)CN(C)Cc1ccc(OC)cc1O 121463378 LMMKNOLTSOCVRH-UHFFFAOYSA-N 296.367 0.985 10 10 CCCE NC(=O)[C@@H](NC[C@H]1CCCO1)c1cc(F)ccc1O 236171415 AOGRTYUXHRUYLO-SKDRFNHKSA-N 268.288 0.826 10 10 CCCE C[C@@H]1OCC[C@H]1C(=O)N(CC(N)=O)Cc1ccc(N)cc1 94173831 JDDJIQQGYKBJHZ-GXFFZTMASA-N 291.351 0.508 10 10 CCCE C[C@@H](N[C@H]1CC(=O)N(C)C1)c1cc(O)ccc1O 386443462 QGNUWDMQKVOKEJ-BDAKNGLRSA-N 250.298 0.979 10 10 CCCE CNCc1ccc(N2CC(=O)NC(=O)[C@H]2C)cc1C 97295359 UUQDBIFDKWUQBB-SNVBAGLBSA-N 261.325 0.566 10 10 CCCE Cc1cc(O)c(CN2C[C@H](O)C[C@H]2CO)cc1C 364322810 GYMYQOJXYZWGIR-QWHCGFSZSA-N 251.326 0.937 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CCOCCC12COC2 2166110065 VLWHRKGAPAUDQG-UHFFFAOYSA-N 279.292 0.729 10 10 CCCE COc1ccc(N2CC(O)(CC(=O)O)C2)c([N+](=O)[O-])c1 2166992176 GLLSGBSZXSXAFM-UHFFFAOYSA-N 282.252 0.629 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CCC[C@]2(CCNC2)C1 2163330452 KFABUOWKMYYFQN-CQSZACIVSA-N 277.324 0.709 10 10 CCCE CN(c1ccc2c(c1)NC(=O)[C@@H]2N)C1(CCO)CC1 2133546147 OOMUJCWUWUSAMH-GFCCVEGCSA-N 261.325 0.990 10 10 CCCE Cn1nnc(C(=O)NCc2c(O)ccc3c2CCCC3)n1 878986758 XDHUQXOWDHZTJI-UHFFFAOYSA-N 287.323 0.725 10 10 CCCE COc1ccc(CNC(=O)[C@@H]2CSC(=O)N2)c(O)c1 794383952 UMJJTERHFOBQMI-VIFPVBQESA-N 282.321 0.842 10 10 CCCE O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1[C@H]2COC[C@H]21 794228609 WYITYUFNWMOGFG-BZEUFLOISA-N 261.277 0.872 10 10 CCCE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CC[C@@H](N=[N+]=[N-])C1 1885563498 VMBZQYXSRSHNEN-BDAKNGLRSA-N 299.331 0.783 10 10 CCCE COc1cccc(CN(C)C[C@H]2COCCN2)c1O 1964653262 LPAWGEUHDGTTLD-LBPRGKRZSA-N 266.341 0.821 10 10 CCCE NCc1ccc(N2CCC[C@@H](CO)[C@H]2CO)cc1 709802230 WDCVPFIBAUGUBN-GXTWGEPZSA-N 250.342 0.715 10 10 CCCE CN1CCc2c1cc(O)c1c2[C@@](O)(CN)CCCO1 212033222 QXTKNMNLCPZKRM-AWEZNQCLSA-N 264.325 0.703 10 10 CCCE O=C(O)C[C@@H]1C(=O)NN(c2ccccc2Cl)C1=O 106668776 GCHBBWJEEFGOAO-ZCFIWIBFSA-N 268.656 0.809 10 10 CCCE CC1(C)CNC(=O)[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 1557574094 CCTSXWPRGHQMQO-LBPRGKRZSA-N 278.308 0.281 10 10 CCCE O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H](O)c1cnc[nH]1 1638147337 CTEICGBLLNKFTI-OHVSUOQFSA-N 289.291 0.684 10 10 CCCE CCN1CC[C@@H]1C(=O)NCCc1ccc(O)c(O)c1 1566370356 XGHGSBBUUNOREG-LLVKDONJSA-N 264.325 0.851 10 10 CCCE COC[C@]1([C@H](NCCN=[N+]=[N-])C(N)=O)CCCCO1 1912147339 XIEKOWCDHWIBQC-KOLCDFICSA-N 271.321 0.326 10 10 CCCE CO[C@H]1CS(=O)(=O)C[C@@H]1N(C)CCCCN=[N+]=[N-] 1912182443 BQXWBTOZFCOUCH-UWVGGRQHSA-N 276.362 0.821 10 10 CCCE Nc1ccc(O)c(CN2C[C@@H]3C[C@H](C2)[C@@H](O)[C@@H]3O)c1 2126153536 QKMRUXZLQBMWOO-RDBQEKCUSA-N 264.325 0.148 10 10 CCCE CN1CC[C@@H](CNC(=O)Cc2ccc(N)cc2)C1=O 1967097799 AGOJKKDFFIPYHK-NSHDSACASA-N 261.325 0.406 10 10 CCCE COC[C@](C)(CO)NC(=O)Cc1ccc(O)c(O)c1 1648747027 RONAQEFXYCIYGA-ZDUSSCGKSA-N 269.297 0.154 10 10 CCCE CNCc1ccc(N2CCOC[C@H]2CO)c(F)c1 168329246 WWSUTIGKVLYWTC-LLVKDONJSA-N 254.305 0.743 10 10 CCCE C[C@H]([C@H](O)c1ccc2c(c1)CCN2C)N1CC(N)C1 2131764690 AUVAOQVWBQDUJB-BMIGLBTASA-N 261.369 0.744 10 10 CCCE N[C@H]1CC[C@H](C(=O)O)N(Cc2cc(F)ccc2O)C1 2132273777 NCEALODOJABNJE-WDEREUQCSA-N 268.288 0.908 10 10 CCCE C[C@@H](O)[C@@H](O)CNCc1ccc2c(c1)CCCO2 922308542 DLQPJRPXJFOLMK-MFKMUULPSA-N 251.326 0.843 10 10 CCCE C[C@@](O)(CNC(=O)c1cc(O)c(O)c(O)c1)C(F)F 2132351637 YXOXHCXQNJBENB-LLVKDONJSA-N 277.223 0.549 10 10 CCCE C[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)C[C@@H]1CO 2132348156 FQMMDMVQFWHGTI-VXNVDRBHSA-N 267.281 0.504 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3C[C@H]4C[C@@]4(CO)C3)ccc21 2136089918 NROWQQPJMNLORA-RGZBUGHASA-N 259.309 0.457 10 10 CCCE CNC(=O)[C@@H](C)CN(C)C(=O)c1ccc(O)c(O)c1 227037790 JAPICDYAIRKXNN-QMMMGPOBSA-N 266.297 0.552 10 10 CCCE CN(C)[C@@H]1COC[C@H]1NCc1cccc(F)c1O 1921751451 AVRXQXNNGZCSAC-VXGBXAGGSA-N 254.305 0.950 10 10 CCCE Nc1cc2c(cc1N1CCC[C@H](CO)C1)NC(=O)CO2 36227048 BREMNZOQPIJIIM-VIFPVBQESA-N 277.324 0.808 10 10 CCCE COCCN1C[C@H](Oc2ccc(N)cc2)[C@H](O)C1 2039270841 ANIJLZKAYUHHDY-OLZOCXBDSA-N 252.314 0.339 10 10 CCCE CSCCCNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 69444140 KOOPJUSCYDTNTE-JTQLQIEISA-N 284.381 0.837 10 10 CCCE NS(=O)(=O)CCCCNCc1cccc(O)c1O 310869447 PLVCGPKGHCTZRN-UHFFFAOYSA-N 274.342 0.256 10 10 CCCE O=[N+]([O-])c1cc(O)ccc1NS(=O)(=O)c1ncc[nH]1 311405083 AWOXJWQQBHKTHN-UHFFFAOYSA-N 284.253 0.824 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3CCC[C@@](F)(CO)C3)ccc21 2157521862 QHTMKDCVGOSWOQ-OCCSQVGLSA-N 279.315 0.939 10 10 CCCE CCNCc1ccc(N2C[C@@H](O)[C@@H](CO)C2)cc1 316980273 JIRVLHWDWMDHDM-TZMCWYRMSA-N 250.342 0.586 10 10 CCCE CN(c1cc2c(cc1Cl)[C@H](O)C(=O)N2)[C@@H]1COC[C@@H]1O 708734205 KKXSHCKOPNROSP-WOPDTQHZSA-N 298.726 0.521 10 10 CCCE CN(Cc1ccccc1O)S(=O)(=O)C1CNC1 722275588 OWLFBLMRULLMFI-UHFFFAOYSA-N 256.327 0.126 10 10 CCCE CC(C)N(C[C@@H](C)O)C(=O)c1cc(O)nc(O)c1 691501841 XSNKDADDVLBKLR-MRVPVSSYSA-N 254.286 0.724 10 10 CCCE C[C@@H]1C[C@@H](CO)CN(C(=O)c2cc(O)nc(O)c2)C1 398667483 QSMQDDSFCHFSBV-RKDXNWHRSA-N 266.297 0.583 10 10 CCCE CN(CC[S@](C)=O)c1cc2c(cc1N)OCC(=O)N2 398989524 NPAMIWXDXDKSAW-IBGZPJMESA-N 283.353 0.414 10 10 CCCE C[C@@H]1CCN(c2ccc(CO)c([N+](=O)[O-])c2)[C@@H]1C(N)=O 2188576185 MBUPPWYBWBPBOO-PELKAZGASA-N 279.296 0.787 10 10 CCCE C[C@H](NC(=O)c1cc(O)c(O)c(O)c1)[C@H]1C[C@@H]1C(=O)O 2188867994 KKJRDLHZEAOTER-ARDNSNSESA-N 281.264 0.642 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CC(n2cncn2)C1 2188874363 GOXKGQFEVUKACM-UHFFFAOYSA-N 276.252 0.092 10 10 CCCE C[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)C(=O)NC1CC1 2188867869 ILPUEZSEIHWHCL-ZCFIWIBFSA-N 280.280 0.200 10 10 CCCE C[C@H](O)C[C@@H]1COCCN1C(=O)c1cccc(O)c1O 1447512162 YSKXVYYXDXCUDP-VHSXEESVSA-N 281.308 0.710 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CCO[C@@H](CF)C1 2052006811 WMRYGRSVLFMSKO-VIFPVBQESA-N 255.245 0.908 10 10 CCCE O=C(CN1CC(F)(CO)C1)c1ccc(O)c(O)c1 2052710144 ALWIRLDTDGXMLI-UHFFFAOYSA-N 255.245 0.297 10 10 CCCE C[C@H]1CCN(c2cc3c(cc2N)OCC(=O)N3)CCN1 2191558176 FEHFYPUIFBBERP-VIFPVBQESA-N 276.340 0.788 10 10 CCCE CCNC1CN(S(=O)(=O)CCOc2ccc(N)cc2)C1 2191687764 CGXBFCXMGAXENR-UHFFFAOYSA-N 299.396 0.271 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@H]1CNC[C@H]1F 2057047483 UNZKQKDASFLEQQ-WDEREUQCSA-N 252.289 0.908 10 10 CCCE CC1(C)OCCO[C@H]1[C@@H](NCCN=[N+]=[N-])C(=O)O 2076658488 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CN1C(=O)[C@H](N)c2ccc(N3CCn4cnnc4C3)cc21 131400935 CULGCVZYVGFAJK-CYBMUJFWSA-N 284.323 0.275 10 10 CCCE C[C@H]1CN(Cc2cc3c(cc2O)OCO3)CCN1CCO 190240617 KRTQCQNFQYWLKI-NSHDSACASA-N 294.351 0.619 10 10 CCCE C[C@H](CS(C)(=O)=O)NC(=O)c1ccc(O)c(O)c1 227030132 GBBXMZGDZAUBFJ-SSDOTTSWSA-N 273.310 0.261 10 10 CCCE C[C@H](c1ccccc1O)N1CC[C@@](N)(C(=O)O)C1 229198759 GEBPYCXJWSUFPH-RNCFNFMXSA-N 250.298 0.941 10 10 CCCE CCNCc1ccc(N2C[C@@H](O)[C@H](O)C2)cc1Cl 233545640 KSLIJWWRSJUCAU-CHWSQXEVSA-N 270.760 0.991 10 10 CCCE COc1cc(C)c2c(c1)CN(C(=O)CN)CCN2C 527431128 UVQVEJWMPSJYPO-UHFFFAOYSA-N 263.341 0.741 10 10 CCCE COC(=O)CNC(=S)N(C(C)=O)c1ccc(N)cc1 244276915 WRUAZTKFOUECIT-UHFFFAOYSA-N 281.337 0.669 10 10 CCCE O=C(N[C@@H]1C[C@H](C(=O)O)[C@H]2C[C@@H]21)c1ccc(O)c(O)c1 2166187691 SZBIQLNKCMOFBR-AATLWQCWSA-N 277.276 0.937 10 10 CCCE CN(CC(=O)N(C)c1ccc(N)cc1)C[C@H]1C[C@@H](O)C1 703738896 OBLTYWPENQLKTQ-VDISTLRHSA-N 277.368 0.934 10 10 CCCE NC(=O)c1cccc(N)c1N[C@@H]1CCn2ccnc2C1 2165433476 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COc1cc(C)cc(CN2C[C@@H](O)C[C@@H](O)C2)c1O 894083191 CBCLCUAXKUKMKD-TXEJJXNPSA-N 267.325 0.637 10 10 CCCE CO[C@H]1C[C@@](CO)(NCc2ccc(O)c(O)c2O)C1 1899799499 GIFUFFORUUABAX-SWZMTVOYSA-N 269.297 0.433 10 10 CCCE C[C@H](c1cc(Cl)ccc1O)N(CC(N)=O)CC(N)=O 134024534 KWTOVUOVNKEGJU-SSDOTTSWSA-N 285.731 0.379 10 10 CCCE C[C@@H](C(=O)NCc1cc(O)ccc1O)S(C)(=O)=O 1153879113 FRIORAYZDWXGMR-ZETCQYMHSA-N 273.310 0.147 10 10 CCCE CCNC(=O)NCCNC(=O)Cc1ccc(O)c(O)c1 1159174956 NUKLUFZYROAJRH-UHFFFAOYSA-N 281.312 0.076 10 10 CCCE COC(=O)[C@H](NCCN=[N+]=[N-])[C@@H]1OCCOC1(C)C 1889139902 BTULSQKBXLZMDY-BDAKNGLRSA-N 272.305 0.622 10 10 CCCE C[C@@H]1CC[C@@H](CO)CN1C(=O)c1cc(O)nc(O)c1 688733239 YPFTZCKPEJETSZ-RKDXNWHRSA-N 266.297 0.726 10 10 CCCE C[C@@H](C(N)=O)N(C)CC(=O)c1ccc(O)c(O)c1 711057925 DNBBHRCXERUNKS-ZETCQYMHSA-N 252.270 0.086 10 10 CCCE Cn1ncc([C@H](NCCN=[N+]=[N-])C(N)=O)c1Cl 712408689 XZJRLPWWPBNLFR-LURJTMIESA-N 257.685 0.500 10 10 CCCE COC[C@](C)(CO)NCc1ccc(O)c(O)c1O 716885136 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COc1ccc(N(C)[C@@H]2COC[C@@H]2O)c([N+](=O)[O-])c1 709643280 MQLUKCVKXOPUND-NEPJUHHUSA-N 268.269 0.799 10 10 CCCE COC1(CNC(=O)c2ccc(O)c(O)c2)CCNCC1 380485849 XJFKZAUUJRRGGP-UHFFFAOYSA-N 280.324 0.596 10 10 CCCE COCC1(O)CN(c2ccc([C@@H](C)N)c(O)c2)C1 384182234 WNFBKNHDQFHLOH-SECBINFHSA-N 252.314 0.609 10 10 CCCE C[C@@H]1CN(C(=O)[C@H]2CNc3ccccc3N2)C[C@@H]1O 388072174 NTKOQTGRJHQTGV-WQAKAFBOSA-N 261.325 0.732 10 10 CCCE CCCOc1cc(N(C)C[C@@H](O)CN)ccc1N 2071626755 ITLLXGZAEOMSGB-NSHDSACASA-N 253.346 0.813 10 10 CCCE CNC(=O)CCCNC(=O)[C@H]1CNc2ccccc2N1 398363925 NTVZZXVNLZCOEW-GFCCVEGCSA-N 276.340 0.535 10 10 CCCE CN(CC[S@@](C)=O)c1ccc2c(c1)N(C)C(=O)[C@@H]2N 399025279 ODVKIGZZHXQECB-CWTRNNRKSA-N 281.381 0.478 10 10 CCCE CO[C@@H]1C[C@H](O)CN(c2ccc3c(c2)NC(=O)[C@@H]3N)C1 2165323101 PDVVGJIBUXELSS-OPQQBVKSSA-N 277.324 0.225 10 10 CCCE COCn1nccc1S(=O)(=O)Nc1ccc(O)cc1N 2174000986 GTZLJIYEYQXLFN-UHFFFAOYSA-N 298.324 0.576 10 10 CCCE CNC(=O)c1cn(Cc2cc(OC)ccc2O)nc1O 2070617208 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C[C@@H]1C[C@@]1(CNC(=O)c1cccc(O)c1O)C(=O)O 2101183754 QBLLMKATIOFMPV-UHLUBPPHSA-N 265.265 0.938 10 10 CCCE NC(=O)Cn1cc(NCc2c(O)cccc2F)cn1 2104507792 RQCINTZIAJDKHX-UHFFFAOYSA-N 264.260 0.825 10 10 CCCE CN(CCS(=O)(=O)CCC(=O)O)c1ccc(N)cc1 2106445826 YHDNYUXDSLDNFJ-UHFFFAOYSA-N 286.353 0.595 10 10 CCCE COc1ccc([C@H](C)N[C@@H]2C[C@H](O)C[C@H]2O)c(O)c1 2108797865 SOWPKSQVJCISQN-ONVGCPIPSA-N 267.325 0.936 10 10 CCCE Oc1ccc(CN[C@@H]2C[C@H]3C[C@H]2[C@@H](O)[C@H]3O)cc1O 2110104972 GBAMWRFQKPXFCB-FDACTJFASA-N 265.309 0.318 10 10 CCCE Cn1cc(CCNCc2ccc(O)c(O)c2O)nn1 2090668171 PGNAQUBBKMDRHL-UHFFFAOYSA-N 264.285 0.264 10 10 CCCE CC[C@@]1(O)CCN(c2ccc3c(c2)NC(=O)[C@@H]3N)C1 2094381159 XHGNNAGCDNQBNJ-TZMCWYRMSA-N 261.325 0.990 10 10 CCCE CNS(=O)(=O)CCN(C)C(=O)Nc1ccc(N)cc1 2094670831 GRFPEJZBOACREK-UHFFFAOYSA-N 286.357 0.282 10 10 CCCE O=S1(=O)CC2(CC(NCc3cccc(O)c3O)C2)C1 2095673036 LUSUENFEBMGKIY-UHFFFAOYSA-N 283.349 0.765 10 10 CCCE C[C@@]1(O)CN(CC(=O)Nc2ccc(N)cc2)CC[C@@H]1O 2201495344 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295.360 0.989 10 10 CCCE O=[N+]([O-])c1cc(N2C[C@@H](O)C[C@H](F)C2)ccc1CO 2226316292 CSJVCLQZLXMNFC-ONGXEEELSA-N 270.260 0.996 10 10 CCCE COc1ccc(N2CC3(C2)OC[C@@H](O)[C@@H]3O)cc1C 2226852453 YJWUFFPFHRHWQZ-YPMHNXCESA-N 265.309 0.314 10 10 CCCE Cc1cc(N2CC[C@H](O)[C@@H](O)C2)ccc1[C@H](C)O 2257479297 WZGDHQVQXZQYJD-BPNCWPANSA-N 251.326 0.980 10 10 CCCE COc1cc(OC)c(N(C)C[C@H](O)CN)cc1OC 2273722836 OJRKYHVTITXNPS-SECBINFHSA-N 270.329 0.468 10 10 CCCE C[C@]1(O)[C@H]2C[C@@H]1CN(C(=O)c1cc(O)c(O)c(O)c1)C2 2286210690 GFXMCTNTCCVPRJ-ICCCGROCSA-N 279.292 0.646 10 10 CCCE COc1cc(OC)c(N2C[C@H](O)C[C@@H]2CN)cc1OC 2289368044 VZZJRKGOSHZPHQ-NXEZZACHSA-N 282.340 0.611 10 10 CCCE NCc1ccc(N2CC([C@@H](O)CO)C2)cc1Cl 2300042275 OJPPQYQBNSNAOW-LBPRGKRZSA-N 256.733 0.588 10 10 CCCE N[C@@H]1CC[C@H]1S(=O)(=O)Nc1ccc(O)c(F)c1 2300757007 IVPVBORGPWRCAL-PSASIEDQSA-N 260.290 0.763 10 10 CCCE OC[C@@H](O)CCN1CCc2cc(O)c(O)cc2C1 2318660548 RSGKHNOAHTXWEF-NSHDSACASA-N 253.298 0.199 10 10 CCCE Nc1cccc(C(=O)O)c1N[C@H]1CO[C@@H]2COC[C@@H]21 2329416529 JRWBIQXIMQNZNC-DVVUODLYSA-N 264.281 0.793 10 10 CCCE CC(C)Oc1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)cc1 2333690219 UPKYFWCNTQOADJ-MJBXVCDLSA-N 267.325 0.377 10 10 CCCE N[C@@H]1C[C@H](O)[C@@H](N2CCc3cc(O)c(O)cc3C2)C1 2341211150 SNXJBCGTHUTVMX-SRVKXCTJSA-N 264.325 0.307 10 10 CCCE O=C(CN1CCc2cc(O)c(O)cc2C1)N1CCC1 2341215339 XEZGCWLJOOEERC-UHFFFAOYSA-N 262.309 0.688 10 10 CCCE CN(C(=O)CN1C(=O)NC(C)(C)C1=O)c1ccc(N)cc1 37273942 UTGAHXWQMVTAGC-UHFFFAOYSA-N 290.323 0.562 10 10 CCCE NCC[C@H]1CCN(C(=O)c2cccc(O)c2O)C1 125354079 JXPNYAVDMPLMCW-VIFPVBQESA-N 250.298 0.909 10 10 CCCE COc1ccc(N2CC[C@@](N)(C(=O)O)C2)c(F)c1F 2136984317 IHNHSQWHXKFGSG-LBPRGKRZSA-N 272.251 0.966 10 10 CCCE Oc1cccc(CNCCN2CCC(O)CC2)c1O 321435900 XQXRGVWNQMSRIW-UHFFFAOYSA-N 266.341 0.644 10 10 CCCE CN[C@@H](C)c1ccc(N2CC(=O)NC(=O)C2(C)C)cc1O 93671963 SWVBGEAHSFLSFP-VIFPVBQESA-N 291.351 0.914 10 10 CCCE N[C@@H]1CCC[C@H]1CNC(=O)c1ccc(O)c(O)c1 236298385 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COC(=O)C1CN(c2cc3c(cc2N)OCCO3)C1 1876671529 XONAZBDPWGRDQU-UHFFFAOYSA-N 264.281 0.649 10 10 CCCE NC(=O)c1csc(CNC(=O)c2cccc(O)c2O)n1 1300987859 CQGQXFNYCHMJDD-UHFFFAOYSA-N 293.304 0.583 10 10 CCCE O=C(NCC[C@H]1CCNC1=O)c1cccc(O)c1O 1887154356 UEQZZJWTCJBPMA-MRVPVSSYSA-N 264.281 0.354 10 10 CCCE CNC(=O)CN1C[C@H](C)Nc2cc3c(cc21)OCCO3 76928695 FDAAZTPTXFLLPC-VIFPVBQESA-N 277.324 0.824 10 10 CCCE COc1cccc(CNC(=O)NC[C@@H]2CNC(=O)C2)c1O 1230096946 JNRSIOVDTITFSC-VIFPVBQESA-N 293.323 0.336 10 10 CCCE O=C(NC[C@@H](O)CO)c1cc2cc(O)c(O)cc2s1 1179853201 BJXZDYFMMUSTSF-SSDOTTSWSA-N 283.305 0.396 10 10 CCCE CN1C[C@@H]2CN(S(=O)(=O)Cc3ccc(N)cc3)C[C@H]2C1 706980628 BNHAKPUARFAFOZ-CHWSQXEVSA-N 295.408 0.592 10 10 CCCE C[C@@H](CS(C)(=O)=O)N(C)C(=O)c1ccc(O)c(O)c1 688599034 PKJUMUNALURQBO-QMMMGPOBSA-N 287.337 0.603 10 10 CCCE O=C1COc2cc([N+](=O)[O-])c(N3CC[C@@H](O)C3)cc2N1 61707307 MXKWVFXGSAWFGG-SSDOTTSWSA-N 279.252 0.497 10 10 CCCE CN(C)C[C@H](O)CN(C)CCCOc1ccc(N)cc1 690220820 MJQHZJZILKCOEU-AWEZNQCLSA-N 281.400 0.892 10 10 CCCE [N-]=[N+]=NCCN[C@@]1(C(=O)O)C2CCN(CC2)C12CC2 716062322 XFTJBWFEPDUKCJ-GFCCVEGCSA-N 265.317 0.968 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CCS[C@H](CCO)C1 720017872 FAQYAEJHTUKAKM-SECBINFHSA-N 284.337 0.433 10 10 CCCE CNC(=O)[C@H](C)N(C)c1ccc2c(c1)NC(=O)[C@@H]2O 1916781335 SCRBCNYTGLLZTL-WRWORJQWSA-N 263.297 0.243 10 10 CCCE CNC(=O)[C@H](C)N(C)c1cc2c(cc1F)[C@H](O)C(=O)N2 1916786159 DIOUYPBTAXJFEJ-KGFZYKRKSA-N 281.287 0.382 10 10 CCCE CN1CCC[C@](O)(CC(=O)NCc2cccc(O)c2O)C1 1263895845 HZBPRDUKALLIDE-HNNXBMFYSA-N 294.351 0.561 10 10 CCCE COc1ccc(N2CC(=O)N[C@@H](CN)C2)cc1Cl 217239630 DAORSYHBRDLOME-QMMMGPOBSA-N 269.732 0.612 10 10 CCCE COc1cccc(CNC(=O)c2cn(C)c(O)n2)c1O 1545681821 DXFMNXHYQYNEAS-UHFFFAOYSA-N 277.280 0.770 10 10 CCCE O=C(c1cccc(O)c1O)N1CCC[C@@H]1[C@H](O)CO 2123158184 QBZCETKQLPOJDY-MWLCHTKSSA-N 267.281 0.056 10 10 CCCE CN1CCO[C@@H](C(=O)NCc2c(O)cccc2O)C1 1558533893 MOVWFINTOWLTRG-GFCCVEGCSA-N 266.297 0.045 10 10 CCCE N=C(O)OCCNC(=O)c1c(F)ccc(O)c1O 1641427390 BQWKUOOYGSVSAW-UHFFFAOYSA-N 258.205 0.476 10 10 CCCE O=C(NCc1c(O)cccc1O)c1ccc(O)nn1 1645360604 FHBWLIMMFNBRGV-UHFFFAOYSA-N 261.237 0.523 10 10 CCCE CC1(C)[C@@H](O)[C@@H](O)CN1C(=O)Cc1ccc(N)cc1 2124799188 GWSQMUCUSMCTAC-AAEUAGOBSA-N 264.325 0.154 10 10 CCCE CN(CCCN=[N+]=[N-])S(=O)(=O)N1CCC(O)CC1 1912158724 ZCLVCTDREDLDPJ-UHFFFAOYSA-N 277.350 0.320 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCN(CC(=O)NC[C@H]2CCCO2)C1 1912175627 NZKZZANRSGOXAN-WDEREUQCSA-N 267.333 0.914 10 10 CCCE NCC1CC2(CCN2C(=O)c2cc(O)nc(O)c2)C1 2125780567 HBYLECWDRIMMBX-UHFFFAOYSA-N 263.297 0.446 10 10 CCCE C[C@@H](CS(=O)(=O)NCCc1ccc(N)cc1)C(=O)O 2127092019 XWDMNCVIAPDUCZ-VIFPVBQESA-N 286.353 0.451 10 10 CCCE CN1CCN(c2ccc3c(c2)CC[C@@H]3O)[C@H](CO)C1 2128325808 XVPMFIFGWASSSA-ZFWWWQNUSA-N 262.353 0.779 10 10 CCCE NCCN(CC(=O)O)c1ccc2c(c1)OCCO2 259184567 BHKBATAACIOKRY-UHFFFAOYSA-N 252.270 0.308 10 10 CCCE O=C(N[C@@H](CCO)C1CC1)c1cc(O)c(O)c(O)c1 2132349090 YEZPGTOWQQZMLC-VIFPVBQESA-N 267.281 0.694 10 10 CCCE CC(C)(CO)CCNC(=O)c1cc(O)c(O)c(O)c1 2132348232 GYHJQVLOPIWVFM-UHFFFAOYSA-N 269.297 0.942 10 10 CCCE CO[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 227929397 NJANFWXEQGRFIU-CBAPKCEASA-N 283.280 0.245 10 10 CCCE CO[C@H](C)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 227929404 NJANFWXEQGRFIU-APPZFPTMSA-N 283.280 0.245 10 10 CCCE COc1cc(Cl)cc(CN2CCNC[C@@H]2C(N)=O)c1O 229104059 JHBUCJWRPSCVTM-SNVBAGLBSA-N 299.758 0.313 10 10 CCCE C[C@@]1(O)CN(CCOc2ccc(N)cc2)CC[C@H]1O 2136837129 WMVOJVXNYYHOEV-ZIAGYGMSSA-N 266.341 0.465 10 10 CCCE C[C@@H]1CN(C(=O)Nc2ccc(N)cc2)C[C@H](CO)O1 229972984 ZMKAPAWHPSDPSF-BXKDBHETSA-N 265.313 0.882 10 10 CCCE CNCc1ccc(N2CCCNC(=O)C2)cc1OC 2139690756 ZUOHINGPYXIKSL-UHFFFAOYSA-N 263.341 0.741 10 10 CCCE CN(C[C@H]1CNCCO1)C(=O)c1ccc(O)c(O)c1 234316515 YDMNSYFDLNXMNE-SNVBAGLBSA-N 266.297 0.158 10 10 CCCE O=C(O)C[C@H]1CS(=O)(=O)CCN1Cc1ccccc1O 126360924 GLFXCIBEZDSUJE-NSHDSACASA-N 299.348 0.466 10 10 CCCE CS(=O)(=O)C1CC(NCc2ccc(N)cc2)C1 1944075289 MLLGBCNWFLCQRW-UHFFFAOYSA-N 254.355 0.934 10 10 CCCE CNC(=O)[C@@H]1CNCCN1Cc1c(O)cccc1Cl 128339044 DYHDSLKGICRRMR-NSHDSACASA-N 283.759 0.565 10 10 CCCE CN(C)Cc1cc(CC[C@H](N)C(=O)O)ccc1O 1951703424 QGYAEVLWHNPUGE-NSHDSACASA-N 252.314 0.798 10 10 CCCE O=S1(=O)CC[C@H]1CNCc1ccc2c(c1)CCO2 1972339987 SDXIIXSWCKCFSI-LBPRGKRZSA-N 267.350 0.898 10 10 CCCE NCCO[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1 1972823980 HYSOWDOWHAQDEB-LLVKDONJSA-N 280.324 0.217 10 10 CCCE COc1ccc(Cn2ccc3c(c2=O)CNCC3)nn1 2150795021 GEZZXFMXEBQJTH-UHFFFAOYSA-N 272.308 0.341 10 10 CCCE Cc1ncc(S(=O)(=O)NCCc2ccc(O)c(O)c2)[nH]1 2148017168 UKFRDDYMPNNBLS-UHFFFAOYSA-N 297.336 0.650 10 10 CCCE CN(CCS(=O)(=O)N(C)C)C(=O)Cc1ccc(N)cc1 2151034044 VWSQZEIRFQOIHD-UHFFFAOYSA-N 299.396 0.161 10 10 CCCE Nc1ccc(CS(=O)(=O)NCC2(O)CC2)cc1 2013915873 PRXOZAOBRNHXOJ-UHFFFAOYSA-N 256.327 0.213 10 10 CCCE CC(=O)C(=O)[C@]1(O)CCS(=O)(=O)c2ccccc21 2030400539 OOOVVYOAJZZFIE-LBPRGKRZSA-N 268.290 0.210 10 10 CCCE CO[C@H]1CN(C(=O)COc2ccc(N)cc2)C[C@@H]1OC 300175118 GOHMHPSDQSUCKS-STQMWFEESA-N 280.324 0.520 10 10 CCCE N[C@@H]1COCC[C@@H]1C(=O)NCc1ccccc1O 2041109812 QBCXZMAQZNWAHL-WDEREUQCSA-N 250.298 0.372 10 10 CCCE Nc1ccc(OCCCN2CC[C@@](O)(CO)C2)cc1 313643962 DHOBOQJQAIPJRA-AWEZNQCLSA-N 266.341 0.467 10 10 CCCE NCc1ccc(N2C[C@H]3C[C@H]2CS3(=O)=O)c(F)c1F 321561075 HVGJZKCZWZHDJA-DTWKUNHWSA-N 288.319 0.799 10 10 CCCE C[C@]1(C(=O)NCc2ccccc2O)CNCCO1 710822150 NWZVIWMKRHFUDH-CYBMUJFWSA-N 250.298 0.387 10 10 CCCE CN1C(=O)N[C@@H]2CN(c3ccc(CN)cc3F)CC[C@H]21 2171304218 CTBGQHBHCFDVOG-DGCLKSJQSA-N 278.331 0.887 10 10 CCCE Nc1ccc(OCC(=O)N[C@H](CO)CC(F)F)cc1 717696080 GKXLQRADYJXOGF-VIFPVBQESA-N 274.267 0.780 10 10 CCCE NC(=O)CC1CC(NCc2ccc(O)c(O)c2)C1 718478436 SQITXSPAAFXCHY-UHFFFAOYSA-N 250.298 0.841 10 10 CCCE C[C@@H](O)C1CN(C(=O)CCOc2ccc(N)cc2)C1 719791636 GVGUXCBSXMCNNO-SNVBAGLBSA-N 264.325 0.877 10 10 CCCE C[C@H](NS(=O)(=O)Cc1ccc(N)cc1)C(C)(C)O 393963065 WTFWCVIACAHZIW-VIFPVBQESA-N 272.370 0.848 10 10 CCCE CNC(=O)NCCNCc1cc(OC)ccc1O 397404056 KKFMXSVQRMLXFM-UHFFFAOYSA-N 253.302 0.419 10 10 CCCE C[C@@H](O)C[C@@H](C)CNC(=O)c1cc(O)nc(O)c1 397643206 BOSAODASTLEFLT-HTQZYQBOSA-N 254.286 0.630 10 10 CCCE O=C(CNC(=O)c1ccc(O)c(O)c1)Nc1nccs1 2175477125 IUMWGCZWGWHFTJ-UHFFFAOYSA-N 293.304 0.923 10 10 CCCE NCc1ccc(N2C[C@H]3C[C@H]2CN3C(N)=O)c(F)c1F 2192281181 FMTQEEYHDMMCIT-DTWKUNHWSA-N 282.294 0.765 10 10 CCCE CNC(=O)OCCCNC(=O)c1cc(O)c(O)c(O)c1 2188921924 FBZDNYRHBCNXIS-UHFFFAOYSA-N 284.268 0.279 10 10 CCCE NC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2188913439 RVAGTLKIQQXLGL-SFYZADRCSA-N 280.280 0.187 10 10 CCCE CC(C)[C@H](NC(=O)c1cc(O)c(O)c(O)c1)C(=N)NO 2188915845 LLHAXPUJYHLSPR-VIFPVBQESA-N 283.284 0.514 10 10 CCCE CN(Cc1c(O)cccc1F)C[C@H]1COCCN1 2042628346 XIQNFMYVMZVMJF-JTQLQIEISA-N 254.305 0.952 10 10 CCCE CN(C[C@H](O)CCC(=O)O)c1ccc(CN)cc1 2044360077 VHKBHYYCOYMESW-GFCCVEGCSA-N 252.314 0.807 10 10 CCCE C[S@@](=O)CC1(C)CN(c2ccc3c(c2)NC(=O)[C@H]3O)C1 2186350713 DIHYBVZBYSFATF-FKIZINRSSA-N 294.376 0.877 10 10 CCCE C[C@@H]1CNCCCN1c1cc2c(cc1N)OCC(=O)N2 2191570694 ROLWBMNRURXDAN-SECBINFHSA-N 276.340 0.788 10 10 CCCE COC(=O)C1(N)CC(NC(=O)Nc2ccc(N)cc2)C1 2191503306 QAPIJJBGFKRQFC-UHFFFAOYSA-N 278.312 0.423 10 10 CCCE CN[C@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)C1 2068623664 IRCLWBZZTBRQOX-QMMMGPOBSA-N 252.270 0.237 10 10 CCCE C[C@@]1(O)CCN(Cc2ccc(N)cc2)C[C@@]1(C)O 2074158386 PYSHIKKYYRSIJE-ZIAGYGMSSA-N 250.342 0.977 10 10 CCCE C[C@@H](c1c(O)cccc1O)N1CCC[C@](O)(CN)C1 2101322699 UYTUIERFQUDVGJ-HZMBPMFUSA-N 266.341 0.944 10 10 CCCE COc1ccc(CN2C[C@H](N)[C@H]3COC[C@H]32)c(O)c1 2102143266 YPYLOJSPYLGKFB-FRRDWIJNSA-N 264.325 0.559 10 10 CCCE C[C@H](N)C[S@@](C)(=O)=NC(=O)Cc1ccc(O)c(O)c1 2104042690 AMALEBDYAUACMN-WPCRTTGESA-N 286.353 0.612 10 10 CCCE COC[C@@H](ON)C(=O)NCc1cccc(C)c1O 2084058459 HBMOGKAAONQAAG-SNVBAGLBSA-N 254.286 0.222 10 10 CCCE O=C(NCCC(F)(F)C(=O)O)c1cccc(O)c1O 2106643301 OFZKYSIGKUHNMY-UHFFFAOYSA-N 275.207 0.938 10 10 CCCE Nc1ccc(CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)cc1 2087318558 WLWKXTYTRWZQEP-PJXYFTJBSA-N 260.293 0.600 10 10 CCCE C[C@@H]1OCCO[C@H]1CNCc1ccc(O)c(O)c1O 2087424097 LEINERVUVKILPX-KWQFWETISA-N 269.297 0.697 10 10 CCCE C[C@@H](C(=O)Nc1ccc(N)cc1)N1CC=C[C@H](O)C1 2108771942 BPPIIHYIEUFEGC-GWCFXTLKSA-N 261.325 0.829 10 10 CCCE CO[C@H]1COC[C@H]1OC(=O)COc1ccc(N)cc1 2090598954 KARFFOZPFWEABX-NWDGAFQWSA-N 267.281 0.605 10 10 CCCE NC(=O)[C@@H](NC(=O)COc1ccc(N)cc1)C1CC1 2096477754 FASUNCGHLGKYGN-LBPRGKRZSA-N 263.297 0.028 10 10 CCCE CNCc1ccc(N2CC[C@](CO)(CCO)C2)cc1 2097024791 OELBSQVWKLNQBG-HNNXBMFYSA-N 264.369 0.977 10 10 CCCE CN1CCO[C@H]2CN(c3ccc(CN)c(F)c3)C[C@@H]21 2097704424 XVMMFAXZHOEDMS-KBPBESRZSA-N 265.332 0.804 10 10 CCCE Oc1ccc(F)cc1CNCC1CN(C2COC2)C1 2114707900 HUBDTTWHJAIMKD-UHFFFAOYSA-N 266.316 0.952 10 10 CCCE N=c1nnc(OCC2(N)CCCCCCC2)n[nH]1 2219018919 VNVIRGAWLMAVER-UHFFFAOYSA-N 252.322 0.500 10 10 CCCE COc1ccc(N2C[C@H](O)C[C@H]2CO)c(C=O)c1 2220425421 DFRUVVCDCBLHEZ-WDEREUQCSA-N 251.282 0.440 10 10 CCCE COC[C@@H]1[C@H](O)[C@H](O)CN1c1ccc([C@@H](C)N)cc1 2225702408 PYWOGWDNYGMTPF-JXJLXUTGSA-N 266.341 0.263 10 10 CCCE COc1ccc(N2C[C@@H](O)C[C@@]2(C)CO)c(CN)c1 2227683744 YTIJUIXAXBZCHF-FZMZJTMJSA-N 266.341 0.476 10 10 CCCE C[C@H](CNC(=O)Cc1ccc(N)cc1)[C@@]1(O)CCNC1 2238427421 WYFGLJJLQYQTNP-IAQYHMDHSA-N 277.368 0.288 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1[C@H]2CC[C@H](O)[C@H]1CC2 2229876968 RAPBCXATIOQZGO-BBBLOLIVSA-N 264.281 0.621 10 10 CCCE N[C@H]1C[C@H]2CC[C@H]1[C@@H](NC(=O)c1cc(O)nc(O)c1)C2 2241052831 WNFJNGULEJAKLL-SNXWAXQRSA-N 277.324 0.739 10 10 CCCE C[C@H](N)c1ccc(N2CC[C@H]2[C@@H](O)CO)c(F)c1 2258324445 DOHDOANFWPYDTF-HJIKLVIJSA-N 254.305 0.777 10 10 CCCE CO[C@H](CCN)C(=O)NCc1cnc(SC)s1 2248607418 GJLQRIXIECSFQL-MRVPVSSYSA-N 275.399 0.845 10 10 CCCE COc1ccc(N2CC[C@@H](O)[C@H](O)C2)c(OC)c1C 2278060841 GBRIHJIENVBRNF-VXGBXAGGSA-N 267.325 0.944 10 10 CCCE Cn1c(O)c(F)c(=O)n(CCc2ccc(N)cc2)c1=O 2280555291 UPCMVZJAKCTSPW-UHFFFAOYSA-N 279.271 0.217 10 10 CCCE COc1cc(OC)c(N2CC[C@@H](O)[C@H](O)C2)c(OC)c1 2287067715 DTRSCWRKDJKAQC-GHMZBOCLSA-N 283.324 0.644 10 10 CCCE CN[C@@H](C)c1ccc(N2CC[C@@H](O)[C@@H](O)C2)cc1 2310672949 YELMHKWCXKAROB-GDLCADMTSA-N 250.342 0.899 10 10 CCCE O=C(O)C[C@H]1C[C@H]1CNC(=O)c1cccc(O)c1O 2335891798 JHMIGSVGWBSICS-SFYZADRCSA-N 265.265 0.938 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N(C)CC3(O)CC3)ccc21 2340181646 VZZHYBBCIGLPNR-LBPRGKRZSA-N 261.325 0.860 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3C[C@@H]4C[C@H](CO)[C@@H]4C3)ccc21 2355423584 UFHHBKZMRQFYAI-LIMOIJHXSA-N 273.336 0.703 10 10 CCCE C[C@H](CNC(=O)c1ccc(O)c(O)c1)[S@@](C)=O 226999803 DTTDNBRDMCRSGH-IWEMQMMOSA-N 257.311 0.595 10 10 CCCE C[C@H](CO)N(C)C(=O)CCOc1ccc(N)cc1 122107428 LRXPHELBMTTXDT-SNVBAGLBSA-N 252.314 0.877 10 10 CCCE Nc1ccc(OCCC(=O)OCCN2CCOCC2)cc1 41100801 IFMKJEMDHFBOBC-UHFFFAOYSA-N 294.351 0.913 10 10 CCCE CC(C)S(=O)(=O)NC(=O)Cc1ccc(N)cc1 232987987 RZHNCJCSESGTMY-UHFFFAOYSA-N 256.327 0.666 10 10 CCCE Cc1nc(NCCc2ccc(N)cc2)cc2n[nH]c(=O)n12 90670418 FDKVPKRJEWWXRP-UHFFFAOYSA-N 284.323 0.963 10 10 CCCE NC(=O)COC(=O)/C=C\c1ccc(N2CCOCC2)cc1 255780098 XSQQKOHKYYJLRU-UTCJRWHESA-N 290.319 0.565 10 10 CCCE CC(=O)Nc1ccc(O)c(C(=O)OCC(=O)C(C)=O)c1 808507808 IDZRBAUMNHQGGF-UHFFFAOYSA-N 279.248 0.666 10 10 CCCE CC(=O)C(=O)COC(=O)c1cnn(-c2ccc(F)cc2)n1 808544191 LRRRUTPEYFIBOT-UHFFFAOYSA-N 291.238 0.721 10 10 CCCE CNC1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1 721626436 XCQODNWADYYIRY-FGWVZKOKSA-N 277.324 0.848 10 10 CCCE CC(=O)C(=O)COC(=O)c1cnn2c1C[C@@H](C)CC2 829592981 JVTQKJNKQMBTOH-QMMMGPOBSA-N 264.281 0.780 10 10 CCCE CN(C)c1ccc([C@@H](N)CNC(=O)Cc2cncnc2)cc1 832285583 SBQBHSYNTYCRGZ-HNNXBMFYSA-N 299.378 0.901 10 10 CCCE COc1cc(N)c(N2C[C@H](O)C[C@H]2CO)cc1OC 698114208 KCHGOSCMGCTKDH-DTWKUNHWSA-N 268.313 0.218 10 10 CCCE CCN(CC(=O)OC)CC(=O)N(C)c1ccc(N)cc1 692388573 GTFBYTDKZZQBBY-UHFFFAOYSA-N 279.340 0.727 10 10 CCCE Nc1ccc(NC(=O)N2CC[C@](N)(C(=O)O)C2)cc1 1876153879 ZVGMSVLKHHBFHA-GFCCVEGCSA-N 264.285 0.289 10 10 CCCE C[C@H](N)[C@@H]1CCN(S(=O)(=O)Cc2ccc(N)cc2)C1 1876530616 CHMWLNZBKDKEGZ-CMPLNLGQSA-N 283.397 0.768 10 10 CCCE NCCCOCCNC(=O)CCc1ccc(N)cc1 1876520840 YBXZPQLFUCFAMG-UHFFFAOYSA-N 265.357 0.683 10 10 CCCE Cn1cccc1C(=O)C(=O)NCc1c(O)cccc1O 1156886109 UGFNUXUUNQUYNG-UHFFFAOYSA-N 274.276 0.935 10 10 CCCE O=C(CC1CS(=O)(=O)C1)NCc1ccc(O)cc1O 1162278949 ONXZRDGKTVCGSP-UHFFFAOYSA-N 285.321 0.149 10 10 CCCE C[C@H]1NC(=O)CC[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 1963160665 NRYILJFOXQVVPY-SCZZXKLOSA-N 278.308 0.424 10 10 CCCE Cc1ccc([C@H](N)C(=O)NCCN(C)C)c(O)c1 83385202 BYUUXVKSXAVQQP-LBPRGKRZSA-N 251.330 0.378 10 10 CCCE Cc1cnc([C@H]2NCCc3ccc(O)c(O)c32)c[n+]1[O-] 83724383 IEAHQYVHVIYXDL-CYBMUJFWSA-N 273.292 0.670 10 10 CCCE O=C(Cn1ccccc1=O)NCc1c(O)cccc1O 1178904909 COPYHJUYKOVGEX-UHFFFAOYSA-N 274.276 0.576 10 10 CCCE Cn1nnnc1CCCNC(=O)NCc1ccccc1O 1251552472 OOGJZQAMIZOCOT-UHFFFAOYSA-N 290.327 0.348 10 10 CCCE COc1ccc(N2CCC(CO)(CO)C2)c([N+](=O)[O-])c1 694613158 IWIMNLWOJZHZIH-UHFFFAOYSA-N 282.296 0.785 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1C[C@H]2CNC[C@@H](C2)C1 718968580 RQSVDJJCQWDJJT-NXEZZACHSA-N 262.309 0.779 10 10 CCCE O=C(/C=C/c1ccc(O)c(O)c1)NCC(=O)N1CCCO1 1331769746 DTUHRZUIUSJWQD-HWKANZROSA-N 292.291 0.391 10 10 CCCE CN1CCN(C2CN(Cc3cc(N)ccc3O)C2)CC1 697952884 GVPKBTSAQPHOBZ-UHFFFAOYSA-N 276.384 0.406 10 10 CCCE C[C@@H]1CN(C(=O)COc2ccc(N)cc2)CC[S@]1=O 2115321023 HDENXGGCDPNEAL-GIGQVBGESA-N 282.365 0.627 10 10 CCCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](O)C(C)(C)O 1296245743 HAGGBEVEFLRFKE-PELKAZGASA-N 283.324 0.277 10 10 CCCE C[C@@H](CO[C@@H]1CCOC1)NC(=O)Cc1ccc(O)c(O)c1 1466010250 DUMKEIZVXUTYGG-CMPLNLGQSA-N 295.335 0.951 10 10 CCCE COC(=O)[C@H]1CN(C(C)=O)C[C@@H]1c1ccc(O)c(O)c1 1614807658 PSFVVWDJPRRKGT-MNOVXSKESA-N 279.292 0.833 10 10 CCCE CN1CC[C@@](C)(C(=O)NCc2c(O)cccc2O)C1=O 1639292744 OWAVPXVFYSJPES-AWEZNQCLSA-N 278.308 0.582 10 10 CCCE O=C(/C=C/CN1CCOCC1)NCc1cc(O)ccc1O 1637126461 ZLVRPMYFTSZJEI-OWOJBTEDSA-N 292.335 0.602 10 10 CCCE O=C(/C=C/Cn1cncn1)NCc1c(O)cccc1F 1646034169 IXUZEINJANIKSD-GORDUTHDSA-N 276.271 0.995 10 10 CCCE CCNC(=O)NC(=O)[C@H](C)N1CC[C@H](CN=[N+]=[N-])C1 1912210015 DWESWZDNGVLRER-DTWKUNHWSA-N 268.321 0.853 10 10 CCCE CN(Cc1nc[nH]n1)C(=O)c1c(F)ccc(O)c1O 1650969061 OEGZYEUTJONSLX-UHFFFAOYSA-N 266.232 0.627 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3CCC=C[C@H]3CO)ccc21 2125943169 STBIIPNMXRPWDX-GXFFZTMASA-N 259.309 0.766 10 10 CCCE C[C@@H](CS(=O)(=O)N(C)Cc1ccc(N)cc1)C(=O)O 2127084213 AVXKCXFRACCXJO-VIFPVBQESA-N 286.353 0.751 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3C[C@H]4COC[C@H]43)cc21 2129807988 HQSNVDTWFIWVDC-ZEGGKSINSA-N 259.309 0.498 10 10 CCCE C[C@H]1CN([C@H](C)C(N)=O)c2cc3c(cc2N1)OCO3 251922717 YBZBUXZNGISXRL-JGVFFNPUSA-N 263.297 0.910 10 10 CCCE Cc1cc2c(cc1N(C)[C@@H](CO)CCO)OCO2 258596974 AUMXREVUOZSLJC-SNVBAGLBSA-N 253.298 0.903 10 10 CCCE COc1cccc([C@@H](CN)N2CCN(C)CC2)c1O 32048164 SBYUJNCLRWXZGV-GFCCVEGCSA-N 265.357 0.648 10 10 CCCE CNCc1ccc(N2C[C@H]3COC[C@@H](C2)[C@H]3O)cc1 2132545407 VIHJMNQCZRKNPP-AGGWBTHJSA-N 262.353 0.850 10 10 CCCE O=C(N[C@H]1C[C@@H]([C@H](F)CO)C1)c1cccc(O)c1O 1906453603 PUMUWLKJUURNRW-KHQFGBGNSA-N 269.272 0.937 10 10 CCCE O=C(O)[C@@H]1[C@@H](O)[C@H](O)CN1Cc1cc(Cl)ccc1O 2136100487 HVMIXFRMKLYLHJ-VWYCJHECSA-N 287.699 0.036 10 10 CCCE Cc1cccc(CNS(=O)(=O)C[C@@H]2CCCN2)c1O 2139764225 PLAAFEHBOJHCTQ-LBPRGKRZSA-N 284.381 0.872 10 10 CCCE CN1CCO[C@H](CNC(=O)c2ccc(O)c(O)c2)C1 226985805 APJODXJKHSWHMY-SNVBAGLBSA-N 266.297 0.158 10 10 CCCE CN(C)[C@@H]1COC[C@@H]1Nc1c(N)cccc1C(=O)O 1922029422 IMDUACVFTFOXGV-WDEREUQCSA-N 265.313 0.708 10 10 CCCE C[C@H]1CNC[C@@H](NC(=O)c2cc(O)nc(O)c2)C1 1922771713 MVGBHGNQPPCUCM-APPZFPTMSA-N 251.286 0.221 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3CCNC(=O)C3)c(Cl)cc21 118587328 BPLVTKLDALCUOF-LLVKDONJSA-N 280.715 0.228 10 10 CCCE CN1CCCN(c2ccc3c(c2)NC(=O)[C@H]3N)CC1=O 228926261 SQMYSSKGVOSWCQ-ZDUSSCGKSA-N 274.324 0.307 10 10 CCCE CCOc1cccc(CN2CCNNCC2)c1O 1967983276 GJTKRTNYVCJVQJ-UHFFFAOYSA-N 251.330 0.701 10 10 CCCE O=C1CC[C@@H](NC(=O)[C@H]2CNc3ccccc3N2)CN1 229881356 GHEOVZGILJLRID-BXKDBHETSA-N 274.324 0.287 10 10 CCCE O=C(NN1CCOCC1)[C@@H]1CNc2ccccc2N1 229883677 ONJZRIDFXJUKNH-LBPRGKRZSA-N 262.313 0.256 10 10 CCCE Cn1cnc(CN(CC(N)=O)Cc2ccc(N)cc2)c1 2151451874 IUINGPQRXCOLHR-UHFFFAOYSA-N 273.340 0.490 10 10 CCCE O=[N+]([O-])c1cc(CO)ccc1N1CC[C@H](O)[C@H](F)C1 1971582471 ZFMRJUAZZMFYMC-SKDRFNHKSA-N 270.260 0.996 10 10 CCCE CCCN1CC[C@H]([C@H](O)Cc2ccc(N)cc2)S1(=O)=O 2145772631 WAMQGKCVNZCTTQ-ZIAGYGMSSA-N 298.408 0.986 10 10 CCCE CN[C@@H](C)c1ccc(N2CCCC2(CO)CO)cc1O 2146075323 BTDGKICKLNTGBY-NSHDSACASA-N 280.368 0.996 10 10 CCCE CCNCc1ccc(N(CC(N)=O)CC(N)=O)c(Cl)c1 164054818 RDUCAUMWRGBZSO-UHFFFAOYSA-N 298.774 0.227 10 10 CCCE N[C@H](CNC(=O)c1ccc(O)c(O)c1)C(F)(F)F 2029875560 HCSQYBYNLMBFBV-MRVPVSSYSA-N 264.203 0.717 10 10 CCCE C[C@@H]1CCN(C[C@H](O)COc2ccc(N)cc2)C[C@H]1O 299958340 UVWGGAVKQZJXFR-OSAQELSMSA-N 280.368 0.711 10 10 CCCE CCN(C(=O)[C@@H]1CCS1(=O)=O)c1ccc(N)cc1 2033312398 GREOTNMVZHHROE-NSHDSACASA-N 268.338 0.809 10 10 CCCE Nc1ccc(CCN2CC[C@H]3C(=O)NC(=O)[C@@H]3C2)cc1 2158780574 JALFUKYAYJQROM-CHWSQXEVSA-N 273.336 0.406 10 10 CCCE COCCN1C(=O)N[C@@H](Cc2ccc(O)c(O)c2)C1=O 2173025092 MGBJYKYNCFKQKO-VIFPVBQESA-N 280.280 0.207 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CCC([C@@H](F)CO)CC1 2163251016 JKQWQPKYGIPNOM-JTQLQIEISA-N 284.287 0.675 10 10 CCCE C[C@@H]1CN(CC(=O)N(C)c2ccc(N)cc2)C[C@@H]1CO 709396129 AFDMNBTYTQUBGK-VXGBXAGGSA-N 277.368 0.792 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CC(F)(F)CN1 375410827 MNOIWAYPHKTQDO-VIFPVBQESA-N 286.278 0.754 10 10 CCCE CN(C(=O)CN1C[C@@H]2C[C@H]2C1=O)c1ccc(N)cc1 715639096 FJAYVYJVHITNGA-JOYOIKCWSA-N 259.309 0.710 10 10 CCCE COC[C@@](C)(CN)NC(=O)c1cccc(O)c1O 716898887 IFPDMMWOLFUSJI-GFCCVEGCSA-N 254.286 0.191 10 10 CCCE C[C@@H]1C[C@@H](O)CN1S(=O)(=O)Cc1ccc(N)cc1 385054089 WOMMZGRFGNSYMU-BXKDBHETSA-N 270.354 0.554 10 10 CCCE CC[C@@H](O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 386758202 HXYBIVLHRFZNAC-DVVUODLYSA-N 282.340 0.243 10 10 CCCE C[C@H](N)c1ccc(N2C[C@H]3C(=O)NC(=O)[C@H]3C2)cc1O 387469181 SVUYXWFURRGKTM-BKDNQFJXSA-N 275.308 0.121 10 10 CCCE C[C@H]1NC(=O)CC[C@@H]1NC(=O)Cc1ccc(N)cc1 392895605 CQBNFEATDXBOSL-SKDRFNHKSA-N 261.325 0.595 10 10 CCCE Cc1cc(N2CCC[C@@](O)(C(N)=O)C2)ccc1CN 394061609 ZKEINNHFDWYVPQ-AWEZNQCLSA-N 263.341 0.270 10 10 CCCE Cc1cc(O)n2ncc(C(=O)N3C[C@@H](C)OC[C@@H]3C)c2n1 2062606486 MFLMJXUNFOZODH-VHSXEESVSA-N 290.323 0.993 10 10 CCCE NC[C@@H]1CN(c2nnc(O)nc2O)Cc2ccccc21 2176214817 AQQZXEXNPDMSTF-SECBINFHSA-N 273.296 0.345 10 10 CCCE CNCCN(C)S(=O)(=O)Nc1ccc(O)c(F)c1 2042214567 DUXKFERGLSKKOQ-UHFFFAOYSA-N 277.321 0.339 10 10 CCCE Cc1cccc(O)c1CN1CCOC[C@H]1C(=O)O 2042626284 NNZMVAWUAQBQAF-NSHDSACASA-N 251.282 0.986 10 10 CCCE NCCCCNC(=O)c1ccn(-c2ccc(N)cc2)n1 2191649697 HUYKNMSDQGLITE-UHFFFAOYSA-N 273.340 0.923 10 10 CCCE Cc1c(S(=O)(=O)NCc2ccccc2O)c(=N)[nH]n1C 2191704022 LYSBCHPLBCQLBS-UHFFFAOYSA-N 296.352 0.325 10 10 CCCE CNCc1ccc(N2CCC[C@H]2[C@@H](O)CO)cc1 2059269841 OQGWBTVVJGUBDW-KBPBESRZSA-N 250.342 0.728 10 10 CCCE C[C@H](c1ccccc1O)N(C)C(=O)C(=O)NCC(N)=S 2192594174 NZRNSZSLWRKPLI-MRVPVSSYSA-N 295.364 0.314 10 10 CCCE COc1ccc(N2C[C@@H](O)CC23CNC3)c(F)c1 2066535477 SEVCXCFNCKWWOM-VIFPVBQESA-N 252.289 0.747 10 10 CCCE CCNCCN(C)C(=O)c1cc(O)c(O)c(O)c1 2068625564 ZCJSMWUPFJCDTI-UHFFFAOYSA-N 254.286 0.485 10 10 CCCE CN(CC1(N)CC1)C(=O)c1cc(O)c(O)c(O)c1 2068622521 YBAQMCVDPCRUAA-UHFFFAOYSA-N 252.270 0.367 10 10 CCCE C[C@@H](C(N)=S)S(=O)(=O)N(C)Cc1ccccc1O 2072451713 ZUFPPUORMQEINZ-QMMMGPOBSA-N 288.394 0.828 10 10 CCCE NCc1cc(NC(=O)c2cc(O)c(O)c(O)c2)ccn1 2188908667 FBAIEVXPNBMHFZ-UHFFFAOYSA-N 275.264 0.909 10 10 CCCE Nc1ccc(CN2CCC[C@@](O)(C(=O)O)C2)cc1 2076925728 PBKLOBWYMLALHB-ZDUSSCGKSA-N 250.298 0.680 10 10 CCCE COc1ccc(N2CC[C@@H]3C(=O)NC[C@@H]3C2)c(N)c1 2100944445 NJUUSPLIWARDPZ-KOLCDFICSA-N 261.325 0.850 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3CC(C)(CO)C3)ccc21 2101058794 DLZHNGXBYKMRBU-LBPRGKRZSA-N 261.325 0.718 10 10 CCCE Cc1cccc(CNC(=O)CC[C@H](O)CN)c1O 2084055809 AIOPNRXQMVKTHY-NSHDSACASA-N 252.314 0.417 10 10 CCCE Nc1ccc(CNS(=O)(=O)[C@H]2C[C@@H](C(=O)O)C2)cc1 2106173396 NQTMKVNELDKPRB-JGZJWPJOSA-N 284.337 0.551 10 10 CCCE CN(C)c1ccc([C@H](N)C2(O)CC(C(=O)O)C2)cc1 2106861519 ZTKPUOYBOKYDTP-KHJSKFAYSA-N 264.325 0.978 10 10 CCCE O=[N+]([O-])c1cc(CO)ccc1N1CC([C@H](F)CO)C1 2110579853 PEHGMHMFNACHSJ-SNVBAGLBSA-N 270.260 0.854 10 10 CCCE Cc1cc(N(C)CCN(C)S(C)(=O)=O)ccc1CN 2090795418 RIRVRLBQADKSDE-UHFFFAOYSA-N 285.413 0.781 10 10 CCCE O=C(NC[C@H]1CC2(CC2)CN1)c1ccc(O)c(O)c1 2096542442 MYCXKNPRQSKNRU-SNVBAGLBSA-N 262.309 0.970 10 10 CCCE C[C@H](O)CN1CCN(c2ccc(CN)cc2F)CC1 2113859668 UWGWIUKLSQUTPI-NSHDSACASA-N 267.348 0.787 10 10 CCCE COc1cc(N2CC[C@@H]3C(=O)NC[C@H]3C2)ccc1CO 2204550003 MDPMVLXHRGWADU-AAEUAGOBSA-N 276.336 0.760 10 10 CCCE Cc1cccc(CNC(=O)[C@]23CNC[C@H]2CCO3)c1O 2204607108 WMGZBTOMAJAGCR-DOMZBBRYSA-N 276.336 0.695 10 10 CCCE Nc1ccc(OCCCN2C[C@H](O)[C@H](O)[C@@H]2CF)cc1 2205599102 IXLQBPAFKGNTOB-MELADBBJSA-N 284.331 0.413 10 10 CCCE COc1ccc(N2C[C@H](O)C[C@@H]2CO)c(OC)c1 2219648341 YVPZVSBVBZWQIK-NXEZZACHSA-N 253.298 0.636 10 10 CCCE O=C(c1cccc(O)c1O)N1CC[C@@H]2[C@@H](O)C[C@H]2C1 2224586233 UIHZINMSPHKEHF-AUTRQRHGSA-N 263.293 0.941 10 10 CCCE COc1ccc(N2CC[C@@](C)(O)[C@@H](O)C2)c(C=O)c1 2227693685 ZNIBIWZTVNGJQY-UONOGXRCSA-N 265.309 0.830 10 10 CCCE C[C@@]1(CO)C=CCN1CC(=O)Nc1ccc(N)cc1 2228874785 GNUSVRLNROYTSG-AWEZNQCLSA-N 261.325 0.830 10 10 CCCE CN[C@H](C)c1ccc(N2CC(OC)(C(N)=O)C2)c(C)c1 2240739242 LCRZCLYIEKQKKU-LLVKDONJSA-N 277.368 0.966 10 10 CCCE Cc1cc(N2CCOC[C@@H]2[C@H](O)CO)ccc1[C@@H](C)O 2285176472 ORYCABIOBDIOLR-KCPJHIHWSA-N 281.352 0.607 10 10 CCCE O[C@H]1CN(c2ccc(OCF)cc2)C2(CNC2)C1 2263942061 XBJNWLHNNWUMFD-LLVKDONJSA-N 252.289 0.905 10 10 CCCE O=C(N[C@@H]1CCNCC1(F)F)c1ccc(O)c(O)c1 2264442478 OAFHGIORRLGIOQ-SNVBAGLBSA-N 272.251 0.825 10 10 CCCE C[C@@H](NCC1(O)CS(=O)(=O)C1)c1cc(F)ccc1O 2267901416 NKXSMYAXYBFNLB-MRVPVSSYSA-N 289.328 0.341 10 10 CCCE Cc1nn(C)nc1[C@H](N)[C@@H](O)c1ccc(N(C)C)cc1 2290306396 RQIFJKOJQICNTK-JSGCOSHPSA-N 275.356 0.923 10 10 CCCE Cn1nccc1[C@@H](O)c1ccc(N2CCNCC2)cc1 2286070757 DMPMAVKPALFFLQ-HNNXBMFYSA-N 272.352 0.911 10 10 CCCE CO[C@H]1C[C@@H]2C[C@@](NCCCN=[N+]=[N-])(C(N)=O)C[C@@H]21 2331953999 QHLAULKCIDXPKW-WDCWCFNPSA-N 267.333 0.945 10 10 CCCE O=[N+]([O-])c1cc(N2C[C@H]3C[C@H]3[C@H]2CO)ccc1CO 2332564808 ZDYHQAFRZISUFA-IRUJWGPZSA-N 264.281 0.904 10 10 CCCE Cc1cc([C@H](C)O)ccc1N1C[C@@H]2C[C@H]1[C@H](O)[C@@H]2O 2333979236 LKGFCMLGXQHUAV-QMAWVXKPSA-N 263.337 0.979 10 10 CCCE N[C@H]1[C@H]2C[C@H](CN(Cc3ccccc3O)C2)[C@H]1CO 2333917308 BAVWJSBGLMVEGV-COMQUAJESA-N 262.353 0.780 10 10 CCCE [N-]=[N+]=NC1CCN(C(=O)[C@H]2COC[C@H]2C(=O)O)CC1 2338347961 NKLOFFIPILYOCU-DTWKUNHWSA-N 268.273 0.635 10 10 CCCE CCOCCC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 53732817 QYCLKJOTWATZJZ-JTQLQIEISA-N 297.307 0.636 10 10 CCCE COc1ccc(CN2CCN(C)[C@@H](CCO)C2)c(O)c1 20452823 UZWSPRJECGKXOB-ZDUSSCGKSA-N 280.368 0.899 10 10 CCCE Nc1cc2c(cc1N1C[C@H]3CC[C@@H]1[C@H]3N)NC(=O)CO2 2357176086 HOXXNAURUUJFKH-LXORQNMDSA-N 274.324 0.526 10 10 CCCE CCN[C@H]1C(=O)Nc2cc(N3CCNC(=O)CC3)ccc21 62101100 VYKXHDMKYNZAHG-CQSZACIVSA-N 288.351 0.616 10 10 CCCE CC(=O)N[C@@H]1CCN(C[C@@H](O)COc2ccc(N)cc2)C1 228245401 BQQVDLCUDSPGBU-ZIAGYGMSSA-N 293.367 0.219 10 10 CCCE C[C@H](CS(C)(=O)=O)NCc1cccc(O)c1O 81902477 FTACGHNYNOQXFO-MRVPVSSYSA-N 259.327 0.621 10 10 CCCE CNC(=O)C(C)(C)CNC(=O)COc1ccc(N)cc1 230381585 GUKXEKCTPDHLQS-UHFFFAOYSA-N 279.340 0.536 10 10 CCCE C[C@](O)(CO)CNC(=O)CCc1ccc(N)cc1 90283846 PSUVYDLNHLPFFS-CYBMUJFWSA-N 252.314 0.061 10 10 CCCE Nc1ccc(O)c(CN2CCCS(=O)(=O)CC2)c1 236365122 RIIJYVHUEWEZMH-UHFFFAOYSA-N 270.354 0.595 10 10 CCCE CNCc1cc(F)c(N2CCN3C(=O)NC[C@H]3C2)c(F)c1 91754459 WNALGAXXWVBPBA-JTQLQIEISA-N 296.321 0.898 10 10 CCCE N[C@@H](C(=O)O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1 250004372 DMBFVRUHLQEDKH-TVQRCGJNSA-N 278.308 0.696 10 10 CCCE Cc1ccc(C(=O)N2CCS(=O)(=O)[C@@H](C)C2)c(O)c1O 272776088 UAXSLZWKMAGCDF-VIFPVBQESA-N 299.348 0.665 10 10 CCCE CN(C(=O)c1ccc(O)c(O)c1)[C@H]1C[C@@H](C(N)=O)C1 704330764 GHTIFPFEDUSMFW-DTORHVGOSA-N 264.281 0.434 10 10 CCCE Nc1ccc(CC(=O)NCC2(O)CC(C(=O)O)C2)cc1 2166538262 KGRBHRTTWLLUBR-UHFFFAOYSA-N 278.308 0.153 10 10 CCCE Cc1cc(CN2CC[C@](O)(C(N)=O)C2)ccc1N(C)C 294768297 YXWARIPDLYNCDE-OAHLLOKOSA-N 277.368 0.483 10 10 CCCE CCNC(=O)CN(C)c1ccc2c(c1)NC(=O)[C@@H]2NC 723165633 FJWJQOZOCFSALX-CYBMUJFWSA-N 276.340 0.472 10 10 CCCE CN(C)c1ccc(/C=C\CN2CCO[C@H](C(N)=O)C2)cc1 835028095 PFJNSWDHAISEJV-JZIMQPMSSA-N 289.379 0.952 10 10 CCCE CO[C@@](C)(CO)CNC(=O)NCc1ccc(N(C)C)cc1 847276864 MUYIVNXTYCNHKD-OAHLLOKOSA-N 295.383 0.949 10 10 CCCE COCc1nc(C(=O)N2Cc3cccc(O)c3C2)n(C)n1 866100499 XYTLNEHNUBKZGB-UHFFFAOYSA-N 288.307 0.823 10 10 CCCE C[C@@H](CCN)N(C)c1cc2c(cc1N)OCC(=O)N2 1876258683 NUGFGPXQCQRBCQ-QMMMGPOBSA-N 264.329 0.773 10 10 CCCE CN(c1ccc2c(c1)NC(=O)[C@@H]2O)C1CC(CO)C1 1879166731 YUPUCGRDZYDKNX-QDPIBXHXSA-N 262.309 0.879 10 10 CCCE O=C(c1cccc(O)c1O)N1CC([C@@H]2CCNC2)C1 1886876511 ORGSXUYXCFCEFT-SECBINFHSA-N 262.309 0.779 10 10 CCCE COc1cc2c(c(O)c1OC)[C@@H](C1CNC1)NCC2 75823133 LZGNBXHSYPATDK-GFCCVEGCSA-N 264.325 0.816 10 10 CCCE CN(C)C(=O)NCCCNC(=O)Cc1ccc(N)cc1 1964450909 SAMGFOWTLIIAGD-UHFFFAOYSA-N 278.356 0.589 10 10 CCCE N[C@@H](CC(=O)O)c1nnc(-c2ccc(O)c(O)c2)o1 83480473 MWMXVXNUZNLJBX-LURJTMIESA-N 265.225 0.622 10 10 CCCE N[C@@H](C(=O)NCc1ncc[nH]1)c1cccc(O)c1O 83452196 MICFFYLNHIYHKP-SNVBAGLBSA-N 262.269 0.137 10 10 CCCE CN(C)Cc1nnc([C@H](N)c2ccc(O)c(O)c2)o1 83463225 CVXGOQMNMOESFM-LLVKDONJSA-N 264.285 0.591 10 10 CCCE COC[C@@H](CN(C)C(=O)c1cccc(O)c1O)OC 691287051 PBSSWCLQCABWSC-SECBINFHSA-N 269.297 0.831 10 10 CCCE O=C(NC[C@@H]1[C@@H](C(=O)O)C1(F)F)c1ccc(O)c(O)c1 715372579 YNWFIUIYHQITBQ-MUWHJKNJSA-N 287.218 0.794 10 10 CCCE NC(=O)CC1CC(NC(=O)c2ccc(O)c(O)c2)C1 718552114 NBECMFOYZLRMHI-UHFFFAOYSA-N 264.281 0.482 10 10 CCCE CC(C)[C@@H]1C(=O)NCCN1C(=O)Cc1ccc(O)c(O)c1 1443260324 ROUFTJYRPWGFOR-CQSZACIVSA-N 292.335 0.623 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N3CC(F)(CO)C3)cc21 2116282234 CACMRUCOZBOXJW-NSHDSACASA-N 265.288 0.183 10 10 CCCE COC(=O)[C@@H](CF)NC(=O)Cc1ccc(O)c(O)c1 1298710458 UYJNXBFSHYXCKI-MRVPVSSYSA-N 271.244 0.268 10 10 CCCE C[C@@H](C(=O)Nc1ccc(N)cc1)N1CC=C[C@H]1CO 2119814177 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CCC[C@H]1NC(=O)N(CC(=O)Nc2ccc(N)cc2)C1=O 19272245 ORGDHKCEDFIRNB-LLVKDONJSA-N 290.323 0.928 10 10 CCCE CN1CCN(c2ccc3c(c2)OCO3)C[C@H]1CCN 250394870 QMWMQQNZUCDGHG-GFCCVEGCSA-N 263.341 0.885 10 10 CCCE O=C(N[C@@H]1CC[C@H]2C[C@]21CO)c1cc(O)nc(O)c1 2132105002 KGLYFTNYWRNNAE-RWEMILLDSA-N 264.281 0.384 10 10 CCCE CC(C)[C@@H](O)CN(C)C(=O)c1cc(O)c(O)c(O)c1 2132348539 NUJKCPLAWLTKRX-NSHDSACASA-N 269.297 0.892 10 10 CCCE CO[C@@H]1CC[C@@H]1CNC(=O)c1cc(O)c(O)c(O)c1 2132413065 JRNAIYUXJJYESD-RDDDGLTNSA-N 267.281 0.958 10 10 CCCE CC[C@](C)(NC(=O)c1cc(O)c(O)c(O)c1)C(N)=S 2132401234 SKPFJCUGZQFMCE-LBPRGKRZSA-N 284.337 0.988 10 10 CCCE O=C(O)[C@]1(Sc2nccs2)CNCCOC1 1904814151 LTZNCMJOCDSQII-VIFPVBQESA-N 260.340 0.678 10 10 CCCE COc1cccc(O)c1CNCCc1cn(C)nn1 1967727365 ZFXJSVLSSTWZRP-UHFFFAOYSA-N 262.313 0.862 10 10 CCCE COC[C@@](C)(CO)CNCc1ccc(O)cc1O 1926980074 LQQDNKYCTCFCSH-CYBMUJFWSA-N 255.314 0.832 10 10 CCCE O=C1CC[C@@H](CNC(=O)[C@@H]2CNc3ccccc3N2)N1 229881874 JMFKCTBLRONKNR-CABZTGNLSA-N 274.324 0.287 10 10 CCCE C[C@@]1(CCO)CCN1c1ccc2c(c1)NC(=O)[C@@H]2N 2140576609 VZWYHNZUERUXLF-OCCSQVGLSA-N 261.325 0.990 10 10 CCCE CCN(CC(=O)N(C)c1ccc(N)cc1)C1CN(C)C1 2146892350 PJRTUZURVMUWCE-UHFFFAOYSA-N 276.384 0.868 10 10 CCCE O=C(O)C[C@H]1C(=O)NCCN1Cc1cc(F)ccc1O 236432374 LTHVZRZAPYMNGE-JTQLQIEISA-N 282.271 0.306 10 10 CCCE Cn1nc(C(=O)NCCc2ccc(N)cc2)ccc1=O 237821497 YPBSANILZDDBOF-UHFFFAOYSA-N 272.308 0.335 10 10 CCCE CN1C[C@H](C(=O)O)N(Cc2c(O)cccc2Cl)CC1=O 2143811983 VVNFLFLWJDSNMY-SNVBAGLBSA-N 298.726 0.773 10 10 CCCE Nc1ccc(C[C@@]2(O)CCCS(=O)(=O)C2)cc1 258121948 XUNWODSTJCXNPU-LBPRGKRZSA-N 255.339 0.751 10 10 CCCE O=C(COc1ccc(N2CCNCC2)cc1)NC1CC1 35650837 PPLLVVVIUYGZEA-UHFFFAOYSA-N 275.352 0.754 10 10 CCCE COCCNCc1ccc(N2CC[C@H]2C(N)=O)c(F)c1 2145608760 UKDQLOYJNDSIFI-ZDUSSCGKSA-N 281.331 0.626 10 10 CCCE CC[C@H](O)c1ccc(N2CCOC[C@H]2[C@@H](O)CO)cc1 2146315446 BMLVCFBLGVNSQM-KKUMJFAQSA-N 281.352 0.688 10 10 CCCE C[C@H](c1ccccc1O)N(C)C(=O)[C@H]1CNC[C@@H](O)C1 2155382435 NQXOXYSGFNWMOW-UTUOFQBUSA-N 278.352 0.882 10 10 CCCE [N-]=[N+]=NCCCNC(=O)N[C@H]1CCS(=O)(=O)C1 2021030195 AFRUJHPAMZKHJI-ZETCQYMHSA-N 261.307 0.173 10 10 CCCE Cc1cc(N2CC(OCC(N)=O)C2)ccc1CO 2028717683 DSEMETFUBXOISP-UHFFFAOYSA-N 250.298 0.178 10 10 CCCE CCN[C@H](c1ccccc1O)C1(O)CS(=O)(=O)C1 2031151852 AGBKOOVADYIQAO-LLVKDONJSA-N 271.338 0.202 10 10 CCCE Nc1ccc(NC(=O)CCn2ncccc2=O)cc1 61401787 YMSSYEBFKMLMGK-UHFFFAOYSA-N 258.281 0.854 10 10 CCCE COCCN1C[C@H](O)[C@@H](N2CC[C@@H](N=[N+]=[N-])C2)C1 2039190811 BCQJJYPSMLXRNC-VWYCJHECSA-N 255.322 0.063 10 10 CCCE COC(=O)[C@H](C)NC(=O)NCc1ccc(N)cc1 2039309439 ZLSRDHOBVLCGSV-QMMMGPOBSA-N 251.286 0.630 10 10 CCCE CNCc1ccc(N2CC[C@@](CO)(OC)C2)cc1 403047795 INYLNQRVEHHIFC-CQSZACIVSA-N 250.342 0.994 10 10 CCCE Oc1ccc(CNCC[C@@]2(O)CCOC2)c(O)c1O 404173287 BQWVLFNRHOJUDO-CYBMUJFWSA-N 269.297 0.435 10 10 CCCE NCc1ccc(N2C[C@H](O)[C@@H](CO)C2)cc1C(F)(F)F 317578292 BSECMCVPZSFBHX-SKDRFNHKSA-N 290.285 0.954 10 10 CCCE Oc1cc2c(cc1CNCCCc1nnc[nH]1)OCO2 80593440 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CNCc1ccc(N2C[C@@H](O)C[C@H]2CO)c(F)c1 698175569 PXFOLWRHQHPMTO-QWRGUYRKSA-N 254.305 0.477 10 10 CCCE CN[C@H](C)c1ccc(N2CC[C@@H](O)[C@@H](CO)C2)cc1O 396792815 BZEIFMRYTUCBQV-JTNHKYCSSA-N 280.368 0.852 10 10 CCCE COc1cc(C(=O)N[C@H]2CC[C@H](CO)C2)cc(OC)n1 2166944772 AZVWQBBKBMBPPG-ONGXEEELSA-N 280.324 0.990 10 10 CCCE C[C@H](N)c1ccc(N2CC[C@]3(CNC(=O)N3)C2)cc1O 2177692374 VYLMPYZQPPAKQT-XPTSAGLGSA-N 276.340 0.674 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CC2(CCNCC2)C1 2188922240 FUFGQQZCSZMEPN-UHFFFAOYSA-N 278.308 0.629 10 10 CCCE NC[C@H](CC(F)(F)F)NC(=O)c1cc(O)c(O)c(O)c1 2188922634 IHOSKYLECSTPFF-LURJTMIESA-N 294.229 0.813 10 10 CCCE CN[C@@H]1CCc2cc(N(C)[C@H]3CC(=O)NC3=O)ccc21 2184729328 HYGNCFPWMLGDLQ-OLZOCXBDSA-N 273.336 0.745 10 10 CCCE C[S@@](=O)C1CN(c2ccc3c(c2)NC(=O)[C@H]3O)C1 2051891500 FWAFNPIUISDILM-BBATYDOGSA-N 266.322 0.239 10 10 CCCE COc1ccc(CN[C@H]2COC[C@H]2OC)c(O)c1 2057145598 KWUINZBGFQRLDC-WCQYABFASA-N 253.298 0.904 10 10 CCCE Nc1ccc(O)c(CN2CC[C@]3(O)CCOC[C@@H]3C2)c1 2194576833 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O=C(NCCc1ccc(O)c(O)c1)[C@@H]1C[C@H](F)CN1 2091753869 RWSZORXSWIRJLU-UWVGGRQHSA-N 268.288 0.457 10 10 CCCE Nc1ccc(NC(=O)CCN2C[C@H](O)[C@H](F)C2)cc1 2092765348 FYDCNMNELOHENK-NEPJUHHUSA-N 267.304 0.612 10 10 CCCE CC[C@@H](N)c1ccc(N(C)[C@@H]2CC(=O)NC2=O)cc1 2114736437 AHZUQDWLFHFDFA-VXGBXAGGSA-N 261.325 0.948 10 10 CCCE Nc1ccc(CC(=O)N2C[C@@H](F)[C@@H](C(=O)O)C2)cc1 2120617152 PGCSRTYJVLSFHZ-WDEREUQCSA-N 266.272 0.692 10 10 CCCE COc1ccc(N2CCOC[C@H]2CO)c(CO)c1 2220427342 JJLGXWUQMBSGAH-LLVKDONJSA-N 253.298 0.385 10 10 CCCE Nc1ccc(N2CCN(C[C@H]3CCNC3=O)C2=O)cc1 2236664346 SEZBOMXGXQMMDZ-SNVBAGLBSA-N 274.324 0.647 10 10 CCCE Nc1ccc(CS(=O)(=O)NC[C@@H]2CC[C@@H]2N)cc1 2259352513 UPLHGAQNNIKPQK-JQWIXIFHSA-N 269.370 0.426 10 10 CCCE COc1cc(OC)c(N(C)C(CO)CO)cc1OC 2273649518 DOEUWPDQNGLMBJ-UHFFFAOYSA-N 271.313 0.502 10 10 CCCE Cc1cc(N2CC[C@](O)(C(N)=O)C2)ccc1[C@@H](C)O 2269675833 YAUBTVRCNOWXLT-QMTHXVAHSA-N 264.325 0.475 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3CC[C@]4(O)C[C@@H]4C3)ccc21 2280028951 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CCS(=O)(=O)N1CCN(c2ccc3c(c2)OCO3)CC1 243809058 QPJHVQPCJHWBHF-UHFFFAOYSA-N 298.364 0.887 10 10 CCCE O=C(NCc1ccccc1O)[C@@H]1CNCC1(F)F 700540930 RYGMLRHRKHTPIA-VIFPVBQESA-N 256.252 0.863 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC[C@H]2CCC[C@@H](C1)N2 2166631193 XIHHAJOQULWOKM-MNOVXSKESA-N 277.324 0.849 10 10 CCCE CC(=O)C(=O)COC(=O)[C@H](C)NC(=O)c1ccoc1 808506525 KUSHHLLHDHOFSU-ZETCQYMHSA-N 267.237 0.099 10 10 CCCE CC(=O)C(=O)COC(=O)C1CCN(CC(F)(F)F)CC1 808504722 KVSZQBFXMCOXLW-UHFFFAOYSA-N 295.257 0.962 10 10 CCCE C[C@H]1CS(=O)(=O)C[C@H]1Nc1c(N)cccc1C(=O)O 712311008 PKJBLYAUMUNFCH-OIBJUYFYSA-N 284.337 0.812 10 10 CCCE Cc1c(Cl)c(C=C2C(=O)N(C)C(=O)N(C)C2=O)nn1C 817341282 FJJAJFUQDKGBRG-UHFFFAOYSA-N 296.714 0.816 10 10 CCCE CNN[S@]([O])(=O)=C1C=C(Br)S[C@@H]1C 725598356 JPOCSKVVYCABLL-DRXNWVPXSA-N 286.196 0.799 10 10 CCCE C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC(=O)N1 824909879 QNXDDPAXKHEYRE-CYBMUJFWSA-N 289.379 0.844 10 10 CCCE Nc1ccc(CC(=O)N2CC[C@@H](C3CNC3)C2)cc1 1876480637 SVHRNPYPRKLGFF-GFCCVEGCSA-N 259.353 0.879 10 10 CCCE Nc1ccc(CCC(=O)N[C@@H]2CCOC[C@@H]2N)cc1 1876440055 QXTXKFZNGUJMAV-QWHCGFSZSA-N 263.341 0.434 10 10 CCCE C[S@](=O)(=NC(=O)COc1ccc(N)cc1)C1CNC1 1876440470 BLGMNUQVSAIROZ-LJQANCHMSA-N 283.353 0.244 10 10 CCCE C[C@H](NC(=O)COc1ccc(N)cc1)[C@H]1CCNC1 1876448122 AIILDJLMXQCABV-QWRGUYRKSA-N 263.341 0.762 10 10 CCCE Nc1cc2c(cc1N1C[C@H]3CCN[C@H]3C1)OCCO2 1876599795 GFTMIPZYNRNVEK-KOLCDFICSA-N 261.325 0.838 10 10 CCCE C[C@@H](c1ccccc1O)N(C)C(=O)[C@@H]1CNCCN1 1877518271 SDFSFIGETMGBPJ-JQWIXIFHSA-N 263.341 0.473 10 10 CCCE C[C@H](O)[C@@H]1CCCN1c1ccc2c(c1)NC(=O)[C@@H]2N 1879184078 AYUHUNVXWIUHCV-AQUOVQTQSA-N 261.325 0.988 10 10 CCCE COC(=O)[C@@H]1CCN1C(=O)Cc1ccc(O)c(O)c1 1157060791 TYJWJMQLTUCPGC-VIFPVBQESA-N 265.265 0.414 10 10 CCCE C[C@@H](NC(N)=O)C(=O)N(C)[C@H](C)c1ccccc1O 701152050 UJPXNIQILLCPCH-RKDXNWHRSA-N 265.313 0.968 10 10 CCCE COCCc1nnc([C@H](N)c2ccc(O)c(O)c2)o1 83480972 NZDPILQCDPLMSP-LLVKDONJSA-N 265.269 0.718 10 10 CCCE CNCCCNCc1cc(O)c(O)c([N+](=O)[O-])c1 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CNC(=O)CCCC(=O)NCc1c(O)cccc1O 1635846958 DSUOKTPPMHBIMB-UHFFFAOYSA-N 266.297 0.630 10 10 CCCE COCCCNC(=O)CN1CC[C@H](CN=[N+]=[N-])C1 1912191604 TZZJZQIOWUSCLE-SNVBAGLBSA-N 255.322 0.771 10 10 CCCE Cc1cc(=NC(=O)CN(C)CCCN=[N+]=[N-])[nH]o1 1912189182 SOPGOMVDWQJQTM-UHFFFAOYSA-N 252.278 0.976 10 10 CCCE CCn1cc(S(=O)(=O)N2CC[C@H](CN=[N+]=[N-])C2)nn1 1912204392 BEJNTZZTYDODMY-MRVPVSSYSA-N 285.333 0.619 10 10 CCCE CCN1CCN(c2ccc(CNCCN)cc2)CC1 107797651 UBJFEGASPPRMJD-UHFFFAOYSA-N 262.401 0.877 10 10 CCCE C[C@@](CO)(NC(=O)c1cc(O)c(O)c(O)c1)C1CC1 2132348201 GJNHHVQVVMMHOI-ZDUSSCGKSA-N 267.281 0.694 10 10 CCCE O=C(NC[C@@H]1CC[C@H](O)C1)c1cc(O)c(O)c(O)c1 2132349043 XMVZCEWQWIZYMF-APPZFPTMSA-N 267.281 0.694 10 10 CCCE CN[C@@H](C)CCCNC(=O)c1cc(O)c(O)c(O)c1 2132404409 RPUVCHYXFLDACC-QMMMGPOBSA-N 268.313 0.921 10 10 CCCE C[C@@H](O)[C@H](O)CNCc1ccc2c(c1)CCCO2 922308543 DLQPJRPXJFOLMK-ZWNOBZJWSA-N 251.326 0.843 10 10 CCCE Cc1ccc(CNC(CO)CO)c(O)c1Br 1905143000 MSJNGNSXSOTRNN-UHFFFAOYSA-N 290.157 0.906 10 10 CCCE NC(=S)[C@H]1C[C@@H](NC(=O)c2ccc(O)c(O)c2)C1 1917751876 HFSHHDZUGFLWON-OCAPTIKFSA-N 266.322 0.892 10 10 CCCE CN(C)[C@H]1COC[C@@H]1NC(=O)Cc1ccc(N)cc1 1922103284 LCNOXXSBEQSBSA-STQMWFEESA-N 263.341 0.257 10 10 CCCE Oc1cccc(-c2nnc(N3CCCNCC3)[nH]2)c1O 227341224 ZUHIUCASINHFLZ-UHFFFAOYSA-N 275.312 0.683 10 10 CCCE COc1cc(N2CC(C(=O)N(C)C)C2)ccc1CN 2139682715 LJLNANMQJDRUKF-UHFFFAOYSA-N 263.341 0.678 10 10 CCCE CN1CC[C@H](NCc2ccc3c(c2)CCN3C)C1=O 228687227 PXTMYYGJWKKJOG-ZDUSSCGKSA-N 259.353 0.999 10 10 CCCE O=C([C@H]1CNc2ccccc2N1)N1CCOC[C@@H]1CO 229885422 QAWSHIXNYRXWMO-GXFFZTMASA-N 277.324 0.112 10 10 CCCE COC[C@@H](NCc1cccc(Cl)c1O)C(N)=O 1947024845 PQYZNRUYFNGVNF-SECBINFHSA-N 258.705 0.636 10 10 CCCE C[C@H](N)c1ccc(N2C[C@@H](CCO)[C@@H](CO)C2)cc1O 2149912734 FSIZDLLFHLLVGX-QJPTWQEYSA-N 280.368 0.839 10 10 CCCE Oc1cc(F)ccc1CN[C@@H]1C[C@H]2C[C@H]1[C@@H](O)[C@@H]2O 1974156803 IPQCGKUOCCYIGB-PPRJDUMRSA-N 267.300 0.751 10 10 CCCE Cc1cc(O)ccc1NS(=O)(=O)C1CC(O)C1 2005412064 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O=C(c1cc(O)nc(O)c1)N1CCC[C@@H](O)CC1 378704620 PABCLCRHUSNWBL-SECBINFHSA-N 252.270 0.480 10 10 CCCE CC[C@@H](NC(=O)CCOc1ccc(N)cc1)C(N)=O 379278716 BMZJQNWFKJJSFA-LLVKDONJSA-N 265.313 0.418 10 10 CCCE COc1ccc(N2CC[C@H](NC(N)=O)C2)c(N)c1 690736628 JPSIXHZEERMOQP-QMMMGPOBSA-N 250.302 0.524 10 10 CCCE CN(C)c1ccc(CN2CCOC[C@@]2(CN)CO)cc1 693949229 BURLKYHMJRTFFD-OAHLLOKOSA-N 279.384 0.275 10 10 CCCE COc1ccc([C@H](C)NCc2nnn(C)n2)c(O)c1 398139398 IPSVRKDAWNUTPS-QMMMGPOBSA-N 263.301 0.775 10 10 CCCE CCNCc1ccc(N2CCOC[C@H](O)C2)c(C#N)c1 399932206 NBXTWIXTUKKAJR-CQSZACIVSA-N 275.352 0.865 10 10 CCCE COc1ccc(N2CCN(C[C@@H](O)CO)CC2)cc1F 929821176 MDOSUKSEUYLFIX-GFCCVEGCSA-N 284.331 0.310 10 10 CCCE O=C1N[C@H]2CN(CC(=O)c3ccc(O)c(O)c3)C[C@@H]2O1 2176927727 OOTBMMCIPBRZSN-UFBFGSQYSA-N 278.264 0.073 10 10 CCCE O=C1NC(=O)N2CCN(c3ccc(CO)cc3Cl)C[C@H]12 2171304373 FMMCPDHPEFWGJN-LLVKDONJSA-N 295.726 0.573 10 10 CCCE NC1[C@H]2CC[C@H]1CN(C(=O)c1cc(O)c(O)c(O)c1)C2 2188919444 MZSDRUPBKBTCRJ-YUMQZZPRSA-N 278.308 0.613 10 10 CCCE CN(C[C@H]1CCCNC1)C(=O)c1cc(O)c(O)c(O)c1 2188924598 REXZESXPHVWEAS-VIFPVBQESA-N 280.324 0.875 10 10 CCCE CN1C(=O)[C@H](O)c2ccc(N3CC[C@@H]4COC[C@@H]43)cc21 2198559350 VMFKSNZCUVHKDO-BIGNPOOSSA-N 274.320 0.922 10 10 CCCE NC(=O)[C@@]1(O)CCCN(c2ccc3c(c2)CC[C@H]3N)C1 2184730630 XYWGZTGCHGMEQQ-UKRRQHHQSA-N 275.352 0.449 10 10 CCCE COc1ccc(N2C[C@H](N)[C@@H]3COC[C@H]32)c(F)c1 2044304938 MMFUBHBIOPQQOU-XHVZSJERSA-N 252.289 0.997 10 10 CCCE N[C@@H]1C[C@H]2CC[C@H]1CN2C(=O)c1cc(O)c(O)c(O)c1 2191477508 VQRIASLWGXJPMI-FXBDTBDDSA-N 278.308 0.755 10 10 CCCE CO[C@H]1C[C@H](O)CN(c2ccc(CN)cc2F)C1 2046664702 OWJDRCVZRYRZHZ-QWRGUYRKSA-N 254.305 0.870 10 10 CCCE CO[C@H]1CN[C@H](CNC(=O)CCc2ccc(N)cc2)C1 2191664778 ZJYOBVKRROZBFT-UONOGXRCSA-N 277.368 0.695 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)[C@@H]2NCC[C@H]2C2CC2)C1 2049783709 ZQIAXMFEUYPKDP-KYVBTAMFSA-N 250.342 0.640 10 10 CCCE CO[C@H]1CNC[C@H]1NC(=O)Nc1ccc(N)cc1 2071565924 VIQWTRCVQLJPNZ-MNOVXSKESA-N 250.302 0.377 10 10 CCCE CCOC[C@@H](N)C(=O)N[C@@H](C)c1ccccc1O 2072491618 SJYCIJMXQDAQBL-GXSJLCMTSA-N 252.314 0.933 10 10 CCCE C[C@@H](NC[C@@H]1CCNC1=O)c1c(O)cccc1O 2075994675 QNCRMUGPSZKHLO-BDAKNGLRSA-N 250.298 0.885 10 10 CCCE CNCc1ccc(N2C[C@H](O)[C@H](N(C)C)C2)c(C)c1 2089924706 XKXBUGXKRHDNPK-CABCVRRESA-N 263.385 0.826 10 10 CCCE C[C@@H]1C[C@H]1N(CCO)CC(=O)c1ccc(O)c(O)c1 2110790524 UXKOAEWILZUHAO-MWLCHTKSSA-N 265.309 0.983 10 10 CCCE CCN[C@@H](c1ccccc1O)[C@@H](O)c1nnn(C)n1 2091858516 JSJNOVSSQBDDLY-WDEREUQCSA-N 263.301 0.300 10 10 CCCE Nc1ccc(OCC(=O)N[C@@H]2C[C@H]3OCC[C@H]23)cc1 2095529288 LFEYATHBALWJQQ-JHJVBQTASA-N 262.309 0.941 10 10 CCCE CN1CC2(C1)CN(c1ccc3c(c1)NC(=O)[C@@H]3N)C2 2095937591 ANOBJZARHMOYFM-GFCCVEGCSA-N 258.325 0.390 10 10 CCCE COc1ccc(N2C[C@H](O)[C@@H](CO)C2)c(OC)c1 2219644915 JKQHMQBZYSWIDK-SKDRFNHKSA-N 253.298 0.493 10 10 CCCE COc1ccc(N2CCO[C@@H](CO)C2)c(C=O)c1 2220434101 YOHHEWLYLLKCKL-GFCCVEGCSA-N 251.282 0.705 10 10 CCCE CO[C@@H]1CN(c2ccc([C@@H](C)O)cc2)[C@@H](CO)[C@H]1OC 2233351185 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CN1CCN(C)[C@@H](C(=O)N2CCC[C@@H](N=[N+]=[N-])CC2)C1 2155752523 CAFVQUDSPZHJQF-VXGBXAGGSA-N 280.376 0.924 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@@H]1CNCCOC1 700464769 YSZGFORQOXHYCI-GFCCVEGCSA-N 264.325 0.587 10 10 CCCE CC1(C)[C@H](CO)OCCN1C(=O)c1ccc(O)c(O)c1 2159642873 FXLIABHKQHMVLY-LBPRGKRZSA-N 281.308 0.710 10 10 CCCE CN=c1[nH]c(=NCCc2ccc(O)c(O)c2)[nH]cc1N 2157684386 VAJCFMHVYFRMDM-UHFFFAOYSA-N 275.312 0.010 10 10 CCCE O=C(N[C@@H]1CCCn2ncnc21)c1cccc(O)c1O 193130187 KERHEFZYGKOSAO-SECBINFHSA-N 274.280 0.954 10 10 CCCE C[C@H](O)CN(CCO)c1cc2c(cc1N)OCCO2 311949649 YXSYJKWJDBPJDI-VIFPVBQESA-N 268.313 0.220 10 10 CCCE O=[N+]([O-])c1ccc(N2CC[C@](O)(CO)C2)cc1CO 313629819 RBAQMKWRAMTSGO-GFCCVEGCSA-N 268.269 0.021 10 10 CCCE Nc1ccc(OCCN2CC(n3cncn3)C2)cc1 707605071 RHLSQPVDWIGADU-UHFFFAOYSA-N 259.313 0.796 10 10 CCCE CNCCS(=O)(=O)N(C)Cc1ccccc1O 722274627 ZYOGHIIZJKUYGP-UHFFFAOYSA-N 258.343 0.373 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@@H]3O 380068577 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284.331 0.140 10 10 CCCE CCNCc1cc(OC)ccc1N1CC[C@](O)(CO)C1 2235955169 QUSYJFLCMALIRE-OAHLLOKOSA-N 280.368 0.738 10 10 CCCE COc1ccc(N2CCOC[C@@H]2[C@@H](O)CO)cc1F 2226783947 OIVWNYWQSFUCFF-NEPJUHHUSA-N 271.288 0.393 10 10 CCCE O=C1CCC2(CN(c3ccc(CO)cc3[N+](=O)[O-])C2)N1 2238023785 UTAQPRAJQANYCN-UHFFFAOYSA-N 277.280 0.556 10 10 CCCE Nc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]2C[C@H]3[C@@H](O)[C@H]2O)cc1 2228722508 PAWNAIFGRUYWOT-KRXYVZHUSA-N 260.337 0.693 10 10 CCCE CSc1ncc(CNC(=O)[C@H]2OCC[C@@H]2CN)s1 2256938169 QYGBHTUUJQBERH-APPZFPTMSA-N 287.410 0.845 10 10 CCCE CN[C@H]1COC[C@@H]1C(=O)NCc1cnc(SC)s1 2257026645 NPZUGRGQQDQIEE-IUCAKERBSA-N 287.410 0.716 10 10 CCCE CN1C(=O)NC(=O)C(=Cc2ccc(O)c(O)c2)C1=O 2296732999 KLGCHQXZEAOCAY-UHFFFAOYSA-N 262.221 0.189 10 10 CCCE CC(=O)C(=O)[C@@H](O)c1cnn(CC(F)(F)F)c1 2303371083 DQGYIEOTWGPAQU-QMMMGPOBSA-N 250.176 0.637 10 10 CCCE COc1ccc(N2C[C@@H]3C[C@H]2[C@@H](O)[C@H]3O)c(F)c1 2312395150 VPNWFBSPBYECAY-GIMBAOAISA-N 253.273 0.765 10 10 CCCE CO[C@@H]1[C@@H](O)C[C@H]1N[C@@H](C)c1c(O)cccc1O 2313160261 YUPARVIUVNFAHA-XXEYQXHCSA-N 253.298 0.897 10 10 CCCE Nc1ccc(CC(=O)N2C[C@@H]3CS(=O)(=O)[C@H]3C2)cc1 2336522452 LJSJMHJPHBIPMO-PWSUYJOCSA-N 280.349 0.067 10 10 CCCE CSc1cc(N2C[C@@H](CO)[C@@H](CO)C2)ccc1CN 2353852919 SOSKHVWSXGFFBW-TXEJJXNPSA-N 282.409 0.904 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1C[C@H]2CC[C@@H]1N2 2355436427 VPNHOWZPABJYTJ-TUAOUCFPSA-N 276.336 0.897 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC[C@@H]2CC[C@@H](O)[C@H]1C2 2355758203 QHFWTZFQMMGMMT-JMJZKYOTSA-N 278.308 0.868 10 10 CCCE NC(=O)[C@@H]1CN(Cc2cc3c(cc2O)CCC3)CCO1 50926902 FCHNCYDEYZFMEM-AWEZNQCLSA-N 276.336 0.567 10 10 CCCE CCOC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 49375343 SWGZJCZXQGSMJZ-SCZZXKLOSA-N 296.323 0.035 10 10 CCCE NC(=O)CCCCOC(=O)COc1ccc(N)cc1 381633680 CBENTDVUERAMPC-UHFFFAOYSA-N 266.297 0.846 10 10 CCCE CCCNC(=O)C1CN(C(=O)c2ccc(O)c(O)c2)C1 2168045519 XFWQULGGDQHRLT-UHFFFAOYSA-N 278.308 0.696 10 10 CCCE CCN[C@H]1C(=O)Nc2cc(N(CC)CC(N)=O)ccc21 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C[C@H]1Oc2ccc(C(=O)C(=O)C(=O)O)cc2NC1=O 76358658 FHWSDEBKCRMTRN-RXMQYKEDSA-N 263.205 0.242 10 10 CCCE CNCc1ccc(N2CCO[C@@H](CO)C2)c(F)c1 168217752 YCGCNVDHAUGSTH-LLVKDONJSA-N 254.305 0.743 10 10 CCCE O=C(O)[C@@H](c1cccc(O)c1O)N1C(=O)CCC1=O 83480461 UVMOLAOYJLVQAS-SNVBAGLBSA-N 265.221 0.373 10 10 CCCE N[C@H](CC1CC1)C(=O)NCCc1ccc(O)c(O)c1 83477967 HWSJBZNUAMUPCE-LLVKDONJSA-N 264.325 0.884 10 10 CCCE CCn1nnc([C@@H](O)[C@H](NC)c2ccccc2O)n1 1892980389 ASMQRXSCBINXCT-MNOVXSKESA-N 263.301 0.393 10 10 CCCE [N-]=[N+]=NCCN[C@@]1(C(N)=O)CCCN2CCSC[C@@H]21 718496812 ZUTCHGVZVDLJQZ-KOLCDFICSA-N 284.389 0.322 10 10 CCCE Nc1ccc(NC(=O)Cn2cc(Cl)c(=O)[nH]c2=O)cc1 91329305 KXSLDOWCDGRUNH-UHFFFAOYSA-N 294.698 0.411 10 10 CCCE COc1cc(N)c(N2C[C@@H](CO)OC[C@@H]2C)cc1OC 214218753 CYARNOXZMJJGQX-UWVGGRQHSA-N 282.340 0.872 10 10 CCCE CCN1CC[C@H](NC(=O)Cc2ccc(O)c(O)c2)C1=O 1454701179 ROTSYMUEDKPVFO-JTQLQIEISA-N 278.308 0.377 10 10 CCCE Nc1ccc(CCNC(=O)[C@@H]2C=C[C@H]2C(=O)O)cc1 2119953125 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C[C@H](O)CN(C[C@@H](C)O)c1ccc(CN)c(F)c1F 2103484716 OCWKQOIAIYHSKB-DTORHVGOSA-N 274.311 0.992 10 10 CCCE CN(C)c1ccc(CN2C(=O)CC(=O)NC2=O)cc1 2104178806 RXWRHMYIWHSCNE-UHFFFAOYSA-N 261.281 0.721 10 10 CCCE CNCc1ccc(N2C[C@H]3C[C@H]2[C@@H](O)[C@H]3O)c(F)c1 2104423548 LALKPIABZGCBJA-IGJVIKARSA-N 266.316 0.475 10 10 CCCE O=C(N[C@@H]1C[C@]2(C(=O)O)C[C@@H]12)c1cc(O)nc(O)c1 2104726879 WLPRBEWQLFOAKC-QRPMWFLTSA-N 264.237 0.086 10 10 CCCE N[C@@H]1CN(c2ccc3c(c2)COCC3)[C@H]2COC[C@@H]12 2106343832 AZFDPJLGYNXAEP-ZNMIVQPWSA-N 260.337 0.922 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)C[C@@]23CC[C@@H]2CNC3)C1 2086351585 BUTBMCCBDZKOEN-ZHSDAYTOSA-N 250.342 0.642 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3CC4(CC(O)C4)C3)ccc21 2090137798 CFXMOIGDNOHGAY-GFCCVEGCSA-N 259.309 0.600 10 10 CCCE CCN[C@@H](c1ccccc1O)[C@@H](O)c1cnnn1C 2091861222 ZJTYYEUTDKFFIQ-STQMWFEESA-N 262.313 0.905 10 10 CCCE CSCC[C@@H](NC(=O)Cc1ccc(N)cc1)C(N)=O 108260482 RMQQNQYWGRZNPO-LLVKDONJSA-N 281.381 0.535 10 10 CCCE COc1ccc(N(C)C[C@H](N)c2ncnn2C)cc1 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C[C@@]1(O)[C@H]2C[C@@H]1CN(c1ccc3c(c1)NC(=O)[C@@H]3O)C2 2286198292 CLWYGZPRCSYUES-BQOLRUCTSA-N 274.320 0.879 10 10 CCCE NC[C@]12C[C@H]1CN(C(=O)CCOc1ccc(N)cc1)C2 2288242673 JMEZWHLQUOCQHC-NHYWBVRUSA-N 275.352 0.845 10 10 CCCE NCCNC(=O)C=Cc1ccc(N2CCOCC2)cc1 2301558852 FXGWSUFTQVLBDJ-UHFFFAOYSA-N 275.352 0.611 10 10 CCCE CCN(CCN=[N+]=[N-])C(=O)[C@@H]1CCCS1(=O)=O 2300532708 ZXRJTBNBQMWDIR-QMMMGPOBSA-N 260.319 0.722 10 10 CCCE CC(=O)C(=O)[C@H](O)c1ccc(P(C)(C)=O)nc1 2303351772 WNMHYESWNVEOIB-LLVKDONJSA-N 255.210 0.521 10 10 CCCE Oc1ccccc1CNC[C@@H]1C[C@@H]2C[C@H]1[C@@H](O)[C@@H]2O 2330551006 RDMPYGXZDVOVBL-BUONHZGMSA-N 263.337 0.860 10 10 CCCE C[C@@](NCCCN=[N+]=[N-])(C(N)=O)[C@H]1C[C@@H]2CCO[C@@H]21 2333157753 YWJDBSMYBQXBLH-GMOBBJLQSA-N 267.333 0.945 10 10 CCCE C[C@H](N)c1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CF)c(F)c1 2333234871 AGUAGQIAUPYNHH-VGYUKGMSSA-N 272.295 0.725 10 10 CCCE OCc1ccc(N2C[C@H](O)[C@@H](CO)C2)cc1C1CC1 2339161928 WDVHUGHIRVMFRZ-DOMZBBRYSA-N 263.337 0.846 10 10 CCCE CN(C(=O)COc1ccc(N)cc1)[C@H]1CNC[C@@H]1F 2343634633 UFZVKMOQSXZKRF-RYUDHWBXSA-N 267.304 0.416 10 10 CCCE [N-]=[N+]=NCCNC(=O)c1ccc(-c2nnn[nH]2)cc1 95159152 HPLSAJDWIVDFPM-UHFFFAOYSA-N 258.245 0.907 10 10 CCCE COCCNC(=O)CN(C)Cc1cc(C(C)=O)ccc1O 50147959 QCGUNLOEIPACAI-UHFFFAOYSA-N 294.351 0.789 10 10 CCCE CCCOCCC(=O)N(CC(N)=O)Cc1ccc(N)cc1 54433991 PZTHDGVYZMDHLE-UHFFFAOYSA-N 293.367 0.899 10 10 CCCE NC(=O)CSCCC(=O)Nc1ccc(N)cc1 305295344 FJSJZDDXRUARRN-UHFFFAOYSA-N 253.327 0.816 10 10 CCCE C[C@H](CO)CN(CC(N)=O)Cc1ccc(N)cc1 128224374 FVYCQTGATNRWFV-JTQLQIEISA-N 251.330 0.185 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3CCC[S@](=O)CC3)ccc21 322064638 VXLBTRNKCZFRLD-RBZFPXEDSA-N 293.392 0.858 10 10 CCCE N[C@H](CCC(=O)O)C(=O)NCc1ccccc1O 228420911 RBPOKVBSYLUXEP-SECBINFHSA-N 252.270 0.201 10 10 CCCE Cc1cc(NS(=O)(=O)CS(C)(=O)=O)c(C)cc1O 235790370 MVMNHEXHSAUCQK-UHFFFAOYSA-N 293.366 0.753 10 10 CCCE O=C(O)[C@H]1COCCN(Cc2ccccc2O)C1 700400806 LRKPKLOOKATZFZ-LLVKDONJSA-N 251.282 0.925 10 10 CCCE NC(=O)c1nccnc1NCCOc1ccc(N)cc1 54399204 KKICWBBVNVQRJN-UHFFFAOYSA-N 273.296 0.649 10 10 CCCE CC(=O)C(=O)COC(=O)[C@@H](C)c1c(C)n[nH]c1C 808538027 GTRRZLVVLFQDFV-LURJTMIESA-N 252.270 0.831 10 10 CCCE N[C@@H](C(=O)O)c1cc(O)cc(Br)c1O 714973681 ADUNTYYKONTVRP-ZCFIWIBFSA-N 262.059 0.945 10 10 CCCE CNC(=O)[C@H]1CCCN1c1ccc2c(c1)NC(=O)[C@@H]2N 723185028 FYANGOGMNGMEBH-VXGBXAGGSA-N 274.324 0.353 10 10 CCCE COc1ccc(N2CC[C@H](NC(=O)CCC(N)=O)C2)cc1 912292282 KOQIFDXVLDOKME-NSHDSACASA-N 291.351 0.656 10 10 CCCE O=C(NC[C@@H]1CN(C2CC2)C(=O)O1)c1cccc(O)c1O 848365262 WNZUNELQYMDQPW-SECBINFHSA-N 292.291 0.811 10 10 CCCE COc1ccc(CNC(=O)N[C@H](C)[C@@H](C)N)c(O)c1 842003519 IGQYIVZYEJJJHJ-RKDXNWHRSA-N 267.329 0.936 10 10 CCCE NC(=O)CSCC(=O)NCc1c(O)cccc1F 928705574 LLSWWQCKNZJYDF-UHFFFAOYSA-N 272.301 0.366 10 10 CCCE Cc1cccc(CN2CCO[C@H](CC(N)=O)C2)c1O 862535565 RUNVDZCOCVLIJJ-GFCCVEGCSA-N 264.325 0.777 10 10 CCCE Nc1ccc(OCC(=O)N2CC3(CCNC3)C2)cc1 1876488698 IKYYPZSPFXBMOI-UHFFFAOYSA-N 261.325 0.470 10 10 CCCE NC(=O)c1cccc(N)c1N[C@@H]1CCCC12CNC2 1876461254 ABSGLAMVZLWJTB-LLVKDONJSA-N 260.341 0.922 10 10 CCCE C[C@@H]1C[C@H](CNC(=O)COc2ccc(N)cc2)CN1 1876519919 CGNALIHOHJHDBJ-MNOVXSKESA-N 263.341 0.762 10 10 CCCE CNCc1ccc(N2C[C@@H]3C[C@H]2CN3C(N)=O)cc1 1877084198 SOQGWPJPSJPZCV-STQMWFEESA-N 260.341 0.748 10 10 CCCE CCOC(=O)[C@H](CCOC)NC(=O)c1cccc(O)c1O 799071868 UZQKNYRHYZFOGB-JTQLQIEISA-N 297.307 0.796 10 10 CCCE Nc1ccc(OCCC(=O)N2CCOCCO2)cc1 1899634177 DSCXQVYGEUZQHF-UHFFFAOYSA-N 266.297 0.828 10 10 CCCE O=C(N[C@H]1CC[C@H](O)[C@H](O)CC1)c1cccc(O)c1O 1303831056 VVHZLQHLAZSPPN-UIKWRGBMSA-N 281.308 0.492 10 10 CCCE NC(=O)CC1CC(NC(=O)NCc2c(O)cccc2F)C1 1248610426 YLLSANNTKVFFMI-UHFFFAOYSA-N 295.314 0.985 10 10 CCCE CCOC(=O)CNCc1cc([N+](=O)[O-])ccc1O 83397842 YNKDZOQUXBPKPW-UHFFFAOYSA-N 254.242 0.953 10 10 CCCE Nc1cc2c(cc1N1CCOC[C@@H]1CCO)OCCO2 694898211 JFWMGNUHUDRSGP-JTQLQIEISA-N 280.324 0.628 10 10 CCCE COC[C@@H](COC[C@H](O)COc1ccc(N)cc1)OC 695672923 CZKPSPKZFXDFRT-JSGCOSHPSA-N 285.340 0.687 10 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C[C@@]1(O)CCN(C(=O)c2ccc(O)c(O)c2)C[C@@H]1O 1893300459 NIWPUETYROJONG-WCQYABFASA-N 267.281 0.056 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCc1cnsc1 687227418 MQDFQUSYGPAYKA-JTQLQIEISA-N 293.348 0.741 10 10 CCCE O=C(c1cccc(O)c1O)N1C[C@@H]2C[C@]2(C(=O)O)C1 693268360 UUIXQQFLKJREHQ-CPFSXVBKSA-N 263.249 0.645 10 10 CCCE CN(CC(C)(CO)CO)C(=O)COc1ccc(N)cc1 689235057 WEMCIMNNTATCJG-UHFFFAOYSA-N 282.340 0.097 10 10 CCCE [N-]=[N+]=NCCCN[C@@]1(C(N)=O)CCc2cccnc21 716227785 CXLCJOOEEIHFRM-LBPRGKRZSA-N 260.301 0.998 10 10 CCCE CC(=O)C(=O)[C@@H](O)c1c(Br)cnn1C 1929166450 XVMKNYQNFBLMEY-QMMMGPOBSA-N 261.075 0.374 10 10 CCCE O=S1(=O)C[C@H]2[C@H](CNCc3ccc(O)c(O)c3)[C@H]2C1 2117989952 NJPDCFXZUMNKDQ-RTCCRHLQSA-N 283.349 0.478 10 10 CCCE CC1(C)[C@H](N)CCN1C(=O)Cc1ccc(O)c(O)c1 2119879872 RIOTYVGQIIRWJJ-GFCCVEGCSA-N 264.325 0.979 10 10 CCCE CNC[C@H]1CN(C(C)=O)C[C@H]1c1cccc(O)c1O 1614636526 YCYCYLRPTREMMY-CMPLNLGQSA-N 264.325 0.879 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CCNCC2(CC2)C1 2123445503 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2134792202 DSDDSJOJCJBLNE-VHSXEESVSA-N 272.305 0.624 10 10 CCCE COC1(CCN)CN(Cc2ccc(O)cc2O)C1 1916727099 LOLXHWBWNOOVGH-UHFFFAOYSA-N 252.314 0.647 10 10 CCCE NC[C@H]1CCCCN1C(=O)Cc1ccc(O)c(O)c1 1969070651 FWMLFVOXWROEHX-LLVKDONJSA-N 264.325 0.980 10 10 CCCE C[C@H](N)c1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CO)cc1Cl 2136340477 XGLGDCVECOILQQ-GIMBAOAISA-N 286.759 0.262 10 10 CCCE COc1cc(N2CC[C@](C)(O)[C@H](O)C2)ccc1CO 2139701362 BOAJJDIXQGDJAK-KGLIPLIRSA-N 267.325 0.510 10 10 CCCE Cc1cccc(CNC(=O)N[C@@H](C)S(C)(=O)=O)c1O 2139740603 APCFCHXMQNPKLW-SECBINFHSA-N 286.353 0.890 10 10 CCCE CNC(=O)CCN(C)c1cc2c(cc1N)OCCO2 234386344 FONPZKTZBNVUEW-UHFFFAOYSA-N 265.313 0.612 10 10 CCCE Oc1cc(Br)ccc1CNCCn1cnnn1 1942798630 DNGCDMJHPLXXDR-UHFFFAOYSA-N 298.144 0.931 10 10 CCCE O=C1[C@@H](NC2CC2)CCN1CCc1ccc(O)c(O)c1 2147999130 GLPVJROIQYKJMM-LBPRGKRZSA-N 276.336 0.993 10 10 CCCE CCOC(=O)C[C@@H](N)[C@H](O)c1ccc(O)c(O)c1 259737320 PICSXCZUWQVMFQ-PRHODGIISA-N 255.270 0.412 10 10 CCCE Nc1cnc(C(=O)NCCc2ccc(O)c(O)c2)cn1 2148002545 CDBOBVMCKHQFSD-UHFFFAOYSA-N 274.280 0.443 10 10 CCCE CCN[C@H](c1ccccc1O)[C@](C)(O)C1CS(=O)(=O)C1 2148158397 ZMAPESWRLYKNJV-ZIAGYGMSSA-N 299.392 0.838 10 10 CCCE CCOC(=O)C[C@@H](N)c1c(O)cccc1S(C)(=O)=O 260613757 IAKDZDXUZHOEKO-MRVPVSSYSA-N 287.337 0.749 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1C[C@@H]2CCC[C@@H](O)[C@H]2C1 2150976395 KDWVPNVVHHXGQA-INTQDDNPSA-N 278.308 0.726 10 10 CCCE Nc1cc2c(cc1N1C[C@@H](O)C(F)(F)C1)CCC(=O)N2 2152098920 TVJVUJFBZFXEAO-LLVKDONJSA-N 283.278 0.970 10 10 CCCE COc1cccc(CN2CC[C@@H](NC(N)=O)C2)c1O 271377805 REACTSOQCATGHX-SNVBAGLBSA-N 265.313 0.643 10 10 CCCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)[C@H]2CN3CCN2CC3)CC1 2155754692 OCSHFLAXCKAICU-VXGBXAGGSA-N 278.360 0.678 10 10 CCCE OCCC[C@H](CO)NCc1ccc(O)c(O)c1O 2029924448 UCTFPIPZBCPTOZ-SECBINFHSA-N 257.286 0.026 10 10 CCCE CN(Cc1ccc(N)cc1)C(=O)CCS(C)(=O)=O 2031607959 CLJJUSRNDLKNMN-UHFFFAOYSA-N 270.354 0.662 10 10 CCCE CO[C@@H]1CS(=O)(=O)C[C@@H]1NCc1ccc(N)cc1 2031662324 GVMOMHVOQLPYJO-NWDGAFQWSA-N 270.354 0.170 10 10 CCCE CN(CCCO)S(=O)(=O)CCOc1ccc(N)cc1 311358907 ZQROYYILJWGTNV-UHFFFAOYSA-N 288.369 0.292 10 10 CCCE CN1C[C@@H](NCc2ccc(F)c(F)c2O)C(=O)N1 703307096 GBSBHHGHWJSBGD-MRVPVSSYSA-N 257.240 0.105 10 10 CCCE CN1CC[C@@](O)(CNCc2ccc(F)c(F)c2O)C1 703418377 WQUYOYPWVBXKFT-CYBMUJFWSA-N 272.295 0.827 10 10 CCCE C[C@H](N)c1ccc(N2CCN(C)C[C@H]2CO)cc1O 703807369 UPZQEWXRBFECDR-JQWIXIFHSA-N 265.357 0.525 10 10 CCCE COC[C@@](C)(CO)N(C)CC(=O)Nc1ccc(N)cc1 689816270 VQQQTCOKZHSPRR-CQSZACIVSA-N 281.356 0.537 10 10 CCCE CN1CCc2cc([C@H](O)c3cn(C)nc3CN)ccc21 2179925887 VPUACAXMQHFEHO-HNNXBMFYSA-N 272.352 0.953 10 10 CCCE COCCNCc1ccc(N2CC(C)(O)C2)cc1 384096816 DMOABQFVGMEAMC-UHFFFAOYSA-N 250.342 0.994 10 10 CCCE Nc1ccc(CC(=O)OCC2(CO)COC2)cc1 384356203 FMAJLGCSUVYETP-UHFFFAOYSA-N 251.282 0.363 10 10 CCCE CCOC(=O)[C@]1(NCCN=[N+]=[N-])CCOC[C@@H]1OC 389174461 JHQPAEIYLKBHAM-ONGXEEELSA-N 272.305 0.624 10 10 CCCE Oc1cccc2c1[C@H](NC[C@@H]1CN3CCN1CC3)CC2 394803466 NBRRJSYRJTXBGF-ZIAGYGMSSA-N 273.380 0.969 10 10 CCCE CC1(C)CN(c2ccc3c(c2)NC(=O)[C@H]3N)CC[S@@]1=O 2170967423 DRJMCHBVUSIZTI-YUNKPMOVSA-N 293.392 0.986 10 10 CCCE O=C(N[C@@]12CC[C@@H](C1)[C@@H](O)[C@@H]2O)c1cccc(O)c1O 2176907855 DHVUXPGJWGDINB-MFPCZICSSA-N 279.292 0.102 10 10 CCCE CN(CC(=O)N(C)CCC(N)=S)Cc1ccccc1O 2192591821 LTZFFNHRIHRQOS-UHFFFAOYSA-N 295.408 0.959 10 10 CCCE CC1(C[S@](C)(=O)=NC(=O)c2cccc(O)c2O)CNC1 2192775836 PCEQXWAKKKNBKZ-FQEVSTJZSA-N 298.364 0.945 10 10 CCCE C[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)C[C@@]1(C)CO 2188868105 LZUOOAGFQQLELT-CLAHSXSESA-N 281.308 0.894 10 10 CCCE CNCc1ccc(N2CC3(C2)OC[C@@H](O)[C@H]3O)cc1Cl 2183634247 UQJNLQSIHNWBJF-CHWSQXEVSA-N 298.770 0.370 10 10 CCCE NC(=O)CO[C@@H]1CCN(c2ccc3c(c2)CC[C@@H]3O)C1 2184735396 GDRGRNCLPCHPIT-OCCSQVGLSA-N 276.336 0.747 10 10 CCCE C[C@H](NC[C@](C)(O)CCO)c1cc(O)ccc1O 2045306218 WSIFVMMSLSHGKH-TVQRCGJNSA-N 255.314 0.882 10 10 CCCE C[C@@H]1CN[C@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)[C@@H](C)C1 2049782538 JZKXLCNLBNEVHT-XGZQDADWSA-N 252.358 0.886 10 10 CCCE CN(C)c1ccc2c(c1)CCN2CCS(N)(=O)=O 2050456302 PFAPEGLRRUXQNE-UHFFFAOYSA-N 269.370 0.404 10 10 CCCE COCCNC(=O)CCN1CCC[C@@H](N=[N+]=[N-])C1 2053255890 TUSQFMFWQHUJNT-SNVBAGLBSA-N 255.322 0.914 10 10 CCCE CC(C)(O)[C@H]1CCN1c1cc2c(cc1N)OCC(=O)N2 2191152851 RIHKEOCLNACMET-GFCCVEGCSA-N 277.324 0.949 10 10 CCCE COc1ccc(N2CC[C@@H](CO)[C@H](N)C2)c(F)c1 2058546411 YDUIUCITEOOJGT-JOYOIKCWSA-N 254.305 0.980 10 10 CCCE CC(C)(N)CCCNC(=O)c1cc(O)nc(O)c1 2058951809 ZSHWGAZZAQNYKS-UHFFFAOYSA-N 253.302 0.740 10 10 CCCE CNC1CN(C(=O)c2ccn(-c3ccc(N)cc3)n2)C1 2191679598 OJPCPPGNXGRYJE-UHFFFAOYSA-N 271.324 0.498 10 10 CCCE Nc1ccc(-n2ccc(C(=O)NCC3(N)CC3)n2)cc1 2191759615 DJZCPYKKSCLIPA-UHFFFAOYSA-N 271.324 0.676 10 10 CCCE CNCc1ccc(N2CC[C@H](O)[C@@H](O)C2)c(Cl)c1 2068378272 SZRACGRUQVVANG-STQMWFEESA-N 270.760 0.991 10 10 CCCE CC(C)[C@@H](N)CNC(=O)c1cc(O)c(O)c(O)c1 2068613835 ALIHNSXGFRMLPJ-QMMMGPOBSA-N 254.286 0.517 10 10 CCCE Nc1ccc(CC(=O)N[C@H]2CC(C(=O)O)=C[C@@H]2O)cc1 2188070636 YXYQJYLTSGPOQV-RYUDHWBXSA-N 276.292 0.072 10 10 CCCE Cc1cccc(CNC(=O)[C@@H](F)C2CNC2)c1O 2084065484 YBOJCPWLHYBFNV-NSHDSACASA-N 252.289 0.874 10 10 CCCE C[C@H](N[C@H](C(=O)O)C1COC1)c1c(O)cccc1O 2104900369 LRRDGDPXEBSGRW-MADCSZMMSA-N 267.281 0.848 10 10 CCCE CN[C@H](C)c1ccc(N2C[C@@H](O)C[C@@H](O)C2)cc1O 2105074291 MXLRSDQEWHMFGL-JLLWLGSASA-N 266.341 0.605 10 10 CCCE N[C@@H]1CC[C@H]1C(=O)NCCc1ccc(O)c(O)c1 2085052379 GXBLJTBCIINSFF-NXEZZACHSA-N 250.298 0.494 10 10 CCCE COc1ccc2c(c1)NC(=O)[C@@H]1CN(C)C(=O)CN21 2087498254 HCVFBBLZUTVSHK-NSHDSACASA-N 261.281 0.294 10 10 CCCE C[C@H]1CNCCCN1C(=O)Cc1ccc(O)c(O)c1 2087729921 SLCHODSBLBCXBB-JTQLQIEISA-N 264.325 0.851 10 10 CCCE Cc1ccc(O)c([C@H](C)NC2CN(S(C)(=O)=O)C2)c1 2089188214 IYYUAWCMZCDAFT-JTQLQIEISA-N 284.381 0.995 10 10 CCCE NC(=O)c1cccc(N)c1N[C@@H]1C[C@H](CO)[C@@H]2C[C@@H]12 2110571705 CATUAEAUGFOYNC-DLYFRVTGSA-N 261.325 0.797 10 10 CCCE Cc1cc(N(C)CCN(C)S(C)(=O)=O)ccc1CO 2090793578 UNGSXMXZRLMJMP-UHFFFAOYSA-N 286.397 0.815 10 10 CCCE 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C[C@@H](O)c1ccc(N2C[C@H](O)[C@H](O)[C@H](CO)C2)c(F)c1 2289357274 FQPTTXMZXSTNNM-DURYJLSESA-N 285.315 0.029 10 10 CCCE COc1cc(OC)c(N(C)[C@@H]2COC[C@H]2O)cc1OC 2289449141 XDZSWYSRIBPMPF-GHMZBOCLSA-N 283.324 0.908 10 10 CCCE OCc1ccc(N2CC([C@H](O)CO)C2)cc1Cl 2300048228 QLAICSSRBIMSOV-GFCCVEGCSA-N 257.717 0.622 10 10 CCCE C[C@@H](O)c1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)c(Cl)c1 2332915996 KBSKVSHGOCGCFK-KQXJFYCDSA-N 287.743 0.296 10 10 CCCE COc1ccc(N2C[C@H]3CS(=O)(=O)[C@@H]3C2)c(CO)c1 2336464826 HDACNZROJBDRDH-GXFFZTMASA-N 283.349 0.421 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CCOC[C@H](F)C2)cc1 2336662148 DDVZRSWUQQMFCM-LLVKDONJSA-N 288.344 0.769 10 10 CCCE O=C(O)[C@H]1C[C@@H]2CN(C(=O)c3ccc(O)c(O)c3)C[C@@H]21 2355416017 DTBHMBKAYAJKKN-UTLUCORTSA-N 277.276 0.891 10 10 CCCE C[C@@H](C(=O)Nc1ccc(N)cc1)N1C[C@@H](F)[C@H](CO)C1 2355615192 PRFXWIOYKYPCTO-OUJBWJOFSA-N 281.331 0.858 10 10 CCCE O=C(N[C@H]1C[C@@H](CO)[C@@H]2C[C@@H]12)c1cc(O)c(O)c(O)c1 2356975544 YWFSHGXGQFZNNR-QEYWKRMJSA-N 279.292 0.550 10 10 CCCE COc1ccc([C@H](NCCN=[N+]=[N-])C(N)=O)cn1 158309447 VSDDIIXRQNLCEV-VIFPVBQESA-N 250.262 0.517 10 10 CCCE NC(=O)CN(CC(=O)N1CCCC1)Cc1ccc(N)cc1 35366606 KPEZYVWTYOEHGQ-UHFFFAOYSA-N 290.367 0.179 10 10 CCCE Nc1ccc(OCCS(=O)(=O)NCCF)cc1 379717972 RWNWYLAHMBAJKO-UHFFFAOYSA-N 262.306 0.537 10 10 CCCE CC(C)CNC(=O)[C@@H](C)NC(=O)COc1ccc(N)cc1 228890525 KZQITVNNPCVOQZ-LLVKDONJSA-N 293.367 0.925 10 10 CCCE C[C@@H](c1ccc(O)cc1O)N1CCOC[C@@H]1C(=O)O 88382418 PKOFDBSLJMSJRK-GZMMTYOYSA-N 267.281 0.944 10 10 CCCE CN1C[C@H](C(=O)O)NC(=O)c2cc3c(cc21)OCCO3 527431446 JIPFBJUNLFNSOB-MRVPVSSYSA-N 278.264 0.091 10 10 CCCE CC(=O)C(=O)COC(=O)c1cn(C)nc1C(C)C 808506206 FDBJPCZIDNSWKZ-UHFFFAOYSA-N 252.270 0.858 10 10 CCCE CN1CCCc2cc([C@@H](Cn3cncn3)NN)ccc21 2163096825 ZKDAGIFRTPZZJE-CYBMUJFWSA-N 272.356 0.865 10 10 CCCE CC(=O)C(=O)COC(=O)c1cnn(-c2ccccn2)c1C 808501798 OSKKLCVFEZHEHG-UHFFFAOYSA-N 287.275 0.891 10 10 CCCE O=C(O)[C@@H]1[C@H]2CN(C(=O)c3ccc(O)c(O)c3)CC[C@H]21 721239281 SLOIKCKBLUECER-PTRXPTGYSA-N 277.276 0.891 10 10 CCCE CCN(OC)C(=O)CNCc1cc(OC)c(OC)cc1O 843430326 INRDOWOJYZPFOY-UHFFFAOYSA-N 298.339 0.909 10 10 CCCE CON(C)C(=O)[C@H](C)NC(=O)c1cccc(O)c1O 863629655 FJUKDDMQVBEGIC-ZETCQYMHSA-N 268.269 0.236 10 10 CCCE COc1cccc(CN2CC(O)([C@H](F)C(=O)O)C2)c1O 1875538624 LYTFGGUQCAAZNV-LLVKDONJSA-N 285.271 0.370 10 10 CCCE CCOC(=O)[C@]1(NCCN=[N+]=[N-])C[C@H]2CC[C@H]1CN2 1876036296 OJCCWZVXAWCNIO-UMNHJUIQSA-N 267.333 0.960 10 10 CCCE NC[C@H]1CCCN1C(=O)CCOc1ccc(N)cc1 1876455344 DKGGUBCFOQMCFA-GFCCVEGCSA-N 263.341 0.987 10 10 CCCE CON(C(=O)CCOc1ccc(N)cc1)C1CNC1 1876421174 AVLNPYGYSXIXTL-UHFFFAOYSA-N 265.313 0.400 10 10 CCCE C[C@]1(CNC(=O)COc2ccc(N)cc2)CCNC1 1876524065 UPUXTQOUBMHGTE-AWEZNQCLSA-N 263.341 0.763 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC1CCC1 52210851 OWTJOUGVGOVADD-JTQLQIEISA-N 250.298 0.636 10 10 CCCE O=C(N[C@@H](CO)C[C@@H]1CCOC1)c1cccc(O)c1O 1963844720 OLCIXIYNWNPYSB-VHSXEESVSA-N 281.308 0.615 10 10 CCCE O=C(O)CCC(=O)[C@@H]1NCCc2c1ccc(O)c2O 75793591 DKVKTVXGHCQVHT-GFCCVEGCSA-N 265.265 0.719 10 10 CCCE CCOCCOC(=O)CN1CCOc2cc(CN)ccc21 74338271 JGWXSENAOFJUBQ-UHFFFAOYSA-N 294.351 0.924 10 10 CCCE C[C@@H]1Oc2ccc(N3CCNCC3)cc2N(C)C1=O 82570359 IZPFDXWILQHWSW-JTQLQIEISA-N 261.325 0.840 10 10 CCCE NCc1ccc(N2CCN(C=O)CC2)c([N+](=O)[O-])c1 82572081 JCNWEMKIELFDSU-UHFFFAOYSA-N 264.285 0.332 10 10 CCCE C[C@H](c1ccccc1O)N(C)C(=O)c1n[nH]c(N)n1 55168370 ZHATXGQBVFHZNF-SSDOTTSWSA-N 261.285 0.926 10 10 CCCE Nc1ccc(Cc2nnc3ncc(C(=O)O)cn23)cc1 84854639 LOWQFGPMBFNMJD-UHFFFAOYSA-N 269.264 0.996 10 10 CCCE CNC(=O)[C@H]1CCCN1CCOc1ccc(N)cc1 42391165 DIGSJYVHNVUBKM-CYBMUJFWSA-N 263.341 0.858 10 10 CCCE O=C(Cn1cnc([N+](=O)[O-])n1)N1Cc2cccc(O)c2C1 1175029587 IFYVPHHDNQCCAA-UHFFFAOYSA-N 289.251 0.434 10 10 CCCE C[C@H](c1cc(O)ccc1O)N1CCN(C)[C@@H](C(=O)O)C1 686095252 CWMWFTZFQNOYST-BXKDBHETSA-N 280.324 0.859 10 10 CCCE CC[C@@H](OC(=O)CCOc1ccc(N)cc1)C(N)=O 61678600 IVOJGVQAEJXALT-LLVKDONJSA-N 266.297 0.845 10 10 CCCE CO[C@@H]1CS(=O)(=O)C[C@@H]1Nc1ccc(N)cc1 696850896 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C[C@H](C(=O)N1CCOCC1)N(C)c1ccc(N)cc1 20422583 RWEIVGZKPRWXMO-LLVKDONJSA-N 263.341 0.952 10 10 CCCE CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@H]2CO[C@H](O2)[C@H]1N=[N+]=[N-] 5639406 WQIXFBBVGSVFBH-MQIGXGKASA-N 271.229 0.284 10 10 CCCE Nc1ccc(OCC(=O)OC[C@H]2CCNC2=O)cc1 2128741513 CIGXAWUCJICLIA-SECBINFHSA-N 264.281 0.327 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@H]2[C@H](O)C[C@H]2C1 2132348529 NSLLFSHRPJEHTQ-DJLDLDEBSA-N 265.265 0.256 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CCOC[C@@H]1CF 2132403069 HMWQMVRUDSSQJX-QMMMGPOBSA-N 271.244 0.614 10 10 CCCE CCCN(c1ccc(N)cc1)S(=O)(=O)N1CC[C@H](O)C1 1914161907 XBWPFQJTTVTRLV-ZDUSSCGKSA-N 299.396 0.797 10 10 CCCE C[C@@](O)(CO)[C@@H]1CCN(c2ccc(CN)cc2F)C1 2138102887 MVPQBKZVFCEISJ-BXUZGUMPSA-N 268.332 0.854 10 10 CCCE Cc1cc(CN)ccc1N1CC[C@H]2C[C@H]1[C@H](O)[C@H]2O 2134817020 OSVSYWQNRDBBFN-MXAVVETBSA-N 262.353 0.774 10 10 CCCE CC(C)CNCc1ccc(N2CC(O)(C(N)=O)C2)cc1 1915250418 OUAIDBMZQXRGFJ-UHFFFAOYSA-N 277.368 0.469 10 10 CCCE O=[N+]([O-])c1cc(CO)ccc1N1C[C@@H]2C[C@H]2[C@H]1CO 1905821810 IBFMMUDPVFLCKT-OPQQBVKSSA-N 264.281 0.904 10 10 CCCE N[C@@H]1CC[C@@H]2CN(C(=O)Cc3ccc(O)c(O)c3)C[C@@H]21 1969137864 JTVITTNIQDGXOG-GRYCIOLGSA-N 276.336 0.836 10 10 CCCE NC(=O)C1[C@H]2CN(CCOc3ccc(N)cc3)C[C@H]12 2136626786 GZNCXCRLDOJWEI-RYUDHWBXSA-N 261.325 0.311 10 10 CCCE Cc1cccc(CNS(=O)(=O)[C@@H](CO)C2CC2)c1O 2139757025 CKDZPBRQUPVOKY-LBPRGKRZSA-N 285.365 0.891 10 10 CCCE Nc1ccc(N2C(=O)NC[C@H]([C@@H]3CCOC3)C2=O)cc1 2150159333 FRYXXEKOKURATC-BXKDBHETSA-N 275.308 0.978 10 10 CCCE NC1CCC(C(=O)O)(c2cc(O)nc(O)c2)CC1 1952761070 HHUDMBDDMLTUGT-UHFFFAOYSA-N 252.270 0.717 10 10 CCCE CCOC(=O)[C@@H]1C[C@@]1(N)c1ccc(O)c(O)c1O 1952829249 JIEKCLOJWQOVNT-JVXZTZIISA-N 253.254 0.540 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1[C@@H]2CCCN[C@H]21 1971243184 ZAKZFXVMRDBDDB-OWYVNGRQSA-N 262.309 0.507 10 10 CCCE NC(=O)[C@@H]1CCCCN1S(=O)(=O)Cc1ccc(N)cc1 42272493 PFWPHMDOHRQBAS-LBPRGKRZSA-N 297.380 0.438 10 10 CCCE CC1(C)CC(=O)N[C@H]1Cn1ccc2c(c1=O)CNCC2 2150795008 FXOMLRRUNMJNLY-LBPRGKRZSA-N 275.352 0.409 10 10 CCCE CNC1CN(c2cc3c(cc2[N+](=O)[O-])NC(=O)CC3)C1 2145487233 AHLUAPRDJVHOKX-UHFFFAOYSA-N 276.296 0.888 10 10 CCCE Cc1nc([C@H](N)[C@H](O)c2ccc(N(C)C)cc2)n(C)n1 2149821159 XSXHRTOQDITGNG-CHWSQXEVSA-N 275.356 0.923 10 10 CCCE C[C@@H](CC(N)=O)N(C)[C@H](C)C(=O)Nc1ccc(N)cc1 2151339871 GAUVWMYQMGNCEB-VHSXEESVSA-N 278.356 0.792 10 10 CCCE O=C(NC[C@]1(CO)CC12CCC2)c1cc(O)nc(O)c1 2154197258 BTPPNXUAZFVENZ-AWEZNQCLSA-N 278.308 0.775 10 10 CCCE C[C@H](CS(N)(=O)=O)NCc1cc(F)cc(F)c1O 2035452139 PHKQBVYTYVUYKO-ZCFIWIBFSA-N 280.296 0.437 10 10 CCCE C[C@H]1CN(c2ccc3c(c2)NC(=O)[C@H]3N)CCS1(=O)=O 707158443 FVNINTSLTLPGGD-UFBFGSQYSA-N 295.364 0.262 10 10 CCCE C[C@H](c1nn[nH]n1)N(C)S(=O)(=O)Cc1ccc(N)cc1 707219568 DAIXIORQPBQJDY-MRVPVSSYSA-N 296.356 0.305 10 10 CCCE C[C@@H](c1ccccc1O)N1CCOC[C@@]1(CN)CO 693934250 PDUVHAGNFMQZSD-SMDDNHRTSA-N 266.341 0.475 10 10 CCCE COCCNCc1ccc(N2CC(O)C2)c(F)c1 384091808 BZAUSZODYWUZHG-UHFFFAOYSA-N 254.305 0.743 10 10 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Cc1cccc(CNC(=O)[C@H]2CO[C@H](C)CN2)c1O 2139742830 YAPGFPOPHWGPEA-ZYHUDNBSSA-N 264.325 0.694 10 10 CCCE COc1cc(N2CC[C@H](O)[C@H](CO)C2)ccc1CN 2139701818 XQQLLYHXVIPJSE-AAEUAGOBSA-N 266.341 0.333 10 10 CCCE CN(C)[C@H]1COC[C@H]1CNC(=O)Nc1ccc(N)cc1 1924724749 NPWTXSXQDSGJOK-MFKMUULPSA-N 278.356 0.967 10 10 CCCE O=C(NCCn1cccn1)[C@@H]1CNc2ccccc2N1 229878743 BALDAYPKKNHOCW-ZDUSSCGKSA-N 271.324 0.906 10 10 CCCE C[C@H]1CN(CC(=O)c2ccc(O)c(O)c2)C[C@@H](CO)O1 229977029 KLHKQRMMQQWISE-ONGXEEELSA-N 281.308 0.362 10 10 CCCE Cc1ccc(CN2CC(=O)N(C)C[C@H]2C(=O)O)c(O)c1 1968207236 IQESSIUEOVRKOV-NSHDSACASA-N 278.308 0.428 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC[C@@H]2C[C@@H](O)CC[C@@H]21 2143970566 SHTDURIXGYPRMQ-MIMYLULJSA-N 278.308 0.868 10 10 CCCE COc1cccc(CN2C[C@@H](N)C[C@H](O)C2)c1O 1971880290 KTSSZAVDPGGLCR-QWRGUYRKSA-N 252.314 0.295 10 10 CCCE CNCc1ccc(N2CC[C@@H](OCC(N)=O)C2)c(F)c1 2145375929 VCSHGMNYLWCRGA-LLVKDONJSA-N 281.331 0.626 10 10 CCCE NC(=O)[C@H]1CCCN1c1cc2c(cc1N)OCC(=O)N2 35452748 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C[C@H]1CN(C(=O)c2cc(O)nc(O)c2)CC[C@@H]1CCO 2172471689 DZUFKIUVTTXUTN-VHSXEESVSA-N 280.324 0.973 10 10 CCCE NC(=O)N1CCC(NC(=O)Cc2ccc(N)cc2)CC1 393180103 KRGQGWKJZOTPBT-UHFFFAOYSA-N 276.340 0.471 10 10 CCCE O=C(CN1CCOC[C@@H]1CCO)c1ccc(O)c(O)c1 694959751 QYIZOTQOAFPTDY-NSHDSACASA-N 281.308 0.364 10 10 CCCE COc1ccc(N(C)[C@@H](CN)c2cn(C)nn2)cc1 388914769 JFNXOOAWNGIOMU-ZDUSSCGKSA-N 261.329 0.960 10 10 CCCE O=C(NC[C@H]1CNCCCO1)c1cccc(O)c1O 389776881 DQVOAFPQODASOU-SECBINFHSA-N 266.297 0.206 10 10 CCCE CN1CCc2cc(CN[C@@H]3CCO[C@@H]3C(N)=O)ccc21 2174098502 RFUVONIHIVNFQI-OCCSQVGLSA-N 275.352 0.411 10 10 CCCE O=C1CC[C@@H](NC(=O)c2ccc(O)c(O)c2)CCN1 396671346 RNMMMRRSYIMXGJ-SECBINFHSA-N 264.281 0.496 10 10 CCCE CNCc1ccc(N2CC[C@H](O)[C@@H](CO)C2)cc1 396844855 HXADKWUNCCLZSA-OCCSQVGLSA-N 250.342 0.586 10 10 CCCE O=C1C[C@H](CNCc2cc3c(cc2O)OCO3)CN1 398354643 UZOYVUMONOKHER-MRVPVSSYSA-N 264.281 0.347 10 10 CCCE CC(=O)N1CC(C(=O)Nc2ccc(O)c(O)c2)C1 2064246528 NUBBQFYBZIAFQO-UHFFFAOYSA-N 250.254 0.515 10 10 CCCE COC1(CF)CN(CC(=O)N(C)c2ccc(N)cc2)C1 2168880542 PCVHBIKJOWICDG-UHFFFAOYSA-N 281.331 0.902 10 10 CCCE C[C@@]1(O)CCN(CC(=O)c2ccc(O)c(O)c2)C[C@@H]1O 2197964608 FIWMGDLIEDPRID-UONOGXRCSA-N 281.308 0.098 10 10 CCCE O=C(N[C@@]12CCCN(CC1)C2)c1cc(O)c(O)c(O)c1 2188867767 GIIQTTIISOWBLM-AWEZNQCLSA-N 278.308 0.772 10 10 CCCE C[C@@H](C(=O)Nc1ccc(N)cc1)N1C[C@@H]2[C@H](CO)[C@@H]2C1 2182063493 FSDMSERQYQQXJT-WTDIUWLJSA-N 275.352 0.766 10 10 CCCE OC[C@@H]1CCc2nnc(-c3cc(O)c(O)c(O)c3)n2C1 2188911833 GACYBNJKSGDXRW-SSDOTTSWSA-N 277.280 0.617 10 10 CCCE O=C(c1cccc(O)c1O)N1C[C@H]2COC[C@@H](C1)[C@@H]2O 2189055439 BBNIREOGQWBZSM-GDGBQDQQSA-N 279.292 0.177 10 10 CCCE O=C1Nc2cc(N3C[C@@H]4C[C@@H]4[C@H]3CO)c(F)cc2[C@H]1O 2199017209 YARPBWDLQGRUSG-RUBFCSMDSA-N 278.283 0.628 10 10 CCCE CS(=O)(=O)N[C@H]1CCN(c2ccc3c(c2)CC[C@@H]3N)C1 2184743987 PVIKKKIOUDYLDL-FZMZJTMJSA-N 295.408 0.761 10 10 CCCE CC[C@H](O)CN(C)c1ccc2c(c1)NC(=O)[C@@H]2O 2044541098 JOKQYASNKMXHDD-JOYOIKCWSA-N 250.298 0.879 10 10 CCCE CN(C)c1ccc([C@@H](NN)[C@@H]2CCS2(=O)=O)cc1 2044734258 UNUZIFPHASLFRJ-NWDGAFQWSA-N 269.370 0.444 10 10 CCCE COc1cccc(CN[C@@H]2C[C@H](O)C[C@H]2O)c1O 2046491283 WNBITHHABPTKCZ-HBNTYKKESA-N 253.298 0.375 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CCC[C@]2(CC[C@@H]2O)C1 2186086060 DQRGAANPQYKDRU-HZMBPMFUSA-N 278.308 0.870 10 10 CCCE C[C@@H](CNC(=O)Cc1ccc(N)cc1)N1CCNCC1 2192465952 QZEIBWPTHKEKMM-LBPRGKRZSA-N 276.384 0.221 10 10 CCCE CN1CCO[C@H](C(=O)N2CC[C@H](CN=[N+]=[N-])C2)C1 2067584759 YIFYEMZEPHMJAW-ZJUUUORDSA-N 253.306 0.476 10 10 CCCE COC[C@](C)(N)C(=O)N[C@H](C)c1ccccc1O 2072489894 JMCCDFNIPAHLJL-RNCFNFMXSA-N 252.314 0.933 10 10 CCCE O=[N+]([O-])c1cc(N2C[C@@H]3OCCO[C@@H]3C2)ccc1CO 2188577588 UJEULOLFQSRMCT-BETUJISGSA-N 280.280 0.691 10 10 CCCE N[C@@H]1CN(c2ccc3c(c2)OCCO3)[C@H]2COC[C@H]12 2106348392 WNFDQGPHRSCVKV-UTUOFQBUSA-N 262.309 0.620 10 10 CCCE O=C(N[C@@H]1CC[C@H]2CNC[C@H]21)c1cc(O)nc(O)c1 2087117390 QBSSEHJPTXBMDZ-FXBDTBDDSA-N 263.297 0.221 10 10 CCCE 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NC(=O)CCNC(=O)CCOc1ccc(N)cc1 40304152 HNKVTJSLJRYXDX-UHFFFAOYSA-N 251.286 0.029 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCCC[C@@H]1CO 40461643 JMVHSLZGOSGZKS-NEPJUHHUSA-N 294.351 0.341 10 10 CCCE Nc1ccc(OCC(=O)NCCn2cccn2)cc1 49074382 YZQJAXWTQXXCCM-UHFFFAOYSA-N 260.297 0.661 10 10 CCCE CSc1ncc(CNC[C@@H](N)C2COC2)s1 2243856226 NFLWTQTVHWDPNN-SECBINFHSA-N 259.400 0.928 10 10 CCCE C[C@@H]1C(=O)N(C)CN1C(=O)/C=C/c1ccc(O)c(O)c1 844103281 NFLDDVTYYVISQF-OTQAPUNGSA-N 276.292 0.758 10 10 CCCE O=[N+]([O-])c1ccc(O)c(CNC[C@H](O)[C@@H]2CCCO2)c1 858227369 TUPQYICQHPNQIK-STQMWFEESA-N 282.296 0.930 10 10 CCCE [N-]=[N+]=NCCN[C@]1(C(N)=O)CCc2ncccc2C1 697180428 OHRVEZFWFAMIQG-GFCCVEGCSA-N 260.301 0.694 10 10 CCCE C[C@H](NC(=O)NCC(=O)N(C)C)c1ccccc1O 867984251 NOTUODZLWDJVCH-VIFPVBQESA-N 265.313 0.841 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC[C@]3(CCN3)C2)cc1 1876171664 OIEUTISGSMIQII-CYBMUJFWSA-N 281.381 0.536 10 10 CCCE Nc1ccc(OCCS(=O)(=O)N2CCNC2=O)cc1 1876541804 FBAVIVZTHIINKU-UHFFFAOYSA-N 285.325 0.003 10 10 CCCE C[C@@H](NC(=O)c1ncc[nH]c1=O)c1ccccc1O 1877566972 GFDARBLJNPLFEA-MRVPVSSYSA-N 259.265 0.967 10 10 CCCE CN(C)C(=O)/C=C\C(=O)NCc1ccc(O)c(O)c1 1137443209 HANASBSHFFVADC-WAYWQWQTSA-N 264.281 0.358 10 10 CCCE NC(=O)c1c[nH]c(C(=O)NCc2cc(O)ccc2O)c1 1303226195 YZQPUADZEYMMSP-UHFFFAOYSA-N 275.264 0.455 10 10 CCCE O=C(NCc1cccc(O)c1O)c1cc2n(n1)CCO2 1303195604 XEBKJDOANAZXBT-UHFFFAOYSA-N 275.264 0.617 10 10 CCCE C[C@H](O)C(C)(C)NC(=O)Cc1ccc(O)c(O)c1 1466167348 DBNHVEUGIQZDHS-QMMMGPOBSA-N 253.298 0.916 10 10 CCCE CN(C)Cc1nnc([C@H](N)c2cc(O)ccc2O)o1 83463234 OSLBWGKPPKXPNW-LLVKDONJSA-N 264.285 0.591 10 10 CCCE CC(C)(CO)c1nnc([C@@H](N)c2cc(O)ccc2O)o1 83588900 KXOBFUNMEGVGSZ-JTQLQIEISA-N 279.296 0.799 10 10 CCCE C[C@H](C(=O)O)c1nnc([C@H](N)c2ccc(O)c(O)c2)o1 83588042 OENMAIBIVFKISA-SSDLBLMSSA-N 279.252 0.717 10 10 CCCE Nc1n[nH]c(CNC(=O)NCc2cccc(Cl)c2O)n1 1313162615 ICMNYHYAIZPUPL-UHFFFAOYSA-N 296.718 0.745 10 10 CCCE COc1ccc(N2CCNC[C@H]2CO)cc1OC 84590235 SFJLIXKZBQVZLX-NSHDSACASA-N 252.314 0.474 10 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10 CCCE CNCCCCN(C)C(=O)c1cc(O)nc(O)c1 2033149333 HLIAGWFEIBBZPW-UHFFFAOYSA-N 253.302 0.564 10 10 CCCE CCN(C)[S@@](N)(=O)=NCCc1ccc(O)c(O)c1 2036693532 ZVPNYZBMFQXUTP-SFHVURJKSA-N 273.358 0.849 10 10 CCCE NCc1ccc(N2CC[C@H]3C(=O)NC(=O)[C@H]3C2)c(F)c1 2158784467 HEUJEOXKUDPYKC-ZJUUUORDSA-N 277.299 0.383 10 10 CCCE O=C(NC[C@]1(CO)CCCOC1)c1ccc(O)c(O)c1 700858527 TUTXZASDNVWTLO-AWEZNQCLSA-N 281.308 0.617 10 10 CCCE C[C@H](NCC1CS(=O)(=O)C1)c1cc(O)ccc1O 701914790 PMWHCCURQQLZQF-QMMMGPOBSA-N 271.338 0.793 10 10 CCCE CO[C@@H]1CN(C(=O)Cc2ccc(N)cc2)C[C@@H]1C(=O)O 702097788 GZLKMSHHMXEVMJ-NWDGAFQWSA-N 278.308 0.369 10 10 CCCE CN1CCc2cc([C@H](O)c3c(CN)cnn3C)ccc21 2163071601 PWWZLVYAZHZQAO-HNNXBMFYSA-N 272.352 0.953 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN1C(=O)CN1CSCC1=O 706100839 FKAXXTUCWSNNAR-MRVPVSSYSA-N 269.330 0.821 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)CN1CSCC1=O 706100841 FKAXXTUCWSNNAR-QMMMGPOBSA-N 269.330 0.821 10 10 CCCE Nc1cc2c(cc1N(CCO)CCCO)CCC(=O)N2 385375640 RVXNERQXDZXUFR-UHFFFAOYSA-N 279.340 0.335 10 10 CCCE CN[C@H](c1ccccc1O)[C@@]1(O)CO[C@@]2(CCOC2)C1 2178948439 MKHFGHSSFPFGLW-ILXRZTDVSA-N 279.336 0.963 10 10 CCCE CN1C[C@@H](NCc2c(O)ccc3ccccc23)C(=O)N1 393903310 PQTIQNAZQHAVTQ-CYBMUJFWSA-N 271.320 0.980 10 10 CCCE CC(=O)c1ccc(O)c(CN2C[C@H](O)[C@@H](O)C2(C)C)c1 2181214797 MGBBSQUHWHWSCD-UONOGXRCSA-N 279.336 0.911 10 10 CCCE CC[C@H]1C(=O)NC(=O)CN1c1ccc2c(c1)CC[C@H]2N 2184728915 CQBVGSPIUGIWCQ-OLZOCXBDSA-N 273.336 0.874 10 10 CCCE N[C@H]1CCc2cc(N3CCN4C(=O)NC[C@@H]4C3)ccc21 2184741960 QSWQTZQEICMKNH-OCCSQVGLSA-N 272.352 0.846 10 10 CCCE CC(C)(NC(=O)c1cccc(O)c1O)c1nn[nH]n1 2094715446 XVYISQRDIBQDHR-UHFFFAOYSA-N 263.257 0.276 10 10 CCCE C[C@H]1CC[C@@H](N)CN1c1cc2c(cc1N)OCC(=O)N2 2191567773 SXBLWQXVJRKIKD-DTWKUNHWSA-N 276.340 0.916 10 10 CCCE CN(C[C@H]1COCCN1)S(=O)(=O)Cc1ccc(N)cc1 2191540453 LHWNTZFLSFJQDP-ZDUSSCGKSA-N 299.396 0.019 10 10 CCCE CNC[C@@H]1CCCN1c1cc2c(cc1N)OCC(=O)N2 2191584907 ATCZDLGESJFRGV-VIFPVBQESA-N 276.340 0.788 10 10 CCCE COC[C@]1(NC(=O)CCc2ccc(N)cc2)CCNC1 2191666065 QRZVLHSKEDSKSS-HNNXBMFYSA-N 277.368 0.696 10 10 CCCE O=C(O)[C@@H]1COCCN1Cc1c(O)cccc1F 2042631561 SRPXUOAFNSOVJQ-JTQLQIEISA-N 255.245 0.817 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@H]2[C@H]3NCCCC[C@H]32)cc1 2191706417 IDKNSSWVOBBEIM-HZSPNIEDSA-N 295.408 0.829 10 10 CCCE Nc1ccc(OCC(=O)N[C@@H]2CC[C@H]3CNC[C@H]32)cc1 2191748044 QDILCPSZESTYAM-ZLKJLUDKSA-N 275.352 0.762 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)C2C[C@@H]3CNC[C@H]3C2)C1 2049783384 VMDAAQYOOCTJLP-HJQYOEGKSA-N 250.342 0.498 10 10 CCCE C[C@@H]1CN(C(=O)Cc2ccc(N)cc2)CC[S@@]1=O 2051911013 YVGHULXCOSVJDC-MGNBDDOMSA-N 266.366 0.791 10 10 CCCE [N-]=[N+]=NCCCCN1CCN[C@@H]2CS(=O)(=O)C[C@@H]21 2054254080 WWDVNYVAMVYWFG-ZJUUUORDSA-N 273.362 0.148 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCN1[C@@H]1CN(C2CC2)C[C@H]1O 2059051652 PVHCUUQRLBSHCL-QJPTWQEYSA-N 251.334 0.969 10 10 CCCE CN(C(=O)C1=C[C@@H](O)[C@@H](N)C1)c1ccc(C(=O)O)cc1 2188023177 UAVFAJCGOOGQKP-NWDGAFQWSA-N 276.292 0.366 10 10 CCCE CC(=O)[C@@H]1CCN1C(=O)c1cc(O)c(O)c(O)c1 2068624482 PPKIHYZIEWHCFJ-QMMMGPOBSA-N 251.238 0.607 10 10 CCCE N=c1[nH]c(CNC(=O)Cc2ccc(N)cc2)cs1 2071727440 XXXUVGFYASOLTH-UHFFFAOYSA-N 262.338 0.997 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@H]2C[C@H](O)C[C@H]2C1 2188868075 LNXAHLKSTYKSHV-MYJAWHEDSA-N 279.292 0.646 10 10 CCCE CO[C@@H]1C[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)C[C@H]1N 2188917413 WRRAPFWMMJSXRY-VAOFZXAKSA-N 282.296 0.038 10 10 CCCE O=C1CC[C@H]2CN(C(=O)c3cc(O)c(O)c(O)c3)C[C@H]12 2188925486 URKNVNRJRNVWLG-CBAPKCEASA-N 277.276 0.855 10 10 CCCE CN1C(=O)[C@@H](O)c2ccc(N3C[C@H]4C[C@]4(CO)C3)cc21 2200842394 OVHPJQWCVLZQEP-ZDBHGNHJSA-N 274.320 0.515 10 10 CCCE COC(=O)[C@]1(NCCCN=[N+]=[N-])CCCNC(=O)C1 2103911606 MGIKFIWDZPTFOY-NSHDSACASA-N 269.305 0.488 10 10 CCCE CN(C)c1ccc(C=C2C(=O)NC(=O)N=C2N)cc1 2087203761 BKARYHCPVPNCGS-UHFFFAOYSA-N 258.281 0.743 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@H](C(=O)O)C1CC1 2087724982 ODRTWGJFDVKGFP-LBPRGKRZSA-N 265.265 0.620 10 10 CCCE C[C@@H](N)c1ccc(N2CCOC[C@H]2[C@H](O)CO)cc1 2090135797 KEEGIWNSTWELNY-DDTOSNHZSA-N 266.341 0.265 10 10 CCCE NCc1ccc(N2CCC(C(CO)CO)CC2)cc1 2114249342 XPKLGCTYMIGRAR-UHFFFAOYSA-N 264.369 0.963 10 10 CCCE