smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(=O)c1ccc(-n2c(C)ccc2-c2ccc(F)cc2)cc1 29393570 HRXOOCUFBOTVCC-UHFFFAOYSA-N 293.341 4.794 10 1 CJCF CN(C)c1ccc(/C=C2\C(Cl)=Cc3ccccc32)cc1 36381214 UYZPJMFZHBATAT-BOPFTXTBSA-N 281.786 4.887 10 1 CJCF Cc1ccc(-n2cc(CN=[N+]=[N-])c(-c3ccccc3)n2)cc1 1857760914 ZXIXSVZVELONFW-UHFFFAOYSA-N 289.342 4.658 10 1 CJCF CN(C)c1ccc(N=Nc2ccc3ncccc3c2)cc1 255962295 AJMNTQQJNZQACD-UHFFFAOYSA-N 276.343 4.716 10 3 CJCF COc1ccc(/N=N/c2[nH]c3ccc(C)cc3c2O)cc1 101553773 VKVDQOAZEBMDRJ-VHEBQXMUSA-N 281.315 4.606 10 1 CJCF CCCCn1c(O)c(N=Nc2ccccn2)c2ccccc21 253978904 XRGFBDPLYOOKHD-UHFFFAOYSA-N 294.358 4.957 10 1 CJCF c1ccc(/N=N/c2nnc(Nc3ccccc3)s2)cc1 101953964 MJIOPLBUOHZKBO-FBMGVBCBSA-N 281.344 4.697 10 1 CJCF Nc1ccc2c(c1)C(=Cc1ccccc1O)c1ccccc1-2 1857546878 RKCGRAFTSWYUIS-UHFFFAOYSA-N 285.346 4.544 10 1 CJCF Clc1ccccc1/N=N/C1=C2CCCCN2CCC1 102115213 CVRXRYIQHFIJTI-ISLYRVAYSA-N 275.783 4.915 10 1 CJCF O=NCc1ccc(-c2ccccc2)c(-c2ccccc2)c1O 169717745 VRVAMMZFTYCHSF-UHFFFAOYSA-N 289.334 4.993 10 1 CJCF Cc1n[nH]c(Nc2ccc(C(F)(F)F)cc2)c1[C@@H](C)N=N 169715660 PMYSAGNGJNBOKX-SSDOTTSWSA-N 297.284 4.572 10 1 CJCF Cc1ccc(-c2[nH]nc(N)c2/N=N\c2ccccc2C)cc1 18068231 VOCKHRGRLWCBLC-VZCXRCSSSA-N 291.358 4.691 10 1 CJCF O=[N+]([O-])c1ccc2c(c1)/C(=C/c1ccc(C=S)cc1)C=C2 36381113 WXDFAWIILUYZOW-OQLLNIDSSA-N 293.347 4.510 10 1 CJCF Fc1ccc(-c2csc(/N=N/Cc3ccncc3)n2)cc1 169728155 GLVMYTKUHHANJN-CZIZESTLSA-N 298.346 4.628 10 1 CJCF Cc1ccc(C/N=N/c2cccc3cccnc23)c(O)c1 169688443 RNTRWCVHGDYLFR-FMQUCBEESA-N 277.327 4.533 10 1 CJCF Nc1ccc(Oc2ccc3nc(C4=CCCC4)[nH]c3c2)cc1 586882696 AAVVKNFSRYOCFI-UHFFFAOYSA-N 291.354 4.505 10 1 CJCF Oc1ccc(/N=N\c2ccc3c(c2)OCO3)c2ccccc12 18046422 LOXCGNHSKAQWAG-HNENSFHCSA-N 292.294 4.690 10 1 CJCF Cc1ccc2[nH]c(O)c(/N=N\c3ccccc3C)c2c1 18069408 DCQPVNDMTWKLMH-HNENSFHCSA-N 265.316 4.906 10 1 CJCF Cc1ccsc1C/N=N/c1nc2ccccc2s1 169688448 HWYBRHKYOVZRQM-JQIJEIRASA-N 273.386 4.950 10 1 CJCF Nc1ccc(Oc2ccc3nc(C=C4CCC4)[nH]c3c2)cc1 587965708 VMGZKBAOYFZUQL-UHFFFAOYSA-N 291.354 4.505 10 1 CJCF Cc1cccc(/N=N\c2c(O)[nH]c3ccc(F)cc23)c1 13520384 ONRBWPMHVAEINQ-HNENSFHCSA-N 269.279 4.736 10 1 CJCF [N-]=[N+]=NCCCCCCc1nc2cccc(Cl)c2[nH]1 587260609 WBFJLNDLFVFDEW-UHFFFAOYSA-N 277.759 4.630 10 1 CJCF Cc1ccc(-c2ccc(NCc3ccccc3O)cc2)cc1 473084558 ROKPZFQOKPVOJG-UHFFFAOYSA-N 289.378 4.980 10 1 CJCF Clc1ccccc1/N=N\C1=C2CCCCN2CCC1 40950703 CVRXRYIQHFIJTI-ZCXUNETKSA-N 275.783 4.915 10 1 CJCF Cc1sc2ncnc(/N=N/[C@H](C)c3ccccn3)c2c1C 169688979 XTNVRVHUQBBAAB-QUSGQHSNSA-N 297.387 4.548 10 1 CJCF Clc1ccc(/N=N/C2=C3CCCN3CCC2)cc1 95540333 IRGOLHKFGJXJDL-WUKNDPDISA-N 261.756 4.525 10 1 CJCF Cc1[nH]c2ccccc2c1C/N=N/c1ccc([N+](=O)[O-])cc1 169688539 VBCGAYFLGNDTPZ-HTXNQAPBSA-N 294.314 4.668 10 1 CJCF Fc1ccc(-c2csc(/N=N/Cc3ccco3)n2)cc1 169728148 DWHYZYKGMIZGRF-FBMGVBCBSA-N 287.319 4.826 10 1 CJCF C=Cc1cccc2c1N(CCCC)Cc1cc(O)c(O)cc1-2 53243821 ZHKJGEDXDQHYEQ-UHFFFAOYSA-N 295.382 4.528 10 1 CJCF [N-]=[N+]=NCCCCCCc1nc2cnc3ccccc3c2[nH]1 587260095 NNLJNBRXOLOTBH-UHFFFAOYSA-N 294.362 4.524 10 1 CJCF Cc1ccc(/N=N\c2[nH]c3ccccc3c2O)cc1 13124243 YTVRQRQLAUYEKJ-ZCXUNETKSA-N 251.289 4.597 10 1 CJCF Clc1ccc(/N=N\C2=C3CCCCN3CCC2)cc1 40423278 IBMQVYYMUOHGBO-ZCXUNETKSA-N 275.783 4.915 10 1 CJCF CC(C)c1cccc(/N=N/c2ccc(C(=O)O)cc2)c1 34110916 QOZOKOOQNSBAAM-ISLYRVAYSA-N 268.316 4.924 10 1 CJCF CN(CCCF)c1ccc(-c2cc3ccccc3n2C)cc1 96908587 PJQNBDMVZSYNBE-UHFFFAOYSA-N 296.389 4.641 10 1 CJCF Fc1ccc(-c2csc(/N=N/Cc3cccnc3)n2)cc1 169728152 OSUIOOYDVLXNNH-CZIZESTLSA-N 298.346 4.628 10 1 CJCF COc1ccc(-c2[nH]ncc2/N=N/c2ccccc2)cc1 101489054 YLDDBXFNJPDEFG-VHEBQXMUSA-N 278.315 4.501 10 1 CJCF c1ccc(-c2csc(/N=N/Cc3ccco3)n2)cc1 169687972 OYNPXIXTIZKUSJ-BMRADRMJSA-N 269.329 4.687 10 1 CJCF Clc1cncc(Cl)c1/N=N/Cc1ccccc1 169690350 XTJRTEOFWFBMTB-WUKNDPDISA-N 266.131 4.672 10 1 CJCF CN(C)c1ccc(N=Nc2cccc3ccoc23)cc1 