0 B28R3.102118486 COc1cc(ccc1OCc2ccc(cc2)Cl)c3ccc(cc3)C(=O)O 9672837b731dc52bf7a32c84d91656dd [0,0,0,0,0,0|4,0,0]=4 1 B27R3.1127624 C=C(C)c1ccc(nc1)c2ccc(c(c2)C#N)OCc3ccccc3 ca903fe668b458541706ed67f444c3f1 [1,0,0,0,0,0|3,0,0]=4 2 B27R3.1127624 CC(=O)c1ccc(cc1)c2ccc(c(c2)C#N)OCc3ccccc3 ed8440ebdb95f9ab960ef3b964a71940 [1,0,0,0,0,0|3,0,0]=4 3 B27R3.1127624 CC(=O)c1ccc(nc1)c2ccc(c(c2)C#N)OCc3ccccc3 5563dd5d2bf6b119f8c131dba8239751 [1,0,0,0,0,0|2,0,0]=3 4 B27R3.1127624 CC(=O)c1ccc(nn1)c2ccc(c(c2)C#N)OCc3ccccc3 441e1c963ac2d8a265208b15f3d20207 [1,0,0,0,0,0|3,0,0]=4 5 B27R3.1127624 CC(=O)c1cnc(cn1)c2ccc(c(c2)C#N)OCc3ccccc3 10e5046b6ab9a770fd21a79af26ca67c [1,0,0,0,0,0|3,0,0]=4 6 B27R3.1127624 CC(=O)c1cnc(nc1)c2ccc(c(c2)C#N)OCc3ccccc3 0c8848562d4dd46863b1c069cab398d0 [1,0,0,0,0,0|1,0,0]=2 7 B27R3.1127624 CC(=O)c1cnc(nc1)c2ccc(c(c2)C=O)OCc3ccccc3 46ee80f619c68c5c6bb587c33f0d66e6 [1,0,0,0,0,0|2,0,1]=4 8 B27R3.1127624 CC(=O)c1cnc(nc1)c2ccc(c(c2)CO)OCc3ccccc3 d9b46571ce07f59c68a892a2a81da945 [1,0,0,0,0,0|2,0,1]=4 9 B27R3.1127624 CC(C)c1cnc(nc1)c2ccc(c(c2)C#N)OCc3ccccc3 7606a239240199d154a77a38768470f3 [1,0,0,0,0,0|2,0,1]=4 10 B27R3.1127624 CC(O)c1ccc(nc1)c2ccc(c(c2)C#N)OCc3ccccc3 5c970ddb946e7e21b52437686b100e39 [1,0,0,0,0,0|2,0,1]=4 11 B27R3.1127624 CC(O)c1cnc(nc1)c2ccc(c(c2)C#N)OCc3ccccc3 c668f300ce77e958d9ce99b63d3ce309 [1,0,0,0,0,0|1,0,1]=3 12 B27R3.1127624 CCc1cc(ccc1OCc2ccccc2)c3ccc(cn3)C(=O)O 4173b0188bc23b96ec9f51429510fae5 [1,0,0,0,0,0|2,0,1]=4 13 B27R3.1127624 CCc1cc(ccc1OCc2ccccc2)c3ncc(cn3)C(=O)C 43d4b0675f7d46d96c81743186f5ee9a [1,0,0,0,0,0|2,0,1]=4 14 B27R3.1127624 CCc1cc(ccc1OCc2ccccc2)c3ncc(cn3)C(=O)O 5e7a534aa5e5a6e5851912317a9d679b [1,0,0,0,0,0|1,0,1]=3 15 B27R3.1127624 CN(C)c1cnc(nc1)c2ccc(c(c2)C#N)OCc3ccccc3 595499f33afedc878aaebaae573a9c63 [1,0,0,0,0,0|3,0,0]=4 16 B27R3.1127624 COc1cc(ccc1OCc2ccccc2)c3ccc(cn3)C(=O)O 723a6e4b20bf7e9ff719b869578dd2ec [1,0,0,0,0,0|3,0,0]=4 17 B27R3.1127624 COc1cc(ccc1OCc2ccccc2)c3ncc(cn3)C(=O)C b45c4912862e04a3cb33d8dd4214f3be [1,0,0,0,0,0|3,0,0]=4 18 B27R3.1127624 COc1cc(ccc1OCc2ccccc2)c3ncc(cn3)C(=O)O 0fee86d384ce8be975f70954141a16af [1,0,0,0,0,0|2,0,0]=3 19 B27R3.1127624 CS(=O)c1ccc(nc1)c2ccc(c(c2)C#N)OCc3ccccc3 b2f5fac1250604e865909e5d958f24d9 [1,0,0,0,0,0|3,0,0]=4 20 B27R3.1127624 C[C@@H](N)c1cnc(nc1)c2ccc(c(c2)C#N)OCc3ccccc3 e0d7a78522348c210855edb0b509678e [1,0,0,0,0,0|2,0,1]=4 21 B27R3.1127624 C[C@@H](O)c1ccc(nc1)c2ccc(c(c2)C#N)OCc3ccccc3 eaf43c0033b9ec36b11e33ec269a6d66 [1,0,0,0,0,0|2,0,1]=4 22 B27R3.1127624 C[C@H](O)c1ccc(nc1)c2ccc(c(c2)C#N)OCc3ccccc3 3e847a1f925aab3ce84fe58602154974 [1,0,0,0,0,0|2,0,1]=4 23 B27R3.1127624 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(cc3)C(=O)F 13653e571d20e2994e66a6252fc943c9 [1,0,0,0,0,0|3,0,0]=4 24 B27R3.1127624 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(cc3)C(=O)N 1d422e520b204822071a19520272465a [1,0,0,0,0,0|3,0,0]=4 25 B27R3.1127624 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(cc3)C(=O)O 7a06aa19066da6fd4dc43c71e75409c5 [1,0,0,0,0,0|2,0,0]=3 26 B27R3.1127624 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(cc3)S(=O)O f4af53e3092e94cb199b1422300e08de [1,0,0,0,0,0|3,0,0]=4 27 B27R3.1127624 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(cn3)C(=O)N 6e38e29cbf9da4687d8500b3090faf7e [1,0,0,0,0,0|2,0,0]=3 28 B27R3.1127624 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(cn3)C(=O)O 485d7829434aa98140104c1f90ba1c7a [1,0,0,0,0,0|1,0,0]=2 29 B27R3.1127624 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(cn3)C(=S)N ddab9bd7988a489acf5f74c7e4c91d65 [1,0,0,0,0,0|2,1,0]=4 30 B27R3.1127624 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(cn3)[N+](=O)[O-] aef2ced60c75b1566c7d5439576baa24 [1,0,0,0,0,0|2,0,1]=4 