smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC[C@H](NC(=O)c1ccccc1SC)c1ccc(C)cc1C 218193851 GHEUYTZAKIXSKK-KRWDZBQOSA-N 313.466 4.906 70 40 DJIB Cc1nc2ccccc2cc1-c1nnc(-c2ccccc2Cl)o1 216665651 MHNRSAJNCKCYMF-UHFFFAOYSA-N 321.767 4.914 70 40 DJIB CC[C@H](NC(=O)/C=C/c1ccccc1OC)c1ccc(C)c(C)c1 217967815 VDCOELWJJFGCGO-HYSAVQALSA-N 323.436 4.593 70 40 DJIB CCN(C(=O)c1cncc(-c2ccccc2)c1)c1ccc(F)cc1 160064558 AFANFZLEVJBZDT-UHFFFAOYSA-N 320.367 4.554 70 40 DJIB Cc1ccccc1NC(=O)NCC1(c2ccsc2)CCCC1 217486229 SJAMLYUYFCNUDU-UHFFFAOYSA-N 314.454 4.690 70 40 DJIB CCCNc1cc([C@H](C)N(C)C(=O)OC(C)(C)C)ccc1C 218283548 DZKLOFZAWFGPMP-AWEZNQCLSA-N 306.450 4.745 70 40 DJIB CCN(CC)c1ccc(-c2nc3ccccc3s2)c(OC)c1 217783688 CKMLXENKKOCHRF-UHFFFAOYSA-N 312.438 4.818 70 40 DJIB NNc1nc2ccc(Oc3cccc4ccccc34)cc2s1 216780682 KFQNEWYNXYMVDA-UHFFFAOYSA-N 307.378 4.527 70 40 DJIB CCCn1c(C)c(C(=O)OCC)c2cc(OCC(C)C)ccc21 217765368 AGUZPWWIVMUFLL-UHFFFAOYSA-N 317.429 4.571 70 40 DJIB COC(=O)c1cc(C)c(OCc2cccc3ccccc23)c(C)c1 216725988 LVBNBHGZNFHIGK-UHFFFAOYSA-N 320.388 4.822 70 40 DJIB O=C(/C=C/c1ccccc1)Nc1ccc(OC2CCCC2)cc1 217883365 RMBHDPRAHUNOHW-XNTDXEJSSA-N 307.393 4.660 70 40 DJIB CCCNc1cc([C@@H](C)N(C)C(=O)OC(C)(C)C)ccc1C 218283475 DZKLOFZAWFGPMP-CQSZACIVSA-N 306.450 4.745 70 40 DJIB CC[C@@H](NC(=O)/C=C/c1ccc(C)cc1)c1ccc(C)c(C)c1 218180756 LLGLHDKFTRSJNN-VSFZPWCASA-N 307.437 4.893 70 40 DJIB O=C(C[C@H]1CCCCCN1Cc1ccccc1)c1cccs1 217462804 UNZIUUKCBGJPRM-QGZVFWFLSA-N 313.466 4.766 70 40 DJIB Cc1ccc2oc(C3=CCN(Cc4cccc(F)c4)CC3)nc2c1 216785274 UEEQMNDEEGRELM-UHFFFAOYSA-N 322.383 4.565 70 40 DJIB COc1ccc(Nc2ncnc(Cl)c2-c2ccccc2)cc1 217685319 RCKBPKKQNVRQLU-UHFFFAOYSA-N 311.772 4.549 70 40 DJIB FC(F)(F)c1cccc(Cn2ccc(-c3cccs3)n2)c1 216692325 WZCCVFCHQNLABY-UHFFFAOYSA-N 308.328 4.679 70 40 DJIB CC[C@@H](NC(=O)c1ccccc1Cl)c1ccc(C)cc1C 217847936 DLNYPGIZKUGPOE-QGZVFWFLSA-N 301.817 4.838 70 40 DJIB Cc1ccc(N2CCO[C@@H]2c2ccn(-c3ccc(C)cc3)c2)cc1 216718093 ZXBOITUZHBTSJW-OAQYLSRUSA-N 318.420 4.630 70 40 DJIB CC(C)C(NC(=O)/C(=C/c1ccco1)c1ccccc1)C(C)C 218096444 HONWFBCXCYZMEI-QGOAFFKASA-N 