253993189 LHVRXAUETJRESN-UHFFFAOYSA-N 265.316 4.914 10 3 CJCF Cc1[nH]c2ccccc2c1/N=N\c1cccc(C(=O)O)c1 12377638 JVBIRLVMIFBNBF-HNENSFHCSA-N 279.299 4.590 10 1 CJCF Clc1cccc(/N=N/C2=C3CCCCN3CCC2)c1 102121610 WJYIYPSGIYUINB-ISLYRVAYSA-N 275.783 4.915 10 1 CJCF Cc1ccc(N=Nc2ccc(O)c3ncccc23)cc1 253916627 VZLUNLPYLKJNQR-UHFFFAOYSA-N 263.300 4.664 10 1 CJCF aggregator Cc1ccc(O)c([C@@H]2C[C@@H](c3ccc(Cl)cc3)N=N2)c1 169689581 WSDNXRYAUKSDSK-GJZGRUSLSA-N 286.762 4.992 10 1 CJCF CCOC(=O)c1c(C)[nH]c(/N=N\c2ccc(C)cc2C)c1C 13114073 UHBBQBJNKISGCO-VXPUYCOJSA-N 299.374 4.840 10 1 CJCF C[C@H](/N=N/c1ncc(Cl)cc1Cl)c1ccccn1 169686782 ZWQYXLBRFDHHIP-BZQGDAOHSA-N 281.146 4.628 10 1 CJCF Cc1nc(-c2cc(C)n(-c3ccccc3F)c2C)cs1 21264614 QJZQJKAFWVYUSG-UHFFFAOYSA-N 286.375 4.665 10 1 CJCF [N-]=[N+]=NCCCCCCc1nc2cc(Cl)c(F)cc2[nH]1 587259208 AXJNYAPTCIEMFH-UHFFFAOYSA-N 295.749 4.769 10 1 CJCF CC(C)n1c(O)c(/N=N\c2ccccn2)c2ccccc21 8687963 RRAAUZBOPPHSGC-HNENSFHCSA-N 280.331 4.738 10 1 CJCF Cc1ccc(C)n1-c1ccccc1C1SCCCS1 1650080 XROATGXVKGCWAT-UHFFFAOYSA-N 289.469 4.963 10 1 CJCF Cc1cccc2c1N=C1C(=CN(C)c3ccccc31)S2 38956650 RXHBYTGEAQRRKO-UHFFFAOYSA-N 278.380 4.513 10 1 CJCF COc1ccc(C)cc1/N=N\c1ccc(O)c2ncccc12 13125144 CLRFQYDSYIRYQC-VXPUYCOJSA-N 293.326 4.673 10 1 CJCF COc1cccc(/N=N\c2ccc3ccccc3c2O)c1 4100735 NYYNVKONGLWQQD-HNENSFHCSA-N 278.311 4.969 10 1 CJCF Cc1ccccc1/N=N\c1ccc(O)c2ncccc12 102541455 AWCWBBFCPBMIAW-HNENSFHCSA-N 263.300 4.664 10 1 CJCF [N-]=[N+]=NSCCOc1ccc(Oc2ccccc2)cc1 27314708 KCYWUWLKELTJGT-UHFFFAOYSA-N 287.344 4.816 10 1 CJCF CN(C)c1ccc(/C=C/c2cc3cc(F)ccc3o2)cc1 40950323 VCLLMDCXDPWUSV-WEVVVXLNSA-N 281.330 4.808 10 1 CJCF Cc1ccc(/N=N\c2c(O)[nH]c3ccc(F)cc23)cc1 102572782 VTAZXYWWFZTERK-HNENSFHCSA-N 269.279 4.736 10 1 CJCF CCC(=C(CC)c1ccc(O)c(O)c1)c1ccc(O)cc1 2356475039 MOVGOKPAVPTKIV-UHFFFAOYSA-N 284.355 4.534 10 1 CJCF CCOC(=O)c1c(C)[nH]c(/N=N\c2ccc(C)cc2)c1C 102705762 MBGJCPFICKYQPF-HNENSFHCSA-N 285.347 4.532 10 1 CJCF CC(C)=CCCC1=CC[C@H]2C(=O)c3ccccc3C(=O)[C@@H]2C1 101233928 JMNCKDJXDFRJDK-QZTJIDSGSA-N 294.394 4.765 10 1 CJCF Cc1ccc2cc(/C=C/c3ccc(N(C)C)cc3)oc2c1 45506757 XAVSJRYRIAKURJ-YRNVUSSQSA-N 277.367 4.978 10 1 CJCF Cc1ccc2c(/C=C/c3ccc(N(C)C)cc3)ccnc2c1 13221214 RQLBHPOOEDPCSR-VMPITWQZSA-N 288.394 4.780 10 1 CJCF Cc1cccc(N=Nc2c(O)[nH]c3ccc(F)cc23)c1 253915794 ONRBWPMHVAEINQ-UHFFFAOYSA-N 269.279 4.736 10 1 CJCF CN(C)c1ccc(/C=C2\C=Cc3ccccc32)c(Cl)c1 1570205 ZADTWRBSMBLDEE-SDNWHVSQSA-N 281.786 4.973 10 1 CJCF Cc1cccc(/N=N\c2ccc(O)c3ncccc23)c1 15974056 SNNMVOFTYZSZJF-HNENSFHCSA-N 263.300 4.664 10 1 CJCF COc1ccc(/N=N\c2[nH]c3ccc(C)cc3c2O)cc1 13120112 VKVDQOAZEBMDRJ-HNENSFHCSA-N 281.315 4.606 10 1 CJCF CN1C=C(/N=N/c2ccc(Cl)c(Cl)c2)CCC1 84632219 QSHVNTSIEHTZMQ-FOCLMDBBSA-N 270.163 4.644 10 1 CJCF Nc1cccc(C=C2c3ccccc3CCc3ccccc32)c1 103263162 OASXJJFETRSRIE-UHFFFAOYSA-N 297.401 4.956 10 1 CJCF Cc1ccc2[nH]c(O)c(N=Nc3ccccc3C)c2c1 299812964 DCQPVNDMTWKLMH-UHFFFAOYSA-N 265.316 4.906 10 1 CJCF Oc1ccc(-c2sc(Cl)c(Cl)c2Cl)cc1O 72178018 LZASNRNSTBHXRQ-UHFFFAOYSA-N 295.574 4.787 10 1 CJCF CC(C)=CCCC1=CC[C@@H]2C(=O)c3ccccc3C(=O)[C@H]2C1 101233937 JMNCKDJXDFRJDK-ROUUACIJSA-N 294.394 4.765 10 1 CJCF Cc1cc2cc(O)c(O)cc2c(C)c1-c1ccc(F)cc1 26841125 UHNJKDOIIGPYCC-UHFFFAOYSA-N 282.314 4.674 10 1 CJCF O=C(/N=N/c1ccc(Cl)cc1)Nc1ccccc1 103258998 TVHGOIXBKNQBJL-WUKNDPDISA-N 259.696 4.656 10 1 CJCF Cc1cccc(/N=N/c2c(O)[nH]c3ccc(F)cc23)c1 101680630 ONRBWPMHVAEINQ-VHEBQXMUSA-N 269.279 4.736 10 1 CJCF Cc1ccc2[nH]c(O)c(/N=N/c3ccccc3C)c2c1 101783834 DCQPVNDMTWKLMH-VHEBQXMUSA-N 265.316 4.906 10 1 CJCF CCOC(=O)c1c(C)[nH]c(/N=N\c2cccc(C)c2)c1C 102323988 BJYDIYGSEXMJJV-HNENSFHCSA-N 285.347 4.532 10 1 CJCF Cc1cc2nc(CCCCCCN=[N+]=[N-])[nH]c2cc1C 587259779 ILPIUOPUQSWRTI-UHFFFAOYSA-N 271.368 4.593 10 1 CJCF Cc1ccc(-c2c(C)cc3cc(O)c(O)cc3c2C)cc1 26848098 CPCKFCUIHJALMK-UHFFFAOYSA-N 278.351 4.843 10 