31 B27R3.1127624 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(nc3)C(=O)O 543efa42cb1c48e0582787b55768cbbe [1,0,0,0,0,0|3,0,0]=4 32 B27R3.1127624 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(nn3)C(=O)N 9c22cd94f1da815de7ad13c3d4046e1d [1,0,0,0,0,0|3,0,0]=4 33 B27R3.1127624 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(nn3)C(=O)O dda6bc88ce3cb53ec8a6144c0f9035b1 [1,0,0,0,0,0|2,0,0]=3 34 B27R3.1127624 N#Cc1cc(ccc1OCc2ccccc2)c3cnc(cn3)C(=O)N 3b280fc451490f5fcc40893042fadbb8 [1,0,0,0,0,0|3,0,0]=4 35 B27R3.1127624 N#Cc1cc(ccc1OCc2ccccc2)c3cnc(cn3)C(=O)O 904131071d998268f56eaf091cc8ae0f [1,0,0,0,0,0|2,0,0]=3 36 B27R3.1127624 N#Cc1cc(ccc1OCc2ccccc2)c3ncc(cn3)C(=O)N 6e8211e680defa945dc9b6bb84596c00 [1,0,0,0,0,0|1,0,0]=2 37 B27R3.1127624 N#Cc1cc(ccc1OCc2ccccc2)c3ncc(cn3)C(=O)O 535f7177cbd32f8b7da9aea7c1952bc9 [1,0,0,0,0,0|0,0,0]=1 38 B27R3.1127624 N#Cc1cc(ccc1OCc2ccccc2)c3ncc(cn3)C(F)F 6a99fa6d846cff92d0f872cdfeca3a11 [1,0,0,0,0,0|2,0,1]=4 39 B27R3.1127624 N#Cc1cc(ccc1OCc2ccccc2)c3ncc(cn3)[N+](=O)[O-] 460cbe77d8c2a7ba9f07e21084e12522 [1,0,0,0,0,0|1,0,1]=3 40 B27R3.1127624 N#Cc1cc(ccc1SCc2ccccc2)c3ccc(cc3)C(=O)O 5982e4859b78d025f010b410979eeb53 [1,0,0,0,0,0|2,1,0]=4 41 B27R3.1127624 NC(=O)c1cnc(nc1)c2ccc(c(c2)C=O)OCc3ccccc3 2822025b51ea40a1b1482d5efa2f3164 [1,0,0,0,0,0|2,0,1]=4 42 B27R3.1127624 O=C(O)c1ccc(nc1)c2ccc(c(c2)CO)OCc3ccccc3 3700549d73ae1c26d2d39a226c1d506b [1,0,0,0,0,0|2,0,1]=4 43 B27R3.1127624 O=C(O)c1cnc(nc1)c2ccc(c(c2)CO)OCc3ccccc3 ae3538af619c33d9218ef5ecf05637d3 [1,0,0,0,0,0|1,0,1]=3 44 B27R3.1127624 O=Cc1cc(ccc1OCc2ccccc2)c3ccc(cn3)C(=O)O 2f2cb4c7f632a273f95dc54189bf4713 [1,0,0,0,0,0|2,0,1]=4 45 B27R3.1127624 O=Cc1cc(ccc1OCc2ccccc2)c3ncc(cn3)C(=O)O 1e0784463b40da434f0bc3cac9952254 [1,0,0,0,0,0|1,0,1]=3 46 B27R3.6409920 CC(=O)c1cnc(nc1)c2ccc(c(c2)Cl)OCc3ccc(cc3)F ddc7ed53c6d898aef3fb3bcaae4384d7 [1,0,0,0,0,0|2,1,0]=4 47 B27R3.6409920 NC(=O)c1cnc(nc1)c2ccc(c(c2)Cl)OCc3ccc(cc3)F 48125f9e936400feb4b192359e6d05c1 [1,0,0,0,0,0|2,1,0]=4 48 B27R3.6409920 O=C(O)c1ccc(cc1)c2ccc(c(c2)F)OCc3ccc(cc3)Cl 15a90363380c542cbd881b74f25c7c42 [1,0,0,0,0,0|3,0,0]=4 49 B27R3.6409920 O=C(O)c1ccc(nc1)c2ccc(c(c2)Cl)OCc3ccc(cc3)F f21dc56c6854261ed36ce033355b9cff [1,0,0,0,0,0|2,1,0]=4 50 B27R3.6409920 O=C(O)c1cnc(nc1)c2ccc(c(c2)Cl)OCc3ccc(cc3)F 7587383b028ba7137cecea815e1caba7 [1,0,0,0,0,0|1,1,0]=3 51 B29R3.4242243 COc1ccc(cc1)COc2ccc(cc2C#N)c3ccc(cc3)C(=O)O 237f2550003eb56a076248361324fa7d [0,1,0,0,0,0|3,0,0]=4 52 B29R3.162381811 Cc1ccc(cc1)COc2ccc(cc2C=O)Nc3ncc(cn3)C(=O)O c7b3b4ad4ddae61e878d57d52fba05d0 [0,0,0,0,0,1|2,0,1]=4 53 B29R3.162381811 O=Cc1cc(ccc1OCc2ccc(cc2)F)Nc3ncc(cn3)C(=O)O f6a07c8da27865f8a9f09af06406730d [0,0,0,0,0,1|1,1,1]=4 54 B26R3.45143 C=Cc1ccc(nc1)c2ccc(c(c2)C#N)OCc3ccccc3 db5c7eaaa174544335dbfe0bd7012489 [2,0,0,0,0,0|2,0,0]=4 55 B26R3.45143 C=Cc1cnc(nc1)c2ccc(c(c2)C#N)OCc3ccccc3 d12759d63d343911ca1bbb3b8c407942 [2,0,0,0,0,0|1,0,0]=3 56 B26R3.45143 CCc1cc(ccc1OCc2ccccc2)c3ncc(cn3)C=O 345e559164afe4fc242878f6b797d55a [2,0,0,0,0,0|1,0,1]=4 57 B26R3.45143 CCc1cnc(nc1)c2ccc(c(c2)C#N)OCc3ccccc3 63c517b65230ad980caf0d4309f43091 [2,0,0,0,0,0|1,0,1]=4 58 B26R3.45143 COc1cc(ccc1OCc2ccccc2)c3ncc(cn3)C=O 20e52a3be35fef3fd2f12269aeaa9647 [2,0,0,0,0,0|2,0,0]=4 59 B26R3.45143 COc1cnc(nc1)c2ccc(c(c2)C#N)OCc3ccccc3 a8fad4bb9f3fdc35e2e97a3ee17eea87 [2,0,0,0,0,0|2,0,0]=4 60 B26R3.45143 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(cc3)C=O cb05c06dee9f94697163725c841818b6 [2,0,0,0,0,0|2,0,0]=4 61 B26R3.45143 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(cn3)C=O 7ff1eee65ecce21256adf632d409d03e [2,0,0,0,0,0|1,0,0]=3 62 B26R3.45143 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(cn3)CO 