0 B27R3.1127624 C=C(C)c1ccc(nc1)c2ccc(c(c2)C#N)OCc3ccccc3 ca903fe668b458541706ed67f444c3f1 [0,0,0,0,0,0|4,0,0]=4 1 B27R3.1127624 CC(=O)c1ccc(cc1)c2ccc(c(c2)C#N)OCc3ccccc3 ed8440ebdb95f9ab960ef3b964a71940 [0,0,0,0,0,0|4,0,0]=4 2 B27R3.1127624 CC(=O)c1ccc(nc1)c2ccc(c(c2)C#N)OCc3ccccc3 5563dd5d2bf6b119f8c131dba8239751 [0,0,0,0,0,0|3,0,0]=3 3 B27R3.1127624 CC(=O)c1ccc(nn1)c2ccc(c(c2)C#N)OCc3ccccc3 441e1c963ac2d8a265208b15f3d20207 [0,0,0,0,0,0|4,0,0]=4 4 B27R3.1127624 CC(=O)c1cnc(cn1)c2ccc(c(c2)C#N)OCc3ccccc3 10e5046b6ab9a770fd21a79af26ca67c [0,0,0,0,0,0|4,0,0]=4 5 B27R3.1127624 CC(=O)c1cnc(nc1)c2ccc(c(c2)C#N)OCc3ccccc3 0c8848562d4dd46863b1c069cab398d0 [0,0,0,0,0,0|2,0,0]=2 6 B27R3.1127624 CC(=O)c1cnc(nc1)c2ccc(c(c2)C=O)OCc3ccccc3 46ee80f619c68c5c6bb587c33f0d66e6 [0,0,0,0,0,0|3,0,1]=4 7 B27R3.1127624 CC(=O)c1cnc(nc1)c2ccc(c(c2)CO)OCc3ccccc3 d9b46571ce07f59c68a892a2a81da945 [0,0,0,0,0,0|3,0,1]=4 8 B27R3.1127624 CC(C)c1cnc(nc1)c2ccc(c(c2)C#N)OCc3ccccc3 7606a239240199d154a77a38768470f3 [0,0,0,0,0,0|3,0,1]=4 9 B27R3.1127624 CC(O)c1ccc(nc1)c2ccc(c(c2)C#N)OCc3ccccc3 5c970ddb946e7e21b52437686b100e39 [0,0,0,0,0,0|3,0,1]=4 10 B27R3.1127624 CC(O)c1cnc(nc1)c2ccc(c(c2)C#N)OCc3ccccc3 c668f300ce77e958d9ce99b63d3ce309 [0,0,0,0,0,0|2,0,1]=3 11 B27R3.1127624 CCc1cc(ccc1OCc2ccccc2)c3ccc(cn3)C(=O)O 4173b0188bc23b96ec9f51429510fae5 [0,0,0,0,0,0|3,0,1]=4 12 B27R3.1127624 CCc1cc(ccc1OCc2ccccc2)c3ncc(cn3)C(=O)C 43d4b0675f7d46d96c81743186f5ee9a [0,0,0,0,0,0|3,0,1]=4 13 B27R3.1127624 CCc1cc(ccc1OCc2ccccc2)c3ncc(cn3)C(=O)O 5e7a534aa5e5a6e5851912317a9d679b [0,0,0,0,0,0|2,0,1]=3 14 B27R3.1127624 CN(C)c1cnc(nc1)c2ccc(c(c2)C#N)OCc3ccccc3 595499f33afedc878aaebaae573a9c63 [0,0,0,0,0,0|4,0,0]=4 15 B27R3.1127624 COc1cc(ccc1OCc2ccccc2)c3ccc(cn3)C(=O)O 723a6e4b20bf7e9ff719b869578dd2ec [0,0,0,0,0,0|4,0,0]=4 16 B27R3.1127624 COc1cc(ccc1OCc2ccccc2)c3ncc(cn3)C(=O)C b45c4912862e04a3cb33d8dd4214f3be [0,0,0,0,0,0|4,0,0]=4 17 B27R3.1127624 COc1cc(ccc1OCc2ccccc2)c3ncc(cn3)C(=O)O 0fee86d384ce8be975f70954141a16af [0,0,0,0,0,0|3,0,0]=3 18 B27R3.1127624 CS(=O)c1ccc(nc1)c2ccc(c(c2)C#N)OCc3ccccc3 b2f5fac1250604e865909e5d958f24d9 [0,0,0,0,0,0|4,0,0]=4 19 B27R3.1127624 C[C@@H](N)c1cnc(nc1)c2ccc(c(c2)C#N)OCc3ccccc3 e0d7a78522348c210855edb0b509678e [0,0,0,0,0,0|3,0,1]=4 20 B27R3.1127624 C[C@@H](O)c1ccc(nc1)c2ccc(c(c2)C#N)OCc3ccccc3 eaf43c0033b9ec36b11e33ec269a6d66 [0,0,0,0,0,0|3,0,1]=4 21 B27R3.1127624 C[C@H](O)c1ccc(nc1)c2ccc(c(c2)C#N)OCc3ccccc3 3e847a1f925aab3ce84fe58602154974 [0,0,0,0,0,0|3,0,1]=4 22 B27R3.1127624 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(cc3)C(=O)F 13653e571d20e2994e66a6252fc943c9 [0,0,0,0,0,0|4,0,0]=4 23 B27R3.1127624 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(cc3)C(=O)N 1d422e520b204822071a19520272465a [0,0,0,0,0,0|4,0,0]=4 24 B27R3.1127624 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(cc3)C(=O)O 7a06aa19066da6fd4dc43c71e75409c5 [0,0,0,0,0,0|3,0,0]=3 25 B27R3.1127624 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(cc3)S(=O)O f4af53e3092e94cb199b1422300e08de [0,0,0,0,0,0|4,0,0]=4 26 B27R3.1127624 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(cn3)C(=O)N 6e38e29cbf9da4687d8500b3090faf7e [0,0,0,0,0,0|3,0,0]=3 27 B27R3.1127624 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(cn3)C(=O)O 485d7829434aa98140104c1f90ba1c7a [0,0,0,0,0,0|2,0,0]=2 28 B27R3.1127624 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(cn3)C(=S)N ddab9bd7988a489acf5f74c7e4c91d65 [0,0,0,0,0,0|3,1,0]=4 29 B27R3.1127624 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(cn3)[N+](=O)[O-] aef2ced60c75b1566c7d5439576baa24 [0,0,0,0,0,0|3,0,1]=4 30 B27R3.1127624 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(nc3)C(=O)O 543efa42cb1c48e0582787b55768cbbe [0,0,0,0,0,0|4,0,0]=4 31 B27R3.1127624 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(nn3)C(=O)N 9c22cd94f1da815de7ad13c3d4046e1d [0,0,0,0,0,0|4,0,0]=4 32 B27R3.1127624 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(nn3)C(=O)O dda6bc88ce3cb53ec8a6144c0f9035b1 [0,0,0,0,0,0|3,0,0]=3 33 B27R3.1127624 N#Cc1cc(ccc1OCc2ccccc2)c3cnc(cn3)C(=O)N 3b280fc451490f5fcc40893042fadbb8 [0,0,0,0,0,0|4,0,0]=4 34 B27R3.1127624 N#Cc1cc(ccc1OCc2ccccc2)c3cnc(cn3)C(=O)O 904131071d998268f56eaf091cc8ae0f [0,0,0,0,0,0|3,0,0]=3 35 B27R3.1127624 N#Cc1cc(ccc1OCc2ccccc2)c3ncc(cn3)C(=O)N 6e8211e680defa945dc9b6bb84596c00 [0,0,0,0,0,0|2,0,0]=2 36 B27R3.1127624 N#Cc1cc(ccc1OCc2ccccc2)c3ncc(cn3)C(=O)O 535f7177cbd32f8b7da9aea7c1952bc9 [0,0,0,0,0,0|1,0,0]=1 37 B27R3.1127624 N#Cc1cc(ccc1OCc2ccccc2)c3ncc(cn3)C(F)F 6a99fa6d846cff92d0f872cdfeca3a11 [0,0,0,0,0,0|3,0,1]=4 38 B27R3.1127624 N#Cc1cc(ccc1OCc2ccccc2)c3ncc(cn3)[N+](=O)[O-] 460cbe77d8c2a7ba9f07e21084e12522 [0,0,0,0,0,0|2,0,1]=3 39 B27R3.1127624 N#Cc1cc(ccc1SCc2ccccc2)c3ccc(cc3)C(=O)O 5982e4859b78d025f010b410979eeb53 [0,0,0,0,0,0|3,1,0]=4 40 B27R3.1127624 NC(=O)c1cnc(nc1)c2ccc(c(c2)C=O)OCc3ccccc3 2822025b51ea40a1b1482d5efa2f3164 [0,0,0,0,0,0|3,0,1]=4 41 B27R3.1127624 O=C(O)c1ccc(nc1)c2ccc(c(c2)CO)OCc3ccccc3 3700549d73ae1c26d2d39a226c1d506b [0,0,0,0,0,0|3,0,1]=4 42 B27R3.1127624 O=C(O)c1cnc(nc1)c2ccc(c(c2)CO)OCc3ccccc3 ae3538af619c33d9218ef5ecf05637d3 [0,0,0,0,0,0|2,0,1]=3 43 B27R3.1127624 O=Cc1cc(ccc1OCc2ccccc2)c3ccc(cn3)C(=O)O 2f2cb4c7f632a273f95dc54189bf4713 [0,0,0,0,0,0|3,0,1]=4 44 B27R3.1127624 O=Cc1cc(ccc1OCc2ccccc2)c3ncc(cn3)C(=O)O 1e0784463b40da434f0bc3cac9952254 [0,0,0,0,0,0|2,0,1]=3 45 B26R3.45143 C=Cc1ccc(nc1)c2ccc(c(c2)C#N)OCc3ccccc3 db5c7eaaa174544335dbfe0bd7012489 [1,0,0,0,0,0|3,0,0]=4 46 B26R3.45143 C=Cc1cnc(nc1)c2ccc(c(c2)C#N)OCc3ccccc3 d12759d63d343911ca1bbb3b8c407942 [1,0,0,0,0,0|2,0,0]=3 47 B26R3.45143 CCc1cc(ccc1OCc2ccccc2)c3ncc(cn3)C=O 345e559164afe4fc242878f6b797d55a [1,0,0,0,0,0|2,0,1]=4 48 B26R3.45143 CCc1cnc(nc1)c2ccc(c(c2)C#N)OCc3ccccc3 63c517b65230ad980caf0d4309f43091 [1,0,0,0,0,0|2,0,1]=4 49 B26R3.45143 COc1cc(ccc1OCc2ccccc2)c3ncc(cn3)C=O 20e52a3be35fef3fd2f12269aeaa9647 [1,0,0,0,0,0|3,0,0]=4 50 B26R3.45143 COc1cnc(nc1)c2ccc(c(c2)C#N)OCc3ccccc3 