1 CJCF Cn1ccc2c(-c3cccnc3)cc3c(c21)[C@H]1CC[C@H]3C1 103112989 GPINYHYPWIQZBX-STQMWFEESA-N 274.367 4.605 10 3 CJCF COc1ccc(-c2[nH]ncc2N=Nc2ccccc2)cc1 253989178 YLDDBXFNJPDEFG-UHFFFAOYSA-N 278.315 4.501 10 1 CJCF Oc1[nH]c2ccccc2c1/N=N\c1cccc(Cl)c1 96901614 LKDWERIBHCUTGQ-ZCXUNETKSA-N 271.707 4.942 10 1 CJCF CC(C)c1ccc(/N=N/c2ccc(C(=O)O)cc2)cc1 34110915 UEOHDDQDXUNQOA-ISLYRVAYSA-N 268.316 4.924 10 1 CJCF CCN(C)c1ccc(/C=C/c2ccnc3ccccc23)cc1 37868656 VGWHTYLEEBUJLL-DHZHZOJOSA-N 288.394 4.861 10 1 CJCF Nc1ccc(Cc2c3ccccc3nc3ccccc23)cc1 169347091 UTELZSRUEKEPPY-UHFFFAOYSA-N 284.362 4.561 10 1 CJCF Cc1[nH]c2ccccc2c1/N=N/c1cccc(C(=O)O)c1 6417874 JVBIRLVMIFBNBF-VHEBQXMUSA-N 279.299 4.590 10 1 CJCF Cc1[nH]c2ccccc2c1N=Nc1cccc(C(=O)O)c1 261122844 JVBIRLVMIFBNBF-UHFFFAOYSA-N 279.299 4.590 10 1 CJCF S=Cc1ccc(/C=C/c2ccnc3ccccc23)cc1 36381180 ONOYBWOSGICHJR-MDZDMXLPSA-N 275.376 4.753 10 1 CJCF Cc1cccc2c(/N=N\c3ccccc3)c(O)[nH]c12 102271177 CSEWMIWLVVWSJN-ZCXUNETKSA-N 251.289 4.597 10 1 CJCF CCOC(=O)c1c(C)[nH]c(/N=N/c2ccccc2C)c1C 12625491 PXUQZPRBLNBYBX-VHEBQXMUSA-N 285.347 4.532 10 1 CJCF CC(C)c1ccc(C/N=N/c2ccc(C(=O)O)cc2)cc1 169689997 ADOCOKTZKPVEJV-VHEBQXMUSA-N 282.343 4.792 10 1 CJCF Nc1ccc2c(Nc3ccccc3)c3ccccc3nc2c1 5162468 XMXGTVGMHSFSBO-UHFFFAOYSA-N 285.350 4.714 10 1 CJCF Clc1cccc(/N=N\C2=C3CCCCN3CCC2)c1 40834756 WJYIYPSGIYUINB-ZCXUNETKSA-N 275.783 4.915 10 1 CJCF Cc1ccc(/N=N\c2ccc(O)cc2)c(Br)c1 13130130 YIDMWLUFNVJJHD-NXVVXOECSA-N 291.148 4.879 10 1 CJCF CN(C)c1ccc(/C=C2\C=Cc3ccccc32)cc1Cl 1708899 LSEOTUULEJMDMD-RVDMUPIBSA-N 281.786 4.973 10 1 CJCF C[C@@H](/N=N/c1nc2c(s1)CCCC2)c1ccccc1 169700605 CSHIGVQPPMCKRO-IEBXDZTQSA-N 271.389 4.867 10 1 CJCF Oc1[nH]c2ccccc2c1N=Nc1ccccc1Cl 254042227 DCKVLFOMXZJZNU-UHFFFAOYSA-N 271.707 4.942 10 1 CJCF Cc1c(Cl)ccc2c(N=Nc3ccccn3)c(O)[nH]c12 617980972 IOZIDSNREKAJJQ-UHFFFAOYSA-N 286.722 4.646 10 1 CJCF CC(C)NCCC=C1c2ccccc2CCc2ccccc21 169338844 CXDQMFWBDPZYKJ-UHFFFAOYSA-N 291.438 4.605 10 1 CJCF Cc1ccc(C/N=N/c2nnc(Cl)c3ccccc23)cc1 169688426 UXXUARUEKHWPFH-CZIZESTLSA-N 296.761 4.876 10 1 CJCF Cc1ccccc1/N=N\c1c(O)n(C)c2ccccc12 102695170 KQHFINYEYNQTSL-ZCXUNETKSA-N 265.316 4.608 10 1 CJCF c1csc(C/N=N/c2nc3ccccc3s2)c1 169688435 MJEQKJODPGHXBV-FYWRMAATSA-N 259.359 4.642 10 1 CJCF CCOC(=O)c1c(C)[nH]c(N=Nc2cccc(C)c2)c1C 253915813 BJYDIYGSEXMJJV-UHFFFAOYSA-N 285.347 4.532 10 1 CJCF Oc1ccc2c(/N=N/c3ccccc3)c(O)ccc2c1 6095688 JVWRDWIVNBPMRR-ISLYRVAYSA-N 264.284 4.666 10 1 CJCF in-vitro Cc1ccccc1N=Nc1c(O)n(C)c2ccccc12 299813219 KQHFINYEYNQTSL-UHFFFAOYSA-N 265.316 4.608 10 1 CJCF Cc1n[nH]c(C)c1/N=N\c1cc(Cl)ccc1Cl 6279816 MFTCDLHOSXUWJT-MSUUIHNZSA-N 269.135 4.749 10 1 CJCF Cc1[nH]c2ccccc2c1/N=N\c1ccccc1C(=O)O 102693381 ZZASMDVXOHOVCI-HNENSFHCSA-N 279.299 4.590 10 1 CJCF Cn1ccc2c(-c3ccc(F)nc3)cc3c(c21)[C@H]1CC[C@H]3C1 100586720 BJOVXTDNNPXWEA-RYUDHWBXSA-N 292.357 4.744 10 3 CJCF Cc1c2ccccc2cc2ccc3c(O)c(O)ccc3c12 29335762 ODNUUIMTIOUAQJ-UHFFFAOYSA-N 274.319 4.866 10 1 CJCF Oc1ccccc1CNc1ccc(-c2ccccc2)c(F)c1 473082455 HTBJSSDOZNXGJV-UHFFFAOYSA-N 293.341 4.810 10 1 CJCF CC(C)C[C@@H](C)N(c1ccccc1)c1ccc(N)cc1 5138271 KZTCAXCBXSIQSS-OAHLLOKOSA-N 268.404 4.842 10 1 CJCF CC(C)(C)c1ccc(C/N=N/c2ccc(C(=O)O)cc2)cc1 169689747 XIJJAAQAWDIKOT-FMQUCBEESA-N 296.370 4.966 10 1 CJCF Cc1c2ccccc2cc2c1ccc1c(O)c(O)ccc12 29344542 SMKVSBWONHPEGN-UHFFFAOYSA-N 274.319 4.866 10 1 CJCF CSc1ccc2nc(CCCCCCN=[N+]=[N-])[nH]c2c1 587260284 PYYPXHFPNPOHHY-UHFFFAOYSA-N 289.408 4.698 10 1 CJCF CC(C)(C)c1cc(/N=N/c2ccccc2C(=O)O)ccc1O 38187964 RLAQYNIYEMUFPA-VHEBQXMUSA-N 298.342 4.803 10 1 CJCF in-vivo Oc1ccccc1CNc1ccc(-c2ccccc2)cc1F 473082994 LZSIBVBFPZDFKS-UHFFFAOYSA-N 293.341 4.810 10 1 CJCF Cc1cc2nc(CCCCCCN=[N+]=[N-])[nH]c2cc1Cl 587259962 KNXGHLFNTINFPG-UHFFFAOYSA-N 291.786 4.938 10 1 CJCF CCOC(=O)c1c(C)[nH]c(N=Nc2ccc(C)cc2)c1C 299813226 MBGJCPFICKYQPF-UHFFFAOYSA-N 285.347 4.532 