311.425 4.617 70 40 DJIB Clc1ccc(-n2ccc([C@H]3OCCN3c3ccccc3)c2)cc1 216710233 UZWHPJCHFNOAPI-LJQANCHMSA-N 324.811 4.666 70 40 DJIB CC[C@H](NC(=O)/C=C/c1ccc(C)cc1)c1ccc(C)c(C)c1 218180837 LLGLHDKFTRSJNN-RPAADVPWSA-N 307.437 4.893 70 40 DJIB Cc1ccc(-n2ccc([C@H]3OCCN3c3cccc(C)c3)c2)cc1 216715373 SCQDOYZCCYBQHI-OAQYLSRUSA-N 318.420 4.630 70 40 DJIB Clc1ccccc1Cn1ccc(-c2cc3ccccc3o2)n1 216689493 PFIYZUZUHLXJAV-UHFFFAOYSA-N 308.768 4.998 70 40 DJIB Cc1ccc(NC(=O)Nc2ccc3nc(C)c(C)nc3c2)cc1C 217302059 PQULMASNLDFGNL-UHFFFAOYSA-N 320.396 4.507 70 40 DJIB Cc1cccc(N2CCO[C@H]2c2ccn(-c3cccc(C)c3)c2)c1 216715208 JLRPDLSAIPHFGJ-NRFANRHFSA-N 318.420 4.630 70 40 DJIB CC[C@@H](NC(=O)/C=C/c1ccc(OC)cc1)c1ccc(C)cc1C 217920117 FYDLONVENGNNIA-CWUFLNSKSA-N 323.436 4.593 70 40 DJIB Cc1cc(C)c2oc(CCc3nc4cc(C)cc(C)c4o3)nc2c1 216740468 OSRGASDGLLHERT-UHFFFAOYSA-N 320.392 4.988 70 40 DJIB CC[C@H](NC(=O)/C=C/c1ccc(C)cc1)c1ccc(C)cc1C 218181028 LVZFHFSRELXGNR-RPAADVPWSA-N 307.437 4.893 70 40 DJIB Cc1ccc2oc(CCCc3nc4cc(C)ccc4o3)nc2c1 216740936 YVVDODBBVBKHFB-UHFFFAOYSA-N 306.365 4.761 70 40 DJIB CC[C@@H](NC(=O)CCc1ccc(C)cc1)c1ccc(C)c(C)c1 218536037 YLSRFGUVSLBHIA-HXUWFJFHSA-N 309.453 4.812 70 40 DJIB CCCOc1ccc2c(c1)c(C(=O)OCC)c(C)n2CC(C)C 217761217 WGHCMONQIRJNLJ-UHFFFAOYSA-N 317.429 4.571 70 40 DJIB CC[C@@H](NC(=O)CSc1ccccc1)c1ccc(C)c(C)c1 217973434 SSTHQDBHHLQZEB-GOSISDBHSA-N 313.466 4.663 70 40 DJIB Cc1ccc(N2CCO[C@@H]2c2ccn(-c3ccccc3C)c2)cc1 216717812 XYHHTJRMWBMXFG-OAQYLSRUSA-N 318.420 4.630 70 40 DJIB CCCCOc1ccc2c(c1)c(C(=O)OCC)c(C)n2CCC 217766201 YUHGWSNPYXSHFG-UHFFFAOYSA-N 317.429 4.715 70 40 DJIB Cc1nc2ccccc2cc1-c1nnc(-c2ccc(Cl)cc2)o1 216665791 TWQAOFJLLMANDU-UHFFFAOYSA-N 321.767 4.914 70 40 DJIB CC[C@@H](NC(=O)c1cccc(Cl)c1)c1ccc(C)c(C)c1 217853431 MFVYXHSEWCCZCL-QGZVFWFLSA-N 301.817 4.838 70 40 DJIB C[SiH](C)O[Si](C)(C)Oc1cccc(Oc2ccccc2)c1 408722635 VJZVVEAWUMQRTQ-UHFFFAOYSA-N 318.521 4.560 70 40 DJIB CC[C@@H](NC(=O)/C=C/c1ccccc1OC)c1ccc(C)cc1C 217967917 WMJYJKORCFICDV-XSSIKURBSA-N 323.436 4.593 70 40 DJIB CC[C@H](NC(=O)CSc1ccccc1)c1ccc(C)cc1C 