a8fad4bb9f3fdc35e2e97a3ee17eea87 [1,0,0,0,0,0|3,0,0]=4 51 B26R3.45143 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(cc3)C=O cb05c06dee9f94697163725c841818b6 [1,0,0,0,0,0|3,0,0]=4 52 B26R3.45143 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(cn3)C=O 7ff1eee65ecce21256adf632d409d03e [1,0,0,0,0,0|2,0,0]=3 53 B26R3.45143 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(cn3)CO 9588447e286f07d3dbb0d43af714d348 [1,0,0,0,0,0|2,0,1]=4 54 B26R3.45143 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(nn3)C=O 888d458814f893ea2e2e52366e95eb1a [1,0,0,0,0,0|3,0,0]=4 55 B26R3.45143 N#Cc1cc(ccc1OCc2ccccc2)c3cnc(cn3)C=O f6e819fffbbca36b7a2fe5a3bb5bd59e [1,0,0,0,0,0|3,0,0]=4 56 B26R3.45143 N#Cc1cc(ccc1OCc2ccccc2)c3ncc(cn3)C=O 5b903888a8092d32b959d0ee788d5aea [1,0,0,0,0,0|1,0,0]=2 57 B26R3.45143 N#Cc1cc(ccc1OCc2ccccc2)c3ncc(cn3)CBr 47ba02dbf4005fb7cf7d55bba576043a [1,0,0,0,0,0|2,0,1]=4 58 B26R3.45143 N#Cc1cc(ccc1OCc2ccccc2)c3ncc(cn3)CCl 6268070d3ee324fcdc28eb4275ca1922 [1,0,0,0,0,0|2,0,1]=4 59 B26R3.45143 N#Cc1cc(ccc1OCc2ccccc2)c3ncc(cn3)CN 379a18d985785037c95707c3e222dfba [1,0,0,0,0,0|2,0,1]=4 60 B26R3.45143 N#Cc1cc(ccc1OCc2ccccc2)c3ncc(cn3)CO 47d696ac83f4098295930b8345a4c7a4 [1,0,0,0,0,0|1,0,1]=3 61 B26R3.45143 N#Cc1cc(ccc1SCc2ccccc2)c3ccc(cn3)C=O 1d5ef6e64fa763414a9155133f82b37c [1,0,0,0,0,0|2,1,0]=4 62 B26R3.45143 N#Cc1cnc(nc1)c2ccc(c(c2)C#N)OCc3ccccc3 1fce92236ff15930254514fc06d9285b [1,0,0,0,0,0|2,0,1]=4 63 B26R3.45143 O=Cc1cnc(nc1)c2ccc(c(c2)C=O)OCc3ccccc3 ee84dae0bbdb3af84c347f30a35a99b3 [1,0,0,0,0,0|2,0,1]=4 64 B26R3.45143 O=Cc1cnc(nc1)c2ccc(c(c2)CO)OCc3ccccc3 69e169d9d5ce761faa74f58b222d8968 [1,0,0,0,0,0|2,0,1]=4 65 B26R3.4107506 CC(=O)c1cnc(nc1)c2ccc(c(c2)C)OCc3ccccc3 6d39d97e3aa546fc89275a45f365a460 [1,0,0,0,0,0|2,0,1]=4 66 B26R3.4107506 CC(=O)c1cnc(nc1)c2ccc(c(c2)Cl)OCc3ccccc3 b348eb038864f00dc379e77e62385b26 [1,0,0,0,0,0|3,0,0]=4 67 B26R3.4107506 CC(=O)c1cnc(nc1)c2ccc(c(c2)F)OCc3ccccc3 e7ee23d1e40118ec3198a3853918d30e [1,0,0,0,0,0|3,0,0]=4 68 B26R3.4107506 Cc1cc(ccc1OCc2ccccc2)c3ccc(cn3)C(=O)O 778c961558865058492e564871b5a1c5 [1,0,0,0,0,0|2,0,1]=4 69 B26R3.4107506 Cc1cc(ccc1OCc2ccccc2)c3ncc(cn3)C(=O)O 8b5f0cf4b362b7bb911fa25d9284250c [1,0,0,0,0,0|1,0,1]=3 70 B26R3.4107506 Cc1cc(cnc1OCc2ccccc2)c3ncc(cn3)C(=O)O e8c14ff63ec4a21f5a17b5fd3f6021c1 [1,0,0,0,0,0|2,0,1]=4 71 B26R3.4107506 NC(=O)c1cnc(nc1)c2ccc(c(c2)Cl)OCc3ccccc3 ba4c01714ecc6cede592e653b64a575d [1,0,0,0,0,0|3,0,0]=4 72 B26R3.4107506 NC(=O)c1cnc(nc1)c2ccc(c(c2)F)OCc3ccccc3 1641e30a66834bc7db0cf133165d2ca0 [1,0,0,0,0,0|3,0,0]=4 73 B26R3.4107506 O=C(O)c1ccc(nc1)c2ccc(c(c2)Cl)OCc3ccccc3 798c897ab5b3522eada9fddfb426702d [1,0,0,0,0,0|3,0,0]=4 74 B26R3.4107506 O=C(O)c1ccc(nc1)c2ccc(c(c2)F)OCc3ccccc3 7f6608ef14edab41585234ee14894d20 [1,0,0,0,0,0|3,0,0]=4 75 B26R3.4107506 O=C(O)c1cnc(nc1)c2ccc(c(c2)Cl)OCc3ccccc3 3c162987bea4df900f416a5374e70c17 [1,0,0,0,0,0|2,0,0]=3 76 B26R3.4107506 O=C(O)c1cnc(nc1)c2ccc(c(c2)F)OCc3ccccc3 f9f7700b4dd47712a2f667fdb3499e9f [1,0,0,0,0,0|2,0,0]=3 77 B26R3.4107506 O=C(O)c1cnc(nc1)c2cnc(c(c2)Cl)OCc3ccccc3 eef14d9478f35ca8259202534a8cf54e [1,0,0,0,0,0|3,0,0]=4 78 B26R3.4107506 O=C(O)c1cnc(nc1)c2cnc(c(c2)F)OCc3ccccc3 b675d297305b297a9c159835a58be835 [1,0,0,0,0,0|3,0,0]=4 79 B28R3.755030 CCC(=O)c1ccc(nc1)c2ccc(c(c2)C#N)OCc3ccccc3 a8771e9c7f22029f056165fb42f98a6e [0,1,0,0,0,0|3,0,0]=4 80 B28R3.755030 CCc1cc(ccc1OCc2ccccc2)c3ncc(cn3)C(=O)OC b548e86244c4b52d18ff7dd5ad91e1e2 [0,1,0,0,0,0|2,0,1]=4 81 B28R3.755030 CNC(=O)c1ccc(nc1)c2ccc(c(c2)C#N)OCc3ccccc3 30682255d2377e7a409cc962fcb53519 [0,1,0,0,0,0|3,0,0]=4 82 B28R3.755030 CNC(=O)c1cnc(nc1)c2ccc(c(c2)C#N)OCc3ccccc3 c5a70a8f9c884385a5fe8317db10f69c [0,1,0,0,0,0|2,0,0]=3 83 B28R3.755030 COC(=O)c1ccc(cc1)c2ccc(c(c2)C#N)OCc3ccccc3 6de95c993d2a0f8e632903cf1da79983 [0,1,0,0,0,0|3,0,0]=4 84 B28R3.755030 COC(=O)c1ccc(nc1)c2ccc(c(c2)C#N)OCc3ccccc3 100810ce3b233843a972618be3872ab1 [0,1,0,0,0,0|2,0,0]=3 85 B28R3.755030 COC(=O)c1ccc(nn1)c2ccc(c(c2)C#N)OCc3ccccc3 ad33b40cad9f151566ec53766d85f134 [0,1,0,0,0,0|3,0,0]=4 86 B28R3.755030 COC(=O)c1cnc(cn1)c2ccc(c(c2)C#N)OCc3ccccc3 3fdda6855531eb9e9a8d411e8fa8a490 [0,1,0,0,0,0|3,0,0]=4 87 B28R3.755030 COC(=O)c1cnc(nc1)c2ccc(c(c2)C#N)OCc3ccccc3 2cd6a838f4121018a14cc2e26c2457f5 [0,1,0,0,0,0|1,0,0]=2 88 B28R3.755030 COC(=O)c1cnc(nc1)c2ccc(c(c2)C=O)OCc3ccccc3 9026cc0ea3fbcb09d18cd8cb4325329a [0,1,0,0,0,0|2,0,1]=4 89 B28R3.755030 COC(=O)c1cnc(nc1)c2ccc(c(c2)CO)OCc3ccccc3 49e861eae6c17c9ab3e7881a665bfe46 [0,1,0,0,0,0|2,0,1]=4 90 B28R3.755030 COC(=O)c1cnc(nc1)c2ccc(c(c2)OC)OCc3ccccc3 e375acfb04f7c75a727f812b77a65b97 [0,1,0,0,0,0|3,0,0]=4 91 B28R3.755030 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(cc3)C(=O)CO b21d6125d8026a5cb9e93191d87fad3c [0,1,0,0,0,0|3,0,0]=4 92 B28R3.755030 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(cc3)C(=O)NO db41c6f218adc2c1c88785cd8169926f [0,1,0,0,0,0|3,0,0]=4 93 B28R3.755030 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(cc3)C(=O)ON 2d7082e260c30f9d2971261eff938e64 [0,1,0,0,0,0|3,0,0]=4 94 B28R3.755030 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(cn3)C(=O)CBr 821b6eb45d3f0b8ec0c1b9b5f4c55512 [0,1,0,0,0,0|3,0,0]=4 95 B28R3.755030 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(cn3)C(=O)CCl 0faba8be39ff39501b24a7d1b6d06a76 [0,1,0,0,0,0|3,0,0]=4 96 B28R3.755030 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(cn3)C(=O)NO 46f900cd945bb3607179918afcea10da [0,1,0,0,0,0|2,0,0]=3 97 B28R3.755030 N#Cc1cc(ccc1OCc2ccccc2)c3ncc(cn3)C(=O)CBr 24e8f8cde50355902938b4e2ad19bd4e [0,1,0,0,0,0|2,0,0]=3 98 B28R3.755031 CS(=O)(=O)c1cnc(nc1)c2ccc(c(c2)C#N)OCc3ccccc3 3628b58ab5bf0b5c39f41bd0ee22cf04 [0,1,0,0,0,0|2,0,1]=4 99 B28R3.755031 N#Cc1cc(ccc1OCc2ccccc2)c3ncc(cn3)S(=O)(=O)N 6f9f8fa1794e8dde7ca7424fa459a5ce [0,1,0,0,0,0|2,0,1]=4 100 B28R3.755034 CC(=O)c1cnc(c(c1)C)c2ccc(c(c2)C#N)OCc3ccccc3 72380978d847ad2a25c5a6c96094c541 [0,1,0,0,0,0|3,0,0]=4 101 B28R3.755034 Cc1cc(ccc1c2ccc(c(c2)C#N)OCc3ccccc3)C(=O)O 13cf4e860f437d39bf7e219731b4df40 [0,1,0,0,0,0|3,0,0]=4 102 B28R3.755034 Cc1cc(cnc1c2ccc(c(c2)C#N)OCc3ccccc3)C(=O)O 6744d6fa0e0db15f5231cb241fe5d9d3 [0,1,0,0,0,0|2,0,0]=3 103 B28R3.755034 Cc1nc(cnc1c2ccc(c(c2)C#N)OCc3ccccc3)C(=O)O 3c6dd33dff5d60146b7901fc5a2b7897 [0,1,0,0,0,0|3,0,0]=4 104 B28R3.755034 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(cc3F)C(=O)O 8833012569e6f3f6ee86c102ec0a9f88 [0,1,0,0,0,0|3,0,0]=4 105 B28R3.755034 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(cc3N)C(=O)O 93ee4a52d2c9386801f13180e0d25490 [0,1,0,0,0,0|3,0,0]=4 106 B28R3.755034 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(cc3O)C(=O)O cd6658fbd324e5f4afda9f7653c6677a [0,1,0,0,0,0|3,0,0]=4 107 B28R3.755034 N#Cc1cc(ccc1OCc2ccccc2)c3ncc(cc3F)C(=O)N b910656b1fde9c06d04d829437ef23e4 [0,1,0,0,0,0|3,0,0]=4 108 B28R3.755034 N#Cc1cc(ccc1OCc2ccccc2)c3ncc(cc3F)C(=O)O d53ddd312e2ac6a973611b9e4bcb3684 [0,1,0,0,0,0|2,0,0]=3 109 B28R3.755034 N#Cc1cc(ccc1OCc2ccccc2)c3ncc(cc3N)C(=O)O 9adbd5dbc41c421c932b2de0935958cf [0,1,0,0,0,0|2,0,0]=3 110 B28R3.755034 N#Cc1cc(ccc1OCc2ccccc2)c3ncc(cc3O)C(=O)O 2da9fb945b1e54ff8d135da3f34896bd [0,1,0,0,0,0|2,0,0]=3 111 B28R3.755042 CC(=O)c1ccc(nc1C)c2ccc(c(c2)C#N)OCc3ccccc3 e7fa156fd0e9353dc690105827991b9c [0,1,0,0,0,0|3,0,0]=4 112 B28R3.755042 CC(=O)c1ccc(nc1F)c2ccc(c(c2)C#N)OCc3ccccc3 a91bc871cd5130673797f78a881a31d6 [0,1,0,0,0,0|3,0,0]=4 113 B28R3.755042 CC(=O)c1ccc(nc1N)c2ccc(c(c2)C#N)OCc3ccccc3 df9e614319796cf071da32ae3ad21842 [0,1,0,0,0,0|3,0,0]=4 114 B28R3.755042 CC(=O)c1ccc(nc1O)c2ccc(c(c2)C#N)OCc3ccccc3 8a4e2fc00fecde9532296e78e9e6a740 [0,1,0,0,0,0|3,0,0]=4 115 B28R3.755042 CC(=O)c1cnc(cc1C)c2ccc(c(c2)C#N)OCc3ccccc3 7f6a826878a9f904dc5cb4a6386aced5 [0,1,0,0,0,0|3,0,0]=4 116 B28R3.755042 CC(=O)c1cnc(cc1O)c2ccc(c(c2)C#N)OCc3ccccc3 6d40a244d3b504494481f96ae25a5d22 [0,1,0,0,0,0|3,0,0]=4 117 B28R3.755042 Cc1cc(ccc1C(=O)O)c2ccc(c(c2)C#N)OCc3ccccc3 ce98b9e4588c83337ebc712420e1fd4f [0,1,0,0,0,0|3,0,0]=4 118 B28R3.755042 Cc1cc(ncc1C(=O)N)c2ccc(c(c2)C#N)OCc3ccccc3 c90b1a0b08df81f2456355226d36c3eb [0,1,0,0,0,0|3,0,0]=4 119 B28R3.755042 Cc1cc(ncc1C(=O)O)c2ccc(c(c2)C#N)OCc3ccccc3 a76fb9f571567ddabbb820e7bab8e8e9 [0,1,0,0,0,0|2,0,0]=3 120 B28R3.755042 Cc1nc(ccc1C(=O)O)c2ccc(c(c2)C#N)OCc3ccccc3 d1a36d3d54f9c8d3b35c35992e70707c [0,1,0,0,0,0|2,0,0]=3 121 B28R3.755042 Cc1nc(ncc1C(=O)O)c2ccc(c(c2)C#N)OCc3ccccc3 db956d941764d30490ea65e8df75dddf [0,1,0,0,0,0|1,0,0]=2 122 B28R3.755042 Cc1nc(ncc1C(=O)O)c2ccc(c(c2)C=O)OCc3ccccc3 8157be2bf2c3436795ceb5cd7da00a1d [0,1,0,0,0,0|2,0,1]=4 123 B28R3.755042 N#Cc1cc(ccc1OCc2ccccc2)c3cc(c(cn3)C(=O)O)F cf6008c869b8e89573c2cc1d7b86bf7e [0,1,0,0,0,0|2,0,0]=3 124 B28R3.755042 N#Cc1cc(ccc1OCc2ccccc2)c3cc(c(cn3)C(=O)O)N 546ffaf22864ae1fc7498a1c19eb4f4c [0,1,0,0,0,0|2,0,0]=3 125 B28R3.755042 N#Cc1cc(ccc1OCc2ccccc2)c3cc(c(cn3)C(=O)O)O c0417fa8594e75047e862b95935419ac [0,1,0,0,0,0|2,0,0]=3 126 B28R3.755042 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(c(c3)Cl)C(=O)O 2475163492ada37a90d7ede6861ae5ee [0,1,0,0,0,0|3,0,0]=4 127 B28R3.755042 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(c(c3)F)C(=O)O abe0d2ac226d4106735474249fa26fa1 [0,1,0,0,0,0|3,0,0]=4 128 B28R3.755042 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(c(c3)N)C(=O)O 1b598f6ad47682be2f00018ec035e8d7 [0,1,0,0,0,0|3,0,0]=4 129 B28R3.755042 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(c(c3)O)C(=O)O 84a2bddb3d09fcbc5b5d32d9332992f7 [0,1,0,0,0,0|3,0,0]=4 130 B28R3.755042 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(c(c3)S)C(=O)O f072d2f39b9ea21d4b3522a0082ab8c6 [0,1,0,0,0,0|3,0,0]=4 131 B28R3.755042 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(c(n3)F)C(=O)N c6a247c05c7be82b0db1bfe9bde6d05f [0,1,0,0,0,0|3,0,0]=4 132 B28R3.755042 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(c(n3)F)C(=O)O e4e26a7da48f2affe90815319baed1e4 [0,1,0,0,0,0|2,0,0]=3 133 B28R3.755042 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(c(n3)N)C(=O)N c74e73ea4a46e48a4952ee96b827dd1a [0,1,0,0,0,0|3,0,0]=4 134 B28R3.755042 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(c(n3)N)C(=O)O 6edc597a202b85f4e7a647a8ec0f0902 [0,1,0,0,0,0|2,0,0]=3 135 B28R3.755042 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(c(n3)O)C(=O)O 13b95c3d995ac581206478304f76e94a [0,1,0,0,0,0|2,0,0]=3 136 B28R3.755042 N#Cc1cc(ccc1OCc2ccccc2)c3cnc(c(n3)N)C(=O)O ccca005aa637c3bf24854e4c5c295a12 [0,1,0,0,0,0|3,0,0]=4 137 B28R3.755042 Nc1nc(ncc1C(=O)O)c2ccc(c(c2)C=O)OCc3ccccc3 deb41c1cb203d70605dba403ad618959 [0,1,0,0,0,0|2,0,1]=4 138 B28R3.5467288 COc1cc(cc(c1OCc2ccccc2)Cl)c3ncc(cn3)C(=O)O ddf8e43f68faf2c9f1f04bad7539ac6f [0,1,0,0,0,0|3,0,0]=4 139 B28R3.5467288 O=Cc1cc(cc(c1OCc2ccccc2)F)c3ncc(cn3)C(=O)O 8b7f9c0573f9a56ae16f72ee0d10a453 [0,1,0,0,0,0|2,0,1]=4 140 B28R3.5921361 CC(C)c1cc(ccc1OCc2ccccc2)c3ncc(cn3)C(=O)O 635585d500ba28cde4721f6fcd8296d5 [0,1,0,0,0,0|2,0,1]=4 141 B28R3.5921361 O=C(O)c1cnc(nc1)c2ccc(c(c2)[N+](=O)[O-])OCc3ccccc3 c37665366630e9ac85cfa89a80069ba7 [0,1,0,0,0,0|3,0,0]=4 142 B26R3.925624 COc1cc(ccc1Oc2ccccc2)c3ncc(cn3)C(=O)O 701a5f36776e9a83a22a30a570015ff7 [0,0,0,0,1,0|3,0,0]=4 143 B26R3.925624 N#Cc1cc(ccc1Oc2ccccc2)c3ccc(cc3)C(=O)O 1a88530ee5b213adac353f4d735fb105 [0,0,0,0,1,0|3,0,0]=4 144 B26R3.1296364 CC(=O)c1cc(no1)c2ccc(c(c2)C#N)OCc3ccccc3 8badeb9e24cfe266ee2368bf0278cdac [0,0,0,0,1,0|3,0,0]=4 145 B26R3.1296364 CC(=O)c1cnc(s1)c2ccc(c(c2)C#N)OCc3ccccc3 0e06d6da44d2dc7ec08da4ecb7368796 [0,0,0,0,1,0|3,0,0]=4 146 B26R3.1296364 CC(=O)c1csc(c1)c2ccc(c(c2)C#N)OCc3ccccc3 c2e3c7c4876d6266ba7e5c6b414f8186 [0,0,0,0,1,0|3,0,0]=4 147 B26R3.1296364 CC(=O)c1csc(n1)c2ccc(c(c2)C#N)OCc3ccccc3 dca62af913713c9609031863f0997ff9 [0,0,0,0,1,0|3,0,0]=4 148 B26R3.1296364 CC(=O)n1cnc(c1)c2ccc(c(c2)C#N)OCc3ccccc3 95fccca22ec3ba77cd24292098a03bf0 [0,0,0,0,1,0|3,0,0]=4 149 B26R3.1296364 N#Cc1cc(ccc1OCc2ccccc2)c3c[nH]c(c3)C(=O)O 1a9de0dc8416bf7a6a08179565ce9afd [0,0,0,0,1,0|3,0,0]=4 150 B26R3.1296364 N#Cc1cc(ccc1OCc2ccccc2)c3c[nH]c(n3)C(=O)O 5404e84b64c5368f3d60338a41142188 [0,0,0,0,1,0|3,0,0]=4 