10 1 CJCF COc1ccc(-c2[nH]ncc2/N=N\c2ccccc2)cc1 102769104 YLDDBXFNJPDEFG-HNENSFHCSA-N 278.315 4.501 10 1 CJCF CN1CCC/C1=C\N=N\c1ccc(Cl)c(Cl)c1 40834366 RCYMIXOMBAYXRX-ZNNSQMGQSA-N 270.163 4.644 10 1 CJCF Oc1[nH]c2ccccc2c1/N=N/c1cccc(Cl)c1 96901615 LKDWERIBHCUTGQ-ISLYRVAYSA-N 271.707 4.942 10 1 CJCF Oc1ccc(/N=N\c2ccc(Br)cc2)cc1 101481777 YEBZABRSUREBDG-PFONDFGASA-N 277.121 4.570 10 1 CJCF Cc1ccc(C)c(/N=N\c2nc3ccccc3n2C)c1 13155046 PNCNXYYPUMUHLM-HNENSFHCSA-N 264.332 4.606 10 1 CJCF CCOc1ccc(N=Nc2ccc(O)c3ncccc23)cc1 299813231 NHNCFENOUYGUML-UHFFFAOYSA-N 293.326 4.755 10 1 CJCF Oc1[nH]c2ccccc2c1N=Nc1cccc(Cl)c1 253981674 LKDWERIBHCUTGQ-UHFFFAOYSA-N 271.707 4.942 10 1 CJCF CCc1ccc(CC)n1-c1ccc(O)c(-c2ccccc2)c1 587924907 BTDIOTVRSCNPNH-UHFFFAOYSA-N 291.394 4.975 10 1 CJCF C[C@H](/N=N/c1cccc2cccnc12)c1ccccc1O 169688501 XPNYSLWURLUYQK-IVGVGDLQSA-N 277.327 4.785 10 1 CJCF CC(C)n1c(O)c(N=Nc2ccccn2)c2ccccc21 254025647 RRAAUZBOPPHSGC-UHFFFAOYSA-N 280.331 4.738 10 1 CJCF Cc1cccc2c(/N=N/c3ccccc3)c(O)[nH]c12 101845963 CSEWMIWLVVWSJN-ISLYRVAYSA-N 251.289 4.597 10 1 CJCF NCc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 26845041 LAFDYMZVMIHLQL-UHFFFAOYSA-N 299.377 4.590 10 1 CJCF Cc1cccc2c(N=Nc3ccccc3)c(O)[nH]c12 253917053 CSEWMIWLVVWSJN-UHFFFAOYSA-N 251.289 4.597 10 1 CJCF Cc1c(Cl)ccc2nc(CCCCCCN=[N+]=[N-])[nH]c12 587260557 ULXSZJOTVKXKKO-UHFFFAOYSA-N 291.786 4.938 10 1 CJCF C[C@@H](/N=N/c1cccc2cccnc12)c1ccccc1O 169688500 XPNYSLWURLUYQK-WMSNYHIESA-N 277.327 4.785 10 1 CJCF Fc1ccc(/N=N/C=C/Cc2ccccc2)c(F)c1 169691546 SFPZUQPGUIKDIV-YFXQHFLOSA-N 258.271 4.805 10 1 CJCF Cc1ccc(O)c([C@H]2C[C@@H](c3ccc(Cl)cc3)N=N2)c1 169689582 WSDNXRYAUKSDSK-LSDHHAIUSA-N 286.762 4.992 10 1 CJCF Cc1cc(C)nc(/N=N/Cc2cccc3ccccc23)n1 169688064 XHKMFMPTVSNGRM-DYTRJAOYSA-N 276.343 4.531 10 1 CJCF CNc1ccc(N=Nc2cccc3ncccc23)cc1 254016545 LJGFJKWOMPUOBR-UHFFFAOYSA-N 262.316 4.692 10 3 CJCF COc1ccc2[nH]c(/N=N/c3ccccc3C)c(O)c2c1 13120077 NRQQYJDYYHHRIM-VHEBQXMUSA-N 281.315 4.606 10 1 CJCF Oc1ccccc1CNc1ccc(-c2cccc(F)c2)cc1 473081768 DCXHIFAYABGODO-UHFFFAOYSA-N 293.341 4.810 10 1 CJCF CN(C)c1ccc(/C=C/c2cc3ccc(F)cc3o2)cc1 45506760 HVLZXYBYAAAXJY-BJMVGYQFSA-N 281.330 4.808 10 1 CJCF CCCC1=CC(=Cc2ccc(-c3ccccc3)o2)C(=O)O1 2356314189 QGIZPIHHESTBOG-UHFFFAOYSA-N 280.323 4.571 10 1 CJCF CCN(CC)CCCN1c2ccccc2Oc2ccccc21 8403 DIAIRQDHOVNBOG-UHFFFAOYSA-N 296.414 4.662 10 1 CJCF Clc1nnc(/N=N/Cc2ccccc2)c2ccccc12 169691644 MRMLNKFTCFWFPI-HTXNQAPBSA-N 282.734 4.567 10 1 CJCF Oc1[nH]c2ccccc2c1N=Nc1nc2ccccc2s1 253979334 MNUVEXBEAVKSDR-UHFFFAOYSA-N 294.339 4.899 10 1 CJCF Nc1c2ccccc2nc2ccc(-c3ccccc3)cc12 5934588 YHGAGMNSWODGFY-UHFFFAOYSA-N 270.335 4.637 10 1 CJCF Cc1cc(C)c2[nH]c(CCCCCCN=[N+]=[N-])nc2c1 587260310 QWPVCGDJPIWOJW-UHFFFAOYSA-N 271.368 4.593 10 1 CJCF Oc1c(CNC2CCCCC2)cc(Cl)c2ccccc12 45209677 YHGRPWKZIHIYEA-UHFFFAOYSA-N 289.806 4.621 10 1 CJCF [N-]=[N+]=NCCCCCCc1nc2ccc3ncccc3c2[nH]1 587260100 NNYISKGMXQIALB-UHFFFAOYSA-N 294.362 4.524 10 1 CJCF C[N+](C)(C)c1ccc(/C=C/c2ccnc3ccccc23)cc1 36382715 IHWKHRJJKZZWOZ-DHZHZOJOSA-N 289.402 4.602 10 1 CJCF Cc1ccccc1/N=N\c1c(O)[nH]c2ccccc12 13130033 UBUKNDAQRIEDKX-ZCXUNETKSA-N 251.289 4.597 10 1 CJCF COc1ccccc1/N=N/c1[nH]c2ccc(C)cc2c1O 101553277 XDZHIOYGCSYDBH-VHEBQXMUSA-N 281.315 4.606 10 1 CJCF Cc1ccc([C-](C)/N=N/c2ccc([N+](=O)[O-])cc2)c(C)c1 169700573 UDVWYDGJTHPKNH-ISLYRVAYSA-N 282.323 4.896 10 1 CJCF Cc1ccc(C)c2[nH]c(CCCCCCN=[N+]=[N-])nc12 587260637 XANZOQPTUVDHHJ-UHFFFAOYSA-N 271.368 4.593 10 1 CJCF CCN(CC)c1ccc(/C=C/c2c(F)cccc2F)cc1 95572414 MTNODBUKEALMQR-JLHYYAGUSA-N 287.353 4.981 10 1 CJCF Cc1sc2ncnc(/N=N/[C@@H](C)c3ccccn3)c2c1C 169688978 XTNVRVHUQBBAAB-MEFNJXNFSA-N 297.387 4.548 10 1 CJCF Oc1[nH]c2ccccc2c1/N=N\c1nc2ccccc2s1 96901524 MNUVEXBEAVKSDR-HNENSFHCSA-N 294.339 4.899 10 1 CJCF Cc1n[nH]c(C)c1/N=N/c1cc(Cl)ccc1Cl 101907949 MFTCDLHOSXUWJT-WUKNDPDISA-N 