smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(C)CN(Cc1c(O)ccc2ccccc12)CC(C)C 4339927 ABPITNTXXGOCET-UHFFFAOYSA-N 285.431 4.659 10 50 CJCA Cc1ccc(N/N=N/c2ccc(Br)cc2)cc1 4996362 SJJFNJPZHOPZAZ-UHFFFAOYSA-N 290.164 4.868 10 50 CJCA CCCc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 393671 HYQVIXGSNDUWKE-UHFFFAOYSA-N 262.356 4.696 10 50 CJCA Cc1ccc(/N=N/c2nc3ccccc3n2C)c(C)c1 100265750 DGMRDEVTXYFDBN-VHEBQXMUSA-N 264.332 4.606 10 50 CJCA [N-]=[N+]=NP(=O)(Oc1ccccc1)Oc1ccccc1 4352551 SORGEQQSQGNZFI-UHFFFAOYSA-N 275.204 4.563 10 50 CJCA Oc1ccccc1/N=N/c1sc2ccccc2c1O 6598381 HZZUIMLYAFBHEV-FOCLMDBBSA-N 270.313 4.728 10 50 CJCA Cc1ccc(/N=N/c2c(C)nn(-c3ccccc3)c2O)cc1 100297068 NBLQHNIKXKDPGE-VHEBQXMUSA-N 292.342 4.610 10 50 CJCA CCN(CC)c1ccc(/N=N/c2ccccc2)c(O)c1 4772938 JEECDDYJZTVOEJ-ISLYRVAYSA-N 269.348 4.654 10 50 CJCA CC(=O)c1ccc(-n2c(C)ccc2-c2ccccc2)cc1 378433 UDWVPCKQKOFUNR-UHFFFAOYSA-N 275.351 4.655 10 50 CJCA CCN(CC)c1ccc(/C=C/c2ccc([N+](=O)[O-])cc2)cc1 295398 IXYATCDSDHQBLY-AATRIKPKSA-N 296.370 4.611 10 50 CJCA Cc1cc(C)c(/N=N/c2nc3ccccc3n2C)c(C)c1 3876539 WDNOTPYINPAXJC-FMQUCBEESA-N 278.359 4.914 10 50 CJCA CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2 226701588 DTYQIOJPXOFYPX-FUHIMQAGSA-N 289.378 4.716 10 50 CJCA Cc1ccc(N[C@H](C)c2cc(Cl)ccc2O)cc1 350140 OTSRWQVQYSTABW-LLVKDONJSA-N 261.752 4.527 10 50 CJCA CCN(Cc1ccccc1)Cc1ccc(N(CC)CC)cc1 4981106 UPXMLGZBKQNZJQ-UHFFFAOYSA-N 296.458 4.555 10 50 CJCA Fc1ccc(C2Nc3cccc4cccc(c34)N2)cc1 32479 GNVWTXOONDMSAH-UHFFFAOYSA-N 264.303 4.515 10 50 CJCA Clc1cccc2c1Oc1cccc3c1N2CCC3 4710022 PMMSYMSZXHOEEV-UHFFFAOYSA-N 257.720 4.530 10 50 CJCA CCOc1cccc(/N=N/c2ccc(N(C)C)cc2)c1 4773685 XZGKXOXICOEUQZ-ISLYRVAYSA-N 269.348 4.567 10 50 CJCA Cc1ccc(C)n1-c1ccc(Nc2ccccc2)cc1 295146 FJZFUNBBAZJHTD-UHFFFAOYSA-N 262.356 4.838 10 50 CJCA CCN(CC)c1ccc(/N=N/c2ccccc2C(=O)O)cc1 3861449 HBRCDTRQDHMTDA-VHEBQXMUSA-N 297.358 4.646 10 50 CJCA in-vitro Oc1ccccc1Nc1c2ccccc2nc2ccccc12 5162786 XOVABTQUHPCHMK-UHFFFAOYSA-N 286.334 4.837 10 50 CJCA COc1cccc2c1N[C@H](c1ccccc1)[C@H]1CC=C[C@H]21 4007958 HLZHPANVGJGEPW-RLFYNMQTSA-N 277.367 4.522 10 50 CJCA CN(C)c1ccc(/N=N/c2cccc(Cl)c2)cc1 18083310 ZWJXJMMRLCEJAL-WUKNDPDISA-N 259.740 