151 B26R3.1296364 N#Cc1cc(ccc1OCc2ccccc2)c3cc(c[nH]3)C(=O)O 44c1bf814c408ce3d97bd0af4c764fb6 [0,0,0,0,1,0|1,0,1]=3 152 B26R3.1296364 N#Cc1cc(ccc1OCc2ccccc2)c3cc(co3)C(=O)N b5f1d72a82ee943f6056daded4f22282 [0,0,0,0,1,0|3,0,0]=4 153 B26R3.1296364 N#Cc1cc(ccc1OCc2ccccc2)c3cc(co3)C(=O)O e4f61568b6dabdf284299ef6a2290de5 [0,0,0,0,1,0|2,0,0]=3 154 B26R3.1296364 N#Cc1cc(ccc1OCc2ccccc2)c3cc(cs3)C(=O)N b148b9457bf137f4038d55a0df5495b7 [0,0,0,0,1,0|3,0,0]=4 155 B26R3.1296364 N#Cc1cc(ccc1OCc2ccccc2)c3cc(cs3)C(=O)O 6f12982315a3c27f3dc473a331f403e5 [0,0,0,0,1,0|2,0,0]=3 156 B26R3.1296364 N#Cc1cc(ccc1OCc2ccccc2)c3cc(n[nH]3)C(=O)O 76d84b9f25c01584e6c19a2bd90b9cbd [0,0,0,0,1,0|2,0,1]=4 157 B26R3.1296364 N#Cc1cc(ccc1OCc2ccccc2)c3cc(no3)C(=O)O d65e2ea2f37dc8b32b961c3e7a3e60ac [0,0,0,0,1,0|3,0,0]=4 158 B26R3.1296364 N#Cc1cc(ccc1OCc2ccccc2)c3cc(ns3)C(=O)O dc83f14bee552ed3b789d4934dbde727 [0,0,0,0,1,0|3,0,0]=4 159 B26R3.1296364 N#Cc1cc(ccc1OCc2ccccc2)c3cc(on3)C(=O)N 63ec870ae0164e3881a41cdd151b69e0 [0,0,0,0,1,0|3,0,0]=4 160 B26R3.1296364 N#Cc1cc(ccc1OCc2ccccc2)c3cc(on3)C(=O)O bc596896f8cd93ffb9578ff8e437e082 [0,0,0,0,1,0|2,0,0]=3 161 B26R3.1296364 N#Cc1cc(ccc1OCc2ccccc2)c3cc(sn3)C(=O)N f98b492be7965556dcd216890e7d912e [0,0,0,0,1,0|3,0,0]=4 162 B26R3.1296364 N#Cc1cc(ccc1OCc2ccccc2)c3cc(sn3)C(=O)O 41b907f448a9d4f5bb6c77d728d75e9b [0,0,0,0,1,0|2,0,0]=3 163 B26R3.1296364 N#Cc1cc(ccc1OCc2ccccc2)c3ccc([nH]3)C(=O)O 8771c3f634476da569b72e5c708a56de [0,0,0,0,1,0|2,0,1]=4 164 B26R3.1296364 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(o3)C(=O)O cf80f67489e2e1dcc0b7cf0b084b2d14 [0,0,0,0,1,0|3,0,0]=4 165 B26R3.1296364 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(s3)C(=O)O 8bf13a46fb6a28fe706fe29aab394329 [0,0,0,0,1,0|3,0,0]=4 166 B26R3.1296364 N#Cc1cc(ccc1OCc2ccccc2)c3coc(c3)C(=O)O 325f8ca8841df581e522f96b81eb69f3 [0,0,0,0,1,0|3,0,0]=4 167 B26R3.1296364 N#Cc1cc(ccc1OCc2ccccc2)c3coc(n3)C(=O)O 39e81dbbc68dde6793e900df1d7d5a05 [0,0,0,0,1,0|3,0,0]=4 168 B26R3.1296364 N#Cc1cc(ccc1OCc2ccccc2)c3csc(c3)C(=O)O 1b13d428ec29d0b22ce4d8582a52bde9 [0,0,0,0,1,0|3,0,0]=4 169 B26R3.1296364 N#Cc1cc(ccc1OCc2ccccc2)c3csc(n3)C(=O)O aea3f8ab48bd3d8a9946178fb0bd253a [0,0,0,0,1,0|3,0,0]=4 170 B26R3.1296364 N#Cc1cc(ccc1OCc2ccccc2)c3n[nH]c(n3)C(=O)N dbea3e8f9dcb5261c498de5aecc1cce5 [0,0,0,0,1,0|3,0,0]=4 171 B26R3.1296364 N#Cc1cc(ccc1OCc2ccccc2)c3nc(co3)C(=O)N ea4192624989d13c9ade26830b2b90db [0,0,0,0,1,0|3,0,0]=4 172 B26R3.1296364 N#Cc1cc(ccc1OCc2ccccc2)c3nc(co3)C(=O)O 68b86cbde88bd5b61d487748672d2505 [0,0,0,0,1,0|2,0,0]=3 173 B26R3.1296364 N#Cc1cc(ccc1OCc2ccccc2)c3nc(cs3)C(=O)N 92241bc946312ed10a53a30f78d95859 [0,0,0,0,1,0|3,0,0]=4 174 B26R3.1296364 N#Cc1cc(ccc1OCc2ccccc2)c3nc(cs3)C(=O)O 3761916b5da1a988b76cee3dc6b2739c [0,0,0,0,1,0|2,0,0]=3 175 B26R3.1296364 N#Cc1cc(ccc1OCc2ccccc2)c3nc(n[nH]3)C(=O)O 0fb0f2122bbcbb0d70b8285601f138d7 [0,0,0,0,1,0|2,0,1]=4 176 B26R3.1296364 N#Cc1cc(ccc1OCc2ccccc2)c3ncc([nH]3)C(=O)O 002ead4d5f2cdd6371c1eed24f238e4d [0,0,0,0,1,0|1,0,1]=3 177 B26R3.1296364 N#Cc1cc(ccc1OCc2ccccc2)c3ncc(o3)C(=O)N eb4579aa7e906cfc146ae2534e38124b [0,0,0,0,1,0|3,0,0]=4 178 B26R3.1296364 N#Cc1cc(ccc1OCc2ccccc2)c3ncc(o3)C(=O)O 7a93a7f77b22535e677d70732ffc26ea [0,0,0,0,1,0|2,0,0]=3 179 B26R3.1296364 N#Cc1cc(ccc1OCc2ccccc2)c3ncc(s3)C(=O)N 74fd2d51c94df1565203aac3d678ee71 [0,0,0,0,1,0|3,0,0]=4 180 B26R3.1296364 N#Cc1cc(ccc1OCc2ccccc2)c3ncc(s3)C(=O)O b4518256b3c22bb4268dc8130c6ba503 [0,0,0,0,1,0|2,0,0]=3 181 B26R3.1296364 N#Cc1cc(ccc1OCc2ccccc2)c3nnc(s3)C(=O)O 73cfa25e6c2061a7922c8124ea305ba9 [0,0,0,0,1,0|3,0,0]=4 182 B26R3.1296364 N#Cc1cc(ccc1SCc2ccccc2)c3cc(co3)C(=O)O d68e9417f1eabdac07b025a7dfe50402 [0,0,0,0,1,0|2,1,0]=4 183 B28R3.755033 CC(=O)Nc1ccc(nc1)c2ccc(c(c2)C#N)OCc3ccccc3 db7392980957bb8ed989e1634d717996 [0,0,0,0,0,1|3,0,0]=4 184 B28R3.755033 CCc1cc(ccc1OCc2ccccc2)c3ncc(cn3)CC(=O)O 67cb448c9b22339ce6a44900c4a83d7c [0,0,0,0,0,1|2,0,1]=4 185 B28R3.755033 COc1cc(ccc1OCc2ccccc2)c3ncc(cn3)CC(=O)O b072baa35fe79814952c45bc0d588405 [0,0,0,0,0,1|3,0,0]=4 186 B28R3.755033 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(cc3)CC(=O)O 9afc3471cca3e4621cba43262c48bf19 [0,0,0,0,0,1|3,0,0]=4 187 B28R3.755033 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(cn3)CC(=O)N 5fa93631ce88926d40805aac03041ebd [0,0,0,0,0,1|3,0,0]=4 188 B28R3.755033 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(cn3)CC(=O)O 9f23509c6c1d30d1bc4b430a78558df0 [0,0,0,0,0,1|2,0,0]=3 189 B28R3.755033 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(nn3)CC(=O)O 74bafee0ec242494b0108dc483631a33 [0,0,0,0,0,1|3,0,0]=4 190 B28R3.755033 N#Cc1cc(ccc1OCc2ccccc2)c3ncc(cn3)CC(=O)O 2551735bf604d7df63a4b71115b7b9a0 [0,0,0,0,0,1|1,0,0]=2 191 B28R3.755033 O=C(O)Cc1cnc(nc1)c2ccc(c(c2)CO)OCc3ccccc3 add4ab7d56c9e5730e39b85109a48be6 [0,0,0,0,0,1|2,0,1]=4 192 B28R3.755033 O=Cc1cc(ccc1OCc2ccccc2)c3ncc(cn3)CC(=O)O 449a32f20edee9ea8e1d42875807966b [0,0,0,0,0,1|2,0,1]=4 193 B28R3.95607535 CC(=O)c1ccc(nc1)Nc2ccc(c(c2)C#N)OCc3ccccc3 83fabc87fbcf21a2f4c52ee67cf5b904 [0,0,0,0,0,1|3,0,0]=4 194 B28R3.95607535 CCc1cc(ccc1OCc2ccccc2)Nc3ncc(cn3)C(=O)O a9d0cc39e91a7a52e3fee80ef7b06efb [0,0,0,0,0,1|2,0,1]=4 195 B28R3.95607535 COc1cc(ccc1OCc2ccccc2)Nc3ncc(cn3)C(=O)O bc247fe9f6ce936f89368aa7a5e7f97e [0,0,0,0,0,1|3,0,0]=4 196 B28R3.95607535 N#Cc1cc(ccc1OCc2ccccc2)Nc3ccc(cc3)C(=O)O c6af9ab374aa99318be996c8c705ae26 [0,0,0,0,0,1|3,0,0]=4 197 B28R3.95607535 N#Cc1cc(ccc1OCc2ccccc2)Nc3ccc(cn3)C(=O)N b2d0c6e77d60eb30a48ae3a954068149 [0,0,0,0,0,1|3,0,0]=4 198 B28R3.95607535 N#Cc1cc(ccc1OCc2ccccc2)Nc3ccc(cn3)C(=O)O efff93897fe7be92e5dff7f9fd4b2852 [0,0,0,0,0,1|2,0,0]=3 199 B28R3.95607535 N#Cc1cc(ccc1OCc2ccccc2)Nc3ccc(nn3)C(=O)O a195a55408d1496addce6e6753b040ed [0,0,0,0,0,1|3,0,0]=4 200 B28R3.95607535 N#Cc1cc(ccc1OCc2ccccc2)Nc3cnc(cn3)C(=O)O 59b8ef307b61ba16556767185a1e2c8a [0,0,0,0,0,1|3,0,0]=4 201 B28R3.95607535 N#Cc1cc(ccc1OCc2ccccc2)Nc3ncc(cn3)C(=O)O 57820590019ddd05949eebaf5d30cd63 [0,0,0,0,0,1|1,0,0]=2 202 B28R3.95607535 