269.135 4.749 10 1 CJCF CCCCN(CCCC)Cc1cc2ccccc2cc1O 45186868 UYUUMUMYNPCYTH-UHFFFAOYSA-N 285.431 4.948 10 1 CJCF CC(C)(C)Nc1c2ccccc2nc2ccccc12 4181210 MOEYWFRIMIXCTO-UHFFFAOYSA-N 250.345 4.598 10 3 CJCF Clc1cccc(C/N=N/c2ncnc3ccccc23)c1 169687792 HJXZYYOAQTZRRG-FMQUCBEESA-N 282.734 4.567 10 1 CJCF COc1ccc2[nH]c(N=Nc3ccccc3C)c(O)c2c1 253989074 NRQQYJDYYHHRIM-UHFFFAOYSA-N 281.315 4.606 10 1 CJCF Brc1ccccc1N=Nc1ccccc1 2356840778 MULAQBQFTFXRFO-UHFFFAOYSA-N 261.122 4.865 10 1 CJCF Oc1ccc(C/N=N/c2ccc3ccccc3c2)c(O)c1 169689570 JVZCEAURAMMRPW-VHEBQXMUSA-N 278.311 4.535 10 1 CJCF Cc1ccc2[nH]c(O)c(/N=N\c3ccccc3[N+](=O)[O-])c2c1 102868076 BMIMIWYZSBQQJU-ZCXUNETKSA-N 296.286 4.506 10 1 CJCF Fc1ccc2c(c1)N[C@H](c1ccccc1)[C@@H]1CC=C[C@H]21 1857760695 MDXCDHXOFINWEJ-QGPMSJSTSA-N 265.331 4.652 10 1 CJCF Cn1ccc2c(-c3ccc(F)nc3)cc3c(c21)[C@@H]1CC[C@H]3C1 73242800 BJOVXTDNNPXWEA-NWDGAFQWSA-N 292.357 4.744 10 1 CJCF C/C(=C\c1ccc(C(F)(F)F)cc1)c1ccc(O)c(O)c1 40919286 CDTWKWWISKGXNM-CSKARUKUSA-N 294.272 4.677 10 1 CJCF Oc1c([C@H]2C=CCCC2)ccc([C@H]2C=CCCC2)c1O 49807844 KBEWPCNIBSYFMH-KBPBESRZSA-N 270.372 4.745 10 1 CJCF CCN(CC)c1ccc(C/N=N/c2ccccc2)c(O)c1 169687832 VTQVSKLUXRCBNX-VHEBQXMUSA-N 283.375 4.522 10 1 CJCF C=C/[N+]([O-])=N/CCCCCCCC(=O)CCCCCC 1857577784 CVLOZZKHTJCNDE-ZCXUNETKSA-N 282.428 4.973 10 1 CJCF C[C@@H](/N=N/c1ncc(Cl)cc1Cl)c1ccccn1 169686781 ZWQYXLBRFDHHIP-MJABNSBKSA-N 281.146 4.628 10 1 CJCF Cc1cccc(C)c1Nc1nc(-c2ccncc2)cs1 45301705 DYLSCUIODIEESB-UHFFFAOYSA-N 281.384 4.566 10 1 CJCF O=C(O)CCCCOc1ccc(/N=N/c2ccccc2)cc1 72116546 FTWMBTQFTNWFEU-VHEBQXMUSA-N 298.342 4.736 10 1 CJCF [N-]=[N+]=NCCCCCCc1nc2ccc(Cl)cc2[nH]1 587260657 YDPVUHRXXZKRHV-UHFFFAOYSA-N 277.759 4.630 10 1 CJCF COc1ccc2cc(/C=C/c3ccc(N(C)C)cc3)oc2c1 40424095 GAAPZOXKUKNOPB-UXBLZVDNSA-N 293.366 4.678 10 1 CJCF in-vivo CC(C)=CCCC1=CC[C@@H]2C(=O)c3ccccc3C(=O)[C@@H]2C1 101233932 JMNCKDJXDFRJDK-ZWKOTPCHSA-N 294.394 4.765 10 1 CJCF Cc1ccc(C)c(/N=N\c2ccc(O)c3ncccc23)c1 102318044 PYMYOBKUNQPXCW-VXPUYCOJSA-N 277.327 4.973 10 1 CJCF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=S 29399329 MMNIGTQWVUZZOI-CBZIJGRNSA-N 286.440 4.618 10 1 CJCF CCN(CC)c1ccc(C/N=N/c2cccc(C)c2)c(O)c1 169687836 VWSWHANEOSJPDI-FMQUCBEESA-N 297.402 4.831 10 1 CJCF Oc1ccc2c(ccc3cc4ccccc4cc32)c1O 29329351 FQFJDJSLMMAVPV-UHFFFAOYSA-N 260.292 4.557 10 1 CJCF Oc1ccc(/N=N/c2ccc3c(c2)OCO3)c2ccccc12 101738907 LOXCGNHSKAQWAG-VHEBQXMUSA-N 292.294 4.690 10 1 CJCF COc1ccccc1N=Nc1[nH]c2ccc(C)cc2c1O 253983066 XDZHIOYGCSYDBH-UHFFFAOYSA-N 281.315 4.606 10 1 CJCF C[C@H](/N=N/c1nc2c(s1)CCCC2)c1ccccc1 169700606 CSHIGVQPPMCKRO-SHYALIGYSA-N 271.389 4.867 10 1 CJCF [N-]=[N+]=NCCCCCCc1nc2cc(Cl)cc(F)c2[nH]1 587260236 OBPPEUBQJYCZET-UHFFFAOYSA-N 295.749 4.769 10 1 CJCF Cc1cc(O)c(C(C)C)cc1/N=N\c1ccccc1C(=O)O 13123286 QLPGFQXQBRVVFO-HNENSFHCSA-N 298.342 4.938 10 1 CJCF COc1ccc(N=Nc2[nH]c3ccc(C)cc3c2O)cc1 253979518 VKVDQOAZEBMDRJ-UHFFFAOYSA-N 281.315 4.606 10 1 CJCF Cc1ccc(N=Nc2[nH]c3ccccc3c2O)cc1 254036104 YTVRQRQLAUYEKJ-UHFFFAOYSA-N 251.289 4.597 10 1 CJCF COc1ccc(/N=N\c2c(C)[nH]c3ccccc23)cc1 102872554 GHCRKBVYLCRUMW-HNENSFHCSA-N 265.316 4.900 10 1 CJCF COc1cc(/N=N\c2ccc3ccccc3c2)ccc1O 102757575 GROKUDWFNHFFSO-HNENSFHCSA-N 278.311 4.969 10 1 CJCF Cc1ccc(/N=N/c2ccc(NCCCN(C)C)cc2)cc1 45320898 NFDFFDOHXUMIIW-QZQOTICOSA-N 296.418 4.774 10 1 CJCF C[C-](/N=N/c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 169693873 FYAHYJPPZGDMHI-WUKNDPDISA-N 286.233 4.659 10 1 CJCF CCc1ccc([C@H](C)/N=N/c2cc(Cl)nc(C)n2)cc1 169688048 CLJNXTIRRATGEY-MEFNJXNFSA-N 288.782 4.846 10 1 CJCF Cc1cc2ccccc2c(C)c1-c1ccc(O)c(O)c1 26847618 XFFXKWQGQJLZIW-UHFFFAOYSA-N 264.324 4.535 10 1 CJCF Cc1ccc2nc(CCCCCCN=[N+]=[N-])[nH]c2c1C 587259314 CMIOMWKAANEVHY-UHFFFAOYSA-N 271.368 4.593 10 1 CJCF Cc1ccccc1/N=N/c1c(O)n(C)c2ccccc12 4611079 KQHFINYEYNQTSL-ISLYRVAYSA-N 265.316 4.608 10 1 