217973715 PUCZRSVCNSULHZ-SFHVURJKSA-N 313.466 4.663 70 40 DJIB CCC[C@H](C)Oc1ccc2c(c1)c(C(=O)OCC)c(C)n2CC 217762892 INZSXMLMZOSIOM-ZDUSSCGKSA-N 317.429 4.714 70 40 DJIB Clc1cccc(-n2ccc([C@@H]3OCCN3c3ccccc3)c2)c1 216710076 GXIKLZBLKZBKPZ-IBGZPJMESA-N 324.811 4.666 70 40 DJIB CC(C)c1ccc(CCCNC(=O)c2ccc(Cl)cc2)cc1 217851725 VNLHYGVCDKOHRU-UHFFFAOYSA-N 315.844 4.826 70 40 DJIB CC[C@H](NC(=O)/C=C/c1ccc(OC)cc1)c1ccc(C)c(C)c1 217920012 XSYHSRYJPHPERO-SQSZOCELSA-N 323.436 4.593 70 40 DJIB Cc1ccc(N2CCO[C@H]2c2ccn(-c3ccccc3C)c2)cc1 216717859 XYHHTJRMWBMXFG-NRFANRHFSA-N 318.420 4.630 70 40 DJIB CCC[C@@H](C)Oc1ccc2c(c1)c(C(=O)OCC)c(C)n2CC 217762797 INZSXMLMZOSIOM-CYBMUJFWSA-N 317.429 4.714 70 40 DJIB CC[Si](CC)(CC)O[SiH](C)O[Si](CC)(CC)CC 201117969 LLVYBYXTNXKYKA-UHFFFAOYSA-N 306.671 4.880 70 40 DJIB O=C(C[C@@H]1CCCCCN1Cc1ccccc1)c1cccs1 217462727 UNZIUUKCBGJPRM-KRWDZBQOSA-N 313.466 4.766 70 40 DJIB CC[C@H](NC(=O)c1cccc(Cl)c1)c1ccc(C)cc1C 217853680 CMNQGSFHZPSIDJ-KRWDZBQOSA-N 301.817 4.838 70 40 DJIB CC[C@@H](NC(=O)c1ccc(Cl)cc1)c1ccc(C)c(C)c1 217850796 CBXRJQWMRKMUGB-QGZVFWFLSA-N 301.817 4.838 70 40 DJIB CC[C@H](NC(=O)c1ccccc1Cl)c1ccc(C)c(C)c1 217847819 WAAZFQOQUXFDFB-KRWDZBQOSA-N 301.817 4.838 70 40 DJIB COc1ccccc1Nc1ncnc(Cl)c1-c1ccccc1 217689438 PCCBLHLMLSZJAB-UHFFFAOYSA-N 311.772 4.549 70 40 DJIB CCc1ccccc1-n1ccc([C@@H]2OCCN2c2ccccc2)c1 216711673 DPDAFEHGPQZAIT-NRFANRHFSA-N 318.420 4.575 70 40 DJIB Cc1ccc(/C=C/C(=O)NCCCc2ccc(C(C)C)cc2)cc1 218183357 ASJANOHHPUIQAQ-NTCAYCPXSA-N 321.464 4.881 70 40 DJIB CCc1ccc(-n2ccc([C@H]3OCCN3c3ccccc3)c2)cc1 216711378 FPRYGLWWHSCGMI-OAQYLSRUSA-N 318.420 4.575 70 40 DJIB CCc1ccccc1-n1ccc([C@H]2OCCN2c2ccccc2)c1 216711722 DPDAFEHGPQZAIT-OAQYLSRUSA-N 318.420 4.575 70 40 DJIB CCCN(C(=O)OC(C)(C)C)[C@H](C)c1ccc(C)c(NC)c1 218284936 ZNURBGDRHBBKHD-CQSZACIVSA-N 306.450 4.745 70 40 DJIB O=C(C[C@@H]1CCCCCN1Cc1ccccc1)c1ccccc1 217463481 PQXFLNGLFJVHPA-FQEVSTJZSA-N 307.437 4.704 70 40 DJIB O=C(NCC1(c2ccsc2)CCCC1)c1ccccc1Cl 217480426 HYCVDUMBXSOBJW-UHFFFAOYSA-N 319.857 4.643 70 40 DJIB CC[C@@H](NC(=O)/C=C/c1ccc(F)cc1)c1ccc(C)cc1C 