Cc1cc(CO)ccc1N1CC[C@@H](C(CO)CO)C1 2114248442 OCWZLRDPJDHUTJ-CYBMUJFWSA-N 265.353 0.914 10 10 CCCE [N-]=[N+]=N[C@H]1CCC[C@H]1NS(=O)(=O)c1cnc[nH]1 2213591887 QWITVKGPVGRYCM-NKWVEPMBSA-N 256.291 0.919 10 10 CCCE CCS(=O)(=O)CNC(=O)N(C)c1ccc(N)cc1 2218531841 WMBZSWOGUQRFOJ-UHFFFAOYSA-N 271.342 0.807 10 10 CCCE CN1CC2(CCN2c2ccc(CO)c([N+](=O)[O-])c2)C1 2230316176 LALVLXXULLZXET-UHFFFAOYSA-N 263.297 0.981 10 10 CCCE O=C(CN1CC(CCCO)C1)c1ccc(O)c(O)c1 2230526667 KIVJTZGWUUEPNM-UHFFFAOYSA-N 265.309 0.985 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@@H]2[C@@H](O)C[C@H]2C1 2232789102 HKSCURWLFNXAOA-GVXVVHGQSA-N 277.320 0.870 10 10 CCCE [N-]=[N+]=N[C@@H]1CCN(C(=O)[C@@H]2[C@H](C(=O)O)[C@H]3CC[C@H]2O3)C1 2234170546 DYWZPORGJXELOX-GRDBIXFFSA-N 280.284 0.776 10 10 CCCE [N-]=[N+]=N[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CO[C@H]2COC[C@@H]12 2225796045 TWEJXUWUIKDTCV-HWUMTFDVSA-N 266.301 0.995 10 10 CCCE O=[N+]([O-])c1cc(N2C[C@@H](F)C[C@@H](O)C2)ccc1CO 2226289963 CSJVCLQZLXMNFC-GXSJLCMTSA-N 270.260 0.996 10 10 CCCE CN1CCc2cc([C@@H](O)[C@@]3(C(=O)O)C=CCN3)ccc21 2237168460 IQJPZJLGBURUFY-UKRRQHHQSA-N 274.320 0.695 10 10 CCCE N[C@@H]1C[C@H]2CC[C@H]1[C@H](NC(=O)c1cc(O)nc(O)c1)C2 2241052830 WNFJNGULEJAKLL-QCNRFFRDSA-N 277.324 0.739 10 10 CCCE C[C@H](NCc1noc(C(N)=O)n1)c1c(O)cccc1O 2285751673 YWHXKJFOPFQCOF-LURJTMIESA-N 278.268 0.431 10 10 CCCE NC[C@]12C[C@H]1CN(c1cc3c(cc1N)OCC(=O)N3)C2 2288266559 FJCMNWFXGUHEPB-RTHLEPHNSA-N 274.324 0.385 10 10 CCCE NC[C@H]1[C@@H]2C[C@@H]2CN1C(=O)Cc1ccc(O)c(O)c1 2332566361 LSMMQWJRXDFSEN-MXWKQRLJSA-N 262.309 0.446 10 10 CCCE CNCc1ccc(N2CC[C@@H]3C[C@H]2[C@@H](O)[C@H]3O)cc1 2332591100 SYXFKTVAXVBCSE-UQOMUDLDSA-N 262.353 0.726 10 10 CCCE O=C(O)C[C@H]1C[C@@H]1CNC(=O)c1cc(O)nc(O)c1 2335883871 NIJCCAIPJRTTFF-HTRCEHHLSA-N 266.253 0.333 10 10 CCCE Nc1ccc(NC(=O)N2C[C@@H]3CS(=O)(=O)[C@H]3C2)cc1 2336522226 ICLZDCLMQPNHRD-KCJUWKMLSA-N 281.337 0.530 10 10 CCCE O=C(NC[C@H]1C[C@@H]2CC[C@H]1N2)c1cc(O)c(O)c(O)c1 2356974688 AHNMXSGHBDDKLW-KXUCPTDWSA-N 278.308 0.674 10 10 CCCE NC(=O)NCC1CN(C(=O)Nc2ccc(N)cc2)C1 2130743763 UWUZIFMILRXJNL-UHFFFAOYSA-N 263.301 0.401 10 10 CCCE CCN(CC(=O)OC)C(=O)c1cccc(O)c1O 126333719 ZLBAZUVWQSERCQ-UHFFFAOYSA-N 253.254 0.733 10 10 CCCE C[C@@H]1C[C@@H](N)CN(C(=O)c2cccc(O)c2O)C1 126710724 UJNQQOYTSGOWOX-RKDXNWHRSA-N 250.298 0.907 10 10 CCCE COC[C@H](CNC(=O)c1ccc(O)c(O)c1)OC 227699339 UOZWREBIKPPUFU-VIFPVBQESA-N 255.270 0.489 10 10 CCCE CCOC(=O)CCS(=O)(=O)NCc1ccc(N)cc1 49064037 NBKNPBARYSKVET-UHFFFAOYSA-N 286.353 0.641 10 10 CCCE COC[C@@H]1[C@@H](O)[C@H](O)CN1c1ccc2c(c1)CCC2 2226748608 YGWVAYRODMFNQX-RBSFLKMASA-N 263.337 0.732 10 10 CCCE CN1CCO[C@@H](CNCc2cc(F)ccc2O)C1 226607655 KXNJOIQALBNXDE-LBPRGKRZSA-N 254.305 0.952 10 10 CCCE CCOC(=O)[C@@H](NCCN=[N+]=[N-])c1cn(C)nn1 386264220 VUFFPLDAEROXKS-QMMMGPOBSA-N 253.266 0.319 10 10 CCCE CNC[C@]1(O)CN(C)c2c(OC)cc(OC)cc21 527416407 KSVGBRYSXHIMGG-ZDUSSCGKSA-N 252.314 0.561 10 10 CCCE CNC[C@@]1(O)CN(C)c2cc3c(cc21)OCCO3 527415687 PIMCJJQCTVGWJZ-CYBMUJFWSA-N 250.298 0.315 10 10 CCCE Nc1ccc(O)c(CNC(=O)[C@@H]2Cc3nncn3C2)c1 2167747187 NDIVXSVEDHEIEM-SECBINFHSA-N 273.296 0.055 10 10 CCCE CON(CC(=O)N(C)c1ccc(N)cc1)[C@H]1CCOC1 2164738005 PKVVKTGGRXYHKE-ZDUSSCGKSA-N 279.340 0.884 10 10 CCCE CCNCc1ccc(N2CC(O)(COC)C2)c(C#N)c1 394958150 OJGPUVQTWYCTHO-UHFFFAOYSA-N 275.352 0.865 10 10 CCCE CC(C)S(=O)(=O)NC1CN(CCc2ccc(N)cc2)C1 2165625533 WYSNAEHLQLVPOG-UHFFFAOYSA-N 297.424 0.823 10 10 CCCE N[C@H](c1cc(Br)ccc1O)[C@@H](O)C(=O)O 713761170 NWBZYYJZUAOUBZ-HTQZYQBOSA-N 276.086 0.600 10 10 CCCE CON1CC[C@H](OC(=O)c2cccc(O)c2O)C1=O 922620502 SZYUBONJFVZUHZ-VIFPVBQESA-N 267.237 0.417 10 10 CCCE C[C@H](NC[C@@H](O)CS(C)(=O)=O)c1ccc(F)cc1O 927026074 POHTUDMUXYLJAV-WCBMZHEXSA-N 291.344 0.587 10 10 CCCE COc1ccc(N(C)[C@@H]2CCN(CC(=O)O)C2=O)cc1F 852726116 HSHSRWXRHVHHRD-LLVKDONJSA-N 296.298 0.956 10 10 CCCE COc1cccc(CNC(=O)[C@H](O)C2CCOCC2)c1O 769504048 UWBQSDWTEXOQPN-CQSZACIVSA-N 295.335 0.805 10 10 CCCE COC1(CCN)CN(C(=O)Nc2ccc(N)cc2)C1 1876136660 GKRXAOXJGRBLQN-UHFFFAOYSA-N 264.329 0.850 10 10 CCCE Nc1ccc(OCCC(=O)N2C[C@H]3C[C@]3(N)C2)cc1 1876484219 QWXAQCPCYIAVSQ-YGRLFVJLSA-N 261.325 0.597 10 10 CCCE CN1CC(CN(C)C(=O)Cc2ccc(O)c(O)c2)C1 1146319955 MTQSHJKUJGAZRR-UHFFFAOYSA-N 264.325 0.660 10 10 CCCE Nc1ccc(CC(=O)N[C@H](CO)C[C@H]2CCOC2)cc1 1964406594 KDKCWQYIQLDVCM-OCCSQVGLSA-N 278.352 0.715 10 10 CCCE CN(C)c1ccc2c(c1)[C@H](CN)N(CCOCCO)C2 82701811 JJBMFODUIUCNFA-HNNXBMFYSA-N 279.384 0.577 10 10 CCCE C[C@@H](c1ccc(O)cc1O)N1CC[C@@](O)(C(=O)O)C1 1891192112 AXXVDNARBRAKNR-SDBXPKJASA-N 267.281 0.680 10 10 CCCE CN1CCO[C@H](CN(C)C(=O)c2cccc(O)c2O)C1 709401370 BUKXHYVZUMOIDD-JTQLQIEISA-N 280.324 0.500 10 10 CCCE Nc1ccc(CC(=O)N2C[C@@H]3C[C@@]3(C(=O)O)C2)cc1 693245966 JZKPBUCULLXICV-IINYFYTJSA-N 260.293 0.744 10 10 CCCE CN1C(=O)[C@@H](O)c2ccc(N3C[C@H]4COC[C@H]4C3)cc21 718271497 NYPYICXUIHNGJL-RBZYPMLTSA-N 274.320 0.779 10 10 CCCE [N-]=[N+]=NCCCN[C@@]1(C(N)=O)CCCS(=O)(=O)CC1 694767276 NCWAOZWOHYJVKA-JTQLQIEISA-N 289.361 0.099 10 10 CCCE CC1(C)C(=O)NC(=O)CN1C(=O)Nc1ccc(N)cc1 97316908 HHEAVNUTQSLXEQ-UHFFFAOYSA-N 276.296 0.538 10 10 CCCE C[C@H](N[C@@H]1CCO[C@H]1C(N)=O)c1ccc(F)cc1O 2117463942 UZFNVYGZGMKBAO-HNBZJPLGSA-N 268.288 0.825 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1C[C@@H]2[C@H](CO)C[C@H]2C1 2117676543 YUNJPYPMALNGFV-GUBZILKMSA-N 264.281 0.193 10 10 CCCE CCn1cc(S(=O)(=O)NCC2(CN=[N+]=[N-])CC2)nn1 2117728580 QGKCYHKEKBKKKG-UHFFFAOYSA-N 285.333 0.667 10 10 CCCE CN(CC1[C@H]2CS(=O)(=O)C[C@H]12)c1ccc(CO)cc1 2118047085 CJHORWXCUNKYBV-ZIAGYGMSSA-N 281.377 0.906 10 10 CCCE COc1ccc(O)c([C@@H](C)NC(=O)CCc2nn[nH]n2)c1 1465993091 NPRWNBZARGMXFJ-MRVPVSSYSA-N 291.311 0.724 10 10 CCCE COc1ccc(N2C[C@H](CO)NC[C@@H]2C)c(OC)c1 217179129 BJSPMVAGYLJTBH-WDEREUQCSA-N 266.341 0.863 10 10 CCCE COc1ccc(CN[C@@H](C)CNC(=O)C(N)=O)cc1C 1480528982 IFTOWTPSCMWVGX-JTQLQIEISA-N 279.340 0.083 10 10 CCCE Cc1ccc(O)c(CNC(=O)Cc2c(O)ncnc2O)c1 1633286826 OXOJHNBQNKSMEL-UHFFFAOYSA-N 289.291 0.761 10 10 CCCE Cc1nnc(CC(=O)NCc2c(O)cccc2O)o1 1597573757 FTRBLVSOZDMPKH-UHFFFAOYSA-N 263.253 0.648 10 10 CCCE COC(=O)[C@H]1CCCN1C(=O)Cc1ccc(O)c(O)c1 1638968716 OATLTEUDUMPKJC-SNVBAGLBSA-N 279.292 0.804 10 10 CCCE CCOC(=O)NCCNC(=O)c1cc(O)c(O)c(O)c1 169911875 QNAZHPFIGOZWSL-UHFFFAOYSA-N 284.268 0.279 10 10 CCCE Nc1ccc(NC(=O)N2CCOC[C@@H]2CO)cc1 168253466 HNLLOUBRPPGFAH-NSHDSACASA-N 251.286 0.494 10 10 CCCE CNCCOCCN(C)C(=O)Nc1ccc(N)cc1 1876151118 ZAYWCHJDTXXYPI-UHFFFAOYSA-N 266.345 0.969 10 10 CCCE CON1CCN(C(=O)COc2ccc(N)cc2)CC1 1915580753 IMSHLKGQUJHCAX-UHFFFAOYSA-N 265.313 0.353 10 10 CCCE COC1(C(=O)N(C)Cc2ccccc2O)CNC1 1917739775 AJADEUGHSXQTNA-UHFFFAOYSA-N 250.298 0.339 10 10 CCCE CNC[C@@H](C)C(=O)NCCc1ccc(O)c(O)c1 1968738719 DRBBVMUHBYJOIA-SECBINFHSA-N 252.314 0.612 10 10 CCCE Cc1ccc(O)c(CNCCN2CCCS2(=O)=O)c1 113336849 FRDDFLKIOZWTAL-UHFFFAOYSA-N 284.381 0.826 10 10 CCCE CCOC(=O)[C@H](C)NC(=O)c1ccc(O)c(O)c1 227021196 SBHNULPETQJPMG-ZETCQYMHSA-N 253.254 0.779 10 10 CCCE CN(C)[C@@H]1COC[C@@H]1NS(=O)(=O)Cc1ccc(N)cc1 1922027723 MWVKBJHVFZFORQ-QWHCGFSZSA-N 299.396 0.017 10 10 CCCE COC[C@@H](C)OC[C@@H](O)CN(C)c1ccc(CN)cc1 1967635840 QFAVECZUIHHKHX-DOMZBBRYSA-N 282.384 0.994 10 10 CCCE Cn1ncnc1SC[C@H](O)COc1ccc(N)cc1 228074065 WXKOUYSBVKOXSB-SNVBAGLBSA-N 280.353 0.929 10 10 CCCE NC(=O)[C@@H](O)CNCc1ccc(N2CCCC2)cc1 228598213 QDBBCZTYTNDVJI-ZDUSSCGKSA-N 263.341 0.223 10 10 CCCE N[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)CCC1(F)F 1925140853 IPTBLCICUZXYGZ-QMMMGPOBSA-N 287.266 0.691 10 10 CCCE C[C@H]1CN(c2ccc([N+](=O)[O-])c(CO)c2)CC(=O)N1C 1926027886 VIELBNNKAZPMLZ-VIFPVBQESA-N 279.296 0.754 10 10 CCCE O=S1(=O)CCN[C@H](c2ccc(N3CCOCC3)cc2)C1 1952587938 ZRLIBKLQXWSKFU-AWEZNQCLSA-N 296.392 0.582 10 10 CCCE CC(=O)N1CCN(c2ccc([N+](=O)[O-])c(CO)c2)CC1 168743062 ZUIPUNZWKSTVEU-UHFFFAOYSA-N 279.296 0.756 10 10 CCCE NCc1ccc(N2CCC(OCC(N)=O)CC2)c(F)c1 2145380565 YHTNTWLBFVHDJE-UHFFFAOYSA-N 281.331 0.755 10 10 CCCE O=C1CCC[C@@H](CNCc2cc3c(cc2O)OCO3)N1 2145557921 LTCVLEPVUHFWKI-JTQLQIEISA-N 278.308 0.879 10 10 CCCE CNCc1ccc(N2CCOC[C@@H]2[C@H](O)CO)c(F)c1 2146334423 NCAPAIHHMSDNAK-ZIAGYGMSSA-N 284.331 0.104 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC[C@H]1CCCO1 40458649 XBBCVPALDOXDHL-MNOVXSKESA-N 280.324 0.263 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCCCC1 40458609 PXKKOHJADAPAMM-NSHDSACASA-N 264.325 0.980 10 10 CCCE C[C@@H]1CN(c2ccc3c(c2)NC(=O)[C@@H]3N)CC[C@@H]1O 166399907 WZPUIUKQDNOTQT-OXHMUOHRSA-N 261.325 0.846 10 10 CCCE [N-]=[N+]=N[C@H]1CCN(S(=O)(=O)C[C@H]2CCC2=O)C1 2008734396 RKMGLPVLXYTRST-SFYZADRCSA-N 258.303 0.680 10 10 CCCE Cc1cc(N2CC[C@@H]3C(=O)NC(=O)[C@@H]3C2)ccc1CN 2158786254 VMCUPCBTDUAOBV-QWHCGFSZSA-N 273.336 0.553 10 10 CCCE NCc1ccc(N2CC[C@](CO)(CCO)C2)c(F)c1F 2153347913 XEDBPOKYJDJJEM-AWEZNQCLSA-N 286.322 0.995 10 10 CCCE Oc1ccc(CNC[C@H]2C[C@@H](O)CCO2)c(O)c1 2036676164 NVFFBKYKSZADOV-NWDGAFQWSA-N 253.298 0.727 10 10 CCCE COCCN1CC[C@H](NC(=O)c2ccc(O)c(O)c2)C1 2160030124 GUZCOHCPLFEONX-NSHDSACASA-N 280.324 0.548 10 10 CCCE C[C@](CO)(NC(=O)CCc1ccc(N)cc1)C(=O)O 313531471 BVXSXCURUXWGMO-CYBMUJFWSA-N 266.297 0.153 10 10 CCCE CC1(C)[C@@H](CN)OCCN1C(=O)c1cccc(O)c1O 2159631000 KAVYNWNMJKBLIR-LLVKDONJSA-N 280.324 0.676 10 10 CCCE Cc1c(C(=O)NCCCN=[N+]=[N-])cnc2ncnn12 701297263 QZHNGRMCJJNXFF-UHFFFAOYSA-N 260.261 0.863 10 10 CCCE CCCS(=O)(=O)N[C@@H](C)C(=O)Nc1ccc(N)cc1 700898648 KBDZYKQRFTZPKL-VIFPVBQESA-N 285.369 0.925 10 10 CCCE CNC(=O)[C@@H]1CNCCN1Cc1cc(F)cc(F)c1O 708495509 CYMPMSPIJAMXQY-NSHDSACASA-N 285.294 0.190 10 10 CCCE CCOC(=O)[C@]1(NCCN=[N+]=[N-])CCN(CCOC)C1 393298964 WKVUZTVYPKMEBW-LBPRGKRZSA-N 285.348 0.540 10 10 CCCE C[C@H](NC(=O)Cc1ccc(N)cc1)c1ncn(C)n1 391731073 KJHYWRVVFMHPJO-VIFPVBQESA-N 259.313 0.817 10 10 CCCE O=S(=O)(Nc1ccc(O)cc1)[C@H]1CCCNC1 722212641 LJYOQNOLIGXPPE-NSHDSACASA-N 256.327 0.886 10 10 CCCE Oc1ccccc1CNC[C@@H]1CN2CCCN1CC2 394688272 IKDQKBJRUYHPGH-CQSZACIVSA-N 261.369 0.872 10 10 CCCE CC[C@@H]1CN(C[C@@H](O)COc2ccc(N)cc2)C[C@@H]1O 399901901 NNEVJYYCRJBUCC-KYOSRNDESA-N 280.368 0.711 10 10 CCCE COc1cccc(O)c1CN[C@H]1CCCNC1=O 824667274 VJGDYQVEEDHXOP-JTQLQIEISA-N 250.298 0.769 10 10 CCCE O=C(O)CN1CC(NCc2ccc3c(c2)CCCO3)C1 2169323829 WQXWZBDUGHXLFY-UHFFFAOYSA-N 276.336 0.870 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3CC(=O)NC[C@@H]3C)ccc21 2181164634 YEHBIUKTJWOZFN-SDBXPKJASA-N 274.324 0.224 10 10 CCCE CN1CCc2cc([C@H](N)[C@@H](O)[C@@H]3COCCO3)ccc21 2197278695 SFGACPMFSQUKBA-KKUMJFAQSA-N 278.352 0.455 10 10 CCCE CCNC1CC(CNC(=O)c2cc(O)c(O)c(O)c2)C1 2188914758 CMUHFKSNFQXEOF-UHFFFAOYSA-N 280.324 0.921 10 10 CCCE CCn1nnc([C@H](CN)N(C)c2ccc(OC)cc2)n1 2197849528 QTUNYMXUWZKDLE-LBPRGKRZSA-N 276.344 0.838 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)C23CCC(CC2)CN3)C1 2049783296 UGYMSPDSCIRENZ-ZGRMNFCXSA-N 250.342 0.784 10 10 CCCE CO[C@@H]1CC(C(=O)N2CC(N=[N+]=[N-])C2)C[C@H]1OC 2054459748 SYGCAMRVHUSHAX-NXEZZACHSA-N 254.290 0.948 10 10 CCCE CCO[C@@H]1C[C@H](N)[C@H]1NC(=O)CCc1ccc(N)cc1 2191748537 WRCNPJTXVARRFG-GZBFAFLISA-N 277.368 0.822 10 10 CCCE O=C(N[C@]12COC[C@H]1C2)c1cc(O)c(O)c(O)c1 2068577903 PTMBCVNVAFOYQD-JMCQJSRRSA-N 251.238 0.322 10 10 CCCE CN(CCCO)S(=O)(=O)N(C)Cc1ccccc1O 2101598370 JPWGUKRMLFKBIF-UHFFFAOYSA-N 288.369 0.383 10 10 CCCE COc1cc(N2C[C@H](F)[C@@H](CO)C2)ccc1CN 2084003401 CDDAACMDRSIQJT-PWSUYJOCSA-N 254.305 0.921 10 10 CCCE O=C1Nc2cc(N3C[C@@H]4C[C@]4(CO)C3)ccc2[C@H]1O 2090114249 SJHZSHUQQKWONS-REAQECSSSA-N 260.293 0.491 10 10 CCCE O=C(O)[C@@H]1[C@@H]2OCCN(Cc3ccc(O)c(O)c3)[C@H]21 2092847618 ZOPCVHAMHGYKJB-SRVKXCTJSA-N 265.265 0.382 10 10 CCCE CC1(C)CC[C@@H](O)CN1C(=O)c1cc(O)nc(O)c1 2099885717 QIMWNWHNCIOEJN-SECBINFHSA-N 266.297 0.868 10 10 CCCE COc1cc(N2C[C@@H](O)C[C@@H]2CN(C)C)ccc1CO 2204544324 ZVRGJHCXLRWEDA-KGLIPLIRSA-N 280.368 0.689 10 10 CCCE C[C@]1(C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])CNC(=O)C1 2218741661 OGUGGXWHLVINQF-VHSKPIJISA-N 251.290 0.860 10 10 CCCE [N-]=[N+]=N[C@@H]1CCC[C@@H]1NC(=O)CN1CSCC1=O 2218742037 FASFQLASDLYOHQ-JGVFFNPUSA-N 269.330 0.867 10 10 CCCE COc1ccc(N2C[C@H](O)[C@@H](N(C)C)C2)c(F)c1 2219607510 HXNKCQBMBGMZKX-STQMWFEESA-N 254.305 0.945 10 10 CCCE COc1ccc(N(C)CCOCCO)c(C=O)c1 2220431398 SAMBGRMTJTUCIV-UHFFFAOYSA-N 253.298 0.953 10 10 CCCE COc1ccc(N2CC(S(C)(=O)=O)C2)c(CO)c1 2220431084 SMPQBQOZYOBWHE-UHFFFAOYSA-N 271.338 0.421 10 10 CCCE Cc1cc([C@@H](C)O)ccc1N1C[C@@H](O)C[C@@H]1CO 2223979418 QBHJKNURKRIVHT-RTXFEEFZSA-N 251.326 0.980 10 10 CCCE OC[C@@]1(O)CCN(c2ccc(OC3CC3)cc2)C[C@H]1O 2235098931 LTLRCIAZMPSOQW-CABCVRRESA-N 279.336 0.522 10 10 CCCE CCNCc1cc(OC)ccc1N1CC[C@@](O)(CO)C1 2235955167 QUSYJFLCMALIRE-HNNXBMFYSA-N 280.368 0.738 10 10 CCCE Nc1ccc(OCCN2C[C@H](CO)C[C@@H](CO)C2)cc1 2236627080 FNMAPSVDVAOVBK-CHWSQXEVSA-N 280.368 0.570 10 10 CCCE C[C@H]1CN(C)[C@H](C)CN1C(=O)c1cc(O)c(O)c(O)c1 2238049854 AWUNVPZBZFHCBW-BDAKNGLRSA-N 280.324 0.968 10 10 CCCE Cc1cc([C@H](C)N)ccc1N1CC2(CNS(=O)(=O)C2)C1 2240740704 CQJMIIIWAMLONU-NSHDSACASA-N 295.408 0.754 10 10 CCCE CN[C@H](C(N)=O)[C@@H](C)N(C)c1ccc(OC)cc1 2253403843 PFGDTZYBMCRALP-SKDRFNHKSA-N 251.330 0.593 10 10 CCCE Cc1cc(N2CC[C@@H](O)[C@H](O)C2)ccc1[C@@H](C)N 2257457368 KEOODFDGGBLKPJ-LERXQTSPSA-N 250.342 0.947 10 10 CCCE CC1(CS(=O)(=O)NCCc2ccc(N)cc2)COC1 2271567451 HYVWQBWDPVYIOH-UHFFFAOYSA-N 284.381 0.767 10 10 CCCE NC(=O)[C@H]1CNCCN1c1ccc(OC(F)F)cc1 2278472545 DMQROXYIMIWYHF-SNVBAGLBSA-N 271.267 0.552 10 10 CCCE Cc1cc(N2CC[C@](O)(CO)[C@@H](O)C2)ccc1[C@@H](C)N 2285127728 FIFCGFXLRGVNPG-UGFHNGPFSA-N 280.368 0.309 10 10 CCCE Cc1cc(N2CCC[C@](O)(C(N)=O)C2)ccc1[C@@H](C)O 2285151005 XERAYXNQJBXEMQ-IAQYHMDHSA-N 278.352 0.865 10 10 CCCE NC[C@@H]1CC(F)(F)CN1C(=O)COc1ccc(N)cc1 2296411180 NYDGCWLKESKVFA-JTQLQIEISA-N 285.294 0.843 10 10 CCCE CCN1CCN(CCOc2ccc(N)cc2)C(=O)C1=O 36671608 DAQDHJHOVVKCON-UHFFFAOYSA-N 277.324 0.338 10 10 CCCE COc1ccc(N2CC([C@@H](O)CO)C2)c(C=O)c1 2315269897 DSVGOUVRIDYHKF-ZDUSSCGKSA-N 251.282 0.297 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@H]2C[C@H]3CN[C@@H]2C3)cc1 2332126893 CBCKJCUYCOFIOX-CYZMBNFOSA-N 281.381 0.439 10 10 CCCE N[C@H]1CCc2cc(N3C[C@@H]4CS(=O)(=O)[C@H]4C3)ccc21 2336473380 MFXUHLPBSSQQPR-SWHYSGLUSA-N 278.377 0.866 10 10 CCCE C[C@H](NCCCS(N)(=O)=O)c1cc(O)ccc1O 45066503 CULFSJXIKZTECB-QMMMGPOBSA-N 274.342 0.427 10 10 CCCE C[C@@](O)(CO)CNCc1cccc(Br)c1O 85250768 VPPKLYYDWARWGT-NSHDSACASA-N 290.157 0.988 10 10 CCCE Nc1ccc(OCCC(=O)N2CCOCC2)cc1 40292127 APPZLFCXHPQJIH-UHFFFAOYSA-N 250.298 0.897 10 10 CCCE O=C(N[C@@H]1C=CS(=O)(=O)C1)c1ccc(O)c(O)c1 236568040 TUITUQJCAXJHBN-MRVPVSSYSA-N 269.278 0.138 10 10 CCCE COC(=O)c1ccccc1C(=O)OCC(=O)C(C)=O 808514278 ZSZGXAVJOPBXRI-UHFFFAOYSA-N 264.233 0.788 10 10 CCCE Nc1ccc(OCC(=O)N[C@@H]2C[C@H](CO)[C@@H]3C[C@H]23)cc1 2166867297 UBJJVTAQMQZPHH-IGJVIKARSA-N 276.336 0.781 10 10 CCCE NCc1ccc(N2CCN(C(N)=O)CC2)c(F)c1F 721768731 MTAXQLVIUWCEBH-UHFFFAOYSA-N 270.283 0.624 10 10 CCCE C[C@@H](CO)CNC(=O)/C=C\c1ccc(O)c(O)c1 588404811 IMBSEOQLBWGOAY-AZVKUDOFSA-N 251.282 0.856 10 10 CCCE COc1ccc(N(CCO)C[C@@H]2CCCN2)c(N)c1 1876267239 LBCOOWLPQWFFPD-NSHDSACASA-N 265.357 0.828 10 10 CCCE C[C@@H]1CNC[C@@H]1NC(=O)CCOc1ccc(N)cc1 1876509468 PEDCNZAABLZCJE-MFKMUULPSA-N 263.341 0.762 10 10 CCCE NC[C@H]1CC[C@@H]1NC(=O)CCOc1ccc(N)cc1 1876663037 UJOXOZUGQGVCHN-MFKMUULPSA-N 263.341 0.891 10 10 CCCE C[C@H](NS(=O)(=O)c1cnn(C)n1)c1ccccc1O 1877587580 UNBNYAQVUUUNQA-QMMMGPOBSA-N 282.325 0.560 10 10 CCCE Nc1ccc(CS(=O)(=O)NCC(=O)N2CCCC2)cc1 134460666 DQSRYFYLBCXGFX-UHFFFAOYSA-N 297.380 0.311 10 10 CCCE CN(C)c1ccc(C=CC(=O)N2CC(O)(CO)C2)cc1 1963759646 BXRBCZWHNJNHFC-UHFFFAOYSA-N 276.336 0.331 10 10 CCCE COc1ccc([C@H](C(=O)O)N2C(=O)CCC2=O)c(O)c1 83587875 KAJZNIQSEWPPBM-GFCCVEGCSA-N 279.248 0.676 10 10 CCCE CC(C)(CO)c1nnc([C@H](N)c2ccc(O)c(O)c2)o1 83588886 SOCOYEDHLLYUOV-SNVBAGLBSA-N 279.296 0.799 10 10 CCCE [N-]=[N+]=NCCCN1CC(=O)N2CCCC[C@@H]2C1=O 94459233 KRABDAVTZCVIOX-SECBINFHSA-N 251.290 0.910 10 10 CCCE CC[C@H](O)c1ccc(N2CC(O)(C(=O)OC)C2)cc1 714483921 WQQYZTQTMUYIPE-LBPRGKRZSA-N 265.309 0.854 10 10 CCCE COc1ccc(O)c(CNC[C@@H](O)CN(C)C)c1 717361850 YTWHTCKCEOGHCI-LLVKDONJSA-N 254.330 0.413 10 10 CCCE CN(C)c1ccc(CN2CCNC[C@@H]2C(N)=O)cc1 88659371 GRMJGHOTXOHSLI-CYBMUJFWSA-N 262.357 0.012 10 10 CCCE NC(=O)[C@H](NC(=O)c1cccc(O)c1O)C1CC1 1965175462 NUMCWEIPIYZFKW-SECBINFHSA-N 250.254 0.092 10 10 CCCE C[C@@H](c1c(O)cccc1O)N(C)C1(C(=O)O)COC1 2116492924 KLERPKBWEUCRIA-QMMMGPOBSA-N 267.281 0.944 10 10 CCCE C[C@H](COCC(=O)O)NC(=O)c1ccc(O)c(O)c1 2117489001 FPWPKSPGGNYYSV-SSDOTTSWSA-N 269.253 0.317 10 10 CCCE O=C(NC[C@@H]1C[C@H]2CC[C@H]1N2)c1cccc(O)c1O 2117670590 AUZQWSVECPVMOI-IQJOONFLSA-N 262.309 0.968 10 10 CCCE O=C(O)CCC(=O)C(=O)c1ccc2oc(=O)[nH]c2c1 216963105 LZOXMYHEGVDWJN-UHFFFAOYSA-N 263.205 0.738 10 10 CCCE CCOc1ccc(N2[C@@H](C)CNC(=O)[C@@H]2CO)cc1 217090604 SXNHYPHKDXNVRJ-GWCFXTLKSA-N 264.325 0.771 10 10 CCCE O=C1C[C@]2(CCN(C(=O)Cc3ccc(O)c(O)c3)C2)CN1 1467616117 FRHPZFJLGKTSRP-OAHLLOKOSA-N 290.319 0.379 10 10 CCCE CNCc1ccc(N2CC3(CNC(=O)N3)C2)c(C)c1 2121212607 BUPKEVAXKJXZBQ-UHFFFAOYSA-N 260.341 0.586 10 10 CCCE Nc1ccc(OCC(=O)NC[C@@H]2OCC[C@H]2F)cc1 2122524520 JJKZWZKJXSXIDL-NEPJUHHUSA-N 268.288 0.891 10 10 CCCE O=C(/C=C\c1ccc(O)c(O)c1)N1C[C@@H](CO)[C@@H](CO)C1 1636129255 CTHIMQNKOLZGSE-AGQFFEFTSA-N 293.319 0.170 10 10 CCCE CS(=O)(=O)CCC(=O)NCc1ccc(O)cc1O 1638351712 CVSRGUZTWPASNQ-UHFFFAOYSA-N 273.310 0.149 10 10 CCCE O=C(NCc1c(O)cccc1O)c1csnn1 1645360606 FIICONYCYSMCBN-UHFFFAOYSA-N 251.267 0.879 10 10 CCCE [N-]=[N+]=NC[C@H]1CCN(S(=O)(=O)c2cccnn2)C1 1912191222 OQUFXVOGFRICNE-MRVPVSSYSA-N 268.302 0.798 10 10 CCCE Cc1nnn(NC(=O)Cc2ccc(O)c(O)c2)c1C 1651165408 VMDHYGKXZOVZIG-UHFFFAOYSA-N 262.269 0.619 10 10 CCCE O=C(CCn1cnccc1=O)NCc1c(O)cccc1F 1652298962 WFCQYYCNJWEXTK-UHFFFAOYSA-N 291.282 0.795 10 10 CCCE CN(C)C(=O)/C=C/C(=O)NCCc1ccc(O)c(O)c1 1595751519 JLSSSJDMKNFCOG-AATRIKPKSA-N 278.308 0.401 10 10 CCCE CC(C)(CNC(=O)Cc1ccc(O)c(O)c1)OCCO 1641993820 XUVKUKCDOOTLNK-UHFFFAOYSA-N 283.324 0.544 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@H]2CCN3CCC[C@@H]23)cc1 219203258 KTOYGSPYNUNJEG-KBPBESRZSA-N 295.408 0.925 10 10 CCCE NC(=O)[C@]1(O)CCN(c2ccc3c(c2)CC[C@@H]3N)C1 2128325484 TUCMFEAIWOIWNY-JSGCOSHPSA-N 261.325 0.059 10 10 CCCE CNCc1ccc(N2CCOC[C@H]2C(=O)NC2CC2)cc1 160161780 XKNSLQJGSWSHFT-HNNXBMFYSA-N 289.379 0.890 10 10 CCCE O=C(NCC[C@H]1CCCN1)c1cc(O)nc(O)c1 166711636 LDJFECLEUSIDFY-SECBINFHSA-N 251.286 0.365 10 10 CCCE C[C@H](C(=O)NCc1cc(N)ccc1O)S(C)(=O)=O 167829868 SUAOAQHUCIDPCX-SSDOTTSWSA-N 272.326 0.024 10 10 CCCE CC(=O)N1CCN(CC(=O)Nc2ccc(N)cc2)CC1 22213700 CIPOKHNWSXVCGT-UHFFFAOYSA-N 276.340 0.371 10 10 CCCE O=C(N[C@@H](C(=O)O)C1CC1)c1cc(O)c(O)c(O)c1 2132348629 PJWLQSSGZDFTOF-SECBINFHSA-N 267.237 0.396 10 10 CCCE N[C@@H]1CCCc2cc(N3CC[C@H](O)[C@@H](O)C3)ccc21 2132139162 YHOHJLYNQYXABY-ILXRZTDVSA-N 262.353 0.955 10 10 CCCE CN1CC(CN2CCN(c3ccc(N)cc3)CC2)C1 2134883474 MJCZRXVLABUCRS-UHFFFAOYSA-N 260.385 0.952 10 10 CCCE CC1(C(N)=O)CN(c2cc3c(cc2Cl)[C@@H](O)C(=O)N3)C1 1914224588 XFZAQFFOOIMTGF-SNVBAGLBSA-N 295.726 0.637 10 10 CCCE Cc1cccc(CNC(=O)C2=NNC(=O)CC2)c1O 2139751216 RDPYELBSYSSFDF-UHFFFAOYSA-N 261.281 0.583 10 10 CCCE CN(C)[C@H]1COC[C@@H]1Nc1c(N)cccc1C(N)=O 1922028983 CHWPJGAFPSRFJW-QWRGUYRKSA-N 264.329 0.109 10 10 CCCE O=S1(=O)CC[C@@H](CNCc2cccc(Cl)c2O)N1 1967791500 BFFNILWFALHJGA-VIFPVBQESA-N 290.772 0.827 10 10 CCCE C[C@](O)(CO)[C@@H]1CCN(c2ccc(CN)c(F)c2)C1 2138105562 VVHDGIMKJYOFFQ-RISCZKNCSA-N 268.332 0.854 10 10 CCCE C[C@@]1(C(=O)NCCc2ccc(N)cc2)CNC(=O)C1 1969320284 GWXFNCJBYMVPKS-AWEZNQCLSA-N 261.325 0.454 10 10 CCCE Nc1ccc(CCNC(=O)C2COCCOC2)cc1 2138820685 VUMPYNCKNGNBJT-UHFFFAOYSA-N 264.325 0.591 10 10 CCCE CO[C@@H](CCNC(=O)Cc1ccc(O)c(O)c1)C(=O)O 2144017430 AQUDTEKBCABMIR-NSHDSACASA-N 283.280 0.246 10 10 CCCE COc1cc(CC2(C(=O)O)CNC2)cc(O)c1O 1952236271 LGLOBPGTDFVKLF-UHFFFAOYSA-N 253.254 0.323 10 10 CCCE COC(=O)[C@@H](N)[C@@H](Cc1ccc(O)c(O)c1)OC 1952307442 ZMRISTBNGVOGNS-MNOVXSKESA-N 255.270 0.156 10 10 CCCE CC(=O)C(=O)[C@@](C)(O)[C@H]1CCN1C(=O)OC(C)(C)C 1953608137 DVEWUCKLKZZGQK-RNCFNFMXSA-N 271.313 0.905 10 10 CCCE CON(C)C1CN(c2ccc3c(c2)N(C)C(=O)[C@H]3N)C1 2144644943 QNYIAXRTNRKZTC-ZDUSSCGKSA-N 276.340 0.345 10 10 CCCE CC(C)[C@H](NC(N)=O)C(=O)N(C)Cc1ccc(N)cc1 2148895229 XWLVLURNRQTTHA-LBPRGKRZSA-N 278.356 0.920 10 10 CCCE Nc1ccc(O)c(CNS(=O)(=O)N2C[C@@H]3CC[C@H]3C2)c1 2149339001 OEZAYNSGWFYPBT-UWVGGRQHSA-N 297.380 0.651 10 10 CCCE Nc1ccc(OCCC(=O)N2CC(N3CCC3)C2)cc1 2152248464 NGTJAHFSAPWXSO-UHFFFAOYSA-N 275.352 0.954 10 10 CCCE C[C@H]1CCC[C@]1(NC(=O)c1cc(O)nc(O)c1)C(=O)O 2149441359 CEBAHVAEEREOTG-WPPNPWJKSA-N 280.280 0.866 10 10 CCCE CN(C)CCN(CCO)C(=O)CCc1ccc(N)cc1 2155579370 VLWMXGNCAJEQGS-UHFFFAOYSA-N 279.384 0.584 10 10 CCCE CN(C)c1ccc(CNS(=O)(=O)N2CC[C@@H](O)C2)cc1 2160482600 WSWAECPZLQHQQO-CYBMUJFWSA-N 299.396 0.154 10 10 CCCE C[C@@H](NC(=O)c1cc(O)nc(O)c1)[C@H]1CCNC1 2026902031 SHMUBFLJSYULSP-SFYZADRCSA-N 251.286 0.221 10 10 CCCE COCCNS(=O)(=O)N1CCC[C@H](N=[N+]=[N-])CC1 2038001379 AVRCJVVRMXQSSK-VIFPVBQESA-N 277.350 0.632 10 10 CCCE CC[C@H]1N[C@H](c2ccc(O)c(O)c2)C(=O)NC1=O 310985118 KIBZPYGEKCQBAG-GMSGAONNSA-N 250.254 0.164 10 10 CCCE COc1ccc(N2CC[C@@H]([C@@H](N)CO)C2)cc1OC 250438349 GZYKTMLPBMUPEB-PWSUYJOCSA-N 266.341 0.850 10 10 CCCE NC(=O)N1CCC(Nc2c(N)cccc2C(=O)O)CC1 393298308 WEMRQMRUKKHTAF-UHFFFAOYSA-N 278.312 0.922 10 10 CCCE CC1(C)CNCC[C@@H]1NC(=O)c1cc(O)nc(O)c1 381233633 TVAGHGYROLRYNJ-VIFPVBQESA-N 265.313 0.611 10 10 CCCE NC(=O)CC1CN(CC(=O)Nc2ccc(N)cc2)C1 382261254 HKKDHJSCZWPNQW-UHFFFAOYSA-N 262.313 0.015 10 10 CCCE C[C@@H](c1ccccc1O)N1CCOC[C@]1(CN)CO 693934248 PDUVHAGNFMQZSD-FZMZJTMJSA-N 266.341 0.475 10 10 CCCE C[C@@]1(CO)C[C@H](O)CN1c1c(F)cc(CO)cc1F 698158755 WJGYHWZNKGYALR-ZANVPECISA-N 273.279 0.779 10 10 CCCE CNC(=O)[C@H]1CCN(c2ccc(CN)c(F)c2F)C1 398503090 ITRNWNZQAUONDB-VIFPVBQESA-N 269.295 0.996 10 10 CCCE CN(CC[S@@](C)=O)c1ccc(CN)cc1C#N 399103625 TVPIKAGJOFODBM-QGZVFWFLSA-N 251.355 0.832 10 10 CCCE C[C@@H]1CC[C@H](O)CN1c1ccc2c(c1)NC(=O)[C@@H]2N 399493327 UQDDSGGTDLSDRG-DFAYQTQMSA-N 261.325 0.988 10 10 CCCE CN(C)C1(C)CN(C(=O)c2cccc(O)c2O)C1 1148218835 MZMYZZMHYUIBPD-UHFFFAOYSA-N 250.298 0.874 10 10 CCCE NC(=O)[C@@]1(O)CCN(c2ccc3c(c2)CCC[C@@H]3O)C1 2184691849 UAKWRBVSYUEMPH-DZGCQCFKSA-N 276.336 0.483 10 10 CCCE COC[C@@H](N[C@@H](C)c1cc(OC)ccc1O)C(N)=O 2096066455 RXPBVWBYCYRIJY-GZMMTYOYSA-N 268.313 0.552 10 10 CCCE Cn1cc(C[C@@](C)(NCCN=[N+]=[N-])C(N)=O)cn1 2041831011 LKQBUZWXJROISG-SNVBAGLBSA-N 251.294 0.107 10 10 CCCE COc1cccc(O)c1CNCCCS(N)(=O)=O 2042570252 KJBBXWOTGNZTSM-UHFFFAOYSA-N 274.342 0.169 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@@H]3CC[C@H](N)[C@H]3C2)cc1 2191775035 XLIZQHRIFHAUFG-UBHSHLNASA-N 295.408 0.768 10 10 CCCE CN[C@H](c1ccccc1O)[C@](C)(O)CS(C)(=O)=O 2050965871 TYUMTDKZYNPPHX-VXGBXAGGSA-N 273.354 0.448 10 10 CCCE Nc1ccc(CCC(=O)N2CCO[C@@H]3COC[C@@H]32)cc1 2192660849 GKRLLKVTQTXHCS-UONOGXRCSA-N 276.336 0.828 10 10 CCCE [N-]=[N+]=N[C@@H]1CCCN(CCOCCOCCO)C1 2064410093 LXDBWEHNPVAWKF-LLVKDONJSA-N 258.322 0.787 10 10 CCCE Nc1ccc(CC(=O)N[C@H](C(=O)O)C2(O)CCC2)cc1 2188000817 WPOQFHXQFUPDOD-GFCCVEGCSA-N 278.308 0.296 10 10 CCCE N[C@H]1CC(C(=O)N(CC(=O)O)c2ccccc2)=C[C@H]1O 2188022041 OXLPBQIWTBOQQD-NWDGAFQWSA-N 276.292 0.123 10 10 CCCE C[C@H](CNC(=O)c1cc(O)c(O)c(O)c1)N(C)C 2068568532 XOSHZGNFUKGZLX-SSDOTTSWSA-N 254.286 0.483 10 10 CCCE CC[C@@H](N)[C@@H](C)NC(=O)c1cc(O)c(O)c(O)c1 2068623840 KNMOLKIHIPIRRX-HTRCEHHLSA-N 254.286 0.659 10 10 CCCE C[C@H]1NCC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2068619335 YICDBOSMOUEXLG-HTRCEHHLSA-N 252.270 0.284 10 10 CCCE O=[N+]([O-])c1cc(N2C[C@H](CO)C[C@H]2CO)ccc1CO 2188577649 UNMHEXGUMLXFCY-SKDRFNHKSA-N 282.296 0.267 10 10 CCCE C[C@@H]1CN(S(=O)(=O)Cc2ccc(N)cc2)C[C@H]1N 2071574608 OQRJJRSNUPNUIY-BXKDBHETSA-N 269.370 0.378 10 10 CCCE C[C@]1(O)CCN(c2ccc(CO)c([N+](=O)[O-])c2)C[C@@H]1O 2197957510 BVFSOQFIBAMVGL-STQMWFEESA-N 282.296 0.409 10 10 CCCE C[C@@]1(O)CCN(CCCOc2ccc(N)cc2)C[C@@H]1O 2197968674 VWJCMGLNBPVWSU-LSDHHAIUSA-N 280.368 0.855 10 10 CCCE C[C@H]1CN(C)CCN(C(=O)c2cc(O)c(O)c(O)c2)C1 2188875229 OZERSVGAAUJLLD-VIFPVBQESA-N 280.324 0.827 10 10 CCCE CN(C(=O)Cc1ccc(N)cc1)[C@@H]1CN2CC[C@H]1C2 2102509876 ODGAGEUPJAWRNZ-GXTWGEPZSA-N 259.353 0.974 10 10 CCCE Cc1cccc(CNC(=O)[C@H](N)CN(C)C)c1O 2084057701 XLZJTCPJQFEZCQ-LLVKDONJSA-N 251.330 0.206 10 10 CCCE COCCN(CCO)c1ccc(CN)c(OC)c1 2084003840 GLIVGWMIOOZKGC-UHFFFAOYSA-N 254.330 0.599 10 10 CCCE CN(CC(=O)N1CCOC1=O)c1ccc(CN)cc1 2104972391 MUQDERWQQNSEHG-UHFFFAOYSA-N 263.297 0.560 10 10 CCCE CCOc1ccc(N2C[C@@H](N)C[C@@H](C(N)=O)C2)cc1 2106381933 HTSUCYZEYLKHKJ-MNOVXSKESA-N 263.341 0.724 10 10 CCCE CN(C)c1ccc([C@H](N)[C@@H](O)c2cn(C)nn2)cc1 2106850328 HSIKKELIOQNJAG-STQMWFEESA-N 261.329 0.615 10 10 CCCE O=C(N[C@H]1CCC[C@@H]1CCO)c1cc(O)nc(O)c1 2090564250 QALJRUCJIFTITD-SCZZXKLOSA-N 266.297 0.774 10 10 CCCE COc1ccc(N2CCNC[C@@H]2CO)c([N+](=O)[O-])c1 2095829742 VJWDSFVEVXOLRY-SECBINFHSA-N 267.285 0.374 10 10 CCCE CN1CC2(C1)CN(c1ccc(CO)cc1[N+](=O)[O-])C2 2095931315 NLLAFIBNTPOLIR-UHFFFAOYSA-N 263.297 0.839 10 10 CCCE NC1CN(C2CCN(Cc3ccccc3O)CC2)C1 2225073437 KSTPLRFYMGSECR-UHFFFAOYSA-N 261.369 1.000 10 10 CCCE COc1ccc(N2CCN(C3CC3)C(=O)C2)c(CN)c1 2235959129 NXDOVHMCTMRGPV-UHFFFAOYSA-N 275.352 0.965 10 10 CCCE COc1ccc(N2CCN3C(=O)NC[C@H]3C2)c(CN)c1 2235965971 LNHSTJLSWMLGFZ-NSHDSACASA-N 276.340 0.368 10 10 CCCE COCCOCCOCC(=O)N1CCC[C@@H]1CN=[N+]=[N-] 2236047466 XYJWKRSRQFJCHB-LLVKDONJSA-N 286.332 0.967 10 10 CCCE Nc1ccc(CN2C[C@H]3[C@H](C2)[C@H]2C[C@H]3[C@H](O)[C@H]2O)cc1 2237074140 VINKMJIAVFSEEG-JQOWZUPLSA-N 274.364 0.688 10 10 CCCE COc1ccc(N2CCC[C@@H]2[C@H](O)CO)c(CN)c1 2227684764 YEVZNFPUMNKLDZ-ZIAGYGMSSA-N 266.341 0.476 10 10 CCCE COc1ccc(N2C[C@@H]3[C@H](C(N)=O)[C@@H]3C2)c(CN)c1 2227682542 IMMAWBLIAAAOPD-PTEHBNRSSA-N 261.325 0.321 10 10 CCCE COc1ccc(N(C)CCn2cncn2)c(CN)c1 2227678529 XFTQRLGRXDUYGZ-UHFFFAOYSA-N 261.329 0.882 10 10 CCCE CN(C)c1ccc(O[C@@]2(C(=O)O)COC[C@H]2N)cc1 2229373455 MBDUEAYBEMNUBE-YPMHNXCESA-N 266.297 0.312 10 10 CCCE Nc1ccc(OC[C@H](O)CN2CC[C@]3(O)C[C@@H]3C2)cc1 2279959338 ZXMATFOIASKXIN-KYOSRNDESA-N 278.352 0.465 10 10 CCCE CN(C)CCN(CCN)C(=O)CCc1ccc(N)cc1 2280548178 HTGMMOHPJQQQEV-UHFFFAOYSA-N 278.400 0.550 10 10 CCCE CSc1ncc(CNC(=O)[C@H](N)CC(=O)O)s1 2248610565 MHNWNDGDQHQDHS-ZCFIWIBFSA-N 275.355 0.283 10 10 CCCE OCCC1(O)CN(c2ccc(CNC3CC3)cc2)C1 2270664337 IXNHSTKSMGRZRL-UHFFFAOYSA-N 262.353 0.872 10 10 CCCE OC[C@@H]1CN(c2ccc(OCF)cc2)C[C@H](O)[C@@H]1O 2278515829 SWXZJADUGKMCGZ-TVYUQYBPSA-N 271.288 0.143 10 10 CCCE Cc1cc(N2CC[C@](O)(CO)[C@@H](O)C2)ccc1[C@@H](C)O 2285168128 ZBFBEFQUQKFZPU-UGFHNGPFSA-N 281.352 0.343 10 10 CCCE C[C@H](N)c1ccc(N2C[C@@H]3OCC[C@]3(CO)C2)cc1O 2296351356 XLRMZPJXZNFZMJ-NZVBXONLSA-N 278.352 1.000 10 10 CCCE CCS(=O)(=O)N(C)NCc1cccc(F)c1O 2301559831 OJNAQCISVBZKPZ-UHFFFAOYSA-N 262.306 0.817 10 10 CCCE O=S1(=O)C[C@@H]2CN(Cc3ccc(F)cc3O)C[C@@H]21 2314965447 VBGGMZFRQSOXHP-CABZTGNLSA-N 271.313 0.760 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3CC[C@@H]4[C@@H](O)C[C@@H]43)ccc21 2330894693 ANNUEXJYXCYLND-XYJRDEOASA-N 259.309 0.598 10 10 CCCE Nc1ccc(OCC(=O)N2C[C@@H]3C[C@H]2[C@@H]3CO)cc1 2333101409 PSXZEGMCOZDXBQ-BIMULSAOSA-N 262.309 0.487 10 10 CCCE CS(=O)(=O)[C@H](C(=O)NCc1ccc(N)cc1)C1CC1 2335949001 FNEHOILGIOSYDS-LBPRGKRZSA-N 282.365 0.708 10 10 CCCE NCc1ccc(N2C[C@@H](O)C[C@@H](O)C2)cc1C1CC1 2339155125 GNHWSBAACSPHJQ-OKILXGFUSA-N 262.353 0.955 10 10 CCCE Nc1ccc(CC(=O)N2C[C@H]3C[C@H](O)[C@@H](O)[C@@H]2C3)cc1 2355345908 LIGVFKVWLFORJB-HTUGSXCWSA-N 276.336 0.154 10 10 CCCE COCCCNC(=O)[C@@]12CC[C@@H](C(=O)C1=O)C2(C)C 101103568 FOCAMYSFZXGZLF-LKFCYVNXSA-N 267.325 0.714 10 10 CCCE CCCn1nnc(/N=N\c2nnn(CCC)n2)n1 59520187 VVCRDVSNEFXLHM-KTKRTIGZSA-N 250.270 0.895 10 10 CCCE COCCNC(=O)[C@H](C)N(C)c1ccc(N)cc1 20422598 PAVNXWMFYKFVKN-JTQLQIEISA-N 251.330 0.856 10 10 CCCE C[C@@H](O)c1ccc(N2CC[C@@H]3C[C@H]2[C@@H](O)[C@H]3O)cc1O 2357590245 ZKGFDECSDZJBSY-OJACKCGHSA-N 279.336 0.766 10 10 CCCE Nc1ccc(OCCN2CC[C@@H]3C[C@H]2[C@H](O)[C@H]3O)cc1 2357596553 JFHHPGQCFNMJMG-KJEVXHAQSA-N 278.352 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10 10 CCCE CN(CC1[C@@H]2COC[C@@H]12)c1ccc2c(c1)NC(=O)[C@@H]2N 2174643597 MQYGULOFCMIWRR-SGMGOOAPSA-N 273.336 0.967 10 10 CCCE CC1CC(NC(=O)c2cc(O)c(O)c(O)c2)(C(=O)O)C1 2188874874 LQYDANFGQCCNFA-UHFFFAOYSA-N 281.264 0.787 10 10 CCCE Cc1nc(CN(C)C(=O)c2cc(O)c(O)c(O)c2)n[nH]1 2188868445 RFDSREUFXRPSJB-UHFFFAOYSA-N 278.268 0.502 10 10 CCCE NCc1cc(F)c(N2C[C@@H]3C[C@H](C2)[C@H](O)[C@@H]3O)c(F)c1 2182556458 ZJWPACUXMSFRFD-LPQAMYBRSA-N 284.306 0.601 10 10 CCCE C[C@H]1C[C@@H](CNC(=O)c2cc(O)c(O)c(O)c2)CCN1 2188920676 XIZSISHVSVBKGC-IUCAKERBSA-N 280.324 0.921 10 10 CCCE CN(Cc1ccc(N)cc1)[C@@H]1CN(C2CC2)C[C@@H]1O 2100720516 DGEIZWZQAUGLSN-CABCVRRESA-N 261.369 0.908 10 10 CCCE CC[C@H]1C(=O)NC(=O)CN1c1ccc2c(c1)CC[C@H]2O 2184729270 HKOXPZNIPRLYPK-QWHCGFSZSA-N 274.320 0.908 10 10 CCCE [N-]=[N+]=N[C@H]1CCN(C[C@@H](O)CN2CCCC2=O)C1 2050537973 KCAJWGBLXNBNGM-VHSXEESVSA-N 253.306 0.354 10 10 CCCE COc1cccc(O)c1CN[C@H]1COC[C@H]1OC 2057141083 GNSMAKDGYGFUQF-GXFFZTMASA-N 253.298 0.904 10 10 CCCE [N-]=[N+]=NCC1(CNS(=O)(=O)C[C@H]2CCC2=O)CC1 2057985475 KUEREPARJAJABX-MRVPVSSYSA-N 272.330 0.975 10 10 CCCE C[C@@H](O)c1cc(F)c(N(C)[C@@H]2CC(=O)NC2=O)c(F)c1 2194524641 QKELJSCRFKZKHK-LHLIQPBNSA-N 284.262 0.869 10 10 CCCE [N-]=[N+]=NCCN[C@@]1(C(N)=O)COC2(CCCC2)C1 2058592706 ZQFCYPUFUXNXTO-LLVKDONJSA-N 253.306 0.844 10 10 CCCE C[C@@H](Cn1cnnc1)NCc1cc2c(cc1O)OCO2 2186701819 BDQAWNDXKNLDOV-VIFPVBQESA-N 276.296 0.891 10 10 CCCE C[C@@]12CNC[C@H]1CN(S(=O)(=O)Cc1ccc(N)cc1)C2 2191765808 NZSIWJLUJRMSLR-JSGCOSHPSA-N 295.408 0.640 10 10 CCCE COCCN1C[C@H](O)[C@H](N(C)c2ccc(N)cc2)C1 2100732795 AKSNDNKBADFAIS-KGLIPLIRSA-N 265.357 0.397 10 10 CCCE C[C@H]1CNC[C@@H](C)N(C(=O)c2cc(O)nc(O)c2)C1 2102883905 JQGNOODPEVAAKY-DTWKUNHWSA-N 265.313 0.563 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CCN[C@@H]2CC[C@H]21 2112062011 OJMDOWIGXPSCAI-GHMZBOCLSA-N 262.309 0.603 10 10 CCCE CCOC(=O)[C@@](C)(CS(=O)(=O)CC)NCCN=[N+]=[N-] 2114115931 RFTXMHTZJJCWCS-SNVBAGLBSA-N 292.361 0.643 10 10 CCCE 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271.288 0.037 10 10 CCCE C[C@@H](c1ccc(O)cc1O)N1CCOCC12CNC2 2111335568 GRDVNYDIOZYURN-JTQLQIEISA-N 264.325 0.833 10 10 CCCE Nc1cc(O)ccc1NS(=O)(=O)N1C[C@H]2CC[C@@H]2C1 2092890005 HYNVAMOAMGIZIV-RKDXNWHRSA-N 283.353 0.973 10 10 CCCE C[C@@]1(O)CN(c2ccc(CO)cc2[N+](=O)[O-])CC[C@H]1O 2201543422 KSEIXKSYUKEHIV-CHWSQXEVSA-N 282.296 0.409 10 10 CCCE C[C@@H](NS(=O)(=O)Cc1ccc(N)cc1)c1cnn[nH]1 2112751706 JXNYAZULXIZUQT-MRVPVSSYSA-N 281.341 0.568 10 10 CCCE CNCc1ccc(N2CC[C@@H](O)[C@@](C)(O)C2)cc1OC 2204553567 LOVQBZQOSJHIQE-CABCVRRESA-N 280.368 0.737 10 10 CCCE COC[C@@H]1[C@H](O)[C@H](O)CN1c1ccc([C@H](C)O)c(O)c1 2233878107 CYNPAFWIQLFAHP-RHBIEUIISA-N 283.324 0.002 10 10 CCCE Cc1cc([C@H](C)O)ccc1N1C[C@@H](O)C[C@@H]1CO 2223975610 QBHJKNURKRIVHT-UHTWSYAYSA-N 251.326 0.980 10 10 CCCE OC[C@]12CN(c3ccc4c(c3)COCC4)C[C@@]1(CO)C2 2235068844 GEHYYNVNHSKPTM-IYBDPMFKSA-N 275.348 0.940 10 10 CCCE COc1ccc(N2C[C@@H]3CN[C@@H](CO)[C@H]3C2)c(N)c1 2227312870 NYBLLLGGQQHEEE-GAFUQQFSSA-N 263.341 0.294 10 10 CCCE COCCNCc1cc(OC)ccc1N1CC(O)C1 2227674075 TZEDGQPPNAKZOB-UHFFFAOYSA-N 266.341 0.612 10 10 CCCE Nc1ccc(N2CCN(Cc3nc[nH]n3)C2=O)cc1 2228427503 IAPNVUYAKYSIBM-UHFFFAOYSA-N 258.285 0.829 10 10 CCCE O=C1CCC2(CN(c3c(F)cc(CO)cc3F)C2)N1 2229684454 QOGQYKSXKCORSJ-UHFFFAOYSA-N 268.263 0.926 10 10 CCCE O=c1c2c(ccn1C[C@H](F)[C@H]1CCOC1)CCNC2 2229987215 VOBXETAGWLTDHC-AAEUAGOBSA-N 266.316 0.869 10 10 CCCE CNCc1ccc(N2CC[C@H]2[C@H](O)CO)c(C)c1 2258334833 AEQDMYFYAPFQGV-UONOGXRCSA-N 250.342 0.646 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)C[C@@H]2CNCC23CC3)C1 2261045747 HDUKODQOMLPUHF-GMTAPVOTSA-N 250.342 0.642 10 10 CCCE NC[C@]12C[C@@H]1CN(c1cc3c(cc1N)OCCO3)C2 2272656181 VJNFAFYSXODMHU-OTYXRUKQSA-N 261.325 0.825 10 10 CCCE CC(C)C[C@@H](NCc1ccc(O)c(O)c1O)C(N)=O 2264462049 XVAYTGOPUZFQJF-SECBINFHSA-N 268.313 0.793 10 10 CCCE NC[C@@]12CCO[C@H]1CN(C(=O)c1ccc(O)c(O)c1)C2 2296390274 AKZRWRJFXZPIOC-GXTWGEPZSA-N 278.308 0.288 10 10 CCCE NCc1ccc(N2CC([C@H](O)CO)C2)c(F)c1F 2315270416 OBDFGDURRAMMQJ-SNVBAGLBSA-N 258.268 0.213 10 10 CCCE Nc1ccc(OCC(=O)N[C@H]2[C@@H]3CCCO[C@@H]32)cc1 2330683016 ALELNDHPDYIQEI-UBHSHLNASA-N 262.309 0.941 10 10 CCCE Cc1cc(N2C[C@H]3CS(=O)(=O)[C@H]3C2)ccc1CCN 2336562062 XRCFCXQLWOCDHR-JSGCOSHPSA-N 280.393 0.729 10 10 CCCE CN[C@@H](C)c1ccc(N2CC([C@@H](O)CO)C2)c(F)c1 2336781451 VLLNBROAMWAGPG-XPTSAGLGSA-N 268.332 0.896 10 10 CCCE NCc1ccc(N2CC([C@@H](O)CO)C2)cc1C1CC1 2339164127 TZWOHAJSDDBVNE-HNNXBMFYSA-N 262.353 0.812 10 10 CCCE CN(C)C[C@@H](O)CN1CCc2cc(O)c(O)cc2C1 2341216615 NRIYJHOFARJHJY-GFCCVEGCSA-N 266.341 0.378 10 10 CCCE CN(C(=O)c1cc(O)c(O)c(O)c1)[C@H]1CNC[C@H]1F 2343617729 FKVCFEMUFQYZHG-SFYZADRCSA-N 270.260 0.185 10 10 CCCE CSc1cc(N2C[C@@H]3C[C@H]2[C@H](O)[C@H]3O)ccc1CN 2353848641 MRKZALGTSCCYSN-RETIQXCHSA-N 280.393 0.798 10 10 CCCE Nc1ccc(CC(=O)N2CCC(OCC(=O)O)CC2)cc1 111797565 HAMLOZYRACMQMC-UHFFFAOYSA-N 292.335 0.904 10 10 CCCE CN(C[C@H]1[C@@H]2CCO[C@@H]21)C(=O)c1cc(O)c(O)c(O)c1 2356975138 MWKDGHKOCXELSX-RVBZMBCESA-N 279.292 0.910 10 10 CCCE CCN(C(=O)CS(C)(=O)=O)c1ccc(N)cc1 70127454 LYTNKEYUNBWIGY-UHFFFAOYSA-N 256.327 0.666 10 10 CCCE CCCN(CCO)C[C@@H](O)COc1ccc(N)cc1 48917780 HWYAURXDSOPCLA-CYBMUJFWSA-N 268.357 0.713 10 10 CCCE Nc1ncnc2[nH]c([C@@H](N)Cc3ccc(O)c(O)c3)nc12 229666359 WZLFBASVJDKOTN-ZETCQYMHSA-N 286.295 0.589 10 10 CCCE C[C@]1(NC(=O)CCc2ccc(N)cc2)CCS(=O)(=O)C1 44882864 FUFOMFVDXOLKEO-AWEZNQCLSA-N 296.392 0.895 10 10 CCCE CC(=O)C(=O)COC(=O)c1ccnc(O[C@@H]2CCOC2)c1 808537257 VBVOUVCSIQEODT-LLVKDONJSA-N 293.275 0.564 10 10 CCCE CCN[C@@H](c1ccc2c(c1)CCN2C)c1nnnn1C 2164252553 PZLBLFQPJHZOLF-ZDUSSCGKSA-N 272.356 0.901 10 10 CCCE C[S@](=O)CC1CN(c2cc3c(cc2F)[C@H](O)C(=O)N3)C1 2166650681 JNQZQJFMGNPYDO-YUNKPMOVSA-N 298.339 0.626 10 10 CCCE CO[C@H](C)[C@@H](CC(=O)O)NC(=O)Cc1ccc(N)cc1 2165771186 CNKKJLOQIDRLLQ-BXKDBHETSA-N 280.324 0.806 10 10 CCCE C/C=C/CNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 395058002 YONHBTJWHMDEPH-PBKGFPTLSA-N 250.298 0.660 10 10 CCCE CCOC(=O)CC(C)(C)CC(=O)C(=O)CNC(=O)OC 819754966 ATHQCXNUFBLCCZ-UHFFFAOYSA-N 287.312 0.850 10 10 CCCE CS(=O)(=O)c1cnn(Cc2ccc(N)cc2)c1 725251920 IAUQWSRZXDSYGB-UHFFFAOYSA-N 251.311 0.917 10 10 CCCE Cc1ccc(O)c(CN2CCC(CO)(CO)C2)c1 827474649 HXSTVIWIDKETBI-UHFFFAOYSA-N 251.326 0.877 10 10 CCCE Cc1cccc(CNCC[C@H]2CNCCS2(=O)=O)c1O 903969084 UOXFXGLNBYCQMB-ZDUSSCGKSA-N 298.408 0.567 10 10 CCCE C[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C[C@H]1O 1152889796 KLJLBECXVAKSJZ-NOZJJQNGSA-N 265.309 0.870 10 10 CCCE Cc1ccc(O)c([C@@H](C)NC[C@H](O)CS(C)(=O)=O)c1 927027273 SUNJNMYNYGPEOA-MNOVXSKESA-N 287.381 0.757 10 10 CCCE COc1ccc(N2CC[C@@H](N=c3nc[nH]n3C)C2)cc1 853761309 RUFRVPAXBODCKS-LLVKDONJSA-N 273.340 0.936 10 10 CCCE COc1cc(O)c(CN2C[C@@H](O)C[C@@H](O)C2)cc1OC 775735373 OUYGLMOFVUTPSN-PHIMTYICSA-N 283.324 0.337 10 10 CCCE CN(CC1=NO[C@@H]2CNC[C@@H]12)Cc1ccccc1O 1877545842 QSHWOYXLZJYMLJ-SMDDNHRTSA-N 261.325 0.798 10 10 CCCE CN(Cc1ccccc1O)C(=O)C1(N)CC(CO)C1 1879677063 UPORLFKKDRBRDU-UHFFFAOYSA-N 264.325 0.450 10 10 CCCE Nc1ccc(NC(=O)N2C[C@H]3CS(=O)(=O)C[C@H]3C2)cc1 1337838244 MCMHPYUUTFVKFP-AOOOYVTPSA-N 295.364 0.777 10 10 CCCE COC(=O)[C@H](C)CS(=O)(=O)NCCCN=[N+]=[N-] 1963988426 SIYREOIFLZUOSU-SSDOTTSWSA-N 264.307 0.415 10 10 CCCE CCOc1cccc([C@@H](N)C(=O)NCCCO)c1O 83497389 DSMDGLGLPXXLOM-LLVKDONJSA-N 268.313 0.289 10 10 CCCE COc1ccc([C@@H](N)c2nnc(CC(=O)O)o2)c(O)c1 83588158 WSFZARPWFOGOAW-LLVKDONJSA-N 279.252 0.459 10 10 CCCE COc1cc(O)c([C@@H](N)c2nnc(C=O)o2)c(OC)c1 83588088 MKOXEFCUELUSOP-LLVKDONJSA-N 279.252 0.653 10 10 CCCE CN(C)CCCNC(=O)[C@@H](N)c1cc(F)ccc1O 83513855 HSZIWTHPNOYHGA-LBPRGKRZSA-N 269.320 0.599 10 10 CCCE C[C@@H](C(=O)O)c1nnc([C@H](N)c2ccc(O)cc2O)o1 83588036 CQGYIHYIBYWWKG-MLUIRONXSA-N 279.252 0.717 10 10 CCCE Nc1ccc(CN2C[C@H](CO)C[C@@H](CO)C2)cc1 1964656504 LSZARZOYDSTFCX-CHWSQXEVSA-N 250.342 0.692 10 10 CCCE O=C(C(=O)N1CCCCO1)N1Cc2cccc(O)c2C1 1329799525 XMCCGQAKTDXUPK-UHFFFAOYSA-N 276.292 0.788 10 10 CCCE CS(=O)(=O)CS(=O)(=O)N1CCC[C@H]1CN=[N+]=[N-] 692806096 JHDZZMCJYOGLIU-ZETCQYMHSA-N 282.347 0.093 10 10 CCCE [N-]=[N+]=NCCN[C@]1(C(N)=O)CCCc2cccnc21 716181679 XSPDZOWFRXZOKE-GFCCVEGCSA-N 260.301 0.998 10 10 CCCE CCN[C@@H]1COC[C@H]1C(=O)N(C)Cc1ccccc1O 90490520 DGMNLIHNBGWYDP-CHWSQXEVSA-N 278.352 0.975 10 10 CCCE CN1CCO[C@@H](CNC(=O)CCc2ccc(N)cc2)C1 91662103 SSTWNBIUMKJDCE-AWEZNQCLSA-N 277.368 0.648 10 10 CCCE [N-]=[N+]=NCC1(CNC(=O)[C@H]2CN3CCN2CC3)CC1 2117722520 AJZGOFOBLYSCEQ-SNVBAGLBSA-N 264.333 0.193 10 10 CCCE Nc1ccc(CCCN[C@@H]2[C@H]3CS(=O)(=O)C[C@H]32)cc1 2118039041 JVMVQVGHIWSIOX-WDNDVIMCSA-N 280.393 0.834 10 10 CCCE C[C@H](N[C@@H]1[C@H]2CS(=O)(=O)C[C@H]21)c1cc(O)ccc1O 2118013807 BRCRLLLMRXYQMA-UVRHIYEWSA-N 283.349 0.791 10 10 CCCE CCOC(=O)CC(=O)NCc1cccc(O)c1O 1521852042 RPOOPUSACWNOCJ-UHFFFAOYSA-N 253.254 0.667 10 10 CCCE O=C(C[C@@H]1CCCS1(=O)=O)NCc1ccc(O)cc1O 1469161319 XYZHCVPJGMPTLX-NSHDSACASA-N 299.348 0.681 10 10 CCCE O=C(C[C@H]1C=CS(=O)(=O)C1)NCc1c(O)cccc1O 1558535574 KHLDJUIAQDVPFF-SECBINFHSA-N 297.332 0.662 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)C[C@@H]2CCS(=O)(=O)C2)C1 1912149617 IVYXWYIUUFHIDY-UWVGGRQHSA-N 286.357 0.970 10 10 CCCE CS(=O)(=O)N1CC[C@H](CN2CC[C@H](N=[N+]=[N-])C2)C1 1912169613 MTJVCTKDAIRBJZ-ZJUUUORDSA-N 273.362 0.653 10 10 CCCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)C2CS(=O)(=O)C2)C1 1912153830 DSEJIFDOUGSVDR-MRVPVSSYSA-N 258.303 0.332 10 10 CCCE NC(=O)CC1(CNC(=O)Cc2ccc(O)c(O)c2)CC1 1570461660 YNYDARMUDOQQQJ-UHFFFAOYSA-N 278.308 0.412 10 10 CCCE CN=c1cc[nH]c(=NCCc2ccc(O)c(O)c2)[nH]1 2125496009 RSCLNUNMTQIMGC-UHFFFAOYSA-N 260.297 0.428 10 10 CCCE CNCc1ccc(N2C[C@@H]3C[C@H](C2)[C@@H](O)[C@H]3O)cc1 2126155759 ANWORTJHDPBALV-CUFDPUGPSA-N 262.353 0.584 10 10 CCCE Cn1c(O)nnc1CNC(=O)N1Cc2cccc(O)c2C1 1684773599 UCAUMHALEMAVIV-UHFFFAOYSA-N 289.295 0.452 10 10 CCCE CO[C@]1(C)C[C@H]2C[C@H]1C[C@@]2(NCCN=[N+]=[N-])C(N)=O 2128796746 SNESGTACRKOYTK-SPFNVWMYSA-N 267.333 0.945 10 10 CCCE C[C@H]1CO[C@H](CO)CN1CCC(=O)Nc1ccc(N)cc1 167049721 LBGSTLHQOPCGSQ-FZMZJTMJSA-N 293.367 0.679 10 10 CCCE CN(CC(=O)O)c1ccc2c(c1)CC(=O)N2CCO 259337776 DNMPSWYYCKOGQV-UHFFFAOYSA-N 264.281 0.089 10 10 CCCE C[C@H](CC(N)=O)N(C)c1ccc(CO)c([N+](=O)[O-])c1 2132058402 PMTDJZVTEQVIMV-MRVPVSSYSA-N 267.285 0.787 10 10 CCCE C[C@@](O)(CNC(=O)c1cc(O)c(O)c(O)c1)C1CC1 2132348016 CDXYMLYJUSHHIL-CYBMUJFWSA-N 267.281 0.694 10 10 CCCE O=C1Nc2cc(N3CC4(CCOC4)C3)ccc2[C@H]1O 1915306344 UAFTZWOWLSTVMX-GFCCVEGCSA-N 260.293 0.899 10 10 CCCE O=C(c1cccc(O)c1O)N1C[C@H]2CC[C@@]2(CO)C1 1901746127 GOXKNMDJGGSJLY-OTYXRUKQSA-N 263.293 0.942 10 10 CCCE CO[C@@H](C)CNS(=O)(=O)CCOc1ccc(N)cc1 223649058 FQIRHUDNZYTZKG-JTQLQIEISA-N 288.369 0.602 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)c1c[nH]ccc1=O 1968739076 KHYRXTAIDBGIFC-UHFFFAOYSA-N 274.276 0.759 10 10 CCCE C[C@H](CC(=O)O)N(C)C(=O)Cc1ccc(O)c(O)c1 1925368236 LIZJCVCJGOPINQ-MRVPVSSYSA-N 267.281 0.962 10 10 CCCE CN(CCN=[N+]=[N-])C(=O)[C@]12CCC[C@@H]1CS(=O)(=O)C2 2137222858 ROXAPMRRUAJHTK-KOLCDFICSA-N 286.357 0.970 10 10 CCCE Nc1ccc(CNC(=O)[C@@H]2Cc3nncn3C2)cc1 1968570812 WHAPCHZHCZGDBJ-SNVBAGLBSA-N 257.297 0.349 10 10 CCCE O=C(CN1C[C@H]2C[C@H]1[C@@H]2CO)c1ccc(O)c(O)c1 2138374783 XRCHQLGSAVEVKE-MXWKQRLJSA-N 263.293 0.593 10 10 CCCE Nc1ccc(CC(=O)N2CCc3noc(N)c3C2)cc1 1973333300 ZXPMAXUJFCRJMN-UHFFFAOYSA-N 272.308 0.966 10 10 CCCE CNCc1ccc(N2CC[C@H](OCC(N)=O)C2)c(F)c1 2145375930 VCSHGMNYLWCRGA-NSHDSACASA-N 281.331 0.626 10 10 CCCE CN1CCc2cc(CNCCCNS(C)(=O)=O)ccc21 162443411 AKGZEKFMWHCQKI-UHFFFAOYSA-N 297.424 0.708 10 10 CCCE CCN(CC(=O)OC)S(=O)(=O)Cc1ccc(N)cc1 42527896 QCYMMKKYIUWPTJ-UHFFFAOYSA-N 286.353 0.594 10 10 CCCE Nc1ccc(CC(=O)N[C@H](C(=O)O)[C@H]2CCOC2)cc1 2149331384 SLTLDCKVAIRKGM-GWCFXTLKSA-N 278.308 0.417 10 10 CCCE Nc1ccc(OCCN2[C@H](CO)C[C@@H]3OCC[C@@H]32)cc1 2146695202 SXBIBSHBPWWLOQ-QEJZJMRPSA-N 278.352 0.872 10 10 CCCE CN(CCO)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 40453008 ZMCVOCIUKWQMDU-UHFFFAOYSA-N 267.241 0.354 10 10 CCCE C[C@@H]1CN(C[C@H](O)COc2ccc(N)cc2)CC[C@@H]1O 166068525 VOUSXNSXACJXPU-ZLDLUXBVSA-N 280.368 0.711 10 10 CCCE CCCNC(=O)CCNC(=O)COc1ccc(N)cc1 45064413 SMMPBTGBILQQCV-UHFFFAOYSA-N 279.340 0.680 10 10 CCCE C[C@@H](NCc1cc2c(cc1O)OCO2)c1nnn[nH]1 44926802 BMNHNGIZHUVIAW-ZCFIWIBFSA-N 263.257 0.485 10 10 CCCE CS(=O)(=O)[C@H]1CNC[C@H]1Nc1ccc(N)cc1 2017558914 UYYFQAWYHFHNPE-MNOVXSKESA-N 255.343 0.066 10 10 CCCE C[C@H](O)c1ccc(N2C[C@H](O)[C@@H](N(C)C)C2)cc1 2029438396 TZVUDGXVAYDPAJ-BPNCWPANSA-N 250.342 0.851 10 10 CCCE CN1CC[C@H](CNC(=O)[C@H]2CNc3ccccc3N2)C1 300318626 GWPYIDYQRZVXRH-BXUZGUMPSA-N 274.368 0.961 10 10 CCCE NCc1ccc(N2C[C@H](O)[C@@H]3COC[C@@H]32)cc1Cl 2040601658 XIOYDOUOQBMELW-WXHSDQCUSA-N 268.744 0.995 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CCC(F)(F)[C@@H](CO)C1 403567618 FOCYYVCMQGXDMH-MRVPVSSYSA-N 288.250 0.583 10 10 CCCE CCn1cc(CNCc2ccc(O)c(O)c2O)nn1 404476135 RDGBJGVFDNGZBN-UHFFFAOYSA-N 264.285 0.705 10 10 CCCE COC(=O)[C@]1(NCCN=[N+]=[N-])CC(=O)N2CCCC[C@@H]21 312462973 SXEMTLNMJFJMNU-SKDRFNHKSA-N 281.316 0.583 10 10 CCCE CC(C)[C@H](NC(N)=O)C(=O)NCCCCN=[N+]=[N-] 701264325 RPPIJQBESHWHRB-QMMMGPOBSA-N 256.310 0.886 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CCO[C@@H](CCO)C3)ccc21 2172871579 NREOLIDUAUWURV-GWCFXTLKSA-N 277.324 0.226 10 10 CCCE CC(C)N=c1[nH]c(CCc2ccc(N)cc2)nc(=N)[nH]1 380861802 WADQCUBFISMUIM-UHFFFAOYSA-N 272.356 0.894 10 10 CCCE COC[C@@]1(CNC(=O)c2cccc(O)c2O)CCCN1 383528485 ALAYHOUKWMJXII-AWEZNQCLSA-N 280.324 0.596 10 10 CCCE CN(C(=O)CN1C[C@@H](O)C(C)(C)C1)c1ccc(N)cc1 387660693 GWHNQOHXIFXUEJ-CYBMUJFWSA-N 277.368 0.934 10 10 CCCE O=C(O)[C@@H](F)CC1CN(C(=O)c2ccc(O)c(O)c2)C1 2178480241 JJKQFPCSHUNNSD-VIFPVBQESA-N 283.255 0.983 10 10 CCCE C[C@@]1(NS(=O)(=O)Cc2ccc(N)cc2)CCNC1 2071668497 YDPLRDZLZOZXPB-GFCCVEGCSA-N 269.370 0.440 10 10 CCCE CNC(=O)[C@@H]1CCN(C(=O)CCc2ccc(N)cc2)C1 398455962 AZXZJZCVTGSMQV-GFCCVEGCSA-N 275.352 0.796 10 10 CCCE CN(CC[S@@](C)=O)C[C@@H](O)COc1ccc(N)cc1 398900378 KSAOULAJZDMHKU-CWTRNNRKSA-N 286.397 0.319 10 10 CCCE Nc1ccc(NC(=O)N[C@@H]2C[C@H]3C[C@H]2[C@@H](O)[C@@H]3O)cc1 2166389494 HKVQQSYGXUIMCY-LDBGNUQFSA-N 277.324 0.521 10 10 CCCE CN(CC1[C@@H]2COC[C@@H]12)S(=O)(=O)Cc1ccc(N)cc1 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C[C@H](NC(=O)[C@@H](N)C1COC1)c1ccccc1O 2072483264 BVDRKRRMCDJDHS-UFBFGSQYSA-N 250.298 0.543 10 10 CCCE C[C@@H]1C[C@@]1(CNC(=O)c1ccc(O)c(O)c1)C(=O)O 2101177611 DADQZTVCBHHCRC-UHLUBPPHSA-N 265.265 0.938 10 10 CCCE C[C@H](O)c1ccc(N2C[C@H]3C[C@H]2[C@@H](O)[C@H]3O)c(F)c1 2104411033 JZQWLPFGRLUBRV-TXZWKWGWSA-N 267.300 0.809 10 10 CCCE Cc1cccc(O)c1CN1CCC(N)(C(N)=O)CC1 2104509631 UGRADVCHXXZNJT-UHFFFAOYSA-N 263.341 0.479 10 10 CCCE CS(=O)(=O)[C@@H]1COC[C@H]1NCc1ccccc1O 2086310132 ODKYYKLHGBXWCT-ZYHUDNBSSA-N 271.338 0.294 10 10 CCCE CS(=O)(=O)C1([C@H](NCCCN=[N+]=[N-])C(N)=O)CCC1 2110410286 RDOYQOCCRFSQEX-MRVPVSSYSA-N 289.361 0.098 10 10 CCCE C[C@H](c1c(O)cccc1O)N1CC(O)(CC(=O)O)C1 2110673904 SXRWILHMFCCSCA-MRVPVSSYSA-N 267.281 0.680 10 10 CCCE Nc1cc(O)ccc1NS(=O)(=O)N1C[C@H]2CC[C@H]2C1 2092890003 HYNVAMOAMGIZIV-DTORHVGOSA-N 283.353 0.973 10 10 CCCE CN(CC(F)(F)CO)c1ccc2c(c1)NC(=O)[C@@H]2N 2094620008 VBPUTQOAIJFQLD-SNVBAGLBSA-N 271.267 0.702 10 10 CCCE COc1cc(N(C)C[C@H]2CN(C)CCO2)ccc1CO 2204543502 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CCN(CCN=[N+]=[N-])S(=O)(=O)N1CCC[C@@H]1CO 2315987726 YRZPRLGEEJFFSS-SECBINFHSA-N 277.350 0.320 10 10 CCCE COC(=O)[C@]1(NCCN=[N+]=[N-])CCN[C@@H](C)[C@H]1C 2321351195 IHHQVTCAQGPBFH-YWVKMMECSA-N 255.322 0.816 10 10 CCCE NCc1ccc(N2CC(=O)NC(=O)C2)cc1C1CC1 2339142995 FXMJWPRXDIALDG-UHFFFAOYSA-N 259.309 0.486 10 10 CCCE OC[C@@H]1C[C@H](N[C@H]2CCc3cccc(O)c32)[C@@H](O)[C@H]1O 2355674556 XSTFQZPAFQZSLW-UQXKVLDMSA-N 279.336 0.072 10 10 CCCE CO[C@H]1CCC[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 50374153 HUSIQVYCBIEVAE-MJVIPROJSA-N 294.351 0.651 10 10 CCCE COc1ccc(N2CCN(CC(=O)NC(N)=O)CC2)cc1 39561422 GSZQRRQFDZYDOU-UHFFFAOYSA-N 292.339 0.012 10 10 CCCE COc1ccc(N2CCOCC2)cc1NS(C)(=O)=O 41365196 PQONJRBAYXJMOU-UHFFFAOYSA-N 286.353 0.903 10 10 CCCE CNC(=O)NC(=O)[C@H](C)OC(=O)COc1ccc(N)cc1 41093731 MQIMSDOYWIFBRX-QMMMGPOBSA-N 295.295 0.035 10 10 CCCE CC[C@H](CN)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 87530719 VRWFEPSWFSOMHR-ZJUUUORDSA-N 296.323 0.195 10 10 CCCE CCNC(=O)[C@H](C)NC(=O)Nc1ccc(N)cc1 49226495 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C[C@@H]1NCCN(C(=O)COc2ccc(N)cc2)[C@H]1C 1876479278 FXGSUWKAXABVQY-QWRGUYRKSA-N 263.341 0.856 10 10 CCCE C[C@@H]1C[C@@H](NC(=O)CCOc2ccc(N)cc2)CN1 1876440622 BWSWAXGDSZHDKE-ZYHUDNBSSA-N 263.341 0.904 10 10 CCCE C[C@@H]1CC[C@H](NC(=O)COc2ccc(N)cc2)CN1 1876521081 JVJCRPNTMRELIT-PWSUYJOCSA-N 263.341 0.904 10 10 CCCE C[C@@H](ONC(=O)N(C)Cc1ccccc1O)C(=O)O 1877542913 LOSZWSKQNQZDCQ-MRVPVSSYSA-N 268.269 0.938 10 10 CCCE Nc1ccc(CC(=O)NC[C@@]2(CO)CCCO2)cc1 1879594372 BHPZTUSTQMFUDY-CQSZACIVSA-N 264.325 0.469 10 10 CCCE CC1(C)[C@H](O)C[C@@]1(CO)NCc1ccc(O)cc1O 1879567420 UHGZCNYCNJQZJQ-OCCSQVGLSA-N 267.325 0.709 10 10 CCCE N[C@@H](c1nnc(-c2c[nH]cn2)o1)c1cccc(O)c1O 83536924 HARSNOQZIUMOMR-SECBINFHSA-N 273.252 0.919 10 10 CCCE CCCNC(=O)[C@@H](N)c1cc(O)c(O)c([N+](=O)[O-])c1 83512701 MLOPPNUHNNEIPM-VIFPVBQESA-N 269.257 0.532 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN1C(=O)CN1CCCC1=O 691682746 BANWUSJHRUQWNF-SECBINFHSA-N 251.290 0.910 10 10 CCCE COCCNCc1ccc(N2CCNC(=O)C2)cc1C 62734816 KWILHGBBFWWBEX-UHFFFAOYSA-N 277.368 0.667 10 10 CCCE COc1ncc(/C=C\C(=O)N(C)c2ccnn2C)cn1 1463508914 PTCPRAAZNHNSRV-PLNGDYQASA-N 273.296 0.895 10 10 CCCE COc1ccc(N2CC(=O)N[C@H](CC(=O)O)C2)cc1 217063499 LGRJIGZRRPUSIX-SECBINFHSA-N 264.281 0.475 10 10 CCCE NC(=O)N=Nc1ccc(C(=O)NC2=NCC(=O)N2)cc1 1610056470 OXHSRKRXNMOSGK-UHFFFAOYSA-N 274.240 0.065 10 10 CCCE COC[C@@]1([C@@H](NCCN=[N+]=[N-])C(=O)O)CCCCO1 1912165911 QAFUVTCBBUINNP-GXSJLCMTSA-N 272.305 0.925 10 10 CCCE Cn1ncc(S(=O)(=O)N2CCC(CN=[N+]=[N-])CC2)n1 1912181146 KMPYMFTXSMPPOR-UHFFFAOYSA-N 285.333 0.526 10 10 CCCE O=C1N[C@@H](C(=O)NCc2cc(O)ccc2O)CCO1 1637126292 RNAJZQHBXYFUHE-SECBINFHSA-N 266.253 0.213 10 10 CCCE NC[C@H]1C[C@@H](O)CN1c1ccc2c(c1)OC(F)(F)O2 2124714166 PYLYTSAASUTQSX-RKDXNWHRSA-N 272.251 0.906 10 10 CCCE N[C@H](CO)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1 107943497 ZQGRIYYHQRMEQT-ZYHUDNBSSA-N 264.325 0.604 10 10 CCCE OC[C@H](O)[C@@H]1CCCN1c1ccc2c(c1)CC[C@H]2O 2128320722 DQDDTXCJXOBLAT-ZNMIVQPWSA-N 263.337 0.988 10 10 CCCE 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CCN1CCO[C@@H](CNCc2cccc(O)c2O)C1 165898978 SBDMITKPZUXBNL-LBPRGKRZSA-N 266.341 0.908 10 10 CCCE C[S@@](=O)CC1CN(Cc2cc(N)ccc2O)C1 2001789141 NDQOYRYFBODAEC-QGZVFWFLSA-N 254.355 0.785 10 10 CCCE CN(C)c1ccc([C@H](CN)N2CC(S(C)(=O)=O)C2)cc1 2152284501 KQWJLNDONPBEGO-AWEZNQCLSA-N 297.424 0.481 10 10 CCCE CN(CCN=[N+]=[N-])C(=O)N[C@H]1CCS(=O)(=O)C1 2021032495 ZBQDIKXWXRKGNF-ZETCQYMHSA-N 261.307 0.125 10 10 CCCE CN(C)c1ccc(CNS(=O)(=O)CCCO)cc1 2026959022 WNZXHAGVICVNGW-UHFFFAOYSA-N 272.370 0.554 10 10 CCCE Nc1ccc(O)c(CN2C[C@H](CO)C[C@@H]2CO)c1 2029367988 FNHXBNTUHXWYMQ-BXKDBHETSA-N 252.314 0.150 10 10 CCCE COc1cccc(CN[C@H]2CN(C)C[C@@H]2O)c1O 2029866143 GYVBOIKEZWRCLJ-QWRGUYRKSA-N 252.314 0.165 10 10 CCCE CN([C@H]1CCN(c2ccc(N)cc2)C1)S(C)(=O)=O 2030321082 HSNWDGASLQQZDI-LBPRGKRZSA-N 269.370 0.739 10 10 CCCE CNCc1ccc(N2CCN3C[C@H](O)C[C@@H]3C2)c(F)c1 405644107 DJSSTDYZBVNPLJ-CHWSQXEVSA-N 279.359 0.800 10 10 CCCE C[C@@H](N)c1ccc(N2C[C@H](O)[C@@H](CO)C2)c(F)c1 316941486 MWAUWRMUNVIQEN-JQEORGNBSA-N 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Cc1cccc(O)c1CN[C@@H]1CCn2nnnc2C1 1875675122 UQTUGAHTCWRMBJ-SNVBAGLBSA-N 259.313 0.792 10 10 CCCE C[C@@H]1NCCC[C@@H]1NC(=O)COc1ccc(N)cc1 1876511247 NJEWVJPIQJZGPD-GWCFXTLKSA-N 263.341 0.904 10 10 CCCE CC[C@@H]1NC(=O)N(CCOc2ccc(N)cc2)C1=O 57849763 QQDKTFJXGPTBRU-NSHDSACASA-N 263.297 0.978 10 10 CCCE CS(=O)(=O)CC(=O)Nc1ccnn1-c1ccc(N)cc1 70127432 KBFRNKMOVCTKRM-UHFFFAOYSA-N 294.336 0.438 10 10 CCCE Nc1ccc(CS(=O)(=O)NC2CC(O)C2)cc1 91432173 FNVHZUPXRJYRMQ-UHFFFAOYSA-N 256.327 0.212 10 10 CCCE CNCc1ccc(N2C[C@@H](CO)[C@@H](CO)C2)c(C)c1 704815308 MIGAMHGNOUNXRZ-OKILXGFUSA-N 264.369 0.751 10 10 CCCE COc1ccc(CN(C)CCN2CCNCC2)c(O)c1 71149109 COSGGUDDGZZKIY-UHFFFAOYSA-N 279.384 0.738 10 10 CCCE CN1C(=O)CN(CCC(=O)Nc2ccc(N)cc2)C1=O 708415134 MJCCUZFWSLAQKZ-UHFFFAOYSA-N 276.296 0.491 10 10 CCCE COc1ccc(CN2C[C@H](C(=O)O)[C@@H](OC)C2)c(O)c1 690097365 XDRMLBULMHFOAO-AAEUAGOBSA-N 281.308 0.932 10 10 CCCE Cc1cc(CNC(=O)COc2ccc(N)cc2)n[nH]1 716787110 ZTVFVXBHRBQNJO-UHFFFAOYSA-N 260.297 0.996 10 10 CCCE CN(CCC(=O)Nc1ccc(N)cc1)CCS(C)(=O)=O 94297433 PEQOBVMRDRVSCZ-UHFFFAOYSA-N 299.396 0.574 10 10 CCCE CN(C)C[C@@H]1C[C@H](O)CN1CCc1ccc(N)cc1 97245138 DRZDSURDQDKUKS-GJZGRUSLSA-N 263.385 0.808 10 10 CCCE C[C@H](C(=O)NCc1cccc(O)c1O)N1CCN(C)CC1 1348048432 SZWVBBCBFJDHJF-LLVKDONJSA-N 293.367 0.350 10 10 CCCE CCC(=O)N1CC[C@H](NC(=O)Cc2ccc(O)c(O)c2)C1 1295009147 YRXDUEGZTIGUNS-NSHDSACASA-N 292.335 0.767 10 10 CCCE CO[C@@]1(CNC(=O)Cc2ccc(O)c(O)c2)CCOC1 1296047334 ONFYQJOXRWYRPE-CQSZACIVSA-N 281.308 0.562 10 10 CCCE Oc1ccccc1CNC[C@@H]1C[C@H]2C[C@H]1[C@H](O)[C@H]2O 2117790167 RDMPYGXZDVOVBL-QIRZIZBZSA-N 263.337 0.860 10 10 CCCE C[C@@H](N[C@H]1[C@H]2CS(=O)(=O)C[C@H]21)c1cc(O)ccc1O 2118013806 BRCRLLLMRXYQMA-DRYIUFOISA-N 283.349 0.791 10 10 CCCE CC(C)(C)n1nnc(C(=O)NCc2c(O)cccc2O)n1 1456310539 CHQVECGFNGRUGP-UHFFFAOYSA-N 291.311 0.769 10 10 CCCE CN1CCC(ONC(=O)Cc2ccc(O)c(O)c2)CC1 1467985128 CABPDWUWRUQTHK-UHFFFAOYSA-N 280.324 0.782 10 10 CCCE CC[C@H](N[C@H]1CS(=O)(=O)C[C@H]1O)c1ccccc1O 2121385120 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O=C(N=S1(=O)CCOCC1)c1cc(O)c(O)c(O)c1 2132414487 XOZUHFUAAGLGJM-UHFFFAOYSA-N 287.293 0.442 10 10 CCCE C[C@@H]1C[C@@H](CNC(=O)c2cc(O)c(O)c(O)c2)CN1 2132407423 PGTXFQWSSGKBKO-HTQZYQBOSA-N 266.297 0.531 10 10 CCCE C[C@@H]1C[C@@H](NC(=O)Cc2ccc(N)cc2)CCS1(=O)=O 1122344985 NOUPRDIMLHDBKX-MFKMUULPSA-N 296.392 0.893 10 10 CCCE CC[C@@H](C)NC(=O)c1nnn(-c2ccc(N)cc2)n1 1857878539 GLBKEKNVMCGEFR-MRVPVSSYSA-N 260.301 0.773 10 10 CCCE CN(c1ccc2c(c1)NC(=O)[C@@H]2N)[C@@H]1CCS(=O)(=O)C1 102680423 SKJMJRDZMKGVST-BXKDBHETSA-N 295.364 0.262 10 10 CCCE Nc1ccc(NC(=O)CN2C[C@@H]3C[C@H]3[C@@H]2CO)cc1 1905556808 SBSKXYJNFGSWTC-BIMULSAOSA-N 261.325 0.520 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@H]2C[C@H](CCO)C2)cc1 1907232540 STZQQONWRYQOJZ-AULYBMBSSA-N 284.381 0.849 10 10 CCCE C[C@H](c1c(O)cccc1O)N1C[C@@H](O)C[C@H]1C(=O)O 2136093158 FYKGNTADGXDALT-VGMNWLOBSA-N 267.281 0.679 10 10 CCCE COc1cc(N2CCn3ncnc3C2)ccc1CO 2139686737 KJEIORLDCQURPE-UHFFFAOYSA-N 260.297 0.799 10 10 CCCE O=C(N[C@H]1CCS(=O)(=O)C1)[C@H]1CNc2ccccc2N1 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NC(=O)CN(Cc1ccc(N)cc1)C[C@H](O)C(F)(F)F 2155616951 OCEQJAJXGJHCNL-JTQLQIEISA-N 291.273 0.479 10 10 CCCE NC(=O)CN(Cc1ccc(N)cc1)C(=O)[C@@H]1[C@H]2CC[C@H]21 2160059335 XMNRMUXGFLXFBF-IMRBUKKESA-N 273.336 0.739 10 10 CCCE C[C@@]1(CNC(=O)c2cc(O)nc(O)c2)CCNC1 2026919491 FCEPKLKQOUEFAF-GFCCVEGCSA-N 251.286 0.222 10 10 CCCE OCc1ccc(N2C[C@@H](CO)C[C@@H]2CO)c(F)c1 2029383986 IKRZXSQLSDMLEK-WDEREUQCSA-N 255.289 0.498 10 10 CCCE COc1ccc(N2C[C@H](N)[C@H]3COC[C@@H]32)c([N+](=O)[O-])c1 2158362314 NHWXHGFITFSANI-NRUUGDAUSA-N 279.296 0.766 10 10 CCCE CN1C[C@@H]2C[C@H](C1)CN2c1ccc2c(c1)NC(=O)[C@@H]2O 2160684522 ZGLBRBVDRCPBDX-OLUVUFQESA-N 273.336 0.812 10 10 CCCE Nc1ccc(CC(=O)N[C@H]2COCC[C@H]2O)cc1 710887651 WMTOFVYGBGGICC-NWDGAFQWSA-N 250.298 0.077 10 10 CCCE C[C@@H]1CS(=O)(=O)C[C@H]1NCc1cccc(O)c1O 711653557 IFESOYHJDBDLJF-PSASIEDQSA-N 271.338 0.621 10 10 CCCE C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1cccc(O)c1O 712278307 XRTRKFABVGUPOE-APPZFPTMSA-N 285.321 0.261 10 10 CCCE CN(C)CCNCc1nc(-c2ccc(O)c(O)c2)no1 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COCCN(C)C1CN(c2ccc(CN)c(OC)c2)C1 2204555294 WVAFEUJQZDFAQR-UHFFFAOYSA-N 279.384 0.921 10 10 CCCE COC[C@@H](O)CN(C)c1ccc(OC)cc1C=O 2220434364 ZJTBJADKWHMFSI-NSHDSACASA-N 253.298 0.951 10 10 CCCE Nc1ccc(O)c(CN2C[C@@H]3CCO[C@]3(CO)C2)c1 2231300164 GNFMLGKFBMZCEF-FZMZJTMJSA-N 264.325 0.558 10 10 CCCE O=C1Nc2cc(N3C[C@@H](O)C[C@H](F)C3)c(F)cc2[C@H]1O 2234673839 XAFFAOCHMBYEEV-DJOAAKCGSA-N 284.262 0.720 10 10 CCCE CN1CCN(c2ccc3c(c2)OCCCO3)[C@H](CO)C1 2235122333 ZCYRCKGMDHKEKE-ZDUSSCGKSA-N 278.352 0.961 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3C[C@@H](O)C[C@H](F)C3)ccc21 2226288018 BXIIEZWMXXOIPQ-DXBFQKDVSA-N 265.288 0.548 10 10 CCCE COc1ccc(N2C[C@H](O)[C@H]3COC[C@H]32)c(OC)c1 2226798821 KSYKCRXJHULYFG-UHTWSYAYSA-N 265.309 0.900 10 10 CCCE COc1ccc(N2CC[C@H](O)[C@](C)(O)C2)c(C=O)c1 2227697304 XLRLQEKLVWIOTH-UONOGXRCSA-N 265.309 0.830 10 10 CCCE COc1ccc(N2C[C@H]3C[C@@H](C2)[C@H](CO)[C@H]3N)c(N)c1 2239320411 JRLJLISSZJYZKX-HOZXKAFVSA-N 277.368 0.669 10 10 CCCE CNCc1cc(OC)ccc1N1CC[C@@H]1[C@@H](O)CO 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COCCCNC(=O)Nc1cc(O)c(O)c(O)c1 217278666 BMHDFXPBNRUZNU-UHFFFAOYSA-N 256.258 0.961 10 10 CCCE NC(=O)CN(C(=O)COc1ccc(N)cc1)C1CCCC1 40327514 XOWYFUKNCZAUMW-UHFFFAOYSA-N 291.351 0.904 10 10 CCCE [N-]=[N+]=NCCOC(=O)NCCCC[C@@H](N)C(=O)O 212814698 RPLCQQYRZLXMKL-SSDOTTSWSA-N 259.266 0.605 10 10 CCCE COCc1noc([C@H](N)Cc2ccc(O)c(O)c2)n1 49672030 ZNWMXEMLYVTQDY-MRVPVSSYSA-N 265.269 0.870 10 10 CCCE CCCOc1cc(N2C[C@@H](O)[C@H](O)C2)ccc1N 233250849 RVRDKFFCVSIROB-VXGBXAGGSA-N 252.314 0.599 10 10 CCCE Nc1ccc(OC[C@H](O)C[S@@](=O)C2CCOCC2)cc1 722440565 FXHDDPVURMWNNF-FKIZINRSSA-N 299.392 0.936 10 10 CCCE C[C@@H]1CN(C)C[C@@H]1NC(=O)COc1ccc(N)cc1 722241245 RIVINUXZOUBQAK-MFKMUULPSA-N 263.341 0.714 10 10 CCCE CO[C@H]1CC[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 724187195 IRMYFGZDKALDMY-KWBADKCTSA-N 280.324 0.261 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N3CC([N+](=O)[O-])C3)cc21 1876137871 YHGKGVAEILNDTE-NSHDSACASA-N 262.269 0.128 10 10 CCCE CN(C)C(=O)N1CCC(NCCN=[N+]=[N-])(C(=O)O)CC1 132896170 XDGJKAGQWBJBON-UHFFFAOYSA-N 284.320 0.487 10 10 CCCE CC(=O)C(=O)[C@]1(O)CCC12CN(C(=O)OC(C)(C)C)C2 1882208568 SOSHSPOUUGJSCI-CQSZACIVSA-N 283.324 0.907 10 10 CCCE COc1cc(N)c(N2CC(C3CNC3)C2)cc1OC 1886853208 GJPXJVZTKBMNFA-UHFFFAOYSA-N 263.341 0.942 10 10 CCCE COC(=O)[C@H](NCCN=[N+]=[N-])c1cn(C(C)C)nn1 394038518 NWDKBDINGRPHLX-SECBINFHSA-N 267.293 0.973 10 10 CCCE COCCCNC(=O)[C@H](N)c1cc(OC)ccc1O 83497432 CHROGYQVHDOCHD-GFCCVEGCSA-N 268.313 0.553 10 10 CCCE Cc1ccc(O)c([C@@H](N)c2nnc([C@H](O)C(=O)O)o2)c1 83588010 KHRBGGUVIKKKIV-BDAKNGLRSA-N 279.252 0.250 10 10 CCCE O=C(O)[C@H](c1cccc(O)c1O)N1C(=O)CCCC1=O 83587895 UTVYCJFJGRXIJR-NSHDSACASA-N 279.248 0.763 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3CCC[C@H]3C(N)=O)cc21 703051652 PCSGFTXKHAXZMF-CMPLNLGQSA-N 274.324 0.117 10 10 CCCE C[C@H]1CN(CCOc2ccc(N)cc2)S(=O)(=O)C1 93634387 OKXACEKVWXFJLX-JTQLQIEISA-N 270.354 0.929 10 10 CCCE O=C(N[C@@H]1CCC[C@@H](O)C1)c1cc(O)nc(O)c1 694563012 VLBSCJBXIUKXJC-RKDXNWHRSA-N 252.270 0.526 10 10 CCCE COc1cccc(CNC[C@@H](O)CN(C)C)c1O 717359936 NTURVRUEOGYGMY-LLVKDONJSA-N 254.330 0.413 10 10 CCCE CCN[C@H]1COC[C@@H]1C(=O)N(C)Cc1ccccc1O 90490519 DGMNLIHNBGWYDP-STQMWFEESA-N 278.352 0.975 10 10 CCCE CN1CCCN(c2ccc3c(c2)OCO3)C[C@@H]1CN 216994260 SVGDHYHZIVWNHP-LBPRGKRZSA-N 263.341 0.885 10 10 CCCE CC(=O)N1CCC[C@H](C(=O)NCc2cc(O)ccc2O)C1 1471661158 SHCIKBHWIUCSNJ-NSHDSACASA-N 292.335 0.973 10 10 CCCE CC(=O)c1cn(CC(=O)NCc2cccc(O)c2O)nn1 1558162243 XDRABDWPDLMTCI-UHFFFAOYSA-N 290.279 0.208 10 10 CCCE CN(CCOc1ccc(N)cc1)CCS(C)(=O)=O 94297165 YOCMWVOQLGUANX-UHFFFAOYSA-N 272.370 0.624 10 10 CCCE C[C@@]1(C(=O)NCc2ccc(O)c(O)c2)CCCS1(=O)=O 1566359420 CEQQKXCNMVETAZ-ZDUSSCGKSA-N 299.348 0.681 10 10 CCCE CC(C)(C)C(=O)NCCNC(=O)Cc1ccc(O)c(O)c1 1566154163 SBXVIVPEISLVAW-UHFFFAOYSA-N 294.351 0.919 10 10 CCCE Cc1cc(=O)n2nc(CN3CC(N=[N+]=[N-])C3)sc2n1 1912154278 LKBUSKBALGAHQG-UHFFFAOYSA-N 277.313 0.954 10 10 CCCE Cc1ccnc2nc(C(=O)N3CC[C@H](N=[N+]=[N-])C3)nn12 1912208935 XJGMEBIDUWARIT-QMMMGPOBSA-N 272.272 0.958 10 10 CCCE COCC1(O)CCN(C(=O)c2c(F)ccc(O)c2O)CC1 1654464282 JBXHXWBSUMGUSQ-UHFFFAOYSA-N 299.298 0.850 10 10 CCCE N[C@H]1C[C@@H](C(=O)O)CN(c2ccc3c(c2)OCO3)C1 108216497 JGTJGCWKQVOHCH-BDAKNGLRSA-N 264.281 0.654 10 10 CCCE CN(c1ccc2c(c1)CC[C@@H]2O)[C@@H]1CC(=O)NC1=O 2128323428 UUHMUZFSJZWJHS-NEPJUHHUSA-N 260.293 0.518 10 10 CCCE N[C@H]1CCc2cc(N3C[C@@H]4OC(=O)N[C@@H]4C3)ccc21 2128323293 VWZQXIYSDMDSHJ-XQQFMLRXSA-N 259.309 0.930 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)c1nc(-c2c[nH]nn2)no1 157349786 FMLGMAIKQFQBHY-ZETCQYMHSA-N 288.267 0.508 10 10 CCCE Nc1ccc(O)c(CN2C[C@H]3COC[C@@H](C2)[C@@H]3O)c1 2132547986 PKRGFEWJPLOSDQ-YABSGUDNSA-N 264.325 0.414 10 10 CCCE CCN(c1ccc(N)cc1)S(=O)(=O)N1CC[C@H](O)C1 1914169742 NAIKHCYMCZTUKF-LBPRGKRZSA-N 285.369 0.407 10 10 CCCE Nc1cc2c(cc1N1CCC3(COC3)C1)NC(=O)CO2 1915815292 LDOHOMURCJTTJR-UHFFFAOYSA-N 275.308 0.826 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC[C@](F)(CO)C1 1917121194 YLQAPVXOLUUSBY-LLVKDONJSA-N 256.233 0.039 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N(C)CCN(C)C)ccc21 111138456 YCJVKXRZEOFPIY-CYBMUJFWSA-N 262.357 0.897 10 10 CCCE C[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1C(=O)O 226872413 GNYRUXLYZFYKNS-WKEGUHRASA-N 266.253 0.428 10 10 CCCE CN(C)c1ccc(CNC[C@@H]2CCS(=O)(=O)N2C)cc1 1967748121 NYSPPKQXBRCELN-AWEZNQCLSA-N 297.424 0.876 10 10 CCCE Cc1cc(NS(=O)(=O)c2cnn(C)n2)c(C)cc1O 1968511240 FNWUGHWEEKXIEZ-UHFFFAOYSA-N 282.325 0.938 10 10 CCCE O=C(O)[C@@H](Cc1ccc(O)c(O)c1)n1cc[nH]c1=O 231931804 QBBAMBCNRFGLCL-MRVPVSSYSA-N 264.237 0.456 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@H](C3CC3)[C@@H](O)C2)cc1 2146825719 JBILZZXULRUIFC-KGLIPLIRSA-N 296.392 0.801 10 10 CCCE N[C@@H](c1c(O)cccc1Br)[C@@H](O)C(=O)O 1952191624 VQQOJGIBBWLDEJ-JGVFFNPUSA-N 276.086 0.600 10 10 CCCE C[C@H](O)C[C@@H]1COCCN1C(=O)Cc1ccc(N)cc1 1972193431 BBYVNFBRVPOXOU-SMDDNHRTSA-N 278.352 0.810 10 10 CCCE O=S1(=O)CC[C@@H]1CNCc1c(O)cccc1F 1972338573 LLCSKZRHLWXNPC-MRVPVSSYSA-N 259.302 0.808 10 10 CCCE C[C@]12CNC[C@@H]1CN(C(=O)Cc1ccc(O)c(O)c1)C2 2144023414 IHTXFEXILCAXQQ-IAQYHMDHSA-N 276.336 0.708 10 10 CCCE C[C@H]1C[S@](=O)CCN1Cc1cc(N)ccc1O 2004528933 IQUPPNKGZBLSCZ-HUTHGQBESA-N 254.355 0.927 10 10 CCCE CCCN[C@H](c1ccccc1O)[C@@H](O)c1nnn(C)n1 2148166425 XBTHPKDONDARCT-VXGBXAGGSA-N 277.328 0.690 10 10 CCCE COC(=O)c1cccc(N)c1N[C@H]1CCC(=O)NC1=O 161206850 KQSQXKZNWZNQBI-VIFPVBQESA-N 277.280 0.273 10 10 CCCE Nc1ccc(CCC(=O)NC[C@@H]2COCCO2)cc1 38062447 HAEBOTSLWFRUMQ-CYBMUJFWSA-N 264.325 0.733 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3CC4(CC(O)C4)C3)ccc21 2146334230 LMTHAYFKONAQJM-ZDUSSCGKSA-N 273.336 0.860 10 10 CCCE Nc1ccc(CN2CC[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 2033875507 XVFSYURFUCOEQM-YPMHNXCESA-N 266.366 0.888 10 10 CCCE NCc1ccc(N2CC(OCCO)C2)c(F)c1F 2034843757 NRDWYVHYSZITJY-UHFFFAOYSA-N 258.268 0.621 10 10 CCCE N[C@@H]1COCC[C@H]1C(=O)NCc1ccccc1O 2041109809 QBCXZMAQZNWAHL-GHMZBOCLSA-N 250.298 0.372 10 10 CCCE CCCNCc1ccc(OC)c(C[S@@](=O)CC(N)=O)c1 312727352 HHFAGELHAGHJOY-HXUWFJFHSA-N 298.408 0.929 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCN[C@@H]2CC[C@@H]21 2177717502 VXMOQQFGJHAPPR-QJPTWQEYSA-N 276.336 0.897 10 10 CCCE CCOC(=O)NC(=O)CN(C)c1ccc(N)cc1 702070201 XFVHPMHGFLIGDF-UHFFFAOYSA-N 251.286 0.978 10 10 CCCE C[C@H](NS(=O)(=O)Cc1ccc(N)cc1)c1nc(=O)o[nH]1 2177822757 RPTWFUPUKLDBPI-ZETCQYMHSA-N 298.324 0.126 10 10 CCCE CN(C(=O)[C@H]1CC[C@@H](C(=O)O)N1C)c1ccc(N)cc1 704618116 JIPAJAYFYIACKN-NEPJUHHUSA-N 277.324 0.779 10 10 CCCE CN(Cc1ccccc1O)S(=O)(=O)[C@H]1CCNC1 687264221 KUAXOZUEJZKKOW-NSHDSACASA-N 270.354 0.516 10 10 CCCE NCc1ccc(N2CCN(C[C@H](O)CO)CC2)c(Cl)c1 2178039891 JOOSVQHMKBEIBP-LBPRGKRZSA-N 299.802 0.274 10 10 CCCE O=C(NCc1ccc(O)nn1)c1cccc(O)c1O 392792943 ZZAVSHFLULZZOB-UHFFFAOYSA-N 261.237 0.523 10 10 CCCE C[C@H]1OCCN(Cc2ccc(O)c(O)c2)[C@H]1C(=O)O 380918424 LEPIPIQFDDRPGC-PRHODGIISA-N 267.281 0.772 10 10 CCCE C[C@@H](NC(=O)c1cccc(O)c1O)c1cn(C)nn1 720547168 JOEBVZHKJCQVEC-SSDOTTSWSA-N 262.269 0.717 10 10 CCCE C[C@H](NCc1ccc(O)c(O)c1)c1nc(O)n[nH]1 392410782 ASPKUKGXSDZANG-LURJTMIESA-N 250.258 0.772 10 10 CCCE CCNCc1ccc(N2CC[C@@H](O)[C@H](CO)C2)cc1 396857424 OMUFBQZUKKXYSR-DZGCQCFKSA-N 264.369 0.976 10 10 CCCE O=C(CCn1ccc2c(c1=O)CNCC2)N1CCCC1 2173774269 UIDJPFCKTWUDID-UHFFFAOYSA-N 275.352 0.507 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN(C(=O)[C@H]2[C@@H]3CS(=O)(=O)C[C@@H]32)C1 2174579829 YVYRTRYGKRNDGB-ZNSHCXBVSA-N 298.368 0.826 10 10 CCCE CCN(CC(=O)Nc1ccc(N)cc1)[C@H]1CCNC1=O 2171235847 MAKIETZEZORECZ-LBPRGKRZSA-N 276.340 0.418 10 10 CCCE CO[C@H]1COC[C@@H]1N(C)CC(=O)Nc1ccc(N)cc1 2177271324 PHAQGMGAVBVKFM-STQMWFEESA-N 279.340 0.553 10 10 CCCE CO[C@H]1C[C@H](CO)N(c2ccc(CO)c([N+](=O)[O-])c2)C1 2188573986 MRJHYVNRTQAQKC-NEPJUHHUSA-N 282.296 0.673 10 10 CCCE NC(=S)C[C@H]1C[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)C1 2188916601 QMZPAZWVCGIKOX-WRXNHJIOSA-N 296.348 0.988 10 10 CCCE C[C@@H](O)c1cc(F)c(N2CC[C@@](O)(C(N)=O)C2)c(F)c1 2194510155 IYCINKSYDJKCBE-UHLUBPPHSA-N 286.278 0.445 10 10 CCCE C[C@@H](O)c1cnc(Sc2nc(O)n(C)c(=O)n2)s1 2041816479 OXUXINIUXRPNDH-SCSAIBSYSA-N 286.338 0.542 10 10 CCCE C[S@](=O)C1CN(c2ccc3c(c2)NC(=O)[C@H]3O)C1 2051891501 FWAFNPIUISDILM-VOJFVSQTSA-N 266.322 0.239 10 10 CCCE Nc1ccc(OCC(=O)NC2C[C@@H]3CNC[C@H]3C2)cc1 2191753947 LMLWQRKJTZHJCT-GHMZBOCLSA-N 275.352 0.762 10 10 CCCE C[C@@H]1CNC(=O)CN1c1ccc(CN)c(F)c1F 2060851550 OLPDMZDOFJMZMV-SSDOTTSWSA-N 255.268 0.748 10 10 CCCE CN1C[C@@H]2C[C@H]1CN2C(=O)CCOc1ccc(N)cc1 2187565662 YGSMVFGBYKMPOU-STQMWFEESA-N 275.352 0.953 10 10 CCCE C[C@@H](N)[C@@H]1CCN1C(=O)c1cc(O)c(O)c(O)c1 2068620763 JOENYOAQJHXBGD-SVRRBLITSA-N 252.270 0.365 10 10 CCCE C[C@H](NC(=O)[C@H](N)Cc1ncns1)c1ccccc1O 2192625667 NQUAGDWMHWJPDP-WCBMZHEXSA-N 292.364 0.991 10 10 CCCE CC[C@H](NCc1ccc(O)c(O)c1O)C(=O)N(C)C 2100227203 ARRYYLXLVQWIAT-VIFPVBQESA-N 268.313 0.760 10 10 CCCE C[C@@H]1NCC[C@@H](C)[C@@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 2080211980 MITDFVDYJPKROZ-TUTUZKQUSA-N 252.358 0.886 10 10 CCCE C[C@@H](NC(=O)N1CCC[C@@H]1CN=[N+]=[N-])S(C)(=O)=O 2082959232 LSCCNRLHZJFYEC-JGVFFNPUSA-N 275.334 0.861 10 10 CCCE CCOC(=O)[C@@H](O)CNCc1cccc(C)c1O 2084060931 NOFNBPSCLDUWCJ-NSHDSACASA-N 253.298 0.714 10 10 CCCE COC[C@@H](CCO)Nc1c(N)cccc1C(=O)OC 2108742835 HVRMKLHSPSOZOD-SECBINFHSA-N 268.313 0.865 10 10 CCCE NCc1ccc(N2C[C@H](CO)C[C@H]2CO)c(F)c1F 2089906609 DKIRRWSBNFOBQH-SCZZXKLOSA-N 272.295 0.603 10 10 CCCE CN(C)c1ccc([C@@H](O)[C@H](N)c2cn(C)nn2)cc1 2091606645 NLSWWEXZYJVDHH-CHWSQXEVSA-N 261.329 0.615 10 10 CCCE Nc1ccc(NC(=O)CCCN2CC(CO)C2)cc1 2092549245 SFIJOHSHIFLLPV-UHFFFAOYSA-N 263.341 0.912 10 10 CCCE OCc1ccc(N2CCC([C@@H](O)CO)CC2)c(F)c1 2096158919 VYWUVSBWDHAEMW-AWEZNQCLSA-N 269.316 0.888 10 10 CCCE Cc1cnn(C)c1Cn1ccc2c(c1=O)CNCC2 2098078871 UUZMXPDHQVPZJM-UHFFFAOYSA-N 258.325 0.584 10 10 CCCE C[C@@H]1CN(C(=O)c2ccc(O)c(O)c2)CCCN1 2217966776 MBVWFQRJSUXQJM-SECBINFHSA-N 250.298 0.922 10 10 CCCE CC(C)(C)OC(=O)N1CC=C[C@H]1COc1nnc(=N)[nH]n1 2209554962 WNCYPSKITQEDGA-QMMMGPOBSA-N 294.315 0.233 10 10 CCCE O[C@H]1CN(c2ccc3c(c2)OCCCO3)C[C@H]1O 2219640738 KOMTZVBCYQUIBM-PHIMTYICSA-N 251.282 0.390 10 10 CCCE O[C@H]1[C@H]2C[C@@H]([C@H]1O)N(c1ccc3c(c1)OC(F)(F)O3)C2 2235064106 GAQCFTUPFTWCIJ-LAEUOODISA-N 285.246 0.938 10 10 CCCE COc1ccc(N(C)[C@@H]2CC(=O)NC2=O)c(CN)c1 2227677253 ZHONGUOWPPYTIZ-LLVKDONJSA-N 263.297 0.005 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1[C@H]2CC[C@H](O)[C@H]1CC2 2238213858 AJHQAUREJBICPQ-BBBLOLIVSA-N 279.292 0.931 10 10 CCCE C[C@H](CN)CC1CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2238721621 HYFVTKGNOKNFLZ-QMMMGPOBSA-N 280.324 0.860 10 10 CCCE Cc1cc(O)cc(C)c1NS(=O)(=O)N1CCNC[C@H]1C 2239734431 JNWLCAXZOXOFSE-LLVKDONJSA-N 299.396 0.959 10 10 CCCE Cc1cc([C@@H](C)N)ccc1N1CCC[C@](O)(C(N)=O)C1 2240734293 BDWQGCCLIYANGV-IAQYHMDHSA-N 277.368 0.831 10 10 CCCE CN[C@H](C)c1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CO)c(C)c1 2240840267 PZLXXDMKTOLRBZ-RABLLNBGSA-N 280.368 0.178 10 10 CCCE CSc1ncc(CNC(=O)[C@@H]2CNC[C@@H](O)C2)s1 2256948974 OKCALBBKIMSYEQ-YUMQZZPRSA-N 287.410 0.452 10 10 CCCE COC(=O)NC[C@@H](C)NCc1ccc(O)cc1O 2258249868 WMNDMWVFOIPMJI-MRVPVSSYSA-N 254.286 0.932 10 10 CCCE CNCC(C)(C)N(C)C(=O)c1cc(O)nc(O)c1 2260439866 HMRASXWJGLJOTL-UHFFFAOYSA-N 253.302 0.563 10 10 CCCE OC[C@@H](O)[C@H]1CCN1c1ccc2c(c1)OCCCO2 2270714557 XSTYKZNCQKVXCJ-VXGBXAGGSA-N 265.309 0.780 10 10 CCCE CN(C)S(=O)(=O)[C@@H]1CCN(Cc2ccccc2O)C1 2264588085 CORMBHBIAVLHDS-GFCCVEGCSA-N 284.381 0.858 10 10 CCCE Cc1cc(N2CC(NS(C)(=O)=O)C2)ccc1[C@@H](C)O 2269687161 JDJQXSPXERNLFW-SNVBAGLBSA-N 284.381 0.786 10 10 CCCE C[C@@H](N)c1ccc(N2C[C@@H]3OC[C@H](CO)O[C@@H]3C2)cc1 2279902891 JBEATKNJAJOOQW-SDJAHQOYSA-N 278.352 0.671 10 10 CCCE CO[C@@H]1CCN(CCNC(=O)Cc2ccc(N)cc2)C1 2283058760 YYILLNHQRGOAOS-CQSZACIVSA-N 277.368 0.648 10 10 CCCE OCc1ccc(N2CC([C@@H](O)CO)C2)c(Cl)c1 2300047764 NYCJSNDKVXXPRU-LBPRGKRZSA-N 257.717 0.622 10 10 CCCE [N-]=[N+]=NCCCCNC(=O)[C@H]1COC[C@@H]1C(=O)O 2316419387 UKAXGLSRDCNUNF-YUMQZZPRSA-N 256.262 0.540 10 10 CCCE O=C(O)CC(=O)N1CCc2cc(O)c(O)cc2C1 2318626675 PVOAUHUXLVQCPD-UHFFFAOYSA-N 251.238 0.457 10 10 CCCE O=C(N[C@H]1C[C@@H](CO)[C@H]2C[C@@H]12)c1cc(O)nc(O)c1 2329884387 DZSPGCYBKMMRGP-JLIMGVALSA-N 264.281 0.240 10 10 CCCE COc1ccc(N2C[C@@H](OC)[C@@H](OC)[C@H]2CO)cc1 2333690499 IODPHWFQOMRKJK-MCIONIFRSA-N 267.325 0.906 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3C[C@@H](O)[C@H](C4CC4)C3)ccc21 2353983084 WCPINWMCFZFGND-IACUBPJLSA-N 273.336 0.846 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N3C[C@@H]4C[C@H](O)[C@H]3C4)cc21 2355620653 RHXSUIMCKWTJJI-ISTUKMMPSA-N 273.336 0.622 10 10 CCCE CCCNCc1ccc(N(CC(N)=O)CC(N)=O)cc1C 61808280 RWDGYWKEEDZTFO-UHFFFAOYSA-N 292.383 0.272 10 10 CCCE COCCNC(=O)CN(C)C(=O)CCc1ccc(N)cc1 42272001 BZZNDIZAJYUDRI-UHFFFAOYSA-N 293.367 0.422 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC(CO)C2)cc1 227220775 WMMQBUUEEQJQQD-UHFFFAOYSA-N 256.327 0.023 10 10 CCCE C[C@@H](NCc1ccc2c(c1)CCO2)C(=O)N1CCOCC1 134490177 OTNWQPFYZSHUPW-GFCCVEGCSA-N 290.363 0.958 10 10 CCCE CN(C)c1ccc(CNC(=O)c2nonc2N)cc1 49834670 HARVIYZQJGUCMG-UHFFFAOYSA-N 261.285 0.648 10 10 CCCE COc1cccc(CN[C@@H]2CC(=O)N(C)C2=O)c1O 88775857 MQGPAAYSUIVHNS-SECBINFHSA-N 264.281 0.248 10 10 CCCE C[C@@H](c1ccc(O)cc1O)N(CC(=O)O)CC(=O)O 86774112 ZBRCDEZQKJDSHK-ZETCQYMHSA-N 269.253 0.630 10 10 CCCE C[C@]1(CNC(=O)c2ccc(O)c(O)c2)CCCN1 235721708 SFCMJPKIOSLTGU-CYBMUJFWSA-N 250.298 0.970 10 10 CCCE C[C@H](N)c1ccc(N2CC(=O)NC(=O)C2)c(Cl)c1 97268849 OUSASZBVFMZRNO-ZETCQYMHSA-N 267.716 0.823 10 10 CCCE Nc1ccc(OCCC(=O)N2CC([C@H](F)CO)C2)cc1 2166897942 CAROICOZTIAEKR-CYBMUJFWSA-N 282.315 0.827 10 10 CCCE Nc1ccc(CNS(=O)(=O)C2CC3(C2)OCCO3)cc1 2252839364 PBBIWYPWEUMEND-UHFFFAOYSA-N 298.364 0.594 10 10 CCCE CN1CCN(Cc2cc(CN)c(O)cc2O)CC1 642880073 IPHUFMFEUFWAEN-UHFFFAOYSA-N 251.330 0.304 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CCCN(C=O)CC2)cc1 2163000265 BKHKOMQWXOTXTD-UHFFFAOYSA-N 297.380 0.263 10 10 CCCE CCOCC1CN(C[C@H](O)COc2ccc(N)cc2)C1 2165852291 BHIHKKIJMIIAON-AWEZNQCLSA-N 280.368 0.977 10 10 CCCE C/C=C\CNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 395058004 YONHBTJWHMDEPH-ZMWSMAPVSA-N 250.298 0.660 10 10 CCCE CN[C@@H](C)c1ccc(N2CC[C@@H](C(N)=O)C2)cc1O 723171581 TVHRUEVDANLXBY-VHSXEESVSA-N 263.341 0.984 10 10 CCCE COc1cccc(CNC(=O)[C@@H]2[C@H]3COC[C@H]32)c1O 830540425 JHIBAXYWLIEISS-IAZYJMLFSA-N 263.293 0.909 10 10 CCCE COC(=O)[C@@H](C)NC(=O)Cc1ccc(O)c(O)c1 1545737388 HVVMVUGSLAVJKG-SSDOTTSWSA-N 253.254 0.318 10 10 CCCE Nc1ccc(CCNC(=O)[C@H](O)C2CCOCC2)cc1 843342250 LBEHMAHMWGNKHN-CQSZACIVSA-N 278.352 0.715 10 10 CCCE CCOC(=O)[C@@H]1CC[C@@H]1C(=O)OCC(=O)C(C)=O 923237570 AHWZMOHTXLIQFG-BDAKNGLRSA-N 256.254 0.277 10 10 CCCE COc1c([N+](=O)[O-])ccc(CNC2(CO)CC2)c1O 775052732 XLNVAINRMJBHAX-UHFFFAOYSA-N 268.269 0.924 10 10 CCCE Nc1ccc(-n2ccc(C(=O)N3CCC3=O)n2)cc1 1876431265 GCEUJVBGMPDPBV-UHFFFAOYSA-N 256.265 0.827 10 10 CCCE CCN(C(=O)CCOc1ccc(N)cc1)C1CNC1 1876450493 BXUXOIUWVAVTJV-UHFFFAOYSA-N 263.341 0.858 10 10 CCCE CCO[C@@H]1C[C@H](N)[C@@H]1Nc1c(N)cccc1C(=O)O 1876458204 AAAJEJRNFDIADZ-UMNHJUIQSA-N 265.313 0.884 10 10 CCCE CN(CCN=[N+]=[N-])C(=O)[C@H](CO)NC(=O)OC(C)(C)C 1882297542 CQKDMHWSSQAWKU-QMMMGPOBSA-N 287.320 0.641 10 10 CCCE C[C@H](O)c1cc(F)c(N2C[C@@H](CO)[C@@H](O)C2)c(F)c1 1880480104 SSTCFMDOMSPQQG-DXBFQKDVSA-N 273.279 0.808 10 10 CCCE COc1ccc([C@H](N)c2nnc(CC(=O)O)o2)c(O)c1 83588155 WSFZARPWFOGOAW-NSHDSACASA-N 279.252 0.459 10 10 CCCE CN(C(=O)CCSCC(N)=O)c1ccc(N)cc1 702086945 PUAPUUWLDBEXRM-UHFFFAOYSA-N 267.354 0.840 10 10 CCCE COC[C@H]1CN(c2cc3c(cc2N)OCCO3)CCO1 705872139 QBANTIJIAQXFIA-SNVBAGLBSA-N 280.324 0.892 10 10 CCCE NCC[C@H]1COCCN1C(=O)c1ccc(O)c(O)c1 694976937 VPHOHTQQEGNSCJ-JTQLQIEISA-N 266.297 0.288 10 10 CCCE CSCC[C@@H](O)C(=O)NCc1cccc(O)c1O 1349076924 AMLGVHPAWJYRMB-SNVBAGLBSA-N 271.338 0.828 10 10 CCCE O=C1CC[C@H](C(=O)NCc2ccc(O)cc2O)CCN1 1262180119 OWBLSQOSKLWVPQ-VIFPVBQESA-N 278.308 0.630 10 10 CCCE CN(Cc1ccccc1O)C(=O)CC1CS(=O)(=O)C1 1351801873 SWZNHOZKTDEBKG-UHFFFAOYSA-N 283.349 0.785 10 10 CCCE Cn1cccc([C@H](NCCCN=[N+]=[N-])C(=O)O)c1=O 2121263327 MDYBDNQBDRBCPS-VIFPVBQESA-N 265.273 0.801 10 10 CCCE O=C(O)c1cc(O)ccc1NS(=O)(=O)c1nc[nH]n1 2122590000 ZNMGPHZWYFBPSE-UHFFFAOYSA-N 284.253 0.009 10 10 CCCE NC(=O)C1(C(=O)NCc2ccc(O)cc2O)CCC1 1557084463 ACKMBAHGVFJMCZ-UHFFFAOYSA-N 264.281 0.370 10 10 CCCE O=C(Cc1cnc[nH]1)NCCc1ccc(O)c(O)c1 1630334552 ADYXUFMZOPAERH-UHFFFAOYSA-N 261.281 0.722 10 10 CCCE C[C@@H]1CS(=O)(=O)CCN1C(=O)Cc1ccc(O)c(O)c1 1638646374 VUOTUYMLMJWEPA-SECBINFHSA-N 299.348 0.286 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CCN2C(=O)OC[C@@H]2C1 1635509686 PKXSATHYYAFACH-JTQLQIEISA-N 292.291 0.303 10 10 CCCE CC(C)OC(=O)NS(=O)(=O)N(C)CCCN=[N+]=[N-] 1912182278 ZNCGSUKRAHKIPV-UHFFFAOYSA-N 279.322 0.998 10 10 CCCE CS(=O)(=O)NCC(=O)N1CCCC[C@H](CN=[N+]=[N-])C1 1912200446 HRPXYKZZEYDZGO-SECBINFHSA-N 289.361 0.475 10 10 CCCE CC(C)(CNC(=O)c1cc(O)cs1)CS(N)(=O)=O 1587420284 XKIMKZATEPYAST-UHFFFAOYSA-N 292.382 0.498 10 10 CCCE [N-]=[N+]=NCCCNC1(C(N)=O)CC(n2ccnc2)C1 2125750105 MTXQEXYUSNSDHC-UHFFFAOYSA-N 263.305 0.732 10 10 CCCE CN(C[C@]1(O)CCOC1)C(=O)Nc1ccc(N)cc1 2129446708 WKCVPDCQIBSPCU-CYBMUJFWSA-N 265.313 0.884 10 10 CCCE O=C(NC1(C(=O)O)CCC1)c1cc(O)c(O)c(O)c1 2132348269 HRXYIXJQBBVFSD-UHFFFAOYSA-N 267.237 0.541 10 10 CCCE CON(CCC(=O)O)C(=O)c1cc(O)c(O)c(O)c1 2132348805 SQNRVTFGCLGQLA-UHFFFAOYSA-N 271.225 0.282 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC[C@@]23CCOC3)cc1 1915359710 BAKIBHJJLPCUEQ-ZDUSSCGKSA-N 282.365 0.963 10 10 CCCE C[C@@H](N)c1ccc(N2CCCN(CCO)CC2)cc1O 227351236 SQKXBIDTHWXKIM-GFCCVEGCSA-N 279.384 0.916 10 10 CCCE NC[C@@H]1C[C@@H](F)CN1C(=O)c1cc(O)nc(O)c1 1923565391 DMAGKNYHGIRTKI-SFYZADRCSA-N 255.249 0.004 10 10 CCCE COc1cccc(CNC2CN(C(C)=O)C2)c1O 1926265874 KYTTXIMWOZXEKS-UHFFFAOYSA-N 250.298 0.721 10 10 CCCE C[C@H](CNC(=O)[C@@H]1CNc2ccccc2N1)N(C)C 229880103 OZGKRUHLNTXCFO-MFKMUULPSA-N 262.357 0.959 10 10 CCCE NCCCOC1CN(C(=O)c2ccc(O)c(O)c2)C1 2141960927 JHVXZRPVNNHERG-UHFFFAOYSA-N 266.297 0.288 10 10 CCCE CN1C[C@@H](O)[C@H](NCc2cc(Cl)ccc2O)C1 1942695966 MEVJVGVHAQYIOA-ZYHUDNBSSA-N 256.733 0.810 10 10 CCCE O=C1C[C@@H](NCc2c(O)cccc2Cl)C(=O)N1 1947010360 HROCQRYCIPSGBY-MRVPVSSYSA-N 254.673 0.550 10 10 CCCE Nc1ccc(CS(=O)(=O)NCC2COC2)cc1 1948518338 KUQZAXZHBMTWIV-UHFFFAOYSA-N 256.327 0.335 10 10 CCCE CCOC(=O)[C@@]1(c2cccc(O)c2O)CCNC1 1951724296 NPEJMLHVBLADHE-ZDUSSCGKSA-N 251.282 0.892 10 10 CCCE CCOC(=O)c1cc(OC)c(O)c([C@@H](N)CO)c1 260331540 LJSHPJWLMLRKKU-VIFPVBQESA-N 255.270 0.570 10 10 CCCE Cc1nc(N(CC(N)=O)Cc2ccc(N)cc2)n(C)n1 2149819513 FVXKEAUOJWFUDL-UHFFFAOYSA-N 274.328 0.198 10 10 CCCE CN1C(=O)C(=O)N(CCOc2ccc(N)cc2)C1=O 36671622 JGXUZYIXZANCMQ-UHFFFAOYSA-N 263.253 0.068 10 10 CCCE COc1cccc(CN2C[C@@H](N)C[C@H](C(N)=O)C2)c1O 2151020827 GCHJOIIYRVWMHD-QWRGUYRKSA-N 279.340 0.035 10 10 CCCE COC[C@]1(O)CCCN(C(=O)c2cccc(O)c2O)C1 2151839306 RJHDQBPQCPXEPV-AWEZNQCLSA-N 281.308 0.711 10 10 CCCE CC(C)OC(=O)CN(CC(N)=O)Cc1ccc(N)cc1 43446651 WYZAPIVQYSULHU-UHFFFAOYSA-N 279.340 0.508 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CCOC[C@@H](CO)C3)ccc21 2154455806 JUSRETZVKJANAQ-RNCFNFMXSA-N 277.324 0.084 10 10 CCCE CN(C(=O)COc1ccc(N)cc1)[C@@H]1CN2CC[C@H]1C2 2158737892 IHHRQEDXYYLFAS-SMDDNHRTSA-N 275.352 0.810 10 10 CCCE OCc1cc(F)c(N2CC[C@H](N3CC(O)C3)C2)c(F)c1 2158745460 CCRBPWQVZMFGRO-JTQLQIEISA-N 284.306 0.712 10 10 CCCE COc1cc(N2CCS(=O)CC2)ccc1CO 2024763374 RWYXJBWXTSOZDW-UHFFFAOYSA-N 255.339 0.756 10 10 CCCE Nc1ccc(CN2C[C@@H]3[C@H](CCS3(=O)=O)C2)cc1 2028423431 SAZTYZUDNSVKCP-DGCLKSJQSA-N 266.366 0.888 10 10 CCCE C[C@@H](CC(N)=O)N(C)C(=O)Nc1ccc(N)cc1 2033933461 LKMBJEDPKQYINX-QMMMGPOBSA-N 250.302 0.996 10 10 CCCE CN(C)C[C@@H]1CCN1c1ccc2c(c1)N(C)C(=O)[C@@H]2N 2160883754 XJJGNEMURFYWKK-SMDDNHRTSA-N 274.368 0.803 10 10 CCCE COCCNC(=O)NC(=O)CN1CCC[C@H]1CN=[N+]=[N-] 2179612855 NFEXXXNKYXYVEA-VIFPVBQESA-N 284.320 0.233 10 10 CCCE COCCOC1CN(c2ccc3c(c2)NC(=O)[C@@H]3N)C1 707611293 IVCOYTAQUDULFZ-CYBMUJFWSA-N 277.324 0.490 10 10 CCCE CCNC(=O)C[S@@](=O)[C@@H](C)C(=O)Nc1ccc(N)cc1 379844457 LALDKUAGFORPFP-GWNMQOMSSA-N 297.380 0.481 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCN1S(=O)(=O)c1cn[nH]c1 692908180 CUJFEDOKXJUJQV-ZETCQYMHSA-N 256.291 0.873 10 10 CCCE C[C@@H]1CCN(C(=O)c2cccc(O)c2O)CCN1 382759566 XDCVRYBFGFSARC-SECBINFHSA-N 250.298 0.922 10 10 CCCE CN1CC(NS(=O)(=O)Cc2ccc(N)cc2)C1 383092857 LWMPJSUTYOCIQJ-UHFFFAOYSA-N 255.343 0.002 10 10 CCCE C[C@H]1CN(c2cc3c(cc2N)NC(=O)CC3)CC(=O)N1 387312500 QCPDUAKTTOGRDU-QMMMGPOBSA-N 274.324 0.478 10 10 CCCE Nc1ccc(OCC(=O)N2[C@H]3CC[C@H]2C(=O)NC3)cc1 2172388724 FCCGEURBIZZFDN-JQWIXIFHSA-N 275.308 0.137 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1C[C@@H]2CC[C@H](O)C[C@H]2C1 398853979 UQUMXGAQZHOHSA-LSJOCFKGSA-N 278.308 0.726 10 10 CCCE C[C@]1(NC(=O)c2cccc(O)c2O)CCC(=O)NC1=O 2172844897 ZUHMOJHXGMEIRH-ZDUSSCGKSA-N 278.264 0.023 10 10 CCCE CN1CCO[C@@H]2CN(C(=O)c3cccc(O)c3O)C[C@H]21 790887665 FNCAGQFDIHCKHO-ZYHUDNBSSA-N 278.308 0.253 10 10 CCCE O=C(N[C@]1(C(=O)O)CCCOC1)c1ccc(O)c(O)c1 2169558599 LCEKPTIWTZOBJV-CYBMUJFWSA-N 281.264 0.461 10 10 CCCE C[C@H](NS(=O)(=O)CS(C)(=O)=O)c1ccccc1O 1260594831 IYGGVJYXXSPIQK-QMMMGPOBSA-N 293.366 0.375 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NC[C@H]1CCC[C@@H]1O 1141902186 CWLLUBJSRQDGNX-MNOVXSKESA-N 265.309 0.918 10 10 CCCE C[C@H](NC(=O)[C@@H]1CO[C@@H]2CNC[C@H]21)c1ccccc1O 2192623761 STTGZRRXXORILH-PQFRYHKHSA-N 276.336 0.804 10 10 CCCE C[C@@H](NC(=O)C(F)(F)C1(O)CNC1)c1ccccc1O 2192625034 WHZJSEQOTNIEFH-MRVPVSSYSA-N 286.278 0.539 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@H]2CCN3CC[C@H]2C3)cc1 2192798788 DKHYCCANONSROT-GXTWGEPZSA-N 295.408 0.782 10 10 CCCE CC1(C)C[C@@H](O)[C@H](O)CN1C(=O)Cc1ccc(N)cc1 2188668636 ACJYZBQGFORDAO-CHWSQXEVSA-N 278.352 0.544 10 10 CCCE O=C1[C@H]2CC[C@H]1CN(C(=O)c1cc(O)c(O)c(O)c1)C2 2188923331 KTAXQNBPRMLVKM-YUMQZZPRSA-N 277.276 0.855 10 10 CCCE Cn1ncc(CNC(=O)c2cc(O)c(O)c(O)c2)c1N 2188912685 LXTRTHIRPRCEJU-UHFFFAOYSA-N 278.268 0.049 10 10 CCCE CCN[C@H](c1ccccc1O)[C@@H](O)c1nnn(CC)n1 2197837209 HFTSODUGHWOXLS-VXGBXAGGSA-N 277.328 0.783 10 10 CCCE COC(=O)[C@](C)(NCCCN=[N+]=[N-])[C@@]1(C)CCN1 2045136327 MMYCEXZDODQEDB-MNOVXSKESA-N 255.322 0.960 10 10 CCCE [N-]=[N+]=N[C@@H]1CCCN(CC(CO)(CO)CO)CC1 2059269839 OPJDLZMIBWCIOP-SNVBAGLBSA-N 258.322 0.115 10 10 CCCE Nc1ccc(OCCC(=O)N[C@@H]2C[C@H]3C[C@H]2CN3)cc1 2191755878 KUWGPONCWYWPNZ-ZKYQVNSYSA-N 275.352 0.904 10 10 CCCE [N-]=[N+]=NCCCN[C@@]1(C(=O)O)C[C@H]2CC[C@H]1CN2 2071500591 HZSZNITVKKXUJT-NGZCFLSTSA-N 253.306 0.872 10 10 CCCE CC1(C)OC[C@@H](NC(=O)COc2ccc(N)cc2)[C@@H]1O 2199458603 UITKUNGQTQULNK-YPMHNXCESA-N 280.324 0.302 10 10 CCCE Oc1cccc(CNC[C@@H]2CO[C@@H]3COC[C@@H]32)c1O 2101838650 FFVRKSIVUAVAON-NQBHXWOUSA-N 265.309 0.849 10 10 CCCE C[C@@H](CCC(=N)NO)NC(=O)c1cccc(O)c1O 2104361105 AWNXVWZOCWVMFF-ZETCQYMHSA-N 267.285 0.952 10 10 CCCE Cc1cc(N2CCNCC2)ccc1OCS(C)(=O)=O 2107423443 ZGNXIODVDTXLBF-UHFFFAOYSA-N 284.381 0.786 10 10 CCCE CCS(=O)(=O)NC1CN(c2ccc(CNC)cc2)C1 2109294900 YUSYTDBZYKDGRY-UHFFFAOYSA-N 283.397 0.534 10 10 CCCE CN([C@H]1CCN(c2ccc(CN)cc2)C1)S(C)(=O)=O 2090798357 CGPIOJGDMFRAPQ-ZDUSSCGKSA-N 283.397 0.615 10 10 CCCE Nc1ccc(OCCN2CC(=O)N[C@@H]3CC[C@@H]32)cc1 2112061096 JIWYEQMFTNVOFE-OLZOCXBDSA-N 261.325 0.610 10 10 CCCE CN(CC(F)(F)CO)c1ccc2c(c1)NC(=O)[C@H]2N 2094620007 VBPUTQOAIJFQLD-JTQLQIEISA-N 271.267 0.702 10 10 CCCE Cc1cc(CN)ccc1N1CCN(C[C@H](C)O)CC1 2113858303 GRQJGANPBZXYCQ-ZDUSSCGKSA-N 263.385 0.957 10 10 CCCE Nc1cc2c(cc1N1C[C@@H](CO)[C@@H](F)C1)OCCO2 2120624132 CPOHJFRIUMBFLZ-IUCAKERBSA-N 268.288 0.807 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCN([C@H]2CC(CO)(CO)C[C@@H]2O)C1 2206389106 AWIFEVXSKBHHJZ-SRVKXCTJSA-N 284.360 0.503 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC[C@@H]3[C@@H](O)C[C@H]3C2)cc1 2232878457 DATCBFNYLPULJW-UBHSHLNASA-N 296.392 0.801 10 10 CCCE C[C@H](c1cc(O)ccc1O)N1C[C@@H]2CN[C@H](CO)[C@H]2C1 2235570904 WKHBJDMWBABDBM-XXSPCDMZSA-N 278.352 0.671 10 10 CCCE [N-]=[N+]=NC1CCN(C(=O)[C@@H]2CC[C@@H](C(=O)O)O2)CC1 2225793099 SPATYZUCAGBWOM-IUCAKERBSA-N 268.273 0.920 10 10 CCCE COc1ccc(N2C[C@H]3COC[C@@H](C2)C3O)c(CO)c1 2236002025 LFWKLCMLLOLFHR-ODOQXGPZSA-N 279.336 0.631 10 10 CCCE CN(C(=O)c1cc(O)nc(O)c1)[C@@H](CO)CC1CC1 2226159294 FKHGEPIEZJWJGW-SNVBAGLBSA-N 266.297 0.726 10 10 CCCE C[C@H](N)c1ccc(N2C[C@@H](CO)C[C@@H](CO)C2)cc1O 2236636660 ONRJRRCJDRMRLW-SDDRHHMPSA-N 280.368 0.839 10 10 CCCE OC[C@H]1C[C@@H](CO)N(c2ccc3c(c2)COCC3)C1 2226710975 OBHHWGFHABLGLM-NHYWBVRUSA-N 263.337 0.939 10 10 CCCE COc1cc(N2CCC[C@@H]2CC(N)=O)ccc1CN 2270235073 ZQTMCWFGVLONRU-LLVKDONJSA-N 263.341 0.998 10 10 CCCE COc1ccc(CN2C[C@@H](O)CC[C@H]2C(=O)O)c(O)c1 2279208861 XXGWJACBZIIBQA-JQWIXIFHSA-N 281.308 0.811 10 10 CCCE COc1cc(OC)c(N2CCOC[C@H](O)C2)c(OC)c1 2287068410 LIKYHVWMSJPGIU-SNVBAGLBSA-N 283.324 0.910 10 10 CCCE COC[C@H]1C[C@H](CN)N(C(=O)Cc2ccc(N)cc2)C1 2289595194 HXBPASUXAUKCQX-GXTWGEPZSA-N 277.368 0.634 10 10 CCCE O=C(O)[C@H](CO)N1C(=O)C(=Cc2ccc[nH]2)SC1=S 2323831565 DHYXXTXHRUNGQN-ZETCQYMHSA-N 298.345 0.661 10 10 CCCE CS(=O)(=O)[C@H]1CC[C@H]1NCc1cccc(O)c1O 2319785170 UDWXFJJBPSEZJE-KOLCDFICSA-N 271.338 0.763 10 10 CCCE COC(=O)[C@@H](N)CN(C)[C@@H](C)c1ccccc1O 2320392171 DEWLYAHSHPHLLM-ONGXEEELSA-N 252.314 0.885 10 10 CCCE CSc1cc(N2CC[C@@H](O)[C@H](O)C2)ccc1CN 2328547431 FKFSXXGEHYGIKZ-VXGBXAGGSA-N 268.382 0.799 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N3C[C@@H]4COC[C@@H]43)cc21 2331658007 HQSNVDTWFIWVDC-JCOFBHIZSA-N 259.309 0.498 10 10 CCCE O=C(O)[C@@H]1[C@@H]2C[C@H]1N(C(=O)c1ccc(O)c(O)c1)C2 2333062012 BZBIJFNAERYKCN-SOCHQFKDSA-N 263.249 0.643 10 10 CCCE CO[C@H]1CCC[C@H]1NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 50374155 HUSIQVYCBIEVAE-WDMOLILDSA-N 294.351 0.651 10 10 CCCE COCCNC(=O)[C@@H](C)N(C)c1ccc(N)cc1 20422597 PAVNXWMFYKFVKN-SNVBAGLBSA-N 251.330 0.856 10 10 CCCE COCCCNC(=O)COC(=O)COc1ccc(N)cc1 49283482 ZWPUCBHPKQERSB-UHFFFAOYSA-N 296.323 0.344 10 10 CCCE COC[C@H](O)CN1CCN(c2ccc(OC)c(F)c2)CC1 84963961 CQQQZYLNMOQGRA-CYBMUJFWSA-N 298.358 0.964 10 10 CCCE CO[C@H]1CC[C@H]1CS(=O)(=O)N1CC(N=[N+]=[N-])C1 2216900721 WBOBAYBAIRVHBD-CBAPKCEASA-N 260.319 0.736 10 10 CCCE CN(C)N=Nc1[nH]cnc1C(=O)N1CCOCC1 254480404 NWNFUOIXMIFBOX-UHFFFAOYSA-N 252.278 0.442 10 10 CCCE CNC(=O)CN1CCN(Cc2cc(C)ccc2O)CC1 700796736 HQZPHWXLSBFDHN-UHFFFAOYSA-N 277.368 0.564 10 10 CCCE CS(=O)(=O)NC1CN(c2ccc(/C=C\C(=O)O)cc2)C1 703011488 QUFLKJNGIHSXKP-DAXSKMNVSA-N 296.348 0.522 10 10 CCCE Nc1cc2c(cc1N1CC(=O)N[C@@H]3CC[C@@H]31)OCCO2 2168362603 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Cc1cc(N2C[C@H]3C[C@H]2CN3C(N)=O)ccc1CN 1877073491 GYHSIRFYXMQIKN-QWHCGFSZSA-N 260.341 0.795 10 10 CCCE COc1cc(O)c(CNCc2cn(C)nn2)cc1OC 783601953 ARAQHPURTPQLGE-UHFFFAOYSA-N 278.312 0.828 10 10 CCCE C[C@@H]1[C@@H](C)[C@](NCCCN=[N+]=[N-])(C(N)=O)CCN1C 1879248420 ZPJGDQSIOUTTKR-FOGDFJRCSA-N 268.365 0.861 10 10 CCCE CN[C@@H]1CCSC[C@H]1NC(=O)c1ccc(O)c(O)c1 1896157581 IYZNXMBOCGPTRM-NXEZZACHSA-N 282.365 0.921 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CC[C@H]4COC[C@@H]43)ccc21 1899149041 RFFOIGXOROREOX-HJIKLVIJSA-N 259.309 0.864 10 10 CCCE CS(C)(=O)=NCCNC(=O)Cc1ccc(O)c(O)c1 1303900810 WWIDQSNIKKEWCB-UHFFFAOYSA-N 286.353 0.484 10 10 CCCE CC[C@H](CCO)NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 134426235 OMKBSXTYENYLIR-MNOVXSKESA-N 282.340 0.245 10 10 CCCE CNC(=O)CN1CCNc2cc3c(cc21)OCCO3 76895603 WAWCFONTWLNVQG-UHFFFAOYSA-N 263.297 0.436 10 10 CCCE N[C@H](c1nnc(-c2nc[nH]n2)o1)c1ccc(O)cc1O 83539908 LMPJHUSYHIRQHA-QMMMGPOBSA-N 274.240 0.314 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1CCCSC1 136405720 GFJUBTNYXYJZEI-MNOVXSKESA-N 296.392 0.979 10 10 CCCE C[C@@H](NCCN(C)S(C)(=O)=O)c1ccc(O)cc1O 692465569 KBLYRVKFZSZRIY-SECBINFHSA-N 288.369 0.640 10 10 CCCE CN(C[C@H](O)C1CC1)c1cc2c(cc1N)OCC(=O)N2 690324840 AZZQQPAHYHMUGP-LBPRGKRZSA-N 277.324 0.807 10 10 CCCE Cc1cc(CN)ccc1N1CC[C@@](O)(CN(C)C)C1 713655336 OGCTXYULFKKDII-OAHLLOKOSA-N 263.385 0.957 10 10 CCCE O=C1NC(=S)S/C1=C/c1cn(C[C@H]2CCOC2)nn1 1329708255 ATIIEITVXQDNHB-WGJZWELTSA-N 296.377 0.803 10 10 CCCE Nc1ccc(CS(=O)(=O)N2[C@H]3CC[C@H]2COC3)cc1 695037528 HRUVTHWPHKKFOB-STQMWFEESA-N 282.365 0.962 10 10 CCCE O=C(O)[C@@H]1CN(C(=O)c2ccc(O)c(O)c2)CCS1 699261851 VLHZTHKONWLXIB-JTQLQIEISA-N 283.305 0.740 10 10 CCCE COc1ccc(N2C[C@@H](C)NC[C@H]2CO)cc1OC 217179481 BIXHJMUVPDUALV-PWSUYJOCSA-N 266.341 0.863 10 10 CCCE O=C1NC[C@]2(CCN(Cc3cc(F)ccc3O)C2)N1 2121193409 RXXWQTOPGPKBJZ-ZDUSSCGKSA-N 265.288 0.789 10 10 CCCE COC(=O)[C@@H](C)CNC(=O)Cc1ccc(O)c(O)c1 1626341807 RHUJIDFFULZCPT-QMMMGPOBSA-N 267.281 0.566 10 10 CCCE Cn1cc(C(=O)NCc2ccccc2O)nc1CN 2122988866 VRHZCEZJTFTZGL-UHFFFAOYSA-N 260.297 0.514 10 10 CCCE CON(C)C(=O)CNC(=O)/C=C\c1ccc(O)c(O)c1 1638304106 OZRZDIROJAYHTK-XQRVVYSFSA-N 280.280 0.247 10 10 CCCE COC[C@@H](CO)NC(=O)C=Cc1ccc(N(C)C)cc1 1911864445 TVHSFGPGIUYDCC-CYBMUJFWSA-N 278.352 0.889 10 10 CCCE OCCN[C@@H]1CCCN(c2ccc3c(c2)OCO3)C1 108131037 FPYBXQKKRBIVQF-LLVKDONJSA-N 264.325 0.966 10 10 CCCE C[C@]1(CO)C[C@@H](O)CN1c1ccc2c(c1)CC[C@H]2O 2128316086 ADQSDOLOIISRHH-BPLDGKMQSA-N 263.337 0.988 10 10 CCCE C[C@@H](C(=O)O)C1CN(C(=O)c2cc(O)nc(O)c2)C1 164973246 PEXNNXSTSCVHKB-ZCFIWIBFSA-N 266.253 0.286 10 10 CCCE C[C@H](c1ccccc1O)N(C)C(=O)Cn1cc(CN)nn1 167426432 BXRMYWZXXGWYPX-SNVBAGLBSA-N 289.339 0.662 10 10 CCCE O=[N+]([O-])c1cc(N2C[C@@H](O)C[C@H]2CO)ccc1CO 2132052835 GAOKZRQXOFHCLB-QWRGUYRKSA-N 268.269 0.019 10 10 CCCE C[C@@H](CC1CNC1)NC(=O)c1cc(O)c(O)c(O)c1 2132398879 ALFCEZTZUVFMAS-ZETCQYMHSA-N 266.297 0.531 10 10 CCCE C[C@@]1(N)CCCN(C(=O)c2cc(O)c(O)c(O)c2)C1 2132405340 YOQLIPRWAWEYKW-CYBMUJFWSA-N 266.297 0.757 10 10 CCCE C[C@H](N)c1ccc(N2CC(CO)(CO)C2)cc1O 1915005635 DGDWTPQVOKTMRW-VIFPVBQESA-N 252.314 0.203 10 10 CCCE C[C@H]1CN(C(=O)COc2ccc(N)cc2)CCN1C 104135774 CXWRWIXPWCIYCD-NSHDSACASA-N 263.341 0.810 10 10 CCCE C[C@@H](c1ccc(O)cc1O)N1C[C@H](O)C[C@H]1C(=O)O 2136110280 SDIMGUIFPWCNQP-NMLBEHRDSA-N 267.281 0.679 10 10 CCCE Cc1ccc(O)c(CN2CC[C@@](CO)(C(=O)O)C2)c1 2136395423 ZLKXAJPURHOONL-CQSZACIVSA-N 265.309 0.970 10 10 CCCE CN1CC[C@@H](CNCc2cc3c(cc2O)OCO3)C1=O 1967742617 IISKVMQVRFWZFA-VIFPVBQESA-N 278.308 0.689 10 10 CCCE NCC1CCN(CC(=O)NCc2ccccc2O)CC1 1923381161 HBIKHSIOOIDPJV-UHFFFAOYSA-N 277.368 0.679 10 10 CCCE Nc1ccc(NC(=O)NC[C@@]2(O)CCCNC2)cc1 2136619492 IDZHMZITOMHYJF-CYBMUJFWSA-N 264.329 0.505 10 10 CCCE COc1cc(N2CCCS(=O)(=O)CC2)ccc1CO 2139682135 CJCIWKYQMRNSQP-UHFFFAOYSA-N 285.365 0.812 10 10 CCCE Cc1c(N)c(=NCCOc2ccc(N)cc2)[nH]n1C 2142494685 KFALREMOXUTHJT-UHFFFAOYSA-N 261.329 0.806 10 10 CCCE CNCc1ccc(N2CC[C@H](N(C)S(C)(=O)=O)C2)cc1 2146935079 JILPVWJQSDGHDY-AWEZNQCLSA-N 297.424 0.876 10 10 CCCE CN(C[C@@H](O)COc1ccc(N)cc1)CC(C)(C)CO 2150981267 LEOKLJUEJRBZGP-CYBMUJFWSA-N 282.384 0.959 10 10 CCCE COc1cc(C2(C(=O)O)CCNCC2)cc(O)c1O 1952315973 WDCQZSNPKMOHPM-UHFFFAOYSA-N 267.281 0.812 10 10 CCCE CN(C)CCOc1ccc(N(C)[C@H]2CCNC2=O)cc1 2143376704 KKYXQOUEQJCYSU-AWEZNQCLSA-N 277.368 0.952 10 10 CCCE Nc1ccc(CCC(=O)N2C[C@@H]3C(C(=O)O)[C@H]3C2)cc1 2143629221 HLTJWTCHRDYRFZ-RYUDHWBXSA-N 274.320 0.990 10 10 CCCE O[C@H]1[C@@H]2C[C@H](C[C@@H]2NCc2ccc3c(c2)CCO3)[C@H]1O 1974159608 ZIBDCKYFAQLZIX-QUEVPRLRSA-N 275.348 0.841 10 10 CCCE C[C@@H](C(=O)O)C1CN(C(=O)Cc2ccc(O)c(O)c2)C1 2144029385 IKWXHSFKLQGMBW-MRVPVSSYSA-N 279.292 0.819 10 10 CCCE CC[C@@H](CO)NC(=O)c1ccn(-c2ccc(N)cc2)n1 35598921 PELHBYFECRFRNE-NSHDSACASA-N 274.324 0.955 10 10 CCCE COc1cc(N)c(N2C[C@H](CO)C[C@@H]2CO)cc1OC 2146078889 QEGUDPQOPNHGPU-NXEZZACHSA-N 282.340 0.466 10 10 CCCE CC[C@@H](O)c1ccc(N2CCOC[C@@H]2[C@H](O)CO)cc1 2146322488 BMLVCFBLGVNSQM-RBSFLKMASA-N 281.352 0.688 10 10 CCCE COC(=O)[C@H]1CCCN1C(=O)COc1ccc(N)cc1 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Nc1ccc(OCC(=O)N[C@H]2C[C@H]3C[C@H]2C[C@@H]3O)cc1 2160692599 BXLMBMCBCCLLEC-DJBIQUGXSA-N 276.336 0.923 10 10 CCCE Nc1ccc(NC(=O)N2CC[C@@H](S(N)(=O)=O)C2)cc1 707433867 XNONRDPLMCEXON-SNVBAGLBSA-N 284.341 0.164 10 10 CCCE CN(CCn1cnnc1)CC(=O)c1ccc(O)c(O)c1 707425072 IBDLERSMGNHHKR-UHFFFAOYSA-N 276.296 0.504 10 10 CCCE CNC(=O)[C@H]1CNCCN1c1ccc2c(c1)C[C@@H](C)O2 2162636746 MIGFOWGULWGUQU-ZWNOBZJWSA-N 275.352 0.534 10 10 CCCE CN1CC[C@H](N(C)c2ccc3c(c2)N(C)C(=O)[C@H]3N)C1 380779577 UHDZBSNAMJNCST-FZMZJTMJSA-N 274.368 0.803 10 10 CCCE CN1CCc2cc([C@H](NN)[C@@H]3CCS(=O)(=O)C3)ccc21 2163135132 HDRCCYBVEYNTBX-OCCSQVGLSA-N 295.408 0.618 10 10 CCCE Cc1nnc(CN(C)c2ccc3c(c2)NC(=O)[C@H]3N)o1 2171833730 VEELQQNSBBEDPF-LBPRGKRZSA-N 273.296 0.966 10 10 CCCE C[C@@H]1CN(c2cc3c(cc2N)OCC(=O)N3)C[C@@H]1O 387749767 AAUHTVXNNBPVOA-HQJQHLMTSA-N 263.297 0.417 10 10 CCCE Nc1ccc(OC[C@H](O)CN2C[C@H]3C[C@H]2C[C@H]3O)cc1 2172089120 DDSXCNMTIUKLCP-CQROYNQRSA-N 278.352 0.464 10 10 CCCE CCNCCS(=O)(=O)NCc1ccccc1O 722215018 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CC1(C)CN(C(=O)c2cccc(O)c2O)[C@H](CN)CO1 2194647416 ASNDBIZWLQPHBR-SECBINFHSA-N 280.324 0.676 10 10 CCCE CCOC(=O)c1cccc(N)c1N[C@@H]1COC[C@@H]1O 2108739903 QJBYKOLAOQJURZ-MNOVXSKESA-N 266.297 0.617 10 10 CCCE NC[C@@H]1COCCN1C(=O)Nc1ccc(N)cc1 2071565037 HFKWFZYWRSJWDU-LLVKDONJSA-N 250.302 0.460 10 10 CCCE Oc1cccc(CNC[C@@H]2CO[C@H]3COC[C@@H]23)c1O 2101838649 FFVRKSIVUAVAON-MDZLAQPJSA-N 