CJCF CCOC(=O)c1c(C)[nH]c(/N=N/c2ccc(C)cc2)c1C 12625257 MBGJCPFICKYQPF-VHEBQXMUSA-N 285.347 4.532 10 1 CJCF Cc1ccc(O)c([C@@H]2C[C@H](c3ccc(Cl)cc3)N=N2)c1 169689583 WSDNXRYAUKSDSK-CABCVRRESA-N 286.762 4.992 10 1 CJCF Oc1ccccc1CNc1ccc(-c2ccccc2F)cc1 473084256 RETKVMNTCYYNEV-UHFFFAOYSA-N 293.341 4.810 10 1 CJCF COc1ccc2[nH]c(/N=N\c3ccccc3C)c(O)c2c1 96901864 NRQQYJDYYHHRIM-HNENSFHCSA-N 281.315 4.606 10 1 CJCF Cc1ccc(/N=N/c2ccc(O)c3ncccc23)cc1 100138639 VZLUNLPYLKJNQR-VHEBQXMUSA-N 263.300 4.664 10 1 CJCF Cc1ccc2[nH]c(O)c(/N=N/c3ccccc3[N+](=O)[O-])c2c1 17282346 BMIMIWYZSBQQJU-ISLYRVAYSA-N 296.286 4.506 10 1 CJCF Cc1cc(-c2ccccc2)ccc1NCc1ccccc1O 473083196 NDRWOTBGZUGYNS-UHFFFAOYSA-N 289.378 4.980 10 1 CJCF C(/N=N/c1ccccc1)=C1/CCCN1Cc1ccccc1 40917462 RQOKBPJLWISMME-XNQDBEFJSA-N 277.371 4.908 10 1 CJCF Cc1ccc2[nH]c(O)c(N=Nc3ccccc3[N+](=O)[O-])c2c1 254044991 BMIMIWYZSBQQJU-UHFFFAOYSA-N 296.286 4.506 10 1 CJCF CN1C=C2Sc3cc(Cl)ccc3N=C2c2ccccc21 34401475 UMSXHTRJZROGKP-UHFFFAOYSA-N 298.798 4.858 10 1 CJCF CN(C)c1ccc(-c2nc(-c3ccc(F)cc3)cs2)cc1 587923111 PCOYNECTHDTBKY-UHFFFAOYSA-N 298.386 4.682 10 1 CJCF CC1=CC(C)(C)n2c(O)c(N=N)c3c(C)c(C)cc1c32 101865406 ZWLRPZFBIJHXDK-UHFFFAOYSA-N 269.348 4.778 10 1 CJCF Cc1cc2cc(O)c(O)cc2c(C)c1-c1ccccc1F 26849309 GZRHKBAHUDHODO-UHFFFAOYSA-N 282.314 4.674 10 1 CJCF Cc1ccc(O)c([C@H]2C[C@H](c3ccc(Cl)cc3)N=N2)c1 169689584 WSDNXRYAUKSDSK-HUUCEWRRSA-N 286.762 4.992 10 1 CJCF Cc1n[nH]c(Nc2ccc(C(F)(F)F)cc2)c1[C@H](C)N=N 169715661 PMYSAGNGJNBOKX-ZETCQYMHSA-N 297.284 4.572 10 1 CJCF Cc1cc(Cl)cc2nc(CCCCCCN=[N+]=[N-])[nH]c12 587259591 FODRYNDRXAALQK-UHFFFAOYSA-N 291.786 4.938 10 1 CJCF COc1ccc(C/N=N/c2cc(C)nc3ccccc23)cc1 169691602 BBKFOHVZXRMFKQ-XUTLUUPISA-N 291.354 4.836 10 1 CJCF CN(C)c1ccc(/C=C/c2ccnc3ccc(F)cc23)cc1 6375051 MAGHSEQIBQZAPJ-ZZXKWVIFSA-N 292.357 4.610 10 1 CJCF Oc1c([C@@H]2C=CCCC2)ccc([C@H]2C=CCCC2)c1O 49807845 KBEWPCNIBSYFMH-OKILXGFUSA-N 270.372 4.745 10 1 CJCF Oc1c([C@@H]2C=CCCC2)ccc([C@@H]2C=CCCC2)c1O 49807846 KBEWPCNIBSYFMH-ZIAGYGMSSA-N 270.372 4.745 10 1 CJCF Nc1c(Cl)cc(N=Nc2ccccc2)cc1Cl 263591118 CGFOMWCQKNHSOI-UHFFFAOYSA-N 266.131 4.991 10 3 CJCF CC(C)c1ccccc1/N=N/c1ccc(C(=O)O)cc1 34119220 LOGAGHIMFFKLGY-ISLYRVAYSA-N 268.316 4.924 10 1 CJCF Cc1cc(-c2ccccc2)nc(/N=N/Cc2ccccc2)n1 169693925 DLNQFXBARVNUAV-ZBJSNUHESA-N 288.354 4.736 10 1 CJCF CCOC(=O)c1c(C)[nH]c(/N=N/c2cccc(C)c2)c1C 101710209 BJYDIYGSEXMJJV-VHEBQXMUSA-N 285.347 4.532 10 1 CJCF Cc1ccc(C/N=N/c2ccc(Cl)c(C(=O)O)c2)s1 169688460 JYKSMVJKAVBAGF-FOCLMDBBSA-N 294.763 4.692 10 1 CJCF Cc1cc2ccc(F)cc2c(C)c1-c1ccc(O)c(O)c1 26843829 FZGTVXDBYSOKFJ-UHFFFAOYSA-N 282.314 4.674 10 1 CJCF c1ccc(/N=N/Cc2nc3ccccc3s2)cc1 169691666 KLHDBNWZDLVHLJ-BMRADRMJSA-N 253.330 4.580 10 1 CJCF CCN(CC)c1ccc(/C=C/c2ccccc2)cc1 3600985 FBZZYZMCLSMELP-ZHACJKMWSA-N 251.373 4.703 10 1 CJCF Cc1cc(/C=C/c2nc3ccccc3s2)ccc1N(C)C 36381188 CSZQJCVSHSHBRV-PKNBQFBNSA-N 294.423 4.841 10 1 CJCF CC1=C/C(=C\c2ccc(N(C)C)cc2)c2ccccc21 36381215 RFFDBYKVWMDECP-DTQAZKPQSA-N 261.368 4.710 10 1 CJCF Oc1[nH]c2ccccc2c1/N=N\c1ccccc1Cl 17429752 DCKVLFOMXZJZNU-ZCXUNETKSA-N 271.707 4.942 10 1 CJCF Oc1[nH]c2ccccc2c1/N=N/c1nc2ccccc2s1 96901525 MNUVEXBEAVKSDR-VHEBQXMUSA-N 294.339 4.899 10 1 CJCF Cc1ccccc1-c1ccc(NCc2ccccc2O)cc1 473082434 HOZYMUZZSGYNLP-UHFFFAOYSA-N 289.378 4.980 10 1 CJCF O=[N+]([O-])c1ccc2c(c1)C=C/C2=C\c1ccc(C=S)cc1 36381114 YRLHPCMPCYIQBP-NTEUORMPSA-N 293.347 4.510 10 1 CJCF COc1ccc2oc(/C=C/c3ccc(N(C)C)cc3)cc2c1 45506713 XGPSYXJUIDXLGU-RMKNXTFCSA-N 293.366 4.678 10 1 CJCF Cc1cc2cc(O)c(O)cc2c(C)c1-c1ccccc1 26936871 YIRGLZIZVMMQEQ-UHFFFAOYSA-N 264.324 4.535 10 1 CJCF CN(CCCF)c1ccc(-c2cc3ccccc3[nH]2)cc1 96908585 IJJGVWXPSZVOIN-UHFFFAOYSA-N 282.362 4.631 10 1 CJCF COc1ccc2nc(C)cc(/N=N/Cc3ccccc3)c2c1 169691837 VCGZQSLZDSHLDY-XUTLUUPISA-N 291.354 4.836 10 1 CJCF Oc1ccc2c(ccc3c4ccccc4ccc23)c1O 25977610 