N#Cc1cc(ccc1OCc2ccccc2)Nc3ncc(cn3)[N+](=O)[O-] 683ed0281f14ab077ab249a6b59bfd20 [0,0,0,0,0,1|2,0,1]=4 203 B28R3.95607535 N#Cc1cc(ccc1SCc2ccccc2)Nc3ccc(cn3)C(=O)O 8b7255188ad3baf1c3da1b348421eb36 [0,0,0,0,0,1|2,1,0]=4 204 B28R3.95607535 O=C(O)c1cnc(nc1)Nc2ccc(c(c2)CO)OCc3ccccc3 c7528b03efccfcbd95a4737c9f9b9305 [0,0,0,0,0,1|2,0,1]=4 205 B28R3.95607535 O=Cc1cc(ccc1OCc2ccccc2)Nc3ncc(cn3)C(=O)O 21fb79f2dd694c481aa0339bb7657ac0 [0,0,0,0,0,1|2,0,1]=4 206 B25R3.2756 Cc1cc(ccc1OCc2ccccc2)c3ncc(cn3)C=O a27a325e11e8c1dbb11a78d4501e7c93 [2,0,0,0,0,0|1,0,1]=4 207 B25R3.2756 O=Cc1cnc(nc1)c2ccc(c(c2)Cl)OCc3ccccc3 07eb43c98a9cd038ba2c3064822a63ce [2,0,0,0,0,0|2,0,0]=4 208 B25R3.2756 O=Cc1cnc(nc1)c2ccc(c(c2)F)OCc3ccccc3 b2e1666c61fae199a0b49884169bdceb [2,0,0,0,0,0|2,0,0]=4 209 B25R3.146221 Cc1cnc(nc1)c2ccc(c(c2)C#N)OCc3ccccc3 033c76a165135cbf8350d35da1dd0383 [2,0,0,0,0,0|1,0,1]=4 210 B25R3.146221 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(cn3)O 9e32a896191aad2018df89c5c80cf188 [2,0,0,0,0,0|2,0,0]=4 211 B25R3.146221 N#Cc1cc(ccc1OCc2ccccc2)c3ncc(cn3)F c449a640dfef7f118d065c0ae6fa7295 [2,0,0,0,0,0|2,0,0]=4 212 B25R3.146221 N#Cc1cc(ccc1OCc2ccccc2)c3ncc(cn3)N e35e39d0d1d35a3be113fd8af34dbbf6 [2,0,0,0,0,0|2,0,0]=4 213 B25R3.146221 N#Cc1cc(ccc1OCc2ccccc2)c3ncc(cn3)O 12ba4935e7525a8f737faa5e12cb27b7 [2,0,0,0,0,0|1,0,0]=3 214 B25R3.80845 CC(=O)c1ccc(nc1)c2ccc(cc2)OCc3ccncc3 63b89a85b22c42460d8dfd3eec3a3f25 [2,0,0,0,0,0|2,0,0]=4 215 B25R3.80845 CC(=O)c1cnc(nc1)c2ccc(cc2)OCc3ccccc3 58ba3e038fcac2483c548f671af22e90 [2,0,0,0,0,0|2,0,0]=4 216 B25R3.80845 CC(=O)c1cnc(nc1)c2ccc(cc2)OCc3ccncc3 2461ec7afc49c87da105ba98bcf9f13e [2,0,0,0,0,0|1,0,0]=3 217 B25R3.80845 CC(O)c1cnc(nc1)c2ccc(cc2)OCc3ccncc3 4037ed80d857109f170aa88faf5bc07a [2,0,0,0,0,0|1,0,1]=4 218 B25R3.80845 NC(=O)c1ccc(nc1)c2ccc(cc2)OCc3ccncc3 369754db1724a70f825ca86b533d9502 [2,0,0,0,0,0|2,0,0]=4 219 B25R3.80845 NC(=O)c1cnc(nc1)c2ccc(cc2)OCc3ccncc3 e14cbcd39db98d25ae8206ad4d75f35c [2,0,0,0,0,0|1,0,0]=3 220 B25R3.80845 O=C(O)c1ccc(cc1)c2ccc(cc2)OCc3ccncc3 df9c009301984f9317f7e95dd9302932 [2,0,0,0,0,0|2,0,0]=4 221 B25R3.80845 O=C(O)c1ccc(nc1)c2ccc(cc2)NCc3ccncc3 318de249b90507a117bea858f30e49e1 [2,0,0,0,0,0|2,0,0]=4 222 B25R3.80845 O=C(O)c1ccc(nc1)c2ccc(cc2)OCc3ccccc3 36b6c3813e48e6135408e4480dad512b [2,0,0,0,0,0|2,0,0]=4 223 B25R3.80845 O=C(O)c1ccc(nc1)c2ccc(cc2)OCc3ccncc3 0a94b31d4fec0226a9b78e553cc7c130 [2,0,0,0,0,0|1,0,0]=3 224 B25R3.80845 O=C(O)c1ccc(nn1)c2ccc(cc2)OCc3ccncc3 bec6d1aeb1ed1a44fb8d20cbf76ec4cb [2,0,0,0,0,0|2,0,0]=4 225 B25R3.80845 O=C(O)c1cnc(cn1)c2ccc(cc2)OCc3ccncc3 a3b87ca033c6f5a94599cac82c033d4b [2,0,0,0,0,0|2,0,0]=4 226 B25R3.80845 O=C(O)c1cnc(nc1)c2ccc(cc2)OCc3ccccc3 06e21e99937b7fde47448a52b9a9379e [2,0,0,0,0,0|1,0,0]=3 227 B25R3.80845 O=C(O)c1cnc(nc1)c2ccc(cc2)OCc3ccccn3 feca24eae50e750c4261117ed95a1d21 [2,0,0,0,0,0|2,0,0]=4 228 B25R3.80845 O=C(O)c1cnc(nc1)c2ccc(cc2)OCc3ccncc3 bd4146499ba7186163460a3d26b1fbf1 [2,0,0,0,0,0|0,0,0]=2 229 B25R3.80845 O=C(O)c1cnc(nc1)c2ccc(cc2)SCc3ccccc3 f8b32ac6857a92c35e745faaf312f464 [2,0,0,0,0,0|1,1,0]=4 230 B25R3.80845 O=C(O)c1cnc(nc1)c2ccc(nc2)OCc3ccccc3 bd6a0a87ec5242e43483b6c63d125698 [2,0,0,0,0,0|2,0,0]=4 231 B25R3.80845 O=[N+]([O-])c1cnc(nc1)c2ccc(cc2)OCc3ccncc3 7f8720911b3ed7790c02db3d65548283 [2,0,0,0,0,0|1,0,1]=4 232 B27R3.2122640 COCc1cnc(nc1)c2ccc(c(c2)C#N)OCc3ccccc3 3e9f61df37318dbafc5bc674afcd3b62 [1,1,0,0,0,0|1,0,1]=4 233 B27R3.2122640 N#Cc1cc(ccc1OCc2ccccc2)c3ncc(cn3)CCO 8990cf7c2fa1ad29719520a3553152f5 [1,1,0,0,0,0|1,0,1]=4 234 B27R3.9164617 Cc1cc(ncc1C=O)c2ccc(c(c2)C#N)OCc3ccccc3 c1faa42f4683e9e918e801d30bb29b7f [1,1,0,0,0,0|2,0,0]=4 235 B27R3.9164617 Cc1nc(ccc1C=O)c2ccc(c(c2)C#N)OCc3ccccc3 d3b9c85fb002212072994fcd3093ccb0 [1,1,0,0,0,0|2,0,0]=4 236 B27R3.9164617 N#Cc1cc(ccc1OCc2ccccc2)c3cc(c(cn3)C=O)F 4b0846103bab4705e2dd1992e8232fe4 [1,1,0,0,0,0|2,0,0]=4 237 B27R3.9164617 N#Cc1cc(ccc1OCc2ccccc2)c3cc(c(cn3)C=O)N a42557afea2a20326c1d02328979408b [1,1,0,0,0,0|2,0,0]=4 238 B27R3.9164617 N#Cc1cc(ccc1OCc2ccccc2)c3cc(c(cn3)C=O)O 84c452bf65cb879a0526ef8d5761b9a0 [1,1,0,0,0,0|2,0,0]=4 239 B27R3.9164617 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(c(n3)F)C=O 2bb897044495b97d062ea8ea57bffdcf [1,1,0,0,0,0|2,0,0]=4 240 B27R3.9164617 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(c(n3)N)C=O 23dee73c213a105d9a00f5130fefbebb [1,1,0,0,0,0|2,0,0]=4 241 B27R3.9164617 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(c(n3)O)C=O 7562e589622367282060f1331ac2d385 [1,1,0,0,0,0|2,0,0]=4 242 B27R3.9164617 N#Cc1cc(ccc1OCc2ccccc2)c3ncc(c(n3)N)C=O df63dd75161df5c988615042f7994335 [1,1,0,0,0,0|1,0,0]=3 243 B27R3.9164617 N#Cc1cc(ccc1OCc2ccccc2)c3ncc(c(n3)N)CO cf3dbf71dc5d936b06ba2dc00ed9499e [1,1,0,0,0,0|1,0,1]=4 244 B27R3.75335190 Cc1cc(cnc1c2ccc(c(c2)C#N)OCc3ccccc3)C=O b5545b388d7f02534a3cdcfa484777c5 [1,1,0,0,0,0|2,0,0]=4 245 B27R3.75335190 N#Cc1cc(ccc1OCc2ccccc2)c3ncc(cc3F)C=O e651e62fb4f4c9b8fd7a3a88c0e0f818 [1,1,0,0,0,0|2,0,0]=4 246 B27R3.75335190 N#Cc1cc(ccc1OCc2ccccc2)c3ncc(cc3O)C=O c37d4b22e010db017533b5b6c3e1b52b [1,1,0,0,0,0|2,0,0]=4 247 B27R3.174483 COC(=O)c1cnc(nc1)c2ccc(c(c2)C)OCc3ccccc3 70943804b279b7bc07f79b90a6f2ae5c [1,1,0,0,0,0|1,0,1]=4 248 B27R3.174483 COC(=O)c1cnc(nc1)c2ccc(c(c2)Cl)OCc3ccccc3 11f243a57c1d53d106b1bae48d02ac4a [1,1,0,0,0,0|2,0,0]=4 249 B27R3.174483 COC(=O)c1cnc(nc1)c2ccc(c(c2)F)OCc3ccccc3 f1ba95baf1513a81db19b521fe0bcd1d [1,1,0,0,0,0|2,0,0]=4 250 B27R3.4488654 Cc1nc(ncc1C(=O)O)c2ccc(c(c2)Cl)OCc3ccccc3 18ce49710a823a5e18d6c55f6651d8dd [1,1,0,0,0,0|2,0,0]=4 251 B27R3.4488654 Cc1nc(ncc1C(=O)O)c2ccc(c(c2)F)OCc3ccccc3 34531f919ca58a35c0e40e01a08b74a3 [1,1,0,0,0,0|2,0,0]=4 252 B27R3.4586177 Cc1cc(c(cc1OCc2ccccc2)C)c3ncc(cn3)C(=O)O 3c6b5b06fd0391002f67c8fdb3d8ec8e [1,1,0,0,0,0|1,0,1]=4 253 B27R3.4586177 Cc1cc(c(cc1OCc2ccccc2)Cl)c3ncc(cn3)C(=O)O 18ac8b3ec2c3905348bb62188db3a11f [1,1,0,0,0,0|1,0,1]=4 254 B27R3.4586177 Cc1cc(c(cc1OCc2ccccc2)F)c3ncc(cn3)C(=O)O 54076db1473089beead8379bc1a963a1 [1,1,0,0,0,0|1,0,1]=4 255 