0 B27R3.71798660 CC1=CCCN(C1)c2cc(=O)n(c(=O)n2Cc3ccccc3C#N)C 27a_100000725631_100015190259 [0,0,0,0,0,0|1,0,2]=3 1 B27R3.71798660 CC1CN(CCO1)c2cc(=O)n(c(=O)n2Cc3ccccc3C#N)C 27a_100000729577_100015190259 [0,0,0,0,0,0|2,0,0]=2 2 B27R3.71798660 C[C@H]1CCCN(C1)c2cc(=O)n(c(=O)n2Cc3ccccc3C#N)C 27a_100000717927_100015190259 [0,0,0,0,0,0|1,0,0]=1 3 B27R3.71798660 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)C3=CC(=O)CCC3 271570a_100000723966_100015190259 [0,0,0,0,0,0|2,0,2]=4 4 B27R3.71798660 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N3CCCC(C3)F 27a_100000697950_100015190259 [0,0,0,0,0,0|1,0,0]=1 5 B27R3.71798660 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N3CCCC(C3)O 27a_100000211013_100015190259 [0,0,0,0,0,0|1,0,0]=1 6 B27R3.71798660 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N3CCNC(=O)C3 27a_100000184651_100015190259 [0,0,0,0,0,0|2,0,1]=3 7 B26R3.64293578 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)C3=CCCCC3 271570a_100000062251_100015190259 [1,0,0,0,0,0|1,0,1]=3 8 B26R3.64293578 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)C3=CCCCO3 271570a_100010177797_100015190259 [1,0,0,0,0,0|2,0,1]=4 9 B26R3.64293578 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)C3=CCNCC3 271570a_100000731432_100015190259 [1,0,0,0,0,0|2,0,1]=4 10 B26R3.64293578 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)C3=CCOCC3 271570a_100000070234_100015190259 [1,0,0,0,0,0|2,0,1]=4 11 B26R3.64293578 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)C3=CCSCC3 271570a_100010232141_100015190259 [1,0,0,0,0,0|2,0,1]=4 12 B26R3.64293578 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)C3=COCCC3 271570a_100010175576_100015190259 [1,0,0,0,0,0|2,0,1]=4 13 B26R3.64293578 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N3CC=CCC3 27a_100000698166_100015190259 [1,0,0,0,0,0|0,0,2]=3 14 B26R3.64293578 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N3CCOCC3 27a_100015191051_100015190259 [1,0,0,0,0,0|1,0,0]=2 15 B26R3.64293578 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N3CCSCC3 27a_100000737611_100015190259 [1,0,0,0,0,0|1,0,0]=2 16 B28R3.104634432 C#CC1CCCN(C1)c2cc(=O)n(c(=O)n2Cc3ccccc3C#N)C 27a_100015191679_100015190259 [0,1,0,0,0,0|1,0,0]=2 17 B28R3.104634432 CCC1CN(CCO1)c2cc(=O)n(c(=O)n2Cc3ccccc3C#N)C 27a_100000736320_100015190259 [0,1,0,0,0,0|2,0,0]=3 18 B28R3.104634432 COC1CCCN(C1)c2cc(=O)n(c(=O)n2Cc3ccccc3C#N)C 27a_100000695604_100015190259 [0,1,0,0,0,0|1,0,0]=2 19 B28R3.104634432 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N3CCCC(C3)C#N 27a_100016989302_100015190259 [0,1,0,0,0,0|0,0,1]=2 20 B28R3.104634432 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N3CCCC(C3)CF 27a_100016992999_100015190259 [0,1,0,0,0,0|1,0,0]=2 21 B28R3.104634432 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N3CCCC(C3)CO 27a_100000211344_100015190259 [0,1,0,0,0,0|1,0,0]=2 22 B28R3.104634432 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N3CCOC(C3)C#N 27a_100000752543_100015190259 [0,1,0,0,0,0|1,0,1]=3 23 B28R3.104634432 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N3CCO[C@@H](C3)CO 27a_100015189573_100015190259 [0,1,0,0,0,0|2,0,0]=3 24 B28R3.126734018 CC1CC(CN(C1)c2cc(=O)n(c(=O)n2Cc3ccccc3C#N)C)C 27a_100000210448_100015190259 [0,1,0,0,0,0|1,0,0]=2 25 B28R3.126734018 CC1CN(CC(O1)C)c2cc(=O)n(c(=O)n2Cc3ccccc3C#N)C 27a_100000210032_100015190259 [0,1,0,0,0,0|2,0,0]=3 26 B28R3.655059150 CC1C(=O)NCCN1c2cc(=O)n(c(=O)n2Cc3ccccc3C#N)C 27a_100000750721_100015190259 [0,1,0,0,0,0|2,0,1]=4 27 B28R3.655059151 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N3CCCC(C3)(C)C 27a_100000716857_100015190259 [0,1,0,0,0,0|1,0,0]=2 28 B28R3.655059151 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N3CCCC(C3)(C)O 27a_100000695535_100015190259 [0,1,0,0,0,0|1,0,0]=2 29 B28R3.655059151 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N3CCCC(C3)(F)F 27a_100000732682_100015190259 [0,1,0,0,0,0|1,0,0]=2 30 B28R3.655059151 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N3CCOC(C3)(C)C 27a_100000738910_100015190259 [0,1,0,0,0,0|2,0,0]=3 31 B28R3.655059171 CC1CCN(CC1O)c2cc(=O)n(c(=O)n2Cc3ccccc3C#N)C 27a_100000696640_100015190259 [0,1,0,0,0,0|1,0,0]=2 32 B28R3.655059171 CC1CN(CCC1O)c2cc(=O)n(c(=O)n2Cc3ccccc3C#N)C 27a_100011998114_100015190259 [0,1,0,0,0,0|1,0,0]=2 33 B28R3.655059171 CN1CCN(CC1=O)c2cc(=O)n(c(=O)n2Cc3ccccc3C#N)C 27a_100000187256_100015190259 [0,1,0,0,0,0|2,0,1]=4 34 B28R3.655059171 C[C@H]1CN(CCN1C)c2cc(=O)n(c(=O)n2Cc3ccccc3C#N)C 27a_100020603432_100015190259 [0,1,0,0,0,0|2,0,0]=3 35 B28R3.655059171 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N3CC[C@H]([C@H](C3)F)O 27a_200016994291_100015190259 [0,1,0,0,0,0|1,0,0]=2 36 B28R3.655059171 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N3CC[C@H]([C@H](C3)O)O 27a_100000690696_100015190259 [0,1,0,0,0,0|1,0,0]=2 37 B28R3.1265955118 C[C@@H]1CN([C@@H](CO1)C)c2cc(=O)n(c(=O)n2Cc3ccccc3C#N)C 27a_100016991869_100015190259 [0,1,0,0,0,0|2,0,0]=3 38 B26R2.39873670 CCCC(=O)CSc1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 62a_100000747444_100015190259 [0,0,1,0,0,0|2,0,1]=4 39 B26R2.39873670 CCCC(C)CSc1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 62a_100011216630_100015190259 [0,0,1,0,0,0|2,0,0]=3 40 B26R2.39873670 CCNC(=O)CNc1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100016988866_100015190259 [0,0,1,0,0,0|2,0,1]=4 41 B26R2.39873670 COCC(O)CNc1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100000756049_100015190259 [0,0,1,0,0,0|2,0,0]=3 42 B26R2.39873670 COCC(O)CSc1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 62a_100011215053_100015190259 [0,0,1,0,0,0|3,0,0]=4 43 B26R2.302376216 C=C(C)CN(CC)c1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100000211296_100015190259 [0,0,1,0,0,0|1,0,1]=3 44 B26R2.302376216 CCN(CC(C)C)c1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100000738554_100015190259 [0,0,1,0,0,0|1,0,0]=2 45 B26R2.302376216 CCN(C[C@H](C)O)c1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100000729506_100015190259 [0,0,1,0,0,0|1,0,0]=2 46 B26R2.302376217 CC(=O)CCCSc1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 62a_100011215641_100015190259 [0,0,1,0,0,0|2,0,1]=4 47 B26R2.302376217 CC(=O)NCCNc1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100000209853_100015190259 [0,0,1,0,0,0|2,0,1]=4 48 B26R2.302376217 CC(C)CCCNc1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_200000737386_100015190259 [0,0,1,0,0,0|1,0,0]=2 49 B26R2.302376217 CC(C)CCCSc1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 62a_100011214892_100015190259 [0,0,1,0,0,0|2,0,0]=3 50 B26R2.302376217 CC(C)OCCNc1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100000701111_100015190259 [0,0,1,0,0,0|2,0,0]=3 51 B26R2.302376217 CC(C)OCCSc1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 62a_100000211751_100015190259 [0,0,1,0,0,0|3,0,0]=4 52 B26R2.302376217 CC(C)SCCNc1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100000731138_100015190259 [0,0,1,0,0,0|2,0,0]=3 53 B26R2.302376217 CC(C)SCCSc1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 62a_100000730970_100015190259 [0,0,1,0,0,0|3,0,0]=4 54 B26R2.302376217 CC(O)CCCSc1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 62a_200000718107_100015190259 [0,0,1,0,0,0|2,0,0]=3 55 B26R2.302376217 CN(C)CCCNc1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_102531767803_100015190259 [0,0,1,0,0,0|2,0,0]=3 56 B26R2.302376217 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)NCCCC(=O)N 27a_100000739312_100015190259 [0,0,1,0,0,0|1,0,1]=3 57 B26R2.302376217 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)NCCCS(=O)C 27a_200000753449_100015190259 [0,0,1,0,0,0|2,0,0]=3 58 B26R2.302376217 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)NCCNC(=O)N 27a_100020590234_100015190259 [0,0,1,0,0,0|2,0,1]=4 59 B26R2.302376217 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)SCCCC(=O)N 62a_100102525003_100015190259 [0,0,1,0,0,0|2,0,1]=4 60 B26R2.302376218 CCC(C)CN(C)c1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100000753921_100015190259 [0,0,1,0,0,0|1,0,0]=2 61 B26R2.302376218 CN(CC(O)CO)c1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100011216503_100015190259 [0,0,1,0,0,0|2,0,0]=3 62 B26R2.302376218 CNC(=O)CN(C)c1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100000189611_100015190259 [0,0,1,0,0,0|2,0,1]=4 63 B26R2.302376218 COC(=O)CN(C)c1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100000198492_100015190259 [0,0,1,0,0,0|2,0,1]=4 64 B26R2.357073419 CCCCCN(C)c1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100000223495_100015190259 [0,0,1,0,0,0|1,0,0]=2 65 B26R2.357073419 CN(CCCCO)c1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100000717598_100015190259 [0,0,1,0,0,0|1,0,0]=2 66 B26R2.357073419 COCCCN(C)c1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100000224831_100015190259 [0,0,1,0,0,0|2,0,0]=3 67 B26R2.931562241 CCCN(CCC)c1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100000210455_100015190259 [0,0,1,0,0,0|1,0,0]=2 68 B26R2.931562241 CCCN(CCO)c1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100000211420_100015190259 [0,0,1,0,0,0|1,0,0]=2 69 B26R2.931562241 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N(CCO)CCO 27a_100000210587_100015190259 [0,0,1,0,0,0|2,0,0]=3 70 B28R4.807321807 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N3CC4CCC3C4 27a_100000743476_100015190259 [0,0,0,1,0,0|1,0,0]=2 71 B28R4.807321807 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N3C[C@H]4C[C@@H]3CO4 27a_100016995552_100015190259 [0,0,0,1,0,0|2,0,0]=3 72 B26R3.64293576 CC1SCCN1c2cc(=O)n(c(=O)n2Cc3ccccc3C#N)C 27a_200011216479_100015190259 [0,0,0,0,1,0|2,0,0]=3 73 B26R3.64293576 C[C@@H]1CCCN1c2cc(=O)n(c(=O)n2Cc3ccccc3C#N)C 27a_100015189458_100015190259 [0,0,0,0,1,0|1,0,0]=2 74 B26R3.64293576 C[C@H]1CCCN1c2cc(=O)n(c(=O)n2Cc3ccccc3C#N)C 27a_100020605311_100015190259 [0,0,0,0,1,0|1,0,0]=2 75 B26R3.64293577 C[C@@H]1CCN(C1)c2cc(=O)n(c(=O)n2Cc3ccccc3C#N)C 27a_100016987628_100015190259 [0,0,0,0,1,0|1,0,0]=2 76 B26R3.64293577 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N3CCC(C3)O 27a_100011215560_100015190259 [0,0,0,0,1,0|1,0,0]=2 77 B26R3.64293577 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N3CC[C@@H](C3)F 27a_100015203821_100015190259 [0,0,0,0,1,0|1,0,0]=2 78 B26R3.64293577 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N3CNC(=O)C3 27a_200000708111_100015190259 [0,0,0,0,1,0|2,0,1]=4 79 B28R3.126734022 CC1CCCC(C1)Nc2cc(=O)n(c(=O)n2Cc3ccccc3C#N)C 27a_100011194320_100015190259 [0,0,0,0,0,1|2,0,0]=3 80 B28R3.126734022 CN1CCC[C@@H](C1)Nc2cc(=O)n(c(=O)n2Cc3ccccc3C#N)C 27a_100016992120_100015190259 [0,0,0,0,0,1|3,0,0]=4 81 B28R3.126734022 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)NC3CCCC(C3)O 27a_100015190357_100015190259 [0,0,0,0,0,1|2,0,0]=3 82 B28R3.1265954913 CC1CCCN(CC1)c2cc(=O)n(c(=O)n2Cc3ccccc3C#N)C 27a_100025706717_100015190259 [0,0,0,0,0,1|1,0,0]=2 83 B28R3.1265954913 CN1CCCN(CC1)c2cc(=O)n(c(=O)n2Cc3ccccc3C#N)C 27a_100000211313_100015190259 [0,0,0,0,0,1|2,0,0]=3 84 B28R3.1265954913 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N3CCCC(CC3)O 27a_100015186869_100015190259 [0,0,0,0,0,1|1,0,0]=2 85 B28R3.1265954913 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N3CCNC(=O)CC3 27a_100000698595_100015190259 [0,0,0,0,0,1|2,0,1]=4 86 B28R3.1265954943 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N3CCCCC(C3)O 27a_100025706797_100015190259 [0,0,0,0,0,1|1,0,0]=2 87 B28R3.1265954943 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N3CCCNC(=O)C3 27a_100015190381_100015190259 [0,0,0,0,0,1|1,0,1]=3 88 B28R3.1265954943 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N3CCOC[C@@H](C3)O 27a_100016073750_100015190259 [0,0,0,0,0,1|1,0,0]=2 89 B25R2.16863795 C#CCCCNc1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100000718082_100015190259 [1,0,1,0,0,0|0,0,2]=4 90 B25R2.16863795 C=CCCCNc1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100000700776_100015190259 [1,0,1,0,0,0|0,0,2]=4 91 B25R2.16863795 CCCCC=Cc1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 271570a_100016275911_100015190259 [1,0,1,0,0,0|1,0,1]=4 92 B25R2.16863795 CCCCCNc1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100000209983_100015190259 [1,0,1,0,0,0|0,0,0]=2 93 B25R2.16863795 CCCCCSc1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 62a_100000210326_100015190259 [1,0,1,0,0,0|1,0,0]=3 94 B25R2.16863795 CCOCCNc1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100011200944_100015190259 [1,0,1,0,0,0|1,0,0]=3 95 B25R2.16863795 CCOCCSc1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 62a_100000210147_100015190259 [1,0,1,0,0,0|2,0,0]=4 96 B25R2.16863795 CCSCCNc1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100000106463_100015190259 [1,0,1,0,0,0|1,0,0]=3 97 B25R2.16863795 CCSCCSc1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 62a_100000757381_100015190259 [1,0,1,0,0,0|2,0,0]=4 98 B25R2.16863795 COCCCNc1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100150723488_100015190259 [1,0,1,0,0,0|1,0,0]=3 99 B25R2.16863795 COCCCSc1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 62a_100000709357_100015190259 [1,0,1,0,0,0|2,0,0]=4 100 B25R2.16863795 CSCCCNc1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100000749238_100015190259 [1,0,1,0,0,0|1,0,0]=3 101 B25R2.16863795 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)NCCCCO 27a_100000750430_100015190259 [1,0,1,0,0,0|1,0,0]=3 102 B25R2.16863795 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)SCCCCF 62a_100000729493_100015190259 [1,0,1,0,0,0|2,0,0]=4 103 B25R2.16863795 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)SCCCCO 62a_100000210776_100015190259 [1,0,1,0,0,0|2,0,0]=4 104 B25R2.228925260 CC(CO)CNc1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100000744482_100015190259 [1,0,1,0,0,0|2,0,0]=4 105 B25R2.228925260 CCC(C)CNc1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100020588543_100015190259 [1,0,1,0,0,0|1,0,0]=3 106 B25R2.228925260 CCC(C)CSc1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 62a_100000748023_100015190259 [1,0,1,0,0,0|2,0,0]=4 107 B25R2.228925260 CCC(O)CNc1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100011218483_100015190259 [1,0,1,0,0,0|1,0,0]=3 108 B25R2.228925260 CCC(O)CSc1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 62a_100011218378_100015190259 [1,0,1,0,0,0|2,0,0]=4 109 B25R2.228925260 CC[C@H](C)CSc1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 62a_100009816398_100015190259 [1,0,1,0,0,0|2,0,0]=4 110 B25R2.228925260 CO[C@H](C)CNc1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100020591295_100015190259 [1,0,1,0,0,0|2,0,0]=4 111 B25R2.228925260 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)NC[C@@H](F)CO 27a_100015665980_100015190259 [1,0,1,0,0,0|2,0,0]=4 112 B25R2.228925260 