9588447e286f07d3dbb0d43af714d348 [2,0,0,0,0,0|1,0,1]=4 63 B26R3.45143 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(nn3)C=O 888d458814f893ea2e2e52366e95eb1a [2,0,0,0,0,0|2,0,0]=4 64 B26R3.45143 N#Cc1cc(ccc1OCc2ccccc2)c3cnc(cn3)C=O f6e819fffbbca36b7a2fe5a3bb5bd59e [2,0,0,0,0,0|2,0,0]=4 65 B26R3.45143 N#Cc1cc(ccc1OCc2ccccc2)c3ncc(cn3)C=O 5b903888a8092d32b959d0ee788d5aea [2,0,0,0,0,0|0,0,0]=2 66 B26R3.45143 N#Cc1cc(ccc1OCc2ccccc2)c3ncc(cn3)CBr 47ba02dbf4005fb7cf7d55bba576043a [2,0,0,0,0,0|1,0,1]=4 67 B26R3.45143 N#Cc1cc(ccc1OCc2ccccc2)c3ncc(cn3)CCl 6268070d3ee324fcdc28eb4275ca1922 [2,0,0,0,0,0|1,0,1]=4 68 B26R3.45143 N#Cc1cc(ccc1OCc2ccccc2)c3ncc(cn3)CN 379a18d985785037c95707c3e222dfba [2,0,0,0,0,0|1,0,1]=4 69 B26R3.45143 N#Cc1cc(ccc1OCc2ccccc2)c3ncc(cn3)CO 47d696ac83f4098295930b8345a4c7a4 [2,0,0,0,0,0|0,0,1]=3 70 B26R3.45143 N#Cc1cc(ccc1SCc2ccccc2)c3ccc(cn3)C=O 1d5ef6e64fa763414a9155133f82b37c [2,0,0,0,0,0|1,1,0]=4 71 B26R3.45143 N#Cc1cnc(nc1)c2ccc(c(c2)C#N)OCc3ccccc3 1fce92236ff15930254514fc06d9285b [2,0,0,0,0,0|1,0,1]=4 72 B26R3.45143 O=Cc1cnc(nc1)c2ccc(c(c2)C=O)OCc3ccccc3 ee84dae0bbdb3af84c347f30a35a99b3 [2,0,0,0,0,0|1,0,1]=4 73 B26R3.45143 O=Cc1cnc(nc1)c2ccc(c(c2)CO)OCc3ccccc3 69e169d9d5ce761faa74f58b222d8968 [2,0,0,0,0,0|1,0,1]=4 74 B26R3.45163 O=Cc1cnc(nc1)c2ccc(c(c2)Cl)OCc3ccc(cc3)F 863bb26bb9e5b008883942ab1d99fbd1 [2,0,0,0,0,0|1,1,0]=4 75 B26R3.4107506 CC(=O)c1cnc(nc1)c2ccc(c(c2)C)OCc3ccccc3 6d39d97e3aa546fc89275a45f365a460 [2,0,0,0,0,0|1,0,1]=4 76 B26R3.4107506 CC(=O)c1cnc(nc1)c2ccc(c(c2)Cl)OCc3ccccc3 b348eb038864f00dc379e77e62385b26 [2,0,0,0,0,0|2,0,0]=4 77 B26R3.4107506 CC(=O)c1cnc(nc1)c2ccc(c(c2)F)OCc3ccccc3 e7ee23d1e40118ec3198a3853918d30e [2,0,0,0,0,0|2,0,0]=4 78 B26R3.4107506 Cc1cc(ccc1OCc2ccccc2)c3ccc(cn3)C(=O)O 778c961558865058492e564871b5a1c5 [2,0,0,0,0,0|1,0,1]=4 79 B26R3.4107506 Cc1cc(ccc1OCc2ccccc2)c3ncc(cn3)C(=O)O 8b5f0cf4b362b7bb911fa25d9284250c [2,0,0,0,0,0|0,0,1]=3 80 B26R3.4107506 Cc1cc(cnc1OCc2ccccc2)c3ncc(cn3)C(=O)O e8c14ff63ec4a21f5a17b5fd3f6021c1 [2,0,0,0,0,0|1,0,1]=4 81 B26R3.4107506 NC(=O)c1cnc(nc1)c2ccc(c(c2)Cl)OCc3ccccc3 ba4c01714ecc6cede592e653b64a575d [2,0,0,0,0,0|2,0,0]=4 82 B26R3.4107506 NC(=O)c1cnc(nc1)c2ccc(c(c2)F)OCc3ccccc3 1641e30a66834bc7db0cf133165d2ca0 [2,0,0,0,0,0|2,0,0]=4 83 B26R3.4107506 O=C(O)c1ccc(nc1)c2ccc(c(c2)Cl)OCc3ccccc3 798c897ab5b3522eada9fddfb426702d [2,0,0,0,0,0|2,0,0]=4 84 B26R3.4107506 O=C(O)c1ccc(nc1)c2ccc(c(c2)F)OCc3ccccc3 7f6608ef14edab41585234ee14894d20 [2,0,0,0,0,0|2,0,0]=4 85 B26R3.4107506 O=C(O)c1cnc(nc1)c2ccc(c(c2)Cl)OCc3ccccc3 3c162987bea4df900f416a5374e70c17 [2,0,0,0,0,0|1,0,0]=3 86 B26R3.4107506 O=C(O)c1cnc(nc1)c2ccc(c(c2)F)OCc3ccccc3 f9f7700b4dd47712a2f667fdb3499e9f [2,0,0,0,0,0|1,0,0]=3 87 B26R3.4107506 O=C(O)c1cnc(nc1)c2cnc(c(c2)Cl)OCc3ccccc3 eef14d9478f35ca8259202534a8cf54e [2,0,0,0,0,0|2,0,0]=4 88 B26R3.4107506 O=C(O)c1cnc(nc1)c2cnc(c(c2)F)OCc3ccccc3 b675d297305b297a9c159835a58be835 [2,0,0,0,0,0|2,0,0]=4 89 B26R3.146148 CC(=O)c1ccc(nc1)c2ccc(cc2)OCc3ccc(cc3)Cl f35ded9794fc3c0cf79d03959d84be94 [2,0,0,0,0,0|2,0,0]=4 90 B26R3.146148 CC(=O)c1cnc(nc1)c2ccc(cc2)OCc3ccc(cc3)C a4d2a0d0c9b0bc8b083affd9b0d6ca81 [2,0,0,0,0,0|2,0,0]=4 91 B26R3.146148 CC(=O)c1cnc(nc1)c2ccc(cc2)OCc3ccc(cc3)Cl c98f2511e6b01d7bfa28411f3b28a6f0 [2,0,0,0,0,0|1,0,0]=3 92 B26R3.146148 CC(=O)c1cnc(nc1)c2ccc(cc2)OCc3ccc(cc3)F 35645ec501f000a75014a4b7d06a4c83 [2,0,0,0,0,0|1,1,0]=4 93 B26R3.146148 CC(O)c1cnc(nc1)c2ccc(cc2)OCc3ccc(cc3)Cl 4f385f95979084cce3df94a155593187 [2,0,0,0,0,0|1,0,1]=4 94 B26R3.146148 Cc1ccc(cc1)COc2ccc(cc2)c3ccc(cn3)C(=O)O a6c594e2635af65cf4ae4f9a284e874f [2,0,0,0,0,0|2,0,0]=4 95 B26R3.146148 Cc1ccc(cc1)COc2ccc(cc2)c3ncc(cn3)C(=O)N 8fa9b454f776ddfb5eba639a64545c8f [2,0,0,0,0,0|2,0,0]=4 96 B26R3.146148 Cc1ccc(cc1)COc2ccc(cc2)c3ncc(cn3)C(=O)O 46c65fe8508d36f2e6a28393a51be7ca [2,0,0,0,0,0|1,0,0]=3 97 B26R3.146148 NC(=O)c1ccc(nc1)c2ccc(cc2)OCc3ccc(cc3)Cl 5b321bcd7e9eaa5532d693d7b19fa66c [2,0,0,0,0,0|2,0,0]=4 98 B26R3.146148 NC(=O)c1cnc(nc1)c2ccc(cc2)OCc3ccc(cc3)Cl 81f070bd67386735b258324b54efe329 [2,0,0,0,0,0|1,0,0]=3 99 B26R3.146148 NC(=O)c1cnc(nc1)c2ccc(cc2)OCc3ccc(cc3)F d69525b0fd61733f95d70f919aa8a3fc [2,0,0,0,0,0|1,1,0]=4 100 B26R3.146148 O=C(O)c1ccc(cc1)c2ccc(cc2)OCc3ccc(cc3)Cl cfb7bcea32e6e7c458aa7577d09b06b4 [2,0,0,0,0,0|2,0,0]=4 101 B26R3.146148 O=C(O)c1ccc(nc1)c2ccc(cc2)OCc3ccc(cc3)Cl e31c818cdc9f4a204bba72ca68c1d86e [2,0,0,0,0,0|1,0,0]=3 102 B26R3.146148 O=C(O)c1ccc(nc1)c2ccc(cc2)OCc3ccc(cc3)F 853b1f2d6c93d611cae8fcb6dbdaf8ce [2,0,0,0,0,0|1,1,0]=4 103 B26R3.146148 O=C(O)c1ccc(nn1)c2ccc(cc2)OCc3ccc(cc3)Cl 27355cb524e1e93730265532edc375c1 [2,0,0,0,0,0|2,0,0]=4 104 B26R3.146148 O=C(O)c1cnc(cn1)c2ccc(cc2)OCc3ccc(cc3)Cl 5b0e5b651aad748453e2684b4717c214 [2,0,0,0,0,0|2,0,0]=4 105 B26R3.146148 O=C(O)c1cnc(nc1)c2ccc(cc2)C#Cc3ccc(cc3)Cl b3d43647d5927bf55e1de4b86bef53de [2,0,0,0,0,0|1,0,1]=4 106 B26R3.146148 O=C(O)c1cnc(nc1)c2ccc(cc2)COc3ccc(cc3)Cl 5577dcc86631c6e92b06f0763524b4a2 [2,0,0,0,0,0|2,0,0]=4 107 B26R3.146148 O=C(O)c1cnc(nc1)c2ccc(cc2)OCc3ccc(cc3)Cl 53edf5850660974b0fe31795b85afe8b [2,0,0,0,0,0|0,0,0]=2 108 B26R3.146148 O=C(O)c1cnc(nc1)c2ccc(cc2)OCc3ccc(cc3)F fd7c0ae31c3cf64c0a59a250872b5bd7 [2,0,0,0,0,0|0,1,0]=3 109 B26R3.146148 O=[N+]([O-])c1cnc(nc1)c2ccc(cc2)OCc3ccc(cc3)Cl cc01217dcb4edef338e89d4458256420 [2,0,0,0,0,0|1,0,1]=4 110 B28R3.3721054 COc1ccc(cc1)COc2ccc(cc2C#N)c3ccc(cn3)C=O 98d98e7ce25a874893089188c3ad2a92 [1,1,0,0,0,0|2,0,0]=4 111 B28R3.755030 CCC(=O)c1ccc(nc1)c2ccc(c(c2)C#N)OCc3ccccc3 a8771e9c7f22029f056165fb42f98a6e [1,1,0,0,0,0|2,0,0]=4 112 B28R3.755030 CCc1cc(ccc1OCc2ccccc2)c3ncc(cn3)C(=O)OC b548e86244c4b52d18ff7dd5ad91e1e2 [1,1,0,0,0,0|1,0,1]=4 113 B28R3.755030 CNC(=O)c1ccc(nc1)c2ccc(c(c2)C#N)OCc3ccccc3 30682255d2377e7a409cc962fcb53519 [1,1,0,0,0,0|2,0,0]=4 114 B28R3.755030 CNC(=O)c1cnc(nc1)c2ccc(c(c2)C#N)OCc3ccccc3 c5a70a8f9c884385a5fe8317db10f69c [1,1,0,0,0,0|1,0,0]=3 115 B28R3.755030 COC(=O)c1ccc(cc1)c2ccc(c(c2)C#N)OCc3ccccc3 6de95c993d2a0f8e632903cf1da79983 [1,1,0,0,0,0|2,0,0]=4 116 B28R3.755030 COC(=O)c1ccc(nc1)c2ccc(c(c2)C#N)OCc3ccccc3 100810ce3b233843a972618be3872ab1 [1,1,0,0,0,0|1,0,0]=3 117 B28R3.755030 COC(=O)c1ccc(nn1)c2ccc(c(c2)C#N)OCc3ccccc3 ad33b40cad9f151566ec53766d85f134 [1,1,0,0,0,0|2,0,0]=4 118 B28R3.755030 COC(=O)c1cnc(cn1)c2ccc(c(c2)C#N)OCc3ccccc3 3fdda6855531eb9e9a8d411e8fa8a490 [1,1,0,0,0,0|2,0,0]=4 119 B28R3.755030 COC(=O)c1cnc(nc1)c2ccc(c(c2)C#N)OCc3ccccc3 2cd6a838f4121018a14cc2e26c2457f5 [1,1,0,0,0,0|0,0,0]=2 120 B28R3.755030 COC(=O)c1cnc(nc1)c2ccc(c(c2)C=O)OCc3ccccc3 9026cc0ea3fbcb09d18cd8cb4325329a [1,1,0,0,0,0|1,0,1]=4 121 B28R3.755030 COC(=O)c1cnc(nc1)c2ccc(c(c2)CO)OCc3ccccc3 49e861eae6c17c9ab3e7881a665bfe46 [1,1,0,0,0,0|1,0,1]=4 122 B28R3.755030 COC(=O)c1cnc(nc1)c2ccc(c(c2)OC)OCc3ccccc3 e375acfb04f7c75a727f812b77a65b97 [1,1,0,0,0,0|2,0,0]=4 123 B28R3.755030 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(cc3)C(=O)CO b21d6125d8026a5cb9e93191d87fad3c [1,1,0,0,0,0|2,0,0]=4 124 B28R3.755030 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(cc3)C(=O)NO db41c6f218adc2c1c88785cd8169926f [1,1,0,0,0,0|2,0,0]=4 125 B28R3.755030 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(cc3)C(=O)ON 2d7082e260c30f9d2971261eff938e64 [1,1,0,0,0,0|2,0,0]=4 126 B28R3.755030 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(cn3)C(=O)CBr 821b6eb45d3f0b8ec0c1b9b5f4c55512 [1,1,0,0,0,0|2,0,0]=4 127 B28R3.755030 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(cn3)C(=O)CCl 