217913988 SMYQFKUYPBELSE-YRVHBARZSA-N 311.400 4.723 70 40 DJIB CC[C@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(C)c(C)c1 218530598 CZDJYXVSHFVRPT-SFHVURJKSA-N 315.844 4.767 70 40 DJIB CC[C@@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(C)cc1C 218530696 ZQPCMGXXUILATD-GOSISDBHSA-N 315.844 4.767 70 40 DJIB CC(C)[B-]1(C(C)C)N=C2SC=CN2C(=O)N1c1ccccc1 217377088 JLMFOVSENALMSU-UHFFFAOYSA-N 314.243 4.765 70 40 DJIB Cc1ccc([C@H](C)NC(=O)[C@@H](C)Sc2ccccc2)cc1C 218060140 QFNAJZXMWQUFOJ-JKSUJKDBSA-N 313.466 4.661 70 40 DJIB COc1cccc(NC(=O)Nc2cccc(Cl)c2Cl)c1 217273210 LXQAFOXCOPXGCQ-UHFFFAOYSA-N 311.168 4.646 70 40 DJIB Clc1ccccc1-n1ccc([C@H]2OCCN2c2ccccc2)c1 216710004 LLGRHOKMYQWAMD-LJQANCHMSA-N 324.811 4.666 70 40 DJIB CC[C@H](NC(=O)/C=C/c1ccccc1OC)c1ccc(C)cc1C 217967984 WMJYJKORCFICDV-BPOBUFBUSA-N 323.436 4.593 70 40 DJIB CC[C@@H](NC(=O)CCc1ccc(C)cc1)c1ccc(C)cc1C 218536212 XWTAGGODLAYAIM-HXUWFJFHSA-N 309.453 4.812 70 40 DJIB Cc1ccc([C@H](C)N(C)C(=O)OC(C)(C)C)cc1NC(C)C 218324362 ACGBXJXODKDNAZ-AWEZNQCLSA-N 306.450 4.743 70 40 DJIB Cc1ccc(N2CCO[C@H]2c2ccn(-c3cccc(C)c3)c2)cc1 216717981 SONXMRCXRRSBHV-NRFANRHFSA-N 318.420 4.630 70 40 DJIB Cc1cc2nc(CCc3nc4cc(C)c(C)cc4o3)oc2cc1C 216740410 IPDUDPPMGQZMBK-UHFFFAOYSA-N 320.392 4.988 70 40 DJIB CC(C)(C)SCCNC(=O)/C=C/c1ccc(C(C)(C)C)cc1 217949832 LVFKELKXPROLKP-FMIVXFBMSA-N 319.514 4.645 70 40 DJIB Cc1ccc([C@@H](C)NC(=O)[C@H](C)Sc2ccccc2)cc1C 218060221 QFNAJZXMWQUFOJ-CVEARBPZSA-N 313.466 4.661 70 40 DJIB CCc1ccc(N2CCO[C@H]2c2ccn(-c3ccccc3)c2)cc1 216728598 QSFZFYRWSWYHCM-NRFANRHFSA-N 318.420 4.575 70 40 DJIB CC[C@H](NC(=O)/C=C/c1ccc(F)cc1)c1ccc(C)cc1C 217914083 SMYQFKUYPBELSE-BEBFYNPSSA-N 311.400 4.723 70 40 DJIB Clc1ccc(Cn2ccc(-c3cc4ccccc4o3)n2)cc1 216689622 KHCSHOWEOPYWJU-UHFFFAOYSA-N 308.768 4.998 70 40 DJIB CC[C@@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(C)c(C)c1 218530528 CZDJYXVSHFVRPT-GOSISDBHSA-N 315.844 4.767 70 40 DJIB Cc1ccc([C@@H](C)NC(=O)CCSc2ccccc2)cc1C 218082508 KNOLTUYYPNZZBI-MRXNPFEDSA-N 313.466 4.663 70 40 DJIB Cc1ccc([C@@H](C)N(C)C(=O)OC(C)(C)C)cc1NC(C)C 