265.309 0.849 10 10 CCCE CN(C(=O)c1ccc(O)c(O)c1)[C@@H]1CN2CC[C@H]1C2 2102512987 RQWVYXKKGNXWNC-WDEREUQCSA-N 262.309 0.874 10 10 CCCE Nc1ccc(O[C@H]2CC(CO)(CO)C[C@@H]2O)cc1 2085484661 IHTOACCXQZKBEX-RYUDHWBXSA-N 253.298 0.142 10 10 CCCE CO[C@H]1C2(CCC2)C[C@]1(NCCN=[N+]=[N-])C(N)=O 2085707665 ACDTVPYRWDXBED-GZMMTYOYSA-N 253.306 0.699 10 10 CCCE NCCN1CCN(c2ccc3c(c2)COCC3)CC1 2106358070 NMSVHKILGXIQEA-UHFFFAOYSA-N 261.369 0.840 10 10 CCCE Oc1ccc(CNC[C@H](O)c2cnc[nH]2)c(O)c1O 2088645500 AKAFACHIMGWDPN-JTQLQIEISA-N 265.269 0.350 10 10 CCCE NC(=O)CO[C@H]1CCN(c2ccc(CO)cc2F)C1 2089139538 MFDPHMQUGPZLFQ-JTQLQIEISA-N 268.288 0.399 10 10 CCCE O=C(O)[C@H]1Cc2nnc(-c3cccc(O)c3O)n2C1 2111460029 VEDQLWOGFNEXKO-LURJTMIESA-N 261.237 0.613 10 10 CCCE NCc1cc(F)c(N2CC(=O)N[C@H]3CC[C@@H]32)c(F)c1 2112065141 HTFFFSCJUFZFHS-QWRGUYRKSA-N 267.279 0.891 10 10 CCCE COc1cc(N2CCN(C[C@@H](C)O)CC2)ccc1CO 2204543823 SPOFBQPQRJORSN-GFCCVEGCSA-N 280.368 0.690 10 10 CCCE NC(=O)C1(NCc2cc3c(cc2O)OCO3)CCC1 2231909039 HLSINUPGAADVHQ-UHFFFAOYSA-N 264.281 0.619 10 10 CCCE CS(=O)(=O)N1CC(CN[C@H]2CCc3cccc(O)c32)C1 2233053339 WFVHDZFEQYSMFS-LBPRGKRZSA-N 296.392 0.861 10 10 CCCE C[C@H](N)c1ccc(N2CC[C@@](O)(CO)[C@H](O)C2)cc1 2225727113 NBOIKVSAIYJEOA-ZLKJLUDKSA-N 266.341 0.001 10 10 CCCE CNCc1cc(OC)ccc1N1C[C@H](O)[C@H](N(C)C)C1 2235971631 DIFXMGWNEODUAY-CABCVRRESA-N 279.384 0.526 10 10 CCCE COc1ccc(N2CCC[C@H]3C(=O)NC[C@@H]32)c(CO)c1 2236000463 VIWTUHXLNYQLNC-OCCSQVGLSA-N 276.336 0.902 10 10 CCCE CNCc1ccc(N2C[C@H]3COC[C@@]3(CO)C2)cc1 2226155203 WSEHEFLAVUFTDU-ZFWWWQNUSA-N 262.353 0.851 10 10 CCCE Cc1cc(N2C[C@@H]3C(=O)NC(=O)[C@H]3C2)ccc1[C@@H](C)O 2285150122 SKEMMERNLGVOOJ-ICCXJUOJSA-N 274.320 0.757 10 10 CCCE Nc1ccc(CC(=O)NC[C@H]2CC[C@@H](CO)CO2)cc1 2279365002 XXENQLFKSORLTI-GXTWGEPZSA-N 278.352 0.715 10 10 CCCE CN(C)c1ccc([C@H](O)[C@@H]2CO[C@@H]3CNC[C@@H]3O2)cc1 2279876990 HMBWUFNKQHJUDY-QPSCCSFWSA-N 278.352 0.542 10 10 CCCE CS(=O)(=O)[C@H]1C[C@H](C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)C1 2269869120 JSYMAOLLCOMPOC-GUBZILKMSA-N 286.357 0.968 10 10 CCCE Nc1ccc(NC(=O)N2C[C@@H]3OCC[C@@]3(CO)C2)cc1 2296429096 VAKXCMZDLFWSBJ-JSGCOSHPSA-N 277.324 0.884 10 10 CCCE Cc1sc(NN(C)S(=O)(=O)C2CC2)nc1C(=O)O 2317452057 XINGGBWCYNSOBJ-UHFFFAOYSA-N 291.354 0.901 10 10 CCCE Nc1ccc(OCCN2C[C@@H]3C[C@H]2[C@@H](O)[C@H]3O)cc1 2329326801 SIIKZYXLVFDHOT-NZPIUUIZSA-N 264.325 0.074 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3C[C@@H]4C[C@@H](O)[C@H]3C4)ccc21 2330781699 JLADARDJPWPRJO-LFVLHPMWSA-N 259.309 0.598 10 10 CCCE CN[C@H](C)c1ccc(N2C[C@@H](O)[C@@H]3COC[C@@H]32)cc1O 2354367105 BBTPVLBFBSVADF-BXKLLYQPSA-N 278.352 0.869 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1C[C@H]2C[C@H]1[C@H](O)[C@H](O)C2 2355337374 CJLVJIPNSXORJM-OBRLSWLKSA-N 279.292 0.054 10 10 CCCE N[C@H]1CCCc2cc(N3C[C@@H]4C[C@H]3[C@H](O)[C@H]4O)ccc21 2356171004 CGMQTVNDKCUFJK-QZXGQWDYSA-N 274.364 0.953 10 10 CCCE CO[C@H]1C[C@H](CO)N(c2ccc(CN)cc2F)C1 311121006 OQLIQFNHLSIUMQ-MNOVXSKESA-N 254.305 0.870 10 10 CCCE C[C@@H]1C(=O)NC(=O)CN1c1ccc(/C=C\C(=O)O)cc1F 217741250 KKUAEKAQFNHTHE-QIUOEGRZSA-N 292.266 0.775 10 10 CCCE Cc1cc(/C=C\C(=O)O)ccc1N1CC(=O)NC(=O)[C@@H]1C 217901845 VIOPBURFANMYHR-OAQKJQOQSA-N 288.303 0.944 10 10 CCCE CNCc1cc(F)c(N2C[C@@H](O)[C@@H](CO)C2)c(F)c1 316626095 YLFULKISGYAOCP-BXKDBHETSA-N 272.295 0.474 10 10 CCCE COCCN1CCN(C(=O)c2cccc(O)c2O)C[C@@H]1C 193075525 PQEPVGDJZZBKNT-NSHDSACASA-N 294.351 0.891 10 10 CCCE O=S1(=O)C[C@H](O)[C@H](Sc2nccs2)C1 40677096 PBMLWCFATKKFNO-NTSWFWBYSA-N 251.354 0.393 10 10 CCCE CC(C)[C@@H](CO)NC(=O)c1cc(O)c(O)c(O)c1 1865875602 BDNKTMODMAADRN-MRVPVSSYSA-N 255.270 0.550 10 10 CCCE C[C@@H](SC[C@H](O)CO)C(=O)Nc1ccc(N)cc1 93957385 WGHURDCTDPHKGA-LDYMZIIASA-N 270.354 0.682 10 10 CCCE Nc1cc2c(cc1N1CCN3CCC[C@H]3C1)NC(=O)CO2 250756531 RCTHKTYTKLNGCP-JTQLQIEISA-N 288.351 0.884 10 10 CCCE O=C(O)[C@H](O)c1c(Br)ccc(O)c1O 258546451 VWBZKKYNCMAYEH-SSDOTTSWSA-N 263.043 0.978 10 10 CCCE CC(=O)C(=O)COC(=O)Cc1ccc2c(c1)NC(=O)C2 808535834 BDWWLCUJGSDPSC-UHFFFAOYSA-N 275.260 0.425 10 10 CCCE O=C(NCc1ccccc1O)[C@@]12CNC[C@@H]1CCO2 705024593 HVMKEANHALKDBS-SMDDNHRTSA-N 262.309 0.387 10 10 CCCE Nc1ccc(CCNC(=O)[C@@H]2OCC[C@H]2C(=O)O)cc1 2162275858 MOZBJTZKKDSXKR-VXGBXAGGSA-N 278.308 0.417 10 10 CCCE CN(Cc1ccc(N)cc1)S(=O)(=O)[C@@H](C(=O)O)C1CC1 2167059118 FYUZOJQPLHINPF-GFCCVEGCSA-N 298.364 0.894 10 10 CCCE CN1CCCc2cc([C@@H](NN)[C@H]3CCS3(=O)=O)ccc21 2163161556 XSIJDMAZFZCOPT-ZIAGYGMSSA-N 295.408 0.761 10 10 CCCE O=S(=O)(NCc1c(O)cccc1F)[C@H]1CCOC1 921452156 FYCVYPHDTMAOIZ-QMMMGPOBSA-N 275.301 0.740 10 10 CCCE C[C@H]1CC[C@@H](NC(=O)c2cccc(O)c2O)CS1(=O)=O 855704579 WYXPSQVMRFCHJB-DTWKUNHWSA-N 299.348 0.793 10 10 CCCE O=C1NCCC[C@@H]1CNCc1cc2c(cc1O)OCO2 839195069 FPTJGKVINZEGJX-SECBINFHSA-N 278.308 0.737 10 10 CCCE COCC(O)(CNCc1cc(F)ccc1O)COC 1875695804 XDAIWJUUFKZRPN-UHFFFAOYSA-N 273.304 0.645 10 10 CCCE Nc1ccc(CCC(=O)NC[C@@H]2COCCN2)cc1 1876519670 POAPXCLRQIRBDG-CYBMUJFWSA-N 263.341 0.306 10 10 CCCE C[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@@H]1O 1566466576 CRCONFZGSUBPJV-UFBFGSQYSA-N 251.282 0.480 10 10 CCCE COC1CN(S(=O)(=O)Nc2ccc(O)c(C)c2)C1 1963455661 QELBBARYBVGBJX-UHFFFAOYSA-N 272.326 0.688 10 10 CCCE CNCCCNC(=O)[C@@H](N)c1cccc(C)c1O 83385196 BCOYDLKLRCEPGJ-NSHDSACASA-N 251.330 0.426 10 10 CCCE CN(C)CCCNC(=O)[C@@H](N)c1ccc(O)cc1O 83495154 ALSWVFFDJCJIJA-LBPRGKRZSA-N 267.329 0.166 10 10 CCCE N[C@H](c1nnc(C2CC(=O)C2)o1)c1cccc(O)c1O 83542774 OSVUBUXDZNLGQZ-JTQLQIEISA-N 275.264 0.975 10 10 CCCE C[C@]1(CO)CN(c2ccc(CN)cc2)C[C@]1(C)CO 704607080 KLHUFUYLSFCOMT-HUUCEWRRSA-N 264.369 0.963 10 10 CCCE COC(=O)CN(C)[C@H](C)C(=O)Nc1ccc(N)cc1 692345005 RJDYAPJWUJCORT-SECBINFHSA-N 265.313 0.701 10 10 CCCE NC(=O)c1cnn(C[C@@H](O)COc2ccc(N)cc2)c1 70329564 IPWMYJILFWQFGY-LLVKDONJSA-N 276.296 0.004 10 10 CCCE CN[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)[C@@H]1C 2115359162 NXHDKPYWJYPLGK-MWLCHTKSSA-N 264.325 0.849 10 10 CCCE COCCOCC(=O)NCc1cccc(O)c1O 1520509141 REAGVWWHIONNOB-UHFFFAOYSA-N 255.270 0.377 10 10 CCCE OCC[C@H]1CNCCN1c1ccc2c(c1)OCCO2 217091219 AVYXEUIYEPXHAW-LBPRGKRZSA-N 264.325 0.618 10 10 CCCE COc1ccc(CNC[C@@H](C)NC(=O)CC(N)=O)cc1C 1483116781 UDVGHIXNVUKZMQ-LLVKDONJSA-N 293.367 0.473 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NCCc1nnc(S)o1 1556283970 MKMCKCYILDFUFX-UHFFFAOYSA-N 295.320 0.671 10 10 CCCE Nc1cc(NS(=O)(=O)N2CCCC2)ccc1O 2214995698 NWMJBTFUZAJELW-UHFFFAOYSA-N 257.315 0.727 10 10 CCCE CC[C@H](NC)c1ccc(N2CC(O)(C(N)=O)C2)cc1 1915249124 RMVVICPLBASPOQ-LBPRGKRZSA-N 263.341 0.394 10 10 CCCE COc1cc(N2CCNC(=O)C2(C)C)ccc1CN 2139685106 OYZKTSCJHKEWHR-UHFFFAOYSA-N 263.341 0.869 10 10 CCCE O=C([C@@H]1CNc2ccccc2N1)N1CC[C@@](F)(CO)C1 1917143352 ONFODXYAXJIPKB-JSGCOSHPSA-N 279.315 0.826 10 10 CCCE NC(=O)C1[C@H]2CN(CCCc3ccc(N)cc3)C[C@H]12 2136631950 VXKBZTXTICPSOL-STQMWFEESA-N 259.353 0.865 10 10 CCCE NCc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3C(N)=O)c(F)c1F 2136613429 KMGFSXSYYISXLT-MBTKJCJQSA-N 267.279 0.591 10 10 CCCE Nc1ccc(CCNS(=O)(=O)N2C[C@H]3CC[C@H]3C2)cc1 1967915520 WJKMZNUONLRMGX-BETUJISGSA-N 295.408 0.988 10 10 CCCE Nc1ccc(NC(=O)N2C[C@H](O)[C@H](O)[C@H]2CF)cc1 2140653810 ILVUWOIOHYEUID-OUAUKWLOSA-N 269.276 0.176 10 10 CCCE COC(=O)Cn1nnnc1Sc1ncc(C)s1 1945289042 JRXWYNKVJDJGSX-UHFFFAOYSA-N 271.327 0.762 10 10 CCCE CN(C)c1ccc([C@@H]2CNCC(=O)N2C)cc1F 1952097894 XSIIALIKMOKCSL-LBPRGKRZSA-N 251.305 0.994 10 10 CCCE CN(C(=O)CSc1nnnn1C)c1ccc(N)cc1 37285523 NZMZYCUOGHFNRT-UHFFFAOYSA-N 278.341 0.547 10 10 CCCE N[C@@H]1CCCC12CN(C(=O)Cc1ccc(O)c(O)c1)C2 2154510390 RHSWPVYDCQTEHX-CYBMUJFWSA-N 276.336 0.980 10 10 CCCE CN(Cc1ncno1)C[C@@H](O)COc1ccc(N)cc1 2160394614 ODYMJPWGKIJJQS-LLVKDONJSA-N 278.312 0.524 10 10 CCCE CCN1CCO[C@@H]([C@@H](NN)c2ccccc2O)C1 2029542284 CYGLMRLLPYVYBI-OLZOCXBDSA-N 251.330 0.617 10 10 CCCE CCCNCC(=O)NCCc1ccc(O)c(O)c1 2031071934 WXMGAVWGDOYCHJ-UHFFFAOYSA-N 252.314 0.756 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1C[C@H]2C[C@H]1C[C@H]2O 2160697536 WMXQCPJVKBKICN-SRRSOLGSSA-N 277.320 0.916 10 10 CCCE Nc1ccc(OCCS(=O)(=O)N2CC[C@H](O)C2)cc1 70490860 XQEQMELPLJPBFZ-NSHDSACASA-N 286.353 0.044 10 10 CCCE C[C@H](C(=O)N1CCC[C@H](N=[N+]=[N-])C1)S(C)(=O)=O 403699239 IHQGMKADDRLBGX-SFYZADRCSA-N 260.319 0.721 10 10 CCCE COc1ccc(N2CC[C@H]3C(=O)NC(=O)[C@@H]3C2)c(N)c1 2158789039 HISGEBRPQZYMHM-NXEZZACHSA-N 275.308 0.376 10 10 CCCE CCNCc1ccc(N2CC[C@](O)(CO)C2)c(F)c1 313853033 KUWAJHPDKAFEFA-CQSZACIVSA-N 268.332 0.869 10 10 CCCE Nc1ccc(OCCN2CC3(C2)OCCC[C@H]3O)cc1 2159650818 PBLMZTCRLASRES-CQSZACIVSA-N 278.352 0.873 10 10 CCCE COc1ccc(N2CCC(N)(C(N)=O)CC2)cc1OC 2162630473 IYHDPZZWBUVDIE-UHFFFAOYSA-N 279.340 0.487 10 10 CCCE C[C@@H]1C[C@@H](O)CCN1S(=O)(=O)Cc1ccc(N)cc1 705540628 YTMYENFWZBYTNJ-MFKMUULPSA-N 284.381 0.944 10 10 CCCE Nc1ccc(OC[C@@H](O)CN2CCC[C@@H](O)CC2)cc1 378693016 CNGLWXUKEPASDC-KGLIPLIRSA-N 280.368 0.855 10 10 CCCE COC[C@](C)(CO)N(C)c1ccc2c(c1)NC(=O)[C@H]2O 689232689 MAGIZBDDBPIGGS-JSGCOSHPSA-N 280.324 0.506 10 10 CCCE CCN1C[C@H](NCc2ccc(O)c(O)c2)CC1=O 391515621 ISOLEDRRKMSIJV-SNVBAGLBSA-N 250.298 0.808 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N(C)CCOCCO)ccc21 380310863 WINGOSVSYMWYEG-ZDUSSCGKSA-N 279.340 0.344 10 10 CCCE Cn1cc([C@](C)(NCCCN=[N+]=[N-])C(=O)O)nn1 715069029 RNLDBCNDZHJRHQ-VIFPVBQESA-N 253.266 0.405 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC2CC1(CO)C2 694596093 KJMWFXOQMRZAJO-UHFFFAOYSA-N 250.254 0.090 10 10 CCCE O=c1nc(CCNCc2ccc(O)cc2O)[nH]o1 392241058 XMWWWNDTXMJAMZ-UHFFFAOYSA-N 251.242 0.106 10 10 CCCE CN(Cc1ccccc1O)C(=O)c1c[nH]c(=O)cn1 383774606 VMQXZEIXSYJJJK-UHFFFAOYSA-N 259.265 0.748 10 10 CCCE C[C@@H]1[C@H](O)CCCN1C[C@H](O)COc1ccc(N)cc1 384863330 NIHDLKBJPCNLTR-OSAQELSMSA-N 280.368 0.854 10 10 CCCE O=C1Nc2cc(N3CCS[C@@H](CCO)C3)ccc2[C@@H]1O 720003394 COYLPXRZOQOQEB-GWCFXTLKSA-N 294.376 0.976 10 10 CCCE CN(C)C(=O)C[S@](=O)CC(=O)Nc1ccc(N)cc1 388821691 SXXJHGLCGBYXPM-LJQANCHMSA-N 283.353 0.044 10 10 CCCE CCNCc1ccc(OC)c(C[S@](=O)CC(N)=O)c1 388944975 WMLWGEQNALNWAS-IBGZPJMESA-N 284.381 0.539 10 10 CCCE C[C@H]1[C@H](NC(=O)c2cccc(O)c2O)CCS1(=O)=O 389312747 RFWUOOBZIRTECO-IONNQARKSA-N 285.321 0.403 10 10 CCCE CS(=O)(=O)C1(CNC(=O)CCc2ccc(N)cc2)CC1 393667118 MMOWKUMDRCOGSR-UHFFFAOYSA-N 296.392 0.895 10 10 CCCE NC[C@H]1C[C@H](F)CN1C(=O)Cc1ccc(N)cc1 2071682927 PGCHUKKGZHWIAJ-CMPLNLGQSA-N 251.305 0.709 10 10 CCCE CC[C@H](NC(=O)c1cnn2c(O)cc(C)nc12)[C@@H](C)O 2063158558 DZLBETSZMGJFGU-SCZZXKLOSA-N 278.312 0.633 10 10 CCCE CC1(C)CNC(=O)CN1c1ccc2c(c1)NC(=O)[C@H]2N 2175724817 JMRGUURKRFNVQK-LBPRGKRZSA-N 274.324 0.353 10 10 CCCE COc1ccc(N2CCn3c(CO)nnc3C2)c(N)c1 2171794095 GOSBJOCARPDKSU-UHFFFAOYSA-N 275.312 0.381 10 10 CCCE NCCO[C@H]1CCN(C(=O)CCc2ccc(N)cc2)C1 2191663937 OQBXOWBNLKWNPY-AWEZNQCLSA-N 277.368 0.778 10 10 CCCE C[C@@H]1C[C@H](CNC(=O)c2ccc(O)c(O)c2)CN1 2042393179 HIWUSAPLPSYTIQ-BDAKNGLRSA-N 250.298 0.826 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@H]3CC[C@H]2[C@H](N)C3)cc1 2191773273 BNMFKHABTCETKF-YUTCNCBUSA-N 295.408 0.910 10 10 CCCE C[C@H](N[C@@H]1C[C@@H](O)C[C@H]1O)c1cc(O)ccc1O 2046491612 ZRYHDALHHFLXGE-KDCCTQTISA-N 253.298 0.633 10 10 CCCE NCc1cc(F)c(N2C[C@H]3C[C@H]2CN3C(N)=O)c(F)c1 2192283331 SVQIJSYYXWEHIF-DTWKUNHWSA-N 282.294 0.765 10 10 CCCE Cc1ccc(O)c(CN2CC[C@@](O)(C(=O)O)[C@@H](O)C2)c1 2197471596 CAGDQOQMILUPBH-JSGCOSHPSA-N 281.308 0.083 10 10 CCCE NC(=O)[C@@H]1CCCN(C(=O)c2cc(O)c(O)c(O)c2)C1 2188867863 IIWLAXXIWHQYQY-SSDOTTSWSA-N 280.280 0.141 10 10 CCCE OCc1nnc(CNCc2ccc(O)c(O)c2)s1 2072473264 KTKFLJQWOYLEPM-UHFFFAOYSA-N 267.310 0.731 10 10 CCCE O=C(O)C1(O)CCN(Cc2ccccc2O)CC1 2076808568 RWTMGDVSJFRSFI-UHFFFAOYSA-N 251.282 0.804 10 10 CCCE CN(C(=O)c1cccc(O)c1O)[C@@H]1CN2CC[C@H]1C2 2102512537 OCBZMJCLWLUFOU-GXSJLCMTSA-N 262.309 0.874 10 10 CCCE COc1cc(N2CCOC[C@@H](O)C2)ccc1CN 2084016744 LSSCESRXKDQASB-LBPRGKRZSA-N 252.314 0.351 10 10 CCCE C[C@@H](O)c1ccc(N2C[C@H]3C[C@H]2[C@@H](O)[C@@H]3O)c(F)c1 2104411031 JZQWLPFGRLUBRV-OYMDGAASSA-N 267.300 0.809 10 10 CCCE CN(C)c1ccc([C@H](N)[C@@H](O)c2nnn(C)n2)cc1 2106856885 FQOKNYWOVNTXCP-WDEREUQCSA-N 262.317 0.010 10 10 CCCE CON(C(=O)COc1ccc(N)cc1)[C@H]1CCOC1 2108467369 GJCBGUVQYOFDAG-NSHDSACASA-N 266.297 0.827 10 10 CCCE CCOC(=O)c1cccc(N)c1N[C@H](C)[C@@H](O)CO 2108746004 WQYSMNKURAXZGW-KCJUWKMLSA-N 268.313 0.599 10 10 CCCE O=S1(=O)CC[C@@H]2CN(c3ccc(CO)cc3F)C[C@H]21 2088785494 YPKYOTVWQIQVIB-ZWNOBZJWSA-N 285.340 0.941 10 10 CCCE COc1ccc(O)c(CN2C[C@@H](OC)C[C@@H]2CN)c1 2090739855 UIBQHSXPCCCLHC-YPMHNXCESA-N 266.341 0.949 10 10 CCCE Nc1ccc(OCC(=O)N[C@@H]2[C@H]3CCOC[C@H]32)cc1 2093705508 HOCNECXTCKMPBI-OUCADQQQSA-N 262.309 0.799 10 10 CCCE C[C@@](NC(=O)c1ccc(O)c(O)c1)(C(=O)O)C(F)F 2096494080 BNQMAJWQKAHSMH-NSHDSACASA-N 275.207 0.936 10 10 CCCE COC1(CF)CN(c2ccc3c(c2)NC(=O)[C@H]3O)C1 2112412981 LMZDQOLMTVJYOO-NSHDSACASA-N 266.272 0.847 10 10 CCCE COc1cc(N2CC[C@@]3(CNC(=O)C3)C2)ccc1CO 2204555457 TUQZPFMGWRUZLC-OAHLLOKOSA-N 276.336 0.904 10 10 CCCE COc1cc(N2CCN(C)C[C@H]2CCO)ccc1CN 2204540836 DFECVFXQGVXRSZ-CQSZACIVSA-N 279.384 0.657 10 10 CCCE COc1cc(N2CC[C@@]3(CNC(=O)C3)C2)ccc1CN 2204540761 CPJVJELHHGOOPU-OAHLLOKOSA-N 275.352 0.870 10 10 CCCE N[C@H]1CCCc2cc(N3C[C@H](O)[C@@H](O)[C@@H]3CF)ccc21 2205607331 FHFLPVXAYFUILW-AJNGGQMLSA-N 280.343 0.903 10 10 CCCE COc1ccc(N2CC(OCCO)C2)c(OC)c1 2219652113 UPZMFISQCJXCSU-UHFFFAOYSA-N 253.298 0.901 10 10 CCCE CO[C@@H]1CN(c2ccc([C@H](C)N)cc2)[C@H](CO)[C@H]1OC 2233353943 NNLNFZILBRWRPU-CJYSPXJISA-N 280.368 0.917 10 10 CCCE C[C@@H](O)c1ccc(N2CC[C@@](O)(CO)[C@@H](O)C2)cc1 2225726896 MBEFPSMGKJPWIM-DDTOSNHZSA-N 267.325 0.034 10 10 CCCE CC(C)(C)[C@H]1CNC[C@H](COc2nnc(=N)[nH]n2)C1 2226133361 JFQUYIXWHYTMTO-RKDXNWHRSA-N 266.349 0.330 10 10 CCCE CCCOc1ccc(N2CC[C@@](O)(C(N)=O)C2)cc1 2226757151 KYAMTRMWPCTPHB-AWEZNQCLSA-N 264.325 0.902 10 10 CCCE Cc1cc(N2CCN3C(=O)COC[C@H]3C2)ccc1CO 2236931441 LRAZRCQRTICQMY-CQSZACIVSA-N 276.336 0.535 10 10 CCCE NCc1ccc(N2C[C@@H](CO)C[C@@H](CO)C2)cc1F 2228403251 FTJILIIMCIHIEX-PHIMTYICSA-N 268.332 0.712 10 10 CCCE CSc1ncc(CNC(=O)[C@]23CNC[C@@H]2CCO3)s1 2269194271 APFMBSIVVBPRKD-UFBFGSQYSA-N 299.421 0.860 10 10 CCCE F[C@H]1COC[C@@H]1NCc1ccc(N2CCNCC2)cc1 2286066333 RNLXVHHZSSTCFH-GJZGRUSLSA-N 279.359 0.923 10 10 CCCE N[C@@H]1CC[C@@H]1S(=O)(=O)Nc1ccc(O)c(F)c1 2300757008 IVPVBORGPWRCAL-SCZZXKLOSA-N 260.290 0.763 10 10 CCCE N[C@@H]1C[C@H]2C[C@H](C(=O)C(=O)C[C@H]3C[C@H](N)C3)C[C@@H]12 2311795000 ZYHKPLUJXDWOGY-KCUSNBPKSA-N 250.342 0.625 10 10 CCCE COc1ccc(N2CC([C@@H](O)CO)C2)c(OC)c1 2315277874 HCPNAXWSVLEIBW-LBPRGKRZSA-N 253.298 0.493 10 10 CCCE CN1CC[C@H](N2CCc3cc(O)c(O)cc3C2)C1=O 2341213410 DUKNQQSKDJMDQT-NSHDSACASA-N 262.309 0.687 10 10 CCCE COC(=O)CN(C)S(=O)(=O)Cc1ccc(N)cc1 21019823 MFDWBRZCLXOPQJ-UHFFFAOYSA-N 272.326 0.203 10 10 CCCE Nc1ccc(OCC(=O)N[C@@H]2C[C@H]3CNC[C@@H]2C3)cc1 2357175660 MEBZAWCSNWEDBY-COPLHBTASA-N 275.352 0.762 10 10 CCCE Nc1ccc(OC[C@H](O)CN2CCOCC2)cc1 36669818 XHTGJKSTGIGBKY-GFCCVEGCSA-N 252.314 0.341 10 10 CCCE NC(=O)C1CCN(C[C@@H](O)COc2ccc(N)cc2)CC1 36985218 RKCGKVMUPHIDBY-CYBMUJFWSA-N 293.367 0.206 10 10 CCCE C[C@@H]1C[C@H](O)CCN1C(=O)c1cc(O)c(O)c(O)c1 1148583879 FKFZAFLHSYYMSU-VXNVDRBHSA-N 267.281 0.789 10 10 CCCE CCN(CC(=O)N(C)C)CC(=O)N(C)c1ccc(N)cc1 36198188 FHMGUGYFRMIZCV-UHFFFAOYSA-N 292.383 0.642 10 10 CCCE COC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 40463598 CHDHZLFEJQHTCX-VIFPVBQESA-N 296.323 0.035 10 10 CCCE COCCCS(=O)(=O)Nc1ccc(O)cc1N 234603215 VCZFBYGTDLGACM-UHFFFAOYSA-N 260.315 0.753 10 10 CCCE C[C@H]1CN(C)C[C@H]1NS(=O)(=O)Cc1ccc(N)cc1 722246357 UJYTZMRBFXHJNV-GXFFZTMASA-N 283.397 0.638 10 10 CCCE CN[C@@H](c1ccc2c(c1)CCN2C)C1(O)CS(=O)(=O)C1 2163133537 NPDQJWMHOWMCCX-ZDUSSCGKSA-N 296.392 0.099 10 10 CCCE CN(C)c1ccc([C@@H](N)[C@](C)(O)c2cn(C)nn2)cc1 2163135381 JDYLDRKRMJUANS-ZIAGYGMSSA-N 275.356 0.789 10 10 CCCE CNCc1ccc(N2CCN(CC(N)=O)CC2)cc1 700816809 MNVLEISCDDYDAH-UHFFFAOYSA-N 262.357 0.013 10 10 CCCE Oc1c(Cl)cccc1CNCCc1nn[nH]n1 393859891 FNKLLCDBNSNIHI-UHFFFAOYSA-N 253.693 0.891 10 10 CCCE CCN(CCCO)CC(=O)c1ccc(O)c(O)c1 165248163 MACJGQMQTBEJFI-UHFFFAOYSA-N 253.298 0.985 10 10 CCCE O=C(CN1CCCNC1=O)NCc1c(O)cccc1F 928712647 VHIYTZWHGKTODA-UHFFFAOYSA-N 281.287 0.563 10 10 CCCE C[C@H](NCCc1nnnn1C)c1cc([N+](=O)[O-])ccc1O 756674931 DNPIPAWSBBWPGJ-QMMMGPOBSA-N 292.299 0.717 10 10 CCCE CN1CCOC[C@@H]1CNC(=O)NCc1ccccc1O 858841298 RHCAFZZHOMYPIZ-LBPRGKRZSA-N 279.340 0.522 10 10 CCCE COc1ccc(N2CC[C@H](NC(=O)CN(C)C)C2)cc1 855229625 KSRUFKQPCOSGIG-LBPRGKRZSA-N 277.368 0.952 10 10 CCCE Nc1ccc(CCC(=O)N2C[C@@H](O)C[C@H]2CO)cc1 698168718 OQKBYCVCSQMWOI-STQMWFEESA-N 264.325 0.156 10 10 CCCE Nc1ccc(NC(=O)NCCO[C@H]2CCNC2)cc1 1876150651 VREIKJIEDSIMRP-LBPRGKRZSA-N 264.329 0.769 10 10 CCCE NC[C@H]1COCC[C@@H]1NC(=O)c1ccc(O)c(O)c1 1878790609 FEMAIZPNACSYKP-UWVGGRQHSA-N 266.297 0.191 10 10 CCCE CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC(N=[N+]=[N-])C1 1882297901 KEFAEIDKWLRNOQ-QMMMGPOBSA-N 285.304 0.393 10 10 CCCE OC[C@H](C[C@H]1CCOC1)NCc1cccc(O)c1O 1883201676 KFSWMLCCRBWLTM-PWSUYJOCSA-N 267.325 0.975 10 10 CCCE CNC(=O)NCCCNCc1cccc(OC)c1O 1964612274 UGVFGANHZCNXBG-UHFFFAOYSA-N 267.329 0.810 10 10 CCCE CS(=O)(=O)N1CC(CNCc2c(O)cccc2F)C1 1964591367 FRTDGGTZRIBBNZ-UHFFFAOYSA-N 288.344 0.512 10 10 CCCE O=S(=O)(O)CCCNCc1cccc(F)c1O 83458619 CZXYJWZIQRVLQI-UHFFFAOYSA-N 263.290 0.899 10 10 CCCE CC(=O)NCc1nnc([C@H](N)c2cc(O)ccc2O)o1 83585077 RAZPJWQUYJEUQQ-LLVKDONJSA-N 278.268 0.165 10 10 CCCE Cn1cc(C(=O)NCc2cccc(O)c2O)ccc1=O 1176564992 HIFOLLATYSHIND-UHFFFAOYSA-N 274.276 0.727 10 10 CCCE C[C@@H](O)c1ccc(N2CC[C@@H](NS(C)(=O)=O)C2)cc1 702985153 QDLFGINAAAPGJH-ZYHUDNBSSA-N 284.381 0.868 10 10 CCCE O=C1C[C@@H](CNCc2ccc(F)c(F)c2O)CN1 703295144 KWIVULQRGIUSMO-ZETCQYMHSA-N 256.252 0.896 10 10 CCCE O=C1CCN(C(=O)c2cccc(O)c2O)CCCN1 1965043968 RJHLQFLVTBFDQV-UHFFFAOYSA-N 264.281 0.450 10 10 CCCE C[C@H]1CN(C(=O)c2ccc(O)c(O)c2)C[C@@H]1CO 708615742 ALBOHGJYJMTPRJ-WCBMZHEXSA-N 251.282 0.798 10 10 CCCE Nc1ccc(CS(=O)(=O)NC[C@H]2CCN2C2CC2)cc1 691856564 RBGJWGVRJKHBDH-CQSZACIVSA-N 295.408 0.925 10 10 CCCE CN(C[C@H]1CCCS1(=O)=O)C(=O)c1cccc(O)c1O 694492081 BHYDTJNZDWNBGB-SECBINFHSA-N 299.348 0.747 10 10 CCCE CNCc1ccc(N2CCC(CO)(CO)C2)cc1C 694669597 CPXMAPXEBULOBE-UHFFFAOYSA-N 264.369 0.896 10 10 CCCE O=C(CN1CCOC1=O)NCc1cccc(O)c1O 1347542099 IMUQRSUDKYTIQE-UHFFFAOYSA-N 266.253 0.166 10 10 CCCE COC(=O)c1nc(=NCc2ccc(N)cc2)[nH]n1C 2116567744 WFXULKSJAOWAMK-UHFFFAOYSA-N 261.285 0.218 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1C[C@@H]2[C@@H](CO)C[C@H]2C1 2117687758 CIBZLJLNLYVRFA-AXFHLTTASA-N 263.293 0.798 10 10 CCCE COc1ccc(CNCCc2nnnn2C)c(O)c1 2119294535 BZZPJFYMDRZBDT-UHFFFAOYSA-N 263.301 0.257 10 10 CCCE [N-]=[N+]=N[C@H]1CCN(S(=O)(=O)N2CCC[C@H](O)C2)C1 1912180242 XTNFPTOVCBFWCQ-IUCAKERBSA-N 275.334 0.073 10 10 CCCE C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1)[C@@H]1CCOC1 166201417 AESLOTYWDORCJK-WCQGTBRESA-N 294.351 0.509 10 10 CCCE Oc1c(F)cc(F)cc1CN1CCN[C@H]2COC[C@H]21 2132578790 HROQLMQDNGKKRH-NWDGAFQWSA-N 270.279 0.843 10 10 CCCE C[C@@H]1CNC[C@H]1CNC(=O)c1cc(O)c(O)c(O)c1 2132409638 HGKCZBFXEADAJB-APPZFPTMSA-N 266.297 0.389 10 10 CCCE O=C(O)[C@H]1C=CCN1C(=O)c1cc(O)c(O)c(O)c1 2132348514 NGUTZXFMBXOGNE-SSDOTTSWSA-N 265.221 0.269 10 10 CCCE Cc1cc(NS(=O)(=O)N2CC(O)C2)ccc1O 1914116792 HFVKQPNPFZZHSE-UHFFFAOYSA-N 258.299 0.034 10 10 CCCE C[C@@]1(C(=O)NCc2cc(N)ccc2O)COCCO1 1908172361 UHPBANUGTOMSBD-ZDUSSCGKSA-N 266.297 0.396 10 10 CCCE O=C(O)[C@@]1(CO)CCN(Cc2cc(F)ccc2O)C1 2136390647 MCCQKAQTOGUFLA-ZDUSSCGKSA-N 269.272 0.800 10 10 CCCE COC[C@H](N)CCNC(=O)c1ccc(O)c(O)c1 230117555 PKLLMYAJWYMZQJ-SECBINFHSA-N 254.286 0.191 10 10 CCCE C[C@H]1CN[C@H](C(=O)NCCc2ccc(O)c(O)c2)CO1 1968739810 WZSRGCDWQPBNDG-ONGXEEELSA-N 280.324 0.133 10 10 CCCE COc1cc(N2CC(=O)N[C@H]3CC[C@H]32)ccc1CN 2139697331 TYNIZQTWDPMWRB-NWDGAFQWSA-N 261.325 0.621 10 10 CCCE CCCN[C@@H](C)c1ccc(N2C[C@H](O)[C@H](O)C2)cc1O 233118709 KUVQKJDXLFORPE-NZVBXONLSA-N 280.368 0.995 10 10 CCCE CN(C)C(=O)[C@@H]1CNCCN1Cc1ccc(Cl)cc1O 2146321387 PVOCYUZMOKYJOW-LBPRGKRZSA-N 297.786 0.908 10 10 CCCE CO[C@@H]1CN(c2ccc3c(c2)N(C)C(=O)[C@H]3N)C[C@H]1F 2146470757 YEOBZBAOPLEAJX-RTXFEEFZSA-N 279.315 0.836 10 10 CCCE Oc1cc(F)ccc1CN[C@@H]1C[C@H]2C[C@H]1[C@H](O)[C@@H]2O 1974156804 IPQCGKUOCCYIGB-QGOIZSIMSA-N 267.300 0.751 10 10 CCCE Nc1ccc(N2CCN(C(=O)c3c[nH]nn3)CC2)cc1 157399828 GZIPWCWTXOVSNC-UHFFFAOYSA-N 272.312 0.349 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@H](C2CNC2)C1 2149896229 DTIUWLZPDHEQDF-NSHDSACASA-N 276.336 0.708 10 10 CCCE O=C(O)[C@@H]1CC2(CC2)CN1C(=O)c1cc(O)nc(O)c1 2152443748 DIZWQKAZGDHANJ-QMMMGPOBSA-N 278.264 0.572 10 10 CCCE C[C@@H](O)CN(C)C(=O)c1ccn(-c2ccc(N)cc2)n1 51816928 DFQSQQKDUIFESA-SNVBAGLBSA-N 274.324 0.907 10 10 CCCE Cc1ccc(CNC[C@@H](C)S(N)(=O)=O)c(O)c1 2024809331 YJRRJYFAGUIMQA-SECBINFHSA-N 258.343 0.467 10 10 CCCE C[C@@]1(O)CON(C(=O)COc2ccc(N)cc2)C1 2032464847 XMZMCKNTNKKWPQ-LBPRGKRZSA-N 252.270 0.172 10 10 CCCE C[C@]1(O)CCN(C[C@H](O)COc2ccc(N)cc2)C1 300101362 DCUYUEBUVVPNIS-JSGCOSHPSA-N 266.341 0.465 10 10 CCCE COCCN1C[C@H](O)[C@H](N2CCC(CN=[N+]=[N-])CC2)C1 2156897652 KVTZWJDEYLMAQQ-OLZOCXBDSA-N 283.376 0.700 10 10 CCCE COc1ccc(CN2CC[C@@H]3C(=O)NC[C@@H]3C2)c(O)c1 2157180079 QSHVFOCSFYCGNS-YPMHNXCESA-N 276.336 0.969 10 10 CCCE NCC1(F)CC(C(=O)NCCc2ccc(O)c(O)c2)C1 2161027819 YLUSAMRPBBTLOD-UHFFFAOYSA-N 282.315 0.834 10 10 CCCE COC[C@@H]1CCOCCN1C(=O)c1ccc(O)c(O)c1 2161255006 FOIWJFXCXBZVPH-NSHDSACASA-N 281.308 0.975 10 10 CCCE NC(=O)[C@@H]1CCCN1c1cc2c(cc1Cl)[C@H](N)C(=O)N2 703154992 DIFVYYVIZGKVLH-ONGXEEELSA-N 294.742 0.746 10 10 CCCE COCC(COC)S(=O)(=O)Nc1ccc(O)cc1N 688567940 GMAPDWOSQYNUTQ-UHFFFAOYSA-N 290.341 0.378 10 10 CCCE CCN1CC[C@@](NCCCN=[N+]=[N-])(C(=O)OC)C1 385629735 RZXDWTBBYIXVMC-NSHDSACASA-N 255.322 0.914 10 10 CCCE C[C@H]1CNCC[C@@H]1NC(=O)c1cc(O)nc(O)c1 389795871 UFCRCDNHWLAHQP-CBAPKCEASA-N 251.286 0.221 10 10 CCCE CNCc1ccc(N2CC[C@H](O)[C@H](CO)C2)c(F)c1 396827278 CCIZFOIETOBAQW-FZMZJTMJSA-N 268.332 0.725 10 10 CCCE Cc1cc(O)n2ncc(C(=O)N(C)C[C@@H](C)O)c2n1 2062434399 KZKGOBNCKTXDIZ-MRVPVSSYSA-N 264.285 0.196 10 10 CCCE CCN(CCN=[N+]=[N-])S(=O)(=O)C(COC)COC 2315991966 FPBFDSVARVNMIF-UHFFFAOYSA-N 280.350 0.610 10 10 CCCE C[C@@H](NC(=O)c1cc(O)nc(O)c1)c1nnc(CO)s1 2192593108 GDOPFYAWOSDODE-RXMQYKEDSA-N 296.308 0.328 10 10 CCCE CN[C@@H](C)[C@@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)C1 2188916635 QVEANHQPGFNKCE-DTWKUNHWSA-N 280.324 0.873 10 10 CCCE C[C@@](O)(CCO)CNCc1ccc(O)c(O)c1O 2045296831 LYVWHJAJFFZENT-GFCCVEGCSA-N 257.286 0.026 10 10 CCCE C[C@H](c1ccc(F)cc1O)N1C[C@H](N)C[C@@H](O)C1 2049119952 JIRFJTPREPTUDI-FBIMIBRVSA-N 254.305 0.986 10 10 CCCE Cc1nn(C)c(Cl)c1[C@@H](NCCN=[N+]=[N-])C(N)=O 2054954230 HNXNZRCHXPGRAQ-SSDOTTSWSA-N 271.712 0.808 10 10 CCCE O=C(NC[C@H]1OCC[C@@H]1F)c1ccc(O)c(O)c1 2058666918 DYRFDMANDHWTCQ-GZMMTYOYSA-N 255.245 0.955 10 10 CCCE CNCc1ccc(N2CCC[C@H]2[C@H](O)CO)cc1 2059269843 OQGWBTVVJGUBDW-UONOGXRCSA-N 250.342 0.728 10 10 CCCE NCC1(F)CC(CNC(=O)COc2ccc(N)cc2)C1 2191661698 KFEUNASZJCWWKT-UHFFFAOYSA-N 281.331 0.841 10 10 CCCE CCC[C@H](Nc1c(N)cccc1C(N)=O)C(N)=O 2066438739 MIPZUFPAROABQH-VIFPVBQESA-N 250.302 0.434 10 10 CCCE O=C(NCCC1CNC1)c1cc(O)c(O)c(O)c1 2068618916 UYDTVKJXDGKGAM-UHFFFAOYSA-N 252.270 0.143 10 10 CCCE CCS(=O)(=O)CCN1CCc2cc(CN)ccc21 2069540030 RKJRTSGJJUBBGR-UHFFFAOYSA-N 268.382 0.943 10 10 CCCE NC[C@H]1CN(C(=O)Nc2ccc(N)cc2)CCO1 2071558119 IJUBNWBRLSWUQK-NSHDSACASA-N 250.302 0.460 10 10 CCCE CO[C@H](C)[C@H](NC(=O)Cc1ccc(N)cc1)C(=O)O 2087696720 BDOZZKMPYNYLRX-PELKAZGASA-N 266.297 0.416 10 10 CCCE CCOc1cccc(CNCCn2cnnn2)c1O 2090426821 BFMCCCNJCWTHIM-UHFFFAOYSA-N 263.301 0.567 10 10 CCCE CN1CCN(c2ccc(CO)cc2[N+](=O)[O-])[C@@H]2C[C@H]21 2112100230 CVKPXGBWVCNGNZ-VXGBXAGGSA-N 263.297 0.980 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N3CC[C@]3(C)CO)ccc21 2097239799 XVROAHWBHSYJFH-TZMCWYRMSA-N 261.325 0.860 10 10 CCCE Nc1ccc(OCC(=O)N2C[C@H]3CCO[C@H]3C2)cc1 2115402558 SJGVEDBXPOPSFF-MFKMUULPSA-N 262.309 0.895 10 10 CCCE COc1cc(N2CC[C@H]3CC(=O)N[C@H]3C2)ccc1CO 2204551565 UCHLUXUWJJBHAV-GWCFXTLKSA-N 276.336 0.902 10 10 CCCE CN(C)C(=O)[C@H]1CNCCN1Cc1ccc(F)cc1O 2204626319 VKIUCAKKBKJZQL-GFCCVEGCSA-N 281.331 0.393 10 10 CCCE C[C@H](c1ccc(O)cc1O)N1CCOC2(CNC2)C1 2272931161 QOAOOQSBJVMMPO-SNVBAGLBSA-N 264.325 0.833 10 10 CCCE C[C@H](CO)S(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1 2220608261 QBWULUUCLQBZIG-ZCFIWIBFSA-N 276.270 0.423 10 10 CCCE CCN[C@H](COc1ccc(N(C)C)cc1)C(N)=O 2221874441 PPVCEJHVWIFURY-GFCCVEGCSA-N 251.330 0.595 10 10 CCCE COc1ccc(N(C)C(CO)CO)c(CNC2CC2)c1 2235965228 CGJUKKLOATZNHY-UHFFFAOYSA-N 280.368 0.737 10 10 CCCE COc1ccc(N2CC[C@@H]3CS(=O)(=O)C[C@H]32)c(CN)c1 2235954239 KSVCYTPKMHNSDO-QMTHXVAHSA-N 296.392 0.777 10 10 CCCE COc1ccc(N(C)Cc2ncn(C)n2)c(CN)c1 2227681085 GHNFYOGOCVNPQE-UHFFFAOYSA-N 261.329 0.919 10 10 CCCE NCCc1nc(=NC(=O)Cc2ccc(N)cc2)s[nH]1 2229902201 HONBQLKSFVCIHO-UHFFFAOYSA-N 277.353 0.225 10 10 CCCE CSc1ncc(CNC(=O)[C@H](N)[C@@H](C)O)s1 2243773541 OWRNGTCDXVDQAT-IYSWYEEDSA-N 261.372 0.189 10 10 CCCE COc1n[nH]cc1CNC(=O)c1cccc(O)c1O 2268600153 TVVRZVLFTHUZLG-UHFFFAOYSA-N 263.253 0.760 10 10 CCCE OC[C@@H]1CN(c2ccc(OC(F)F)cc2)C[C@H](O)[C@@H]1O 2295854237 CWOWVJCRCCKPAD-KPXOXKRLSA-N 289.278 0.438 10 10 CCCE Nc1ccc(NC(=O)N2CC3(CNC(=O)CO3)C2)cc1 2289729530 FBYZDAIPWQNZFB-UHFFFAOYSA-N 276.296 0.002 10 10 CCCE CN(CC(=O)NC1CC1)c1cc2c(cc1N)OCCO2 36131397 ZDOFPGUPHSWWNH-UHFFFAOYSA-N 277.324 0.755 10 10 CCCE [N-]=[N+]=NCCN[C@]1(C(N)=O)C[C@H]2[C@@H]3CC[C@@H](O3)[C@H]21 2310677978 OWSDAKFIZAGYQW-ZCLKDUABSA-N 251.290 0.308 10 10 CCCE C[C@@H](O)c1ccc(N2C[C@H](O)[C@@H]3COC[C@@H]32)cc1O 2329195027 RYAUFPSOGICDSB-XFOOOJQKSA-N 265.309 0.641 10 10 CCCE CCOc1ccc(N2CCNC[C@H]2CC(N)=O)cc1 2343317996 MUMAIJXLQUZEAE-GFCCVEGCSA-N 263.341 0.739 10 10 CCCE CN(C)CC1(O)CN(C(=O)Nc2ccc(N)cc2)C1 2343626387 DHFVKHJCLBCWQS-UHFFFAOYSA-N 264.329 0.409 10 10 CCCE CN(C)c1ccc(/C=C/C(=O)NCCOCCO)cc1 55470655 BKTPJBVIUSMPBM-VMPITWQZSA-N 278.352 0.891 10 10 CCCE COc1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CF)c(F)c1 2219614396 JEGLUXFPOKNQNV-SDDRHHMPSA-N 259.252 0.714 10 10 CCCE CN(C)c1ccc(CNC(=O)C(C)(CO)CO)cc1F 129993858 KZMJADGKGHIDMM-UHFFFAOYSA-N 284.331 0.499 10 10 CCCE OCc1cc(F)c(N2CC[C@@H]3C[C@H]2[C@H](O)[C@@H]3O)c(F)c1 2357585215 JKABCRSPOCPBJR-VAYSNVFOSA-N 285.290 0.778 10 10 CCCE CN[C@@H]1CCCN(C(=O)c2cccc(O)c2O)C1 125933195 MVNSTNWPKJADNR-SECBINFHSA-N 250.298 0.922 10 10 CCCE CC(C)N(C)S(=O)(=O)NCc1cc(N)ccc1O 42520256 DDEVCJOHQKDGIJ-UHFFFAOYSA-N 273.358 0.649 10 10 CCCE CC(C)[C@@H](N)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 40486843 HPTTUQOKNJYJKN-JOYOIKCWSA-N 296.323 0.193 10 10 CCCE COC(OC)[C@@H](C)NCc1ccc(O)c(O)c1O 234596016 JNOVQMFQKHAFFR-SSDOTTSWSA-N 257.286 0.900 10 10 CCCE CC(=O)C(=O)COC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F 808544608 FTUKLKUWRGZIAJ-ZETCQYMHSA-N 295.213 0.241 10 10 CCCE CO[C@H]1C[C@@H](O)CN(c2cc3c(cc2N)OCCO3)C1 2165321777 GUWISTAKYPRZCN-ZJUUUORDSA-N 280.324 0.626 10 10 CCCE CCC(=O)N1CCC[C@@H](C(=O)OCC(=O)C(C)=O)C1 808506622 OAAQGZXLUUZUBA-SNVBAGLBSA-N 269.297 0.336 10 10 CCCE CN(C(=O)c1cc(O)c(O)c(O)c1)C1(CCO)CC1 2133556326 QZUCKNUUROVVAW-UHFFFAOYSA-N 267.281 0.790 10 10 CCCE CO[C@@H]1C[C@@H]2C[C@](NCCCN=[N+]=[N-])(C(N)=O)C[C@@H]21 2133892178 QHLAULKCIDXPKW-DTHBNOIPSA-N 267.333 0.945 10 10 CCCE NS(=O)(=O)C[C@H]1CCCN1C(=O)c1cc(O)cs1 740926312 JLCKXJVNOKVAIB-SSDOTTSWSA-N 290.366 0.347 10 10 CCCE CC(=O)C(=O)COC(=O)c1c(Br)n[nH]c1C 924088959 QQGRPNDFOCKBHA-UHFFFAOYSA-N 289.085 0.796 10 10 CCCE O=C(/C=C\c1ccc(O)c(O)c1)O[C@H]1CCNC1=O 759595155 IPFQZEFZPGKPKG-MORRKMRCSA-N 263.249 0.543 10 10 CCCE CN[C@@H]1CCN(c2cc3c(cc2N)NC(=O)CC3)C1 1876303488 ZDMLBLITVSPYCI-SNVBAGLBSA-N 260.341 0.952 10 10 CCCE NC[C@H]1CCCN1c1cc2c(cc1N)OCC(=O)N2 1876308065 WHFCLOJDKCNVGA-MRVPVSSYSA-N 262.313 0.527 10 10 CCCE NC[C@H]1CCCCN1S(=O)(=O)Cc1ccc(N)cc1 1876537766 YJLIAOHBYPINEJ-CYBMUJFWSA-N 283.397 0.912 10 10 CCCE C[C@]1(NC(=O)COc2ccc(N)cc2)CCCNC1 1876525983 UHXCMDJDPVRCTJ-AWEZNQCLSA-N 263.341 0.906 10 10 CCCE O=C(/C=C\c1ccc(O)c(O)c1)N1C[C@H](O)C[C@H]1CO 775393455 BXAUDEAWAIKJKE-TWLCVDABSA-N 279.292 0.065 10 10 CCCE COc1cccc(CN[C@H]2CCOC[C@H]2CO)c1O 1878775433 QDCOEPULEDVUSM-NEPJUHHUSA-N 267.325 0.888 10 10 CCCE C[C@H]1CN(Cc2cc3c(cc2O)OC[C@H]3O)CC(=O)N1C 799954917 AHOCQBUMFRBERU-TVQRCGJNSA-N 292.335 0.481 10 10 CCCE CC[C@@H](NC(C)=O)C(=O)NCc1c(O)cccc1O 1304053832 TVTUWFZWWAHHBY-SNVBAGLBSA-N 266.297 0.629 10 10 CCCE CNCc1nnc([C@H](N)c2ccc(O)cc2O)o1 83382238 RSDVITMPDYIDSK-SNVBAGLBSA-N 250.258 0.248 10 10 CCCE Nc1ccc(OCCN2C[C@@H](CO)[C@H](CO)C2)cc1 704676743 UOJYYNVJSFMFBB-RYUDHWBXSA-N 266.341 0.180 10 10 CCCE C[C@H](N)c1ccc(N2C[C@@H](CO)[C@H](CO)C2)c(F)c1 704776382 SFYARUWUKFRNKZ-DLOVCJGASA-N 268.332 0.882 10 10 CCCE C[C@H](c1nn[nH]n1)N(C)C(=O)c1ccc(O)c(O)c1 707198625 WAPHCLRAZTYVNH-ZCFIWIBFSA-N 263.257 0.444 10 10 CCCE CN(CCCc1ccc(N)cc1)Cc1nnnn1C 707462803 MSMNIHWDPWWIFF-UHFFFAOYSA-N 260.345 0.857 10 10 CCCE C[C@H](O)c1ccc(N2CCN(C)C[C@@H]2CO)cc1O 699544003 OXQNAAXMXZVVHD-CMPLNLGQSA-N 266.341 0.558 10 10 CCCE C[C@@H](O)c1ccc(N2CCN(C)C[C@H]2CO)cc1O 699544008 OXQNAAXMXZVVHD-PWSUYJOCSA-N 266.341 0.558 10 10 CCCE Nc1ccc(CNC[C@@H]2C[C@H]3C[C@H]2[C@H](O)[C@H]3O)cc1 2117789298 JNBQLYMGLBWMGQ-OPYWOCCESA-N 262.353 0.736 10 10 CCCE Nc1ccc(CCC(=O)N2CC(F)(C(=O)O)C2)cc1 2121859553 TZHUTZYUTGXAQZ-UHFFFAOYSA-N 266.272 0.837 10 10 CCCE Cn1cccc([C@@H](O)[C@H](N)c2ccccc2O)c1=O 2121262694 FKGUUGYNEOVSLQ-CHWSQXEVSA-N 260.293 0.824 10 10 CCCE COc1ccc(CN2CC[C@H](N)[C@H](CO)C2)c(O)c1 2122394867 ZGSAQKWWLPSELD-AAEUAGOBSA-N 266.341 0.542 10 10 CCCE C[C@@H](CC(N)=O)NC(=O)c1ccc(N=NC(N)=O)cc1 1627724141 QNFWIHRZWRNRJF-ZETCQYMHSA-N 277.284 0.843 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCN1CCS(=O)(=O)CCC(N)=O 2123020988 RCPDWFMATMXOEY-VIFPVBQESA-N 289.361 0.051 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)[C@H](O)c1ccccn1 1566369764 UMCHIACWLMITEF-CQSZACIVSA-N 288.303 0.885 10 10 CCCE C[C@H]1C[C@@H](O)CN(C(=O)Cc2ccc(O)c(O)c2)C1 1626614295 KLZXDMFJQFAXKG-GXSJLCMTSA-N 265.309 0.870 10 10 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COCCS(=O)(=O)CCN1CC[C@H](N=[N+]=[N-])C1 1912166756 BKFOVHYOZXXMMS-VIFPVBQESA-N 262.335 0.432 10 10 CCCE OCc1ccc(N2CC3(C2)OC[C@H](O)[C@@H]3O)c(Cl)c1 2127262723 CYVCTKKOBVUTQD-RYUDHWBXSA-N 285.727 0.143 10 10 CCCE Cc1nnc2n1C[C@H](C(=O)Nc1ccc(N)cc1)C2 1966817569 VLVHHEXFXGXORG-SECBINFHSA-N 257.297 0.980 10 10 CCCE O=C(O)[C@H](CO)N1C(=O)/C(=C\c2ccc[nH]2)SC1=S 1858595585 DHYXXTXHRUNGQN-PUSOHNNWSA-N 298.345 0.661 10 10 CCCE Nc1ccc(CC(=O)N2CC[C@]3(CNCCO3)C2)cc1 1967079332 UKGLDZDEJNNWQT-HNNXBMFYSA-N 275.352 0.402 10 10 CCCE COc1ccc(N2CC[C@@H](NCC(=O)O)C2)cc1 259481388 YZIFOCDJWNCFPZ-SNVBAGLBSA-N 250.298 0.948 10 10 CCCE O=C(N[C@@H]1C[C@H]2COC[C@@H]21)c1cc(O)c(O)c(O)c1 2132399806 IFSYNOIUUAWZKP-XHNCKOQMSA-N 265.265 0.568 10 10 CCCE CON(C)CCCNC(=O)c1cccc(O)c1O 824559934 DOGMDIWEUSGNPZ-UHFFFAOYSA-N 254.286 0.711 10 10 CCCE C[C@]1(CNC(=O)CCc2ccc(N)cc2)CC(=O)N1 2141270362 LRVIVVYNYHVRBL-CQSZACIVSA-N 261.325 0.596 10 10 CCCE C[C@H](NC(=O)c1ccc(O)c(O)c1)C(=O)N1CCCC1 227023351 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CC(C)N(CCC(=O)Nc1ccc(N)cc1)CC(N)=O 42427873 JPSQMUHHJRKQTF-UHFFFAOYSA-N 278.356 0.793 10 10 CCCE NC(=O)[C@H]1CCCCN1c1cc2c(cc1N)OCCO2 42406005 UTTIWSBAZVQYSS-SNVBAGLBSA-N 277.324 0.884 10 10 CCCE CN(C)C(=O)CCN(CC(N)=O)Cc1ccc(N)cc1 37898099 RAPJMGVNARENTO-UHFFFAOYSA-N 278.356 0.034 10 10 CCCE CC[C@H](N)c1ccc(N2CCOC[C@@H]2[C@H](O)CO)cc1 2146329177 LZZHRURKUUCMSO-RRFJBIMHSA-N 280.368 0.655 10 10 CCCE CCc1nnc(Cn2ccc3c(c2=O)CNCC3)n1C 2150798514 VCRXFZSCGFMPKW-UHFFFAOYSA-N 273.340 0.233 10 10 CCCE O=c1ccccn1CCn1ccc2c(c1=O)CNCC2 2150796246 VXXIZYPIFWWLLW-UHFFFAOYSA-N 271.320 0.356 10 10 CCCE COc1ccc(N2CC[C@@H](N(C)S(C)(=O)=O)C2)c(N)c1 2146917177 GFVWMSYBPBISFW-SNVBAGLBSA-N 299.396 0.748 10 10 CCCE COc1cccc(O)c1CN1CC[C@H]2C(=O)NC[C@@H]2C1 2160714723 SAGKVNDIVVQUPC-GHMZBOCLSA-N 276.336 0.969 10 10 CCCE CCn1nncc1CNC(=O)COc1ccc(N)cc1 2156483200 GMLDACZEZLARNL-UHFFFAOYSA-N 275.312 0.575 10 10 CCCE COCCOCCS(=O)(=O)Cc1ccc(N)cc1 2029196076 RHXKBYIUIASSSV-UHFFFAOYSA-N 273.354 0.847 10 10 CCCE CN=c1nc(N(C)C)nc(C2=S=Nc3ccccc32)[nH]1 2159943904 LQLXRELIWMWFIY-UHFFFAOYSA-N 286.364 0.881 10 10 CCCE COC[C@@H](N[C@@H](C)c1ccc(O)cc1O)C(N)=O 2034942229 XNVFYHKCFVGJAB-OIBJUYFYSA-N 254.286 0.249 10 10 CCCE COC[C@@](C)(CCO)NCc1ccc(O)c(O)c1 2040247500 OKJYIDGLOAONTK-CYBMUJFWSA-N 255.314 0.975 10 10 CCCE [N-]=[N+]=NCCN[C@]1(C(N)=O)COC[C@H]1CC1CC1 2040273712 RVZBUSKCTIPIHA-MWLCHTKSSA-N 253.306 0.557 10 10 CCCE NCc1cc(-c2nc(-c3ccc(O)c(O)c3)no2)n[nH]1 2158216078 YQNINJMQTPWLQG-UHFFFAOYSA-N 273.252 0.997 10 10 CCCE CO[C@@H]1CN(C(=O)Cc2ccc(N)cc2)[C@@H]2COC[C@@H]12 2158352807 JBICGIRGASNSGL-MGPQQGTHSA-N 276.336 0.684 10 10 CCCE Cn1cc(NS(=O)(=O)Cc2ccc(N)cc2)nn1 701863124 ICXLNZTYOHFRIU-UHFFFAOYSA-N 267.314 0.339 10 10 CCCE O=C(NC[C@@H]1C[C@@H](O)C12CCC2)c1cc(O)nc(O)c1 2172233622 CDLLOJHGZFSVHF-VHSXEESVSA-N 278.308 0.774 10 10 CCCE CO[C@](C)(CN)CNC(=O)c1cccc(O)c1O 702599824 YZIIETKIEUQQJN-GFCCVEGCSA-N 254.286 0.191 10 10 CCCE CN(C1CC1)C1CN(S(=O)(=O)Cc2ccc(N)cc2)C1 2172999203 HOEFUTLJLLKROP-UHFFFAOYSA-N 295.408 0.877 10 10 CCCE Cc1nn(CCC(=O)Nc2ccc(N)cc2)c(=O)n1C 691718573 YJBLDLOAFNBFGD-UHFFFAOYSA-N 275.312 0.501 10 10 CCCE NC[C@@H]1C[C@H](C(=O)NCc2ccccc2O)CO1 713797391 VFHYIHFUFNQPGV-QWRGUYRKSA-N 250.298 0.372 10 10 CCCE Cc1cc(O)n2ncc(C(=O)N3CCN4CC[C@H]3C4)c2n1 2065054326 VWHYIEGLVGFZRJ-JTQLQIEISA-N 287.323 0.273 10 10 CCCE CN(C)C[C@H]1C[C@H](N)CN1C(=O)c1cccc(O)c1O 2178867118 KSSBKEOFVGKNHS-VHSXEESVSA-N 279.340 0.201 10 10 CCCE O=C(O)C[C@H]1C[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)C1 2188867782 GQDGUUQRNPFUPW-WRXNHJIOSA-N 281.264 0.787 10 10 CCCE C[C@@H](N)c1cc(F)c(N2CC[C@@](O)(C(N)=O)C2)c(F)c1 2194701229 BHCPKAGHNMNJDS-UHLUBPPHSA-N 285.294 0.411 10 10 CCCE NCc1ccc(N2CC[C@@H]3OCC(=O)N[C@H]3C2)cc1Cl 2185522438 PGZPJUHLSQMCTM-STQMWFEESA-N 295.770 0.892 10 10 CCCE CCOC1(C(=O)NCc2ccccc2O)CNC1 2051297291 NFDAZXHRMMOXBM-UHFFFAOYSA-N 250.298 0.387 10 10 CCCE CCOC(=O)c1cccc(N)c1N[C@H]1COCC[C@H]1N 2191700250 NZSJEEIAUHGIEY-PWSUYJOCSA-N 279.340 0.974 10 10 CCCE COc1ccc(CN2C[C@H](N)[C@@H](OC)C2)c(O)c1 2058778016 ZGVASUDHNXVACP-AAEUAGOBSA-N 252.314 0.559 10 10 CCCE CN(c1ccc(CN)cc1F)[C@H]1CCC(=O)NC1 2063570325 ZLPDQKOHGJAEJH-JTQLQIEISA-N 251.305 0.999 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H](F)[C@H](F)C1 2068567675 RNRXEHUAGQMPAP-RNFRBKRXSA-N 259.208 0.935 10 10 CCCE O=C(O)C[C@H]1COC[C@@H]1NC(=O)c1cccc(O)c1O 2187932409 VTSQKEMBXUWTEE-CBAPKCEASA-N 281.264 0.317 10 10 CCCE C[C@H](NS(=O)(=O)[C@H](C)C(=O)O)c1ccccc1O 2072482348 RQKWOLHFIDTFEN-JGVFFNPUSA-N 273.310 0.846 10 10 CCCE O=C(N[C@H]1C[C@H](CCO)C1)c1ccc(O)c(O)c1 2078443253 FTBMNLAVNBTTML-CZMCAQCFSA-N 251.282 0.989 10 10 CCCE Nc1ccc(O)c(CN2CC[C@H](O)C[C@@H]2CO)c1 2080491446 HEDSHNQIFNXVNJ-NEPJUHHUSA-N 252.314 0.292 10 10 CCCE CNCc1ccc(N2CC[C@@H](O)[C@](C)(O)C2)cc1 2081717505 WRYXIGAAXNUGMH-ZIAGYGMSSA-N 250.342 0.728 10 10 CCCE C[C@H]1C[C@H](C(=O)O)N(C(=O)c2cc(O)nc(O)c2)C1 2102994438 NASPTLDIFYCSTO-POYBYMJQSA-N 266.253 0.428 10 10 CCCE C[C@H]1CNCC[C@@H](NC(=O)c2cc(O)nc(O)c2)C1 2103296693 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CCCE Cc1cc(N2C[C@@H]3COC[C@]3(CO)C2)ccc1CN 2226162521 DAVIDCMIOBUJKA-UKRRQHHQSA-N 262.353 0.899 10 10 CCCE COc1ccc(N2C[C@H]3C[C@H]2[C@@H](O)[C@@H]3O)c(F)c1F 2226932882 XSQIPTMRSHOVJG-SOJLBTSZSA-N 271.263 0.904 10 10 CCCE Cc1ccc(CN2C[C@@H]3CN[C@H](CO)[C@H]3C2)c(O)c1 2227310351 FTXYLKHVAFKANO-MELADBBJSA-N 262.353 0.713 10 10 CCCE COc1ccc(N2C[C@H](O)[C@@H]3COC[C@@H]32)c(CO)c1 2227710020 APNZOCPJORAUHF-XBFCOCLRSA-N 265.309 0.383 10 10 CCCE COc1ccc(N(C)C[C@]2(O)CCOC2)c(CO)c1 2227711969 UZAVWFLOJHUDSN-CQSZACIVSA-N 267.325 0.775 10 10 CCCE Cc1cc(O)cc(C)c1NS(=O)(=O)N1CCN[C@@H](C)C1 2239753898 KOVMIKMVJOMWGD-NSHDSACASA-N 299.396 0.959 10 10 CCCE COc1ccc(N(CCO)CCO)c2c1CCC2 2257001394 QPOVDVLYZSCNRT-UHFFFAOYSA-N 251.326 0.975 10 10 CCCE CCO[C@]1(CS(=O)(=O)CCN=[N+]=[N-])CCOC1 2250062648 QPUDOPPBRIGFKA-SECBINFHSA-N 263.319 0.907 10 10 CCCE COc1ccc(N2CC3(CCC(=O)NC3)C2)c(CO)c1 2280244515 AVAHDTFNZJURAP-UHFFFAOYSA-N 276.336 0.904 10 10 CCCE Cc1nn(C)nc1[C@@H](N)[C@@H](O)c1ccc(N(C)C)cc1 2290306397 RQIFJKOJQICNTK-OCCSQVGLSA-N 275.356 0.923 10 10 CCCE COC[C@@H]1[C@H](O)[C@@H](O)CN1c1ccc([C@@H](C)O)c(C)c1 2285163757 AGRZTGRKTGFQAP-RABLLNBGSA-N 281.352 0.605 10 10 CCCE CC(C)[C@]1(NC(=O)c2ccc(O)c(O)c2)CCNC1=O 2296510920 XKBGUXUEGOULMF-CQSZACIVSA-N 278.308 0.742 10 10 CCCE [N-]=[N+]=NCCN[C@]1(C(N)=O)C[C@H]2[C@@H]1[C@@H]1CC[C@H]2O1 2310684645 OWSDAKFIZAGYQW-ZBGLXGBJSA-N 251.290 0.308 10 10 CCCE C[C@H](O)c1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CF)cc1O 2333233691 IWBUYCBXJAIENB-SWMFJSFKSA-N 271.288 0.325 10 10 CCCE COc1cc(N2C[C@@H]3[C@H](C2)CS3(=O)=O)ccc1CN 2336361669 LYVIQTLJYCCLIN-ZWNOBZJWSA-N 282.365 0.387 10 10 CCCE Cn1nnnc1SCC(=O)Nc1ccc(N)cc1 874529 QSHXKADVJSISAW-UHFFFAOYSA-N 264.314 0.523 10 10 CCCE Cn1ccc(=O)n(CCC(=O)Nc2ccc(N)cc2)c1=O 111545716 CIBWUBUSYIXWDL-UHFFFAOYSA-N 288.307 0.158 10 10 CCCE CC[C@@H](CCO)NC(=O)COc1ccc(N)cc1 134312061 PHZOOFKCPOTWJE-NSHDSACASA-N 252.314 0.925 10 10 CCCE C[C@@H](C(=O)O)N1CCN(Cc2ccccc2O)CC1 86753604 LBHKPWSMKJVCQU-NSHDSACASA-N 264.325 0.983 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC1CCC(O)CC1 40457901 WOYHEUQGHMDNCL-MCIGGMRASA-N 294.351 0.387 10 10 CCCE CC(C)CNC(=O)CN(C)CC(=O)Nc1ccc(N)cc1 228244970 MBDQSGAAGVCCPW-UHFFFAOYSA-N 292.383 0.911 10 10 CCCE C[C@@H]1C(=O)NC(=O)CN1c1ccc(/C=C/C(=O)O)cc1 97296595 TVLUOABDCFOHBH-ILFKPUCNSA-N 274.276 0.636 10 10 CCCE Oc1ccc(CNC[C@H](O)C(F)(F)F)c(O)c1O 236515637 DHDOBEKNNVVUKG-ZETCQYMHSA-N 267.203 0.816 10 10 CCCE C[C@H]1CCN(S(=O)(=O)Cc2ccc(N)cc2)C[C@H]1O 299949128 AWGXIRVPQNTXEB-GXFFZTMASA-N 284.381 0.801 10 10 CCCE COc1ccc(N2CCN(C(=O)CC(N)=O)CC2)cc1F 267954251 KPKINDKROGLTEA-UHFFFAOYSA-N 295.314 0.358 10 10 CCCE Cn1ncc2c1CN(c1ccc3c(c1)NC(=O)[C@H]3O)C2 2168504750 PIYXRWISKCOPSQ-ZDUSSCGKSA-N 270.292 0.926 10 10 CCCE NC[C@@H]1C[C@@H]2CCC[C@H]2N1C(=O)c1cc(O)nc(O)c1 2164815286 SAONCPZJUXUQHI-INTQDDNPSA-N 277.324 0.835 10 10 CCCE COc1ccc(O)c([C@H](C)NC(=O)[C@H]2COC(=O)N2)c1 827304113 UAKGUFXUPPCLMY-OIBJUYFYSA-N 280.280 0.686 10 10 CCCE OCCO[C@@]1(CNCc2ccccc2O)CCOC1 850358120 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CN(C)c1ccc(CNS(=O)(=O)[C@@H]2CC[C@H]2N)cc1 2338257203 ISRAAOHMAXOIMY-CHWSQXEVSA-N 283.397 0.662 10 10 CCCE CO[C@H](CCS(C)(=O)=O)CNCc1ccccc1O 2338852614 QEOYJCBKNDYKET-GFCCVEGCSA-N 287.381 0.932 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N3C[C@@H](O)[C@H](O)C3)c(Cl)cc21 2354197506 JRUMPORUHFZWAN-IJLUTSLNSA-N 297.742 0.094 10 10 CCCE NC(=O)COC(=O)/C=C/c1ccc(N2CCOCC2)cc1 66656247 XSQQKOHKYYJLRU-ZZXKWVIFSA-N 290.319 0.565 10 10 CCCE [N-]=[N+]=NCCN[C@]1(C(=O)O)CC(=O)N2CCCC[C@@H]21 305935182 FSGMMKQGVWAVCY-LDYMZIIASA-N 267.289 0.495 10 10 CCCE CC(=O)NCCNC(=O)Nc1cc(O)c(O)c(O)c1 217278903 YBWDBTVPDZSCGL-UHFFFAOYSA-N 269.257 0.061 10 10 CCCE C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)COc1ccc(N)cc1 40330540 OTEPADTVRTTZRI-WDEREUQCSA-N 291.351 0.760 10 10 CCCE CN1C[C@H](CN2CCNCC2)c2cc3c(cc21)OCCO3 527415464 ILXURICTOVBEQC-GFCCVEGCSA-N 289.379 0.896 10 10 CCCE COc1ccc(N2CC(N3CCNCC3)C2)c(OC)c1 2162631351 MFPIMJHOLBRNPJ-UHFFFAOYSA-N 277.368 0.798 10 10 CCCE Nc1ccc(CNC(=O)CNC(=O)c2ccco2)cc1 700278795 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0.097 10 10 CCCE O=C(O)CN1CC[C@H](NCc2ccc(F)cc2O)C1 2139773882 KZFOFZLYLKCDBP-NSHDSACASA-N 268.288 0.780 10 10 CCCE NC(=O)[C@@H]1CCCCN1C(=O)c1ccc(O)c(O)c1 227018195 AHUBOXRQXVMRIR-VIFPVBQESA-N 264.281 0.578 10 10 CCCE N[C@H]1C[C@H](S(=O)(=O)NCc2ccccc2O)C1 1945626519 ZIYXCPGNEHDZTR-MGCOHNPYSA-N 256.327 0.301 10 10 CCCE COCCC[C@@H](NC(=O)Cc1ccc(N)cc1)C(=O)O 158725500 SNWVGGQGKSGVIR-GFCCVEGCSA-N 280.324 0.807 10 10 CCCE C[C@H](CO)NC(=O)c1ccn(-c2ccc(N)cc2)n1 35599162 VYRLOYVPUGTDHU-SECBINFHSA-N 260.297 0.565 10 10 CCCE CN(C)[C@@H]1CN(c2cc3c(cc2N)OCCO3)C[C@H]1O 2146153720 IOBUWOKVAKHCGI-VXGBXAGGSA-N 279.340 0.151 10 10 CCCE CC(=O)c1ccc(O)c(CN2C[C@H](CO)C[C@H]2CO)c1 2146120723 XNJWJVDLMSRQTR-RISCZKNCSA-N 279.336 0.770 10 10 CCCE CC(C)(C)S(=O)(=O)CCn1ccc2c(c1=O)CNCC2 2150801542 VCRYNKNJNPLUGZ-UHFFFAOYSA-N 298.408 0.707 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3CCO[C@H](CO)C3)ccc21 167219415 FHWFPTBTXKYFJA-GWCFXTLKSA-N 277.324 0.097 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CC[C@@](CO)(CCO)C1 2153344819 IBBLOKSUGFZZBV-CQSZACIVSA-N 281.308 0.305 10 10 CCCE CN(Cc1ccc(N)cc1)c1cncc2nnnn12 44610703 VWVISSQJLGZEIK-UHFFFAOYSA-N 255.285 0.738 10 10 CCCE Nc1ccc(O)c(CN2C[C@@H](CO)C[C@H]2CO)c1 2029367993 FNHXBNTUHXWYMQ-CABZTGNLSA-N 252.314 0.150 10 10 CCCE CN(Cc1ncno1)c1ccc2c(c1)N(C)C(=O)[C@@H]2N 2160400587 ZKXPOTKKIAATNO-GFCCVEGCSA-N 273.296 0.682 10 10 CCCE C[C@@H](CS(N)(=O)=O)N[C@@H](C)c1cc(O)ccc1O 2035455342 WHCNVXDLBSHHCS-YUMQZZPRSA-N 274.342 0.425 10 10 CCCE O=C(c1cccc(O)c1O)N1CC[C@H]2OCCN[C@H]2C1 404015262 RCYGWNXVDSJYQJ-CMPLNLGQSA-N 278.308 0.301 10 10 CCCE CC(C)OC(=O)CNC(=O)c1ccc(O)c(O)c1 312249360 CBIGDFVNSDJWSY-UHFFFAOYSA-N 253.254 0.779 10 10 CCCE Cc1cccc(O)c1CN1CCNC(=O)[C@H]1CC(=O)O 2160783788 BJFXYPDCLKETQG-LLVKDONJSA-N 278.308 0.476 10 10 CCCE CC1(C)NC(=O)N(CCC(=O)NCCN=[N+]=[N-])C1=O 701290660 CRGHFEGPMAEDCF-UHFFFAOYSA-N 268.277 0.133 10 10 CCCE Nc1ccc(OCC(=O)NCc2cnc(O)[nH]2)cc1 379738897 XOISOTXITOKPTC-UHFFFAOYSA-N 262.269 0.393 10 10 CCCE O=S1(=O)CC(NCc2cc3c(cc2O)OCO3)C1 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C[C@@H](c1c(O)cccc1O)N1CC[C@@]2(CNC(=O)N2)C1 2177680788 QFUIEAJUVVHCBQ-LKFCYVNXSA-N 277.324 0.916 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NC[C@H]1CC[C@H]1O 2059504695 XGNPAGLSMGNLTI-NXEZZACHSA-N 251.282 0.527 10 10 CCCE COc1cc(N)c(N2C[C@@H](O)C[C@@H](O)C2)cc1OC 2105069571 CBIFVJWOHUWCIR-DTORHVGOSA-N 268.313 0.218 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)C[C@@]23CC[C@H]2CNC3)C1 2086351582 BUTBMCCBDZKOEN-AYGWYOGXSA-N 250.342 0.642 10 10 CCCE CN1CCc2cc([C@H](NN)c3cncn3C)ccc21 2106852139 BVEYZQKHXLPWDI-AWEZNQCLSA-N 257.341 0.965 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1C[C@H]2CCNC[C@H]2C1 2087094543 KZSPALUOOYRPOR-SCZZXKLOSA-N 263.297 0.174 10 10 CCCE O=C(NC[C@H]1CCCNC1=O)c1ccc(O)c(O)c1 2087743117 MLSSOBAZCBBCED-SECBINFHSA-N 264.281 0.354 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3CC([C@H](F)CO)C3)ccc21 2110595169 NWYMZVMWLBPMOF-ZYHUDNBSSA-N 265.288 0.405 10 10 CCCE CCN[C@H](C)c1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)cc1 2201036432 TWQMBNGLRYSCGK-KJEVXHAQSA-N 280.368 0.260 10 10 CCCE [N-]=[N+]=NCCCCN1C[C@@H]2[C@H]3C[C@@H]([C@H](O)[C@H]3O)[C@@H]2C1 2228744001 ZMCFYBBLKSJIHL-DZDPUUJWSA-N 266.345 0.996 10 10 CCCE C[C@H](O)CN(CCN)c1ccc2c(c1)COCC2 2257563526 FWILDRSIZMDKFH-NSHDSACASA-N 250.342 0.905 10 10 CCCE CN(Cc1ccccc1O)C[C@@H]1CO[C@@H]2CNC[C@@H]2O1 2279763617 VEQJCTBDFSIEDN-YUELXQCFSA-N 278.352 0.580 10 10 CCCE COc1cccc(O)c1CN1C[C@@H](C)OC2(CNC2)C1 2288590935 QJJJLUVUJRTHDG-LLVKDONJSA-N 278.352 0.964 10 10 CCCE CO[C@@H]1[C@@H](O)C[C@H]1N[C@H](C)c1c(O)cccc1O 2313160263 YUPARVIUVNFAHA-ZCCMAOKESA-N 253.298 0.897 10 10 CCCE CO[C@H](CN)CN1CCc2cc(O)c(O)cc2C1 2318672060 WKDUELOIHQLDLL-LLVKDONJSA-N 252.314 0.430 10 10 CCCE Nc1ccc(NC(=O)CN2C(=O)[C@@H]3C=C[C@H]2C3)cc1 2329319358 QELCCEURTPIEGJ-SKDRFNHKSA-N 257.293 0.994 10 10 CCCE CN[C@@H](C)c1ccc(N2CC([C@@H](O)CO)C2)cc1O 2336780397 JSJLIQLHHZKSEW-XPTSAGLGSA-N 266.341 0.462 10 10 CCCE CN(CCCO)C[C@H](O)COc1ccc(N)cc1 302380006 IFUFKKQGFJUXTB-LBPRGKRZSA-N 254.330 0.323 10 10 CCCE O=c1cc[nH]cc1S(=O)(=O)Nc1ccc(O)cc1 71224466 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CN(C1[C@@H]2CNC[C@@H]12)S(=O)(=O)Cc1ccc(N)cc1 1876533469 PZNUEFMUWYWTQK-VXGBXAGGSA-N 281.381 0.248 10 10 CCCE CN(Cc1ccccc1O)S(=O)(=O)C[C@H]1CC[C@@H]1N 1877525370 RLVJJFTZMOBBLC-NEPJUHHUSA-N 284.381 0.891 10 10 CCCE CS(=O)(=O)N[C@@H]1CCN(c2ccc(CN)cc2)C1 703002963 KZOLXOYPRMYYBH-LLVKDONJSA-N 269.370 0.273 10 10 CCCE Oc1c(CNC[C@@H]2CN3CCN2CC3)ccc(F)c1F 703254551 ATIXTJSQTJHWPL-LLVKDONJSA-N 283.322 0.760 10 10 CCCE C[C@H](C(=O)Nc1ccc(N)cc1)N1CCN(C)C(=O)C1 84198138 NZRXOEHGAMKLRO-SNVBAGLBSA-N 276.340 0.370 10 10 CCCE CN1CCN(c2ccc(CN)c(Cl)c2)[C@H](CO)C1 699479322 QMBHEUZRIWLXHC-LBPRGKRZSA-N 269.776 0.911 10 10 CCCE CN[C@@H](C)c1ccc(N(C)[C@H]2CCNC2=O)cc1O 1916801661 MRIXIXBYQWDEDV-CABZTGNLSA-N 263.341 0.997 10 10 CCCE C[C@H](c1ccccc1O)N1CC(O)([C@H](F)C(=O)O)C1 2115649252 DVTKDXMMJRGNKM-LDYMZIIASA-N 269.272 0.923 10 10 CCCE CN(C(=O)Cc1ccc(N)cc1)C1(C(=O)O)COC1 2116490689 LLVVUJSWISQAKD-UHFFFAOYSA-N 264.281 0.123 10 10 CCCE COc1ccc(N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 2116795562 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0.479 10 10 CCCE N[C@@H](c1c(O)cc(O)cc1O)[C@H](O)C(F)(F)F 575282256 HDHYQJIWLYKUJW-YUMQZZPRSA-N 253.176 0.726 10 10 CCCE Cc1cc(CO)ccc1N1[C@H]2CC[C@H]1[C@@H](O)[C@H](O)C2 2133918670 FSCALHLXDZZHIL-SPWCGHHHSA-N 263.337 0.950 10 10 CCCE NCc1ccc(N2CC[C@@H]2[C@@H](O)CO)c(Cl)c1 2249580788 YTBRILQKDXNSOQ-NEPJUHHUSA-N 256.733 0.731 10 10 CCCE O=C(c1c(F)ccc(O)c1O)N1CCN2C[C@H](O)C[C@H]2C1 848391197 ZJTZKHPUJQTZNA-DTWKUNHWSA-N 296.298 0.128 10 10 CCCE CC(=O)N1CC[C@H](CNC(=O)c2cccc(O)c2O)C1 846169595 IFRWJONJLCEPLC-SNVBAGLBSA-N 278.308 0.696 10 10 CCCE O=C1CCN(C(=O)c2cc(O)cs2)C2(CN1)COC2 921795509 AVWFWMOKUMLPMY-UHFFFAOYSA-N 282.321 0.185 10 10 CCCE CN(C)c1ccc(CNC(=O)[C@@H](O)c2cnc[nH]2)cc1 864574489 AVUDWRWDZKOMLH-ZDUSSCGKSA-N 274.324 0.826 10 10 CCCE N=c1ccn(CC(=O)NCCc2ccc(N)cc2)[nH]1 1876511542 RMQUKYFIBYFAHD-UHFFFAOYSA-N 259.313 0.237 10 10 CCCE Nc1ccc(CS(=O)(=O)NCC[C@H]2C[C@H](N)C2)cc1 1876537648 WSKJOESDUPOJHC-AULYBMBSSA-N 283.397 0.816 10 10 CCCE O=C(COC(=O)[C@@H]1CCC[C@@H]1O)c1ccc(O)c(O)c1 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MGJRCVTWPZKPFT-SECBINFHSA-N 253.298 0.775 10 10 CCCE C[C@H](N)c1ccc(N2CC(NS(C)(=O)=O)C2)c(F)c1 703152275 WCDKFPOOWMIZEY-QMMMGPOBSA-N 287.360 0.583 10 10 CCCE CC(C)[C@H]1COC[C@]1(NCCCN=[N+]=[N-])C(N)=O 710999020 LUXPANOXBRZJAL-MWLCHTKSSA-N 255.322 0.803 10 10 CCCE CN(C)C[C@@]1(O)CCN(c2ccc(CO)cc2F)C1 713705136 JUXSHRNWIWIHIH-AWEZNQCLSA-N 268.332 0.821 10 10 CCCE CN(C)C(=O)OCCNCc1ccc(O)c(O)c1 689033386 OWDVJKSMQOAMHG-UHFFFAOYSA-N 254.286 0.886 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CCSC[C@@H]3CCO)ccc21 689757245 YHRLEOPLJRUUDX-GWCFXTLKSA-N 293.392 0.943 10 10 CCCE C[C@@H](O)CCNC(=O)c1ccn(-c2ccc(N)cc2)n1 85962267 PIBDNSDJGCHLLC-SNVBAGLBSA-N 274.324 0.955 10 10 CCCE Cn1nnnc1CCNCc1cc(F)ccc1O 779107353 ZWDFDDJWULURMH-UHFFFAOYSA-N 251.265 0.387 10 10 CCCE NCc1cc(F)c(N2C[C@@H](CO)[C@H](CO)C2)cc1Cl 2120882816 CABCPDXLOHAADV-UWVGGRQHSA-N 288.750 0.975 10 10 CCCE N[C@H]1CCN(c2ccc3c(c2)OCCO3)C[C@H]1CO 2122392361 OGSSYJQCXVOONY-JQWIXIFHSA-N 264.325 0.604 10 10 CCCE CNC[C@@H]1C(=O)NC[C@@H](C)N1c1ccc(OC)cc1 216991684 XXFCDPTUBHNHHU-ZWNOBZJWSA-N 263.341 0.608 10 10 CCCE OCC[C@@H]1CN(c2ccc3c(c2)OCO3)CCCN1 217095389 AFNDDBTXQHFLAV-LLVKDONJSA-N 264.325 0.966 10 10 CCCE COc1nscc1[C@@](C)(NCCN=[N+]=[N-])C(N)=O 1912158274 WFDFKIBHRJNMOT-SECBINFHSA-N 270.318 0.752 10 10 CCCE [N-]=[N+]=NC1CN(C(=O)CSCC(=O)N2CCOCC2)C1 1912182379 AXGIHPIOVPGNCW-UHFFFAOYSA-N 299.356 0.100 10 10 CCCE CS(=O)(=O)CS(=O)(=O)N1CCC[C@H](CN=[N+]=[N-])C1 1912182159 YIEIMIIWHJGCOK-MRVPVSSYSA-N 296.374 0.341 10 10 CCCE OCc1ccc(N2C[C@@H]3C[C@H](C2)[C@H](O)[C@H]3O)c(F)c1 2126155429 IKDYZKMMLBWZCY-DJBIQUGXSA-N 267.300 0.496 10 10 CCCE COc1cccc(CNC(=O)c2cnncc2O)c1O 1595799986 MULOMSUFCDBJDJ-UHFFFAOYSA-N 275.264 0.826 10 10 CCCE O=C(NCc1ccc(O)c(O)c1)c1cnncc1O 1595595404 DJVHCTCRRMAXIF-UHFFFAOYSA-N 261.237 0.523 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N(C)CCN(C)C)ccc21 111138458 YCJVKXRZEOFPIY-ZDUSSCGKSA-N 262.357 0.897 10 10 CCCE COc1ccc([C@H](C)NC2CN(C(N)=O)C2)c(O)c1 1917757419 UQQJBOKQHGBMRT-QMMMGPOBSA-N 265.313 0.814 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@H]1Cc2nncn2C1 1968865934 SIIUTJZLKGTCGU-NSHDSACASA-N 272.308 0.815 10 10 CCCE CNCc1ccc(N2C[C@H](O)C[C@H]2CO)cc1OC 2139683850 BOTKTAHNDJQQOP-QWHCGFSZSA-N 266.341 0.347 10 10 CCCE Cn1cc(CCNCc2ccc(F)cc2O)nn1 1967722841 HGCJFAIFJMUSSF-UHFFFAOYSA-N 250.277 0.992 10 10 CCCE N[C@@H]1CC[C@@H](C(=O)O)N(Cc2ccc(F)cc2O)C1 2139772009 JDXIROJWPJZCNZ-MNOVXSKESA-N 268.288 0.908 10 10 CCCE COc1cc(N2CCOC[C@@H](CO)C2)ccc1CN 2139701654 WKQLFVLUBRYXPM-LLVKDONJSA-N 266.341 0.599 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)Nc1cccnn1 227884632 WETJHMSEWXWUIW-VIFPVBQESA-N 274.280 0.396 10 10 CCCE C[C@@H](NS(=O)(=O)Cc1ccc(N)cc1)C(=O)NC1CC1 228899368 YKLLTCMJIVBQDR-SECBINFHSA-N 297.380 0.355 10 10 CCCE Nc1ccc(OCCC(=O)NC[C@H]2CC[C@@H]2O)cc1 2140534072 HFJUHMZFHAXWKU-MFKMUULPSA-N 264.325 0.925 10 10 CCCE N[C@H](c1nnc(C=CC(=O)O)o1)c1ccccc1O 1951311966 SHKMZLJOVADOOG-NSHDSACASA-N 261.237 0.921 10 10 CCCE C[C@H](c1ccccc1O)N1CCN[C@@H]2CS(=O)(=O)C[C@H]21 2143719618 MBDPGSMZGXSXEK-RAIGVLPGSA-N 296.392 0.524 10 10 CCCE C[C@H]1CC[C@@H](NC(=O)Cc2ccc(O)c(O)c2)CN1 1972223639 SWVRXJVFSPMHPZ-GXSJLCMTSA-N 264.325 0.897 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CC[C@H]2CNC[C@H]21 1972327298 TYARIRTXBNWUSW-QJPTWQEYSA-N 276.336 0.755 10 10 CCCE Nc1ccc(CC(=O)N[C@H]2CCO[C@@]23CCOC3)cc1 2144689694 MEFWLQXFPPRYNV-DZGCQCFKSA-N 276.336 0.876 10 10 CCCE NC[C@@H](C(=O)C(=O)C[C@H]1C[C@H](N)C1)C(F)(F)F 2003167090 LNWFKRLVSMGVPR-ACZMJKKPSA-N 252.236 0.389 10 10 CCCE O=C(O)CO[C@H]1CCN(C(=O)c2cccc(O)c2O)C1 2153117727 GKPVAWWEPJGUOZ-QMMMGPOBSA-N 281.264 0.414 10 10 CCCE NCc1ccc(N2C[C@@H]3CS(=O)(=O)C[C@H]3C2)cc1 2027585478 YIAQOYYMILKNGS-VXGBXAGGSA-N 266.366 0.626 10 10 CCCE Nc1ccc(CC(=O)N[C@H](CO)CCCO)cc1 2029916100 FORCYEZZAOYRLO-LBPRGKRZSA-N 252.314 0.061 10 10 CCCE O=C1CN[C@@H](c2cc(O)cc(Br)c2O)N1 308949760 UOEPRMBZGNACNB-SECBINFHSA-N 273.086 0.578 10 10 CCCE COCCN1CCN(CCc2ccc(N)cc2)CC1=O 2158785303 PIPPRSYWXTZADD-UHFFFAOYSA-N 277.368 0.602 10 10 CCCE CNC(=O)[C@H]1CNCCN1[C@@H](C)c1ccc(O)cc1O 89082722 CQFBXPAUJDWBPV-JOYOIKCWSA-N 279.340 0.179 10 10 CCCE CN(C)c1ccc([C@@H](CN)N(C)CCS(C)(=O)=O)cc1 94297767 HOTVZOALVQEHKC-CQSZACIVSA-N 299.440 0.729 10 10 CCCE CC1(C)C[C@H](C(=O)O)CN1C(=O)c1cc(O)nc(O)c1 2162144968 NASJCRREUSGXBK-QMMMGPOBSA-N 280.280 0.818 10 10 CCCE COC[C@](C)(CO)N(C)CC(=O)Nc1ccc(N)cc1 689816268 VQQQTCOKZHSPRR-AWEZNQCLSA-N 281.356 0.537 10 10 CCCE C[C@H](CO)CN(C)CC(=O)Nc1ccc(N)cc1 688359700 XAFYRKOVMHFNMG-JTQLQIEISA-N 251.330 0.768 10 10 CCCE Oc1ccc(CNC[C@@]23COC[C@@H]2C3)c(O)c1O 689192876 SRJFULMDQPKPMK-ZANVPECISA-N 251.282 0.930 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@]23COC[C@H]2C3)cc1 717974678 DBFFIHJJIBAUKY-ZYHUDNBSSA-N 268.338 0.477 10 10 CCCE C[C@@H]1CN(CC(=O)c2ccc(O)c(O)c2)C[C@H]1O 388892677 RWAGTNUZDGGDHM-PRHODGIISA-N 251.282 0.593 10 10 CCCE Cc1ccc(O)c(CNC[C@@H](C)S(N)(=O)=O)c1 398256405 ARONKUKFHDCQIT-SECBINFHSA-N 258.343 0.467 10 10 CCCE Nc1ccc(OCC(=O)NCC[C@H]2COC[C@@H]2O)cc1 2167636283 SLYSGAJRNSKNQF-GWCFXTLKSA-N 280.324 0.161 10 10 CCCE CNC(=O)c1ccnn1Cc1cc([N+](=O)[O-])ccc1O 2069928830 WOCXLASPYCBTCR-UHFFFAOYSA-N 276.252 0.905 10 10 CCCE C[C@H](NCC1CN(CC(=O)O)C1)c1cc(O)ccc1O 2169328043 ULCAVIAQIFGIEU-VIFPVBQESA-N 280.324 0.765 10 10 CCCE O=C(N[C@H]1CCN2CC[C@H]1C2)c1cc(O)c(O)c(O)c1 2192798893 IRCDPDCVTGYQQM-WPRPVWTQSA-N 278.308 0.627 10 10 CCCE COc1cccc(O)c1CN1C[C@H](N)CC[C@H]1C(=O)O 2188776088 MLJMXRBUAMRSMR-KOLCDFICSA-N 280.324 0.777 10 10 CCCE CCNC[C@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)C1 2188912694 MAVDDLSQDLMAEW-SECBINFHSA-N 280.324 0.875 10 10 CCCE CNCc1ccc(N2CC3(C2)OC[C@H](O)[C@@H]3O)c(Cl)c1 2183631094 GPEDQDNIAPHASH-STQMWFEESA-N 298.770 0.370 10 10 CCCE COCC[C@@](O)(COC)[C@@H](N)c1ccccc1O 2047288646 OLHAFWOHSCLHKT-QWHCGFSZSA-N 255.314 0.806 10 10 CCCE C[C@H](O)[C@@H]1CCN1CC(=O)c1ccc(O)c(O)c1 2061821350 NCNJHIJGWLNADP-WPRPVWTQSA-N 251.282 0.736 10 10 CCCE NCc1ccc(N2CC(CNC(N)=O)C2)cc1F 2067118006 WSBCEWSMSHOUOD-UHFFFAOYSA-N 252.293 0.389 10 10 CCCE CC[C@H](CNC(=O)c1cc(O)c(O)c(O)c1)OC 2068565284 BEIPPYAWHZNGPQ-MRVPVSSYSA-N 255.270 0.958 10 10 CCCE O=C1Nc2cc(N3CCO[C@@H]4COC[C@@H]43)ccc2[C@H]1O 2192649203 XATGYEHEYXFXCZ-YNEHKIRRSA-N 276.292 0.276 10 10 CCCE NC[C@H]1CC[C@@H]1C(=O)NCCc1ccc(O)c(O)c1 2101176559 ZSEOPUWDNDKAHQ-MNOVXSKESA-N 264.325 0.741 10 10 CCCE NCc1ccc(N2CC[C@@H](N3CC(O)C3)C2)c(F)c1 2102527232 IGLLSPFXAKHOAW-LLVKDONJSA-N 265.332 0.540 10 10 CCCE CS(=O)(=O)[C@@H]1CCC[C@](NCCN=[N+]=[N-])(C(=O)O)C1 2104526910 AZTIUKLDZMTTPY-PSASIEDQSA-N 290.345 0.697 10 10 CCCE NC(=O)NC1CN(CCCOc2ccc(N)cc2)C1 2106926542 VSNYAANQMGWSEW-UHFFFAOYSA-N 264.329 0.390 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CCC[C@@]12CCNC2 2088452084 CBZMRHULAXUODQ-ZDUSSCGKSA-N 263.297 0.461 10 10 CCCE CN1[C@@H](CNCc2ccc(O)c(O)c2)CCS1(=O)=O 2089105739 ISVLSSAWZNCJOG-SNVBAGLBSA-N 286.353 0.221 10 10 CCCE CN[C@H](C)c1ccc(N2CC(S(C)(=O)=O)C2)cc1O 2095964431 IFMAOMLMTOELHK-SECBINFHSA-N 284.381 0.906 10 10 CCCE C[C@@H](O)C[C@@H](C)N(CC(N)=O)Cc1ccc(N)cc1 2098642371 FMXGFTOFVLXEOS-GHMZBOCLSA-N 265.357 0.716 10 10 CCCE C[C@H](c1c(O)cccc1O)N1CC(=O)NC[C@H]1C(=O)O 2201036111 FHDGTVCOWWOKPL-SFYZADRCSA-N 280.280 0.044 10 10 CCCE COc1cc(N2CCCCC2(CO)CO)ccc1CO 2204556991 KMCHRBQENLOMPI-UHFFFAOYSA-N 281.352 0.901 10 10 CCCE Cc1cc([C@H](C)N)ccc1N1C[C@@H](O)C[C@H](O)C1 2223971671 BBDAVAZOLQEAQB-DRZSPHRISA-N 250.342 0.947 10 10 CCCE CNCc1cc(OC)ccc1N1CC[C@@H](C(=O)NC)C1 2235969875 JVBGHJDDNXYLEU-LLVKDONJSA-N 277.368 0.987 10 10 CCCE COc1cc(N)c(N2CC[C@H]2[C@H](O)CO)cc1OC 2270714878 YPRPILXDDXBXRG-GXSJLCMTSA-N 268.313 0.218 10 10 CCCE O[C@@H]1[C@H](O)CN(c2ccc(OCF)cc2)[C@H]1CF 2263942369 YHRDLZUPWLJBMX-TUAOUCFPSA-N 259.252 0.872 10 10 CCCE N=C(N)c1cnc(Sc2nnnn2CC(F)F)s1 2264134897 IDAUFZYSJDWCDK-UHFFFAOYSA-N 291.312 0.830 10 10 CCCE COc1ccc(N2CC[C@@](O)(C(N)=O)C2)c(C)c1C 2269183497 YZJCZFZJBKZSOX-AWEZNQCLSA-N 264.325 0.739 10 10 CCCE Nc1ccc(CC(=O)N[C@H]2CC[C@H](C(N)=O)CC2)cc1 2287864319 SWIQEXKSKJBZSE-AULYBMBSSA-N 275.352 0.972 10 10 CCCE Cc1nnccc1CNS(=O)(=O)Cc1ccc(N)cc1 2290085251 NCRVEVMJJRZGMW-UHFFFAOYSA-N 292.364 0.987 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CCOC[C@@H](F)C2)cc1 2336662149 DDVZRSWUQQMFCM-NSHDSACASA-N 288.344 0.769 10 10 CCCE CN(C(=O)CN1CC[C@@H](F)C1=O)c1ccc(N)cc1 2340172499 IUOXAABJRRIDKH-LLVKDONJSA-N 265.288 0.802 10 10 CCCE O=C(O)[C@@H]1[C@@H]2CC[C@@H](C2)N1C(=O)c1cc(O)nc(O)c1 2354067002 NVWZUZUAKSBJGC-ZYAQMDEOSA-N 278.264 0.571 10 10 CCCE CN[C@H]1CCc2cc(N3C[C@@H]4C[C@H]3[C@@H](O)[C@H]4O)ccc21 2356171924 DJTHASKROBJBSL-CUXOXCPVSA-N 274.364 0.824 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@H]2C[C@@H](CO)[C@H]2C1 2356975086 LZNIWEJCKUENAC-UTLUCORTSA-N 279.292 0.504 10 10 CCCE COc1ccc(O)c(CN[C@H](C)C(=O)N(C)C)c1 36793791 JTRZYGQUQWHBBL-SECBINFHSA-N 252.314 0.967 10 10 CCCE O=C(NCC1CCN(CCO)CC1)c1cccc(O)c1O 193140246 WMKLIOTXIZPUMC-UHFFFAOYSA-N 294.351 0.532 10 10 CCCE CN1C(=O)CC[C@H](NCc2ccc(O)cc2O)C1=O 90025588 LZGQPSJMDPBGJD-JTQLQIEISA-N 264.281 0.335 10 10 CCCE COc1ccc(CN2C[C@@H](CO)O[C@H](C)C2)c(O)c1 248958023 FZUFRIOEJWMUSE-MFKMUULPSA-N 267.325 0.982 10 10 CCCE COC1(CNC(=O)[C@@H](N)Cc2ccc(O)c(O)c2)CC1 2166592307 LYBPXYKQJGYQRD-JTQLQIEISA-N 280.324 0.263 10 10 CCCE CO[C@@H]1CN(c2ccc(CN)cc2Cl)C[C@H]1O 395935564 BTDDSZIKSMDVMA-VXGBXAGGSA-N 256.733 0.995 10 10 CCCE C[C@@H]1CN(C(=O)c2ccc(O)c(O)c2)[C@@H](C(=O)O)CO1 2165802870 JFRCIEFVCORZJY-VXNVDRBHSA-N 281.264 0.412 10 10 CCCE CC(=O)C(=O)COC(=O)CCCCc1cnn[nH]1 808537879 VHSNSZQQJHJRIE-UHFFFAOYSA-N 253.258 0.219 10 10 CCCE CONC(=O)CNC(=O)N[C@@H](C)c1ccccc1O 927220470 SHWSTBWTJGSSLG-QMMMGPOBSA-N 267.285 0.430 10 10 CCCE Oc1cc(F)ccc1CN[C@@H]1CCn2nnnc2C1 1875665812 DDLSJULNSDNCIJ-SNVBAGLBSA-N 263.276 0.622 10 10 CCCE C[C@H]1CN[C@H](C)CN1C(=O)COc1ccc(N)cc1 1876456319 NONORNBQPPELSV-MNOVXSKESA-N 263.341 0.856 10 10 CCCE NCCOCCCNS(=O)(=O)Cc1ccc(N)cc1 1876538734 RAWJZAFAGJPLJE-UHFFFAOYSA-N 287.385 0.054 10 10 CCCE COc1cc(N)c(N2C[C@H](N)[C@H](OC)C2)cc1OC 1876546261 QFYSMRONJREKNZ-TVQRCGJNSA-N 267.329 0.448 10 10 CCCE CSc1ncc(CNC[C@@H](N)CN(C)C)s1 2243844765 QARMNFQRHQMSQT-MRVPVSSYSA-N 260.432 0.844 10 10 CCCE C[C@H]1CN(c2cc3c(cc2N)OCC(=O)N3)CCO1 35452649 DMJMLZVITDKCHX-QMMMGPOBSA-N 263.297 0.825 10 10 CCCE C[C@@H](O)[C@H]1CN(C(=O)c2cccc(O)c2O)CCO1 1161587444 PQWHMBGXGJAKTI-LDYMZIIASA-N 267.281 0.320 10 10 CCCE Nc1ccc(CC(=O)N[C@@H]2CC[C@@H]3CNC[C@H]32)cc1 1963538292 KZVPPWIKYUMUNI-MRVWCRGKSA-N 259.353 0.926 10 10 CCCE O=C(C[C@H]1CCCC(=O)N1)NCc1c(O)cccc1O 1178911585 NRYOXVKVZNUNCH-SECBINFHSA-N 278.308 0.773 10 10 CCCE CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCCN=[N+]=[N-] 701337176 MITBVQBSZITSKW-SECBINFHSA-N 289.361 0.617 10 10 CCCE COC(CNC(=O)[C@@H](N)c1cc(C)ccc1O)OC 83497402 QWZBUTPZZBOEML-LBPRGKRZSA-N 268.313 0.436 10 10 CCCE Cc1ccc(O)c([C@H](N)c2nnc([C@@H](O)CO)o2)c1 83481000 AMAWMTNNNRWPOB-UWVGGRQHSA-N 265.269 0.157 10 10 CCCE O=C(O)CCNCc1ccc(N2CCNCC2)cc1 84846382 FXGNSNRPDWPSPH-UHFFFAOYSA-N 263.341 0.661 10 10 CCCE CN(CCCS(C)(=O)=O)c1ccc2c(c1)NC(=O)[C@H]2O 694161296 RHFBTTSJIDFWGK-LBPRGKRZSA-N 298.364 0.543 10 10 CCCE CS(=O)(=O)N1CCCN(c2ccc(CN)cc2)CC1 703167387 OVHBCUVBUHLKQU-UHFFFAOYSA-N 283.397 0.617 10 10 CCCE Cn1cc(C(=O)NCCc2ccc(N)cc2)nc1O 708450762 CKPCDXQEQMJHIS-UHFFFAOYSA-N 260.297 0.680 10 10 CCCE Nc1ccc(CC(=O)N2CCC[C@@H](CO)[C@H]2CO)cc1 709820699 UVLLLDAMNFOTTF-GXTWGEPZSA-N 278.352 0.403 10 10 CCCE CNCc1ccc(N2CCN(C)[C@@H](CO)C2)c(C)c1 687611589 FUOPTNVMIUPJIG-CQSZACIVSA-N 263.385 0.827 10 10 CCCE Nc1ccc(CC(=O)N2CC[C@H](c3nn[nH]n3)C2)cc1 720643872 GWCCMVOTRIRXHI-JTQLQIEISA-N 272.312 0.341 10 10 CCCE CN1C(=O)[C@H](O)c2ccc(N3CC4(COC4)C3)cc21 697079624 IYVZKMSNTASPNP-GFCCVEGCSA-N 260.293 0.533 10 10 CCCE C[C@H](N)COCC(=O)NCc1ccc(N(C)C)cc1 2117489591 LNWINWYNFGNBPQ-NSHDSACASA-N 265.357 0.733 10 10 CCCE O=C1Nc2cc(N3CCC34COC4)c(F)cc2[C@H]1O 2115224038 YILUKUMTOFIXQO-LLVKDONJSA-N 264.256 0.790 10 10 CCCE Nc1ccc(CCC(=O)NCc2nc(=O)o[nH]2)cc1 2116168362 OSLRRIZRGKVKOF-UHFFFAOYSA-N 262.269 0.194 10 10 CCCE CC[S@](=O)CCNC(=O)Cc1ccc(O)c(O)c1 1629132225 NQRMORWQMZBFRG-SFHVURJKSA-N 271.338 0.525 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCN(C(=O)[C@@H]2CCS2(=O)=O)C1 1912169388 JZFJPXMOTPPSAH-IUCAKERBSA-N 272.330 0.722 10 10 CCCE CN(C)S(=O)(=O)CCN1CCC[C@@H](CN=[N+]=[N-])C1 1912148362 SEPNTLIHKHEISG-JTQLQIEISA-N 275.378 0.900 10 10 CCCE Cn1cccc1C(=O)NC(=O)CN1CC[C@H](N=[N+]=[N-])C1 1912200731 KTVIKLWQJPUPDZ-VIFPVBQESA-N 276.300 0.666 10 10 CCCE C[C@@]1(CN)CCCN1C(=O)Cc1ccc(O)c(O)c1 2126300133 PLIDAEBYMFFEKL-AWEZNQCLSA-N 264.325 0.980 10 10 CCCE N[C@]12CC[C@@H]1CN(C(=O)c1cc(O)c(O)c(O)c1)C2 2132412287 BTLGHERISULSNS-OQPBUACISA-N 264.281 0.367 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCC[C@@H]2C[C@@H]21 1916909638 DVCGSSVDJCMIIL-WOPDTQHZSA-N 276.336 0.979 10 10 CCCE N[C@H](C(=O)NCCc1ccc(O)c(O)c1)C1CCC1 1968738892 HENWDRNZRINCKO-ZDUSSCGKSA-N 264.325 0.884 10 10 CCCE Nc1snnc1-c1nc(-c2cccnc2O)no1 1923220294 SWKDNZSNOVMBBA-UHFFFAOYSA-N 262.254 0.938 10 10 CCCE C[C@@H]1CS(=O)(=O)CCN1c1ccc2c(c1)NC(=O)[C@@H]2N 228763109 HBKQHMKZYZYEOV-PRHODGIISA-N 295.364 0.262 10 10 CCCE COc1cc(N2CCNNCC2)c([N+](=O)[O-])cc1OC 1968090076 ROLCSBCIQSGQGE-UHFFFAOYSA-N 282.300 0.526 10 10 CCCE COc1cc(N2CCCC2(CO)CO)ccc1CO 2139702463 KVQRSVYMLOYQAM-UHFFFAOYSA-N 267.325 0.511 10 10 CCCE CCNCc1ccc(N(C)CC(=O)NC)cc1OC 2139709029 AAHWKOMGIZHVGW-UHFFFAOYSA-N 265.357 0.987 10 10 CCCE COc1cc(N2CC(C(=O)N(C)C)C2)ccc1CO 2139700596 LRFFUIOQDIUMFZ-UHFFFAOYSA-N 264.325 0.712 10 10 CCCE COc1cc(N2C[C@H](O)[C@@H](N(C)C)C2)ccc1CN 2139704093 HHKTYHNHIUSAFS-STQMWFEESA-N 265.357 0.265 10 10 CCCE NC(=O)OCCNC(=O)[C@H]1CNc2ccccc2N1 229883841 UOBXQAIJMANHTI-SNVBAGLBSA-N 264.285 0.104 10 10 CCCE COc1cc(Cl)cc(CN2CC(O)(C(=O)O)C2)c1O 1968202980 VCXNRTDCMAYNIW-UHFFFAOYSA-N 287.699 0.686 10 10 CCCE CNCc1ccc(N2CC(S(C)(=O)=O)C2)cc1 1946912943 MFSDMMRLBVWHGV-UHFFFAOYSA-N 254.355 0.639 10 10 CCCE O=[N+]([O-])c1cc(CO)ccc1N1CC[C@@H](O)[C@@H](F)C1 1971582470 ZFMRJUAZZMFYMC-JOYOIKCWSA-N 270.260 0.996 10 10 CCCE C[C@H]1C[C@H](Nc2c(N)cccc2C(N)=O)CCS1(=O)=O 2143953554 KFLIPPOGDYIBGG-DTWKUNHWSA-N 297.380 0.745 10 10 CCCE CCN(Cc1nn[nH]n1)C(=O)Cc1ccc(O)c(O)c1 2144030051 LRLZUYZZTJZGCV-UHFFFAOYSA-N 277.284 0.202 10 10 CCCE N[C@H](CCCCNC(=O)c1cccc(O)c1O)C(=O)O 2151559669 WARIDQXILGRNQY-SECBINFHSA-N 282.296 0.410 10 10 CCCE CCC[C@H](N)C(=O)NCCc1ccc(O)c(O)c1 262538717 KPFKWZSMFOIKIE-JTQLQIEISA-N 252.314 0.884 10 10 CCCE COc1cc(N)c(N2CCOC[C@H]2CO)cc1OC 167945342 UDDVOGGNODKHGH-SECBINFHSA-N 268.313 0.484 10 10 CCCE Nc1ccc(CN2C(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2=O)cc1 2153250685 DFCYUOITPFBIBF-MPZDIEGVSA-N 272.304 0.931 10 10 CCCE NC/C=C/CNS(=O)(=O)Cc1ccc(N)cc1 2016965907 GQCBTRYIHWYTNI-OWOJBTEDSA-N 255.343 0.203 10 10 CCCE NCc1ccc(N2C[C@H](CO)C[C@@H]2CO)cc1Cl 2029382409 BRAUWYZZBUYINO-BXKDBHETSA-N 270.760 0.978 10 10 CCCE COC1(CO)CN(c2cc3c(cc2Cl)[C@@H](O)C(=O)N3)C1 2157307350 GZLFJFFEOLKUFY-LLVKDONJSA-N 298.726 0.523 10 10 CCCE C[C@@H](NC(=O)NCc1cc(N)ccc1O)C(=O)O 2039302286 JKISVMBAFXWNLH-ZCFIWIBFSA-N 253.258 0.247 10 10 CCCE COC1(CO)CN(c2ccc([C@@H](C)N)c(O)c2)C1 2039551266 DFIKJOZBBSEMIK-SECBINFHSA-N 252.314 0.609 10 10 CCCE OCc1ccc(N2C[C@H](O)[C@H]3COC[C@H]32)c(F)c1 2040593305 ODSIPMDREKLVIS-BIMULSAOSA-N 253.273 0.514 10 10 CCCE NCc1ccc(N2CCC[C@](O)(CO)C2)c(F)c1F 313656697 QKZNCNLNNQWVPL-CYBMUJFWSA-N 272.295 0.747 10 10 CCCE Cc1cc(=O)n(C(=O)CN(C)c2ccc(CN)cc2)o1 2161266840 OGWXAQAEOPSJIN-UHFFFAOYSA-N 275.308 0.985 10 10 CCCE CN(c1ccc(CN)cc1)[C@H]1CCN(CC(=O)O)C1=O 2162688312 CWPZOTSHYATLRE-LBPRGKRZSA-N 277.324 0.267 10 10 CCCE NC[C@H]1CC[C@H](NC(=O)c2cccc(O)c2O)C1 382335532 WJCNCMOAEDPOGD-IUCAKERBSA-N 250.298 0.955 10 10 CCCE Nc1cc2c(cc1N1CC3(COC3)C1)NC(=O)CO2 697147663 ZUBWYNURPYFWHL-UHFFFAOYSA-N 261.281 0.436 10 10 CCCE C[C@@H]1CN(c2c(F)cc(CN)cc2F)CC(=O)N1 387228276 IAGUDDRLDRBYJU-SSDOTTSWSA-N 255.268 0.748 10 10 CCCE CS(=O)(=O)C1(CNCc2ccc(O)cc2O)CC1 393677775 JRDHTDYNLPNAPF-UHFFFAOYSA-N 271.338 0.765 10 10 CCCE C[C@@H]1CC[C@@H](O)CN1S(=O)(=O)Cc1ccc(N)cc1 399229319 BIZODFSZVLYEPZ-ZWNOBZJWSA-N 284.381 0.944 10 10 CCCE Cc1cc(O)n2ncc(C(=O)N3C[C@@H](O)C[C@H]3C)c2n1 2064711887 CCARSNYBLMDJNB-BDAKNGLRSA-N 276.296 0.339 10 10 CCCE NC(=O)NCCCNC(=O)[C@@H]1CNc2ccccc2N1 2167862938 XKFZVFKIFCQETC-NSHDSACASA-N 277.328 0.067 10 10 CCCE COCC1(c2nc(-c3ccc(O)c(O)c3)no2)CNC1 2169140116 HAWQFYZBPXWVSR-UHFFFAOYSA-N 277.280 0.635 10 10 CCCE COc1cc(N2C[C@H](N)[C@@H](OC)C2)cc(OC)c1OC 2181947128 UEKNBUZFLDWXPU-GWCFXTLKSA-N 282.340 0.875 10 10 CCCE O=C(O)C[C@H](NC(=O)c1cc(O)c(O)c(O)c1)C(F)F 2188867485 BHWGVCZEAFWFOO-YFKPBYRVSA-N 291.206 0.642 10 10 CCCE O=C(NCC[C@]1(O)CCOC1)c1cc(O)c(O)c(O)c1 2188867866 IJXWMTZWUOSGDC-ZDUSSCGKSA-N 283.280 0.075 10 10 CCCE Nc1ccc(NC(=O)N2C[C@@H]3C[C@H](C2)[C@H](O)[C@H]3O)cc1 2182521146 UDMQSLQXFVQMGK-FQPOAREZSA-N 277.324 0.474 10 10 CCCE C[C@H](N)c1ccc(N2CCNC(=O)[C@@H]2C(N)=O)c(Cl)c1 2184136802 AIMPBZDEGRTYCR-CPCISQLKSA-N 296.758 0.150 10 10 CCCE [N-]=[N+]=NCCCN[C@@H](C(N)=O)[C@H]1C[C@H]2CC[C@H]1O2 2049160981 ZUPCLYUYBTYSLC-UTINFBMNSA-N 253.306 0.698 10 10 CCCE CNC[C@H]1CN(c2cc(OC)c(OC)cc2N)CCO1 2191564233 MFTNEPFOHGXNGE-JTQLQIEISA-N 281.356 0.711 10 10 CCCE C[C@@H](O)[C@H](NC(=O)c1cc(O)nc(O)c1)C1CC1 2059500172 LTBFTCQFDPOGCL-KBUNVGBDSA-N 252.270 0.382 10 10 CCCE O=C(N[C@@H]1CCOC[C@@H]1F)c1ccc(O)c(O)c1 2066714053 QRBSEAJNAPDACC-DTWKUNHWSA-N 255.245 0.955 10 10 CCCE CN(C(=O)c1cc(O)c(O)c(O)c1)C(C)(C)CO 2068577880 PQFMFWLCSPVMGH-UHFFFAOYSA-N 255.270 0.646 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3C[C@@H]4C[C@H]3CN4C)cc21 2187589345 XKYYMHNFJKXAQR-COPLHBTASA-N 272.352 0.556 10 10 CCCE CN(CCn1cc(C(=O)O)nn1)Cc1ccccc1O 2192590927 BBTGWQYIGBCVBS-UHFFFAOYSA-N 276.296 0.814 10 10 CCCE C[C@H](NC(=O)[C@@]12CNC[C@H]1COC2)c1ccccc1O 2192621950 IJTUXOYSNUUSTB-ZIBATOQPSA-N 276.336 0.805 10 10 CCCE Nc1ccc(OCCN2CC[C@H]3C[C@H]2[C@@H](O)[C@@H]3O)cc1 2199531280 JFHHPGQCFNMJMG-BSLXNSKLSA-N 278.352 0.464 10 10 CCCE CN1C[C@@H](O)[C@H](N(c2ccc(CN)cc2)C2CC2)C1 2100728186 UJZUXSWBDPHVFS-HUUCEWRRSA-N 261.369 0.789 10 10 CCCE COc1ccc(N2CC[C@H]3C(=O)NC[C@H]3C2)c(N)c1 2100944444 NJUUSPLIWARDPZ-GXSJLCMTSA-N 261.325 0.850 10 10 CCCE CCN1C[C@H](O)[C@@H](NCc2ccc3c(c2)CCO3)C1 2104273107 DDPQSYGCRZNXKU-KBPBESRZSA-N 262.353 0.776 10 10 CCCE COc1cccc(O)c1CN1CCO[C@@H]2CNC[C@H]21 2104436760 BPLALCOEMSXBFK-BXUZGUMPSA-N 264.325 0.573 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCN(S(=O)(=O)N2CCC[C@@H]2CO)C1 2105535638 AVXHWZMUFPDYPR-VHSXEESVSA-N 289.361 0.320 10 10 CCCE Cn1cnc(CNS(=O)(=O)Cc2ccc(N)cc2)c1 2088033909 PSWNOQVXTOZCDU-UHFFFAOYSA-N 280.353 0.622 10 10 CCCE NCc1ccc(N2CCCC2(CO)CO)c(F)c1F 2089908348 SAVBJIQQIPPOBT-UHFFFAOYSA-N 272.295 0.747 10 10 CCCE O=C(NC1([C@H]2CCNC2)CC1)c1cc(O)nc(O)c1 2090172052 WTVCHVFOVBOHIZ-VIFPVBQESA-N 263.297 0.365 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CCCCC12CNC2 2093501036 HPZPBZOWCIGEBJ-UHFFFAOYSA-N 263.297 0.461 10 10 CCCE CCCN(c1ccc(N)cc1)[C@@H]1CS(=O)(=O)C[C@@H]1O 2099396113 DRMIYIBXXDCGFJ-OLZOCXBDSA-N 284.381 0.643 10 10 CCCE COC(=O)[C@](C)(CS(=O)(=O)C(C)C)NCCN=[N+]=[N-] 2114142185 IBFVGSBZEKFZEE-JTQLQIEISA-N 292.361 0.641 10 10 CCCE C[C@H](c1cc(O)ccc1O)N1C[C@H](O)C[C@@H](C(=O)O)C1 2201052660 ZTYOCQHNABGZBP-FXPVBKGRSA-N 281.308 0.926 10 10 CCCE COCC1(O)CN(c2ccc(OC)cc2OC)C1 2219643372 RBSXQHSQPNPTSK-UHFFFAOYSA-N 253.298 0.901 10 10 CCCE COc1ccc(N2CC(OCCO)C2)c(CO)c1 2220427629 JSRULKOOMYNMKQ-UHFFFAOYSA-N 253.298 0.385 10 10 CCCE O=C(N[C@H]1CCn2cnnc2C1)c1ccc(O)c(O)c1 2236557980 XCMLWCHJRJTHOD-VIFPVBQESA-N 274.280 0.434 10 10 CCCE Cc1ccc(N(C)C(=O)c2c[nH]nc2CCN)cn1 2227039116 WDZIYEQAXJYCMV-UHFFFAOYSA-N 259.313 0.891 10 10 CCCE COc1ccc(N2CC(CS(C)(=O)=O)C2)c(C=O)c1 2227693468 XFNWZASRTWMPAB-UHFFFAOYSA-N 283.349 0.989 10 10 CCCE C[C@@H](NCC1(O)CS(=O)(=O)C1)c1ccc(N(C)C)cc1 2283094134 YLAMFUCINJDJJF-LLVKDONJSA-N 298.408 0.563 10 10 CCCE CC1(C)C(=O)NC[C@H]1NCc1cccc(O)c1O 2255124277 ZRJYABMKQLYOPH-SNVBAGLBSA-N 250.298 0.712 10 10 CCCE [N-]=[N+]=NCCCNC1(C(N)=O)C[C@H]2CSC[C@@H](C1)N2 2270349803 OFOMIBKRWXPOQQ-SLHIUPAKSA-N 284.389 0.368 10 10 CCCE COc1cc(C)c(N2CC[C@@](O)(C(N)=O)C2)c(C)c1 2269600441 NOTQOTJTIFYCNP-AWEZNQCLSA-N 264.325 0.739 10 10 CCCE Nc1ccc(OCCN2C(=O)[C@H]3CC[C@@H]3S2(=O)=O)cc1 2283144905 QSKWXBBLVQHJAY-RYUDHWBXSA-N 296.348 0.598 10 10 CCCE CN(C)C(=O)N1CC[C@H](NCc2cccc(O)c2O)C1 2288763963 RKHVCBZYIPZJKD-NSHDSACASA-N 279.340 0.943 10 10 CCCE CSc1ncc(C=C2C(=O)NC(=O)N(C)C2=O)cn1 2297624704 FIEIAFICELKSOR-UHFFFAOYSA-N 278.293 0.290 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CCOC[C@@H](F)C1 2315058122 VDKHQRVAVLCYND-VIFPVBQESA-N 255.245 0.908 10 10 CCCE CCN(CCN=[N+]=[N-])C(=O)c1ccc(=O)n(C)n1 2315990706 PAPHCCLZFIIXNM-UHFFFAOYSA-N 250.262 0.553 10 10 CCCE O=C(OCCO)N1CCc2cc(O)c(O)cc2C1 2318629976 RKYYLNKRRNQLMA-UHFFFAOYSA-N 253.254 0.585 10 10 CCCE Nc1ccc(O)c(CN2CC[C@@H]3C[C@H]2[C@@H](O)[C@@H]3O)c1 2332599655 SZPUGPIFKRVZFU-MGNUUCGSSA-N 264.325 0.290 10 10 CCCE CN[C@H](C)c1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CF)cc1 2333235525 LEERSPXPQCQOJM-PCDDKUFXSA-N 268.332 0.847 10 10 CCCE COC[C@H]1[C@@H](O)[C@@H](O)CN1c1ccc(OC)c(C)c1 2333694265 YWYVSKJHUGKMPY-SGMGOOAPSA-N 267.325 0.560 10 10 CCCE Cc1cccc(CN2C(=O)[C@H]3COC[C@@H]3C2=O)c1O 2338356034 UJXPPZKEBZROKF-QWRGUYRKSA-N 261.277 0.832 10 10 CCCE O=C(NCCCOC1CCNCC1)c1cc(O)nc(O)c1 111790421 QKXAROUBPSGHAQ-UHFFFAOYSA-N 295.339 0.381 10 10 CCCE COC(=O)[C@H](CO)NC(=O)/C=C/c1ccc(N(C)C)cc1 35219618 IHEJGVLVZYGKNF-PPGNKHEKSA-N 292.335 0.416 10 10 CCCE CCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1)C(=O)O 40483105 LZBVXCQYBBYMHI-UWVGGRQHSA-N 296.323 0.337 10 10 CCCE C[C@H](N[C@H]1CCC(=O)NC1=O)c1ccc(O)cc1O 89754212 SUYLVKDOBWDTDC-XVKPBYJWSA-N 264.281 0.554 10 10 CCCE CNC(=O)[C@@H]1CCCN1C[C@H](O)COc1ccc(N)cc1 42391138 DZINTUPQCAUVRU-JSGCOSHPSA-N 293.367 0.219 10 10 CCCE CNCC[C@@]1(O)CN(C)c2cc3c(cc21)OCCO3 527415494 JBGZEIZGRDBETL-CQSZACIVSA-N 264.325 0.705 10 10 CCCE CN(C)c1ccc(CN2CC[C@@H]3OCC(=O)N[C@H]3C2)cc1 366764788 HUPHYFOZRHSLEX-GJZGRUSLSA-N 289.379 0.842 10 10 CCCE Nc1ccc(OCC(=O)NCC[C@@H]2COC[C@H]2O)cc1 2167636286 SLYSGAJRNSKNQF-ZWNOBZJWSA-N 280.324 0.161 10 10 CCCE CO[C@@H]1C[C@H](O)CN(C(=O)COc2ccc(N)cc2)C1 2165322491 KWACNMMQQAZDFO-WCQYABFASA-N 280.324 0.256 10 10 CCCE O=C1Nc2cc(N3C[C@@H]4CC[C@H](C3)C4O)ccc2[C@H]1O 2167776189 DOULJFXADJUEEO-OQPZNMJESA-N 274.320 0.879 10 10 CCCE Nc1ccc(OC[C@H](O)CN2CCS[C@@H](CO)C2)cc1 719994407 RAHUZVGRBVEJHP-TZMCWYRMSA-N 298.408 0.418 10 10 CCCE C[C@H](CC(=O)NCCc1ccc(O)c(O)c1)NC(N)=O 847589849 OEGCOFDWXFDBLU-MRVPVSSYSA-N 281.312 0.203 10 10 CCCE Cn1cc(CNCc2cc([N+](=O)[O-])ccc2O)nn1 742369175 XTVSSSCFVKNGLU-UHFFFAOYSA-N 263.257 0.719 10 10 CCCE COc1ccc(O)c(CNC(=O)C[C@H](C)NC(N)=O)c1 847590666 DBGWASIFLXXUBH-QMMMGPOBSA-N 281.312 0.464 10 10 CCCE CC[C@H](NCc1ccc(O)c(O)c1O)C(=O)NC 697872024 QXZIBNOZBYQZEV-QMMMGPOBSA-N 254.286 0.418 10 10 CCCE CNCc1ccc(N2C[C@@H](O)C[C@@H]2CO)c(Cl)c1 698173358 DROPVOFYLLEACR-MNOVXSKESA-N 270.760 0.991 10 10 CCCE C[C@@](O)(CO)CNCc1ccc(Br)cc1O 691461542 IZFSQOPGTZZBIR-NSHDSACASA-N 290.157 0.988 10 10 CCCE CN(C)c1ccc(CNCC2CN(C(N)=O)C2)cc1 1875453861 NBIBFYVIQFMBRR-UHFFFAOYSA-N 262.357 0.853 10 10 CCCE NC(=O)CCCCC(=O)NCCc1ccc(O)c(O)c1 779816934 YPXVIOJGQPNANC-UHFFFAOYSA-N 280.324 0.802 10 10 CCCE CN(C)C(=O)/C=C\C(=O)N(C)Cc1ccccc1O 1149871207 AFPNOLXEOHPNPY-HJWRWDBZSA-N 262.309 0.995 10 10 CCCE C[C@H]1CN(Cc2cc3c(cc2O)OC[C@@H]3O)CC(=O)N1C 799954919 AHOCQBUMFRBERU-ZANVPECISA-N 292.335 0.481 10 10 CCCE Cc1ccnc2nc(C(=O)NCc3c(O)cccc3O)nn12 1156881179 SYGGGQZSTQLKOW-UHFFFAOYSA-N 299.290 0.774 10 10 CCCE Cc1ccc([C@H](N)c2nnc(CC(=O)O)o2)c(O)c1 83458167 BYLGRMUHZQECKZ-NSHDSACASA-N 263.253 0.759 10 10 CCCE CC(=O)N1CCC[C@H]1C(=O)NCc1cc(N)ccc1O 708846894 BFEFUDCKAMKUBD-LBPRGKRZSA-N 277.324 0.602 10 10 CCCE C[C@H](O)c1ccc(N2C[C@H](O)C[C@]2(C)CO)cc1O 698158141 RMWSVDOVRFFKGG-DRCTWCGVSA-N 267.325 0.768 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN1C(=O)[C@@H]1[C@@H]2CS(=O)(=O)C[C@@H]21 2117937181 YOGBNCJYLBBDHW-DOLQZWNJSA-N 284.341 0.578 10 10 CCCE O=C(CCN1C(=O)CSC1=S)NCCc1cnc[nH]1 1865765417 DGIVEQKHCTXOAN-UHFFFAOYSA-N 298.393 0.319 10 10 CCCE Cn1ncc(CCC(=O)NCc2c(O)cccc2O)n1 1635847959 XUTFHLDARCYFAR-UHFFFAOYSA-N 276.296 0.475 10 10 CCCE C[C@H](O)C[C@@H]1COCCN1C(=O)Cc1ccc(O)c(O)c1 1567413734 DLPCBVFDLWAENY-CMPLNLGQSA-N 295.335 0.639 10 10 CCCE CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@@H](N=[N+]=[N-])C1 1912170579 YXAVJHPFOXQNQF-RKDXNWHRSA-N 268.321 0.995 10 10 CCCE CN(CCN=[N+]=[N-])C(=O)[C@H]1CCCCS1(=O)=O 1912162585 XRHUUBDKVWFICO-MRVPVSSYSA-N 260.319 0.722 10 10 CCCE CO[C@@H]1CS(=O)(=O)C[C@H]1N1CCC[C@H](CN=[N+]=[N-])C1 1912184455 FKPPYLGFWYTYOH-GMTAPVOTSA-N 288.373 0.821 10 10 CCCE C[C@@H](C(=O)NC(N)=O)N1CCCC[C@@H](CN=[N+]=[N-])C1 1912198615 IXQGWFUVIPAVHI-IUCAKERBSA-N 268.321 0.982 10 10 CCCE CN(CCN=[N+]=[N-])C(=O)c1c(Br)nnn1C 1912205132 MZXZWTSLXTZKSW-UHFFFAOYSA-N 288.109 0.960 10 10 CCCE CC(F)(F)[C@H](NC(=O)c1cccc(O)c1O)C(=O)O 2128396809 KUIOLJBYBOQOGF-MRVPVSSYSA-N 275.207 0.936 10 10 CCCE CO[C@@H]1C[C@@H]1CN(CC(N)=O)Cc1ccc(N)cc1 2131633185 DJDQMYLTZGCMHK-DGCLKSJQSA-N 263.341 0.591 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CC2(CCNC2)C1 2132408603 YACLUPKCDVSSMB-UHFFFAOYSA-N 264.281 0.239 10 10 CCCE CON1CCN(C(=O)CCc2ccc(N)cc2)CC1 1915579751 RXWPDIIJBMWBKH-UHFFFAOYSA-N 263.341 0.907 10 10 CCCE COc1cccc(O)c1CN1C[C@@H](O)C[C@@H]1C(=O)O 2136109411 NBUYSCRSYYKQNU-WCBMZHEXSA-N 267.281 0.421 10 10 CCCE Cc1cccc(CNC(=O)[C@@H]2CCOC[C@H]2N)c1O 2139760461 AAXSQDZFXWYGKB-VXGBXAGGSA-N 264.325 0.681 10 10 CCCE Cc1cccc(CNC(=O)CN2CCOCC2)c1O 2139750988 OMXAYUKYBDUUCJ-UHFFFAOYSA-N 264.325 0.649 10 10 CCCE COc1ccc(N2C[C@@H](O)CC23CNC3)c(F)c1F 2136991356 OIZMDWGVBQTXGW-QMMMGPOBSA-N 270.279 0.886 10 10 CCCE Nc1ccc(OCC(=O)N[C@H]2CCC[C@@H]2CO)cc1 231228722 HEINCGOSNMCZOR-MFKMUULPSA-N 264.325 0.925 10 10 CCCE CN(c1cc2c(cc1N)OCC(=O)N2)C(C)(C)CO 125797238 PCRMZDQSZPJFBL-UHFFFAOYSA-N 265.313 0.807 10 10 CCCE CO[C@H]1CN(C)C[C@@H]1NCc1cc2c(cc1O)OCO2 2151798690 ZEJYGLMIXQGHQR-HZMBPMFUSA-N 280.324 0.540 10 10 CCCE Nc1ccc(OC[C@H](O)CN2C[C@H](O)C(F)(F)C2)cc1 2152098161 JWWWWGFCZFENMH-PWSUYJOCSA-N 288.294 0.320 10 10 CCCE CN(C)[C@@H]1CN(C(=O)CCc2ccc(N)cc2)C[C@@H]1O 2146156099 PZJGQXWJEPHFHF-KGLIPLIRSA-N 277.368 0.335 10 10 CCCE C[C@@H]1CCN(c2ccc3c(c2)NC(=O)[C@H]3N)[C@@H]1C(N)=O 2146447940 SLZILSONCBLGNX-MKCWBWRRSA-N 274.324 0.339 10 10 CCCE CO[C@H]1CN[C@H](C(=O)N(C)Cc2ccccc2O)C1 40636500 KSBGSXXQYZDDTQ-NEPJUHHUSA-N 264.325 0.728 10 10 CCCE C[C@@H]1OCCO[C@H]1C(=O)NCc1ccc(N)cc1 2027174966 FQXJJWCMDLRQOV-JOYOIKCWSA-N 250.298 0.689 10 10 CCCE C[C@H](N[C@@H]1CN(C)C[C@@H]1O)c1c(O)cccc1O 2029867570 QSNQBKJHGQSVOT-SBMIAAHKSA-N 252.314 0.423 10 10 CCCE O=C1Nc2cc(N3CCC(F)(CO)CC3)ccc2[C@@H]1O 2157515041 SNVOPEFZPKOOFG-LBPRGKRZSA-N 280.299 0.973 10 10 CCCE NN[C@H](c1ccccc1O)[C@@H]1CO[C@H]2COC[C@H]21 2040328969 GUZFMWKQDFVDLC-JULQROHOSA-N 250.298 0.558 10 10 CCCE CCn1cc(CNC(=O)COc2ccc(N)cc2)nn1 404445319 DQPMPARRACPJLS-UHFFFAOYSA-N 275.312 0.575 10 10 CCCE CN=c1cc(-c2ccn(C)c(=O)c2)c2nc(C)cn2[nH]1 2158759339 DBMSUJPJHDQHIK-UHFFFAOYSA-N 269.308 0.867 10 10 CCCE C[C@H](N)c1ccc(N2C[C@@H](O)[C@H](CO)C2)cc1O 316438082 QQRBEEMZLGSYEZ-MWODSPESSA-N 252.314 0.201 10 10 CCCE N[C@H](CNC(=O)c1cccc(O)c1O)C1CCC1 316602244 PMKAOZYMPJCMEB-SNVBAGLBSA-N 250.298 0.955 10 10 CCCE NCc1cccnc1NC(=O)c1cc(O)nc(O)c1 322681536 IHDAWURTKFCNEX-UHFFFAOYSA-N 260.253 0.599 10 10 CCCE C[C@H]1OCCN[C@H]1C(=O)NCc1ccccc1O 328209962 IJOBTYXZDNAYME-BXKDBHETSA-N 250.298 0.385 10 10 CCCE O=C(NC[C@H]1C[C@@H]2CC[C@H](C1)N2)c1cc(O)nc(O)c1 2159693651 QBRBHELGJCJYKM-UIKWRGBMSA-N 277.324 0.753 10 10 CCCE OC[C@@H]1C[C@H](O)CN1c1ccc(CNC2CC2)cc1 704725894 CLOMRWTXDXUHRM-GJZGRUSLSA-N 262.353 0.871 10 10 CCCE C[C@H]1[C@H]2CC[C@@H](C[C@@]1(NCCN=[N+]=[N-])C(=O)O)N2 686156625 OKBJQISCLYJQIA-CKEKPRIKSA-N 253.306 0.870 10 10 CCCE CO[C@H](C)[C@@H](CC(=O)O)NC(=O)c1cccc(O)c1O 2165777600 HYVWVCYIBIHEMW-VXNVDRBHSA-N 283.280 0.706 10 10 CCCE C[C@H](NC(=O)Cc1ccc(N)cc1)c1nc(O)n[nH]1 392327484 SEUOQSKLAWIDBR-ZETCQYMHSA-N 261.285 0.512 10 10 CCCE CN(C)c1ccc([C@@H](CN)N2CC(N(C)C)C2)cc1 394421377 HQIPLXZWGKOAMH-OAHLLOKOSA-N 262.401 0.998 10 10 CCCE CC(C)C1(O)CN(c2ccc3c(c2)NC(=O)[C@H]3N)C1 395005295 HMTGPQKUVNCDBD-LBPRGKRZSA-N 261.325 0.846 10 10 CCCE CCN(C)C1CN(C[C@@H](O)COc2ccc(N)cc2)C1 2169445459 FXKIRPYFQXHWCJ-CQSZACIVSA-N 279.384 0.644 10 10 CCCE O=C(N[C@@]1(C(=O)O)CCCOC1)c1cccc(O)c1O 2169557881 JOCDYKIFEJYJPU-ZDUSSCGKSA-N 281.264 0.461 10 10 CCCE C[C@H]1[C@H](O)CN1c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 2182523505 NCJOHVGBYSDPRR-QUBYGPBYSA-N 279.252 0.495 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCC1(F)CCC1 2177815981 QHPGIFIBKHTUPZ-JTQLQIEISA-N 282.315 0.976 10 10 CCCE NCc1ccc(N2C[C@@H]3OC[C@@H](CO)[C@@H]3C2)c(F)c1F 2178085530 FWRJBTUZDFMHEC-SCVCMEIPSA-N 284.306 0.867 10 10 CCCE CC1(C)[C@@H](O)[C@H](O)CN1c1ccc(CO)cc1[N+](=O)[O-] 2181217227 UDQQGDFSYNCFOZ-NEPJUHHUSA-N 282.296 0.408 10 10 CCCE NC(=O)CN(Cc1ccc(N)cc1)C[C@@H]1OCC[C@H]1F 2179078243 GAFHKFVQQITONO-OLZOCXBDSA-N 281.331 0.683 10 10 CCCE O=C(c1cccc(O)c1O)N1C[C@H]2C[C@H](O)[C@H](O)[C@H]1C2 2173342092 ASSMESJVFDQDTA-JOSRPRKISA-N 279.292 0.054 10 10 CCCE CC1(C)[C@@H](O)C[C@@]1(CO)NC(=O)Cc1ccc(N)cc1 2193964534 AJEAJCTVBJASAV-WFASDCNBSA-N 278.352 0.449 10 10 CCCE C[C@H](O)c1ccc(N2CC3(C2)OC[C@H](O)[C@H]3O)c(F)c1 2183637431 BVXGQGCHAAXXGP-AQUOVQTQSA-N 283.299 0.190 10 10 CCCE CC[C@@H]1C(=O)NC(=O)CN1c1ccc2c(c1)CC[C@H]2O 2184729269 HKOXPZNIPRLYPK-CHWSQXEVSA-N 274.320 0.908 10 10 CCCE CN[C@@H]1CCc2cc(N3C[C@H]4C[C@H]3[C@H](O)[C@@H]4O)ccc21 2184710335 DJTHASKROBJBSL-IRHMCKRBSA-N 274.364 0.824 10 10 CCCE NC(=O)CO[C@@H]1CCN(c2ccc3c(c2)CC[C@@H]3N)C1 2184740392 SLVUXQHELHARME-OCCSQVGLSA-N 275.352 0.713 10 10 CCCE CN1CC[C@@H](CCNCc2ccc(O)c(O)c2O)C1=O 2194702082 KOKNPNSXLYBWJT-SECBINFHSA-N 280.324 0.761 10 10 CCCE CN(C)C(=O)C1(NCc2cccc(O)c2O)CC1 2041821178 ISLXFRBFJRVXKS-UHFFFAOYSA-N 250.298 0.808 10 10 CCCE C[C@@H]1C[C@@H](CNC(=O)c2ccc(O)c(O)c2)CN1 2042393182 HIWUSAPLPSYTIQ-RKDXNWHRSA-N 250.298 0.826 10 10 CCCE O=C(C[C@]1(O)CCNC1)NCc1ccccc1O 2042697737 NUPZFDWFYQFKME-CYBMUJFWSA-N 250.298 0.123 10 10 CCCE COc1cc(Cl)cc(CN2C[C@H](O)CC23CNC3)c1O 2186615598 POKNDTDZICHVNP-LLVKDONJSA-N 298.770 0.963 10 10 CCCE C[C@@H](C(=O)Nc1ccc(N)cc1)N1C[C@@H](O)CO1 2052293685 AXVOKUGHPZHDMI-GZMMTYOYSA-N 251.286 0.204 10 10 CCCE NC(=O)[C@H]1CCC[C@H]1NCc1cccc(O)c1O 2053790311 WYQFLCIBHHFWCM-VHSXEESVSA-N 250.298 0.841 10 10 CCCE CN(Cc1ccccc1O)C[C@H](O)Cn1cc(N)cn1 2192569939 LKXOQCXQRLFRBU-ZDUSSCGKSA-N 276.340 0.664 10 10 CCCE COc1ccc(CN[C@H]2COC[C@@H]2OC)c(O)c1 2057145596 KWUINZBGFQRLDC-AAEUAGOBSA-N 253.298 0.904 10 10 CCCE C[C@H]1C[C@]1(N)C(=O)NCCc1ccc(O)c(O)c1 2058270641 QVLCYYDXDLPDPH-ISVAXAHUSA-N 250.298 0.494 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CCO[C@@H]3COC[C@@H]32)cc1 2192656858 MCNLWCIGRPXMHD-QWHCGFSZSA-N 298.364 0.198 10 10 CCCE NC[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)C1CC1 2068614732 IFUOYWBUJHFRMO-MRVPVSSYSA-N 252.270 0.271 10 10 CCCE N[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)C[C@@H]1C1CC1 2188929633 PXDPJLFGFSKBCZ-NXEZZACHSA-N 278.308 0.613 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@H]2COC[C@H]2F)cc1 2071572255 SFSKARCFRWRCSU-GHMZBOCLSA-N 274.317 0.425 10 10 CCCE O=C(O)[C@@]1(O)CCN(Cc2ccc(O)cc2O)C1 2076876862 HCJTUGZFQHMKKQ-GFCCVEGCSA-N 253.254 0.119 10 10 CCCE CCN1CCc2cc([C@H](NN)c3cnn[nH]3)ccc21 2106852244 CYHXPRHLHDSJDW-ZDUSSCGKSA-N 258.329 0.740 10 10 CCCE CN(C)c1ccc([C@H](CCn2cnnn2)NN)cc1 2106827789 GXQAYJQRCCHRQW-LBPRGKRZSA-N 261.333 0.334 10 10 CCCE Nc1ccc(CC(=O)N2C[C@H]3C(C(=O)O)[C@@H]3C2)cc1 2087318557 WLWKXTYTRWZQEP-GHMZBOCLSA-N 260.293 0.600 10 10 CCCE Nc1ccc(NC(=O)CN2CC=CCS2(=O)=O)cc1 2109572838 HNMLYZBEJKKHQO-UHFFFAOYSA-N 281.337 0.409 10 10 CCCE CCCN[C@@H](C)CN(C)C(=O)c1cc(O)nc(O)c1 2092928954 SDCJUBLDBXNZDS-VIFPVBQESA-N 267.329 0.953 10 10 CCCE CO[C@H]1CN(C)C[C@H]1NC(=O)Nc1ccc(N)cc1 2095440946 BYZHIHXGHGLTKD-NEPJUHHUSA-N 264.329 0.719 10 10 CCCE CN1C(=O)[C@@H](O)c2ccc(N3C[C@@H](O)C34CCC4)cc21 2201411054 ZGTUUJBDYDEJQC-OLZOCXBDSA-N 274.320 0.800 10 10 CCCE COC1(CF)CN(c2ccc3c(c2)NC(=O)[C@@H]3O)C1 2112412980 LMZDQOLMTVJYOO-LLVKDONJSA-N 266.272 0.847 10 10 CCCE CCN(C)C1CN(C(=O)COc2ccc(N)cc2)C1 2113148142 PIYLECITMZQMCU-UHFFFAOYSA-N 263.341 0.810 10 10 CCCE Nc1ccc(O)c(CN2CCN3C(=O)OC[C@@H]3C2)c1 2114276809 JHCIEIQETGHVTP-NSHDSACASA-N 263.297 0.611 10 10 CCCE COc1cc(N2C[C@@H](CO)OCC23CC3)ccc1CN 2204544563 CRLLYCNYIAKXTP-ZDUSSCGKSA-N 278.352 0.884 10 10 CCCE C[C@@H](N)c1cc(F)c(N2CC[C@H]2[C@H](O)CO)c(F)c1 2270692980 CNXBZHSESHLQHT-VSYUYLJXSA-N 272.295 0.916 10 10 CCCE Cc1cc([C@H](C)O)ccc1N1CC[C@@](O)(C(N)=O)C1 2232095543 GHFLEYKAUSYCGN-HZMBPMFUSA-N 264.325 0.475 10 10 CCCE CN1CCc2cc(N3C[C@@H]4C[C@H](C3)[C@@H](O)[C@@H]4O)ccc21 2235127448 SHCZGKYTVCDGRJ-NOXHYTERSA-N 274.364 0.857 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN1C(=O)[C@@H]1CC[C@@H](C(=O)O)O1 2225792042 JOQIIENRQSCBLB-VGMNWLOBSA-N 268.273 0.920 10 10 CCCE COc1ccc(N2CCC[C@H](C(N)=O)C2)c(CN)c1 2227674664 XCXJIXPOYIXTQT-JTQLQIEISA-N 263.341 0.856 10 10 CCCE COc1ccc(N2CCN(CCO)CC2)c(CO)c1 2227708822 MPUYGAASIPXHPU-UHFFFAOYSA-N 266.341 0.302 10 10 CCCE CCN(c1ccc(OC)cc1CO)[C@H]1CCNC1=O 2227710566 GXALDNFVTAVRIP-ZDUSSCGKSA-N 264.325 0.902 10 10 CCCE Cc1cc(N2CC[C@](O)(CO)C2)ccc1[C@H](C)N 2257455970 BHZOAWCYNICCKO-SMDDNHRTSA-N 250.342 0.948 10 10 CCCE OCc1cc(F)c(N2CC[C@@H]2[C@H](O)CO)c(F)c1 2258328646 DYYPZCBVGDOAFO-GHMZBOCLSA-N 259.252 0.389 10 10 CCCE COc1cc(OC)c(N2C[C@H](O)C[C@@H]2CO)c(OC)c1 2287131827 WOTBOZUZGGKUCY-NXEZZACHSA-N 283.324 0.644 10 10 CCCE N[C@H]1CC[C@@H]2CN(C(=O)c3cccc(O)c3O)C[C@H]12 2328657511 ZKTVODRITRVRRJ-MIMYLULJSA-N 262.309 0.907 10 10 CCCE Cc1cc(N2C[C@@H]3C[C@H]2[C@H](O)[C@@H]3O)ccc1[C@@H](C)N 2334468027 JNOIHLOJLIWOKU-BMKCNNPASA-N 262.353 0.945 10 10 CCCE CCn1cnc(Cn2ccc3c(c2=O)CNCC3)n1 2341890401 IDUNFEGJOYGJJS-UHFFFAOYSA-N 259.313 0.154 10 10 CCCE C[C@@H]1C[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 52289164 GRXHEAHGESRJFO-JEZHCXPESA-N 250.298 0.492 10 10 CCCE O=C(O)[C@@H](Cc1c[nH]cn1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 101335100 SZIOWUAFQDAWSY-GARJFASQSA-N 289.291 0.357 10 10 CCCE NS(=O)(=O)CCNCc1c(O)cccc1Cl 127253115 IADCBCVJKNXSPG-UHFFFAOYSA-N 264.734 0.424 10 10 CCCE NCCc1cc(O)c(O)c(SC[C@@H](N)C(=O)O)c1 38778614 BZYHBWCVRKSWDB-SSDOTTSWSA-N 272.326 0.103 10 10 CCCE in-vitro Cn1ncc2c(=O)n(CC(=O)Nc3ccc(N)cc3)cnc21 316823288 JLOSDTDSLLAYDT-UHFFFAOYSA-N 298.306 0.351 10 10 CCCE CN(C)c1ccc2c(c1)OCCN2[C@H]1CCNC1=O 179306629 DPBPEWCSKAXOFC-LBPRGKRZSA-N 261.325 0.840 10 10 CCCE COCCN1CCN(C(=O)c2cccc(O)c2O)C[C@H]1C 193075510 PQEPVGDJZZBKNT-LLVKDONJSA-N 294.351 0.891 10 10 CCCE CC[S@](=O)CCNC(=O)[C@H]1CNc2ccccc2N1 229885181 HJPSIAHHCGOLBO-BLVKFPJESA-N 281.381 0.777 10 10 CCCE CC(=O)N(C(=O)CCS(C)(=O)=O)c1ccc(N)cc1 243280432 LADZFTYVPJRKDD-UHFFFAOYSA-N 284.337 0.583 10 10 CCCE C[C@@]1(C(=O)O)C[C@H]1C(=O)NCCOc1ccc(N)cc1 713564976 AYNSOCZXQFQEIT-SMDDNHRTSA-N 278.308 0.875 10 10 CCCE C[C@H](N[C@@H]1C[C@H](O)[C@@H](O)[C@@H]1O)c1ccc(N(C)C)cc1 2165104218 LFBIRWDSHHSKHT-KGKICYMHSA-N 280.368 0.258 10 10 CCCE CO[C@@H]1CN(C(=O)Nc2ccc(N)cc2)C[C@H]1O 396142368 RCFGASVAWGVXQV-GHMZBOCLSA-N 251.286 0.492 10 10 CCCE CCNC(=O)C1CN(CC(=O)c2ccc(O)c(O)c2)C1 2168047664 MRTUQPKDAQCICY-UHFFFAOYSA-N 278.308 0.348 10 10 CCCE CSc1ncc(CNC(=O)[C@H](N)[C@H](C)O)s1 2243773539 OWRNGTCDXVDQAT-CAHLUQPWSA-N 261.372 0.189 10 10 CCCE CNC(=O)[C@@H]1CCCN1C(=O)c1cc(O)cs1 735523495 WZLRSVMARDXAAN-QMMMGPOBSA-N 254.311 0.804 10 10 CCCE Nc1ccc(NC(=O)N[C@H]2CCNC[C@@H]2CO)cc1 1876152495 GWJNNMJYBYKWTM-SKDRFNHKSA-N 264.329 0.361 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@H](N)C3(CC3)C2)cc1 1876538913 UCNCQBCZZPRNOJ-LBPRGKRZSA-N 281.381 0.522 10 10 CCCE COCCNC(=O)CCNC(=O)Cc1ccc(N)cc1 135261028 SSFVZCXKYJSXKY-UHFFFAOYSA-N 279.340 0.080 10 10 CCCE N[C@H](C(=O)NCc1ncc[nH]1)c1ccc(O)c(O)c1 83452188 BJIVZQXSWCZVIE-NSHDSACASA-N 262.269 0.137 10 10 CCCE O=C(O)[C@@H](c1cc(F)ccc1O)N1C(=O)CCC1=O 83494005 WFWXDTJVYWSBEZ-LLVKDONJSA-N 267.212 0.806 10 10 CCCE CCOCCCNC(=O)[C@@H](N)c1ccc(O)cc1O 83497303 GBUQXMUHJFGWKZ-LBPRGKRZSA-N 268.313 0.640 10 10 CCCE COc1cccc([C@@H](N)c2nnc(CN(C)C)o2)c1O 83585512 FDQJJXAJKRHTLT-LLVKDONJSA-N 278.312 0.894 10 10 CCCE COc1ccc(CN[C@H]2CCS(=O)(=O)C2)c(O)c1 40905624 ZMYOIHKLKAHHJJ-JTQLQIEISA-N 271.338 0.678 10 10 CCCE CCOC[C@H]1CN(C(=O)c2ccc(O)c(O)c2)CCO1 705824025 GQQOOIRNPDBRCJ-LLVKDONJSA-N 281.308 0.975 10 10 CCCE CN(Cc1ncnn1C)c1ccc([N+](=O)[O-])c(CO)c1 707649055 QCGBYNCWRRVTTG-UHFFFAOYSA-N 277.284 0.852 10 10 CCCE Oc1c(F)cc(F)cc1CN1CCO[C@@H]2CNC[C@H]21 708501438 FZSMDRROBPGUQQ-VXGBXAGGSA-N 270.279 0.843 10 10 CCCE CCN1C(=O)CN(CCOc2ccc(N)cc2)C1=O 689004767 FNWRHYZHQMOWLA-UHFFFAOYSA-N 263.297 0.932 10 10 CCCE CN(C)C[C@H](O)CN(C)c1ccc2c(c1)NC(=O)[C@@H]2O 690318429 UTIWGDMJFYKPOR-GXFFZTMASA-N 279.340 0.031 10 10 CCCE C[C@@H](O)[C@@H](O)CNCc1cccc(Br)c1O 717372706 COKMZJYVCZIIIR-XCBNKYQSSA-N 290.157 0.986 10 10 CCCE CNC(=O)CN(CC(=O)NC)c1ccc(CN)cc1Cl 720543182 FFJQOIVLJIPLIJ-UHFFFAOYSA-N 298.774 0.097 10 10 CCCE CN1C(=O)N(c2ccc(N)cc2)C(=O)[C@@H]2COC[C@H]21 90431283 RSFCLQCLTGGBGV-GHMZBOCLSA-N 261.281 0.682 10 10 CCCE NC(=O)[C@H]1OCC[C@@H]1Nc1c(N)cccc1C(=O)O 2117473963 VODARACXBKRUCE-WPRPVWTQSA-N 265.269 0.022 10 10 CCCE O=S1(=O)C[C@@H]2C(NCc3ccc(F)c(F)c3O)[C@H]2C1 2118013556 KLAHHECVFWZICM-YUMQZZPRSA-N 289.303 0.803 10 10 CCCE COc1ccc(N2[C@@H](C)CCNC(=O)[C@@H]2CN)cc1 216995505 ZKQRKQLRMQDTHK-GWCFXTLKSA-N 263.341 0.737 10 10 CCCE COc1ccc(N2C[C@H](C)CNC(=O)[C@H]2CN)cc1 216996505 SXSXLTFDGWADNG-ZWNOBZJWSA-N 263.341 0.595 10 10 CCCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C1(O)COC1 1626723282 YQJVHNBZOARNOT-GFCCVEGCSA-N 292.379 0.870 10 10 CCCE O=C(N[C@H]1Cc2cnccc2NC1=O)c1cccc(O)c1O 1643852151 PMSAVBDVYYHGMW-NSHDSACASA-N 299.286 0.786 10 10 CCCE CS(C)(=O)=NCCNC(=O)c1ccc(O)c(O)c1 1913493889 IJKUCKNHDKHXDG-UHFFFAOYSA-N 272.326 0.555 10 10 CCCE N[C@@H]1CCCc2cc(N3CC[C@](O)(CO)C3)ccc21 2128279403 PCSRISANRMGTFT-HUUCEWRRSA-N 262.353 0.956 10 10 CCCE C[C@H]1[C@@H](N)CCCN1C(=O)c1cc(O)c(O)c(O)c1 2132410223 LILNMLWFUAFTQF-CBAPKCEASA-N 266.297 0.755 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CC[C@]2(CCO2)C1 2132409470 GALXCJWKIYEESH-ZDUSSCGKSA-N 265.265 0.808 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CCOC(F)(F)C1 2132406331 HITLMGRULRPMGY-UHFFFAOYSA-N 275.207 0.869 10 10 CCCE Nc1ccc(CC(=O)N2CCC[C@H]2CS(N)(=O)=O)cc1 831927770 PMLPZTBKYKQNTE-LBPRGKRZSA-N 297.380 0.091 10 10 CCCE C[C@H](NC1CN(C(N)=O)C1)c1cc(O)ccc1O 1917779490 VJZLTHNULGMSCK-ZETCQYMHSA-N 251.286 0.511 10 10 CCCE O=C(NC[C@]12CC[C@H]1CNC2)c1cc(O)nc(O)c1 2136069048 ZJGIMBUWTLHPKC-TVQRCGJNSA-N 263.297 0.222 10 10 CCCE CC(C)NC(=O)[C@H]1COCCN1Cc1ccc(N)cc1 124412406 ZGMZKCJMOWOPRC-CQSZACIVSA-N 277.368 0.994 10 10 CCCE CCCn1nnc(Br)c1[C@H](O)C(=O)C(C)=O 1939628304 PXHAUSKCTHZJNG-QMMMGPOBSA-N 290.117 0.642 10 10 CCCE COc1ccc(N(CCCN)Cc2nnn(C)n2)cc1 234986207 RDBWMQOZGCBHTQ-UHFFFAOYSA-N 276.344 0.574 10 10 CCCE C[C@@H](N)CS(=O)(=O)N(C)Cc1ccccc1O 1947427181 WNNDCPOGEIRTCT-SECBINFHSA-N 258.343 0.501 10 10 CCCE CNC(=O)CN(C)CCCC(=O)Nc1ccc(N)cc1 37269674 HIFBVFWXUGWNQL-UHFFFAOYSA-N 278.356 0.665 10 10 CCCE CO[C@@H]1CN[C@H](C(=O)NCc2ccc(N(C)C)cc2)C1 40825960 ALIBWLFCMARPLP-KBPBESRZSA-N 277.368 0.746 10 10 CCCE C[C@@H](CN)S(=O)(=O)N[C@H](C)c1ccccc1O 2017520757 KDCMELMLJGYUPP-DTWKUNHWSA-N 258.343 0.720 10 10 CCCE C[C@H](N)CS(=O)(=O)N[C@H](C)c1ccccc1O 2017525879 WGDZLTJAUFNYTK-DTWKUNHWSA-N 258.343 0.720 10 10 CCCE Nc1ccc(CCC(=O)N2C[C@H](F)[C@H](O)C2)cc1 2031872811 SMPFLZVOHBXQBI-NWDGAFQWSA-N 252.289 0.743 10 10 CCCE COc1c(O)nc(-c2ccc(O)c(O)c2)nc1O 2037248000 FHSLMRUKEWJUCP-UHFFFAOYSA-N 250.210 0.975 10 10 CCCE CN(C)CCN(CCO)c1ccc(CN)cc1F 2038026900 VLQVGHYCDGBFET-UHFFFAOYSA-N 255.337 0.645 10 10 CCCE CC[C@H]1CN(C(=O)c2ccc(O)c(O)c2)C[C@H]1O 400472958 YKBMMGOFBYYKAZ-QPUJVOFHSA-N 251.282 0.941 10 10 CCCE CO[C@@H]1C[C@@H](CO)N(c2ccc([C@@H](C)N)c(O)c2)C1 311629962 IYMSQXDCUQRSCL-ADEWGFFLSA-N 266.341 0.998 10 10 CCCE CS(=O)(=O)CC1CN(c2ccc3c(c2)NC(=O)[C@@H]3N)C1 2159436125 XRXYTBIISMTVLE-GFCCVEGCSA-N 295.364 0.119 10 10 CCCE COc1ccc(CN[C@H]2CCC(=O)NC2=O)c(O)c1 89751602 UGQNYCUJQLNYMA-JTQLQIEISA-N 264.281 0.296 10 10 CCCE COc1ccc(N2CCOC[C@]2(CN)CO)c(OC)c1 2162673250 PTQMOKWFXBIUNQ-AWEZNQCLSA-N 282.340 0.230 