4.821 10 50 CJCA in-vitro Clc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccnc1)N2 5274338 HXRTXXXBRLLKPU-KEYYUXOJSA-N 282.774 4.562 10 50 CJCA Cc1ccc(C)c(C2=C/C(=C\c3ccc(C)s3)C(=O)O2)c1 4949288 XPZOCVNQPSFYFT-NTEUORMPSA-N 296.391 4.655 10 50 CJCA c1cc2c3c(cccc3c1)NC1(CCCCCC1)N2 135797 DHXWVWPVLLJSRG-UHFFFAOYSA-N 252.361 4.728 10 50 CJCA CC(C)(C)c1ccc(O)c(/N=N/c2cccnc2)c1 5260900 MGJOVGCKMOFGGQ-ISLYRVAYSA-N 255.321 4.500 10 50 CJCA CN(C)c1ccc(CNc2cccc(Cl)c2Cl)cc1 409915 IMRLCGPFWCMUIK-UHFFFAOYSA-N 295.213 4.672 10 50 CJCA CCOc1ccc(/N=N/c2ccc(OCC)cc2)cc1 5196898 FMPYMMTZQFFROU-ISLYRVAYSA-N 270.332 4.899 10 50 CJCA Cc1ccc(C)c(/N=N/c2nc3ccccc3n2C)c1 96430101 PNCNXYYPUMUHLM-VHEBQXMUSA-N 264.332 4.606 10 50 CJCA O=C(O)c1cccc(N=Nc2c(O)ccc3ccccc23)c1 254699084 NFCGYAAQTUVYNX-UHFFFAOYSA-N 292.294 4.659 10 50 CJCA Cc1ccc(/N=N/N(C)/N=N/c2ccc(C)cc2)cc1 18022945 QYJYKVPNNJFJGE-YWNVXTCZSA-N 267.336 4.933 10 50 CJCA Nc1ccc(Oc2ccc(-c3ccccc3)cc2)cc1 2827101 JSKKUFIMCFTTRV-UHFFFAOYSA-N 261.324 4.728 10 50 CJCA Cc1ccc(-n2c(C)cc3c2CC(C)(C)CC3=O)cc1C 620381 PFNAKNKFWAVWRH-UHFFFAOYSA-N 281.399 4.558 10 50 CJCA CCN(CC)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1 4530020 LVQIWDUSUJTZJF-ISLYRVAYSA-N 298.346 4.856 10 50 CJCA Fc1cccc(C2Nc3cccc4cccc(c34)N2)c1 232258 ADIXISMNKJHIRP-UHFFFAOYSA-N 264.303 4.515 10 50 CJCA O=[N+]([O-])c1ccc(/N=N/c2ccc(O)cc2)c2ccccc12 4100720 XDECGOULVYFKHO-ISLYRVAYSA-N 293.282 4.869 10 50 CJCA Nc1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1CCC[C@H]21 4535364 DPDVLHAMYZQEMF-JJRVBVJISA-N 298.817 4.973 10 50 CJCA Oc1ccccc1N=Nc1c(O)ccc2ccccc12 254341974 QFHZPBSLCHTFBB-UHFFFAOYSA-N 264.284 4.666 10 50 CJCA Cc1ccc(C2Nc3cccc4cccc(c34)N2)cc1 135804 HZAWSECNAURSLI-UHFFFAOYSA-N 260.340 4.684 10 50 CJCA Cc1ccc(C)n1-c1ccc(Oc2ccccc2)cc1 3878529 OHJYFLXQGVLTDK-UHFFFAOYSA-N 263.340 4.886 10 50 CJCA Oc1ccc(/N=N/c2cc(Cl)ccc2Cl)c(O)c1 17157714 GKASMNGSPFYERF-FOCLMDBBSA-N 283.114 4.820 10 50 CJCA CCOc1ccc(N[C@@H](C)c2cc(Cl)ccc2O)cc1 530825 FRNYXYVRARGLIN-NSHDSACASA-N 291.778 4.617 10 50 CJCA Cc1ccc(C)c(Nc2nc(-c3ccncc3)cs2)c1 613175 JSYWERBFDZEEHC-UHFFFAOYSA-N 281.384 4.566 10 50 CJCA Nc1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CCC[C@H]21 