0faba8be39ff39501b24a7d1b6d06a76 [1,1,0,0,0,0|2,0,0]=4 128 B28R3.755030 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(cn3)C(=O)NO 46f900cd945bb3607179918afcea10da [1,1,0,0,0,0|1,0,0]=3 129 B28R3.755030 N#Cc1cc(ccc1OCc2ccccc2)c3ncc(cn3)C(=O)CBr 24e8f8cde50355902938b4e2ad19bd4e [1,1,0,0,0,0|1,0,0]=3 130 B28R3.755031 CS(=O)(=O)c1cnc(nc1)c2ccc(c(c2)C#N)OCc3ccccc3 3628b58ab5bf0b5c39f41bd0ee22cf04 [1,1,0,0,0,0|1,0,1]=4 131 B28R3.755031 N#Cc1cc(ccc1OCc2ccccc2)c3ncc(cn3)S(=O)(=O)N 6f9f8fa1794e8dde7ca7424fa459a5ce [1,1,0,0,0,0|1,0,1]=4 132 B28R3.755034 CC(=O)c1cnc(c(c1)C)c2ccc(c(c2)C#N)OCc3ccccc3 72380978d847ad2a25c5a6c96094c541 [1,1,0,0,0,0|2,0,0]=4 133 B28R3.755034 Cc1cc(ccc1c2ccc(c(c2)C#N)OCc3ccccc3)C(=O)O 13cf4e860f437d39bf7e219731b4df40 [1,1,0,0,0,0|2,0,0]=4 134 B28R3.755034 Cc1cc(cnc1c2ccc(c(c2)C#N)OCc3ccccc3)C(=O)O 6744d6fa0e0db15f5231cb241fe5d9d3 [1,1,0,0,0,0|1,0,0]=3 135 B28R3.755034 Cc1nc(cnc1c2ccc(c(c2)C#N)OCc3ccccc3)C(=O)O 3c6dd33dff5d60146b7901fc5a2b7897 [1,1,0,0,0,0|2,0,0]=4 136 B28R3.755034 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(cc3F)C(=O)O 8833012569e6f3f6ee86c102ec0a9f88 [1,1,0,0,0,0|2,0,0]=4 137 B28R3.755034 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(cc3N)C(=O)O 93ee4a52d2c9386801f13180e0d25490 [1,1,0,0,0,0|2,0,0]=4 138 B28R3.755034 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(cc3O)C(=O)O cd6658fbd324e5f4afda9f7653c6677a [1,1,0,0,0,0|2,0,0]=4 139 B28R3.755034 N#Cc1cc(ccc1OCc2ccccc2)c3ncc(cc3F)C(=O)N b910656b1fde9c06d04d829437ef23e4 [1,1,0,0,0,0|2,0,0]=4 140 B28R3.755034 N#Cc1cc(ccc1OCc2ccccc2)c3ncc(cc3F)C(=O)O d53ddd312e2ac6a973611b9e4bcb3684 [1,1,0,0,0,0|1,0,0]=3 141 B28R3.755034 N#Cc1cc(ccc1OCc2ccccc2)c3ncc(cc3N)C(=O)O 9adbd5dbc41c421c932b2de0935958cf [1,1,0,0,0,0|1,0,0]=3 142 B28R3.755034 N#Cc1cc(ccc1OCc2ccccc2)c3ncc(cc3O)C(=O)O 2da9fb945b1e54ff8d135da3f34896bd [1,1,0,0,0,0|1,0,0]=3 143 B28R3.755042 CC(=O)c1ccc(nc1C)c2ccc(c(c2)C#N)OCc3ccccc3 e7fa156fd0e9353dc690105827991b9c [1,1,0,0,0,0|2,0,0]=4 144 B28R3.755042 CC(=O)c1ccc(nc1F)c2ccc(c(c2)C#N)OCc3ccccc3 a91bc871cd5130673797f78a881a31d6 [1,1,0,0,0,0|2,0,0]=4 145 B28R3.755042 CC(=O)c1ccc(nc1N)c2ccc(c(c2)C#N)OCc3ccccc3 df9e614319796cf071da32ae3ad21842 [1,1,0,0,0,0|2,0,0]=4 146 B28R3.755042 CC(=O)c1ccc(nc1O)c2ccc(c(c2)C#N)OCc3ccccc3 8a4e2fc00fecde9532296e78e9e6a740 [1,1,0,0,0,0|2,0,0]=4 147 B28R3.755042 CC(=O)c1cnc(cc1C)c2ccc(c(c2)C#N)OCc3ccccc3 7f6a826878a9f904dc5cb4a6386aced5 [1,1,0,0,0,0|2,0,0]=4 148 B28R3.755042 CC(=O)c1cnc(cc1O)c2ccc(c(c2)C#N)OCc3ccccc3 6d40a244d3b504494481f96ae25a5d22 [1,1,0,0,0,0|2,0,0]=4 149 B28R3.755042 Cc1cc(ccc1C(=O)O)c2ccc(c(c2)C#N)OCc3ccccc3 ce98b9e4588c83337ebc712420e1fd4f [1,1,0,0,0,0|2,0,0]=4 150 B28R3.755042 Cc1cc(ncc1C(=O)N)c2ccc(c(c2)C#N)OCc3ccccc3 c90b1a0b08df81f2456355226d36c3eb [1,1,0,0,0,0|2,0,0]=4 151 B28R3.755042 Cc1cc(ncc1C(=O)O)c2ccc(c(c2)C#N)OCc3ccccc3 a76fb9f571567ddabbb820e7bab8e8e9 [1,1,0,0,0,0|1,0,0]=3 152 B28R3.755042 Cc1nc(ccc1C(=O)O)c2ccc(c(c2)C#N)OCc3ccccc3 d1a36d3d54f9c8d3b35c35992e70707c [1,1,0,0,0,0|1,0,0]=3 153 B28R3.755042 Cc1nc(ncc1C(=O)O)c2ccc(c(c2)C#N)OCc3ccccc3 db956d941764d30490ea65e8df75dddf [1,1,0,0,0,0|0,0,0]=2 154 B28R3.755042 Cc1nc(ncc1C(=O)O)c2ccc(c(c2)C=O)OCc3ccccc3 8157be2bf2c3436795ceb5cd7da00a1d [1,1,0,0,0,0|1,0,1]=4 155 B28R3.755042 N#Cc1cc(ccc1OCc2ccccc2)c3cc(c(cn3)C(=O)O)F cf6008c869b8e89573c2cc1d7b86bf7e [1,1,0,0,0,0|1,0,0]=3 156 B28R3.755042 N#Cc1cc(ccc1OCc2ccccc2)c3cc(c(cn3)C(=O)O)N 546ffaf22864ae1fc7498a1c19eb4f4c [1,1,0,0,0,0|1,0,0]=3 157 B28R3.755042 N#Cc1cc(ccc1OCc2ccccc2)c3cc(c(cn3)C(=O)O)O c0417fa8594e75047e862b95935419ac [1,1,0,0,0,0|1,0,0]=3 158 B28R3.755042 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(c(c3)Cl)C(=O)O 