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1C[C@H]2C[C@H](O)[C@@H](O)[C@H]1C2 2173342539 CJLVJIPNSXORJM-HVJKSMARSA-N 279.292 0.054 10 10 CCCE NC[C@@H]1CSCCN1C(=O)c1cccc(O)c1O 387975679 NKYGCKIQORDYMQ-MRVPVSSYSA-N 268.338 0.614 10 10 CCCE Cn1cc(CNC(=O)COc2ccc(N)cc2)nn1 389841813 WZBOJOMLWVOVIS-UHFFFAOYSA-N 261.285 0.093 10 10 CCCE Cc1cc(O)ccc1NS(=O)(=O)CCOCCN 722231173 ADXXGTTVKHABCU-UHFFFAOYSA-N 274.342 0.418 10 10 CCCE CNC(=O)CCCNS(=O)(=O)Cc1ccc(N)cc1 398304471 ONJICXFKPHQWGU-UHFFFAOYSA-N 285.369 0.214 10 10 CCCE C[C@H](O)[C@H]1CN(C(=O)CCc2ccc(N)cc2)CCO1 2174152573 MWLSFQLVPMZAKZ-SMDDNHRTSA-N 278.352 0.810 10 10 CCCE CN(C[C@]1(C)COCCO1)C(=O)c1ccc(O)c(O)c1 2174266349 JPOIOZFNBXXFER-CQSZACIVSA-N 281.308 0.975 10 10 CCCE Cc1cc(O)n2ncc(C(=O)N3CCC[C@@H](O)[C@@H]3C)c2n1 2062610449 DEZGHNVUEODBEC-GXSJLCMTSA-N 290.323 0.729 10 10 CCCE Cc1cc(O)n2ncc(C(=O)N3C[C@@H](O)C(C)(C)C3)c2n1 2063009912 PGZCZJGBVIFSIM-SNVBAGLBSA-N 290.323 0.586 10 10 CCCE CN(CC1(S(C)(=O)=O)CC1)C(=O)c1cccc(O)c1O 2167826798 FXFQYDMKMZOPMJ-UHFFFAOYSA-N 299.348 0.747 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H]1CCC[C@@H]1F 2175566723 QEQZVOPFRNOILP-DCAQKATOSA-N 282.315 0.974 10 10 CCCE CN(CCOCCOCCO)c1ccc(N)cc1 204239392 UDKOLUCSUPACNQ-UHFFFAOYSA-N 254.330 0.731 10 10 CCCE Nc1ccc(OCC(=O)NCC[C@@H]2CCNC2=O)cc1 2196748265 ANSUVNDBIRBAST-SNVBAGLBSA-N 277.324 0.290 10 10 CCCE O=C1Nc2cc(N3C[C@@H]4[C@H](CO)[C@@H]4C3)c(Cl)cc2[C@@H]1O 2182047369 FDXWHMXADAJUQL-ZZIUEJKTSA-N 294.738 1.000 10 10 CCCE C[C@H](NC(=O)c1cc(O)c(O)c(O)c1)C1CCNCC1 2188919983 RFWKKCIEEQDDKU-QMMMGPOBSA-N 280.324 0.921 10 10 CCCE C[C@H]1CNCC[C@H]1N(C)C(=O)c1cc(O)c(O)c(O)c1 2188910221 SWWNRLSXQQFCAQ-WCBMZHEXSA-N 280.324 0.873 10 10 CCCE CN(C(=O)CN1CCOC[C@H]1CF)c1ccc(N)cc1 2182604767 ILPBPPJNALKNCB-CYBMUJFWSA-N 281.331 0.902 10 10 CCCE NCc1ccc(N2C[C@H]3C[C@H]2[C@H](O)[C@H]3O)c(Cl)c1 2042553568 ATYCEFHTWTXGQQ-YJRXYDGGSA-N 268.744 0.729 10 10 CCCE CON(C(=O)Cc1ccc(N)cc1)[C@@H]1CCOC1 2046223283 PGOXXEGOPTYTRV-GFCCVEGCSA-N 250.298 0.990 10 10 CCCE COc1ccc(O)c(CN[C@@H]2C[C@H](O)C[C@H]2O)c1 2046491106 UONOAKXWTRAAGW-UFGOTCBOSA-N 253.298 0.375 10 10 CCCE CC1(C)OC[C@@H](NC(=O)Cc2ccc(O)c(O)c2)[C@H]1O 2199439145 IYPXQJATVJOSSZ-NOZJJQNGSA-N 281.308 0.295 10 10 CCCE O=C1Nc2cc(N3CC(F)(CO)C3)ccc2[C@H]1O 2052727784 IZIBDATVECDCMC-SNVBAGLBSA-N 252.245 0.193 10 10 CCCE C[C@H]1CCN(c2cc3c(cc2N)OCC(=O)N3)C[C@@H]1N 2191592750 LIUWXQAHIYZURD-WPRPVWTQSA-N 276.340 0.773 10 10 CCCE NC[C@H]1CC[C@H]1NS(=O)(=O)CCOc1ccc(N)cc1 2191635244 PVSPPGNPAQNPHQ-ZWNOBZJWSA-N 299.396 0.304 10 10 CCCE C[C@@H]1[C@@H]2CNC[C@H]2CN1C(=O)COc1ccc(N)cc1 2191714802 RUNVEKUOIYUMNQ-SUNKGSAMSA-N 275.352 0.714 10 10 CCCE C[C@@H](O)[C@@H]1CCN1S(=O)(=O)Cc1ccc(N)cc1 2061818769 SUGSDYFYIWCCGW-SKDRFNHKSA-N 270.354 0.554 10 10 CCCE CN(C[C@@H]1CCN1C)C(=O)c1cccc(O)c1O 2066401177 BSXHCLMRUAAYRW-VIFPVBQESA-N 250.298 0.874 10 10 CCCE O=C(NC[C@H]1CC[C@H]1O)c1cc(O)c(O)c(O)c1 2068615638 RGXJPBBRCXMZRE-HTRCEHHLSA-N 253.254 0.304 10 10 CCCE CN(Cc1nnn(C)n1)c1ccc(CN)c(Cl)c1 2077217372 WMUIGOHPGMDPIZ-UHFFFAOYSA-N 266.736 0.959 10 10 CCCE NC(=O)CN(CC(=O)O)Cc1ccc(Cl)cc1O 2081017586 PKGLZLDLLAXONN-UHFFFAOYSA-N 272.688 0.418 10 10 CCCE Cc1ccc(O)c([C@@H](C)NCCCNS(N)(=O)=O)c1 2101320892 BDMDIRBBYPWFPE-SNVBAGLBSA-N 287.385 0.534 10 10 CCCE COc1ccc(N2CC[C@@H](O)[C@@](C)(O)C2)c(N)c1 2081721796 UDRXPDFBPOJODB-OLZOCXBDSA-N 252.314 0.599 10 10 CCCE COC(=O)[C@H](Nc1c(N)cccc1C(N)=O)C(C)C 2108741577 PFUMQLOGCMYSLM-SNVBAGLBSA-N 265.313 0.977 10 10 CCCE OC[C@@H]1C[C@H](NCc2ccc(O)c(O)c2O)[C@H]2C[C@H]21 2110549888 POFPVRAFDIWETF-NAKRPEOUSA-N 265.309 0.910 10 10 CCCE CO[C@H]1CN(C(=O)c2ccc(O)c(O)c2)CC[C@H]1O 2090576090 LBRSRKDPGPVFHZ-PWSUYJOCSA-N 267.281 0.320 10 10 CCCE CC1(C)CCNC[C@H]1NC(=O)c1cc(O)nc(O)c1 2096267910 GBBGIMNDFDBHCF-SECBINFHSA-N 265.313 0.611 10 10 CCCE Nc1ccc(OCC(=O)N[C@@H]2C[C@@H]3C[C@@H](N)[C@@H]3C2)cc1 2201996653 MPZYDICVWKKVBB-WGEPELCKSA-N 275.352 0.890 10 10 CCCE COc1ccc(CN2C[C@@H]3NC(=O)O[C@@H]3C2)c(O)c1 2120408960 ZDTRSSBWXSVJII-CMPLNLGQSA-N 264.281 0.693 10 10 CCCE Nc1ccc(CCN2C[C@@H]3CCO[C@]3(CO)C2)cc1 2231300248 HBNHKKHIIGTATE-ZFWWWQNUSA-N 262.353 0.895 10 10 CCCE COC(=O)C1(O)CN(c2ccc([C@@H](C)O)cc2C)C1 2232104643 NECPYZACIBFFPX-SNVBAGLBSA-N 265.309 0.772 10 10 CCCE COC[C@@H]1[C@@H](O)[C@@H](O)CN1c1ccc2c(c1)CC[C@@H]2N 2234069406 IMKNAAXKEQMPLK-LJISPDSOSA-N 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CC(=O)C(=O)COC(=O)c1cnn2c1CCCC2 808529279 CEZYXTFRXYJTPB-UHFFFAOYSA-N 250.254 0.534 10 10 CCCE O=[N+]([O-])c1cc(CO)ccc1N1CC[C@@H](OCCO)C1 2165350528 ZYMPYPWPGMCVTP-LLVKDONJSA-N 282.296 0.675 10 10 CCCE NC(=O)N1CC[C@H](NC(=O)CCc2ccc(N)cc2)C1 393282684 RPOWALYCARNRMX-LBPRGKRZSA-N 276.340 0.471 10 10 CCCE Nc1ccc(OC[C@H](O)C[S@@](=O)C[C@@H]2CCCO2)cc1 722445282 VAQGRXQYLAABIO-TVSHIAKJSA-N 299.392 0.936 10 10 CCCE CCN[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)C[C@@H]1C 721621072 CYTDIZXOGPKJIB-ONGXEEELSA-N 279.340 0.953 10 10 CCCE CN(C)C(=O)CN(C)c1ccc2c(c1)NC(=O)[C@@H]2N 723160177 RTUYGKFPPCOZRA-GFCCVEGCSA-N 262.313 0.163 10 10 CCCE CN1C[C@@H](C(=O)N2CCC[C@H](N=[N+]=[N-])C2)CC1=O 701264053 LYXJREVFIDXQQN-IUCAKERBSA-N 251.290 0.766 10 10 CCCE CCN1CCO[C@@H](C(=O)NCc2c(O)cccc2F)C1 928705634 MKQOJIPYOVGIGN-CYBMUJFWSA-N 282.315 0.868 10 10 CCCE NC(=O)[C@H]1C[C@H](NCc2cc([N+](=O)[O-])ccc2O)C1 858249707 UPJNRPCGYHTWKR-XWEPSHTISA-N 265.269 0.654 10 10 CCCE C[C@H](C(=O)N(C)C)S(=O)(=O)N1Cc2cccc(O)c2C1 867690756 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N[C@H]1CCc2cc(N3CC4(CNS(=O)(=O)C4)C3)ccc21 2184744400 VGSVKNVNBXOJDA-ZDUSSCGKSA-N 293.392 0.372 10 10 CCCE Cc1nc(CNS(=O)(=O)Cc2ccc(N)cc2)nn1C 2190737064 WDSPUXXROXLPMX-UHFFFAOYSA-N 295.368 0.325 10 10 CCCE O=C(NCC1CC2(CC[C@H]2O)C1)c1cc(O)nc(O)c1 2195357441 JLMODBIANVUNBI-MHMQJKDYSA-N 278.308 0.774 10 10 CCCE CCN1CC[C@@H](NCc2cc(O)c(O)c(O)c2)C1 2068607838 HLUXSICPORWUPY-SNVBAGLBSA-N 252.314 0.987 10 10 CCCE Nc1ccc(CC(=O)N2CC[C@@]3(C[C@@H](O)CO3)C2)cc1 2201758783 PJKHMVDRZPDTLS-UKRRQHHQSA-N 276.336 0.564 10 10 CCCE C[C@@H](O)c1ccc(N2CC(CS(C)(=O)=O)C2)cc1O 2103220479 IVIPJMVLZYHFMQ-SECBINFHSA-N 285.365 0.926 10 10 CCCE COc1ccc(CN[C@H](C(=O)O)C2COC2)c(O)c1 2104900958 RYGOZEBPCNUANT-LBPRGKRZSA-N 267.281 0.590 10 10 CCCE COc1cc(N)c(N2C[C@H](O)C[C@@H](O)C2)cc1OC 2105069573 CBIFVJWOHUWCIR-RKDXNWHRSA-N 268.313 0.218 10 10 CCCE CCOc1ccc(N2CCOC[C@@]2(CN)CO)cc1 2106389167 KOBGTBTXLUWFHR-CQSZACIVSA-N 266.341 0.612 10 10 CCCE COc1ccc(N2CC[C@@H](OCC(N)=O)C2)c(N)c1 2089135217 KIVUXURIUMWHRA-SNVBAGLBSA-N 265.313 0.358 10 10 CCCE O=C(NCC[C@H]1COC[C@@H]1O)c1ccc(O)c(O)c1 2111286637 FLIWLCCUXAZRPR-CABZTGNLSA-N 267.281 0.225 10 10 CCCE CN1CCc2cc(CN3CCOC[C@H](N)C3)ccc21 2095849788 DMLTWIPMWHUNNS-CQSZACIVSA-N 261.369 0.838 10 10 CCCE Cc1cc(CN)ccc1N1CCN(CCO)C(=O)C1 2114638474 NTZILFCAELCCLE-UHFFFAOYSA-N 263.341 0.095 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CC=CCC12COC2 2201658979 CPSLJHJRTQKDMG-UHFFFAOYSA-N 277.276 0.975 10 10 CCCE CN[C@H](C)c1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CO)c(F)c1 2201031534 AEFOVJNCHWCIKD-DGJRKYIQSA-N 284.331 0.009 10 10 CCCE Nc1ccc(CC(=O)Nc2nnc(Cl)nn2)cc1 2219012274 FSDTVDXVWLXICM-UHFFFAOYSA-N 264.676 0.683 10 10 CCCE N[C@]1(C(=O)C(=O)C[C@H]2C[C@H](N)C2)C[C@H]2OCCC[C@H]21 2272780251 PQCJNFDMGZOBMK-JRROOKDNSA-N 266.341 0.148 10 10 CCCE N=c1cc(CNC(=O)c2cc(O)nc(O)c2)cc[nH]1 2231891682 STAMCPZKFJXTRL-UHFFFAOYSA-N 260.253 0.230 10 10 CCCE Cc1cc([C@H](C)N)ccc1N1C[C@H](O)C[C@@H]1CO 2223926274 SEDKSRJNMYVMCA-CYZMBNFOSA-N 250.342 0.947 10 10 CCCE COc1ccc(CN[C@@H]2CCC[C@H](O)[C@H]2O)c(O)c1 2224352947 BUAYJFQJSXVJOK-DYEKYZERSA-N 267.325 0.765 10 10 CCCE C[C@H]1Cc2cc(N3CCC[C@@](O)(C(N)=O)C3)ccc2O1 2235060168 BAZGKDZNYPSZGB-BONVTDFDSA-N 276.336 0.827 10 10 CCCE COc1ccc(N(C)C2CS(=O)(=O)C2)c(C[C@H](C)N)c1 2235980140 DYYIFRDFHBGAJZ-JTQLQIEISA-N 298.408 0.818 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@H](O)C[C@@H](F)C1 2226308315 ZOQBUSYSQQUWJQ-HTQZYQBOSA-N 271.244 0.348 10 10 CCCE CN(C)c1ccc(OC[C@H](O)CN2CCOCC2)cc1 2237695630 KFSIOZWVLZSQRM-CQSZACIVSA-N 280.368 0.825 10 10 CCCE COc1ccc(N2CC[C@@](C)(O)[C@H](O)C2)c(C=O)c1 2227693686 ZNIBIWZTVNGJQY-ZIAGYGMSSA-N 265.309 0.830 10 10 CCCE O=C(NCC[C@H]1CCO1)c1cc(O)c(O)c(O)c1 2264021348 JZGVKWNRWKUUIK-QMMMGPOBSA-N 253.254 0.712 10 10 CCCE Cc1cc(N2CC3(CNC(=O)CO3)C2)ccc1CO 2273953909 JFAWNFUCYNVVIR-UHFFFAOYSA-N 262.309 0.193 10 10 CCCE NC[C@H]1CC[C@H](CNC(=O)c2cccc(O)c2O)OC1 2279333470 IBXCYPNMMFKRIY-NXEZZACHSA-N 280.324 0.582 10 10 CCCE C[C@@H](O)CN(CCN)C(=O)CCc1ccc(N)cc1 2269813101 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C[C@H](CC(N)=S)NC(=O)c1ccc(O)c(O)c1 235422696 XHGFIRHXGGBIKN-ZCFIWIBFSA-N 254.311 0.892 10 10 CCCE Cn1nnc(Br)c1S(=O)(=O)N=[N+]=[N-] 236087086 DRTMGFACDLDHMX-UHFFFAOYSA-N 267.068 0.577 10 10 CCCE CCN1CCC(NCCCN=[N+]=[N-])(C(N)=O)CC1 90260392 XZJKURASUJBCPC-UHFFFAOYSA-N 254.338 0.616 10 10 CCCE COCCNC(=O)CN(C)c1ccc([C@@H](C)N)c(O)c1 723181116 CUVCOIMYURVXDP-SNVBAGLBSA-N 281.356 0.611 10 10 CCCE CCNC(=O)CN(CC)c1ccc2c(c1)NC(=O)[C@H]2N 723185315 MAMOIKHGRIPQHC-ZDUSSCGKSA-N 276.340 0.601 10 10 CCCE O=C1N[C@@H](C(=O)NCc2ccc(O)cc2O)CS1 910951351 GAVIYWMNIACGJY-MRVPVSSYSA-N 268.294 0.539 10 10 CCCE Nc1ccc(OCCC(=O)N2C[C@H]3C(N)[C@@H]3C2)cc1 1876490592 DDQQARWJZVKQOA-VXGBXAGGSA-N 261.325 0.453 10 10 CCCE CN[C@H]1CCCN(C(=O)COc2ccc(N)cc2)C1 1876455991 KMYAQCRXBUOZNM-LBPRGKRZSA-N 263.341 0.858 10 10 CCCE Cn1cc(N)c(S(=O)(=O)Nc2ccc(O)c(F)c2)n1 1876530264 YRIYOFXEXPXIFY-UHFFFAOYSA-N 286.288 0.648 10 10 CCCE CN(Cc1ccccc1O)S(=O)(=O)C[C@H]1CC[C@H]1N 1877525373 RLVJJFTZMOBBLC-VXGBXAGGSA-N 284.381 0.891 10 10 CCCE C[C@H](c1ccccc1O)N(C)[C@@H]1CS(=O)(=O)C[C@H]1N 1877545504 PIQDDSVPUYIRIB-YUSALJHKSA-N 284.381 0.509 10 10 CCCE CN(C)c1ccc(O[C@@](CN)(CF)C(=O)O)cc1 2253986080 PKNPLSODJMSEEG-GFCCVEGCSA-N 256.277 0.883 10 10 CCCE Cc1cccc(O)c1CN1CC(O)(c2ncnn2C)C1 895618358 GRBJKPWYIMSFBX-UHFFFAOYSA-N 274.324 0.533 10 10 CCCE CC(=O)C(=O)C1(O)CC2(CN(C(=O)OC(C)(C)C)C2)C1 1882573011 WKCDTLDBGILQKB-UHFFFAOYSA-N 283.324 0.907 10 10 CCCE Nc1ccc(CC(=O)N[C@H](CO)C[C@@H]2CCOC2)cc1 1964406593 KDKCWQYIQLDVCM-JSGCOSHPSA-N 278.352 0.715 10 10 CCCE CN(C)c1ccc(CN2CC(=O)NC[C@H]2C(=O)O)cc1 1963324968 FJHKTCWYHRTZDQ-LBPRGKRZSA-N 277.324 0.138 10 10 CCCE CCOC(=O)Cc1nnc([C@H](N)c2ccccc2O)o1 83579557 ZLUIMFGXQJDOIQ-GFCCVEGCSA-N 277.280 0.929 10 10 CCCE COc1ccc(CNC[C@H](O)CNC(=O)C2CC2)cc1C 1320187640 LYHYUWFZCYTTLG-AWEZNQCLSA-N 292.379 0.980 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3C[C@@H](CO)[C@@H](C)C3)ccc21 709227784 VULWZKCABXMKBQ-BHDSKKPTSA-N 275.352 0.964 10 10 CCCE NC(=O)CONCc1ccc(Br)cc1O 691413054 FVVHSXWARQIJRJ-UHFFFAOYSA-N 275.102 0.661 10 10 CCCE O=C(NCC1(CO)CCOCC1)c1c(F)ccc(O)c1O 1457712761 YCEZKQSXSPRQMX-UHFFFAOYSA-N 299.298 0.756 10 10 CCCE O=C(NC[C@H](CO)[C@@H]1CCOC1)c1c(F)ccc(O)c1O 1611209727 MMJHISROHTVDSH-RKDXNWHRSA-N 299.298 0.612 10 10 CCCE C[C@H](N)c1ccc(N2C[C@H](O)[C@@H](O)C2(C)C)cc1O 2124797970 AJFVZOWRIRZEDO-AQUOVQTQSA-N 266.341 0.732 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)CN2CCCC2=O)C1 1912187474 HNERGVIXQOTXBL-VIFPVBQESA-N 251.290 0.768 10 10 CCCE Cn1cc([C@H](O)CNC(=O)Cc2ccc(O)c(O)c2)cn1 1588248670 MIEXZFUCGMTYSN-CYBMUJFWSA-N 291.307 0.224 10 10 CCCE CN(CC(=O)Nc1ccc(N)cc1)CC1(O)CCOCC1 161393708 XPHKTLPUORQPOZ-UHFFFAOYSA-N 293.367 0.681 10 10 CCCE Nc1ccc(OCCN2CCn3nncc3C2)cc1 2130049652 NFBIHIKHVOAEIX-UHFFFAOYSA-N 259.313 0.755 10 10 CCCE CC(=O)NCCCNC(=O)c1cc(O)c(O)c(O)c1 2132349557 FCRVQTYSJPPRNI-UHFFFAOYSA-N 268.269 0.059 10 10 CCCE O=C(O)[C@H]1CC12CN(C(=O)c1cc(O)nc(O)c1)C2 1914760762 INDVOSXZTDBUNS-SSDOTTSWSA-N 264.237 0.040 10 10 CCCE CN(C(=O)CN1CCC2(COC2)C1)c1ccc(N)cc1 1915799424 ATMPVRZSRWLQAW-UHFFFAOYSA-N 275.352 0.954 10 10 CCCE C[C@@]1(CNC(=O)c2cccc(O)c2O)CCNC1=O 2136076052 MLISCRIZTSROSU-ZDUSSCGKSA-N 264.281 0.354 10 10 CCCE CC(=O)C(=O)[C@@H](O)C(C)(C)NC(=O)OC(C)(C)C 1919303904 SDNSRYPNHQAWCE-SECBINFHSA-N 259.302 0.809 10 10 CCCE CN(C(=O)c1cc(O)nc(O)c1)[C@H]1CCCNCC1 226455267 NUUVIMPBRSFCGZ-JTQLQIEISA-N 265.313 0.707 10 10 CCCE Nc1ccc(-n2ccc(C(=O)N3CC(CO)C3)n2)cc1 227195638 YJJCKIMLJODMHG-UHFFFAOYSA-N 272.308 0.519 10 10 CCCE O=C(O)C[C@@H]1COCCN1C(=O)c1ccc(O)c(O)c1 236433123 SOGXVUFNLLIVQP-SECBINFHSA-N 281.264 0.414 10 10 CCCE CC[C@H](N)c1ccc(N2CC(=O)NC(=O)[C@@H]2C)cc1 234036661 YEPMORMFQTVCHP-CABZTGNLSA-N 261.325 0.948 10 10 CCCE C[C@]1(C(N)=O)CCN(CCOc2ccc(N)cc2)C1 235740653 TXYHBQOHLUHLSV-AWEZNQCLSA-N 263.341 0.845 10 10 CCCE C[C@H]1CCC[C@@]1(NC(=O)c1cc(O)nc(O)c1)C(=O)O 2149441356 CEBAHVAEEREOTG-CPFSXVBKSA-N 280.280 0.866 10 10 CCCE COC(=O)[C@](C)(N)C1(c2ccc(O)c(O)c2O)CC1 1951960734 BICMAPOWRVAPQB-LBPRGKRZSA-N 267.281 0.725 10 10 CCCE C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)[C@H]1CCNC1 1971643216 NPTGRBYBSGVDLG-KOLCDFICSA-N 264.325 0.755 10 10 CCCE C[C@@H]1CN(c2ccc3c(c2)N(C)C(=O)[C@H]3N)CC[C@@H]1O 253181523 IRIJILKZINJUGI-IIMNLJJBSA-N 275.352 0.870 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3C[C@H]4C[C@H]3CC[C@H]4O)ccc21 2144888710 OPWVIYPLTAYXMI-NTKGCBCNSA-N 273.336 0.988 10 10 CCCE C[C@H]1CC[C@H](C(=O)O)N(C(=O)c2cc(O)nc(O)c2)C1 2146235715 NBRVCLCTAJTUDE-IONNQARKSA-N 280.280 0.818 10 10 CCCE Cc1cccc(N)c1N[C@H]1CS(=O)(=O)C[C@@H]1O 2008562513 SHLIOKXOHIYFRP-UWVGGRQHSA-N 256.327 0.147 10 10 CCCE CC(C)C[C@@H](O)CN(CC(N)=O)Cc1ccc(N)cc1 2155590688 LPYAAZUBYMQIKC-CQSZACIVSA-N 279.384 0.963 10 10 CCCE C[C@@H](CN1CCN(c2ccc(N)cc2)CC1)C(N)=O 57470017 DMUKURGXSGVDMZ-NSHDSACASA-N 262.357 0.512 10 10 CCCE C[C@H]1CCN(CC(=O)Nc2ccc(N)cc2)[C@H]1CO 299954980 HEPPHYBRYXMVHA-GWCFXTLKSA-N 263.341 0.910 10 10 CCCE Cn1c(SCCC(=O)Nc2ccc(N)cc2)n[nH]c1=O 61592357 WYGCVWXNOKMZSP-UHFFFAOYSA-N 293.352 0.812 10 10 CCCE C[C@@H](CC1CNC1)NC(=O)c1cccc(O)c1O 2034004710 QLGJDVGQKYSRJP-QMMMGPOBSA-N 250.298 0.826 10 10 CCCE Nc1ccc(O)c(CN2C[C@H](O)[C@@H]3COC[C@H]32)c1 2040600058 LUIPYCHEEUKTFW-WZRBSPASSA-N 250.298 0.166 10 10 CCCE CS(=O)(=O)N1CC[C@H](Nc2c(N)cccc2F)C1 400211089 JRQYQSKUIZMERP-QMMMGPOBSA-N 273.333 0.854 10 10 CCCE N=C(CC1(CNC(=O)c2cccc(O)c2O)CC1)NO 404126023 QNNCLCZIQDKFCZ-UHFFFAOYSA-N 279.296 0.954 10 10 CCCE CN[C@]1(C(=O)NCc2ccccc2O)CCOC1 311015810 BDHDCCBDUNTLLQ-CYBMUJFWSA-N 250.298 0.387 10 10 CCCE CN1C[C@H](NCc2ccc3c(c2)CCN3C)CC1=O 312123522 XHKFMYKXRHWCRR-CYBMUJFWSA-N 259.353 0.999 10 10 CCCE CS(=O)(=O)N1CCCC[C@H]1C(=O)NCCN=[N+]=[N-] 701270440 KDTXKJKGBCPTSN-QMMMGPOBSA-N 275.334 0.227 10 10 CCCE CN1CCC[C@@H](NC(=O)COc2ccc(N)cc2)C1=O 704388229 LVXIDDWIWDLJGQ-GFCCVEGCSA-N 277.324 0.385 10 10 CCCE Nc1cc2c(cc1N1C[C@@H](CO)[C@H](CO)C1)OCCO2 704698473 IWJRYMLMAARBLR-UWVGGRQHSA-N 280.324 0.077 10 10 CCCE CN(C)CCONCc1cc2c(cc1O)OCO2 379019019 RUIFJMNWWBKKPT-UHFFFAOYSA-N 254.286 0.704 10 10 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CCCE O=C1CCC[C@H](CNCc2cccc(O)c2O)N1 2028876770 FMWKTRORTYKDSZ-SNVBAGLBSA-N 250.298 0.856 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3C[C@H](O)[C@@H](F)C3)ccc21 2031929734 VABWYPHRAIWSRM-LSJOCFKGSA-N 251.261 0.158 10 10 CCCE Nc1ccc(OCCN2C[C@@H](O)C(F)(F)C2)cc1 2034601859 KUKZHYUPUOMHFP-LLVKDONJSA-N 258.268 0.959 10 10 CCCE COC[C@@](O)(CO)CNCc1cc(C)ccc1O 2040782618 RVDOTGSCRFRUGN-ZDUSSCGKSA-N 255.314 0.160 10 10 CCCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)CN2CCCC2=O)C1 403678330 SUBYUILMJPMBDQ-SECBINFHSA-N 251.290 0.910 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@H]1CNCCOC1 700464771 YSZGFORQOXHYCI-LBPRGKRZSA-N 264.325 0.587 10 10 CCCE COc1ccc(N2C[C@H](OC)C[C@H]2CO)c(N)c1 310996104 MEQPMRCCXCCUIG-GXSJLCMTSA-N 252.314 0.863 10 10 CCCE CNCc1ccc(N2C[C@H](O)[C@@H](CO)C2)c(F)c1 316593181 OITWPGCRBIWFJT-MFKMUULPSA-N 254.305 0.335 10 10 CCCE CN(C)C(=O)[C@@H]1CNCCN1Cc1cc(Cl)ccc1O 89083192 JQHRFJOJMQOLDX-LBPRGKRZSA-N 297.786 0.908 10 10 CCCE COc1ccc(O)c(CN2CC[C@]3(CNC(=O)N3)C2)c1 2177679583 GFJIDBRXGHAJPC-AWEZNQCLSA-N 277.324 0.658 10 10 CCCE Nc1ccc(CC(=O)N[C@H](C(=O)O)C(F)(F)F)cc1 706992148 RIVFEEZQKXHYOV-SECBINFHSA-N 276.214 0.943 10 10 CCCE CN1C[C@@H]2CN(c3ccc4c(c3)NC(=O)[C@@H]4N)C[C@H]2C1 707000754 RCLICWNRAXNYIR-GPCCPHFNSA-N 272.352 0.636 10 10 CCCE O=C(NC1(C(=O)O)CCNCC1)c1cccc(O)c1O 692916881 PVISBUBNZQEBRD-UHFFFAOYSA-N 280.280 0.034 10 10 CCCE O=C(NC[C@@H]1CCO[C@@H]1C(=O)O)c1cccc(O)c1O 715127031 AXYWHRUJYOAZER-CPCISQLKSA-N 281.264 0.317 10 10 CCCE [N-]=[N+]=NCCCN[C@@]1(C(N)=O)CCN2CCC[C@H]1C2 383446987 ZFDCSZRWFFNLGG-JQWIXIFHSA-N 266.349 0.616 10 10 CCCE COc1cccc(CNCc2nc(O)n[nH]2)c1O 392385529 IEWDXEGLDWJNBC-UHFFFAOYSA-N 250.258 0.514 10 10 CCCE COCC[C@H](CO)NC(=O)CCc1ccc(N)cc1 387628986 FWPPRKSAWLZOMP-CYBMUJFWSA-N 266.341 0.715 10 10 CCCE COC[C@H]1C[C@H]1NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 2174343957 HULHKSIYZQZPLB-OUAUKWLOSA-N 280.324 0.119 10 10 CCCE Nc1ccc(OC[C@H](O)CN2CCCC[C@H](O)C2)cc1 2169207313 XFWVFQZKTDMELC-UONOGXRCSA-N 280.368 0.855 10 10 CCCE CN(CC1CCNCC1)C(=O)c1cc(O)c(O)c(O)c1 2188926068 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COc1ccc(N2CCO[C@H](CCO)C2)c(N)c1 2052686420 BDTWOHIMIOPPRZ-LLVKDONJSA-N 252.314 0.865 10 10 CCCE O=S1(=O)C[C@H]2C(NCc3ccc(O)cc3O)[C@@H]2C1 2054274953 GYPPFYVCUHXHOD-NXEZZACHSA-N 269.322 0.230 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)CCC23CC(CN2)C3)C1 2058066517 VCONLPJYTKTUOM-CVZLLVAFSA-N 250.342 0.784 10 10 CCCE CC1(C)OCCO[C@@H]1Cn1ccc2c(c1=O)CNCC2 2186971350 STFKDDWZEWMHBB-CYBMUJFWSA-N 278.352 0.688 10 10 CCCE C[C@@H](N)c1ccc(N2CC[C@H](O)[C@H](O)C2)c(F)c1 2068368010 AXBVXTPMSQHQIQ-OXHMUOHRSA-N 254.305 0.777 10 10 CCCE N[C@H]1CC[C@H]1CNC(=O)c1cc(O)c(O)c(O)c1 2068621037 LQIXPCAXADNNIO-XPUUQOCRSA-N 252.270 0.271 10 10 CCCE C[C@H]1N2CCC(CC2)[C@]1(NCCN=[N+]=[N-])C(N)=O 2072643075 FPRCJXKALDDDST-KCJUWKMLSA-N 252.322 0.225 10 10 CCCE O=S(=O)(CCC1CNC1)Nc1ccc(O)c(F)c1 2079001875 YLRXGJATLNQELZ-UHFFFAOYSA-N 274.317 0.883 10 10 CCCE C[C@@H](c1ccc(O)cc1O)N1CC(O)(C(=O)O)C1 2081050620 VCORCBVHRJGMCT-ZETCQYMHSA-N 253.254 0.290 10 10 CCCE [N-]=[N+]=NCCNC(=O)[C@@]12CCC[C@@H]1CS(=O)(=O)C2 2082083012 OGCKVOPXGJWZFW-PSASIEDQSA-N 272.330 0.628 10 10 CCCE CCn1nncc1S(=O)(=O)Nc1ccc(O)cc1N 2089187632 BENYJPKVMZGHOM-UHFFFAOYSA-N 283.313 0.387 10 10 CCCE CC1(C)CN(CC(=O)c2ccc(O)c(O)c2)[C@@H]1CO 2092553034 SPRFLRFMHKAGKK-CYBMUJFWSA-N 265.309 0.983 10 10 CCCE Nc1ccc(N2C(=O)N[C@@H]([C@@H]3CCOC3)C2=O)cc1 2092890318 KMHXKNBMSTVLMJ-KCJUWKMLSA-N 261.281 0.730 10 10 CCCE C[C@]1(O)CON(CCC(=O)Nc2ccc(N)cc2)C1 2093402020 NSRBMNUFSVMNJG-CYBMUJFWSA-N 265.313 0.596 10 10 CCCE Nc1ccc(CCC(=O)N2CC[C@H](C(=O)O)O2)cc1 2097050755 YTFDQQRVYBBJRG-LLVKDONJSA-N 264.281 0.819 10 10 CCCE CNCc1ccc(N2C[C@@H](CO)C[C@H]2CO)cc1OC 2204552352 AKLGSOGISGDEJH-FZMZJTMJSA-N 280.368 0.594 10 10 CCCE Cc1cc([C@@H](C)N)ccc1N(C)[C@H]1CC(=O)NC1=O 2232027369 LPKNVACRFZLNHU-SKDRFNHKSA-N 261.325 0.866 10 10 CCCE [N-]=[N+]=NCCCCN1C[C@H]2C[C@@H](C1)[C@H](CO)[C@H]2N 2223105576 LQDWPNUNVHPVQS-USZNOCQGSA-N 253.350 0.964 10 10 CCCE [N-]=[N+]=N[C@@H]1CCN(C(=O)[C@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)C1 2234170815 HAKRYCLBOHBBBT-VFCFLDTKSA-N 278.268 0.552 10 10 CCCE CN1C(=O)[C@H](O)c2ccc(N3C[C@@H](O)C[C@H](F)C3)cc21 2234673901 YENXNKRSWHKXDV-GMOODISLSA-N 280.299 0.606 10 10 CCCE C[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)CCCN1 2224779329 NGPOASXYDUBUOS-MRVPVSSYSA-N 266.297 0.627 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H](O)CCC12CC2 2235750121 RJWDDTYIGNFMPP-VIFPVBQESA-N 279.292 0.933 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@H](O)CCC12CC2 2235750120 RJWDDTYIGNFMPP-SECBINFHSA-N 279.292 0.933 10 10 CCCE CNCc1cc(OC)ccc1N1C[C@H]2C[C@@]1(CO)CO2 2235976001 AHHFCXKHYCAHFQ-UKRRQHHQSA-N 278.352 0.755 10 10 CCCE COc1ccc(N2C[C@H]3COC[C@]3(CO)C2)c(N)c1 2226150365 HXCSWBKLPIRTAP-IINYFYTJSA-N 264.325 0.723 10 10 CCCE COc1ccc(N2CC[C@](O)(CO)[C@@H](O)C2)c(F)c1 2226785056 AJGGKJVIXTWOAC-STQMWFEESA-N 271.288 0.129 10 10 CCCE COc1ccc(N2CCC(CO)(CO)C2)c(OC)c1 2226807566 GVYCNHJWRNFMAR-UHFFFAOYSA-N 267.325 0.885 10 10 CCCE CSc1ncc(CNC(=O)[C@H]2CC[C@H](O)CN2)s1 2257010291 AMLRBYBXHFPHEM-IONNQARKSA-N 287.410 0.594 10 10 CCCE COCCN(C[C@@H](C)O)C(=O)c1cc(O)c(O)c(O)c1 2287968300 ZFZSIZSWSXVYQX-MRVPVSSYSA-N 285.296 0.273 10 10 CCCE OCC(F)(F)C1(O)CN(c2ccc3c(c2)OCCO3)C1 2288525769 NAEIFNJHBQBKNO-UHFFFAOYSA-N 287.262 0.637 10 10 CCCE Nc1ccc(CCN2C[C@@H]3OCC[C@]3(CO)C2)cc1 2278858993 IEXLQZGTSGHMKH-LSDHHAIUSA-N 262.353 0.895 10 10 CCCE CCC(CO)(CO)C(=O)NCCc1ccc(O)c(O)c1 2279228898 SXURKVXMRYREOS-UHFFFAOYSA-N 283.324 0.138 10 10 CCCE CCCNC=C1C(=O)NC(=S)N(CC(C)C)C1=O 2295113169 COMYHOMMRSEWHS-UHFFFAOYSA-N 269.370 0.769 10 10 CCCE COc1cc(OC)c(N2CCOC[C@H](O)C2)cc1OC 2289450919 WRXSCEVFYIKTCJ-SNVBAGLBSA-N 283.324 0.910 10 10 CCCE CC(C)(O)CNC(=O)C=Cc1ccc(O)c(O)c1 2308001891 ZQDPBGBNNHZVFP-UHFFFAOYSA-N 251.282 0.998 10 10 CCCE COc1ccc(N2C[C@@H]3C[C@H]2[C@H](O)[C@H](O)C3)c(N)c1 2330371785 YEUMGNJYTSSYEO-XAGKMFGPSA-N 264.325 0.598 10 10 CCCE CN[C@@H](C)c1ccc(N2C[C@@H]3NC(=O)O[C@@H]3C2)cc1O 2355586008 MMHQDTLMXWNWBJ-LJUAHTATSA-N 277.324 0.970 10 10 CCCE COCCOCOC(=O)COc1ccc(N)cc1 310858243 BZFUKDDACTWBDL-UHFFFAOYSA-N 255.270 0.811 10 10 CCCE O=C(N[C@H]1C[C@H]2CNC[C@@H]1C2)c1cc(O)c(O)c(O)c1 2356975395 UCSWOJNJPTVEBN-HGNGGELXSA-N 278.308 0.531 10 10 CCCE C[C@H](c1c(O)cccc1O)N1CCO[C@H](C(=O)O)C1 300442947 SIRUUICHIVADDC-KCJUWKMLSA-N 267.281 0.944 10 10 CCCE O=C(N[C@H]1CCCNC1=O)c1cccc(O)c1O 126373966 RENDLVDWBRXCAM-QMMMGPOBSA-N 250.254 0.106 10 10 CCCE Nc1c(I)ccc([C@H](N)CO)c1O 72199721 DOEYZCPQOHUMCB-ZCFIWIBFSA-N 294.092 0.571 10 10 CCCE NC(=O)[C@H]1COCCN1c1ccc(/C=C\C(=O)O)cc1 312180246 UOHZDDKJJLNYPH-GCLPIYDQSA-N 276.292 0.475 10 10 CCCE C[C@@H]1CN(c2ccc(CN)cc2F)C[C@@H](CO)O1 229945516 INQXSNHLOWBRPJ-KOLCDFICSA-N 254.305 0.870 10 10 CCCE Nc1ccc(CS(=O)(=O)NCc2ccno2)cc1 231876214 IPFYVYUESRBXIV-UHFFFAOYSA-N 267.310 0.876 10 10 CCCE Cn1cncc1CNS(=O)(=O)Cc1ccc(N)cc1 384336113 BNJPDGDPWRBKAL-UHFFFAOYSA-N 280.353 0.622 10 10 CCCE c1cc2c(cc1N1CCN(C3CNC3)CC1)COCC2 2162637268 UOXBHVRJMGICFE-UHFFFAOYSA-N 273.380 0.853 10 10 CCCE O=C(N[C@@H]1C[C@H](C(=O)O)[C@@H]2C[C@H]12)c1cccc(O)c1O 2166185093 PECOVKQMQPNTNE-XFWSIPNHSA-N 277.276 0.937 10 10 CCCE [N-]=[N+]=NC[C@@H]1O[C@H](OCc2ccccc2)[C@H](O)[C@H](O)[C@H]1O 390721708 FTUQJJZKDLPCIS-YYHQMBLXSA-N 295.295 0.321 10 10 CCCE O=C(O)[C@@H]1[C@H]2CN(C(=O)c3cccc(O)c3O)CC[C@H]21 721237030 HSPFRNKYOHLBCQ-HDBBIHSSSA-N 277.276 0.891 10 10 CCCE C[C@H](Cn1cncn1)NC(=O)/C=C/c1ccc(O)c(O)c1 779482970 VXADPEABNQBPBC-RXNUUUNCSA-N 288.307 0.907 10 10 CCCE Nc1ccc(OCCC(=O)N[C@@H]2CCCNC2)cc1 1876513145 DNXKYJSYMASXNL-GFCCVEGCSA-N 263.341 0.906 10 10 CCCE CCOc1cccc(CN2C[C@H](O)C[C@H]2C(N)=O)c1O 895368966 YAMBJWVEAXOSQC-MNOVXSKESA-N 280.324 0.211 10 10 CCCE CS(=O)(=O)N1CC(NCc2ccc(Cl)cc2O)C1 1963495113 PYTZOYPNVGNRLT-UHFFFAOYSA-N 290.772 0.779 10 10 CCCE C[C@@H](NC[C@]1(O)CCN(C)C1)c1c(O)cccc1O 702640842 KCRODNXZUFKDTR-QMTHXVAHSA-N 266.341 0.815 10 10 CCCE Nc1ccc(OC[C@@H](O)CN(CCO)CC2CC2)cc1 688312653 WOPSZIRPKJDTAK-AWEZNQCLSA-N 280.368 0.713 10 10 CCCE OCc1cc(F)c(N2CCC(CO)(CO)C2)c(F)c1 694630150 PDMQPQSETXJRFE-UHFFFAOYSA-N 273.279 0.638 10 10 CCCE COC(=O)[C@@]1(F)CCN(C(=O)Cc2ccc(O)c(O)c2)C1 1445516454 PFIAFAYXXARRCP-CQSZACIVSA-N 297.282 0.754 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CCOC[C@@]12CCOC2 1296960801 GXQRLQAIGBIGGA-HNNXBMFYSA-N 293.319 0.658 10 10 CCCE COc1ccc(N2CC(=O)NC[C@H](C(=O)O)C2)cc1 217065547 HNFQLTSCMSGALM-VIFPVBQESA-N 264.281 0.332 10 10 CCCE COc1ccc(O)c([C@H](C)NC(=O)CCNC(=O)CO)c1 1465993236 PJTJJTRGOXQYAI-VIFPVBQESA-N 296.323 0.077 10 10 CCCE C[C@@H]1CNC[C@H](O)CN1c1ccc2c(c1)OCO2 214572653 HWDOBBNTIXJJAN-KOLCDFICSA-N 250.298 0.574 10 10 CCCE [N-]=[N+]=N[C@@H]1CCCN(CC(=O)N2CCNC2=O)C1 1912159279 GCVWVNYSNYGIKB-MRVPVSSYSA-N 252.278 0.313 10 10 CCCE Cc1cc2c(cc1N(C)C[C@H](O)CO)OCCO2 258987989 MHVHREVIJNDVRI-JTQLQIEISA-N 253.298 0.556 10 10 CCCE CN1CCN([C@H](CN)c2ccc(O)cc2O)CC1 32022418 HSVJIYKBSFKAJI-GFCCVEGCSA-N 251.330 0.345 10 10 CCCE CC1(C)CNC[C@@H](C(=O)NCc2ccccc2O)O1 1966878363 NTMCZNKGQLAUJU-LBPRGKRZSA-N 264.325 0.775 10 10 CCCE COc1cc(C)cc(CN2C[C@@H](C(N)=O)O[C@H](C)C2)c1O 164498676 ZXIHLMNVEKSWKW-MFKMUULPSA-N 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0.081 10 10 CCCE NC(=O)COC1CN(c2ccc3c(c2)CC[C@H]3O)C1 2128318190 JZURGDACXATOFD-CYBMUJFWSA-N 262.309 0.357 10 10 CCCE COC1(C(N)=O)CN(c2ccc3c(c2)CC[C@H]3O)C1 2128314243 DBSOQRUJHZFUCY-GFCCVEGCSA-N 262.309 0.357 10 10 CCCE O=S1(=O)CC[C@H](NCc2ccc(O)cc2O)C1 19899842 CQXAWOMSLUSMBV-VIFPVBQESA-N 257.311 0.375 10 10 CCCE C[C@@H]1CN(c2ccc3c(c2)OCCO3)[C@@H](CO)CN1 251572631 DLQMHLHGUVIMEQ-ZYHUDNBSSA-N 264.325 0.617 10 10 CCCE C[C@H]1C[C@@]1(NC(=O)c1cc(O)c(O)c(O)c1)C(=O)O 2132348404 KZYDNLHXAKCOCF-UJOLQPBBSA-N 267.237 0.396 10 10 CCCE CC[C@@H](CNC(=O)c1cc(O)c(O)c(O)c1)C(=O)O 2132348454 LVUPTQIYVFTZFR-LURJTMIESA-N 269.253 0.644 10 10 CCCE CN1C[C@@H]2C[C@H](C1)N2CC(=O)Nc1ccc(N)cc1 2131080616 JCOMQDOZSWAPDT-BETUJISGSA-N 260.341 0.596 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CC[C@H]2C[C@H]1CO2 2132408605 YBUQFOUUQYIFEB-IUCAKERBSA-N 265.265 0.807 10 10 CCCE [N-]=[N+]=NCCN[C@H](C(N)=O)c1ccnn1C(F)(F)F 2135037321 VXCZDKZFAJTASN-LURJTMIESA-N 277.210 0.786 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N(C)C3CC(O)C3)cc21 1914597097 WSPCXZLKFUQDIC-SRHKJQAYSA-N 261.325 0.622 10 10 CCCE COc1cc(N2CCS(=O)(=O)C[C@@H]2C)ccc1CN 2139697488 VXQMBEMIZLBMQM-JTQLQIEISA-N 284.381 0.777 10 10 CCCE CN1CCCN(C[C@@H](O)COc2ccc(N)cc2)CC1 221868013 ASGVGBDYUGHDJJ-CQSZACIVSA-N 279.384 0.646 10 10 CCCE CNC(=O)[C@@H](C)CN(C)c1ccc(CN)c(OC)c1 2139700484 KIPIJCMLGKKPRQ-JTQLQIEISA-N 265.357 0.972 10 10 CCCE CCNCc1ccc(N2CC(C(N)=O)C2)cc1OC 2139709837 DGZDOIWEGZHSNU-UHFFFAOYSA-N 263.341 0.726 10 10 CCCE CNC(=O)[C@@H](C)N(C)[C@@H](C)C(=O)Nc1ccc(N)cc1 1916816945 WJKYPTONCUMLNR-ZJUUUORDSA-N 278.356 0.662 10 10 CCCE NC1CC2(CCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1917309196 KMAYDTAGEGEKOE-UHFFFAOYSA-N 263.297 0.446 10 10 CCCE C[C@H](N)c1ccc(N2C[C@@H](CO)OC[C@H]2C)cc1O 251563462 BSWAWRRNSCMLEI-SCVCMEIPSA-N 266.341 0.998 10 10 CCCE CN(C)CCN(C)C(=O)[C@@H]1CNc2ccccc2N1 229881405 SLRKXAHNHFDOCL-ZDUSSCGKSA-N 262.357 0.913 10 10 CCCE CNC(=O)[C@@H]1COCCN1CCCc1ccc(N)cc1 122677151 OADQDWKSWYBIFL-AWEZNQCLSA-N 277.368 0.648 10 10 CCCE NC[C@@H]1CC[C@H](C(=O)NCCc2ccc(O)c(O)c2)O1 2148003694 KDHXGVXJZZSGTI-GXFFZTMASA-N 280.324 0.263 10 10 CCCE Cc1cc(Cn2ccc3c(c2=O)CNCC3)c(C)nn1 2150794105 VEZRIMKSKHXSRS-UHFFFAOYSA-N 270.336 0.949 10 10 CCCE CCOC(=O)[C@H](N)[C@@H](OC)c1ccc(O)c(O)c1 1952307205 WTFXZKQIVPKLRT-MNOVXSKESA-N 255.270 0.676 10 10 CCCE CNCC[S@@](C)(=O)=NC(=O)Cc1ccc(O)c(O)c1 1973691177 RDPHOUPDPCBBIA-LJQANCHMSA-N 286.353 0.484 10 10 CCCE C[C@@H](N)c1cnc(SC2=NC(=O)CC(=O)N2)s1 1997407425 SSNOCFKWOVYRQU-SCSAIBSYSA-N 270.339 0.657 10 10 CCCE Nc1ccc(OCCC(=O)O[C@H]2CCS(=O)(=O)C2)cc1 41100857 IKJHODLQMYKXME-LBPRGKRZSA-N 299.348 0.768 10 10 CCCE C[C@H](OC(=O)CCc1ccc(N)cc1)C(=O)NC(N)=O 41101781 PAWOBPKHSBECSR-QMMMGPOBSA-N 279.296 0.328 10 10 CCCE C[C@@H]1CN[C@H](C(=O)NCc2ccc(N(C)C)cc2)CN1 2160469265 FGRCQZGOHYFXOZ-RISCZKNCSA-N 276.384 0.319 10 10 CCCE CNCc1cc(F)c(N2C[C@H]3C[C@H]2[C@@H](O)[C@H]3O)c(F)c1 2160716395 MGUXFGLASCBYHX-SCLYENHESA-N 284.306 0.615 10 10 CCCE CN(Cc1ccc(N)cc1)S(=O)(=O)c1cn(C)cn1 52095938 FBYWJRZIUWFOCD-UHFFFAOYSA-N 280.353 0.823 10 10 CCCE CS(=O)(=O)[C@H]1COC[C@@H]1Nc1ccc(N)cc1 2026337561 HMDKQJFZAOKRAB-QWRGUYRKSA-N 256.327 0.493 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@]12CNC[C@@H]1COC2 2160990002 ACXQDBBZPOYGKY-DOMZBBRYSA-N 276.336 0.587 10 10 CCCE CO[C@H]1C[C@@H](NC(=O)COc2ccc(N)cc2)C1 2029085796 DHGQPHDUESLAPO-KLPPZKSPSA-N 250.298 0.941 10 10 CCCE CCNCc1ccc(N(C)CC(CO)CO)cc1 2033019068 PCQLIKXCSPDZIC-UHFFFAOYSA-N 252.358 0.833 10 10 CCCE C[C@@H](N)c1ccc(N2CC[C@@H](NS(C)(=O)=O)C2)cc1 703140409 XIVAVXOVGQTGKZ-ZYHUDNBSSA-N 283.397 0.834 10 10 CCCE C[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1ccc(O)c(O)c1 712277822 UFIANABEJBWASF-VXNVDRBHSA-N 285.321 0.261 10 10 CCCE C[C@@H]1OCCN(C(=O)Cc2ccc(N)cc2)[C@@H]1C(=O)O 381436176 VPVIWEADJMXNHZ-ZANVPECISA-N 278.308 0.512 10 10 CCCE C[C@@H]1C[C@H](CO)CN(C(=O)c2cc(O)nc(O)c2)C1 398667474 QSMQDDSFCHFSBV-BDAKNGLRSA-N 266.297 0.583 10 10 CCCE COCCOC[C@@H](O)CN1CCc2cc(CN)ccc21 2189918594 QUZMYMMALMQMFB-AWEZNQCLSA-N 280.368 0.532 10 10 CCCE Cc1nc(CNC(=O)COc2ccc(N)cc2)nn1C 2190740503 FVYBCYWQNMCPMD-UHFFFAOYSA-N 275.312 0.401 10 10 CCCE Nc1cc2c(cc1N1C[C@@H]3CC[C@]3(N)C1)NC(=O)CO2 2191542390 NXACTMIFAWQZLQ-RTHLEPHNSA-N 274.324 0.527 10 10 CCCE COC1(CCN)CN(C(=O)CCc2ccc(N)cc2)C1 2191670228 HLDYGKMERYDCIE-UHFFFAOYSA-N 277.368 0.778 10 10 CCCE C[C@H](Cn1cnnc1)NC(=O)CCc1ccc(N)cc1 2186717674 UFDFFNPJMYKHJH-LLVKDONJSA-N 273.340 0.998 10 10 CCCE Oc1ccc(CNC[C@]2(O)CCCOC2)cc1O 2049111042 MMUPQIQIFGGTLA-CYBMUJFWSA-N 253.298 0.729 10 10 CCCE COc1cccc(O)c1CN1CCC(O)(C(=O)O)CC1 2197446092 ZRJVWTVJKBEVCJ-UHFFFAOYSA-N 281.308 0.812 10 10 CCCE C[C@H](N[C@@H]1CS(=O)(=O)C[C@@H]1O)c1ccccc1O 2057722351 ZUHLCIHAMZVEEE-XRNSZHNASA-N 271.338 0.201 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CC2(COC2)C1 2068579084 VWCABMMGIMMGQB-UHFFFAOYSA-N 251.238 0.276 10 10 CCCE Cc1cc(N2CC[C@H](O)C[C@@H]2CO)ccc1CO 2080491058 BQABMPQDFHUSKK-KGLIPLIRSA-N 251.326 0.809 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)[C@@H]2CO[C@H]3COC[C@@H]23)C1 2101883666 ARGIZMVVYNVJGB-MMWGEVLESA-N 266.301 0.807 10 10 CCCE [N-]=[N+]=NCC1(CNC(=O)C2COCCOC2)CC1 2083288929 FPXDYXRTPAZIIS-UHFFFAOYSA-N 254.290 0.856 10 10 CCCE O=C(NC[C@@H](CO)C(F)(F)F)c1ccc(O)c(O)c1 2105262767 RTKZKEAURDVRDO-ZETCQYMHSA-N 279.214 0.998 10 10 CCCE CN(CCCN=[N+]=[N-])[C@@H]1CC(CO)(CO)C[C@@H]1O 2085478793 FOCXJXWDSZIULA-ZJUUUORDSA-N 258.322 0.113 10 10 CCCE CN(C(=O)[C@H]1OCC[C@@H]1C(=O)O)c1ccc(N)cc1 2106427347 BUPJACIYAFWNCI-QWRGUYRKSA-N 264.281 0.721 10 10 CCCE C[C@H]1[C@H](N)CCCN1C(=O)Cc1ccc(O)c(O)c1 2087725458 VJRKQYWRVJADKO-GXSJLCMTSA-N 264.325 0.979 10 10 CCCE CC[C@H](CS(C)(=O)=O)Nc1c(N)cccc1C(N)=O 2090097976 VZIJDHGUXHBJRE-MRVPVSSYSA-N 285.369 0.603 10 10 CCCE O=c1c2c(ccn1CCCCS(=O)(=O)O)CCNC2 2094398813 DJCAUEIUWXHRFD-UHFFFAOYSA-N 286.353 0.162 10 10 CCCE COc1ccc(CNCC2(C)CS(=O)(=O)C2)c(O)c1 2096550907 GFOMYJGKFGIVMD-UHFFFAOYSA-N 285.365 0.925 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC2(CC2)C[C@@H]1CO 2099086664 CCFLIJVWOYJLAQ-SECBINFHSA-N 264.281 0.480 10 10 CCCE COc1ccc2c(c1)NC(=O)[C@@H]1[C@@H](OC)[C@@H](OC)CN21 2205450796 PRQSMMUUMPMALD-AVGNSLFASA-N 278.308 0.866 10 10 CCCE CN(CCCCOc1nnc(=N)[nH]n1)C(=O)OC(C)(C)C 2209555667 IHGAPGPYURSRET-UHFFFAOYSA-N 298.347 0.705 10 10 CCCE CN(C(=O)C1=C[C@@H](O)[C@@H](N)C1)c1cncc(Cl)n1 2219206417 SDBNDISVDVPGLJ-JGVFFNPUSA-N 268.704 0.111 10 10 CCCE C[C@@H](c1ccc(O)cc1O)N1CCOC2(CNC2)C1 2272931159 QOAOOQSBJVMMPO-JTQLQIEISA-N 264.325 0.833 10 10 CCCE COc1ccc(N(C)C2CS(=O)(=O)C2)c(C=O)c1 2220427806 CTVFZKRTPLZSLW-UHFFFAOYSA-N 269.322 0.741 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)[C@@H]2CC[C@@H]3CNC[C@@H]3O2)C1 2273687130 FQOAWEYGSARAKE-JKKYPKHBSA-N 266.341 0.019 10 10 CCCE Cc1cc([C@H](C)N)ccc1N1CC(=O)NC(=O)[C@@H]1C 2232093255 DWNDQRWAOCXBHR-UWVGGRQHSA-N 261.325 0.866 10 10 CCCE Cc1cc([C@@H](C)O)ccc1N1CC[C@](O)(CO)C1 2223976894 BDORYOZRZIWYLL-BXUZGUMPSA-N 251.326 0.982 10 10 CCCE CNCc1cc(OC)ccc1N1CC(=O)N[C@@H]2CC[C@H]21 2235964654 UNGNBEGBEDSJDR-TZMCWYRMSA-N 275.352 0.882 10 10 CCCE CNC(=O)[C@@H]1COCCN1c1ccc(OC)cc1CN 2235966384 RWWVDAHQWLPMGX-ZDUSSCGKSA-N 279.340 0.105 10 10 CCCE CN(C)c1ccc(O[C@]2(C(=O)O)CNCCOC2)cc1 2237685455 UBGJGVUBNSHYRH-CQSZACIVSA-N 280.324 0.575 10 10 CCCE N[C@H]1C[C@H](S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)C1 2227904099 IUEUEEWPDSQAJM-FKQCQYRASA-N 287.297 0.532 10 10 CCCE Cc1cc(N2C[C@@H](O)[C@H](CO)C2)ccc1[C@@H](C)O 2257465531 OPRUOQKMIOIYRH-UHIISALHSA-N 251.326 0.838 10 10 CCCE COc1cc(OC)c(N2C[C@H](O)[C@H](O)C2)cc1Cl 2258081568 IRSNDOAPZOECIY-AOOOYVTPSA-N 273.716 0.899 10 10 CCCE Nc1ccc(OCC(=O)N[C@@H]2COC(=O)C2)cc1 2264175332 ZMAHTAOLNGGJPI-VIFPVBQESA-N 250.254 0.079 10 10 CCCE C[C@H](c1ccccc1O)N(C)C(=O)C(C)(CO)CO 2264542735 AWZKMPIKVCYOCH-SNVBAGLBSA-N 267.325 0.903 10 10 CCCE Cc1cc(N2CCOC[C@H]2[C@H](O)CO)ccc1[C@@H](C)O 2285176468 ORYCABIOBDIOLR-BYCMXARLSA-N 281.352 0.607 10 10 CCCE CCN(CCN=[N+]=[N-])S(=O)(=O)C[C@@H]1CCC1=O 2300529582 CHJKBDIVQRHQEH-QMMMGPOBSA-N 260.319 0.928 10 10 CCCE COC(=O)[C@H](NCCN=[N+]=[N-])[C@@H]1C[C@@H]2CC[C@H]1O2 2309368976 VQFXAUNMKBAEKO-SGIHWFKDSA-N 254.290 0.995 10 10 CCCE CCN1CC(CNCc2ccc(O)c(O)c2O)C1 2319702998 RBHRPOAPTHLSEP-UHFFFAOYSA-N 252.314 0.845 10 10 CCCE O=C(NC[C@@H]1C[C@H]2CC[C@@H]1N2)c1cccc(O)c1O 2330512788 AUZQWSVECPVMOI-NGZCFLSTSA-N 262.309 0.968 10 10 CCCE C[C@@H](c1c(O)cccc1O)N1CC[C@@H](N)[C@H](CO)C1 2331004806 LRCVAJGJJRBZIP-GARJFASQSA-N 266.341 0.800 10 10 CCCE COc1cccc(CN2C[C@H]3CS(=O)(=O)[C@@H]3C2)c1O 2336554655 VNJZUDZNMGAVMA-CMPLNLGQSA-N 283.349 0.630 10 10 CCCE CN(C(=O)[C@@H]1COC[C@H]1C(=O)O)c1ccc(N)cc1 2338415666 GIWVDSATIRLKJC-GHMZBOCLSA-N 264.281 0.579 10 10 CCCE O=c1nc(CN2CCc3cc(O)c(O)cc3C2)[nH]o1 2341206429 HBHOGIMLRSGEFK-UHFFFAOYSA-N 263.253 0.332 10 10 CCCE O=C(N[C@]12C[C@](C(=O)O)(C1)C2)c1cc(O)nc(O)c1 2344177912 SQBMFVUOSUAPCX-TXEJJXNPSA-N 264.237 0.230 10 10 CCCE C[C@@H](CCN)C(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 129398666 VCQJBIDWXSNRRA-WCBMZHEXSA-N 296.323 0.195 10 10 CCCE C[C@H]1CCNC[C@@H]1NC(=O)c1cccc(O)c1O 126112637 FDADUWNXTHCWLV-WPRPVWTQSA-N 250.298 0.826 10 10 CCCE C[C@@H](CN1CCOCC1)NCc1ccc(O)c(O)c1 36932817 KQIAWVDBHCPKEL-NSHDSACASA-N 266.341 0.908 10 10 CCCE O=C(O)CCS(=O)(=O)Nc1ccc(O)c(F)c1 85201046 IUALUBVFUBAQKG-UHFFFAOYSA-N 263.246 0.748 10 10 CCCE Nc1ccc(NC(=O)N[C@H]2C=CS(=O)(=O)C2)cc1 40166780 XKYYOEHRIPMQAH-JTQLQIEISA-N 267.310 0.701 10 10 CCCE Nc1ccc(CS(=O)(=O)NCCc2cnc[nH]2)cc1 87538068 QUNIDLRRCAOVFK-UHFFFAOYSA-N 280.353 0.654 10 10 CCCE C[C@H]1CO[C@H](CO)CN1C[C@@H](O)COc1ccc(N)cc1 221074893 CVHGDXICAXCGJP-LNSITVRQSA-N 296.367 0.090 10 10 CCCE COCc1nc(-c2cn[nH]c2N)sc1C(=O)O 157750019 JURJCMRVZCLICW-UHFFFAOYSA-N 254.271 0.960 10 10 CCCE O=C(CC1OCCO1)NCc1c(O)cccc1F 928709005 VGVHPZNJOIWBBO-UHFFFAOYSA-N 255.245 0.911 10 10 CCCE CCO[C@@H]1CS(=O)(=O)C[C@@H]1OCc1ccc(N)cc1 697080267 BKTTXGYLCFUWCH-OLZOCXBDSA-N 285.365 0.988 10 10 CCCE Cc1ccc(O)c(CNC(=O)C[C@H](C)NC(N)=O)c1 862754372 BUYSAPKSNAJCQW-VIFPVBQESA-N 265.313 0.764 10 10 CCCE CN(C[C@@H]1CCCN1)S(=O)(=O)Cc1ccc(N)cc1 1876170811 BIDPSBYHINVUOO-ZDUSSCGKSA-N 283.397 0.782 10 10 CCCE CC(=O)c1cc(F)cc(CN2CC(=O)N(C)C2)c1O 779205050 PCGSUENLITYRPP-UHFFFAOYSA-N 266.272 0.965 10 10 CCCE C[C@H](NC(=O)[C@@H]1CCOC[C@@H]1N)c1ccccc1O 1877579233 VBYJJPAWTZNLPB-WCQGTBRESA-N 264.325 0.933 10 10 CCCE CCOC(=O)[C@H](N)C(=O)N[C@H](C)c1ccccc1O 1877578257 KHOADNVOFFRREK-LDYMZIIASA-N 266.297 0.460 10 10 CCCE OC[C@H](C[C@@H]1CCOC1)NCc1ccc(O)c(O)c1 1883200958 GHUAXMRYEQEJKI-RYUDHWBXSA-N 267.325 0.975 10 10 CCCE COc1cc(NS(=O)(=O)c2cn[nH]c2)ccc1O 797820091 FYLIQNQYPAPEIS-UHFFFAOYSA-N 269.282 0.925 10 10 CCCE Cc1nc(CNC(=O)c2c(F)ccc(O)c2O)n[nH]1 1161883659 HIPLVIAWXBZHNX-UHFFFAOYSA-N 266.232 0.593 10 10 CCCE CS(=O)(=O)C1(C(=O)NCc2ccc(O)cc2O)CCC1 1162279305 ZZKMEIQSJUGCQL-UHFFFAOYSA-N 299.348 0.681 10 10 CCCE CN(C)C[C@@H]1C[C@@H](O)CN1c1ccc(CN)c(F)c1 135229478 IFAHMEQHJSJVGR-QWHCGFSZSA-N 267.348 0.786 10 10 CCCE COCCNC(=O)[C@H](N)c1ccc(OC)cc1O 83398362 HLLMTLCKIBVETP-LLVKDONJSA-N 254.286 0.163 10 10 CCCE COC[C@H](N)c1nnc(-c2cc(O)c(O)c(O)c2)o1 83494114 RQSHTSMWFBWTMT-LURJTMIESA-N 267.241 0.500 10 10 CCCE c1cc(N2CCCNCC2)ccc1CNc1nnn[nH]1 84847209 BXHIIEPTUFGJGA-UHFFFAOYSA-N 273.344 0.612 10 10 CCCE Nc1ccc(OCCCN2C(=O)COCC2=O)cc1 41074498 YZKSRRIPJJTWLS-UHFFFAOYSA-N 264.281 0.423 10 10 CCCE CN1CC[C@H](NS(=O)(=O)Cc2ccc(N)cc2)C1 42544302 JPIPVIGTIIVOGT-LBPRGKRZSA-N 269.370 0.392 10 10 CCCE CCNCc1ccc(N(C)[C@H]2COC[C@H]2O)cc1 708076337 VOGYNUACCWAIBT-UONOGXRCSA-N 250.342 0.992 10 10 CCCE Nc1ccc(NC(=O)CN2CCn3ccnc3C2)cc1 62245346 XAJYEACCFOJHDN-UHFFFAOYSA-N 271.324 0.920 10 10 CCCE COC[C@@](C)(CO)NCc1ccc(OC)cc1O 716872477 MEAGENDOKTXOIB-CYBMUJFWSA-N 255.314 0.888 10 10 CCCE CO[C@@H]1CN(C(=O)c2ccc(O)c(O)c2)C[C@@H]1C(=O)O 690154373 DXFOKFXQRXKYJO-GZMMTYOYSA-N 281.264 0.269 10 10 CCCE Nc1ccc(N2CCN(C[C@@H]3COCCO3)CC2)cc1 690830590 MJCNFZVZAJTGEZ-OAHLLOKOSA-N 277.368 0.806 10 10 CCCE CN(Cc1cn[nH]c1)S(=O)(=O)Cc1ccc(N)cc1 70229264 HAEOUAPSXZQPDU-UHFFFAOYSA-N 280.353 0.954 10 10 CCCE COC[C@@H](CN(C)C(=O)COc1ccc(N)cc1)OC 691351277 AKJDRLJMUNYULS-CYBMUJFWSA-N 282.340 0.767 10 10 CCCE CN(Cc1ccccc1O)C(=O)CCCS(N)(=O)=O 1294673868 SWKSXQPLMDAWLN-UHFFFAOYSA-N 286.353 0.419 10 10 CCCE COc1ccc(N2[C@@H](C)CNC(=O)[C@H]2CCO)cc1 217090975 XCVYHRMGYGYARQ-GXFFZTMASA-N 264.325 0.771 10 10 CCCE CNC(=O)N[C@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1 1633667858 OVZBEDDCUUSXRI-JTQLQIEISA-N 293.323 0.170 10 10 CCCE NC(=O)CCCC(=O)NCc1cc(O)ccc1O 1637126288 RLFPIBZGUBULRN-UHFFFAOYSA-N 252.270 0.370 10 10 CCCE CNC(=O)CCCN(C)C(=O)Cc1ccc(O)c(O)c1 1566455117 LAVIAAPDFNNXOK-UHFFFAOYSA-N 280.324 0.625 10 10 CCCE COC[C@](C)(O)C(=O)NCc1cc(O)ccc1O 1643881952 LRFKBPAVUXINIA-LBPRGKRZSA-N 255.270 0.111 10 10 CCCE Nc1ccc(OC[C@H](O)CN2CCC[C@@H](O)C2)cc1 218329665 DQWUEJISAFAOCJ-CHWSQXEVSA-N 266.341 0.465 10 10 CCCE CS[C@H](CO)[C@H](C)NC(=O)Cc1ccc(O)c(O)c1 1636196855 JBWVZTRDMRUJIB-QPUJVOFHSA-N 285.365 0.869 10 10 CCCE NC(=O)N=Nc1ccc(C(=O)N2CCCNC(=O)C2)cc1 1594240375 PTJUKSUOCNBVEO-UHFFFAOYSA-N 289.295 0.811 10 10 CCCE Nc1ccc(NC(=O)CN2CC3(C=CCO3)C2)cc1 2127306942 NNHVZQLUXBVLNC-UHFFFAOYSA-N 259.309 0.848 10 10 CCCE CCN[C@H]1CCc2cc(N3C[C@H](O)[C@H](O)C3)ccc21 2128300284 YDRVAEHXQPBSHX-SOUVJXGZSA-N 262.353 0.825 10 10 CCCE COC(=O)C[C@H](NC(=O)CCc1ccc(N)cc1)C(=O)O 158152954 DNLJXDPOJDCEBJ-NSHDSACASA-N 294.307 0.334 10 10 CCCE C[C@@H](O)C[C@H]1COCCN1Cc1cc(N)ccc1O 2128860390 UDKFBPFLNSGDQE-MFKMUULPSA-N 266.341 0.946 10 10 CCCE C[C@](O)(CO)[C@H]1CCN(C(=O)Cc2ccc(N)cc2)C1 2202853632 RMVXTNZVBASSJH-WFASDCNBSA-N 278.352 0.403 10 10 CCCE Cc1cccc(N2NC(=O)[C@@H](CCC(=O)O)C2=O)c1 106662914 NMMBNRPICAXRFY-SNVBAGLBSA-N 262.265 0.854 10 10 CCCE CN1C[C@@H]2C[C@H](C1)N2c1ccc2c(c1)NC(=O)[C@@H]2O 2131084586 QVGWZKLLPZSJCL-GBIKHYSHSA-N 259.309 0.565 10 10 CCCE O=C(NCCC[C@@H]1C=NNC1=O)c1cccc(O)c1O 1148219936 HBFAKVMLJGLMRL-MRVPVSSYSA-N 277.280 0.340 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC[C@H](O)C12CCC2 1914438000 SRYIOMMYDXEXCV-VIFPVBQESA-N 264.281 0.622 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3CCC[C@H]3CO)cc21 222099172 FWPFOAZEBVYPMP-GXFFZTMASA-N 261.325 0.624 10 10 CCCE O=C(O)[C@@H]1C[C@@H](O)CCN1Cc1ccc(O)c(O)c1 2136392033 YTEXPXWGSXUSFZ-UWVGGRQHSA-N 267.281 0.508 10 10 CCCE CC[C@@H](C)[C@H](CO)NC(=O)c1cc(O)c(O)c(O)c1 2136489513 XOENYEGHRXUSTF-APPZFPTMSA-N 269.297 0.940 10 10 CCCE Cc1ccc(O)c(CNC[C@H]2CCS(=O)(=O)N2)c1 1967796527 MUKAMWZZBJGVHJ-LLVKDONJSA-N 270.354 0.482 10 10 CCCE NCc1cc(F)c(N2C[C@H](O)[C@H](O)[C@H]2CF)cc1Cl 2140661079 DJOLLHTYJIZLFY-GRYCIOLGSA-N 292.713 0.818 10 10 CCCE COc1cc(N2C(=O)[C@H](C)O[C@H](C)C2=O)ccc1N 2142347243 FMPLPRQBQSCIAC-OCAPTIKFSA-N 264.281 0.944 10 10 CCCE Cn1cnnc1COc1ccc(N2CCNCC2)cc1 148437799 DZLHGUODEBWIRP-UHFFFAOYSA-N 273.340 0.804 10 10 CCCE CN(C)Cc1cc([C@H](O)C2(C(=O)O)CNC2)ccc1O 1951917938 IBVKWEFZCDSGGS-LBPRGKRZSA-N 280.324 0.161 10 10 CCCE COC(=O)[C@@H]1C[C@]1(N)c1cccc([N+](=O)[O-])c1O 1952763943 PPPCCLUUBDCENL-CPCISQLKSA-N 252.226 0.647 10 10 CCCE COc1ccc(CNC[C@@](C)(O)CN(C)C)c(O)c1 131361765 AUSDYCGVYCFAGQ-CQSZACIVSA-N 268.357 0.803 10 10 CCCE C[C@H]1CN(c2ccc3c(c2)N(C)C(=O)[C@@H]3N)CCN1C 131391973 ORNHXOOCOMCLKU-IINYFYTJSA-N 274.368 0.803 10 10 CCCE C[C@@H]1C[S@@](=O)CCN1Cc1cc(N)ccc1O 2004528937 IQUPPNKGZBLSCZ-XLFHBGCDSA-N 254.355 0.927 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC[C@@H]1C1CC1 2144904758 SUTBFWYLKFCFEB-NWDGAFQWSA-N 276.336 0.979 10 10 CCCE CCN[C@@H]1C(=O)Nc2cc(N3CCNC(=O)C3)ccc21 36194161 CHUOZUAXXRHNOM-ZDUSSCGKSA-N 274.324 0.226 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1C[C@H](O)CC2(CCC2)C1 2151348126 RIRKXCNLNQWUKB-SNVBAGLBSA-N 278.308 0.870 10 10 CCCE O=[N+]([O-])c1cc(CO)ccc1N1C[C@@H](CO)C[C@@H]1CO 2146077677 DSYOKJZSDVIOPX-WDEREUQCSA-N 282.296 0.267 10 10 CCCE NC(=O)[C@@H]1CCC[C@@H](NCc2ccc(O)c(O)c2O)C1 2146211242 IUFXKOHOAINUAG-PSASIEDQSA-N 280.324 0.937 10 10 CCCE C[C@]1(C(=O)O)CCC[C@H]1NC(=O)c1cc(O)nc(O)c1 164630791 LPKWMNBGTDEZBQ-OQPBUACISA-N 280.280 0.866 10 10 CCCE COc1cccc(O)c1CNC[C@H]1CN(C)CCN1C 2160700858 JFNNXUADWYOKBH-LBPRGKRZSA-N 279.384 0.736 10 10 CCCE O=S1(=O)C[C@@H]2CN(c3ccc(CO)cc3)C[C@@H]2C1 2027584521 SGKNYDLCNJYDGS-TXEJJXNPSA-N 267.350 0.660 10 10 CCCE Cc1cc(N2C[C@@H](CO)C[C@H]2CO)ccc1CN 2029386157 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Nc1ccc(CS(=O)(=O)N[C@H]2CCNC(=O)CC2)cc1 396727847 BNOSFGWZNDGPIT-GFCCVEGCSA-N 297.380 0.357 10 10 CCCE C[C@H](N)c1ccc(N2CC[C@@H](O)[C@H](CO)C2)cc1O 396817269 WKGSOPWPQKRASD-OUJBWJOFSA-N 266.341 0.591 10 10 CCCE COc1cccc(CN2C[C@H]3OCCN(C)[C@@H]3C2)c1O 769484168 SNDJOGIXAHUTRP-TZMCWYRMSA-N 278.352 0.916 10 10 CCCE Nc1ccc(OCC(=O)N[C@H]2CCOC[C@@H]2CO)cc1 2193255140 FVOYZPSEXZFNTG-GWCFXTLKSA-N 280.324 0.161 10 10 CCCE OC[C@H](O)[C@@H]1COCCN1c1ccc2c(c1)CC[C@@H]2O 2184738961 AETPYXUTAXJFRK-KKUMJFAQSA-N 279.336 0.225 10 10 CCCE Nc1ccc(NS(=O)(=O)N2CCC[C@@H]2CO)cc1 2043597544 WLMOCIOZUCCWAX-LLVKDONJSA-N 271.342 0.382 10 10 CCCE C[C@@]1(C(=O)NCCc2ccc(O)c(O)c2)COCCO1 2199167388 UTCWFLQRXGYKSD-AWEZNQCLSA-N 281.308 0.562 10 10 CCCE COc1cc(C(=O)N[C@@H](C)CCN)cc(OC)n1 2048069280 XFWPNUCLANBSPF-QMMMGPOBSA-N 253.302 0.566 10 10 CCCE Nc1cc2c(cc1N1CCC[C@@H](N)CC1)NC(=O)CO2 2191611794 VHAOPAGKIONKIE-SECBINFHSA-N 276.340 0.917 10 10 CCCE NC(=O)[C@H]1OCC[C@@H]1NCc1c(O)cccc1Cl 2053788084 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CN(C)c1ccc([C@@H](O)C(=O)c2ncn(C)n2)cc1 2090854989 RBVORSMWSLMUEE-LLVKDONJSA-N 260.297 0.797 10 10 CCCE CC[C@H](c1ccccc1O)N1C[C@H](O)[C@@H](O)[C@H]1C(=O)O 2200864311 QEBZZHWBGREPEK-LPTSXCQYSA-N 281.308 0.334 10 10 CCCE COc1cc(N2CC3(C2)OCCC[C@@H]3O)ccc1CN 2204536838 BYGSFWGJQGQQFQ-AWEZNQCLSA-N 278.352 0.884 10 10 CCCE CC(=O)c1ccc(O)c(CN2C[C@H](O)[C@@H](O)[C@H]2CF)c1 2205617689 ISQAFEJVIOSXMD-XBFCOCLRSA-N 283.299 0.470 10 10 CCCE CN[C@@H]1CCc2cc(N3C[C@H](O)[C@@H](O)[C@@H]3CF)ccc21 2205610566 KPZLLFJBEIZIHA-QPSCCSFWSA-N 280.343 0.773 10 10 CCCE COc1cc(C)c(N2CC[C@](O)(CO)[C@H](O)C2)cc1C 2235105002 FELODHFSGLWBFU-CABCVRRESA-N 281.352 0.606 10 10 CCCE O=C1Nc2cc(N3C[C@@H](O)C[C@@H](F)C3)ccc2[C@@H]1O 2226282372 AKGOFSPBJYPFHH-FDOIEUKUSA-N 266.272 0.581 10 10 CCCE Nc1ccc(NC(=O)N2C[C@@H](CO)C[C@@H](CO)C2)cc1 2236632690 GJALBCWPBIGMIJ-PHIMTYICSA-N 279.340 0.723 10 10 CCCE O=C(NCCO[C@@H]1CCCNC1)c1ccc(O)c(O)c1 2290028394 XXBIZEGEHOPKAK-LLVKDONJSA-N 280.324 0.596 10 10 CCCE Cc1cc(N2CCOC[C@H]2[C@@H](O)CO)ccc1[C@H](C)N 2285255931 DPNGMYLDRDKDDS-CQDKDKBSSA-N 280.368 0.573 10 10 CCCE COc1cc(OC)c(N(C)[C@H]2COC[C@H]2O)cc1OC 2289449144 XDZSWYSRIBPMPF-WDEREUQCSA-N 283.324 0.908 10 10 CCCE CCN(CCN=[N+]=[N-])C(=O)[C@@H]1CO[C@@H]2COC[C@@H]21 2315990542 ZTQYQXHGDNWMOL-OPRDCNLKSA-N 254.290 0.807 10 10 CCCE N[C@H]1C[C@@H]2C[C@H]1C[C@@H]2NC(=O)c1cccc(O)c1O 2329593105 PAHFXZREEMZARI-UUTMEEIUSA-N 262.309 0.953 10 10 CCCE O=C(N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2O)c1cc(O)nc(O)c1 2330909981 YQBAXHHTIFISQC-MFDQJXRNSA-N 264.281 0.382 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H]2C[C@H](O)[C@H]1C2 2331869014 RXGVNUBXHMZTFG-ZQARSLAVSA-N 265.265 0.399 10 10 CCCE Nc1ccc(CCN2CC[C@@H]3C[C@H]2[C@H](O)[C@H]3O)cc1 2332600175 ZJXINJOPTFWSGH-UNQGMJICSA-N 262.353 0.627 10 10 CCCE NCc1ccc(N2C[C@H](O)C[C@@H](O)C2)cc1C1CC1 2339157217 GNHWSBAACSPHJQ-ZIAGYGMSSA-N 262.353 0.955 10 10 CCCE NC[C@H]1C[C@H]1C(=O)N1CCc2cc(O)c(O)cc2C1 2341200585 GHALAWHJTJKYKW-MWLCHTKSSA-N 262.309 0.577 10 10 CCCE C[C@H](C(=O)N(C)C)N1CCc2cc(O)c(O)cc2C1 2341216880 QYVTYYNWIZLMOV-SECBINFHSA-N 264.325 0.933 10 10 CCCE C[C@H]1CC(NCCN=[N+]=[N-])(C(N)=O)C[C@H](C)S1(=O)=O 2352662637 QHUYDIZLGSJAGH-YUMQZZPRSA-N 289.361 0.096 10 10 CCCE NC[C@@H]1C[C@@H]2CC[C@H]1N2C(=O)COc1ccc(N)cc1 2357174426 FADLMQUBFXJTRQ-VHRBIJSZSA-N 275.352 0.986 10 10 CCCE C[C@@H](NCCN1C(=O)CNC1=O)c1ccc(F)c(F)c1O 187917847 DNMAQOJLBMHLDK-SSDOTTSWSA-N 299.277 0.873 10 10 CCCE COc1ccc(O)c(CN2CCN([C@H](C)C(=O)O)CC2)c1 86754062 LMIACZHVQVTLKP-LLVKDONJSA-N 294.351 0.992 10 10 CCCE CCN[C@H]1C(=O)Nc2cc(N(C)CC(N)=O)c(Cl)cc21 723174317 AYUMOPJMYJYPEF-GFCCVEGCSA-N 296.758 0.864 10 10 CCCE COc1ccc(O)c(CNC(=O)[C@@H](O)C(C)(C)O)c1 901129304 DEJJOZZBHIPIIQ-LLVKDONJSA-N 269.297 0.149 10 10 CCCE CN1CC[C@@H](C(=O)NCc2ccc(O)cc2O)C1 910945972 GMIVQTAOWYGCPP-SNVBAGLBSA-N 250.298 0.666 10 10 CCCE O=S(=O)(NCCCSc1nccs1)C1CNC1 923608947 DPDRBSBVZQIVFC-UHFFFAOYSA-N 293.439 0.517 10 10 CCCE Nc1ccc(OCCC(=O)NCCN2CCC2)cc1 697402702 OCMSXKAKQFNXOW-UHFFFAOYSA-N 263.341 0.860 10 10 CCCE CCC[C@@H]1COC[C@]1(NCCCN=[N+]=[N-])C(N)=O 699457758 PGUIAKFNOGPQCJ-MWLCHTKSSA-N 255.322 0.947 10 10 CCCE O=C(N[C@H]1CCS(=O)(=O)C1)N1Cc2cccc(O)c2C1 864416365 SBXYAHILIQRMSR-JTQLQIEISA-N 296.348 0.605 10 10 CCCE CN(C[C@@H]1COCCN1)C(=O)Nc1ccc(N)cc1 1876152458 GLHSADJATABESW-GFCCVEGCSA-N 264.329 0.721 10 10 CCCE NC[C@H]1C[C@H](O)CN1C(=O)CCc1ccc(N)cc1 1876671788 BQKFBRLVILEPOK-OLZOCXBDSA-N 263.341 0.122 10 10 CCCE NC(=O)N1C[C@H]2C[C@H]1CN2Cc1cc(F)ccc1O 1877018244 MLMYXRNDODHCRR-MNOVXSKESA-N 265.288 0.869 10 10 CCCE O=C(NC[C@]1(CO)CCCO1)c1ccc(O)c(O)c1 1879596924 WWGLHBXMEXYQRM-ZDUSSCGKSA-N 267.281 0.369 10 10 CCCE CC[C@@H](OC(=O)COc1ccc(N)cc1)C(N)=O 61678530 WKGVPZBCNVVRIP-SNVBAGLBSA-N 252.270 0.455 10 10 CCCE CCc1nnc([C@@H](N)c2ccc(O)c(O)c2O)o1 83384254 VHSISLUEFZKVPR-QMMMGPOBSA-N 251.242 0.797 10 10 CCCE CC(C)(O)c1nnc([C@@H](N)Cc2ccc(O)c(O)c2)o1 83588836 WKGWAWQJQFSPIT-QMMMGPOBSA-N 279.296 0.951 10 10 CCCE CC[C@@H]1CN(C(=O)c2ccc(O)c(O)c2)C[C@@H]1N 399988887 SOQCZDLUYGJLIC-SCZZXKLOSA-N 250.298 0.907 10 10 CCCE CO[C@@H]1CN(C(=O)c2ccc(O)c(O)c2)C[C@H]1C(=O)O 690154376 DXFOKFXQRXKYJO-LDYMZIIASA-N 281.264 0.269 10 10 CCCE CCOC1(CN)CN(C(=O)c2ccc(O)c(O)c2)C1 2116361711 XOYFEUYFQTZJLC-UHFFFAOYSA-N 266.297 0.288 10 10 CCCE CO[C@H]1COC[C@@H]1N(C)CCOc1ccc(N)cc1 2120772516 BAZLPDZGXUUAHL-KBPBESRZSA-N 266.341 0.993 10 10 CCCE CN(Cc1nncn1C)C(=O)c1c(F)ccc(O)c1O 1611423281 CBOWOMWNMUONSC-UHFFFAOYSA-N 280.259 0.638 10 10 CCCE C[C@@H]1CNC(=O)CN1CC(=O)c1ccc(O)c(O)c1 2124762784 UTLCJWRZTKMLMG-MRVPVSSYSA-N 264.281 0.101 10 10 CCCE C[C@H]1OC(=O)N[C@@H]1C(=O)NCc1ccc(O)cc1O 1630307661 YYEQKSGOAISQLE-LDWIPMOCSA-N 266.253 0.211 10 10 CCCE CN1C(=O)C[C@@H](N2CCC[C@@H](CN=[N+]=[N-])C2)C1=O 1912190927 LFTYGGOBGVCBMT-DTWKUNHWSA-N 251.290 0.766 10 10 CCCE [N-]=[N+]=N[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(C3CC3)C2)C1 1912169724 OBXFZAKLPYZNTN-DTWKUNHWSA-N 263.301 0.909 10 10 CCCE C[C@@H](C(=O)NCc1cc(N)ccc1O)S(C)(=O)=O 167829747 SUAOAQHUCIDPCX-ZETCQYMHSA-N 272.326 0.024 10 10 CCCE COc1ccc(N2CC[C@@H](NCCO)C2)c(OC)c1 259489771 ZUFHCNXWPVXHKO-LLVKDONJSA-N 266.341 0.864 10 10 CCCE C[C@H]1CC(=O)CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2132409440 FQWHFFOWMCZKGD-ZETCQYMHSA-N 265.265 0.855 10 10 CCCE CCOC(=O)CC1(NC(=O)c2cccc(O)c2O)COC1 1148220127 SBUCVFXLALPQOE-UHFFFAOYSA-N 295.291 0.550 10 10 CCCE Cc1cccc(CNS(=O)(=O)[C@H](CO)C2CC2)c1O 2139757024 CKDZPBRQUPVOKY-GFCCVEGCSA-N 285.365 0.891 10 10 CCCE Nc1ccc(OCCN2C[C@H](O)[C@H](O)[C@H]2CF)cc1 2140660805 BRGQEOZIBAMZSL-FRRDWIJNSA-N 270.304 0.023 10 10 CCCE C[C@H](N[C@@H]1CC(=O)N(C)C1=O)c1cc(F)ccc1O 127654529 KZNDKCPJBWBGDH-OIBJUYFYSA-N 266.272 0.939 10 10 CCCE O=C(O)[C@@H]1C(=O)NCC[C@H]1c1cccc(O)c1O 1952080977 IAPPLSBHGRBFHE-RCOVLWMOSA-N 251.238 0.402 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N3CC[C@H](N(C)C)C3)cc21 131388661 GVROFVMPPLKMQO-FZMZJTMJSA-N 274.368 0.803 10 10 CCCE Nc1ccc(NC(=O)CN2C[C@H](CO)C3(CC3)C2)cc1 2144090924 NULWGLOEHAXFKH-LLVKDONJSA-N 275.352 0.912 10 10 CCCE O=C(O)C(F)(F)C1(O)CN(Cc2c(O)cccc2F)C1 1974211551 RMPILTWCYIBNLT-UHFFFAOYSA-N 291.225 0.798 10 10 CCCE CN[C@H](C)c1ccc(N2CC(OCC(N)=O)C2)cc1O 2145377686 QBXVSMLQTDDOTD-SECBINFHSA-N 279.340 0.363 10 10 CCCE Nc1ccc(Cc2n[nH]c(=O)n2[C@@H]2CCOC2)cc1 161031315 MGNSDZRFRXOVNE-LLVKDONJSA-N 260.297 0.706 10 10 CCCE CN(C)c1ccc([C@@]2(N)CCS(=O)(=O)C2)cc1 1999508251 IYBMMOMIYNILSM-GFCCVEGCSA-N 254.355 0.725 10 10 CCCE Cc1nsc([C@@H](NCCCN=[N+]=[N-])C(N)=O)n1 2020563380 QBRPJFURORJSGI-LURJTMIESA-N 255.307 0.663 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@H]2CCCC[C@@H]2O)cc1 51993385 WJRXYWGKUSNNKQ-STQMWFEESA-N 284.381 0.992 10 10 CCCE O=C1OCCN1CCNCc1ccc(O)cc1O 2030150658 HBKVWGVOBQKICZ-UHFFFAOYSA-N 252.270 0.640 10 10 CCCE C[C@H](C(=O)O)S(=O)(=O)N(C)Cc1ccc(N)cc1 2031611523 ZCHOJYRGZWNRGB-MRVPVSSYSA-N 272.326 0.504 10 10 CCCE CN(C)[C@@H]1CCN(c2ccc3c(c2)NC(=O)[C@@H]3N)C1 62966076 LVJXPVPWGZLCRP-ZWNOBZJWSA-N 260.341 0.779 10 10 CCCE O=C(O)C[C@@H]1C(=O)NCCN1Cc1c(O)cccc1F 2160794560 RAINTHYSYPHWJO-SNVBAGLBSA-N 282.271 0.306 10 10 CCCE COc1cc(N)c(N2CC[C@](O)(CO)C2)cc1OC 313662124 YFLIDHOBWCXAEV-CYBMUJFWSA-N 268.313 0.220 10 10 CCCE COc1ccc(CN2CCOC[C@H](C(=O)O)C2)c(O)c1 700374161 GSGZWWZWZOKYNB-LLVKDONJSA-N 281.308 0.934 10 10 CCCE C[C@@H](CS(C)(=O)=O)NC(=O)COc1ccc(N)cc1 81901428 DWPIXIQSCOGYFB-VIFPVBQESA-N 286.353 0.197 10 10 CCCE CCN1CCc2cc([C@@H](Cn3cnnc3)NN)ccc21 2163156013 LCOAUMJNHZCMMN-CYBMUJFWSA-N 272.356 0.865 10 10 CCCE CNCc1ccc(N(C)[C@@H]2COC[C@H]2O)c(C)c1 708056927 RKBHBWBGSAEVHJ-ZIAGYGMSSA-N 250.342 0.910 10 10 CCCE Cn1cnnc1CN1CCN(c2ccc(N)cc2)C1=O 708563909 HAUYCRLHNHSOQU-UHFFFAOYSA-N 272.312 0.840 10 10 CCCE Nc1ccc(O)c(CN2CCC3(CC2)CNC(=O)N3)c1 2177692164 SMJMQJCQNYTDJS-UHFFFAOYSA-N 276.340 0.622 10 10 CCCE CNCc1ccc(N2CCC[C@@](O)(C(N)=O)C2)c(Cl)c1 383620025 GGPAQFWMJNJUSD-AWEZNQCLSA-N 297.786 0.876 10 10 CCCE O=C(c1cccc(O)c1O)N1CCC[C@@](O)(C(=O)O)C1 386395084 CNHKAINEBOANTM-ZDUSSCGKSA-N 281.264 0.150 10 10 CCCE C[C@H](NC(=O)CCc1ccc(N)cc1)[C@@H](O)CO 698972235 VIPYWSNPJWLEOU-CABZTGNLSA-N 252.314 0.059 10 10 CCCE Nc1cccc(C(=O)O)c1N[C@@H]1CCNC[C@@H]1O 2071715584 BGMNVJZKJUAOMC-ZJUUUORDSA-N 251.286 0.102 10 10 CCCE COc1ccc(O)c([C@H](C)N[C@@H]2CCO[C@@H]2C(N)=O)c1 2174104449 TXWKKYHWDSFFSL-KDDOJWQBSA-N 280.324 0.694 10 10 CCCE Nc1ccc(CC(=O)N2C[C@H]3[C@@H](C[C@H]3C(=O)O)C2)cc1 2174315788 KOJYNQRXQHYEEZ-UHTWSYAYSA-N 274.320 0.990 10 10 CCCE Cc1cc(O)n2ncc(C(=O)N[C@H](CO)CC(C)C)c2n1 2065026668 LMPGUSWFSATVGG-JTQLQIEISA-N 292.339 0.880 10 10 CCCE Nc1ccc(CC(=O)N[C@@H]2CCOC[C@H]2C(=O)O)cc1 2176109038 WZAIKIIFMZTLLJ-VXGBXAGGSA-N 278.308 0.417 10 10 CCCE C[C@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1ccc(O)c(O)c1 2170320886 ZWCBKDIIJJUHJI-DTWKUNHWSA-N 299.348 0.745 10 10 CCCE CN(c1ccc2c(c1)NC(=O)[C@@H]2N)[C@H]1CCCNC1=O 2171079756 SUBPAWLSXFNSPB-NWDGAFQWSA-N 274.324 0.353 10 10 CCCE CCNCc1ccc(N2CC3(C2)OC[C@H](O)[C@@H]3O)cc1 2183631163 GYGFSYCRQRLOSG-KBPBESRZSA-N 278.352 0.107 10 10 CCCE CO[C@@H]1CS(=O)(=O)C[C@H]1N1CCc2cc(CN)ccc21 2189922293 YNOSWWBAPYTXCR-ZIAGYGMSSA-N 296.392 0.320 10 10 CCCE Oc1ccc(CNC[C@H]2COCCCO2)c(O)c1O 2097717113 DUGWCBIQDKRSBZ-JTQLQIEISA-N 269.297 0.699 10 10 CCCE N[C@@H]1CCc2cc(N3CC[C@]4(CNC(=O)N4)C3)ccc21 2184723564 OIDFXSBBAUNCJW-HIFRSBDPSA-N 272.352 0.894 10 10 CCCE CC[C@H](O)CN(C)CC(=O)c1ccc(O)c(O)c1 2044579137 NQBDNKPTNRSDAT-JTQLQIEISA-N 253.298 0.983 10 10 CCCE CON1CC[C@@H](NC(=O)c2ccc(O)c(O)c2)C1 2054400924 KDJJNLQLMIYWSS-SECBINFHSA-N 252.270 0.463 10 10 CCCE COCC(O)(CNCc1ccc(N)cc1)COC 2055702962 MIJVBCGUDCNIKB-UHFFFAOYSA-N 254.330 0.382 10 10 CCCE C[C@H](N)[C@@H](O)C(=O)N(C)[C@H](C)c1ccccc1O 2056838543 LIYDJPBEBKFBSX-YGOYTEALSA-N 252.314 0.620 10 10 CCCE Nc1ccc(CCC(=O)N2CC[C@H](N)[C@@H](CO)C2)cc1 2191720737 ROQVBAPJFVWPQT-OCCSQVGLSA-N 277.368 0.370 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC2(CC[C@H]2O)C1 2059149873 ZLBIZSYKBKHUFM-MRVPVSSYSA-N 250.254 0.090 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC[C@@H](O)[C@H]2C2CC2)cc1 2187153935 JTVQYBMRCAWYIC-ZIAGYGMSSA-N 296.392 0.944 10 10 CCCE CO[C@H](C)[C@H](C)NC(=O)c1cc(O)c(O)c(O)c1 2068622954 CBKNWKBIWYSSCY-NKWVEPMBSA-N 255.270 0.957 10 10 CCCE CN(C(=O)CN1C[C@H]2C[C@H]1CN2C)c1ccc(N)cc1 2187563432 ARABGGOYLMENBF-KGLIPLIRSA-N 274.368 0.620 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@@H]3C[C@]3(N)C2)cc1 2071733772 KGPIMQLQTDOBCN-JQWIXIFHSA-N 267.354 0.132 10 10 CCCE C[C@@H](NC(=O)c1c(CN)nnn1C)c1ccccc1O 2192623482 BLBVDVDRXBOLQM-MRVPVSSYSA-N 275.312 0.470 10 10 CCCE CC(=O)c1ccc(O)c(CN2CC[C@H](O)[C@@](C)(O)C2)c1 2201510576 FUFLWPIASYDLTA-GJZGRUSLSA-N 279.336 0.912 10 10 CCCE NC(=O)[C@H]1[C@H]2CN(c3ccc(CO)cc3F)C[C@H]21 2081418745 OPSSCALXLSSPTI-BZBKMWRSSA-N 250.273 0.486 10 10 CCCE NCc1ccc(N2C[C@H]3C[C@H]2[C@H](O)[C@H]3O)c(F)c1F 2104414943 NFVRGRSWGDDNCG-RUNRMZSQSA-N 270.279 0.354 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CC[C@@H](O)[C@H](F)C3)ccc21 2088307513 ZVDOBPYRNVTNHE-JLLWLGSASA-N 265.288 0.548 10 10 CCCE CNCc1ccc(N2CC(OCC(N)=O)C2)c(C)c1 2089131746 SXPBFDQTIBPNAO-UHFFFAOYSA-N 263.341 0.405 10 10 CCCE COc1cc(N2CC[C@@H]([C@@](C)(O)CO)C2)ccc1CN 2204541682 QKNPNYIFHPIRRW-DOMZBBRYSA-N 280.368 0.724 10 10 CCCE [N-]=[N+]=N[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cccnn1 2218745676 NIPQFOKVYMNIQF-SFYZADRCSA-N 268.302 0.986 10 10 CCCE COc1ccc(N(C)[C@H]2COC[C@@H]2O)cc1OC 2219639996 AWOGZBSDBCZGKK-QWRGUYRKSA-N 253.298 0.900 10 10 CCCE Cc1cc([C@@H](C)O)ccc1N1C[C@H]2C[C@H]1[C@H](O)[C@@H]2O 2232100378 LKGFCMLGXQHUAV-PHCVXZPVSA-N 263.337 0.979 10 10 CCCE COc1ccc(N2C[C@@H]3[C@@H](CO)CO[C@H]3C2)c(C=O)c1 2235986021 HBGIFWJBVHIRQI-LNSITVRQSA-N 277.320 0.951 10 10 CCCE COc1ccc(N2C[C@@H]3OCCN(C)[C@@H]3C2)c(CO)c1 2236001547 HGCISTGLNZKZKN-CABCVRRESA-N 278.352 0.707 10 10 CCCE OC[C@@]1(O)CCN(c2ccc3c(c2)CCC3)C[C@H]1O 2226748792 OVMVNOYAKCSTPH-CABCVRRESA-N 263.337 0.470 10 10 CCCE COC[C@H]1C[C@H](CN)N(Cc2ccc(O)c(O)c2)C1 2273885756 QENTVUVJDAWGGL-NWDGAFQWSA-N 266.341 0.893 10 10 CCCE Nc1ccc(OCCC(=O)N[C@@H]2[C@H]3CN[C@@H]2C3)cc1 2333046663 FAONDCNAARDNIH-GAJTVXKRSA-N 261.325 0.514 10 10 CCCE Cc1cc([C@@H](C)N)ccc1N1C[C@@H]2C[C@H]1[C@H](O)[C@H]2O 2333977542 UKVUEUUWPDCTCM-PPTOVHHBSA-N 262.353 0.945 10 10 CCCE Nc1ccc(CC(=O)OCC2(O)CCOCC2)cc1 2335631221 RRBUHTPFFCAVKX-UHFFFAOYSA-N 265.309 0.896 10 10 CCCE CS(=O)(=O)[C@H](C(=O)N1CC[C@H](CN=[N+]=[N-])C1)C1CC1 2336006317 FLBRPOJBHKHDLD-SCZZXKLOSA-N 286.357 0.968 10 10 CCCE Nc1ccc(CC(=O)N2C[C@H]3CS(=O)(=O)[C@@H]3C2)cc1 2336522450 LJSJMHJPHBIPMO-CMPLNLGQSA-N 280.349 0.067 10 10 CCCE Nc1ccc(OCC(=O)N[C@@H]2C[C@@H]3C[C@H]2C[C@@H]3O)cc1 2355718535 BXLMBMCBCCLLEC-ZNIXKSQXSA-N 276.336 0.923 10 10 CCCE CC(C)(C)OC(=O)N1C(=O)[C@@H](N=[N+]=[N-])C[C@H]1C(N)=O 105641834 FMNFKSXDCMCETP-WDSKDSINSA-N 269.261 0.687 10 10 CCCE O=C(N[C@H]1CCCCNC1)c1cccc(O)c1O 126677995 QORCLQQNTCUCPR-VIFPVBQESA-N 250.298 0.970 10 10 CCCE CN1CCO[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)C1 180724195 BTHWJVAZQXDYAD-OGOUPESXSA-N 292.335 0.558 10 10 CCCE CC[C@H]1SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C1=O 72412553 TWTVQFRGCXSHKJ-NTSWFWBYSA-N 291.350 0.943 10 10 CCCE NC(=O)[C@@H]1CCCN(c2cc3c(cc2N)OCC(=O)N3)C1 35452670 RXSMPUDYFMSFPU-MRVPVSSYSA-N 290.323 0.301 10 10 CCCE COC(=O)c1cccc(N)c1N[C@@H]1CCS(=O)(=O)C1 130018824 SQTWYMUBZGUYGH-MRVPVSSYSA-N 284.337 0.654 10 10 CCCE CN1CC[C@@H](CN(C)C[C@@H](O)COc2ccc(N)cc2)C1 221332591 SCSZMSNPESUDCB-UKRRQHHQSA-N 293.411 0.892 10 10 CCCE O=C(O)[C@H](Cc1ccc(O)c(O)c1)N1CCCC1=O 40225854 LYAKZMXOVNDVCA-VIFPVBQESA-N 265.265 0.716 10 10 CCCE COC(=O)CCN(C)S(=O)(=O)Nc1ccc(O)cc1 88768934 ICEAUSSOVJDKPI-UHFFFAOYSA-N 288.325 0.544 10 10 CCCE Nc1cc(O)ccc1NS(=O)(=O)N1CCCC1 236348848 JKQXIYSLBSXWNM-UHFFFAOYSA-N 257.315 0.727 10 10 CCCE C[C@@H]1CNCC[C@@H]1NC(=O)c1ccc(O)c(O)c1 235286802 WAUAKGWMVOMPDU-SCZZXKLOSA-N 250.298 0.826 10 10 CCCE N[C@@H]1CCN(c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 50244063 SLLAPCRNWFBTEE-MRVPVSSYSA-N 265.269 0.903 10 10 CCCE CS(=O)(=O)[C@H]1CSCCN1CCN=[N+]=[N-] 90923362 HMWCCQHYYUJLDY-ZETCQYMHSA-N 250.349 0.716 10 10 CCCE [N-]=[N+]=N[C@H](O)[C@@H]1O[C@H](OCc2ccccc2)C[C@H](O)[C@@H]1O 381764656 MXHAQMCTKATYEI-JZRPKSSGSA-N 295.295 0.669 10 10 CCCE COc1cc(C(=O)N[C@@H]2CCCNCC2)cc(OC)n1 2166940591 LNHISBKIDMAYPG-LLVKDONJSA-N 279.340 0.971 10 10 CCCE COC[C@](C)(O)CCNCc1cc2c(cc1O)OCO2 824559030 CUHLZTMABOORKD-CQSZACIVSA-N 283.324 0.998 10 10 CCCE COc1cccc([C@H](C)NCCc2nnnn2C)c1O 846146805 LOOIJAFTWUFSIP-VIFPVBQESA-N 277.328 0.818 10 10 CCCE Cn1ncc(CCC(=O)NCc2ccccc2O)n1 857472252 QWZZOYHSSCSZCF-UHFFFAOYSA-N 260.297 0.770 10 10 CCCE CCON(CC)C(=O)CNC(=O)NCc1ccccc1O 858710802 TZYSCLSSYDDLBC-UHFFFAOYSA-N 295.339 0.991 10 10 CCCE OCc1ccc(N2C[C@H](O)C[C@@H]2CO)c(Cl)c1 698121952 FYNBMZIGSMWFGF-NXEZZACHSA-N 257.717 0.764 10 10 CCCE CO[C@H]1CS(=O)(=O)C[C@H]1N(C)Cc1ccc(N)cc1 696815829 RCNYSADBUKQDOR-OLZOCXBDSA-N 284.381 0.513 10 10 CCCE NC(=O)N1CC(CNCc2c(O)cccc2F)C1 1875453921 NVELQRHOPPGMJP-UHFFFAOYSA-N 253.277 0.631 10 10 CCCE Nc1ccc(CS(=O)(=O)NCC2(N)CCCC2)cc1 1876416881 CQNZFTNBUITSDR-UHFFFAOYSA-N 283.397 0.960 10 10 CCCE C[C@@H](CO)N(C)C(=O)/C=C\c1ccc(O)c(O)c1 779485359 KCNAVEUSWBMHBK-RNEXMXFGSA-N 251.282 0.950 10 10 CCCE Cc1noc(CCNC(=O)Cc2ccc(O)c(O)c2)n1 1142440296 LQOCFAXGQRGXAF-UHFFFAOYSA-N 277.280 0.691 10 10 CCCE O=C(N[C@@]12CCNC[C@@H]1C2)c1cc(O)c(O)c(O)c1 1891124095 USCWGPCREDMXFA-ISVAXAHUSA-N 264.281 0.285 10 10 CCCE C[C@H](Cc1ccc(O)c(O)c1)Nc1cc(=O)n(C)c(O)n1 1163031673 RKULQOGPUNYORD-MRVPVSSYSA-N 291.307 0.940 10 10 CCCE COC1CN(S(=O)(=O)Cc2ccc(N)cc2)C1 393839811 UHTWMJFACJXQPI-UHFFFAOYSA-N 256.327 0.429 10 10 CCCE CN(CCCNc1ccc(N)cc1)S(C)(=O)=O 692524769 XTLFICCGBQDIFW-UHFFFAOYSA-N 257.359 0.962 10 10 CCCE NS(=O)(=O)CCCCNCc1cc(F)cc(F)c1O 708558946 NXAWEKPPKITWOP-UHFFFAOYSA-N 294.323 0.829 10 10 CCCE CCc1ncc(S(=O)(=O)NCc2cc(N)ccc2O)[nH]1 70418363 TWKDNWRLNLXWAD-UHFFFAOYSA-N 296.352 0.738 10 10 CCCE Cc1cc(CN)ccc1N1C[C@@H](O)C[C@]1(C)CO 698199523 PKTGGWMUGRIINV-GXTWGEPZSA-N 250.342 0.776 10 10 CCCE COc1ccc(CN[C@H](CO)CNC(=O)C2CC2)cc1C 1278032986 DZBZFRPXAOHGED-AWEZNQCLSA-N 292.379 0.980 10 10 CCCE CNC(=O)N[C@H]1CCN(C(=O)c2ccc(C)c(O)c2O)C1 1611253565 MLVZBCKYQSPBLD-VIFPVBQESA-N 293.323 0.550 10 10 CCCE CN1CCN(c2ccc3c(c2)OCO3)C[C@@H]1CO 214565693 KPETZBQREMGBEO-LLVKDONJSA-N 250.298 0.528 10 10 CCCE COc1ccc(N2CC(=O)N[C@H](CN)C2)cc1Cl 217239632 DAORSYHBRDLOME-MRVPVSSYSA-N 269.732 0.612 10 10 CCCE CCC[C@H](O)[C@@H](CO)NC(=O)Cc1ccc(O)c(O)c1 1626167626 WFPGYCPEWDDTOA-MNOVXSKESA-N 283.324 0.278 10 10 CCCE CCOC(=O)[C@]1(NCCN=[N+]=[N-])CCNC[C@H]1OC 1912145511 IBVFSQQFHCPQCA-KOLCDFICSA-N 271.321 0.197 10 10 CCCE O=C(CN1C[C@@H]2[C@H](CO)[C@@H]2C1)c1ccc(O)c(O)c1 2125590578 PBPJSOYIPFJQCK-JGPRNRPPSA-N 263.293 0.451 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)N1CCC(O)CC1 1914096704 ZEAOIPUQUOWMFI-UHFFFAOYSA-N 280.324 0.807 10 10 CCCE COC(=O)[C@H](C)CS(=O)(=O)N1CCC(N=[N+]=[N-])CC1 2127234555 CSHOICDZHUUEAU-MRVPVSSYSA-N 290.345 0.900 10 10 CCCE NC(=O)[C@]1(O)CCN(c2ccc3c(c2)CC[C@@H]3O)C1 2128317302 DCMHMNPFZXOUOT-JSGCOSHPSA-N 262.309 0.093 10 10 CCCE O=C1CC[C@H](NCc2cccc(F)c2O)C(=O)N1 158802690 AYZVVBISSBETEF-VIFPVBQESA-N 252.245 0.426 10 10 CCCE NC[C@H]1CCC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2132399597 GVUSYCMRCDZKPB-VXNVDRBHSA-N 266.297 0.661 10 10 CCCE C[C@H](NC(=O)c1cc(O)c(O)c(O)c1)c1nc[nH]n1 2132348674 QIWDLYMQZFUOMP-YFKPBYRVSA-N 264.241 0.413 10 10 CCCE C[C@H](CCNC(=O)c1cc(O)c(O)c(O)c1)C(=O)O 2132348785 SCDBFUYOERKJAR-ZCFIWIBFSA-N 269.253 0.644 10 10 CCCE CNC(=O)[C@H](C)N(C)c1ccc(CO)c([N+](=O)[O-])c1 2132057173 ALJUHEKEXRSDDE-QMMMGPOBSA-N 267.285 0.658 10 10 CCCE CCN(CCC(N)=S)C(=O)c1cc(O)c(O)c(O)c1 2132400416 MNYMDRQDDZKVKA-UHFFFAOYSA-N 284.337 0.942 10 10 CCCE CC1(O)CN(c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 1917247365 QOTQFCBLUMFMKT-UHFFFAOYSA-N 266.253 0.937 10 10 CCCE CN[C@H](C)c1ccc(N2CC(CO)(CO)C2)c(F)c1 1914971479 UYWUPNSPYJZGQT-SNVBAGLBSA-N 268.332 0.897 10 10 CCCE CNC(=O)C1(NCc2cc(OC)ccc2O)CC1 1967771509 HXDVWLVNLQXXJH-UHFFFAOYSA-N 250.298 0.769 10 10 CCCE N[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)CCC1(F)F 1925140852 IPTBLCICUZXYGZ-MRVPVSSYSA-N 287.266 0.691 10 10 CCCE CN(C)C[C@@H]1C[C@H](O)CN1c1ccc(CN)c(F)c1F 234237517 RWCGBJOLUXLFGU-QWRGUYRKSA-N 285.338 0.925 10 10 CCCE NN[C@H](c1ccccc1O)[C@@H]1CCS(=O)(=O)C1 1942391357 PAKFYVLBOWIEQN-KCJUWKMLSA-N 256.327 0.331 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1C[C@H]2C[C@@]2(C(=O)O)C1 2144018772 KCSPMWSBPYXCBJ-YMTOWFKASA-N 277.276 0.573 10 10 CCCE CO[C@H](C)[C@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)O 2144028973 GCXBKKBXZYMDSL-KRTXAFLBSA-N 283.280 0.245 10 10 CCCE COC(=O)[C@@H]1CNC[C@@H]1Cc1ccc(O)c(O)c1 1951603278 XRLVZZYNCYVYPX-VHSXEESVSA-N 251.282 0.649 10 10 CCCE COc1cc(C2(C(=O)O)CC(N)C2)cc(O)c1O 1952711925 CKMWAYNBUFQNOA-UHFFFAOYSA-N 253.254 0.550 10 10 CCCE NC(=O)COC1CCN(c2ccc(CO)cc2F)CC1 2145372517 UQLMPBLBACPCMF-UHFFFAOYSA-N 282.315 0.789 10 10 CCCE Nc1ccc(NC[C@H]2[C@@H]3CS(=O)(=O)C[C@H]23)cc1 2006165489 HMSVGNGNIHAOBU-CNDDSTCGSA-N 252.339 0.971 10 10 CCCE C[C@@H]([C@@](C)(NCCN=[N+]=[N-])C(=O)O)S(C)(=O)=O 2004026450 KCJVLRMFVCYIFT-POYBYMJQSA-N 264.307 0.163 10 10 CCCE CN(C)C(=O)[C@H]1COCCN1Cc1cc(N)ccc1O 2155017828 XJHBTIGTBFYRBF-GFCCVEGCSA-N 279.340 0.263 10 10 CCCE CC(C)N(C)S(=O)(=O)NCCOc1ccc(N)cc1 49042173 SCHBYKXYRWTBFV-UHFFFAOYSA-N 287.385 0.822 10 10 CCCE O=C(N[C@H]1CC[C@H](CO)C1)c1cccc(O)c1O 2029532837 FEKDLHOQEUIYPK-IUCAKERBSA-N 251.282 0.989 10 10 CCCE COC1(CO)CN(c2cc3c(cc2Cl)[C@H](N)C(=O)N3)C1 2157304018 OEPYMDYYVGKJSA-NSHDSACASA-N 297.742 0.489 10 10 CCCE CN(CCOc1ccc(N)cc1)CCn1cnnc1 707670821 WTVXFCZUEPDZGS-UHFFFAOYSA-N 261.329 0.871 10 10 CCCE NCc1cc(F)c(N2CC(CC(N)=O)C2)c(F)c1 382180559 LPELYEZJFSLTGZ-UHFFFAOYSA-N 255.268 0.735 10 10 CCCE CS(=O)(=O)[C@@H]1CCCN(Cc2cc(N)ccc2O)C1 388792143 RZLDTHYFGKRSIQ-GFCCVEGCSA-N 284.381 0.983 10 10 CCCE C[C@H](CNC(=O)c1cc(O)nc(O)c1)C[C@@H](C)N 721634661 VAELHMPQMZJRLU-JGVFFNPUSA-N 253.302 0.596 10 10 CCCE CN[C@H](C)CCNC(=O)COc1ccc(N)cc1 2071683490 WGFBQRTWOUNPIM-SNVBAGLBSA-N 251.330 0.762 10 10 CCCE NCc1ccc(N2CC[C@@H](O)[C@H](CO)C2)c(Cl)c1 396897490 UOGQQURCQZYASQ-GXFFZTMASA-N 270.760 0.978 10 10 CCCE CN1CC2(CCN(c3ccc4c(c3)NC(=O)[C@@H]4N)C2)C1 398733839 WNAWBBKRLPBREL-CYBMUJFWSA-N 272.352 0.780 10 10 CCCE CC[C@@H]1CN(c2cc3c(cc2N)OCC(=O)N3)C[C@@H]1O 399970690 DXWAAHXWOUOHIR-PELKAZGASA-N 277.324 0.807 10 10 CCCE Oc1cccc(F)c1CN1CCO[C@H]2CNC[C@H]21 2042638837 QTNIYJNVQWPBTF-YPMHNXCESA-N 252.289 0.704 10 10 CCCE COc1cc(N)c(N2CC[C@H](OCCN)C2)cc1OC 2191614787 JNNFXNSXDSVNEU-JTQLQIEISA-N 281.356 0.840 10 10 CCCE CCOC(=O)c1cccc(N)c1N[C@H]1CCNC[C@H]1O 2191736554 KQKOCEQOGJAVHI-NWDGAFQWSA-N 279.340 0.580 10 10 CCCE CS[C@@H](CO)[C@H](C)Nc1c(N)cccc1C(N)=O 2046434024 SAPHPAUMSQOTOH-XVKPBYJWSA-N 269.370 0.892 10 10 CCCE N[C@@H]1CCOC[C@@H]1C(=O)NCc1ccccc1O 2055958579 VSDUQAHYLWYAOB-WDEREUQCSA-N 250.298 0.372 10 10 CCCE O=S1(=O)C[C@@H](NCc2c(O)cccc2Cl)[C@@H](O)C1 2057717368 YIONPLKKRYYXJD-KOLCDFICSA-N 291.756 0.293 10 10 CCCE COC(=O)[C@H](CN(C)Cc1ccccc1O)NC(C)=O 2192592996 VRBTUTGLONJLOE-LBPRGKRZSA-N 280.324 0.502 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN1CC(=O)N1CCOCC1 2059053294 LKLMQBQIXACELF-SNVBAGLBSA-N 253.306 0.620 10 10 CCCE C[C@@H](NC(=O)c1cccc(O)c1O)c1nnc(CO)s1 2192601088 ULLYYEXQGVZYGD-ZCFIWIBFSA-N 295.320 0.933 10 10 CCCE C[C@@H](CN)[C@@H](C)NC(=O)c1cc(O)c(O)c(O)c1 2068625483 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CC1(C)NCC[C@H]1CNC(=O)c1cc(O)nc(O)c1 2105949457 XLJJKHXEKBIESO-VIFPVBQESA-N 265.313 0.611 10 10 CCCE COC[C@H](N)CC(=O)NCCc1ccc(O)c(O)c1 2092795764 XPQBLZMXRGLIAU-SNVBAGLBSA-N 268.313 0.120 10 10 CCCE NC[C@@]12CC[C@H]1CN(C(=O)COc1ccc(N)cc1)C2 2201357588 PXFJGCVHEQHFSI-XHDPSFHLSA-N 275.352 0.845 10 10 CCCE [N-]=[N+]=NCCCNC1(C(N)=O)[C@H]2CCC[C@H]1COC2 2112824587 BKIVHFILWPXIKI-UWVGGRQHSA-N 267.333 0.947 10 10 CCCE CO[C@@H]1CS(=O)(=O)C[C@H]1OCCc1ccc(N)cc1 2119730932 QBHNPKRVUSWUCK-CHWSQXEVSA-N 285.365 0.640 10 10 CCCE CCNCc1ccc(N2C[C@@H](O)C[C@H]2CO)cc1OC 2204554208 LMNHIAVGQDMOAD-KBPBESRZSA-N 280.368 0.737 10 10 CCCE O=C(N[C@@H]1CCC[C@@H](O)[C@@H]1O)c1cccc(O)c1O 2224351435 XJYDMNXKSLJPDB-HLUHBDAQSA-N 267.281 0.102 10 10 CCCE COc1ccc(N2CC[C@H](NS(C)(=O)=O)C2)c(CN)c1 2235967090 BOCDTACUARGKIE-NSHDSACASA-N 299.396 0.282 10 10 CCCE O[C@@H]1CN(c2ccc3c(c2)OCCO3)[C@H]2COC[C@@H]12 2226762392 OQYNCPLZLWGULI-GRYCIOLGSA-N 263.293 0.654 10 10 CCCE O=C(NC[C@@H](F)[C@@H]1CCOC1)c1cc(O)c(O)c(O)c1 2238296997 HLUXZALLGYDMOW-VXNVDRBHSA-N 285.271 0.908 10 10 CCCE CC1(C)OCCN(C(=O)c2ccc(O)c(O)c2)[C@H]1CN 2282814220 LGTPZUJJTBJQKW-LBPRGKRZSA-N 280.324 0.676 10 10 CCCE CN(CCN=[N+]=[N-])C(=O)[C@@H](C1CC1)S(C)(=O)=O 2299469827 INSKNQKMCQZPKL-MRVPVSSYSA-N 260.319 0.578 10 10 CCCE COc1ccc(N2C[C@H]3C[C@H]2[C@H](O)[C@H]3O)c(OC)c1C 2295377273 CRBPUXWENOVBES-OJDJGZDQSA-N 279.336 0.943 10 10 CCCE Nc1ccc(O)c(CN2C[C@@H]3CC[C@H](CO)O[C@@H]3C2)c1 2289173477 PNSVVVRYRHWYRH-PSOPSSQASA-N 278.352 0.946 10 10 CCCE CC(C)N1C(=O)C(=CNCc2ccco2)C(=O)NC1=S 2296943244 UDSXLXBOHRKANP-UHFFFAOYSA-N 293.348 0.905 10 10 CCCE CC1(CNS(=O)(=O)Cc2ccc(N)cc2)CC(N)C1 1876403037 CKHVHWVLXINXEG-UHFFFAOYSA-N 283.397 0.816 10 10 CCCE NC[C@@H]1CCN(CC(=O)c2ccc(O)c(O)c2)C1 50250455 JEEGYIITTVCYJN-VIFPVBQESA-N 250.298 0.561 10 10 CCCE COc1ncc([C@H](NCCCN=[N+]=[N-])C(N)=O)s1 310851303 JCLQHSQFCCLAQL-ZETCQYMHSA-N 270.318 0.968 10 10 CCCE CCNC(=O)CN(CC)Cc1cc(N)ccc1O 42367446 BKVFOVAUNJHCTH-UHFFFAOYSA-N 251.330 0.932 10 10 CCCE C[C@@H](COC(=O)CCc1ccc(N)cc1)C(N)=O 41101820 RBIBRALXAOIGST-VIFPVBQESA-N 250.298 0.866 10 10 CCCE C[C@@H](c1cc(O)ccc1O)N1CCO[C@@H](C(=O)O)C1 226450677 SESSNWNQDSADFA-QPUJVOFHSA-N 267.281 0.944 10 10 CCCE CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](N)CC(=O)O 85815874 HREJKYFIQCEQJU-CYBMUJFWSA-N 293.367 0.903 10 10 CCCE CCNC(=O)[C@@H]1CNCCN1Cc1ccc(OC)cc1O 89088909 BTPOLJRMJWKBPF-ZDUSSCGKSA-N 293.367 0.311 10 10 CCCE O=C1CN(c2c(F)cc(CNC3CC3)cc2F)CC(=O)N1 97269764 GCFFMISJZAHNIG-UHFFFAOYSA-N 295.289 0.680 10 10 CCCE C[C@H](O)CN1CCN(C(=O)Cc2ccc(N)cc2)C[C@@H]1C 246698770 WBJDJJXNWQSOLR-STQMWFEESA-N 291.395 0.725 10 10 CCCE COC(=O)[C@@H](N)Cc1c(Br)ccc(O)c1O 260878324 SBNASICOEFHINX-ZETCQYMHSA-N 290.113 0.903 10 10 CCCE COc1c([N+](=O)[O-])ccc(CN2C[C@H](O)C[C@H]2CO)c1O 373896599 GOBHYBAGCWUQRM-VHSXEESVSA-N 298.295 0.237 10 10 CCCE CN(C(=O)CN1CC=CCS1(=O)=O)c1ccc(N)cc1 2165847744 JIUSYDWTNTVWCY-UHFFFAOYSA-N 295.364 0.433 10 10 CCCE N[C@@](O)(c1cc(C=O)ccc1O)[C@H](O)C1CCC1 575244389 MNFJGZHLVWOKGH-CHWSQXEVSA-N 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10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@H](CO)CN1CCCC1 1141654683 VEAJVBURUVGNSN-LBPRGKRZSA-N 294.351 0.213 10 10 CCCE Cn1nc(C(=O)NCc2cc(O)ccc2O)cc1O 1153886071 VGFVGLGPWWAQRA-UHFFFAOYSA-N 263.253 0.467 10 10 CCCE CC1(C)OCCO[C@H]1[C@@H](NCCCN=[N+]=[N-])C(N)=O 1889141416 NCFBJXJKLOHWQP-BDAKNGLRSA-N 271.321 0.324 10 10 CCCE CNCc1nnc([C@H](N)c2ccc(O)c(O)c2)o1 83382240 AYTCXKODXCZARQ-SNVBAGLBSA-N 250.258 0.248 10 10 CCCE C[C@H](O)CNC(=O)[C@@H](N)c1ccc(N(C)C)cc1 83385190 QCCYHZJGOPLTBS-CABZTGNLSA-N 251.330 0.249 10 10 CCCE Cc1ccc(O)c([C@@H](C(=O)O)N2C(=O)CCC2=O)c1 83457973 QFXYGLCMMDQRTK-LBPRGKRZSA-N 263.249 0.975 10 10 CCCE COC(=O)CS(=O)(=O)Nc1ccc(O)cc1Cl 85205193 FNYJAFNTNMDQPW-UHFFFAOYSA-N 279.701 0.960 10 10 CCCE C[C@H](NC[C@]1(O)CCN(C)C1)c1c(O)cccc1O 702640839 KCRODNXZUFKDTR-IINYFYTJSA-N 266.341 0.815 10 10 CCCE COCCOC1CN(C(=O)Cc2ccc(N)cc2)C1 707209695 QJVXVWZMOHNPEU-UHFFFAOYSA-N 264.325 0.685 10 10 CCCE COCCNCc1ccc(N(C)[C@@H]2COC[C@@H]2O)cc1 708105713 PJGPRYQNQLXQTG-CABCVRRESA-N 280.368 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O=S1(=O)C[C@H]2NCCN(c3ccc4c(c3)CCC4)[C@@H]2C1 2162669591 WULDIYPKGNTVMD-HUUCEWRRSA-N 292.404 0.751 10 10 CCCE CO[C@@H]1CN(C(=O)Cc2ccc(N)cc2)C[C@H]1C(=O)O 702097793 GZLKMSHHMXEVMJ-VXGBXAGGSA-N 278.308 0.369 10 10 CCCE CN(C)c1ccc([C@H](N)C2(O)CC(S(C)(=O)=O)C2)cc1 2163142467 BPFVNSONGRGDCO-MOKVOYLWSA-N 298.408 0.691 10 10 CCCE C[C@@H]1CN(C)C[C@@H]([C@@H](NN)c2ccc(N(C)C)cc2)O1 2163141878 ZCPFBPZWCDVPHT-UGFHNGPFSA-N 278.400 0.976 10 10 CCCE CO[C@H]1C[C@H]1C(=O)N1CCN(c2ccc(N)cc2)CC1 709656036 FYTDNPAQNVNNRF-KGLIPLIRSA-N 275.352 0.952 10 10 CCCE CCOC(=O)[C@]1(NCCN=[N+]=[N-])CO[C@]2(CCOC2)C1 2178945081 MHINNYXBZWERIR-VXGBXAGGSA-N 284.316 0.768 10 10 CCCE CC(=O)c1ccc(O)c(CN2CC(CC(N)=O)C2)c1 382511198 RMQGHFSWZURCNF-UHFFFAOYSA-N 262.309 0.902 10 10 CCCE OCCN1CCC[C@H](NCc2ccc(O)c(O)c2)C1 384297991 AXKKKAAWPOFWRP-LBPRGKRZSA-N 266.341 0.644 10 10 CCCE C[C@@H]1[C@H](CO)CCN1CC(=O)Nc1ccc(N)cc1 385928342 ULMOGVSDROSVCD-MNOVXSKESA-N 263.341 0.910 10 10 CCCE CNCc1ccc(N2CC(=O)N[C@@H](C)C2)c(F)c1 387308988 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10 10 CCCE [N-]=[N+]=N[C@H]1CCCN(S(=O)(=O)c2nc[nH]n2)C1 2009217430 DOUPEFJQOGOVCL-LURJTMIESA-N 257.279 0.268 10 10 CCCE O=C1COCC(=O)N1CCc1ccc(O)c(O)c1 2031077596 FYZOUJDAMCPEMF-UHFFFAOYSA-N 251.238 0.026 10 10 CCCE C[C@H](C(=O)Nc1ccc(N)cc1)N1CCNC(=O)CC1 62099686 WROHXVYBDHGHRQ-SNVBAGLBSA-N 276.340 0.418 10 10 CCCE CS(=O)(=O)CC1CN(c2ccc(CN)c(F)c2)C1 2041504248 XRWGABLANUYXMF-UHFFFAOYSA-N 272.345 0.765 10 10 CCCE O=C(NC1COCCOC1)c1ccc(O)c(O)c1 310891283 ZAQTVLKAQLUBEU-UHFFFAOYSA-N 253.254 0.243 10 10 CCCE CCNC(=O)C[S@](=O)Cc1cc(CNC)ccc1OC 312231234 KSHOFWLDHMHXDA-HXUWFJFHSA-N 298.408 0.799 10 10 CCCE C[C@H](c1ccc(O)cc1O)N1CC(N2CCNCC2)C1 90308400 GAFCZBHFXWPYPI-LLVKDONJSA-N 277.368 0.748 10 10 CCCE CN(C)C[C@H](O)CN(C)c1c(F)cc(CN)cc1F 708533801 QZYIHEHRPYMDCT-JTQLQIEISA-N 273.327 0.782 10 10 CCCE CC(C)[C@H]1C[C@](NCCCN=[N+]=[N-])(C(N)=O)CO1 691245102 VUVLJRSIWGDUDF-MWLCHTKSSA-N 255.322 0.945 10 10 CCCE Nc1ccc(O)c(CNS(=O)(=O)CC(F)(F)F)c1 694047387 SYQLNLRXEYOZIN-UHFFFAOYSA-N 284.259 0.956 10 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C[C@H](O)c1cc(F)c(N2CC(C(N)=O)C2)c(F)c1 2074083003 QGOFDZROQBYLRF-LURJTMIESA-N 256.252 0.940 10 10 CCCE O=C(NC[C@H]1CC(F)(F)CN1)c1cccc(O)c1O 2102803550 IUOIXFRDUBLYKR-SSDOTTSWSA-N 272.251 0.825 10 10 CCCE COc1ccc(N2CCC(N)(C(N)=O)CC2)c(F)c1 2106352551 VBNXJFWJIKCBLQ-UHFFFAOYSA-N 267.304 0.617 10 10 CCCE CCN[C@H](C)[C@H]1CCN1C(=O)c1cc(O)nc(O)c1 2107309594 VLKNIYONYRGIPY-PSASIEDQSA-N 265.313 0.705 10 10 CCCE O=C(N[C@@H]1CNCC12CCC2)c1cc(O)nc(O)c1 2089117768 XKXWDIMQDUJKSI-SECBINFHSA-N 263.297 0.365 10 10 CCCE NC(=O)CO[C@@H]1CCCN(c2ccc(CO)cc2)C1 2089140532 YWJRFIGXINHTCL-CYBMUJFWSA-N 264.325 0.650 10 10 CCCE CCNC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)C1 2089595279 XFTGKCNBIRQMFP-SECBINFHSA-N 265.313 0.564 10 10 CCCE Nc1ccc(OCC(=O)NCC[C@@H](O)C2CC2)cc1 2090455123 WLVFYVXBPHTMRK-CYBMUJFWSA-N 264.325 0.925 10 10 CCCE CO[C@H](C(=O)[C@H]1CCCC(=O)C1=O)[C@@H]1CCCOC1 2093880868 YQRMVBQEIWOEGA-BFVZDQMLSA-N 268.309 0.935 10 10 CCCE O=C(NCCC[C@H]1CCCN1)c1cc(O)nc(O)c1 2095011538 PJNYRZSBAKGTSL-SNVBAGLBSA-N 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COc1cc(N2C[C@@H](CO)C[C@@H](CO)C2)ccc1CO 2236633275 NSQXWJPMWOXCBH-TXEJJXNPSA-N 281.352 0.615 10 10 CCCE C[C@H](C(=O)Nc1ccc(N)cc1)N1CCC12CN(C)C2 2239014400 PNMCJLQGYZUAIB-LLVKDONJSA-N 274.368 0.986 10 10 CCCE CCN[C@@](C)(COc1ccc(N(C)C)cc1)C(N)=O 2229368761 DMBSJNZREQBLDG-AWEZNQCLSA-N 265.357 0.985 10 10 CCCE Cc1cc([C@@H](C)O)ccc1N1CCOC[C@H]1[C@@H](O)CO 2240846597 MVFICOMBHWJFDM-UGFHNGPFSA-N 281.352 0.607 10 10 CCCE Oc1cc2c(cc1CNCC1(O)CSC1)OCO2 2255991489 OWKIIBCTGFFMLS-UHFFFAOYSA-N 269.322 0.688 10 10 CCCE CSc1ncc(CNC(=O)[C@]2(C)CNCCO2)s1 2257024474 XJEAEQNIOSBVGE-NSHDSACASA-N 287.410 0.860 10 10 CCCE CC1(CS(=O)(=O)N2CC[C@@H](N=[N+]=[N-])C2)COC1 2250033835 DMEIXDXBDQEMDQ-MRVPVSSYSA-N 260.319 0.737 10 10 CCCE COc1cc(N2C[C@H]3OCC[C@@]3(CO)C2)ccc1CN 2296448128 HVTPMVTZOOWFJW-CABCVRRESA-N 278.352 0.742 10 10 CCCE CN(C(=O)CN1C[C@@H]2C[C@H](C1)[C@H]2O)c1ccc(N)cc1 2286229202 RLBKAEZTGQRAJK-QHBPRCKVSA-N 275.352 0.544 10 10 CCCE CCS(=O)(=O)N(C)Nc1nc2nccnc2s1 2301547855 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O=S(=O)(Nc1ccc(O)cc1Cl)N1CCNCC1 693911621 CVJDOAYDEPTUIW-UHFFFAOYSA-N 291.760 0.608 10 10 CCCE CCN[C@H](C)c1ccc(N2C[C@H](O)C[C@@H]2CO)cc1O 698129952 LMZPCPAGXBJEKC-RAIGVLPGSA-N 280.368 0.995 10 10 CCCE C[C@H](N)c1ccc(N2C[C@H](O)C[C@@H]2CN(C)C)cc1O 93671943 GAASDPLBNVFPKR-CYZMBNFOSA-N 279.384 0.913 10 10 CCCE CC(=O)C(=O)[C@](C)(O)c1cccc(-n2cnnn2)c1 1919051985 KUOMYFKPUSNDJW-GFCCVEGCSA-N 260.253 0.028 10 10 CCCE CC(=O)C(=O)[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1 1919087225 WZZTXHAXKUKWKQ-CYBMUJFWSA-N 271.313 0.907 10 10 CCCE CCn1nnnc1Sc1ncc(C(=N)N)s1 2246260395 UHTZSZLYSCRDCH-UHFFFAOYSA-N 255.332 0.585 10 10 CCCE C[C@H](N)c1ccc(N2CCO[C@@H]([C@H](C)O)C2)cc1O 2117530313 MIEUTVPDEJYWGG-PKFCDNJMSA-N 266.341 0.998 10 10 CCCE [N-]=[N+]=NCC1(CNS(=O)(=O)N2CCC[C@H]2CO)CC1 2117728398 OWJNONWXEJYILZ-VIFPVBQESA-N 289.361 0.368 10 10 CCCE COc1ccc(N2C[C@H](O)CNC[C@H]2C)cc1OC 217180400 BAGSSARXANXRSJ-ZYHUDNBSSA-N 266.341 0.863 10 10 CCCE Nc1ccc(OCC(=O)NC[C@H]2OCC[C@H]2F)cc1 2122524523 JJKZWZKJXSXIDL-VXGBXAGGSA-N 268.288 0.891 10 10 CCCE CN(c1cc2c(cc1F)[C@@H](O)C(=O)N2)[C@H]1C[C@H](O)C1 2122887193 CUJMBTQPSDFTGR-NQYJQULFSA-N 266.272 0.771 10 10 CCCE COCCCN(CCO)C(=O)Cc1ccc(O)c(O)c1 1638812970 LHAINFVSSZFTLF-UHFFFAOYSA-N 283.324 0.498 10 10 CCCE COc1cccc(CNC(=O)c2cccn3nnnc23)c1O 1566374062 RYVVKVKGASYPDU-UHFFFAOYSA-N 299.290 0.769 10 10 CCCE CO[C@H]1CS(=O)(=O)C[C@H]1N1CCC(N=[N+]=[N-])CC1 1912150887 ZSYWQTKUWRUBCJ-ZJUUUORDSA-N 274.346 0.573 10 10 CCCE CO[C@@H]1CS(=O)(=O)C[C@@H]1N1CCC[C@@H](N=[N+]=[N-])C1 1912170742 BAYAIZKBCDZPSZ-KXUCPTDWSA-N 274.346 0.573 10 10 CCCE COC(=O)[C@@](C)(NCCN=[N+]=[N-])[C@H]1CCCCN1 1912208006 QJTDUSIXQWTLDP-KOLCDFICSA-N 255.322 0.960 10 10 CCCE C[C@H](O)[C@H]1C[C@@H]1NC(=O)CCOc1ccc(N)cc1 2125871016 REZYPHHUMKNVSW-BIMULSAOSA-N 264.325 0.923 10 10 CCCE CN1CCc2cc(CNC(=O)[C@@H]3CCC(=O)N3)ccc21 169815465 CGMXGIBYTLSWGE-LBPRGKRZSA-N 273.336 0.574 10 10 CCCE COCCN(CCO)CC(=O)c1ccc(O)c(O)c1 164407063 NLGBCSUMOSZNCY-UHFFFAOYSA-N 269.297 0.221 10 10 CCCE C[C@H](CO)[C@@H](C)NS(=O)(=O)Cc1ccc(N)cc1 166808726 WKTUJLLNIFFBOI-NXEZZACHSA-N 272.370 0.705 10 10 CCCE C[C@H]1CN(C[C@@H](O)CO)c2cc3c(cc2N1)OCO3 251838492 QFVCTJSPXROYRQ-DTWKUNHWSA-N 266.297 0.389 10 10 CCCE O=[N+]([O-])c1cc(CO)ccc1N1CC[C@@H](O)[C@@H](O)C1 2132178844 VDVKGTFLEBBAMZ-NEPJUHHUSA-N 268.269 0.019 10 10 CCCE CC(C)N1CC(NC(=O)c2cc(O)c(O)c(O)c2)C1 1148590103 XESJSCSSWGQCPC-UHFFFAOYSA-N 266.297 0.626 10 10 CCCE O=C(NC[C@H]1[C@H]2CNCC[C@H]21)c1cc(O)nc(O)c1 2138561051 PNVHLOICBWXZFG-KXUCPTDWSA-N 263.297 0.078 10 10 CCCE CNCc1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CF)c(F)c1 2140661726 IKQFADMLJLJVEJ-RWMBFGLXSA-N 272.295 0.425 10 10 CCCE COC1(C(=O)O)CN([C@@H](C)c2ccc(O)cc2O)C1 1917713675 ALDCANNNCGJAML-QMMMGPOBSA-N 267.281 0.944 10 10 CCCE COc1cccc(O)c1CN1CCO[C@@]2(CCNC2)C1 1967988031 OFUXJTULUNHAOA-OAHLLOKOSA-N 278.352 0.965 10 10 CCCE COc1ccc(N2C[C@@H](C)O[C@@H](CO)C2)c(N)c1 229943731 JUXLEWQWSRRWRI-MWLCHTKSSA-N 252.314 0.863 10 10 CCCE Cc1ccc(CN2C[C@@H](C(N)=O)C[C@@H](N)C2)c(O)c1 2139755914 LQHOWNBRXATLIC-NWDGAFQWSA-N 263.341 0.335 10 10 CCCE CNC(=O)[C@H](C)CN(C)c1ccc([N+](=O)[O-])c(CO)c1 234395052 CAPRVZRTLOILDD-SECBINFHSA-N 281.312 0.905 10 10 CCCE CO[C@H]1CCN(C(=O)c2ccc(O)c(O)c2)[C@H](CN)C1 234831220 FXKYNZFXPYNKTQ-QWRGUYRKSA-N 280.324 0.676 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CCC[C@H]1C1OCCO1 1942006337 UGYXAMUXJHKOQT-VIFPVBQESA-N 280.280 0.470 10 10 CCCE CN(C)S(=O)(=O)CCNCc1ccc(N)cc1 1944061140 FXHKXWGZGKIPEJ-UHFFFAOYSA-N 257.359 0.250 10 10 CCCE NC[C@]1(F)C[C@@H](NC(=O)Cc2ccc(N)cc2)C1 1973907388 BUVPMQJHBVTVBL-BJHJDKERSA-N 251.305 0.757 10 10 CCCE CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)CCN 32132831 BYEUNWOZUNXPFH-UHFFFAOYSA-N 285.413 0.863 10 10 CCCE CN(C(=O)[C@@H](N)Cc1ccc(O)c(O)c1)[C@@H]1CCOC1 159261461 JAKMOVIAFDQDGD-MNOVXSKESA-N 280.324 0.215 10 10 CCCE NC(=O)CN(Cc1ccc(N)cc1)C(=O)[C@H]1CCCO1 35366566 AYWZLGSPNYPISQ-GFCCVEGCSA-N 277.324 0.262 10 10 CCCE CCN[C@H]1C(=O)Nc2cc(N3CC[C@@H]3C(N)=O)ccc21 2145613722 LWSKSOMLSMJMSA-VXGBXAGGSA-N 274.324 0.353 10 10 CCCE CO[C@@H]1CN(c2cc3c(cc2F)[C@H](O)C(=O)N3)C[C@@H]1F 2146473586 MAVWVSBJRBABTP-AXTRIDKLSA-N 284.262 0.984 10 10 CCCE C[C@@H](CS(N)(=O)=O)NCc1ccc2c(c1)CCCN2C 2152961629 RCTAKTWRHUZNTJ-NSHDSACASA-N 297.424 0.836 10 10 CCCE C[C@H](c1ccccc1O)N(C)C(=O)[C@H]1CNCCO1 43799417 DTGGUXRUJOWBKI-ZWNOBZJWSA-N 264.325 0.900 10 10 CCCE C[C@H](N)c1ccc(N2CC[C@@](CO)(CCO)C2)cc1O 2153347459 VOJSOBICGQTPGV-XHDPSFHLSA-N 280.368 0.983 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CC[C@H](O)[C@H](F)C1 2027991579 ORPHFPSJFUFQHW-BDAKNGLRSA-N 255.245 0.643 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CC[C@@H](O)[C@H](F)C1 2027991584 ORPHFPSJFUFQHW-RKDXNWHRSA-N 255.245 0.643 10 10 CCCE C[C@H](N)c1ccc(N2C[C@@H](CO)O[C@H](C)C2)cc1O 299959070 UCASWGZRPYHHSZ-SCVCMEIPSA-N 266.341 0.998 10 10 CCCE CS(=O)(=O)C1CN(c2ccc(CN)c(F)c2F)C1 2034832237 HMNGZKRGZPPWDC-UHFFFAOYSA-N 276.308 0.657 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1CC[C@H]1C(=O)O 2157398200 CCBUIVLSKIDOSG-VHSXEESVSA-N 279.292 0.867 10 10 CCCE NC(=O)CN(Cc1ccc(N)cc1)C(=O)[C@]12CC[C@@H]1C2 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278.308 0.074 10 10 CCCE CN1CCCc2cc(CNC(=O)C3(O)COC3)ccc21 1442388562 SUVNIRLZOXECAB-UHFFFAOYSA-N 276.336 0.447 10 10 CCCE Nc1ccc(OCCN2CCO[C@H](CCO)C2)cc1 2116238102 WCZGWUUXHRFFRT-CQSZACIVSA-N 266.341 0.731 10 10 CCCE C=CC(=O)NCCC(=O)NCc1ccc(O)cc1O 1451772302 VINZEJKVTUQLAO-UHFFFAOYSA-N 264.281 0.406 10 10 CCCE C[C@H](NC(=O)CN1C(=O)CCC1=O)c1ccccc1O 1520303813 YPNGALZGJARDQM-VIFPVBQESA-N 276.292 0.718 10 10 CCCE CNC(=O)N[C@@H]1CCN(C(=O)c2ccc(C)c(O)c2O)C1 1611253564 MLVZBCKYQSPBLD-SECBINFHSA-N 293.323 0.550 10 10 CCCE COc1ccc(N2CCNC[C@@](C)(O)C2)cc1OC 217180248 JCQRRVGSWUHCBF-CQSZACIVSA-N 266.341 0.864 10 10 CCCE C[C@H]1CNC[C@H](O)CN1c1ccc2c(c1)OCCO2 217101915 RYZAUVRHWYFQRQ-JQWIXIFHSA-N 264.325 0.617 10 10 CCCE CN(C)C[C@@H](CO)NC(=O)c1ccc(N=NC(N)=O)cc1 1568701027 BQITZHPDOGTZHX-NSHDSACASA-N 293.327 0.501 10 10 CCCE [N-]=[N+]=NC1CCN(C(=O)CCn2cnnn2)CC1 1912171830 PNSRWHBMBLXBOL-UHFFFAOYSA-N 250.266 0.365 10 10 CCCE COC[C@]1([C@H](NCCCN=[N+]=[N-])C(N)=O)CCCCO1 1912180703 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Cc1cccc(CNC(=O)[C@@H]2CCS(=O)(=O)C2)c1O 2139750071 CLCMMJSAZPTXET-LLVKDONJSA-N 283.349 0.752 10 10 CCCE Cc1nc(CCNC(=O)c2cccc(O)c2O)no1 229097818 KCHNSTGUGFOZCD-UHFFFAOYSA-N 263.253 0.762 10 10 CCCE CCNS(=O)(=O)NCCc1ccc(O)c(O)c1 1943643545 NUQWRFDGKKZUHO-UHFFFAOYSA-N 260.315 0.084 10 10 CCCE NC(=O)[C@H]1CCN(c2cc3c(cc2N)OCCO3)C1 236188233 WLYHJKHQENEHQK-QMMMGPOBSA-N 263.297 0.352 10 10 CCCE CNC(=O)[C@@H]1COCCN1c1ccc(OC)cc1N 130076254 ACDFGKYCMKCVJF-LBPRGKRZSA-N 265.313 0.229 10 10 CCCE CON(C)CCCNC(=O)Cc1ccc(N)cc1 1972987293 PLYXSGHSCHAPQC-UHFFFAOYSA-N 251.330 0.811 10 10 CCCE CN1C(=O)[C@H](O)c2ccc(N3C[C@@H]4C[C@@H](O)[C@H]4C3)cc21 2151393712 ROBOWWQLIALFSL-MSRLKIHKSA-N 274.320 0.513 10 10 CCCE O=C1COC[C@@]2(CCNC2)N1Cc1ccccc1O 257878420 FGRFENDJVWSTRZ-AWEZNQCLSA-N 262.309 0.483 10 10 CCCE NCc1ccc(N2CC(=O)NC(=O)C2)c(C(F)(F)F)c1 163727902 ARJUQERNANZKRK-UHFFFAOYSA-N 287.241 0.627 10 10 CCCE COC1CN(S(=O)(=O)N(C)CCCN=[N+]=[N-])C1 1998748152 HKUMNARDZVXGCQ-UHFFFAOYSA-N 263.323 0.194 10 10 CCCE [N-]=[N+]=NCCCCNS(=O)(=O)C[C@H]1CCC1=O 2008732866 HSQISHLWELFPBO-MRVPVSSYSA-N 260.319 0.975 10 10 CCCE Nc1nonc1C(=O)Nc1ccc(O)cc1C(=O)O 54432319 LOVWRTYJZVUOKE-UHFFFAOYSA-N 264.197 0.308 10 10 CCCE COc1ccc(CN[C@@H](C(N)=O)C2CC2)c(O)c1 2035303565 UALMMMLWWNXTBQ-GFCCVEGCSA-N 250.298 0.754 10 10 CCCE [N-]=[N+]=N[C@@H]1CCCN(S(=O)(=O)c2cn[nH]c2)C1 403642526 CRMFOAWMBWTPOE-SSDOTTSWSA-N 256.291 0.873 10 10 CCCE Nc1ccc(OCCC(=O)NC[C@H]2CCC(=O)N2)cc1 79910546 FOMKHKDNUJGTTL-LLVKDONJSA-N 277.324 0.433 10 10 CCCE CNCc1ccc(N2CC(NS(C)(=O)=O)C2)c(C)c1 703159913 WIZZPNBSTKWQEC-UHFFFAOYSA-N 283.397 0.452 10 10 CCCE CN(C(=O)Cc1ccc(N)cc1)C1CC(C(N)=O)C1 703492189 XSSWTVQGGAKQFD-UHFFFAOYSA-N 261.325 0.534 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@]12CNC[C@H]1CCO2 705100049 NVLKBKYYTMPDKA-DOMZBBRYSA-N 276.336 0.729 10 10 CCCE CS(=O)(=O)N1CC[C@@H](OC(=O)Cc2ccc(N)cc2)C1 689761796 ITCJYAMQQRRYLA-GFCCVEGCSA-N 298.364 0.388 10 10 CCCE CN[C@H](C)c1ccc(N2C[C@@H]3C(=O)NC(=O)[C@H]3C2)cc1 387521712 ZWQSRRNDBOBLSE-ICCXJUOJSA-N 273.336 0.676 10 10 CCCE C[C@H](N[C@H]1CN(C)NC1=O)c1ccc(F)cc1O 393895778 VSCWMUWFFOXXAP-XVKPBYJWSA-N 253.277 0.527 10 10 CCCE CN1CCc2cc(CN[C@@]3(CO)CCOC3)ccc21 393910332 XWHZTOXKUOMAFK-OAHLLOKOSA-N 262.353 0.920 10 10 CCCE Cc1cccc(Cn2ncc(S(C)(=O)=O)c2N)c1O 2070222322 OEUCAJWJKXDQFA-UHFFFAOYSA-N 281.337 0.931 10 10 CCCE CO[C@H]1COC[C@H]1N(C)CC(=O)c1ccc(O)c(O)c1 2177283377 MPDLAVDEMOSTDS-YGRLFVJLSA-N 281.308 0.626 10 10 CCCE CO[C@@H]1COC[C@@H]1NC(=O)[C@@H]1CNc2ccccc2N1 2177271501 QBDBZEKCHWVBFY-RWMBFGLXSA-N 277.324 0.423 10 10 CCCE O=C(O)C1[C@@H]2CN(C(=O)c3cc(O)c(O)c(O)c3)C[C@@H]12 2188867676 FHMFJTONJYNYNR-RNFRBKRXSA-N 279.248 0.206 10 10 CCCE COC1CC(CO)(NC(=O)Cc2ccc(O)c(O)c2)C1 2198474153 KVEFMLQMLYNTPL-UHFFFAOYSA-N 281.308 0.296 10 10 CCCE Nc1ccc(CC(=O)NC2CC(n3cnnc3)C2)cc1 2184084991 BTVWJEJRJVMOST-UHFFFAOYSA-N 271.324 0.923 10 10 CCCE O[C@H]1[C@H]2C[C@@H]([C@@H]1O)N(c1ccc3c(c1)CCC[C@H]3O)C2 2184686916 LXMIHCJATJJZMU-URXAQBOPSA-N 275.348 0.987 10 10 CCCE 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COc1cnc(=NCCc2ccc(O)c(O)c2)[nH]c1 2091750246 DCMSIBNSDMVHJL-UHFFFAOYSA-N 261.281 0.973 10 10 CCCE CN(Cc1ccc(N)cc1)C(=O)CN1CSCC1=O 2092479370 VTTFXUPPQLEZRF-UHFFFAOYSA-N 279.365 0.760 10 10 CCCE O=C(O)[C@H]1[C@H]2[C@@H]1OCCN2Cc1ccc(O)cc1O 2092844573 KXKBASCMHDZJJU-SDDRHHMPSA-N 265.265 0.382 10 10 CCCE COc1ccc(N2C[C@H](CO)[C@@H](CCO)C2)c(N)c1 2093510090 PNCIOROSGBCPBK-WDEREUQCSA-N 266.341 0.705 10 10 CCCE C[C@H]1CCN(CCn2ccc3c(c2=O)CNCC3)C1 2094403986 FHZGJMYWHAPRAH-LBPRGKRZSA-N 261.369 0.836 10 10 CCCE CC[C@@H](CNC(=O)OC(C)(C)C)COc1nnc(=N)[nH]n1 2209559967 JZMUHEVNZAAWRB-QMMMGPOBSA-N 298.347 0.609 10 10 CCCE COCCNC[C@@H](C)NCCc1ccc(O)c(O)c1 2232031651 SLULPSRICVGZQU-LLVKDONJSA-N 268.357 0.854 10 10 CCCE COC[C@@H]1[C@H](O)[C@H](O)CN1c1ccc(OC)cc1C=O 2235986823 OHVODEAHSHLTQJ-MCIONIFRSA-N 281.308 0.065 10 10 CCCE Nc1ccc(OCC(=O)N2C[C@@H](O)C[C@@H](F)C2)cc1 2226279559 AINDHMSHMSEUKR-KOLCDFICSA-N 268.288 0.579 10 10 CCCE COc1ccc(N2CCOC[C@H](CO)C2)c(CN)c1 2227677108 GDZHSJHTMIXWBE-NSHDSACASA-N 266.341 0.599 10 10 CCCE Nc1ccc(O)c(CN2C[C@H]3OCCC[C@]3(CO)C2)c1 2238827572 RVOGJGYUDCCGSK-HUUCEWRRSA-N 278.352 0.948 10 10 CCCE CSc1ncc(CNC(=O)c2nc[nH]n2)s1 2243843546 CTJYSMOYEZSKLQ-UHFFFAOYSA-N 255.328 0.913 10 10 CCCE Cc1cc(N2CCC2(CO)CO)ccc1[C@H](C)N 2257460387 QUPDDXQYQIGAGR-NSHDSACASA-N 250.342 0.948 10 10 CCCE Cc1cc([C@H](C)N)ccc1N1C[C@H](O)[C@@H](O)[C@@H](CO)C1 2289399555 ARLPXYFWBOZICG-FDEJFUCISA-N 280.368 0.165 10 10 CCCE Nc1ccc(CCN2C[C@H]3OCC[C@@]3(CO)C2)cc1 2278858990 IEXLQZGTSGHMKH-CABCVRRESA-N 262.353 0.895 10 10 CCCE Cc1cn(CC(=O)NCCCN=[N+]=[N-])c(=O)nc1O 2269185313 GNPAPQQFEYWUHR-UHFFFAOYSA-N 266.261 0.074 10 10 CCCE C[C@H](NCC1(O)CS(=O)(=O)C1)c1ccc(N(C)C)cc1 2283094136 YLAMFUCINJDJJF-NSHDSACASA-N 298.408 0.563 10 10 CCCE CN(C)c1ccc([C@H](N)[C@]2(O)COC3(COC3)C2)cc1 2286255550 QDUAGJNTFBWBII-DZGCQCFKSA-N 278.352 0.673 10 10 CCCE COc1cc(OC)c(N2CC(O)(CCO)C2)cc1OC 2289447960 QGCRIMIVYBNAPE-UHFFFAOYSA-N 283.324 0.646 10 10 CCCE C[C@@H](N)c1ccc(N2CC3(CNC(=O)CO3)C2)c(F)c1 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CCCE CC(C)[C@@H]1CN(CC(N)=O)c2ccc(CN)cc2O1 74337993 OOWMOLUCHVMXHH-ZDUSSCGKSA-N 263.341 0.854 10 10 CCCE Cc1cnc([C@@H]2NCCc3c2ccc(O)c3O)c[n+]1[O-] 75793908 ORAAYKZNDDCDIJ-CYBMUJFWSA-N 273.292 0.670 10 10 CCCE N[C@@H](C(=O)NC[C@H]1CCCO1)c1ccc(O)c(O)c1 83483761 OYLBJTWVDQWVBS-BXKDBHETSA-N 266.297 0.393 10 10 CCCE [N-]=[N+]=NCCCCNC(=O)[C@@H]1CO[C@@H]2COC[C@H]21 1964943121 LPXOYPJKVRTZKB-IVZWLZJFSA-N 254.290 0.855 10 10 CCCE O=C(N[C@@]12CCC[C@H]1CNC2)c1cccc(O)c1O 711306264 XXZUEQHBKNDDRE-LKFCYVNXSA-N 262.309 0.970 10 10 CCCE O=C(c1cccc(O)c1O)N1CCC[C@@H]1c1nn[nH]n1 720637239 MJFGTURQCIOTLO-MRVPVSSYSA-N 275.268 0.588 10 10 CCCE CN(c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)C1CNC1 90290594 PTLWXBMWPSHXGZ-UHFFFAOYSA-N 278.268 0.334 10 10 CCCE Cc1ccc(O)c(CN2CC(N3CCNCC3)C2)c1 90308496 MXJWCWIAFXNNQH-UHFFFAOYSA-N 261.369 0.790 10 10 CCCE NC(=O)c1ccc(C(=O)NCCc2ccc(O)c(O)c2)[nH]1 1445938906 PZFAGPIGRSMJGV-UHFFFAOYSA-N 289.291 0.497 10 10 CCCE CN1N=C(C(=O)NCC2(CN=[N+]=[N-])CC2)CCC1=O 2117723743 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CN(C(=O)c1cc(O)c(O)c(O)c1)[C@H]1CCC[C@@H]1N 2132419185 QTALGDFKMYKOGE-IUCAKERBSA-N 266.297 0.755 10 10 CCCE CC[C@@H](O)c1ccc(N2CC(O)(C(N)=O)C2)cc1 1915230207 WGYNWFBTTRXWMB-LLVKDONJSA-N 250.298 0.166 10 10 CCCE COc1cc(N)c(N(CC(N)=O)C(C)C)cc1OC 213425684 YYAJXSZOCPHUPD-UHFFFAOYSA-N 267.329 0.986 10 10 CCCE COC(=O)[C@@H]1CN(C(=O)c2ccc(O)c(O)c2)C[C@H]1C 227039030 HZBXLMFBMOWLNZ-PSASIEDQSA-N 279.292 0.979 10 10 CCCE CN(C)[C@@H]1COC[C@H]1Nc1c(N)cccc1C(=O)O 1922029419 IMDUACVFTFOXGV-GHMZBOCLSA-N 265.313 0.708 10 10 CCCE NCc1cc(F)c(N2C[C@H](O)[C@H](O)[C@@H]2CF)cc1Cl 2140661080 DJOLLHTYJIZLFY-SDDRHHMPSA-N 292.713 0.818 10 10 CCCE CN(C)Cc1cc([C@H]2CNC(=O)CO2)ccc1O 1952355353 NEWPKHZPHLHEQV-GFCCVEGCSA-N 250.298 0.641 10 10 CCCE NC(=O)Cn1cc(NCc2ccc(O)c(O)c2)cn1 36998429 WYDKKKJREWJHEB-UHFFFAOYSA-N 262.269 0.392 10 10 CCCE C[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)C[C@H]1CN 163623625 XEJCMRUMWYXMFJ-WCBMZHEXSA-N 265.313 0.550 10 10 CCCE Nc1ccc(NC(=O)CCN2CCO[C@@H](CO)C2)cc1 167021202 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NN[C@@H](Cn1cnnn1)c1ccc(N2CCCC2)cc1 2163159610 CDAXNKQKBXAPBY-ZDUSSCGKSA-N 273.344 0.478 10 10 CCCE C[S@@](=O)C1(CNC(=O)c2ccc(O)c(O)c2)CC1 380149527 WBFFWBRTHPBVKJ-GOSISDBHSA-N 269.322 0.739 10 10 CCCE CC[C@@H](c1ccccc1O)N1CCOC[C@]1(CN)CO 693975850 WXVHGWSGGTVYJQ-ZFWWWQNUSA-N 280.368 0.865 10 10 CCCE CC[C@H](NC(=O)[C@@H]1CNc2ccccc2N1)C(N)=O 393698899 SJKWQPDUXJIDDU-KWQFWETISA-N 262.313 0.273 10 10 CCCE CCOC1(CO)CN(CC(=O)c2ccc(O)c(O)c2)C1 2172980475 NEGBXKGHIKSUGG-UHFFFAOYSA-N 281.308 0.364 10 10 CCCE CCCN=c1nc[nH]c(=NCCc2ccc(N)cc2)[nH]1 2174024497 UMQOOVLGLJFBIU-UHFFFAOYSA-N 272.356 0.774 10 10 CCCE CNCc1ccc(N2C[C@@H]3OC[C@@H](CO)[C@@H]3C2)c(F)c1 2178084282 XQTMURVXVWSHBH-XUJVJEKNSA-N 280.343 0.989 10 10 CCCE NC[C@]1(O)C[C@H](c2nc(-c3ccc(O)c(O)c3)no2)C1 2179502479 QKZQGGDHOQJIJK-XCSCGOTBSA-N 277.280 0.715 10 10 CCCE COCCCCOC(=O)[C@H](N)Cc1ccc(O)c(O)c1 2187433945 DXRNWNVKMZXCQE-LLVKDONJSA-N 283.324 0.937 10 10 CCCE CO[C@@H]1C[C@H]1CNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 2188222825 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CNCc1ccc(N2C[C@H](CO)C[C@H]2CO)cc1OC 2204552353 AKLGSOGISGDEJH-RISCZKNCSA-N 280.368 0.594 10 10 CCCE