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)NC[C@H](O)CO 27a_100020644852_100015190259 [1,0,1,0,0,0|2,0,0]=4 113 B25R2.84395872 C#CCN(CC)c1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100000744766_100015190259 [1,0,1,0,0,0|0,0,2]=4 114 B25R2.84395872 CCCN(CC)c1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100000226822_100015190259 [1,0,1,0,0,0|0,0,0]=2 115 B25R2.84395872 CCN(CCO)c1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100000210973_100015190259 [1,0,1,0,0,0|1,0,0]=3 116 B25R2.228925262 C=C(C)CN(C)c1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100000225649_100015190259 [1,0,1,0,0,0|1,0,1]=4 117 B25R2.228925262 CC(C)CN(C)c1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100000747067_100015190259 [1,0,1,0,0,0|1,0,0]=3 118 B25R2.228925262 CC(O)CN(C)c1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100000227577_100015190259 [1,0,1,0,0,0|1,0,0]=3 119 B25R2.228925262 CN(CC(=O)N)c1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100000739694_100015190259 [1,0,1,0,0,0|1,0,1]=4 120 B25R2.248502443 C=CCCN(C)c1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100020639649_100015190259 [1,0,1,0,0,0|0,0,2]=4 121 B25R2.248502443 CCCCN(C)c1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100000207549_100015190259 [1,0,1,0,0,0|0,0,0]=2 122 B25R2.248502443 CN(CCC#N)c1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100000184479_100015190259 [1,0,1,0,0,0|0,0,2]=4 123 B25R2.248502443 CN(CCCO)c1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100000213112_100015190259 [1,0,1,0,0,0|1,0,0]=3 124 B25R2.248502443 COCCN(C)c1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100000743101_100015190259 [1,0,1,0,0,0|1,0,0]=3 125 B25R2.248502443 CSCCN(C)c1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100000686725_100015190259 [1,0,1,0,0,0|1,0,0]=3 126 B27R2.173457283 CCOC(CC)CNc1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100015183923_100015190259 [0,1,1,0,0,0|2,0,0]=4 127 B27R2.539884816 CCCNC(=O)CNc1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100000174927_100015190259 [0,1,1,0,0,0|1,0,1]=4 128 B27R2.539884816 CCCOC(C)CNc1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100015185124_100015190259 [0,1,1,0,0,0|1,0,0]=3 129 B27R2.539884816 CCOCC(O)CNc1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_102515437182_100015190259 [0,1,1,0,0,0|1,0,0]=3 130 B27R2.539884816 C[C@H](CCCO)CNc1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100160569302_100015190259 [0,1,1,0,0,0|1,0,0]=3 131 B27R2.1240045615 CN(C)CC(O)CNc1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100000737402_100015190259 [0,1,1,0,0,0|2,0,0]=4 132 B27R2.1725702623 COCC(C)(C)CNc1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100000734190_100015190259 [0,1,1,0,0,0|2,0,0]=4 133 B27R2.1745733272 COCC(O)CN(C)c1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100000739405_100015190259 [0,1,1,0,0,0|2,0,0]=4 134 B27R2.106498371 CC(C)CN(c1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C)C(C)C 27a_100000737641_100015190259 [0,1,1,0,0,0|1,0,0]=3 135 B27R2.501569581 CCC(O)CN(CC)c1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100011365200_100015190259 [0,1,1,0,0,0|1,0,0]=3 136 B27R2.1240045707 CCN(c1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C)C(C)C(C)C 27a_100000746363_100015190259 [0,1,1,0,0,0|1,0,0]=3 137 B27R2.1929133609 CCN(CC(C)(C)C)c1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100000732750_100015190259 [0,1,1,0,0,0|1,0,0]=3 138 B27R2.1929133609 CCN(CC(C)(C)O)c1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100000755687_100015190259 [0,1,1,0,0,0|1,0,0]=3 139 B27R2.2932513292 CC(C)CN(CCO)c1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100015185251_100015190259 [0,1,1,0,0,0|1,0,0]=3 140 B27R2.2932513292 CC(O)CN(CCO)c1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100000731851_100015190259 [0,1,1,0,0,0|1,0,0]=3 141 B27R2.501569583 CNC(=O)CCCNc1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100000740002_100015190259 [0,1,1,0,0,0|1,0,1]=4 142 B27R2.501569590 CC(C)CCC(C)Nc1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100138410893_100015190259 [0,1,1,0,0,0|1,0,0]=3 143 B27R2.501569590 CC(C)CCC(C)Sc1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 62a_100011261404_100015190259 [0,1,1,0,0,0|2,0,0]=4 144 B27R2.501569591 CC(C)N(C)CCNc1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100000749581_100015190259 [0,1,1,0,0,0|2,0,0]=4 145 B27R2.1240045622 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)NCCCC(F)(F)F 27a_100000727188_100015190259 [0,1,1,0,0,0|2,0,0]=4 146 B27R2.1240045622 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)NCCCS(=O)(=O)C 27a_100000742409_100015190259 [0,1,1,0,0,0|2,0,0]=4 147 B27R2.1240045622 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)NCCC[Si](C)(C)C 27a_100000725946_100015190259 [0,1,1,0,0,0|1,1,0]=4 148 B27R2.1240045622 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)NCCOC(C)(C)C 