4535356 DPDVLHAMYZQEMF-GRDNDAEWSA-N 298.817 4.973 10 50 CJCA O=[N+]([O-])c1ccccc1N=Nc1c(O)ccc2ccccc12 254824542 YTVNZOABECTEPK-UHFFFAOYSA-N 293.282 4.869 10 50 CJCA Cc1cc(N)ccc1N=Nc1ccc(Br)cc1 254747427 DTLYXAPFDBWNND-UHFFFAOYSA-N 290.164 4.755 10 50 CJCA COc1cccc2c1N[C@H](c1ccc(F)cc1)[C@H]1CC=C[C@H]21 4007992 SCUKTZVQOULZEG-RLFYNMQTSA-N 295.357 4.661 10 50 CJCA Cc1ccc(O)c(/N=N/c2ccc(Br)cc2)c1 5379816 LJDHWWUBIYJUGV-FOCLMDBBSA-N 291.148 4.879 10 50 CJCA Nc1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)c2ccccc12 5422305 YDDXIMLCWVDKRS-VHEBQXMUSA-N 292.298 4.746 10 50 CJCA Nc1ccc(Oc2ccccc2-c2ccccc2)cc1 482374 ZWQOXRDNGHWDBS-UHFFFAOYSA-N 261.324 4.728 10 50 CJCA Cc1cc(N(C)C)ccc1/N=N/c1ccc([N+](=O)[O-])c(C)c1 4774591 LLWSKRIIZBCGAM-ISLYRVAYSA-N 298.346 4.693 10 50 CJCA Cc1cc(-c2ccc(Oc3ccc(N)cn3)cc2)ccc1F 1506410077 DILQJFMEZOYMBL-UHFFFAOYSA-N 294.329 4.571 10 50 CJCA Oc1ccc(/N=N/c2sc3ccccc3c2O)cc1 4997253 OKTIUDSGUPIUKI-FOCLMDBBSA-N 270.313 4.728 10 50 CJCA CCc1ccccc1Nc1nc(-c2ccncc2)cs1 190429 GRWZQIBFFXVSFP-UHFFFAOYSA-N 281.384 4.511 10 50 CJCA CC(=O)Nc1ccc(/N=N/c2ccccc2C)cc1C 100019743 GFMVVEHDEIYWTL-VHEBQXMUSA-N 267.332 4.677 10 50 CJCA in-vitro Cc1cc2c(cc1C)N(Cc1cc(C(C)C)ccc1O)CC2 1659178871 HBPAGNFRJXDAHH-UHFFFAOYSA-N 295.426 4.695 10 50 CJCA Cc1ccc(C2Nc3cccc4cccc(c34)N2)s1 232245 TWLCHPQEGKAWQZ-UHFFFAOYSA-N 266.369 4.746 10 50 CJCA O=[N+]([O-])c1ccc(N=Nc2c(O)ccc3ccccc23)cc1 12405010 WOTPFVNWMLFMFW-UHFFFAOYSA-N 293.282 4.869 10 50 CJCA CC(=O)Nc1ccc(C)cc1/N=N/c1ccc(C)cc1 5380395 BIBIMKMWCAYKAQ-VHEBQXMUSA-N 267.332 4.677 10 50 CJCA Clc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccncc1)N2 111441797 XOBNODRGGOXAOS-JKIFEVAISA-N 282.774 4.562 10 50 CJCA Oc1ccc(N=Nc2ccc(O)c(Cl)c2)cc1Cl 254747293 WTIAICHPBWPDQK-UHFFFAOYSA-N 283.114 4.820 10 50 CJCA Clc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccncc1)N2 4003796 XOBNODRGGOXAOS-KEYYUXOJSA-N 282.774 4.562 10 50 CJCA O=C(O)c1ccc(N=Nc2ccc(O)c3ccccc23)cc1 1857800661 PFFZLNQPBBCQAW-UHFFFAOYSA-N 292.294 4.659 10 50 CJCA COc1cc(/N=N/c2ccc3ccccc3c2)ccc1O 4100733 GROKUDWFNHFFSO-VHEBQXMUSA-N 278.311 4.969 10 50 CJCA COc1cccc2c1N[C@H](c1ccccc1)[C@@H]1CC=C[C@H]21 4007960 HLZHPANVGJGEPW-HDMKZQKVSA-N 