COc1cccc(O)c1CN[C@@H]1CCC[C@@H](O)[C@H]1O 2224352006 ZCJMORYORHXIRC-QKCSRTOESA-N 267.325 0.765 10 10 CCCE NC(=O)C1(O)CCN(c2ccc3c(c2)CCC3)CC1 2226751404 ZQNALZMCMOWIDI-UHFFFAOYSA-N 260.337 0.992 10 10 CCCE COc1ccc(N2CCOC[C@H]2[C@H](O)CO)cc1F 2226783948 OIVWNYWQSFUCFF-NWDGAFQWSA-N 271.288 0.393 10 10 CCCE O[C@@H]1CN(c2ccc3c(c2)COCC3)[C@@H]2COC[C@H]12 2226713507 ORJYUYCNLJPIME-RRFJBIMHSA-N 261.321 0.955 10 10 CCCE Cc1ccc(O)c(CN2C[C@@H]3CN[C@@H](CO)[C@@H]3C2)c1 2227318163 WFJMCTCXRXGVMK-MJBXVCDLSA-N 262.353 0.713 10 10 CCCE COc1ccc(N2CC[C@H](O)C[C@H]2CO)c(C=O)c1 2227693268 VDJCSPIGXPMGEH-RYUDHWBXSA-N 265.309 0.830 10 10 CCCE CN[C@@H](C)c1ccc(N2CCOC[C@H]2C(N)=O)c(C)c1 2240821906 GMQJXNVVNUUIFL-FZMZJTMJSA-N 277.368 0.966 10 10 CCCE CSc1ncc(CN=c2[nH]ccn(C)c2=O)s1 2248607823 GUAZVFIDXRWTTB-UHFFFAOYSA-N 268.367 0.993 10 10 CCCE CC1(O)[C@H]2C[C@H]1CN(c1ccc3c(c1)NC(=O)[C@@H]3O)C2 2286241425 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280.324 0.970 10 10 CCCE O=C(N[C@H]1C[C@@H]2CC[C@H](C1)N2)c1cc(O)c(O)c(O)c1 2188912124 HWUIRDKSPORPID-ILWJIGKKSA-N 278.308 0.816 10 10 CCCE NC[C@@H]1C[C@H](NC(=O)c2cc(O)c(O)c(O)c2)[C@H]2C[C@H]21 2188911436 CHGIVOACLVXZLF-XKNYDFJKSA-N 278.308 0.517 10 10 CCCE CC1(C)CNC[C@H]1CNC(=O)c1cc(O)c(O)c(O)c1 2188926339 ZIFVPNHTDLLFIE-VIFPVBQESA-N 280.324 0.779 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CC[C@H]2CNC[C@H]2C1 2188921764 DFQBAJFZLWCHMT-WPRPVWTQSA-N 278.308 0.485 10 10 CCCE Nc1ccc(NC(=O)N2[C@H]3CC[C@H]2[C@H](O)[C@H](O)C3)cc1 2190453470 LYXSDMSGVFEQQQ-RVMXOQNASA-N 277.324 0.759 10 10 CCCE Nc1ccc(OCC(=O)NCc2cnsn2)cc1 2048239219 BSBGZYKCLSOQAV-UHFFFAOYSA-N 264.310 0.816 10 10 CCCE COc1ccc(O)c(CNCCCNC(N)=O)c1 2048906433 QDWQTGVQXUKJHB-UHFFFAOYSA-N 253.302 0.549 10 10 CCCE COC[C@H]1C[C@H]1NS(=O)(=O)Cc1ccc(N)cc1 2054020018 WKPZAYCEXKFVID-ZYHUDNBSSA-N 270.354 0.723 10 10 CCCE COc1cc(N)c(N2CC[C@](N)(C(=O)O)C2)cc1OC 2191558500 ISUCUQDWHVHIRM-CYBMUJFWSA-N 281.312 0.278 10 10 CCCE 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C[C@H](O)c1ccc(N2CC3(COC(=O)N3)C2)cc1O 2351834298 ODXSRQJGQHGDGZ-QMMMGPOBSA-N 264.281 0.744 10 10 CCCE CNCc1cc(F)c(N2C[C@@H]3C[C@H]2[C@@H](O)[C@H]3O)c(F)c1 2354482749 MGUXFGLASCBYHX-XBEUXYKBSA-N 284.306 0.615 10 10 CCCE CS(=O)(=O)[C@@H](C(=O)NCCCN=[N+]=[N-])C1CC1 2299469819 IJPZEOHZYYCFIY-MRVPVSSYSA-N 260.319 0.626 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3CCN(CCO)CC3)ccc21 36231546 LUMJYYLLFYYLOW-AWEZNQCLSA-N 290.367 0.014 10 10 CCCE CN1CCN(NCc2ccc(N3CCOCC3)cc2)CC1 214336758 TVRMURVCVHIMPP-UHFFFAOYSA-N 290.411 0.775 10 10 CCCE COC(=O)CS(=O)(=O)N(C)[C@@H](C)c1ccccc1O 49061497 GNRODHNKUGGRIB-VIFPVBQESA-N 287.337 0.888 10 10 CCCE CNC(=O)[C@@H]1CCCN1c1cc2c(cc1N)OCC(=O)N2 42393404 JWBNFSRPAFIXGE-JTQLQIEISA-N 290.323 0.315 10 10 CCCE C[C@H](N)[C@H]1CN(Cc2ccc(O)c(O)c2)CCO1 132573770 WWEXKFJUKLKYGR-TVQRCGJNSA-N 252.314 0.646 10 10 CCCE CC(C)C[C@@H](NC[C@H]1SC(=S)NC1=O)C(=O)O 248271584 QEYDGTFJMQOVKA-RNFRBKRXSA-N 276.383 0.592 10 10 CCCE N[C@@H](Cc1cc(Br)c(F)c(O)c1O)C(=O)O 258561913 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C[C@H]1CN(c2cc3c(cc2N)NC(=O)CC3)C[C@H]1N 1876304338 MTTGYRIQLPGTGZ-GZMMTYOYSA-N 260.341 0.937 10 10 CCCE C[C@H](NS(=O)(=O)N(C)CCCO)c1ccccc1O 1877588939 UILDULIWSKCKDT-JTQLQIEISA-N 288.369 0.602 10 10 CCCE COCCNC(=O)CN(C)Cc1cc(OC)ccc1O 133126559 MJQAARAIKGQUAM-UHFFFAOYSA-N 282.340 0.595 10 10 CCCE CCN[C@@H](c1ccccc1O)[C@@H](O)c1nnnn1C 1885447772 IZPLMWROLLIMOE-WDEREUQCSA-N 263.301 0.300 10 10 CCCE C[C@@H]1CCN(C(=O)c2cccc(O)c2O)[C@@H](C(N)=O)C1 1154942798 PMSAQJVLPWRKDW-PSASIEDQSA-N 278.308 0.824 10 10 CCCE CC(C)(C)OC(=O)N[C@]1(C(=O)NCCN=[N+]=[N-])C[C@H](O)C1 1890412190 IKFUPBUPOMFRTI-LYWQIFSTSA-N 299.331 0.831 10 10 CCCE C[C@@H](CC(N)=O)NC(=O)c1c(F)ccc(O)c1O 1306842632 CXEFEUMHAJGEQB-YFKPBYRVSA-N 256.233 0.231 10 10 CCCE O=C(NC[C@@H](CO)C1CC1)c1cccc(O)c1O 1963589721 RGMJAPGRNZYFRW-VIFPVBQESA-N 251.282 0.846 10 10 CCCE O=C(O)CCC(=O)[C@H]1NCCc2ccc(O)c(O)c21 83723857 WEFRUUDARFRHGH-GFCCVEGCSA-N 265.265 0.719 10 10 CCCE CCc1cc(N2CCNCC2)cc2c1OCC(=O)N2 62539311 JTJXNBYZCCYOOU-UHFFFAOYSA-N 261.325 0.990 10 10 CCCE O=C(N[C@@H]1CCO[C@@H]1C(=O)O)c1ccc(O)c(O)c1 702963609 POQATXNYPFWASC-XCBNKYQSSA-N 267.237 0.070 10 10 CCCE CN(C)C[C@@H](O)CN(C)c1ccc(CN)cc1F 690197519 XWWVDDWOHQGHMO-LLVKDONJSA-N 255.337 0.643 10 10 CCCE CC[C@@H]1C(=O)NC(=O)CN1C(=O)Cc1ccc(N)cc1 97317574 FNDXLTGIQIUDRR-LLVKDONJSA-N 275.308 0.075 10 10 CCCE C[C@@H](CCO)N(C)S(=O)(=O)Cc1ccc(N)cc1 1916988683 WOEKSZINZUAGGR-JTQLQIEISA-N 272.370 0.801 10 10 CCCE CCOC(=O)[C@@H]1C[C@H]1C(=O)NCc1cccc(O)c1O 1352669899 LZYYVZYBAYLRIF-NXEZZACHSA-N 279.292 0.913 10 10 CCCE CO[C@@H](C1CNC1)[C@H](O)c1ccc2c(c1)CCN2C 2115733096 UNRYLZDTKLPLHA-CABCVRRESA-N 262.353 0.947 10 10 CCCE COc1ccc(N2CCCNC(=O)[C@@H]2CCO)cc1 217096068 OXHYDINVIAOJAC-ZDUSSCGKSA-N 264.325 0.773 10 10 CCCE COc1cc(C(=O)N[C@H]2CC[C@H](O)C2)cc(OC)n1 2121397462 FEYVGPOOEHMDOJ-UWVGGRQHSA-N 266.297 0.742 10 10 CCCE Cn1cc([C@@H](O)C(=O)NCc2ccc(O)c(O)c2)cn1 1545636816 GTMHQYFPCRSKRF-GFCCVEGCSA-N 277.280 0.181 10 10 CCCE CN(C)c1ccc(C=CC(=O)N2C[C@H](O)CO2)cc1 1911914105 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C[S@@](=O)CC1CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2132403740 MHBOWJBJPGLIFG-LJQANCHMSA-N 285.321 0.254 10 10 CCCE CNCCC[C@H](C)NC(=O)c1cc(O)c(O)c(O)c1 2132418707 MWYDLQHRYWDPGX-QMMMGPOBSA-N 268.313 0.921 10 10 CCCE NCc1ccc2c(c1)CCN2CCN1CCOCC1 2133392075 WTNPCMAVJANOLI-UHFFFAOYSA-N 261.369 0.840 10 10 CCCE C[C@@H](NC(=O)c1cccc(O)c1O)[C@@H](C)S(C)(=O)=O 1970408222 DWTKFLCOAJDCLL-HTQZYQBOSA-N 287.337 0.649 10 10 CCCE NC(=O)NC1CC(NCc2cc(F)ccc2O)C1 1967846820 NJYUVVSYMDGIIO-UHFFFAOYSA-N 253.277 0.820 10 10 CCCE CC[C@H]1C(=O)NC(=O)CN1c1ccc(CN)c(F)c1F 233945571 MKOPSDPKWNAQNX-QMMMGPOBSA-N 283.278 0.665 10 10 CCCE CNC(=O)CCN(C)c1cc2c(cc1N)NC(=O)CC2 234386031 RITABUIQYZZVKH-UHFFFAOYSA-N 276.340 0.726 10 10 CCCE Nc1ccc(OCC(=O)NCCCn2ccnn2)cc1 126030378 MLMPGIWPVYLVAK-UHFFFAOYSA-N 275.312 0.446 10 10 CCCE COC[C@H](CNC(=O)COc1ccc(N)cc1)OC 234719505 ODVIYUYQJNDYLO-LBPRGKRZSA-N 268.313 0.425 10 10 CCCE Cc1noc(NS(=O)(=O)CCOc2ccc(N)cc2)n1 126852744 JXQLSDDLGCZGTO-UHFFFAOYSA-N 298.324 0.781 10 10 CCCE CN1C[C@H](O)[C@@H](NCc2ccc(Cl)cc2O)C1 1942691891 ZWVTVBSRBXZWBS-JQWIXIFHSA-N 256.733 0.810 10 10 CCCE CCOC(=O)[C@H](N)[C@@H](OC)c1cccc(O)c1O 1952307708 CQHZNEUUHPVPMN-KOLCDFICSA-N 255.270 0.676 10 10 CCCE COc1ccc(N2CC(OCC(=O)O)C2)c([N+](=O)[O-])c1 2144812027 JBSSCLKEWMWSOA-UHFFFAOYSA-N 282.252 0.893 10 10 CCCE NC(=O)CO[C@H]1CCCN(c2ccc(CO)cc2F)C1 2145383102 RUQDAMHEDLFYND-NSHDSACASA-N 282.315 0.789 10 10 CCCE COC(=O)C[C@@H](N)c1c(O)ccc2c1OCCO2 260526793 MUGLENTVCYGNRW-SSDOTTSWSA-N 253.254 0.726 10 10 CCCE NC[C@@]12CC[C@H]1CCCN2C(=O)c1cc(O)nc(O)c1 2145604209 AAFIMLLCOKTJAD-YGRLFVJLSA-N 277.324 0.836 10 10 CCCE C[C@@H]1CCC(=O)CN1C(=O)c1cc(O)nc(O)c1 2027059122 XKPFAFVABFOWPI-SSDOTTSWSA-N 250.254 0.686 10 10 CCCE Cc1cc(N2C[C@H](CO)C[C@H]2CO)ccc1CO 2029386154 UIJWJJJXCMAKAL-RISCZKNCSA-N 251.326 0.667 10 10 CCCE C[C@H](N[C@@H](CO)CCCO)c1c(O)cccc1O 2029922078 KERARSMZSOPCMN-VHSXEESVSA-N 255.314 0.882 10 10 CCCE CC(C)(CCCN)NC(=O)c1cc(O)nc(O)c1 311091998 OBMJTCJQCOQLSK-UHFFFAOYSA-N 253.302 0.740 10 10 CCCE NC(=O)[C@H]1CNCCN1c1ccc(OC(F)(F)F)cc1 2162619502 BYJWOCQJFGXFKZ-SNVBAGLBSA-N 289.257 0.849 10 10 CCCE CN1CCc2cc([C@H](O)[C@]34CNC[C@@H]3COC4)ccc21 2163077386 VCHHTIIRRRSTHR-KBMXLJTQSA-N 274.364 0.948 10 10 CCCE COc1cc2c(cc1OC)N(Cc1nc(=O)o[nH]1)CC2 2173267750 TTXJOIVMMKDNEU-UHFFFAOYSA-N 277.280 0.943 10 10 CCCE Nc1ccc(OCCC(=O)N[C@@H]2CCOC[C@H]2O)cc1 706772995 UTBUBLVEGYRSKM-CHWSQXEVSA-N 280.324 0.304 10 10 CCCE CN1CCN(C(=O)CCN2CCC(N=[N+]=[N-])CC2)CC1 2173768982 XZDNJASZIYOFRV-UHFFFAOYSA-N 280.376 0.925 10 10 CCCE Oc1cc2c(cc1CNCCn1cnnc1)OCO2 381862033 DPWWHZHVMWPSQX-UHFFFAOYSA-N 262.269 0.502 10 10 CCCE C[C@H](C(=O)Nc1ccc(N)cc1)N1CC2(COC2)C1 697116276 WBWYNPFTZNNHIG-SNVBAGLBSA-N 261.325 0.928 10 10 CCCE C[C@@H]1N[C@](C)(c2ccc(N(C)C)cc2)C(=O)NC1=O 388661599 BMMZQVWVOLBKHL-LKFCYVNXSA-N 261.325 0.602 10 10 CCCE C[C@H](NC(=O)Cc1ccc(N)cc1)c1cn(C)nn1 720523519 OZENBFXONLHLHJ-VIFPVBQESA-N 259.313 0.817 10 10 CCCE C[C@H](NCCCc1nn[nH]n1)c1c(O)cccc1O 392607567 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10 10 CCCE CC1(C)CN(C(=O)c2cc(O)c(O)c(O)c2)[C@H]1CO 2132349128 ZCVYVYUKBPQGPH-JTQLQIEISA-N 267.281 0.646 10 10 CCCE O=C(N[C@@H]1CCCC[C@H]1O)c1cc(O)c(O)c(O)c1 2132348747 RJXQIMIULIZZLE-RKDXNWHRSA-N 267.281 0.837 10 10 CCCE CC(C)[C@](C)(CO)NC(=O)c1cc(O)c(O)c(O)c1 2132348522 NOBICINNIOGHSY-ZDUSSCGKSA-N 269.297 0.940 10 10 CCCE CCN1CCN(C(=O)CNCc2cc(C)ccc2O)CC1 1857867964 LDPOEAZIQUWYPQ-UHFFFAOYSA-N 291.395 0.954 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N3CCC4(COC4)C3)cc21 1915838546 HRUQAOBFCMUQBX-ZDUSSCGKSA-N 273.336 0.890 10 10 CCCE NCC1CC(C(=O)NCCc2ccc(O)c(O)c2)C1 1915929946 NUCNYVXATAISDV-UHFFFAOYSA-N 264.325 0.741 10 10 CCCE CCNC(=O)C1(NCc2cc3c(cc2O)OCO3)CC1 1967772182 REHZGUAHYJEWNU-UHFFFAOYSA-N 278.308 0.879 10 10 CCCE C[C@@]1(O)CN(C(=O)c2cccc(O)c2O)CC[C@H]1O 2136879381 PVKFMRANERVDQB-ZWNOBZJWSA-N 267.281 0.056 10 10 CCCE COc1cc(N2C[C@@H]3NC(=O)O[C@@H]3C2)ccc1CN 2139683079 QJXOMYKTGGCYFA-CMPLNLGQSA-N 263.297 0.451 10 10 CCCE CC(C)CNCc1ccc(N2C[C@@H](O)[C@H](O)C2)cc1 232636583 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C[C@H](NS(=O)(=O)CCCO)c1ccccc1O 2017520310 FBUPYWHBCAWVEG-VIFPVBQESA-N 259.327 0.755 10 10 CCCE COc1ccc(O)c([C@@H](C)N[C@H]2CCNC2=O)c1 182451141 OSMQFSGKRCLBCI-KCJUWKMLSA-N 250.298 0.940 10 10 CCCE Cn1c(O)nc(Sc2ncc(C(=O)O)s2)nc1=O 2040410104 PNBIKJCEUPMHCR-UHFFFAOYSA-N 286.294 0.187 10 10 CCCE NCc1ccc(N2C[C@@H]3OCCO[C@@H]3C2)cc1F 2032410046 BWYWLTAPJSXMSA-BETUJISGSA-N 252.289 0.888 10 10 CCCE C[C@H](N[C@H](C)CS(N)(=O)=O)c1ccc(O)cc1O 2035452399 GLYOCHZDSWXQCF-SFYZADRCSA-N 274.342 0.425 10 10 CCCE NCCN1CCN(Cc2ccc(O)c(O)c2)CC1 2039307008 QWYNKDNNMXXHTB-UHFFFAOYSA-N 251.330 0.174 10 10 CCCE CCNCc1ccc(N2CC(CO)(OC)C2)cc1 2039553727 ZIUIJTUSWHSZAX-UHFFFAOYSA-N 250.342 0.994 10 10 CCCE CCOC[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)O 2157634690 PJQOOJCVCQNZKM-SECBINFHSA-N 283.280 0.246 10 10 CCCE CCN(CCOCCO)CC(=O)Nc1ccc(N)cc1 312615413 QPKZNJVXMHQLDS-UHFFFAOYSA-N 281.356 0.538 10 10 CCCE CNCc1ccc(N2C[C@@H](CO)[C@@H](O)C2)cc1C 317116564 QHGKPNNVNIEWFZ-JSGCOSHPSA-N 250.342 0.504 10 10 CCCE COc1ccc(N2C[C@H]3C[C@H]2CS3(=O)=O)c(N)c1 321288931 HDOLBOSCQPNZRC-WCBMZHEXSA-N 268.338 0.653 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@@H]1CO[C@@H]2CNC[C@@H]21 2160915324 UFEBAEZZMNVSRZ-YRGRVCCFSA-N 276.336 0.585 10 10 CCCE C[C@@H]1CN(C(=O)COc2ccc(N)cc2)C[C@@H]1CO 709265470 KJUFVHDSFDRLDC-GHMZBOCLSA-N 264.325 0.734 10 10 CCCE Nc1ccc(OCCC(=O)NCc2cnc(O)[nH]2)cc1 379734902 GBGVAFVVUPYHJC-UHFFFAOYSA-N 276.296 0.783 10 10 CCCE Nc1ccc(NC(=O)CN2CCN3CC[C@H]2C3)cc1 381666436 GIEJQOZPYCIFMU-ZDUSSCGKSA-N 260.341 0.597 10 10 CCCE COc1cccc(CN[C@H](CO)CN(C)C)c1O 716706041 WALJEFBXLNEUFO-NSHDSACASA-N 254.330 0.413 10 10 CCCE C[C@H](CNCc1cccc(F)c1O)c1nn[nH]n1 392637189 WHNHZGMSRWKKAE-SSDOTTSWSA-N 251.265 0.938 10 10 CCCE CO[C@H]1COCC[C@H]1NC(=O)c1ccc(O)c(O)c1 389168955 GRDQUNDXJLUJKZ-SKDRFNHKSA-N 267.281 0.632 10 10 CCCE Nc1ccc(CS(=O)(=O)NC[C@H]2C[C@@H](O)C2)cc1 720891981 DBLXPXVQDPVBKO-KLPPZKSPSA-N 270.354 0.459 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CCC[C@H]2CCO)cc1 394195005 JRZDWQJVLUYFRT-ZDUSSCGKSA-N 284.381 0.945 10 10 CCCE CN=c1[nH]c(C)cc(=NCCOc2ccc(N)cc2)[nH]1 2173895761 BWVCQSFLLRZHSM-UHFFFAOYSA-N 273.340 0.744 10 10 CCCE CCNCc1ccc(OC)c(C[S@](=O)CCC(N)=O)c1 399358146 NVTOPCGTFAGQQM-HXUWFJFHSA-N 298.408 0.929 10 10 CCCE COc1cccc(O)c1CNC[C@@H]1[C@@H]2CS(=O)(=O)C[C@@H]21 2174617423 DUEGKEXRDFOAPI-YHPBZONMSA-N 297.376 0.781 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)[C@@H]2CN[C@@H]3CCOC[C@H]3C2)C1 2179524136 SVUYXSAZQPCQDN-IEECTRCBSA-N 280.368 0.267 10 10 CCCE CNS(=O)(=O)[C@H]1CCN(C(=O)Nc2ccc(N)cc2)C1 2170578706 BORJTKWDTIOKQV-NSHDSACASA-N 298.368 0.424 10 10 CCCE O=S1(=O)CCN(Cc2c(O)cccc2F)CC1 1137833250 YFFFYCVWWWCYRS-UHFFFAOYSA-N 259.302 0.762 10 10 CCCE CC1(C)CN(c2ccc3c(c2)NC(=O)[C@H]3N)CC[S@]1=O 2170967420 DRJMCHBVUSIZTI-FKIZINRSSA-N 293.392 0.986 10 10 CCCE C=C=CCC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 2180018950 ADVSKYJISOYSHV-JTQLQIEISA-N 277.276 0.941 10 10 CCCE O=C(N[C@]12COC[C@H]1C2(F)F)c1cc(O)c(O)c(O)c1 2188929023 NXUMAGFEYCOIGS-LDYMZIIASA-N 287.218 0.567 10 10 CCCE C[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)C1CCNCC1 2188919982 RFWKKCIEEQDDKU-MRVPVSSYSA-N 280.324 0.921 10 10 CCCE Nc1ccc(CCOC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 2197938296 UNUNEUNEFGUHQB-LBPRGKRZSA-N 298.364 0.725 10 10 CCCE COCCn1nnnc1Sc1ncc([C@H](C)N)s1 2041817103 BSIBOPFFGMJSSG-LURJTMIESA-N 286.386 0.947 10 10 CCCE CN1CCO[C@H]2CCN(Cc3cc(N)ccc3O)C[C@H]21 2185597564 SHFUXTBXLYHKGC-HIFRSBDPSA-N 277.368 0.879 10 10 CCCE Nc1ccc(NC(=O)N[C@H]2CCCN(CCO)C2)cc1 2191503389 RLQZKPNJDVUDFZ-ZDUSSCGKSA-N 278.356 0.847 10 10 CCCE Nc1ccc(OCC(=O)N2C[C@H]3CCNC[C@@H]3C2)cc1 2191651856 LAYQJIIFVUCUDS-VXGBXAGGSA-N 275.352 0.716 10 10 CCCE COc1ccc(N2CCC[C@@H]2[C@H](O)CO)c(N)c1 2059274168 HVGAHVAHIPPILB-CHWSQXEVSA-N 252.314 0.599 10 10 CCCE C[C@H](O)[C@H]1C[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 2061858785 PTDNFOGFQLYKKY-SFGNSQDASA-N 251.282 0.526 10 10 CCCE C[C@H](NCCC(CO)CO)c1cc(O)ccc1O 2064508657 HQRRMDDKOBERLB-VIFPVBQESA-N 255.314 0.739 10 10 CCCE CN1C[C@](NCCN=[N+]=[N-])(C(=O)O)CCCC1=O 2068217341 LZIRPIKELZOCLB-JTQLQIEISA-N 255.278 0.352 10 10 CCCE CC[C@@](C)(O)CNC(=O)c1cc(O)c(O)c(O)c1 2068579452 XGXQMVFBAIKYJD-GFCCVEGCSA-N 255.270 0.694 10 10 CCCE CN(CC1COCCOC1)C(=O)c1cccc(O)c1O 2188059926 YKTVRYWIVWBVNB-UHFFFAOYSA-N 281.308 0.833 10 10 CCCE CC1(C)C[C@@H](O)[C@H](O)CN1C(=O)c1ccc(O)c(O)c1 2188678304 QLBIOXNUCMQJBO-VXGBXAGGSA-N 281.308 0.444 10 10 CCCE Cc1cc(O)ccc1NS(=O)(=O)c1n[nH]cc1CO 2101571638 LTWPOJFDEXVCQX-UHFFFAOYSA-N 283.309 0.717 10 10 CCCE COC[C@@](O)(CO)CN[C@H](C)c1ccc(F)cc1O 2102399162 LAGWQTUHQAUZJU-RNCFNFMXSA-N 273.304 0.552 10 10 CCCE CN(C)C[C@H]1CCN1c1ccc2c(c1)NC(=O)[C@@H]2N 2104576355 ZGENJYQHZSNCGF-ZWNOBZJWSA-N 260.341 0.779 10 10 CCCE C[C@H]1CCCN1CCn1ccc2c(c1=O)CNCC2 2104904247 JWVGYNZJHQUMMD-LBPRGKRZSA-N 261.369 0.978 10 10 CCCE CN(C)c1ccc([C@@H](CCn2ccnn2)NN)cc1 2106829303 VRGSEAKATIBJJS-CYBMUJFWSA-N 260.345 0.939 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CC[C@H](OCCO)C1 2109041518 AZRKUJLEEIHQGQ-JTQLQIEISA-N 267.281 0.321 10 10 CCCE C[C@H](O)c1ccc(N2CCOC[C@H]2[C@@H](O)CO)cc1 2090137987 FLUOICDXLJUVST-BPNCWPANSA-N 267.325 0.298 10 10 CCCE O=C(CN1CC2(CC(O)C2)C1)c1ccc(O)c(O)c1 2090136993 VOUNQHFBBKFVTM-UHFFFAOYSA-N 263.293 0.737 10 10 CCCE C[C@H](O)c1ccc(N2CC(=O)N[C@H]3CC[C@H]32)cc1O 2112059852 ARUBWCBIRJNJHP-KPXOXKRLSA-N 262.309 0.913 10 10 CCCE COc1c([C@@H](O)[C@H](N)c2ccccc2O)cnn1C 2093598303 UYEQZCOMHLMGOF-VXGBXAGGSA-N 263.297 0.868 10 10 CCCE COc1ccc(O)c(CN2CCC[C@@]2(CO)C(=O)O)c1 2201056497 QZFGQIODWLVACZ-CQSZACIVSA-N 281.308 0.812 10 10 CCCE NC(=O)C1(NCc2ccc(O)c(O)c2O)CCC1 2223837672 JUFOGWKMGIUQTF-UHFFFAOYSA-N 252.270 0.301 10 10 CCCE Cc1cc([C@H](C)O)ccc1N1C[C@H](O)C[C@@H]1CO 2223975608 QBHJKNURKRIVHT-CYZMBNFOSA-N 251.326 0.980 10 10 CCCE COc1ccc(N2CCCN(C)C(=O)C2)c(CN)c1 2227674709 XJARHMUPQTUKHN-UHFFFAOYSA-N 263.341 0.822 10 10 CCCE Cc1cc([C@H](C)O)ccc1N1CC2(C1)OC[C@H](O)[C@H]2O 2240830939 UOINHOBJQPUMJT-LEWSCRJBSA-N 279.336 0.359 10 10 CCCE COc1ccc(O)c(CN2C[C@@H](O)CC[C@@H]2C(=O)O)c1 2279205528 DLEZZOMPLGKAQJ-CMPLNLGQSA-N 281.308 0.811 10 10 CCCE OC[C@@]1(O)CCN(c2ccc(OC(F)F)cc2)C[C@@H]1O 2295989843 VIKMWTLFXVRUEO-AAEUAGOBSA-N 289.278 0.582 10 10 CCCE CCN[C@@H](C)c1ccc(N2CC(O)(CCO)C2)cc1O 2286180587 IIOGBOVBRFBGON-NSHDSACASA-N 280.368 0.996 10 10 CCCE NC(=O)CNC(=O)C=Cc1ccc(N2CCOCC2)cc1 2297507975 OIRMOGLXZKVVKC-UHFFFAOYSA-N 289.335 0.138 10 10 CCCE COc1ccc(CNCCS(=O)(=O)CCO)cc1C 2335769504 PQKYVXDGZFGOKB-UHFFFAOYSA-N 287.381 0.500 10 10 CCCE CN(CC1(O)CC1)C(=O)[C@H]1CNc2ccccc2N1 2340183134 GSNWCFCGHUCAIQ-GFCCVEGCSA-N 261.325 0.876 10 10 CCCE O=C(O)[C@H]1C[C@@H]2CN(C(=O)c3cccc(O)c3O)C[C@@H]21 2355416113 IJUMOQWZSKKQLK-JEZHCXPESA-N 277.276 0.891 10 10 CCCE Nc1ccc(-n2nccc2NC(=O)[C@@H]2COCCO2)cc1 61628835 FDCCVTJNIYIDGM-LBPRGKRZSA-N 288.307 0.808 10 10 CCCE [N-]=[N+]=NCCNC1(C(N)=O)CCN(C2CC2)CC1 311022713 REMNCCIFEQNZTP-UHFFFAOYSA-N 252.322 0.369 10 10 CCCE CNCc1cc(F)c(N2C[C@@H](O)[C@H](CO)C2)c(F)c1 316626098 YLFULKISGYAOCP-JOYOIKCWSA-N 272.295 0.474 10 10 CCCE CN(c1ccc2c(c1)NC(=O)[C@H]2N)C1(CCO)CC1 2133546148 OOMUJCWUWUSAMH-LBPRGKRZSA-N 261.325 0.990 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CCn3cnnc3C2)cc1 83920064 GZCYGISFUINIEQ-UHFFFAOYSA-N 293.352 0.206 10 10 CCCE CCOC(=O)[C@@]1(NCCCN=[N+]=[N-])CCS(=O)(=O)C1 90259869 HQSWICWEOVHYER-SNVBAGLBSA-N 290.345 0.397 10 10 CCCE C[C@]1(CO)CCCN1c1ccc2c(c1)NC(=O)[C@H]2N 722976407 DMNGPLYTTISDOV-GXTWGEPZSA-N 261.325 0.990 10 10 CCCE CC(=O)C(=O)COC(=O)C1(C(=O)NC2CC2)CCC1 808514540 IHSFKAASXXVXIG-UHFFFAOYSA-N 267.281 0.137 10 10 CCCE CC(=O)C(=O)COC(=O)[C@H](C(C)C)N1C[C@@H](C)O[C@H](C)C1 808519415 AVGPOFPETPAZGS-GYSYKLTISA-N 299.367 0.822 10 10 CCCE COCCNC[C@H](C)N(C)C(=O)c1cc(O)nc(O)c1 721635058 WOWZVXLMXVHQGX-VIFPVBQESA-N 283.328 0.189 10 10 CCCE CO[C@H]1CCOC[C@@H]1NC(=O)COc1ccc(N)cc1 724907524 DFFBCOCJFCBKHB-STQMWFEESA-N 280.324 0.568 10 10 CCCE CNC(=O)N1CCN(c2ccc(CN)cc2C)CC1 721778924 XAHBSFVSJDCCOA-UHFFFAOYSA-N 262.357 0.915 10 10 CCCE Cn1nc(NC(=O)c2ccc(O)c(O)c2)cc1C(=O)O 725235190 NSNHNAMMSNJTTI-UHFFFAOYSA-N 277.236 0.782 10 10 CCCE CS(=O)(=O)CCCCNC(=O)c1ccc(O)c(O)c1 692801599 BGJWRJXFEKPCLX-UHFFFAOYSA-N 287.337 0.652 10 10 CCCE Nc1ccc(CC(=O)N2CC[C@@H](F)[C@H](N)C2)cc1 851648648 MKHRHRVBDAEOEK-VXGBXAGGSA-N 251.305 0.709 10 10 CCCE COc1ccc(O)c(CNCCOCCCN)c1 863484507 JAHYMTSYMHPVKP-UHFFFAOYSA-N 254.330 0.856 10 10 CCCE Cc1ccc(C(=O)O[C@@H]2CCNC2=O)c(O)c1O 770008982 SENXOCDQAZHCLW-MRVPVSSYSA-N 251.238 0.452 10 10 CCCE C[C@@H](NC(=O)[C@@]1(CO)CCCN1)c1ccccc1O 1877587304 UCLKIKHBBCIMGN-YGRLFVJLSA-N 264.325 0.684 10 10 CCCE Cn1cc(S(=O)(=O)Nc2ccc(O)c(F)c2)c(=N)[nH]1 1876527400 OMOYWMFPNDEEEG-UHFFFAOYSA-N 286.288 0.478 10 10 CCCE C[C@H](N)c1cc(F)c(N2CC[C@@H](O)[C@@H](O)C2)c(F)c1 1880923564 IZGHZSUURREPGF-BPTDKIDVSA-N 272.295 0.916 10 10 CCCE COC[C@@](C)(O)CNC(=O)Cc1ccc(O)c(O)c1 1147959458 CFZUZSQGASTQPV-ZDUSSCGKSA-N 269.297 0.154 10 10 CCCE Cc1cccc(O)c1CN(CCO)CCC(=O)O 1963064299 QYGNURXUXAYANM-UHFFFAOYSA-N 253.298 0.970 10 10 CCCE CNC[C@@H]1NCCc2cc(OC)c(OC)c(O)c21 75823333 SARCWMRXBFXQDP-VIFPVBQESA-N 252.314 0.816 10 10 CCCE COc1ccc(N2CCN(CCON)CC2)cc1 19785833 YASDDUQTTDDEIX-UHFFFAOYSA-N 251.330 0.708 10 10 CCCE CN1CC[C@@H](C(=O)NCc2cc(O)ccc2O)C1=O 1176748295 NTFBKAHHPBARMA-JTQLQIEISA-N 264.281 0.192 10 10 CCCE CN(CCOc1ccc(N)cc1)Cc1nnn(C)n1 1893024763 WFYVEGURDOXEMY-UHFFFAOYSA-N 262.317 0.303 10 10 CCCE Cn1cnc([C@](C)(NCCCN=[N+]=[N-])C(N)=O)c1 710116486 CVQBVOQWOGZQHP-JTQLQIEISA-N 251.294 0.411 10 10 CCCE CC1(CCNC(=O)c2cc(O)nc(O)c2)OCCO1 715985256 IRWPPCBXYZQNAG-UHFFFAOYSA-N 268.269 0.376 10 10 CCCE COc1cc(N)c(N2CC[C@H](NC(N)=O)C2)cc1OC 690757749 VSYWWUWJVKYGEX-QMMMGPOBSA-N 280.328 0.533 10 10 CCCE CCCOc1cc(N(C)CCS(N)(=O)=O)ccc1N 719732644 URGNLFHWAIPTRP-UHFFFAOYSA-N 287.385 0.782 10 10 CCCE CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)C1CNC1 722238262 UWPBVAKHBPSHSH-UHFFFAOYSA-N 297.424 0.876 10 10 CCCE Nc1ccc(NC2CCN(S(N)(=O)=O)CC2)cc1 698647387 SHGXOJNDLGIYON-UHFFFAOYSA-N 270.358 0.349 10 10 CCCE C[C@@H](c1cc(F)ccc1O)N1CCNC[C@@H]1C(N)=O 94621976 PHTHQWLRLFMLKE-GZMMTYOYSA-N 267.304 0.351 10 10 CCCE NC(=O)C[C@@H]1CCCCN1C(=O)c1cccc(O)c1O 790906911 YIKABCCJAFZQHW-VIFPVBQESA-N 278.308 0.968 10 10 CCCE C[C@H](NC(=O)CN1C(=O)CNC1=O)c1ccccc1O 1262025071 VTCYUVIUWIIVDF-QMMMGPOBSA-N 277.280 0.121 10 10 CCCE Nc1cc2c(cc1N1CC=C[C@H]1CO)NC(=O)CO2 2119812734 PBJOMWHQOHLNQW-QMMMGPOBSA-N 261.281 0.337 10 10 CCCE CN(C)c1ccc([C@@H](NCCC(=O)O)C(=O)O)cc1 211901224 RPCPWOIBHXDCTI-GFCCVEGCSA-N 266.297 0.943 10 10 CCCE O=C(O)CC[C@@H](NCc1ccccc1O)C(=O)O 13905690 LKOHXMCSKQWIRH-SECBINFHSA-N 253.254 0.800 10 10 CCCE CCC[C@@H](NC(N)=O)C(=O)NCc1c(O)cccc1O 1635847212 KHDNLJANMGJZEQ-SECBINFHSA-N 281.312 0.551 10 10 CCCE COc1ccc(N2CC[C@H](NCCO)C2)cc1OC 259350667 OJUAKTBFIJEPJY-NSHDSACASA-N 266.341 0.864 10 10 CCCE Nc1ccc(-n2ccc(C(=O)NCC=CCO)n2)cc1 1912046956 BTIPYWJUVLHYQI-UHFFFAOYSA-N 272.308 0.733 10 10 CCCE CCNC(=O)NC(=O)[C@H](C)N1CC[C@H](N=[N+]=[N-])C1 1912194885 WVCQGPCTUQXHCU-YUMQZZPRSA-N 254.294 0.605 10 10 CCCE O=C(N[C@H](CO)Cc1cncs1)c1cccc(O)c1O 1586312269 OCWNYUPIRSUHJS-QMMMGPOBSA-N 294.332 0.888 10 10 CCCE O=C(NCc1cccc(O)c1O)[C@H]1CCCc2nn[nH]c21 1593739388 NPXODRLZSCIBQL-VIFPVBQESA-N 288.307 0.952 10 10 CCCE CN(CCCOc1ccc(N)cc1)S(C)(=O)=O 1913517640 IEGZJUBJGVALRX-UHFFFAOYSA-N 258.343 0.929 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCCCNC1=O 1595664078 ZORHGODJROHJOP-SNVBAGLBSA-N 278.308 0.425 10 10 CCCE Nc1ccc(CCC(=O)N2CCN(CC(=O)O)CC2)cc1 158135270 UGLGIEQULKGCDX-UHFFFAOYSA-N 291.351 0.430 10 10 CCCE C[C@H](C(=O)O)N1CC(NCc2ccc(O)cc2O)C1 2131774229 QYWBRAUSYWISKT-MRVPVSSYSA-N 266.297 0.345 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3CCC4(COC4)C3)ccc21 1915838075 BCOSPGIEGYQBBC-GFCCVEGCSA-N 259.309 0.865 10 10 CCCE O=C(NC[C@]12CC[C@@H]1CNC2)c1ccc(O)c(O)c1 2136062272 ACLNWCCTMQPBJY-QMTHXVAHSA-N 262.309 0.827 10 10 CCCE Cc1cccc(O)c1CN1CC[C@](CO)(C(=O)O)C1 2136396801 IXUDSCKQMQWXEP-AWEZNQCLSA-N 265.309 0.970 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)C2(CCF)CCNCC2)C1 2137426138 NHPAKRQJIZLOFY-XYPYZODXSA-N 270.348 0.981 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@H]2CCC[C@H]2CO)cc1 231251909 BQGNFLJKVIBGIL-WCQYABFASA-N 284.381 0.849 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NC[C@H]1[C@H]2CN[C@H]1C2 2138327887 WBTIBPMUNCXBGG-VWYCJHECSA-N 262.309 0.364 10 10 CCCE COC(=O)C1(Cc2cc(O)c(O)c(O)c2)CNC1 1951974182 ZZUIXVAEHXXPKY-UHFFFAOYSA-N 253.254 0.109 10 10 CCCE COC(=O)C1(Cc2cc(O)c(O)c(OC)c2)CNC1 1952236897 QZTMWOJJXXDLSZ-UHFFFAOYSA-N 267.281 0.412 10 10 CCCE COC(=O)[C@H](N)[C@@H](OC)c1ccc(O)c(CN(C)C)c1 1952688852 CJCCSIOQQKEQKG-OLZOCXBDSA-N 282.340 0.642 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@]12CCCNC[C@H]1C2 1973319484 PBAZYUWRCOJBPA-IAQYHMDHSA-N 276.336 0.899 10 10 CCCE CCO[C@H]1CN(C(=O)c2cccc(O)c2O)CC[C@H]1N 2146768960 XHOLUCANXRQOCR-PWSUYJOCSA-N 280.324 0.676 10 10 CCCE CN(C)c1ccc([C@](C)(C(N)=O)N2CCNCC2)cc1 37945560 BTKRLXZUQWESSP-OAHLLOKOSA-N 276.384 0.358 10 10 CCCE [N-]=[N+]=N[C@@H]1CCN(S(=O)(=O)CC2CC(=O)C2)C1 2005396910 ZILAYMLOJYEBGK-MRVPVSSYSA-N 258.303 0.680 10 10 CCCE N[C@H]1CCC[C@@H]1CNC(=O)c1cc(O)nc(O)c1 2027287060 NUWRFSVCKSSAJB-APPZFPTMSA-N 251.286 0.350 10 10 CCCE C[C@H](O)c1ccc(N2CC(OCCO)C2)cc1O 2034842295 IBAGIHQWSFSTNB-VIFPVBQESA-N 253.298 0.643 10 10 CCCE N[C@@H]1CN(Cc2cc(F)ccc2O)[C@H]2COC[C@H]12 2040555914 VOSLJNMFHDAWGK-UTUOFQBUSA-N 252.289 0.689 10 10 CCCE C[C@H]1[C@H](NCc2cc3c(cc2O)OCO3)CCS1(=O)=O 313217041 QHEWEOAVFDBTRG-WCBMZHEXSA-N 299.348 0.786 10 10 CCCE Nc1cc2c(cc1N1C[C@@H]3CC[C@H](C1)O3)NC(=O)CO2 90905964 FVJXVLVROPIRGG-DTORHVGOSA-N 275.308 0.967 10 10 CCCE C[C@H]1[C@@H](C)NCCN1C(=O)c1cccc(O)c1O 379431278 IQGZLFGGNMMPOL-BDAKNGLRSA-N 250.298 0.920 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCN(C(=O)[C@@H]2Cc3nncn3C2)C1 2167733506 ZGFSSSYOKPUFMG-VHSXEESVSA-N 275.316 0.999 10 10 CCCE CCN(Cc1ccc(N)cc1)C(=O)CNS(C)(=O)=O 389231325 ZGVUVBJYDKFIDX-UHFFFAOYSA-N 285.369 0.167 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N3CC=CC[C@@H]3CO)cc21 2176345805 ZHYQLUZVPQFGFY-RISCZKNCSA-N 273.336 0.790 10 10 CCCE CN(CC[S@@](C)=O)C(=O)c1cccc(O)c1O 399881064 GECUKJDZTXOSHQ-QGZVFWFLSA-N 257.311 0.548 10 10 CCCE C[C@H](O)c1ccc(N2C[C@@H]3C[C@H](C2)[C@H](O)[C@H]3O)cc1O 2182557050 ROXVETQMWJLVMR-RWDPWNMBSA-N 279.336 0.623 10 10 CCCE COCCn1nnnc1CNCc1c(O)cccc1Cl 2169375546 WDEHCZZIARRGHV-UHFFFAOYSA-N 297.746 0.968 10 10 CCCE CN(C)C(=O)C1(C(=O)Nc2ccc(O)c(O)c2)CC1 2064853095 VFFKWANTNJLSCE-UHFFFAOYSA-N 264.281 0.905 10 10 CCCE Cc1cc(O)n2ncc(C(=O)N[C@@H](C)[C@@H](C)O)c2n1 2064983071 WQWKSRGVEMFDFY-JGVFFNPUSA-N 264.285 0.242 10 10 CCCE Nc1ccc(NS(=O)(=O)N2CCC[C@@H](C(=O)O)C2)cc1 2162470458 YRVGPIOXDVMRAT-SECBINFHSA-N 299.352 0.722 10 10 CCCE CC(C)(O)C1CN(C(=O)Cc2ccc(O)c(O)c2)C1 1138271377 JIYSJNKWUSOZKT-UHFFFAOYSA-N 265.309 0.870 10 10 CCCE CN1CCCc2cc([C@H](NN)c3cn(C)nn3)ccc21 2163149103 FRILSLUOJKLHJG-AWEZNQCLSA-N 272.356 0.750 10 10 CCCE CN1CCN(C(=O)CCN2CCC[C@H](N=[N+]=[N-])C2)CC1 2173765984 AFTJZOMEULVQLY-LBPRGKRZSA-N 280.376 0.925 10 10 CCCE O=C(N[C@@H]1CCO[C@H](C(=O)O)C1)c1cccc(O)c1O 2194361367 VWURPIJJBBVOPW-XCBNKYQSSA-N 281.264 0.460 10 10 CCCE N[C@@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)[C@@H]2CC[C@H]12 2190260863 JZNDSIPVFRLILZ-OPRDCNLKSA-N 278.308 0.755 10 10 CCCE Nc1ccc(OCCS(=O)(=O)N[C@H]2CCC[C@H]2N)cc1 2191624292 JNRJYVHTXMTJAO-OLZOCXBDSA-N 299.396 0.447 10 10 CCCE C[C@H]1CNCCN1S(=O)(=O)Nc1ccc(O)cc1 2043912544 DXMZUUSIEJBXFM-VIFPVBQESA-N 271.342 0.343 10 10 CCCE CN1CCc2cc([C@H](O)[C@H]3CNCCS3(=O)=O)ccc21 2197781415 GFAGXPCPXKTAMK-KGLIPLIRSA-N 296.392 0.099 10 10 CCCE O=C(N[C@@]12CCC[C@@H]1CNC2)c1cc(O)c(O)c(O)c1 2188923135 KALUZDITQYFFLC-YMTOWFKASA-N 278.308 0.675 10 10 CCCE O=C(NC[C@@H]1[C@@H]2CCOC[C@H]21)c1cc(O)c(O)c(O)c1 2188932455 XSBODKHINFACSG-IVZWLZJFSA-N 279.292 0.816 10 10 CCCE O=C(N[C@@H]1CCCOC1)c1cc(O)c(O)c(O)c1 2068579646 YKXQVUWJPNLIRJ-MRVPVSSYSA-N 253.254 0.712 10 10 CCCE OC[C@@H]1CO[C@@H](CNCc2ccc(O)c(O)c2O)C1 2101331423 KOMUCWZQFAKZSX-PSASIEDQSA-N 269.297 0.290 10 10 CCCE Oc1nnc(CNCc2ccc(O)c(O)c2O)o1 2081303126 CQXNDHDHCIRGMQ-UHFFFAOYSA-N 253.214 0.182 10 10 CCCE Cc1cccc(CNC(=O)CCOCCN)c1O 2084062325 DJMSAVRSAZCJDI-UHFFFAOYSA-N 252.314 0.682 10 10 CCCE O=C(NCc1ccccc1O)[C@@H]1CO[C@@H]2CNC[C@H]21 2104622877 XPQXBQZXPPVXLQ-DMDPSCGWSA-N 262.309 0.243 10 10 CCCE O=[N+]([O-])c1cc(O)ccc1NS(=O)(=O)CCCCO 2087152790 DDECAEMDEPGZMD-UHFFFAOYSA-N 290.297 0.815 10 10 CCCE C[C@H]1CCNC[C@H]1N(C)C(=O)c1cc(O)nc(O)c1 2107351312 AVJCSHMQNDJZEG-WCBMZHEXSA-N 265.313 0.563 10 10 CCCE [N-]=[N+]=NC[C@H]1CCN(C(=O)[C@@H]2Cc3nncn3C2)C1 2111425786 BGHBCVCVIJCRJT-RKDXNWHRSA-N 261.289 0.609 10 10 CCCE Oc1ccc(CNC[C@@H]2Cc3nncn3C2)c(O)c1 2111424003 GBCMXSPDHIORCY-VIFPVBQESA-N 260.297 0.651 10 10 CCCE CNCc1cc(OC)ccc1N1CC[C@H](O)C[C@@H]1CO 2235961695 GSFUOAXRNVZEMV-OLZOCXBDSA-N 280.368 0.737 10 10 CCCE COc1ccc(N2CCO[C@H]3COC[C@H]32)c(C(=O)O)c1 2235946846 XOYKZFHCSDYKMO-OLZOCXBDSA-N 279.292 0.997 10 10 CCCE C[C@H](O)c1ccc(N2C[C@@H](CO)C[C@@H](CO)C2)cc1O 2236636994 QPFYRHDIYXVXCC-SDDRHHMPSA-N 281.352 0.873 10 10 CCCE O[C@H]1CN(c2ccc3c(c2)OC(F)(F)O3)CC[C@H]1O 2226703264 XARSRIRBJXDWKJ-BDAKNGLRSA-N 273.235 0.940 10 10 CCCE CNCc1cc(OC)ccc1N1CCOC[C@@H]1CO 2227676259 SRZWVHFSXYZONX-LBPRGKRZSA-N 266.341 0.612 10 10 CCCE COC(=O)[C@H](O)CNCc1cnc(SC)s1 2243766212 ASXFIBRFTPSFHV-SSDOTTSWSA-N 262.356 0.489 10 10 CCCE Cc1cc(N2C[C@H]3C(=O)NC(=O)[C@H]3C2)ccc1[C@@H](C)N 2285149883 JAPWYEMQVCCMLF-WQAKAFBOSA-N 273.336 0.724 10 10 CCCE Cc1cc(N2C[C@@H](O)C[C@H]2CO)ccc1[C@@H](C)N 2257458685 ULWYHYANPHJTTN-WXHSDQCUSA-N 250.342 0.947 10 10 CCCE O=[N+]([O-])c1cc(CO)ccc1N1C[C@@H]2C[C@H](C1)[C@H]2O 2270681607 YWTDNDLHGIEUGE-DDFAGTSDSA-N 264.281 0.904 10 10 CCCE OCc1ccc(N2C[C@@H]3OC[C@@H](CO)O[C@@H]3C2)c(F)c1 2279783032 XAYMUZTXOXCTAL-DDTOSNHZSA-N 283.299 0.283 10 10 CCCE c1cc(N2CCNCC2)ccc1CN1C[C@H]2COC[C@@H]21 2286064869 CUFSHWLUWHGPHH-HOCLYGCPSA-N 273.380 0.927 10 10 CCCE COC(=O)NC[C@@H](C)NC(=O)COc1ccc(N)cc1 2286122748 ZWGWHHOTCXIACG-SECBINFHSA-N 281.312 0.508 10 10 CCCE Cc1cc([C@@H](C)N)ccc1N1C[C@H](O)[C@@H](O)[C@H](CO)C1 2289399561 ARLPXYFWBOZICG-WCUVEOEZSA-N 280.368 0.165 10 10 CCCE Cc1cc([C@@H](C)N)ccc1N1C[C@H](O)[C@H](O)[C@@H](CO)C1 2289399560 ARLPXYFWBOZICG-WAZAZEMKSA-N 280.368 0.165 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3C[C@@H]4C[C@H]3[C@H]4CO)ccc21 2333105836 YDSCYJIIWFJSBE-CETXONJKSA-N 259.309 0.456 10 10 CCCE Nc1ccc(OCC(=O)OC[C@@]2(O)CCOC2)cc1 2335612831 FCRDZYLBWONBRR-CYBMUJFWSA-N 267.281 0.342 10 10 CCCE Oc1ccc(CNC[C@H]2C[C@@H]3OCC[C@@H]3O2)c(O)c1O 2354611857 ARZFSRBFAHCKOR-USWWRNFRSA-N 281.308 0.839 10 10 CCCE Nc1ccc(CC(=O)N2C[C@@H]3C[C@H]2[C@@H](O)[C@H](O)C3)cc1 2355345906 LIGVFKVWLFORJB-CQROYNQRSA-N 276.336 0.154 10 10 CCCE CN(Cc1ccc(N2CCOCC2)cc1)[C@H]1CCNC1=O 179305227 MLLMENQHKSFHOP-HNNXBMFYSA-N 289.379 0.844 10 10 CCCE CC1(C)C(=O)NCCN1CCC(=O)Nc1ccc(N)cc1 110652475 KAKHBYXJADJQKE-UHFFFAOYSA-N 290.367 0.808 10 10 CCCE C[C@@]1(NC(=O)COc2ccc(N)cc2)CCS(=O)(=O)C1 38055487 PBOKLFMGQYPQQU-CYBMUJFWSA-N 298.364 0.341 10 10 CCCE CN1CCCc2cc(CN3CCNC[C@@H]3C(N)=O)ccc21 88659688 WWKGLMZYMAHQSM-OAHLLOKOSA-N 288.395 0.328 10 10 CCCE O=C(O)[C@H]1CNCCN1Cc1cc(F)ccc1O 236464487 ZPIGZQVAGOYMJU-SNVBAGLBSA-N 254.261 0.390 10 10 CCCE C[C@H](c1ccc(F)cc1O)N1CCNC(=O)[C@H]1CC(=O)O 251599390 YXSVPYGHZHAFNE-LDYMZIIASA-N 296.298 0.867 10 10 CCCE O=[N+]([O-])c1ccc(N=NN(CCO)CCO)cc1 252623965 PDDDTXPMDLWDDP-UHFFFAOYSA-N 254.246 0.880 10 10 CCCE CCOCc1cc(CNC[C@@H]2CNC[C@H]2O)ccc1OC 262153521 RQSNHMVBWKTFRZ-HUUCEWRRSA-N 294.395 0.902 10 10 CCCE COc1cc(C(=O)N[C@@H]2CC[C@@H](CO)C2)cc(OC)n1 2166944771 AZVWQBBKBMBPPG-MWLCHTKSSA-N 280.324 0.990 10 10 CCCE CN1CCC[C@H](C(=O)NCc2ccccc2O)C1=O 294803715 FFHKDBHEVPYMTG-LLVKDONJSA-N 262.309 0.877 10 10 CCCE Nc1ccc(NC(=O)NC[C@@H]2Cc3nncn3C2)cc1 2167736009 AQJVASOTNVZEPX-VIFPVBQESA-N 272.312 0.854 10 10 CCCE [N-]=[N+]=NC[C@@H]1OC(=O)C[C@]12CCCS(=O)(=O)C2 675054082 TWPNOSBXRDXJCK-CBAPKCEASA-N 259.287 0.807 10 10 CCCE O=C(NCc1c(O)cccc1F)C1CS(=O)(=O)C1 928705659 KQVDSSNLSOXMOR-UHFFFAOYSA-N 273.285 0.192 10 10 CCCE C[C@H]1CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O 920462536 CXEKGLPSZUIZFR-QMMMGPOBSA-N 284.337 0.998 10 10 CCCE CC1(N)CCN(S(=O)(=O)Cc2ccc(N)cc2)CC1 1876533240 MSWQCFFIDNSKJH-UHFFFAOYSA-N 283.397 0.912 10 10 CCCE C[C@@H](O)c1cc(F)c(N2CC[C@@](O)(CO)C2)c(F)c1 1880481008 AYOGIJNKUGCDKC-OQPBUACISA-N 273.279 0.952 10 10 CCCE Nc1ccc(NC(=O)N2CCO[C@@H](CCO)C2)cc1 1963540583 XKPBPWUSXVUKPX-LBPRGKRZSA-N 265.313 0.884 10 10 CCCE COc1ccc(C(=O)C(=O)C(=O)O)c(OC)c1C 77434168 ALOWGLISCVSDIE-UHFFFAOYSA-N 252.222 0.849 10 10 CCCE CN1CC(CN(C)C[C@@H](O)COc2ccc(N)cc2)C1 709591237 QOJXAYOQABYADS-CQSZACIVSA-N 279.384 0.502 10 10 CCCE C[C@H](O)[C@@H](O)CNCc1cccc(Br)c1O 717372707 COKMZJYVCZIIIR-XVKPBYJWSA-N 290.157 0.986 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1C[C@H](O)C(F)(F)C1 1965210601 AVOWPYQFFSQQJH-JTQLQIEISA-N 273.235 0.479 10 10 CCCE O=C(O)[C@H]1CN(C(=O)c2ccc(O)c(O)c2)CCS1 699261853 VLHZTHKONWLXIB-SNVBAGLBSA-N 283.305 0.740 10 10 CCCE CON1CC[C@@H](NCc2cc3c(cc2O)OCO3)C1 2116168524 QFPRRUAWOBALMG-SNVBAGLBSA-N 266.297 0.846 10 10 CCCE COc1cccc(CNC(=O)CCn2cnnn2)c1O 1294936100 CTLMPMHGRIKGBH-UHFFFAOYSA-N 277.284 0.094 10 10 CCCE Nc1ccc(CCCN2C[C@@H]3OC(=O)N[C@@H]3C2)cc1 2120394108 JLMXVZMJUWNWEA-OLZOCXBDSA-N 261.325 0.994 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2117464370 YADRIGKLRVIVSO-DGCLKSJQSA-N 264.325 0.687 10 10 CCCE O=C(O)[C@H]1CN(C(=O)c2cccc(O)c2O)C[C@@H]1F 2120647195 XBZPWENBKWGSGY-YUMQZZPRSA-N 269.228 0.593 10 10 CCCE CCc1cccc(CN[C@H]2CS(=O)(=O)C[C@@H]2O)c1O 2121363568 ITAKRDFYEAGRMY-RYUDHWBXSA-N 285.365 0.202 10 10 CCCE CN1CCCc2cc([C@H](O)[C@@](C)(N)C(=O)O)ccc21 2121911678 SLFPGTPHBUMQHN-GXTWGEPZSA-N 264.325 0.904 10 10 CCCE COC(=O)[C@@]1(NCCN=[N+]=[N-])CO[C@@]2(CCOC2)C1 2122414994 XVXRJWVUHGWXMM-QWRGUYRKSA-N 270.289 0.378 10 10 CCCE COc1ccc([C@H](O)[C@H](N)c2ccccc2O)nn1 1913547709 DDEIYVIZTYXLEA-OLZOCXBDSA-N 261.281 0.924 10 10 CCCE N[C@@H]1CCc2cc(N3CCC[C@@H]3[C@H](O)CO)ccc21 2128313641 VUJLIYUTEOFBEG-RBSFLKMASA-N 262.353 0.955 10 10 CCCE CN(C)C(=O)C1(NCc2cc3c(cc2O)OCO3)CC1 840957217 JVLIZAFOMBKODY-UHFFFAOYSA-N 278.308 0.831 10 10 CCCE Nc1ccc(CCC(=O)NC[C@@H]2NC[C@@H]3C[C@H]32)cc1 1905948409 ZSLIWTCRXNMWDP-YUTCNCBUSA-N 259.353 0.926 10 10 CCCE COc1cc(N)c(N2CC(=O)NC(=O)[C@@H]2C)cc1OC 214171149 JTGFIIXYXSOKID-ZETCQYMHSA-N 279.296 0.137 10 10 CCCE COc1cccc(O)c1CN1CC(CO)(C(=O)O)C1 2136355206 MXYWLOTUBHABNY-UHFFFAOYSA-N 267.281 0.280 10 10 CCCE NS(=O)(=O)CCSc1ncc([N+](=O)[O-])s1 226786834 NLPVCRCAHMOKFG-UHFFFAOYSA-N 269.329 0.432 10 10 CCCE CN(C)[C@@H]1COC[C@@H]1Nc1c(N)cccc1C(N)=O 1922028984 CHWPJGAFPSRFJW-WDEREUQCSA-N 264.329 0.109 10 10 CCCE CN1CCc2cc(CNC[C@]3(O)CCOC3)ccc21 229636446 JMSGJXBZGNQHSG-OAHLLOKOSA-N 262.353 0.920 10 10 CCCE CNC(=O)CCN(C)C[C@H](O)COc1ccc(N)cc1 234352646 ACIWNGOHKANWFV-LBPRGKRZSA-N 281.356 0.076 10 10 CCCE CCN1CCN(S(=O)(=O)Cc2ccc(N)cc2)CC1 21813146 PIJZILBQHINEAI-UHFFFAOYSA-N 283.397 0.736 10 10 CCCE COCCNC(=O)[C@H](C)OC(=O)Cc1ccc(N)cc1 41098571 AGELOXSJZCGIFM-JTQLQIEISA-N 280.324 0.506 10 10 CCCE COC[C@H](C)N(C)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 48496690 JURQLDQLDXIZJT-ONGXEEELSA-N 282.340 0.461 10 10 CCCE NC(=O)CN(CCn1cccn1)Cc1ccc(N)cc1 49314819 LQXUGBIOWAJXKE-UHFFFAOYSA-N 273.340 0.453 10 10 CCCE COc1ccc(O)c(CN[C@H]2COC[C@@H]2CO)c1 2029843069 CJKMGBXTHKJGMB-JQWIXIFHSA-N 253.298 0.498 10 10 CCCE COC[C@@]1(O)CCN(c2ccc(CN)cc2F)C1 2034417822 FHSRITZNERLDNU-CYBMUJFWSA-N 254.305 0.872 10 10 CCCE CO[C@H](CCN)C(=O)NCc1ccc(N(C)C)cc1 401363402 FXHWUTTZDNURIA-CYBMUJFWSA-N 265.357 0.733 10 10 CCCE CC1(C)[C@@H](O)CCN1c1ccc2c(c1)NC(=O)[C@H]2N 311570825 USHZMUSZSYPQIL-RYUDHWBXSA-N 261.325 0.988 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)[C@H]2CCc3nncn3C2)C1 2159905994 AOAHOTGGZSHICP-UWVGGRQHSA-N 275.316 0.999 10 10 CCCE Oc1ccccc1CNCCN1CCC(O)CC1 322232991 MFDYYETYYQVRRO-UHFFFAOYSA-N 250.342 0.939 10 10 CCCE CS(=O)(=O)N1CCC[C@@H](C(=O)NCCCN=[N+]=[N-])C1 701302113 ZNXZHWBYUHHOHR-SECBINFHSA-N 289.361 0.475 10 10 CCCE COCCOC1CN(C(=O)COc2ccc(N)cc2)C1 707214620 DOJBYNORHSMBOM-UHFFFAOYSA-N 280.324 0.521 10 10 CCCE COc1ccc(CN2CCN(C)[C@@H](C(=O)O)C2)c(O)c1 686104784 LVWLNKVRBKVOMK-GFCCVEGCSA-N 280.324 0.601 10 10 CCCE CO[C@H]1CS(=O)(=O)C[C@@H]1N(C)c1ccc([C@H](C)N)cc1 711288935 VAUGUXZIUIMKBD-BPNCWPANSA-N 298.408 0.955 10 10 CCCE CN(C(=O)c1cccc(O)c1O)C1(C(N)=S)CC1 694034137 VGBMTBZYYYNHMY-UHFFFAOYSA-N 266.322 0.989 10 10 CCCE C[C@@H]1C[C@@H](O)CN1c1cc2c(cc1N)OCCO2 385072989 DOYOZKHTGUDJRC-RKDXNWHRSA-N 250.298 1.000 10 10 CCCE Nc1ccc(NC(=O)N2C[C@H]3C(=O)NC(=O)[C@@H]3C2)cc1 395410922 GIKBTQACZLHWFQ-NXEZZACHSA-N 274.280 0.005 10 10 CCCE CS(=O)(=O)c1cnn(Cc2cc(F)ccc2O)c1O 2070262459 VCSZHVHBVLZFLO-UHFFFAOYSA-N 286.284 0.885 10 10 CCCE C[C@H](N[C@@H]1CCn2nnnc2C1)c1c(O)cccc1O 2175912487 RLMABAFJMMPOIN-DTWKUNHWSA-N 275.312 0.750 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CC(n4cnnc4)C3)ccc21 2170189358 STAMZMWYHMKFNY-LBPRGKRZSA-N 270.296 0.291 10 10 CCCE CN(C(=O)c1cc(O)c(O)c(O)c1)[C@@H]1CN2CC[C@H]1C2 2188917501 XNZZDEKYGFWOGD-WCBMZHEXSA-N 278.308 0.580 10 10 CCCE Nc1ccc(OCC(=O)N2C[C@@H]3CCC[C@]3(N)C2)cc1 2198066182 GZGVDWVHYALRFO-NHYWBVRUSA-N 275.352 0.987 10 10 CCCE CO[C@H]1C[C@@H](O)CN(c2ccc(CO)cc2F)C1 2046668243 ITIZMPDRORNELU-MNOVXSKESA-N 255.289 0.904 10 10 CCCE O=C(NCC1CC(CO)C1)c1cc(O)nc(O)c1 2049506430 MWIVPCUSTOYDHP-UHFFFAOYSA-N 252.270 0.241 10 10 CCCE NCc1ccc(N2CC[C@@H]3OCC(=O)N[C@@H]3C2)cc1Cl 2185522436 PGZPJUHLSQMCTM-OLZOCXBDSA-N 295.770 0.892 10 10 CCCE [N-]=[N+]=N[C@@H]1CCN(C[C@@H](O)CN2CCCC2=O)C1 2050537971 KCAJWGBLXNBNGM-NXEZZACHSA-N 253.306 0.354 10 10 CCCE Cc1cccc(O)c1CN[C@@H]1[C@H]2CS(=O)(=O)C[C@H]21 2054273443 QOVFRUDIFSJZTM-PJXYFTJBSA-N 267.350 0.833 10 10 CCCE C[C@H]1CN(c2cc3c(cc2N)OCC(=O)N3)C[C@H](C)N1 2191595923 JSUDDLYGFWUCHT-IUCAKERBSA-N 276.340 0.786 10 10 CCCE COCCCNC(=O)CN1CCC[C@@H]1CN=[N+]=[N-] 2059054279 VJRGNYSRYSTQNK-SNVBAGLBSA-N 255.322 0.914 10 10 CCCE Nc1ccc(CCC(=O)NC[C@@H]2C[C@H](N)[C@H](O)C2)cc1 2191654409 QNJVOUASRKORFD-KWCYVHTRSA-N 277.368 0.416 10 10 CCCE CN(C[C@H]1CNCCO1)S(=O)(=O)Cc1ccc(N)cc1 2191763420 IHDGMQRRNPSIGI-CYBMUJFWSA-N 299.396 0.019 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CCn4nncc4C3)ccc21 2186617942 ZESPZPKSRMFSKV-LBPRGKRZSA-N 270.296 0.250 10 10 CCCE C[C@H]1NCCN(c2cc3c(cc2N)OCC(=O)N3)[C@@H]1C 2191897687 DKKQFXJNDCDLNO-RKDXNWHRSA-N 276.340 0.786 10 10 CCCE CO[C@@H](C)CN(C)C(=O)c1cc(O)c(O)c(O)c1 2068567508 QVBALVWSSYETEC-ZETCQYMHSA-N 255.270 0.910 10 10 CCCE C[C@H](F)[C@H](NC(=O)c1cccc(O)c1O)C(=O)O 2069719173 NAUFJRIBVIDWNJ-XNCJUZBTSA-N 257.217 0.639 10 10 CCCE CCN(C[C@H](C)N)S(=O)(=O)Cc1ccc(N)cc1 2071566000 VUOOECBINVKDBY-JTQLQIEISA-N 271.386 0.768 10 10 CCCE NCCOCCNC(=O)CCc1ccc(N)cc1 2071676738 KRHGMUKVTXSJCQ-UHFFFAOYSA-N 251.330 0.293 10 10 CCCE C[C@H](NS(=O)(=O)[C@H]1CCNC1)c1ccccc1O 2072492123 YJHZAQRJDMDJJS-UWVGGRQHSA-N 270.354 0.735 10 10 CCCE O=C(O)[C@H]1C[C@@H](O)CN1Cc1c(O)cccc1F 2080549931 FINDOVFVTBGNPS-GMSGAONNSA-N 255.245 0.551 10 10 CCCE Cc1cccc(CNC(=O)N2CC[C@H](O)C2)c1O 2084053382 XNHVVOAHWQWXPA-NSHDSACASA-N 250.298 0.977 10 10 CCCE CC1(C)[C@@H](N)[C@@H]1C(=O)NCCc1ccc(O)c(O)c1 2104695966 HUGHYRNFCAMFAW-NEPJUHHUSA-N 264.325 0.740 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)[C@@H]2CCC3(CCC3)N2)C1 2084934992 FWWCTFDRSDTVMJ-DCAQKATOSA-N 250.342 0.927 10 10 CCCE Nc1ccc(NS(=O)(=O)CC2(C(=O)O)COC2)cc1 2106168414 BQUZVEIHZVXMGZ-UHFFFAOYSA-N 286.309 0.112 10 10 CCCE CN1CCc2cc([C@H](Cn3nccn3)NN)ccc21 2106857686 NRTLONAHNQEWMX-LBPRGKRZSA-N 258.329 0.475 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CC[C@@H](OCCO)C1 2109041519 AZRKUJLEEIHQGQ-SNVBAGLBSA-N 267.281 0.321 10 10 CCCE C[C@@H](NCc1ccc(F)cc1O)C(=O)N1CCOCC1 2204731409 DIAZMUQJASTWPG-SNVBAGLBSA-N 282.315 0.868 10 10 CCCE COc1ccc(N2C[C@H]3[C@@H](C2)OC(=O)N3C)c(CO)c1 2236002102 LKMMSABYWIJMKT-QWHCGFSZSA-N 278.308 0.827 10 10 CCCE NCc1ccc(N2C[C@H]3C[C@H](O)[C@H](O)C[C@H]3C2)cc1F 2236979446 MTBJKRCLJDZVNO-AGCIHXOGSA-N 280.343 0.852 10 10 CCCE COC[C@@H]1[C@@H](O)[C@H](O)CN1c1ccc([C@H](C)N)c(C)c1 2285127912 FWSGXBALPMQAGI-CJYSPXJISA-N 280.368 0.572 10 10 CCCE O=C(O)CN(Cc1ccc(O)c(O)c1)[C@@H]1CCOC1 2272603938 ATZYRHFTJLCLHY-SNVBAGLBSA-N 267.281 0.773 10 10 CCCE Cc1cccc(CNS(=O)(=O)CC2(CO)CC2)c1O 2274291281 HIOKOQRUNUVJDK-UHFFFAOYSA-N 285.365 0.893 10 10 CCCE C[C@@H]1O[C@]2(C(=O)NCc3ccccc3O)C[C@@]1(N)C2 2266037478 KUVZBKFOUXTSEH-HERUPUMHSA-N 262.309 0.657 10 10 CCCE CCCS(=O)(=O)N(C)Nc1ncc(C(N)=O)s1 2301546092 JQJQOPVARVXMTF-UHFFFAOYSA-N 278.359 0.241 10 10 CCCE CCN(CCN=[N+]=[N-])C(=O)[C@@H]1CO[C@@H]2COC[C@H]21 2315990541 ZTQYQXHGDNWMOL-IVZWLZJFSA-N 254.290 0.807 10 10 CCCE CCN(CCN=[N+]=[N-])C(=O)[C@H](NC(N)=O)C(C)C 2315986695 HFNUQKJPSINSAA-MRVPVSSYSA-N 256.310 0.838 10 10 CCCE CCN(CCN=[N+]=[N-])C(=O)[C@H]1COC[C@H]1C(=O)O 2316418586 MRMWYLSOMZGHLG-JGVFFNPUSA-N 256.262 0.492 10 10 CCCE COC[C@H]1[C@@H](O)[C@@H](O)CN1c1ccc(OC)c(F)c1 2333691316 SVIFPLTZNJZXGF-GMXVVIOVSA-N 271.288 0.391 10 10 CCCE CS(=O)(=O)[C@@H]1CC[C@H]1NC(=O)Nc1ccc(N)cc1 2342718655 GOJIXIGGRNEVRO-GHMZBOCLSA-N 283.353 0.966 10 10 CCCE NC[C@](CF)(NCc1ccc2c(c1)CCO2)C(=O)O 2351447922 BPDLSHZTXNPUBB-ZDUSSCGKSA-N 268.288 0.463 10 10 CCCE O=C(CN(CCO)C1CC1)c1ccc(O)c(O)c1 50158155 LOMDHABHQSOAMC-UHFFFAOYSA-N 251.282 0.737 10 10 CCCE CN(C)c1ccc(CNC(=O)CSC[C@@H](O)CO)cc1 177415157 CAGKVEDFIMZVKD-ZDUSSCGKSA-N 298.408 0.455 10 10 CCCE NS(=O)(=O)c1cc(Br)cc(F)c1O 307029169 LWWVVLVRXMJOCM-UHFFFAOYSA-N 270.079 0.941 10 10 CCCE CNC(=O)[C@H]1CNCCN1[C@@H](C)c1ccc(N(C)C)cc1 89082987 ALTWICBMJKRDNB-SWLSCSKDSA-N 290.411 0.833 10 10 CCCE CC(=O)N[C@H]1CCCN(C(=O)COc2ccc(N)cc2)C1 40328251 QRNCQXBORQOHHE-ZDUSSCGKSA-N 291.351 0.775 10 10 CCCE COc1cc2c(cc1OC)N(CCCN)CCNC2=O 527432072 PCICUCJTPBAKMY-UHFFFAOYSA-N 279.340 0.602 10 10 CCCE CCN(C(=O)c1ccnc2c1CC(=O)N2)c1cnn(C)c1 616713910 WOYKEHSGGYCSSQ-UHFFFAOYSA-N 285.307 0.976 10 10 CCCE CC(=O)C(=O)COC(=O)c1ccc2c(c1)nc(O)n2C 808508624 AKATZSJZTJYOHZ-UHFFFAOYSA-N 276.248 0.594 10 10 CCCE COc1cc(N)c(N2C[C@@H](O)[C@H](OC)C2)cc1OC 396004804 MNMGUWWPVPAFED-ZWNOBZJWSA-N 268.313 0.482 10 10 CCCE CN(Cc1ccccc1O)C(=O)NC1COCCOC1 813819315 YZTGDUJZTSHLHI-UHFFFAOYSA-N 280.324 0.949 10 10 CCCE CS(=O)(=O)N1CC[C@H](C[C@@H](O)Cc2ccc(N)cc2)C1 696495961 OYWMBVCYCSWTSD-OCCSQVGLSA-N 298.408 0.844 10 10 CCCE NC[C@H]1CC[S@](=O)(=NC(=O)Cc2ccc(N)cc2)C1 1876441771 HXBNKNCKQIAIGQ-NSPYISDASA-N 281.381 0.785 10 10 CCCE CCN[C@@H]1CCN(C(=O)COc2ccc(N)cc2)C1 1876483009 NEJQLUBHKYZEAR-GFCCVEGCSA-N 263.341 0.858 10 10 CCCE COc1cccc(O)c1CN[C@@H]1CCCN(CCO)C1 1963442234 RASRGOIIYHLLCW-GFCCVEGCSA-N 280.368 0.947 10 10 CCCE CN(C)c1ccc(CN2CC[C@H](O)[C@@H](CO)C2)cc1 1195213762 HUCYEXJBLBKBBF-HIFRSBDPSA-N 264.369 0.928 10 10 CCCE CCN(C[C@@H](C)O)C(=O)Cc1ccc(O)c(O)c1 1963704882 VOJKPQOLBGITNI-SECBINFHSA-N 253.298 0.870 10 10 CCCE COc1ccc(CNC[C@@H]2CCC(=O)N2)c(O)c1 79952522 HGIXJMKZSFLFHD-JTQLQIEISA-N 250.298 0.769 10 10 CCCE CN(C)c1ccc(CNC(=O)c2c(N)cnn2C)cc1 725128960 FDMZMHFDGIQRME-UHFFFAOYSA-N 273.340 0.998 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CC2(CCCNC2)C1 709790369 PJYCEOJRVHSNIN-UHFFFAOYSA-N 262.309 0.923 10 10 CCCE NCC1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 712577858 IWLNRZHPGJNSCF-UHFFFAOYSA-N 278.268 0.321 10 10 CCCE CN(C)C[C@@H](O)CNC(=O)CCc1ccc(N)cc1 717391826 CJLIBEGYFSQCHQ-ZDUSSCGKSA-N 265.357 0.240 10 10 CCCE CN(C)C[C@H](N)CN(C)C(=O)c1ccc(O)c(O)c1 690176476 DGANPWGSLZBFAA-JTQLQIEISA-N 267.329 0.059 10 10 CCCE CO[C@]1(C)C[C@H]1NS(=O)(=O)Cc1ccc(N)cc1 694439556 SAEHUJFPAOURPM-VXGBXAGGSA-N 270.354 0.866 10 10 CCCE CCO[C@H]1CS(=O)(=O)C[C@H]1N(C)c1ccc(CN)cc1 697071581 DOUHZNWKEPTEBR-KGLIPLIRSA-N 298.408 0.784 10 10 CCCE O=C1CC[C@@H]2[C@@H]1[C@@H]2C(=O)NCc1cccc(O)c1O 1350316503 YHMBZWXECNFUGU-JFUSQASVSA-N 261.277 0.939 10 10 CCCE Nc1cccc(C(=O)O)c1N[C@@H]1[C@H]2CS(=O)(=O)C[C@H]21 2118017285 UZYBPCBWHZJECV-MBTKJCJQSA-N 282.321 0.422 10 10 CCCE C[C@H](Oc1ccc(N)cc1)C(=O)NC(C)(C)CO 1860082835 VDMITSGKFCQMSQ-VIFPVBQESA-N 252.314 0.923 10 10 CCCE CN(c1cc(Cl)c(CN)cc1F)[C@@H]1CC(=O)NC1=O 2120881482 MDZUAZIVOMIAAF-SNVBAGLBSA-N 285.706 0.789 10 10 CCCE CN1CC[C@H](C(=O)NCc2cc(O)ccc2O)C1 1558174029 BXSFVJZFYJEZMK-VIFPVBQESA-N 250.298 0.666 10 10 CCCE CC1(C)[C@H](O)[C@@H](O)CN1CCOc1ccc(N)cc1 2124802837 SXDQIUKJEOODLL-QWHCGFSZSA-N 266.341 0.464 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1CCCS1(=O)=O 1569097463 ABNWEBJNCPJBRF-JTQLQIEISA-N 299.348 0.334 10 10 CCCE [N-]=[N+]=NCC1CCN(CC(=O)N2CCNC2=O)CC1 1912204501 KCAXFQFKCBZGCU-UHFFFAOYSA-N 266.305 0.561 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CCN(C(=O)C2CC2)C1 1570445019 WEAREDWJXQYQNU-UHFFFAOYSA-N 290.319 0.679 10 10 CCCE C[C@@H]1C[C@H](C(=O)O)N1C(=O)c1cc(O)nc(O)c1 1913170418 RHDHJWFRYYDPDP-IYSWYEEDSA-N 252.226 0.180 10 10 CCCE OCC1(CO)CN(c2ccc3c(c2)CCC[C@H]3O)C1 2128268268 DMNPYRJFQAJKKU-CQSZACIVSA-N 263.337 0.847 10 10 CCCE C[C@H]1CO[C@H](CO)CN1c1ccc2c(c1)NC(=O)[C@@H]2N 167229569 XDFSKXORUVELIQ-GMOODISLSA-N 277.324 0.225 10 10 CCCE CC(C)[C@@H](CNC(=O)c1cc(O)c(O)c(O)c1)ON 2132409174 CIIBPWKCZVEELK-SNVBAGLBSA-N 270.285 0.448 10 10 CCCE CN[C@H]1CCC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2132402557 DVFNKGMKNJDSTQ-DTWKUNHWSA-N 266.297 0.674 10 10 CCCE O=C1Nc2cc(N3CC[C@@](F)(CO)C3)ccc2[C@@H]1O 1917136949 YCUBKONXKHWCFS-AAEUAGOBSA-N 266.272 0.583 10 10 CCCE Oc1ccc(CN[C@H]2COC3(CCC3)[C@@H]2O)cc1O 2141555550 KBWODQTWDYLXJJ-GXFFZTMASA-N 265.309 0.870 10 10 CCCE O=S1(=O)CC[C@H](CNCc2cc(Cl)ccc2O)N1 1967796337 MPFNCXLUAQGQLX-SNVBAGLBSA-N 290.772 0.827 10 10 CCCE NCC12CC(NC(=O)c3ccc(O)c(O)c3)(CO1)C2 1922197879 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CN(C(=O)CN1C[C@@H]2C[C@H](O)[C@H]2C1)c1ccc(N)cc1 2151393136 NZQPYHJAWPJMGB-BPNCWPANSA-N 275.352 0.544 10 10 CCCE Oc1cccc(CNCCO[C@@H]2CCOC2)c1O 2027287088 NXTCIOKGJSSKMD-LLVKDONJSA-N 253.298 0.993 10 10 CCCE CN1CC[C@@H](NC(=O)[C@H]2CNc3ccccc3N2)C1 300299593 STYSUXMBVOECKU-ZWNOBZJWSA-N 260.341 0.713 10 10 CCCE CO[C@]1(C(=O)NCCOc2ccc(N)cc2)CCOC1 402262204 HMBDEBWTBBUFDW-CQSZACIVSA-N 280.324 0.569 10 10 CCCE Oc1ccc(CNCC[C@@]2(O)CCOC2)cc1O 404207609 UYKJLZCZEVMRSS-CYBMUJFWSA-N 253.298 0.729 10 10 CCCE CN1CCN(CCc2ccc(N)cc2)S1(=O)=O 310438466 VFEHXZHRRKOBTR-UHFFFAOYSA-N 255.343 0.304 10 10 CCCE CN(C)c1ccc(CNC(=O)[C@H](F)C2CNC2)cc1 311553929 JGKKIDJYSYYSIL-CYBMUJFWSA-N 265.332 0.926 10 10 CCCE Cc1cccc(O)c1CN(C)CC(=O)N1CCNCC1 2160785246 YNZJYINBWQHWJG-UHFFFAOYSA-N 277.368 0.564 10 10 CCCE CNCc1ccc(N(C)C[C@H](O)CN(C)C)cc1 690222243 LRWUXRWWWPPLJV-CQSZACIVSA-N 251.374 0.765 10 10 CCCE O=C1Nc2cc(N3CC(O)(C(F)F)C3)c(F)cc2[C@H]1O 2172115469 RSEPBARVRLSCLE-SECBINFHSA-N 288.225 0.627 10 10 CCCE C[C@H](N)c1ccc(N2CCC(CO)(CO)C2)cc1O 694712223 HRKKXTULWXSHJR-JTQLQIEISA-N 266.341 0.593 10 10 CCCE CNC(=O)[C@H]1CCN(c2ccc([N+](=O)[O-])c(CO)c2)C1 398566086 NAEWKAAWCAFOBJ-VIFPVBQESA-N 279.296 0.659 10 10 CCCE O=C(N[C@@H]1CCN(C2COC2)C1)c1ccc(O)c(O)c1 2169584587 UKLGDNAQMJZGOH-SNVBAGLBSA-N 278.308 0.301 10 10 CCCE COc1ccc(CN[C@@H]2CCN(C3COC3)C2)c(O)c1 2169577095 APUNSZHTRONZES-GFCCVEGCSA-N 278.352 0.964 10 10 CCCE O=C1Nc2cc(N3CCO[C@@H]4COC[C@@H]43)ccc2[C@@H]1O 2192649202 XATGYEHEYXFXCZ-XQQFMLRXSA-N 276.292 0.276 10 10 CCCE C[C@H](C(=O)O)N1CC(NCc2ccc(N(C)C)cc2)C1 2188312985 OXALPYRPZQNUSH-LLVKDONJSA-N 277.368 1.000 10 10 CCCE CC1(C)C[C@H](O)[C@@H](O)CN1C(=O)c1cccc(O)c1O 2188682414 YKLMACFYXPSOIX-QWRGUYRKSA-N 281.308 0.444 10 10 CCCE O=C(N[C@@H]1CNC[C@H]1C(F)F)c1cc(O)c(O)c(O)c1 2193242932 PFQACAFOIZHYPL-RNFRBKRXSA-N 288.250 0.386 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@H]2C[C@H]1CC[C@@H]2O 2188867951 JSFVHIONCVPDPG-BBBLOLIVSA-N 279.292 0.789 10 10 CCCE O=C(N[C@@H]1CNCC12CCC2)c1cc(O)c(O)c(O)c1 2188922314 GWZGXTGYPHADAD-LLVKDONJSA-N 278.308 0.675 10 10 CCCE Cc1cc(O)ccc1NS(=O)(=O)N1CC(CN)C1 2042996392 TWDADKAJIOUGPX-UHFFFAOYSA-N 271.342 0.248 10 10 CCCE [N-]=[N+]=NCCN[C@H](C(N)=O)C1([C@H]2CCCO2)CC1 2045906141 WCFHLFHIENARSS-RKDXNWHRSA-N 253.306 0.699 10 10 CCCE Cc1nc([C@@H](O)[C@@H](N)c2ccc(N(C)C)cc2)nn1C 2190731585 GRRSQBXECIQEMV-STQMWFEESA-N 275.356 0.923 10 10 CCCE CN(C[C@H](O)COc1ccc(N)cc1)C[C@@H]1CCN1C 2186456690 DUMBTQXUCDMYAC-KBPBESRZSA-N 279.384 0.644 10 10 CCCE CCOC(=O)c1cccc(N)c1N[C@@H]1CCOC[C@@H]1N 2191691476 ZWUHKCNWPYJINL-NWDGAFQWSA-N 279.340 0.974 10 10 CCCE COc1cc(N)c(N2CCn3nncc3C2)cc1OC 2186608786 VNLPAHVLADKQBX-UHFFFAOYSA-N 275.312 0.898 10 10 CCCE O=C(N[C@H]1CCOC[C@@H]1F)c1ccc(O)c(O)c1 2066714054 QRBSEAJNAPDACC-IUCAKERBSA-N 255.245 0.955 10 10 CCCE C[S@@](=O)(CCN)=NC(=O)COc1ccc(N)cc1 2071678151 FBMHMBDXQZEXHL-GOSISDBHSA-N 271.342 0.231 10 10 CCCE NC[C@@H](CNC(=O)c1cccc(O)c1O)C(F)(F)F 2105249262 SMQAZLCTFCIRNR-LURJTMIESA-N 278.230 0.965 10 10 CCCE NC(=O)[C@@H]1C[C@@H](N)CN(c2ccc3c(c2)CCO3)C1 2106381455 DUVVGYAADSYGNA-GHMZBOCLSA-N 261.325 0.260 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CCC[C@@H]2NCC[C@@H]21 2087391088 ZTXONKMITNIGJC-UWVGGRQHSA-N 263.297 0.459 10 10 CCCE NC(=O)CO[C@H]1CCN(Cc2cc(N)ccc2O)C1 2089134925 HEPMLAXCXASXJF-NSHDSACASA-N 265.313 0.051 10 10 CCCE C[C@H]1C[C@@H]1N(CCO)CC(=O)c1ccc(O)c(O)c1 2110790525 UXKOAEWILZUHAO-ONGXEEELSA-N 265.309 0.983 10 10 CCCE COC[C@H](CC(=O)O)NC(=O)Cc1ccc(N)cc1 2092768679 SUIRVUJZHGQYEV-NSHDSACASA-N 266.297 0.417 10 10 CCCE C[C@H]1[C@@H](N)[C@H](C)CCN1C(=O)c1cc(O)nc(O)c1 2095699581 QBUGFVNARWCIII-LWINAJNOSA-N 265.313 0.691 10 10 CCCE NC(=O)C1(N)CCN(Cc2ccc(Cl)cc2O)CC1 2098050645 XCAQEZWNKBLYLU-UHFFFAOYSA-N 283.759 0.824 10 10 CCCE CN(C(=O)c1cc(O)nc(O)c1)[C@H]1CCC[C@@H](N)C1 2099839003 LRVNERKZNHPPAX-ZJUUUORDSA-N 265.313 0.835 10 10 CCCE NC1CN(Cc2nc(-c3ccc(O)c(O)c3)no2)C1 2112977616 JNCHJWGJWDTWEA-UHFFFAOYSA-N 262.269 0.291 10 10 CCCE C[C@H](N)c1ccc(N2CCN(CCO)C(=O)C2)cc1 2114626965 QIVAQIKPFWJWHH-NSHDSACASA-N 263.341 0.347 10 10 CCCE C[C@@H](NC1CN(C2COC2)C1)c1cc(O)ccc1O 2114713230 DCRJOXRATVGWJV-SECBINFHSA-N 264.325 0.831 10 10 CCCE CCNC(=O)[C@H]1CNCCN1Cc1ccc(F)cc1O 2204626946 XVJZEXNNDOVHNT-GFCCVEGCSA-N 281.331 0.441 10 10 CCCE OCc1ccc(N2C[C@H](CO)C[C@@H](CO)C2)cc1 2221113137 PMXXYRKQGUKRKH-CHWSQXEVSA-N 251.326 0.606 10 10 CCCE C[C@]1(O)C[C@H]2[C@H]1CCN2C(=O)c1cc(O)c(O)c(O)c1 2233823234 BYJLFDIBKCRXLJ-ITMYJUKJSA-N 279.292 0.789 10 10 CCCE [N-]=[N+]=N[C@H]1CCC[C@H]1NC(=O)Cc1cc(O)nc(O)n1 2234173627 YQTDLXASMAGFAG-SFYZADRCSA-N 278.272 0.778 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1C[C@@H]2COC[C@@]2(CO)C1 2234588143 ZAVJHYIVWPPPOG-YGRLFVJLSA-N 279.292 0.179 10 10 CCCE COC[C@@H]1[C@@H](O)[C@@H](O)CN1c1ccc(CN)cc1Cl 2225699774 GMRPBACAIOQLKY-FRRDWIJNSA-N 286.759 0.356 10 10 CCCE CN(C)c1ccc(O[C@]2(C(=O)O)CCOC[C@@H]2N)cc1 2237686271 BWMMYWHUBIZOGE-GXTWGEPZSA-N 280.324 0.702 10 10 CCCE COc1ccc(N2C[C@@H]3NC(=O)O[C@H]3C2)c(C=O)c1 2227693708 ZTRDCIPQMDTRTD-JQWIXIFHSA-N 262.265 0.805 10 10 CCCE C[C@@H]1CN(CCNC(=O)Cc2ccc(N)cc2)C(=O)N1 2239257421 BEHBPTNFNRWEMF-SNVBAGLBSA-N 276.340 0.341 10 10 CCCE CO[C@H](C(=O)NCc1cnc(SC)s1)C1CNC1 2257074178 IAJPHKCHEZDXMH-VIFPVBQESA-N 287.410 0.716 10 10 CCCE COC(=O)N[C@@H](C)CNC(=O)c1cccc(O)c1O 2274570184 KMHMHQRFOGMMLS-ZETCQYMHSA-N 268.269 0.572 10 10 CCCE COc1ncc([C@H](O)[C@@H](N)c2ccccc2O)cn1 2266814037 IZUBMFWBHGXMIA-RYUDHWBXSA-N 261.281 0.924 10 10 CCCE CS(=O)(=O)C1CC(C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)C1 2269869123 JSYMAOLLCOMPOC-IDKOKCKLSA-N 286.357 0.968 10 10 CCCE CCN(CCN=[N+]=[N-])C(=O)[C@@H]1[C@@H]2CS(=O)(=O)C[C@@H]21 2315992005 GDHCAQXBRKNBNR-AYMMMOKOSA-N 272.330 0.436 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)[C@H]1NC[C@@H]2C[C@H]12 2328874849 UTGBDQINLLCQLZ-KWBADKCTSA-N 262.309 0.364 10 10 CCCE N[C@@H]1CCc2cc(N3C[C@@H]4C[C@H]3[C@@H](O)[C@H]4O)ccc21 2331550795 QCLPIYXDUHSAHT-ZRXSREQCSA-N 260.337 0.563 10 10 CCCE C[C@@H](NC(=O)[C@@H]1COCC[C@@H]1N)c1ccccc1O 2332172830 LCAAKYULXQUECB-JLLWLGSASA-N 264.325 0.933 10 10 CCCE Nc1ccc(CCN2CC[C@@H]3C[C@H]2[C@H](O)[C@@H]3O)cc1 2332600173 ZJXINJOPTFWSGH-BEAPCOKYSA-N 262.353 0.627 10 10 CCCE O=C(NC[C@@H]1[C@H]2CN[C@@H]1C2)c1cc(O)c(O)c(O)c1 2333095085 LNNSSRDEGZYXFR-IWSPIJDZSA-N 264.281 0.141 10 10 CCCE CC[C@H](N)c1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CF)cc1 2333237305 ZYRBXCRPIGLDDW-DGAVXFQQSA-N 268.332 0.976 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN1C(=O)[C@@H]1COC[C@@H]1C(=O)O 2338347645 JVOSFTVMGFMKFB-HLTSFMKQSA-N 268.273 0.635 10 10 CCCE CCC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 36473287 AQESIQPVORIUAV-QMMMGPOBSA-N 253.254 0.620 10 10 CCCE CCCNC(=O)CN(C)C[C@H](O)COc1ccc(N)cc1 49026045 XIOFARPUAQSSNI-ZDUSSCGKSA-N 295.383 0.467 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CCC[C@@H](CO)C1 227017883 ZZUPFIOGKURKGM-SECBINFHSA-N 251.282 0.942 10 10 CCCE COc1ccc(N2CC(=O)NC(=O)C2)cc1Br 88322562 DMQQPOWDDZPFNL-UHFFFAOYSA-N 299.124 0.921 10 10 CCCE C[C@H](O)C(C)(C)NC(=O)COc1ccc(N)cc1 144716658 NRBBBDLXPOBYGL-VIFPVBQESA-N 252.314 0.923 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3CC[C@@H](O)C3)c(Cl)cc21 92751736 MXSPXVQRYBTQSI-KSBSHMNSSA-N 267.716 0.863 10 10 CCCE COc1cccc(CNC(=O)[C@@H]2CCCN(C)C2=O)c1O 901127602 MINREVJGSBWFQC-NSHDSACASA-N 292.335 0.885 10 10 CCCE Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)c(O)c1O 846562042 SDKPACDJHCOJLU-OCCIGCLGSA-N 281.333 0.752 10 10 CCCE CN1C[C@@H](C(=O)NCc2ccc(N(C)C)cc2)NC1=O 854271953 WTJVDIQGAOPFIB-LBPRGKRZSA-N 276.340 0.392 10 10 CCCE O=C(NCCCn1ccnn1)c1cc(O)cs1 753504870 KHPVJXOQDVKKGW-UHFFFAOYSA-N 252.299 0.865 10 10 CCCE O=C(NCCN1CCOCC1)N1Cc2cccc(O)c2C1 864415296 HDWLERSWILVTBA-UHFFFAOYSA-N 291.351 0.750 10 10 CCCE C[C@@H](C1CNC1)N(C)S(=O)(=O)Cc1ccc(N)cc1 1876175182 ZJWGIZANYBFCBO-JTQLQIEISA-N 283.397 0.638 10 10 CCCE COc1ccc(N2CCN(C(=O)/C=C/C(N)=O)CC2)cc1 778217044 BZXSBHXYSOZGND-VOTSOKGWSA-N 289.335 0.385 10 10 CCCE NC[C@H]1CC[C@H]1NC(=O)CCOc1ccc(N)cc1 1876663038 UJOXOZUGQGVCHN-ZWNOBZJWSA-N 263.341 0.891 10 10 CCCE CC(=O)C(=O)COC(=O)c1n[nH]c2c1C[C@H](C)CC2 885886753 BQNAURGBXZVOBM-SSDOTTSWSA-N 264.281 0.849 10 10 CCCE Nc1ccc(CC(=O)N[C@H]2CCOC[C@H]2CO)cc1 1878773114 AVBFVRDXSUMGQT-YPMHNXCESA-N 264.325 0.325 10 10 CCCE CN[C@@H]1CCSC[C@@H]1NC(=O)c1cc(O)nc(O)c1 1896243684 RHNWKFZKXNVBIF-BDAKNGLRSA-N 283.353 0.316 10 10 CCCE COC[C@@H](C)NC(=O)COCc1ccc(N)cc1 49290024 IDWZAEOBHDTRBI-SNVBAGLBSA-N 252.314 0.937 10 10 CCCE Cn1ccc(=NC(=O)Cc2ccc(O)c(O)c2)nc1O 1164199294 VDKRVOQZOSXQRB-UHFFFAOYSA-N 275.264 0.207 10 10 CCCE CS(=O)(=O)N1CCC(NCc2ccc(N)cc2)CC1 1963495817 WSKBMLSMUFJNRC-UHFFFAOYSA-N 283.397 0.782 10 10 CCCE O=C(NCCN1CCOC1=O)c1cccc(O)c1O 1963590229 FPHAJIFUKQTCRB-UHFFFAOYSA-N 266.253 0.280 10 10 CCCE O=c1ccc([C@@H]2NCCc3c2cc(O)c(O)c3O)c[nH]1 83658279 OREVJSJWIIJRBS-LBPRGKRZSA-N 274.276 0.727 10 10 CCCE Cn1nccc1C(=O)NCCOc1ccc(N)cc1 61665323 JADCRXMJWGLFRI-UHFFFAOYSA-N 260.297 0.811 10 10 CCCE O=C(c1cccc(O)c1O)N1CC2(CCCNC2)C1 709791120 UAQVENYRAYEBBQ-UHFFFAOYSA-N 262.309 0.923 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCCOC1CC1 715000152 JYLVSRVDNFIXEL-NSHDSACASA-N 280.324 0.263 10 10 CCCE CN1CC[C@](C)(NC(=O)c2cccc(O)c2O)C1 716543354 USHMPSWFTMILKF-ZDUSSCGKSA-N 250.298 0.922 10 10 CCCE c1cc2c(cc1CNCCCc1nnn[nH]1)CCO2 95108981 CUNXXFWVVSAWOM-UHFFFAOYSA-N 259.313 0.857 10 10 CCCE N[C@H](Cc1ncns1)C(=O)NCc1ccccc1O 2115683858 QMUSTFXEBOSVHB-SECBINFHSA-N 278.337 0.430 10 10 CCCE CN=c1[nH]cc(F)c(=NCCc2ccc(N)cc2)[nH]1 2117366847 DBLQBUIKLDCVHP-UHFFFAOYSA-N 261.304 0.738 10 10 CCCE COc1cccc(CN[C@H]2CCO[C@H]2C(N)=O)c1O 2117464058 VTZCOJMBRDEGRC-JOYOIKCWSA-N 266.297 0.133 10 10 CCCE COc1cccc(CN2C[C@@H]3NC(=O)O[C@@H]3C2)c1O 2120405610 MPSWTFPOPSGBPK-GXSJLCMTSA-N 264.281 0.693 10 10 CCCE O=C(CC1OCCCO1)NCc1c(O)cccc1O 1472063256 INPWYMRMLRKNFW-UHFFFAOYSA-N 267.281 0.867 10 10 CCCE COc1nccc(C(=O)NCc2ccc(O)cc2O)n1 1626849070 JNMDDOIIJKNPNF-UHFFFAOYSA-N 275.264 0.826 10 10 CCCE O=C(O)CCC(=O)C(=O)c1ccc2[nH]c(=O)[nH]c2c1 216633303 CAAYIYUWSFIRBP-UHFFFAOYSA-N 262.221 0.473 10 10 CCCE CCN1CCC[C@](NCCN=[N+]=[N-])(C(=O)OC)C1 1912205116 MURDAUOBSSLEQO-LLVKDONJSA-N 255.322 0.914 10 10 CCCE O=C(CN1CCCC1=O)NCc1c(O)cccc1O 1647178922 ZCSZXMAYTTTWDW-UHFFFAOYSA-N 264.281 0.336 10 10 CCCE Cn1c(O)nc(NCc2c(O)cccc2F)cc1=O 1651439042 YASYXLSJURVMPQ-UHFFFAOYSA-N 265.244 0.943 10 10 CCCE CS(C)(=O)=NCCNCc1cc2c(cc1O)OCO2 1913532839 QKXYLACLHXCLBH-UHFFFAOYSA-N 286.353 0.938 10 10 CCCE COc1ncc(C(=O)NCc2cccc(O)c2O)cn1 1593739711 UFIVENMUIRVQRD-UHFFFAOYSA-N 275.264 0.826 10 10 CCCE O=C(CN1CCOC[C@H]1CF)c1ccc(O)c(O)c1 2126173555 ZNIXWPCSLAMUIM-SNVBAGLBSA-N 269.272 0.951 10 10 CCCE O=C(O)CC(F)(F)CNC(=O)c1cc(O)nc(O)c1 2128415785 LZSLOLAQOVUOOJ-UHFFFAOYSA-N 276.195 0.333 10 10 CCCE Nc1ccc(OCC(=O)N2CCN3C(=O)CC[C@H]3C2)cc1 168335941 NJGZEAKQEJINCF-LBPRGKRZSA-N 289.335 0.481 10 10 CCCE CC1(C)CN(C(=O)Cc2ccc(O)c(O)c2)C[C@@H]1O 1556477498 ZXLWKXDGGHHUNK-LBPRGKRZSA-N 265.309 0.870 10 10 CCCE CN(Cc1nc[nH]n1)C(=O)c1cc(O)c(O)c(O)c1 2132349154 ZLJCWONCEBRXMS-UHFFFAOYSA-N 264.241 0.194 10 10 CCCE C[C@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)C[C@H](C)N1 2132413031 JJHDQCQBNWMVLZ-YUMQZZPRSA-N 266.297 0.626 10 10 CCCE N[C@@H]1CCCC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2132413042 JKPFJMMGHPXINF-BDAKNGLRSA-N 266.297 0.803 10 10 CCCE C[C@H](c1c(O)cccc1O)N1CCN[C@H]2COC[C@@H]21 2132558346 FJHXALUNQCCSNB-VWYCJHECSA-N 264.325 0.831 10 10 CCCE O=C(CNCc1cc(Cl)ccc1O)Nc1nc[nH]n1 1857858086 OPFVYTDVQKXNDX-UHFFFAOYSA-N 281.703 0.892 10 10 CCCE O=C(c1cccc(O)c1O)N1CC[C@@H](O)C[C@@H]1CO 2136056988 DOKZHEZLYNINRC-RKDXNWHRSA-N 267.281 0.056 10 10 CCCE Nc1ccc(CCNC(=O)C2[C@H]3CS(=O)(=O)C[C@H]23)cc1 1969320624 MHWSNSCZXDXXME-RYUDHWBXSA-N 294.376 0.218 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC[C@@H]3[C@H](CO)[C@H]3C2)cc1 2149545259 MJFKUXAWTZWYNF-IHRRRGAJSA-N 296.392 0.659 10 10 CCCE CC(C)(C[C@H](N)C(=O)O)c1cc(O)c(O)c(O)c1 1951963234 CUPSEUQZUXOKST-ZETCQYMHSA-N 255.270 0.883 10 10 CCCE COc1ccc2c(c1)C[C@H](CN1CCNCC1)N2C 258006114 IUTQHBDCAAMJTH-CYBMUJFWSA-N 261.369 0.961 10 10 CCCE O=C(c1cccc(O)c1O)N1C[C@H]2CCS(=O)(=O)[C@H]2C1 2145079715 PDRSNXPEBAWKQE-KCJUWKMLSA-N 297.332 0.357 10 10 CCCE COc1ccc(O)c(CN2C[C@@H](N)C[C@@H](C(N)=O)C2)c1 2151020143 AMQGHKSLFUIMTF-MNOVXSKESA-N 279.340 0.035 10 10 CCCE CN(C)[C@@H]1CN(C(=O)CCc2ccc(N)cc2)C[C@H]1O 2146156102 PZJGQXWJEPHFHF-ZIAGYGMSSA-N 277.368 0.335 10 10 CCCE NC(=O)c1cccc(N)c1N[C@@H]1CCC[C@H](C(N)=O)C1 2146208564 PUIYXLMSYKKJKT-DTWKUNHWSA-N 276.340 0.824 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3C[C@H]4C[C@]4(CO)C3)cc21 2146313607 LGXBHNQUJBNPNN-XXLQHYSLSA-N 273.336 0.481 10 10 CCCE Cc1nc(S(=O)(=O)NCc2cc(N)ccc2O)cn1C 50252735 ZLCQETSFOLKZED-UHFFFAOYSA-N 296.352 0.495 10 10 CCCE NCc1ccc(N2C[C@H](CO)C[C@@H]2CO)c(Cl)c1 2029386063 ZHGZUIMMJHAXQG-GHMZBOCLSA-N 270.760 0.978 10 10 CCCE C[C@@H]1CCN(c2ccc(CN)c(F)c2)[C@H]1C(N)=O 2029775965 CJYSUIAJGAIPIT-PRHODGIISA-N 251.305 0.985 10 10 CCCE Nc1ccc(OCC(=O)N[C@@H](CO)C2CC2)cc1 2033128391 ZWHFUNHPBYFZDJ-LBPRGKRZSA-N 250.298 0.535 10 10 CCCE CN(C[C@@H]1CCNC1)C(=O)c1cc(O)nc(O)c1 2036982872 SWRWQXLNWPVYTA-MRVPVSSYSA-N 251.286 0.174 10 10 CCCE C[C@H](O)CN(C[C@H](C)O)c1cc2c(cc1N)OCCO2 2159725540 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CC1(C)[C@@H](O)[C@@H](O)CN1C(=O)CCc1ccc(N)cc1 2181207328 PGOLHUFRFXWDAZ-JSGCOSHPSA-N 278.352 0.544 10 10 CCCE CN1C[C@H](N(C)c2ccc(CO)c([N+](=O)[O-])c2)CC1=O 2188573308 DIJRUOIWPWDRJP-LLVKDONJSA-N 279.296 0.754 10 10 CCCE Cc1nnc(CNC(=O)c2cc(O)c(O)c(O)c2)n1C 2188875035 MXGPNKJTBOJWNH-UHFFFAOYSA-N 278.268 0.170 10 10 CCCE COC[C@@](C)(CO)N(C)C(=O)c1cc(O)c(O)c(O)c1 2188876039 XEFPQQXDGYWTOL-CYBMUJFWSA-N 285.296 0.273 10 10 CCCE O=C(N[C@@]12CCCNC[C@H]1C2)c1cc(O)c(O)c(O)c1 2188927807 HJPOSMKYIQQKNR-YMTOWFKASA-N 278.308 0.675 10 10 CCCE CC[C@H](CC(=N)NO)NC(=O)c1cc(O)c(O)c(O)c1 2188917457 XDTDHYKRVAWJMJ-SSDOTTSWSA-N 283.284 0.658 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC[C@]23C[C@@H](CO)C3)cc1 2182219889 DBFGTEMYJTUOJC-MQMHXKEQSA-N 296.392 0.945 10 10 CCCE C[C@H](N[C@H](C(=O)O)C1CS(=O)(=O)C1)c1ccccc1O 2197525798 PFSUSFLSXXLZTR-UFBFGSQYSA-N 299.348 0.541 10 10 CCCE O[C@H]1CCCc2cc(N3C[C@@H]4C[C@H]3[C@H](O)[C@H]4O)ccc21 2184693090 LXMIHCJATJJZMU-QZXGQWDYSA-N 275.348 0.987 10 10 CCCE O=C(C[C@H]1CNC2(CC2)CO1)NCc1ccccc1O 2185062516 KSKMYKHSWHQWSQ-LBPRGKRZSA-N 276.336 0.920 10 10 CCCE Nc1ccc(OCCN2C[C@@H](O)C[C@H](O)C2)cc1 2043186650 GISIZYRKEMIXDF-RYUDHWBXSA-N 252.314 0.075 10 10 CCCE Oc1ccc(CN2C[C@@H](O)CC23CNC3)cc1O 2066539220 VCWZOVOSMSOUPQ-JTQLQIEISA-N 250.298 0.006 10 10 CCCE CCN1CC[C@H](NCc2cc(O)c(O)c(O)c2)C1 2068607837 HLUXSICPORWUPY-JTQLQIEISA-N 252.314 0.987 10 10 CCCE C[C@@H](N)c1cc(F)c(N2CCNC(=O)C2)c(F)c1 2074208226 KFSPVCUJCSKZIJ-SSDOTTSWSA-N 255.268 0.921 10 10 CCCE C[C@]1(O)CN(C(=O)CCc2ccc(N)cc2)CC[C@@H]1O 2201491751 CTJCUEDTADDZOK-ZFWWWQNUSA-N 278.352 0.546 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)[C@@H]1CO[C@H]2COC[C@H]12 2101887674 ZBEVIDJKFQDHOX-ZDCRXTMVSA-N 266.301 0.949 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@H]1CCOC[C@H]1N 2102773174 HQPMVHLHXLBFRV-NWDGAFQWSA-N 264.325 0.714 10 10 CCCE [N-]=[N+]=N[C@H]1CCCN(S(=O)(=O)N2CCC[C@@H]2CO)C1 2105535842 DNQKNCSFTGOVQG-VHSXEESVSA-N 289.361 0.463 10 10 CCCE OC[C@H]1CNCCN1c1ccc2c(c1)OCCCO2 2106376734 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CN1CCOC[C@@H]1C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-] 2218738832 RJZVDIZDENELHZ-KXUCPTDWSA-N 253.306 0.665 10 10 CCCE NCCCN1CCN(Cc2c(O)cccc2F)CC1 2226063521 JPUQDEKDRSOHOZ-UHFFFAOYSA-N 267.348 0.998 10 10 CCCE OC[C@H]1C[C@H](O)CCN1c1ccc2c(c1)OCCO2 2226779521 HQRRCTYOQIKBLF-VXGBXAGGSA-N 265.309 0.780 10 10 CCCE COc1ccc(N2CC[C@H](O)C[C@@H]2CO)c(CO)c1 2227675570 JOEYNCOERZYVQQ-NEPJUHHUSA-N 267.325 0.510 10 10 CCCE COc1ccc(N2C[C@@H](O)[C@H](N(C)C)C2)c(CO)c1 2227710065 BAPYYEMQWXLIOE-ZIAGYGMSSA-N 266.341 0.299 10 10 CCCE NCc1ccc(N2C[C@H]3OCC[C@@]3(CO)C2)cc1F 2278892495 JPYSDGTYOTVHIG-KGLIPLIRSA-N 266.316 0.872 10 10 CCCE CSc1ncc(CNCC2(O)CC(N)C2)s1 2243858302 ZMBCFMSWBCTGHU-UHFFFAOYSA-N 259.400 0.807 10 10 CCCE Nc1ccc(N2C(=O)N[C@@H]([C@H](O)C(F)(F)F)C2=O)cc1 2280105251 STMRTNHGMLJIFA-YUMQZZPRSA-N 289.213 0.617 10 10 CCCE Nc1ccc(CC(=O)N[C@H]2CC[C@@H](C(N)=O)CC2)cc1 2287859794 SWIQEXKSKJBZSE-BJHJDKERSA-N 275.352 0.972 10 10 CCCE CN(C(=O)c1ccc(O)c(O)c1)[C@H]1CNC[C@H]1F 2320522659 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CC1(C)OCCO[C@@H]1[C@@H](O)[C@H](N)c1ccccc1O 1889174611 VZGBIUFKGXLJRY-FRRDWIJNSA-N 267.325 0.947 10 10 CCCE Nc1ccc(Cc2nn3c(=O)cnnc3s2)cc1 82719661 CPRAVCJLABBXRM-UHFFFAOYSA-N 259.294 0.719 10 10 CCCE COc1cccc([C@H](C(=O)O)N2C(=O)CCC2=O)c1O 83587862 KOVSBYOGWMEBQM-LLVKDONJSA-N 279.248 0.676 10 10 CCCE CN(C)c1ccc([C@@H](N)c2nnc([C@H](O)CO)o2)cc1 83585577 JXIQHZSWHFMRLC-GHMZBOCLSA-N 278.312 0.209 10 10 CCCE COC(=O)[C@H](O)CCNCc1cc(OC)ccc1O 83513200 FIWDSMLJHLHNHT-GFCCVEGCSA-N 269.297 0.414 10 10 CCCE C[C@@H](c1cc(O)ccc1O)N1CCN(C)[C@@H](C(=O)O)C1 686095258 CWMWFTZFQNOYST-JOYOIKCWSA-N 280.324 0.859 10 10 CCCE CN1CCN(Cc2ccc(O)cc2O)C[C@@H]1C(=O)O 686100250 HLDOODJTNOUTRD-LLVKDONJSA-N 266.297 0.298 10 10 CCCE COC[C@H]1CN(c2ccc3c(c2)NC(=O)[C@H]3N)CCO1 705790099 YNQGEEVGUWYBKW-MFKMUULPSA-N 277.324 0.490 10 10 CCCE O=C(N[C@]12CCC[C@@H]1CNC2)c1ccc(O)c(O)c1 711253857 BDBVYYOTOMLNQY-YGRLFVJLSA-N 262.309 0.970 10 10 CCCE O=C(O)[C@H]1OCC[C@H]1CNCc1ccc(O)cc1O 716292768 UVWWVFYCPWWUBM-CABZTGNLSA-N 267.281 0.677 10 10 CCCE C[C@H]1C[S@](=O)CCN1C(=O)COc1ccc(N)cc1 2115320904 GQTKJYWKKGZMQE-APBUJDDRSA-N 282.365 0.627 10 10 CCCE COc1ccc(N2CC[C@H](CO)[C@@H](N)C2)cc1OC 2122381588 NVVLCLXFCQSPFQ-PWSUYJOCSA-N 266.341 0.850 10 10 CCCE CC(=O)NCCCN[C@H](C(=O)O)c1ccc(N(C)C)cc1 211920021 XPVBLSRWHYAWHF-AWEZNQCLSA-N 293.367 0.994 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CCN2CCOC[C@H]2C1 1567416954 DSUNZYZDDSLUSQ-GFCCVEGCSA-N 292.335 0.183 10 10 CCCE C[C@H]1CN(C(=O)CN(C)CCN=[N+]=[N-])C[C@H](C)O1 1912150453 TVLIZUBXYJDXHX-UWVGGRQHSA-N 255.322 0.864 10 10 CCCE CN1C[C@@H]2[C@@H](CCC[C@]2(NCCCN=[N+]=[N-])C(N)=O)C1 1912157248 SDLZHBXYXSLWHY-DMDPSCGWSA-N 280.376 0.862 10 10 CCCE CCN[C@@H](CO)CNC(=O)c1ccc(N=NC(N)=O)cc1 1571447737 HRYJDDHUVXQQAO-LLVKDONJSA-N 293.327 0.549 10 10 CCCE C[C@H]1C[C@@H](C(=O)O)N1C(=O)c1cccc(O)c1O 1913162200 VXWUSZLEGHVQQZ-XPUUQOCRSA-N 251.238 0.785 10 10 CCCE Cn1ncc(C(=O)NCc2c(O)cccc2F)c1N 1596913467 ZPUBXEBZZFDSHQ-UHFFFAOYSA-N 264.260 0.777 10 10 CCCE COc1cc(C)c(N(C)C(CO)CO)c(OC)c1 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Cc1cc(CNC2CC2)ccc1OCC(=O)NC(N)=O 2155011963 BNOIFSPKAVWXCF-UHFFFAOYSA-N 277.324 0.821 10 10 CCCE CO[C@H]([C@@H]1CCOC1)[C@H](NN)c1ccccc1O 2032892175 GCZNXAVNZWZDPR-OASPWFOLSA-N 252.314 0.948 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1C[C@H]1C(=O)O 2039781586 OUNQBHBZYZRGBC-SFYZADRCSA-N 251.238 0.230 10 10 CCCE C[C@H]1C[C@H](O)CN(C(=O)c2cc(O)nc(O)c2)C1 401590749 QWUPBLVAXQAXCZ-CBAPKCEASA-N 252.270 0.336 10 10 CCCE CN1CC[C@H](OC(=O)COc2ccc(N)cc2)C1 310711383 CRHQFFSWLBIZDM-LBPRGKRZSA-N 250.298 0.895 10 10 CCCE CCOc1cccc(CN[C@H]2COC[C@H]2O)c1O 323903072 YVJFUJYONATFLR-WDEREUQCSA-N 253.298 0.640 10 10 CCCE CN1C[C@H]2C[C@H]1CN(c1ccc3c(c1)NC(=O)[C@@H]3O)C2 2160682658 AZHHSQXCLBELON-OLUVUFQESA-N 273.336 0.812 10 10 CCCE COC(=O)[C@@](C)(NCCN=[N+]=[N-])c1cnn(C)c1 710074722 MPAHAZOHYSHFNO-JTQLQIEISA-N 252.278 0.708 10 10 CCCE CN[C@H]1CCOC[C@H]1NC(=O)c1cccc(O)c1O 717201706 XDESZDZVMDEBGS-VHSXEESVSA-N 266.297 0.205 10 10 CCCE C[C@@H]1[C@H](CO)CCN1CC(=O)N(C)c1ccc(N)cc1 385931909 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C[C@H](c1ccc(O)cc1O)N1CC[C@](CO)(C(=O)O)C1 2201089974 VPRXQKUJDKGTCC-OTYXRUKQSA-N 281.308 0.928 10 10 CCCE C[C@@H](c1ccccc1O)N1C[C@H](O)C[C@@H]1C(=O)O 2080575597 ZWARBQBWMGDUQL-IQJOONFLSA-N 251.282 0.973 10 10 CCCE C[C@H](c1c(O)cccc1O)N1C[C@H](N)[C@H]2COC[C@H]21 2102141504 OBSNSAQZAXUDDA-CHWFTXMASA-N 264.325 0.817 10 10 CCCE N[C@@H]1CN(Cc2ccc(F)cc2O)[C@@H]2COC[C@H]12 2084072620 XGNFFMABWYLJSW-IJLUTSLNSA-N 252.289 0.689 10 10 CCCE CNC(=O)[C@@H]1CNCCN1c1ccc(OC)cc1C 2106347188 WAPXQEZGTRHFLP-ZDUSSCGKSA-N 263.341 0.528 10 10 CCCE CCN1CCc2cc([C@@H](N)Cn3cnnn3)ccc21 2106805075 JCJIAIWUBSZNJO-LBPRGKRZSA-N 258.329 0.756 10 10 CCCE CN1CCN(c2ccc3c(c2)NC(=O)[C@@H]3O)[C@H]2C[C@H]21 2112102260 ROIHWKUOCXCIQK-FRRDWIJNSA-N 259.309 0.565 10 10 CCCE CN1C(=O)[C@@H](O)c2ccc(N3CC[C@@]3(C)CO)cc21 2097247626 ORXYUQDBZPDYSB-JSGCOSHPSA-N 262.309 0.658 10 10 CCCE O=C1Nc2cc(N3C[C@H](O)C34CCC4)c(F)cc2[C@@H]1O 2201409913 VQRHHHMMKQXSDC-RYUDHWBXSA-N 278.283 0.915 10 10 CCCE CCN(c1ccc(CNC)cc1)[C@H]1CC(=O)NC1=O 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298.316 0.795 10 10 CCCE Nc1ccc(O)c(CNC(=O)[C@H]2Cc3nncn3C2)c1 2167747188 NDIVXSVEDHEIEM-VIFPVBQESA-N 273.296 0.055 10 10 CCCE Cn1c(N)c(NCCc2ccc(N)cc2)c(O)nc1=O 2162299247 JFXCEWAZEJGEOS-UHFFFAOYSA-N 275.312 0.305 10 10 CCCE Nc1ccc(OC[C@@H](O)CN2C[C@@H]3C[C@H]2CO3)cc1 718353211 IAGXIELCRICJON-OBJOEFQTSA-N 264.325 0.482 10 10 CCCE O=C(N[C@@H]1CNC[C@H]1C(F)F)c1ccc(O)c(O)c1 1878726327 PSKUJMIYQMCBBO-HTQZYQBOSA-N 272.251 0.681 10 10 CCCE CN1CCN(C)[C@@H](CNC(=O)Cc2ccc(O)c(O)c2)C1 1136761695 UHYLPMYUZPSERZ-LBPRGKRZSA-N 293.367 0.002 10 10 CCCE OCC1(CO)CCN1c1ccc2c(c1)CCC[C@H]2O 1879987000 OQIYVXZWWKNAPV-CQSZACIVSA-N 263.337 0.990 10 10 CCCE COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)c1cccc(O)c1O 1302574297 WNCPYPZGGGOWRG-PRHODGIISA-N 295.291 0.406 10 10 CCCE CC[C@H](CCN)NC(=O)c1cc(OC)nc(OC)c1 1886760373 BAWDWOAOEXCOHM-SNVBAGLBSA-N 267.329 0.956 10 10 CCCE Nc1ccc(CN2C(=O)NC3(CCNCC3)C2=O)cc1 57848762 YCXHBLDIRHJMCI-UHFFFAOYSA-N 274.324 0.443 10 10 CCCE CC[C@@H]1CN(C(=O)c2ccc(O)c(O)c2)C[C@H]1N 399988886 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CCCE Cc1[nH][nH]c(=NC(=O)c2cc(O)c(O)c(O)c2)c1C 2132406879 LEWUBNARIWUHBU-UHFFFAOYSA-N 263.253 0.818 10 10 CCCE CO[C@@H]1C=C[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)C1 2132402548 ZGUBTAIYLBLNCN-RKDXNWHRSA-N 265.265 0.877 10 10 CCCE Nc1ccc(OCCC(=O)NC[C@H]2C=CCN2)cc1 1905945637 APBYCEZAWGMDQK-GFCCVEGCSA-N 261.325 0.682 10 10 CCCE COc1cc(N2CCOC[C@]2(C)CO)ccc1CO 2139685530 QNZJBXRPIJUQCI-AWEZNQCLSA-N 267.325 0.775 10 10 CCCE Cc1cccc(CNC(=O)[C@H]2NCCO[C@@H]2C)c1O 2139761113 FPLAHKOZFNOLOK-PWSUYJOCSA-N 264.325 0.694 10 10 CCCE COc1cc(N2C[C@@H]3C(C(N)=O)[C@H]3C2)ccc1CO 2139700879 PEXITPMQMCAVCW-QWRGUYRKSA-N 262.309 0.355 10 10 CCCE CS[C@@H]1CNC[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 2140647090 OVZMXEKCCUOIOQ-JOYOIKCWSA-N 282.365 0.460 10 10 CCCE O=C(NC[C@@H]1[C@H]2CN[C@H]1C2)c1cc(O)c(O)c(O)c1 2138326924 LNNSSRDEGZYXFR-HLTSFMKQSA-N 264.281 0.141 10 10 CCCE COCCNC(=O)CN(C)c1ccc(CN)c(F)c1F 234628791 FRLLQIWAJJMIRJ-UHFFFAOYSA-N 287.310 0.622 10 10 CCCE O=C(NC1(C(=O)O)CCOCC1)c1ccc(O)c(O)c1 236416866 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COC1(CO)CN(c2ccc([C@@H](C)O)c(O)c2)C1 2039556687 UZINYXBFEXXFSU-SECBINFHSA-N 253.298 0.643 10 10 CCCE CCCNCc1ccc(OC)c(C[S@](=O)CC(N)=O)c1 312727350 HHFAGELHAGHJOY-FQEVSTJZSA-N 298.408 0.929 10 10 CCCE CN1CC[C@H](OC(=O)[C@H](N)Cc2ccc(O)c(O)c2)C1 313011453 WJRUWGHCXYXYSH-WDEREUQCSA-N 280.324 0.215 10 10 CCCE COc1ccc(N2CCN(C[C@H](O)C(=O)O)CC2)cc1 313081300 LJNWSBLBGDBIOJ-ZDUSSCGKSA-N 280.324 0.263 10 10 CCCE CCCOc1cc(N2CC(O)(CO)C2)ccc1[N+](=O)[O-] 2171957711 UIEWDUSAYOHUQD-UHFFFAOYSA-N 282.296 0.927 10 10 CCCE CC(C)[C@@H](NC(N)=O)C(=O)N1CCC[C@@H]1CN=[N+]=[N-] 701264802 YAVYBOCYXQQPTO-RKDXNWHRSA-N 268.321 0.981 10 10 CCCE Cc1cc(CO)ccc1N1C[C@@H](CO)[C@@H](CO)C1 704453374 RXHPVXRRAKOHIL-BETUJISGSA-N 251.326 0.524 10 10 CCCE C[C@@H]1NCCN(C(=O)c2cccc(O)c2O)[C@H]1C 379431280 IQGZLFGGNMMPOL-IUCAKERBSA-N 250.298 0.920 10 10 CCCE CCc1cccc(CN[C@H](CO)CN(C)C)c1O 716691810 UQEXRXPDFKKWIR-ZDUSSCGKSA-N 252.358 0.967 10 10 CCCE C[C@@H]1[C@@H](CO)CCN1CC(=O)N(C)c1ccc(N)cc1 385931916 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10 10 CCCE C[C@H](CO)N1CCN(c2ccc(CN)c(F)c2F)CC1 2169364867 STDMPQBHUPGBNF-SNVBAGLBSA-N 285.338 0.926 10 10 CCCE Nc1cc2c(cc1N1C[C@H]3NC(=O)O[C@@H]3C1)OCCO2 2176920642 MMWRFHCGRVAZMZ-PRHODGIISA-N 277.280 0.337 10 10 CCCE Oc1cc(-c2nc([C@H]3COCCO3)no2)cc(O)c1O 2188915334 HDYSTKGNZYCTMY-SECBINFHSA-N 280.236 0.941 10 10 CCCE N[C@@H]1CC[C@@H]2CN(C(=O)c3cc(O)c(O)c(O)c3)C[C@@H]21 2188924628 RNDMBEOPKHOKQF-FKTZTGRPSA-N 278.308 0.613 10 10 CCCE NC(=O)[C@@]1(O)CCN(c2ccc3c(c2)CCC[C@@H]3O)C1 2184693629 UAKWRBVSYUEMPH-DZGCQCFKSA-N 276.336 0.483 10 10 CCCE N[C@H]1CCc2cc(N3C[C@@H]4C[C@H](C3)[C@@H](O)[C@H]4O)ccc21 2184740041 OTKQIBGOUVTCON-DCIASYOESA-N 274.364 0.811 10 10 CCCE CN(C(=O)Cc1ccc(O)c(O)c1)[C@H]1CC[C@@H]1N 2043160577 HQBBPBPEERBMOE-UWVGGRQHSA-N 250.298 0.588 10 10 CCCE CN(CCOCCc1ccc(N)cc1)S(C)(=O)=O 2056189045 GBVQAJIALSVGRF-UHFFFAOYSA-N 272.370 0.719 10 10 CCCE CN1C[C@H]2CC[C@H]1CN2c1ccc2c(c1)NC(=O)[C@H]2N 2186669543 WUDQBSFZHCAGML-WDMOLILDSA-N 272.352 0.921 10 10 CCCE C[C@H](c1ccccc1O)N(C)C(=O)[C@H](N)CCO 2073218872 DVQBSGSXPSKZLK-MWLCHTKSSA-N 252.314 0.621 10 10 CCCE COC1(CO)CN(c2ccc(CO)cc2[N+](=O)[O-])C1 2101066362 FJAACFYUHIRIBW-UHFFFAOYSA-N 268.269 0.285 10 10 CCCE Nc1ccc(CN2CC[C@@H]3C(=O)NC(=O)[C@@H]3C2)cc1 2102577642 KWIUXZUEEPYCEZ-NWDGAFQWSA-N 259.309 0.363 10 10 CCCE Nc1ccc(NC(=O)NC[C@@H]2CCCNC2=O)cc1 2087742281 FMUPHTCUIKUORQ-VIFPVBQESA-N 262.313 0.917 10 10 CCCE CO[C@@H]1C[C@@H](N)CN(C(=O)c2cccc(O)c2O)C1 2109018768 OVIFNFIKZUWXKX-RKDXNWHRSA-N 266.297 0.286 10 10 CCCE CC[C@H](CS(C)(=O)=O)NCc1ccc(O)c(O)c1O 2090095315 UOPLIRJBEGCSND-SECBINFHSA-N 289.353 0.716 10 10 CCCE CN1CCC[C@@H]1CCn1ccc2c(c1=O)CNCC2 2094404351 IZDCAXWCXKLPOI-CYBMUJFWSA-N 261.369 0.978 10 10 CCCE CC(C)(C)S(=O)(=O)C[C@@](C)(NCCN=[N+]=[N-])C(N)=O 2114132991 DLSSHMARBHXLEZ-SNVBAGLBSA-N 291.377 0.344 10 10 CCCE CNCc1ccc(N2C[C@@H]3NC(=O)O[C@@H]3C2)cc1OC 2204538022 WLCVBVCDPYXMET-WCQYABFASA-N 277.324 0.712 10 10 CCCE CNCc1ccc(N2CC(CS(C)(=O)=O)C2)cc1OC 2204547262 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N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2NC(=O)c1cc(O)c(O)c(O)c1 2356974832 DNOTYQBHQGDRQD-MFDQJXRNSA-N 278.308 0.659 10 10 CCCE N[C@H]1C[C@@H]2C[C@H]1C[C@H]2NC(=O)c1cc(O)c(O)c(O)c1 2356974834 DNOTYQBHQGDRQD-ZRUAGYDASA-N 278.308 0.659 10 10 CCCE NCc1ccc(N2CCS(=O)CC2)c(F)c1F 236225690 CNVOTFIHNFXXQI-UHFFFAOYSA-N 260.309 0.992 10 10 CCCE NCC[C@@H]1CCN(C(=O)c2cccc(O)c2O)C1 125354307 JXPNYAVDMPLMCW-SECBINFHSA-N 250.298 0.909 10 10 CCCE O=C1CC[C@@H](CNCc2ccc(N3CCOCC3)cc2)N1 79953031 CIZMZKDNIHWNJR-AWEZNQCLSA-N 289.379 0.891 10 10 CCCE N[C@H](Cc1ccc(O)c(O)c1)c1nc(-c2nc[nH]n2)no1 40225976 JCQYLHZFEANQCE-SSDOTTSWSA-N 288.267 0.508 10 10 CCCE COc1ccc(N2CCOC[C@@H]2[C@@H](O)CO)cc1Cl 2226926808 JSUGCXADVBZQGR-NEPJUHHUSA-N 287.743 0.907 10 10 CCCE CC1(C)[C@H](N)C[C@H]1NC(=O)c1cccc(O)c1O 130610560 WXJMVBJFNGATSG-NXEZZACHSA-N 250.298 0.953 10 10 CCCE CNCc1ccc(N2CC(=O)NC(=O)[C@@H]2C)c(F)c1 97296099 XUPHTGUBCZEUMF-QMMMGPOBSA-N 265.288 0.396 10 10 CCCE C[C@H](NN1CCN(C)CC1)c1c(O)cccc1O 235510711 ICBOCCRRGQCOBJ-JTQLQIEISA-N 251.330 0.911 10 10 CCCE N#Cc1cc(/C=C\C(=O)O)ccc1N1CCNC(=O)C1 379924497 OAEOASPXNPZUNO-RQOWECAXSA-N 271.276 0.592 10 10 CCCE CN1CCN(C)[C@H]([C@H](O)c2ccc3c(c2)CCN3C)C1 2163064964 ZNTVZZPUVBQRMK-JKSUJKDBSA-N 275.396 0.958 10 10 CCCE COc1ccc(CNC[C@@H]2CC(=O)N(C)C2)c(O)c1 723535630 HXJSWDUSINRZBV-JTQLQIEISA-N 264.325 0.969 10 10 CCCE CO[C@H]1CNC[C@@H]1S(=O)(=O)Nc1ccc(O)c(F)c1 722227840 NSYUQKUIHZTKMX-QWRGUYRKSA-N 290.316 0.260 10 10 CCCE Nc1ccc(CC(=O)N2CC[C@@H]3[C@H](C(=O)O)[C@@H]3C2)cc1 721234788 LSSXWBGPSHZFQK-SCRDCRAPSA-N 274.320 0.990 10 10 CCCE C[C@@H]1C(=O)NCCCN1C(=O)/C=C\c1ccc(O)c(O)c1 588564898 NPIRMSYIXIIJOW-AYYIZTPMSA-N 290.319 0.848 10 10 CCCE C[C@@H]1CN(C)C[C@H]1NC(=O)[C@@H]1CNc2ccccc2N1 722212989 OHMITGGTVVVPFB-DDTOSNHZSA-N 274.368 0.959 10 10 CCCE CN[C@@H](C)C[C@H](C)CNC(=O)c1cc(O)nc(O)c1 721630852 IAKVPGKHDNAUFX-IUCAKERBSA-N 267.329 0.857 10 10 CCCE COC[C@H]1C(=O)N[C@H](c2cc(OC)ccc2O)N1C 840828053 FHMCDSCIEPKELR-JQWIXIFHSA-N 266.297 0.476 10 10 CCCE O=C(NC[C@H]1CN(C2CC2)C(=O)O1)c1cccc(O)c1O 848365263 WNZUNELQYMDQPW-VIFPVBQESA-N 292.291 0.811 10 10 CCCE CNC(=O)[C@H]1CCN(C(=O)c2cc(O)cs2)C1 854963965 XJPFPRGXNFGGCW-ZETCQYMHSA-N 254.311 0.662 10 10 CCCE CNC(=O)NCC(=O)NCc1c(O)cccc1F 928704965 GQYTYVKGUPMFQF-UHFFFAOYSA-N 255.249 0.077 10 10 CCCE CCOCCOCC(=O)NCCc1ccc(O)c(O)c1 762267912 VLKVSZJHQWLCKE-UHFFFAOYSA-N 283.324 0.810 10 10 CCCE CN(C(=O)COc1ccc(N)cc1)C1[C@@H]2CNC[C@@H]12 1876478690 ZKDUDWXTGZSZOO-VXGBXAGGSA-N 261.325 0.324 10 10 CCCE COC(=O)[C@]1(O)CCN(Cc2cc(C)ccc2O)C1 895705729 BAPSCBMLKQXYMO-AWEZNQCLSA-N 265.309 0.810 10 10 CCCE CCN1CCc2cc([C@@H](N)c3nnnn3C)ccc21 1885469605 CUZPZWFISWZHOA-GFCCVEGCSA-N 258.329 0.641 10 10 CCCE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1C(=O)NCCN=[N+]=[N-] 1885562118 AUJDWPNGDUOWAU-IUCAKERBSA-N 299.331 0.953 10 10 CCCE COC(=O)C1(NCc2ccc(O)c(O)c2O)CC1 83394979 XNOVNACGPKNXCA-UHFFFAOYSA-N 253.254 0.599 10 10 CCCE N[C@H](C(=O)NCc1ncc[nH]1)c1cc(F)ccc1O 83462951 IAPMEBBUAGHIKK-NSHDSACASA-N 264.260 0.571 10 10 CCCE N[C@H](c1nnc(C2CNC2)o1)c1cc(F)ccc1O 83463011 XOZJNBLJYYVLDW-JTQLQIEISA-N 264.260 0.649 10 10 CCCE N[C@H](c1ccc(O)c(O)c1)c1nnc(-c2nc[nH]n2)o1 83539914 YBLWWZDUHXLZCM-MRVPVSSYSA-N 274.240 0.314 10 10 CCCE COCCOC[C@@H]1NCCc2cc(O)c(O)cc21 83725158 BDGSBUHJWQYAGC-NSHDSACASA-N 253.298 0.948 10 10 CCCE CN(C[C@@H](O)C1CC1)c1ccc2c(c1)N(C)C(=O)[C@@H]2N 690278497 PECSAWUQLPFDRS-ZIAGYGMSSA-N 275.352 0.870 10 10 CCCE C[C@]1(CO)C[C@H](O)CN1c1ccc(CN)c(F)c1 698194771 ASLFZKCYYGGAPZ-WCQYABFASA-N 254.305 0.606 10 10 CCCE COc1ccc(CN[C@@H]2CCC(=O)N(C)C2=O)c(O)c1 90023335 GHFUXCOBLQPUMH-LLVKDONJSA-N 278.308 0.638 10 10 CCCE CN1C(=O)N(c2ccc(N)cc2)C(=O)[C@@H]2COC[C@@H]21 90431284 RSFCLQCLTGGBGV-MNOVXSKESA-N 261.281 0.682 10 10 CCCE CN=c1nc(C)nc(N(C)Cc2ccc(N)cc2)[nH]1 2117154543 CKJVEAKHNKGDQN-UHFFFAOYSA-N 258.329 0.862 10 10 CCCE CN1C(=O)CC[C@H]1C(=O)NCc1cc(O)ccc1O 1455356039 GOMPWXPAOBNNEW-JTQLQIEISA-N 264.281 0.335 10 10 CCCE C[C@@H](CO[C@H]1CCOC1)NC(=O)Cc1ccc(O)c(O)c1 1466010251 DUMKEIZVXUTYGG-JQWIXIFHSA-N 295.335 0.951 10 10 CCCE C[C@H](O)c1ccc(N2C[C@H]3NC(=O)O[C@@H]3C2)cc1O 2120418137 XPFYYCLSXSEYGC-HNBZJPLGSA-N 264.281 0.743 10 10 CCCE COC(=O)c1cccc(N)c1N[C@H]1COC[C@@H]1OC 2120778240 AOOPFCFAKDCJKP-QWRGUYRKSA-N 266.297 0.881 10 10 CCCE COc1ccc(N2[C@H](C)CNC[C@@H]2CO)c(OC)c1 217179379 IQASBFFCUIVMNE-GHMZBOCLSA-N 266.341 0.863 10 10 CCCE Cn1cnc(C(=O)NCc2c(O)cccc2F)n1 1638862886 HJAFAQHHJSZESF-UHFFFAOYSA-N 250.233 0.590 10 10 CCCE [N-]=[N+]=NC1CN(CC(=O)Nc2ccc(C(N)=O)cc2)C1 1912157233 SBMKLDRWSZJARO-UHFFFAOYSA-N 274.284 0.719 10 10 CCCE CN(CCCN=[N+]=[N-])CC(=O)NC[C@H]1CCCO1 1912210829 OGFCYPQVSGNRSY-SNVBAGLBSA-N 255.322 0.914 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1COCCC1=O 1634787247 QEFCFDRBNJPOKV-VIFPVBQESA-N 265.265 0.115 10 10 CCCE O=C(NCc1c(O)cccc1O)C1(C(=O)NC2CC2)CC1 1597569920 WTMZRZWSUZWIRU-UHFFFAOYSA-N 290.319 0.773 10 10 CCCE Nc1ccc(CCN2C[C@@H]3C[C@H](C2)[C@@H](O)[C@H]3O)cc1 2126162786 VTTYHGXGKDIDTJ-CUFDPUGPSA-N 262.353 0.485 10 10 CCCE O=S1(=O)CCN(Cc2cccc(F)c2O)CC1 160200404 CNMCQRDPSSJFKH-UHFFFAOYSA-N 259.302 0.762 10 10 CCCE C[C@@H](N)c1ccc(N2CC(CO)(CO)C2)cc1O 1915005634 DGDWTPQVOKTMRW-SECBINFHSA-N 252.314 0.203 10 10 CCCE CCCNCc1ccc(N2CC(O)(C(N)=O)C2)c(F)c1 1915248712 KTWQIWLENNKRLJ-UHFFFAOYSA-N 281.331 0.362 10 10 CCCE COc1cc(N)c(N2CCC(C(N)=O)CC2)cc1OC 213486936 QDSYBHCLZKCHMY-UHFFFAOYSA-N 279.340 0.988 10 10 CCCE OC[C@H](O)CCNCc1cccc(Br)c1O 1967857243 DUHIUFDHJMUDHX-SECBINFHSA-N 290.157 0.988 10 10 CCCE CNCc1ccc(N(C)[C@@H]2COC[C@H]2O)cc1OC 2139699530 WZOPLPXGVJBAOL-CHWSQXEVSA-N 266.341 0.611 10 10 CCCE COc1cc(N(C)Cc2nnn(C)n2)ccc1CO 2139701801 FCIJNSVQXZNKFR-UHFFFAOYSA-N 263.301 0.347 10 10 CCCE NC[C@H]1CCN1c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 2146636775 YWLPAJFYZBVJJD-SSDOTTSWSA-N 278.268 0.463 10 10 CCCE CC(C)(C)ONC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 148916329 LOSOXPRFIMMQNM-VIFPVBQESA-N 268.313 0.814 10 10 CCCE COc1cccc(O)c1CN1C[C@@H](O)C[C@@H](N)C1 1971888212 GFRPWULOHYBQTB-ZJUUUORDSA-N 252.314 0.295 10 10 CCCE COC[C@H](O)CN(C)C(=O)CCOc1ccc(N)cc1 42482544 DSZIPSWLPGYBKY-GFCCVEGCSA-N 282.340 0.503 10 10 CCCE COc1cc(F)c(O)c(CN2CCNCC2)c1OC 258490874 MGZGZDHCOZBPQY-UHFFFAOYSA-N 270.304 0.954 10 10 CCCE CN[C@H](c1cn(C)nn1)[C@H](O)c1ccc(N(C)C)cc1 2147844693 CANQFYFOKLRAFF-ZIAGYGMSSA-N 275.356 0.875 10 10 CCCE CCN1CCN(c2cc3c(cc2N)OCC(=O)N3)CC1 35452676 VJPOLEGHCPOLCS-UHFFFAOYSA-N 276.340 0.742 10 10 CCCE O=C1Nc2cc(N3C[C@@H](O)C(F)(F)C3)c(F)cc2[C@@H]1O 2152094050 ISGSLLWBQIYPKJ-ZJUUUORDSA-N 288.225 0.627 10 10 CCCE Cc1c(CN[C@@H]2CC(=O)NC2=O)n(C)c2ccccc12 2152396409 OBSWXJXACSKAMA-LLVKDONJSA-N 271.320 0.991 10 10 CCCE Nc1ccc(OCCC(=O)N[C@@H]2CCCNC2=O)cc1 50397157 QHSXGDHRBOKCEL-GFCCVEGCSA-N 277.324 0.433 10 10 CCCE C[C@@H](NCc1ccc2c(c1)CCCO2)[C@H](O)CO 2027297098 PLDNVKZYYZAPAG-ZWNOBZJWSA-N 251.326 0.843 10 10 CCCE O=C1CSCC(=O)N1CCc1ccc(O)c(O)c1 2031079383 QLLBTFLKXHPXLG-UHFFFAOYSA-N 267.306 0.742 10 10 CCCE N[C@H]1COCC[C@@H]1c1nc(-c2ccc(O)c(O)c2)no1 2159044142 QKMWLDZORANRFH-IUCAKERBSA-N 277.280 0.979 10 10 CCCE COC[C@@H](N[C@@H](C)c1ccc(C)cc1O)C(N)=O 2034941753 STTCHLACIOQHFC-GXSJLCMTSA-N 252.314 0.852 10 10 CCCE Nc1ccc(OCC(=O)N[C@@H]2CCC[C@@H]2O)cc1 323792920 DCSJKECZPLTGRK-NEPJUHHUSA-N 250.298 0.677 10 10 CCCE CCNC(=O)[C@@H]1CNCCN1Cc1c(C)cccc1O 2160783907 DHVNLCXBTJKOGO-ZDUSSCGKSA-N 277.368 0.611 10 10 CCCE CCCN(C(=O)c1cccc(O)c1O)[C@@H]1CCNC1=O 2171222616 AGNWRJVNXWPWPG-SNVBAGLBSA-N 278.308 0.839 10 10 CCCE C[C@@H](C(N)=O)N(C)c1ccc2c(c1)N(C)C(=O)[C@@H]2O 711122900 TUVYWCXLVNBPKL-WRWORJQWSA-N 263.297 0.006 10 10 CCCE O=C(N[C@@H](C(=O)O)C(F)(F)F)c1ccc(O)c(O)c1 706951380 ZPYADLSXSWBFOP-ZETCQYMHSA-N 279.170 0.843 10 10 CCCE CN1CCN(CCCOc2ccc(N)cc2)C[C@@H]1CO 687601140 VWSCVXCXSKIRPB-CQSZACIVSA-N 279.384 0.646 10 10 CCCE Nc1ccc(CCN2CCC[C@@H](CO)[C@H]2CO)cc1 709796750 YDRRNCNOSUIJDC-DZGCQCFKSA-N 264.369 0.877 10 10 CCCE Nc1ccc(OCC(=O)NCCOC2CC2)cc1 715004372 IMAHSOXSMGYVSC-UHFFFAOYSA-N 250.298 0.943 10 10 CCCE C[C@@H]1C[C@@H](O)CN1C[C@H](O)COc1ccc(N)cc1 385153516 QALIJSZVGGOGNY-RTXFEEFZSA-N 266.341 0.464 10 10 CCCE C[C@H]1CN(C(=O)[C@@H]2CNc3ccccc3N2)CC(=O)N1 395687776 DPSHXJSHBVHXFJ-CABZTGNLSA-N 274.324 0.240 10 10 CCCE N#Cc1cc(CN)ccc1N1CC[C@H](O)[C@H](CO)C1 396826449 BSZNJODCUSOREW-JSGCOSHPSA-N 261.325 0.196 10 10 CCCE COC[C@H](CN(CC(N)=O)Cc1ccc(N)cc1)OC 822178848 FWBBHSFVMMYZCA-ZDUSSCGKSA-N 281.356 0.218 10 10 CCCE O=S1(=O)C[C@H]2C(NCc3cc4c(cc3O)OCO4)[C@@H]2C1 2174649908 WNGPTOOYLPFZBZ-RKDXNWHRSA-N 297.332 0.254 10 10 CCCE COc1ccc(CN2C[C@H]3CCO[C@@]3(CN)C2)c(O)c1 2175185274 ZFQZXMIZXZYIQP-DOMZBBRYSA-N 278.352 0.950 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3C[C@@H]4C[C@H]4[C@H]3CO)cc21 2198997475 SNNWQLQZCGOOFC-UBVLEBKSSA-N 273.336 0.480 10 10 CCCE CC1(C)[C@@H](O)[C@H](O)CN1c1ccc(CO)c([N+](=O)[O-])c1 2188575157 FPQQJPPACWYBMS-NEPJUHHUSA-N 282.296 0.408 10 10 CCCE NCC1CN(S(=O)(=O)Nc2ccc(O)cc2Cl)C1 2042998027 LPNQRGYMMKRRAX-UHFFFAOYSA-N 291.760 0.593 10 10 CCCE C[C@H](c1cc(O)ccc1O)N1C[C@H](N)C[C@@H](O)C1 2049120381 MFFBMBYXBAIHMM-FXPVBKGRSA-N 252.314 0.553 10 10 CCCE N[C@@]1(CCC(=O)C(=O)C[C@H]2C[C@H](N)C2)CCOC1 2049785547 BTBGZUHGTLPERX-KWBADKCTSA-N 254.330 0.150 10 10 CCCE O=C(O)CN1CC(CNCc2ccccc2O)C1 2050202537 RKIWZWPWUPYQGV-UHFFFAOYSA-N 250.298 0.498 10 10 CCCE C[C@H](N)c1ccc(N2CC(=O)N3CCOC[C@H]3C2)cc1 2185857769 JEQCVKLSZPMDTE-SMDDNHRTSA-N 275.352 0.754 10 10 CCCE [N-]=[N+]=NC[C@H]1CCN(S(=O)(=O)CC2CC(=O)C2)C1 2053112018 YJKDLFZAGXCXMH-MRVPVSSYSA-N 272.330 0.928 10 10 CCCE COc1ccc(N2CC[C@@H](CO)[C@@H](N)C2)c(F)c1 2058546410 YDUIUCITEOOJGT-CABZTGNLSA-N 254.305 0.980 10 10 CCCE COc1ccc(N2C[C@H](N)[C@H](OC)C2)cc1OC 2058638626 JYGGALYRILETQF-GXFFZTMASA-N 252.314 0.866 10 10 CCCE CO[C@H]1CNCC[C@H]1NC(=O)COc1ccc(N)cc1 2191667223 GDMJVDFPKKCDBZ-OLZOCXBDSA-N 279.340 0.141 10 10 CCCE [N-]=[N+]=NCCCN[C@@]1(C(N)=O)C[C@@H]2CC[C@H](C1)O2 2060987394 RHKWDGYPVNJDAW-DOFRTFSJSA-N 253.306 0.842 10 10 CCCE CN1C(=O)[C@@H](O)c2ccc(N3C[C@@H]4C[C@H]3CN4C)cc21 2187611214 OKOYFTZHXXPNFX-MJVIPROJSA-N 273.336 0.589 10 10 CCCE C[C@@H](NC(=O)[C@H](O)C(C)(C)N)c1ccccc1O 2072485798 ISOWACGRNWFUMW-KCJUWKMLSA-N 252.314 0.668 10 10 CCCE C[C@H]1C[C@@]1(CNC(=O)c1cccc(O)c1O)C(=O)O 2101183750 QBLLMKATIOFMPV-CPFSXVBKSA-N 265.265 0.938 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)[C@]2(CCF)CCCN2)C1 2082240121 MNWZBFNHSJYTRW-GIPNMCIBSA-N 256.321 0.734 10 10 CCCE C[C@@H](O)c1ccc(N2CC[C@H](N3CC(O)C3)C2)cc1 2102519570 HTPYPKNHKHPJTH-RISCZKNCSA-N 262.353 0.995 10 10 CCCE CN(Cc1ccccc1O)C[C@@H](O)CC(=N)NO 2084002815 YKUAMFMIDSBLBT-JTQLQIEISA-N 253.302 0.531 10 10 CCCE COc1cccc(O)c1CN1CCN(C(N)=O)CC1 2104449533 VZMBFZJWBDBERO-UHFFFAOYSA-N 265.313 0.597 10 10 CCCE CN1CCc2cc([C@H](NN)[C@@H]3CCS3(=O)=O)ccc21 2106860838 FYLNNSPTDFXIQD-STQMWFEESA-N 281.381 0.370 10 10 CCCE CN1CC[C@@H]([C@H](O)CCc2ccc(N)cc2)S1(=O)=O 2089531977 PDMWQCHPHCYAHF-OLZOCXBDSA-N 284.381 0.596 10 10 CCCE N[C@H]1C[C@@H](O)CN(c2ccc3c(c2)OCCCO3)C1 2111797250 FQOISOHKDCENAI-CMPLNLGQSA-N 264.325 0.746 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)[C@]23C[C@H]4CC[C@@H](N4)[C@@H]2C3)C1 2112563927 ZOVKKZBDDHODSL-NZQYKYSJSA-N 262.353 0.783 10 10 CCCE C[C@H](c1ccc(O)cc1O)N1C[C@H](O)C[C@@H](C(=O)O)C1 2201050082 NOWYPIKQCOCZIY-FXPVBKGRSA-N 281.308 0.926 10 10 CCCE COc1cc(N2CCc3c(nnn3C)C2)ccc1CO 2204546076 XLCFGZOHFRANHD-UHFFFAOYSA-N 274.324 0.879 10 10 CCCE COCCOCCOCC(=O)NCc1ccc(N)cc1 2208435350 UEGZLYRRZUISNC-UHFFFAOYSA-N 282.340 0.565 10 10 CCCE COc1cc(C)c(N2CCOC[C@H]2[C@H](O)CO)cc1C 2235107785 FXEVEPSVYCZLKV-UONOGXRCSA-N 281.352 0.870 10 10 CCCE COc1ccc(N2CCNC(=O)C23CC3)c(C(=O)O)c1 2235957662 PKJJUORGIXYNSB-UHFFFAOYSA-N 276.292 0.862 10 10 CCCE COc1cc(N2C[C@H](O)[C@H](O)C2)cc(OC)c1OC 2226828810 ZIMJGGBFXXTNNI-AOOOYVTPSA-N 269.297 0.254 10 10 CCCE Cc1cc(N2CC(O)(CCO)C2)ccc1[C@@H](C)N 2258272215 MHYWBEHEHNWTJZ-LLVKDONJSA-N 250.342 0.948 10 10 CCCE NCc1ccc(N2CCC[C@H]3CNC(=O)[C@@H]32)cc1F 2264601093 NYOHXJXTAIULTM-GXFFZTMASA-N 263.316 0.999 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC[C@](CF)(C(=O)O)C1 2281250586 SOBOUMQNQRVIBU-GFCCVEGCSA-N 284.243 0.379 10 10 CCCE Nc1ccc(NC(=O)CN2C(=O)[C@H]3CC[C@H]3C2=O)cc1 2283144273 IPBOXPQOXKGLJV-PHIMTYICSA-N 273.292 0.602 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3CC(O)(CCO)C3)c(Cl)cc21 2286185395 WGVQVZQCVLDIDR-LLVKDONJSA-N 297.742 0.225 10 10 CCCE C[C@H](NC(=O)[C@@]12CCO[C@@H]1CNC2)c1ccccc1O 2296450815 YGKJKYGSZGGHNF-PSOPSSQASA-N 276.336 0.948 10 10 CCCE Cc1cccc(O)c1CN1CCNC[C@H]1CC(N)=O 2343296921 FCKRTHRZOKAACA-LLVKDONJSA-N 263.341 0.350 10 10 CCCE Nc1ccc(CCC(=O)N2C[C@@H]3C[C@H]2[C@@H](O)[C@@H]3O)cc1 2354481723 BYQIXXHVYJCCED-OBCWZRDOSA-N 276.336 0.154 10 10 CCCE NCc1ccc(N2CC[C@@H]3C[C@H]2[C@H](O)[C@@H]3O)c(F)c1F 2357593052 RCPYCYVUDNXULK-JWKJARAVSA-N 284.306 0.744 10 10 CCCE Nc1ccc(OCCN2CC[C@@H]3C[C@H]2[C@@H](O)[C@@H]3O)cc1 2357596551 JFHHPGQCFNMJMG-AQNFWKISSA-N 278.352 0.464 10 10 CCCE COc1cc(Cl)cc([C@H]2NC(=O)[C@@H]3COCCN32)c1O 183632876 IESZESQTIVXJMW-CABZTGNLSA-N 298.726 0.883 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCCC[C@H]1CO 40461644 JMVHSLZGOSGZKS-RYUDHWBXSA-N 294.351 0.341 10 10 CCCE NCCCCC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 70203055 IWHFECCPEJGGPT-SNVBAGLBSA-N 296.323 0.339 10 10 CCCE Nc1ccc(CNS(=O)(=O)CCCC(=O)O)cc1 42535202 HZLRBXRCLJRVTO-UHFFFAOYSA-N 272.326 0.553 10 10 CCCE C[C@@H]1CN(CC(=O)c2ccc(O)c(O)c2)CC[C@H]1O 253188212 LGZGTMFAEQBPCQ-MWLCHTKSSA-N 265.309 0.983 10 10 CCCE N[C@H](C(=O)O)c1ccc(Br)c(O)c1O 258534211 YYJXKKDKARIXJF-YFKPBYRVSA-N 262.059 0.945 10 10 CCCE COc1c([N+](=O)[O-])ccc(CNCc2cnn(C)n2)c1O 809720415 GBUHUTXWCFXKMF-UHFFFAOYSA-N 293.283 0.727 10 10 CCCE C[C@@H]1C[C@H]1N(CCO)C[C@@H](O)COc1ccc(N)cc1 2167106792 NBVSVAKQTJLUQQ-UXIGCNINSA-N 280.368 0.711 10 10 CCCE CCN1CC[C@H](NC(=O)c2cc(O)cs2)C1=O 802679132 KBIQKOUVPQOQEF-QMMMGPOBSA-N 254.311 0.804 10 10 CCCE CCS(=O)(=O)NC1CN(c2ccc(CCN)c(C)c2)C1 2165562435 CAXDIWGVJSWYCH-UHFFFAOYSA-N 297.424 0.624 10 10 CCCE CC(=O)C(=O)COC(=O)c1cnc2scc(C)n2c1=O 808534376 MFUDZYMNQSEICT-UHFFFAOYSA-N 294.288 0.379 10 10 CCCE CCN(CC(N)=O)c1ccc2c(c1)NC(=O)[C@H]2NC 723179943 UQGXKJHLGMGGAR-LBPRGKRZSA-N 262.313 0.211 10 10 CCCE CN(C)c1ccc(CNC(=O)[C@@H]2COC(=O)N2)cc1 822226788 HVEYUOSMKZIVPM-NSHDSACASA-N 263.297 0.477 10 10 CCCE O=C(NC[C@H]1C[C@@H]2COC[C@@H]2O1)c1cc(O)cs1 831240414 JAIWMXIFXPJALZ-QNSHHTMESA-N 269.322 0.987 10 10 CCCE COC(=O)C12CC(CN1C(=O)c1cccc(O)c1O)C2 855521460 CNDOEJJEVWNKRY-UHFFFAOYSA-N 277.276 0.875 10 10 CCCE COc1cccc(CNC[C@@]2(OCCO)CCOC2)c1O 850357969 DFXHBWBZEJTHKH-HNNXBMFYSA-N 297.351 0.658 10 10 CCCE Cc1ccc(O)c(CNC(=O)C[C@@H](C)NC(N)=O)c1 862754371 BUYSAPKSNAJCQW-SECBINFHSA-N 265.313 0.764 10 10 CCCE O=S1(=O)CC(CCNCc2ccccc2O)C1 786825620 XGZZFMFHYPIJJD-UHFFFAOYSA-N 255.339 0.917 10 10 CCCE NC(=O)c1cccc(N)c1N[C@H]1CCCC12CNC2 1876461257 ABSGLAMVZLWJTB-NSHDSACASA-N 260.341 0.922 10 10 CCCE C[C@@H]1CN(Cc2cc3c(cc2O)OC[C@H]3O)CC(=O)N1C 799954910 AHOCQBUMFRBERU-NOZJJQNGSA-N 292.335 0.481 10 10 CCCE CCOC(=O)[C@H](O)Cc1nccn1-c1ccc(N)cc1 76165239 RUGIBTYONUEOMB-GFCCVEGCSA-N 275.308 0.921 10 10 CCCE O=C(O)[C@H](CO)NCc1ccc(N2CCCNCC2)cc1 84846313 LAFQEZMKNULQTD-AWEZNQCLSA-N 293.367 0.021 10 10 CCCE CC(C)(C(=O)NCc1cc(O)ccc1O)S(C)(=O)=O 1176748211 MQKOVHSTMLMLAL-UHFFFAOYSA-N 287.337 0.537 10 10 CCCE CC[C@H](N)c1ccc(N2CC(NS(C)(=O)=O)C2)cc1 703149994 CPOGDWJICWVOMJ-ZDUSSCGKSA-N 283.397 0.834 10 10 CCCE COc1cccc(CN[C@@H]2COCC[C@@H]2O)c1O 710893196 YPHSRLLPSACJBU-MNOVXSKESA-N 253.298 0.640 10 10 CCCE C[C@@H](C(N)=O)N(C)C(=O)[C@H]1CNc2ccccc2N1 711126472 GZMRACVORZOZPV-GZMMTYOYSA-N 262.313 0.225 10 10 CCCE CCO[C@H]1CS(=O)(=O)C[C@@H]1N(C)c1ccc(CN)cc1 697071578 DOUHZNWKEPTEBR-KBPBESRZSA-N 298.408 0.784 10 10 CCCE CN[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H](C)C1 2115367140 SFHUAXVQSNGZKE-SCZZXKLOSA-N 265.313 0.705 10 10 CCCE COC(=O)[C@@](C)(NCCCN=[N+]=[N-])[C@@H]1CCNC1 1912161810 NUJODOAULODFGN-KOLCDFICSA-N 255.322 0.818 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN(C(=O)[C@H]2CCC(=O)N2)C1 1912160641 YWIUMGDSBYQXNT-RKDXNWHRSA-N 251.290 0.814 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)Cn2nc(O)ccc2=O)C1 1912185382 PASDWMWHLIDVHY-QMMMGPOBSA-N 278.272 0.108 10 10 CCCE [N-]=[N+]=NC1CN(C(=O)CCn2cnc([N+](=O)[O-])c2)C1 1912168699 WFQVRGHIGVXTGL-UHFFFAOYSA-N 265.233 0.703 10 10 CCCE Cc1cc(N2C[C@@H]3C[C@H](C2)[C@@H](O)[C@H]3O)ccc1CO 2126155677 JQEUUCQZEDNDFQ-CUFDPUGPSA-N 263.337 0.665 10 10 CCCE Nc1ccc(CCC(=O)N2CCOC[C@@H]2CC(=O)O)cc1 158184197 JOFPKEHYOJFMAJ-ZDUSSCGKSA-N 292.335 0.904 10 10 CCCE COc1cc(N(C)C[C@@H](N)CN)cc(OC)c1OC 258842899 DVHABMFEQNZIHH-VIFPVBQESA-N 269.345 0.435 10 10 CCCE CN(C[C@H]1C[C@H](CO)CO1)c1ccc(CN)cc1 1967636050 SHTLFDABDXINFT-TZMCWYRMSA-N 250.342 0.979 10 10 CCCE O=C1NCCN(c2c(F)cc(CO)cc2F)C12CC2 2132040821 QQIOEEJIWPUKPO-UHFFFAOYSA-N 268.263 0.926 10 10 CCCE O=C(O)CSc1n[nH]c(-c2cc(O)c(O)c(O)c2)n1 2132351027 SRLYTHYGRIPTEO-UHFFFAOYSA-N 283.265 0.765 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H]2CNC[C@H]2C1 