218324265 ACGBXJXODKDNAZ-CQSZACIVSA-N 306.450 4.743 70 40 DJIB Cc1[nH]c2ccccc2c(=O)c1CNc1cccc2ccccc12 217427703 CYTUPZXONUZPGS-UHFFFAOYSA-N 314.388 4.602 70 40 DJIB Clc1ccccc1-n1ccc([C@@H]2OCCN2c2ccccc2)c1 216709958 LLGRHOKMYQWAMD-IBGZPJMESA-N 324.811 4.666 70 40 DJIB Cc1ccc([C@H](C)NC(=O)[C@H](C)Sc2ccccc2)cc1C 218060307 QFNAJZXMWQUFOJ-HOTGVXAUSA-N 313.466 4.661 70 40 DJIB CC[C@H](NC(=O)CCc1ccc(C)cc1)c1ccc(C)c(C)c1 218536119 YLSRFGUVSLBHIA-FQEVSTJZSA-N 309.453 4.812 70 40 DJIB CC[C@H](NC(=O)/C=C/c1ccc(F)cc1)c1ccc(C)c(C)c1 217913888 BVPZVRCDSWOJAL-BEBFYNPSSA-N 311.400 4.723 70 40 DJIB Nc1cccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)c1 217883593 MDVDKXANYPVOLY-UHFFFAOYSA-N 313.360 4.653 70 40 DJIB CCCCn1c(C)c(C(=O)OCC)c2cc(OC(C)C)ccc21 217761954 DHSVLZBJLDPNBQ-UHFFFAOYSA-N 317.429 4.714 70 40 DJIB Cc1ccc(-n2ccc([C@@H]3OCCN3c3cccc(C)c3)c2)cc1 216715332 SCQDOYZCCYBQHI-NRFANRHFSA-N 318.420 4.630 70 40 DJIB O=C(c1c[nH]c2ccccc12)N1CCCC[C@@H](c2ccccc2)C1 217287789 XZWVFRRRPOSQAQ-QGZVFWFLSA-N 318.420 4.578 70 40 DJIB CC[C@@H](NC(=O)CSc1ccccc1)c1ccc(C)cc1C 217973628 PUCZRSVCNSULHZ-GOSISDBHSA-N 313.466 4.663 70 40 DJIB CCNc1cc([C@@H](C)N(CC)C(=O)OC(C)(C)C)ccc1C 218284198 LXAXFTCAQRPJKX-CQSZACIVSA-N 306.450 4.745 70 40 DJIB CC[C@H](NC(=O)c1cccc(Cl)c1)c1ccc(C)c(C)c1 217853498 MFVYXHSEWCCZCL-KRWDZBQOSA-N 301.817 4.838 70 40 DJIB O=C(C[C@H]1CCCCCN1Cc1ccccc1)c1ccccc1 217463557 PQXFLNGLFJVHPA-HXUWFJFHSA-N 307.437 4.704 70 40 DJIB Cc1ccccc1NC(=O)N1CCCC[C@@H](c2ccccc2)C1 217288230 PZRDFAAZOGIZLQ-GOSISDBHSA-N 308.425 4.797 70 40 DJIB CCCN(C(=O)OC(C)(C)C)[C@@H](C)c1ccc(C)c(NC)c1 218284896 ZNURBGDRHBBKHD-AWEZNQCLSA-N 306.450 4.745 70 40 DJIB CC[C@H](NC(=O)/C=C/c1ccc(OC)cc1)c1ccc(C)cc1C 217920195 FYDLONVENGNNIA-SQSZOCELSA-N 323.436 4.593 70 40 DJIB COc1cccc2cc(C(=O)N[C@H](C)c3ccc(C)c(C)c3)oc12 218617694 UZFJWNDPUXMCLT-CQSZACIVSA-N 323.392 4.549 70 40 DJIB Cc1ccccc1NC(=O)N1CCCC[C@H](c2ccccc2)C1 217288228 PZRDFAAZOGIZLQ-SFHVURJKSA-N 308.425 4.797 70 40 DJIB Cc1ccc(CCC(=O)Nc2ccc(OC3CCCC3)cc2)cc1 218533912 ZUGSQVQYQNGTMA-UHFFFAOYSA-N 