277.367 4.522 10 50 CJCA CCc1c(-c2ccccc2)cn2c1-c1ccc(C)n1CC2 245585 JYATWJCAWIRUPO-UHFFFAOYSA-N 276.383 4.508 10 50 CJCA CCN(CC)c1ccc(/N=N/c2ccccc2)cc1 4806350 SJJISKLXUJVZOA-ISLYRVAYSA-N 253.349 4.948 10 50 CJCA in-vitro Cc1ccc(C2=C/C(=C/c3ccccc3Cl)C(=O)O2)cc1 432631 SQNHVFUTNCUKHO-GDNBJRDFSA-N 296.753 4.630 10 50 CJCA CCN(Cc1ccccc1)Cc1c(O)ccc2ccccc12 3680986 WTPFCBHQQUJSTA-UHFFFAOYSA-N 291.394 4.568 10 50 CJCA Cc1cc2c(n1-c1cccc(Cl)c1)CC(C)(C)CC2=O 2512809 KBVNJANYIOWEOS-UHFFFAOYSA-N 287.790 4.594 10 50 CJCA CCc1ccc(C2Nc3cccc4cccc(c34)N2)cc1 4139581 RHLVJGLNYFNOLK-UHFFFAOYSA-N 274.367 4.938 10 50 CJCA Nc1ccc(CSc2cccc(C(F)(F)F)c2)cc1 168294 AZCRSFJBEAVNAT-UHFFFAOYSA-N 283.318 4.580 10 50 CJCA biogenic C/C(=C\c1ccco1)C1Nc2cccc3cccc(c23)N1 5129873 JGBDGHPTJYSDRP-VAWYXSNFSA-N 276.339 4.700 10 50 CJCA CCN(CC)Cc1cc([C@@H]2CCCC[C@@H]2C)ccc1O 96026332 UFSMLQUMBCHYPA-WMLDXEAASA-N 275.436 4.528 10 50 CJCA O/[N+](=N/c1ccc(Cl)cc1)c1ccc(Cl)cc1 253394069 TWHXZJWASPEKSG-UHFFFAOYSA-N 268.123 4.811 10 50 CJCA Clc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccncc1)N2 4140550 XOBNODRGGOXAOS-CPUCHLNUSA-N 282.774 4.562 10 50 CJCA Oc1ccc(/N=N/c2ccc(Br)cc2)cc1 13473130 YEBZABRSUREBDG-CCEZHUSRSA-N 277.121 4.570 10 50 CJCA CCOc1ccc(/N=N/c2ccc(N(C)C)cc2)cc1 4773676 IKIMBVVRWMOZFT-ISLYRVAYSA-N 269.348 4.567 10 50 CJCA CSc1ccc(NCc2c(O)ccc3ccccc23)cc1 409968 ANYIEJCYLFMISI-UHFFFAOYSA-N 295.407 4.879 10 50 CJCA Cc1ccc(/N=N/c2ccc(N(C)C)cc2)cc1C 4772949 ILUWGGAOQJAFCM-ISLYRVAYSA-N 253.349 4.785 10 50 CJCA Nc1nc(-c2cccs2)c(/N=N\c2ccccc2)s1 4088286 XLQYITCWFAVVCO-MSUUIHNZSA-N 286.385 4.869 10 50 CJCA COc1ccccc1/N=N/c1cn(C)c2ccccc12 4981650 YLIDFFDZWNOQAG-ISLYRVAYSA-N 265.316 4.602 10 50 CJCA Cc1ccc(O)c(/N=N/c2cccc(Br)c2)c1 4827593 CAVZZHXIUAXPBK-FOCLMDBBSA-N 291.148 4.879 10 50 CJCA Clc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccnc1)N2 222458292 HXRTXXXBRLLKPU-JKIFEVAISA-N 282.774 4.562 10 50 CJCA CCN(CC)Cc1cc([C@H]2CCCC[C@H]2C)ccc1O 96026335 UFSMLQUMBCHYPA-PBHICJAKSA-N 275.436 4.528 10 50 CJCA Cc1ccc(N[C@@H](C)c2cc(Cl)ccc2O)cc1 350139 OTSRWQVQYSTABW-NSHDSACASA-N 261.752 4.527 10 50 CJCA CCCN(CCC)c1cccc(NC(=O)c2ccccc2)c1 401847 NDJFTQMHIADZBX-UHFFFAOYSA-N 296.414 