2475163492ada37a90d7ede6861ae5ee [1,1,0,0,0,0|2,0,0]=4 159 B28R3.755042 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(c(c3)F)C(=O)O abe0d2ac226d4106735474249fa26fa1 [1,1,0,0,0,0|2,0,0]=4 160 B28R3.755042 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(c(c3)N)C(=O)O 1b598f6ad47682be2f00018ec035e8d7 [1,1,0,0,0,0|2,0,0]=4 161 B28R3.755042 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(c(c3)O)C(=O)O 84a2bddb3d09fcbc5b5d32d9332992f7 [1,1,0,0,0,0|2,0,0]=4 162 B28R3.755042 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(c(c3)S)C(=O)O f072d2f39b9ea21d4b3522a0082ab8c6 [1,1,0,0,0,0|2,0,0]=4 163 B28R3.755042 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(c(n3)F)C(=O)N c6a247c05c7be82b0db1bfe9bde6d05f [1,1,0,0,0,0|2,0,0]=4 164 B28R3.755042 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(c(n3)F)C(=O)O e4e26a7da48f2affe90815319baed1e4 [1,1,0,0,0,0|1,0,0]=3 165 B28R3.755042 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(c(n3)N)C(=O)N c74e73ea4a46e48a4952ee96b827dd1a [1,1,0,0,0,0|2,0,0]=4 166 B28R3.755042 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(c(n3)N)C(=O)O 6edc597a202b85f4e7a647a8ec0f0902 [1,1,0,0,0,0|1,0,0]=3 167 B28R3.755042 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(c(n3)O)C(=O)O 13b95c3d995ac581206478304f76e94a [1,1,0,0,0,0|1,0,0]=3 168 B28R3.755042 N#Cc1cc(ccc1OCc2ccccc2)c3cnc(c(n3)N)C(=O)O ccca005aa637c3bf24854e4c5c295a12 [1,1,0,0,0,0|2,0,0]=4 169 B28R3.755042 Nc1nc(ncc1C(=O)O)c2ccc(c(c2)C=O)OCc3ccccc3 deb41c1cb203d70605dba403ad618959 [1,1,0,0,0,0|1,0,1]=4 170 B28R3.5467288 COc1cc(cc(c1OCc2ccccc2)Cl)c3ncc(cn3)C(=O)O ddf8e43f68faf2c9f1f04bad7539ac6f [1,1,0,0,0,0|2,0,0]=4 171 B28R3.5467288 O=Cc1cc(cc(c1OCc2ccccc2)F)c3ncc(cn3)C(=O)O 8b7f9c0573f9a56ae16f72ee0d10a453 [1,1,0,0,0,0|1,0,1]=4 172 B28R3.5921361 CC(C)c1cc(ccc1OCc2ccccc2)c3ncc(cn3)C(=O)O 635585d500ba28cde4721f6fcd8296d5 [1,1,0,0,0,0|1,0,1]=4 173 B28R3.5921361 O=C(O)c1cnc(nc1)c2ccc(c(c2)[N+](=O)[O-])OCc3ccccc3 c37665366630e9ac85cfa89a80069ba7 [1,1,0,0,0,0|2,0,0]=4 174 B28R3.7962640 Cc1nc(ncc1C(=O)O)c2ccc(c(c2)Cl)OCc3ccc(cc3)F 99b44e5b20e1f92e866cd89d7fe6fd92 [1,1,0,0,0,0|1,1,0]=4 175 B28R3.8101820 COC(=O)c1cnc(nc1)c2ccc(c(c2)Cl)OCc3ccc(cc3)F 456c950921317f1cb915b7f79a1e9e7d [1,1,0,0,0,0|1,1,0]=4 176 B28R3.85600350 CC(=O)c1cnc(nc1)c2cc(c(c(c2)C)OCc3ccc(cc3)Cl)C 458a862b2f05e22524202e35d33cede6 [1,1,0,0,0,0|1,0,1]=4 177 B28R3.85600350 Cc1cc(cc(c1OCc2ccc(cc2)Cl)C)c3ccc(cn3)C(=O)O 9040d9ece970448cd8b05505984cde2b [1,1,0,0,0,0|1,0,1]=4 178 B28R3.85600350 Cc1cc(cc(c1OCc2ccc(cc2)Cl)C)c3ncc(cn3)C(=O)N 4f02a0d5faaacd14cf1e05fe5855f0b9 [1,1,0,0,0,0|1,0,1]=4 179 B28R3.85600350 Cc1cc(cc(c1OCc2ccc(cc2)Cl)C)c3ncc(cn3)C(=O)O 2c1074867626f357becb46e1ac0768e3 [1,1,0,0,0,0|0,0,1]=3 180 B28R3.3721064 COc1ccc(cc1)COc2ccc(cc2C#N)c3cc(co3)C(=O)O e97a1217aaa591439d8a571524d46805 [0,1,0,0,1,0|2,0,0]=4 181 B28R3.3721064 COc1ccc(cc1)COc2ccc(cc2C#N)c3cc(cs3)C(=O)O 5ad3c17670d095af651ff248d5cbcdb2 [0,1,0,0,1,0|2,0,0]=4 182 B30R3.64682859 COc1ccc(cc1)COc2ccc(cc2C#N)Nc3ccc(cn3)C(=O)O 1227abcdc9a4f59d1247466d185a659a [0,1,0,0,0,1|2,0,0]=4 183 B30R3.64682859 COc1ccc(cc1)COc2ccc(cc2C#N)Nc3ncc(cn3)C(=O)O fcfa0abdfacdb8532764f74b169da7ee [0,1,0,0,0,1|1,0,0]=3 184 B26R3.925624 COc1cc(ccc1Oc2ccccc2)c3ncc(cn3)C(=O)O 701a5f36776e9a83a22a30a570015ff7 [1,0,0,0,1,0|2,0,0]=4 185 B26R3.925624 N#Cc1cc(ccc1Oc2ccccc2)c3ccc(cc3)C(=O)O 1a88530ee5b213adac353f4d735fb105 [1,0,0,0,1,0|2,0,0]=4 186 B26R3.1296364 CC(=O)c1cc(no1)c2ccc(c(c2)C#N)OCc3ccccc3 8badeb9e24cfe266ee2368bf0278cdac [1,0,0,0,1,0|2,0,0]=4 187 B26R3.1296364 CC(=O)c1cnc(s1)c2ccc(c(c2)C#N)OCc3ccccc3 0e06d6da44d2dc7ec08da4ecb7368796 [1,0,0,0,1,0|2,0,0]=4 188 B26R3.1296364 