323.436 4.888 70 40 DJIB CC(C)(C)OC(=O)N1CCCCC[C@H]1CC(=O)c1cccs1 217462632 UMPAKIRJTKDBBV-ZDUSSCGKSA-N 323.458 4.501 70 40 DJIB CCc1ccc(-n2ccc([C@@H]3OCCN3c3ccccc3)c2)cc1 216711333 FPRYGLWWHSCGMI-NRFANRHFSA-N 318.420 4.575 70 40 DJIB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Sc2ccccc2)cc1C 218060071 QFNAJZXMWQUFOJ-HZPDHXFCSA-N 313.466 4.661 70 40 DJIB CC[C@@H](NC(=O)/C=C/c1ccc(C)cc1)c1ccc(C)cc1C 218180943 LVZFHFSRELXGNR-VSFZPWCASA-N 307.437 4.893 70 40 DJIB C[Si](F)(c1cccc2ccccc12)c1cccc2ccccc12 195768638 MNPHVSDPOABTGO-UHFFFAOYSA-N 316.451 4.652 70 40 DJIB C[C@]12C[C@@H]3C[C@H](C1)C[C@@](NC(=O)SCc1ccccc1)(C3)C2 217652741 NMLBPNCMQMHNKY-YOQCTACHSA-N 315.482 4.988 70 40 DJIB Clc1cccc(-n2ccc([C@H]3OCCN3c3ccccc3)c2)c1 216710117 GXIKLZBLKZBKPZ-LJQANCHMSA-N 324.811 4.666 70 40 DJIB Cc1ccc(S(F)(F)(F)(F)F)cc1S(=O)(=O)Cl 103625925 SDZFUKOTFLQLCI-UHFFFAOYSA-N 316.700 4.580 70 40 DJIB C=C(C[Si](Cl)(Cl)Cl)C[Si](Cl)(Cl)Cl 195751536 LQEUNVMRBBCABI-UHFFFAOYSA-N 322.982 4.853 70 40 DJIB CC[C@@H](NC(=O)Nc1ccccc1)c1ccc2c(c1)CCCC2 217305926 HVBLZJRNDKGPTF-LJQANCHMSA-N 308.425 4.838 70 40 DJIB Clc1cccc(Cn2ccc(-c3cc4ccccc4o3)n2)c1 216689554 ZHDWRLLOXWLTPK-UHFFFAOYSA-N 308.768 4.998 70 40 DJIB O=C(NCC1(c2ccsc2)CCCC1)Nc1ccccc1F 217486331 VYVXNRDTUJXGCB-UHFFFAOYSA-N 318.417 4.521 70 40 DJIB CC[C@@H](NC(=O)c1ccccc1Cl)c1ccc(C)c(C)c1 217847746 WAAZFQOQUXFDFB-QGZVFWFLSA-N 301.817 4.838 70 40 DJIB CC[C@H](NC(=O)c1ccc(Cl)cc1)c1ccc(C)cc1C 217851033 QCHSQJMGAPMHND-KRWDZBQOSA-N 301.817 4.838 70 40 DJIB CC[C@@H](NC(=O)c1ccccc1SC)c1ccc(C)cc1C 218193780 GHEUYTZAKIXSKK-QGZVFWFLSA-N 313.466 4.906 70 40 DJIB O=S(=O)(Cl)c1ccc2ccc3cccc4ccc1c2c34 95696895 YTFLOMYZTLUWHX-UHFFFAOYSA-N 300.766 4.512 70 40 DJIB Cc1cccc(N2CCO[C@@H]2c2ccn(-c3cccc(C)c3)c2)c1 216715255 JLRPDLSAIPHFGJ-OAQYLSRUSA-N 318.420 4.630 70 40 DJIB CC(C)c1ccc(CCCNC(=O)c2ccccc2Cl)cc1 217848943 UTIGTQSWJBUBRN-UHFFFAOYSA-N 315.844 4.826 70 40 DJIB CC[C@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(C)cc1C 218530787 ZQPCMGXXUILATD-SFHVURJKSA-N 315.844 4.767 70 40 DJIB CC[C@@H](NC(=O)NC1CCCCC1)c1ccc2c(c1)CCCC2 