2132413860 QSLBRCKDFNRYTH-IUCAKERBSA-N 264.281 0.095 10 10 CCCE OCc1cc(F)c(N2CC(CO)(CO)C2)c(F)c1 1914977166 HHCGXTFDAJQNSF-UHFFFAOYSA-N 259.252 0.248 10 10 CCCE CCCNCc1ccc(N2CC(O)(C(N)=O)C2)cc1Cl 1915205618 DDWUCOXSEDKSPL-UHFFFAOYSA-N 297.786 0.876 10 10 CCCE Cc1cccc(CNC(=O)C[C@H]2COCCN2)c1O 2139760702 BVKWLFISRHYIQR-LBPRGKRZSA-N 264.325 0.695 10 10 CCCE Cc1cccc(CNC(=O)[C@@H](C)N2CC(N)C2)c1O 2139759930 MHXILXXZKAAJOV-SNVBAGLBSA-N 263.341 0.348 10 10 CCCE CC(C)[C@H]1CNC(=O)CN1C(=O)Cc1ccc(N)cc1 1969720190 OQWAHAXKSDKYCH-CYBMUJFWSA-N 275.352 0.794 10 10 CCCE O=[N+]([O-])c1ccc(N2C[C@H]3OCCO[C@@H]3C2)cc1CO 2149772933 UIKXHKSPVRRXHJ-CHWSQXEVSA-N 280.280 0.691 10 10 CCCE CO[C@H](CNC(=O)c1ccc(O)c(O)c1)[C@H]1CCOC1 2150212390 UQTSXGBBNKANBY-GXFFZTMASA-N 281.308 0.879 10 10 CCCE Cc1cc(CO)ccc1N1CCC(OCC(N)=O)CC1 2145385784 LTOMMUAJEVMNKC-UHFFFAOYSA-N 278.352 0.958 10 10 CCCE O=C(O)CCC(=O)NCCc1ccc(O)c(O)c1 35280153 VBTFXBSNBWLHFG-UHFFFAOYSA-N 253.254 0.621 10 10 CCCE CN[C@H](c1ccccc1O)[C@]1(O)CCS(=O)(=O)[C@H](C)C1 2151673820 SMSDLHDAEPTHTI-HONMWMINSA-N 299.392 0.981 10 10 CCCE O=C1NC(=O)[C@H](CCCNCc2ccc(O)cc2O)N1 2150331436 ONMWIMMDBRLSLQ-JTQLQIEISA-N 279.296 0.176 10 10 CCCE C[C@H](Nc1c(N)cccc1C(N)=O)[C@H]1CCS(=O)(=O)C1 2146105671 IAGRZLZQJVBDDY-IUCAKERBSA-N 297.380 0.603 10 10 CCCE Nc1ccc(OC[C@@H](O)CN2CC[C@@]3(CCO3)C2)cc1 2153330051 GAKZBKFTSFGFOS-DZGCQCFKSA-N 278.352 0.873 10 10 CCCE Nc1cc2c(cc1N1CCOCCOCC1)OCCO2 2159490206 FIPUAJCLTVFWKG-UHFFFAOYSA-N 280.324 0.893 10 10 CCCE CO[C@H]1C[C@@H]1C(=O)NCCc1ccc(O)c(O)c1 2031069763 IICQRHYKZCGVPT-CABZTGNLSA-N 251.282 0.791 10 10 CCCE NCC(F)(F)C(=O)NCCc1ccc(O)c(O)c1 2031070590 NPMVJUUIWPCNBG-UHFFFAOYSA-N 260.240 0.351 10 10 CCCE Nc1ccc(OC[C@@H](O)CN2CC[C@H]2CO)cc1 2031691333 MCCXGNAVLFEFDM-RYUDHWBXSA-N 252.314 0.075 10 10 CCCE CN[C@](CN(C)c1ccc(OC)cc1)(C(N)=O)C1CC1 69231231 CXJAGDITYPAKSV-HNNXBMFYSA-N 277.368 0.985 10 10 CCCE CCN(CCS(=O)(=O)N(C)C)c1ccc(N)cc1 310769312 MDFRSBGCIICCKA-UHFFFAOYSA-N 271.386 0.987 10 10 CCCE CC(=O)c1ccc(O)c(CN2C[C@@H](CO)[C@@H](CO)C2)c1 704791118 MOLIPZVPWKTXKT-OKILXGFUSA-N 279.336 0.627 10 10 CCCE C[C@@H](ON)C(=O)N(C)Cc1ccc(N(C)C)cc1 708809409 YNTFVGMWSLSJKC-SNVBAGLBSA-N 251.330 0.990 10 10 CCCE CCOC1CN(C[C@H](O)COc2ccc(N)cc2)C1 383302452 ZYLJLZDDYMLOHH-LBPRGKRZSA-N 266.341 0.729 10 10 CCCE CO[C@H]1C[C@H](CO)N(C(=O)Cc2ccc(N)cc2)C1 389071857 KWEDVYQOXPZTLK-OLZOCXBDSA-N 264.325 0.420 10 10 CCCE N[C@H]1C[C@@H]2CN(c3ccc4c(c3)CCO4)CCN2C1=O 2173418866 SSGBHYAALVAXTA-OLZOCXBDSA-N 273.336 0.370 10 10 CCCE C[C@H](CCCCO)NC(=O)c1cc(O)nc(O)c1 398539812 VRLNWZOKQVKCJV-MRVPVSSYSA-N 254.286 0.774 10 10 CCCE CC1(CF)CN(C(=O)[C@@H](N)Cc2ccc(O)c(O)c2)C1 2178128430 ISBHLBMPUONOPR-JTQLQIEISA-N 282.315 0.786 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1COC[C@@H]1F 2064639799 ATGSXMRQFMLROH-DTWKUNHWSA-N 255.245 0.493 10 10 CCCE O=C(O)[C@@H](F)CC1CN(C(=O)c2cccc(O)c2O)C1 2178479887 DKAILGDLYLGISN-VIFPVBQESA-N 283.255 0.983 10 10 CCCE C[C@H](O)c1ccc(N2CC[C@@]3(C2)NC(=O)NC3=O)cc1 2170610406 SFQDHNHHMDMRIP-XPTSAGLGSA-N 275.308 0.528 10 10 CCCE C[C@@H]1C[C@H](CNC(=O)c2cc(O)c(O)c(O)c2)CN1C 2188868128 MKEIXEXNIUBOHZ-RKDXNWHRSA-N 280.324 0.873 10 10 CCCE O=C(N[C@H]1CCNCC12CC2)c1cc(O)c(O)c(O)c1 2188919266 LQMZNIWRLUBNIJ-NSHDSACASA-N 278.308 0.675 10 10 CCCE O=C(NC[C@H]1CCCNC1=O)c1cc(O)c(O)c(O)c1 2188915386 HSYYVZAJXRFXBL-SSDOTTSWSA-N 280.280 0.059 10 10 CCCE NCC1(NC(=O)c2cc(O)c(O)c(O)c2)CCOCC1 2188916712 RHEWKYRJPVSAME-UHFFFAOYSA-N 282.296 0.041 10 10 CCCE NC(=O)C1(N)CN(c2ccc(OCC(F)(F)F)cc2)C1 2194314186 PNNJRGSYAFAVEF-UHFFFAOYSA-N 289.257 0.631 10 10 CCCE CS(=O)(=O)N[C@@H]1CCN(c2ccc3c(c2)CC[C@@H]3O)C1 2184740716 YLZNEBGMXLBLBK-RISCZKNCSA-N 296.392 0.794 10 10 CCCE CN(C[C@@]1(O)CCOC1)c1ccc([N+](=O)[O-])c(CO)c1 2185949525 CAPIDCCFPRNDHH-ZDUSSCGKSA-N 282.296 0.675 10 10 CCCE NC[C@@H]1CCN(S(=O)(=O)CCOc2ccc(N)cc2)C1 2191536090 MOHQMOVASPOXKA-NSHDSACASA-N 299.396 0.258 10 10 CCCE COC(=O)NCCCNCc1ccc(O)c(O)c1 2055417772 GFRRCMSISSOUBQ-UHFFFAOYSA-N 254.286 0.934 10 10 CCCE C[C@H](N)[C@H](NC(=O)c1cccc(O)c1O)C1CC1 2055811654 URZRDKSEVLCJIG-CPCISQLKSA-N 250.298 0.953 10 10 CCCE O=C(NC[C@H]1C[C@@H]1CO)c1cc(O)c(O)c(O)c1 2068578110 QSQKJKBCQKSNKO-HTQZYQBOSA-N 253.254 0.162 10 10 CCCE CCOCCN(C)C(=O)c1cc(O)c(O)c(O)c1 2068567583 REJKYXQQRXESKD-UHFFFAOYSA-N 255.270 0.912 10 10 CCCE Nc1ccc(CN2CC[C@@H](O)C[C@@H]2C(=O)O)cc1 2076913045 BKNAZXUCLOMJAB-VXGBXAGGSA-N 250.298 0.679 10 10 CCCE Cc1cccc(O)c1CN1C[C@@H](O)C[C@H]1C(=O)O 2080573745 JSPRTGNPKUKJKG-ONGXEEELSA-N 251.282 0.720 10 10 CCCE O=C1NCCC[C@@H]1CNCc1ccc(O)c(O)c1O 2087738223 IZGXVXMAQLKXGU-SECBINFHSA-N 266.297 0.419 10 10 CCCE C[C@H]1CC[C@@H](N)CN1C(=O)Cc1ccc(O)c(O)c1 2087727191 OTOMSAVIUOWEII-GXSJLCMTSA-N 264.325 0.979 10 10 CCCE CC1(C)CN[C@@H](C(=O)NCc2ccccc2O)CO1 2109541687 KJSVPZFZVFWQRT-LLVKDONJSA-N 264.325 0.775 10 10 CCCE CN1CCC[C@@H](C(=O)Cc2ccc(N)cc2)S1(=O)=O 2089433310 QSAXEUOKBRBIHT-ZDUSSCGKSA-N 282.365 0.804 10 10 CCCE Nc1ccc(NC(=O)CN2C[C@H]3C[C@]3(CO)C2)cc1 2090115186 CNPLANUNLPXMNP-QMTHXVAHSA-N 261.325 0.522 10 10 CCCE OC[C@H]1COC[C@H]1NCc1cc2c(cc1O)OCO2 2090323652 BYJBKJNJDLJXJW-VHSXEESVSA-N 267.281 0.218 10 10 CCCE O=C1Nc2cc(N3C[C@@H]4[C@@H](CO)[C@@H]4C3)ccc2[C@H]1O 2090733558 AJNZPFDJRFXQPW-MPPDQPJWSA-N 260.293 0.347 10 10 CCCE NCc1ccc(N2CC(=O)N[C@H]3CC[C@@H]32)c(F)c1F 2112064873 GJTYWRLWWALSII-IUCAKERBSA-N 267.279 0.891 10 10 CCCE NC(=O)[C@H]1C[C@H](N)CN(Cc2c(O)cccc2Cl)C1 2094666459 PZDNHDFRMPSWIN-IUCAKERBSA-N 283.759 0.680 10 10 CCCE C[C@@H](CC(N)=O)N(C)Cc1cc2c(cc1O)OCO2 2094994820 MNAMDOCHUPSJQN-QMMMGPOBSA-N 266.297 0.817 10 10 CCCE CN1CCc2cc(CNC[C@H]3COC[C@H]3O)ccc21 2097829776 BIBJKKPAWFFTCC-DZGCQCFKSA-N 262.353 0.776 10 10 CCCE NCc1ccc(N2C[C@@H](O)[C@H](O)CC23CCC3)cc1 2113570418 QKJPTOQHAMWOAX-ZIAGYGMSSA-N 262.353 1.000 10 10 CCCE COc1ccc(O)c([C@@H](C)N2C[C@@H](O)C[C@H]2C(=O)O)c1 2200879715 WEYKAXCZKVKKLM-PTRXPTGYSA-N 281.308 0.982 10 10 CCCE COc1cc(N2C[C@@H]3OC[C@H](CO)[C@@H]3C2)ccc1CN 2204541267 KLKOKNTWXRTCBJ-WHOFXGATSA-N 278.352 0.597 10 10 CCCE CCNCc1ccc(N2C[C@@H](O)C[C@H](O)C2)cc1OC 2204548210 CHSRKSDPLLOBLA-KBPBESRZSA-N 280.368 0.737 10 10 CCCE CN(C)C[C@H]1COC[C@@H]1Nc1c(N)cccc1C(=O)O 2206391898 ZMLIODXKMFKDNH-CABZTGNLSA-N 279.340 0.956 10 10 CCCE CC(C)(C)OC(=O)NCCCCCOc1nnc(=N)[nH]n1 2209553519 FHZKDHMBMKQXMQ-UHFFFAOYSA-N 298.347 0.753 10 10 CCCE OC[C@@]1(O)CCN(c2ccc3c(c2)COCC3)C[C@@H]1O 2235068766 FNCQFQBJEZZWBZ-GJZGRUSLSA-N 279.336 0.054 10 10 CCCE CCn1c(O)nnc1Sc1ncc(C(=N)N)s1 2253256716 ITWFERSFICTEKY-UHFFFAOYSA-N 270.343 0.895 10 10 CCCE Cc1cc(N2C[C@@H](O)C[C@H](O)C2)ccc1[C@H](C)O 2257465488 PKCLKMNDQXTUIF-DRZSPHRISA-N 251.326 0.980 10 10 CCCE COc1ccc(N2CC[C@@H]2[C@@H](O)CO)c(CO)c1 2258309247 RXFYKOGKDBJQTA-OLZOCXBDSA-N 253.298 0.119 10 10 CCCE COc1ccc(N2CC[C@H](O)[C@@H](O)CC2)c(CO)c1 2269132110 BPLPCSMKCYXHHK-KBPBESRZSA-N 267.325 0.510 10 10 CCCE COc1cccc(CN2CC[C@@H]3C(=O)NC[C@@H]3C2)c1O 365666197 YSJCNUUWFMUTIS-NEPJUHHUSA-N 276.336 0.969 10 10 CCCE CSc1cc(N(C)C(CO)CO)ccc1CN 2308069581 DPZIDMFACHJDNE-UHFFFAOYSA-N 256.371 0.657 10 10 CCCE COC(=O)[C@H](NCCCN=[N+]=[N-])C1[C@H]2COC[C@H]12 2318773867 JEGMYXPPFNUBFQ-OYNCUSHFSA-N 254.290 0.710 10 10 CCCE O=c1c2c(ccn1CCOCC(F)F)CCNC2 2328180603 GDYMVTIRQURPEP-UHFFFAOYSA-N 258.268 0.776 10 10 CCCE COc1ccc(N2C[C@@H]3C[C@H]2[C@@H](O)[C@@H]3O)c(OC)c1 2333690533 KVVGGLJTZCTYNM-MSRLKIHKSA-N 265.309 0.634 10 10 CCCE N[C@@H]1CC[C@H]1C(=O)N1CCc2cc(O)c(O)cc2C1 2341159160 RSXAUSJBMKBGEJ-GHMZBOCLSA-N 262.309 0.720 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H]1CCCC[C@@H]1O 52009803 NMYDSPIXAIQUOO-SRVKXCTJSA-N 294.351 0.387 10 10 CCCE C[C@H]1CO[C@@H](CO)CN1c1ccc(CN)c(F)c1 135230805 MXUOMNXJUQWEQD-JOYOIKCWSA-N 254.305 0.870 10 10 CCCE Nc1ccc(OCCN2CC[C@@H]3C[C@H]2[C@@H](O)[C@H]3O)cc1 2357585198 JFHHPGQCFNMJMG-SDJAHQOYSA-N 278.352 0.464 10 10 CCCE C[C@H](N)[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)C1 126958027 UIDSWWNNWYUZAJ-YUMQZZPRSA-N 251.286 0.302 10 10 CCCE CCNC(=O)CN(CC)c1cc2c(cc1N)OCC(=O)N2 42370322 ICGMVZSNYFGRGA-UHFFFAOYSA-N 292.339 0.562 10 10 CCCE O=S1(=O)C=C[C@@H](NCc2cccc(O)c2O)C1 88855464 LHQQKTWDQJEIRO-SECBINFHSA-N 255.295 0.498 10 10 CCCE CC[C@H](CN)C(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 87530723 VRWFEPSWFSOMHR-NXEZZACHSA-N 296.323 0.195 10 10 CCCE C[C@H]1OCC[C@H]1C(=O)N(CC(N)=O)Cc1ccc(N)cc1 94173830 JDDJIQQGYKBJHZ-ZWNOBZJWSA-N 291.351 0.508 10 10 CCCE NC(=O)CNCc1c(O)cccc1Br 706809834 PAFVRWPCJVGDHF-UHFFFAOYSA-N 259.103 0.730 10 10 CCCE CC(=O)C(=O)COC(=O)[C@@H](C(C)C)N1CCCC1=O 808512186 PKCSOOUFHSDGMD-GFCCVEGCSA-N 269.297 0.335 10 10 CCCE CNC(=O)[C@@H](C)CN(C)c1ccc2c(c1)NC(=O)[C@@H]2N 723204412 WZWBMCUSBYNGKT-QPUJVOFHSA-N 276.340 0.457 10 10 CCCE C[C@@](O)(CO)[C@H](N)c1cccc(Br)c1O 713775557 RBNZZZCHVKRFER-NXEZZACHSA-N 276.130 0.898 10 10 CCCE CNC(=O)[C@@H]1COCCN1c1ccc([C@H](C)N)cc1 723177521 DTRHOVYSFVLYLY-GWCFXTLKSA-N 263.341 0.658 10 10 CCCE CN1CCC[C@@H](C(=O)NCc2ccc(O)cc2O)C1=O 910944074 KKIVUGRKVDNNNM-NSHDSACASA-N 278.308 0.582 10 10 CCCE CN1C[C@@H](O)C[C@@]1(C)C(=O)N1Cc2cccc(O)c2C1 913726878 YTPDSDULWHXXFI-NHYWBVRUSA-N 276.336 0.690 10 10 CCCE CNS(=O)(=O)CCNCc1c(O)cc(C)cc1Cl 840938463 FRAUDRYDJCCNJZ-UHFFFAOYSA-N 292.788 0.993 10 10 CCCE C[C@H]1C(=O)N(C)CN1C(=O)c1c(F)ccc(O)c1O 844153075 KOVKAUIAFMMNOA-LURJTMIESA-N 268.244 0.497 10 10 CCCE CCN(CC)c1ccc(CNS(=O)(=O)C2CNC2)cc1 923592158 OUIMYJPNFWJSBI-UHFFFAOYSA-N 297.424 0.924 10 10 CCCE COc1ccc(N2CC[C@@H](NC(=O)CC(N)=O)C2)cc1 855232901 ZIUMNFHSUGPLPW-SNVBAGLBSA-N 277.324 0.266 10 10 CCCE O=S(=O)(CC1CC1)NCc1ccc(O)cc1O 867417429 VDBNNBJVJQMWLW-UHFFFAOYSA-N 257.311 0.927 10 10 CCCE Nc1ccc(CCC(=O)NC[C@]2(N)CCOC2)cc1 1876516010 YQFMUXJDXZGKKM-CQSZACIVSA-N 263.341 0.435 10 10 CCCE Nc1ccc(OCCNC(=O)c2cc(N)c[nH]2)cc1 1876525808 RAUUEEXOYBFSOR-UHFFFAOYSA-N 260.297 0.988 10 10 CCCE Nc1ccc(CC(=O)N2CCN[C@H]3COC[C@@H]32)cc1 1876670562 IYWURMCTVYRKEY-STQMWFEESA-N 261.325 0.011 10 10 CCCE Nc1ccc(NC(=O)N[C@H]2CCOC[C@@H]2CO)cc1 1878778061 LIAYXOGIOCTXRQ-CABZTGNLSA-N 265.313 0.788 10 10 CCCE Nc1ccnn1CC(=O)NCc1c(O)cccc1O 1156885309 CYPYMOYETZZAJZ-UHFFFAOYSA-N 262.269 0.193 10 10 CCCE N[C@H](C(=O)NC[C@@H]1CCCO1)c1ccccc1O 83382493 VMJKMFSUPBWCFG-CABZTGNLSA-N 250.298 0.687 10 10 CCCE COC(=O)[C@@H](O)CNCc1cc(OC)ccc1O 83408779 URJHESJKVNELNV-NSHDSACASA-N 255.270 0.024 10 10 CCCE NCCN(CC1CC1)C(=O)c1cccc(O)c1O 688401598 ACDZAFSVSLOGCK-UHFFFAOYSA-N 250.298 0.909 10 10 CCCE COc1ccc(N(C)C[C@@H]2Cn3cnnc3CN2)cc1 694787478 JDIGCMMLBWRUER-LLVKDONJSA-N 273.340 0.895 10 10 CCCE CN[C@H](C)c1ccc(N2CCS(=O)(=O)CC2)cc1O 93670516 JPRDZXMNEPNZQF-SNVBAGLBSA-N 284.381 0.907 10 10 CCCE C[C@H](N)c1ccc(N2CC(=O)NC(=O)[C@H]2C)c(F)c1 97292477 PKSHBXRPSLLCMW-JGVFFNPUSA-N 265.288 0.697 10 10 CCCE CCN1CC[C@@H](NC(=O)Cc2ccc(O)c(O)c2)C1=O 1454701183 ROTSYMUEDKPVFO-SNVBAGLBSA-N 278.308 0.377 10 10 CCCE Cc1ccc(C(=O)N2CCC(CO)(CO)C2)c(O)c1O 1470547790 KQMQVJYWVDZMQD-UHFFFAOYSA-N 281.308 0.223 10 10 CCCE O=C(C1=C2CCCN=C2NN1)N1Cc2cccc(O)c2C1 1636230919 KAQPHGRUHLKAOQ-UHFFFAOYSA-N 284.319 0.789 10 10 CCCE COC(=O)[C@H](C)CS(=O)(=O)N1CC[C@@H](CN=[N+]=[N-])C1 2127234360 BZXYDUMKPZNXCS-BDAKNGLRSA-N 290.345 0.758 10 10 CCCE Nc1ccc(NC(=O)CN2CCN3C(=O)CC[C@@H]3C2)cc1 168423519 BLRAFCZAQDYVID-CYBMUJFWSA-N 288.351 0.514 10 10 CCCE CN1CCNC[C@H]1CNCc1ccc2c(c1)CCO2 259015105 XWNHQXQPMLNRGQ-AWEZNQCLSA-N 261.369 0.615 10 10 CCCE C[C@@H]1CNC[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)C1 2132412361 COBILBGZNJYFQT-CBAPKCEASA-N 266.297 0.531 10 10 CCCE Cn1cncc1CNC(=O)c1cc(O)c(O)c(O)c1 2132349082 YAQTVZZCPCSCDJ-UHFFFAOYSA-N 263.253 0.467 10 10 CCCE Nc1ccc(OC[C@@H](O)CN2CC[C@](F)(CO)C2)cc1 1917075289 YVTVVZVPCBJCEW-GXTWGEPZSA-N 284.331 0.415 10 10 CCCE O=C(NCC1CC(C(=O)O)C1)c1ccc(O)c(O)c1 1916696281 CQFIYMIGIWGYOW-UHFFFAOYSA-N 265.265 0.938 10 10 CCCE COc1ccc(O)c(CN[C@@H]2COC[C@H]2N(C)C)c1 1921761469 YGXIAJGFHHTBNG-CHWSQXEVSA-N 266.341 0.819 10 10 CCCE CN(C)[C@H]1COC[C@H]1CNC(=O)c1cccc(O)c1O 1924726234 YPBJOTFDDQEAOM-KOLCDFICSA-N 280.324 0.404 10 10 CCCE CCN[C@H]1COC[C@H]1C(=O)NCc1ccccc1O 228423406 LMRVDOFXJLKLRC-NEPJUHHUSA-N 264.325 0.633 10 10 CCCE CC[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)C[C@@H]1CO 2140805670 BSJBJMYAXGTIFX-PSASIEDQSA-N 266.297 0.583 10 10 CCCE CN(C)c1ccc([C@H]2CS(=O)(=O)CCN2)cc1F 1952592135 WKOPCLPBUBLUMN-LLVKDONJSA-N 272.345 0.951 10 10 CCCE Cn1nc(C(=O)NCCc2ccc(O)c(O)c2)cc1N 2148017651 XZBSCKUYUUFNEM-UHFFFAOYSA-N 276.296 0.386 10 10 CCCE C[C@@H]1C[C@H](CN)CN1C(=O)Cc1ccc(O)c(O)c1 1971695630 SAFWUPYAIAXUIC-MWLCHTKSSA-N 264.325 0.836 10 10 CCCE Nc1ccc(O)c(CNS(=O)(=O)N2C[C@H]3CC[C@@H]3C2)c1 2149339000 OEZAYNSGWFYPBT-NXEZZACHSA-N 297.380 0.651 10 10 CCCE Nc1ccc(N2CCN(c3ncc[nH]c3=O)CC2)cc1 162984250 UUKVTZJQGWFDAK-UHFFFAOYSA-N 271.324 0.679 10 10 CCCE CNCc1ccc(N2CC(S(C)(=O)=O)C2)c(C)c1 2034838762 MEPMOHDAHKZSOW-UHFFFAOYSA-N 268.382 0.948 10 10 CCCE NC[C@H](NC(=O)c1cc(O)nc(O)c1)C(F)(F)F 401768090 HSDSTNUQEGXBPA-YFKPBYRVSA-N 265.191 0.112 10 10 CCCE CO[C@@H]1C[C@H](CO)N(C(=O)Nc2ccc(N)cc2)C1 311688471 RXPDGIGFQHLTIY-VXGBXAGGSA-N 265.313 0.882 10 10 CCCE C[C@@H]1CC[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 311696819 LISWOKRGESOXCC-MIMYLULJSA-N 264.325 0.882 10 10 CCCE O=C1Nc2cc(N3CC(F)(F)C[C@@H]3CO)ccc2[C@@H]1O 2159059729 KLVSESRBIOFJQS-KCJUWKMLSA-N 284.262 0.878 10 10 CCCE O=c1c2c(ccn1C[C@H]1CC[C@H](CO)CO1)CCNC2 2159017903 CUAQZMZSWDITQC-DGCLKSJQSA-N 278.352 0.282 10 10 CCCE Oc1ccccc1CN1CCOC[C@]12CNCCOC2 2162213178 YSFWVSHMADJJHK-OAHLLOKOSA-N 278.352 0.583 10 10 CCCE CCNCc1ccc(N2CC(NS(C)(=O)=O)C2)cc1 705526737 JFOKEVOSXQHWHT-UHFFFAOYSA-N 283.397 0.534 10 10 CCCE CN(CCO)CCN(C)c1ccc(CO)cc1F 691250399 OMNFGZUZHMEWPF-UHFFFAOYSA-N 256.321 0.678 10 10 CCCE C[C@H]1NC(=O)CC[C@@H]1NS(=O)(=O)Cc1ccc(N)cc1 392904258 QELZCPAFGXKNCS-SKDRFNHKSA-N 297.380 0.355 10 10 CCCE Cc1ccc(O)c(CNC[C@H]2CN3CCN2CC3)c1 394748034 LZCZJXDOCVBSLD-AWEZNQCLSA-N 261.369 0.790 10 10 CCCE C[C@H](NS(=O)(=O)CCOc1ccc(N)cc1)[C@@H](C)O 395773013 RLDDUNWQQPXUCE-VHSXEESVSA-N 288.369 0.336 10 10 CCCE Oc1cccc(CNC[C@@H]2C[C@H]3C[C@H]2[C@H](O)[C@H]3O)c1O 2174416132 IYSLSOUAZQCGHL-VHKOSHJNSA-N 279.336 0.565 10 10 CCCE Cn1cnc(-n2cc(COc3ccc(N)cc3)nn2)n1 2179323157 FVEHMAGWSCJBEQ-UHFFFAOYSA-N 271.284 0.557 10 10 CCCE O=C(N[C@@H]1C[C@H]2[C@@H](C1)[C@@H]2C(=O)O)c1cccc(O)c1O 2169222481 HDVUEQAEPPKMDF-SDFOGPIKSA-N 277.276 0.937 10 10 CCCE COCCn1nnnc1CNCc1cccc(O)c1O 2169372374 AQNHGYVGSDCYEB-UHFFFAOYSA-N 279.300 0.021 10 10 CCCE CCNC(=O)[C@H]1CCCN1C(=O)Cc1ccc(N)cc1 2169606575 AEOYMJCAATXJPS-CYBMUJFWSA-N 275.352 0.938 10 10 CCCE CN(CCn1cncn1)c1ccc2c(c1)NC(=O)[C@@H]2N 2170125529 NRTXNKYDDZBCOR-GFCCVEGCSA-N 272.312 0.366 10 10 CCCE Nc1ccc(NC(=O)CCN2C[C@H](F)[C@@H](CO)C2)cc1 2177134347 CAJYELVVYPROSN-MFKMUULPSA-N 281.331 0.860 10 10 CCCE COC(C)(C)[C@H](NC(=O)c1cc(O)nc(O)c1)C(=O)O 2171069415 BXWPPOTWJSPOTG-SECBINFHSA-N 284.268 0.101 10 10 CCCE CC1(C)[C@@H](O)[C@H](O)CN1C(=O)CCc1ccc(N)cc1 2181207329 PGOLHUFRFXWDAZ-OCCSQVGLSA-N 278.352 0.544 10 10 CCCE NC(=O)[C@H]1CCC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2188913440 RVAGTLKIQQXLGL-YUMQZZPRSA-N 280.280 0.187 10 10 CCCE COc1ccc(N2CCNC[C@H]2C(N)=O)c(F)c1 2044289493 NZXGMMNDACKBNJ-NSHDSACASA-N 253.277 0.098 10 10 CCCE Nc1ccc(CC(=O)N[C@@H]2[C@H]3C[C@@H]4CN[C@H]2[C@H]4C3)cc1 2191664403 VCNGUZUMZLYULW-UXWFCTFPSA-N 271.364 0.924 10 10 CCCE C[S@@](=O)CC1CN(C(=O)c2ccc(O)c(O)c2)C1 2047847691 LXHQELBDNCRGCL-GOSISDBHSA-N 269.322 0.548 10 10 CCCE CNCc1ccc(N2CCOC[C@@]2(C)CO)cc1 2049910858 BWWCGSWUPIJKMP-CQSZACIVSA-N 250.342 0.994 10 10 CCCE CN[C@@H](c1ccccc1O)[C@H]1[C@@H]2CS(=O)(=O)C[C@@H]21 2054199479 MMAHEGVRAHYMJE-YGNMPJRFSA-N 267.350 0.943 10 10 CCCE CN(Cc1ccccc1O)C(=O)c1cncc(=NN)[nH]1 2192567150 MRFADGYFZNALKB-UHFFFAOYSA-N 273.296 0.162 10 10 CCCE [N-]=[N+]=NCCCCN1CCN(C2CC2)C(=O)C1=O 2065903237 JPEABYMZGLWRJB-UHFFFAOYSA-N 251.290 0.910 10 10 CCCE C[C@@H](O)C[C@@H](C)NC(=O)c1cc(O)c(O)c(O)c1 2068579690 YPRVECJUKUPGQT-RNFRBKRXSA-N 255.270 0.693 10 10 CCCE NC(=O)c1cccc(N)c1N[C@H]1CC(=O)N2CCC[C@@H]12 2188504847 SYTFMPIISFIXNP-QWRGUYRKSA-N 274.324 0.543 10 10 CCCE Nc1ccc(OCCC(=O)N[C@@H]2CNOC2)cc1 2071724152 DCHXSSZOHGYFJA-SNVBAGLBSA-N 251.286 0.057 10 10 CCCE CCNCCS(=O)(=O)N[C@@H](C)c1ccccc1O 2072489623 IAHLYFDABGOEHP-JTQLQIEISA-N 272.370 0.982 10 10 CCCE CN(CC(=O)Nc1ccc(N)cc1)Cc1ncon1 2104153097 NNGUULCCOSKKIY-UHFFFAOYSA-N 261.285 0.722 10 10 CCCE COc1ccc(N(C)C[C@H](O)CC(=N)NO)cc1 2084009725 GEMSJQLHHZZNGX-SNVBAGLBSA-N 253.302 0.838 10 10 CCCE c1cc2c(cc1N1CCO[C@H]3CNC[C@@H]31)OCCO2 2106362058 JOQYHUVFEFSRDB-FZMZJTMJSA-N 262.309 0.635 10 10 CCCE COc1cc(Cl)cc(CN[C@H]2CN(C)C[C@H]2O)c1O 2090333806 LVDUSUZJAVNEHC-WDEREUQCSA-N 286.759 0.819 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@@H]3[C@@H](CO)[C@@H]3C2)cc1 2090737583 USAJARQSMKQCDM-ITGUQSILSA-N 282.365 0.269 10 10 CCCE Nc1ccc(NC(=O)CN2C[C@@H]3C(CO)[C@H]3C2)cc1 2090732436 MJGKHOLRNMRRAA-RYUDHWBXSA-N 261.325 0.377 10 10 CCCE CN(C)c1ccc([C@H](O)C(=O)c2cnn(C)n2)cc1 2090854736 OJNUHUFJSPWUDO-LBPRGKRZSA-N 260.297 0.797 10 10 CCCE Nc1cc2c(cc1N1C[C@H](F)[C@H](O)C1)NC(=O)CO2 2092770898 QUETUEWQMMDSFV-QUBYGPBYSA-N 267.260 0.119 10 10 CCCE CO[C@@H]1CN(C)C[C@@H]1NC(=O)c1ccc(O)c(O)c1 2095431931 XTEUDCDQQVPDES-JOYOIKCWSA-N 266.297 0.157 10 10 CCCE C[C@@H](C[C@@H](C)O)N(CC(N)=O)Cc1ccc(N)cc1 2098642374 FMXGFTOFVLXEOS-WDEREUQCSA-N 265.357 0.716 10 10 CCCE CN(C)C(=O)[C@@H]1COCCN1c1ccc(CN)cc1 2098795530 CQXKXUATANRQJH-ZDUSSCGKSA-N 263.341 0.439 10 10 CCCE [N-]=[N+]=N[C@H]1CCCN(C(=O)C2=NNC(=O)CC2)CC1 2099332560 JLKCPKQEXVYULO-QMMMGPOBSA-N 264.289 0.944 10 10 CCCE COc1cc(N2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)ccc1CO 2204549928 LIDWKGLQNDBGBT-IINYFYTJSA-N 297.376 0.811 10 10 CCCE NCc1nc(CNC(=O)c2cccc(O)c2O)cs1 2271168036 YLWQUJMPEPHDIZ-UHFFFAOYSA-N 279.321 0.943 10 10 CCCE O[C@@H]1CN(c2ccc3c(c2)OCCO3)[C@@H](CF)[C@H]1O 2226775517 NWKVEQQBWIXJGP-OPQQBVKSSA-N 269.272 0.338 10 10 CCCE COc1ccc(N2CC[C@@](O)(C(N)=O)C2)cc1OC 2226798199 LLHFMSDJPPQNEX-ZDUSSCGKSA-N 266.297 0.130 10 10 CCCE Nc1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]2C[C@H]3[C@@H](O)[C@H]2O)cc1 2237064421 VINKMJIAVFSEEG-SQNSNAQRSA-N 274.364 0.688 10 10 CCCE CNCc1cc(OC)ccc1N(C)[C@H]1CCNC1=O 2227675024 ZDVWZZZLVSOIOA-ZDUSSCGKSA-N 263.341 0.739 10 10 CCCE NC(=O)CN(Cc1ccc(N)cc1)C[C@@]1(F)CCOC1 2238313492 BASLGWBGYKBENZ-AWEZNQCLSA-N 281.331 0.685 10 10 CCCE COC(=O)C1(NC(=O)c2ccc(O)c(O)c2)CC1 2256359987 NHAMCYBEQZYIFE-UHFFFAOYSA-N 251.238 0.533 10 10 CCCE Cc1cc(N2CC[C@@H]2[C@H](O)CO)ccc1[C@H](C)O 2258330089 SEALQGJVCWFXNS-ZLKJLUDKSA-N 251.326 0.980 10 10 CCCE NCc1ccc(N2CC[C@@H]2[C@@H](O)CO)cc1Cl 2249551398 FDGGQVGWWNQNOV-NEPJUHHUSA-N 256.733 0.731 10 10 CCCE CC[C@]1(NC(=O)c2ccc(O)c(O)c2)CCNC1=O 2273256518 LRSKETBWRYNLEG-ZDUSSCGKSA-N 264.281 0.496 10 10 CCCE CN1CC2(CN(Cc3ccc(N)cc3)C2)OCC1=O 2273943761 DIGVSDXUDUQPIN-UHFFFAOYSA-N 261.325 0.312 10 10 CCCE O=C(O)[C@@H]1CC[C@H](O)CN1Cc1ccc(O)c(O)c1 2264524032 ICTMTQRTZQBQCZ-UWVGGRQHSA-N 267.281 0.508 10 10 CCCE Nc1ccc(NC(=O)CN2CC[C@@]3(O)C[C@H]3C2)cc1 2265194965 KMQBHNZIIFJRGF-IINYFYTJSA-N 261.325 0.664 10 10 CCCE COc1cc(O)ccc1[C@@H](NCCN=[N+]=[N-])C(N)=O 2267838032 KZOFMBAEOBBCHT-SNVBAGLBSA-N 265.273 0.827 10 10 CCCE COCC(COC)ONCc1ccc(O)c(O)c1O 2268095889 KXJKZAKLWHWCFS-UHFFFAOYSA-N 273.285 0.486 10 10 CCCE COc1cc(C)c(N2CC[C@](O)(CO)[C@H](O)C2)c(C)c1 2285055288 BAVKDVWREITSCM-HIFRSBDPSA-N 281.352 0.606 10 10 CCCE CC[C@]1(NC(=O)c2cc(O)c(O)c(O)c2)CCNC1=O 2288929772 CWAOTUBIAHIOQX-ZDUSSCGKSA-N 280.280 0.202 10 10 CCCE COc1ccc(O)c(CN2CC[C@@H]3C(=O)NC[C@@H]3C2)c1 368214354 FGPRDCKKVDWDPQ-YPMHNXCESA-N 276.336 0.969 10 10 CCCE CSc1ncc(CN[C@@]2(C(=O)O)CCNC2)s1 2304547591 RVRYCESGZPXBFI-JTQLQIEISA-N 273.383 0.771 10 10 CCCE NC(=O)c1cccc(N)c1N[C@H]1CC[C@@H]2C[C@]12CO 2331790075 HQNMGXVLKRRQND-FDLBOYPASA-N 261.325 0.941 10 10 CCCE O=C(N[C@@H]1C[C@@H]2CC[C@H]1O2)c1cc(O)c(O)c(O)c1 2331867976 OUJIGAPEENBSPS-VAOFZXAKSA-N 265.265 0.853 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1C[C@H]2CNC[C@@H]1C2 2354577994 KCDSZHNUXRTLMZ-SRVKXCTJSA-N 276.336 0.755 10 10 CCCE COCCNCc1ccc(N2CC[C@@H](O)C2)cc1 62738299 UTSMFYXHOSYJDB-CQSZACIVSA-N 250.342 0.994 10 10 CCCE O=C(CNCc1ccccc1O)NC1CCOCC1 228416155 NGSJQQBUQLKLBL-UHFFFAOYSA-N 264.325 0.777 10 10 CCCE CC(C)(CC(=O)O)NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 84161069 SKNINCDTGUJDEK-VIFPVBQESA-N 296.323 0.337 10 10 CCCE COC(=O)[C@@]1(NCCN=[N+]=[N-])CCC[C@H]1S(C)(=O)=O 90257176 QUOAHRBANCIYEC-PSASIEDQSA-N 290.345 0.395 10 10 CCCE COc1cc2c(c(OC)c1OC)CNCCN2CC(=O)O 527432055 OFUSDHJVVZSRHJ-UHFFFAOYSA-N 296.323 0.707 10 10 CCCE CNC(=O)CN1CCN(c2ccc(CO)c(C)c2)CC1 700786315 BYXFAKFNYWWNMI-UHFFFAOYSA-N 277.368 0.355 10 10 CCCE CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(O)c(O)c1 2169566925 FPHMTRMVKLOORC-JTQLQIEISA-N 278.308 0.839 10 10 CCCE CC[C@H](C)[C@H](O)[C@@](N)(O)c1cc(C=O)ccc1O 575244473 AXJRAZJZHUVUHP-HJIKLVIJSA-N 253.298 0.716 10 10 CCCE CN1CCC([C@H]2C[C@H]2NC(=O)c2cc(O)nc(O)c2)CC1 585507409 QCVFKQCBTPFNAW-VXGBXAGGSA-N 291.351 0.953 10 10 CCCE Cc1cc(O)c(CN2CCN(CC(N)=O)C(=O)C2)cc1C 839170411 MBRCSUXAHFJWAM-UHFFFAOYSA-N 291.351 0.139 10 10 CCCE O=C(C[C@H]1CCNC1=O)NCc1c(O)cccc1F 928712116 ZKDMMWDJOGGSJC-MRVPVSSYSA-N 266.272 0.674 10 10 CCCE O=S(=O)(NCc1c(O)cccc1F)N1CCCC1 921452137 FLDRTWSHQJVZQM-UHFFFAOYSA-N 274.317 0.962 10 10 CCCE COCCOC[C@@H](O)CN1CCCc2cc(CN)ccc21 923285127 ARVSNGVXPIRPPM-HNNXBMFYSA-N 294.395 0.922 10 10 CCCE Cc1cc(CN)ccc1N1C[C@@H](O)C[C@@]1(C)CO 698199524 PKTGGWMUGRIINV-JSGCOSHPSA-N 250.342 0.776 10 10 CCCE CN(Cc1ccccc1O)C(=O)CS(=O)(=O)N(C)C 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N[C@@H](c1nnc(-c2nc[nH]n2)o1)c1ccccc1O 83429604 XQJOZHSRXPFSGY-MRVPVSSYSA-N 258.241 0.608 10 10 CCCE Cc1cc(Br)c(O)c(CNC[C@H](O)CO)c1 393830001 UVUPWLSYXUPHBM-VIFPVBQESA-N 290.157 0.906 10 10 CCCE CS(=O)(=O)[C@@H]1CCC[C@@]1(NCCCN=[N+]=[N-])C(N)=O 90260656 NVJCHAREGJUIHN-SCZZXKLOSA-N 289.361 0.098 10 10 CCCE COC(CNC(=O)c1ccc(C)c(O)c1O)OC 1181370780 LZIKJIUIPBMTDP-UHFFFAOYSA-N 255.270 0.755 10 10 CCCE CN(C)C[C@@H](O)CN(C)CCc1ccc(N)cc1 690195613 NLPOWGZAHFAERG-CQSZACIVSA-N 251.374 0.666 10 10 CCCE CS(=O)(=O)c1ccc(O)c(CN2CCNCC2)c1 213384481 GSHKHCOKRHQGBD-UHFFFAOYSA-N 270.354 0.201 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC(O)(C(F)F)C2)cc1 2115485366 YTYOOVPNAWLCOI-UHFFFAOYSA-N 292.307 0.410 10 10 CCCE O=C1Nc2cc(N3CCO[C@H](CF)C3)ccc2[C@@H]1O 2115413025 PMNBKZAJGFKDCC-SKDRFNHKSA-N 266.272 0.847 10 10 CCCE CN(Cc1ccc(N)cc1)C[C@H]1[C@@H]2CS(=O)(=O)C[C@H]12 2118020953 QNFHUYGJJWGMOZ-ZSOGYDGISA-N 280.393 0.991 10 10 CCCE O=C(Cn1ccc([N+](=O)[O-])n1)NCc1cc(O)ccc1O 1471661596 UUAILENPHMZGCR-UHFFFAOYSA-N 292.251 0.519 10 10 CCCE Oc1ccc(O)c(CN=c2ncnc3[nH][nH]cc2-3)c1 1472869181 PYPXQVGXTVXYFO-UHFFFAOYSA-N 257.253 0.750 10 10 CCCE C[C@](NCCCN=[N+]=[N-])(C(N)=O)C1CCOCC1 1912165237 IICFXAKSOJPHKU-LLVKDONJSA-N 255.322 0.947 10 10 CCCE CN(CCN=[N+]=[N-])C(=O)c1cc(S(N)(=O)=O)cn1C 1912149831 LVPSGOFQSNZHRH-UHFFFAOYSA-N 286.317 0.055 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCCN(CCC(=O)NC(N)=O)C1 1912181806 SLPVELIDOYRONO-VIFPVBQESA-N 268.321 0.984 10 10 CCCE CN1CCN(C(=O)CN2CC[C@@H](CN=[N+]=[N-])C2)CC1 1912201450 UUVKPJPRKJUNNZ-NSHDSACASA-N 266.349 0.393 10 10 CCCE O=C(CC1(O)CCOCC1)NCc1c(O)cccc1O 1647291416 ZZDFVDYFDFRSJH-UHFFFAOYSA-N 281.308 0.646 10 10 CCCE CCNC(=O)CC(=O)NCc1c(O)cccc1O 1645363377 SOPXTJTWNQJTSD-UHFFFAOYSA-N 252.270 0.240 10 10 CCCE C[C@]1(C(=O)O)CCN1C(=O)Cc1ccc(O)c(O)c1 1912438412 BJFHPDKPZSHHJA-CYBMUJFWSA-N 265.265 0.716 10 10 CCCE COC(OC)[C@@H](C)NC(=O)Cc1ccc(O)c(O)c1 1640192314 ORRLPSBQWUHOSK-MRVPVSSYSA-N 269.297 0.764 10 10 CCCE Nc1ccc(CCNS(=O)(=O)N2CCC[C@@H](O)C2)cc1 1914157296 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C[C@@H]1CN(C)CCN1CC(=O)Nc1ccc(N)cc1 235467535 ZKRYHUVKLOXHJV-LLVKDONJSA-N 262.357 0.843 10 10 CCCE C[C@H](CS(N)(=O)=O)NCc1cc(Cl)ccc1O 1947446313 OGOWQFRAIIMWCQ-SSDOTTSWSA-N 278.761 0.812 10 10 CCCE CCOC(=O)[C@@H](N)[C@@H](OC)c1ccc(O)c(O)c1O 1952365954 XKRAJIQEBZVZKZ-KWQFWETISA-N 271.269 0.381 10 10 CCCE O=C(NC[C@@]12CCC[C@@H]1NCC2)c1cc(O)nc(O)c1 2143589386 ZGONLEIWBAGLNL-HZMBPMFUSA-N 277.324 0.755 10 10 CCCE Nc1ccc(OCC(=O)N2C[C@@H]3CC[C@@H](O)[C@H]3C2)cc1 252880165 SMUVJUNNYWUTHI-LEWSCRJBSA-N 276.336 0.877 10 10 CCCE Nc1cc2c(cc1N1C[C@@H]3OCCO[C@@H]3C1)OCCO2 2149771983 SVGXBUXKYMQHRX-OKILXGFUSA-N 278.308 0.644 10 10 CCCE C[C@@]1(CNC(=O)Cc2ccc(O)c(O)c2)CNCCO1 2144022643 DPZTZFOLSONGIM-AWEZNQCLSA-N 280.324 0.135 10 10 CCCE C[C@@](O)([C@@H](N)c1ccccc1O)[C@H]1CCCS(=O)(=O)C1 2148153456 PEHFREHTBUOFHR-BPNCWPANSA-N 299.392 0.968 10 10 CCCE O=C1CCN(c2ccc3c(c2)NC(=O)[C@H]3O)CCCN1 2145343192 DBQDJLVFOMKESK-ZDUSSCGKSA-N 275.308 0.389 10 10 CCCE Nc1ccc(CC(=O)NC[C@H]2CCS(=O)(=O)C2)cc1 38083747 LTOYHKQZOHIOJQ-LLVKDONJSA-N 282.365 0.362 10 10 CCCE C[C@@](NC(=O)Cc1ccc(O)c(O)c1)(C(=O)O)C(F)F 2152818571 YNCUNIHAXIRQGR-LBPRGKRZSA-N 289.234 0.865 10 10 CCCE C[C@H](NC(=O)N(C)CCCN=[N+]=[N-])S(C)(=O)=O 2024078651 BMUDVNGIPHRSEC-SSDOTTSWSA-N 263.323 0.719 10 10 CCCE CCN[C@H](C)CNC(=O)Cc1ccc(O)c(O)c1 2027482616 PJEARUCQPOZESD-SECBINFHSA-N 252.314 0.755 10 10 CCCE C[C@@H]1CCN[C@@H]1CNC(=O)c1cc(O)nc(O)c1 2033148400 YGKUTFZQHMNETR-VXNVDRBHSA-N 251.286 0.221 10 10 CCCE C[C@H]1CN(C(=O)c2cc(O)nc(O)c2)[C@@H]1C(=O)O 2038183860 UPKNJTFSZQNMHI-CDUCUWFYSA-N 252.226 0.038 10 10 CCCE NCC12COC(CNC(=O)c3ccc(O)c(O)c3)(C1)C2 2159557282 XXSNMUMJVNMEJT-UHFFFAOYSA-N 278.308 0.336 10 10 CCCE CCOC(=O)[C@H](NCCN=[N+]=[N-])c1cnn(C)n1 311064705 KSRMVQMQURGUNF-MRVPVSSYSA-N 253.266 0.319 10 10 CCCE CO[C@@H](C)CCNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 313531711 MZKHMNXARJTOFY-ONGXEEELSA-N 282.340 0.509 10 10 CCCE CCOC(=O)CNC(=O)NCc1ccc(N)cc1 95921255 UCMPTJMHPJQEED-UHFFFAOYSA-N 251.286 0.631 10 10 CCCE in-vitro CN1C[C@H](NCc2ccc(F)c(F)c2O)C(=O)N1 703307098 GBSBHHGHWJSBGD-QMMMGPOBSA-N 257.240 0.105 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3C[C@H]4C[C@@H](O)C[C@H]3C4)ccc21 709835787 LJVKODMZLPFYQE-IDTAVKCVSA-N 273.336 0.988 10 10 CCCE C[C@H]1NC(=O)CC[C@@H]1NC(=O)CCc1ccc(N)cc1 392967273 SIOGCEFELDCCHZ-MFKMUULPSA-N 275.352 0.985 10 10 CCCE Cc1ccc(S(=O)(=O)NCc2ccccc2O)nn1 712713358 XBVUNAOPZRUPAX-UHFFFAOYSA-N 279.321 0.969 10 10 CCCE NC[C@@H]1C[C@@H](c2nc(-c3ccc(O)c(O)c3)no2)CO1 714085459 CGFRMZDQRIRQII-BDAKNGLRSA-N 277.280 0.979 10 10 CCCE C[C@@H]1[C@H](O)CCCN1c1cc2c(cc1N)OCC(=O)N2 384814478 CXCUUKUZJPSIJK-PRHODGIISA-N 277.324 0.949 10 10 CCCE Nc1cc2c(cc1N1C3COCC1COC3)OCCO2 399761730 FGEHUKLETDEYNE-UHFFFAOYSA-N 278.308 0.644 10 10 CCCE COC(=O)Cc1cc(O)n2nc(C3CC3)c(C(=O)O)c2n1 2080929981 KEVUITYCYVTLHV-UHFFFAOYSA-N 291.263 0.726 10 10 CCCE C[C@H](CC(=O)N(C)C)NC(=O)c1cc(O)c(O)c(O)c1 2188868432 RBARNBGCKZTKKK-SSDOTTSWSA-N 282.296 0.400 10 10 CCCE CN(C)C[C@H]1CCCN1C(=O)c1cc(O)c(O)c(O)c1 2188868283 OMPDVTJZXDKXAR-SNVBAGLBSA-N 280.324 0.970 10 10 CCCE Cc1ncc(CNC(=O)c2cc(O)c(O)c(O)c2)n1C 2188867890 IUWJQPCCNYEEBA-UHFFFAOYSA-N 277.280 0.775 10 10 CCCE CCCN[C@@H](c1ccccc1O)[C@@H](O)c1nnnn1C 2196242084 XLSLKJJNFVANFD-NWDGAFQWSA-N 277.328 0.690 10 10 CCCE NC(=O)C1(O)CCN(c2ccc3c(c2)CC[C@H]3O)CC1 2184741146 FOJHRVYEMMJSPQ-CYBMUJFWSA-N 276.336 0.483 10 10 CCCE CO[C@@H]1C[C@@H](O)CN(c2ccc(CN)cc2F)C1 2046664700 OWJDRCVZRYRZHZ-GHMZBOCLSA-N 254.305 0.870 10 10 CCCE C[C@H]1CNC(=O)CN1c1ccc(CN)c(F)c1F 2060851551 OLPDMZDOFJMZMV-ZETCQYMHSA-N 255.268 0.748 10 10 CCCE C[C@@H](CS(=O)(=O)N(C)c1ccc(N)cc1)C(=O)O 2063559805 RPWALVKOVGGOTB-QMMMGPOBSA-N 272.326 0.756 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC[C@H](C3CNC3)C2)cc1 2191769328 NTRYLVVXCVIXAF-LBPRGKRZSA-N 295.408 0.640 10 10 CCCE COc1cc(N)c(N(C)C[C@H](O)CN)cc1OC 2071627300 OWCUWHIFRLVTSY-MRVPVSSYSA-N 255.318 0.042 10 10 CCCE C[C@H](c1ccccc1O)N1C[C@@H](O)C[C@@H]1C(=O)O 2080569176 ZWARBQBWMGDUQL-WCABBAIRSA-N 251.282 0.973 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NCC[C@@H](F)C(=O)O 2102197236 LUBHCFCFLVDRFC-MRVPVSSYSA-N 271.244 0.569 10 10 CCCE COC[C@](O)(CO)CN[C@H](C)c1ccc(C)cc1O 2102399211 LJJRPAMRNAHVQV-BXUZGUMPSA-N 269.341 0.721 10 10 CCCE O=C(NC[C@@H]1CC(F)(F)CN1)c1cccc(O)c1O 2102803551 IUOIXFRDUBLYKR-ZETCQYMHSA-N 272.251 0.825 10 10 CCCE C[C@H](CNC(=O)Cc1ccc(N)cc1)[C@@H](F)C(=O)O 2105541923 LQZFUYWRCBKBKP-PRHODGIISA-N 268.288 0.986 10 10 CCCE Nc1cc2c(cc1N1CCN(C=O)CC1)OCCO2 2106705522 MQYLJOKNOIXAII-UHFFFAOYSA-N 263.297 0.318 10 10 CCCE CN1CCN(C)[C@H]([C@@H](N)c2ccc(N(C)C)cc2)C1 2106792745 GYXJZLMKWVQSSO-GJZGRUSLSA-N 262.401 0.998 10 10 CCCE O=C(O)CC[C@H](O)CNC(=O)c1ccc(O)c(O)c1 2110234462 NAWTVKNBMSNOCU-QMMMGPOBSA-N 269.253 0.053 10 10 CCCE CCc1nnc(Cn2ccc3c(c2=O)CNCC3)s1 2094405856 YMNVBRAEXJWILN-UHFFFAOYSA-N 276.365 0.956 10 10 CCCE Cn1cc(S(=O)(=O)N2CCC[C@H](N=[N+]=[N-])CC2)nn1 2099336640 MODVHUNMMRMBKJ-QMMMGPOBSA-N 285.333 0.669 10 10 CCCE Cc1cc(N2CCN(CCCO)CC2)ccc1CN 2113619478 HPHVRTNPLMXLDY-UHFFFAOYSA-N 263.385 0.958 10 10 CCCE O=C(O)[C@@H]1CC=CCN1C(=O)c1cc(O)nc(O)c1 2114315186 PNXLCZLOXIZUAQ-QMMMGPOBSA-N 264.237 0.348 10 10 CCCE COc1ccc(N2CCN(C[C@@H](CO)OC)CC2)cc1 2208338249 YGDOVVYIZPSHHM-HNNXBMFYSA-N 280.368 0.825 10 10 CCCE Nc1ccc(CC(=O)N2C[C@@H](O)C[C@@H](F)C2)cc1 2219160059 HUWYUUWSBXTNRW-PWSUYJOCSA-N 252.289 0.743 10 10 CCCE O[C@H]1CCN(c2ccc3c(c2)OCCO3)C[C@@H]1O 2219597651 LLSVKEGSYGFRQY-QWRGUYRKSA-N 251.282 0.390 10 10 CCCE CNCc1cc(OC)ccc1N1CC(=O)N[C@H]2CC[C@@H]21 2235964652 UNGNBEGBEDSJDR-JSGCOSHPSA-N 275.352 0.882 10 10 CCCE CC[C@@H]1C(=O)NC(=O)CN1c1ccc(OC)cc1CO 2236001156 YNIKSLJKSCYNOK-LLVKDONJSA-N 278.308 0.429 10 10 CCCE COc1ccc(N2C[C@@H](CO)C[C@H](CO)C2)c(CN)c1 2236638034 YAFLABJPHNAWCJ-RYUDHWBXSA-N 280.368 0.581 10 10 CCCE O[C@H]1[C@@H](CF)N(c2ccc3c(c2)OCCO3)C[C@H]1O 2226775506 NWKVEQQBWIXJGP-BREBYQMCSA-N 269.272 0.338 10 10 CCCE COc1ccc(N2C3COCC2COC3)c(CO)c1 2227708933 NUUBQYRLPCVTGJ-UHFFFAOYSA-N 265.309 0.792 10 10 CCCE CSCC1(NC(=O)c2cc(O)c(O)c(O)c2)CC(=O)C1 2239193212 QCEPPPDLEWGYOP-UHFFFAOYSA-N 297.332 0.998 10 10 CCCE O=[N+]([O-])c1cc(CO)ccc1N1CC[C@@H](O)[C@H](O)CC1 2284544078 LPZNQYSMAIMHME-CHWSQXEVSA-N 282.296 0.409 10 10 CCCE Nc1ccc(NC(=O)CS(=O)(=O)CC2COC2)cc1 2271395473 RYAWEOJCUAETGH-UHFFFAOYSA-N 284.337 0.269 10 10 CCCE Nc1ccc(CN2C[C@@H]3OCC[C@]3(C(=O)O)C2)cc1 2278922038 LTJBDVJIFXSAEG-JSGCOSHPSA-N 262.309 0.944 10 10 CCCE COc1cc(N2CC[C@H](O)[C@@H](O)CC2)ccc1CO 2269133049 IJJILEWREVTQQV-STQMWFEESA-N 267.325 0.510 10 10 CCCE COC(=O)NC[C@H](C)NC(=O)c1cc(O)c(O)c(O)c1 2286121539 SIIYBCNUQQEDLS-LURJTMIESA-N 284.268 0.278 10 10 CCCE CN1C(=O)[C@H](O)c2ccc(N3C[C@@H]4C[C@H](C3)[C@@H]4O)cc21 2286229111 RBMNSELBYHBVGS-OBPYKSBLSA-N 274.320 0.513 10 10 CCCE COc1cc(OC)c(N2CC[C@H](O)[C@@H](O)C2)cc1OC 2289450710 UTYXZUMGMLZGMY-QWRGUYRKSA-N 283.324 0.644 10 10 CCCE O=C1Nc2cc(N3C[C@@H](O)[C@H](F)C3)ccc2[C@H]1O 2308250269 BSLLGXLYTWTNSL-FBIMIBRVSA-N 252.245 0.191 10 10 CCCE CN(C)[S@](=N)(=O)N1CCc2cc(O)c(O)cc2C1 2318661902 MUVBZKGFTOCZJZ-SFHVURJKSA-N 271.342 0.894 10 10 CCCE O=S1(=O)CCN(c2cc(F)c(CO)cc2F)CC1 2319996730 CFFIPIHVPGLBGS-UHFFFAOYSA-N 277.292 0.692 10 10 CCCE CNCc1ccc(N2C[C@@H]3C[C@H]2[C@@H](O)[C@H]3O)cc1Cl 2329330399 JWNUAECDRKGSJT-NZPIUUIZSA-N 282.771 0.990 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H]2C[C@H]1[C@@H]2CO 2333080870 NUEWTUIGBVKXCS-YIZRAAEISA-N 265.265 0.256 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CCOC[C@H](F)C1 2336666132 RLGPWTKZZMTLSV-MRVPVSSYSA-N 271.244 0.614 10 10 CCCE CN(C[C@H](O)COc1ccc(N)cc1)C[C@@H]1CCO1 2341145863 QAAUXBYVGCGEKH-JSGCOSHPSA-N 266.341 0.729 10 10 CCCE COc1ccc(N2CCNC[C@H]2CC(N)=O)c(C)c1 2343318858 XSVFEULWCNLBBJ-LLVKDONJSA-N 263.341 0.657 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N3CCC(C(N)=O)CC3)ccc21 102452677 RUZNTRMVRPGXFU-CYBMUJFWSA-N 288.351 0.601 10 10 CCCE N=[N+]([O-])c1cnn(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 20428833 WYEARUGBUSPYGS-VIFPVBQESA-N 281.232 0.222 10 10 CCCE CCO[C@@H]1CN(C(=O)c2ccc(O)c(O)c2)C[C@H]1CN 405612072 SMKWFSGVUBULEZ-ZWNOBZJWSA-N 280.324 0.534 10 10 CCCE COC(=O)CC[C@H](C(N)=O)N1Cc2c(O)cccc2C1=O 118427769 STDQXJRROFVUBT-SNVBAGLBSA-N 292.291 0.155 10 10 CCCE O=C(c1cccc(O)c1O)N1CCNCC(F)(F)C1 1148212066 KGRKDLNYQAEEDT-UHFFFAOYSA-N 272.251 0.779 10 10 CCCE O=C1COc2cc([N+](=O)[O-])c(N3CCCNCC3)cc2N1 35452587 NGAMKPYERRVGRW-UHFFFAOYSA-N 292.295 0.725 10 10 CCCE C[C@@](O)(CNC(=O)c1cccc(O)c1O)CC(=O)O 126051583 MUFRZUVONRSTMC-LBPRGKRZSA-N 269.253 0.053 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3CCN(C(C)=O)CC3)ccc21 36193950 GVHHBDNRYWQZRR-AWEZNQCLSA-N 288.351 0.568 10 10 CCCE NC(=O)[C@@H]1CCCCN1C[C@@H](O)COc1ccc(N)cc1 220050417 DQTSAARAJKFBBM-OCCSQVGLSA-N 293.367 0.348 10 10 CCCE CN(C)S(=O)(=O)CCNCc1cccc(O)c1O 230994477 FLJVUKSZNLMGSA-UHFFFAOYSA-N 274.342 0.079 10 10 CCCE CN(C)C(=O)CN1CCN(c2ccc(CN)cc2)CC1 700785144 BFIHLUNWYCBVKM-UHFFFAOYSA-N 276.384 0.356 10 10 CCCE CCN[C@@H]1C(=O)Nc2cc(N(C)CC(N)=O)ccc21 723171689 VEKYBLJWSNORCK-LBPRGKRZSA-N 262.313 0.211 10 10 CCCE C[C@@H](N)c1ccc(N2CCOC[C@@H]2C(N)=O)c(F)c1 723194758 GEGCNQYNNBKORA-PRHODGIISA-N 267.304 0.536 10 10 CCCE CN1CCOC[C@@]1(CO)CN[C@H]1CCc2cccc(O)c21 903276799 CCRVYKACEXWHPP-BBRMVZONSA-N 292.379 0.662 10 10 CCCE O=C(NCc1ccc(O)cc1O)[C@H](O)C1CCOCC1 910950514 GMILCBRDPPZAKK-CYBMUJFWSA-N 281.308 0.502 10 10 CCCE CC[C@@H](NC[C@H](O)CS(C)(=O)=O)c1ccccc1O 927022237 DWYFOKTXSIJLED-CMPLNLGQSA-N 287.381 0.838 10 10 CCCE Cc1ccc(O)c(CN2CCn3c(CO)nnc3C2)c1 769517681 SPGSJYFMBBWMNC-UHFFFAOYSA-N 274.324 0.800 10 10 CCCE Oc1c(CN[C@@H]2CCn3nnnc3C2)ccc(F)c1F 1875674995 SYQCQVGOSIPUBK-MRVPVSSYSA-N 281.266 0.762 10 10 CCCE Cn1cnc(N)c1S(=O)(=O)NCc1ccc(N)cc1 1876408558 JFMDFCYDVOUXBB-UHFFFAOYSA-N 281.341 0.063 10 10 CCCE C[C@@H](Cn1cncn1)NC(=O)/C=C/c1ccc(O)c(O)c1 779482969 VXADPEABNQBPBC-GFAPAMAISA-N 288.307 0.907 10 10 CCCE COc1ccc(CN[C@H]2CCOC[C@@H]2CO)c(O)c1 1878774560 LISUJSJQKRMHBB-AAEUAGOBSA-N 267.325 0.888 10 10 CCCE CC(=O)N(C)CC(=O)NCc1c(O)cccc1O 1156881080 OGPGYMNFKBNPQF-UHFFFAOYSA-N 252.270 0.192 10 10 CCCE O=C(NCc1ccc(O)cc1O)[C@@H]1C[C@H]1[N+](=O)[O-] 1162279148 SFXHHOUMBCWGPP-RKDXNWHRSA-N 252.226 0.379 10 10 CCCE COc1cccc([C@H](N)c2nnc(CC(=O)O)o2)c1O 83588140 MVEPIWMOGRTYBI-JTQLQIEISA-N 279.252 0.459 10 10 CCCE Cn1ccnc1CCNC(=O)Cc1ccc(O)c(O)c1 1177503228 JYXGNWMYRNJRMP-UHFFFAOYSA-N 275.308 0.733 10 10 CCCE CCCN(CCO)C(=O)Cc1ccc(O)c(O)c1 1594212618 PJXCIJMHDSYGRS-UHFFFAOYSA-N 253.298 0.871 10 10 CCCE CC1(C)CN(C(=O)c2cccc(O)c2O)[C@@H]1CO 1965144926 HNPOQAOPADXFNC-SNVBAGLBSA-N 251.282 0.941 10 10 CCCE Nc1ccc(OCCS(=O)(=O)/N=c2/cccc[nH]2)cc1 70490465 MLRBJHVFKOSYGD-UHFFFAOYSA-N 293.348 0.906 10 10 CCCE O=C(CCn1cnnn1)NCc1c(O)cccc1F 1335312432 VMTQNVDGOPVSFE-UHFFFAOYSA-N 265.248 0.224 10 10 CCCE O=C(/C=C\c1ccc(O)c(O)c1)NCC(=O)N1CCCO1 1331769749 DTUHRZUIUSJWQD-HYXAFXHYSA-N 292.291 0.391 10 10 CCCE Nc1ccc(NC(=O)Cn2ccc(O)cc2=O)cc1 2118464337 KRELEKZMBAXPSB-UHFFFAOYSA-N 259.265 0.775 10 10 CCCE COc1ccc(N2CCN(C)[C@@H](CN)C2)c(OC)c1 217149027 UKQNUWDJRPRSFD-NSHDSACASA-N 265.357 0.783 10 10 CCCE COc1ccc(CNC[C@@H](O)CN(C)C(C)=O)cc1C 1486255971 WORHKKJFUZSTRC-CQSZACIVSA-N 280.368 0.932 10 10 CCCE COC(=O)[C@H](O)CN1CCCC[C@H](CN=[N+]=[N-])C1 1912150663 WSRCIKSDAQMYQU-NXEZZACHSA-N 256.306 0.933 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCCN([C@H]2CC(=O)NC2=O)C1 1912148661 WFOYNMBSRUVYLW-BDAKNGLRSA-N 251.290 0.814 10 10 CCCE O=C(CCn1cncn1)NCc1ccc(O)cc1O 1570462537 XHCAVLGSEIKLDL-UHFFFAOYSA-N 262.269 0.396 10 10 CCCE CN(c1ccc(N)cc1)S(=O)(=O)N1CC[C@H](O)C1 1914154318 QQIJHCPYDYFFNP-NSHDSACASA-N 271.342 0.016 10 10 CCCE Nc1ccc(OCC(=O)N2CC[C@@H](CO)C2)cc1 161416936 ZFOBFGANKJINCU-SNVBAGLBSA-N 250.298 0.488 10 10 CCCE CC(C)(O)[C@H](NC(=O)Cc1ccc(N)cc1)C(=O)O 2131449971 HWKDWRMXCZPZAY-LLVKDONJSA-N 266.297 0.152 10 10 CCCE CCN1C(=O)COc2ccc(N3CCNCC3)cc21 31947265 OTJNHCFEJOIYFK-UHFFFAOYSA-N 261.325 0.842 10 10 CCCE N[C@@H]1CC(c2nc3ccccc3n2CCO)=C[C@H]1O 2131476449 RVDSCXAXHRNKFB-ZWNOBZJWSA-N 259.309 0.504 10 10 CCCE CN1C[C@@H]2C[C@H]1CN2c1ccc2c(c1)NC(=O)[C@H]2N 2131040383 IKIGXYKLKFTHDQ-KWBADKCTSA-N 258.325 0.531 10 10 CCCE CN1CC[C@@H](NCc2ccc(O)c(O)c2O)CC1=O 2131975633 IBXGCLKLRBLANP-SECBINFHSA-N 266.297 0.514 10 10 CCCE O=C1C[C@H](NCc2ccc(O)c(O)c2)[C@H]2CCCN12 2131980492 VOZPEFUJARRZIC-WDEREUQCSA-N 262.309 0.951 10 10 CCCE C[C@H]1CNCCN(C(=O)c2cc(O)c(O)c(O)c2)C1 2132412691 GIVMAGFBMWEYIL-QMMMGPOBSA-N 266.297 0.485 10 10 CCCE Nc1ccc(OC[C@@H](O)CN2CC[C@]23CCOC3)cc1 1915823089 ROGKWHPNXPEWTN-DZGCQCFKSA-N 278.352 0.873 10 10 CCCE N[C@@H](c1ccccc1O)[C@]1(O)CCCS(=O)(=O)C1 1920269116 IEWVTHQOYXCHKB-RYUDHWBXSA-N 271.338 0.332 10 10 CCCE Cc1cccc(CNC(=O)[C@]2(N)CCCOC2)c1O 2139742969 GNCIAIVUDRNSAS-AWEZNQCLSA-N 264.325 0.825 10 10 CCCE C[C@]1(O)CN(C(=O)Cc2ccc(N)cc2)CC[C@@H]1O 2136837439 XEDRDIJNKPQTDG-JSGCOSHPSA-N 264.325 0.156 10 10 CCCE C[C@@H](CS(C)(=O)=O)NC(=O)[C@H]1CNc2ccccc2N1 229882019 WDDPMGNRKNQKLJ-JOYOIKCWSA-N 297.380 0.442 10 10 CCCE CN(C)CC[C@@H](N)C(=O)NCCc1ccc(O)c(O)c1 1968739612 TYMCCPMTIFICIK-LLVKDONJSA-N 281.356 0.036 10 10 CCCE COC(=O)[C@@]1(c2cc(O)c(O)c(O)c2)CCNC1 1951734348 MIEMWKSQYNGEHS-LBPRGKRZSA-N 253.254 0.208 10 10 CCCE CN(C)Cc1cc(C2([C@@H](N)C(=O)O)CC2)ccc1O 1952857820 HZNROVIAVDGQHT-LBPRGKRZSA-N 264.325 0.897 10 10 CCCE C[C@H](NC(=O)c1cc(O)nc(O)c1)C(=O)OC(C)(C)C 148150641 TZSAOVVDSBXMQE-ZETCQYMHSA-N 282.296 0.953 10 10 CCCE Nc1ccc(CC(=O)NC[C@]2(O)CCCOC2)cc1 1971053160 HYJNJFYLEDYYPW-CQSZACIVSA-N 264.325 0.469 10 10 CCCE COc1c([C@H](NCCCN=[N+]=[N-])C(N)=O)c(C)nn1C 158484684 GGAGNESSYKYCPI-VIFPVBQESA-N 281.320 0.554 10 10 CCCE CNCc1ccc(N2C[C@]3(CO)C[C@]3(CO)C2)c(C)c1 2146319145 PGRWESNJEHGJME-IYBDPMFKSA-N 276.380 0.896 10 10 CCCE Oc1ccc(-c2noc([C@@H]3[C@H]4NCCO[C@@H]43)n2)cc1O 2149285459 GPDAEIYTTOPBSP-GMTAPVOTSA-N 275.264 0.602 10 10 CCCE Oc1ccc(CCN[C@@H]2CN[C@]3(CCOC3)C2)cc1O 2155306680 PVFCWEGHZMVWAV-SWLSCSKDSA-N 278.352 0.751 10 10 CCCE Nc1ccc(CS(=O)(=O)NC[C@@H]2CCO2)cc1 2015485051 QTPMORXWWHAJFZ-NSHDSACASA-N 256.327 0.477 10 10 CCCE COc1ccc(N2C[C@@H]3OCCO[C@H]3C2)c(N)c1 2032408392 LPHWCYROYDOXMI-STQMWFEESA-N 250.298 0.881 10 10 CCCE CN(c1ccc2c(c1)NC(=O)[C@@H]2O)[C@@H]1CN2CC[C@H]1C2 2158727524 AYNVWYQRGAIPFA-CUOATXAZSA-N 273.336 0.812 10 10 CCCE C[C@H](N)c1ccc(N2C[C@@H](O)[C@H](CO)C2)c(F)c1 316941484 MWAUWRMUNVIQEN-GMOODISLSA-N 254.305 0.635 10 10 CCCE C[C@H](O)c1ccc(N2CCN(CCO)C(=O)C2)cc1O 2171075182 YDQOWHDMACWACD-JTQLQIEISA-N 280.324 0.086 10 10 CCCE NC[C@H]1CN(c2nnc(O)nc2O)Cc2ccccc21 2176214818 AQQZXEXNPDMSTF-VIFPVBQESA-N 273.296 0.345 10 10 CCCE COCCNC(=O)CNCc1ccc(F)c(F)c1O 703263376 UCNHZNQPMVZDTJ-UHFFFAOYSA-N 274.267 0.523 10 10 CCCE Oc1ccc(CN[C@H]2COCC[C@@H]2O)c(O)c1O 710882222 CKEBLOPSZAESRY-IUCAKERBSA-N 255.270 0.043 10 10 CCCE CN[C@@H](C)c1ccc(N2CC(O)(C(=O)OC)C2)cc1 714421185 QABSUQDTXBOLRO-JTQLQIEISA-N 264.325 0.691 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N3C[C@H]4C[C@H]3C[C@H]4O)cc21 2172094350 SLXWVSULVHIUQP-BQAVTBIBSA-N 273.336 0.622 10 10 CCCE NC(=O)N1CC[C@H](NCc2cccc(F)c2O)C1 393220414 FJPSNVPTHKJKPB-VIFPVBQESA-N 253.277 0.774 10 10 CCCE Cc1cc(N2CC(NS(=O)(=O)C(C)C)C2)ccc1CN 2165627898 GABZBHCQHKCIBT-UHFFFAOYSA-N 297.424 0.970 10 10 CCCE Nc1ccc(OCCC(=O)N2C[C@@H](F)[C@H](CO)C2)cc1 2177142679 FMOCMUOGSCJOKK-GXFFZTMASA-N 282.315 0.827 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CCO[C@H]2COC[C@H]21 2192644572 SLSVHHVBHLIMLJ-KCJUWKMLSA-N 281.264 0.043 10 10 CCCE CN1CCN(c2ccc3c(c2)NC(=O)[C@@H]3O)CC12CC2 2188413369 KWLMDDAYIUFERM-CYBMUJFWSA-N 273.336 0.957 10 10 CCCE O=C(N[C@]12CCC[C@H]1CNC2)c1cc(O)c(O)c(O)c1 2188923133 KALUZDITQYFFLC-XPTSAGLGSA-N 278.308 0.675 10 10 CCCE CNCc1ccc(N2CC3(C2)OC[C@H](O)[C@H]3O)c(Cl)c1 2183631093 GPEDQDNIAPHASH-QWHCGFSZSA-N 298.770 0.370 10 10 CCCE [N-]=[N+]=NCCN[C@H](C(N)=O)c1c(O)cccc1F 2042608717 UGKWRCCSJHAJLO-VIFPVBQESA-N 253.237 0.958 10 10 CCCE NC(=O)CO[C@@H]1CCN(c2ccc3c(c2)CC[C@H]3O)C1 2184733283 GDRGRNCLPCHPIT-TZMCWYRMSA-N 276.336 0.747 10 10 CCCE O=S1(=O)C[C@H]2[C@H](CNCc3ccccc3O)[C@H]2C1 2054242421 ATXVGYDDFDRLNF-CNDDSTCGSA-N 267.350 0.772 10 10 CCCE CN(CC(CO)CO)c1ccc2c(c1)CC[C@H]2O 2065083393 PWSIMWZFXZHYII-CQSZACIVSA-N 251.326 0.703 10 10 CCCE C[C@H]1C(=O)NC(=O)CN1c1c(F)cc([C@@H](C)N)cc1F 2194689722 NWFRVIIHBAMINY-RQJHMYQMSA-N 283.278 0.836 10 10 CCCE CC1(CO)CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2068578919 VCMGXGGTYXKBOP-UHFFFAOYSA-N 253.254 0.258 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@H]2COC[C@@H]21 2068622052 UFCYRZNOLAMPBW-YUMQZZPRSA-N 251.238 0.274 10 10 CCCE NC[C@H]1C[C@@H](NS(=O)(=O)Cc2ccc(N)cc2)C1 2071697257 AOGUSCGVPXNTDG-KLPPZKSPSA-N 269.370 0.426 10 10 CCCE Oc1ccc(CN[C@@H]2CO[C@@H]3COC[C@@H]23)c(O)c1O 2101876447 GHQOWOXBRUXLNH-IQJOONFLSA-N 267.281 0.307 10 10 CCCE CO[C@@H]1CNC[C@H]1[C@@H](O)c1ccc2c(c1)CCN2C 2106791455 RYLOWQSAFUNDEU-YUELXQCFSA-N 262.353 0.947 10 10 CCCE C[S@](=O)CC1CN(c2ccc3c(c2)NC(=O)[C@H]3O)C1 2110337915 XRZMGBKQJWGAAS-BUXKBTBVSA-N 280.349 0.487 10 10 CCCE CN[C@H]1CCCN(CCc2ccc(O)c(O)c2)C1=O 2091741522 HBZGHLYICHNXIT-NSHDSACASA-N 264.325 0.851 10 10 CCCE CC(C)S(=O)(=O)C[C@@](C)(NCCCN=[N+]=[N-])C(=O)O 2114141885 FBZYCAGFRJAQML-SNVBAGLBSA-N 292.361 0.943 10 10 CCCE Nc1cc(NS(=O)(=O)c2cnc[nH]2)ccc1O 2214996436 PIRSTRHZOKYEGL-UHFFFAOYSA-N 254.271 0.498 10 10 CCCE C[C@H](O)c1cc(F)c(N2C[C@H](O)[C@H](O)[C@@H]2CF)c(F)c1 2205592754 YUFBYULZFNUVNR-XENVIUNCSA-N 291.269 0.898 10 10 CCCE CSc1ncc(CNC(=O)c2cn(C)nc2CN)s1 2269257510 QDOHNFNKNZADGD-UHFFFAOYSA-N 297.409 0.987 10 10 CCCE CO[C@@H]1CC[C@H]1CS(=O)(=O)N1CC(N=[N+]=[N-])C1 2216900722 WBOBAYBAIRVHBD-IONNQARKSA-N 260.319 0.736 10 10 CCCE CN1[C@H](C(=O)O)CC[C@H]1C(=O)N1CC(N=[N+]=[N-])C1 2218737043 DMWYJBNQKOULPZ-YUMQZZPRSA-N 253.262 0.055 10 10 CCCE CN1CC2(CCN2CC(=O)Nc2ccc(N)cc2)C1 2230321072 TVRXXYVMDZPULE-UHFFFAOYSA-N 260.341 0.597 10 10 CCCE COc1ccc(N2C[C@@H](O)C(F)(F)C2)c(CN)c1 2220409625 QCWOHTLUYZKCSH-LLVKDONJSA-N 258.268 0.970 10 10 CCCE C[C@@]1(CCNC(=O)c2cc(O)c(O)c(O)c2)CCN1 2225548621 GAHNZBHICJMGDA-CYBMUJFWSA-N 266.297 0.675 10 10 CCCE CN1[C@H](C(=O)NCCCCN=[N+]=[N-])CC[C@@H]1C(=O)O 2225795857 RDOIONKAAYPVLD-DTWKUNHWSA-N 269.305 0.741 10 10 CCCE CNCc1cc(OC)ccc1N1CCN(CCO)CC1 2235970127 MFJWUPWAHYZPCN-UHFFFAOYSA-N 279.384 0.529 10 10 CCCE COc1ccc(N2C[C@@H](CO)[C@H](CCO)C2)c(CO)c1 2236001733 IZCXREZLLQJDJN-YPMHNXCESA-N 281.352 0.615 10 10 CCCE COc1ccc(N2C[C@H](OC)[C@H](OC)[C@H]2CO)cc1 2226791752 IODPHWFQOMRKJK-HZSPNIEDSA-N 267.325 0.906 10 10 CCCE COC(=O)[C@H](C)CS(=O)(=O)Nc1ccc(O)c(N)c1 2227868069 LELSBEMAIWAFKV-SSDOTTSWSA-N 288.325 0.525 10 10 CCCE C[C@H](NC(=O)[C@@H](N)[C@@H](O)C(F)(F)F)c1ccccc1O 2280108081 YUCBWMMUWADQOF-JMOVZRAMSA-N 292.257 0.820 10 10 CCCE C[C@H](O)c1ccc(N2CC[C@H]2[C@@H](O)CO)c([N+](=O)[O-])c1 2286208759 MLUWVGHFDUAWSU-QWRKXWFKSA-N 282.296 0.580 10 10 CCCE Cc1cc(N2CC(O)(C(N)=O)C2)ccc1[C@@H](C)O 2257464994 OKGXDBQBTKBAMR-SECBINFHSA-N 250.298 0.085 10 10 CCCE CC1(C)OCCN(C(=O)c2cccc(O)c2O)[C@H]1CO 2282896713 LLUQUFYLEDRYLU-NSHDSACASA-N 281.308 0.710 10 10 CCCE COc1ccc(N2C[C@H]3CS(=O)(=O)[C@H]3C2)c(N)c1 2314936803 XBCQRYLLZNBGNA-UFBFGSQYSA-N 268.338 0.511 10 10 CCCE CN(Nc1ncc(CC(=O)O)s1)S(=O)(=O)C1CC1 2317447251 SNRNVVYOFKDTSD-UHFFFAOYSA-N 291.354 0.521 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@H]2C[C@@H]3NCC[C@@H]32)cc1 2332129915 ARXPVRKDRGUGAN-AVGNSLFASA-N 281.381 0.439 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)[C@H]2COC[C@@H]2C(=O)O)C1 2338347480 IGUYAWKWGXUUJS-CIUDSAMLSA-N 268.273 0.492 10 10 CCCE CN(CC1(O)CC1)c1ccc2c(c1)N(C)C(=O)[C@H]2O 2340252201 PLYUNWJBDCWLDC-LBPRGKRZSA-N 262.309 0.658 10 10 CCCE C[C@H]1[C@@H](C)C(=O)CCN1C(=O)c1cc(O)nc(O)c1 2344375993 OZBWCASXILNWLP-SFYZADRCSA-N 264.281 0.932 10 10 CCCE COC(=O)NC1CN(c2ccc(CO)c(OC)c2)C1 2351835874 WWDLZZPNTFEEDT-UHFFFAOYSA-N 266.297 0.732 10 10 CCCE C[C@@H](c1ccc(O)cc1O)N1C[C@@H](O)[C@H](CC(=O)O)C1 2355446186 HUDONLLTSPHOPF-IGJMFERPSA-N 281.308 0.926 10 10 CCCE Cc1ccc(C(=O)NCCCn2ccnn2)c(O)c1O 185008506 VLRHRAKSHAUXKP-UHFFFAOYSA-N 276.296 0.818 10 10 CCCE CC[C@H](C)[C@H](NC[C@H]1SC(=S)NC1=O)C(=O)O 248234629 BRQIDRQAOKOKTP-XVMARJQXSA-N 276.383 0.592 10 10 CCCE C=CC(=O)NCCC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 274885574 BOCASCNHXOOTIP-JTQLQIEISA-N 292.335 0.837 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N(C)[C@@H]3COC[C@H]3O)ccc21 709476193 LNDAMHFGGZNDBN-JHJVBQTASA-N 277.324 0.095 10 10 CCCE CC[C@@H]1CN(c2ccc3c(c2)NC(=O)[C@@H]3N)C[C@@H]1O 399999995 YBYWCKYGIQQQBX-OXHMUOHRSA-N 261.325 0.846 10 10 CCCE O=C1Nc2cc(N3C[C@H]4CC[C@@H](O)[C@H]4C3)ccc2[C@@H]1O 712287997 GIRBTCQPVSGHGH-VAYSNVFOSA-N 274.320 0.879 10 10 CCCE CCOc1ccc(O)c([C@H]2NC(=O)[C@H](COC)N2C)c1 840829057 MUNRCRLGOQYLGB-AAEUAGOBSA-N 280.324 0.866 10 10 CCCE CN1CCOC[C@]1(CO)CNCc1ccc2c(c1)CCO2 922536258 STQUOEMEIIDCMR-MRXNPFEDSA-N 292.379 0.404 10 10 CCCE COc1cc(N)c(N2C[C@H](N)C[C@@H](O)C2)cc1OC 1876397193 ZZMDQMNHICROEI-RKDXNWHRSA-N 267.329 0.184 10 10 CCCE CO[C@H]1CNCC[C@@H]1Nc1c(N)cccc1C(N)=O 1876474772 DMXOKTOTKWFAOJ-QWRGUYRKSA-N 264.329 0.157 10 10 CCCE C[C@@H]1CCN(C(=O)COc2ccc(N)cc2)C[C@H]1N 1876451757 RPGKOZXWVPLHIX-ZWNOBZJWSA-N 263.341 0.843 10 10 CCCE C[C@H]1C[C@H](CN)CN1S(=O)(=O)Cc1ccc(N)cc1 1876534606 GOACRXLRTWDIEF-CMPLNLGQSA-N 283.397 0.768 10 10 CCCE COc1cccc(O)c1CN[C@@H]1CCOC[C@H]1CO 1878774356 KBPPWHWSPNYZEC-ZYHUDNBSSA-N 267.325 0.888 10 10 CCCE Oc1ccc(O)c2c1CCN[C@@H]2[C@@H]1CSCN1 75799352 INVDBGNPQKAXAB-QPUJVOFHSA-N 252.339 0.947 10 10 CCCE Oc1ccc(O)c2c1CCN[C@@H]2[C@H]1C[C@@H](O)CN1 75799547 OLNLBZPSVSMGFO-HUQFOHBGSA-N 250.298 0.007 10 10 CCCE COc1ccc2c(c1O)[C@@H](c1ccc(=O)[nH]n1)NCC2 83708437 NZIMCSFSJSDGEC-CYBMUJFWSA-N 273.292 0.719 10 10 CCCE Nc1ccc(CCC(=O)N[C@@H]2CCO[C@@H]2C(=O)O)cc1 703127819 CJXCCSQAIYQMRB-YPMHNXCESA-N 278.308 0.560 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N(C)C[C@H](C)CO)ccc21 708439249 VXDMYJDVJHBUAB-TVQRCGJNSA-N 263.341 0.964 10 10 CCCE O=C1Nc2cc(N(CCO)CC3CC3)ccc2[C@@H]1O 688386347 ADZRDGMKKWEYOA-ZDUSSCGKSA-N 262.309 0.881 10 10 CCCE COC(=O)C1(O)CN(c2ccc(OC)cc2[N+](=O)[O-])C1 714503873 LIOHFACGOJEAMP-UHFFFAOYSA-N 282.252 0.328 10 10 CCCE CN(Cc1ccccc1O)S(=O)(=O)[C@@H]1CCCNC1 722273024 PLFOMHMEWFGJDV-GFCCVEGCSA-N 284.381 0.906 10 10 CCCE CN(C)S(=O)(=O)CCCOc1ccc(N)cc1 699241063 UKWWQKDDUYTJBZ-UHFFFAOYSA-N 258.343 0.929 10 10 CCCE CCNCc1ccc(N2CC(=O)NC(=O)[C@H]2C)c(F)c1 97296091 MNLPZTQJSPLNRQ-SECBINFHSA-N 279.315 0.787 10 10 CCCE C[C@H](NC(=O)c1cccc(O)c1O)[C@@H]1C[C@@H]1C(=O)O 2118316183 OQNHHIJIUFXAKL-XVYDVKMFSA-N 265.265 0.937 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CCC2(CC1)OCCO2 1866303500 ZUBAZOSGXHNKFN-UHFFFAOYSA-N 295.291 0.783 10 10 CCCE CC=CC[C@@H](NC(=O)c1cc(O)nc(O)c1)C(=O)O 2120682060 JMBMXORSZXHIFU-MRVPVSSYSA-N 266.253 0.642 10 10 CCCE COc1nn(C)cc1CNC(=O)c1c(F)ccc(O)c1O 1611695595 LQCCMGOZGBCEKF-UHFFFAOYSA-N 295.270 0.909 10 10 CCCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C/C(=O)N(C)C 1633818994 NMBNACDRJHTXDK-FGEFZZPRSA-N 292.335 0.789 10 10 CCCE O=C1C[C@H](CNC(=O)c2c(F)ccc(O)c2O)CN1 1638795728 IPHOOGGCMWGTIH-LURJTMIESA-N 268.244 0.103 10 10 CCCE CCO[C@@H]1CS(=O)(=O)C[C@H]1N1CC[C@@H](CN=[N+]=[N-])C1 1912198911 MCRQYHFXBVIDIM-HBNTYKKESA-N 288.373 0.821 10 10 CCCE COCCOCC(=O)NCc1ccc2c(c1)CCN2C 169817613 JTEPMMPXKSXHRO-UHFFFAOYSA-N 278.352 0.958 10 10 CCCE CCOc1ccc(N2C[C@@H](C)NC(=O)[C@H]2CO)cc1 250640836 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O=C(Cc1ccc(O)c(O)c1)N[C@@H]1C[C@H]2CNC[C@@H]21 1971088409 FWIKTBHDKUWWAX-GARJFASQSA-N 262.309 0.364 10 10 CCCE COC(=O)[C@@H]1C[C@]1(N)c1c(O)cccc1[N+](=O)[O-] 1953017243 NXJKZIGCMKZSRJ-UPONEAKYSA-N 252.226 0.647 10 10 CCCE CCNC(=O)[C@@H]1COCCN1CCc1ccc(N)cc1 159346829 JWDMQGPHBAFCMV-AWEZNQCLSA-N 277.368 0.648 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CCN(C3CC3)CC2)cc1 40338278 NGBQWZJENFHZAD-UHFFFAOYSA-N 295.408 0.879 10 10 CCCE C[C@@H]1CO[C@H](CO)CN1CC(=O)Nc1ccc(N)cc1 167045957 XHMYAHAVMDYGMA-MFKMUULPSA-N 279.340 0.289 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CCSCC1 2015075792 WVOYQWGQRDCUKQ-UHFFFAOYSA-N 255.295 0.992 10 10 CCCE COc1cccc(CN[C@H]2COC[C@@H]2CO)c1O 2029843901 IXSOIMRBKCGOMD-QWRGUYRKSA-N 253.298 0.498 10 10 CCCE CN(C)CCN(CCO)c1ccc(CN)c(F)c1 2038025638 DPVINKJUNVLBNX-UHFFFAOYSA-N 255.337 0.645 10 10 CCCE C[C@H](C(=O)NC(N)=O)N1CCC[C@H](N=[N+]=[N-])CC1 2038000148 MUGAXHAEXUPFMT-SFYZADRCSA-N 254.294 0.735 10 10 CCCE COCCN1C[C@@H](O)[C@H](N(C)CCCN=[N+]=[N-])C1 2039191545 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2171068376 QRYXOWTVVSPVHG-UHFFFAOYSA-N 277.324 0.722 10 10 CCCE Nc1ccc(NC(=O)CN2C[C@H]3CC[C@]3(CO)C2)cc1 2198882125 RDTLDVFKLDTWKQ-IAQYHMDHSA-N 275.352 0.912 10 10 CCCE CC1(N)CN(C(=O)c2ccn(-c3ccc(N)cc3)n2)C1 2191649673 HMMLIEAZUOIHIF-UHFFFAOYSA-N 271.324 0.628 10 10 CCCE O=C1CC(CS(=O)(=O)NCc2ccccc2O)C1 2053133039 GSLWCKYTFPNPCH-UHFFFAOYSA-N 269.322 0.791 10 10 CCCE C[C@@]1(CO)COCCN(C(=O)c2ccc(O)c(O)c2)C1 2199821575 UNEWLPQYMUFIDX-CQSZACIVSA-N 281.308 0.569 10 10 CCCE CN1CC[C@@H](NCc2cc3c(cc2O)OCO3)CC1=O 2188495889 ZJDRFMCOPPNXDW-SNVBAGLBSA-N 278.308 0.831 10 10 CCCE C[C@H](O)CNCCNC(=O)Nc1ccc(N)cc1 2071564432 YHQAIOKQLRPYHN-VIFPVBQESA-N 252.318 0.361 10 10 CCCE COc1cccc(CN2C[C@@H](N)CC[C@@H]2C(=O)O)c1O 2188789062 UUXVJXOAEJBCKH-WDEREUQCSA-N 280.324 0.777 10 10 CCCE CNC1(C(N)=O)CN(c2ccc(OC)c(Cl)c2)C1 2082854423 MUYWNPGXQGDKKM-UHFFFAOYSA-N 269.732 0.612 10 10 CCCE OCC12COC(CNCc3ccc(O)cc3O)(C1)C2 2103332736 HXCAOOVOMCQMSJ-UHFFFAOYSA-N 265.309 0.729 10 10 CCCE CN(C(=O)C1COCCOC1)c1ccc(N)cc1 2083296057 LJTPSYIHORJAFB-UHFFFAOYSA-N 250.298 0.895 10 10 CCCE CS(=O)(=O)C[C@@H]1CN(c2ccc(CO)cc2)CCO1 2087366000 CMPOCHPUHTZCTP-ZDUSSCGKSA-N 285.365 0.429 10 10 CCCE CN1CCc2cc([C@@H](N)[C@H]3CNCCOC3)ccc21 2107783521 XQGLLJNWROLDPX-DZGCQCFKSA-N 261.369 0.915 10 10 CCCE COCC[C@@H](CO)Nc1c(N)cccc1C(=O)OC 2108741938 UXXDKLVIDVXNCM-VIFPVBQESA-N 268.313 0.865 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1C[C@H](O)[C@H](C2CC2)C1 2090674467 NQSPPOVKOGHTMX-GWCFXTLKSA-N 263.293 0.941 10 10 CCCE CN1CCN(c2ccc3c(c2)NC(=O)[C@@H]3O)[C@@H]2C[C@H]21 2112102261 ROIHWKUOCXCIQK-JHJVBQTASA-N 259.309 0.565 10 10 CCCE C[C@H](CC(N)=O)N(C)c1cc2c(cc1N)OCCO2 2094987420 PULOPAXFYDBZQL-MRVPVSSYSA-N 265.313 0.740 10 10 CCCE CN(C)CCN(CCN)C(=O)c1ccc(O)c(O)c1 2099355807 PZKZLUVEHHLKMB-UHFFFAOYSA-N 267.329 0.060 10 10 CCCE NC[C@@H](C(=O)C(=O)C[C@H]1C[C@H](N)C1)C1CCOCC1 2112570495 AQYHVFCCCJKBDF-YUSALJHKSA-N 268.357 0.254 10 10 CCCE O=C(O)C[C@H]1C[C@H](NC(=O)c2cc(O)nc(O)c2)C1 2112530604 NTIQFZHWEUIQLO-FKQCQYRASA-N 266.253 0.476 10 10 CCCE NCc1ccc(N2CCN(CCO)C(=O)C2)c(Cl)c1 2114626576 LPZIPWCNENJELC-UHFFFAOYSA-N 283.759 0.440 10 10 CCCE OC[C@@H]1CO[C@@H]2CN(c3ccc4c(c3)OCCO4)C[C@@H]21 2235100651 DSGUUIDFCTVGGL-IXPVHAAZSA-N 277.320 0.901 10 10 CCCE O[C@H]1C[C@H]2C[C@@H]([C@@H]1O)N(c1ccc3c(c1)CCO3)C2 2226746666 QOIVEIAVDJFQRP-IRIUXVKKSA-N 261.321 0.942 10 10 CCCE CN(C)[C@H]1CN(c2ccc3c(c2)COCC3)C[C@@H]1O 2226710906 NFQOCAGUOZMWRW-GJZGRUSLSA-N 262.353 0.870 10 10 CCCE Oc1c(F)cc(F)cc1CN1CCNCCNCC1 2227924819 UYLMEEWZCRYOIM-UHFFFAOYSA-N 271.311 0.665 10 10 CCCE Nc1cc2c(cc1N1CC3(CCC(=O)N3)C1)OCCO2 2238022733 HYROUHCNUVISKM-UHFFFAOYSA-N 275.308 0.509 10 10 CCCE Nc1ccc(CCN2C[C@@H](CO)C[C@@H](CO)C2)cc1 2228405566 NVTYXQGIZUKLGY-OKILXGFUSA-N 264.369 0.734 10 10 CCCE C[C@@H]1CN(CCNC(=O)c2cccc(O)c2O)C(=O)N1 2239247092 YWLSBXMKZFNBPG-MRVPVSSYSA-N 279.296 0.241 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2C(N)=O)C1 2256343388 DLPZNBXVGHXMOH-CIUDSAMLSA-N 251.290 0.657 10 10 CCCE N[C@]1(C(=O)C(=O)C[C@H]2C[C@H](N)C2)C[C@@H]2OCCC[C@H]21 2272780253 PQCJNFDMGZOBMK-QEQCHAIRSA-N 266.341 0.148 10 10 CCCE Nc1ccc(CS(=O)(=O)NCC[C@@H]2CCO2)cc1 2263976354 BHSSBFILGUULRN-GFCCVEGCSA-N 270.354 0.867 10 10 CCCE NC[C@H]1CC(F)(F)CN1C(=O)c1cc(O)nc(O)c1 2278884022 KQFBSUDVDZCOSJ-SSDOTTSWSA-N 273.239 0.301 10 10 CCCE C[C@@H](NC(=O)[C@@H]1CCOCCN1)c1ccccc1O 2269861196 WHOBOQNWZLYZMB-PWSUYJOCSA-N 264.325 0.948 10 10 CCCE N[C@@H]1C[C@H]2C[C@@H](C(=O)C(=O)C[C@H]3C[C@H](N)C3)C[C@@H]12 2311795001 ZYHKPLUJXDWOGY-PAUJSFGCSA-N 250.342 0.625 10 10 CCCE CSc1ncc(CNC[C@H]2NCC[C@@H](O)[C@H]2O)s1 2312992234 PFWSDVYOGDNKJT-BBBLOLIVSA-N 289.426 0.038 10 10 CCCE O=C(N[C@@H]1C[C@@H]2C[C@H]1C[C@H]2O)c1ccc(O)c(O)c1 2330898363 YMHXOMPPXVNVSC-UXCLJVHYSA-N 263.293 0.987 10 10 CCCE N[C@@H]1CC[C@H]1S(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1 2338266376 GYWHCRCRKFPTMV-GMSGAONNSA-N 287.297 0.532 10 10 CCCE N[C@@H]1CCCc2cc(N3C[C@@H]4C[C@H]3[C@@H](O)[C@H]4O)ccc21 2356170367 CGMQTVNDKCUFJK-XEQQAGFISA-N 274.364 0.953 10 10 CCCE NC(=O)OCCNCc1cc2c(cc1O)OCO2 135171203 SVYKMGLHTMAVPS-UHFFFAOYSA-N 254.242 0.306 10 10 CCCE C[C@H](N)c1ccc(N2CCOC[C@H]2C(N)=O)cc1O 723196966 YPNNKNVUFFGLMW-KWQFWETISA-N 265.313 0.102 10 10 CCCE Cc1ccc(O)c(CNCC[C@@H]2CNCCS2(=O)=O)c1 903969513 ZGSJOAHZDWOKLH-CYBMUJFWSA-N 298.408 0.567 10 10 CCCE COc1cccc(CN2CC(C)(C(N)=O)C2)c1O 843416440 SHMBRNSUNRELQO-UHFFFAOYSA-N 250.298 0.708 10 10 CCCE NC(=O)N1CCC[C@H](C(=O)NCc2c(O)cccc2F)C1 928709867 MRGLCRSYPQLMFW-VIFPVBQESA-N 295.314 0.938 10 10 CCCE CNCCOCCN(C)C(=O)NCCc1ccc(N)cc1 861640428 KXPJOGFNTVMWOZ-UHFFFAOYSA-N 294.399 0.689 10 10 CCCE Cc1ccc(C(=O)N2CC(CCO)C2)c(O)c1O 781015110 SZQVECVYFWGATE-UHFFFAOYSA-N 251.282 0.861 10 10 CCCE N[C@H](COCc1ccccc1)C(=O)C(=O)C[C@H]1C[C@H](N)C1 1956667289 CTFRUZYXFFSODM-MGPQQGTHSA-N 290.363 0.796 10 10 CCCE C[C@H](N)c1cc(F)c(N2CC(=O)NC(=O)C2)c(F)c1 1880930145 YPAQJGYCZHIKDJ-LURJTMIESA-N 269.251 0.447 10 10 CCCE CC(C)(NC(=O)Cc1ccc(O)c(O)c1)c1cnn[nH]1 1142026299 MSWGAOVQIURHIM-UHFFFAOYSA-N 276.296 0.810 10 10 CCCE NC[C@H](Cc1nccn1-c1ccc(N)cc1)C(=O)O 76137561 RCDVCQACZWNJPG-VIFPVBQESA-N 260.297 0.657 10 10 CCCE COCCNC(=O)[C@H](N)c1cc(OC)ccc1O 83398445 WNWNNSWNOKWGPE-LLVKDONJSA-N 254.286 0.163 10 10 CCCE O=c1[nH]c([C@@H]2NCCc3cccc(O)c32)c(F)c(=O)[nH]1 83659972 PHAMPMFKWOAFRB-SNVBAGLBSA-N 277.255 0.143 10 10 CCCE Oc1ccc(CN[C@H]2CCOC[C@H]2O)c(O)c1O 706773358 QGGNSMWNEJUAAV-WCBMZHEXSA-N 255.270 0.043 10 10 CCCE Nc1ccc(-n2ccc(C(=O)N3CC[C@H](O)C3)n2)cc1 61707184 FIZRWYJKWUUCEK-LBPRGKRZSA-N 272.308 0.661 10 10 CCCE C[C@@H](C(N)=O)N(C)CC(=O)Nc1ccc(N)cc1 711069689 MVVVDPDOAMGAIC-QMMMGPOBSA-N 250.302 0.013 10 10 CCCE COCCNCc1ccc(N2C[C@H](O)C[C@H]2CO)cc1 698195696 OQJZLQQUVXJTEK-LSDHHAIUSA-N 280.368 0.355 10 10 CCCE CNC(=O)[C@H]1CNCCN1[C@@H](C)c1ccc(F)cc1O 89082931 VNMHCRKYRALTCI-JOYOIKCWSA-N 281.331 0.612 10 10 CCCE Nc1ccc(CNc2ccc3n[nH]c(=O)n3n2)cc1 90641269 AZDGAXRUSMVVEZ-UHFFFAOYSA-N 256.269 0.612 10 10 CCCE Nc1ccc(OCCn2cc(Cl)c(=O)[nH]c2=O)cc1 91329318 XPUOOHPVITZDJB-UHFFFAOYSA-N 281.699 0.851 10 10 CCCE Nc1ccc(CCNc2ccc3nnnn3n2)cc1 94726346 CINXVEHBOBMRMI-UHFFFAOYSA-N 255.285 0.756 10 10 CCCE C[C@H](O)[C@H]1CN(CCOc2ccc(N)cc2)CCO1 2117530560 GKXJIDJCIGHOOK-SMDDNHRTSA-N 266.341 0.729 10 10 CCCE [N-]=[N+]=NC[C@H]1CCN(C(=O)[C@H]2[C@@H]3CS(=O)(=O)C[C@@H]32)C1 2117935994 LGUHBWNVSDKVHV-IMSYWVGJSA-N 284.341 0.436 10 10 CCCE Nc1ccc(NC(=O)N2C[C@@H]3NC(=O)O[C@H]3C2)cc1 2120414419 AVACHPOYYUXSOB-UWVGGRQHSA-N 262.269 0.593 10 10 CCCE Nc1ccc(OCC(=O)N2CC[C@@H]3[C@H](O)C[C@H]32)cc1 2121682660 MIJARSKDQQFOCN-YNEHKIRRSA-N 262.309 0.629 10 10 CCCE C[C@H](c1ccccc1O)N(C)S(=O)(=O)c1nc[nH]n1 2122588688 MSBVIVZANDZWCC-MRVPVSSYSA-N 282.325 0.892 10 10 CCCE Nc1ccc(CCC(=O)N[C@H]2CCC(=O)NC2)cc1 111014753 SDQGNJYTOVRFIO-LBPRGKRZSA-N 261.325 0.596 10 10 CCCE COC(=O)[C@@H](C)S(=O)(=O)N1CCC(N=[N+]=[N-])CC1 1912150554 VGUNPJIDZJKKBP-SSDOTTSWSA-N 276.318 0.652 10 10 CCCE [N-]=[N+]=NC[C@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)C1 1912161061 DWKHHJOXPRNXSE-BDAKNGLRSA-N 272.330 0.580 10 10 CCCE CNC(=O)NC(=O)CN1CCCC[C@H](CN=[N+]=[N-])C1 1912170784 BSYNSJUZPQBJRY-SECBINFHSA-N 268.321 0.854 10 10 CCCE CCOC(=O)[C@@]1(NCCN=[N+]=[N-])CCNC[C@@H]1OCC 1912161437 JPHBKDVIDJSSIB-CMPLNLGQSA-N 285.348 0.587 10 10 CCCE COc1cc(C(=O)N2CC[C@@H](N=[N+]=[N-])C2)nn1C 1912157728 YZZUOQJUSBRILJ-SSDOTTSWSA-N 250.262 0.954 10 10 CCCE O=C1NCCC2(CN(C(=O)Cc3ccc(O)c(O)c3)C2)O1 1636432803 OGLQPDXPCCENLY-UHFFFAOYSA-N 292.291 0.351 10 10 CCCE CC1(C)C[C@H](CO)CN1C(=O)c1cc(O)nc(O)c1 2127821110 FLJMJOOPZTYSJF-QMMMGPOBSA-N 266.297 0.726 10 10 CCCE CN(c1ccc2c(c1)CC[C@@H]2N)[C@@H]1CC(=O)NC1=O 2128325587 VBSRCJMKCDHBFX-NWDGAFQWSA-N 259.309 0.484 10 10 CCCE CC[C@@H]1C[C@@H](O)CN1C(=O)c1cc(O)c(O)c(O)c1 2132403394 JKYROHLKJVUKAF-RKDXNWHRSA-N 267.281 0.789 10 10 CCCE CN(c1ccc(CN)c(F)c1F)[C@H]1CCNC1=O 1916796326 AODQTQWEFJOIRB-VIFPVBQESA-N 255.268 0.748 10 10 CCCE C[C@H](N)c1ccc(N(CCO)C2COC2)cc1O 1915542162 PXDVSJVAJFRTMS-VIFPVBQESA-N 252.314 0.609 10 10 CCCE CN1C[C@H](C(=O)O)N(Cc2ccccc2O)CC1=O 1968209321 VBBWJBYRFPOMHQ-SNVBAGLBSA-N 264.281 0.119 10 10 CCCE COCCNC(=O)[C@@H](C)NCc1cc(OC)ccc1O 228986552 CEFZGOGTTWJYGR-SNVBAGLBSA-N 282.340 0.642 10 10 CCCE CNCc1ccc(N2C[C@@H](O)[C@H](CO)C2)cc1OC 2139705289 XMHSYLWXALGNOT-WCQYABFASA-N 266.341 0.204 10 10 CCCE CS(=O)(=O)[C@H]1COC[C@H]1NCc1cccc(F)c1O 2142491463 VXQNAFKTMNMLSM-MNOVXSKESA-N 289.328 0.433 10 10 CCCE CCN[C@@H]1C[C@H](C)CN(C(=O)c2cc(O)nc(O)c2)C1 2149199638 NVBJICNENDKUKN-GXSJLCMTSA-N 279.340 0.953 10 10 CCCE Nc1ccc(CC(=O)NC[C@@H]2C[C@@H]3OCC[C@H]3O2)cc1 1974127969 MHMPWGOTJFGXLM-MJBXVCDLSA-N 276.336 0.874 10 10 CCCE O=C1Nc2cc(N3CC[C@@H]4[C@H](CO)[C@@H]4C3)ccc2[C@@H]1O 2149563757 MGDZXBHIFFSOOO-TWJQMWNJSA-N 274.320 0.737 10 10 CCCE CCN(c1ccc(CN)cc1)[C@H](C)C(=O)NC(N)=O 34654522 DSGFYPKUYKOYTR-SECBINFHSA-N 264.329 0.555 10 10 CCCE CN[C@H](c1ccccc1O)[C@]1(O)CCC[C@H]1S(C)(=O)=O 2148166111 VMZRHHZOONTVED-MCIONIFRSA-N 299.392 0.981 10 10 CCCE N[C@@H](c1ccccc1O)[C@H]1[C@@H]2CS(=O)(=O)C[C@@H]21 2006135645 ATQOBTUHSIDIDF-SPFNVWMYSA-N 253.323 0.683 10 10 CCCE Nc1cc2c(cc1N1CCCC1(CO)CO)OCCO2 2146084141 XWQTZMQSRGMHEQ-UHFFFAOYSA-N 280.324 0.364 10 10 CCCE Nc1ccc(OCC(=O)OCCN2CCNC2=O)cc1 41093665 AWPMZZSXIWJRLU-UHFFFAOYSA-N 279.296 0.216 10 10 CCCE CO[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H](CN)C1 167211800 MHNAMLSNRATYGM-ZJUUUORDSA-N 281.312 0.071 10 10 CCCE CN1CCN(CCOc2ccc(N)cc2)S(=O)(=O)CC1 2154853170 VRRLTRHKFVAUMV-UHFFFAOYSA-N 299.396 0.225 10 10 CCCE O=c1c2c(ccn1C[C@@H]1CC[C@@H](CO)CO1)CCNC2 2159017902 CUAQZMZSWDITQC-AAEUAGOBSA-N 278.352 0.282 10 10 CCCE CN1CC(N(C)S(=O)(=O)Cc2ccc(N)cc2)C1 2028797905 LJGLZEPEQHALFA-UHFFFAOYSA-N 269.370 0.344 10 10 CCCE Oc1ccc(CCN[C@H]2CNCCOC2)cc1O 2034724669 BVBABBPTEPACDE-NSHDSACASA-N 252.314 0.218 10 10 CCCE C[C@H]1CCNC(=O)[C@@H]1CNC(=O)c1ccc(O)c(O)c1 2159267113 LVDDCBQNFSSVQM-WCBMZHEXSA-N 278.308 0.600 10 10 CCCE Nc1ccc(NC(=O)N[C@@H]2CCc3nncn3C2)cc1 2159987067 OFKHLFTXKBRHLS-LLVKDONJSA-N 272.312 0.997 10 10 CCCE COC(=O)[C@]1(NCCN=[N+]=[N-])CCS(=O)(=O)[C@@H]1C 311151707 JCEWWSCBVGPQAW-APPZFPTMSA-N 276.318 0.005 10 10 CCCE CCCNC(=O)CS(=O)(=O)CCc1ccc(N)cc1 311836798 MNCRNJBNGVLWFL-UHFFFAOYSA-N 284.381 0.752 10 10 CCCE Oc1ccc(CN2CCN([C@H]3CCNC3)CC2)cc1O 312933403 FZHQOGMQFGBJFL-ZDUSSCGKSA-N 277.368 0.577 10 10 CCCE NCc1ccc2c(c1)CCCN2[C@@H]1CS(=O)(=O)C[C@H]1O 700587390 RFFYBSRBFYDTOL-ZIAGYGMSSA-N 296.392 0.056 10 10 CCCE COC[C@H](CN(C)c1ccc2c(c1)NC(=O)[C@H]2O)OC 700988823 BQYQXQWPTISVOV-GWCFXTLKSA-N 280.324 0.770 10 10 CCCE CN(C)c1ccc(CN[C@H]2COCC[C@H]2O)cc1 710880564 SURSRMLYLXPOIP-UONOGXRCSA-N 250.342 0.992 10 10 CCCE CN(CCCS(=O)(=O)O)Cc1ccc(N)cc1 689051142 PLEMZNUGOHJGCJ-UHFFFAOYSA-N 258.343 0.979 10 10 CCCE O=C1Nc2cc(N3CC4CC3(CO)C4)ccc2[C@@H]1O 694502136 AAJHCWYAJVBCDE-ZAQGZADTSA-N 260.293 0.633 10 10 CCCE C[C@@]1(CO)C[C@@H](O)CN1CCCOc1ccc(N)cc1 698155530 CTCMUIZVXPMUKJ-HIFRSBDPSA-N 280.368 0.855 10 10 CCCE C[C@@H](NCc1nnnn1C)c1cc(F)ccc1O 389337595 ZBVDJLLJVXESMV-SSDOTTSWSA-N 251.265 0.906 10 10 CCCE C[C@@H]1NC(=O)CC[C@@H]1NC(=O)c1ccc(O)c(O)c1 393310706 RAQADNWOEFWBQM-CBAPKCEASA-N 264.281 0.495 10 10 CCCE COC[C@@](C)(O)CNC(=O)Cc1ccc(N)cc1 394553549 IISREPFSVAWKHV-ZDUSSCGKSA-N 252.314 0.325 10 10 CCCE C[C@]12CN(C(=O)COc3ccc(N)cc3)C[C@@]1(CO)C2 2165464313 OMGQBEBLCQHSLP-LSDHHAIUSA-N 276.336 0.879 10 10 CCCE N=C(C[C@H]1C[C@@H](NC(=O)c2cccc(O)c2O)C1)NO 2173307970 OXCMOVVJAVYWTL-OCAPTIKFSA-N 279.296 0.952 10 10 CCCE Cc1ccc(O)c([C@H](C)N[C@@H]2C[C@H](CO)[C@H](O)[C@@H]2O)c1 2177943570 GWTQTJWEVSDGIA-GUWLUGEHSA-N 281.352 0.454 10 10 CCCE C[C@@H](CO)N1CCN(C(=O)Cc2ccc(N)cc2)CC1 2169349716 VQXSABRFJSCZRW-LBPRGKRZSA-N 277.368 0.336 10 10 CCCE O=C(CN1CCC[C@@H]1[C@H](O)CO)c1ccc(O)c(O)c1 2179799135 MWAMFPOCYOPULO-QMTHXVAHSA-N 281.308 0.098 10 10 CCCE CN(c1cc2c(cc1N)OCCO2)C1COCCOC1 2188059933 YTLCVSLWEFPFJR-UHFFFAOYSA-N 280.324 0.892 10 10 CCCE O=C(N[C@H]1C[C@H](n2ccnn2)C1)c1ccc(O)c(O)c1 2184080344 NWMRJPBQOMAXFI-MGCOHNPYSA-N 274.280 0.823 10 10 CCCE C[C@@H](O)c1ccc(N2C[C@H](O)C[C@@H](O)C2)c(F)c1 2043184293 JSWBQSMMYWLEPJ-FBIMIBRVSA-N 255.289 0.811 10 10 CCCE OC[C@]12CN(c3ccc4c(c3)CC[C@@H]4O)C[C@]1(CO)C2 2184731532 JQPWPZXBQHZTGC-JYJNAYRXSA-N 275.348 0.847 10 10 CCCE NCc1ccc(N2[C@H]3CC[C@H]2[C@H](O)[C@H](O)C3)c(F)c1F 2190456741 HWOROAVNMGGEFA-CBRVECNMSA-N 284.306 0.886 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)[C@]23CCCNC[C@@H]2C3)C1 2049785142 WNDIVZFTFVNEQS-RMIALFOJSA-N 250.342 0.642 10 10 CCCE COc1ccc(O)c([C@@H](C)N[C@H](CO)[C@@H](C)O)c1 2053798131 QTOVWLJEFFYLNE-KBVBSXBZSA-N 255.314 0.793 10 10 CCCE COc1cc(N)c(N2CCO[C@@H]([C@H](C)N)C2)cc1OC 2191560009 QOUSLCMGTWZSMT-LKFCYVNXSA-N 281.356 0.838 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C(=O)C[C@@]23CCOC3)cc1 2191633514 GQUWAKGZSAPMFA-CYBMUJFWSA-N 296.348 0.490 10 10 CCCE CO[C@H]1C[C@H](CN)N(S(=O)(=O)Cc2ccc(N)cc2)C1 2191782379 STJLWKDPBFARFE-OLZOCXBDSA-N 299.396 0.147 10 10 CCCE CC[C@@H](CCN)NC(=O)c1cc(O)c(O)c(O)c1 2068624180 NCMCSBXOQITXCU-QMMMGPOBSA-N 254.286 0.661 10 10 CCCE COc1cc(N2CC(C[S@](C)=O)C2)ccc1CN 2084012650 SSIZLKCVUUJGAM-SFHVURJKSA-N 268.382 0.969 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3C[C@@H]4[C@@H](CO)[C@@H]4C3)ccc21 2090737825 XOICFKBHMFITIC-MPPDQPJWSA-N 259.309 0.313 10 10 CCCE CCC1(C(=O)NCCc2ccc(O)c(O)c2)CNC1 2091747522 LHBOPZXFSQKQHG-UHFFFAOYSA-N 264.325 0.756 10 10 CCCE C[C@@]1(O)CON(C[C@H](O)COc2ccc(N)cc2)C1 2093401280 JTCPPMDVIQEKQA-AAEUAGOBSA-N 268.313 0.007 10 10 CCCE CN1CCN(CCc2ccc(N)cc2)S(=O)(=O)CC1 2098631089 OOMLVHIDFFDGEG-UHFFFAOYSA-N 283.397 0.389 10 10 CCCE CCN(c1ccc([C@@H](C)O)cc1)[C@@H]1CC(=O)NC1=O 2114730445 SHSONSZHIGPJSP-BXKDBHETSA-N 262.309 0.981 10 10 CCCE Nc1ccc(N2C(=O)N[C@@H]([C@H]3CCCO3)C2=O)cc1 2115903708 ZZDVLBCBOMIMDE-MNOVXSKESA-N 261.281 0.873 10 10 CCCE CCN(c1ccc(N)cc1)[C@@H]1CC(CO)(CO)C[C@H]1O 2206363445 XKXALYAAWDRYHA-ZIAGYGMSSA-N 280.368 0.589 10 10 CCCE COc1ccc(N2CC[C@](O)(C(N)=O)C2)cc1Cl 2219768908 KIQUOYVOJBAQEC-GFCCVEGCSA-N 270.716 0.775 10 10 CCCE COc1ccc(N2CCC2(CO)CO)c(CN)c1 2220415083 OVDMSVDNXRWZMG-UHFFFAOYSA-N 252.314 0.087 10 10 CCCE COC[C@@H]1[C@@H](O)[C@H](O)CN1c1c(F)cc(CO)cc1F 2233865282 HKJMTZNNDNTACE-NQBHXWOUSA-N 289.278 0.014 10 10 CCCE C[C@@H](O)c1ccc(N2C[C@@H](CO)C[C@@H](CO)C2)cc1O 2236636996 QPFYRHDIYXVXCC-UTUOFQBUSA-N 281.352 0.873 10 10 CCCE O[C@H]1C[C@H](O)CN(c2ccc3c(c2)OC(F)(F)O3)C1 2226700361 MBWDNWCEHSZUGV-IUCAKERBSA-N 273.235 0.940 10 10 CCCE CNC(=O)[C@H]1CCCN1c1ccc(OC)cc1CO 2227709084 PTUIAYYPJKJQCY-CYBMUJFWSA-N 264.325 0.902 10 10 CCCE CCc1nonc1Cn1ccc2c(c1=O)CNCC2 2274364593 XUAPNMNIGYPMIQ-UHFFFAOYSA-N 260.297 0.488 10 10 CCCE COc1ccc(N2C[C@@H]3OC[C@@H](CO)O[C@@H]3C2)cc1C 2279776076 SABIXXDKPLOPDS-VHDGCEQUSA-N 279.336 0.969 10 10 CCCE CC1(O)[C@H]2C[C@H]1CN(CC(=O)c1ccc(O)c(O)c1)C2 2286201699 CQSGCTXWAAQANR-QWRGUYRKSA-N 277.320 0.983 10 10 CCCE OC[C@@H]1CN(c2ccc(OC3CC3)cc2)C[C@H](O)[C@H]1O 2289358492 SRAIIRAVINBMTQ-LKTVYLICSA-N 279.336 0.378 10 10 CCCE CCS(=O)(=O)N(C)NCc1cccc(C)c1O 2301560398 ZRWXAXNFDUEMRX-UHFFFAOYSA-N 258.343 0.987 10 10 CCCE CCN(CCN=[N+]=[N-])C(=O)[C@H]1CN(C)CCN1C 2315987814 AHDDYGRICGOKNX-SNVBAGLBSA-N 254.338 0.391 10 10 CCCE Cc1cccc(CNS(=O)(=O)[C@@H]2CC[C@@H]2N)c1O 2316356538 YLWKXBRJFZEDLA-WDEREUQCSA-N 270.354 0.610 10 10 CCCE CN(CC1(O)CC1)C(=O)COc1ccc(N)cc1 2317880595 HTDBSCZKBDTHHZ-UHFFFAOYSA-N 250.298 0.631 10 10 CCCE COc1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CF)c(F)c1F 2333695308 GZEXVTKJEHFOCB-RWYTXXIDSA-N 277.242 0.853 10 10 CCCE Cc1cc(N2C[C@@H]3C[C@H]2[C@H](O)[C@H]3O)ccc1[C@H](C)O 2334468747 JHBWICNIJYCBIT-PJDGIUQASA-N 263.337 0.979 10 10 CCCE N[C@@H]1[C@H]2C[C@@H]1N(c1cc3c(cc1[N+](=O)[O-])OCCO3)C2 2354080086 RJXPTMZEIHUJIE-LCWDIZFYSA-N 277.280 0.902 10 10 CCCE Nc1ccc(OC[C@@H](O)CN2CC[C@@H]3C[C@]3(O)C2)cc1 2355181149 TUSDERJEOUHOTR-ZLDLUXBVSA-N 278.352 0.465 10 10 CCCE CCC1(CNC(=O)c2cc(O)c(O)c(O)c2)COC1 1148590092 WYNHKXNLYHOLOR-UHFFFAOYSA-N 267.281 0.960 10 10 CCCE CN(C)CCN1CCN(C(=O)c2cccc(O)c2O)CC1 126392069 NRIDJQGOSCIPLO-UHFFFAOYSA-N 293.367 0.417 10 10 CCCE C[C@@H](NC(=O)c1cccc(O)c1O)[C@@H](C)C(=O)O 126084554 SLOBHIVFSOXFON-RNFRBKRXSA-N 253.254 0.937 10 10 CCCE CCC[C@H](COC)NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 79748314 SHCVYUXHUQJFHH-NEPJUHHUSA-N 296.367 0.899 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCC(F)F 136597388 JTRMXFAMHIZNJM-ZETCQYMHSA-N 260.240 0.349 10 10 CCCE CCOC(=O)NS(=O)(=O)Nc1ccc(O)cc1F 163233848 BERCMWINZIWOQM-UHFFFAOYSA-N 278.261 0.934 10 10 CCCE CC(=O)C(=O)COC(=O)[C@@H]1CCCc2nn(C)cc21 808547599 BFDKFDZXFYFFOQ-SECBINFHSA-N 264.281 0.541 10 10 CCCE Oc1cc2c(cc1CNCC[C@H]1COC[C@@H]1O)OCO2 2167632977 AIHRIEJOAIKPBP-CABZTGNLSA-N 281.308 0.608 10 10 CCCE O=C1CC[C@@H](C(=O)NCc2ccccc2O)CCN1 815833350 JPWQFWOVYHSEPB-SNVBAGLBSA-N 262.309 0.925 10 10 CCCE Nc1ccc(N2CCC3(CC2)NC(=O)NC3=O)cc1 584615130 KXQBZODEZCZXEC-UHFFFAOYSA-N 260.297 0.447 10 10 CCCE COc1ccc(CNC(=O)[C@H]2CN(C)C(=O)N2)c(O)c1 846949410 HIFWBWCHAZYYOL-SNVBAGLBSA-N 279.296 0.041 10 10 CCCE CS(=O)(=O)C[C@H](O)CNCc1ccc2c(c1)CCO2 922826609 DDSIJKLFRLLGTF-GFCCVEGCSA-N 285.365 0.117 10 10 CCCE CNC[C@H](O)CN(C)c1cc2c(cc1N)OCCO2 1876664850 LBTSRPJZODGDSV-VIFPVBQESA-N 267.329 0.057 10 10 CCCE C[C@@H](O)[C@H]1CCCN1c1ccc2c(c1)NC(=O)[C@H]2N 1879184084 AYUHUNVXWIUHCV-WQHBLYJGSA-N 261.325 0.988 10 10 CCCE C[C@@H](O)c1cc(F)c(N2C[C@H](O)C[C@@H](O)C2)c(F)c1 1880481423 FLNFGSXLRNWAGY-SZEHBUNVSA-N 273.279 0.950 10 10 CCCE OC[C@H](C[C@H]1CCOC1)NCc1ccc(O)c(O)c1 1883200956 GHUAXMRYEQEJKI-NEPJUHHUSA-N 267.325 0.975 10 10 CCCE O=C1NC(=O)[C@H](CCC(=O)N2Cc3cccc(O)c3C2)N1 1302787408 NAKGBRBIJAZZQZ-JTQLQIEISA-N 289.291 0.223 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CCC(F)(CO)CC1 1963754999 UJAFMQGVDUBKKD-UHFFFAOYSA-N 283.299 0.963 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NCCCc1nc[nH]n1 1467449467 ICTSCOCOFNXYQP-UHFFFAOYSA-N 276.296 0.507 10 10 CCCE COCCCNC(=O)[C@@H](N)c1cccc(C)c1O 83392721 MAPLEFFUZLRYQM-NSHDSACASA-N 252.314 0.853 10 10 CCCE CN(C)c1ccc([C@@H](N)[C@@H](O)c2ncn(C)n2)cc1 2134179744 ORUMGZAYTBFPSE-VXGBXAGGSA-N 261.329 0.615 10 10 CCCE NC(=O)N[C@@H]1CCCN(CCc2ccc(N)cc2)C1 702146342 DUHATFVZDMNSCX-CYBMUJFWSA-N 262.357 0.944 10 10 CCCE CN1CC[C@H](N(C)C(=O)Nc2ccc(N)cc2)C1=O 690201969 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NC(=O)[C@H]1C[C@@H](NCc2cc3c(cc2O)OCO3)C1 846047001 RJXWLHBSYOEIRE-OTSSQURYSA-N 264.281 0.474 10 10 CCCE C[C@@H](O)c1ccc(N2C[C@@H](O)C[C@H]2CO)c(F)c1 698126602 FVNMLKFIILZKBM-MIMYLULJSA-N 255.289 0.811 10 10 CCCE CC(=O)C(=O)COC(=O)Cc1cc(C2CC2)no1 850156662 GTLGQJVUFCPYNR-UHFFFAOYSA-N 251.238 0.796 10 10 CCCE C[C@@](O)(CNC(=O)c1ccc(O)c(O)c1)C(F)F 698602518 SWSOTWAJKFSBFK-LLVKDONJSA-N 261.224 0.844 10 10 CCCE CC[C@H](Nc1c(N)cccc1C(=O)OC)C(=O)NC 697930061 CZWOWFCOPLJEMS-JTQLQIEISA-N 265.313 0.992 10 10 CCCE CSc1ncc(CNC[C@]2(CO)CCNC2)s1 2248745358 PJOJRZJWNUBAPY-NSHDSACASA-N 273.427 0.927 10 10 CCCE NC[C@@H]1C[C@H](Nc2c(N)cccc2C(=O)O)CCO1 1876469068 XOCFKHXTTKIXJC-BDAKNGLRSA-N 265.313 0.885 10 10 CCCE CN(CC1CNC1)C(=O)CCOc1ccc(N)cc1 1876446267 HESUGUPUFJOIRZ-UHFFFAOYSA-N 263.341 0.716 10 10 CCCE C[C@@]1(NCc2ccc(O)c(O)c2)CCS(=O)(=O)C1 36944422 SOIKBTJEIJAZAR-GFCCVEGCSA-N 271.338 0.765 10 10 CCCE O=C(NC1CC(CCO)C1)c1cccc(O)c1O 889983356 MJUCFZDTLPCDBU-UHFFFAOYSA-N 251.282 0.989 10 10 CCCE O=C(O)C(=O)CC[C@@H]1NCCc2c(O)ccc(O)c21 75799184 IVXAOPWVTVAPTQ-QMMMGPOBSA-N 265.265 0.719 10 10 CCCE O=C(O)[C@H]1COCCN1Cc1ccc(F)cc1O 1964725709 DYIMYQUPLBZLDM-SNVBAGLBSA-N 255.245 0.817 10 10 CCCE CC[C@@H](C)N(CCO)C(=O)c1cc(O)nc(O)c1 393975135 USUSSLMXESBZTO-MRVPVSSYSA-N 254.286 0.726 10 10 CCCE C[C@@H](NC(=O)c1ccco1)C(=O)NCCN=[N+]=[N-] 706126571 NZNSAPLFJIHFEN-SSDOTTSWSA-N 251.246 0.824 10 10 CCCE Nc1ccc(CC(=O)N2CCC(S(N)(=O)=O)CC2)cc1 707501637 XMYFCPLWYQFSGB-UHFFFAOYSA-N 297.380 0.091 10 10 CCCE C[C@H]1[C@@H](NC(=O)c2cc(O)nc(O)c2)C[C@H]2CC[C@H]1N2 709302084 PBZDYUWQVHASPD-WKJUBOCMSA-N 277.324 0.752 10 10 CCCE O=C1NC(=O)[C@]2(CCCN(Cc3ccccc3O)C2)N1 193468950 NGZXNWAHGUWSKI-CQSZACIVSA-N 275.308 0.566 10 10 CCCE CCN(c1ccc(N)cc1)S(=O)(=O)CCC(=O)OC 63114392 FQHPSKZQLOBRPG-UHFFFAOYSA-N 286.353 0.988 10 10 CCCE COC(=O)C1(O)CN(c2ccc([C@H](C)O)cc2F)C1 714485861 RHJUEGRHASTZFC-QMMMGPOBSA-N 269.272 0.603 10 10 CCCE Nc1ccc(NC(=O)CCN2CC3(COC3)C2)cc1 697115922 UZEUWQOBTQVBSE-UHFFFAOYSA-N 261.325 0.930 10 10 CCCE O=C1Nc2cc(N3CC=CC[C@@H]3CO)ccc2[C@@H]1O 2119846975 APMINIGLJRJSDS-MFKMUULPSA-N 260.293 0.799 10 10 CCCE CNC(=O)NC(=O)CCN1CC[C@H](CN=[N+]=[N-])C1 1912158923 AXZVZMHRRPHZRM-MRVPVSSYSA-N 254.294 0.464 10 10 CCCE COCCNS(=O)(=O)N1CC[C@@H](CN=[N+]=[N-])C1 1912158042 UPAWFECMDDNUMY-QMMMGPOBSA-N 263.323 0.099 10 10 CCCE OCC1(CO)CCCN1c1ccc2c(c1)CC[C@@H]2O 2128325721 WXRWWZVAWNHQKX-AWEZNQCLSA-N 263.337 0.990 10 10 CCCE NC(=O)[C@@H]1CCCN1Cc1ccc(N2CCOCC2)cc1 160327317 OVBDIIWOWBIZAS-HNNXBMFYSA-N 289.379 0.973 10 10 CCCE C[C@H]1CO[C@H](CNC(=O)c2cc(O)c(O)c(O)c2)C1 2132401782 BAZFOLUAGWAWDR-APPZFPTMSA-N 267.281 0.958 10 10 CCCE COCC1(NC(=O)CCc2ccc(N)cc2)COC1 2132737626 LLXSBXVOZOIJFJ-UHFFFAOYSA-N 264.325 0.733 10 10 CCCE CN(CCO)c1cc2c(cc1[N+](=O)[O-])OCCO2 1917247118 MHAHCNOZLPSONE-UHFFFAOYSA-N 254.242 0.795 10 10 CCCE CC1(C)C(=O)NCCN1C(=O)COc1ccc(N)cc1 110652411 KUPKVJPGKKDOLF-UHFFFAOYSA-N 277.324 0.385 10 10 CCCE C[C@]1(CO)COCCN(Cc2cc(N)ccc2O)C1 2135091284 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O=C(O)[C@@H]1[C@H]2OCCN(C(=O)c3ccc(O)c(O)c3)[C@H]12 2149282065 WCTIZXSGUZEMGY-HBNTYKKESA-N 279.248 0.022 10 10 CCCE C[C@H](O)c1ccc(N2C[C@@H]3OCCN(C)[C@H]3C2)cc1O 2153983918 SYGIIABWLCLFID-XEGUGMAKSA-N 278.352 0.965 10 10 CCCE Cn1ncc(S(=O)(=O)Nc2ccc(O)cc2F)n1 2027816809 YFSGODXJAUEIMX-UHFFFAOYSA-N 272.261 0.461 10 10 CCCE CS(=O)(=O)N1CCN(Cc2cc(N)ccc2O)CC1 62081505 UDNNTJNKJXSUNU-UHFFFAOYSA-N 285.369 0.052 10 10 CCCE Nc1ccc(CS(=O)(=O)NCc2ncno2)cc1 2034946709 VFUXUHXITVUWAA-UHFFFAOYSA-N 268.298 0.271 10 10 CCCE Cc1nn(C)c(C)c1[C@H](NCCN=[N+]=[N-])C(N)=O 307985257 JJJLAJRYJOPUBD-VIFPVBQESA-N 251.294 0.463 10 10 CCCE CO[C@@]1(CN)CCCN(C(=O)c2ccc(O)c(O)c2)C1 402798002 VUOPBDSPPCJDFG-CQSZACIVSA-N 280.324 0.678 10 10 CCCE CCNC(=O)NCCNC(=O)Cc1ccc(N)cc1 311762598 FDVLUZMGQYVCCM-UHFFFAOYSA-N 264.329 0.247 10 10 CCCE [N-]=[N+]=NCCCN[C@@]1(C(=O)O)CC(=O)N2CCCC[C@@H]21 312355106 GCHYVANVEMGLQX-SKDRFNHKSA-N 281.316 0.885 10 10 CCCE CN1CCc2cc([C@@H]3NC(C)(C)C(=O)NC3=O)ccc21 313103188 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CCOC1CN(C[C@@H](O)COc2ccc(N)cc2)C1 383302451 ZYLJLZDDYMLOHH-GFCCVEGCSA-N 266.341 0.729 10 10 CCCE CN(C(=O)CN1CC(O)(C2CC2)C1)c1ccc(N)cc1 384096036 XZDUNQAZTFYMRU-UHFFFAOYSA-N 275.352 0.688 10 10 CCCE C[C@@H]1[C@H](NC(=O)c2cccc(O)c2O)CCN1C 719336380 IDIMAKNUHYKECJ-PSASIEDQSA-N 250.298 0.920 10 10 CCCE C[C@]1(CO)C[C@@H](O)CN1CCCOc1ccc(N)cc1 698155531 CTCMUIZVXPMUKJ-UKRRQHHQSA-N 280.368 0.855 10 10 CCCE Cc1cc(O)n2ncc(C(=O)N3CCOC[C@@H](C)C3)c2n1 2063669238 AEJQRKLTYSOSLL-VIFPVBQESA-N 290.323 0.852 10 10 CCCE O=C(N[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)O)c1cc(O)nc(O)c1 2174238451 SGOQQGXMXZNIJG-UYXSQOIJSA-N 278.264 0.332 10 10 CCCE Cn1c(CN2CCC[C@H]2CN=[N+]=[N-])cc(=O)n(C)c1=O 2179616423 BSYIPDPUSPMSFF-VIFPVBQESA-N 278.316 0.359 10 10 CCCE O=C1CC[C@@H]1CS(=O)(=O)NCCc1ccc(O)c(O)c1 2178201124 KGSBMKCKNGDYCP-SNVBAGLBSA-N 299.348 0.539 10 10 CCCE COC(=O)[C@@](C)(N)[C@H](O)c1ccc2c(c1)CCCN2C 2178479276 YVLRLJLHCWPVGW-HIFRSBDPSA-N 278.352 0.993 10 10 CCCE Cn1nnc2c(OCCc3ccc(N)cc3)ncnc21 2176337066 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CCCE NN[C@@H](c1ccccc1O)[C@H]1[C@@H]2CS(=O)(=O)C[C@@H]21 2054212823 YREPWKBURLGUBZ-SPFNVWMYSA-N 268.338 0.187 10 10 CCCE CO[C@@]1(CN(C)C(=O)c2ccc(O)c(O)c2)CCOC1 2186195013 LZXCYNFMAKIUSK-CQSZACIVSA-N 281.308 0.975 10 10 CCCE COc1cc(N)c(N2CCO[C@@H](CCN)C2)cc1OC 2191896787 GSICAPJDMILWPR-JTQLQIEISA-N 281.356 0.840 10 10 CCCE CN(CCC1CNC1)c1cc2c(cc1N)OCC(=O)N2 2191901024 SRQLREPFJIRCFI-UHFFFAOYSA-N 276.340 0.645 10 10 CCCE CONCCCNS(=O)(=O)Cc1ccc(N)cc1 2071665619 KXLQOCSNLVTGFX-UHFFFAOYSA-N 273.358 0.229 10 10 CCCE C[C@H](NC(=O)[C@@]1(O)CCNC1)c1ccccc1O 2072486411 MEVPCMZXKOXJIQ-TVQRCGJNSA-N 250.298 0.294 10 10 CCCE COC(=O)NS(=O)(=O)N[C@@H](C)c1ccccc1O 2072485734 WPQNLRMBNZNUIB-ZETCQYMHSA-N 274.298 0.644 10 10 CCCE NCc1ncc(NC(=O)c2cc(O)c(O)c(O)c2)cn1 2199639820 UKDCEVYNUOJFEO-UHFFFAOYSA-N 276.252 0.304 10 10 CCCE C[C@H](NC(=O)NCc1ccccc1O)S(C)(=O)=O 2082899693 ZFBAHYFOUVIRKR-MRVPVSSYSA-N 272.326 0.582 10 10 CCCE CNC[C@H](C)S(=O)(=O)NCc1ccc(N(C)C)cc1 2104183331 NYXIRTWVGGZTBT-NSHDSACASA-N 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O=C(NC[C@@H]1C[C@@H]2COC[C@@H]2O1)c1cccc(O)c1O 724542933 RORZPOXLGRVIFC-PTRXPTGYSA-N 279.292 0.632 10 10 CCCE COC(=O)Cc1sccc1C(=O)OCC(=O)C(C)=O 815456415 OAUGBZSZAHBFKX-UHFFFAOYSA-N 284.289 0.779 10 10 CCCE CO[C@@H]1CS(=O)(=O)C[C@@H]1OCc1ccc(N)cc1 696823871 YLIGKCLZGNAUJE-NEPJUHHUSA-N 271.338 0.597 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H](O)c1cnc[nH]1 1558341656 MDARKXFZSWUNLV-GFCCVEGCSA-N 277.280 0.213 10 10 CCCE COC(=O)[C@@H](N)CCNC(=O)Nc1ccc(N)cc1 1876171650 OBRNFADHZRPWAD-JTQLQIEISA-N 266.301 0.281 10 10 CCCE COc1ccc(N2C[C@@H](N)CC[C@H]2C(=O)O)c(N)c1 1876551594 VOAGTCHRARVXSQ-UFBFGSQYSA-N 265.313 0.658 10 10 CCCE C[C@H](NC(=O)[C@H]1[C@@H]2OCCN[C@@H]21)c1ccccc1O 1877584654 AEFOCBDYEOKSSW-KKBFJBPOSA-N 262.309 0.556 10 10 CCCE COC(=O)CCNC(=O)[C@@H](N)c1ccc(C)cc1O 83483778 DLXGLBFGZMNOTH-LBPRGKRZSA-N 266.297 0.380 10 10 CCCE Cc1cccc([C@H](N)c2nnc([C@H](O)C(=O)O)o2)c1O 83588001 RFUUGRUYEUZEIQ-CBAPKCEASA-N 279.252 0.250 10 10 CCCE CN(Cc1nnn(C)n1)c1ccc2c(c1)CC[C@H]2N 1893007778 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C[C@@H](c1c(O)cccc1O)N1CCNC[C@@H]1C(=O)O 235540083 ZJQJFPFZNCFQGQ-DTWKUNHWSA-N 266.297 0.517 10 10 CCCE COC(=O)[C@](C)(N)c1ccc(N2CCOCC2)cc1 1951783399 ISTKXRPQMPWLME-CQSZACIVSA-N 264.325 0.870 10 10 CCCE COC(=O)[C@@H](OC)[C@@H](N)Cc1ccc(O)c(O)c1 1951835109 VNVSYWVUVBMJLX-KWQFWETISA-N 255.270 0.156 10 10 CCCE N[C@H](CC1(c2cc(O)c(O)c(O)c2)CC1)C(=O)O 1952089994 LYBHYEFWNWDHJU-SSDOTTSWSA-N 253.254 0.637 10 10 CCCE CCn1cc(S(=O)(=O)NCCc2ccc(N)cc2)nn1 2144400646 RQWPURALNCXACZ-UHFFFAOYSA-N 295.368 0.401 10 10 CCCE NC(=S)c1cnc[nH]c1=NCCc1ccc(O)c(O)c1 2148002402 AXDIUJVBCKEGKF-UHFFFAOYSA-N 290.348 0.599 10 10 CCCE Cn1nnc(C(=O)[C@@H]2CCCC(=O)C2=O)c1C(F)(F)F 2144624933 OWHREGLACWWKEZ-RXMQYKEDSA-N 289.213 0.955 10 10 CCCE CC(C)CNC(=O)N(CC(N)=O)Cc1ccc(N)cc1 2152115303 XOFBVBMLWBTROO-UHFFFAOYSA-N 278.356 0.922 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3CCOC[C@H]3CO)c(Cl)cc21 168244411 RFMDLKSXOWNDKS-JMCQJSRRSA-N 297.742 0.489 10 10 CCCE C[C@H](O)c1ccc(N2CC(O)(CO)C2)c(Cl)c1 2004524715 YZVYWCAOJMJLRB-QMMMGPOBSA-N 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COc1ccc(N2CC(NS(=O)(=O)C(C)C)C2)c(N)c1 2165627278 SNENOQJJQQRNDY-UHFFFAOYSA-N 299.396 0.794 10 10 CCCE Cc1cc(O)n2ncc(C(=O)N3CCc4nc[nH]c4C3)c2n1 2064251536 IPIJOXQNMIOTRS-UHFFFAOYSA-N 298.306 0.665 10 10 CCCE N[C@H]1CN(c2ccc3c(c2)OCCCO3)CC[C@@H]1CO 2178907119 NZYXBGKTCMMXAP-YPMHNXCESA-N 278.352 0.994 10 10 CCCE CC1(C)C[C@@]1(NC(=O)c1cc(O)c(O)c(O)c1)C(=O)O 2188868940 ZXMMHDKYWWXNKU-CYBMUJFWSA-N 281.264 0.787 10 10 CCCE CC(C)[C@@H](CNC(=O)c1cc(O)c(O)c(O)c1)C(=O)O 2188868841 XUBWANBWAPVEAZ-MRVPVSSYSA-N 283.280 0.890 10 10 CCCE O=C1CC[C@@H]2CN(C(=O)c3cc(O)c(O)c(O)c3)C[C@H]12 2188925485 URKNVNRJRNVWLG-APPZFPTMSA-N 277.276 0.855 10 10 CCCE O=C(N[C@@H]1CCN[C@H]2CC[C@H]21)c1cc(O)c(O)c(O)c1 2188917893 AIIPEXXPBCMFQL-KXUCPTDWSA-N 278.308 0.674 10 10 CCCE C[C@H](N)[C@@H]1CCN1C(=O)Cc1ccc(O)c(O)c1 2045156865 HLFVCTQQZOZMLU-WPRPVWTQSA-N 250.298 0.588 10 10 CCCE CCN[C@H]1CC[C@@H]1NC(=O)c1cc(O)nc(O)c1 2053081669 RBMNFIRZOLIIIM-IUCAKERBSA-N 251.286 0.363 10 10 CCCE 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O=C(Cc1ccc(O)c(O)c1)N[C@@H]1C[C@H]2CNC[C@@H]1C2 2354576015 KCDSZHNUXRTLMZ-SDDRHHMPSA-N 276.336 0.755 10 10 CCCE Oc1cccc(CNC[C@@H]2C[C@@H]3C[C@H]2[C@@H](O)[C@H]3O)c1O 2355454250 IYSLSOUAZQCGHL-KAEXTRBYSA-N 279.336 0.565 10 10 CCCE CN(C)[C@@H]1CCN(CC(=O)c2ccc(O)c(O)c2)C1 62966738 MIXDWSCZQZIIJL-LLVKDONJSA-N 264.325 0.916 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCC1CCOCC1 111174503 ZEOAQHFYFSZQEL-LBPRGKRZSA-N 294.351 0.510 10 10 CCCE C[C@@H](O)CN(CCO)c1ccc(CN)c(Cl)c1 310332088 KHGSGKISURTVKL-SECBINFHSA-N 258.749 0.978 10 10 CCCE C[C@@H](N)c1ccc(N2C[C@H](O)[C@@H](O)C2)cc1Cl 235223843 FNQFUUDUBNPMAK-MKCWBWRRSA-N 256.733 0.902 10 10 CCCE COCCN(C(=O)[C@@H](N)Cc1ccc(O)c(O)c1)C1CC1 40467990 XYOHFQZYOVFUTG-LBPRGKRZSA-N 294.351 0.605 10 10 CCCE Cc1n[nH]cc1CNC(=O)Cc1ccc(O)c(O)c1 1543565179 GOXOWCADJDZPBR-UHFFFAOYSA-N 261.281 0.988 10 10 CCCE Nc1ccc(CS(=O)(=O)NCc2ccon2)cc1 148611179 IAORHCZWRVINHU-UHFFFAOYSA-N 267.310 0.876 10 10 CCCE O=C(O)[C@@H](O)c1ccc(Br)c(O)c1O 258408819 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O=C(N[C@@H]1COC[C@@H]1F)[C@@H]1CNc2ccccc2N1 1876140589 QLXVHTNNYYRJFF-KPXOXKRLSA-N 265.288 0.746 10 10 CCCE NC(=O)c1cccc(N)c1N[C@@H]1CC[C@H]2CNC[C@H]21 1876497368 RNXSBZZLXGADJK-MKPLZMMCSA-N 260.341 0.778 10 10 CCCE O=S1(=O)CCOCCN1CCc1ccc(O)c(O)c1 1876992150 JLYLXETZJYBWRY-UHFFFAOYSA-N 287.337 0.302 10 10 CCCE Cc1nc([C@H](C)NC(=O)Cc2ccc(O)c(O)c2)n[nH]1 1157045433 RXJCGAJIKGGTIG-ZETCQYMHSA-N 276.296 0.944 10 10 CCCE O=C(CNC(=O)c1cccc(O)c1O)NC1CCC1 1963568684 DNYNVAXZZAVHHF-UHFFFAOYSA-N 264.281 0.496 10 10 CCCE OCCN1CCN(c2ccc3c(c2)OCO3)CC1 58499481 AJNYQCLXXIBBTB-UHFFFAOYSA-N 250.298 0.530 10 10 CCCE COc1ccc(N2CC(O)(CCO)C2)c(OC)c1 2258286238 GTKMAYUEDGFEPL-UHFFFAOYSA-N 253.298 0.637 10 10 CCCE COc1ccc(N2CC(=O)NC[C@@H]2C)cc1C(=O)O 84630752 KOHBUXWHCDPNEI-QMMMGPOBSA-N 264.281 0.718 10 10 CCCE COc1ccc(O)c(CN[C@H]2CCC(=O)NC2)c1 111016439 AOSLNWOXFQTPED-JTQLQIEISA-N 250.298 0.769 10 10 CCCE Nc1ccc(CS(=O)(=O)NCCc2cc[nH]n2)cc1 714499938 ISACLQBFWBECLC-UHFFFAOYSA-N 280.353 0.654 10 10 CCCE CN(CC(C)(CO)CO)C(=O)Nc1ccc(N)cc1 689708190 YSGFHCQHYNSAIQ-UHFFFAOYSA-N 267.329 0.723 10 10 CCCE C[C@@H](CNC(=O)c1ccc(O)c(O)c1)S(C)(=O)=O 697590190 ZUAAZPXGAJRHKN-ZETCQYMHSA-N 273.310 0.261 10 10 CCCE COc1ccc([C@H](C)N[C@@H](C)[C@@H](O)CO)c(O)c1 699003488 FDJFTPDVQVNPGB-RVBZMBCESA-N 255.314 0.793 10 10 CCCE C[C@@]1(C(=O)O)COC[C@H]1NC(=O)Cc1ccc(N)cc1 90572480 POCLFOPTZVANSX-BXUZGUMPSA-N 278.308 0.417 10 10 CCCE C[C@]1(NCc2cccc(O)c2O)CCC(=O)NC1=O 2116209946 YPKJSYQRJPABKA-ZDUSSCGKSA-N 264.281 0.383 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CNC[C@H]1F 2120662396 BZQKZGWLLMHASF-NXEZZACHSA-N 268.288 0.314 10 10 CCCE Cc1nn(CC(=O)c2ccc(O)c(O)c2)c(=O)o1 1614685410 SMKZVRNLJBMXIF-UHFFFAOYSA-N 250.210 0.439 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CCO[C@]2(CCOC2)C1 1625722006 ZDQMJGRDOSCQAC-OAHLLOKOSA-N 293.319 0.658 10 10 CCCE C[C@H]1CN(c2ccc3c(c2)OCO3)C[C@H](CN)N1C 216991197 HRIFTUUCYNMZMQ-JQWIXIFHSA-N 263.341 0.883 10 10 CCCE CN(C)c1ccc(C=CC(=O)NC(CN)CN)cc1 1912034595 OTRHBTAARDMQOC-UHFFFAOYSA-N 262.357 0.168 10 10 CCCE [N-]=[N+]=N[C@H]1CCCN(S(=O)(=O)N2CC[C@H](O)C2)C1 1912183408 OWQNLZGURMMGFQ-IUCAKERBSA-N 275.334 0.073 10 10 CCCE COCCNS(=O)(=O)N1CCC[C@@H](CN=[N+]=[N-])C1 1912172244 SEXFFZKCODKYQH-VIFPVBQESA-N 277.350 0.490 10 10 CCCE Nc1ccc(CCN2C[C@@H]3C[C@H](C2)[C@H](O)[C@H]3O)cc1 2126162788 VTTYHGXGKDIDTJ-NEBZKDRISA-N 262.353 0.485 10 10 CCCE C[C@@]1(O)CCCN(C(=O)c2cc(O)nc(O)c2)C1 163498450 YWVKPGBMRPGQIW-GFCCVEGCSA-N 252.270 0.480 10 10 CCCE O=[N+]([O-])c1cc(N2C[C@@H](F)[C@@H](CO)C2)ccc1CO 2132057861 JLSSMMJVLMKTDS-MWLCHTKSSA-N 270.260 0.854 10 10 CCCE C[C@@H](NC1CN(C(N)=O)C1)c1ccc(O)cc1O 1917779063 RKPCBZABYGMHRS-SSDOTTSWSA-N 251.286 0.511 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NCC[C@@H]1CCCN1 1969445029 WIPSPGTVYQKSTG-NSHDSACASA-N 264.325 0.899 10 10 CCCE C[C@@H](NCc1cccc(F)c1O)C(=O)N1CCOCC1 228096626 WASHIXGHYJVNPF-SNVBAGLBSA-N 282.315 0.868 10 10 CCCE CN(C(=O)CN1CC[C@@](C)(O)C1)c1ccc(N)cc1 234257839 LJBDPKYHDXHEOD-CQSZACIVSA-N 263.341 0.688 10 10 CCCE 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C[C@H]1CCNC(=O)[C@H]1CNCc1ccc(O)cc1O 2103041487 OIQFGOYFYXWZDJ-CABZTGNLSA-N 264.325 0.960 10 10 CCCE Cc1cc(CN)ccc1N1CCOC[C@@H]1[C@H](O)CO 2090135367 GCTJTSIFTIJYLD-ZIAGYGMSSA-N 266.341 0.012 10 10 CCCE CS(=O)(=O)C[C@H]1CCCN1Cc1cc(N)ccc1O 2094937359 KVSGMEIEGKQUMD-GFCCVEGCSA-N 284.381 0.983 10 10 CCCE CCCNCc1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)cc1 2201032975 KKDDEFQUCPEMNN-KKUMJFAQSA-N 280.368 0.089 10 10 CCCE NCCc1nnc(NC(=O)COc2ccc(N)cc2)o1 2203637097 FGUKJNRFPIWOJP-UHFFFAOYSA-N 277.284 0.171 10 10 CCCE COc1cc(N2C[C@H](O)[C@@H](O)C2)ccc1CNC(C)C 2204554933 VBSWTYSVXNYBPE-KBPBESRZSA-N 280.368 0.735 10 10 CCCE COc1cc(N2[C@H](CO)C[C@@H]3OCC[C@@H]32)ccc1CO 2204553545 LIFQYBUDRLJHOQ-YDHLFZDLSA-N 279.336 0.916 10 10 CCCE CO[C@H]1CNC[C@H](C(=O)NCc2cccc(C)c2O)C1 2204619781 AHAZTWZMFUYQRI-CHWSQXEVSA-N 278.352 0.941 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCN([C@@H]2CC(CO)(CO)C[C@H]2O)C1 2206389102 AWIFEVXSKBHHJZ-QJPTWQEYSA-N 284.360 0.503 10 10 CCCE CSc1ncc(CN[C@@H]2CN(C)C[C@H]2O)s1 2208802342 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0.497 10 10 CCCE CN(Cc1ccccc1O)[C@@H]1COC[C@@H]1C(=O)O 90426039 XWYHQDAGYMHKHR-WDEREUQCSA-N 251.282 0.924 10 10 CCCE C[C@@H]1CO[C@H](CO)CN1c1ccc2c(c1)N(C)C(=O)[C@H]2N 251932028 YUXYOWAAIFAZEK-PUYPPJJSSA-N 291.351 0.249 10 10 CCCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CSC(=O)N1 274936769 ORFDLUZFHGVZBI-IONNQARKSA-N 296.348 0.970 10 10 CCCE CN(C)C1[C@@H]2CN(c3ccc4c(c3)NC(=O)[C@H]4N)C[C@@H]12 384978062 YURUNSYYKJYBBC-WZRBSPASSA-N 272.352 0.635 10 10 CCCE O=C(O)/C=C\c1ccc(N2CC(=O)NC(=O)C2)c(Cl)c1 382979706 WLRDRWYKERRPIH-RQOWECAXSA-N 294.694 0.901 10 10 CCCE NCC1(F)CC(CNC(=O)Cc2ccc(O)c(O)c2)C1 2168222516 KAOMBQHYYJRTFK-UHFFFAOYSA-N 282.315 0.834 10 10 CCCE COCCn1cnnc1[C@H](N)Cc1ccc(O)c(O)c1 54525979 KDFFROXRNPBIBA-SNVBAGLBSA-N 278.312 0.578 10 10 CCCE COc1cc(N)c(N2CCN(C(N)=O)CC2)cc1OC 721803989 AHPMWATYSHBSBY-UHFFFAOYSA-N 280.328 0.487 10 10 CCCE COc1ccc(N2CCCN(C(=O)CC(N)=O)CC2)cc1 740741176 QVSLXNNGQLYQIY-UHFFFAOYSA-N 291.351 0.609 10 10 CCCE Cc1ccc(C(=O)N2CCO[C@H](CC(N)=O)C2)c(O)c1O 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CO[C@H]1CS(=O)(=O)C[C@H]1NCc1ccc(F)cc1O 1964601498 VNMIGCMUSBDSHE-PWSUYJOCSA-N 289.328 0.433 10 10 CCCE CCOc1cccc(CNC(=O)[C@@H](N)COC)c1O 83497204 PDNNXILRJBHOOW-JTQLQIEISA-N 268.313 0.381 10 10 CCCE CS(=O)(=O)N[C@H]1CCCN(c2ccc(N)cc2)C1 705780722 OFKJASILKPBGQD-NSHDSACASA-N 269.370 0.787 10 10 CCCE C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)c2cccc(O)c2O)CC1=O 1294085497 ZTOPDVUXUZYQIQ-KKZNHRDASA-N 290.319 0.837 10 10 CCCE C[C@@H]1CN(c2ccc3c(c2)OCO3)[C@H](CO)CN1C 217094720 FEYTZBVCQKBFMY-PWSUYJOCSA-N 264.325 0.917 10 10 CCCE COc1ccc(N2[C@@H](CO)C(=O)NCC2(C)C)cc1 217091115 CFIYSTQUJOHMHQ-LBPRGKRZSA-N 264.325 0.771 10 10 CCCE COc1ccc(N2C[C@H](C)N[C@@H](CO)C2)c(OC)c1 217179192 SQXQTSLUCPJVOW-WDEREUQCSA-N 266.341 0.863 10 10 CCCE Nc1ccc(OCCN2C[C@@H]3OC(=O)N[C@@H]3C2)cc1 2120415276 HAMBHHDWHOSLLX-NEPJUHHUSA-N 263.297 0.440 10 10 CCCE NCc1ccc(N2C[C@@H]3[C@@H](CO)CO[C@H]3C2)cc1F 2121589836 ABPXFSGQCOAHQM-SUHUHFCYSA-N 266.316 0.728 10 10 CCCE CN1C(=O)[C@H](O)c2ccc(N(C)[C@H]3C[C@H](O)C3)cc21 2122888622 YXTFKSNRLMHSTQ-GIPNMCIBSA-N 262.309 0.656 10 10 CCCE O=C(NCc1ccc(O)cc1O)[C@H](O)c1cccnc1 1626837626 AVWDZNPXRBKVRZ-CYBMUJFWSA-N 274.276 0.843 10 10 CCCE C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)[C@@H]1CN(C)CCO1 1631259500 ZAVKUMHXYLLRRA-YGRLFVJLSA-N 294.351 0.476 10 10 CCCE C[C@H]1CN(C(=O)CN2CC(N=[N+]=[N-])C2)C[C@@H](C)O1 1912177572 GBMOXNXMHOPYRD-DTORHVGOSA-N 253.306 0.617 10 10 CCCE CN(CCCN=[N+]=[N-])S(=O)(=O)c1cnn(C)n1 1912195176 NZZKBVBCSLDLNH-UHFFFAOYSA-N 259.295 0.136 10 10 CCCE Cc1ccc(C(=O)NCCC[C@H]2C=NNC2=O)c(O)c1O 1642448440 JKNNENCGKGXNFR-VIFPVBQESA-N 291.307 0.648 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@@H]3[C@H](CO)[C@@H]3C2)cc1 2125583515 USAJARQSMKQCDM-CLLJXQQHSA-N 282.365 0.269 10 10 CCCE NCc1ccc(N2C[C@@H]3C[C@H](C2)[C@@H](O)[C@H]3O)cc1F 2126161252 HTETZAWAKLXYQZ-IOQCUFBNSA-N 266.316 0.462 10 10 CCCE NCc1ccc(N2CC3(C2)OC[C@@H](O)[C@@H]3O)cc1Cl 2127250277 ICJBPGDETGOJJV-NEPJUHHUSA-N 284.743 0.110 10 10 CCCE N[C@H]1CCc2cc(N3C[C@H](O)[C@@H]4COC[C@H]43)ccc21 2128322697 RYPBCNXZNNVIDP-BARDWOONSA-N 260.337 0.829 10 10 CCCE N[C@@H]1CCc2cc(N3C[C@H]4C[C@H]3[C@H](O)[C@@H]4O)ccc21 2128296158 QCLPIYXDUHSAHT-CEVLRCNZSA-N 260.337 0.563 10 10 CCCE C[C@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)[C@@H]1CN 2132409026 BMAYTPKPJOXXAE-IONNQARKSA-N 266.297 0.613 10 10 CCCE Cc1cc(=NC(=O)c2cc(O)c(O)c(O)c2)[nH]n1C 2132348449 LRUAABZRRFNITB-UHFFFAOYSA-N 263.253 0.520 10 10 CCCE CC1(C)C[C@H](O)[C@H](O)CN1c1ccc(CN)c(F)c1 2132116272 PJNUFHLZKMXTBR-QWHCGFSZSA-N 268.332 0.995 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@H]2CO[C@@H](C2)C1 2132407976 TUZXECZZERIUOT-CBAPKCEASA-N 265.265 0.664 10 10 CCCE CO[C@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)C[C@H]1F 2132414531 XWPSLUATHXRUHP-XCBNKYQSSA-N 271.244 0.612 10 10 CCCE CO[C@@H]1COCC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 1148590201 YSPBIUMJSUULEL-LDYMZIIASA-N 283.280 0.337 10 10 CCCE CCN(C)C(=O)CNC(=O)[C@H]1CNc2ccccc2N1 220157851 JCOCFTPJDRVWJO-GFCCVEGCSA-N 276.340 0.487 10 10 CCCE C[C@@H]1CN(C[C@H](O)COc2ccc(N)cc2)CCN1C 110700794 IUIXCXQHQDMDID-OCCSQVGLSA-N 279.384 0.644 10 10 CCCE OCc1cc(F)c(N2CC[C@H](O)C[C@H]2CO)c(F)c1 2136083605 WSVNQZAYQIIRIM-UWVGGRQHSA-N 273.279 0.779 10 10 CCCE COc1cc(N2CC(CNC(N)=O)C2)ccc1CO 2139683753 AIJBFAQSCCNWJQ-UHFFFAOYSA-N 265.313 0.292 10 10 CCCE Cc1noc(CCNC(=O)Cc2ccc(N)cc2)n1 226329018 OXEFBAMRBYUVAR-UHFFFAOYSA-N 260.297 0.862 10 10 CCCE Cc1cccc(CNC(=O)CN2CC(CN)C2)c1O 2139744312 VUHIPAMWLOKEGH-UHFFFAOYSA-N 263.341 0.207 10 10 CCCE Cc1cccc(CNC(=O)[C@H]2C[C@H](N)CCO2)c1O 2139759600 YNXGPKWPLMLQFY-VXGBXAGGSA-N 264.325 0.823 10 10 CCCE O=C(O)C[C@@]1(O)CCN(Cc2ccc(F)cc2O)C1 2139771769 FNTDVYPSXKGCJM-ZDUSSCGKSA-N 269.272 0.943 10 10 CCCE C[C@H](NC[C@]1(O)CCOC1)c1c(O)cccc1O 227120249 HTRQPFUQUPUHHE-TVQRCGJNSA-N 253.298 0.900 10 10 CCCE CN(C)[C@@H]1COC[C@@H]1NC(=O)CCc1ccc(N)cc1 