4.565 10 50 CJCA CCOc1ccccc1-n1c(C)ccc1-c1ccccc1 360894 LSFXZEGUBYCCRJ-UHFFFAOYSA-N 277.367 4.851 10 50 CJCA CCN(CC)Cc1cc([C@H]2CCCC[C@@H]2C)ccc1O 96026333 UFSMLQUMBCHYPA-YOEHRIQHSA-N 275.436 4.528 10 50 CJCA CCN(C)c1ccc(/N=N/c2ccc(C)cc2)cc1 4774729 YNROXNAHGVGFNE-ISLYRVAYSA-N 253.349 4.867 10 50 CJCA O=Cc1cc(/N=N/c2cccc3ccccc23)ccc1O 100182707 JCCKZVZPMBTSSI-VHEBQXMUSA-N 276.295 4.773 10 50 CJCA Oc1ccc(/N=N\c2c(O)ccc3ccccc23)cc1 100469689 VFCMIQSRZVLDRW-ZCXUNETKSA-N 264.284 4.666 10 50 CJCA CCCn1cnc2cc(NCc3ccc(Cl)cc3)ccc21 6702893 HIYCKCDNJMLFJC-UHFFFAOYSA-N 299.805 4.712 10 50 CJCA CN(C)c1ccc(CNc2ccc(Cl)c(Cl)c2)cc1 398713 UMQJKKQMPKZPIV-UHFFFAOYSA-N 295.213 4.672 10 50 CJCA CCOc1ccc(N[C@H](C)c2cc(Cl)ccc2O)cc1 530826 FRNYXYVRARGLIN-LLVKDONJSA-N 291.778 4.617 10 50 CJCA CC(C)c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 12633679 KDPMUOQKEHXSOI-UHFFFAOYSA-N 262.356 4.867 10 50 CJCA CCOC(=O)c1sc2cccc(CN=[N+]=[N-])c2c1Cl 4085684 ADCBHVHEHYNMEG-UHFFFAOYSA-N 295.751 4.542 10 50 CJCA NCCNc1ccc(/N=N/c2ccccc2)c2ccccc12 37637256 SQDLUZBDQGDKTK-QURGRASLSA-N 290.370 4.626 10 50 CJCA Oc1cccc2nc3c4ccccc4c4ccccc4c3nc12 4619448 XKRVCCJBSUHZRA-UHFFFAOYSA-N 296.329 4.795 10 50 CJCA Nc1ccc(N(c2ccccc2)c2ccccc2)cc1 4773769 UXKQNCDDHDBAPD-UHFFFAOYSA-N 260.340 4.739 10 50 CJCA in-vitro Cc1ccc(C2=C/C(=C\C=C\c3ccccc3)C(=O)O2)cc1 15723641 MZPRVFDVZDZMJF-HYZSBJHASA-N 288.346 4.533 10 50 CJCA Oc1ccc(/N=N/c2cccc(C(F)(F)F)c2)cc1 71772750 JSBIVWWWJHKDSX-ISLYRVAYSA-N 266.222 4.826 10 50 CJCA c1coc(CNc2c3ccccc3nc3ccccc23)c1 4340250 OQMCXJMYARKPMZ-UHFFFAOYSA-N 274.323 4.593 10 50 CJCA Cc1ccc(C2=C/C(=C/c3ccc(Cl)cc3)C(=O)O2)cc1 88804 BHCNOVHOPKCNEU-GDNBJRDFSA-N 296.753 4.630 10 50 CJCA CC(C)C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 1230660 PRXLIEMIYWMODF-UHFFFAOYSA-N 296.458 4.607 10 50 CJCA COc1cccc2c1N[C@H](c1ccc(F)cc1)[C@H]1CC=C[C@@H]21 197855 SCUKTZVQOULZEG-RVKKMQEKSA-N 295.357 4.661 10 50 CJCA Cc1ccccc1/C=C1\C=C(c2ccc(Cl)cc2)OC1=O 446515 SKCFNHUXFKZNRI-XNTDXEJSSA-N 296.753 4.630 10 50 CJCA CC(=O)Nc1ccc(C)cc1N=Nc1ccc(C)cc1 256162194 BIBIMKMWCAYKAQ-UHFFFAOYSA-N 267.332 4.677 10 50 CJCA c1ccc(-c2n[nH]c(-c3ccccc3)c3cccc2-3)cc1 185773 ZDYDCZBULKDSMK-UHFFFAOYSA-N 270.335 