27a_100000747557_100015190259 [0,1,1,0,0,0|2,0,0]=4 149 B27R2.1240045622 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)NCCSC(C)(C)C 27a_100000689375_100015190259 [0,1,1,0,0,0|2,0,0]=4 150 B27R2.1240045622 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)SCCCC(C)(C)O 62a_100009888830_100015190259 [0,1,1,0,0,0|2,0,0]=4 151 B27R2.1929133592 CN(C)CCCN(C)c1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100000225831_100015190259 [0,1,1,0,0,0|2,0,0]=4 152 B27R2.1240045491 COC(CN(C)c1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C)OC 27a_100000225562_100015190259 [0,1,1,0,0,0|2,0,0]=4 153 B27R2.1240045640 CN(CC(C)(C)CO)c1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100000732702_100015190259 [0,1,1,0,0,0|2,0,0]=4 154 B27R2.603115908 CCN(CCCCO)c1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100011217355_100015190259 [0,1,1,0,0,0|1,0,0]=3 155 B27R2.1802387665 C=CCCCCN(C)c1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100012000471_100015190259 [0,1,1,0,0,0|1,0,0]=3 156 B27R2.1802387665 CCCCCCN(C)c1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_106256046315_100015190259 [0,1,1,0,0,0|1,0,0]=3 157 B27R2.1802387665 CN(CCCCCO)c1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100000722520_100015190259 [0,1,1,0,0,0|1,0,0]=3 158 B27R2.1802387665 CN(CCOCCO)c1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100000228057_100015190259 [0,1,1,0,0,0|1,0,0]=3 159 B27R2.2196628237 C#CCN(CCOC)c1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100000223814_100015190259 [0,1,1,0,0,0|1,0,1]=4 160 B27R2.2196628237 CCCCN(CCC)c1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_200000207744_100015190259 [0,1,1,0,0,0|1,0,0]=3 161 B27R2.2196628237 CCCCN(CCO)c1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100000198060_100015190259 [0,1,1,0,0,0|1,0,0]=3 162 B27R2.2196628237 CCCN(CCC#N)c1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100000176855_100015190259 [0,1,1,0,0,0|0,0,1]=3 163 B27R2.2196628237 CCCN(CCOC)c1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_200011192371_100015190259 [0,1,1,0,0,0|1,0,0]=3 164 B27R2.2196628237 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N(CCO)CCCO 27a_200000212863_100015190259 [0,1,1,0,0,0|1,0,0]=3 165 B27R2.2954400375 CCCN(c1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C)C(C)CC 27a_200011216551_100015190259 [0,1,1,0,0,0|1,0,0]=3 166 B27R2.2954400375 CCCN(c1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C)C(C)CO 27a_100011303929_100015190259 [0,1,1,0,0,0|1,0,0]=3 167 B27R3.71798657 C=C1CCN(CC1)c2cc(=O)n(c(=O)n2Cc3ccccc3C#N)C 27a_100000752442_100015190259 [1,1,0,0,0,0|0,0,1]=3 168 B27R3.71798657 CC1=CCN(CC1)c2cc(=O)n(c(=O)n2Cc3ccccc3C#N)C 27a_100000693516_100015190259 [1,1,0,0,0,0|0,0,2]=4 169 B27R3.71798657 CC1CC=C(CC1)c2cc(=O)n(c(=O)n2Cc3ccccc3C#N)C 271570a_100010240233_100015190259 [1,1,0,0,0,0|1,0,1]=4 170 B27R3.71798657 CC1CCN(CC1)c2cc(=O)n(c(=O)n2Cc3ccccc3C#N)C 27a_100000188429_100015190259 [1,1,0,0,0,0|0,0,0]=2 171 B27R3.71798657 CN1CCN(CC1)c2cc(=O)n(c(=O)n2Cc3ccccc3C#N)C 27a_100000188432_100015190259 [1,1,0,0,0,0|1,0,0]=3 172 B27R3.71798657 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)C3=CCC(CC3)O 271570a_100010254553_100015190259 [1,1,0,0,0,0|1,0,1]=4 173 B27R3.71798657 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N3CCC(CC3)F 27a_100015193889_100015190259 [1,1,0,0,0,0|0,0,0]=2 174 B27R3.71798657 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N3CCC(CC3)O 27a_100025773856_100015190259 [1,1,0,0,0,0|0,0,0]=2 175 B27R3.71798657 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N3CCS(=O)CC3 27a_100000752083_100015190259 [1,1,0,0,0,0|1,0,0]=3 176 B27R3.71798664 CC1CCCCN1c2cc(=O)n(c(=O)n2Cc3ccccc3C#N)C 27a_100000211376_100015190259 [1,1,0,0,0,0|0,0,0]=2 177 B27R3.71798664 C[C@H]1COCCN1c2cc(=O)n(c(=O)n2Cc3ccccc3C#N)C 27a_100009815349_100015190259 [1,1,0,0,0,0|1,0,0]=3 178 B27R3.431456094 CCC1CCCN1c2cc(=O)n(c(=O)n2Cc3ccccc3C#N)C 27a_100000754278_100015190259 [0,1,0,0,1,0|1,0,0]=3 179 B27R3.431456094 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N3CCC[C@@H]3CO 27a_100000745186_100015190259 [0,1,0,0,1,0|1,0,0]=3 180 B27R3.1106008311 CC1CCC(N1c2cc(=O)n(c(=O)n2Cc3ccccc3C#N)C)C 27a_100000687148_100015190259 [0,1,0,0,1,0|1,0,0]=3 181 B27R3.152474557 CO[C@@H]1CCN(C1)c2cc(=O)n(c(=O)n2Cc3ccccc3C#N)C 27a_100000766984_100015190259 [0,1,0,0,1,0|1,0,0]=3 182 B27R3.152474557 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N3CCC(C3)C#N 27a_100016989334_100015190259 [0,1,0,0,1,0|0,0,1]=3 183 B27R3.152474557 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N3CCC(C3)CO 27a_100000748654_100015190259 [0,1,0,0,1,0|1,0,0]=3 184 B27R3.431456104 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N3CCC(C3)(C)C 27a_100000764714_100015190259 [0,1,0,0,1,0|1,0,0]=3 185 B27R3.431456104 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N3CCC(C3)(C)O 27a_100000718628_100015190259 [0,1,0,0,1,0|1,0,0]=3 186 B27R3.431456104 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N3CCC(C3)(F)F 27a_100000697292_100015190259 [0,1,0,0,1,0|1,0,0]=3 187 B27R3.1106008313 C[C@@H]1CN(C[C@@H]1O)c2cc(=O)n(c(=O)n2Cc3ccccc3C#N)C 27a_200015306588_100015190259 [0,1,0,0,1,0|1,0,0]=3 188 B27R3.1106008313 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N3C[C@@H]([C@H](C3)F)O 27a_100020590056_100015190259 [0,1,0,0,1,0|1,0,0]=3 189 B27R3.1106008313 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N3C[C@H]([C@H](C3)F)F 27a_100103146936_100015190259 [0,1,0,0,1,0|1,0,0]=3 190 B27R3.1106008313 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N3C[C@H]([C@H](C3)O)O 27a_100015207562_100015190259 [0,1,0,0,1,0|1,0,0]=3 191 B29R3.6012686116 CC1CCCC(C1C)Nc2cc(=O)n(c(=O)n2Cc3ccccc3C#N)C 27a_100000211273_100015190259 [0,1,0,0,0,1|2,0,0]=4 192 B29R3.998210521 CCC1CCCN(CC1)c2cc(=O)n(c(=O)n2Cc3ccccc3C#N)C 27a_100000757272_100015190259 [0,1,0,0,0,1|1,0,0]=3 193 B29R3.998210521 CCN1CCCN(CC1)c2cc(=O)n(c(=O)n2Cc3ccccc3C#N)C 27a_100000748291_100015190259 [0,1,0,0,0,1|2,0,0]=4 194 B29R3.998210521 COC1CCCN(CC1)c2cc(=O)n(c(=O)n2Cc3ccccc3C#N)C 27a_100016993962_100015190259 [0,1,0,0,0,1|1,0,0]=3 195 B29R3.6012685568 CC1CN(CCCN1c2cc(=O)n(c(=O)n2Cc3ccccc3C#N)C)C 27a_100011935175_100015190259 [0,1,0,0,0,1|2,0,0]=4 196 B29R3.6012685623 CN1CCCN(CC1=O)c2cc(=O)n(c(=O)n2Cc3ccccc3C#N)C 27a_100000709885_100015190259 [0,1,0,0,0,1|2,0,0]=4 197 B29R3.12749034041 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N3CCCC(CC3)(C)O 27a_100000723723_100015190259 [0,1,0,0,0,1|1,0,0]=3 198 B29R3.12749034041 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N3CCCC(CC3)(F)F 27a_100020621504_100015190259 [0,1,0,0,0,1|1,0,0]=3 199 B29R3.1369164801 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N3CCOCC(C3)CO 27a_100103147999_100015190259 [0,1,0,0,0,1|1,0,0]=3 200 B29R3.12749034131 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N3CCOCC(C3)(C)O 27a_100011091861_100015190259 [0,1,0,0,0,1|1,0,0]=3 201 B29R3.168351691 CCC1CCC(N(C1)c2cc(=O)n(c(=O)n2Cc3ccccc3C#N)C)C 27a_100011219223_100015190259 [0,2,0,0,0,0|1,0,0]=3 202 B29R3.1026436097 C#CC1(CCCN(C1)c2cc(=O)n(c(=O)n2Cc3ccccc3C#N)C)O 27a_100025709964_100015190259 [0,2,0,0,0,0|1,0,0]=3 203 B29R3.1026436097 CCC1(CCCN(C1)c2cc(=O)n(c(=O)n2Cc3ccccc3C#N)C)C 27a_100000756310_100015190259 [0,2,0,0,0,0|1,0,0]=3 204 B29R3.1026436104 CC(C)C1CN(CCO1)c2cc(=O)n(c(=O)n2Cc3ccccc3C#N)C 27a_100000697742_100015190259 [0,2,0,0,0,0|2,0,0]=4 205 B29R3.1026436104 CC(O)C1CCCN(C1)c2cc(=O)n(c(=O)n2Cc3ccccc3C#N)C 27a_100000740858_100015190259 [0,2,0,0,0,0|1,0,0]=3 206 B29R3.1026436104 CN(C)C1CCCN(C1)c2cc(=O)n(c(=O)n2Cc3ccccc3C#N)C 27a_100011292519_100015190259 [0,2,0,0,0,0|0,0,0]=2 207 B29R3.1026436104 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N3CCCC(C3)C(=O)N 27a_100000195536_100015190259 [0,2,0,0,0,0|0,0,0]=2 208 B29R3.1026436104 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N3CCOC(C3)C(=O)N 27a_100000748043_100015190259 [0,2,0,0,0,0|1,0,0]=3 209 B29R3.1310847998 CCOC1CCCN(C1)c2cc(=O)n(c(=O)n2Cc3ccccc3C#N)C 27a_100000745229_100015190259 [0,2,0,0,0,0|1,0,0]=3 210 B29R3.1310847998 COCC1CCCN(C1)c2cc(=O)n(c(=O)n2Cc3ccccc3C#N)C 27a_100000755410_100015190259 [0,2,0,0,0,0|1,0,0]=3 211 B29R3.1310847998 COCC1CN(CCO1)c2cc(=O)n(c(=O)n2Cc3ccccc3C#N)C 27a_100000760289_100015190259 [0,2,0,0,0,0|2,0,0]=4 212 B29R3.1310847998 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N3CCCC(C3)CC#N 27a_100015183952_100015190259 [0,2,0,0,0,0|0,0,1]=3 213 B29R3.1310847998 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N3CCCC(C3)CCO 27a_100000752241_100015190259 [0,2,0,0,0,0|1,0,0]=3 214 B29R3.2357214722 CC1CC(CN(C1)c2cc(=O)n(c(=O)n2Cc3ccccc3C#N)C)CO 27a_200012821172_100015190259 [0,2,0,0,0,0|1,0,0]=3 215 B29R3.1282995567 C[C@@H]1CN(C[C@@H](N1C)C)c2cc(=O)n(c(=O)n2Cc3ccccc3C#N)C 27a_100009821712_100015190259 [0,2,0,0,0,0|2,0,0]=4 216 B29R3.1026436131 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N3CCC(C(C3)(C)C)O 27a_100000709803_100015190259 [0,2,0,0,0,0|1,0,0]=3 217 B29R3.1026436127 CCN1CCN(CC1C)c2cc(=O)n(c(=O)n2Cc3ccccc3C#N)C 27a_100000753023_100015190259 [0,2,0,0,0,0|2,0,0]=4 218 B29R3.1026436127 CO[C@@H]1CCN(C[C@H]1O)c2cc(=O)n(c(=O)n2Cc3ccccc3C#N)C 27a_200015396376_100015190259 [0,2,0,0,0,0|1,0,0]=3 219 B29R3.6012685936 CC1CN(CCC1(F)F)c2cc(=O)n(c(=O)n2Cc3ccccc3C#N)C 27a_100000732867_100015190259 [0,2,0,0,0,0|1,0,0]=3 220 B27R3.88446682 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N[C@H]3CCC[C@@H]3O 27a_100000748460_100015190259 [0,0,1,1,0,0|1,0,0]=3 221 B27R3.88446682 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N[C@H]3COC[C@@H]3O 27a_100015191717_100015190259 [0,0,1,1,0,0|2,0,0]=4 222 B27R3.88446682 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)S[C@@H]3CCC[C@H]3O 62a_200016002552_100015190259 [0,0,1,1,0,0|2,0,0]=4 223 B27R3.154855450 CCOC1CN(C1)c2cc(=O)n(c(=O)n2Cc3ccccc3C#N)C 