B27R3.4586177 Cc1cc(c(cc1c2ncc(cn2)C(=O)O)Cl)OCc3ccccc3 786ca40eb0837cf9d49c9e9c14425508 [1,1,0,0,0,0|2,0,0]=4 256 B27R3.4586177 Cc1cc(c(cc1c2ncc(cn2)C(=O)O)F)OCc3ccccc3 e6caa214643db578389d7259a52725f2 [1,1,0,0,0,0|2,0,0]=4 257 B27R3.4586177 O=C(O)c1cnc(nc1)c2cc(c(cc2Cl)OCc3ccccc3)Cl 6b028f3e04ef7d105c6c6a2a46662764 [1,1,0,0,0,0|2,0,0]=4 258 B27R3.4586177 O=C(O)c1cnc(nc1)c2cc(c(cc2F)OCc3ccccc3)Br 997d5b3f7c662c203a3cf193178a3806 [1,1,0,0,0,0|2,0,0]=4 259 B27R3.4586177 O=C(O)c1cnc(nc1)c2cc(c(cc2F)OCc3ccccc3)Cl 47de7b2e2866e4f646948d4e47a6739f [1,1,0,0,0,0|2,0,0]=4 260 B27R3.4586177 O=C(O)c1cnc(nc1)c2cc(c(cc2F)OCc3ccccc3)F 8aae93e874aa2c5fe49f5c6fd82b3c82 [1,1,0,0,0,0|2,0,0]=4 261 B27R3.6409920 O=C(O)c1cnc(nc1)c2ccc(c(c2)Cl)OCc3ccc(cc3)F 7587383b028ba7137cecea815e1caba7 [1,1,0,0,0,0|2,0,0]=4 262 B27R3.20928965 Cc1c(ccc(c1C)c2ncc(cn2)C(=O)O)OCc3ccccc3 721478018a96cce7e1c34d017b239a0b [1,1,0,0,0,0|1,0,1]=4 263 B27R3.20928965 Cc1c(ccc(c1Cl)OCc2ccccc2)c3ncc(cn3)C(=O)O a86dac56973d9177fa7dd92d1bda9207 [1,1,0,0,0,0|2,0,0]=4 264 B27R3.20928965 Cc1c(ccc(c1F)OCc2ccccc2)c3ncc(cn3)C(=O)O d22d700b4f452219d00ad3cf77e47317 [1,1,0,0,0,0|2,0,0]=4 265 B27R3.20928965 O=C(O)c1cnc(nc1)c2ccc(c(c2Cl)F)OCc3ccccc3 a1ceef72e1d96402a90577298315ad77 [1,1,0,0,0,0|2,0,0]=4 266 B27R3.20928965 O=C(O)c1cnc(nc1)c2ccc(c(c2F)Cl)OCc3ccccc3 bcb73d062cb6a3db75d9aaf7abe07275 [1,1,0,0,0,0|2,0,0]=4 267 B27R3.20928965 O=C(O)c1cnc(nc1)c2ccc(c(c2F)F)OCc3ccccc3 3871b75cdea8c4ed66bb7a990c724104 [1,1,0,0,0,0|2,0,0]=4 268 B27R3.27607961 Cc1cc(ccc1OCc2ccccc2F)c3ncc(cn3)C(=O)O 31c4bd17178a43e984054e82e5e185c5 [1,1,0,0,0,0|1,0,1]=4 269 B27R3.27607961 O=C(O)c1cnc(nc1)c2ccc(c(c2)Cl)OCc3ccccc3Cl 75bd1f9f4c97d10fb62269cfa1508dce [1,1,0,0,0,0|2,0,0]=4 270 B27R3.27607961 O=C(O)c1cnc(nc1)c2ccc(c(c2)Cl)OCc3ccccc3F 74c138c1b3b853c56e4e8cb59824df10 [1,1,0,0,0,0|2,0,0]=4 271 B27R3.37534266 Cc1cc(cc(c1OCc2ccccc2)C)c3ncc(cn3)C(=O)O 1dc64cc4aa0f8410200e2e7c85223049 [1,1,0,0,0,0|1,0,1]=4 272 B27R3.37534266 Cc1cc(cc(c1OCc2ccccc2)Cl)c3ncc(cn3)C(=O)O cda994344f5ca9b5d46f26187c528e78 [1,1,0,0,0,0|1,0,1]=4 273 B27R3.37534266 O=C(O)c1cnc(nc1)c2cc(c(c(c2)Cl)OCc3ccccc3)Cl c9807a11ef8348b9b60184513b8316f5 [1,1,0,0,0,0|2,0,0]=4 274 B27R3.37534266 O=C(O)c1cnc(nc1)c2cc(c(c(c2)Cl)OCc3ccccc3)F 60e03f13e7b1267e474b32157255b2bd [1,1,0,0,0,0|2,0,0]=4 275 B27R3.37534266 O=C(O)c1cnc(nc1)c2cc(c(c(c2)F)OCc3ccccc3)F 5fd48e686eb1b44a330b354cf0ddedac [1,1,0,0,0,0|2,0,0]=4 276 B27R3.39842617 Cc1cc(ccc1OCc2cccc(c2)Cl)c3ncc(cn3)C(=O)O 28669e2ba33d3e13252f6834a9240225 [1,1,0,0,0,0|1,0,1]=4 277 B27R3.39842617 Cc1cccc(c1)COc2ccc(cc2C)c3ncc(cn3)C(=O)O c8594651037605c50f414e99fb8a94c8 [1,1,0,0,0,0|1,0,1]=4 278 B27R3.39842617 O=C(O)c1cnc(nc1)c2ccc(c(c2)Cl)OCc3cccc(c3)Br 75f04a8ae7ca2359685539cd3b0b9f6c [1,1,0,0,0,0|2,0,0]=4 279 B27R3.39842617 O=C(O)c1cnc(nc1)c2ccc(c(c2)Cl)OCc3cccc(c3)Cl 9609e8d70f1581bb194d70d4c5d65626 [1,1,0,0,0,0|2,0,0]=4 280 B27R3.2571746 CC(=O)c1cnc(nc1)c2ccc(c(c2F)C#N)Oc3ccccc3 00de8888c2c75dfb65a041535009e1b6 [0,1,0,0,1,0|2,0,0]=4 281 B27R3.2571746 N#Cc1c(ccc(c1F)c2ccc(cn2)C(=O)O)Oc3ccccc3 2a059e35f2173763e389a0df91ead752 [0,1,0,0,1,0|2,0,0]=4 282 B27R3.2571746 N#Cc1c(ccc(c1F)c2ncc(cn2)C(=O)O)Oc3ccccc3 afc28baa31b78cea4682e2f6052eac33 [0,1,0,0,1,0|1,0,0]=3 283 B27R3.1127637 COC(=O)c1c[nH]c(c1)c2ccc(c(c2)C#N)OCc3ccccc3 29ba03e4dfe24d8ecc05964d9aa5a9b4 [0,1,0,0,1,0|1,0,1]=4 284 B27R3.1127637 COC(=O)c1cc(no1)c2ccc(c(c2)C#N)OCc3ccccc3 b11e238de4d2736760f57470dec30d18 [0,1,0,0,1,0|2,0,0]=4 285 B27R3.1127637 COC(=O)c1cc(ns1)c2ccc(c(c2)C#N)OCc3ccccc3 c8809eee9484fa97b8d219ffa83a17f9 [0,1,0,0,1,0|2,0,0]=4 286 B27R3.1127637 COC(=O)c1cnc([nH]1)c2ccc(c(c2)C#N)OCc3ccccc3 1338e9a220aff3f381608fcee609273f [0,1,0,0,1,0|1,0,1]=4 287 B27R3.1127637 COC(=O)c1cnc(o1)c2ccc(c(c2)C#N)OCc3ccccc3 5fda3b82b31530f07d45ba53258a4536 [0,1,0,0,1,0|2,0,0]=4 288 B27R3.1127637 COC(=O)c1cnc(s1)c2ccc(c(c2)C#N)OCc3ccccc3 56704946bbcab426bdff3e972e6dcb0c [0,1,0,0,1,0|2,0,0]=4 289 B27R3.1127637 COC(=O)c1coc(c1)c2ccc(c(c2)C#N)OCc3ccccc3 219c22ba6d541bcff930723fa46c2ebe [0,1,0,0,1,0|2,0,0]=4 290 B27R3.1127637 COC(=O)c1coc(n1)c2ccc(c(c2)C#N)OCc3ccccc3 3255be142fd73c33685fdf3bda6cf5f4 [0,1,0,0,1,0|2,0,0]=4 291 B27R3.1127637 COC(=O)c1csc(c1)c2ccc(c(c2)C#N)OCc3ccccc3 69423684228056bb4a5a81cf5bd8d9f7 [0,1,0,0,1,0|2,0,0]=4 292 B27R3.1127637 COC(=O)c1csc(n1)c2ccc(c(c2)C#N)OCc3ccccc3 9c4bff4a4d4543e02dd03c3117ffa41f [0,1,0,0,1,0|2,0,0]=4 293 B27R3.1127637 COC(=O)c1nc(n[nH]1)c2ccc(c(c2)C#N)OCc3ccccc3 6744b7a11cd2e0ca534023411fb97296 [0,1,0,0,1,0|2,0,0]=4 294 B27R3.1127641 Cc1c(csc1c2ccc(c(c2)C#N)OCc3ccccc3)C(=O)O 660da8484a4e00a85d5813d228df4823 [0,1,0,0,1,0|2,0,0]=4 295 B27R3.1127641 Cc1c(n[nH]c1C(=O)O)c2ccc(c(c2)C#N)OCc3ccccc3 47a0a0ccf4290931b68b820741b1b427 [0,1,0,0,1,0|2,0,0]=4 296 B27R3.1127641 Cn1c(cnc1c2ccc(c(c2)C#N)OCc3ccccc3)C(=O)O f9f73dc27faa90e7280cfef01acbb9cf [0,1,0,0,1,0|1,0,1]=4 297 B27R3.1127641 N#Cc1cc(ccc1OCc2ccccc2)c3n[nH]c(c3N)C(=O)O 33faed7d8b1d2884b42fc0cc2d8fefe4 [0,1,0,0,1,0|2,0,0]=4 298 B27R3.71958463 Cn1cc(cc1c2ccc(c(c2)C#N)OCc3ccccc3)C(=O)O 502e0a56c10bc2ff9ffe60de200ae503 [0,1,0,0,1,0|1,0,1]=4 299 B27R3.71958463 Cn1cc(nc1c2ccc(c(c2)C#N)OCc3ccccc3)C(=O)O 36fed0930d89df9bdd13a80c3e1a4b58 [0,1,0,0,1,0|1,0,1]=4 300 B27R3.71958464 Cc1[nH]c(nc1C(=O)O)c2ccc(c(c2)C#N)OCc3ccccc3 64cc6c536d514772b70fc4e5ac57c1f4 [0,1,0,0,1,0|1,0,1]=4 301 B27R3.71958464 Cc1nc(oc1C(=O)O)c2ccc(c(c2)C#N)OCc3ccccc3 2b50f13d9ebc60fdc01c6dc97324e133 [0,1,0,0,1,0|2,0,0]=4 302 B27R3.71958464 Cc1nc(sc1C(=O)O)c2ccc(c(c2)C#N)OCc3ccccc3 0bbe0594e25fe8578209a2c2e09899c7 [0,1,0,0,1,0|2,0,0]=4 303 B27R3.71958464 Cc1oc(cc1C(=O)O)c2ccc(c(c2)C#N)OCc3ccccc3 49ad0086abf77fc148b0d33640a69b1e [0,1,0,0,1,0|2,0,0]=4 304 B27R3.71958464 Cc1oc(nc1C(=O)O)c2ccc(c(c2)C#N)OCc3ccccc3 0f7821fa138711a4ef23500f75c04dce [0,1,0,0,1,0|2,0,0]=4 305 B27R3.71958464 Cc1sc(cc1C(=O)O)c2ccc(c(c2)C#N)OCc3ccccc3 e0f8b4a6fbfaed11bf659cf6d3c91605 [0,1,0,0,1,0|2,0,0]=4 306 B27R3.71958464 Cc1sc(nc1C(=O)O)c2ccc(c(c2)C#N)OCc3ccccc3 