4.849 10 50 CJCA CC(C)(C)c1ccccc1C(=S)Cc1ccccc1 4760400 GBWOZCVJUITLOA-UHFFFAOYSA-N 268.425 4.945 10 50 CJCA C/C(=C\CO)CC/C=C(\C)CC/C=C(\C)CN=[N+]=[N-] 64857844 FRARHOTUPWLCHV-RDUMTQBOSA-N 263.385 4.688 10 50 CJCA in-vitro c1ccc(Nc2c3ccccc3nc3ccccc23)nc1 4151276 ZJEWFPBFQJVEEW-UHFFFAOYSA-N 271.323 4.527 10 50 CJCA Clc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccnc1)N2 96006169 HXRTXXXBRLLKPU-CPUCHLNUSA-N 282.774 4.562 10 50 CJCA CCCCc1ccc([N+]([O-])=Nc2ccc(OC)cc2)cc1 111908707 LWPWICQRCLMVST-UHFFFAOYSA-N 284.359 4.964 10 50 CJCA CCNc1cccc(/N=N/c2cccc(NCC)c2)c1 5312184 FSCMOLNACICFIV-FMQUCBEESA-N 268.364 4.966 10 50 CJCA CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2 226701602 DTYQIOJPXOFYPX-MBOZVWFJSA-N 289.378 4.716 10 50 CJCA COc1ccc(C)cc1/N=N/c1ccc(O)c2ncccc12 100482642 CLRFQYDSYIRYQC-FMQUCBEESA-N 293.326 4.673 10 50 CJCA Cc1ccc(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 470042 OTCMNZDGIJIMKV-UHFFFAOYSA-N 292.338 4.669 10 50 CJCA Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 40457252 ZOOUFTURZKDEQL-UHFFFAOYSA-N 295.345 4.672 10 50 CJCA Clc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccnc1)N2 43769605 HXRTXXXBRLLKPU-CKEIUWERSA-N 282.774 4.562 10 50 CJCA COc1ccc(/N=N/c2cn(C(C)=O)c3ccccc23)cc1 22341832 DNHGEXGOGHGDDY-VHEBQXMUSA-N 293.326 4.725 10 50 CJCA CCOc1ccc(C2Nc3cccc4cccc(c34)N2)cc1 135774 AFPYSPGLOVBMRR-UHFFFAOYSA-N 290.366 4.775 10 50 CJCA Oc1cc2ccccc2c(/N=N/c2ccccc2)c1O 71771470 ZCGUTLKZHUHUDN-ISLYRVAYSA-N 264.284 4.666 10 50 CJCA CCOC(=O)Oc1ccc(/N=N/c2ccccc2)cc1 4829220 CJGURVSMTVAHLJ-WUKNDPDISA-N 270.288 4.637 10 50 CJCA O=C1CCCc2c1cc(-c1ccccc1)n2-c1ccccc1 3133695 BYDPATGSGNCVRY-UHFFFAOYSA-N 287.362 4.663 10 50 CJCA c1ccc2c(Nc3nccs3)c3ccccc3nc2c1 4178530 UBIRHIAEMDOENW-UHFFFAOYSA-N 277.352 4.588 10 50 CJCA Cc1cccc(C2Nc3cccc4cccc(c34)N2)c1 232263 HPFJVSRZYNTHHT-UHFFFAOYSA-N 260.340 4.684 10 50 CJCA Oc1ccc(-c2ccccc2)cc1CN1CCCCCCC1 12191220 GEZVNGGOQOJRQP-UHFFFAOYSA-N 295.426 4.825 10 50 CJCA [O-]/[N+](=N\c1ccccc1Cl)c1ccccc1Cl 4897342 NKUNBLUACJUHOA-NXVVXOECSA-N 267.115 4.919 10 50 CJCA Oc1ccccc1-c1nc2ccccc2nc1-c1ccccc1 15952647 WYAVXXXJEGLNFR-UHFFFAOYSA-N 298.345 4.669 10 50 CJCA