27a_100000732654_100015190259 [0,0,1,1,0,0|2,0,0]=4 224 B27R3.154855450 COCC1CN(C1)c2cc(=O)n(c(=O)n2Cc3ccccc3C#N)C 27a_100016993750_100015190259 [0,0,1,1,0,0|2,0,0]=4 225 B27R3.431456083 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)NCC3CCCC3 27a_100000737975_100015190259 [0,0,1,1,0,0|1,0,0]=3 226 B27R3.431456083 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)NCC3CCOC3 27a_100000737293_100015190259 [0,0,1,1,0,0|2,0,0]=4 227 B27R3.431456083 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)NCC3OCCO3 27a_100000036311_100015190259 [0,0,1,1,0,0|2,0,0]=4 228 B27R3.431456083 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)NC[C@@H]3CCCO3 27a_100020590478_100015190259 [0,0,1,1,0,0|1,0,0]=3 229 B27R3.431456083 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)SCC3CCCC3 62a_100000740388_100015190259 [0,0,1,1,0,0|2,0,0]=4 230 B27R3.431456083 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)SCC3CCCO3 62a_100000203698_100015190259 [0,0,1,1,0,0|2,0,0]=4 231 B27R3.1106008450 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)NCC(O)C3CC3 27a_100000751198_100015190259 [0,0,1,1,0,0|1,0,0]=3 232 B27R3.1270548977 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)NCC3CC(C3)O 27a_100016992100_100015190259 [0,0,1,1,0,0|2,0,0]=4 233 B27R3.1270549024 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)NCC3(CCC3)C 27a_100000706607_100015190259 [0,0,1,1,0,0|1,0,0]=3 234 B27R3.1270549024 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)NCC3(CCC3)O 27a_100000752638_100015190259 [0,0,1,1,0,0|1,0,0]=3 235 B27R3.1270549024 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)NCC3(COC3)C 27a_100020631278_100015190259 [0,0,1,1,0,0|2,0,0]=4 236 B27R3.1270549024 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)NCC3(COC3)O 27a_100010264505_100015190259 [0,0,1,1,0,0|2,0,0]=4 237 B27R3.1270549024 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)SCC3(CCC3)C 62a_100000726658_100015190259 [0,0,1,1,0,0|2,0,0]=4 238 B27R3.88446683 CN1CCC(C1)Nc2cc(=O)n(c(=O)n2Cc3ccccc3C#N)C 27a_100000744687_100015190259 [0,0,1,1,0,0|2,0,0]=4 239 B27R3.88446683 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N[C@H]3CC[C@H](C3)O 27a_100015195300_100015190259 [0,0,1,1,0,0|1,0,0]=3 240 B27R3.1106008351 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)SCCCC3CO3 62a_100000733510_100015190259 [0,0,1,1,0,0|2,0,0]=4 241 B27R3.1106008366 CN(CC1CCC1)c2cc(=O)n(c(=O)n2Cc3ccccc3C#N)C 27a_200000750244_100015190259 [0,0,1,1,0,0|1,0,0]=3 242 B27R3.1106008437 CCC1(CN(C1)c2cc(=O)n(c(=O)n2Cc3ccccc3C#N)C)O 27a_100015191684_100015190259 [0,0,1,1,0,0|1,0,0]=3 243 B27R3.1106008437 COC1(CN(C1)c2cc(=O)n(c(=O)n2Cc3ccccc3C#N)C)C 27a_100000695453_100015190259 [0,0,1,1,0,0|2,0,0]=4 244 B27R3.1106008437 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N3CC(C3)(C)CO 27a_100015203900_100015190259 [0,0,1,1,0,0|2,0,0]=4 245 B27R3.431456093 CN(c1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C)C3CCCC3 27a_100000207505_100015190259 [0,0,1,1,0,0|1,0,0]=3 246 B27R3.431456093 CN(c1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C)C3CCOC3 27a_100016988252_100015190259 [0,0,1,1,0,0|2,0,0]=4 247 B27R3.1106008315 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N3CCCCCC3 27a_100000185865_100015190259 [0,0,1,1,0,0|1,0,0]=3 248 B27R3.1106008315 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N3CCCOCC3 27a_100000685342_100015190259 [0,0,1,1,0,0|2,0,0]=4 249 B27R3.174092126 CCCN(c1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C)C3CC3 27a_100000765834_100015190259 [0,0,1,1,0,0|1,0,0]=3 250 B27R3.174092126 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N(CCO)C3CC3 27a_100000738766_100015190259 [0,0,1,1,0,0|1,0,0]=3 251 B27R4.203578532 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N3CC4CC4C3 27a_100000741873_100015190259 [1,0,0,1,0,0|0,0,0]=2 252 B29R4.2846240027 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)NC3CC4CCC3C4 27a_100000758229_100015190259 [0,0,0,1,0,1|2,0,0]=4 253 B29R4.2846240027 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)SC3CC4CCC3C4 62a_100000727232_100015190259 [0,0,0,1,0,1|2,0,0]=4 254 B29R4.1244053080 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N3CC4CCC(C3)O4 27a_100015188616_100015190259 [0,0,0,1,0,1|1,0,0]=3 255 B29R4.1003284136 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N3CC4CCC3CC4 27a_100000750499_100015190259 [0,1,0,1,0,0|1,0,0]=3 256 B29R4.5835760006 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N3CCOC4(C3)CC4 27a_100016993663_100015190259 [0,1,0,1,0,0|2,0,0]=4 257 B29R4.1003284054 CN1C[C@@H]2C[C@H]1CN2c3cc(=O)n(c(=O)n3Cc4ccccc4C#N)C 27a_100025763010_100015190259 [0,1,0,1,0,0|2,0,0]=4 258 B25R2.20177298 CCCC(C)Nc1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100000741246_100015190259 [0,0,1,0,1,0|1,0,0]=3 259 B25R2.20177298 CCCC(C)Sc1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 62a_100000766640_100015190259 [0,0,1,0,1,0|2,0,0]=4 260 B25R2.20177298 