AQHBHRWGGYLFLS-UHFFFAOYSA-N 260.292 4.557 10 1 CJCF Oc1ccc(N=Nc2ccc3c(c2)OCO3)c2ccccc12 253977481 LOXCGNHSKAQWAG-UHFFFAOYSA-N 292.294 4.690 10 1 CJCF CCOC(=O)c1c(C)[nH]c(N=Nc2ccccc2C)c1C 253915797 PXUQZPRBLNBYBX-UHFFFAOYSA-N 285.347 4.532 10 1 CJCF Cc1ccc(/N=N\c2nc3ccccc3n2C)c(C)c1 3876507 DGMRDEVTXYFDBN-HNENSFHCSA-N 264.332 4.606 10 1 CJCF Clc1ccc(/N=N\C2=C3CCCN3CCC2)cc1 45495625 IRGOLHKFGJXJDL-MSUUIHNZSA-N 261.756 4.525 10 1 CJCF CC(C)n1c(O)c(/N=N/c2ccccn2)c2ccccc21 101758803 RRAAUZBOPPHSGC-VHEBQXMUSA-N 280.331 4.738 10 1 CJCF C[n+]1c2ccccc2c(Nc2ccccc2)c2ccccc21 55878657 QHOFMRHCWSWZSG-UHFFFAOYSA-O 285.370 4.561 10 1 CJCF Cc1cccc(-c2ccc(NCc3ccccc3O)cc2)c1 473084654 TUXLCDICYNHEJX-UHFFFAOYSA-N 289.378 4.980 10 1 CJCF COc1cccc(-c2csc(/N=N/Cc3ccco3)n2)c1 169723886 OEGOJKDFJSCCRB-FBMGVBCBSA-N 299.355 4.696 10 1 CJCF O=[N+]([O-])c1ccccc1/N=N/Cc1ccccc1Cl 169687527 FGYZVOTUERLKTH-FOCLMDBBSA-N 275.695 4.532 10 1 CJCF Oc1[nH]c2ccccc2c1/N=N/c1ccccc1Cl 102849068 DCKVLFOMXZJZNU-ISLYRVAYSA-N 271.707 4.942 10 1 CJCF CCCN(CCC)[C@H]1CCn2c(ccc2-c2ccccc2)C1 13642178 QNMSZPXZAGXMKV-SFHVURJKSA-N 296.458 4.592 10 1 CJCF O=[N+]([O-])c1cccc(/N=N/c2c(O)ccc3ccccc23)c1 17720138 IKTQBBCZGHFCLF-ISLYRVAYSA-N 293.282 4.869 10 1 CJCF c1ccc(/N=N\c2nnc(Nc3ccccc3)s2)cc1 5279431 MJIOPLBUOHZKBO-VLGSPTGOSA-N 281.344 4.697 10 1 CJCF Cc1ccc(/N=N\c2ccc(O)c3ncccc23)cc1C 102426639 UYDFJWPIIYVVAF-VXPUYCOJSA-N 277.327 4.973 10 1 CJCF Cc1ccc(N=Nc2c(O)[nH]c3ccc(F)cc23)cc1 253977915 VTAZXYWWFZTERK-UHFFFAOYSA-N 269.279 4.736 10 1 CJCF Cc1cccc(C/N=N/c2ccc3ccccc3n2)c1 169690468 LPXUIKDMXYXTPN-CZIZESTLSA-N 261.328 4.827 10 1 CJCF Cc1ccc(/N=N\c2ccc(O)c3ncccc23)cc1 13110645 VZLUNLPYLKJNQR-HNENSFHCSA-N 263.300 4.664 10 1 CJCF Cc1cc2c(F)cccc2c(C)c1-c1ccc(O)c(O)c1 26849280 FIOXXHIJCVTXJP-UHFFFAOYSA-N 282.314 4.674 10 1 CJCF Cc1ccc2c(c1)SC1=CN(C)c3ccccc3C1=N2 39128059 PZUCSQXDOKVERU-UHFFFAOYSA-N 278.380 4.513 10 1 CJCF Cc1ccc2oc(/C=C/c3ccc(N(C)C)cc3)cc2c1 40846088 JAVGSSSWPMQNPF-JXMROGBWSA-N 277.367 4.978 10 1 CJCF CCCCCCc1ccc(Oc2ccc(N)cc2)c(O)c1 29049910 ZURCHSRLJXKILX-UHFFFAOYSA-N 285.387 4.890 10 1 CJCF in-vivo Clc1ccc(/N=N/C2=C3CCCCN3CCC2)cc1 102072516 IBMQVYYMUOHGBO-ISLYRVAYSA-N 275.783 4.915 10 1 CJCF CCc1ccc(/N=N/c2ccc(C(=O)O)cc2)cc1CC 34119223 NXLCDQOEFQQZRC-VHEBQXMUSA-N 282.343 4.925 10 1 CJCF O=[N+]([O-])c1cc(/N=N\c2ccc3ccccc3c2)ccc1O 102645363 ZDSQRPKIPXBMII-ZCXUNETKSA-N 293.282 4.869 10 1 CJCF CCN(CC)c1ccc(C/N=N/c2ccc(C)cc2)c(O)c1 169687835 BJDLVAZEVZBWDE-FMQUCBEESA-N 297.402 4.831 10 1 CJCF CCOc1ccc(/N=N/c2ccc(O)c3ncccc23)cc1 101846131 NHNCFENOUYGUML-FMQUCBEESA-N 293.326 4.755 10 1 CJCF Cn1ccc2c(-c3ccc(F)nc3)cc3c(c21)[C@H]1CC[C@@H]3C1 73242803 BJOVXTDNNPXWEA-NEPJUHHUSA-N 292.357 4.744 10 1 CJCF Cc1ccc(-c2nn(-c3ccccc3)cc2CN=[N+]=[N-])cc1 196228643 MFSSQQRDCXFUQI-UHFFFAOYSA-N 289.342 4.658 10 1 CJCF Cc1ccc2nc(/C=C/c3ccc(N(C)C)cc3)ccc2c1 7586274 HJLUKNMELQCKHX-WEVVVXLNSA-N 288.394 4.780 10 1 CJCF CCCCn1c(O)c(/N=N\c2ccccn2)c2ccccc21 102565255 XRGFBDPLYOOKHD-VXPUYCOJSA-N 294.358 4.957 10 1 CJCF c1ccc(N=Nc2nnc(Nc3ccccc3)s2)cc1 299811187 MJIOPLBUOHZKBO-UHFFFAOYSA-N 281.344 4.697 10 1 CJCF CN(C)c1ccc(/C=C/c2cc3ccccc3o2)cc1 45506711 XLEXDXOZTVTOAH-FMIVXFBMSA-N 263.340 4.669 10 1 CJCF Cc1cc(NCc2ccccc2O)ccc1-c1ccccc1 473081612 CQIHNGUWUCDBAJ-UHFFFAOYSA-N 289.378 4.980 10 1 CJCF FC(F)(F)c1cccc(N/N=N/c2ccccc2)c1 45284433 LKBXNIQWGOHADP-UHFFFAOYSA-N 265.238 4.816 10 1 CJCF Cc1ccccc1N=Nc1c(O)[nH]c2ccccc12 254120887 UBUKNDAQRIEDKX-UHFFFAOYSA-N 251.289 4.597 10 1 CJCF c1cc(N2CCCC2)ccc1OC12CC3CC(CC(C3)C1)C2 39239933 ULVWUMRSSJVKMM-UHFFFAOYSA-N 297.442 4.634 10 1 CJCF Cc1ccc2cc(C)c(-c3ccc(O)c(O)c3)c(C)c2c1 26937260 XZHUNDWDKCBPIC-UHFFFAOYSA-N 278.351 4.843 10 1 CJCF Cc1[nH]c2ccccc2c1C/N=N/c1nc2ccccc2[nH]1 169689604 FJOXVBJCAPHNBW-RELWKKBWSA-N 289.342 4.637 10 1 CJCF Nc1[nH]nc(C2CC2)c1/N=N\c1ccc(Cl)c(Cl)c1 102510696 