1922109370 BWMNHHPLHSHYDJ-UONOGXRCSA-N 277.368 0.647 10 10 CCCE COCCNC(=O)CN[C@@H](C)c1cc(O)ccc1O 228695869 GRILKRFJVLBEQG-VIFPVBQESA-N 268.313 0.511 10 10 CCCE CN1C[C@@H](C(=O)O)N(Cc2cc(Cl)ccc2O)CC1=O 1968209399 WDHBAPNOBUIOSZ-JTQLQIEISA-N 298.726 0.773 10 10 CCCE CO[C@H]1CN(C(=O)COc2ccc(N)cc2)C[C@H]1OC 234997845 GOHMHPSDQSUCKS-BETUJISGSA-N 280.324 0.520 10 10 CCCE O[C@@H]1CN(c2ccc(CNC3CC3)cc2F)C[C@H]1O 236526455 BUSKJBVGANVMGF-ZIAGYGMSSA-N 266.316 0.620 10 10 CCCE CN1C[C@H](c2ccc([N+](=O)[O-])cc2O)NCC1=O 1951853107 GVCFDAONHAJBAM-SECBINFHSA-N 251.242 0.403 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@]12CCC[C@@H]1CNC2 2144029685 KAODBIVWEGIASZ-ABAIWWIYSA-N 276.336 0.899 10 10 CCCE C[C@]12CNC[C@H]1CN(C(=O)Cc1ccc(O)c(O)c1)C2 2144023417 IHTXFEXILCAXQQ-XHDPSFHLSA-N 276.336 0.708 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NC1C[C@@H]2CNC[C@H]2C1 1971280701 YWFQDSPVZZOKQW-GHMZBOCLSA-N 276.336 0.755 10 10 CCCE O=C(O)CN(CC1CC1)C(=O)Cc1ccc(O)c(O)c1 1972964322 XRWHUFDAYKIKKM-UHFFFAOYSA-N 279.292 0.964 10 10 CCCE C[C@H](c1ccccc1O)N(C)S(=O)(=O)c1cnnn1C 2144425315 ASUBCUUIMFMYLC-SECBINFHSA-N 296.352 0.902 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1CC[C@H]2C[C@H]21 2144545594 DTNMOWAASYCODX-WHOHXGKFSA-N 276.336 0.882 10 10 CCCE Nc1ccc(OCCCN2C[C@@H](CO)C[C@@H]2CO)cc1 2146073879 TYYGYHVSYYEUSK-GXTWGEPZSA-N 280.368 0.713 10 10 CCCE O=C(NC[C@@H]1C[C@@H]2OCC[C@H]2N1)c1ccc(O)c(O)c1 2146639853 XPXAWMQQZQYSHU-CWSCBRNRSA-N 278.308 0.347 10 10 CCCE Nc1ccc(CCC(=O)NC[C@H]2CCS(=O)(=O)C2)cc1 40346426 SODMHGQUSIKNGW-GFCCVEGCSA-N 296.392 0.752 10 10 CCCE OCC12COC(CNCc3ccc(O)c(O)c3O)(C1)C2 2159570384 WELCYBNZSQBJEK-UHFFFAOYSA-N 281.308 0.435 10 10 CCCE C[C@H](NC(=O)COc1ccc(N)cc1)[C@@H]1COCCO1 2159995293 SZUFDLKLVZWWLW-GWCFXTLKSA-N 280.324 0.568 10 10 CCCE C[C@H](F)CNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 2028234726 JBXADZLBRBVWTJ-CBAPKCEASA-N 256.277 0.442 10 10 CCCE C[C@H]1CCN(c2ccc(CN)cc2F)[C@@H]1C(N)=O 2029779583 ZEVHZAIKEPVHIJ-UFBFGSQYSA-N 251.305 0.985 10 10 CCCE CN1CC[C@H](NCc2ccc(F)c(F)c2O)C1=O 700723401 ZNSRXIIOMWMNTO-VIFPVBQESA-N 256.252 0.991 10 10 CCCE Nc1ccc(NC(=O)CN2CC(N3CC(F)C3)C2)cc1 2159094226 OPSYBFXCDPFSPV-UHFFFAOYSA-N 278.331 0.545 10 10 CCCE CCNCc1ccc(N2C[C@@H](O)[C@@H](CO)C2)c(F)c1 316584076 RNOZSFGOUYNACW-BXUZGUMPSA-N 268.332 0.725 10 10 CCCE Nc1ccc(OCCC(=O)NC[C@@H]2CCC(=O)N2)cc1 79910541 FOMKHKDNUJGTTL-NSHDSACASA-N 277.324 0.433 10 10 CCCE O=C1CC[C@H](CNCc2cc3c(cc2O)OCO3)N1 79927037 UXPXECUBTTVNBE-SECBINFHSA-N 264.281 0.489 10 10 CCCE NC1(c2nnc(CN3C(=O)CSC3=S)o2)CC1 83517202 CZDULHLGNLIYFX-UHFFFAOYSA-N 270.339 0.378 10 10 CCCE CCNC(=O)[C@H]1CNCCN1Cc1ccc(O)cc1O 89088654 QHZQDQILIOOSGD-GFCCVEGCSA-N 279.340 0.008 10 10 CCCE C[C@@H](c1ccccc1O)N(C)C(=O)C[C@H](O)CN 703339224 WFYAMIUYXHAWGZ-UWVGGRQHSA-N 252.314 0.621 10 10 CCCE NC(=O)[C@@H]1C[C@@H](N)CN(c2ccc3c(c2)CCCO3)C1 2162660621 SGIAUXWTONYUPF-VXGBXAGGSA-N 275.352 0.651 10 10 CCCE NC(=O)C[C@H]1CCN(c2ccc([N+](=O)[O-])c(CO)c2)C1 690715877 RBYHEYBPLHSUBV-SECBINFHSA-N 279.296 0.789 10 10 CCCE Nc1ccc(NC(=O)NC2CS(=O)(=O)C2)cc1 379969632 KURFPGOWCDUOBG-UHFFFAOYSA-N 255.299 0.187 10 10 CCCE C[C@@H]1[C@H](O)CCCN1C(=O)c1cc(O)nc(O)c1 384771402 RUAUCSWCZRGSBN-VXNVDRBHSA-N 252.270 0.478 10 10 CCCE Cn1[nH]c(CNC(=O)c2cccc(O)c2O)cc1=O 392838710 MQAHVSDXJZFWAU-UHFFFAOYSA-N 263.253 0.055 10 10 CCCE CN[C@H](CNC(=O)c1cc(O)nc(O)c1)C(C)C 721632932 OOSPSXHHLIIELA-SECBINFHSA-N 253.302 0.467 10 10 CCCE COc1ccc([C@H](C)NC[C@H](C)S(N)(=O)=O)c(O)c1 398256067 ZLEDAZJGDKRZRL-IUCAKERBSA-N 288.369 0.728 10 10 CCCE C[C@H](NC[C@H]1CNC(=O)C1)c1ccc(O)cc1O 398343162 FIPBQYOTFZVKED-IUCAKERBSA-N 250.298 0.885 10 10 CCCE O=C([C@H]1CCN2CCOC[C@H]12)N1Cc2cccc(O)c2C1 2062856297 IEIQNAOSIFWQMA-GXTWGEPZSA-N 288.347 0.955 10 10 CCCE Cc1cc(O)n2ncc(C(=O)N3CCc4c[nH]nc4C3)c2n1 2063832427 PCJDQWOLLJQSIP-UHFFFAOYSA-N 298.306 0.665 10 10 CCCE COc1ccc(CNC[C@H]2[C@@H]3CS(=O)(=O)C[C@H]23)c(O)c1 2174614390 HVHWXLIOIFKZOD-XYYAHUGASA-N 297.376 0.781 10 10 CCCE COCc1cc(O)nc(=NCc2ccc(O)cc2O)[nH]1 2192814886 YLBRXRRSPLJBFS-UHFFFAOYSA-N 277.280 0.774 10 10 CCCE C[C@]12CN(C(=O)c3cc(O)c(O)c(O)c3)C[C@@]1(CN)C2 2188909065 IGWUZPZVYHKKFC-KBPBESRZSA-N 278.308 0.614 10 10 CCCE CC1(C)CNCC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2188921055 AOEAUNWQKSEWDE-LLVKDONJSA-N 280.324 0.921 10 10 CCCE C[C@H]1C[C@@H](CN)CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2188922328 GYZBFBZKRHTEDZ-IUCAKERBSA-N 280.324 0.860 10 10 CCCE COc1ccc(N(CCCN)C[C@@H]2CCNC2=O)cc1 2185174378 LQYDKSGJDIKBJW-LBPRGKRZSA-N 277.368 0.987 10 10 CCCE Nc1ccc(NC(=O)CN2C[C@@H]3CC[C@@]3(CO)C2)cc1 2198882126 RDTLDVFKLDTWKQ-NHYWBVRUSA-N 275.352 0.912 10 10 CCCE CN1C(=O)CO[C@@H]2CCN(c3ccc(CO)cc3)C[C@@H]21 2185572087 VCAZLSKRRAIXJM-UONOGXRCSA-N 276.336 0.615 10 10 CCCE COC(=O)c1cccc(N)c1N[C@@H]1CO[C@@H]2CNC[C@H]12 2191739587 YMIIITNGIYSJOU-YUSALJHKSA-N 277.324 0.454 10 10 CCCE C[C@@H]1CN[C@@H](C(=O)NCCc2ccc(O)c(O)c2)C1 2103020405 MLQUAPJVPLAJPB-GXSJLCMTSA-N 264.325 0.755 10 10 CCCE COc1cc(N(C)CCOCCO)ccc1CO 2084016762 LXCUIBKMWKRYRP-UHFFFAOYSA-N 255.314 0.633 10 10 CCCE CC1(C)CN[C@H](C(=O)NCc2ccccc2O)CO1 2109541688 KJSVPZFZVFWQRT-NSHDSACASA-N 264.325 0.775 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN1C(=O)[C@H]1Cc2nncn2C1 2111428894 WXYZEWXLELJWLH-DTWKUNHWSA-N 261.289 0.752 10 10 CCCE C[C@H]1[C@@H](NCCc2ccc(O)c(O)c2)CCS1(=O)=O 2091754414 LGPOWJIFZIDSBB-ONGXEEELSA-N 285.365 0.806 10 10 CCCE CCNCc1ccc(N2CC(C(=O)NC)C2)cc1OC 2204564095 JMVPPCXMRZJJBV-UHFFFAOYSA-N 277.368 0.987 10 10 CCCE Cc1cccc(CNC(=O)c2c(CN)nnn2C)c1O 2204625609 OZZCPYZYVBWMBJ-UHFFFAOYSA-N 275.312 0.218 10 10 CCCE O=C(NCCN1CCCO1)c1ccc(O)c(O)c1 2218690145 OONCCYLCUNDNIL-UHFFFAOYSA-N 252.270 0.465 10 10 CCCE CO[C@@H]1CN(Cc2cc(N)ccc2O)[C@H](CO)[C@H]1OC 2233349879 ATVKFXXSBUSURD-MRVWCRGKSA-N 282.340 0.181 10 10 CCCE O=C(NCC[C@H]1CC(F)(F)CN1)c1cc(O)nc(O)c1 2234599655 RORWHYQOHZZPSE-QMMMGPOBSA-N 287.266 0.610 10 10 CCCE COc1ccc(N(CCO)CCN(C)C)c(CN)c1 2227676753 DDKHUVMJQBBUFK-UHFFFAOYSA-N 267.373 0.514 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)[C@@]23CCCO[C@@H]2CNC3)C1 2228730767 OCOKVBUDUDCNMD-BGOOENEXSA-N 266.341 0.021 10 10 CCCE C[C@@]1(NCc2ccc(O)c(O)c2O)CCNC1=O 2260523854 HFIBMUGJFKZFMW-GFCCVEGCSA-N 252.270 0.172 10 10 CCCE C[C@@H](N)c1cc(F)c(N2CC[C@@H]2[C@H](O)CO)c(F)c1 2270692979 CNXBZHSESHLQHT-NZXMKCKXSA-N 272.295 0.916 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CCN(CCF)CC1 1148583789 BINGLPSLVPRUBP-UHFFFAOYSA-N 284.287 0.531 10 10 CCCE NCc1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CF)cc1F 2311999816 ZYVVIENSLDYRED-TUAOUCFPSA-N 258.268 0.164 10 10 CCCE CC[C@@H](O)c1ccc(N2CC([C@H](O)CO)C2)cc1 2315273429 XHWFONICGXWZPJ-ZIAGYGMSSA-N 251.326 0.919 10 10 CCCE Cc1cncc([C@](C)(NCCN=[N+]=[N-])C(=O)O)n1 2316032558 ZMUTXHCHYQCPCQ-JTQLQIEISA-N 250.262 0.985 10 10 CCCE COC(=O)[C@@H](NCCCN=[N+]=[N-])[C@H]1[C@@H]2COC[C@@H]21 2318773865 JEGMYXPPFNUBFQ-JLIMGVALSA-N 254.290 0.710 10 10 CCCE NCc1ccc(N2C[C@@H]3C[C@H]2[C@@H](O)[C@H]3O)c(F)c1F 2329332640 NFVRGRSWGDDNCG-MPZLTGKNSA-N 270.279 0.354 10 10 CCCE N[C@@H](CCN1CCc2cc(O)c(O)cc2C1)C(=O)O 2341209824 AGFLAZBYFXVAGW-JTQLQIEISA-N 266.297 0.258 10 10 CCCE COCCN1C[C@@H](O)[C@H](N2CCC[C@H](CN=[N+]=[N-])C2)C1 2354237376 ZMDMXCQJQOINCR-JHJVBQTASA-N 283.376 0.700 10 10 CCCE CCOCCN(CC)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 111124943 AFYIDYFNKBUMKM-LBPRGKRZSA-N 296.367 0.853 10 10 CCCE O=C1Nc2cc(N3C[C@H]4C[C@H]4[C@@H]3CO)c(F)cc2[C@H]1O 2357563781 YARPBWDLQGRUSG-LWSPUOQWSA-N 278.283 0.628 10 10 CCCE O=C(O)CCCS(=O)(=O)Nc1ccc(O)cc1 37047944 XJSFDHPSUYIBMU-UHFFFAOYSA-N 259.283 0.999 10 10 CCCE CN(C)c1ccc(/C=C\C(=O)N2C[C@H](O)CO2)cc1 311359600 OMELCUPCGDPOPR-UJZCVKTISA-N 262.309 0.901 10 10 CCCE COc1cccc(CN[C@H](C)C(=O)N2CCOCC2)c1O 134635742 DQWHCGVDHONIMD-LLVKDONJSA-N 294.351 0.738 10 10 CCCE COC(=O)N[C@H]1CCN(CC(=O)c2ccc(O)c(O)c2)C1 228297293 OPMKKJODDZCZTO-JTQLQIEISA-N 294.307 0.711 10 10 CCCE NCc1ccc(N2C[C@@H](O)[C@H](O)C2)c(Br)c1 236231342 DTGVFACZNWANIT-GHMZBOCLSA-N 287.157 0.450 10 10 CCCE CN1CCCc2cc(CNC(=O)CC(N)=O)ccc21 266810165 FQKYYNOQQMFFDY-UHFFFAOYSA-N 261.325 0.561 10 10 CCCE Nc1ccc(CCC(=O)NCC[C@H]2COC[C@H]2O)cc1 2167628093 YBIOLMLRGSQSDC-GXTWGEPZSA-N 278.352 0.715 10 10 CCCE CN(C)c1ccc([C@@H](N)[C@]2(O)CCCS(=O)(=O)C2)cc1 2163133200 KQBMCCCFBZYILS-KGLIPLIRSA-N 298.408 0.692 10 10 CCCE NC(=O)NC1CN(c2cc3c(cc2Cl)[C@H](N)C(=O)N3)C1 2163218292 XMYBKZWEMKZCLN-JTQLQIEISA-N 295.730 0.149 10 10 CCCE CCN[C@H](C)C[C@@H](C)NC(=O)c1cc(O)nc(O)c1 721635275 XGCGYGFODSDGFK-RKDXNWHRSA-N 267.329 0.999 10 10 CCCE Cc1ncc(CNS(=O)(=O)Cc2ccc(N)cc2)[nH]1 724674480 UYOLTBSMFGKOQO-UHFFFAOYSA-N 280.353 0.920 10 10 CCCE C[C@H](c1c(O)cccc1O)N1CCN(C(N)=O)CC1 722182253 RZDLKBNYPJGMLB-SECBINFHSA-N 265.313 0.855 10 10 CCCE C[C@@H](NC(=O)[C@@H]1CN(C)C(=O)N1)c1ccc(N(C)C)cc1 832436227 JMMOIQUFGGJBST-MFKMUULPSA-N 290.367 0.953 10 10 CCCE COCc1n[nH]c(CNC(=O)c2c(F)ccc(O)c2O)n1 857311479 VGAGBOYOOYDSCJ-UHFFFAOYSA-N 296.258 0.431 10 10 CCCE CN(C(=O)COc1ccc(N)cc1)[C@@H]1[C@@H]2CNC[C@@H]21 1876450280 ZKDUDWXTGZSZOO-DABQJJPHSA-N 261.325 0.324 10 10 CCCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(O)ncn1 1138152696 NLNUIDOVBVYFDB-MRVPVSSYSA-N 289.291 0.954 10 10 CCCE CO[C@H](CNC(=O)OC(C)(C)C)C(=O)NCCN=[N+]=[N-] 1882297896 KDUQMIGROWXEKB-MRVPVSSYSA-N 287.320 0.953 10 10 CCCE CCCNC(=O)[C@H](N)c1c(O)cc(OC)cc1OC 83497410 PRLTUFUQTDXOPQ-GFCCVEGCSA-N 268.313 0.935 10 10 CCCE N[C@H](c1ccc(O)c(O)c1)c1nnc(/C=C/C(=O)O)o1 83578783 AAKDEYWAOCJYPC-PGLGOXFNSA-N 277.236 0.627 10 10 CCCE COc1ccc2c(c1O)[C@H]([C@@H]1C[C@@H](O)CN1)NCC2 83708170 AGDGDNIRYCFWRW-NRUUGDAUSA-N 264.325 0.310 10 10 CCCE Nc1ccc(CCNS(=O)(=O)CC(F)F)cc1 703240477 HEZAZZQUBCSDDU-UHFFFAOYSA-N 264.297 0.996 10 10 CCCE C[C@@H]1CC(=O)NCCN1S(=O)(=O)Cc1ccc(N)cc1 707202454 BWJXRBLCRJSRRO-SNVBAGLBSA-N 297.380 0.309 10 10 CCCE COc1cc(N)c(N(C)Cc2nnnn2C)cc1OC 707380400 SHXCVUSNXPQNRX-UHFFFAOYSA-N 278.316 0.446 10 10 CCCE Cc1cc(N(C)C[C@@H](O)CN(C)C)ccc1CN 708528666 VCZOCAGFEQYYFR-AWEZNQCLSA-N 251.374 0.812 10 10 CCCE CN(C)C[C@@H](CO)NCc1cc2c(cc1O)OCO2 716753136 MUKVXXBWPAZXCA-JTQLQIEISA-N 268.313 0.133 10 10 CCCE CN(C)c1ccc(CNC(=O)c2cc(N)n(C)n2)cc1 725179106 FNHXKOXMEUVCLJ-UHFFFAOYSA-N 273.340 0.998 10 10 CCCE C[C@H](N)c1ccc(N2CCC(CO)(CO)C2)cc1 694712129 GQQYPXPROJOIBU-NSHDSACASA-N 250.342 0.887 10 10 CCCE Nc1ccc(OCCS(=O)(=O)NCCN2CCC2)cc1 697328540 BPFKTTZCCIGHIB-UHFFFAOYSA-N 299.396 0.273 10 10 CCCE CN(C(=O)CN1CCO[C@@H]2C[C@@H]21)c1ccc(N)cc1 2115221569 CYWMLSCKGNMUDZ-QWHCGFSZSA-N 261.325 0.705 10 10 CCCE N=c1[nH]c2c(c(=NCc3ccc(N)cc3)[nH]1)CCC2 2117264334 YOACVKKTTBBGCW-UHFFFAOYSA-N 255.325 0.994 10 10 CCCE CN=c1nc(C)[nH]c(=NCCc2ccc(N)cc2)[nH]1 2117373297 RAVFDPPNPJTCJL-UHFFFAOYSA-N 258.329 0.302 10 10 CCCE [N-]=[N+]=NCCN[C@H](C(N)=O)c1cnn(C(F)(F)F)c1 2118512313 PBOZWVHTZFIITI-LURJTMIESA-N 277.210 0.786 10 10 CCCE COc1cccc(O)c1CNCCc1cnnn1C 2123267979 ARDXOILSCKDNBZ-UHFFFAOYSA-N 262.313 0.862 10 10 CCCE COc1ccc(CNC(=O)CCc2nn[nH]n2)c(O)c1 1626080156 YLGKAVKNFPWIGH-UHFFFAOYSA-N 277.284 0.163 10 10 CCCE CN1N=C(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)CCC1=O 1912198230 DQGVRTAPOMSICF-MRVPVSSYSA-N 264.289 0.753 10 10 CCCE Cn1cc(C(=O)N2CC[C@H](N=[N+]=[N-])C2)n(C)c1=O 1912152973 CKKBQWMCAOKWTA-ZETCQYMHSA-N 250.262 0.249 10 10 CCCE COCCNC(=O)CN1CCN(c2ccc(N)cc2)CC1 19978057 PAGWFIHJOHWTQR-UHFFFAOYSA-N 292.383 0.153 10 10 CCCE COc1ccc(N(C)C(CO)CO)c(OC)c1C 258613516 CHAULPAUVXXACW-UHFFFAOYSA-N 255.314 0.802 10 10 CCCE CN(C[C@H](O)CN)c1ccc2c(c1)OCCCO2 258790387 BVAIOYLQCKCENA-LLVKDONJSA-N 252.314 0.604 10 10 CCCE N[C@H]1CC(C(=O)N2CCCc3ccncc32)=C[C@@H]1O 2131476174 QXBLARMSLMTLLJ-AAEUAGOBSA-N 259.309 0.379 10 10 CCCE CCOc1cccc(CN2C[C@@H](O)C[C@@H]2CN)c1O 2131041005 RQMLXFXWWPEUOC-NEPJUHHUSA-N 266.341 0.685 10 10 CCCE CN1CC[C@H](CN2CCc3cc(CN)ccc32)C1=O 2133393013 BBVBXRQWAMWFHC-CYBMUJFWSA-N 259.353 0.986 10 10 CCCE CNC(=O)[C@H](C)N(C)C(=O)[C@H]1CNc2ccccc2N1 1916780315 NRYUVRNVDAEGGS-JOYOIKCWSA-N 276.340 0.486 10 10 CCCE N[C@H]1COCC[C@@]1(Sc1nccs1)C(=O)O 1904752167 FZQAESCOPYPGJQ-RCOVLWMOSA-N 260.340 0.806 10 10 CCCE CS(=O)(=O)C1(CNCc2ccc(N)cc2)CC1 1944075646 ULTFQMSKSVEJGL-UHFFFAOYSA-N 254.355 0.936 10 10 CCCE CCCN[C@@H](c1ccccc1O)[C@H](O)c1nnn(C)n1 2148166424 XBTHPKDONDARCT-RYUDHWBXSA-N 277.328 0.690 10 10 CCCE CC1(C)C[C@H](NC(=O)Cc2ccc(O)c(O)c2)CN1 1972679514 JLSJLYUJBWFVHE-JTQLQIEISA-N 264.325 0.897 10 10 CCCE CC(=O)N1CCN(c2ccc3c(c2)NC(=O)[C@H]3N)CC1 36193940 CDLPRGWFURMXTO-ZDUSSCGKSA-N 274.324 0.307 10 10 CCCE CN1CC2CC1(CNS(=O)(=O)Cc1ccc(N)cc1)C2 2152106149 PHLURWACYYKISY-UHFFFAOYSA-N 295.408 0.782 10 10 CCCE COc1cccc(CN2CCO[C@@H]3[C@H](C(=O)O)[C@H]32)c1O 2149292583 UKYQWMHIJYEHIS-NQBHXWOUSA-N 279.292 0.685 10 10 CCCE CC(=O)c1ccc(O)c(CN2C[C@H](O)[C@@H](N(C)C)C2)c1 2146136798 FXXXKGBWZMZMRA-ZFWWWQNUSA-N 278.352 0.702 10 10 CCCE NCc1cc(F)c(N2C[C@]3(CO)C[C@]3(CO)C2)c(F)c1 2146314622 USPZAHSJGTVLLW-OKILXGFUSA-N 284.306 0.605 10 10 CCCE Nc1ccc(CCC(=O)N2C[C@@H]3OCCO[C@H]3C2)cc1 2149773380 WMEBPFVKTDHVLO-KBPBESRZSA-N 276.336 0.828 10 10 CCCE Nc1ccc(OCCN2CCC([C@H](O)CO)CC2)cc1 2152465682 ZFKINHOIZGOQCF-OAHLLOKOSA-N 280.368 0.713 10 10 CCCE Cc1cc(CO)ccc1N1CCOC[C@H]1C(=O)N(C)C 2155016896 LJZXNWSEKDKKTB-AWEZNQCLSA-N 278.352 0.781 10 10 CCCE C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 2160292014 NTUBZTPWDYKXHK-MIMYLULJSA-N 282.315 0.927 10 10 CCCE CN(Cc1ncno1)c1cc2c(cc1F)[C@H](O)C(=O)N2 2160399174 LDCFHGIHFVDOQS-NSHDSACASA-N 278.243 0.831 10 10 CCCE N[C@@H]1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 50244077 ZCTJORKUACCGCZ-SSDOTTSWSA-N 278.268 0.463 10 10 CCCE C[C@@](CO)(NC(=O)c1ccc(O)c(O)c1)C1CC1 2029958385 AUBOVTDLDVLVHA-ZDUSSCGKSA-N 251.282 0.989 10 10 CCCE C[C@@H]1CCN(C[C@H](O)COc2ccc(N)cc2)C[C@@H]1O 299958342 UVWGGAVKQZJXFR-ZLDLUXBVSA-N 280.368 0.711 10 10 CCCE CO[C@@H]1C[C@@](NCCCN=[N+]=[N-])(C(N)=O)C1(C)C 2038771137 JUKUBMLNIRXOME-LDYMZIIASA-N 255.322 0.945 10 10 CCCE COCCNC(=O)CCNCc1ccc2c(c1)CCO2 67220921 DRAVTZLFLWTYCE-UHFFFAOYSA-N 278.352 0.864 10 10 CCCE CC[C@H]1CN(C(=O)c2cc(O)nc(O)c2)C[C@H]1O 400452319 NUFFPLZRQMSOET-IONNQARKSA-N 252.270 0.336 10 10 CCCE Cn1cncc1CN(CC(N)=O)Cc1ccc(N)cc1 401724220 CAMPQXZPQYIIPM-UHFFFAOYSA-N 273.340 0.490 10 10 CCCE Oc1ccc(CNC[C@@H]2CO[C@@H]3COC[C@@H]32)c(O)c1O 2158034002 NEWHBWIMENNBQE-CKYFFXLPSA-N 281.308 0.554 10 10 CCCE CNCc1ccc(N2CCC(O)(CO)CC2)cc1 313751092 QNFWTOGRXGAFGK-UHFFFAOYSA-N 250.342 0.730 10 10 CCCE O=C(CN1CC(N2CC(F)C2)C1)c1ccc(O)c(O)c1 2159099259 JQWOHKZBEWTUMV-UHFFFAOYSA-N 280.299 0.618 10 10 CCCE O=c1c2c(ccn1CC1(CO)CCOCC1)CCNC2 2161327679 LSYSAXSSOSCTPK-UHFFFAOYSA-N 278.352 0.283 10 10 CCCE Nc1ccc(NC(=O)N2C[C@H]3C[C@@H](O)[C@@H](O)[C@H]2C3)cc1 2173370548 HFUWIQUFRAEQGR-STRQVWJDSA-N 277.324 0.617 10 10 CCCE NC(=O)N[C@H]1CCCN(C(=O)Nc2ccc(N)cc2)C1 702202963 ZNUZJMFKOLBPMO-NSHDSACASA-N 277.328 0.933 10 10 CCCE CN(Cc1ncno1)c1cc2c(cc1N)OCC(=O)N2 706708770 JVMZHNWZGILUGQ-UHFFFAOYSA-N 275.268 0.619 10 10 CCCE CCOc1nc(=N)[nH]c(=NCCc2ccc(N)cc2)[nH]1 2174020898 GVOMRYKFKRSZHH-UHFFFAOYSA-N 274.328 0.342 10 10 CCCE C[C@H]1CS(=O)(=O)C[C@@H]1NCc1cccc(O)c1O 711653562 IFESOYHJDBDLJF-WPRPVWTQSA-N 271.338 0.621 10 10 CCCE Nc1ccc(OCC(=O)NCCc2cn[nH]c2)cc1 379738139 UNWAKWPLNQZXSZ-UHFFFAOYSA-N 260.297 0.730 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@@H]3O 380199513 DTGKHAZPIXOBKB-JOFHGJPESA-N 276.292 0.334 10 10 CCCE C[C@H](COCC(=O)O)NC(=O)Cc1ccc(O)c(O)c1 2174125787 JJGUXLVQKHBLQU-MRVPVSSYSA-N 283.280 0.246 10 10 CCCE C[C@H]1[C@H](O)CCCN1c1cc2c(cc1N)OCC(=O)N2 384814479 CXCUUKUZJPSIJK-QPUJVOFHSA-N 277.324 0.949 10 10 CCCE NC[C@@H]1CCCCN(C(=O)c2cc(O)nc(O)c2)C1 388424202 PWLVWKVZXRGVPL-VIFPVBQESA-N 265.313 0.694 10 10 CCCE CCNCc1ccc(N2C[C@@H](O)C[C@H]2CO)c(F)c1 698177510 CDDTXQGQBLULRU-RYUDHWBXSA-N 268.332 0.867 10 10 CCCE CCS(=O)(=O)NCCNCc1ccc(O)c(O)c1 390210712 XTYUSDZKXIQUSU-UHFFFAOYSA-N 274.342 0.127 10 10 CCCE C[C@@H](NC[C@H]1CN2CCN1CC2)c1c(O)cccc1O 394687683 HXEARWLEVVBWLI-NEPJUHHUSA-N 277.368 0.748 10 10 CCCE C[C@H]1CSC[C@H]1NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 397996300 QLFBBRFNGCWAME-INTQDDNPSA-N 296.392 0.835 10 10 CCCE Cc1cc(O)n2ncc(C(=O)N3CCC[C@H](O)C3)c2n1 2062167008 XOLGDTWIBLTTFV-VIFPVBQESA-N 276.296 0.340 10 10 CCCE COc1ccc(CNCC2CN(CC(=O)O)C2)c(O)c1 2169327884 RXYRQPPZBJDVAA-UHFFFAOYSA-N 280.324 0.507 10 10 CCCE Cc1nnc2n1CCN(C(=O)c1cccc(O)c1O)C2 790654125 CWYQYIJXPNPQOR-UHFFFAOYSA-N 274.280 0.654 10 10 CCCE CC1(C)[C@H](O)[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]21 2178150853 IOCDGFSBFPSAKG-XXILOJSOSA-N 278.308 0.724 10 10 CCCE C[C@]1(NCc2ccc(F)c(F)c2O)CCC(=O)NC1=O 2172846264 MILAMGGUWQXFTB-ZDUSSCGKSA-N 284.262 0.955 10 10 CCCE CN(c1ccc2c(c1)NC(=O)[C@@H]2N)[C@@H]1CCC(=O)NC1 2183443702 VOVUCBLHUUOYBI-NOZJJQNGSA-N 274.324 0.353 10 10 CCCE OCc1cc(F)c(N2[C@H]3CC[C@H]2[C@H](O)[C@@H](O)C3)c(F)c1 2190454537 SWNUJMKXDQDXPX-FNYBSCSFSA-N 285.290 0.920 10 10 CCCE NC(=O)CN1CCN(c2ccc3c(c2)CC[C@H]3O)CC1 2184738234 RAJMJLWIWRMVRI-CQSZACIVSA-N 275.352 0.274 10 10 CCCE NC[C@H]1C[C@H](NC(=O)COc2ccc(N)cc2)CCO1 2191683795 ZDQIDFCOJWMQBA-DGCLKSJQSA-N 279.340 0.270 10 10 CCCE Nc1ccc(OCCC(=O)N[C@@]23CC[C@@H]2CNC3)cc1 2191681965 DRDYKAUBBBMOOD-IAQYHMDHSA-N 275.352 0.906 10 10 CCCE NCc1c[nH]c(C2=S=Nc3ccccc32)nc1=O 2041916481 KZRHGYKOGRKVGH-UHFFFAOYSA-N 258.306 0.709 10 10 CCCE Oc1cccc(F)c1CN1CCO[C@@H]2CNC[C@H]21 2042638835 QTNIYJNVQWPBTF-DGCLKSJQSA-N 252.289 0.704 10 10 CCCE C[C@H]1NCC[C@H]1NS(=O)(=O)CCOc1ccc(N)cc1 2191705020 ZJMRYTUNLBTWKH-ZWNOBZJWSA-N 299.396 0.317 10 10 CCCE C[C@H](c1cc(F)ccc1O)N1CC(N)(C(N)=O)C1 2047100705 NFCUIXHWQGOFSU-SSDOTTSWSA-N 253.277 0.091 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN1[C@@H]1CN(C2CC2)C[C@H]1O 2059051651 PVHCUUQRLBSHCL-IJLUTSLNSA-N 251.334 0.969 10 10 CCCE Nc1ccc(OCCC(=O)NCC2(O)CC2)cc1 2066913508 DPQAKSNEMCBRIV-UHFFFAOYSA-N 250.298 0.679 10 10 CCCE CO[C@@H]1C[C@H](C(=O)O)N(Cc2ccc(N)cc2)C1 2076956460 VTPWNSJCCSYCQE-VXGBXAGGSA-N 250.298 0.943 10 10 CCCE O=C1CC[C@@H](CNCc2ccc(O)c(O)c2O)CN1 2103185785 DYQYEMQXBVLHGR-QMMMGPOBSA-N 266.297 0.419 10 10 CCCE COc1cc(N2CC([C@H](F)CO)C2)ccc1CN 2084011927 IYVWAPURFLBIMS-GFCCVEGCSA-N 254.305 0.921 10 10 CCCE COc1cccc(O)c1CN[C@H]1COC[C@@H]1N(C)C 2104435246 ZTQFYCWPDHWQAY-RYUDHWBXSA-N 266.341 0.819 10 10 CCCE NC(=O)CN(CCC1COC1)Cc1ccc(N)cc1 2104663962 UQESVEMLDZMCBH-UHFFFAOYSA-N 263.341 0.593 10 10 CCCE CCN(C(=O)CCn1cnnn1)c1ccc(N)cc1 2090277121 CBVVGMKLFXFAPD-UHFFFAOYSA-N 260.301 0.699 10 10 CCCE COc1cc(Cl)cc(CN[C@H]2CN(C)C[C@@H]2O)c1O 2090333805 LVDUSUZJAVNEHC-QWRGUYRKSA-N 286.759 0.819 10 10 CCCE CN(C)c1ccc([C@@H](O)[C@H](N)c2cnn(C)n2)cc1 2092001770 GZDAHFXIDUGFDJ-CHWSQXEVSA-N 261.329 0.615 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NC[C@@]12CNC[C@H]1C2 2092520866 HDXSFDJCRVRREN-QMTHXVAHSA-N 262.309 0.366 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3C[C@H](O)[C@H](F)C3)cc21 2092828014 BNMAMLHBDSRUAB-ADEWGFFLSA-N 265.288 0.182 10 10 CCCE O=C(c1cccc(O)c1O)N1CC[C@H]2[C@H](C1)[C@@H]2CO 2093146273 RHKPUDKXWMQXMV-INTQDDNPSA-N 263.293 0.798 10 10 CCCE N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1 2094905829 CJXNDDGYFMPKOV-ILWJIGKKSA-N 263.297 0.587 10 10 CCCE C[C@H](c1ccc(F)cc1O)N(C)[C@H]1CC(=O)NC1=O 2114732629 OFKCBOFTPCGPOR-XCBNKYQSSA-N 266.272 0.939 10 10 CCCE CN(C(=O)CN1C[C@H](O)C12CCC2)c1ccc(N)cc1 2201412591 LSUWZLOFRHBPRR-ZDUSSCGKSA-N 275.352 0.831 10 10 CCCE COc1cc(N2CCNC(=O)C(F)(F)C2)ccc1CO 2204553765 MNFDUGJCXSJOFQ-UHFFFAOYSA-N 286.278 0.759 10 10 CCCE Cc1cccc(CNS(=O)(=O)[C@H](C(=O)O)C2CC2)c1O 2204611473 WCGUCIQLGJQTGU-LBPRGKRZSA-N 299.348 0.983 10 10 CCCE C[C@H](N)c1cc(F)c(N2C[C@H](O)[C@@H](O)[C@@H]2CF)c(F)c1 2205611623 MHBHCGHDUBLHIW-HFHOALDZSA-N 290.285 0.864 10 10 CCCE COC(=O)C1(O)CN(c2ccc(OC)cc2C)C1 2219568733 BVIXOJYJAGZIPM-UHFFFAOYSA-N 251.282 0.728 10 10 CCCE COc1ccc(N2C[C@H](OC)[C@H](OC)[C@H]2CO)c(N)c1 2233349721 AOYBCZCCLLRQMZ-HZSPNIEDSA-N 282.340 0.488 10 10 CCCE CNCc1cc(OC)ccc1N1C[C@@H](CO)C[C@H]1CO 2235972460 MQAYEKQQJLGHKZ-AAEUAGOBSA-N 280.368 0.594 10 10 CCCE COc1ccc(N2C[C@H](O)[C@@H](O)C2(C)C)c(CO)c1 2227710031 ASUFMTGVDFTBNL-QWHCGFSZSA-N 267.325 0.508 10 10 CCCE CO[C@@H](CS(=O)(=O)CCN=[N+]=[N-])[C@@H]1CCOC1 2251771171 PWVALUDIWVIWQO-BDAKNGLRSA-N 263.319 0.763 10 10 CCCE Cc1cc(N2C[C@H](O)[C@@H](CO)C2)ccc1[C@H](C)N 2257458845 PFTJLJDFGRRLJW-WDMOLILDSA-N 250.342 0.804 10 10 CCCE C[C@H](O)c1ccc(N2C[C@@H]3[C@H](C2)CS3(=O)=O)cc1 2314775235 ITHKXOWFMXISLG-UFGOTCBOSA-N 267.350 0.973 10 10 CCCE Nc1ccc(CCCN2C[C@@H](O)[C@@H]3COC[C@@H]32)cc1 2329201899 FANYUOZRFWKHAB-QLFBSQMISA-N 262.353 0.893 10 10 CCCE C[C@@H](NC(=O)[C@@H]1OCC[C@@H]1CN)c1ccccc1O 2332173014 OBTJNXHWBIMKEY-GIPNMCIBSA-N 264.325 0.933 10 10 CCCE Cc1cc([C@H](C)N)ccc1N1C[C@@H](O)[C@@H](O)[C@H]1CF 2333977251 FVIIMJNUDJBVRY-VKKKGTNTSA-N 268.332 0.895 10 10 CCCE CO[C@H]1C[C@@H](CO)N(c2ccc(CN)cc2F)C1 311121007 OQLIQFNHLSIUMQ-QWRGUYRKSA-N 254.305 0.870 10 10 CCCE Nc1ccc(NC(=O)N2[C@H]3CC[C@@H]2C[C@@H](O)[C@@H]3O)cc1 2357052644 LYXSDMSGVFEQQQ-YVECIDJPSA-N 277.324 0.759 10 10 CCCE CC[S@@](=O)CCNC(=O)[C@H]1CNc2ccccc2N1 229885175 HJPSIAHHCGOLBO-CWTRNNRKSA-N 281.381 0.777 10 10 CCCE C[C@@H](NCCOCC(N)=O)c1c(O)cccc1O 230056934 GOMTZSPKEOXZEL-MRVPVSSYSA-N 254.286 0.250 10 10 CCCE C[C@@H](c1cc(O)ccc1O)N1CCNC(=O)[C@H]1CC(=O)O 252661072 LCRTVJOWVHNNFD-GZMMTYOYSA-N 294.307 0.434 10 10 CCCE CN(Cc1ccc(N)cc1)C(=O)[C@H]1OCC[C@@H]1C(=O)O 2162715372 OIZOUEXRJYTOCI-RYUDHWBXSA-N 278.308 0.717 10 10 CCCE Nc1ccc(CCC(=O)N2CCCN(C=O)CC2)cc1 2163050721 MKYGQAOADUDPCG-UHFFFAOYSA-N 275.352 0.892 10 10 CCCE CN[C@H](CNC(=O)c1cc(O)nc(O)c1)C(C)(C)C 721633342 RCVCYIAQOCOBHM-SECBINFHSA-N 267.329 0.857 10 10 CCCE COC[C@](C)(O)CCNC(=O)c1c(F)ccc(O)c1O 833448920 NZFRAWOBPMSKEY-CYBMUJFWSA-N 287.287 0.754 10 10 CCCE O=C(NCc1c(O)cccc1F)[C@H](O)C1CCOCC1 928705298 IZUACLIPDNJXTB-CYBMUJFWSA-N 283.299 0.935 10 10 CCCE CN(CCN1C(=O)CN(C)C1=O)Cc1ccccc1O 851841119 NGAPLGHMUCLJEK-UHFFFAOYSA-N 277.324 0.718 10 10 CCCE COC(=O)[C@H]1CCCN1C(=O)c1cc(O)c(O)c(O)c1 170190788 FPAOYPAZBSWCHX-MRVPVSSYSA-N 281.264 0.581 10 10 CCCE Nc1ccc(OCCC(=O)NC[C@H](N)C2CC2)cc1 1876519990 CZIWLOHIVZICBA-ZDUSSCGKSA-N 263.341 0.891 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CCCC23CNC3)cc1 1876542422 PBNLCRHBLDDEGX-UHFFFAOYSA-N 281.381 0.536 10 10 CCCE CO[C@H]1C[C@@](CO)(NC(=O)c2ccc(O)c(O)c2)C1 1898190797 GNJJGTOPMKQLQZ-SWZMTVOYSA-N 267.281 0.368 10 10 CCCE CO[C@H](C(=O)NCc1cc(O)ccc1O)c1cnn(C)c1 1153886175 ZFFJICAEFOFGGB-ZDUSSCGKSA-N 291.307 0.835 10 10 CCCE CCOc1cccc(CN[C@H](CC(=O)O)C(=O)O)c1O 75436198 NAAJFYRWQIVZSF-SECBINFHSA-N 283.280 0.808 10 10 CCCE COc1ccc(N2CCN[C@@H](CO)C2)c(OC)c1 84590219 GKBLUBLOHGXSMU-SNVBAGLBSA-N 252.314 0.474 10 10 CCCE Nc1ccc(OCC(=O)N2CCSC[C@@H]2CCO)cc1 708346943 OQGRYWHPSPFKAD-LBPRGKRZSA-N 296.392 0.974 10 10 CCCE Nc1ccc(NC(=O)CCCN2C(=O)COC2=O)cc1 709069108 PKLIYOFOCPXJQV-UHFFFAOYSA-N 277.280 0.966 10 10 CCCE C[C@H](CO)CN(C)C[C@H](O)COc1ccc(N)cc1 688369029 AJIUFENDXPQSSY-AAEUAGOBSA-N 268.357 0.569 10 10 CCCE CCN(CC(=O)NC)c1ccc(CNCCOC)cc1 62737290 HJHJFSGEAWFVNH-UHFFFAOYSA-N 279.384 0.995 10 10 CCCE C[C@H]1CS(=O)(=O)C[C@H]1NCc1ccc(O)c(O)c1O 711663071 OPUMWLIJFVTKEK-IONNQARKSA-N 287.337 0.326 10 10 CCCE Nc1ccc(OCCN2C[C@@H](O)C[C@H]2CO)cc1 698215255 PNUUXZITNSFBNC-RYUDHWBXSA-N 252.314 0.075 10 10 CCCE Nc1ccc(CC(=O)N2CCO[C@@H](CCO)C2)cc1 2116230862 URBINGLWYUXUIS-ZDUSSCGKSA-N 264.325 0.421 10 10 CCCE CCN1C(=O)C(=CNN2CCN(C)CC2)SC1=S 2295480588 VYBKLFHWEUFKHM-UHFFFAOYSA-N 286.426 0.460 10 10 CCCE [N-]=[N+]=NC[C@H]1CCN(C(=O)[C@@H]2[C@@H]3CS(=O)(=O)C[C@@H]32)C1 2117935993 LGUHBWNVSDKVHV-DOLQZWNJSA-N 284.341 0.436 10 10 CCCE COc1cnc(C(=O)NCc2c(O)cccc2O)nc1 1456323471 SGDSMMMWVMKWBH-UHFFFAOYSA-N 275.264 0.826 10 10 CCCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cn1nccc1N 1611431263 LQQXPTIXGXYLKT-SECBINFHSA-N 290.323 0.624 10 10 CCCE Cc1cc(N2C[C@@H]3OC[C@@H](CO)[C@@H]3C2)ccc1CN 2121595500 WRAXLOMEBWCSGQ-SNPRPXQTSA-N 262.353 0.897 10 10 CCCE CS(=O)(=O)[C@@H]1CCN(C(=O)Nc2ccc(N)cc2)C1 2123328723 FDUBCCAUSOTRRH-LLVKDONJSA-N 283.353 0.920 10 10 CCCE COC(=O)CCCNC(=O)CN1CC[C@@H](CN=[N+]=[N-])C1 1912197000 ZUOMHCOAGSMHAC-JTQLQIEISA-N 283.332 0.688 10 10 CCCE CSCC[C@@H](NC(N)=O)C(=O)N1CC(N=[N+]=[N-])C1 1912158881 AIXMCDPEFJKNCD-SSDOTTSWSA-N 272.334 0.298 10 10 CCCE C[C@@H]1C[C@H](C(=O)NCCc2ccc(O)c(O)c2)N1 1912830924 RGGBSZCTDVFWRM-PSASIEDQSA-N 250.298 0.507 10 10 CCCE C[C@@H](NC(N)=O)C(=O)N1CCCC[C@H](CN=[N+]=[N-])C1 1912211605 YMEUJMIYXSWYGO-RKDXNWHRSA-N 268.321 0.982 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CC12CNC2 1914757897 HCQIKXKUJFPTFP-JTQLQIEISA-N 262.309 0.366 10 10 CCCE CN(c1ccc2c(c1)CC[C@H]2O)[C@H]1CC(=O)NC1=O 2128318355 UUHMUZFSJZWJHS-NWDGAFQWSA-N 260.293 0.518 10 10 CCCE N[C@H]1CCc2cc(N3CCCC3(CO)CO)ccc21 2128327927 KCSHQYDQZOOOGW-AWEZNQCLSA-N 262.353 0.956 10 10 CCCE C[S@](=O)CCNC(=O)CCOc1ccc(N)cc1 157743468 XTWKAQBDTIXKAX-GOSISDBHSA-N 270.354 0.532 10 10 CCCE C[C@]1(CO)CCN(C(=O)c2cc(O)c(O)c(O)c2)C1 2132348676 QIZOGTBBVDLHIA-ZDUSSCGKSA-N 267.281 0.648 10 10 CCCE C[C@H](F)[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)O 2133548102 AKQLCJQTCVVTGO-UPONEAKYSA-N 271.244 0.568 10 10 CCCE CCN(c1ccc2c(c1)N(C)C(=O)[C@H]2N)C1COC1 1915658538 ZKNOGDURDRBTCO-ZDUSSCGKSA-N 261.325 0.888 10 10 CCCE CNC(=O)[C@H](C)N(C)c1ccc([C@@H](C)N)c(O)c1 1916816495 RNFAYQBQMSDWID-BDAKNGLRSA-N 251.330 0.983 10 10 CCCE CC1(NC(=O)c2cccc(O)c2O)CS(=O)(=O)C1 1918418022 ZCPILPJWESCSSX-UHFFFAOYSA-N 271.294 0.015 10 10 CCCE CO[C@H]1C[C@H](C(=O)O)N(Cc2ccc(O)cc2O)C1 2136360329 RQENMFZZMWZHQG-WDEREUQCSA-N 267.281 0.772 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@]2(CCN2)C1 1923023341 DNPNBEXQKQGDOY-CQSZACIVSA-N 262.309 0.605 10 10 CCCE Cc1cccc(CNS(=O)(=O)c2cccnn2)c1O 2139750811 MKHKUMRFTRELQU-UHFFFAOYSA-N 279.321 0.969 10 10 CCCE NN[C@@H](c1ccccc1O)[C@@H]1CCCS1(=O)=O 1942401123 PDAGPNQYARJFNN-QWRGUYRKSA-N 256.327 0.474 10 10 CCCE Cc1cn(CCNC(=O)CCc2ccc(N)cc2)nn1 2150694679 CLYRTXAWFWFGIQ-UHFFFAOYSA-N 273.340 0.918 10 10 CCCE Nc1ccc(CC(=O)NC2(C(=O)O)CCOCC2)cc1 131854446 BKTHKYRNKWKWIG-UHFFFAOYSA-N 278.308 0.561 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC[C@H]2CC[C@]21C(=O)O 2146651424 VVLWITFFPGHYSE-AMIZOPFISA-N 278.264 0.572 10 10 CCCE [N-]=[N+]=N[C@@H]1CCN(S(=O)(=O)C[C@@H]2CCC2=O)C1 2008734395 RKMGLPVLXYTRST-JGVFFNPUSA-N 258.303 0.680 10 10 CCCE COc1ccc(N2CCCC2(CO)CO)c(N)c1 2029382736 ARZUGCZWDBMWCF-UHFFFAOYSA-N 252.314 0.601 10 10 CCCE NN[C@H](COC[C@H]1CCOC1)c1ccccc1O 2029551264 VJUANPRJQSJHRI-CMPLNLGQSA-N 252.314 0.950 10 10 CCCE C[C@H](C=CC(=O)O)NC(=O)c1cccc(O)c1O 2030393716 UWBNVTVKIXTQJO-SSDOTTSWSA-N 251.238 0.857 10 10 CCCE CN(CCC(=O)NC(N)=O)Cc1ccc(N)cc1 2031615985 OCOTTXKUDLCVGB-UHFFFAOYSA-N 250.302 0.286 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CC[C@H]3CO)c(Cl)cc21 2031691249 LCZKIIONJKAJTK-KGFZYKRKSA-N 267.716 0.863 10 10 CCCE OCc1ccc(N2C[C@@H]3OCCO[C@@H]3C2)c(F)c1 2032411624 IBQGBMQXFTULSL-BETUJISGSA-N 253.273 0.922 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3CC(CO)(OC)C3)ccc21 2157303782 MINPIEMCYCQZFV-LBPRGKRZSA-N 277.324 0.097 10 10 CCCE Nc1ccc(OCC(=O)NC[C@@H]2C[C@H](CO)CO2)cc1 2157527343 BYXAAUUFVRFJIZ-MFKMUULPSA-N 280.324 0.161 10 10 CCCE C[C@@H](C(=O)N1CCC[C@@H](N=[N+]=[N-])C1)S(C)(=O)=O 403699238 IHQGMKADDRLBGX-JGVFFNPUSA-N 260.319 0.721 10 10 CCCE N[C@H]1C[C@H](NC(=O)c2cc(O)nc(O)c2)C12CCC2 404572691 CYJBTIDIYFYQPJ-IUCAKERBSA-N 263.297 0.493 10 10 CCCE COC(=O)[C@@]1(NCCN=[N+]=[N-])CCOC[C@H]1OC 310759885 AQMHJWGQOHCHIA-PSASIEDQSA-N 258.278 0.233 10 10 CCCE CNCc1ccc(N2CC[C@@](O)(CO)C2)cc1C 314008327 PYOCCECORPQNSP-AWEZNQCLSA-N 250.342 0.648 10 10 CCCE O=[N+]([O-])c1cc(CO)ccc1N1CC(N2CC(F)C2)C1 2159013429 BWSDDNAQJYTQLE-UHFFFAOYSA-N 281.287 0.929 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3C[C@H]4C[C@H]3CS4(=O)=O)ccc21 321680009 WGBNHTJJRNFGMG-YGOYTEALSA-N 293.348 0.014 10 10 CCCE Nc1ccc(OCCS(=O)(=O)N2C[C@@H]3C[C@H]3C2)cc1 379522761 PIEPKTNZMLUPIL-QWRGUYRKSA-N 282.365 0.929 10 10 CCCE CN(C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(CN)cc1 690817368 IGWQESAMJRBAMP-ZDUSSCGKSA-N 297.424 0.863 10 10 CCCE CC(=O)C(=O)COC(=O)CCNC(=O)OC(C)(C)C 808496883 BCIZREUXCPIUBQ-UHFFFAOYSA-N 273.285 0.603 10 10 CCCE CCCC1(O)CN(C[C@@H](O)COc2ccc(N)cc2)C1 395181896 OATILVNXBWGKSK-CYBMUJFWSA-N 280.368 0.855 10 10 CCCE C[C@H](C(=O)Nc1ccc(O)c(O)c1)N1CCOCC1 2064018646 KKCXWLBQXRXDFY-SECBINFHSA-N 266.297 0.757 10 10 CCCE O=C(NC1C[C@@H]2C(C(=O)O)[C@H]2C1)c1ccc(O)c(O)c1 2169233568 CGZQNCDLBQNBRG-ZTLSTVPPSA-N 277.276 0.937 10 10 CCCE O=C1Nc2cc(N3CC=C(CO)CC3)c(F)cc2[C@@H]1O 2171015878 LCNCZWZEELCOIW-ZDUSSCGKSA-N 278.283 0.940 10 10 CCCE CO[C@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)C[C@@H]1OC 2188868500 SAVFQLVMCYNJEW-QWRGUYRKSA-N 283.280 0.289 10 10 CCCE O=C(c1cc(O)c(O)c(O)c1)N1CCS[C@@H](CCO)C1 2188867925 JCIHQHCBRBWEIH-VIFPVBQESA-N 299.348 0.743 10 10 CCCE O=C(NC[C@H]1C[C@H](O)CCO1)c1cc(O)c(O)c(O)c1 2188867687 FJDLQSJYRJGWQY-RKDXNWHRSA-N 283.280 0.073 10 10 CCCE N[C@H]1CCc2cc(N3CC[C@H](N4CC(O)C4)C3)ccc21 2184735787 KYHKOHOBJXSRKF-BBRMVZONSA-N 273.380 0.888 10 10 CCCE COc1ccc(N2CCNC[C@@H]2C(=O)O)cc1F 2044288073 BMHQGUHSOUTNDF-SNVBAGLBSA-N 254.261 0.697 10 10 CCCE CN(Cc1ccc(N)cc1)C[C@@H](O)CCC(=O)O 2044376195 TUORLAGDBCRVLW-LBPRGKRZSA-N 252.314 0.926 10 10 CCCE C[C@H](c1c(O)cccc1O)N1C[C@@H](N)C[C@@H](O)C1 2049119892 IZVVVXSIKIREIH-KXUCPTDWSA-N 252.314 0.553 10 10 CCCE CN(C[C@@]1(O)CCOC1)C(=O)Cc1ccc(O)c(O)c1 2185961680 YJERGDXYMIAJPL-AWEZNQCLSA-N 281.308 0.250 10 10 CCCE Nc1ccc(NC(=O)N(CCO)C[C@@H]2CCCN2)cc1 2191528827 JURGEWDLFJMRFT-ZDUSSCGKSA-N 278.356 0.847 10 10 CCCE Nc1ccc(OCCS(=O)(=O)NCCC2(N)CC2)cc1 2191621218 KEBOUOHSMDUXDM-UHFFFAOYSA-N 299.396 0.448 10 10 CCCE CC1([C@@H](NCCCN=[N+]=[N-])C(N)=O)CCOCC1 2053672387 AEGISMJKAJWBAG-VIFPVBQESA-N 255.322 0.947 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC3(CC(CO)C3)C2)cc1 2186543363 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CN1CCc2cc([C@@H](NN)c3cn(C)nn3)ccc21 2106861024 HDMADKMKBGPTIX-CYBMUJFWSA-N 258.329 0.360 10 10 CCCE CO[C@H]1CC(NCCCN=[N+]=[N-])(C(N)=O)C[C@@H]1OC 2109826575 LRFSICKQJRYXJH-IUCAKERBSA-N 271.321 0.324 10 10 CCCE CNCc1ccc(N2CCNC(=O)C(F)(F)C2)cc1 2090585327 ZBRDCMPHTCLLCL-UHFFFAOYSA-N 269.295 0.978 10 10 CCCE Nc1ccc(CCC(=O)N2C[C@@H]3C(CO)[C@H]3C2)cc1 2090736854 LWEHAZYRMQBKAR-STQMWFEESA-N 260.337 0.898 10 10 CCCE CN1C[C@H](C(=O)N(C)Cc2ccc(N)cc2)CC1=O 2092470858 ZHLFIDSFPPDSDW-LLVKDONJSA-N 261.325 0.706 10 10 CCCE NC(=O)CN(Cc1ccc(N)cc1)[C@@H]1CCC[C@H]1O 2099394026 BQWFJNMJNLWCTD-CHWSQXEVSA-N 263.341 0.470 10 10 CCCE COc1ccc(N(CCCN)[C@H]2COC[C@H]2O)cc1 2099401956 CWCQVZDRIKHYTL-UONOGXRCSA-N 266.341 0.610 10 10 CCCE CN1CCN(c2c(F)cc(CN)cc2F)[C@@H](CCO)C1 2202820787 OCXIVTCGZLUJQR-NSHDSACASA-N 285.338 0.926 10 10 CCCE Cc1cc([C@@H](C)O)ccc1N1CC2(CNC(=O)N2)C1 2232093657 JFRZDKZTCLUECV-SNVBAGLBSA-N 261.325 0.920 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N(C)[C@H]3C[C@@H](O)C3)ccc21 2224216657 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O=C(c1cc(O)c(O)c(O)c1)N1CCC[C@H](O)CC1 2132349028 XDAXSVYYYZWEFR-VIFPVBQESA-N 267.281 0.790 10 10 CCCE CO[C@@H]1C[C@H](NC(=O)Cc2ccc(N)cc2)C[C@H]1O 2130804489 JRGPAWQRRIJFDW-JHJVBQTASA-N 264.325 0.466 10 10 CCCE COc1cccc(N(C)C(=O)C2=C[C@H](O)[C@@H](N)C2)c1 2131476687 MUPGQXTYXMQGII-STQMWFEESA-N 262.309 0.676 10 10 CCCE C[C@H](O)[C@H](O)CNCc1ccc2c(c1)CCCO2 922308541 DLQPJRPXJFOLMK-GXFFZTMASA-N 251.326 0.843 10 10 CCCE COC[C@H](O)CN(C)c1ccc2c(c1)N(C)C(=O)[C@@H]2N 222099684 REKOUTNKEVWQIN-ZWNOBZJWSA-N 279.340 0.106 10 10 CCCE Nc1ccc(OCC(=O)N[C@H]2C[C@H](CCO)C2)cc1 1907149029 FFMXZQCHVILHGZ-UMSPYCQHSA-N 264.325 0.925 10 10 CCCE OCc1cc(F)c(N2CC[C@@H](O)C[C@H]2CO)c(F)c1 2136083606 WSVNQZAYQIIRIM-VHSXEESVSA-N 273.279 0.779 10 10 CCCE O=C(O)[C@H]1C[C@H](O)CN1Cc1cc(F)cc(F)c1O 2136096371 PUZVLTJMGDBFSK-WCBMZHEXSA-N 273.235 0.690 10 10 CCCE COc1cc(N(C)C[C@@]2(O)CCOC2)ccc1CO 2139684338 JFPXCQYJHRWKSO-AWEZNQCLSA-N 267.325 0.775 10 10 CCCE COc1cc(N2C[C@H]3C(C(N)=O)[C@@H]3C2)ccc1CO 2139700876 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O=C(CN1C[C@@H](O)[C@H](F)C1)c1ccc(O)c(O)c1 2031928277 LYFJSAPHBRIUAC-PRHODGIISA-N 255.245 0.295 10 10 CCCE C[C@H](N)CS(=O)(=O)Nc1ccc(O)cc1[N+](=O)[O-] 2035447373 HGFWUXFGUYZXRS-LURJTMIESA-N 275.286 0.389 10 10 CCCE C[C@H](C(=O)Nc1ccc(N)cc1)N1CC[C@H](C(N)=O)C1 300529767 JMLZQIQBCPXOGC-ZJUUUORDSA-N 276.340 0.403 10 10 CCCE CO[C@@H](CCNC(=O)c1ccc(O)c(O)c1)C(=O)O 401525157 RHRHFMKNYWOHMS-JTQLQIEISA-N 269.253 0.317 10 10 CCCE CO[C@@H](C)CN(C)C[C@H](O)COc1ccc(N)cc1 311484396 LUSAEOSYUPSBIY-AAEUAGOBSA-N 268.357 0.975 10 10 CCCE C[C@@H]1C[C@@H](O)CCN1c1ccc2c(c1)NC(=O)[C@@H]2N 706018459 MLYJVLJPTYXMBC-DFAYQTQMSA-N 261.325 0.988 10 10 CCCE C[C@H]1CN(c2ccc(CN)cc2)CCS1(=O)=O 707119343 WIGNZYXNTONYPG-JTQLQIEISA-N 254.355 0.769 10 10 CCCE CN[C@H](C)c1ccc(N(C)Cc2nnnn2C)cc1O 707668941 BULDJEQKSJBFJZ-SECBINFHSA-N 276.344 0.833 10 10 CCCE CNCc1ccc(N(C)CCN(C)CCO)cc1 691380929 OQOZFPWDHFKIGL-UHFFFAOYSA-N 251.374 0.766 10 10 CCCE C[C@H](NS(=O)(=O)Cc1ccc(N)cc1)C1(CO)CC1 696097167 XULMKVWDOZKCLS-JTQLQIEISA-N 284.381 0.849 10 10 CCCE CN(C)C[C@H](O)CNC(=O)CCOc1ccc(N)cc1 717416111 RPGVNSVYNPWJRA-GFCCVEGCSA-N 281.356 0.076 10 10 CCCE CN1C[C@H](NCc2c(O)ccc3ccccc23)C(=O)N1 393903311 PQTIQNAZQHAVTQ-ZDUSSCGKSA-N 271.320 0.980 10 10 CCCE CN1CCc2cc([C@@H](NN)C3(S(C)(=O)=O)CC3)ccc21 2167889522 HBQHQSJQFFYUMM-CYBMUJFWSA-N 295.408 0.761 10 10 CCCE Nc1ccc(CCCN2CC(O)([C@@H](F)C(=O)O)C2)cc1 2179651718 LOXIWBWJQLFBIE-LBPRGKRZSA-N 282.315 0.671 10 10 CCCE CC1(C)[C@H](O)[C@@H](O)CN1c1ccc(CO)cc1[N+](=O)[O-] 2181217228 UDQQGDFSYNCFOZ-NWDGAFQWSA-N 282.296 0.408 10 10 CCCE NC(=O)C[C@@H]1CCCCN1C(=O)c1ccc(O)c(O)c1 2183265735 NYEXDOQINOOHCT-JTQLQIEISA-N 278.308 0.968 10 10 CCCE CNCc1ccc(N2CC[C@H]3C[C@H]2[C@H](O)[C@@H]3O)c(F)c1 2199526945 MQEIQJSVLFRMJY-HPEDKQMDSA-N 280.343 0.866 10 10 CCCE NC[C@]1(F)C[C@H](NC(=O)c2cccc(O)c2O)C1 2042832912 KEURTADACOHXGK-HCJPZQEFSA-N 254.261 0.657 10 10 CCCE C[C@@H](N)c1ccc(N2C[C@@H](O)C[C@@H](O)C2)c(F)c1 2043131043 FQFQQXUVLLCFCK-IEBDPFPHSA-N 254.305 0.777 10 10 CCCE 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CCCE Nc1ccc(OCC(=O)N2CC[C@@H]3[C@@H](O)C[C@@H]3C2)cc1 2232888015 KNSKMVKVZYYLPZ-SWHYSGLUSA-N 276.336 0.877 10 10 CCCE CC[C@H](N)c1ccc(N2C[C@H](O)[C@H](O)[C@@H]2COC)cc1 2234062400 ARJFZHIWCAINJC-ZQDZILKHSA-N 280.368 0.653 10 10 CCCE COC[C@@H]1[C@@H](O)[C@@H](O)CN1c1ccc(CO)c(Cl)c1 2225520100 SSOAKAQNZMUILP-FRRDWIJNSA-N 287.743 0.389 10 10 CCCE COc1ccc(N2CC[C@H]2C(N)=O)c(C=CC(=O)O)c1 2235955048 FVQXHUOCPQBLJQ-LBPRGKRZSA-N 276.292 0.857 10 10 CCCE COc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3C(N)=O)c(C(=O)O)c1 2235949214 BFYZXGBZKQHICA-IAZYJMLFSA-N 276.292 0.561 10 10 CCCE COc1ccc(N2CC[C@@](O)(CO)[C@H](O)C2)cc1Cl 2226929537 FMVXDIPUAREQPO-CHWSQXEVSA-N 287.743 0.643 10 10 CCCE Nc1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]2C[C@H]3[C@@H](O)[C@@H]2O)cc1 2237058079 VINKMJIAVFSEEG-ZTYXSZCMSA-N 274.364 0.688 10 10 CCCE CNCc1cc(OC)ccc1N1C[C@@H](O)C[C@@H]1CO 2227675162 ZOIRZAZZOXEXDV-NEPJUHHUSA-N 266.341 0.347 10 10 CCCE CSc1ncc(CN[C@@H]2CS(=O)(=O)C[C@H]2O)s1 2248642335 OZGWDUBJTUBGLY-HTQZYQBOSA-N 294.423 0.113 10 10 CCCE COc1ccc(N2C[C@H](O)C[C@@H]2CN)c(OC)c1C 2278018494 YXEYDYJYOSFJEZ-GHMZBOCLSA-N 266.341 0.911 10 10 CCCE COc1ccc(N2C[C@@H]3OC[C@@H](CO)O[C@H]3C2)c(F)c1 2279762762 YVICNDIMEMWKRM-SWHYSGLUSA-N 283.299 0.799 10 10 CCCE COC(=O)CN1C(=O)NC(=Cc2cc(C)n(C)c2C)C1=O 2297620024 BKIILKDEPRQUKF-UHFFFAOYSA-N 291.307 0.708 10 10 CCCE CN(NCc1c(O)cccc1F)S(=O)(=O)C1CC1 2317484428 GPWQIZZAJLLUOQ-UHFFFAOYSA-N 274.317 0.960 10 10 CCCE Cc1cc([C@@H](C)O)ccc1N1C[C@@H](O)[C@@H](O)[C@@H]1CF 2333979905 RMNADBPUFWKSSW-PCDDKUFXSA-N 269.316 0.928 10 10 CCCE N[C@@H]1CC[C@H]1S(=O)(=O)Nc1ccc(O)cc1[N+](=O)[O-] 2338262461 OOJKHTWESAHKPV-GMSGAONNSA-N 287.297 0.532 10 10 CCCE CCN(CC)CCNC=C1C(=O)OC(C)(C)OC1=O 100303277 LVKNXWNUCLGTNJ-UHFFFAOYSA-N 270.329 0.638 10 10 CCCE NC(=O)[C@@H]1CCCN1Cc1cc([N+](=O)[O-])ccc1O 173330553 YJEHQKSOSCLJQQ-JTQLQIEISA-N 265.269 0.750 10 10 CCCE C[C@@H]1CCN(C(=O)c2ccc(O)c(O)c2)[C@H]1CO 226332317 XHSMCXJTTCMTOJ-SCZZXKLOSA-N 251.282 0.941 10 10 CCCE C[C@@H](N)c1ccc(N2C[C@H](O)[C@H](O)C2)c(Cl)c1 235223966 DBZDPDXLQVJCMG-HFKOZYHYSA-N 256.733 0.902 10 10 CCCE Cc1ccc(O)c([C@H](C)N2CCNC[C@H]2C(N)=O)c1 251163613 NLTFKUFQBSMMQK-JQWIXIFHSA-N 263.341 0.521 10 10 CCCE COc1ccc(COCC(=O)OCC(=O)C(C)=O)cc1 808506983 XCLICVSKTBEYMO-UHFFFAOYSA-N 280.276 0.913 10 10 CCCE CC(=O)C(=O)COC(=O)[C@H](C)Cc1c(C)n[nH]c1C 808532783 KSQJKHGDWNVTLT-SSDOTTSWSA-N 266.297 0.906 10 10 CCCE COC(=O)[C@H]1CN(C)C[C@H]1c1cccc(O)c1O 725393913 RSKANKGXMJHJBI-UWVGGRQHSA-N 251.282 0.916 10 10 CCCE C[C@@H](N)CNC(=O)/C=C\c1ccc(N2CCOCC2)cc1 588614805 ZEENVBDNHPLUNU-LLPBQKLSSA-N 289.379 1.000 10 10 CCCE C[C@H](NCC[C@@H]1CNCCS1(=O)=O)c1ccccc1O 925797170 PHVWLKWSNSLOQB-NWDGAFQWSA-N 298.408 0.820 10 10 CCCE C[C@H](N)c1ccc(N2C[C@H](O)C[C@]2(C)CO)cc1O 698137388 ICPJDNGLCHAZKD-DRCTWCGVSA-N 266.341 0.734 10 10 CCCE CCNCCN(C)c1cc2c(cc1N)OCC(=O)N2 1876279803 SRAFOWADLXICOQ-UHFFFAOYSA-N 264.329 0.645 10 10 CCCE CN(c1cc2c(cc1N)OCCO2)C1[C@@H]2CNC[C@@H]12 1876362833 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C[C@@H]1CN(C[C@H](O)CO)c2cc3c(cc2N1)OCO3 76928790 QFVCTJSPXROYRQ-BDAKNGLRSA-N 266.297 0.389 10 10 CCCE COc1ccc(N2CCN(C)C(=O)C2)cc1C(=O)O 84630766 ZSRNDJNABKSBGB-UHFFFAOYSA-N 264.281 0.672 10 10 CCCE Cn1cc(C(=O)NCCc2ccc(O)c(O)c2)nc1O 1595751308 GEHGSXQPCUVTIK-UHFFFAOYSA-N 277.280 0.509 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3C[C@@H]4COC[C@H]4C3)ccc21 718244765 OARDVRGHDOWATQ-KKFJDGPESA-N 259.309 0.721 10 10 CCCE Nc1ccc(NC(=O)C(=O)N2C[C@H]3C[C@H](O)C[C@H]2C3)cc1 1330564982 UHRRIFGDTJYDLB-WQAKAFBOSA-N 289.335 0.579 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@H]2CCC[C@H](O)C2)cc1 694570278 TWTRAXLHSWBCKK-STQMWFEESA-N 284.381 0.992 10 10 CCCE CON1CC[C@H](NCc2cc3c(cc2O)OCO3)C1 2116168523 QFPRRUAWOBALMG-JTQLQIEISA-N 266.297 0.846 10 10 CCCE N=c1[nH]cc([N+](=O)[O-])c(=NCc2ccc(N)cc2)[nH]1 2117258622 YCZAWVVVNVIAGY-UHFFFAOYSA-N 260.257 0.414 10 10 CCCE C[C@@H](COC[C@@H](O)COc1ccc(N)cc1)N(C)C 2119221527 WJSCYSVJRBIJOZ-WCQYABFASA-N 268.357 0.975 10 10 CCCE COC[C@H](C)NC(=O)COCCc1ccc(N)cc1 2119733953 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CCN[C@@H](c1ccccc1O)[C@]1(O)CCCS(=O)(=O)C1 1922484424 DLEFOCDYZGJDML-KBPBESRZSA-N 299.392 0.983 10 10 CCCE C[C@@H]1CS(=O)(=O)CCN1CCOc1ccc(N)cc1 228725317 LACBGCVOSDRGPA-LLVKDONJSA-N 284.381 0.767 10 10 CCCE CN(C)CCN(CC(=O)O)C(=O)c1ccc(O)c(O)c1 234239626 WWEDCYITJKVAJF-UHFFFAOYSA-N 282.296 0.186 10 10 CCCE C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1cccc(O)c1O 126329837 HKMLUMSEQQGRCE-BDAKNGLRSA-N 278.308 0.824 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CCC[C@@H]1C1OCCO1 1942006336 UGYXAMUXJHKOQT-SECBINFHSA-N 280.280 0.470 10 10 CCCE CN1CCN[C@@H](c2ccc([N+](=O)[O-])cc2O)C1=O 1951855877 OAIJHQWICGORCR-JTQLQIEISA-N 251.242 0.403 10 10 CCCE Nc1ccc(OCC(=O)NC[C@@H]2CCCNC2=O)cc1 2144038428 BPSMHFPJOOPDSY-JTQLQIEISA-N 277.324 0.290 10 10 CCCE O=C1CCc2cc(N3CCNCC3)c([N+](=O)[O-])cc2N1 35341103 OXTNXIMKABGCOO-UHFFFAOYSA-N 276.296 0.889 10 10 CCCE CN1CCCc2cc([C@@H](O)CS(=O)(=O)N(C)C)ccc21 2145634631 IHRRMATYANSVGT-AWEZNQCLSA-N 298.408 0.994 10 10 CCCE C[C@H]1CCN(CC(=O)c2ccc(O)c(O)c2)[C@@H]1C(N)=O 2146466433 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270.283 0.841 10 10 CCCE Nc1ccc(NC(=O)N2CCO[C@H](CCO)C2)cc1 1963540582 XKPBPWUSXVUKPX-GFCCVEGCSA-N 265.313 0.884 10 10 CCCE CC(C)(O)c1nnc([C@@H](N)c2cccc(O)c2O)o1 83480926 PEGGVOWOQILVSA-QMMMGPOBSA-N 265.269 0.756 10 10 CCCE Cc1ccc(O)c([C@@H](N)C(=O)NC[C@H]2CCCO2)c1 83478187 HUICAWRJBNDJCD-ZWNOBZJWSA-N 264.325 0.996 10 10 CCCE CC(=O)NCc1nnc([C@H](N)c2ccc(C)cc2O)o1 83547311 UXWLBUBSYPVRIN-GFCCVEGCSA-N 276.296 0.768 10 10 CCCE N=C(NO)C1(NC(=O)c2cccc(O)c2O)CCC1 711214142 UGQVEFMFGIRQDV-UHFFFAOYSA-N 265.269 0.706 10 10 CCCE COc1cc(N)c(N2CC[C@@H](CC(N)=O)C2)cc1OC 690710948 BOMCNIDAWIWVRI-VIFPVBQESA-N 279.340 0.988 10 10 CCCE C[C@H](c1ccc(O)cc1O)N1CCOC[C@]1(CN)CO 693976707 BKGNGLQDWRTPJH-YGRLFVJLSA-N 282.340 0.181 10 10 CCCE COC(=O)N(C)CC(=O)NCc1c(O)cccc1O 1456238070 XQRYZRCJVXLJSI-UHFFFAOYSA-N 268.269 0.412 10 10 CCCE CN1CCC(CCO)(NC(=O)c2cccc(O)c2O)CC1 1466604829 SGHMSBDYODDIEP-UHFFFAOYSA-N 294.351 0.674 10 10 CCCE Cn1cccc(C(=O)NCc2cccc(O)c2O)c1=O 1471644398 SNABDZKBGCOXEH-UHFFFAOYSA-N 274.276 0.727 10 10 CCCE OCc1ccc(N2C[C@@H]3[C@@H](CO)CO[C@H]3C2)c(F)c1 2121593802 RMOMSAHFAWOFDA-WDMOLILDSA-N 267.300 0.762 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NC[C@H]1CCCS1(=O)=O 1569097464 ABNWEBJNCPJBRF-SNVBAGLBSA-N 299.348 0.334 10 10 CCCE [N-]=[N+]=N[C@H]1CCCN(CCN2C(=O)CCC2=O)C1 1912184743 HGRINSJURCIEKS-VIFPVBQESA-N 251.290 0.910 10 10 CCCE [N-]=[N+]=NC1CCN(Cc2cc(=O)n3[nH]cnc3n2)CC1 1912201432 UQLJOPYFESJDII-UHFFFAOYSA-N 274.288 0.692 10 10 CCCE C[C@@H]1C[C@@H](C(=O)O)N1C(=O)c1cccc(O)c1O 1913162199 VXWUSZLEGHVQQZ-SVRRBLITSA-N 251.238 0.785 10 10 CCCE COCC[C@]1(NC(=O)Cc2ccc(N)cc2)CCNC1 1967216780 ZYWUCUWNQURUTG-OAHLLOKOSA-N 277.368 0.696 10 10 CCCE C[C@@H]1COc2ccc(N3CCNCC3)cc2C(=O)N1 107254794 KFYDAOIKAOZTDB-SNVBAGLBSA-N 261.325 0.607 10 10 CCCE CN(C[C@@H](O)CN)c1ccc2c(c1)OCCCO2 258790391 BVAIOYLQCKCENA-NSHDSACASA-N 252.314 0.604 10 10 CCCE O=C(NC[C@@]12CC[C@H]1CNC2)c1cc(O)nc(O)c1 2136069051 ZJGIMBUWTLHPKC-ZANVPECISA-N 263.297 0.222 10 10 CCCE C[C@H]1CN(c2ccc3c(c2)NC(=O)[C@H]3N)CCN1C 251578222 CGTNTBBEAMFTPR-ZANVPECISA-N 260.341 0.779 10 10 CCCE NC(=O)[C@@H]1[C@H]2CN(c3ccc4c(c3)CC[C@H]4N)C[C@H]21 2136611253 DSHOLQXUELJHPP-RQJABVFESA-N 257.337 0.800 10 10 CCCE COc1cccc(CN[C@@H](C)C2CS(=O)(=O)C2)c1O 1967838920 GMPQBTLZVRRTKT-VIFPVBQESA-N 285.365 0.924 10 10 CCCE CC(C)(CN)CNC(=O)Cc1ccc(O)c(O)c1 1969421015 NCGNOGQXDGDPDB-UHFFFAOYSA-N 252.314 0.741 10 10 CCCE NC[C@]12CO[C@](C(=O)NCc3ccccc3O)(C1)C2 2142252989 XKNUHIWIMQEGOD-OKILXGFUSA-N 262.309 0.516 10 10 CCCE C[C@@H]1[C@H]2CNC[C@H]2CN1C(=O)c1cc(O)nc(O)c1 252557575 NLMFQBORWMZATE-FKTZTGRPSA-N 263.297 0.173 10 10 CCCE COc1cccc(CN(C)C[C@@H]2CNCCO2)c1O 125512763 SJXACQZDWQSLLI-LBPRGKRZSA-N 266.341 0.821 10 10 CCCE CNC(=O)[C@H]1CNCCN1[C@@H](C)c1c(O)cccc1O 234372365 HSDASPORWWBXGY-VHSXEESVSA-N 279.340 0.179 10 10 CCCE CN(C(=O)c1ccc(O)c(O)c1)[C@H]1COC[C@@H]1C(=O)O 234316824 ODJZLBYNKIQCPZ-IUCAKERBSA-N 281.264 0.269 10 10 CCCE O=C(NCc1ccccc1O)[C@H]1CCS1(=O)=O 1945530578 KWCMSMLJIVSOER-SNVBAGLBSA-N 255.295 0.196 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CCC[C@H]2CNC[C@H]21 236583339 XFQLUUZUPXGYEE-WDEREUQCSA-N 262.309 0.922 10 10 CCCE NNCc1cc(I)ccc1O 1951382981 KYZMXRSTULRFKJ-UHFFFAOYSA-N 264.066 0.960 10 10 CCCE CCN1CCc2cc([C@H](N)[C@@H](O)C(=O)O)ccc21 1952442279 HILLFDAUHMZDIK-NWDGAFQWSA-N 250.298 0.514 10 10 CCCE COc1cc([C@H](OC)[C@H](N)C(=O)O)cc(O)c1O 1952535405 OKDYXTYPEONCNR-WPRPVWTQSA-N 257.242 0.206 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3C[C@@H](CO)C4(CC4)C3)ccc21 2144091450 SSKHVHIATMHHJO-ZANVPECISA-N 273.336 0.847 10 10 CCCE Nc1ccc(OC[C@H](O)CN2CC[C@H](O)[C@H](F)C2)cc1 2144574047 QZAYYJKSKDGMNJ-BNOWGMLFSA-N 284.331 0.413 10 10 CCCE NC(=O)[C@@H]1CCCCN1c1cc2c(cc1N)OCCO2 42406007 UTTIWSBAZVQYSS-JTQLQIEISA-N 277.324 0.884 10 10 CCCE NC(=O)[C@@H]1COCCN1CCCOc1ccc(N)cc1 158823607 YNTRTHKFGGSDRH-ZDUSSCGKSA-N 279.340 0.224 10 10 CCCE CNC(=O)OC1CN(c2ccc(CO)cc2[N+](=O)[O-])C1 2146893237 WNLOKHKQGWMOLV-UHFFFAOYSA-N 281.268 0.632 10 10 CCCE Nc1ccc(CC(=O)N[C@H]2C[C@H](n3cncn3)C2)cc1 2159841695 GPZQNZIGPBOPAA-JOCQHMNTSA-N 271.324 0.923 10 10 CCCE Cn1ncc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)n1 2027815858 QUDYNHGOEUCJSY-UHFFFAOYSA-N 288.716 0.975 10 10 CCCE O=C(NC[C@H]1CCS1(=O)=O)c1cccc(O)c1O 2033311886 BFMQQWBPFQPJFN-SSDOTTSWSA-N 271.294 0.015 10 10 CCCE C[C@H](N[C@@H]1CC(=O)NC1=O)c1ccc(O)cc1O 2034956963 IMIFYGQWOKEEAZ-IMTBSYHQSA-N 250.254 0.164 10 10 CCCE C[C@@H]1CN[C@@H]1C(=O)NCCc1ccc(O)c(O)c1 2038131145 LXDHFBDWXUSQTJ-PELKAZGASA-N 250.298 0.364 10 10 CCCE Cc1cc(N2CCC(O)(C(N)=O)CC2)ccc1CN 311666402 XNNFFPDDYDTAFQ-UHFFFAOYSA-N 263.341 0.270 10 10 CCCE Nc1ccc(OCCCN2C[C@H](O)[C@H]3COC[C@H]32)cc1 2158412283 VRKZGYGVQKIENC-ZNMIVQPWSA-N 278.352 0.729 10 10 CCCE Nc1ccc(O)c(CNC(=O)CCn2cccn2)c1 312114445 ONMZRRUXZWRROA-UHFFFAOYSA-N 260.297 0.877 10 10 CCCE COc1ccc(CN2CC([C@H](OC)C(=O)O)C2)c(O)c1 2172357792 ZPWDYFQYILJUNP-ZDUSSCGKSA-N 281.308 0.932 10 10 CCCE CO[C@@](C)(CO)CNS(=O)(=O)Cc1ccc(N)cc1 702502664 OKOIJKOFTCWZDY-GFCCVEGCSA-N 288.369 0.086 10 10 CCCE CNC(=O)CC1CN(c2ccc(CN)c(F)c2)C1 382203100 QTULNSUASBVAHJ-UHFFFAOYSA-N 251.305 0.857 10 10 CCCE Nc1ccc(OCC(=O)OCO[C@H]2CCOC2)cc1 382276673 CNOGBQXNHRIYEC-LBPRGKRZSA-N 267.281 0.954 10 10 CCCE NC[C@H]1CC[C@H](NC(=O)c2cc(O)nc(O)c2)C1 382321692 RDADMIOYFAYKEE-CBAPKCEASA-N 251.286 0.350 10 10 CCCE NCc1cc(F)c(N2C[C@H]3C(=O)NC(=O)[C@H]3C2)c(F)c1 386990794 OPFDGCDBBSTQEH-OCAPTIKFSA-N 281.262 0.132 10 10 CCCE CN[C@H](C)c1ccc(N2C[C@H](O)C[C@]2(C)CO)cc1O 698146805 JDCMLDGROSCEES-IXPVHAAZSA-N 280.368 0.995 10 10 CCCE O=C(N[C@H]1CC12CCNCC2)c1cc(O)nc(O)c1 389873570 BDCYUHBYVOKGGD-VIFPVBQESA-N 263.297 0.365 10 10 CCCE Cc1cc(N2CC[C@@H](O)[C@@H](CO)C2)ccc1CN 396907143 ZZKHSEGRDSWCTN-TZMCWYRMSA-N 250.342 0.633 10 10 CCCE COCc1nc(N)cc(=NCCc2ccc(N)cc2)[nH]1 2174020369 AOVQHVFIZZUHGK-UHFFFAOYSA-N 273.340 0.864 10 10 CCCE Cc1cc(O)n2ncc(C(=O)N[C@H](CO)C3CCC3)c2n1 2062053001 IGUWPBKNUPURNJ-LLVKDONJSA-N 290.323 0.634 10 10 CCCE Nc1ccc(CC(=O)NC[C@H]2[C@@H]3CS(=O)(=O)C[C@H]23)cc1 2174621814 LLGFJTFSDNOSNH-XYYAHUGASA-N 294.376 0.218 10 10 CCCE Cc1cc(O)n2ncc(C(=O)N3CCCOCC3)c2n1 2063261955 LRCSOJSQTYZNAJ-UHFFFAOYSA-N 276.296 0.606 10 10 CCCE C[C@H]1CNC(=O)CN1[C@@H](C)C(=O)Nc1ccc(N)cc1 2181171668 KRRZZAPDNQCRHR-UWVGGRQHSA-N 276.340 0.416 10 10 CCCE O=C1CN(c2ccc3c(c2)NC(=O)[C@@H]3O)[C@H]2CC[C@H]2N1 2168362294 LMEAMNZNOYWVRQ-SUZMYJTESA-N 273.292 0.139 10 10 CCCE CS(=O)(=O)c1cnn(Cc2ccc(O)cc2O)c1O 2070260416 AMXKUFPGGJTPQU-UHFFFAOYSA-N 284.293 0.452 10 10 CCCE C[C@H](N)CN1CCN(C(=O)c2cccc(O)c2O)CC1 2170226217 SZSFLFVLPWVSCH-JTQLQIEISA-N 279.340 0.203 10 10 CCCE Nc1ccc(OCCCN2CCC[C@@H]2[C@@H](O)CO)cc1 2179806490 OOWBKHZUWFPMLO-CABCVRRESA-N 280.368 0.855 10 10 CCCE CC[C@@H]1CNCC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2188929364 OSQNRPOBQSDDDQ-SCZZXKLOSA-N 280.324 0.921 10 10 CCCE CN(C(=O)CCc1ccc(N)cc1)[C@@H]1CCC(=O)NC1 2183450824 GCPHJSDMSHMBMY-CYBMUJFWSA-N 275.352 0.938 10 10 CCCE C[C@H](N)c1cc(F)c(N2CC[C@@](O)(C(N)=O)C2)c(F)c1 2194706270 BHCPKAGHNMNJDS-CPFSXVBKSA-N 285.294 0.411 10 10 CCCE CS(=O)(=O)N[C@@H]1CCN(c2ccc3c(c2)CC[C@H]3O)C1 2184738832 YLZNEBGMXLBLBK-BXUZGUMPSA-N 296.392 0.794 10 10 CCCE CO[C@H]1CNCC[C@]1(O)c1ccc(N(C)C)cc1 2044718541 KDVBBSCOCNTIFZ-KBPBESRZSA-N 250.342 0.949 10 10 CCCE COc1cccc(CN[C@@H]2C[C@@H](O)C[C@@H]2O)c1O 2046491284 WNBITHHABPTKCZ-MXWKQRLJSA-N 253.298 0.375 10 10 CCCE Nc1ccc(OCC(=O)N[C@@H]2[C@@H]3CCCCN[C@H]32)cc1 2191685455 QMCPMKBNNFVEPA-BPLDGKMQSA-N 275.352 0.904 10 10 CCCE C[C@@]1(CO)COCCN1Cc1cc(N)ccc1O 2049909875 BTWKIOODWKJEFD-CYBMUJFWSA-N 252.314 0.558 10 10 CCCE Nc1ccc(OCC(=O)N[C@@H]2CC[C@H](O)C2)cc1 2057790177 OWPZNPHYWSFMEE-MNOVXSKESA-N 250.298 0.677 10 10 CCCE CN1CCO[C@H](C(=O)NCCOc2ccc(N)cc2)C1 2187807325 XYARNYDYOXNTNV-ZDUSSCGKSA-N 279.340 0.094 10 10 CCCE C[C@@H]1CCN[C@H](C)[C@@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 2080211982 MITDFVDYJPKROZ-VDWIVTDKSA-N 252.358 0.886 10 10 CCCE CC[C@@H](c1ccccc1O)N1CC(O)(C(=O)O)C1 2081049334 LPSQYVYUKKRVAZ-JTQLQIEISA-N 251.282 0.975 10 10 CCCE CCCOc1ccc(N2CCNC[C@H]2C(N)=O)cc1 2106327596 XMCPBUORHNFMTO-ZDUSSCGKSA-N 263.341 0.739 10 10 CCCE CN1CCc2cc([C@@H](O)c3cn(C)[nH]c3=N)ccc21 2106799266 UOIZGMZLSKKOFY-CYBMUJFWSA-N 258.325 0.907 10 10 CCCE COCCN(CCO)C(=O)Cc1ccc(O)c(O)c1 2087726961 MFFVNJMDSXHBJI-UHFFFAOYSA-N 269.297 0.108 10 10 CCCE C[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)CC(=O)O 2087725113 PZHHMYBYFUPNFS-MRVPVSSYSA-N 267.281 0.867 10 10 CCCE Nc1ccc(CCC(=O)N2C[C@@H]3[C@@H](CO)[C@@H]3C2)cc1 2090736855 LWEHAZYRMQBKAR-WDNDVIMCSA-N 260.337 0.898 10 10 CCCE CN([C@@H]1CCN(c2ccc(CN)cc2)C1)S(C)(=O)=O 2090798356 CGPIOJGDMFRAPQ-CYBMUJFWSA-N 283.397 0.615 10 10 CCCE CCC[C@@]1(O)CCN(C(=O)c2cc(O)nc(O)c2)C1 2094370438 PYOFJCQRYAGCPS-CYBMUJFWSA-N 266.297 0.870 10 10 CCCE NC(=O)[C@H]1C[C@H](N)CN(Cc2cc(F)ccc2O)C1 2094664618 BPLLTGCLAGHTDT-ONGXEEELSA-N 267.304 0.166 10 10 CCCE O=C(NCCc1ccnnc1)c1cccc(O)c1O 2095523791 DHWAEBLIYKRSEX-UHFFFAOYSA-N 259.265 0.860 10 10 CCCE NC(=O)C1[C@@H]2CN(c3ccc([N+](=O)[O-])c(CO)c3)C[C@@H]12 2201278517 OVHYLMGKYYCRHI-NXEZZACHSA-N 277.280 0.255 10 10 CCCE CCN(C)C1CN(c2ccc3c(c2)NC(=O)[C@H]3N)C1 2113150183 RGQNCASCPOMIGJ-ZDUSSCGKSA-N 260.341 0.779 10 10 CCCE C[S@](=O)C1CN(c2cc3c(cc2F)[C@H](O)C(=O)N3)C1 2115311566 SJVZRIWKMDOLNB-WLRWDXFRSA-N 284.312 0.378 10 10 CCCE COc1ccc(N(CCN)C[C@@H](C)O)c([N+](=O)[O-])c1 2269802935 XHGZVODCDLAJMB-SECBINFHSA-N 269.301 0.749 10 10 CCCE CN(CCOCC(N)=O)Cc1ccc(N(C)C)cc1 2232245880 LXSVPZNZPJIPCP-UHFFFAOYSA-N 265.357 0.686 10 10 CCCE Cc1cc([C@@H](C)N)ccc1N1CC(CO)(CO)C1 2223973613 QDDJYLDISRCLTR-LLVKDONJSA-N 250.342 0.806 10 10 CCCE O[C@@H]1[C@H](O)CCC[C@H]1NCc1ccc2c(c1)CCO2 2224349898 RSLXIUZSEQPQLP-NFAWXSAZSA-N 263.337 0.985 10 10 CCCE N[C@@H]1C[C@H]2CN(C(=O)c3cccc(O)c3O)CC[C@H]12 2224662618 ZNNHXUDLOLQVPI-ATZCPNFKSA-N 262.309 0.907 10 10 CCCE CN(C)[C@@H]1CN(c2ccc3c(c2)OCCCO3)C[C@@H]1O 2235121554 KHMGFIPEZZPRHC-OLZOCXBDSA-N 278.352 0.959 10 10 CCCE CCn1cc(S(=O)(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])nn1 2225798604 HIQPBKPQBIUATQ-JGVFFNPUSA-N 285.333 0.808 10 10 CCCE CCNCc1cc(OC)ccc1N1C[C@@H](O)C[C@H](O)C1 2235953932 IAAPXXRKABNDFA-STQMWFEESA-N 280.368 0.737 10 10 CCCE CN(C(=O)c1cc(O)nc(O)c1)[C@H](CO)CC1CC1 2226159293 FKHGEPIEZJWJGW-JTQLQIEISA-N 266.297 0.726 10 10 CCCE CO[C@H]1CN[C@@H](C(=O)NCc2cnc(SC)s2)C1 2256941165 QUTQUCAYKATBCO-VXNVDRBHSA-N 287.410 0.858 10 10 CCCE OCc1ccc(N2C[C@@H]3OCC[C@@]3(CO)C2)c(F)c1 2278878232 IVYBDXKMTBKAOA-KBPBESRZSA-N 267.300 0.906 10 10 CCCE CN(Nc1nc2c(s1)[C@H]1CC[C@@H](C2)N1)S(C)(=O)=O 2317460840 ULQJPCWTVAOOKJ-NKWVEPMBSA-N 288.398 0.711 10 10 CCCE CNC[C@](C)(C(=O)O)N(C)Cc1ccccc1O 2326339177 ZEVATMIZNIJHNN-CYBMUJFWSA-N 252.314 0.887 10 10 CCCE COc1ccc(CNCC[C@@H](O)CCO)c(O)c1 2326769556 DFIXCGLWNPJJFQ-LLVKDONJSA-N 255.314 0.624 10 10 CCCE N[C@@H]1C[C@@]2(NC(=O)c3ccc(O)c(O)c3)CO[C@@H]1C2 2334245812 YMRKNZLXLCWUQK-DYLAAIIWSA-N 264.281 0.086 10 10 CCCE CONCCC(=O)N1CCc2cc(O)c(O)cc2C1 2341150444 QEPZBKDSNLFLDW-UHFFFAOYSA-N 266.297 0.524 10 10 CCCE Oc1cc2c(cc1O)CN(C[C@@H]1COCCN1)CC2 2341208380 GNBRAXIDSRLFDZ-GFCCVEGCSA-N 264.325 0.444 10 10 CCCE C[C@H]1CN(c2ccc3c(c2)N(C)C(=O)[C@H]3O)C[C@@H]1O 2341407381 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CN(C)c1ccc(C=CC(=O)NCC2(O)CNC2)cc1 1911973712 VBSAPXFPQJPUDC-UHFFFAOYSA-N 275.352 0.216 10 10 CCCE COC(=O)CCCS(=O)(=O)N1CC[C@H](N=[N+]=[N-])C1 1912155080 PHABXJRDPWMFKJ-QMMMGPOBSA-N 276.318 0.654 10 10 CCCE O=C(Cn1ncnn1)NCc1cc(Cl)ccc1O 1632228293 NSYHYEZDEHZRCX-UHFFFAOYSA-N 267.676 0.349 10 10 CCCE COC[C@@]1(CO)CCN(C(=O)c2cccc(O)c2O)C1 1640896676 PWXKXHFTTSQXFV-AWEZNQCLSA-N 281.308 0.569 10 10 CCCE O=C1C[C@H](C(=O)NCc2c(O)cccc2O)CCN1 1652625707 JPMNSPMTHLOLQN-MRVPVSSYSA-N 264.281 0.240 10 10 CCCE Cn1cc(CCNCc2cccc(F)c2O)nn1 1965928269 XQHBHGHETJBPCV-UHFFFAOYSA-N 250.277 0.992 10 10 CCCE N[C@H](C(=O)NCc1ccccc1O)[C@H]1CCOC1 1966878647 QQWKHQGFHKTLNK-JQWIXIFHSA-N 250.298 0.372 10 10 CCCE CCn1cc(CCNC(=O)Cc2ccc(N)cc2)nn1 1967146643 GVSSLDUTMAFAFS-UHFFFAOYSA-N 273.340 0.782 10 10 CCCE N[C@H]1CN(C(=O)c2cccc(O)c2O)CC(F)(F)C1 2127775151 GIZBIELQRPLXKB-SSDOTTSWSA-N 272.251 0.906 10 10 CCCE OC[C@@H]1CN(c2ccc3c(c2)CC[C@H]3O)C[C@@H]1CO 2128320176 AXCVIEGWPIVKBU-TYNCELHUSA-N 263.337 0.703 10 10 CCCE C[C@@]1(CNC(=O)COc2ccc(N)cc2)CC(=O)N1 2141271504 SSKYBDOAYNJDDR-ZDUSSCGKSA-N 263.297 0.042 10 10 CCCE COCCNCc1ccc(N2CC(CO)(CO)C2)cc1 1914983683 ZMGZYYJOPGEEAX-UHFFFAOYSA-N 280.368 0.214 10 10 CCCE COc1ccc(N(C)[C@H](CN)[C@H]2COCCO2)cc1 2134793700 PXRRPDTZXGXTBQ-ZIAGYGMSSA-N 266.341 0.874 10 10 CCCE Nc1ccc(OC[C@@H](O)CN2CC[C@@H](CO)C2)cc1 226439027 BVWJBOUBDCWMOZ-YPMHNXCESA-N 266.341 0.323 10 10 CCCE Cn1ncnc1-c1noc(-c2cccc(O)c2O)n1 1925266018 SBSCQNBKZMELTQ-UHFFFAOYSA-N 259.225 0.943 10 10 CCCE CSC[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 229366447 WOBWWZTYXQSMNF-SCZZXKLOSA-N 284.381 0.835 10 10 CCCE COC[C@@H]1CC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2142434063 MZGXBOXWFLGVQF-IONNQARKSA-N 267.281 0.958 10 10 CCCE CO[C@@H]1CCN(C(=O)[C@@H](N)Cc2ccc(O)c(O)c2)C1 234812191 BZXVWJGBTXIQHT-MNOVXSKESA-N 280.324 0.215 10 10 CCCE CN[C@H](c1ccccc1O)[C@]1(O)CCO[C@@]12CCOC2 2148164577 VZEIZFZQSHVIQB-RBSFLKMASA-N 279.336 0.963 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)CCCC(=O)O 1951696158 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Cn1ccc(NC(=O)[C@@H](N)Cc2ccc(O)c(O)c2)n1 40463991 GEZIULNCFZFEQU-VIFPVBQESA-N 276.296 0.340 10 10 CCCE C[C@H]1CO[C@H](CO)CN1CC(=O)Nc1ccc(N)cc1 167046056 XHMYAHAVMDYGMA-GWCFXTLKSA-N 279.340 0.289 10 10 CCCE C[C@@H]1CN(Cc2cc(N)ccc2O)CC[S@]1=O 2004534696 KZTLLGCMKRCFFF-VVVCHXIZSA-N 254.355 0.927 10 10 CCCE Cn1cnc(S(=O)(=O)NCc2cc(N)ccc2O)c1 52095954 HRNIOFCPNLAWDN-UHFFFAOYSA-N 282.325 0.186 10 10 CCCE COCC[C@@H](N)C(=O)NCc1ccc(N(C)C)cc1 52809729 SKKOIKKDXGUDQH-CYBMUJFWSA-N 265.357 0.733 10 10 CCCE NCc1cc(F)c(N2CC[C@@H]3C(=O)NC[C@@H]3C2)c(F)c1 2157186688 XMBPRIBDCMRHQI-ZJUUUORDSA-N 281.306 0.996 10 10 CCCE NC(=O)c1coc(CNCc2ccc(O)c(O)c2O)n1 2160639953 HKSRYFYUDADTSE-UHFFFAOYSA-N 279.252 0.180 10 10 CCCE C[C@@H](N)CS(=O)(=O)NCc1ccc(N(C)C)cc1 2035451211 AHRVXFRWVBGJGB-SNVBAGLBSA-N 271.386 0.519 10 10 CCCE Nc1ccc(O)c(CN2CCOCCOCC2)c1 2041515630 SAERDIOVEHFTOU-UHFFFAOYSA-N 252.314 0.823 10 10 CCCE COC(=O)NS(=O)(=O)N1CCC[C@H](N=[N+]=[N-])C1 403652756 IMUBDTVPPULSBC-LURJTMIESA-N 263.279 0.362 10 10 CCCE CC(C)n1cc([C@H](NCCN=[N+]=[N-])C(N)=O)nn1 310701620 QZROWTCCKJEYTF-QMMMGPOBSA-N 252.282 0.285 10 10 CCCE CO[C@H]1COCC[C@H]1NCc1ccc(O)c(O)c1 310928095 BQCAOYSEIUHKQN-MFKMUULPSA-N 253.298 0.991 10 10 CCCE CNCc1ccc(N2CCC[C@@](O)(C(N)=O)C2)cc1Cl 312837816 VNFHKDLKQCKISX-AWEZNQCLSA-N 297.786 0.876 10 10 CCCE CCN[C@@H](C)c1ccc(N2C[C@@H](O)C[C@@H](O)C2)cc1O 2161356557 HKNRXNAOQSAOOD-WCFLWFBJSA-N 280.368 0.995 10 10 CCCE CN1CCN([C@H](Cc2ccc(O)c(O)c2)C(=O)O)C1=O 704343770 YKRHDKRLQAQQCI-SECBINFHSA-N 280.280 0.461 10 10 CCCE C[C@@H](NC[C@]1(O)CCN(C)C1)c1ccc(O)cc1O 705669599 RSSZSAIMBISAKJ-QMTHXVAHSA-N 266.341 0.815 10 10 CCCE C[C@@H](c1nn[nH]n1)N(C)S(=O)(=O)Cc1ccc(N)cc1 707219569 DAIXIORQPBQJDY-QMMMGPOBSA-N 296.356 0.305 10 10 CCCE NC(=O)N[C@@H]1CCN(c2ccc([N+](=O)[O-])c(CO)c2)C1 690739666 KPAPHSGTLFPDNL-SECBINFHSA-N 280.284 0.334 10 10 CCCE O=C(N[C@@H]1CCCCC12OCCO2)c1cc(O)nc(O)c1 716032120 HLZQUNYGUJNMJC-SNVBAGLBSA-N 294.307 0.908 10 10 CCCE CC1(C)CN(C(=O)c2ccc(O)c(O)c2)C[C@H]1N 387992985 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Cc1cc(CO)ccc1N1CC[C@@H](O)C[C@H]1CO 2080491444 HDIDYMQJLXQHBB-QWHCGFSZSA-N 251.326 0.809 10 10 CCCE OC[C@H]1CO[C@@H](CNCc2ccc(O)c(O)c2O)C1 2101331425 KOMUCWZQFAKZSX-WCBMZHEXSA-N 269.297 0.290 10 10 CCCE C[C@H](c1ccc(O)cc1O)N1C[C@H](N)[C@@H]2COC[C@@H]21 2102140737 KEJMPNNOYZRNJC-YJRXYDGGSA-N 264.325 0.817 10 10 CCCE C[C@@H](O)c1ccc(N2CC[C@@H](N3CC(O)C3)C2)cc1 2102519568 HTPYPKNHKHPJTH-BXUZGUMPSA-N 262.353 0.995 10 10 CCCE CN(C)c1ccc([C@H](N)[C@H]2CN3CCN2CC3)cc1 2106794766 ZQPCDHRGOUCYDG-CABCVRRESA-N 260.385 0.752 10 10 CCCE C[C@@H](c1cc(F)ccc1O)N1CC(=O)NC[C@H]1C(=O)O 2201034746 AJIJSJBJJIHUHS-XVKPBYJWSA-N 282.271 0.477 10 10 CCCE NC[C@]12CC[C@@H]1CN(C(=O)Cc1ccc(O)c(O)c1)C2 2201354796 GMJAYCNSTLAVTK-ABAIWWIYSA-N 276.336 0.838 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N(C)[C@H]3C[C@H](O)C3)cc21 2122885015 WSPCXZLKFUQDIC-GIPNMCIBSA-N 261.325 0.622 10 10 CCCE NCC1(CO)CCN(C(=O)Nc2ccc(N)cc2)CC1 2202914611 XEPCLMDENLAQPL-UHFFFAOYSA-N 278.356 0.834 10 10 CCCE CN(CC1COC1)c1ccc2c(c1)N(C)C(=O)[C@@H]2N 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CCOc1ccc(O)c(CN[C@](C)(CO)C(=O)OC)c1 894974416 DMCSJIWXQVVFAB-CQSZACIVSA-N 283.324 0.805 10 10 CCCE O=C(CN1CCC[C@H](CO)C1)c1ccc(O)c(O)c1 49934105 WGRJOVHXJCYQLU-JTQLQIEISA-N 265.309 0.985 10 10 CCCE C[C@@H]1C[C@H](CO)CN1C(=O)Cc1ccc(O)c(O)c1 1964965781 PNVZRKIEYLFDLZ-KOLCDFICSA-N 265.309 0.870 10 10 CCCE Nc1ccc(N2CCN(C(=O)CCC(=O)O)CC2)cc1 82689635 NWIUAEAPIFDSJA-UHFFFAOYSA-N 277.324 0.782 10 10 CCCE COc1cccc([C@@H](N)c2nnc(C3CNC3)o2)c1O 83547365 QOIXQSVGRFWGMM-SNVBAGLBSA-N 276.296 0.519 10 10 CCCE CS(=O)(=O)N1CCC[C@H](C(=O)NCCN=[N+]=[N-])C1 706394268 YWSLPXLQCBTHIA-QMMMGPOBSA-N 275.334 0.085 10 10 CCCE CC(=O)N1CCC[C@@H]1C(=O)NCc1cc(N)ccc1O 708832598 BFEFUDCKAMKUBD-GFCCVEGCSA-N 277.324 0.602 10 10 CCCE [N-]=[N+]=NCCN[C@@]1(C(=O)O)CCCS(=O)(=O)CC1 694764826 FPPCIPBLTHZEGW-VIFPVBQESA-N 276.318 0.308 10 10 CCCE O=C(O)[C@@H]1OCC[C@@H]1CNCc1ccc(O)cc1O 716292763 UVWWVFYCPWWUBM-BXKDBHETSA-N 267.281 0.677 10 10 CCCE COC[C@](C)(CO)NC(=O)Cc1ccc(N)cc1 716859200 BWIHVAGJEXNXGT-ZDUSSCGKSA-N 252.314 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COC(=O)C1(C(=O)NCc2cc(O)ccc2O)CC1 1651225228 AXRMFISSNFRQRE-UHFFFAOYSA-N 265.265 0.667 10 10 CCCE O=C1NCC2(CN(C(=O)c3c(F)ccc(O)c3O)C2)O1 1651082846 QOZPGRHVLGQVHS-UHFFFAOYSA-N 282.227 0.171 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N(C)C3CC(O)C3)ccc21 1914595343 AFSLQCAPYLOPRC-SRHKJQAYSA-N 261.325 0.859 10 10 CCCE COC(=O)CN(C)c1ccc2c(c1)NC(=O)CO2 258869288 GPKJCIXNOOBKDR-UHFFFAOYSA-N 250.254 0.627 10 10 CCCE N[C@@H]1C[C@@H]2[C@@H]1CCN2C(=O)c1cc(O)c(O)c(O)c1 2132399229 DKXHNXUARMVPBJ-IWSPIJDZSA-N 264.281 0.365 10 10 CCCE O=C(N[C@@H]1[C@H]2CCOC[C@H]21)c1cc(O)c(O)c(O)c1 2132417891 GICOHSNOGXFFOY-VAOFZXAKSA-N 265.265 0.568 10 10 CCCE NC[C@]1(F)CCN(C(=O)c2cccc(O)c2O)C1 1917101352 UKHZVBBUWIZRST-GFCCVEGCSA-N 254.261 0.611 10 10 CCCE C[C@H](O)c1ccc(N(C)[C@H]2CCNC2=O)c([N+](=O)[O-])c1 1916801487 MJQLFNFHXYPBHN-KWQFWETISA-N 279.296 0.973 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1NC[C@H]2C[C@H]21 1906023290 IPYAOZYBDNMEKG-MXWKQRLJSA-N 262.309 0.364 10 10 CCCE O=C(C[C@@H]1CSCCN1)NCCc1ccc(O)c(O)c1 1968739246 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COc1cc(OC)c(N2CCNC[C@H]2CO)c(OC)c1 2287139591 PYIJTFHAKGCZHO-JTQLQIEISA-N 282.340 0.483 10 10 CCCE NCc1ccc(N2C[C@@H]3C[C@H]2[C@H](O)[C@H]3O)c(F)c1 2308772078 XLZPGCFRNYJLIE-WTFGDDLMSA-N 252.289 0.215 10 10 CCCE C[P@@]1(=O)C[C@@H](O)[C@H](NCc2cccc(O)c2O)C1 2310007267 SPBAFHAGMLSGQP-RRAIRTEYSA-N 271.253 0.923 10 10 CCCE C/C(=C/C(=O)NCCc1ccc(O)c(O)c1)C(=O)O 2335513205 YTLQSJIXFLHSDK-VURMDHGXSA-N 265.265 0.787 10 10 CCCE NC1CC(C(=O)N2CCc3cc(O)c(O)cc3C2)C1 2341147250 GNKLRUNMOBCRBH-UHFFFAOYSA-N 262.309 0.720 10 10 CCCE C[C@H]1CN(C(=O)c2cc(O)nc(O)c2)C[C@@H](C)O1 170223052 RKZWBLXWKLBSEK-OCAPTIKFSA-N 252.270 0.742 10 10 CCCE COc1ccc(/C=C2/C(=O)NC(=O)N(C)C2=O)c(OC)c1 33285943 NKLSPRRKOUDXQL-POHAHGRESA-N 290.275 0.795 10 10 CCCE NCc1cc(F)c(N2CCC(O)(CO)CC2)c(F)c1 313655022 ORJPLGYEVCJOMF-UHFFFAOYSA-N 272.295 0.747 10 10 CCCE C[C@H]1CCN(C(=O)c2ccc(O)c(O)c2)[C@@H]1CO 226332310 XHSMCXJTTCMTOJ-WCBMZHEXSA-N 251.282 0.941 10 10 CCCE C[C@H](CCCNC(=O)c1cc(O)nc(O)c1)C(=O)O 229483461 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CFHJHTKTUWIYET-IACUBPJLSA-N 259.353 0.926 10 10 CCCE CC(=O)C(=O)[C@@H](O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 1883929393 XJWGSAYOFQKSPT-ONGXEEELSA-N 287.312 0.141 10 10 CCCE O=C1NC(=O)[C@@]2(CCN(Cc3ccc(Cl)cc3O)C2)N1 1964578835 ICEIEWSJYVTLKM-ZDUSSCGKSA-N 295.726 0.830 10 10 CCCE COC(=O)C1(CS(=O)(=O)NCCN=[N+]=[N-])CC1 1964004545 PKCZHGZOCAJCFX-UHFFFAOYSA-N 262.291 0.169 10 10 CCCE C=CC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 40225776 CEKWUGOTLCGXCH-MRVPVSSYSA-N 251.238 0.396 10 10 CCCE [N-]=[N+]=NC[C@H]1CCN(C(=O)N[C@H]2CCS(=O)(=O)C2)C1 1893243712 OZRIHXSIEJJUKV-BDAKNGLRSA-N 287.345 0.515 10 10 CCCE C[C@H](CC(=O)NCc1cccc(O)c1O)NC(N)=O 1176576418 LLYHSJYWLVHKNU-SSDOTTSWSA-N 267.285 0.161 10 10 CCCE O=C(N[C@H]1C[C@H]2CN[C@@H](C2)C1)c1ccc(O)c(O)c1 709371587 PZWWVIHDKMMMNX-LSJOCFKGSA-N 262.309 0.968 10 10 CCCE Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NC(C(N)=O)C(N)=O 695319428 GPRVSHGHRMSGAS-SFYZADRCSA-N 277.324 0.178 10 10 CCCE CCN1C[C@H](C(=O)NCc2cccc(O)c2O)CC1=O 1263894756 UNEVCMRSVNVPLW-SNVBAGLBSA-N 278.308 0.582 10 10 CCCE Cc1cc(CN)ccc1N1C[C@H]2C[C@@H](O)[C@H](O)[C@H]1C2 2116708758 XZYADORTIVXNPT-NMFUWQPSSA-N 262.353 0.774 10 10 CCCE CC(=O)N1CC[C@@](O)(CN)Cc2cc(N(C)C)ccc21 212290200 WFZGRBSTIQXILZ-HNNXBMFYSA-N 277.368 0.742 10 10 CCCE CN[C@@H](C)c1ccc(N2CC3(CNC(=O)N3)C2)cc1 2121209158 NGRJELHGAZJCLV-JTQLQIEISA-N 260.341 0.839 10 10 CCCE Nc1ccc(CS(=O)(=O)NCc2cncnc2)cc1 2122297914 YNVJVXYCVAWMAT-UHFFFAOYSA-N 278.337 0.678 10 10 CCCE C[C@H](CC[S@@](C)=O)NC(=O)Cc1ccc(O)c(O)c1 1544807996 PTKYXVZVAFFOGR-AYLIAGHASA-N 285.365 0.914 10 10 CCCE COC1(CN)CC(C(=O)NCc2ccccc2O)C1 2122908589 KHLDTLYXKVAJQV-UHFFFAOYSA-N 264.325 0.762 10 10 CCCE C[C@@H]1c2nncn2CCN1C(=O)Cc1ccc(O)c(O)c1 1634079327 AREBLUAXNCFQOQ-SECBINFHSA-N 288.307 0.835 10 10 CCCE COc1cccc(CNC(=O)c2nc3ncccn3n2)c1O 1636061884 ZZJLEVKAHSFPLZ-UHFFFAOYSA-N 299.290 0.769 10 10 CCCE CN(c1ccc(CN)c(F)c1F)[C@@H]1CCNC1=O 1916796325 AODQTQWEFJOIRB-SECBINFHSA-N 255.268 0.748 10 10 CCCE CCOC(=O)[C@H](O)CNCc1ccc(N(C)C)cc1 2139466641 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Oc1ccc(CN[C@H]2CCO[C@]23CCOC3)c(O)c1O 2144690979 FTXIUAQJBURWQG-FZMZJTMJSA-N 281.308 0.841 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3C[C@H](O)C(F)(F)C3)ccc21 2152096395 NVVSAEWQTASMEP-QWRGUYRKSA-N 283.278 0.715 10 10 CCCE Cn1c(NCCc2ccc(N)cc2)cc(=O)n(C)c1=O 2145076614 RACUGVGKRIGIEU-UHFFFAOYSA-N 274.324 0.321 10 10 CCCE CCN(Cc1ccc(N)cc1)[C@H](C)C(=O)NC(N)=O 35364055 QEOFEBXTMVPREX-SECBINFHSA-N 264.329 0.674 10 10 CCCE [N-]=[N+]=NCC1(CNC(=O)[C@H]2CCS2(=O)=O)CC1 2006017637 BHIPYWRFKSYSQU-SSDOTTSWSA-N 258.303 0.380 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3C[C@@H]4OCCO[C@@H]4C3)ccc21 2149770953 PPMVIQVEORTZMN-FRRDWIJNSA-N 275.308 0.243 10 10 CCCE CCN(c1ccc(N)cc1)S(=O)(=O)N1CCC[C@H]1CO 2161840882 PNKMRQORUARHJL-ZDUSSCGKSA-N 299.396 0.797 10 10 CCCE C[C@@H]([C@@H](O)Cc1ccc(N)cc1)S(=O)(=O)N(C)C 2029028124 VSPCRHPWFQDMSP-CABZTGNLSA-N 272.370 0.452 10 10 CCCE NN[C@@H](C[C@@H]1CCS(=O)(=O)C1)c1ccccc1O 2029556251 QIQQUFWVAOHUMK-ONGXEEELSA-N 270.354 0.721 10 10 CCCE C[C@@H]1CC(=O)CN(C(=O)c2cc(O)nc(O)c2)C1 2031845969 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NC(=O)C[C@H]1CCN(c2cc3c(cc2N)OCCO3)C1 690712675 KBMKJBNZMFWSAJ-SECBINFHSA-N 277.324 0.742 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@H]3O 380199512 DTGKHAZPIXOBKB-GJALGMCSSA-N 276.292 0.334 10 10 CCCE COc1cc(N)c(N2C[C@@H](OC)C[C@@H]2CO)cc1OC 380665228 UVAYUUPELTWYLV-ZJUUUORDSA-N 282.340 0.872 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCN1S(=O)(=O)c1cccnn1 712809548 LKAQPBXYGCTRER-QMMMGPOBSA-N 268.302 0.940 10 10 CCCE CNC(=O)CC1CN(c2cc3c(cc2N)OCCO3)C1 382083112 JJBNJNXIBUBVTG-UHFFFAOYSA-N 277.324 0.612 10 10 CCCE COC(=O)C1(NCCCN=[N+]=[N-])CC(S(C)(=O)=O)C1 716070221 ABWDCJKAQAQTST-UHFFFAOYSA-N 290.345 0.395 10 10 CCCE N[C@@H]1CC[C@@H]2CN(C(=O)c3ccc(O)c(O)c3)C[C@@H]21 388672016 CSDXAJONHRQQNS-OUAUKWLOSA-N 262.309 0.907 10 10 CCCE CNC(=O)NCCN[C@H](C)c1c(O)cccc1O 397401162 HTEGNCXTCSPLGC-MRVPVSSYSA-N 253.302 0.677 10 10 CCCE Nc1ccc(CCCN2C[C@H](O)[C@H](CC(=O)O)C2)cc1 2179711266 VPDCYERVXKWDLI-OCCSQVGLSA-N 278.352 0.969 10 10 CCCE Nc1ccc(NC(=O)N2CC[C@@]3(CNC(=O)N3)C2)cc1 2177694234 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[N-]=[N+]=N[C@H]1[C@H](O)[C@H](O)[C@@H](CO)O[C@H]1OCc1ccccc1 255991393 NZPDOBJGGCDISD-RXGFPQBGSA-N 295.295 0.321 10 10 CCCE CC(=O)C(=O)COC(=O)[C@H](C)OC[C@H]1CCCO1 808509811 VUGYWIRYEFINDC-VHSXEESVSA-N 258.270 0.272 10 10 CCCE CC(=O)C(=O)COC(=O)c1ccc(N(C)C)nc1 808502193 ZYXSBFIWGMWCRL-UHFFFAOYSA-N 250.254 0.463 10 10 CCCE CCNC(=O)CN(C)c1cc2c(cc1Cl)[C@H](N)C(=O)N2 723170546 HEALHHVWTGIGPZ-LBPRGKRZSA-N 296.758 0.864 10 10 CCCE COC[C@H](N)C(=O)NCc1cnc(SC)s1 2243772442 AYVFNTQKICLBFE-ZETCQYMHSA-N 261.372 0.455 10 10 CCCE CC=CC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 1876224640 HDSNZUYDDVTKLM-SECBINFHSA-N 265.265 0.786 10 10 CCCE O=C(N[C@@H]1C[C@]12CCOC2)c1cc(O)c(O)c(O)c1 1896386382 CJKBCALMYIFIHR-MFKMUULPSA-N 265.265 0.712 10 10 CCCE C[C@@H]1CN(C(=O)CCOc2ccc(N)cc2)CCN1 1876457620 XFPRUALEOMORFM-LLVKDONJSA-N 263.341 0.858 10 10 CCCE C[C@@H]1CN(S(=O)(=O)Cc2ccc(N)cc2)CC[C@@H]1N 1876538884 TWQHDXKWCXCTSX-MFKMUULPSA-N 283.397 0.768 10 10 CCCE Cc1cccc(CN2CC(O)(c3ncnn3C)C2)c1O 895618507 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GQVCSNVUSLNSIF-BDAKNGLRSA-N 275.334 0.383 10 10 CCCE COc1ccc(N2C[C@@H](F)[C@@H](CO)C2)c(CO)c1 2220431487 UERJGFIWVVWLPL-ZYHUDNBSSA-N 255.289 0.954 10 10 CCCE CCCN(CC(N)=O)c1ccc(OC)cc1CN 2220415087 OXGGKUURGFGLPA-UHFFFAOYSA-N 251.330 0.856 10 10 CCCE CN(C(=O)CN1C[C@@H](F)C[C@@H](O)C1)c1ccc(N)cc1 2234671910 TYEHIZSZIWJEMF-GXFFZTMASA-N 281.331 0.636 10 10 CCCE COc1ccc(N2CCOC[C@H]2[C@H](O)CO)c(F)c1F 2235221917 DYANTAUKSHYMBL-VHSXEESVSA-N 289.278 0.532 10 10 CCCE COCC[C@@H](N)CNS(=O)(=O)Cc1ccc(N)cc1 2225571735 PXLPLBKVHDTEJF-GFCCVEGCSA-N 287.385 0.052 10 10 CCCE CC[C@@H]1C(=O)NC(=O)CN1c1ccc(OC)cc1CN 2235962050 ILIHBBGHOAECTP-LLVKDONJSA-N 277.324 0.395 10 10 CCCE CNCc1ccc(N2C[C@@H](CO)C[C@@H](CO)C2)c(F)c1 2236633675 RDMHQIGJMWYZIT-BETUJISGSA-N 282.359 0.972 10 10 CCCE OC[C@H](O)[C@H]1COCCN1c1ccc2c(c1)CCO2 2226755951 YICXFUQYKLTYSC-OLZOCXBDSA-N 265.309 0.180 10 10 CCCE CN(C)c1ccc([C@@H](O)[C@]2(C(=O)O)C=CCN2)cc1 2228856423 MUZASLIYLDOLEK-OCCSQVGLSA-N 262.309 0.769 10 10 CCCE Nc1ccc(CN2C[C@@H]3OC[C@@H](C(=O)O)O[C@H]3C2)cc1 2279763221 ZXXXOJKCTILRBN-AVGNSLFASA-N 278.308 0.322 10 10 CCCE CN1CCc2cc(CNN(C)S(C)(=O)=O)ccc21 2317489630 GCQJEPYOZDMENH-UHFFFAOYSA-N 269.370 0.575 10 10 CCCE C[C@@H](O)c1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CF)c(F)c1 2333233666 IKOIOGGGODEOPQ-KQXJFYCDSA-N 273.279 0.759 10 10 CCCE O=S1(=O)C[C@@H]2CN(Cc3cc(F)cc(F)c3O)C[C@H]21 2336548291 IBALJMHKTSEBGU-GZMMTYOYSA-N 289.303 0.899 10 10 CCCE CN(CC(=O)O)Cc1ccc(N(C)CC(=O)O)cc1 108245361 FQIPPEQTEHNYSR-UHFFFAOYSA-N 266.297 0.724 10 10 CCCE C[C@@H]1C[C@](NCCCN=[N+]=[N-])(C(N)=O)CCN1C 156578727 RMEARZBSMAAMEI-KOLCDFICSA-N 254.338 0.615 10 10 CCCE COC[C@@H](O)CNC(=O)/C=C\c1ccc(N(C)C)cc1 217129754 MVWOVYBUGKZVGE-PIZKADEWSA-N 278.352 0.889 10 10 CCCE COC[C@H](O)CN(C)CCOc1ccc(N)cc1 42483232 RVDGLEIMZGOAFG-GFCCVEGCSA-N 254.330 0.587 10 10 CCCE C[C@H](Cc1ccc(O)c(O)c1)C(=O)NCCCNC=O 96785347 LOMKNDYGBSFRHF-SNVBAGLBSA-N 280.324 0.529 10 10 CCCE COc1ccc(O)c([C@H](C)N2CCNC[C@@H]2C(N)=O)c1 88659026 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CCCE O=C(NCc1c(O)cccc1O)[C@@H]1COCCO1 1472064016 RUBQRBBVYSQUCT-NSHDSACASA-N 253.254 0.129 10 10 CCCE CN(C)c1nc(CN2CC[C@H](N=[N+]=[N-])C2)nc(=N)[nH]1 1912186071 ZGHLMKAJZLRVTE-ZETCQYMHSA-N 263.309 0.235 10 10 CCCE CCCNC(=O)CN(C)C(=O)CN1CC[C@H](N=[N+]=[N-])C1 1912197826 YYWXNWJGZAFYDF-JTQLQIEISA-N 282.348 0.356 10 10 CCCE [N-]=[N+]=NCCCN[C@H](C(N)=O)c1cn(CC2CC2)nn1 1912172455 FDUMRFWDUYREHT-JTQLQIEISA-N 278.320 0.505 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)[C@H]1CCS1(=O)=O 1912158488 XTECONCDPKACPF-JGVFFNPUSA-N 258.303 0.475 10 10 CCCE COc1cc([C@](C)(NCCN=[N+]=[N-])C(N)=O)sn1 1912167797 PKWYFERZFVQTCM-VIFPVBQESA-N 270.318 0.752 10 10 CCCE CN(C)C(=O)NCCN(C)C(=O)Cc1ccc(O)c(O)c1 1631847221 FFQXGIJMPXHEIZ-UHFFFAOYSA-N 295.339 0.370 10 10 CCCE Cc1cnc(CNC(=O)Cc2ccc(O)c(O)c2)[nH]1 1630854680 SJLLAAVPFPZTFE-UHFFFAOYSA-N 261.281 0.988 10 10 CCCE CN(Cc1ccccc1O)C(=O)C[C@H](N)C(=O)O 1913915268 SAUOKXFJYNOFOF-VIFPVBQESA-N 252.270 0.153 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@H](CN)[C@H]1CCOC1 1966851740 WEIHYTOFEKJOJV-QWHCGFSZSA-N 278.352 0.962 10 10 CCCE N[C@H]1C[C@@H]2CN(C(=O)c3ccc(O)c(O)c3)C[C@@H]2C1 2128759974 STDSMIFUEKITNQ-URLYPYJESA-N 262.309 0.907 10 10 CCCE COc1c([C@@H](NCCN=[N+]=[N-])C(=O)O)c(C)nn1C 158483025 HDWHXVONABVQBU-MRVPVSSYSA-N 268.277 0.763 10 10 CCCE COc1ccc(N(C)C[C@H](N)CO)c(OC)c1C 258898140 HNBZITYLYJVIGR-JTQLQIEISA-N 254.330 0.768 10 10 CCCE CN(c1ccc2c(c1)NC(=O)CO2)[C@H](CO)CCO 258853113 YYSBJPHOFZCUAE-JTQLQIEISA-N 266.297 0.197 10 10 CCCE O=C1C[C@@H](NCc2ccc(O)cc2O)[C@@H]2CCCN12 2131980537 VYRWIJDUKOAAHA-NEPJUHHUSA-N 262.309 0.951 10 10 CCCE Nc1ccc(-n2nnc(C(=O)NC[C@H]3CCCO3)n2)cc1 1857878531 GDMNEIPJYIYLDA-LLVKDONJSA-N 288.311 0.153 10 10 CCCE CC(=O)N[C@H](CNCc1cccc(C)c1O)C(=O)O 2139761430 YCRAYQQHKOGANE-LLVKDONJSA-N 266.297 0.380 10 10 CCCE CN(C)c1ccc(CNC[C@H]2CCS(=O)(=O)N2)cc1 1967792462 CUUMBZNNABHDJX-GFCCVEGCSA-N 283.397 0.534 10 10 CCCE Cc1nccc(-c2noc(-c3nnsc3N)n2)n1 1923196359 XFUJLRIZJKYRFF-UHFFFAOYSA-N 261.270 0.936 10 10 CCCE Nc1ccc(CO[C@H]2CC(CO)(CO)C[C@H]2O)cc1 2141459788 AXVQIZUUHINOJP-OLZOCXBDSA-N 267.325 0.280 10 10 CCCE C[C@H](N)c1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CF)cc1O 2140661672 IEDUKZOLBRAJNB-QNWTXNENSA-N 270.304 0.292 10 10 CCCE CC[C@@H]1C(=O)NC(=O)CN1c1ccc(CN)c(F)c1F 234127251 MKOPSDPKWNAQNX-MRVPVSSYSA-N 283.278 0.665 10 10 CCCE N[C@]1(C(=O)NCc2ccccc2O)CCCOC1 1969153659 BIPIZQNCHHVFMU-CYBMUJFWSA-N 250.298 0.516 10 10 CCCE Nc1ccc2c(c1)CCC(=O)N2C(=O)C=CC(=O)O 1951317006 PCIKVRRZHBFRMC-UHFFFAOYSA-N 260.249 0.715 10 10 CCCE Nc1cc2c(cc1N1C[C@@H]3C[C@H](O)[C@H]3C1)CCC(=O)N2 2151403575 OGNSAWJKFIETLF-BHDSKKPTSA-N 273.336 0.971 10 10 CCCE CCNC(=O)CN(CCCN)c1ccc(OC)cc1 37298605 XADIOMZYZFPEPQ-UHFFFAOYSA-N 265.357 0.987 10 10 CCCE CNCc1ccc(N2C[C@]3(CO)C[C@]3(CO)C2)cc1C 2146322334 ZKBHUUUATWQNEJ-IYBDPMFKSA-N 276.380 0.896 10 10 CCCE CN(C(=O)COC[C@H]1COCCO1)c1ccc(N)cc1 2154025727 KXOACZRDVMHXOE-CYBMUJFWSA-N 280.324 0.664 10 10 CCCE O=c1c2c(ccn1C[C@@H](O)C[C@@H]1CCCO1)CCNC2 2155679338 TYKKRMDGLHZLPP-STQMWFEESA-N 278.352 0.424 10 10 CCCE NCc1ccc(N2CCN3C[C@@H](O)C[C@@H]3C2)cc1F 405255985 KPWCJNVSWYVJHL-OLZOCXBDSA-N 265.332 0.540 10 10 CCCE Cc1noc(CN(C)c2ccc3c(c2)NC(=O)[C@H]3O)n1 2160369489 OIVZVLSLWMPMGR-LBPRGKRZSA-N 274.280 1.000 10 10 CCCE CCN(C)C[C@@H](O)COC(=O)Cc1ccc(N)cc1 311673310 HSOYOMFDIUCDNL-CYBMUJFWSA-N 266.341 0.667 10 10 CCCE Nc1ccc(OC[C@@H](O)CN2CCO[C@@H](CF)C2)cc1 2172042399 VLWAWVHAQHUUDB-JSGCOSHPSA-N 284.331 0.679 10 10 CCCE NCc1ccc(N2CCC(NC(N)=O)CC2)c(F)c1 702152665 ZECPFBOZJXYZPZ-UHFFFAOYSA-N 266.320 0.922 10 10 CCCE CO[C@H](C(=O)O)C1CN(C(=O)Cc2ccc(N)cc2)C1 2172371363 XAQSYUHMRVPIEW-ZDUSSCGKSA-N 278.308 0.369 10 10 CCCE CC[C@H](CO)N(C)C[C@H](O)COc1ccc(N)cc1 379053570 LJRMNHYHKTZJPR-OLZOCXBDSA-N 268.357 0.711 10 10 CCCE CCn1cc([C@H](NN)c2ccc(N(C)C)cc2)nn1 707835334 HKJTWLBGYZBKRQ-CYBMUJFWSA-N 260.345 0.917 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)[C@H]1CCCC(=O)N1 709674464 GFMPFVVRIBYBLC-DTWKUNHWSA-N 251.290 0.956 10 10 CCCE C[C@@H](O)c1ccc(N(C)C[C@@H](O)CN(C)C)cc1O 690298920 AHLINVPYFXFLBD-PWSUYJOCSA-N 268.357 0.804 10 10 CCCE COc1ccc(CN[C@@H]2CS(=O)(=O)C[C@@H]2C)c(O)c1 711654509 MMWJHPVDQPAPJB-JOYOIKCWSA-N 285.365 0.924 10 10 CCCE COc1ccc(N2CC[C@](O)(C(N)=O)C2)c([N+](=O)[O-])c1 380478500 KLLIZFMIPJJUHP-GFCCVEGCSA-N 281.268 0.030 10 10 CCCE C[C@@H](NCCCc1nn[nH]n1)c1cc(O)ccc1O 392563988 ALWSJDICNDNGBB-MRVPVSSYSA-N 263.301 0.894 10 10 CCCE O=C(c1cccc(O)c1O)N1CCC[C@](O)(C(=O)O)C1 386395083 CNHKAINEBOANTM-CYBMUJFWSA-N 281.264 0.150 10 10 CCCE C[C@H](CNCc1cc(Cl)ccc1O)S(N)(=O)=O 398234117 KKBOELHOEREHAG-SSDOTTSWSA-N 278.761 0.812 10 10 CCCE CC1(C(=O)NCc2c(O)cc(O)cc2O)COC1 2062619814 YYKYIAFPPVIFHZ-UHFFFAOYSA-N 253.254 0.456 10 10 CCCE Cc1cc(O)n2ncc(C(=O)N[C@@H]3CCC[C@H]3O)c2n1 2063083189 VWGIFWJXBYZMRE-NXEZZACHSA-N 276.296 0.387 10 10 CCCE Cc1cc(O)n2ncc(C(=O)NC[C@@H]3CCCOC3)c2n1 2063953886 LVFALJLPMZFMOZ-JTQLQIEISA-N 290.323 0.900 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N3CC[C@H]4C[C@@]4(O)C3)ccc21 2171030097 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CCCE NCC12CC(CNC(=O)Nc3ccc(N)cc3)(CO1)C2 2191530217 NJIFKWQGDXHUES-UHFFFAOYSA-N 276.340 0.898 10 10 CCCE [N-]=[N+]=NCCCCN1CCN2C(=O)[C@@H](N)C[C@@H]2C1 2054252091 BAWKTHDRXPWRGT-ZJUUUORDSA-N 252.322 0.321 10 10 CCCE NC(=O)c1cccc(N)c1N[C@@H]1[C@@H]2C[C@@H]3[C@@H]1NC[C@@H]3C2 2191738420 LGVILAZBBOYENB-LSKVXTQPSA-N 272.352 0.776 10 10 CCCE O=C(O)[C@H]1[C@H]2[C@@H]1OCCN2Cc1c(O)cccc1F 2104492858 SVQJDKGBJJUHSQ-SDDRHHMPSA-N 267.256 0.815 10 10 CCCE C[P@]1(=O)C[C@@H](O)[C@H](NCc2ccc(O)cc2O)C1 2057711464 ZMVCJNFPYRABJU-AJLCLMPTSA-N 271.253 0.923 10 10 CCCE CC(C)N(CCN)C(=O)c1cc(O)c(O)c(O)c1 2068624432 PKGYNYAPKSHKLD-UHFFFAOYSA-N 254.286 0.613 10 10 CCCE O=C(NCCNC1CC1)c1cc(O)c(O)c(O)c1 2068615293 NPKDOTDHZFPQDZ-UHFFFAOYSA-N 252.270 0.285 10 10 CCCE Nc1ccc(OCC(=O)N2CCO[C@@H]3COC[C@H]32)cc1 2192664656 PFPPCCNPOMMCJO-CHWSQXEVSA-N 278.308 0.274 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@H]2CCN[C@H]2C2CC2)cc1 2196383439 PVZDYDAQSCGNRM-KBPBESRZSA-N 295.408 0.829 10 10 CCCE C[C@]1(O)CCN(c2ccc(CO)cc2)C[C@@]1(C)O 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CN(CC(C)(CO)CO)c1ccc2c(c1)NC(=O)[C@H]2O 689294181 HWQHIKPEFDVQES-LBPRGKRZSA-N 280.324 0.099 10 10 CCCE C[C@]1(CO)C[C@@H](O)CN1c1c(F)cc(CO)cc1F 698158746 WJGYHWZNKGYALR-NOZJJQNGSA-N 273.279 0.779 10 10 CCCE CO[C@@H]1CCOC[C@@H]1NCc1cccc(O)c1O 724906084 JEUJNNIHMFWUNY-CMPLNLGQSA-N 253.298 0.991 10 10 CCCE CN(C)c1ccc(CNS(=O)(=O)CC2CC(N)C2)cc1 2173379944 SPQVXNZAHZHBTI-UHFFFAOYSA-N 297.424 0.909 10 10 CCCE C[C@H](C[S@](C)=O)N(C)c1ccc2c(c1)N(C)C(=O)[C@H]2N 398897763 ARMLOIQAHRORSY-PDXJJUDESA-N 295.408 0.866 10 10 CCCE NC[C@H](CC(=O)NCCc1ccc(O)c(O)c1)C(F)F 2179961247 ACQWJNGJWWGUGC-VIFPVBQESA-N 288.294 0.987 10 10 CCCE COC(=O)[C@@H]1C[C@H]1C(=O)NCCc1ccc(N)cc1 832658857 DQHUQVGOCJKAQA-VXGBXAGGSA-N 262.309 0.737 10 10 CCCE CN1CCc2cc(CN[C@@H]3[C@H]4CS(=O)(=O)C[C@H]43)ccc21 2174644587 RDZUBBKAXYTZET-NHAGDIPZSA-N 292.404 0.812 10 10 CCCE CCN(C(=O)Nc1ccc(N)cc1)[C@@H]1CC(=O)NC1=O 2171205554 QZIHLYRBCMWSHS-SNVBAGLBSA-N 276.296 0.538 10 10 CCCE CCN1CCN(C(=O)c2cc(O)c(O)c(O)c2)C[C@H]1C 2188867531 CFNUPCQNVQLTKU-SECBINFHSA-N 280.324 0.970 10 10 CCCE NC[C@]12CCC[C@H]1CCN2C(=O)c1cc(O)nc(O)c1 2197350173 ZCKAWDPQHMJBNU-IINYFYTJSA-N 277.324 0.836 10 10 CCCE CNC(=O)[C@@H]1COCCN1c1ccc2c(c1)CC[C@H]2O 2184741130 FHIZGAYIXCQAHK-UONOGXRCSA-N 276.336 0.617 10 10 CCCE O=C1NC(=O)[C@H](C2CN(c3ccc(CO)c(Cl)c3)C2)N1 2184961054 DRNOQCQPXHQCJZ-NSHDSACASA-N 295.726 0.477 10 10 CCCE CCOC[C@](O)(CN)c1ccc2c(c1)CCN2C 2044709212 VMOZQODIVYYNQE-CQSZACIVSA-N 250.342 0.862 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CCO[C@@H]2C[C@H](O)C[C@H]21 2185338253 UHZBINPLSNNIQL-GIPNMCIBSA-N 279.292 0.462 10 10 CCCE NCc1ccc(N2CC[C@H]3OCC(=O)N[C@H]3C2)c(F)c1 2185523715 YIQLCEDTDKMRJA-WCQYABFASA-N 279.315 0.378 10 10 CCCE COc1ccc(CN2CCO[C@H]3CCNC[C@H]32)c(O)c1 2185544257 JHUAOTYQINYPIZ-HIFRSBDPSA-N 278.352 0.964 10 10 CCCE CN1CC[C@H](CCNC(=O)c2cccc(O)c2O)C1=O 2194702865 DGAGYEFCPAPWCZ-VIFPVBQESA-N 278.308 0.696 10 10 CCCE Nc1ccc(OCCS(=O)(=O)N[C@@H]2CCC[C@@H]2N)cc1 2191624295 JNRJYVHTXMTJAO-QWHCGFSZSA-N 299.396 0.447 10 10 CCCE Nc1ccc(-n2ccc(C(=O)NC3CC(N)C3)n2)cc1 2191748227 SLVUWPOEIWYHFO-UHFFFAOYSA-N 271.324 0.674 10 10 CCCE COc1ccc(N2C[C@H](O)[C@H](O)C2(C)C)c(N)c1 2060878430 IEBPHVIZPNPUIW-RYUDHWBXSA-N 252.314 0.598 10 10 CCCE CN(c1ccc2c(c1)CC[C@@H]2N)C1CS(=O)(=O)C1 2065083018 IZJBOZVUUYPIII-ZDUSSCGKSA-N 266.366 0.866 10 10 CCCE C[C@H](C(=O)NC(N)=O)N(C)Cc1ccc(N(C)C)cc1 2195475067 AQRCQIBNVQRBBR-SNVBAGLBSA-N 278.356 0.768 10 10 CCCE NC[C@@H](C[C@@H]1CCOC1)NC(=O)c1ccc(O)c(O)c1 2195505044 PORFTCPJUFEDNX-GXSJLCMTSA-N 280.324 0.582 10 10 CCCE COCC(CCn1ccc2c(c1=O)CNCC2)COC 2187492096 CSLQFBDEDPUVMW-UHFFFAOYSA-N 280.368 0.793 10 10 CCCE Oc1cc2c(cc1CNO[C@H]1CCOC1)OCO2 2072975507 MGHBPRDRYAYJJU-VIFPVBQESA-N 253.254 0.931 10 10 CCCE NCc1cc(F)c(N2C[C@H](O)[C@H]3COC[C@@H]32)c(F)c1 2102186309 FLGZBKMXUHYNGP-UWJYBYFXSA-N 270.279 0.619 10 10 CCCE CN(Cc1ncon1)c1ccc2c(c1)NC(=O)[C@@H]2N 2104161197 LHMLBMAJPBLJRS-LLVKDONJSA-N 259.269 0.658 10 10 CCCE Cc1cccc(O)c1CN1CC(N2CCNCC2)C1 2104484018 MZYKKAPVQYMBMV-UHFFFAOYSA-N 261.369 0.790 10 10 CCCE C[C@H](N)c1ccc(N2CC[C@@H](OCC(N)=O)C2)cc1 2089132176 YXDVEBMNOCGRPU-GXFFZTMASA-N 263.341 0.787 10 10 CCCE NCCCCS(=O)(=O)Nc1ccc(O)cc1[N+](=O)[O-] 2089839618 OWANWNZGIIVPBC-UHFFFAOYSA-N 289.313 0.781 10 10 CCCE C[C@]1(CO)COCCN1C(=O)c1ccc(O)c(O)c1 2112755707 YDDFQYPGEZOSIN-ZDUSSCGKSA-N 267.281 0.321 10 10 CCCE C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1cnn[nH]1 2112716618 SABPKGDQWXPYRM-SSDOTTSWSA-N 262.269 0.636 10 10 CCCE Nc1ccc(O)c(CN2CCN(C3COC3)CC2)c1 2113275387 GPRRLFNIHGFOIV-UHFFFAOYSA-N 263.341 0.491 10 10 CCCE CN1C(=O)[C@@H](O)c2ccc(N3C[C@@H]4C[C@@]4(CO)C3)cc21 2200842655 OVHPJQWCVLZQEP-FGEZKYSXSA-N 274.320 0.515 10 10 CCCE O=C1Nc2cc(N3C[C@H]4C[C@@]4(CO)C3)c(F)cc2[C@H]1O 2200842578 FKCYXLFFKVKWSE-PYSYBHHASA-N 278.283 0.630 10 10 CCCE CSc1ncc(CNCC2CS(=O)(=O)C2)s1 2208767938 GSYUMDQHYBZLFA-UHFFFAOYSA-N 278.424 0.999 10 10 CCCE COc1ccc(N2CCC[C@@](O)(C(N)=O)C2)cc1 2219624196 ITBPVGQRMVULCW-ZDUSSCGKSA-N 250.298 0.512 10 10 CCCE CO[C@H]1[C@H](CO)N(c2ccc([C@H](C)N)cc2)C[C@H]1OC 2233353946 NNLNFZILBRWRPU-HPEDKQMDSA-N 280.368 0.917 10 10 CCCE CC[C@H](N)c1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2COC)cc1 2234062393 ARJFZHIWCAINJC-AJNGGQMLSA-N 280.368 0.653 10 10 CCCE C[C@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)CCCN1 2224779330 NGPOASXYDUBUOS-QMMMGPOBSA-N 266.297 0.627 10 10 CCCE COc1ccc(N2C[C@H]3C[C@@H](O)[C@@H](O)[C@H]2C3)c(CN)c1 2235964907 ARGDKMWXRLHPOP-QUAZDUCUSA-N 278.352 0.474 10 10 CCCE COc1ccc(N2CC[C@](C)(O)[C@@H](O)C2)c(CN)c1 2227680876 CNIPEXNTQAMBQC-KBPBESRZSA-N 266.341 0.476 10 10 CCCE COc1ccc(N2CC[C@H](O)[C@@H](CO)C2)c(CO)c1 2227708750 LWMKJIACKKWMTL-RISCZKNCSA-N 267.325 0.367 10 10 CCCE COc1ccc(N2C[C@H]3NC(=O)O[C@@H]3C2)c(CO)c1 2227712405 YYXFCOUMZRFNIS-ZYHUDNBSSA-N 264.281 0.485 10 10 CCCE COc1ccc(N2C[C@@H](OC)C[C@H]2CO)c(CO)c1 2227712296 XTMDCXDBQBXNBE-AAEUAGOBSA-N 267.325 0.774 10 10 CCCE COC[C@@H]1[C@H](O)[C@@H](O)CN1c1ccc([C@H](C)N)c(C)c1 2285127921 FWSGXBALPMQAGI-PUPMMZHASA-N 280.368 0.572 10 10 CCCE CN[C@@H](C)c1ccc(N2CCOC[C@H]2C(N)=O)cc1C 2285134374 RONCLBKMWYFGSO-FZMZJTMJSA-N 277.368 0.966 10 10 CCCE Nc1ccc(OCCC(=O)N[C@@H]2[C@@H]3CN[C@H]2C3)cc1 2333046662 FAONDCNAARDNIH-DUFXMDAXSA-N 261.325 0.514 10 10 CCCE O=C(NC[C@H]1C[C@@H]2NCC[C@H]12)c1cccc(O)c1O 2333240709 BATNHCKSJWNOAM-KKZNHRDASA-N 262.309 0.826 10 10 CCCE CN(C)c1ccc(CN[C@]2(C(=O)O)CC[C@H]2N)cc1 2351382634 XXUHFLWBRWEXLU-TZMCWYRMSA-N 263.341 0.787 10 10 CCCE Nc1ccc(OC[C@H](O)CN2CC[C@@H](O)C2)cc1 226991843 HWAITVJMQIWRQD-VXGBXAGGSA-N 252.314 0.075 10 10 CCCE CN1CCO[C@@H](CNC(=O)N(C)Cc2ccccc2O)C1 105281606 GCJFEBUNXZVEAU-ZDUSSCGKSA-N 293.367 0.864 10 10 CCCE C[C@H](NCc1ccc(O)c(O)c1O)c1nn[nH]n1 235509076 FDTVWKSCVKCIRU-YFKPBYRVSA-N 251.246 0.167 10 10 CCCE NC(=O)c1cccc(N)c1NC1CCS(=O)CC1 159008811 IHJTXKWOZSCEDH-UHFFFAOYSA-N 267.354 0.691 10 10 CCCE Nc1ccc(CC(=O)N2CCN(CCC(=O)O)CC2)cc1 40482690 MOKQEJVRYNIFSY-UHFFFAOYSA-N 291.351 0.430 10 10 CCCE C[C@@H](NC[C@@]1(O)CCOC1)c1cc(O)ccc1O 227120038 QVOAHMRCDOLJCN-RNCFNFMXSA-N 253.298 0.900 10 10 CCCE C[C@@H](c1ccc(O)cc1O)N1CCNC[C@@H]1C(=O)N(C)C 89083913 UENQZJWUTTWING-GXFFZTMASA-N 293.367 0.521 10 10 CCCE C[C@H]1CNC[C@H](C)N1C(=O)c1ccc(O)c(O)c1 235586453 BVJUDBRVGFSRRF-IUCAKERBSA-N 250.298 0.920 10 10 CCCE CN[C@@H]1C(=O)Nc2cc(N(C)CCO)c(Cl)cc21 92750611 BKSPHVDIVBPHPY-NSHDSACASA-N 269.732 0.981 10 10 CCCE C[C@H]1OCC[C@H]1NS(=O)(=O)Cc1ccc(N)cc1 149150637 YMZASYVTFAWNKV-BXKDBHETSA-N 270.354 0.866 10 10 CCCE CN1CCN(CC(=O)O)c2cc3c(cc2C1=O)OCCO3 527432102 QKPXGTVZGVHOEI-UHFFFAOYSA-N 292.291 0.434 10 10 CCCE C[C@H]1CCN(CC(=O)c2ccc(O)c(O)c2)[C@H]1CO 299980288 STDFKKYTDQKSFX-ONGXEEELSA-N 265.309 0.983 10 10 CCCE Cc1ccc(C(=O)N2CC(n3ccnn3)C2)c(O)c1O 371670375 LRRFEKJQBFPOHS-UHFFFAOYSA-N 274.280 0.695 10 10 CCCE C[C@]12CN(c3ccc4c(c3)NC(=O)[C@H]4O)C[C@]1(CO)C2 2165492925 XFHYXGYFUIXHME-QEJZJMRPSA-N 274.320 0.881 10 10 CCCE C[C@@H](N)c1ccc(N2CCC[C@@H](CO)[C@H]2CO)cc1O 709795944 SJBJXBYASOUBIY-UHIISALHSA-N 280.368 0.982 10 10 CCCE C[C@@H]1CN(C)C[C@H]([C@H](NN)c2ccc(N(C)C)cc2)O1 2163141877 ZCPFBPZWCDVPHT-KCPJHIHWSA-N 278.400 0.976 10 10 CCCE C[C@@H](C(=O)Nc1ccc(N)cc1)N1CC([C@@H](F)CO)C1 2166905549 LGMCKFCYVMCPHT-ZANVPECISA-N 281.331 0.858 10 10 CCCE C[C@@]1(CN)CCCN1S(=O)(=O)Cc1ccc(N)cc1 1876415068 COMSAZVURPZCHP-ZDUSSCGKSA-N 283.397 0.912 10 10 CCCE C[C@@H]1CCNC[C@@H]1NC(=O)COc1ccc(N)cc1 1876513595 KVSXMIRSFLEWSB-MFKMUULPSA-N 263.341 0.762 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NC[C@H]1CCC[C@H]1O 1963565241 CWLLUBJSRQDGNX-GHMZBOCLSA-N 265.309 0.918 10 10 CCCE Cc1ccc([C@H](N)C(=O)NC[C@H]2CCCO2)c(O)c1 83478199 DFJZUGULFXRNAK-MFKMUULPSA-N 264.325 0.996 10 10 CCCE N[C@H](C(=O)NC[C@H]1CCCO1)c1ccc(O)cc1O 83483724 NITULKXMARCPGV-SKDRFNHKSA-N 266.297 0.393 10 10 CCCE CC[C@@H](CO)NCc1cc(O)c(O)c([N+](=O)[O-])c1 83414046 JXSIWBYRTXBDNF-QMMMGPOBSA-N 256.258 0.867 10 10 CCCE [N-]=[N+]=NCCNC(=O)CNC(=O)c1cccc(F)c1 706098739 MPGYTSMLHHGAIO-UHFFFAOYSA-N 265.248 0.982 10 10 CCCE O=C(NOC[C@@H]1CCOC1)c1c(F)ccc(O)c1O 1183218469 LFBHIFSXGVLMOR-SSDOTTSWSA-N 271.244 0.935 10 10 CCCE C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)c2cccc(O)c2O)CC1=O 1294085498 ZTOPDVUXUZYQIQ-WCABBAIRSA-N 290.319 0.837 10 10 CCCE CC(=O)N1C[C@H](c2ccc(O)c(O)c2)[C@@H](CO)C1 1614805862 ILCSVSFAMAMBOJ-GHMZBOCLSA-N 251.282 0.652 10 10 CCCE CC(C)CCNC(=O)NC(=O)CN1CC(N=[N+]=[N-])C1 1912182784 GUIMADZOEXMZLR-UHFFFAOYSA-N 268.321 0.853 10 10 CCCE C[C@@]12CCC(=O)N1[C@@H](C(=O)N1CC(N=[N+]=[N-])C1)CS2 1912169051 HJOFAGPTXQJSHZ-LDYMZIIASA-N 281.341 0.962 10 10 CCCE C[C@H](CC(=O)NCc1ccc(O)cc1O)NC(N)=O 1639444755 YHIWSOLRTYXIDS-SSDOTTSWSA-N 267.285 0.161 10 10 CCCE C[C@@H](C(=O)NCc1c(O)cccc1O)N1C(=O)CCC1=O 1647270658 WAMWSRASMOHNBN-QMMMGPOBSA-N 292.291 0.252 10 10 CCCE O=C(NCc1cccc(O)c1O)C1=CS(=O)(=O)CCC1 1651175607 FMZWBHCEFFRRNG-UHFFFAOYSA-N 297.332 0.807 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CCC=C[C@H]3CO)ccc21 2125943167 STBIIPNMXRPWDX-GWCFXTLKSA-N 259.309 0.766 10 10 CCCE Nc1ccc(OCC(=O)N[C@H]2CO[C@H]3C[C@@H]2C3)cc1 2126733003 HHDWYIIZVGFTRN-BIMULSAOSA-N 262.309 0.941 10 10 CCCE CN(C)[C@H]1CN(c2ccc3c(c2)CC[C@@H]3O)C[C@@H]1O 2128324247 BMWARZSJKRGZSF-KKUMJFAQSA-N 262.353 0.777 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@H]2COCC2(F)F)cc1 2131098930 WPBGSPNTRUVACM-SNVBAGLBSA-N 292.307 0.722 10 10 CCCE C[C@@H]1C(=O)CCCN1C(=O)c1cc(O)c(O)c(O)c1 2132413040 JKLVVPKVGVBRAB-SSDOTTSWSA-N 265.265 0.997 10 10 CCCE C[S@](=O)CC1CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2132403739 MHBOWJBJPGLIFG-IBGZPJMESA-N 285.321 0.254 10 10 CCCE OC[C@@]12CC[C@@](NCc3cccc(O)c3O)(CO1)C2 2133665053 UCSXYBHKJQGGCY-KBPBESRZSA-N 265.309 0.871 10 10 CCCE C[C@H]1CC(=O)N(CCC(=O)Nc2ccc(N)cc2)C1=O 103973534 VYQPTKAXMVLTJW-VIFPVBQESA-N 275.308 0.992 10 10 CCCE Nc1snnc1-c1nc(-c2ccc(O)nc2)no1 1923220034 SBIMHGKZSSXFKK-UHFFFAOYSA-N 262.254 0.938 10 10 CCCE Nc1ccc(CCCN2C[C@H](O)[C@@H](O)[C@@H]2CF)cc1 2140659302 SFYIFRGQBVAFSL-IHRRRGAJSA-N 268.332 0.577 10 10 CCCE C[C@@H]1CN(C(=O)c2cccc(O)c2O)CC[S@@]1=O 1970332827 OQRQBYISZJQWKC-CVJBHZAOSA-N 269.322 0.691 10 10 CCCE COCCNC(=O)CCNCc1c(C)cccc1O 1968977964 PYSJMBAJTXFFGI-UHFFFAOYSA-N 266.341 0.943 10 10 CCCE Cn1c(O)nnc1Sc1ncc(CCN)s1 1939353445 KPJFSSFERKHVGZ-UHFFFAOYSA-N 257.344 0.630 10 10 CCCE C[C@@H](NC(=O)c1cccc(O)c1O)C(=O)N1CCCC1 126533947 RUGCIWAITAMCRW-SECBINFHSA-N 278.308 0.839 10 10 CCCE N=c1cc(C(=O)NCCc2ccc(O)c(O)c2)nc[nH]1 2148010744 WFNUWQWBVSREFT-UHFFFAOYSA-N 274.280 0.273 10 10 CCCE CCN(CC)c1ccc([C@H]2CNCC(=O)N2)c(O)c1 1952151049 CMWIEPCSNRZIGD-GFCCVEGCSA-N 263.341 0.999 10 10 CCCE COc1cc([C@H]2CCNC(=O)[C@H]2C(=O)O)cc(O)c1O 1952316921 IJHFLODRAXWKSU-XCBNKYQSSA-N 281.264 0.411 10 10 CCCE COC(=O)[C@H](N)C1(c2ccc(O)c(O)c2O)CC1 1952603239 UUKLRFLPWHGIDW-JTQLQIEISA-N 253.254 0.335 10 10 CCCE CN1C(=O)[C@@H](N)c2ccc(N3CCC[C@H](CO)C3)cc21 131350570 MGXDVYYILFXSKM-HZMBPMFUSA-N 275.352 0.872 10 10 CCCE O=C(O)C(F)(F)C1(O)CN(Cc2ccccc2O)C1 1974211823 VHTGVAWJXXWZKS-UHFFFAOYSA-N 273.235 0.659 10 10 CCCE O=c1c2c(ccn1CC[C@H]1CCS(=O)(=O)C1)CCNC2 2150796747 BMSILLQLSNAUSL-NSHDSACASA-N 296.392 0.319 10 10 CCCE NC(=O)CN(Cc1ccc(N)cc1)C(=O)c1cnco1 2149193544 HCQCSEOCDFNABB-UHFFFAOYSA-N 274.280 0.385 10 10 CCCE Cc1cc(NS(=O)(=O)N(C)CCN)ccc1O 1998224796 FYQPSUYXBDWHRI-UHFFFAOYSA-N 259.331 0.248 10 10 CCCE O=S(=O)(C[C@H]1CC[C@H]1O)Nc1ccc(O)cc1 2008742026 PSCNZXKAAAITKJ-LDYMZIIASA-N 257.311 0.905 10 10 CCCE CN(CCN1CCC[C@@H]1CN=[N+]=[N-])S(C)(=O)=O 2009443193 OBNACMPLXLYKLN-SECBINFHSA-N 261.351 0.653 10 10 CCCE CO[C@@H]1C[C@@H](CO)N(C(=O)c2cccc(O)c2O)C1 284792551 JSFWWAGQZFBQDU-DTWKUNHWSA-N 267.281 0.320 10 10 CCCE C[C@H](N[C@H]1CN(C)C[C@@H]1O)c1c(O)cccc1O 2029867568 QSNQBKJHGQSVOT-AUTRQRHGSA-N 252.314 0.423 10 10 CCCE COC[C@](O)(CO)CN[C@@H](C)c1ccc(OC)cc1O 2158617993 HPWJYJNWPNAPQM-IINYFYTJSA-N 285.340 0.421 10 10 CCCE N[C@H]1COCC[C@@H]1C(=O)NCCc1ccc(O)c(O)c1 2159020003 JCMMWWWGBNCOGZ-QWRGUYRKSA-N 280.324 0.120 10 10 CCCE Nc1ccc(NC(=O)CN2CCC[C@@](O)(CO)C2)cc1 313640877 ISXUJRNTFXROFQ-AWEZNQCLSA-N 279.340 0.027 10 10 CCCE CNC(=O)C[C@@H](C)NC(=O)[C@H]1CNc2ccccc2N1 323016446 PTXFBQSBSVJMFY-BXKDBHETSA-N 276.340 0.533 10 10 CCCE CCc1cccc(CN[C@@H]2C[C@H](CO)[C@@H](O)[C@@H]2O)c1O 2177946492 ZCUAKRSSINTPOT-QHSBEEBCSA-N 281.352 0.147 10 10 CCCE COc1ccc(O)c(CN[C@H]2COCC[C@@H]2O)c1 710877869 BUNGCUAKRSYTMA-AAEUAGOBSA-N 253.298 0.640 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@H]3O 380068574 XJLZOVMSSJUUHM-HATUHQCHSA-N 275.304 0.939 10 10 CCCE CN(C(=O)CN1CC[C@@H]2[C@@H](O)C[C@H]21)c1ccc(N)cc1 2178160387 NYNWLWYFETYRQL-MJBXVCDLSA-N 275.352 0.687 10 10 CCCE C[C@@]12C[C@H]1C(=O)N(c1ccc(N)cc1C(=O)O)C2=O 713589252 BIKGPGAAQKHZJX-ISVAXAHUSA-N 260.249 0.866 10 10 CCCE COC(=O)C[C@H](C)NS(=O)(=O)Cc1ccc(N)cc1 381761353 XNBIYEWVLPJPER-VIFPVBQESA-N 286.353 0.640 10 10 CCCE CCNCc1ccc(N2CCC(CO)(CO)C2)cc1 694673901 RBFLZQXINWWDBI-UHFFFAOYSA-N 264.369 0.977 10 10 CCCE C[C@H]1CN(c2ccc([N+](=O)[O-])c(CO)c2)C[C@H]1O 387802744 OUOOWWLBCMWVSS-QPUJVOFHSA-N 252.270 0.904 10 10 CCCE O=C(N[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)O)c1cccc(O)c1O 2174234629 QIBQSHIAQVIRSF-ZYUZMQFOSA-N 277.276 0.937 10 10 CCCE Nc1ccc(NC(=O)N2CCOC[C@H](O)C2)cc1 399901905 NNJPKRHHTSSCIB-LLVKDONJSA-N 251.286 0.494 10 10 CCCE COc1cc(N)c(N2CCOC[C@]2(C)CO)cc1OC 2169065669 FUEHOUSZWPVSFE-AWEZNQCLSA-N 282.340 0.874 10 10 CCCE C[C@@H](N[C@H]1CCn2nnnc2C1)c1cc(O)ccc1O 2175911707 