0799135d35d521a691a2b9245d730d2b [0,1,0,0,1,0|2,0,0]=4 307 B27R3.71958464 Cn1nc(cc1C(=O)O)c2ccc(c(c2)C#N)OCc3ccccc3 bd6bb1d49d2213ab8028d7dcc1c71bc4 [0,1,0,0,1,0|2,0,0]=4 308 B27R3.71958464 Cn1nc(nc1C(=O)O)c2ccc(c(c2)C#N)OCc3ccccc3 82b2b8e4880d9586f3ddde6e6b6cdc76 [0,1,0,0,1,0|2,0,0]=4 309 B27R3.71958464 N#Cc1cc(ccc1OCc2ccccc2)c3nc(c(s3)N)C(=O)O 890955ff7bbc460e7853e4f4f1882e33 [0,1,0,0,1,0|2,0,0]=4 310 B29R3.11815866 Cc1cc(cnc1c2ccc(c(c2)C#N)OCc3ccccc3)CC(=O)O dd8d49ddd37787d691b0681433f32c45 [0,1,0,0,0,1|2,0,0]=4 311 B29R3.11815866 N#Cc1cc(ccc1OCc2ccccc2)c3ncc(cc3F)CC(=O)O 288bee7a8cf8cbc3856b73acab770653 [0,1,0,0,0,1|2,0,0]=4 312 B29R3.11815867 CC(C(=O)O)c1ccc(nc1)c2ccc(c(c2)C#N)OCc3ccccc3 70de0db7f65c37ed71bcf08c2462f4c5 [0,1,0,0,0,1|2,0,0]=4 313 B29R3.11815882 COC(=O)Cc1ccc(nc1)c2ccc(c(c2)C#N)OCc3ccccc3 3552851ebec1dc47ac370240635520f7 [0,1,0,0,0,1|2,0,0]=4 314 B29R3.11815882 COC(=O)Cc1cnc(nc1)c2ccc(c(c2)C#N)OCc3ccccc3 eb2bcd90251a12dca4696706edaec7d0 [0,1,0,0,0,1|1,0,0]=3 315 B29R3.11815883 CC(=O)Nc1cnc(nc1C)c2ccc(c(c2)C#N)OCc3ccccc3 78373c066e98bdd4d4fd4c907237b364 [0,1,0,0,0,1|2,0,0]=4 316 B29R3.153289689 CN(c1ccc(c(c1)C#N)OCc2ccccc2)c3ncc(cn3)C(=O)O 8d974baccd1296a6cbce04793b7f5164 [0,1,0,0,0,1|1,0,0]=3 317 B29R3.153290016 Cc1cc(cnc1Nc2ccc(c(c2)C#N)OCc3ccccc3)C(=O)O 4255c7395163e1d094dd910ca20eba7c [0,1,0,0,0,1|2,0,0]=4 318 B29R3.153290016 N#Cc1cc(ccc1OCc2ccccc2)Nc3ncc(cc3O)C(=O)O c9a8f034925d9eccaf2a44858c06bb79 [0,1,0,0,0,1|2,0,0]=4 319 B29R3.153290024 Cc1cc(ncc1C(=O)O)Nc2ccc(c(c2)C#N)OCc3ccccc3 0246eaa2aa839808f98d108ff7d1d472 [0,1,0,0,0,1|2,0,0]=4 320 B29R3.153290024 N#Cc1cc(ccc1OCc2ccccc2)Nc3ccc(c(n3)F)C(=O)O fabf3983c26f02db41098c3a81bea61b [0,1,0,0,0,1|2,0,0]=4 321 B29R3.153290024 N#Cc1cc(ccc1OCc2ccccc2)Nc3ncc(c(n3)O)C(=O)N 5939defbc8877cee1bd5fb3d4279de8e [0,1,0,0,0,1|2,0,0]=4 322 B29R3.153290024 N#Cc1cc(ccc1OCc2ccccc2)Nc3ncc(c(n3)O)C(=O)O d0640f244baddfb40064706787edbaa1 [0,1,0,0,0,1|1,0,0]=3 323 B29R3.8846661 CCNC(=O)c1cnc(nc1)c2ccc(c(c2)C#N)OCc3ccccc3 cd87e796f7cee98b7d1ea05b7c2db1d1 [0,2,0,0,0,0|2,0,0]=4 324 B29R3.8846661 CCOC(=O)c1ccc(nc1)c2ccc(c(c2)C#N)OCc3ccccc3 63b64fe324b2ac74e4b17f26d72d1fe4 [0,2,0,0,0,0|2,0,0]=4 325 B29R3.8846661 CCOC(=O)c1cnc(nc1)c2ccc(c(c2)C#N)OCc3ccccc3 17fe6faaba16efd1a26e3bbdab31af74 [0,2,0,0,0,0|1,0,0]=3 326 B29R3.8846661 CCOC(=O)c1cnc(nn1)c2ccc(c(c2)C#N)OCc3ccccc3 df832843e1b42d230460daa8f01ef3a1 [0,2,0,0,0,0|2,0,0]=4 327 B29R3.8846661 COCC(=O)c1ccc(nc1)c2ccc(c(c2)C#N)OCc3ccccc3 0e415cf31068af9eda2473bb03ca81a7 [0,2,0,0,0,0|2,0,0]=4 328 B29R3.162386337 COC(=O)c1cnc(c(c1)C)c2ccc(c(c2)C#N)OCc3ccccc3 2f2411620f8e994e984fa285dbd492c3 [0,2,0,0,0,0|2,0,0]=4 329 B29R3.162386337 COC(=O)c1cnc(c(c1)F)c2ccc(c(c2)C#N)OCc3ccccc3 e3bbcc86e6af4e6180d75bb9d3c6648c [0,2,0,0,0,0|2,0,0]=4 330 B29R3.162386337 COC(=O)c1cnc(c(c1)N)c2ccc(c(c2)C#N)OCc3ccccc3 5b20ffe92d5af5285bf175b6e5913938 [0,2,0,0,0,0|2,0,0]=4 331 B29R3.162386337 COC(=O)c1cnc(c(c1)O)c2ccc(c(c2)C#N)OCc3ccccc3 9a3bc2e4e36cb7c26c86d44de6270bac [0,2,0,0,0,0|2,0,0]=4 332 B29R3.162386447 COC(=O)c1ccc(nc1C)c2ccc(c(c2)C#N)OCc3ccccc3 3dafe985c4da5563ffbf504461a44929 [0,2,0,0,0,0|2,0,0]=4 333 B29R3.162386447 COC(=O)c1ccc(nc1F)c2ccc(c(c2)C#N)OCc3ccccc3 a24560da6732bc143fa1305ffae4823e [0,2,0,0,0,0|2,0,0]=4 334 B29R3.162386447 COC(=O)c1ccc(nc1N)c2ccc(c(c2)C#N)OCc3ccccc3 ae11fc8f27d624af30f2f8d408dd543f [0,2,0,0,0,0|2,0,0]=4 335 B29R3.162386447 COC(=O)c1cnc(cc1C)c2ccc(c(c2)C#N)OCc3ccccc3 2dba2372f8906d36f1d266f213167cb9 [0,2,0,0,0,0|2,0,0]=4 336 B29R3.162386447 COC(=O)c1cnc(cc1N)c2ccc(c(c2)C#N)OCc3ccccc3 6b69af2c2fb6db467d36a69034bbec32 [0,2,0,0,0,0|2,0,0]=4 337 B29R3.162386340 COc1cc(cnc1c2ccc(c(c2)C#N)OCc3ccccc3)C(=O)O b79947db66ad463ec0aa531d6992f043 [0,2,0,0,0,0|2,0,0]=4 338 B29R3.162386340 N#Cc1cc(ccc1OCc2ccccc2)c3ncc(cc3C#N)C(=O)O ebadf3d5df730f7139b640a3580997d3 [0,2,0,0,0,0|2,0,0]=4 339 B29R3.162386340 N#Cc1cc(ccc1OCc2ccccc2)c3ncc(cc3C=O)C(=O)O 5be2f78b6ded93bbfd6f0ffdda2e7dae [0,2,0,0,0,0|2,0,0]=4 340 B29R3.162386437 N#Cc1cc(ccc1OCc2ccccc2)c3ncc(c(c3F)N)C(=O)O 0d1dad48f4045531e2c00219c8a91ed7 [0,2,0,0,0,0|2,0,0]=4 341 B29R3.162386450 COc1cc(ncc1C(=O)O)c2ccc(c(c2)C#N)OCc3ccccc3 b81ee5b8eebb2befdc05479537a2136a [0,2,0,0,0,0|2,0,0]=4 342 B29R3.162386450 COc1nc(ccc1C(=O)O)c2ccc(c(c2)C#N)OCc3ccccc3 91bde56cbc5f9560bae2593be3fa9db5 [0,2,0,0,0,0|2,0,0]=4 343 B29R3.162386450 COc1nc(ncc1C(=O)C)c2ccc(c(c2)C#N)OCc3ccccc3 c15c6ba74410d0cea78634ef3745d722 [0,2,0,0,0,0|2,0,0]=4 344 B29R3.162386450 N#Cc1cc(ccc1OCc2ccccc2)c3cc(c(cn3)C(=O)O)C=O 4270d3625821e5e5ff25ee7b9e9924ba [0,2,0,0,0,0|2,0,0]=4 345 B29R3.162386450 N#Cc1cc(ccc1OCc2ccccc2)c3cc(c(cn3)C(=O)O)CO 127ba0499289fa1384acf382401f9ad0 [0,2,0,0,0,0|2,0,0]=4 346 B29R3.965187018 Cc1nc(cc(c1C(=O)O)N)c2ccc(c(c2)C#N)OCc3ccccc3 f12bc668bc117ae0574296e004aebe2a [0,2,0,0,0,0|2,0,0]=4 347 B29R4.96959174 N#Cc1cc(ccc1OCc2ccccc2)c3ccc4c(n3)OC(=O)C4 1d942ba9bf501729abceba742485ccb7 [0,0,0,1,0,1|2,0,0]=4 348 B29R4.96959174 N#Cc1cc(ccc1OCc2ccccc2)c3ncc4c(n3)CC(=O)N4 101ce31130b0dff32e790febd767d6ac [0,0,0,1,0,1|2,0,0]=4 349 B29R4.590592338 N#Cc1cc(ccc1OCc2ccccc2)c3cc4c(cn3)C(=O)OC4 cda4df628e9313a1ad3fb0e1d0060210 [0,1,0,1,0,0|2,0,0]=4 350 B29R4.590592338 N#Cc1cc(ccc1OCc2ccccc2)c3ccc4c(n3)OCC4=O 4c14156c60e4e0fa18999a7fa1d790a2 [0,1,0,1,0,0|2,0,0]=4 351 B29R4.590592338 N#Cc1cc(ccc1OCc2ccccc2)c3ncc4c(=O)[nH][nH]c4n3 a5347d607ef9a787df7e3103d70ccace [0,1,0,1,0,0|2,0,0]=4 352 B25R3.2761 N#Cc1cc(ccc1Oc2ccccc2)c3ccc(cn3)C=O e5890d1d2e4c135c26619e03413e4fe5 [1,0,0,0,1,0|2,0,0]=4 353 B25R3.2148577 N#Cc1cc(ccc1OCc2ccccc2)c3cc(c[nH]3)C=O 607b904c9038df0a29bb9fa5f9436c7e [1,0,0,0,1,0|1,0,1]=4 354 B25R3.2148577 N#Cc1cc(ccc1OCc2ccccc2)c3cc(co3)C=O 470da0cc80fcbc923106170322d9b1c9 [1,0,0,0,1,0|2,0,0]=4 355 B25R3.2148577 N#Cc1cc(ccc1OCc2ccccc2)c3cc(cs3)C=O 08f64ee4eda8824009d0b51b2346fd10 [1,0,0,0,1,0|2,0,0]=4 356 B25R3.2148577 N#Cc1cc(ccc1OCc2ccccc2)c3cc(on3)C=O 2288d5159981228eb96412a799a331f7 [1,0,0,0,1,0|2,0,0]=4 357 B25R3.2148577 