XRDJBWCKWYAEOK-VLGSPTGOSA-N 296.161 4.592 10 1 CJCF COc1ccc(N=Nc2c(C)[nH]c3ccccc23)cc1 254045293 GHCRKBVYLCRUMW-UHFFFAOYSA-N 265.316 4.900 10 1 CJCF CCOC(=O)c1c(C)[nH]c(/N=N\c2ccccc2C)c1C 102367488 PXUQZPRBLNBYBX-HNENSFHCSA-N 285.347 4.532 10 1 CJCF [N-]=[N+]=NCCCCCCc1nc2ccc3c(c2[nH]1)CCCC3 587259735 HVWHVIWVQDGIDT-UHFFFAOYSA-N 297.406 4.855 10 1 CJCF CCc1ccc([C@@H](C)/N=N/c2cc(Cl)nc(C)n2)cc1 169688047 CLJNXTIRRATGEY-QUSGQHSNSA-N 288.782 4.846 10 1 CJCF CCOc1ccc(/N=N\c2ccc(O)c3ncccc23)cc1 12475110 NHNCFENOUYGUML-VXPUYCOJSA-N 293.326 4.755 10 1 CJCF COc1cccc(-c2cccc(-n3c(C)ccc3C)c2)c1 587925464 IINKDDATPUTLKQ-UHFFFAOYSA-N 277.367 4.770 10 1 CJCF CC(C)=CCCC1=CC[C@H]2C(=O)c3ccccc3C(=O)[C@H]2C1 29550845 JMNCKDJXDFRJDK-MSOLQXFVSA-N 294.394 4.765 10 1 CJCF CN(C)c1ccc(/C=C/c2ccc3cc(F)ccc3n2)cc1 36381111 RFYCUUCNRKMBKZ-FPYGCLRLSA-N 292.357 4.610 10 1 CJCF C/C(=C\N=N\c1nc2ccccc2[nH]1)Cc1ccccc1 169688452 MWBWUEHPXIWBKC-UVNARHGHSA-N 276.343 4.793 10 1 CJCF CN(C)c1ccc(/N=N/c2nc3ccccc3s2)cc1 39279304 XEZYAUBFSFAVEP-ISLYRVAYSA-N 282.372 4.778 10 1 CJCF CCOC(=O)c1c(C)[nH]c(N=Nc2ccc(C)cc2C)c1C 254010824 UHBBQBJNKISGCO-UHFFFAOYSA-N 299.374 4.840 10 1 CJCF Cc1cccc2c(NCc3ccco3)c3ccccc3nc12 45285810 STLFALYGOLFGDT-UHFFFAOYSA-N 288.350 4.902 10 1 CJCF CCCN(CCC)[C@@H]1CCn2c(ccc2-c2ccccc2)C1 13642175 QNMSZPXZAGXMKV-GOSISDBHSA-N 296.458 4.592 10 1 CJCF Oc1cccc(C(=S)c2ccc(-c3ccccc3)s2)c1 169328926 DCKQAYXRSOYUDL-UHFFFAOYSA-N 296.416 4.887 10 1 CJCF C[C@H](/N=N/c1ccc2ccccc2n1)c1ccccc1O 169691923 UYNOFLBIBOGFHX-IVGVGDLQSA-N 277.327 4.785 10 1 CJCF Cn1ccc2c(-c3ccc(F)nc3)cc3c(c21)[C@@H]1CC[C@@H]3C1 100586708 BJOVXTDNNPXWEA-VXGBXAGGSA-N 292.357 4.744 10 1 CJCF Cc1cc(/N=N/Cc2ccccc2O)c2ccccc2n1 169694026 QYYRMRSNZXIOSZ-CZIZESTLSA-N 277.327 4.533 10 1 CJCF CC(C)(C)c1ccc(C/N=N/c2cccc(C(=O)O)c2)cc1 169688494 XMZZPGDFEBTKGR-FMQUCBEESA-N 296.370 4.966 10 1 CJCF Cc1ccc(-c2cc3c(n2-c2ccccc2)CCC3)cc1 1772588386 LCYOXBXARGDOJU-UHFFFAOYSA-N 273.379 4.941 10 1 CJCF Cc1n[nH]c(C)c1N=Nc1cc(Cl)ccc1Cl 261136756 MFTCDLHOSXUWJT-UHFFFAOYSA-N 269.135 4.749 10 1 CJCF aggregator COc1ccccc1/N=N\c1[nH]c2ccc(C)cc2c1O 13123104 XDZHIOYGCSYDBH-HNENSFHCSA-N 281.315 4.606 10 1 CJCF COc1ccc(/N=N/c2c(C)[nH]c3ccccc23)cc1 12625496 GHCRKBVYLCRUMW-VHEBQXMUSA-N 265.316 4.900 10 1 CJCF CCc1ccc2nc(CCCCCCN=[N+]=[N-])[nH]c2c1 587260260 OVJLTZKYQBYROJ-UHFFFAOYSA-N 271.368 4.539 10 1 CJCF c1cc2c3c(cc(-c4ccc(-n5cccc5)cc4)nc3c1)CC2 587211565 UGJFMLRYQOQMKD-UHFFFAOYSA-N 296.373 4.791 10 1 CJCF CCCCn1c(O)c(/N=N/c2ccccn2)c2ccccc21 6910357 XRGFBDPLYOOKHD-FMQUCBEESA-N 294.358 4.957 10 1 CJCF Cc1[nH]c2ccccc2c1/N=N/c1ccccc1C(=O)O 8683932 ZZASMDVXOHOVCI-VHEBQXMUSA-N 279.299 4.590 10 1 CJCF CN(C)c1ccc(/N=N\c2cccc3ncccc23)cc1 5317980 BXRFPVFMVQNKGL-VXPUYCOJSA-N 276.343 4.716 10 1 CJCF COc1ccc(/N=N\c2ccc3ccccc3c2)c(O)c1 13110454 SSZAIJWRZRKITC-HNENSFHCSA-N 278.311 4.969 10 1 CJCF Cc1[nH]c2ccccc2c1N=Nc1ccccc1C(=O)O 253993333 ZZASMDVXOHOVCI-UHFFFAOYSA-N 279.299 4.590 10 1 CJCF c1ccc(-c2cc3c(n2-c2ccccc2)CCC3)cc1 1772569997 DGFNNEVUQFQUFL-UHFFFAOYSA-N 259.352 4.633 10 1 CJCF CCOC(=O)c1c(C)[nH]c(/N=N/c2ccc(C)cc2C)c1C 101552795 UHBBQBJNKISGCO-FMQUCBEESA-N 299.374 4.840 10 1 CJCF Cc1ccccc1/N=N/c1c(O)[nH]c2ccccc12 102892803 UBUKNDAQRIEDKX-ISLYRVAYSA-N 251.289 4.597 10 1 CJCF CC(C)C[C@H](C)N(c1ccccc1)c1ccc(N)cc1 5138286 KZTCAXCBXSIQSS-HNNXBMFYSA-N 268.404 4.842 10 1 CJCF C[C@@H](/N=N/c1ccc2ccccc2n1)c1ccccc1O 169691922 UYNOFLBIBOGFHX-WMSNYHIESA-N 277.327 4.785 10 1 CJCF Oc1ccccc1CNc1ccc(-c2ccc(F)cc2)cc1 473082058 FXIJRTIYUHJLGO-UHFFFAOYSA-N 293.341 4.810 10 1 CJCF O=C(Nc1c2ccccc2nc2ccccc12)c1ccccc1 5390931 ZXYQARLLWHRPJC-UHFFFAOYSA-N 298.345 4.640 10 1 CJCF Nc1cccc(Nc2c3ccccc3nc3ccccc23)c1 5422260 WXROLRGGANVSPA-UHFFFAOYSA-N 285.350 4.714 10 1 CJCF Cc1ccc(/N=N/c2c(O)[nH]c3ccc(F)cc23)cc1 13657921 VTAZXYWWFZTERK-VHEBQXMUSA-N 269.279 4.736 10 1 CJCF