CC(=O)c1csc(c1)c2ccc(c(c2)C#N)OCc3ccccc3 c2e3c7c4876d6266ba7e5c6b414f8186 [1,0,0,0,1,0|2,0,0]=4 189 B26R3.1296364 CC(=O)c1csc(n1)c2ccc(c(c2)C#N)OCc3ccccc3 dca62af913713c9609031863f0997ff9 [1,0,0,0,1,0|2,0,0]=4 190 B26R3.1296364 CC(=O)n1cnc(c1)c2ccc(c(c2)C#N)OCc3ccccc3 95fccca22ec3ba77cd24292098a03bf0 [1,0,0,0,1,0|2,0,0]=4 191 B26R3.1296364 N#Cc1cc(ccc1OCc2ccccc2)c3c[nH]c(c3)C(=O)O 1a9de0dc8416bf7a6a08179565ce9afd [1,0,0,0,1,0|2,0,0]=4 192 B26R3.1296364 N#Cc1cc(ccc1OCc2ccccc2)c3c[nH]c(n3)C(=O)O 5404e84b64c5368f3d60338a41142188 [1,0,0,0,1,0|2,0,0]=4 193 B26R3.1296364 N#Cc1cc(ccc1OCc2ccccc2)c3cc(c[nH]3)C(=O)O 44c1bf814c408ce3d97bd0af4c764fb6 [1,0,0,0,1,0|0,0,1]=3 194 B26R3.1296364 N#Cc1cc(ccc1OCc2ccccc2)c3cc(co3)C(=O)N b5f1d72a82ee943f6056daded4f22282 [1,0,0,0,1,0|2,0,0]=4 195 B26R3.1296364 N#Cc1cc(ccc1OCc2ccccc2)c3cc(co3)C(=O)O e4f61568b6dabdf284299ef6a2290de5 [1,0,0,0,1,0|1,0,0]=3 196 B26R3.1296364 N#Cc1cc(ccc1OCc2ccccc2)c3cc(cs3)C(=O)N b148b9457bf137f4038d55a0df5495b7 [1,0,0,0,1,0|2,0,0]=4 197 B26R3.1296364 N#Cc1cc(ccc1OCc2ccccc2)c3cc(cs3)C(=O)O 6f12982315a3c27f3dc473a331f403e5 [1,0,0,0,1,0|1,0,0]=3 198 B26R3.1296364 N#Cc1cc(ccc1OCc2ccccc2)c3cc(n[nH]3)C(=O)O 76d84b9f25c01584e6c19a2bd90b9cbd [1,0,0,0,1,0|1,0,1]=4 199 B26R3.1296364 N#Cc1cc(ccc1OCc2ccccc2)c3cc(no3)C(=O)O d65e2ea2f37dc8b32b961c3e7a3e60ac [1,0,0,0,1,0|2,0,0]=4 200 B26R3.1296364 N#Cc1cc(ccc1OCc2ccccc2)c3cc(ns3)C(=O)O dc83f14bee552ed3b789d4934dbde727 [1,0,0,0,1,0|2,0,0]=4 201 B26R3.1296364 N#Cc1cc(ccc1OCc2ccccc2)c3cc(on3)C(=O)N 63ec870ae0164e3881a41cdd151b69e0 [1,0,0,0,1,0|2,0,0]=4 202 B26R3.1296364 N#Cc1cc(ccc1OCc2ccccc2)c3cc(on3)C(=O)O bc596896f8cd93ffb9578ff8e437e082 [1,0,0,0,1,0|1,0,0]=3 203 B26R3.1296364 N#Cc1cc(ccc1OCc2ccccc2)c3cc(sn3)C(=O)N f98b492be7965556dcd216890e7d912e [1,0,0,0,1,0|2,0,0]=4 204 B26R3.1296364 N#Cc1cc(ccc1OCc2ccccc2)c3cc(sn3)C(=O)O 41b907f448a9d4f5bb6c77d728d75e9b [1,0,0,0,1,0|1,0,0]=3 205 B26R3.1296364 N#Cc1cc(ccc1OCc2ccccc2)c3ccc([nH]3)C(=O)O 8771c3f634476da569b72e5c708a56de [1,0,0,0,1,0|1,0,1]=4 206 B26R3.1296364 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(o3)C(=O)O cf80f67489e2e1dcc0b7cf0b084b2d14 [1,0,0,0,1,0|2,0,0]=4 207 B26R3.1296364 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(s3)C(=O)O 8bf13a46fb6a28fe706fe29aab394329 [1,0,0,0,1,0|2,0,0]=4 208 B26R3.1296364 N#Cc1cc(ccc1OCc2ccccc2)c3coc(c3)C(=O)O 325f8ca8841df581e522f96b81eb69f3 [1,0,0,0,1,0|2,0,0]=4 209 B26R3.1296364 N#Cc1cc(ccc1OCc2ccccc2)c3coc(n3)C(=O)O 39e81dbbc68dde6793e900df1d7d5a05 [1,0,0,0,1,0|2,0,0]=4 210 B26R3.1296364 N#Cc1cc(ccc1OCc2ccccc2)c3csc(c3)C(=O)O 1b13d428ec29d0b22ce4d8582a52bde9 [1,0,0,0,1,0|2,0,0]=4 211 B26R3.1296364 N#Cc1cc(ccc1OCc2ccccc2)c3csc(n3)C(=O)O aea3f8ab48bd3d8a9946178fb0bd253a [1,0,0,0,1,0|2,0,0]=4 212 B26R3.1296364 N#Cc1cc(ccc1OCc2ccccc2)c3n[nH]c(n3)C(=O)N dbea3e8f9dcb5261c498de5aecc1cce5 [1,0,0,0,1,0|2,0,0]=4 213 B26R3.1296364 N#Cc1cc(ccc1OCc2ccccc2)c3nc(co3)C(=O)N ea4192624989d13c9ade26830b2b90db [1,0,0,0,1,0|2,0,0]=4 214 B26R3.1296364 N#Cc1cc(ccc1OCc2ccccc2)c3nc(co3)C(=O)O 68b86cbde88bd5b61d487748672d2505 [1,0,0,0,1,0|1,0,0]=3 215 B26R3.1296364 N#Cc1cc(ccc1OCc2ccccc2)c3nc(cs3)C(=O)N 92241bc946312ed10a53a30f78d95859 [1,0,0,0,1,0|2,0,0]=4 216 B26R3.1296364 N#Cc1cc(ccc1OCc2ccccc2)c3nc(cs3)C(=O)O 3761916b5da1a988b76cee3dc6b2739c [1,0,0,0,1,0|1,0,0]=3 217 B26R3.1296364 N#Cc1cc(ccc1OCc2ccccc2)c3nc(n[nH]3)C(=O)O 0fb0f2122bbcbb0d70b8285601f138d7 [1,0,0,0,1,0|1,0,1]=4 218 B26R3.1296364 N#Cc1cc(ccc1OCc2ccccc2)c3ncc([nH]3)C(=O)O 002ead4d5f2cdd6371c1eed24f238e4d [1,0,0,0,1,0|0,0,1]=3 219 B26R3.1296364 N#Cc1cc(ccc1OCc2ccccc2)c3ncc(o3)C(=O)N eb4579aa7e906cfc146ae2534e38124b [1,0,0,0,1,0|2,0,0]=4 220 B26R3.1296364 N#Cc1cc(ccc1OCc2ccccc2)c3ncc(o3)C(=O)O 