C[N+](C)(C)c1ccc(C=C2C=C3C(=C2)[C@H]2CC[C@H]3C2)cc1 101080996 RJWOWTBZVDZFFQ-IRXDYDNUSA-N 278.419 4.563 10 50 CJCA CCn1ccc2ccc(-c3cnc4ccccc4c3)cc21 2325776815 CHHDVTDKVKAYLM-UHFFFAOYSA-N 272.351 4.876 10 50 CJCA CCN(C)c1ccc(/N=N/c2ccc(C(C)=O)cc2)cc1 4774726 WBXMXTVEAJLPON-VHEBQXMUSA-N 281.359 4.761 10 50 CJCA Fc1ccccc1C1Nc2cccc3cccc(c23)N1 228754 UMOLDPXDZAIHME-UHFFFAOYSA-N 264.303 4.515 10 50 CJCA Oc1ccc(N=Nc2ccc(Br)cc2)cc1 254555142 YEBZABRSUREBDG-UHFFFAOYSA-N 277.121 4.570 10 50 CJCA aggregator COc1cccc2c1N[C@H](c1ccc(F)cc1)[C@@H]1CC=C[C@H]21 2466058 SCUKTZVQOULZEG-HDMKZQKVSA-N 295.357 4.661 10 50 CJCA Cc1ccc(Nc2nc(-c3ccncc3)cs2)c(C)c1 98022 VJUDRNAIBYLBFM-UHFFFAOYSA-N 281.384 4.566 10 50 CJCA Cc1cc([N+](=O)[O-])c(C)cc1/N=N/c1ccc(N(C)C)cc1 4774420 GSTPUBYJJIMOGG-ISLYRVAYSA-N 298.346 4.693 10 50 CJCA Nc1ccc(/N=N/c2ccc(Cl)nc2)c2ccccc12 71771178 NBYDTWGGNFRREO-FMQUCBEESA-N 282.734 4.886 10 50 CJCA [O-][N+](=Nc1ccc(Cl)cc1)c1ccc(Cl)cc1 104145463 NMAZIJPSESMWSA-UHFFFAOYSA-N 267.115 4.919 10 50 CJCA COc1cccc2c1N[C@H](c1ccc(F)cc1)[C@@H]1CC=C[C@@H]21 13562563 SCUKTZVQOULZEG-IIDMSEBBSA-N 295.357 4.661 10 50 CJCA Cc1ccc(NCc2c(O)ccc3ccccc23)cc1C 409969 YGXSUYQUAYAMQZ-UHFFFAOYSA-N 277.367 4.774 10 50 CJCA O=C1c2ccccc2C(=O)C1c1ccc(-c2ccccc2)cc1 100370100 FKIGKEFBTLDBNH-UHFFFAOYSA-N 298.341 4.516 10 50 CJCA Cc1cc2c(n1-c1ccc(Cl)cc1)CC(C)(C)CC2=O 619951 CTXBIEWMRWEGOR-UHFFFAOYSA-N 287.790 4.594 10 50 CJCA CN(C)c1ccc(/N=N/c2ccccc2Cl)cc1 5173007 AXTUMSFTJSYZOD-WUKNDPDISA-N 259.740 4.821 10 50 CJCA in-vitro Clc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccncc1)N2 978932 XOBNODRGGOXAOS-CKEIUWERSA-N 282.774 4.562 10 50 CJCA O=C(O)c1ccc(/N=N/c2c(O)ccc3ccccc23)cc1 5005187 AQRGZQUDLJBENA-VHEBQXMUSA-N 292.294 4.659 10 50 CJCA COc1cccc2c1N[C@H](c1ccccc1)[C@@H]1CC=C[C@@H]21 16663364 HLZHPANVGJGEPW-IIDMSEBBSA-N 277.367 4.522 10 50 CJCA Oc1c(/N=N/c2ccccc2)cc2c3c1CCCN3CCC2 95918519 VUDVSBCKIRWZDE-FMQUCBEESA-N 293.370 4.506 10 50 CJCA CCc1ccc(/N=N/c2ccc(N(C)C)cc2)cc1 18058736 DGQBCKAZUSBZND-ISLYRVAYSA-N 253.349 4.730 10 50 CJCA Cc1cccc(N[C@@H](C)c2cc(Cl)ccc2O)c1C 350150 DYILWFVSLLZIIR-LBPRGKRZSA-N 275.779 4.836 10 50 CJCA COc1ccc(/[N+]([O-])=N/c2cccc3ccccc23)cc1 4100727 XOIXBINLAZFJCS-HNENSFHCSA-N 