217271465 SESNTDZBLIOVKQ-LJQANCHMSA-N 314.473 4.648 70 40 DJIB CCc1ccc2oc(CCc3nc4cc(CC)ccc4o3)nc2c1 216740281 YKHLNKDBDVPQJV-UHFFFAOYSA-N 320.392 4.879 70 40 DJIB CC[C@H](NC(=O)CCc1ccc(C)cc1)c1ccc(C)cc1C 218536287 XWTAGGODLAYAIM-FQEVSTJZSA-N 309.453 4.812 70 40 DJIB CCNc1cc([C@H](C)N(CC)C(=O)OC(C)(C)C)ccc1C 218284259 LXAXFTCAQRPJKX-AWEZNQCLSA-N 306.450 4.745 70 40 DJIB Cc1ccc2oc(C3=CCN(Cc4ccc(F)cc4)CC3)nc2c1 216784778 GDMLUWMQVDIYOW-UHFFFAOYSA-N 322.383 4.565 70 40 DJIB CC[C@H](NC(=O)NC1CCCCC1)c1ccc2c(c1)CCCC2 217271467 SESNTDZBLIOVKQ-IBGZPJMESA-N 314.473 4.648 70 40 DJIB Cc1ccc([C@H](C)NC(=O)CCSc2ccccc2)cc1C 218082585 KNOLTUYYPNZZBI-INIZCTEOSA-N 313.466 4.663 70 40 DJIB Cl[Si](Cl)(Cl)CCC[Si](Cl)(Cl)Cl 195945844 MLDKTCCADNRZEK-UHFFFAOYSA-N 310.971 4.687 70 40 DJIB CC[C@@H](NC(=O)/C=C/c1ccc(F)cc1)c1ccc(C)c(C)c1 217913784 BVPZVRCDSWOJAL-YRVHBARZSA-N 311.400 4.723 70 40 DJIB CCc1ccc(N2CCO[C@@H]2c2ccn(-c3ccccc3)c2)cc1 216728558 QSFZFYRWSWYHCM-OAQYLSRUSA-N 318.420 4.575 70 40 DJIB Cc1ccc(CCC(=O)NCCCc2ccc(C(C)C)cc2)cc1 218537518 LSJIMMGIBGHHQL-UHFFFAOYSA-N 323.480 4.800 70 40 DJIB Cc1ccc(N2CCO[C@H]2c2ccn(-c3ccc(C)cc3)c2)cc1 216718049 ZXBOITUZHBTSJW-NRFANRHFSA-N 318.420 4.630 70 40 DJIB O=C(NCCC1=CCCCC1)/C(=C/c1ccco1)c1ccccc1 218099334 AVNZUKJLIFYPII-CAPFRKAQSA-N 321.420 4.827 70 40 DJIB COc1cccc(Nc2ncnc(Cl)c2-c2ccccc2)c1 217687426 WPUCSAJMJOPFAE-UHFFFAOYSA-N 311.772 4.549 70 40 DJIB Cc1cccc(N2CCO[C@@H]2c2ccn(-c3ccccc3C)c2)c1 216715094 VFEYNGMLJWDGHB-OAQYLSRUSA-N 318.420 4.630 70 40 DJIB F[B-](F)(F)Nc1ccc(-c2ccc(N[B-](F)(F)F)cc2)cc1 195782506 YXTMHEAUNHVZLG-UHFFFAOYSA-N 317.838 4.866 70 40 DJIB Cc1ccc(N2CCO[C@@H]2c2ccn(-c3cccc(C)c3)c2)cc1 216717931 SONXMRCXRRSBHV-OAQYLSRUSA-N 318.420 4.630 70 40 DJIB CC[C@@H](NC(=O)/C=C/c1ccc(OC)cc1)c1ccc(C)c(C)c1 217919939 XSYHSRYJPHPERO-CWUFLNSKSA-N 323.436 4.593 70 40 DJIB Cc1ccc2oc(C3=CCN(Cc4ccccc4F)CC3)nc2c1 216784169 ARPSTTZTERJNMQ-UHFFFAOYSA-N 322.383 4.565 70 40 DJIB CC[C@H](NC(=O)CSc1ccccc1)c1ccc(C)c(C)c1 217973509 SSTHQDBHHLQZEB-SFHVURJKSA-N 313.466 4.663 70 40 DJIB