COC[C@@H](C)Nc1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100000764878_100015190259 [0,0,1,0,1,0|2,0,0]=4 261 B25R2.20177298 C[C@H](CCO)Nc1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100000706166_100015190259 [0,0,1,0,1,0|2,0,0]=4 262 B25R2.228925272 CCN(c1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C)C(C)C 27a_100000223864_100015190259 [0,0,1,0,1,0|1,0,0]=3 263 B25R2.228925275 CC(C)CCNc1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100000210545_100015190259 [0,0,1,0,1,0|1,0,0]=3 264 B25R2.228925275 CC(C)CCSc1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 62a_100000210312_100015190259 [0,0,1,0,1,0|2,0,0]=4 265 B25R2.228925275 CC(O)CCNc1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_200000755665_100015190259 [0,0,1,0,1,0|1,0,0]=3 266 B25R2.228925275 CC(O)CCSc1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 62a_100012276601_100015190259 [0,0,1,0,1,0|2,0,0]=4 267 B25R2.228925275 CN(C)CCNc1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100000210585_100015190259 [0,0,1,0,1,0|2,0,0]=4 268 B25R2.228925275 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)NCCC(=O)N 27a_100000740010_100015190259 [0,0,1,0,1,0|1,0,1]=4 269 B25R2.52358699 CC(CO)N(C)c1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100000693034_100015190259 [0,0,1,0,1,0|2,0,0]=4 270 B25R2.52358699 CCC(C)N(C)c1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100000741768_100015190259 [0,0,1,0,1,0|1,0,0]=3 271 B25R3.52170408 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)C3=CCCC3 271570a_100000089523_100015190259 [1,0,0,0,1,0|1,0,1]=4 272 B25R3.52170408 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N3CC=CC3 27a_100015195280_100015190259 [1,0,0,0,1,0|0,0,2]=4 273 B25R3.52170408 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N3CCCC3 27a_100000188435_100015190259 [1,0,0,0,1,0|0,0,0]=2 274 B25R3.52170408 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N3CCSC3 27a_100011215254_100015190259 [1,0,0,0,1,0|1,0,0]=3 275 B25R3.351122976 CC1CCN1c2cc(=O)n(c(=O)n2Cc3ccccc3C#N)C 27a_100000755817_100015190259 [0,0,0,0,2,0|1,0,0]=3 276 B25R3.351122977 CC1CN(C1)c2cc(=O)n(c(=O)n2Cc3ccccc3C#N)C 27a_100000702820_100015190259 [0,0,0,0,2,0|1,0,0]=3 277 B25R3.351122977 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N3CC(C3)F 27a_100000690557_100015190259 [0,0,0,0,2,0|1,0,0]=3 278 B25R3.351122977 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N3CC(C3)O 27a_100000749847_100015190259 [0,0,0,0,2,0|1,0,0]=3 279 B27R2.1929133610 CCN(CCC(=O)N)c1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100020645749_100015190259 [0,0,1,0,0,1|1,0,1]=4 280 B27R2.1929133610 CCN(CCC(C)C)c1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100000207693_100015190259 [0,0,1,0,0,1|1,0,0]=3 281 B27R2.501569577 CC(=O)NCCCNc1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100000736810_100015190259 [0,0,1,0,0,1|1,0,1]=4 282 B27R2.501569577 CC(C)CCCCSc1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 62a_100011216152_100015190259 [0,0,1,0,0,1|2,0,0]=4 283 B27R2.501569577 CC(C)OCCCNc1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100000737246_100015190259 [0,0,1,0,0,1|1,0,0]=3 284 B27R2.501569577 CN(C)CCCCNc1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100025707445_100015190259 [0,0,1,0,0,1|2,0,0]=4 285 B27R2.106498324 CCC(C)CC(C)Nc1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100000763565_100015190259 [0,0,1,0,0,1|2,0,0]=4 286 B27R2.2632379 CCCCCC(C)Nc1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100000211957_100015190259 [0,0,1,0,0,1|2,0,0]=4 287 B27R2.2632379 CCCCCC(C)Sc1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 62a_200011218191_100015190259 [0,0,1,0,0,1|2,0,0]=4 288 B27R2.328695939 CCCC(CCC)Nc1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100011207992_100015190259 [0,0,1,0,0,1|2,0,0]=4 289 B27R2.328695939 CCCC(CCC)Sc1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 62a_200011218217_100015190259 [0,0,1,0,0,1|2,0,0]=4 290 B27R2.328695939 CCC[C@@H](CCO)Nc1cc(=O)n(c(=O)n1Cc2ccccc2C#N)C 27a_100015193777_100015190259 [0,0,1,0,0,1|2,0,0]=4 291 B27R3.71798659 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)NC3CCCCC3 27a_100000182618_100015190259 [1,0,0,0,0,1|1,0,0]=3 292 B27R3.71798659 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)NC3CCCOC3 27a_100000719290_100015190259 [1,0,0,0,0,1|2,0,0]=4 293 B27R3.71798659 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)NC3CCOCC3 27a_100000741149_100015190259 [1,0,0,0,0,1|2,0,0]=4 294 B27R3.71798659 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)NC3CCSCC3 27a_100000748639_100015190259 [1,0,0,0,0,1|2,0,0]=4 295 B27R3.71798659 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)SC3CCCCC3 62a_100000210327_100015190259 [1,0,0,0,0,1|1,0,0]=3 296 B29R3.1026436072 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)NCC3CCCC(C3)O 27a_100011254705_100015190259 [0,0,0,0,0,2|2,0,0]=4