HTTMHFBGLHBSFN-BDAKNGLRSA-N 275.312 0.750 10 10 CCCE COc1ccc(Cn2cc(CO)c(O)n2)c(O)c1 2070673351 XJWFKTLQKVMPIM-UHFFFAOYSA-N 250.254 0.844 10 10 CCCE Nc1cc2c(cc1N1CC=CC[C@@H]1CO)NC(=O)CO2 2176340431 AFFREBXDBFIUAD-SECBINFHSA-N 275.308 0.727 10 10 CCCE O=C(O)CC[C@H]1CCN1C(=O)c1cc(O)c(O)c(O)c1 2188868470 RPTLPDPPAZFXNL-QMMMGPOBSA-N 281.264 0.883 10 10 CCCE CC[C@@H](O)CN(C)C(=O)COc1ccc(N)cc1 2044560812 KMFVOILEJXJTEC-LLVKDONJSA-N 252.314 0.877 10 10 CCCE Nc1ccc(OCC(=O)N[C@@H]2CC[C@@H]3CNC[C@@H]32)cc1 2191748041 QDILCPSZESTYAM-DDTOSNHZSA-N 275.352 0.762 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)C12CC(CCN1)C2 2192523216 JRKYJENZDPQGCE-UHFFFAOYSA-N 276.336 0.899 10 10 CCCE CN1CCCc2cc(CN3C[C@@H](O)C[C@H]3CN)ccc21 2187588433 ZVDZXNYWLCWANO-GJZGRUSLSA-N 275.396 0.963 10 10 CCCE Oc1cccc(F)c1CN1CCN[C@H]2COC[C@H]21 2068824857 BSQOWOPWXHOGMO-NWDGAFQWSA-N 252.289 0.704 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N3CC(C)(CO)C3)ccc21 2101058793 DLZHNGXBYKMRBU-GFCCVEGCSA-N 261.325 0.718 10 10 CCCE NC[C@@H]1CO[C@@H](CNC(=O)c2cccc(O)c2O)C1 2101331792 NNDOATPAYKFGNY-RKDXNWHRSA-N 266.297 0.191 10 10 CCCE CCOc1ccc(N2C[C@@H](C(N)=O)C[C@@H](N)C2)cc1 2106381935 HTSUCYZEYLKHKJ-WDEREUQCSA-N 263.341 0.724 10 10 CCCE CN1CCc2cc([C@H](NN)c3nccn3C)ccc21 2106852208 CKPIDQQWBAYEJY-ZDUSSCGKSA-N 257.341 0.965 10 10 CCCE NC(=O)CO[C@H]1CCN(c2ccc(CO)cc2Cl)C1 2089140004 SJTADOYZNNEWQY-JTQLQIEISA-N 284.743 0.913 10 10 CCCE Nc1ccc(CCC(=O)N2CC([C@@H](F)CO)C2)cc1 2110595077 NKXMQGDDUOYWLF-ZDUSSCGKSA-N 266.316 0.990 10 10 CCCE OCC[C@H]1CN(c2ccc(CO)cc2F)C[C@@H]1CO 2093501635 OPCKJUMHOQUUJD-NWDGAFQWSA-N 269.316 0.745 10 10 CCCE CNC(=O)NC(=O)[C@@H](C)N1CCC[C@@H](N=[N+]=[N-])CC1 2099329400 MPANYGDCLXQUJD-RKDXNWHRSA-N 268.321 0.995 10 10 CCCE C[C@H](NC1CN(CC(=O)O)C1)c1c(O)cccc1O 2113033807 UAKLZVXXWNCPTE-QMMMGPOBSA-N 266.297 0.517 10 10 CCCE COC[C@@H]1[C@H](O)[C@@H](O)CN1c1ccc2c(c1)CC[C@@H]2O 2233880847 ZJDNUNQNKJQNMJ-QPSCCSFWSA-N 279.336 0.223 10 10 CCCE [N-]=[N+]=NC1CN(C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)O)C1 2225793877 ANRQZCJGNMUETQ-BGZDPUMWSA-N 266.257 0.386 10 10 CCCE O=C1Nc2cc(N3C[C@@H]4C[C@H](C3)[C@H]4O)ccc2[C@H]1O 2270713728 HSEBQJINRVKFIE-PTYMLPSESA-N 260.293 0.489 10 10 CCCE CNCc1ccc(N2CC3(CNC(=O)CO3)C2)cc1 2274017729 JELMINGDTMHSOP-UHFFFAOYSA-N 261.325 0.111 10 10 CCCE CO[C@H](C)CS(=O)(=O)CC(=O)Nc1ccc(N)cc1 2268509128 WMPILWLWCWMBEG-SECBINFHSA-N 286.353 0.657 10 10 CCCE Nc1ccc(CC(=O)OC[C@@]2(O)CCOC2)cc1 2314034458 ZBLGHXYKVIBJGS-CYBMUJFWSA-N 251.282 0.506 10 10 CCCE COc1cc(Cl)c(N2CC(O)(CO)C2)c(OC)c1 2319564772 IZGHELUVBBASSJ-UHFFFAOYSA-N 273.716 0.901 10 10 CCCE OCC[C@@H](O)CCNCc1ccc2c(c1)CCO2 2326770033 IZUOKIQOKLSTCB-ZDUSSCGKSA-N 251.326 0.845 10 10 CCCE C[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H]1CCNC1 170042086 XPHHXNRWUCZUFR-ONGXEEELSA-N 264.325 0.755 10 10 CCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCC[C@H]1C(=O)O 40470332 VRYCOWBOWIFJQB-UWVGGRQHSA-N 294.307 0.043 10 10 CCCE Nc1ccc(CCC(=O)N[C@@H](CCO)C(=O)O)cc1 134694175 WVKIYCNIHYQXHV-NSHDSACASA-N 266.297 0.153 10 10 CCCE COC[C@@H](CO)NC(=O)CCc1ccc(N)cc1 228843074 NVZLGSNQHLQUEP-GFCCVEGCSA-N 252.314 0.325 10 10 CCCE O=C(N1CCOCC1)[n+]1ccc(CCCO)cc1 222541271 GOLAOBRRMFTNOG-UHFFFAOYSA-N 251.306 0.199 10 10 CCCE NC[C@@H](N)c1cc(C(=O)O)cc(Br)c1O 95717779 DAHBWSFPIYVIEB-SSDOTTSWSA-N 275.102 0.811 10 10 CCCE [N-]=[N+]=NC[C@@H](O)COC1=CC=C[C@@H]2N=c3ccccc3=C12 604933944 FABPCNCKWOVXHG-MFKMUULPSA-N 282.303 0.981 10 10 CCCE NC(=O)c1cccc(N)c1N[C@@H]1CCCN(CCO)C1 2165031469 ULTCVFCSPVNCFN-SNVBAGLBSA-N 278.356 0.236 10 10 CCCE CC(=O)C(=O)COC(=O)[C@@H](C)NC(=O)CC(C)(C)C 808538970 MODCKCOQTRHOKU-MRVPVSSYSA-N 271.313 0.629 10 10 CCCE COc1ccc(N2[C@H]3CC[C@H]2[C@H](O)[C@@H](O)C3)c(N)c1 2133920695 SBTOIIGLBHFUOE-GZBPVQSJSA-N 264.325 0.740 10 10 CCCE CC(=O)C(=O)COC(=O)C[C@@H](O)Cc1ccccc1 811397854 FFSUTSMWRLJTNI-LBPRGKRZSA-N 264.277 0.681 10 10 CCCE CC[S@](=O)CCNC(=O)NCc1ccccc1O 736658904 ISLHVQQCFBKLAJ-SFHVURJKSA-N 270.354 0.960 10 10 CCCE Cn1cc(C[C@H](O)C(=O)N2Cc3cccc(O)c3C2)cn1 871204480 LCQUHVAZYYGRCK-AWEZNQCLSA-N 287.319 0.572 10 10 CCCE CNCCN(C)S(=O)(=O)N[C@@H](C)c1ccccc1O 1877596384 UVCKPPDVPKLESL-JTQLQIEISA-N 287.385 0.439 10 10 CCCE COc1ccc(CNC(=O)c2ccn3nnnc3c2)c(O)c1 1139033164 ZTARIAMWHIHMDM-UHFFFAOYSA-N 299.290 0.769 10 10 CCCE C[C@H](C(=O)O)S(=O)(=O)CCCOc1ccc(N)cc1 58262737 RMTYQCGUIMQLNB-SECBINFHSA-N 287.337 0.926 10 10 CCCE N[C@H](C(=O)NCc1ncc[nH]1)c1cccc(F)c1O 83462959 LUBXNUGTFUHWKD-JTQLQIEISA-N 264.260 0.571 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC[C@H](N3CCC3)C2)cc1 702271224 KFBHWAIFVYDJBU-AWEZNQCLSA-N 295.408 0.879 10 10 CCCE COCCNCc1ccc(N(C)[C@H]2COC[C@@H]2O)cc1 708105714 PJGPRYQNQLXQTG-GJZGRUSLSA-N 280.368 0.619 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1CC[C@]2(CNCCO2)C1 717599821 JFUWLBCQSHCDLG-AWEZNQCLSA-N 278.308 0.302 10 10 CCCE CN(C[C@H](O)C1CC1)C(=O)c1cc(O)nc(O)c1 690331525 ADBWHPYWWBSBBN-VIFPVBQESA-N 252.270 0.336 10 10 CCCE NC(=O)N[C@H]1CCN(C(=O)Nc2ccc(N)cc2)C1 690753634 FFHWTLNMWBSAMA-JTQLQIEISA-N 263.301 0.543 10 10 CCCE CNCc1ccc(N2C[C@H](O)C[C@]2(C)CO)c(F)c1 698217653 UURJSCOPRSKFNE-BXUZGUMPSA-N 268.332 0.867 10 10 CCCE COC(=O)C1(C)CN(C(=O)c2ccc(O)c(O)c2)C1 2117782408 RULPUNMSQJJLET-UHFFFAOYSA-N 265.265 0.733 10 10 CCCE CN(Cc1ccc(N)cc1)C[C@@H]1[C@@H]2CS(=O)(=O)C[C@@H]21 2118020952 QNFHUYGJJWGMOZ-BTTYYORXSA-N 280.393 0.991 10 10 CCCE COC(=O)[C@]12CCOC[C@@H]1CN(C(=O)CCN=[N+]=[N-])C2 1616032477 DVJUYMGYDUSEAX-CABZTGNLSA-N 282.300 0.725 10 10 CCCE C[C@@](O)(C(=O)NCc1cc(O)ccc1O)C1CC1 1471661006 CWNQXQBALXQMQU-ZDUSSCGKSA-N 251.282 0.875 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN1CC(=O)NCCCC(=O)O 2123017902 IWGAJWXZEKIGDP-SECBINFHSA-N 269.305 0.742 10 10 CCCE CN(C)c1ccc(C=CC(=O)NC[C@@](C)(O)CO)cc1 1911851195 TWMZJLJKRZTKNU-OAHLLOKOSA-N 278.352 0.625 10 10 CCCE COC[C@@H](OC)C(=O)NCc1c(O)cccc1O 1635847614 QHNUTZMOEYHIPQ-LLVKDONJSA-N 255.270 0.375 10 10 CCCE [N-]=[N+]=NCCN[C@@]1(C(N)=O)CCOCCC1(F)F 1912173386 LYRZXLHAEQJPDQ-MRVPVSSYSA-N 263.248 0.556 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1C[C@@H](CO)[C@@H](CCO)C1 1653843020 RJOAPTOCXXBGBW-RYUDHWBXSA-N 295.335 0.090 10 10 CCCE Cn1ccc(CNC(=O)Cc2ccc(O)c(O)c2)n1 1598396241 FIAGFBCTRDCXAZ-UHFFFAOYSA-N 261.281 0.690 10 10 CCCE COC(=O)[C@H](C)CS(=O)(=O)N1CCC[C@H](N=[N+]=[N-])C1 2127237226 UJLCMSLFOCDFCG-BDAKNGLRSA-N 290.345 0.900 10 10 CCCE OC[C@H](O)[C@H]1CCCN1c1ccc2c(c1)CC[C@H]2O 2128320718 DQDDTXCJXOBLAT-KFWWJZLASA-N 263.337 0.988 10 10 CCCE C[C@@H]1CN(Cc2cc(N)ccc2O)C2(CC2)C(=O)N1 2132031935 YLJWPAWNUWDUIG-SECBINFHSA-N 261.325 0.827 10 10 CCCE CC[C@H](CC(=O)O)NC(=O)c1cc(O)c(O)c(O)c1 2132348062 CVHOQUCGVCTFAP-SSDOTTSWSA-N 269.253 0.787 10 10 CCCE CC1CC(CO)(NC(=O)c2cc(O)c(O)c(O)c2)C1 2132349371 CFCYJRDSHNTOGD-UHFFFAOYSA-N 267.281 0.694 10 10 CCCE CC1(N)CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1 2132406094 FFBUYOVYVBYAPX-UHFFFAOYSA-N 266.297 0.757 10 10 CCCE CN(C[C@H](N)C1CC1)C(=O)c1cc(O)c(O)c(O)c1 2132414561 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CCOC(=O)CO[C@@H](N)Cc1ccc(O)c(O)c1 1951426249 RSSIXNCKTBZVGU-LLVKDONJSA-N 255.270 0.505 10 10 CCCE CN1CCc2cc([C@H](O)[C@@H](N)c3cnn(C)n3)ccc21 2148346785 SBFHLOQUZZPSGC-KBPBESRZSA-N 273.340 0.541 10 10 CCCE CN(C)[C@@H]1CN(c2ccc([N+](=O)[O-])c(CO)c2)C[C@@H]1O 2146148966 FIHZDCPPESDVIH-OLZOCXBDSA-N 281.312 0.198 10 10 CCCE CNC(=O)OC1CN(CC(=O)c2ccc(O)c(O)c2)C1 2146858872 KPNAKOWYIWVQGR-UHFFFAOYSA-N 280.280 0.321 10 10 CCCE CNC(=O)[C@H]1CCCN1c1cc2c(cc1N)OCCO2 42393194 AVYIEKDYFQOXCH-SNVBAGLBSA-N 277.324 0.755 10 10 CCCE Nc1cccc(Cl)c1N[C@@H]1CS(=O)(=O)C[C@@H]1O 2008560778 MELZNYJCJCYJKK-BDAKNGLRSA-N 276.745 0.492 10 10 CCCE Oc1cccc(CNC[C@H]2C[C@H](O)CCO2)c1O 2036674828 KGIYJMCROGAZBV-GHMZBOCLSA-N 253.298 0.727 10 10 CCCE Oc1ccc(CN[C@@H]2CO[C@@H]3COC[C@@H]23)cc1O 2040341130 HLMFOZLTXMXFSJ-OPQQBVKSSA-N 251.282 0.601 10 10 CCCE CN1CCN(C)[C@H](CNC(=O)Nc2ccc(N)cc2)C1 68808977 KJSIPCZZYQBKMQ-CYBMUJFWSA-N 277.372 0.636 10 10 CCCE C[C@H](N)c1ccc(N2C[C@@H](CO)[C@@H](O)C2)cc1O 316438083 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Nc1ccc(CC(=O)N[C@@]23CC[C@@H](C2)[C@H](O)[C@@H]3O)cc1 2176914125 NLXCRXWOIBEPDM-HJPIBITLSA-N 276.336 0.202 10 10 CCCE CN(C(=O)CN1CC[C@H]2C[C@@]2(O)C1)c1ccc(N)cc1 2171005344 PSIMITVLXGNUIY-XHDPSFHLSA-N 275.352 0.688 10 10 CCCE CO[C@H]1COC[C@H]1N(C)Cc1cc2c(cc1O)OCO2 2177282854 JGORZWOBHWPLPG-YGRLFVJLSA-N 281.308 0.967 10 10 CCCE C[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)[C@@H](O)C(F)(F)F 2197332828 VXIFNUHSBUTLDL-ALFREKQPSA-N 295.213 0.845 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3C[C@@H]4[C@H](CO)[C@@H]4C3)c(Cl)cc21 2182050023 ANQZYRMFIGVHMT-LOKDSWTASA-N 293.754 0.966 10 10 CCCE C[C@@H](O)[C@H]1CCCN1C[C@@H](O)COc1ccc(N)cc1 2193588857 NZMSWJGSRHULMK-UXIGCNINSA-N 280.368 0.854 10 10 CCCE O=C(NC[C@@]1(F)CNCCOC1)c1ccc(O)c(O)c1 2182451805 QYMXRUJMRWWNIM-ZDUSSCGKSA-N 284.287 0.156 10 10 CCCE C[C@@H](O)c1cc(F)c(N2C[C@H]3C[C@H]2[C@@H](O)[C@@H]3O)c(F)c1 2194521734 YMTNTYSQOMLHOG-XZSXUTMLSA-N 285.290 0.948 10 10 CCCE CO[C@H]1C[C@H](O)CN(c2ccc(CN)c(F)c2)C1 2046665601 VBTBMVPGNRBJSW-RYUDHWBXSA-N 254.305 0.870 10 10 CCCE N[C@H]1C[C@H](CC(=O)C(=O)[C@@]23CCC[C@@H]2CNC3)C1 2049787350 XHEKIJLEIWJAGC-ZHSDAYTOSA-N 250.342 0.642 10 10 CCCE O=C(O)CN1CC(NCc2c(O)cccc2F)C1 2050204570 PEHIFXILBHFUEB-UHFFFAOYSA-N 254.261 0.390 10 10 CCCE CCN(c1ccc(CN)cc1F)[C@@H]1CCNC1=O 2051531701 QUVFYGOEVJFDKR-GFCCVEGCSA-N 251.305 0.999 10 10 CCCE Nc1ccc(CS(=O)(=O)N[C@@H]2CC[C@@H]3CNC[C@@H]32)cc1 2191695528 RGHMTCCFTZHWAO-KWCYVHTRSA-N 295.408 0.686 10 10 CCCE NC[C@@H]1CC[C@H]1NC(=O)Cc1ccc(O)c(O)c1 2065360489 GZXQRKUMQHCCQH-VHSXEESVSA-N 250.298 0.494 10 10 CCCE [N-]=[N+]=NC1CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2068620650 JBNPUAFASONZAI-UHFFFAOYSA-N 250.214 0.938 10 10 CCCE Oc1ccc(F)cc1CN1CCN[C@@H]2COC[C@H]21 2068828987 DFPHIQFBRLSWMF-VXGBXAGGSA-N 252.289 0.704 10 10 CCCE CCCNCCNS(=O)(=O)Cc1ccc(N)cc1 2071662381 QDMUIOUWVAQGAL-UHFFFAOYSA-N 271.386 0.688 10 10 CCCE CN1CC[C@H](CNCc2cc(O)c(O)c(O)c2)C1 2074221261 MMHRAJZHNNOQGY-SECBINFHSA-N 252.314 0.845 10 10 CCCE OC[C@]1(NCc2ccc(F)c(F)c2O)C[C@@H](O)C1 2076642557 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O=C(c1cc(O)nc(O)c1)N1C[C@H](O)C[C@@H](F)C1 2219170708 MMNRKXZFZYSLPA-HTQZYQBOSA-N 256.233 0.038 10 10 CCCE COc1ccc(N2CCOC[C@H](O)C2)cc1OC 2219641024 NDDIKFRFIZNJPN-LLVKDONJSA-N 253.298 0.901 10 10 CCCE COc1ccc(N(CC(N)=O)C(C)C)c(CO)c1 2220428682 MXNVUAUNSJKPCQ-UHFFFAOYSA-N 252.314 0.888 10 10 CCCE COc1ccc(N2C[C@H](F)[C@@H](CO)C2)c(CN)c1 2220415687 UADMBTNNCWKKGF-PWSUYJOCSA-N 254.305 0.921 10 10 CCCE N=c1nnc(Nc2ccc(N3CCOCC3)cc2)n[nH]1 2234543124 NGCUEGBZBHTKRW-UHFFFAOYSA-N 273.300 0.259 10 10 CCCE C[C@@H]1Cc2cc(N3CC[C@@](O)(C(N)=O)C3)ccc2O1 2226705377 FEXLKYCPOJNNQV-OTYXRUKQSA-N 262.309 0.437 10 10 CCCE CN(C)c1ccc(OC[C@@H](O)CN2CCOCC2)cc1 2237695629 KFSIOZWVLZSQRM-AWEZNQCLSA-N 280.368 0.825 10 10 CCCE COc1ccc(N2C[C@H](O)[C@@H]3COC[C@H]32)c(CO)c1 2227710018 APNZOCPJORAUHF-BNOWGMLFSA-N 265.309 0.383 10 10 CCCE CC1CC(NCc2cc3c(cc2O)OCO3)(C(N)=O)C1 2240650694 GNLSJOYAGKOCNI-UHFFFAOYSA-N 278.308 0.865 10 10 CCCE COc1ccc(N(CCN)C[C@H](C)O)c(OC)c1 2257693670 JSNIFQUZWOCGDK-JTQLQIEISA-N 254.330 0.850 10 10 CCCE NC(=O)C[C@@H]1CCCN1C(=O)c1cccc(O)c1O 2270068281 ZJBXMYMPMRRXHX-QMMMGPOBSA-N 264.281 0.578 10 10 CCCE O=C1NC(=O)C(=CC=Cc2ccccc2[N+](=O)[O-])C(=O)N1 2293438591 ZMLGMPFQURZYCS-UHFFFAOYSA-N 287.231 0.900 10 10 CCCE O=C(NCc1ccccc1O)[C@H]1CCCN1C1CNC1 2287415130 VVMHNAFLFQUMAJ-CYBMUJFWSA-N 275.352 0.445 10 10 CCCE C[C@@H](CO)C(=O)N1CCc2cc(O)c(O)cc2C1 2318624699 DXDRWQQPWLGFCE-QMMMGPOBSA-N 251.282 0.611 10 10 CCCE OCc1ccc(N2C[C@@H]3C[C@H]2[C@@H](O)[C@H]3O)c(F)c1 2308767422 AAGZPEWDIKZFES-ZBPZKIAKSA-N 253.273 0.248 10 10 CCCE COc1cc(Cl)c(N2C[C@H](O)[C@H](O)C2)c(OC)c1 2319559114 FUWYVUCECUHIJU-AOOOYVTPSA-N 273.716 0.899 10 10 CCCE NC(=O)c1cccc(N)c1N[C@H]1C[C@@H]2C[C@H]1C[C@H]2O 2330925045 RQNRQFVXDQVOMO-RJVLYZLMSA-N 261.325 0.939 10 10 CCCE Nc1ccc(OCC(=O)NC[C@H]2[C@@H]3C[C@H]2CN3)cc1 2333092548 IGTCDGUQBQPWPV-BIMULSAOSA-N 261.325 0.372 10 10 CCCE NC(=O)c1cccc(N)c1N[C@H]1CCC[C@@H](O)[C@H]1O 2333441163 FTNKZZTXIBDWKY-UMNHJUIQSA-N 265.313 0.054 10 10 CCCE CS(=O)(=O)[C@@H]1CC[C@@H]1Nc1c(N)cccc1C(N)=O 2342617699 DSNUNXIOYOTRFH-VHSXEESVSA-N 283.353 0.355 10 10 CCCE Nc1ccc(OCCN2C[C@@H]3C[C@H]2[C@H](O)[C@H](O)C3)cc1 2355355150 TZYGRZGHWDBBGX-KAOXEZKKSA-N 278.352 0.464 10 10 CCCE Nc1ccc(OC[C@@H](O)CN2C[C@@H](F)[C@H](CO)C2)cc1 2355615241 STAZURMZGNRAPC-VHRBIJSZSA-N 284.331 0.271 10 10 CCCE C[C@H]1CN(C(=O)COc2ccc(N)cc2)CCO1 38055593 SUHWDTLQEURZKG-JTQLQIEISA-N 250.298 0.895 10 10 CCCE COc1ccc(N2CC(=O)NC(=O)C2)cc1OC 49837835 LAYRYVSXZYANMS-UHFFFAOYSA-N 250.254 0.167 10 10 CCCE Nc1ccc(CC(=O)N[C@@H]2C=CS(=O)(=O)C2)cc1 88852802 NTCCYTMJVXUCTP-LLVKDONJSA-N 266.322 0.238 10 10 CCCE O=C1N[C@H](Cc2ccc(O)c(O)c2)C(=O)N1[C@@H]1CCOC1 94891329 CKYZPTFEHRYRIJ-NXEZZACHSA-N 292.291 0.350 10 10 CCCE CC(=O)N(C(=O)N1CCN(C=O)CC1)c1ccc(N)cc1 244205845 VRISLDDHWCHJAF-UHFFFAOYSA-N 290.323 0.516 10 10 CCCE Cc1ccc(C(=O)NC[C@@H](O)[C@H]2CCCO2)c(O)c1O 529764020 GFOQFPRZJXDDPZ-GHMZBOCLSA-N 281.308 0.676 10 10 CCCE Cn1ncc2c1CN(C(=O)COc1ccc(N)cc1)C2 2168508990 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C[C@H]1C[C@H](N)CCN1S(=O)(=O)Cc1ccc(N)cc1 1876541738 CZMVJQUBJXLVNS-GXFFZTMASA-N 283.397 0.910 10 10 CCCE C[C@@H](NC(=O)CNC(N)=O)c1ccc(N(C)C)cc1 773991411 ATCAGGGCHKPGNC-SECBINFHSA-N 264.329 0.598 10 10 CCCE Nc1ccc(NC(=O)N2CCO[C@@H]3COC[C@H]32)cc1 1877660911 WVULIGNYTLIYJS-VXGBXAGGSA-N 263.297 0.900 10 10 CCCE COC(=O)[C@@](C)(CO)NCc1ccc(F)c(F)c1O 894971841 IVMPHGOBCBTSGI-GFCCVEGCSA-N 275.251 0.684 10 10 CCCE COCn1ccc(C(=O)NCc2ccc(O)c(O)c2)n1 1150378736 UVWKLLRFLQXQKK-UHFFFAOYSA-N 277.280 0.828 10 10 CCCE CN1C(=O)Cc2cc(N3CCO[C@@H](CN)C3)ccc21 84624614 SERXFCOODUDPNB-LBPRGKRZSA-N 261.325 0.369 10 10 CCCE N[C@H](c1nnc(C2CNC2)o1)c1cc(O)ccc1O 83452513 UCGGVFBGGNGINP-JTQLQIEISA-N 262.269 0.216 10 10 CCCE Cc1cccc([C@@H](N)C(=O)NC[C@@H]2CCCO2)c1O 83478173 WUCGJACKJHJJML-CMPLNLGQSA-N 264.325 0.996 10 10 CCCE C[C@@H](O)CCNS(=O)(=O)Cc1ccc(N)cc1 85964374 HEVGFKMGUQGOEH-SECBINFHSA-N 258.343 0.459 10 10 CCCE C[C@@]1(O)CCN(CCOc2ccc(N)cc2)C[C@@H]1O 1893318197 MHGQFVSOAUDMEP-UONOGXRCSA-N 266.341 0.465 10 10 CCCE C[C@H](O)c1ccc(N2CCN(C)[C@H](CO)C2)cc1 687591760 MXOGCWDODZADGB-FZMZJTMJSA-N 250.342 0.853 10 10 CCCE COc1cnc(C(=O)NCc2cccc(O)c2O)nc1 1176575862 CSIQNDBHUUYYGX-UHFFFAOYSA-N 275.264 0.826 10 10 CCCE CNCc1ccc(N(C)C[C@@H](O)CN(C)C)c(F)c1 690221552 IUVGVFZPVUCDSC-LBPRGKRZSA-N 269.364 0.904 10 10 CCCE O=C(NCC1CC(C(=O)O)C1)c1cccc(O)c1O 1916695833 BQOMQVCQDDMVPL-UHFFFAOYSA-N 265.265 0.938 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3C[C@H]4C[C@@H](O)[C@H]3C4)ccc21 2120639114 JLADARDJPWPRJO-PIZZUKIDSA-N 259.309 0.598 10 10 CCCE Nc1ccc(OCC(=O)N2CC[C@H]3[C@@H]2C[C@H]3O)cc1 2121682656 MIJARSKDQQFOCN-RWMBFGLXSA-N 262.309 0.629 10 10 CCCE CC(C)(NC(=O)Cc1ccc(O)c(O)c1)C(N)=O 1542232451 ZNCKYWPSZWMPMK-UHFFFAOYSA-N 252.270 0.020 10 10 CCCE CC1(C)C[C@@H](NC(=O)Cc2ccc(O)c(O)c2)C(=O)O1 1545894730 CVDUXZDHMVMWGQ-SECBINFHSA-N 279.292 0.851 10 10 CCCE C[C@]1(NC(=O)c2ccc(N=NC(N)=O)cc2)CCNC1=O 1635925411 UWNLMYFJBDSTAC-ZDUSSCGKSA-N 289.295 0.857 10 10 CCCE COc1cc(CNCCC(=O)O)ccc1N1CCNCC1 212698628 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N=C(O)OCCNC(=O)Cc1ccc(O)c(O)c1 1597917167 GBHRGNAELFWVGH-UHFFFAOYSA-N 254.242 0.266 10 10 CCCE CN1CCCC[C@@H](C(=O)NCc2c(O)cccc2O)C1=O 1635850210 IOYPMKPQMVYKRA-JTQLQIEISA-N 292.335 0.973 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC[C@@H](O)C12CCC2 1914437999 SRYIOMMYDXEXCV-SECBINFHSA-N 264.281 0.622 10 10 CCCE C[C@@H]1[C@H](O)CCN1C[C@H](O)COc1ccc(N)cc1 1914431102 UNHHNWOVSTYZRW-SCDSUCTJSA-N 266.341 0.464 10 10 CCCE N[C@H]1CCCc2cc(N3C[C@H](O)C[C@@H]3CO)ccc21 2128270460 GAYCPBZECAQQGL-NFAWXSAZSA-N 262.353 0.955 10 10 CCCE COC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(N)cc1 35423346 XYSQCVHVBAECLI-LBPRGKRZSA-N 262.309 0.975 10 10 CCCE O=C(NCC1[C@@H]2COC[C@@H]12)c1cc(O)c(O)c(O)c1 2132348335 JJJLQKHRDFWDGK-IUCAKERBSA-N 265.265 0.426 10 10 CCCE N[C@H]1CC[S@@](=O)(=NC(=O)c2cc(O)c(O)c(O)c2)C1 2132412956 IXBGKJRUZBBKPB-IIYDVTGLSA-N 286.309 0.143 10 10 CCCE NC[C@@H](F)[C@H]1C[C@@H](NC(=O)c2ccc(O)c(O)c2)C1 1907257046 HHLAHHRZTJNVHT-KXUCPTDWSA-N 268.288 0.903 10 10 CCCE CC(=O)C(=O)[C@@H](O)[C@H](C)CNC(=O)OC(C)(C)C 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266.297 0.288 10 10 CCCE CN(C(=O)Cn1ccncc1=O)c1ccc(N)cc1 311559392 CKAZSGKKRCEKQG-UHFFFAOYSA-N 258.281 0.489 10 10 CCCE COc1cccc(CN2CCCO[C@H](CN)C2)c1O 313344719 QDBHNLKDEGWLAH-GFCCVEGCSA-N 266.341 0.950 10 10 CCCE N[C@H](C1CC1)C(F)(F)C(=O)C(=O)C[C@H]1C[C@H](N)C1 2049782871 NVZFGNIQLYDBBY-GTNGPMTGSA-N 260.284 0.625 10 10 CCCE [N-]=[N+]=NCCNC(=O)[C@H]1CC(=O)N(CC2CC2)C1 701263287 BJSQBOALQUMDMV-VIFPVBQESA-N 251.290 0.671 10 10 CCCE Nc1ccc(CNS(=O)(=O)N2CCC[C@H]2C(=O)O)cc1 2162466795 QRAUEWXWYCUZOK-NSHDSACASA-N 299.352 0.152 10 10 CCCE Nc1ccc(CCC(=O)NCCCc2nn[nH]n2)cc1 392496025 DAGOSFIPKWUTAN-UHFFFAOYSA-N 274.328 0.464 10 10 CCCE NS(=O)(=O)C1(CNCc2cccc(O)c2O)CC1 714001293 JZKBCZLIUYSXPD-UHFFFAOYSA-N 272.326 0.009 10 10 CCCE O=C(c1cc(O)nc(O)c1)N1CC[C@]2(CCNC2)C1 382149128 FLWYTJRIQNQXOP-ZDUSSCGKSA-N 263.297 0.318 10 10 CCCE CN(C(=O)CN1C[C@H]2C[C@H]2C1=O)c1ccc(N)cc1 715639089 FJAYVYJVHITNGA-BXKDBHETSA-N 259.309 0.710 10 10 CCCE NCc1ccc(N2C[C@@H](O)C[C@@H]2CO)c(Cl)c1 698185751 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SMJOVVHFBJIPFR-BZPMIXESSA-N 280.324 0.302 10 10 CCCE COCCN(C[C@@H](C)O)c1cc2c(cc1N)OCCO2 2288131619 CQFDJAZEVOYGRM-SNVBAGLBSA-N 282.340 0.874 10 10 CCCE Nc1ccc(CCN2C[C@H]3CS(=O)(=O)[C@@H]3C2)cc1 2314956231 PHJLXMUABKENTH-WCQYABFASA-N 266.366 0.540 10 10 CCCE O=S(=O)(C1CC1)N1CCc2cc(O)c(O)cc2C1 2318676017 YCZBAZYRQTXKOI-UHFFFAOYSA-N 269.322 0.948 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1C[C@@H]2C[C@H]1[C@@H]2CO 2333081031 QJUVVVWPJAGIOH-AXFHLTTASA-N 263.293 0.480 10 10 CCCE Oc1ccc(CNC[C@@H]2C[C@@H]3C[C@H]2[C@H](O)[C@H]3O)cc1O 2355461229 REQPIFRZXXLNKN-QPTZUFNXSA-N 279.336 0.565 10 10 CCCE Nc1ccc(CC(=O)NCc2csc(=O)[nH]2)cc1 231692871 ZETUNBUNHCOVTJ-UHFFFAOYSA-N 263.322 0.878 10 10 CCCE C[C@@H]1C[C@@H](N)CCN1C(=O)c1cc(O)nc(O)c1 131632951 GJCMXLVIZMXMQM-APPZFPTMSA-N 251.286 0.445 10 10 CCCE C[C@]1(CN)CCN(C(=O)c2cc(O)nc(O)c2)C1 381139047 QJBJREPMXQMBRB-GFCCVEGCSA-N 251.286 0.304 10 10 CCCE N[C@@]1(C(=O)O)CCN(Cc2ccc(O)c(O)c2)C1 229181789 JWIQOPRWHIGUQK-LBPRGKRZSA-N 252.270 0.086 10 10 CCCE NC(=O)COCCNCc1cccc(Cl)c1O 230056567 VNXUTWOOFFQQHS-UHFFFAOYSA-N 258.705 0.637 10 10 CCCE CCNS(=O)(=O)N(C(C)=O)c1ccc(N)cc1 243491766 NQFYTWFTTMGKTQ-UHFFFAOYSA-N 257.315 0.476 10 10 CCCE CNCC[C@@]1(O)CN(C)c2c(OC)cc(OC)cc21 527416781 WQKZPJGSJGTBLQ-CQSZACIVSA-N 266.341 0.951 10 10 CCCE COCCN(C)C[C@@H](O)CNCc1ccccc1O 388890929 FUKQZBWCZNWDCK-ZDUSSCGKSA-N 268.357 0.421 10 10 CCCE CCN(CC)c1ccc(CNC(=O)CNC(N)=O)cc1 918701714 FBVQNIRUPDWNOW-UHFFFAOYSA-N 278.356 0.817 10 10 CCCE O=C(NCc1ccc(O)cc1O)C12CCN(CC1)C2 910943760 OJEYUOJUQGTJMM-UHFFFAOYSA-N 262.309 0.810 10 10 CCCE COc1cccc(CN2CCO[C@@H](CC(N)=O)C2)c1O 862535639 URJGXQLSEOGMLH-NSHDSACASA-N 280.324 0.477 10 10 CCCE COCCOCCN(CCO)Cc1ccccc1O 862468129 CQNYNQAUJHSSHO-UHFFFAOYSA-N 269.341 0.850 10 10 CCCE COc1ccc(O)c(CN2C[C@@H](O)C[C@@H](O)C2)c1 775735322 MKLWSDMMBVIVEB-PHIMTYICSA-N 253.298 0.328 10 10 CCCE C[C@H]1C[C@@H](N)CCN1C(=O)COc1ccc(N)cc1 1876444626 SAXAGJJXAIWBRU-JQWIXIFHSA-N 263.341 0.986 10 10 CCCE CC(=O)C(=O)[C@@]1(O)CCC12CN(C(=O)OC(C)(C)C)C2 1882208567 SOSHSPOUUGJSCI-AWEZNQCLSA-N 283.324 0.907 10 10 CCCE NC(=O)CC(=O)NCc1ccc2cccnc2c1O 1142728522 WQVXFVBKTACFCX-UHFFFAOYSA-N 259.265 0.432 10 10 CCCE CCOc1ccc(N2CCN(c3nnnn3C)CC2)cc1 1351009610 AFFYWOPWBKJVPC-UHFFFAOYSA-N 288.355 0.935 10 10 CCCE COC(=O)[C@H](NCCN=[N+]=[N-])c1snnc1C 394710835 URBNLPGYPIVNNP-ZCFIWIBFSA-N 256.291 0.961 10 10 CCCE NC(=O)C[C@H](N)c1nnc(-c2cccc(O)c2O)o1 83462705 RCOYGBZKILHVCE-LURJTMIESA-N 264.241 0.023 10 10 CCCE COC(=O)[C@H](O)CCNCc1ccc2c(c1)CCO2 83481498 MCMJSRLXTDMDEG-GFCCVEGCSA-N 265.309 0.635 10 10 CCCE CCn1nnc(CNCc2cc(OC)ccc2O)n1 1893039856 FXWBIIWUSANVNL-UHFFFAOYSA-N 263.301 0.697 10 10 CCCE COC1(OC)CC[C@H]1NC(=O)c1cc(O)nc(O)c1 711474660 HGZKLHFLOWQZSV-MRVPVSSYSA-N 268.269 0.374 10 10 CCCE CCCn1cc([C@@H](NCCCN=[N+]=[N-])C(N)=O)nn1 714451796 UWSKRHLTVMVMKG-SECBINFHSA-N 266.309 0.505 10 10 CCCE C[C@H](NC[C@H](O)CN(C)C)c1c(O)cccc1O 717358413 HLEQPDOHMPTOBM-UWVGGRQHSA-N 254.330 0.671 10 10 CCCE CN(C)C[C@@H](O)CN(C)c1ccc([N+](=O)[O-])c(CO)c1 690314451 ADNGIGADVJXEDB-GFCCVEGCSA-N 283.328 0.446 10 10 CCCE CNCc1ccc(N(C)[C@H]2CS(=O)(=O)C[C@H]2OC)cc1 696866763 OYLZDXOJPUJXSH-UONOGXRCSA-N 298.408 0.654 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NCc1nnc2n1CCC2 1290547528 AMUVOEJZEIBWFA-UHFFFAOYSA-N 288.307 0.494 10 10 CCCE CCOc1ccc(N2[C@@H](C)CNC(=O)[C@@H]2CN)cc1 216991368 IGHSSANKHKHRDV-GWCFXTLKSA-N 263.341 0.737 10 10 CCCE CCS(=O)(=O)[C@@H]1CCN(Cc2cc(N)ccc2O)C1 2123321244 QOPNPXPHLGUACB-GFCCVEGCSA-N 284.381 0.983 10 10 CCCE CN(Cc1nnc2n1CCC2)C(=O)c1cccc(O)c1O 1623960969 YOBDNMGKXYDWIN-UHFFFAOYSA-N 288.307 0.908 10 10 CCCE C[C@@](NCCN=[N+]=[N-])(C(=O)O)C1CCS(=O)(=O)CC1 1912205038 DCWQDYDNWRXITR-JTQLQIEISA-N 290.345 0.554 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCn2ccnc2C1 1639051279 DIEMDDPPZWJMAA-LLVKDONJSA-N 287.319 0.968 10 10 CCCE NC(=O)CCC(=O)NCCc1ccc(O)c(O)c1 1630335960 YZMQHJCXGJOECN-UHFFFAOYSA-N 252.270 0.022 10 10 CCCE [N-]=[N+]=NCC1CCN(C(=O)[C@H]2CCS2(=O)=O)CC1 1912164424 AUYNOFIUQVBNOE-SECBINFHSA-N 272.330 0.722 10 10 CCCE C[C@H]1CCC(=O)CN1C(=O)c1cc(O)c(O)c(O)c1 2132410898 QLNQWWUMOAXEAF-ZETCQYMHSA-N 265.265 0.997 10 10 CCCE CN(C)C[C@@H]1CCN1C(=O)c1cc(O)c(O)c(O)c1 2132412988 JBFWYTFKYQXKQS-VIFPVBQESA-N 266.297 0.580 10 10 CCCE NC[C@@H]1[C@H]2C[C@@H]2CN1C(=O)Cc1ccc(O)c(O)c1 1905487135 LSMMQWJRXDFSEN-OUAUKWLOSA-N 262.309 0.446 10 10 CCCE C[C@@H](c1ccc(F)cc1O)N1CCNC[C@H]1C(N)=O 251517304 JZPNNZMURAJUTR-KWQFWETISA-N 267.304 0.351 10 10 CCCE C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc(O)c(O)c1 226955310 WYNGAHHILJEROX-WPRPVWTQSA-N 278.308 0.824 10 10 CCCE CN(CCN=[N+]=[N-])C(=O)[C@@]12CCC[C@H]1CS(=O)(=O)C2 2137222857 ROXAPMRRUAJHTK-GXSJLCMTSA-N 286.357 0.970 10 10 CCCE C[C@H]1OCC[C@@]1(O)CNC(=O)COc1ccc(N)cc1 227096445 PYPYBFRFHZPCRT-QMTHXVAHSA-N 280.324 0.304 10 10 CCCE C[C@H](NC(=O)NCc1cc(N)ccc1O)S(C)(=O)=O 2138286934 IHHJQANDNRPUOC-SSDOTTSWSA-N 287.341 0.164 10 10 CCCE CCOC(=O)CCS(=O)(=O)Nc1ccc(O)cc1N 233669253 QMFQDDONZLXBCR-UHFFFAOYSA-N 288.325 0.669 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@H]3C[C@H]2CC[C@@H]3O)cc1 2144892792 CBOCFEPZJLXXJV-BNOWGMLFSA-N 296.392 0.944 10 10 CCCE O[C@@H]1[C@H](O)[C@H]2C[C@@H](NCc3ccc4c(c3)CCO4)[C@H]1C2 1974159605 ZIBDCKYFAQLZIX-DFMBRWPFSA-N 275.348 0.841 10 10 CCCE CN[C@H](C)c1ccc2c(c1)CCN2C[C@H](O)C(=O)OC 2145832190 CFLDOQRQLSKSTF-YGRLFVJLSA-N 278.352 0.863 10 10 CCCE CCO[C@H]1CN(C(=O)c2cc(O)nc(O)c2)CCC1=O 2146784551 UDBLQRGAGDARFH-JTQLQIEISA-N 280.280 0.313 10 10 CCCE NC(=O)NC1CC(NC(=O)CCc2ccc(N)cc2)C1 2152870145 FMVCYCMTPMTMRS-UHFFFAOYSA-N 276.340 0.517 10 10 CCCE Nc1ccc(CCC(=O)N2CCNC(=O)CC2)cc1 62100038 VRJVBLWFDFZABX-UHFFFAOYSA-N 261.325 0.550 10 10 CCCE C[C@H](c1ccc(O)cc1O)N(C)CCN1CCNCC1 71148586 FTJQYPVDWFFYRV-GFCCVEGCSA-N 279.384 0.996 10 10 CCCE COC(=O)[C@@H](C)S(=O)(=O)N1CCC[C@H](N=[N+]=[N-])C1 403651213 HTYGGQLSBDSDGD-SFYZADRCSA-N 276.318 0.652 10 10 CCCE Cc1cc(CN)ccc1N1C[C@H](CO)[C@@H](CO)C1 704700768 ZSAZEJPWLSQZPJ-CHWSQXEVSA-N 250.342 0.491 10 10 CCCE C[C@H](N)c1ccc(N2C[C@H]3C[C@@H](O)[C@H](O)[C@H]2C3)cc1O 2173318613 XEBONLPBMDZBOY-ZNXRPONKSA-N 278.352 0.732 10 10 CCCE Nc1ccc(OCC(=O)OCCn2cncn2)cc1 388928221 QTXSFGXXQAVCRQ-UHFFFAOYSA-N 262.269 0.483 10 10 CCCE Cc1nn(Cc2c(O)cc(O)cc2O)cc1CO 2070278250 AIRFRIIBNRUWMU-UHFFFAOYSA-N 250.254 0.849 10 10 CCCE O=C(O)[C@H]1Cc2nnc(-c3cc(O)c(O)c(O)c3)n2C1 2188868725 VUPYQIKCFWREFT-LURJTMIESA-N 277.236 0.319 10 10 CCCE C[C@H](NC(=O)c1cc(O)c(O)c(O)c1)c1ncn(C)n1 2188874459 HQQZWICETRKMFV-LURJTMIESA-N 278.268 0.423 10 10 CCCE O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2)c1cc(O)c(O)c(O)c1 2188915411 HWUIRDKSPORPID-MYJAWHEDSA-N 278.308 0.816 10 10 CCCE CCN[C@H]1CCN(CCc2ccc(O)c(O)c2)C1=O 2091743161 MEPSCJVFDXHARL-NSHDSACASA-N 264.325 0.851 10 10 CCCE C[C@]1(O)CCN(C(=O)c2ccc(O)c(O)c2)C[C@@]1(C)O 2194609683 YMNJSWOBSVSWEE-UONOGXRCSA-N 281.308 0.446 10 10 CCCE CS(=O)(=O)N[C@H]1CCN(c2ccc3c(c2)CC[C@@H]3N)C1 2184740145 PVIKKKIOUDYLDL-FZMZJTMJSA-N 295.408 0.761 10 10 CCCE Nc1ccc(O)c(CN2CC[C@H]3OCC(=O)N[C@@H]3C2)c1 2185519888 APMKWKKTUPPACW-DGCLKSJQSA-N 277.324 0.064 10 10 CCCE Nc1ccc(CCC(=O)N2CC[C@H](N)[C@H](CO)C2)cc1 2191720736 ROQVBAPJFVWPQT-JSGCOSHPSA-N 277.368 0.370 10 10 CCCE NC(=O)[C@H]1CCC[C@H]1NCc1ccc(O)cc1O 2053788096 FHSJBKJCEINSPX-WDEREUQCSA-N 250.298 0.841 10 10 CCCE CO[C@@H]1COC[C@H]1Nc1c(N)cccc1C(=O)O 2057169002 LBKVIQGHSNRFJK-NXEZZACHSA-N 252.270 0.793 10 10 CCCE COC1(OC)CCN(CC(=O)Nc2ccc(N)cc2)C1 2187691431 KDBHGCGFKQEXNX-UHFFFAOYSA-N 279.340 0.902 10 10 CCCE Cn1cnc(CN2CCN(c3ccc(N)cc3)C2=O)n1 2197715531 SUNLWBPMLSANGB-UHFFFAOYSA-N 272.312 0.840 10 10 CCCE Nc1ccc(NC(=O)N[C@@H]2CO[C@H]3COC[C@@H]23)cc1 2101876719 GQMKSQAVYGJHFY-TUAOUCFPSA-N 263.297 0.804 10 10 CCCE COc1cc(N2CCNC(=O)[C@H]2C)ccc1CO 2084018341 XWXMKQKANXWXFV-SECBINFHSA-N 250.298 0.512 10 10 CCCE COc1cccc(CN[C@@H](C(=O)O)C2COC2)c1O 2104900281 LCNQJBBTQBFKQO-LLVKDONJSA-N 267.281 0.590 10 10 CCCE Nc1ccc(O)c(CN2CC[C@@]3(CNC(=O)C3)C2)c1 2107034378 HPVOXFVRMOKHEI-CQSZACIVSA-N 261.325 0.686 10 10 CCCE O=C(CN1CC[C@@H](O)[C@@H](F)C1)c1ccc(O)c(O)c1 2088308700 MXLMPEGZZSVUMT-VHSXEESVSA-N 269.272 0.685 10 10 CCCE CO[C@@H]1CNCC[C@@H]1NC(=O)c1ccc(O)c(O)c1 2090581893 AYAWUORHEHUTAG-JOYOIKCWSA-N 266.297 0.205 10 10 CCCE NCC1(F)CC(CNC(=O)c2ccc(O)c(O)c2)C1 2111933014 CQWHQKOXMDDCAT-UHFFFAOYSA-N 268.288 0.905 10 10 CCCE O=C1Nc2cc(N3C[C@@H]4C[C@H](O)[C@H]4C3)ccc2[C@@H]1O 2095046322 FQAROWRNJJWZPL-QNWTXNENSA-N 260.293 0.489 10 10 CCCE CN1CCO[C@@H]2CN(c3ccc(CN)c(F)c3)C[C@H]21 2097704427 XVMMFAXZHOEDMS-ZIAGYGMSSA-N 265.332 0.804 10 10 CCCE CNCc1ccc(N2CCN(C[C@H](C)O)CC2)cc1 2113859654 USONHIQIKHSNDR-ZDUSSCGKSA-N 263.385 0.909 10 10 CCCE O=C(c1cccc(O)c1O)N1CC(n2cnnc2)C1 2113832081 JWPFFSCMDFKAMS-UHFFFAOYSA-N 260.253 0.386 10 10 CCCE CN[C@H]1CN(C(=O)COc2ccc(N)cc2)CC12CC2 2205853165 LISFVYYRIAMVCM-ZDUSSCGKSA-N 275.352 0.858 10 10 CCCE CN(c1cc2c(cc1N)OCCO2)[C@H]1C[C@@H](O)C1 2217530485 DTLBJVOZWURFLA-DTORHVGOSA-N 250.298 1.000 10 10 CCCE CN(C)C[C@@H](O)CN(C)c1ccc2c(c1)CCO2 2219578007 QPRFNOWODNNOFJ-CYBMUJFWSA-N 250.342 0.980 10 10 CCCE COCC(COC)S(=O)(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-] 2225798172 FGZIWFUKKKEIDX-VHSXEESVSA-N 292.361 0.799 10 10 CCCE COc1ccc(N2CC(n3cnnc3)C2)c(CCN)c1 2235977919 WZQMYOUNPKOVSJ-UHFFFAOYSA-N 273.340 0.849 10 10 CCCE NCc1ccc(N2C[C@@H]3[C@H]4C[C@H]([C@@H]3C2)[C@@H](O)[C@@H]4O)cc1 2237069095 RAKFABHZSDCWBN-YTQIUSBHSA-N 274.364 0.569 10 10 CCCE CCN(c1ccc(OC)cc1CO)[C@@H]1CCNC1=O 2227710565 GXALDNFVTAVRIP-CYBMUJFWSA-N 264.325 0.902 10 10 CCCE Cc1cc([C@H](C)O)ccc1N1CC[C@@](O)(CO)[C@@H](O)C1 2240833110 KRQLPQHKVNQQEW-TUKIKUTGSA-N 281.352 0.343 10 10 CCCE O=C(N[C@H]1COC2(COC2)C1)c1ccc(O)c(O)c1 2270775412 VRENDZUWZBXMAD-SECBINFHSA-N 265.265 0.386 10 10 CCCE COc1ccc(N2C[C@@H](O)C[C@H]2CO)c(OC)c1C 2277990329 BRWFEUOPJFWANQ-QWRGUYRKSA-N 267.325 0.944 10 10 CCCE O=C(N[C@@H]1CCNCC1(F)F)c1cc(O)c(O)c(O)c1 2279116907 BWBTZMSCYPADON-SECBINFHSA-N 288.250 0.530 10 10 CCCE COC(=O)[C@@H](NCCN=[N+]=[N-])[C@H]1C[C@@H]2CC[C@H]1O2 2309368975 VQFXAUNMKBAEKO-QEYWKRMJSA-N 254.290 0.995 10 10 CCCE O=C(O)[C@H]1[C@@H]2C[C@@H]2CN1C(=O)c1ccc(O)c(O)c1 2328878848 OIRXGUFVBFBNNU-SOCHQFKDSA-N 263.249 0.643 10 10 CCCE C[C@H](O)c1ccc(N2C[C@@H]3C[C@H]2[C@@H](O)[C@@H]3O)c(F)c1 2329323859 JZQWLPFGRLUBRV-OAVNSQIMSA-N 267.300 0.809 10 10 CCCE O=C(NC[C@H]1[C@H]2CN[C@@H]1C2)c1cc(O)c(O)c(O)c1 2333095084 LNNSSRDEGZYXFR-HRDYMLBCSA-N 264.281 0.141 10 10 CCCE CN(C)S(=O)(=O)CCCNCc1ccc(F)cc1O 2341866431 RDKGDGLMMHRKAQ-UHFFFAOYSA-N 290.360 0.902 10 10 CCCE COCCNCc1cc(F)c(N2CCNC(=O)C2)c(F)c1 62734812 GBZRYPGBBJYCFA-UHFFFAOYSA-N 299.321 0.637 10 10 CCCE CCCCS(=O)(=O)NCCN1C(=O)CSC1=S 71558012 ZNMZDSIDSFTCFB-UHFFFAOYSA-N 296.439 0.566 10 10 CCCE C[C@@H](CN)n1c2c([nH]c1=S)CCS(=O)(=O)C2 75209471 VSHGZMQXCKLVBQ-LURJTMIESA-N 261.372 0.536 10 10 CCCE NCCc1nc(C(=O)NCc2ccc(N)cc2)co1 43216076 LQSVKVDCAHQSDU-UHFFFAOYSA-N 260.297 0.688 10 10 CCCE CS(=O)(=O)[C@@H]1CCC[C@]1(NCCN=[N+]=[N-])C(=O)O 90256625 QSYYDWFBFKMZRE-VXNVDRBHSA-N 276.318 0.307 10 10 CCCE CN1C[C@@](O)(CNC2CC2)c2cc3c(cc21)OCCO3 527415829 TUCLDLFKPDSTJE-HNNXBMFYSA-N 276.336 0.847 10 10 CCCE CN(C[C@@H](O)CNCc1ccccc1O)C1CC1 381276291 SYYQPYNYAOJDAC-ZDUSSCGKSA-N 250.342 0.937 10 10 CCCE Nc1ccc(OCC(=O)N2CC(=O)N[C@@H]3CC[C@H]32)cc1 2168352899 YXUCYXFCYHPMSB-VXGBXAGGSA-N 275.308 0.137 10 10 CCCE CO[C@H]1CC[C@H]1NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 724187194 IRMYFGZDKALDMY-CWSCBRNRSA-N 280.324 0.261 10 10 CCCE CCN[C@@H](c1ccccc1O)[C@H](O)c1ncn(C)n1 2134181334 MRZRADLOMZQCPK-RYUDHWBXSA-N 262.313 0.905 10 10 CCCE C[C@@H](NC(=O)C1CS(=O)(=O)C1)c1ccccc1O 827952354 OYUNWOIKNDBYCV-MRVPVSSYSA-N 269.322 0.614 10 10 CCCE Nc1ccc(CS(=O)(=O)N2C[C@@H]3C[C@H](CN3)C2)cc1 1876164737 XXDDMLYYMBNCKO-YPMHNXCESA-N 281.381 0.392 10 10 CCCE C[C@@H](O)[C@@H](NC(=O)c1cc(O)nc(O)c1)C(F)(F)F 1882651001 GTMLJEHRKLFQGL-SPGJFGJESA-N 280.202 0.534 10 10 CCCE Cn1cncc1[C@H](CO)NC(=O)Cc1ccc(O)c(O)c1 1168350290 UKJLKULRCGBBSO-JTQLQIEISA-N 291.307 0.224 10 10 CCCE Cc1cccc(CNCc2cn(CCCO)nn2)c1O 2204626812 VVRRDDSFOOBQIP-UHFFFAOYSA-N 276.340 0.964 10 10 CCCE CNCc1nnc([C@H](N)c2cccc(F)c2O)o1 83391307 JRQUDMUOKSUYCC-SECBINFHSA-N 252.249 0.682 10 10 CCCE [N-]=[N+]=NCCCNC(=O)[C@H]1CCCCS1(=O)=O 167893264 ZJPPYQFFBLWLQD-MRVPVSSYSA-N 260.319 0.770 10 10 CCCE C[C@@H](O)[C@H]1CCCCN1C(=O)c1cc(O)nc(O)c1 688025391 OLCZUKPIJXTJAO-PSASIEDQSA-N 266.297 0.868 10 10 CCCE Cc1n[nH]c(CN(C)S(=O)(=O)Cc2ccc(N)cc2)n1 80511115 TTWFWVIXMTWWFD-UHFFFAOYSA-N 295.368 0.657 10 10 CCCE C[C@@H](C(N)=O)N(C)[C@@H](C)C(=O)Nc1ccc(N)cc1 711090829 TUVLSNFLHVDSPU-IUCAKERBSA-N 264.329 0.401 10 10 CCCE COc1ccc2c(c1)NC(=O)[C@@H]1CS(=O)(=O)CCN21 97828887 FXEXNPZYHFSAGY-NSHDSACASA-N 282.321 0.251 10 10 CCCE NC[C@@H](NC(=O)c1ccc(O)c(O)c1)c1cscn1 2119003036 YFIQIBWKOBWMPH-MRVPVSSYSA-N 279.321 0.984 10 10 CCCE O=[N+]([O-])c1cc(CO)ccc1N1C[C@@H](CO)[C@@H](F)C1 2120610687 MLZXHWOCKUIVFW-UWVGGRQHSA-N 270.260 0.854 10 10 CCCE COc1cccc(CN2C[C@@H]3NC(=O)O[C@H]3C2)c1O 2120405613 MPSWTFPOPSGBPK-ONGXEEELSA-N 264.281 0.693 10 10 CCCE 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Cn1cccc([C@@H](NCCN=[N+]=[N-])C(=O)O)c1=O 2057619487 AEZPEPJXCYYNLZ-MRVPVSSYSA-N 251.246 0.411 10 10 CCCE O=C(N[C@H]1[C@H]2OCC[C@@H]21)c1cc(O)c(O)c(O)c1 2068620955 LFXPKBSDAKWUCI-CGYDSVCVSA-N 251.238 0.321 10 10 CCCE Nc1ccc(NC(=O)N[C@H]2CCOC[C@@H]2N)cc1 2071567809 BPDKBFNOOGBRLI-QWRGUYRKSA-N 250.302 0.507 10 10 CCCE Cc1cc(CN)ccc1N1CC[C@H](O)[C@](C)(O)C1 2081719880 ANOFUHYGDDNUSB-UONOGXRCSA-N 250.342 0.776 10 10 CCCE Cc1cccc(CNC(=O)[C@H](F)C2CNC2)c1O 2084065483 YBOJCPWLHYBFNV-LLVKDONJSA-N 252.289 0.874 10 10 CCCE CC1(C)C[C@@H](NC(=O)Cc2ccc(O)c(O)c2)[C@@H]1O 2105098993 UTLMAZXYAFPLEP-RNCFNFMXSA-N 265.309 0.916 10 10 CCCE Nc1ccc(CCC(=O)N2C[C@@H](O)C[C@H](O)C2)cc1 2105114590 WVGYOXYAXRUPDZ-STQMWFEESA-N 264.325 0.156 10 10 CCCE COc1ccc(N2CCO[C@@H]3CNC[C@H]32)cc1OC 2106362785 OZAWIEBLJOPPMR-BXUZGUMPSA-N 264.325 0.881 10 10 CCCE CN(C)c1ccc([C@@H](CCn2cnnn2)NN)cc1 2106827788 GXQAYJQRCCHRQW-GFCCVEGCSA-N 261.333 0.334 10 10 CCCE COC(=O)c1cccc(N)c1N[C@H]1CCOC[C@H]1O 2108739292 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COC[C@@H]1[C@@H](O)[C@H](O)CN1c1ccc2c(c1)CC[C@H]2N 2234069401 IMKNAAXKEQMPLK-KBUPBQIOSA-N 278.352 0.189 10 10 CCCE Nc1ccc(NC(=O)N2C[C@@H]3COC[C@]3(CO)C2)cc1 2234553580 YXLCKLOHOVFXRJ-QMTHXVAHSA-N 277.324 0.741 10 10 CCCE COc1ccc(N2CC(=O)N[C@H]3CC[C@@H]32)c(C(=O)O)c1 2235954462 CGRQOCLOTIUBNV-JQWIXIFHSA-N 276.292 0.861 10 10 CCCE COc1ccc(N2CC[C@@]3(C[C@@H](O)CO3)C2)c(CN)c1 2235971351 AIODBQLCIPAQFQ-IUODEOHRSA-N 278.352 0.884 10 10 CCCE COc1ccc(N(C)[C@@H]2CCS(=O)(=O)C2)c(CO)c1 2227709483 UVMRXYCLYUGRAZ-LLVKDONJSA-N 285.365 0.811 10 10 CCCE O=c1c2c(ccn1C[C@@H](F)[C@H]1CCOC1)CCNC2 2229987219 VOBXETAGWLTDHC-WCQYABFASA-N 266.316 0.869 10 10 CCCE Cc1cc(N2CCC[C@@](O)(C(N)=O)C2)ccc1[C@H](C)O 2285151006 XERAYXNQJBXEMQ-NHYWBVRUSA-N 278.352 0.865 10 10 CCCE O=C(c1ccc(O)c(O)c1)N1C[C@@H]2OCC[C@@]2(CO)C1 2296360955 ONGSBDPLGGOTAS-JSGCOSHPSA-N 279.292 0.321 10 10 CCCE N[C@H]1CCc2cc(N3CC4(CNC(=O)CO4)C3)ccc21 2289723797 BQRZDHFKVXXMKL-ZDUSSCGKSA-N 273.336 0.338 10 10 CCCE CCc1cnc(Sc2nnnn2CC(=O)O)s1 2302622689 OLTOSXROBIBPKF-UHFFFAOYSA-N 271.327 0.928 10 10 CCCE C[C@H](N)c1ccc(N2C[C@@H](O)[C@@H]3COC[C@@H]32)cc1O 2329192943 DIYBRBVWWIEHKW-RBQWDTSBSA-N 264.325 0.608 10 10 CCCE CN1CCN(C)[C@@H](C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])C1 2333612046 CPAIJTULPXNLQS-OUAUKWLOSA-N 266.349 0.580 10 10 CCCE Nc1ccc(OCCN2C[C@@H]3[C@H](C2)CS3(=O)=O)cc1 2336361088 FSPLMKQXAUNQMJ-ZWNOBZJWSA-N 282.365 0.376 10 10 CCCE CN(Cc1ccccc1O)[C@@]1(C(=O)O)COC[C@@H]1N 2347721977 AXFLBDYCWDJVPG-AAEUAGOBSA-N 266.297 0.005 10 10 CCCE CCNCc1ccc(N2C[C@@H]3C[C@H]2[C@H](O)[C@H]3O)c(F)c1 2354485524 OSPLWBJRDUZHPF-HJPIBITLSA-N 280.343 0.866 10 10 CCCE COC(=O)CCS(=O)(=O)NCCCCN=[N+]=[N-] 231733321 UVYFGENQUMDUEW-UHFFFAOYSA-N 264.307 0.559 10 10 CCCE CN1C(=O)[C@@H](O)c2ccc(N3C[C@@H]4COCC[C@@H]43)cc21 2357224698 CRTOOWUCYGBUBI-LQJRIPTKSA-N 274.320 0.922 10 10 CCCE C[C@@H](CCNC(=O)c1cccc(O)c1O)[S@@](C)=O 126553268 KPOKNQKKJAIQCP-ASCAZGACSA-N 271.338 0.985 10 10 CCCE C[C@H]1CN(C(=O)c2cccc(O)c2O)CCN1C[C@@H](C)O 187140672 HBPOBQJYZLDJQO-WDEREUQCSA-N 294.351 0.625 10 10 CCCE C[C@H](CCNC(=O)c1cccc(O)c1O)[S@](C)=O 126553038 KPOKNQKKJAIQCP-NTCNTBNZSA-N 271.338 0.985 10 10 CCCE COc1cc(Cl)cc(CNC[C@](C)(O)CO)c1O 229052974 RMQPJVVYQUBWEA-LBPRGKRZSA-N 275.732 0.887 10 10 CCCE O=C(NC[C@H](O)[C@H]1CCCO1)c1cccc(O)c1O 529769195 NKSKDGNVCDGSQW-WDEREUQCSA-N 267.281 0.368 10 10 CCCE Nc1ccc(CC(=O)N2CCNC[C@@H]2C(F)F)cc1 377552640 DDOJGWAALDABSW-LLVKDONJSA-N 269.295 0.877 10 10 CCCE OCc1cc(F)c(N2C[C@@H](CO)[C@@H](CO)C2)c(F)c1 707740395 SUQLVVNGKATHHW-AOOOYVTPSA-N 273.279 0.494 10 10 CCCE Nc1ccc(CCNC(=O)c2cc(C(=O)O)on2)cc1 2162282323 LTXMFSZBICJLFR-UHFFFAOYSA-N 275.264 0.928 10 10 CCCE CO[C@H]1C[C@H](O)CN(C(=O)COc2ccc(N)cc2)C1 2165322489 KWACNMMQQAZDFO-AAEUAGOBSA-N 280.324 0.256 10 10 CCCE CN[C@@H](C)c1ccc(N2C[C@@H](O)[C@H](OC)C2)cc1O 395995677 BFWNZTVMLZKZCO-CUOATXAZSA-N 266.341 0.869 10 10 CCCE CC(=O)C(=O)CN1C(=O)c2c(F)cccc2S1(=O)=O 808035182 RFWOXSWLBGYMBN-UHFFFAOYSA-N 285.252 0.128 10 10 CCCE Nc1ccc(-n2ccc(C(=O)NC3(CO)CC3)n2)cc1 142908049 JWRVJJLUTITNAK-UHFFFAOYSA-N 272.308 0.709 10 10 CCCE CN(Cc1ccccc1O)S(=O)(=O)C[C@H]1CCNC1 722274313 GLPKJKWUZDUEST-NSHDSACASA-N 284.381 0.763 10 10 CCCE CN(Cc1ccn(C)n1)S(=O)(=O)Cc1ccc(N)cc1 723512318 BZIMFEGANCLBQC-UHFFFAOYSA-N 294.380 0.964 10 10 CCCE COc1ccc(N2CC[C@@H](NC(=O)CNC(C)=O)C2)cc1 855234758 LQWYPCJPHOCUNI-GFCCVEGCSA-N 291.351 0.526 10 10 CCCE COC(=O)[C@@H](F)CNC(=O)NCc1c(O)cccc1F 924053394 HWQIQBWYHPHFGE-VIFPVBQESA-N 288.250 0.842 10 10 CCCE Nc1cc2c(cc1N1C[C@H]3C(N)[C@@H]3C1)CCC(=O)N2 1876185763 CDQPPKVVMRBFIZ-RKDXNWHRSA-N 258.325 0.547 10 10 CCCE Nc1ccc(CCC(=O)N=S2(=O)CCNCC2)cc1 1876452159 VVSDQZDIUDVKAH-UHFFFAOYSA-N 281.381 0.799 10 10 CCCE CC(=O)C(=O)[C@@]1(O)CN(C(=O)OC(C)(C)C)C1(C)C 1881113553 SMORJWZSCQCZIE-ZDUSSCGKSA-N 271.313 0.905 10 10 CCCE C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CC(=O)N1 1141073729 YAWSVNZDQAVOOG-MRVPVSSYSA-N 289.295 0.810 10 10 CCCE O=C1Nc2cc(N3[C@H]4COC[C@H]3C4)c(F)cc2[C@@H]1O 1899613173 JDRMWRYQUULJDZ-QHMRUWFYSA-N 264.256 0.789 10 10 CCCE Cc1nnsc1[C@@H](NCCCN=[N+]=[N-])C(N)=O 394699527 BEKXWHQDTINILA-ZCFIWIBFSA-N 255.307 0.663 10 10 CCCE COC(CNC(=O)[C@H](N)c1ccc(C)cc1O)OC 83497407 DMLBZWTZHSJIJG-GFCCVEGCSA-N 268.313 0.436 10 10 CCCE CN(C)CCNC(=O)[C@@H](N)c1ccc(N(C)C)cc1 83479790 MXGFIPUVSHFMEP-ZDUSSCGKSA-N 264.373 0.430 10 10 CCCE CC(=O)N[C@@H](C)[C@@H]1NCCc2ccc(O)c(O)c21 83725213 GTSUUUSHZCZLCA-MADCSZMMSA-N 250.298 0.809 10 10 CCCE CON1CC[C@H](NC(=O)CCc2ccc(N)cc2)C1 2116166202 WLKROFZQSRZNSH-ZDUSSCGKSA-N 263.341 0.953 10 10 CCCE Cc1nn(C)c(=O)n(CCc2ccc(N)cc2)c1=O 2118575569 MHVBAYDCWTVRPC-UHFFFAOYSA-N 260.297 0.075 10 10 CCCE C[C@@H]1CNC(=O)CN1c1cc2c(cc1N)OCCO2 2124755920 IIIYTHIDORKNFK-MRVPVSSYSA-N 263.297 0.365 10 10 CCCE O=C(NCc1c(O)cccc1O)c1cnsn1 1647268686 AYGSPODLYBVKLM-UHFFFAOYSA-N 251.267 0.879 10 10 CCCE O=C(NCc1c(O)cccc1O)[C@H]1CCc2nncn2C1 1647289824 JLHOOKYJZGTBRY-VIFPVBQESA-N 288.307 0.568 10 10 CCCE COC(=O)[C@@H](N)CC(=O)N(C)Cc1ccccc1O 1913938835 TYGIRBFIQLZIHC-JTQLQIEISA-N 266.297 0.241 10 10 CCCE C[C@@](O)(CO)[C@H]1CCN(C(=O)c2ccc(O)c(O)c2)C1 2202843502 QSCBKMMYCQGKGK-IINYFYTJSA-N 281.308 0.303 10 10 CCCE CC1(C)CN(CC(=O)c2ccc(O)c(O)c2)C[C@@H](CO)O1 163277442 JFWMXBKYMOXFNT-NSHDSACASA-N 295.335 0.752 10 10 CCCE CO[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2O)C[C@@H]1N 2130800184 QXODOURYKUUKIL-OVYXKVPISA-N 266.297 0.332 10 10 CCCE CN(C(=O)c1cc(O)c(O)c(O)c1)C1(C)COC1 1148583977 JJZAOIRKVLMBFZ-UHFFFAOYSA-N 253.254 0.664 10 10 CCCE Nc1ccc(O)c(CN2Cc3ncnc(O)c3C2)c1 2141030023 FZYSRIURWBBAFO-UHFFFAOYSA-N 258.281 0.986 10 10 CCCE CCNCc1ccc(N(C)C(CO)CO)cc1OC 2139684887 CERXPZYZYYUQIS-UHFFFAOYSA-N 268.357 0.594 10 10 CCCE Cc1cccc(CNC(=O)[C@H]2C[C@H](O)CCN2)c1O 2139749926 AKSJHCBWBJSMSE-VXGBXAGGSA-N 264.325 0.430 10 10 CCCE CCn1cnnc1CNCc1ccc(O)c(O)c1O 226751398 IBJIUXBCJMFACA-UHFFFAOYSA-N 264.285 0.705 10 10 CCCE O=C(Nc1snnc1C(=O)O)c1cccc(O)c1O 1923409618 BYYWKGBFVXAGPO-UHFFFAOYSA-N 281.249 0.900 10 10 CCCE NC(=O)OCCNC(=O)[C@@H]1CNc2ccccc2N1 229883834 UOBXQAIJMANHTI-JTQLQIEISA-N 264.285 0.104 10 10 CCCE O=C([C@@H]1CNc2ccccc2N1)N1CCC[C@@H](O)C1 229878486 QRWQRYRGINRHLV-MFKMUULPSA-N 261.325 0.876 10 10 CCCE Nc1ccc(CC(=O)N2CCC[C@H]3C(=O)NC[C@H]32)cc1 232276267 IPAZSWNZDRUILV-CHWSQXEVSA-N 273.336 0.548 10 10 CCCE COCCN(CCO)c1ccc([N+](=O)[O-])c(CO)c1 234620171 SRHKPDMPJDSJSV-UHFFFAOYSA-N 270.285 0.532 10 10 CCCE Nc1ccc(CCNC(=O)c2cccc(=O)[nH]2)cc1 236352395 YEEPADVJGGKTRR-UHFFFAOYSA-N 257.293 0.930 10 10 CCCE N[C@H](C(=O)O)[C@@H](O)c1ccc(N2CCCC2)cc1 1951901527 GIINXIPXMYHAQL-RYUDHWBXSA-N 250.298 0.732 10 10 CCCE CN(C)Cc1cc([C@H]2CC(=O)N[C@@H]2C(=O)O)ccc1O 1952353703 MFJMUACWMUSWIE-MFKMUULPSA-N 278.308 0.511 10 10 CCCE CN(C[C@H](O)COc1ccc(N)cc1)CC(F)(F)CO 2150989401 HVBQIOJCRKQQFP-NSHDSACASA-N 290.310 0.568 10 10 CCCE CC(C)N(C)CCN(CC(N)=O)Cc1ccc(N)cc1 2148814053 POVWXIJDKVBGSB-UHFFFAOYSA-N 278.400 0.896 10 10 CCCE CN1C(=O)[C@@H](O)c2ccc(N3C[C@@H](O)C(F)(F)C3)cc21 2152093523 ASEJHQCZSBFVRD-MNOVXSKESA-N 284.262 0.513 10 10 CCCE NCc1cc(F)c(N2CCNC(=O)C2)cc1Cl 2008204079 BJBHQJYWHRECSN-UHFFFAOYSA-N 257.696 0.874 10 10 CCCE CN1CCO[C@H]2CN(C(=O)Nc3ccc(N)cc3)C[C@H]21 2153998450 UNVJKJZCXPMHMU-OLZOCXBDSA-N 276.340 0.816 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3CCOC[C@H](CO)C3)ccc21 2154455809 JUSRETZVKJANAQ-TVQRCGJNSA-N 277.324 0.084 10 10 CCCE CN1C(=O)CC[C@@H](NCc2ccc(F)c(F)c2O)C1=O 700765697 MYQJWHMUGOMGLW-SECBINFHSA-N 284.262 0.907 10 10 CCCE COc1ccc(CN[C@@H]2CN(C)C[C@@H]2O)c(O)c1 2029866895 MBIOBYLHMMQBMM-YPMHNXCESA-N 252.314 0.165 10 10 CCCE O=C(CN1CCn2ccnc2C1)c1ccc(O)c(O)c1 62254298 MLLOZRZUUTYQGK-UHFFFAOYSA-N 273.292 0.993 10 10 CCCE Nc1ccc(OC[C@@H](O)CN2CCC[S@](=O)CC2)cc1 321820592 CSDYBEAEAJZMGQ-RBZFPXEDSA-N 298.408 0.463 10 10 CCCE [N-]=[N+]=N[C@H]1CCCN(C(=O)Cn2nc(O)ccc2=O)C1 701263357 FLEQUCUANXNSGN-QMMMGPOBSA-N 278.272 0.250 10 10 CCCE NC(=O)N[C@H]1CCN(Cc2ccc(F)c(F)c2O)C1 703636596 YTAUCZUAIROAAZ-QMMMGPOBSA-N 271.267 0.913 10 10 CCCE CCn1cc([C@@](C)(NCCCN=[N+]=[N-])C(=O)OC)nn1 714984406 AFYIKANVNKEVTA-LLVKDONJSA-N 281.320 0.976 10 10 CCCE CN[C@H](C)C[C@H](C)NC(=O)c1cc(O)nc(O)c1 721635704 YSLXLABXKVDDAH-SFYZADRCSA-N 253.302 0.609 10 10 CCCE CNC(=O)NCCN[C@H](C)c1ccc(O)cc1O 397401209 IAYQKJGHSSCVQH-MRVPVSSYSA-N 253.302 0.677 10 10 CCCE [N-]=[N+]=N[C@H]1CCCN(C(=O)[C@H]2[C@@H]3CS(=O)(=O)C[C@@H]32)CC1 2174575035 BKCPNDXAVNWZJI-UKKRHICBSA-N 298.368 0.968 10 10 CCCE COc1cccc(O)c1CN[C@H]1CCN(C2COC2)C1 2169583546 NMPPAUPMVNCBGE-NSHDSACASA-N 278.352 0.964 10 10 CCCE CCNC(=O)[C@H]1CCCN1C(=O)c1cccc(O)c1O 2169568823 UKTMAJNNTBXPDN-SNVBAGLBSA-N 278.308 0.839 10 10 CCCE CO[C@@H]1C[C@H](O)CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2188867626 DLVFDPMDXCLNDH-DTWKUNHWSA-N 283.280 0.025 10 10 CCCE COC[C@@](C)(CN)CNC(=O)c1cc(O)c(O)c(O)c1 2188909923 PJSMWTSXIUHSNG-ZDUSSCGKSA-N 284.312 0.145 10 10 CCCE CC1(C)CNCC[S@@]1(=O)=NC(=O)c1cc(O)nc(O)c1 2189325180 NPBXWMRRXYCNIS-FQEVSTJZSA-N 299.352 0.483 10 10 CCCE C[S@@](=O)CC1CN(C(=O)Cc2ccc(N)cc2)C1 2047833542 OOQPVIILMCXDCI-GOSISDBHSA-N 266.366 0.648 10 10 CCCE O=C(NCc1ccccc1O)[C@@]1(CO)CCCN1 2049589189 PTWZHSXYEQTSHB-ZDUSSCGKSA-N 250.298 0.123 10 10 CCCE CC(C)(CN)NC(=O)c1ccn(-c2ccc(N)cc2)n1 2191747353 ISFWKAUMIUVZLY-UHFFFAOYSA-N 273.340 0.922 10 10 CCCE COCC1(NC(=O)c2ccc(O)c(O)c2)COC1 2068962201 QRORVMZMSFNGCT-UHFFFAOYSA-N 253.254 0.243 10 10 CCCE COC[C@@H]1C[C@@H]1C(=O)NCc1cc(N)ccc1O 2069638487 MOPHGVAUMQEOKO-ONGXEEELSA-N 250.298 0.873 10 10 CCCE C[C@@H]1CCN(S(=O)(=O)Cc2ccc(N)cc2)C1=O 2071730109 PIIKEYWURUZIFQ-SECBINFHSA-N 268.338 0.967 10 10 CCCE O=C(O)[C@@]1(O)CCN(Cc2ccc(O)c(O)c2)C1 2076877121 JMPFKUABNZEMTK-GFCCVEGCSA-N 253.254 0.119 10 10 CCCE [N-]=[N+]=NCCCCN1CCn2c(CN)nnc2C1 2083062648 JOSMQUKHWVRBGF-UHFFFAOYSA-N 250.310 0.643 10 10 CCCE Oc1cc(F)ccc1CN1CCO[C@H]2CNC[C@H]21 2084066269 OMNOZNJTTIQWNU-YPMHNXCESA-N 252.289 0.704 10 10 CCCE C[C@@]1(CNC(=O)c2cccc(O)c2O)CNCCO1 2087025248 SDBXEEJMIIBFTM-ZDUSSCGKSA-N 266.297 0.206 10 10 CCCE CN[C@@H](C)c1ccc(N(C)[C@H]2CC(=O)NC2=O)cc1 2114736618 CGHSBMIKTKGDDA-CABZTGNLSA-N 261.325 0.818 10 10 CCCE COc1cc(N2CC(=O)N3CCC[C@H]3C2)ccc1CO 2204551126 RBJOBBFSYOUWBJ-ZDUSSCGKSA-N 276.336 0.999 10 10 CCCE CCS(=O)(=O)CNC(=O)N1CCC[C@@H]1CN=[N+]=[N-] 2218513790 SKXZZDBPSUSNOG-MRVPVSSYSA-N 275.334 0.863 10 10 CCCE COc1ccc(N2C[C@@H](O)C[C@@H](O)C2)c(F)c1F 2219767964 ZRKMXXOZHFKORB-OCAPTIKFSA-N 259.252 0.905 10 10 CCCE Cc1cc([C@H](C)O)ccc1N1CC(NS(C)(=O)=O)C1 2232099147 WCRLQIUDSXLSDK-JTQLQIEISA-N 284.381 0.786 10 10 CCCE Nc1ccc(OCCC(=O)N2C[C@@H](O)C[C@@H](F)C2)cc1 2234659501 JJXONYQMWLOZHE-PWSUYJOCSA-N 282.315 0.969 10 10 CCCE OC[C@]12CN(c3ccc4c(c3)OCCO4)C[C@]1(CO)C2 2235112070 BYCACMGBZOXRMU-GJZGRUSLSA-N 277.320 0.639 10 10 CCCE COc1ccc(N2CC[C@@H]3C(=O)NC[C@H]3C2)c(CO)c1 2236001059 DERQJMRWRYVULM-AAEUAGOBSA-N 276.336 0.760 10 10 CCCE COc1ccc(N2CCC[C@@H]3C(=O)NC[C@H]32)c(CO)c1 2236000461 VIWTUHXLNYQLNC-GXTWGEPZSA-N 276.336 0.902 10 10 CCCE Nc1ccc(N2CCN(Cc3nc(=O)o[nH]3)C2=O)cc1 2236659589 UINCUFQMZKTCFN-UHFFFAOYSA-N 275.268 0.387 10 10 CCCE COc1ccc(N2CCN(CCO)C(=O)C2)c(F)c1 2226781029 UQDNJBLPJXQZGB-UHFFFAOYSA-N 268.288 0.475 10 10 CCCE NCc1ccc(N2CCN3C(=O)COC[C@@H]3C2)cc1 2228650086 ZFIYBPYDGVDGFI-ZDUSSCGKSA-N 261.325 0.193 10 10 CCCE CSc1ncc(CNC(=O)[C@@]2(N)CCCOC2)s1 2257076303 ZIIHOLIEGVVCSX-LLVKDONJSA-N 287.410 0.989 10 10 CCCE CC1(OC[C@@H](O)COc2ccc(N)cc2)COC1 2260105639 JZXHHDLKPCAQJP-NSHDSACASA-N 253.298 0.814 10 10 CCCE CCn1cnnc1NC(=O)c1cc(O)c(O)c(O)c1 2272010560 PUWWTGOTEXDNIO-UHFFFAOYSA-N 264.241 0.667 10 10 CCCE OC[C@H]1CC[C@H](CNCc2ccc(O)cc2O)OC1 2264700815 AHKGOODQJCAXDA-ZWNOBZJWSA-N 267.325 0.975 10 10 CCCE C[C@@H](O)c1ccc(N2C[C@@H]3OC[C@@H](CO)O[C@H]3C2)cc1 2279761114 OGHCVNHHKUFLAD-RABLLNBGSA-N 279.336 0.705 10 10 CCCE Nc1ccc(CC(=O)Nc2nnc3ncccn23)cc1 2288436499 BTQGFBVWYJIRAE-UHFFFAOYSA-N 268.280 0.888 10 10 CCCE O=C(O)[C@@H](CO)N1C(=O)C(=Cc2ccc[nH]2)SC1=S 2323831564 DHYXXTXHRUNGQN-SSDOTTSWSA-N 298.345 0.661 10 10 CCCE COc1ccc(N2C[C@@H]3C[C@H]2[C@H](O)[C@@H]3O)c(CO)c1 2333717955 FAUYVPSEJRFSJM-IOEYQFCTSA-N 265.309 0.118 10 10 CCCE CN(C)CCCCNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 41679631 NJBFYWXBXBNEMW-LBPRGKRZSA-N 295.383 0.426 10 10 CCCE CCN1C(=O)N[C@@H](Cc2ccc(O)c(O)c2)C1=O 40226005 NCSHBYGHEGNIMS-QMMMGPOBSA-N 250.254 0.581 10 10 CCCE C[C@H](N[C@H]1CCS(=O)(=O)C1)c1c(O)cccc1O 235520799 QDTRMZYFYRBSAF-IUCAKERBSA-N 271.338 0.936 10 10 CCCE O=C(O)[C@@H]1COCCN(C(=O)c2cccc(O)c2O)C1 700398146 MHMSQBDGJFNCDP-QMMMGPOBSA-N 281.264 0.271 10 10 CCCE COc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)C(C)=O)c1 808509996 ZGXGBKAHLVEKRJ-UHFFFAOYSA-N 281.220 0.918 10 10 CCCE CC(=O)C(=O)COC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O 808501782 WEOFBOYFDZVQSC-SVRRBLITSA-N 295.213 0.145 10 10 CCCE Nc1ccc(O)c(CN2[C@H]3CC[C@H]2[C@H](O)[C@@H](O)C3)c1 2133908578 IEHGJSOTBHHWFF-IMIFBBOLSA-N 264.325 0.433 10 10 CCCE O=C1N[C@H](C(=O)NCCc2ccc(O)c(O)c2)CS1 271266279 WEUZBPJNFXKQKR-QMMMGPOBSA-N 282.321 0.582 10 10 CCCE O=C(CC1(O)CCOCC1)NCc1ccccc1O 907057840 ZNPPZFSUEHRYDO-UHFFFAOYSA-N 265.309 0.940 10 10 CCCE Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](O)C(C)(C)O 900733375 UVVDJLFIVYRNLU-CYBMUJFWSA-N 280.368 0.809 10 10 CCCE COc1cccc(CN2CCO[C@H]([C@@H](C)O)C2)c1O 840978439 RIQVUNBFDQIJOU-MFKMUULPSA-N 267.325 0.982 10 10 CCCE Cn1c(O)nnc1CNC(=O)CCc1ccc(N)cc1 692188852 BZRUGDVDICEJOD-UHFFFAOYSA-N 275.312 0.352 10 10 CCCE COc1cccc(CNC(=O)N[C@H]2C[C@@H](C(N)=O)C2)c1O 845445152 GXNMOLNYLHZNFE-AOOOYVTPSA-N 293.323 0.464 10 10 CCCE C[C@H](CC(=O)N(C)Cc1ccccc1O)NC(N)=O 847569631 GJUBFINGXARJEQ-SECBINFHSA-N 265.313 0.798 10 10 CCCE C[C@@H]1CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O 920462533 CXEKGLPSZUIZFR-MRVPVSSYSA-N 284.337 0.998 10 10 CCCE CCS(=O)(=O)CNC(=O)NCCCCN=[N+]=[N-] 2213416156 ZTULHDJDDCWVNC-UHFFFAOYSA-N 263.323 0.768 10 10 CCCE C[C@@H]1CN(c2cc3c(cc2N)NC(=O)CC3)C[C@H]1N 1876304341 MTTGYRIQLPGTGZ-LDYMZIIASA-N 260.341 0.937 10 10 CCCE COC(=O)c1cccc(N)c1N[C@H]1COC[C@@H]1CN 1876458773 HEXQMFNCNJGEBM-KWQFWETISA-N 265.313 0.441 10 10 CCCE NC[C@H]1CC[C@@H](NS(=O)(=O)Cc2ccc(N)cc2)C1 1876414713 XZBNZOXPHFZMFY-WCQYABFASA-N 283.397 0.816 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)N1C[C@@H]2C[C@H]1C[S@]2=O 1144645104 JPEPXBABSUNTQK-ZPEMSAPTSA-N 281.333 0.372 10 10 CCCE C[C@@H](C(=O)O)c1nnc([C@@H](N)c2ccc(O)c(O)c2)o1 83588048 OENMAIBIVFKISA-ANLVUFKYSA-N 279.252 0.717 10 10 CCCE C[C@@H](CCCO)NC(=O)COc1ccc(N)cc1 94940967 IVNLECSFVQGNDB-JTQLQIEISA-N 252.314 0.925 10 10 CCCE C[C@H](O)c1ccc(N2CCN(C)[C@@H](CO)C2)c(F)c1 687598051 XDFOOPBFCQLLBA-CMPLNLGQSA-N 268.332 0.992 10 10 CCCE C[C@@](O)(CNC(=O)Cc1ccc(N)cc1)CC(=O)O 91522457 QCIYOFHLKXHJNA-ZDUSSCGKSA-N 266.297 0.153 10 10 CCCE CO[C@H](C1CNC1)[C@H](O)c1ccc2c(c1)CCN2C 2115733098 UNRYLZDTKLPLHA-HUUCEWRRSA-N 262.353 0.947 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)C1[C@H]2CS(=O)(=O)C[C@H]12 2117937179 YOGBNCJYLBBDHW-CIUDSAMLSA-N 284.341 0.578 10 10 CCCE C[C@@]1(C(=O)NCc2c(O)cccc2O)CCCS1(=O)=O 1456323251 QPIIEFMQLNENES-ZDUSSCGKSA-N 299.348 0.681 10 10 CCCE O=C(CC1(O)CCOCC1)NCc1cc(O)ccc1O 1455356332 YGUKBKLNKNUUHC-UHFFFAOYSA-N 281.308 0.646 10 10 CCCE CNC(=O)[C@H](CC(C)C)NC(=O)Cc1ccc(O)c(O)c1 1466645678 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CO[C@@H]1[C@@H](O)C[C@@H]1NC(=O)Cc1ccc(N)cc1 2258681402 IYAKPWWJIJZVNF-GVXVVHGQSA-N 250.298 0.076 10 10 CCCE CCN[C@@H](C(N)=O)[C@H](C)N(C)c1ccc(OC)cc1 2264356773 QETUUDFJHDAJCU-GXFFZTMASA-N 265.357 0.983 10 10 CCCE Cc1cc(NS(=O)(=O)CCON)cc(C)c1O 2302226296 GDULTDKULBJRBM-UHFFFAOYSA-N 260.315 0.641 10 10 CCCE CO[C@@H]1[C@@H](O)C[C@H]1N[C@H](C)c1ccc(O)cc1O 2313159892 HUDYCVPQCJQBBC-SJFDICSNSA-N 253.298 0.897 10 10 CCCE CC(=O)NCCN1CCc2cc(O)c(O)cc2C1 2318665035 HMGFPDGLJSVMLQ-UHFFFAOYSA-N 250.298 0.592 10 10 CCCE Nc1ccc(OCCNC(=O)[C@H]2[C@@H]3CCO[C@@H]32)cc1 2330724622 NRJYKQIUVXXRDA-AVGNSLFASA-N 262.309 0.799 10 10 CCCE O=C(N[C@@H]1C[C@@H]2CN[C@H]1C2)c1cc(O)c(O)c(O)c1 2331867645 BLXAQBIZRARLQK-BWVDBABLSA-N 264.281 0.284 10 10 CCCE C[C@@H](N)c1ccc(N2CC[C@@H](O)[C@@](C)(O)C2)cc1O 2332955756 YUUMAEGSMJCMQR-FZQKWOKYSA-N 266.341 0.734 10 10 CCCE O=C(N[C@H]1CCC[C@@H](O)[C@H]1O)c1cccc(O)c1O 2333446908 XJYDMNXKSLJPDB-XRNSZHNASA-N 267.281 0.102 10 10 CCCE C[C@@H](NCCS(N)(=O)=O)c1ccc(F)cc1O 62745885 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CC(=O)C(=O)COC(=O)c1csc(S(C)(=O)=O)c1 808532208 ODUDZNVRILGFCH-UHFFFAOYSA-N 290.318 0.467 10 10 CCCE CC1(C(N)=O)CN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 843941311 JNTKVKBVVKSFRZ-HWKANZROSA-N 276.292 0.445 10 10 CCCE CN(C)c1ccc([C@H](N)CNC(=O)[C@@H]2CCCNC2)cc1 841845843 FZJQBOIZXKUCCY-UKRRQHHQSA-N 290.411 0.868 10 10 CCCE CNCCOCCNC(=O)NCc1ccc(OC)cc1O 861675398 CZEBYYNXCZWMKI-UHFFFAOYSA-N 297.355 0.436 10 10 CCCE C[C@H]1CN[C@H](C)CN1S(=O)(=O)Cc1ccc(N)cc1 1876526972 IXKBQRCGNITYFP-MNOVXSKESA-N 283.397 0.781 10 10 CCCE O=C(C1CN([C@H]2CCOC2)C1)N1Cc2cccc(O)c2C1 899172670 FUXUYECRSPNOGL-ZDUSSCGKSA-N 288.347 0.955 10 10 CCCE COc1ccc(O)c(CN[C@@H]2CCOC[C@H]2CO)c1 1878773235 BSTRLKFXQAKKCS-DGCLKSJQSA-N 267.325 0.888 10 10 CCCE C[C@H](N)c1cc(F)c(N2CC(O)(C(N)=O)C2)c(F)c1 1880928419 PGPHLMFRHAXPAT-LURJTMIESA-N 271.267 0.021 10 10 CCCE CCN1CCc2cc([C@H](O)c3nnnn3C)ccc21 1885469540 BVIUBGCPRWUKHM-LBPRGKRZSA-N 259.313 0.674 10 10 CCCE COc1ccc(N2[C@@H](C)C(=O)NC(=O)[C@@H]2C)cc1OC 74414601 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COc1ccc(O)c([C@H](C)NC(=O)[C@H]2C[C@H]2C(N)=O)c1 1622779044 HYHAMIFFWKOQTQ-XROYCOCOSA-N 278.308 0.699 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN(S(=O)(=O)N2CC[C@@H](O)C2)C1 1912159931 OMZDUYXHNRKVCY-NXEZZACHSA-N 289.361 0.320 10 10 CCCE Cc1nc(SCC(=O)NCc2c(O)cccc2O)n[nH]1 1652626517 XCHUASBDTSWYQH-UHFFFAOYSA-N 294.336 0.933 10 10 CCCE O=C(C[C@@H]1COC(=O)C1)NCc1cc(O)ccc1O 1593872754 CNNKYSFFTPCFJR-QMMMGPOBSA-N 265.265 0.667 10 10 CCCE C[C@H]1[C@@H](O)CCN1C(=O)COc1ccc(N)cc1 1914429598 FURYRPRRGULTFD-CABZTGNLSA-N 250.298 0.629 10 10 CCCE NCc1ccc(N2CCNC(=O)C2)c(Br)c1 169171237 REDHQFMUMQDYST-UHFFFAOYSA-N 284.157 0.844 10 10 CCCE COc1ccc(N2CCNC[C@H](C(=O)O)C2)cc1 214571689 BUERGSWASYWHQE-JTQLQIEISA-N 250.298 0.806 10 10 CCCE O=C(NCCC1(CO)CC1)c1cc(O)c(O)c(O)c1 2132347938 AILQYTYXDCGVMP-UHFFFAOYSA-N 267.281 0.696 10 10 CCCE O=C(c1cccc(O)c1O)N1CCn2nncc2C1 848269632 GTMPFMWSKLOHTP-UHFFFAOYSA-N 260.253 0.345 10 10 CCCE CN1C[C@@H]2C[C@H](C1)N2c1ccc2c(c1)NC(=O)[C@@H]2N 2131080243 DCQYIBQHWHHZMB-GBIKHYSHSA-N 258.325 0.531 10 10 CCCE O=C(NCC1COCCOC1)c1ccc(O)c(O)c1 2131503088 PZTOJQPPTJEEOZ-UHFFFAOYSA-N 267.281 0.491 10 10 CCCE COc1cc(N2C[C@@H](C)O[C@@H](CO)C2)ccc1CN 2139686438 JPLIIYHJMZZIEI-ZWNOBZJWSA-N 266.341 0.740 10 10 CCCE COc1cccc(CNC2CN(C(N)=O)C2)c1O 1917782657 XDPFHCWVGUUQMQ-UHFFFAOYSA-N 251.286 0.253 10 10 CCCE COc1cccc(O)c1CNC[C@@H]1C[C@H](CO)CO1 1967895571 PFJNMDHMELHYKR-MNOVXSKESA-N 267.325 0.888 10 10 CCCE COc1cccc(CN2CC[C@@](N)(C(=O)O)C2)c1O 229190418 UOXIDDJEVOAYOS-ZDUSSCGKSA-N 266.297 0.389 10 10 CCCE CS(=O)(=O)[C@@H]1COC[C@@H]1NCc1cc(F)ccc1O 2142490953 QNHAGMHIYOXOBS-CMPLNLGQSA-N 289.328 0.433 10 10 CCCE C[C@@H]1CN(CC(=O)c2ccc(O)c(O)c2)C[C@@H](CO)O1 229977026 KLHKQRMMQQWISE-KOLCDFICSA-N 281.308 0.362 10 10 CCCE CSC[C@](C)(O)CNC(=O)COc1ccc(N)cc1 230110092 BGJGHYKELALXEV-CYBMUJFWSA-N 284.381 0.878 10 10 CCCE NCCOCCCNC(=O)c1ccc(O)c(O)c1 230777236 ZUBMZYGLLCCDPF-UHFFFAOYSA-N 254.286 0.193 10 10 CCCE N[C@@H]1CC[C@@H]2C[C@@]12C(=O)NCCc1ccc(O)c(O)c1 1968738530 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OC[C@H](CNCc1ccc(O)c(O)c1O)C1CC1 2029485582 ZKLZYJBOPFJCDN-JTQLQIEISA-N 253.298 0.912 10 10 CCCE Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCCNS(N)(=O)=O 2157531908 INHREZTZEVXMKE-ZJUUUORDSA-N 299.396 0.632 10 10 CCCE COC(=O)[C@@]1(NCCCN=[N+]=[N-])CC(=O)N2CCC[C@@H]21 312418923 OOXYWMAVDPWENL-BXKDBHETSA-N 281.316 0.583 10 10 CCCE CO[C@H]1CN(C(=O)Cc2ccc(N)cc2)C[C@@H]1C(=O)O 702097790 GZLKMSHHMXEVMJ-RYUDHWBXSA-N 278.308 0.369 10 10 CCCE CN1[C@H]2CC[C@H]1C(=O)N(c1ccc(N)c(F)c1)C2=O 704580753 VBZLRJIEJKQHQA-QWRGUYRKSA-N 263.272 0.744 10 10 CCCE C[C@H]1C[C@H](O)CCN1S(=O)(=O)Cc1ccc(N)cc1 705540626 YTMYENFWZBYTNJ-GXFFZTMASA-N 284.381 0.944 10 10 CCCE C[C@H](CO)CN(C)CC(=O)c1ccc(O)c(O)c1 688327459 AOGIHCQWCDHGEW-VIFPVBQESA-N 253.298 0.841 10 10 CCCE C[C@@H]1N[C@@H](c2ccc3c(c2)CCCN3C)C(=O)NC1=O 380596904 YSAZSNZOMISATL-ZANVPECISA-N 273.336 0.745 10 10 CCCE CCS(=O)(=O)[C@H]1CCN(C(=O)c2cccc(O)c2O)C1 2179904836 KJCNYUJWWXJVCE-VIFPVBQESA-N 299.348 0.747 10 10 CCCE COC(=O)[C@H](C)CN(C)C(=O)c1cc(O)c(O)c(O)c1 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N[C@@H]1C(=O)Nc2cc(N3C[C@@H]4C[C@@]4(CO)C3)ccc21 2090119224 NROWQQPJMNLORA-ULSRQLJBSA-N 259.309 0.457 10 10 CCCE NCCCCS(=O)(=O)NCCc1ccc(O)c(O)c1 2091748502 RFWFFSWPZQPITC-UHFFFAOYSA-N 288.369 0.299 10 10 CCCE Nc1ccc(CC(=O)N2C[C@H](F)C[C@H]2C(=O)O)cc1 2095597973 AJPQOIFODFWXDA-KOLCDFICSA-N 266.272 0.835 10 10 CCCE COc1ccc(O)c([C@H](C)N2C[C@H](O)C[C@@H]2C(=O)O)c1 2200879718 WEYKAXCZKVKKLM-YGOYTEALSA-N 281.308 0.982 10 10 CCCE COC(=O)N[C@@H](C)CNC(=O)c1ccc(O)c(O)c1 2274621684 UNYJZQMNJYHSME-ZETCQYMHSA-N 268.269 0.572 10 10 CCCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)[C@H]2CC[C@H](C(=O)O)O2)C1 2225793123 SSLCRIMRPSXYKD-DJLDLDEBSA-N 268.273 0.777 10 10 CCCE COc1ccc(N2C[C@]3(CO)C[C@@]3(CO)C2)c(CO)c1 2236002844 OKHZXMHEENGXQL-GJZGRUSLSA-N 279.336 0.369 10 10 CCCE COc1ccc(N2CC[C@H]3CS(=O)(=O)C[C@H]32)c(CO)c1 2236000220 SATNUFZLCZOFSM-IINYFYTJSA-N 297.376 0.811 10 10 CCCE CC1(C)[C@@H](O)[C@H](O)CN1c1ccc2c(c1)OCCO2 2226769210 BXVFXEXPFYCQQT-MFKMUULPSA-N 265.309 0.778 10 10 CCCE Nc1ccc(CN2C[C@@H]3[C@H]4C[C@H]([C@@H]3C2)[C@@H](O)[C@@H]4O)cc1 2237064422 VINKMJIAVFSEEG-YTQIUSBHSA-N 274.364 0.688 10 10 CCCE NCCCn1cc(NC(=O)c2cc(O)nc(O)c2)cn1 2237708034 MNGRQXOUSIFRKL-UHFFFAOYSA-N 277.284 0.290 10 10 CCCE COc1ccc(N(C)CC(C)(CO)CO)c(CO)c1 2227708159 FGHJPLMLTCAKBV-UHFFFAOYSA-N 269.341 0.615 10 10 CCCE COc1ccc(N2CCNC[C@H]2CO)c(OC)c1C 2278034944 GTPVCVXUXIHQPA-NSHDSACASA-N 266.341 0.783 10 10 CCCE Cc1cc([C@H](C)O)ccc1N1CCOC[C@H]1[C@@H](O)CO 2240846591 MVFICOMBHWJFDM-CQDKDKBSSA-N 281.352 0.607 10 10 CCCE CSc1ncc(CNC[C@@](C)(O)C(=O)O)s1 2243768306 JZYUYENGCCZAGO-SECBINFHSA-N 262.356 0.790 10 10 CCCE Cc1cc(N2C[C@H](O)C[C@@H](O)C2)ccc1[C@@H](C)O 2257465489 PKCLKMNDQXTUIF-RAIGVLPGSA-N 251.326 0.980 10 10 CCCE CN[C@H](C)c1ccc(N2CC[C@H]2[C@H](O)CO)cc1 2258342195 VMVGHDBKRMEXNU-DDTOSNHZSA-N 250.342 0.899 10 10 CCCE COc1cc(OC)c(N2CC[C@H]2[C@H](O)CO)c(OC)c1 2287071372 TWLJVADNTQSUTQ-WDEREUQCSA-N 283.324 0.644 10 10 CCCE COc1ccc(N2CCNNCC2)c(OC)c1C 2263568775 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262.353 0.825 10 10 CCCE CNCc1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CF)cc1Cl 2333235788 OQTJPFAXGUDUBK-UPJWGTAASA-N 288.750 0.939 10 10 CCCE N[C@@H]1C(=O)Nc2cc(N3CCOC[C@H](F)C3)ccc21 2336664426 AFRZZOLVTYNXHU-PELKAZGASA-N 265.288 0.813 10 10 CCCE CN(c1cc2c(cc1N)OCCO2)[C@H]1CNC[C@H]1F 2343622144 MYIGOLNPBSULBN-KCJUWKMLSA-N 267.304 0.786 10 10 CCCE N[C@H]1CCc2cc(N3C[C@@H]4C[C@H]3[C@@H](O)[C@H](O)C4)ccc21 2356172585 BBXIEPKDSQSDOR-AKHZKOQFSA-N 274.364 0.953 10 10 CCCE CN1CCCc2cc([C@@H](C(N)=O)N3CCNCC3)ccc21 50287578 UUXVIAVAVANJOO-HNNXBMFYSA-N 288.395 0.501 10 10 CCCE Cc1cc(CNC(C)C)ccc1N(CC(N)=O)CC(N)=O 61808268 SLHIIXUBVWSVPM-UHFFFAOYSA-N 292.383 0.270 10 10 CCCE C[C@@H]1CCNC[C@H]1NC(=O)c1cccc(O)c1O 126112858 FDADUWNXTHCWLV-PSASIEDQSA-N 250.298 0.826 10 10 CCCE COC[C@H](CCO)NC(=O)Cc1ccc(N)cc1 228100081 OAUSXESXQLHKAV-LBPRGKRZSA-N 252.314 0.325 10 10 CCCE CCOC(=O)[C@H](C)NC(=O)c1cc(O)nc(O)c1 49497288 WFQGVUOENFZNRO-LURJTMIESA-N 254.242 0.174 10 10 CCCE COC(=O)[C@H]1CN(C(=O)COc2ccc(N)cc2)CCO1 132871101 QUEYZLCQCXBTBQ-GFCCVEGCSA-N 294.307 0.048 10 10 CCCE CS(=O)(=O)N1CCc2cc(N3CCOCC3)ccc21 41122103 QEBZWUAMTYNZOU-UHFFFAOYSA-N 282.365 0.845 10 10 CCCE CCN(Cc1ccc(N)cc1)C[C@@H](O)C(=O)OC 385276614 IITZPUGSAYIXKO-GFCCVEGCSA-N 252.314 0.625 10 10 CCCE COC1(OC)CN(CCOc2ccc(N)cc2)C1 93963800 HUAYFKXNKGLTOV-UHFFFAOYSA-N 252.314 0.952 10 10 CCCE NC(=O)CC1CN(CC(=O)c2ccc(O)c(O)c2)C1 382168541 FDJLRZAECHNZSU-UHFFFAOYSA-N 264.281 0.088 10 10 CCCE C/C(=C/CNC(=O)c1ccc(O)c(O)c1)C(=O)O 701334723 LBKGXEOKRGDADF-DAXSKMNVSA-N 251.238 0.859 10 10 CCCE CC(=O)C(=O)COC(=O)[C@@H]1CCCN(CC(F)(F)F)C1 808509052 IGVSQYGAZSCBGC-SECBINFHSA-N 295.257 0.962 10 10 CCCE C[C@@H]1C[C@H]1N(CCO)c1ccc2c(c1)N(C)C(=O)[C@@H]2N 2167110195 UAFUYXFKVIRXLB-GAJTVXKRSA-N 275.352 0.870 10 10 CCCE CNCc1ccc(N2C[C@@H](O)[C@H](OC)C2)c(F)c1 395997650 OOPXKYFTIWUCQN-CHWSQXEVSA-N 254.305 0.741 10 10 CCCE CCN[C@@H]1C(=O)Nc2cc(N(C)CC(N)=O)c(Cl)cc21 723174320 AYUMOPJMYJYPEF-LBPRGKRZSA-N 296.758 0.864 10 10 CCCE C[C@@H](N)c1nnc(CN2C(=O)CSC2=S)o1 714532172 SCLVSJGAIQYRRL-SCSAIBSYSA-N 258.328 0.450 10 10 CCCE CNC(=O)[C@@H]1CCCN1c1ccc2c(c1)NC(=O)[C@H]2N 723185024 FYANGOGMNGMEBH-RYUDHWBXSA-N 274.324 0.353 10 10 CCCE O=C(NCC[C@@]1(O)CCOC1)c1c(F)ccc(O)c1O 846659229 PWNBZJNCEMQJEG-CYBMUJFWSA-N 285.271 0.508 10 10 CCCE CCN(CC)CC[C@@H](CO)NC(=O)c1cccc(O)c1O 848025694 ZQPHOYFJUPOAOU-NSHDSACASA-N 296.367 0.920 10 10 CCCE C[C@H](CC(=O)NCc1ccc(O)c(O)c1)NC(N)=O 847590613 BRUVDEBJHDWQOV-SSDOTTSWSA-N 267.285 0.161 10 10 CCCE Cn1cc(CCOC(=O)c2cc(O)cs2)nn1 859553788 TUTCJRYQVLPICZ-UHFFFAOYSA-N 253.283 0.982 10 10 CCCE Nc1ccc(CS(=O)(=O)N2CC[C@@H]3CNC[C@@H]32)cc1 1876404694 ZVXNHXDGSOOJOZ-YPMHNXCESA-N 281.381 0.392 10 10 CCCE Nc1ccc(OCC(=O)N2C[C@@H](N)C3(CC3)C2)cc1 1876477336 IITJXWHSBKJXLM-GFCCVEGCSA-N 261.325 0.597 10 10 CCCE COC(=O)c1cccc(N)c1N[C@@H]1CCNC[C@@H]1O 1876502000 KICPCYGEYOGDGW-MNOVXSKESA-N 265.313 0.190 10 10 CCCE CN(CCN1CCOCC1)C(=O)Cc1ccc(O)c(O)c1 1136598408 CQDJNUDZXSCOAA-UHFFFAOYSA-N 294.351 0.431 10 10 CCCE COc1ccc(N2CC[C@@](C)(O)[C@@](C)(O)C2)c(N)c1 1880708481 PQUWCRKYDIQVLU-KGLIPLIRSA-N 266.341 0.990 10 10 CCCE COC1CC(CO)(NC(=O)Cc2ccc(N)cc2)C1 1899895362 KTWJMVLSEVFMCX-UHFFFAOYSA-N 264.325 0.467 10 10 CCCE O=C(N[C@@H]1CCN[C@@H]1C1CC1)c1cc(O)nc(O)c1 1885860308 SZDNCSIIPGGCOT-BXKDBHETSA-N 263.297 0.363 10 10 CCCE CS(=O)(=O)N1CC[C@@H](NCc2ccc(F)cc2O)C1 1964573428 JLMGABQZGZUQLU-LLVKDONJSA-N 288.344 0.655 10 10 CCCE CN(C[C@H](O)CCN)c1ccc2c(c1)OCCO2 77434779 GJUFVKMKGRMHHC-LLVKDONJSA-N 252.314 0.604 10 10 CCCE O=C(Cc1ccc(O)c(O)c1)NCC[C@@H](O)C1CC1 1472308755 IBLOXUIPELDKRD-LLVKDONJSA-N 265.309 0.918 10 10 CCCE O=C(O)[C@H](c1ccc(O)cc1O)N1C(=O)CCCC1=O 83587887 ZZKGXNGLXYOXPV-LBPRGKRZSA-N 279.248 0.763 10 10 CCCE COCCN(C(=O)c1cccc(O)c1O)[C@H]1CCOC1 787849310 LWEOFDDMMYWCMW-JTQLQIEISA-N 281.308 0.975 10 10 CCCE CN[C@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)[C@H]1C 2115359163 NXHDKPYWJYPLGK-ONGXEEELSA-N 264.325 0.849 10 10 CCCE [N-]=[N+]=NCCCCN1CC(N2CCN(C=O)CC2)C1 2117996459 PRELUZJEJUYNPE-UHFFFAOYSA-N 266.349 0.535 10 10 CCCE CN(C)c1ccc(CN2CC[C@H](CO)[C@@H](N)C2)cc1 2122333163 CIEXEYBVPQNREZ-HIFRSBDPSA-N 263.385 0.894 10 10 CCCE C[C@@H](CN1CCOCC1)C(=O)NCc1c(O)cccc1O 1558533611 IOZZKUFUJHKWRO-NSHDSACASA-N 294.351 0.682 10 10 CCCE COc1nsc(OC)c1[C@@H](NCCN=[N+]=[N-])C(N)=O 1912204002 UEFISIIJFUCBTD-ZCFIWIBFSA-N 286.317 0.587 10 10 CCCE COc1c[nH]c(C(=O)NCc2c(O)cccc2O)cc1=O 1639292605 JQTGKOASACVCPE-UHFFFAOYSA-N 290.275 0.725 10 10 CCCE [N-]=[N+]=NCCCN[C@@]1(C(N)=O)CCOC12CCOCC2 1912186507 FBHHTKBFJJJFIQ-GFCCVEGCSA-N 283.332 0.470 10 10 CCCE CN1CCN(CCN2CC[C@@H](CN=[N+]=[N-])C2)CC1 1912162189 STEBJYMYSVKNEO-LBPRGKRZSA-N 252.366 0.866 10 10 CCCE COc1ccc2c(c1)NC(=O)C[C@@H]1C[S@](=O)CCN21 218049436 FSXMSRVVGCMRTQ-AYLIAGHASA-N 280.349 0.975 10 10 CCCE Cc1cc(NS(=O)(=O)N2CCC[C@@H](O)C2)ccc1O 1914145185 ZPTDTDXQHQFIHY-LLVKDONJSA-N 286.353 0.814 10 10 CCCE Cn1cc(NS(=O)(=O)Cc2ccc(N)cc2)cn1 35737364 FJGFXGFDMZVNTN-UHFFFAOYSA-N 266.326 0.944 10 10 CCCE N[C@H]1CCCc2cc(N3CC(=O)NC(=O)C3)ccc21 2128271147 MKXJVQRJGLXPNO-LBPRGKRZSA-N 259.309 0.486 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3CCN4C(=O)CC[C@@H]4C3)ccc21 168589406 RCPOPAIYUAHDLU-QMTHXVAHSA-N 286.335 0.450 10 10 CCCE C[C@@H]1CN(c2ccc3c(c2)OCO3)[C@@H](CO)CN1 251745610 RUMYDSCRSUCPJU-MWLCHTKSSA-N 250.298 0.574 10 10 CCCE NC(=O)c1cccc(N)c1N[C@@H]1CC[C@@H]2C[C@]21CO 2132140402 HQNMGXVLKRRQND-UGQGEIBHSA-N 261.325 0.941 10 10 CCCE CCNCc1ccc(N2CC[C@H](O)[C@@H](O)C2)c(F)c1 2132136364 LISJUDZNWFMSEG-KBPBESRZSA-N 268.332 0.867 10 10 CCCE O=C(N[C@H]1CCCC[C@H]1O)c1cc(O)c(O)c(O)c1 2132348745 RJXQIMIULIZZLE-DTWKUNHWSA-N 267.281 0.837 10 10 CCCE CN(CC1CC(O)C1)C(=O)c1cc(O)c(O)c(O)c1 2132348911 VJWVWCCILUNYAT-UHFFFAOYSA-N 267.281 0.646 10 10 CCCE CNCc1ccc(N2CC(CO)(OC)C2)cc1OC 2139696220 FACGFUINUACFHI-UHFFFAOYSA-N 266.341 0.612 10 10 CCCE COc1cc(N2CCO[C@@H]([C@H](C)O)C2)ccc1CN 2139704038 GUCNZBYLUFCNRD-IINYFYTJSA-N 266.341 0.740 10 10 CCCE C[C@@H](N)c1ccc(N2C[C@@H]3[C@H](C(N)=O)[C@@H]3C2)cc1O 2136609760 BFJRKSRIYBXKFG-DRYIUFOISA-N 261.325 0.579 10 10 CCCE CN1CCCN(C(=O)CCc2ccc(N)cc2)CC1=O 228894026 MOBRYODIIRWZTE-UHFFFAOYSA-N 275.352 0.892 10 10 CCCE CC(C)[C@@H](CCO)NC(=O)c1cc(O)nc(O)c1 231107442 LOHSCSSFMZMLQN-SECBINFHSA-N 254.286 0.630 10 10 CCCE NC1CC2(C1)C[C@H]2C(=O)NCCc1ccc(O)c(O)c1 1968738658 CKXTUUAWCWILBW-VTWZXRTESA-N 276.336 0.884 10 10 CCCE CNCc1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CF)cc1C 2140661476 GTMDJJZSBIDLNJ-IHRRRGAJSA-N 268.332 0.594 10 10 CCCE COCC1(CNC(=O)Cc2ccc(N)cc2)COC1 2138369507 QFPZGLRONRUWRO-UHFFFAOYSA-N 264.325 0.591 10 10 CCCE CS[C@@H]1COC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2142581074 COOPUQRVWYVZQF-OIBJUYFYSA-N 285.321 0.664 10 10 CCCE CN(C[C@H]1CCS(=O)(=O)N1)c1ccc(N)cc1 1942334108 YKJGNBANPSFHMV-SNVBAGLBSA-N 255.343 0.397 10 10 CCCE CN1C(=O)[C@H](N)c2ccc(N3C[C@H](O)C(F)(F)C3)cc21 2152095900 HYKHPNQVOOVOKP-WDEREUQCSA-N 283.278 0.479 10 10 CCCE CC(C)(NCc1cc2c(cc1O)OCO2)c1nn[nH]n1 2151074159 SOLOVACLDRNGKL-UHFFFAOYSA-N 277.284 0.659 10 10 CCCE COCCn1nnnc1Sc1ncc(C=O)s1 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CC(C)N(c1ccc(CN)cc1)[C@H]1CS(=O)(=O)C[C@@H]1O 2155609542 JLLHIEMTRGGFCT-KBPBESRZSA-N 298.408 0.518 10 10 CCCE C[C@@H]1OCCO[C@@H]1CNCc1ccc(O)c(O)c1 2027196316 YZQMOROZPMRZQX-TVQRCGJNSA-N 253.298 0.991 10 10 CCCE Oc1ccc(CN[C@@H]2C[C@@H]3COC[C@@H]32)c(O)c1O 2027341453 ULKSUYCXPPNDBG-KXUCPTDWSA-N 251.282 0.928 10 10 CCCE C[S@@](=O)CC[S@](=O)CC(=O)c1ccc(O)c(O)c1 2029177127 HPQXEBCVJOMLAI-MSOLQXFVSA-N 290.362 0.408 10 10 CCCE O=C1CC[C@@H](CNCCc2ccc(O)c(O)c2)N1 2031082245 JBTOZEFRCYTJRD-JTQLQIEISA-N 250.298 0.509 10 10 CCCE C[C@H](c1c(O)cccc1O)N1CCOC[C@H](N)C1 2034714752 LECPJWIFVBCXLR-NXEZZACHSA-N 252.314 0.818 10 10 CCCE CC(C)[C@H](O)CN(CC(N)=O)Cc1ccc(N)cc1 311799565 BMLHINCWYCQWCU-CYBMUJFWSA-N 265.357 0.573 10 10 CCCE Cn1cnnc1CCCNCc1ccc(O)c(O)c1O 312450994 ACDONCMGULOLNT-UHFFFAOYSA-N 278.312 0.654 10 10 CCCE [N-]=[N+]=NCCCNC(=O)CNS(=O)(=O)c1ccccc1 701282817 XGXMHMCROATXJD-UHFFFAOYSA-N 297.340 0.782 10 10 CCCE C[C@@H]1C[C@@H](O)CCN1C[C@H](O)COc1ccc(N)cc1 706033585 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264.281 0.240 10 10 CCCE CNC(=O)N[C@H]1CCN(C(=O)c2cccc(O)c2O)C1 1296169802 KSJDITZMHVKJKW-QMMMGPOBSA-N 279.296 0.241 10 10 CCCE Cc1cncn1CC(=O)NCc1c(O)cccc1O 1456315518 JPQIODHIOZCAQY-UHFFFAOYSA-N 261.281 0.919 10 10 CCCE CC(C)(NC(=O)Cc1ccc(N)cc1)[C@H](O)C(=O)O 2120321608 VNUWOTPWDOGIBX-LLVKDONJSA-N 266.297 0.152 10 10 CCCE NCc1ccc(N2CC[C@@]3(CNC(=O)N3)C2)cc1F 2121211011 KAAQCHIJMDQHOE-CYBMUJFWSA-N 264.304 0.546 10 10 CCCE Cc1ccc(NNC=C2C(=O)NC(=O)NC2=O)c(C)c1 1548338178 UALFXGRFKULWIN-UHFFFAOYSA-N 274.280 0.470 10 10 CCCE CCCNC(=O)NC(=O)CN1CCC[C@@H]1CN=[N+]=[N-] 2123020392 PLDCFIBXLZRHBR-SECBINFHSA-N 268.321 0.997 10 10 CCCE CS(=O)(=O)[C@@H]1CCN(C(=O)c2ccc(O)c(O)c2)C1 2123326940 OSTIDOGPTQJGRY-SECBINFHSA-N 285.321 0.357 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN(C(=O)[C@@H]2CNC(=O)C2)C1 1912191181 OEZGFUBSTPLYSW-BDAKNGLRSA-N 251.290 0.671 10 10 CCCE C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)C[C@@H]1O 1648665672 KRHGCOGCKFEIFZ-MUWHJKNJSA-N 255.245 0.690 10 10 CCCE NC(=O)[C@H]1CC[C@@H](NC(=O)Cc2ccc(O)c(O)c2)C1 1570275767 IVGIVADZMBBEML-VHSXEESVSA-N 278.308 0.411 10 10 CCCE C[C@H](C(=O)O)N1CC(NCc2c(O)cccc2F)C1 2131773422 KDRLBIMJCMLFLJ-MRVPVSSYSA-N 268.288 0.778 10 10 CCCE Cc1cc2c(cc1N(C)C[C@@H](N)CC(=O)O)OCO2 258835078 DMFMROWCSQISTB-VIFPVBQESA-N 266.297 0.962 10 10 CCCE CN1CCN(C(=O)c2cc(O)c(O)c(O)c2)[C@H]2C[C@H]21 2132407007 LZZGNNGVEHASOG-BDAKNGLRSA-N 264.281 0.332 10 10 CCCE CN(Cc1ccccc1O)C(=O)C[C@@H]1COC[C@H]1N 2131390963 HLYBKHBXMCXUNU-VXGBXAGGSA-N 264.325 0.714 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3CC(CO)(CO)C3)c(Cl)cc21 1914971111 OCTYSZDIQPPLJM-LLVKDONJSA-N 297.742 0.083 10 10 CCCE [N-]=[N+]=NC[C@H]1CCCN1[C@@H]1CC(CO)(CO)C[C@H]1O 2141455335 ZNAMTSLWZLTQJH-GMTAPVOTSA-N 270.333 0.255 10 10 CCCE CCN(C(=O)COc1ccc(N)cc1)C1COC1 1915742412 PDJCVPPVNJGGIA-UHFFFAOYSA-N 250.298 0.895 10 10 CCCE O=C(N[C@H]1CCNCC[C@@H]1CO)c1ccc(O)c(O)c1 1921717487 BYWMRVMCBMNWIW-MNOVXSKESA-N 280.324 0.188 10 10 CCCE COc1cc(N2CC[C@](C)(O)[C@H](O)C2)ccc1CN 2139682718 LKFFECOWNJWLTG-KGLIPLIRSA-N 266.341 0.476 10 10 CCCE CC(=O)NCCNC(=O)[C@H]1CNc2ccccc2N1 229877390 WNTHEPYVKUDOHZ-GFCCVEGCSA-N 262.313 0.145 10 10 CCCE Nc1ccc(OC[C@@H](O)CN(CCO)CC(F)F)cc1 231311545 VPVVEKSUIJWFGH-NSHDSACASA-N 290.310 0.568 10 10 CCCE C[C@H](CN)N1CCN(C(=O)c2cccc(O)c2O)CC1 125947263 NOZQZYHNPXHYMM-SNVBAGLBSA-N 279.340 0.203 10 10 CCCE COC(=O)[C@@H]1CNC[C@@H]1c1ccc(O)c(CN(C)C)c1 1952118837 HXZDYYUMNNODTC-CHWSQXEVSA-N 278.352 0.930 10 10 CCCE CCOC(=O)[C@H](N)[C@H](OC)c1ccc(O)c(O)c1O 1952365955 XKRAJIQEBZVZKZ-LDYMZIIASA-N 271.269 0.381 10 10 CCCE O=C(c1cccc(O)c1O)N1C[C@@H]2CC[C@H](O)[C@H]2C1 253089526 GWJOWCSDUAFIQL-LSJOCFKGSA-N 263.293 0.941 10 10 CCCE CCCNCc1ccc(N2CC(OCC(N)=O)C2)cc1 2145377352 MMHMFYVUWUHJDK-UHFFFAOYSA-N 277.368 0.877 10 10 CCCE CCCNC(=O)CN(CC(N)=O)Cc1ccc(N)cc1 35366649 TTZMIZORPCELPC-UHFFFAOYSA-N 278.356 0.082 10 10 CCCE C[C@@H]1CO[C@@H](CO)CN1C(=O)Cc1ccc(N)cc1 167721721 VIRMZZVVEKIAQY-ZWNOBZJWSA-N 264.325 0.420 10 10 CCCE O=c1nc(C2=S=Nc3ccccc32)[nH]c2c1CCNC2 2159962757 GQNAGGLAFLLCMC-UHFFFAOYSA-N 284.344 0.896 10 10 CCCE COC[C@@H]1CNCCN1Cc1ccc(O)c(O)c1 2028148455 XMSCDINCKMNHOY-NSHDSACASA-N 252.314 0.518 10 10 CCCE C[C@H](C(=O)Cc1ccc(N)cc1)S(=O)(=O)N(C)C 2029074028 ICDYZGYXJCZCCJ-SECBINFHSA-N 270.354 0.660 10 10 CCCE NCc1ccc(N2C[C@H](CO)C[C@H]2CO)cc1Cl 2029382412 BRAUWYZZBUYINO-SKDRFNHKSA-N 270.760 0.978 10 10 CCCE COC[C@](C)(O)CNCc1ccc(OC)cc1O 69912471 JTEYBEXCPNAFEH-CYBMUJFWSA-N 255.314 0.888 10 10 CCCE C[C@H]1SCC[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 313451598 BWLWLSOWOSFKIC-MIMYLULJSA-N 296.392 0.978 10 10 CCCE Cc1nc(CN(C)c2ccc3c(c2)NC(=O)[C@H]3O)no1 2160429760 DFHOMLHMDTVEBH-LBPRGKRZSA-N 274.280 1.000 10 10 CCCE CN(C(=O)c1ccc(O)c(O)c1)[C@H]1CCCCNC1=O 2171076120 CXJGHGBTVFMBRQ-JTQLQIEISA-N 278.308 0.839 10 10 CCCE O=C1NC(=S)NC1=Cc1ccc(N2CCOCC2)cc1 2053490470 WLCWIEPYXAHXOT-UHFFFAOYSA-N 289.360 0.868 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N3CC(CN(C)C)C3)ccc21 382370507 ZQUGHCQXECTYDX-CQSZACIVSA-N 274.368 0.897 10 10 CCCE COc1ccc(CN[C@@H]2CCCN(CCO)C2)c(O)c1 384416521 RTDRHNQWBFHLKN-CYBMUJFWSA-N 280.368 0.947 10 10 CCCE CN[C@H]1C(=O)Nc2cc(N3C[C@H]4C[C@H]3C[C@H]4O)ccc21 2172092227 IZTDGPUMRVXIGU-ZLBRTTDGSA-N 273.336 0.859 10 10 CCCE C[C@@H](N[C@H]1CN(C)NC1=O)c1cc(O)ccc1O 393910501 YQYNZEWOOPHOJX-XCBNKYQSSA-N 251.286 0.094 10 10 CCCE C[C@@H]1CC[C@H](O)CN1C[C@H](O)COc1ccc(N)cc1 399462861 KAQXGKSFPCQPCU-XBFCOCLRSA-N 280.368 0.854 10 10 CCCE C[C@@H](NC(=O)c1cc(O)nc(O)c1)[C@H](N)c1ccco1 2172883502 HENHZFNSXCNLAZ-KRTXAFLBSA-N 277.280 0.904 10 10 CCCE CCCS(=O)(=O)NC1CN(c2ccc(OC)cc2N)C1 2165622832 NRGOITISCQKADZ-UHFFFAOYSA-N 299.396 0.795 10 10 CCCE Nc1ccc(CCC(=O)NC[C@@]2(O)CCCOC2)cc1 2168097619 HEFUSWCWTWIXSN-HNNXBMFYSA-N 278.352 0.859 10 10 CCCE CN[C@H](c1ccccc1O)[C@@]1(O)CO[C@]2(CCOC2)C1 2178948440 MKHFGHSSFPFGLW-KFWWJZLASA-N 279.336 0.963 10 10 CCCE COc1cccc(O)c1CNCC1[C@@H]2CS(=O)(=O)C[C@@H]12 2174621243 DUEGKEXRDFOAPI-RYUDHWBXSA-N 297.376 0.781 10 10 CCCE CN1C[C@@H]2C[C@H](C1)N2C(=O)CCOc1ccc(N)cc1 2187623244 AJHFZKGKDIQBLL-BETUJISGSA-N 275.352 0.953 10 10 CCCE CC(=O)N1CCN(c2ccc(CO)c([N+](=O)[O-])c2)CC1 2188571494 GGPTVECSDJOZNU-UHFFFAOYSA-N 279.296 0.756 10 10 CCCE Nc1cc2c(cc1N1CC(C3CNC3)C1)NC(=O)CO2 2196639159 TYCALDOTKYQKBU-UHFFFAOYSA-N 274.324 0.255 10 10 CCCE COCC[C@](C)(O)CNC(=O)c1cc(O)c(O)c(O)c1 2188867516 BXHRJENLPAPJOO-ZDUSSCGKSA-N 285.296 0.321 10 10 CCCE C[C@]1(C(N)=S)CCN(C(=O)c2cc(O)c(O)c(O)c2)C1 2188915738 KPYAVUWQVUECHE-ZDUSSCGKSA-N 296.348 0.942 10 10 CCCE C[C@@H](N)c1ccc(N2CC3(C2)OC[C@H](O)[C@@H]3O)c(F)c1 2183627235 OSXRMRGTOMZWIL-JCOFBHIZSA-N 282.315 0.156 10 10 CCCE Nc1ccc(OC[C@@H](O)COCCn2cncn2)cc1 2184448990 ZTHIVDIROFFDSA-LBPRGKRZSA-N 278.312 0.317 10 10 CCCE COC(=O)[C@@](C)(CS(C)(=O)=O)NCCCN=[N+]=[N-] 2050965787 ICOWSJOWYLZBTI-SECBINFHSA-N 278.334 0.253 10 10 CCCE CC(C)S(=O)(=O)C[C@@](C)(NCCN=[N+]=[N-])C(=O)O 2051045030 WVFDJQIORPSVMD-SECBINFHSA-N 278.334 0.553 10 10 CCCE C[C@H](O)[C@H]1CN(c2ccc(CN)cc2F)CCO1 2053850539 YKJLPYNWGOPZLA-TVQRCGJNSA-N 254.305 0.870 10 10 CCCE O=C(NCc1ccccc1O)[C@@H](F)CC1CNC1 2058244316 XKMBSRWXKKASFU-NSHDSACASA-N 252.289 0.956 10 10 CCCE [N-]=[N+]=NCCCN[C@H](C(N)=O)[C@@H]1[C@@H]2CCOC[C@H]21 2060953152 XOLSRRCFFYQQKG-KYXWUPHJSA-N 253.306 0.413 10 10 CCCE COC[C@@]1(NS(=O)(=O)Cc2ccc(N)cc2)CCNC1 2191626407 QQUUDQUMXDHGME-CYBMUJFWSA-N 299.396 0.067 10 10 CCCE CN(C(=O)CCOc1ccc(N)cc1)[C@H]1[C@@H]2CNC[C@@H]21 2191667311 GUPKFUIMVROJKH-NHAGDIPZSA-N 275.352 0.714 10 10 CCCE Nc1ccc(OCC(=O)N[C@H]2CNCC23CCC3)cc1 2191758174 PHDJAMGPNYOESG-ZDUSSCGKSA-N 275.352 0.906 10 10 CCCE Nc1ccc(OCC(=O)N2CC[C@H]3NCC[C@H]3C2)cc1 2191718964 DGMSJCXPHLDELP-SMDDNHRTSA-N 275.352 0.858 10 10 CCCE Nc1cc2c(cc1N1CC[C@H](N)[C@@H](CO)C1)OCCO2 2191790444 OXWUDJZTMYVFRB-ZJUUUORDSA-N 279.340 0.186 10 10 CCCE Nc1ccc(CS(=O)(=O)NC[C@H]2C[C@H](N)C2)cc1 2071667016 FBEMJYKXPLBSBB-UMSPYCQHSA-N 269.370 0.426 10 10 CCCE COc1cccc(CN[C@]2(CO)C[C@H](O)C2)c1O 2076628002 MEEYADWTZCQAOZ-GSJFWJNXSA-N 253.298 0.376 10 10 CCCE O=C(O)C1(CO)CN(Cc2cc(F)ccc2O)C1 2081049372 MAFCKCKDLHHFNI-UHFFFAOYSA-N 255.245 0.410 10 10 CCCE CN(C)[C@H]1CC[C@H]1NC(=O)COc1ccc(N)cc1 2101502347 HQUFUGQNSNGBJV-OLZOCXBDSA-N 263.341 0.856 10 10 CCCE Nc1ccc(NC(=O)CN2C(=O)[C@H]3C=C[C@H]2C3)cc1 2104370095 QELCCEURTPIEGJ-CABZTGNLSA-N 257.293 0.994 10 10 CCCE CCN1CCc2cc([C@H](O)[C@H](N)CN(C)C)ccc21 2106805442 NUFQGEDITSRQFX-HIFRSBDPSA-N 263.385 0.991 10 10 CCCE CCNCc1ccc(N2CC(NC(N)=O)C2)c(C)c1 2106927942 OFWKDISNGWETKT-UHFFFAOYSA-N 262.357 0.961 10 10 CCCE NC(=O)COC1CN(CCCc2ccc(N)cc2)C1 2089132759 GSBYQPTVQZENKM-UHFFFAOYSA-N 263.341 0.388 10 10 CCCE CNCc1ccc(N2C[C@H](CO)C[C@H]2CO)c(C)c1 2089870682 SCZYRKMAIZGHSW-KGLIPLIRSA-N 264.369 0.894 10 10 CCCE CN(CCCN=[N+]=[N-])C[C@H](O)CN1CCCCC1=O 2113451750 FUFDBZVZWCDZEK-NSHDSACASA-N 269.349 0.992 10 10 CCCE CN1CCN(CCOc2ccc(N)cc2)[C@H](CCO)C1 2202831364 WDOXTKHBTSTVGT-CQSZACIVSA-N 279.384 0.646 10 10 CCCE Cc1ccc(CN[C@H](C(=O)O)C2CS(=O)(=O)C2)c(O)c1 2204630225 UDOHYLAPDKDTRP-LBPRGKRZSA-N 299.348 0.288 10 10 CCCE Cc1ccc(O)c(CNCc2noc(C(N)=O)n2)c1 2270258093 VKHCJJCMLGHMDF-UHFFFAOYSA-N 262.269 0.472 10 10 CCCE CO[C@@H]1[C@H](OC)CN(c2ccc(CN)c(F)c2)[C@@H]1CO 2233351202 AAQAFOHSXMMOLP-MCIONIFRSA-N 284.331 0.495 10 10 CCCE CC1(C)COc2ccc(N3CC[C@@](O)(C(N)=O)C3)cc21 2235042323 MVGGCNHXNHLNGD-HNNXBMFYSA-N 276.336 0.783 10 10 CCCE COc1ccc(N2CC[C@H]2[C@H](O)CO)c([N+](=O)[O-])c1 2270702857 DDQLIHKZVUOALI-CMPLNLGQSA-N 268.269 0.535 10 10 CCCE CC1(CS(=O)(=O)NCc2cc(N)ccc2O)COC1 2271530605 SVMBSYYCVJOSDM-UHFFFAOYSA-N 286.353 0.430 10 10 CCCE O=C1CCC[C@H](C(=O)c2nnn3ccccc23)C1=O 2273515689 UOALZEBZALCVQN-QMMMGPOBSA-N 257.249 0.850 10 10 CCCE N[C@@H]1C[C@@]12C[C@H]2C(=O)NCCc1ccc(O)c(O)c1 2268140867 YWCMHTYLJZKFOI-MRCXROJRSA-N 262.309 0.494 10 10 CCCE CC(C)(CN)OCCNC(=O)c1ccc(O)c(O)c1 2278313549 FVZLDASBEMRNCB-UHFFFAOYSA-N 268.313 0.582 10 10 CCCE COc1ccc(N(C)C[C@@H]2CO[C@H]3CNC[C@H]3O2)cc1 2279787367 HFRKIWPXSHTLDL-QLFBSQMISA-N 278.352 0.887 10 10 CCCE O=C(NCCc1ccc(O)c(O)c1)[C@H]1[C@@H]2C[C@H]1CN2 2296750131 LMZGGJUAHHIDPQ-OUJBWJOFSA-N 262.309 0.364 10 10 CCCE Nc1ccc(CN2C[C@@H]3CS(=O)(=O)[C@H]3C2)cc1 2299793898 AGOVGVWDDDEKNT-PWSUYJOCSA-N 252.339 0.498 10 10 CCCE O=C(N[C@H]1[C@@H]2CCO[C@@H]21)c1cc(O)c(O)c(O)c1 2310734478 LFXPKBSDAKWUCI-IHBFAXJASA-N 251.238 0.321 10 10 CCCE CCN(CCN=[N+]=[N-])[C@@H]1CC(CO)(CO)C[C@@H]1O 2315986781 IHIYPLWZAGQHBI-ZJUUUORDSA-N 258.322 0.113 10 10 CCCE N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2NC(=O)c1cc(O)nc(O)c1 2329593000 OJOJJUIZIBZCLI-MFDQJXRNSA-N 263.297 0.348 10 10 CCCE COc1c(F)cc(COc2nnc(=N)[nH]n2)cc1F 2338153642 UYKPRSSGEROSSW-UHFFFAOYSA-N 269.211 0.545 10 10 CCCE CN1CCCc2cc([C@H](C(N)=O)N3CCNCC3)ccc21 50287579 UUXVIAVAVANJOO-OAHLLOKOSA-N 288.395 0.501 10 10 CCCE C[C@@H](N)CCC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 70317293 HMOCXMYKEPTSHL-PSASIEDQSA-N 296.323 0.337 10 10 CCCE C[C@H](N[C@@H]1CCN(C)C1=O)c1ccc(O)cc1O 230226936 JNGFMMGGAFOHTM-GZMMTYOYSA-N 250.298 0.979 10 10 CCCE CC(=O)N(c1ccc(N)cc1)S(=O)(=O)N1CCCC1 244180078 VIPGRJFJTFRGOK-UHFFFAOYSA-N 283.353 0.962 10 10 CCCE Nc1ccc(OCCC(=O)NCCOCCO)cc1 52924935 UDIMFLSVJCYBOA-UHFFFAOYSA-N 268.313 0.163 10 10 CCCE CN1CCN(C(=O)CN)Cc2cc3c(cc21)OCCO3 527431909 GLLPCOMMPDWASE-UHFFFAOYSA-N 277.324 0.195 10 10 CCCE [N-]=[N+]=N[C@H](O)[C@@H]1O[C@H](OCc2ccccc2)C[C@H](O)[C@H]1O 381764657 MXHAQMCTKATYEI-KIJLLGNVSA-N 295.295 0.669 10 10 CCCE COC(=O)c1cncc(C(=O)OCC(=O)C(C)=O)c1 808533537 PXJVDBBFQINNPH-UHFFFAOYSA-N 265.221 0.183 10 10 CCCE C[C@H](N)c1ccc(N2CCN(CC(N)=O)CC2)c(Cl)c1 723181414 FNZKPEWFHGUWDF-JTQLQIEISA-N 296.802 0.967 10 10 CCCE N[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)C[C@H]1C(F)(F)F 720873171 MFBYRDMUBFUZOB-RNFRBKRXSA-N 291.229 0.454 10 10 CCCE Oc1c(F)cccc1CN1CCOC2(CNC2)C1 853249347 PWGQKASYFUCFQL-UHFFFAOYSA-N 252.289 0.706 10 10 CCCE CN1CC[C@@H](CN(CC(N)=O)Cc2ccc(N)cc2)C1 691382997 AGFMGWQHNWGUDS-CYBMUJFWSA-N 276.384 0.508 10 10 CCCE C[C@H]1CN(CCO)[C@H](C)CN1C(=O)c1cc(O)cs1 854955078 PTFIUMROHNCMRE-ZJUUUORDSA-N 284.381 0.981 10 10 CCCE CCON(CC)C(=O)CNC(=O)c1cc(O)cs1 862623432 UXCTVRSVHZERCC-UHFFFAOYSA-N 272.326 0.984 10 10 CCCE C[C@@H](N)[C@H]1CN(C(=O)Nc2ccc(N)cc2)CCO1 1876152700 JNNXIGLSXSNINY-BXKDBHETSA-N 264.329 0.849 10 10 CCCE Nc1ccc(NC(=O)NC[C@@H]2C[C@@H](CO)CO2)cc1 1876148487 GVIUYBIDCBTMKN-CABZTGNLSA-N 265.313 0.788 10 10 CCCE NC[C@H]1CN(C(=O)CCc2ccc(N)cc2)CCO1 1876439240 HOLNAYTWZBTUMU-ZDUSSCGKSA-N 263.341 0.388 10 10 CCCE CCn1cc(N)c(C(=O)NCc2ccc(N)cc2)n1 1876514180 KOPORZLSWQCNKJ-UHFFFAOYSA-N 259.313 0.997 10 10 CCCE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(N=[N+]=[N-])C1 1885560253 ADRLAHRPVFYDLM-IONNQARKSA-N 299.331 0.782 10 10 CCCE CN(Cc1ccccc1O)c1cc(=O)n(C)c(O)n1 1307074150 WKBGAFJJJRTUIB-UHFFFAOYSA-N 261.281 0.828 10 10 CCCE C[C@](O)(CNC(=O)CCc1ccc(N)cc1)C(=O)O 134696915 PXGADDDEFISFBJ-ZDUSSCGKSA-N 266.297 0.153 10 10 CCCE O=C(O)[C@@]1(O)CCCN(Cc2ccc(O)cc2O)C1 1891192272 CAYIXSWGTJRIDP-CYBMUJFWSA-N 267.281 0.509 10 10 CCCE O=C(O)[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)C1 62117547 TVIUUKYMFWLLQS-LURJTMIESA-N 252.226 0.040 10 10 CCCE O=C1CCN(CC(=O)c2ccc(O)c(O)c2)CCN1 62101465 DEGPCCFTKDVRII-UHFFFAOYSA-N 264.281 0.102 10 10 CCCE N[C@H](C(=O)NCc1ccc[nH]1)c1cc(O)ccc1O 83444385 GGGTUEOINPCQGT-LBPRGKRZSA-N 261.281 0.742 10 10 CCCE C[C@H]1CO[C@H](CO)CN1c1ccc(CN)cc1F 167797387 APPUCHXBVHTEOT-ONGXEEELSA-N 254.305 0.870 10 10 CCCE CCn1nnc(CNCCc2ccc(O)c(O)c2)n1 1892974949 VDKPHHALIREGMV-UHFFFAOYSA-N 263.301 0.437 10 10 CCCE NC[C@@H]1CCO[C@@H]1C(=O)NCc1ccccc1O 715468020 QMBDRAUELIGVLG-CABZTGNLSA-N 250.298 0.372 10 10 CCCE CN1CCN(c2cc3c(cc2N)OCCO3)[C@@H](CO)C1 699456887 MHHUKLUTURGQFV-SNVBAGLBSA-N 279.340 0.153 10 10 CCCE Nc1ccc(NC(=O)N2C[C@H](O)C[C@H]2CO)cc1 698161241 ZSSQTVIQAXXICF-WDEREUQCSA-N 251.286 0.228 10 10 CCCE C[C@@H]1C[C@H]1N(C)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 2116298642 FUTDYHALSXYMFR-DVVUODLYSA-N 264.325 0.834 10 10 CCCE N=c1[nH][nH]cc1C(=O)NCCc1ccc(O)c(O)c1 2117501170 FDJLUADNSDHSQG-UHFFFAOYSA-N 262.269 0.206 10 10 CCCE CS(=O)(=O)N1CC[C@H](OCCc2ccc(N)cc2)C1 2119731020 RABIHUDRBRKZMN-ZDUSSCGKSA-N 284.381 0.862 10 10 CCCE N[C@H]1C(=O)Nc2cc(N3CC=CC[C@H]3CO)ccc21 2119815131 IMALNRZQHJIOFP-GXFFZTMASA-N 259.309 0.766 10 10 CCCE CC(C)(C)[C@H](NC(N)=O)C(=O)NCc1cc(O)ccc1O 1471661857 FMPPYTHVJZLLCJ-LLVKDONJSA-N 295.339 0.797 10 10 CCCE CC(C)NC(=O)[C@H](C)NC(=O)Cc1ccc(O)c(O)c1 1629947802 YSGVTVFPBHKOTD-VIFPVBQESA-N 280.324 0.670 10 10 CCCE [N-]=[N+]=N[C@H]1CCN(CC(=O)NC(=O)c2ccco2)C1 1912205853 CPEUMAPIRKAJLH-QMMMGPOBSA-N 263.257 0.921 10 10 CCCE CN(CCCN=[N+]=[N-])S(=O)(=O)c1cn(C)nn1 1912155567 IFOHBQJYGHOZSF-UHFFFAOYSA-N 259.295 0.136 10 10 CCCE [N-]=[N+]=NC1CN(CCS(=O)(=O)C(F)(F)F)C1 1912185339 OLBCCWVQCQBXAK-UHFFFAOYSA-N 258.225 0.916 10 10 CCCE CNCc1ccc(N2C[C@@H](O)[C@H](O)C2(C)C)c(F)c1 2124795843 LCNRICWXYVKZHI-OLZOCXBDSA-N 268.332 0.866 10 10 CCCE C[C@@H]1C[C@H](C(=O)O)N1C(=O)c1cccc(O)c1O 1913162193 VXWUSZLEGHVQQZ-HTRCEHHLSA-N 251.238 0.785 10 10 CCCE NC(=O)N=Nc1ccc(C(=O)NCCn2cncn2)cc1 1585098484 SKDGXPUKTFKKKP-UHFFFAOYSA-N 287.283 0.871 10 10 CCCE Cc1cc(NS(=O)(=O)N2CCC[C@H](O)C2)ccc1O 1914145186 ZPTDTDXQHQFIHY-NSHDSACASA-N 286.353 0.814 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@@H](CN)[C@H]1CCOC1 1966851741 WEIHYTOFEKJOJV-STQMWFEESA-N 278.352 0.962 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@H]1[C@@H]2OCCN[C@@H]21 1966850683 NJMOUGLDEWGPSR-UPJWGTAASA-N 262.309 0.337 10 10 CCCE CN(C[C@@H](O)CO)c1ccc2c(c1)CCC(=O)N2C 258996844 MVBXNPXENLOHKK-GFCCVEGCSA-N 264.325 0.385 10 10 CCCE CNC[C@@H]1CN(c2ccc(OC)c(OC)c2)CCN1 259119506 CBKPVPKFUNXRSW-LLVKDONJSA-N 265.357 0.701 10 10 CCCE CN(c1ccc(CO)c([N+](=O)[O-])c1)[C@H]1CCNC1=O 2132060518 XMZTUNMPJAKGFC-JTQLQIEISA-N 265.269 0.412 10 10 CCCE Nc1ccc(OCC(=O)OC[C@@H]2COC(=O)C2)cc1 2131149648 NHNARUHZIWMCOL-VIFPVBQESA-N 265.265 0.754 10 10 CCCE C[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)CC[C@H]1O 2132348665 QCQKSIWWNJGRQV-VXNVDRBHSA-N 267.281 0.646 10 10 CCCE N[C@H]1C[C@H]2C[C@H]1N(C(=O)c1cc(O)c(O)c(O)c1)C2 2132400470 MXJNDYMDKDXMAO-CNUIFLNQSA-N 264.281 0.365 10 10 CCCE C[C@]1(O)CN(C(=O)Nc2ccc(N)cc2)CC[C@@H]1O 2136846332 LEAPWQXVXQGRJF-AAEUAGOBSA-N 265.313 0.618 10 10 CCCE CNC1(C(=O)NCCc2ccc(O)c(O)c2)CC1 1968739086 KPMGHSDYLKICQW-UHFFFAOYSA-N 250.298 0.509 10 10 CCCE CCN(C[C@@H]1CCCN1)C(=O)c1cc(O)nc(O)c1 233504809 VXPIMBDXHYUNNZ-JTQLQIEISA-N 265.313 0.707 10 10 CCCE CC[C@H](O)CN(C)C(=O)Cc1ccc(O)c(O)c1 1971162143 WYJQRVKDLKGXAO-JTQLQIEISA-N 253.298 0.870 10 10 CCCE CN1C(=O)[C@H](O)c2ccc(N3C[C@@H](O)C4(CC4)C3)cc21 2149755507 WTPNOTHLUXPYQY-CHWSQXEVSA-N 274.320 0.658 10 10 CCCE CC(=O)C(=O)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 1951759281 MWHWIBXEMUSYTL-QMMMGPOBSA-N 293.341 0.082 10 10 CCCE COc1ccc(CNC[C@](C)(O)CN(C)C)c(O)c1 131361951 AUSDYCGVYCFAGQ-AWEZNQCLSA-N 268.357 0.803 10 10 CCCE CN(C)C[C@](C)(O)CNCc1cc2c(cc1O)OCO2 131550390 IJSUWPFDVDNCBX-CQSZACIVSA-N 282.340 0.523 10 10 CCCE NC[C@H]1C[C@H](C(=O)NCCc2ccc(O)c(O)c2)CO1 2148016974 SOZYOWKNMKEQPW-WDEREUQCSA-N 280.324 0.120 10 10 CCCE CO[C@@H]1CN[C@H](C(=O)NCCc2ccc(O)c(O)c2)C1 2148002756 DIDVSDWDVXXSNE-QWRGUYRKSA-N 280.324 0.133 10 10 CCCE O=C1CO[C@]2(CCNC2)CN1Cc1ccccc1O 257956065 LUWWRBALVPNUKW-AWEZNQCLSA-N 262.309 0.483 10 10 CCCE CN1CCc2cc([C@H](O)[C@H](N)c3cnn(C)n3)ccc21 2148346786 SBFHLOQUZZPSGC-KGLIPLIRSA-N 273.340 0.541 10 10 CCCE COC(=O)C[C@H](N)c1cc(S(C)(=O)=O)ccc1O 260280717 AMLXWKAHPTUEQK-VIFPVBQESA-N 273.310 0.359 10 10 CCCE CNC(=O)C1CCN(Cc2cc(N)ccc2O)CC1 36127459 GQZUIDSSAYVWRT-UHFFFAOYSA-N 263.341 0.932 10 10 CCCE COC(=O)CCNC(=O)CCOc1ccc(N)cc1 40305495 MPRVOMAATDJFTI-UHFFFAOYSA-N 266.297 0.717 10 10 CCCE COCCNCc1ccc(N2CC(OCCO)C2)cc1 2152288678 JDJGHIUVKITXQH-UHFFFAOYSA-N 280.368 0.620 10 10 CCCE C[C@@H](NC(=O)COc1ccc(N)cc1)c1nnn[nH]1 44884645 QKQQFPPETLLJEI-SSDOTTSWSA-N 262.273 0.038 10 10 CCCE CO[C@H]1CN(C)C[C@H]1NCc1cccc(O)c1O 2034335027 MQHVFHLBIGQBGT-PWSUYJOCSA-N 252.314 0.516 10 10 CCCE Nc1ccc(CS(=O)(=O)CC(=O)NC2CC2)cc1 310672884 JWMIEDYGRCNWLQ-UHFFFAOYSA-N 268.338 0.462 10 10 CCCE CNCc1ccc(N2C[C@@H](O)[C@H](CO)C2)c(Cl)c1 316280219 HTRSGUNPAWNXIU-GXFFZTMASA-N 270.760 0.849 10 10 CCCE C[C@@H](O)c1ccc(N2CC(NS(C)(=O)=O)C2)cc1 703003443 ODDCYHILEKBEFJ-SECBINFHSA-N 270.354 0.478 10 10 CCCE CCN1CC[C@@H](NCc2cccc(O)c2O)C1=O 708665430 ZAOVNCAHPAHBJK-SNVBAGLBSA-N 250.298 0.808 10 10 CCCE CN(Cc1cn(C)nn1)C(=O)c1ccc(O)c(O)c1 690280691 IYGQDLRXJNQEDI-UHFFFAOYSA-N 262.269 0.499 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@]1(C)CNCCO1 710756634 ZPRSIPATYDRXQM-AWEZNQCLSA-N 264.325 0.729 10 10 CCCE C[C@]12C[C@@H]1C(=O)N(c1ccc(N)cc1C(=O)O)C2=O 713589255 BIKGPGAAQKHZJX-OQPBUACISA-N 260.249 0.866 10 10 CCCE CS(=O)(=O)C1CC(NC(=O)c2cccc(O)c2O)C1 716078246 POUGVKCNDAWTEA-UHFFFAOYSA-N 285.321 0.403 10 10 CCCE O=C(NCC1OCCCO1)c1ccc(O)c(O)c1 716388150 XFTPURLIJWKXRL-UHFFFAOYSA-N 253.254 0.591 10 10 CCCE NC(=O)CN(Cc1ccc(N)cc1)S(=O)(=O)C1CCC1 717779952 RZDCVULQGITCTM-UHFFFAOYSA-N 297.380 0.438 10 10 CCCE CN(CCOCCO)C(=O)COc1ccc(N)cc1 388625377 JLXDYIHLBBHGQD-UHFFFAOYSA-N 268.313 0.115 10 10 CCCE CON(C)C(=O)CN[C@@H](C)c1ccc(O)cc1O 397550054 UZIDNXZSMJFIGX-QMMMGPOBSA-N 254.286 0.768 10 10 CCCE O=C1C[C@H](CNC(=O)[C@@H]2CNc3ccccc3N2)CN1 398300623 METZWMXNUMVWEA-CABZTGNLSA-N 274.324 0.145 10 10 CCCE NC(=O)[C@@H]1CCC[C@H]1NS(=O)(=O)Cc1ccc(N)cc1 2174103540 MZGCGIRNLDUZKH-VXGBXAGGSA-N 297.380 0.342 10 10 CCCE [N-]=[N+]=NCC1(CNC(=O)[C@H]2CCCN(C(N)=O)C2)CC1 2174351993 PDCQULMVSUAYBB-VIFPVBQESA-N 280.332 0.984 10 10 CCCE CN(C)C[C@@H]1C[C@@H](N)CN1C(=O)c1cccc(O)c1O 2178867119 KSSBKEOFVGKNHS-ZJUUUORDSA-N 279.340 0.201 10 10 CCCE O=C1Nc2cc(N3CC(O)(C(F)(F)F)C3)ccc2[C@@H]1O 2170390568 UUNSGTNPBCJFPQ-VIFPVBQESA-N 288.225 0.786 10 10 CCCE C[C@@]12CC[C@@](C(=O)N3CCNCC3)(C(=O)C1=O)[C@@]2(C)CF 2078852765 DIKKVDZUICHJEY-ILXRZTDVSA-N 296.342 0.332 10 10 CCCE CS(=O)(=O)C[C@H]1C[C@H](NC(=O)c2ccc(O)c(O)c2)C1 2171154548 NIFICGCSXLNTEX-CZMCAQCFSA-N 299.348 0.651 10 10 CCCE CS(=O)(=O)CC1CC(NC(=O)c2ccc(O)c(O)c2)C1 2171153987 NIFICGCSXLNTEX-UHFFFAOYSA-N 299.348 0.651 10 10 CCCE Nc1ccc(OCCC(=O)N2C[C@H](F)[C@@H](CO)C2)cc1 2177142680 FMOCMUOGSCJOKK-MFKMUULPSA-N 282.315 0.827 10 10 CCCE CN(CCO)CCN(C)c1ccc(CO)c([N+](=O)[O-])c1 2188575068 XATWGEMTAJCZMM-UHFFFAOYSA-N 283.328 0.447 10 10 CCCE COc1cc(N2C[C@@H](O)C[C@@H](N)C2)cc(OC)c1OC 2181945433 CYWUCHUASWDBDF-KOLCDFICSA-N 282.340 0.611 10 10 CCCE C[C@@H](N)C[S@](C)(=O)=NC(=O)c1ccc(O)c(O)c1 2042223803 WRPOSQWPCRURSM-MDTSDYNXSA-N 272.326 0.683 10 10 CCCE CN(Cc1ccccc1O)C(=O)[C@H](N)C1COC1 2042972061 JLFKHWPJJFBOCJ-GFCCVEGCSA-N 250.298 0.324 10 10 CCCE CN[C@@H]1CC[C@H]1NC(=O)Cc1ccc(O)c(O)c1 2053076239 AFNZNBJAQOZHTE-NXEZZACHSA-N 250.298 0.507 10 10 CCCE Cc1ccc(O)c(CN[C@@H]2[C@H]3CS(=O)(=O)C[C@H]32)c1 2054277973 LSWMLRLQLFGIKK-PJXYFTJBSA-N 267.350 0.833 10 10 CCCE O=S(=O)(C[C@@H]1CC[C@H]1O)NCc1ccccc1O 2058001479 MEGSOORPTYDEEV-CMPLNLGQSA-N 271.338 0.583 10 10 CCCE Cc1cc(N2CCC[C@H]2[C@H](O)CO)ccc1CN 2059280214 NAIAMMHURXLMTJ-UONOGXRCSA-N 250.342 0.776 10 10 CCCE Nc1ccc(OCCC(=O)N2C[C@H]3CCN[C@H]3C2)cc1 2191896156 VPXKSDPZEXDBRM-RISCZKNCSA-N 275.352 0.858 10 10 CCCE NC[C@@H]1COC[C@H]1Nc1c(N)cccc1C(=O)O 2071688768 PJAPBNMILWDCQG-GMSGAONNSA-N 251.286 0.353 10 10 CCCE NCC(F)(F)CNC(=O)COc1ccc(N)cc1 2071727193 VFCFGZKVDBEPDQ-UHFFFAOYSA-N 259.256 0.358 10 10 CCCE NC[C@@H]1[C@@H]2C[C@H]2CN1c1cc2c(cc1N)OCC(=O)N2 2198969030 HYTKXLYUAQHHQU-JOAULVNJSA-N 274.324 0.383 10 10 CCCE CCC(=O)NCCCNC(=O)c1cccc(O)c1O 2102493671 DVOCROYVWILOQY-UHFFFAOYSA-N 266.297 0.744 10 10 CCCE CN1CCO[C@@H]([C@@H](NN)c2ccc(N(C)C)cc2)C1 2106857186 HXWDNLZDWBROKW-KGLIPLIRSA-N 264.373 0.588 10 10 CCCE C[C@H]1[C@@H](N)CCCN1C(=O)Cc1ccc(O)c(O)c1 2087725461 VJRKQYWRVJADKO-ONGXEEELSA-N 264.325 0.979 10 10 CCCE O=[N+]([O-])c1ccc(N2CC[C@H](O)[C@H](F)C2)cc1CO 2088304567 TTXMZTIVVUAKAL-PWSUYJOCSA-N 270.260 0.996 10 10 CCCE N[C@H]1CN(C(=O)c2ccc(O)c(O)c2)C[C@H]1C1CC1 2090681365 MURDPTUXECLHGD-QWRGUYRKSA-N 262.309 0.907 10 10 CCCE CO[C@H]1COC[C@H]1CNC(=O)c1cccc(O)c1O 2097865149 FAYJJOPWXKNPKQ-KCJUWKMLSA-N 267.281 0.489 10 10 CCCE O=C(c1cccc(O)c1O)N1CC[C@@]2(C[C@@H](O)CO2)C1 2201755775 RLZMTUQJGQLXRK-YMTOWFKASA-N 279.292 0.464 10 10 CCCE C[C@]1(CNS(=O)(=O)Cc2ccc(N)cc2)CCNC1=O 2200822268 RNKXZKREGLXDDH-CYBMUJFWSA-N 297.380 0.214 10 10 CCCE COc1cc(N2CC[C@H]2C(N)=O)ccc1C=CC(=O)O 2204558661 GAIYLBXALFOZRE-NSHDSACASA-N 276.292 0.857 10 10 CCCE CNCc1ccc(N2CCCC2(CO)CO)cc1OC 2204555594 ZHAYIYAAELSBGM-UHFFFAOYSA-N 280.368 0.738 10 10 CCCE COc1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CF)c([N+](=O)[O-])c1 2205617084 WTGBUHLGGCXHMP-SDDRHHMPSA-N 286.259 0.483 10 10 CCCE C[C@H](COc1nnc(=N)[nH]n1)[C@@H](C)NC(=O)OC(C)(C)C 2209555453 DZBJMEQJQFUFEU-HTQZYQBOSA-N 298.347 0.607 10 10 CCCE COc1ccc(N2C[C@@H](CO)[C@@H](O)C2)cc1OC 2219640183 DFDZDHMOUQFSLD-ONGXEEELSA-N 253.298 0.493 10 10 CCCE COC[C@H](O)CN(C)c1ccc(OC)cc1CO 2220430110 QMCLXDIKZOZZAR-LLVKDONJSA-N 255.314 0.631 10 10 CCCE Nc1ccc(OCC(=O)N[C@@H]2CCC[C@@H](O)[C@H]2O)cc1 2232558121 ZHIUVOSRLOLRAX-BZPMIXESSA-N 280.324 0.038 10 10 CCCE CO[C@@H]1CN(c2ccc([C@H](C)N)cc2)[C@@H](CO)[C@H]1OC 2233353942 NNLNFZILBRWRPU-BSLXNSKLSA-N 280.368 0.917 10 10 CCCE O=C(NCC12COCC(C1)C2)c1cc(O)c(O)c(O)c1 2236379752 DDCLSRVNKABXSJ-UHFFFAOYSA-N 279.292 0.960 10 10 CCCE COc1ccc(N(C)Cc2nnn(C)n2)c(CO)c1 2227674453 WGCUBBCDNQQJTG-UHFFFAOYSA-N 263.301 0.347 10 10 CCCE C[C@H](CNC(=O)c1cccc(O)c1O)[C@@]1(O)CCNC1 2238448176 VMIAZSUVDLMSLF-YMTOWFKASA-N 280.324 0.188 10 10 CCCE N[C@@H]1[C@H]2C[C@@H](CN(Cc3ccc(O)cc3O)C2)[C@@H]1CO 2239334702 WCQMNYGDAGUOLS-TZQJONAQSA-N 278.352 0.485 10 10 CCCE COc1ccc(N2C[C@@H](S(N)(=O)=O)CC2(C)C)c(N)c1 2239530413 IPXNRTZXDQPFON-JTQLQIEISA-N 299.396 0.923 10 10 CCCE CSc1ncc(CNC(=O)CNCCN(C)C)s1 2257012931 IKQHULPDRXDNLC-UHFFFAOYSA-N 288.442 0.632 10 10 CCCE Cc1cc(N2CC[C@H]2[C@@H](O)CO)ccc1[C@H](C)O 2258343885 SEALQGJVCWFXNS-BPNCWPANSA-N 251.326 0.980 10 10 CCCE COCCN(C[C@H](C)O)c1ccc2c(c1)NC(=O)[C@H]2O 2287951803 GGRKIMYFBJGZCU-ZANVPECISA-N 280.324 0.506 10 10 CCCE CN1C(=O)C(=Cc2ccccc2O)C(=O)NC1=S 2297555747 KMUJJGGRMAURCW-UHFFFAOYSA-N 262.290 0.649 10 10 CCCE CN(C)CCNC(=O)C=Cc1ccc(O)c(O)c1 2307978868 RLOBOLWAXDMITM-UHFFFAOYSA-N 250.298 0.789 10 10 CCCE Cc1cc(N2C[C@@H](O)[C@@H](O)[C@H]2CF)ccc1CO 2311995928 RBWWZVXNCCUVBB-UPJWGTAASA-N 255.289 0.367 10 10 CCCE CCN(CCN=[N+]=[N-])C(=O)[C@@H]1CCCS(=O)(=O)C1 2315986811 IUFIVWWZZIMORI-SECBINFHSA-N 274.346 0.970 10 10 CCCE CCN(CCN=[N+]=[N-])CC(=O)N1CCO[C@@H](C)C1 2315992385 LGDYRHYAKWHYBV-JTQLQIEISA-N 255.322 0.866 10 10 CCCE