N#Cc1cc(ccc1OCc2ccccc2)c3nc(co3)C=O e886982147c711db82db09fd3075b697 [1,0,0,0,1,0|2,0,0]=4 358 B25R3.2148577 N#Cc1cc(ccc1OCc2ccccc2)c3nc(cs3)C=O 8616171fc62d5df91af31c38af0b960c [1,0,0,0,1,0|2,0,0]=4 359 B25R3.2148577 N#Cc1cc(ccc1OCc2ccccc2)c3ncc([nH]3)C=O 9a374efd82342ad8ba5637af45ccdb46 [1,0,0,0,1,0|1,0,1]=4 360 B25R3.2148577 N#Cc1cc(ccc1OCc2ccccc2)c3ncc(s3)C=O 19de09aa95e2dfdaf731223ff4083156 [1,0,0,0,1,0|2,0,0]=4 361 B25R3.3507364 O=C(O)c1cnc(nc1)c2ccc(c(c2)Cl)Oc3ccccc3 ad68da66be6e5489cd127ae6c831fadc [1,0,0,0,1,0|2,0,0]=4 362 B25R3.3507364 O=C(O)c1cnc(nc1)c2ccc(c(c2)F)Oc3ccccc3 ffa5ce3eb55eb3fc9b891e50c919eeb0 [1,0,0,0,1,0|2,0,0]=4 363 B25R3.1136282 N#Cc1cc(ccc1Oc2ccccc2)c3cc(co3)C(=O)O a8cec294c0cc6867de4ec1034b574e64 [0,0,0,0,2,0|2,0,0]=4 364 B25R3.1136282 N#Cc1cc(ccc1Oc2ccccc2)c3cc(cs3)C(=O)O 0b4ee779fd1c0c00105d060238466078 [0,0,0,0,2,0|2,0,0]=4 365 B27R3.3241114 C=Cc1cnc(nc1)Nc2ccc(c(c2)C#N)OCc3ccccc3 e59508376fc59c6bc5ea15974ec7b762 [1,0,0,0,0,1|2,0,0]=4 366 B27R3.3241114 N#Cc1cc(ccc1OCc2ccccc2)Nc3ccc(cn3)C=O 49265437818a6368b1884f0ca6732969 [1,0,0,0,0,1|2,0,0]=4 367 B27R3.3241114 N#Cc1cc(ccc1OCc2ccccc2)Nc3ncc(cn3)C=O 729de8eec03e52f9a7053ab31c335911 [1,0,0,0,0,1|1,0,0]=3 368 B27R3.3241114 N#Cc1cc(ccc1OCc2ccccc2)Nc3ncc(cn3)CO 2c29df5daf1a34593df7fdd381a5900f [1,0,0,0,0,1|1,0,1]=4 369 B27R3.3241114 N#Cc1cc(ccc1SCc2ccccc2)Nc3ncc(cn3)C=O abcf0566c4d495dcacb7f05bb136192d [1,0,0,0,0,1|1,1,0]=4 370 B27R3.4488648 Cc1cc(ccc1OCc2ccccc2)c3ncc(cn3)CC(=O)O 6ba6c2e7758618b14884257ade026e55 [1,0,0,0,0,1|1,0,1]=4 371 B27R3.4488648 O=C(O)Cc1cnc(nc1)c2ccc(c(c2)Cl)OCc3ccccc3 e69608973b893fb2ac4ef6e9cc9ad476 [1,0,0,0,0,1|2,0,0]=4 372 B27R3.4488648 O=C(O)Cc1cnc(nc1)c2ccc(c(c2)F)OCc3ccccc3 87c5cb693ee9907f50d4be616d2aeafa [1,0,0,0,0,1|2,0,0]=4 373 B27R3.36860693 Cc1cc(ccc1OCc2ccccc2)Nc3ncc(cn3)C(=O)O 8ace1ffb5dceb5a938586b8b28b61829 [1,0,0,0,0,1|1,0,1]=4 374 B27R3.36860693 O=C(O)c1cnc(nc1)Nc2ccc(c(c2)F)OCc3ccccc3 de7dee4f4fc33bae6df4eee04977c3d7 [1,0,0,0,0,1|2,0,0]=4 375 B27R3.36860693 O=C(O)c1cnc(nc1)Nc2ccc(c(c2)O)OCc3ccccc3 1b05dc25e22cf518df35cd0eea07a513 [1,0,0,0,0,1|2,0,0]=4 376 B27R3.2269124 CC(=O)c1cnc(nc1)Nc2ccc(c(c2)C#N)Oc3ccccc3 71f5e1eaf5998feb6e898e962072d8a9 [0,0,0,0,1,1|2,0,0]=4 377 B27R3.1017447 CC(=O)c1cnc(nc1)c2ccc(c(c2)OCc3ccccc3)C#N 0a13c47007cd1f80660527ee7d729477 [0,0,0,0,1,1|2,0,0]=4 378 B27R3.1017447 N#Cc1ccc(cc1OCc2ccccc2)c3ccc(cn3)C(=O)O d8619d632040495e3b6b7b2cdedb120e [0,0,0,0,1,1|2,0,0]=4 379 B27R3.1017447 N#Cc1ccc(cc1OCc2ccccc2)c3ncc(cn3)C(=O)N a0fd76929b300c2c65196d0dd5ab3790 [0,0,0,0,1,1|2,0,0]=4 380 B27R3.1017447 N#Cc1ccc(cc1OCc2ccccc2)c3ncc(cn3)C(=O)O d08ceac240a390401687cc30561a2354 [0,0,0,0,1,1|1,0,0]=3 381 B27R3.1127628 CC(=O)c1cc(ncn1)c2ccc(c(c2)C#N)OCc3ccccc3 ca47fa5b40a44b7d4bd5f47ad9dbfdee [0,0,0,0,1,1|2,0,0]=4 382 B27R3.1127628 CC(=O)c1ccnc(c1)c2ccc(c(c2)C#N)OCc3ccccc3 19401d56a07d28e6bef52914cf6647fc [0,0,0,0,1,1|2,0,0]=4 383 B27R3.1127628 CC(=O)c1ccnc(n1)c2ccc(c(c2)C#N)OCc3ccccc3 bd0ce6d5b7a9f50ed05eae5a6e184af5 [0,0,0,0,1,1|2,0,0]=4 384 B27R3.1127628 CC(=O)c1cncc(c1)c2ccc(c(c2)C#N)OCc3ccccc3 c1052ed5cdc3b03710101f111dd7ad9c [0,0,0,0,1,1|2,0,0]=4 385 B27R3.1127628 CC(=O)c1cncc(n1)c2ccc(c(c2)C#N)OCc3ccccc3 e6eb15010b65bc173c76494ebc4e0c84 [0,0,0,0,1,1|2,0,0]=4 386 B27R3.1127628 N#Cc1cc(ccc1OCc2ccccc2)c3cc(ccn3)C(=O)N 5706b7bc7d48a0ba4237cac97b5abb62 [0,0,0,0,1,1|2,0,0]=4 387 B27R3.1127628 N#Cc1cc(ccc1OCc2ccccc2)c3cc(ccn3)C(=O)O 2140ae086ff636cae0998263c0167f78 [0,0,0,0,1,1|1,0,0]=3 388 B27R3.1127628 N#Cc1cc(ccc1OCc2ccccc2)c3cc(cnn3)C(=O)O 9b5005f719bebe9fc1f4146b7c0136d7 [0,0,0,0,1,1|1,0,0]=3 389 B27R3.1127628 N#Cc1cc(ccc1OCc2ccccc2)c3cc(ncn3)C(=O)N 7b1c02a385875d8017bdfce8fc637248 [0,0,0,0,1,1|2,0,0]=4 390 B27R3.1127628 N#Cc1cc(ccc1OCc2ccccc2)c3cc(ncn3)C(=O)O 555c907c9fc3ddbdd4123667d93e466a [0,0,0,0,1,1|1,0,0]=3 391 B27R3.1127628 N#Cc1cc(ccc1OCc2ccccc2)c3cccc(c3)C(=O)O 26ec54d32bc7f409d89e22b6346775f7 [0,0,0,0,1,1|2,0,0]=4 392 B27R3.1127628 N#Cc1cc(ccc1OCc2ccccc2)c3cccc(n3)C(=O)O f03c18df5bbc7a0e973543deca3bb93a [0,0,0,0,1,1|2,0,0]=4 393 B27R3.1127628 N#Cc1cc(ccc1OCc2ccccc2)c3ccnc(c3)C(=O)O 2b640b599cd88baef3caecce8f9a17ca [0,0,0,0,1,1|2,0,0]=4 394 B27R3.1127628 N#Cc1cc(ccc1OCc2ccccc2)c3ccnc(n3)C(=O)O 3b0bcf31da38daaf174eb9c956b9b2d0 [0,0,0,0,1,1|2,0,0]=4 395 B27R3.1127628 N#Cc1cc(ccc1OCc2ccccc2)c3cncc(c3)C(=O)N ba200a8341f41ebb8e4f51e9695818c9 [0,0,0,0,1,1|2,0,0]=4 396 B27R3.1127628 N#Cc1cc(ccc1OCc2ccccc2)c3cncc(c3)C(=O)O 6ac10f41b854a8dba0a1f222f0cd92a7 [0,0,0,0,1,1|1,0,0]=3 397 B27R3.1127628 N#Cc1cc(ccc1OCc2ccccc2)c3cncc(n3)C(=O)N 129e3643ce9f949298f864028f581a40 [0,0,0,0,1,1|2,0,0]=4 398 B27R3.1127628 N#Cc1cc(ccc1OCc2ccccc2)c3cncc(n3)C(=O)O ab15d1667e1db84e4b6519d42b4a40e5 [0,0,0,0,1,1|1,0,0]=3 399 B27R3.1127628 N#Cc1cc(ccc1OCc2ccccc2)c3cnnc(c3)C(=O)O 783f3974fd9b06efde1778a60399db93 [0,0,0,0,1,1|2,0,0]=4 400 B27R3.1127628 N#Cc1cc(ccc1OCc2ccccc2)c3nccc(n3)C(=O)N a7e2db182fce84035f54d1e8b493647c [0,0,0,0,1,1|2,0,0]=4 401 B27R3.1127628 N#Cc1cc(ccc1OCc2ccccc2)c3nccc(n3)C(=O)O 8165408a24d4fd2eacc585f9f4605325 [0,0,0,0,1,1|1,0,0]=3 402 B27R3.1127628 N#Cc1cc(ccc1SCc2ccccc2)c3cncc(c3)C(=O)O f96e1ce4b8fcf0af6613be14561cb35d [0,0,0,0,1,1|1,1,0]=4 403 B29R3.11815868 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(cn3)/C=C/C(=O)O 805bce571ae557e4cc9f0587790bf921 [0,0,0,0,0,2|2,0,0]=4 404 B29R3.11815868 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(cn3)C=CC(=O)O 8fccbee0df18050f7ebdab33ae95c774 [0,0,0,0,0,2|2,0,0]=4 405 B29R3.11815868 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(cn3)CCC(=O)O 8fc126ebaa1da4768b8d93ea7f14822e [0,0,0,0,0,2|2,0,0]=4 406 B29R3.11815868 N#Cc1cc(ccc1OCc2ccccc2)c3ccc(cn3)OCC(=O)O 3bf83c4d099b18fb2c58fdc94a612cfd [0,0,0,0,0,2|2,0,0]=4 407 B29R3.153290015 N#Cc1cc(ccc1OCc2ccccc2)Nc3ccc(cn3)CC(=O)O e04c9f8ddbe33435cad1513a73e1ae68 [0,0,0,0,0,2|2,0,0]=4 408 B29R3.153290177 N#Cc1cc(ccc1OCc2ccccc2)NCc3ccc(cn3)C(=O)O d35924fa6e5d0e641b22bfa648519704 [0,0,0,0,0,2|2,0,0]=4