278.311 4.774 10 50 CJCA Cc1cccc(/N=N/c2ccc(N(C)C)cc2C)c1 4772947 IGPUGQAOESWGMS-ISLYRVAYSA-N 253.349 4.785 10 50 CJCA Oc1ccccc1Cn1c2ccccc2c2ccccc21 3880657 JMCMEHFMCUZWDJ-UHFFFAOYSA-N 273.335 4.548 10 50 CJCA c1cncc(Nc2c3ccccc3nc3ccccc23)c1 3909556 JLRSDWPIUIYLKY-UHFFFAOYSA-N 271.323 4.527 10 50 CJCA CN(C)c1ccc(/C=C/c2nc3ccccc3s2)cc1 3848416 MVMOMSLTZMMLJR-FMIVXFBMSA-N 280.396 4.533 10 50 CJCA aggregator CN(C)c1ccc(N=Nc2ccc(Cl)cc2)cc1 254806512 WQWHNMIYCHFRJK-UHFFFAOYSA-N 259.740 4.821 10 50 CJCA CCCn1cnc2cc(NCc3ccccc3Cl)ccc21 1062166 FMZAFBLXFYIQJB-UHFFFAOYSA-N 299.805 4.712 10 50 CJCA Nc1[nH]nc(-c2ccccc2)c1/N=N/c1ccccc1Cl 4086009 BLRFRMRBJXUOFO-CZIZESTLSA-N 297.749 4.728 10 50 CJCA Cc1ccc(C)n1-c1cccc(-n2c(C)ccc2C)c1 295150 DCAZURSBZOUUME-UHFFFAOYSA-N 264.372 4.502 10 50 CJCA Cc1cc(C=O)c(C)n1-c1ccc(-c2ccccc2)cc1 295138 BZDQNPDQZRRIRK-UHFFFAOYSA-N 275.351 4.574 10 50 CJCA COc1cccc2c1N[C@H](c1ccccc1)[C@H]1CC=C[C@@H]21 16663361 HLZHPANVGJGEPW-RVKKMQEKSA-N 277.367 4.522 10 50 CJCA O=[N+]([O-])c1cc(/N=N/c2ccc3ccccc3c2)ccc1O 4100718 ZDSQRPKIPXBMII-ISLYRVAYSA-N 293.282 4.869 10 50 CJCA COc1ccc(/N=N/c2ccc(N)c3ccccc23)cc1 71771131 VXNGMFSSRFWWOU-FMQUCBEESA-N 277.327 4.846 10 50 CJCA O=C(O)c1ccccc1/N=N/c1c(O)ccc2ccccc12 5065828 OMRMWDQPXBZWGS-VHEBQXMUSA-N 292.294 4.659 10 50 CJCA Nc1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CCC[C@@H]21 35168 DPDVLHAMYZQEMF-JKIFEVAISA-N 298.817 4.973 10 50 CJCA CN(C)c1ccc(/N=N/c2ccc(Cl)cc2)cc1 5173001 WQWHNMIYCHFRJK-WUKNDPDISA-N 259.740 4.821 10 50 CJCA Cc1cccc(N[C@H](C)c2cc(Cl)ccc2O)c1C 350152 DYILWFVSLLZIIR-GFCCVEGCSA-N 275.779 4.836 10 50 CJCA Cc1ccc(NCc2c(O)ccc3ccccc23)c(C)c1 410159 JTDMEEVFQWUECA-UHFFFAOYSA-N 277.367 4.774 10 50 CJCA O=[N+]([O-])c1ccc(/N=N/c2ccc3ccccc3c2O)cc1 17994067 HPHIPYYTKHFLPA-ISLYRVAYSA-N 293.282 4.869 10 50 CJCA CCN(CC)Cc1cc([C@@H]2CCCC[C@H]2C)ccc1O 96026334 UFSMLQUMBCHYPA-RHSMWYFYSA-N 275.436 4.528 10 50 CJCA CCCCn1cnc2cc(NCc3ccc(C)cc3)ccc21 2602262 QBSRPXBWJCLFAQ-UHFFFAOYSA-N 293.414 4.757 10 50 CJCA COc1ccccc1/N=N/c1c(O)ccc2ccccc12 100006019 ALLOLPOYFRLCCX-VHEBQXMUSA-N 278.311 4.969 10 50 CJCA in-vitro CCC(=S)/C=C1/Sc2ccc(C)cc2N1CC 102315702 JBBZJVVANQGOCN-NTEUORMPSA-N 263.431 4.548 10 50 CJCA