7a93a7f77b22535e677d70732ffc26ea [1,0,0,0,1,0|1,0,0]=3 221 B26R3.1296364 N#Cc1cc(ccc1OCc2ccccc2)c3ncc(s3)C(=O)N 74fd2d51c94df1565203aac3d678ee71 [1,0,0,0,1,0|2,0,0]=4 222 B26R3.1296364 N#Cc1cc(ccc1OCc2ccccc2)c3ncc(s3)C(=O)O b4518256b3c22bb4268dc8130c6ba503 [1,0,0,0,1,0|1,0,0]=3 223 B26R3.1296364 N#Cc1cc(ccc1OCc2ccccc2)c3nnc(s3)C(=O)O 73cfa25e6c2061a7922c8124ea305ba9 [1,0,0,0,1,0|2,0,0]=4 224 B26R3.1296364 N#Cc1cc(ccc1SCc2ccccc2)c3cc(co3)C(=O)O d68e9417f1eabdac07b025a7dfe50402 [1,0,0,0,1,0|1,1,0]=4 225 B28R3.755033 CC(=O)Nc1ccc(nc1)c2ccc(c(c2)C#N)OCc3ccccc3 db7392980957bb8ed989e1634d717996 [1,0,0,0,0,1|2,0,0]=4 226 B28R3.755033 CCc1cc(ccc1OCc2ccccc2)c3ncc(cn3)CC(=O)O 67cb448c9b22339ce6a44900c4a83d7c [1,0,0,0,0,1|1,0,1]=4 227 B28R3.755033 COc1cc(ccc1OCc2ccccc2)c3ncc(cn3)CC(=O)O b072baa35fe79814952c45bc0d588405 [1,0,0,0,0,1|2,0,0]=4 228 B28R3.755033 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(cc3)CC(=O)O 9afc3471cca3e4621cba43262c48bf19 [1,0,0,0,0,1|2,0,0]=4 229 B28R3.755033 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(cn3)CC(=O)N 5fa93631ce88926d40805aac03041ebd [1,0,0,0,0,1|2,0,0]=4 230 B28R3.755033 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(cn3)CC(=O)O 9f23509c6c1d30d1bc4b430a78558df0 [1,0,0,0,0,1|1,0,0]=3 231 B28R3.755033 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(nn3)CC(=O)O 74bafee0ec242494b0108dc483631a33 [1,0,0,0,0,1|2,0,0]=4 232 B28R3.755033 N#Cc1cc(ccc1OCc2ccccc2)c3ncc(cn3)CC(=O)O 2551735bf604d7df63a4b71115b7b9a0 [1,0,0,0,0,1|0,0,0]=2 233 B28R3.755033 O=C(O)Cc1cnc(nc1)c2ccc(c(c2)CO)OCc3ccccc3 add4ab7d56c9e5730e39b85109a48be6 [1,0,0,0,0,1|1,0,1]=4 234 B28R3.755033 O=Cc1cc(ccc1OCc2ccccc2)c3ncc(cn3)CC(=O)O 449a32f20edee9ea8e1d42875807966b [1,0,0,0,0,1|1,0,1]=4 235 B28R3.95607535 CC(=O)c1ccc(nc1)Nc2ccc(c(c2)C#N)OCc3ccccc3 83fabc87fbcf21a2f4c52ee67cf5b904 [1,0,0,0,0,1|2,0,0]=4 236 B28R3.95607535 CCc1cc(ccc1OCc2ccccc2)Nc3ncc(cn3)C(=O)O a9d0cc39e91a7a52e3fee80ef7b06efb [1,0,0,0,0,1|1,0,1]=4 237 B28R3.95607535 COc1cc(ccc1OCc2ccccc2)Nc3ncc(cn3)C(=O)O bc247fe9f6ce936f89368aa7a5e7f97e [1,0,0,0,0,1|2,0,0]=4 238 B28R3.95607535 N#Cc1cc(ccc1OCc2ccccc2)Nc3ccc(cc3)C(=O)O c6af9ab374aa99318be996c8c705ae26 [1,0,0,0,0,1|2,0,0]=4 239 B28R3.95607535 N#Cc1cc(ccc1OCc2ccccc2)Nc3ccc(cn3)C(=O)N b2d0c6e77d60eb30a48ae3a954068149 [1,0,0,0,0,1|2,0,0]=4 240 B28R3.95607535 N#Cc1cc(ccc1OCc2ccccc2)Nc3ccc(cn3)C(=O)O efff93897fe7be92e5dff7f9fd4b2852 [1,0,0,0,0,1|1,0,0]=3 241 B28R3.95607535 N#Cc1cc(ccc1OCc2ccccc2)Nc3ccc(nn3)C(=O)O a195a55408d1496addce6e6753b040ed [1,0,0,0,0,1|2,0,0]=4 242 B28R3.95607535 N#Cc1cc(ccc1OCc2ccccc2)Nc3cnc(cn3)C(=O)O 59b8ef307b61ba16556767185a1e2c8a [1,0,0,0,0,1|2,0,0]=4 243 B28R3.95607535 N#Cc1cc(ccc1OCc2ccccc2)Nc3ncc(cn3)C(=O)O 57820590019ddd05949eebaf5d30cd63 [1,0,0,0,0,1|0,0,0]=2 244 B28R3.95607535 N#Cc1cc(ccc1OCc2ccccc2)Nc3ncc(cn3)[N+](=O)[O-] 683ed0281f14ab077ab249a6b59bfd20 [1,0,0,0,0,1|1,0,1]=4 245 B28R3.95607535 N#Cc1cc(ccc1SCc2ccccc2)Nc3ccc(cn3)C(=O)O 8b7255188ad3baf1c3da1b348421eb36 [1,0,0,0,0,1|1,1,0]=4 246 B28R3.95607535 O=C(O)c1cnc(nc1)Nc2ccc(c(c2)CO)OCc3ccccc3 c7528b03efccfcbd95a4737c9f9b9305 [1,0,0,0,0,1|1,0,1]=4 247 B28R3.95607535 O=Cc1cc(ccc1OCc2ccccc2)Nc3ncc(cn3)C(=O)O 21fb79f2dd694c481aa0339bb7657ac0 [1,0,0,0,0,1|1,0,1]=4 248 B28R3.7962605 Cc1ccc(cc1)COc2ccc(cc2C)Nc3ncc(cn3)C(=O)O d8b7637f7489d06d159602d17ce122bd [1,0,0,0,0,1|1,0,1]=4 249 B28R3.7962605 Cc1ccc(cc1)COc2ccc(cc2F)Nc3ncc(cn3)C(=O)O 7fc1acd898fe6f983d0123f0372b2ffa [1,0,0,0,0,1|2,0,0]=4 250 B28R3.7962633 O=C(O)Cc1cnc(nc1)c2ccc(c(c2)Cl)OCc3ccc(cc3)F dd34e70be6b609002cb3bb6fc4e8d5d2 [1,0,0,0,0,1|1,1,0]=4 251 B28R3.2349705 N#Cc1cc(ccc1Sc2ccc(cc2)F)Nc3ncc(cn3)C(=O)O 90466e6ff4a471b05ab8505b3607b8db [0,0,0,0,1,1|0,2,0]=4