CC(C)c1ccc(CCCNC(=O)/C=C/c2ccccc2)cc1 217886495 XZQIEMCUJXZHNJ-NTCAYCPXSA-N 307.437 4.572 70 40 DJIB CC[C@@H](NC(=O)c1cccc(Cl)c1)c1ccc(C)cc1C 217853606 CMNQGSFHZPSIDJ-QGZVFWFLSA-N 301.817 4.838 70 40 DJIB CC(C)(C)OC(=O)N1CCCCC[C@@H]1CC(=O)c1cccs1 217462546 UMPAKIRJTKDBBV-CYBMUJFWSA-N 323.458 4.501 70 40 DJIB CC(C)c1ccc(CCCNC(=S)Nc2ccccc2)cc1 217938170 PWGWUKVFTYLSFI-UHFFFAOYSA-N 312.482 4.729 70 40 DJIB Cc1ccc(/C=C/C(=O)Nc2ccc(OC3CCCC3)cc2)cc1 218178651 KVANIOIAXSSHAZ-XNTDXEJSSA-N 321.420 4.968 70 40 DJIB CC[C@H](NC(=O)c1ccc(Cl)cc1)c1ccc(C)c(C)c1 217850865 CBXRJQWMRKMUGB-KRWDZBQOSA-N 301.817 4.838 70 40 DJIB Clc1ccc(-n2ccc([C@@H]3OCCN3c3ccccc3)c2)cc1 216710189 UZWHPJCHFNOAPI-IBGZPJMESA-N 324.811 4.666 70 40 DJIB O=C(c1c[nH]c2ccccc12)N1CCCC[C@H](c2ccccc2)C1 217287791 XZWVFRRRPOSQAQ-KRWDZBQOSA-N 318.420 4.578 70 40 DJIB CC[C@H](NC(=O)Nc1ccccc1)c1ccc2c(c1)CCCC2 217305927 HVBLZJRNDKGPTF-IBGZPJMESA-N 308.425 4.838 70 40 DJIB CC[C@H](NC(=O)c1ccccc1Cl)c1ccc(C)cc1C 217848016 DLNYPGIZKUGPOE-KRWDZBQOSA-N 301.817 4.838 70 40 DJIB Cc1cccc(N2CCO[C@H]2c2ccn(-c3ccccc3C)c2)c1 216715143 VFEYNGMLJWDGHB-NRFANRHFSA-N 318.420 4.630 70 40 DJIB CC[C@@H](NC(=O)/C=C/c1ccccc1OC)c1ccc(C)c(C)c1 217967724 VDCOELWJJFGCGO-JXOMPUQVSA-N 323.436 4.593 70 40 DJIB Cc1ccccc1-c1nnc(-c2cc3ccccc3nc2C)o1 216665856 KRTUVRIRFWTUNF-UHFFFAOYSA-N 301.349 4.569 70 40 DJIB CC[C@H](NC(=O)c1ccccc1SC)c1ccc(C)c(C)c1 218193692 ZPCHWMRBYXDLQT-KRWDZBQOSA-N 313.466 4.906 70 40 DJIB COc1cccc2cc(C(=O)N[C@@H](C)c3ccc(C)c(C)c3)oc12 218617610 UZFJWNDPUXMCLT-AWEZNQCLSA-N 323.392 4.549 70 40 DJIB CC[C@@H](NC(=O)c1ccccc1SC)c1ccc(C)c(C)c1 218193622 ZPCHWMRBYXDLQT-QGZVFWFLSA-N 313.466 4.906 70 40 DJIB CCCCn1c(C)c(C(=O)OCC)c2cc(OCCC)ccc21 217761027 LKFTZIMDQUVNSH-UHFFFAOYSA-N 317.429 4.715 70 40 DJIB CCOC(=O)c1c(C)n(CC(C)C)c2ccc(OC(C)C)cc12 217762199 WHODBPDPFPBVTE-UHFFFAOYSA-N 317.429 4.570 70 40 DJIB CC[C@@H](NC(=O)c1ccc(Cl)cc1)c1ccc(C)cc1C 217850968 QCHSQJMGAPMHND-QGZVFWFLSA-N 301.817 4.838 70 40 DJIB Cc1nc2ccccc2cc1-c1nnc(-c2cccc(Cl)c2)o1 216665718 MNIJIIBPFKBRNK-UHFFFAOYSA-N 321.767 4.914 70 40 DJIB