0 B12R1.253 CC(=O)C(C)(C)c1ccccc1 1458a_100000070787_100000034625 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.253 CC(=O)C(C)(C)c1ccccc1 1458a_100000211857_200000210301 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.253 CC(=O)C(F)(F)c1ccccc1 1458a_100000070787_100000036403 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.253 CC(=O)[C@](C)(O)c1ccccc1 1458a_100000753667_200000210301 [0,0,0,0,0,0|1,0,0]=1 4 B12R1.253 CC(C)(C(=O)[13CH3])c1ccccc1 1458a_100000211857_200025704644 [0,0,0,0,0,0|2,0,0]=2 5 B12R1.253 CN(C)C(C)(C)c1ccccc1 2230a_100102631434_100000034625 [0,0,0,0,0,0|4,0,0]=4 6 B12R1.253 CN(C)C(C)(C)c1ccccc1 269982a_100102631434_100000034625 [0,0,0,0,0,0|4,0,0]=4 7 B12R1.253 C[C@](O)(C(=O)[13CH3])c1ccccc1 1458a_100000753667_200025704644 [0,0,0,0,0,0|1,0,0]=1 8 B11R1.7 CC(C)(N[13CH3])c1ccccc1 2230a_100011218174_200025704644 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.7 CC(C)(O[13CH3])c1ccccc1 7a_100000694644_200025704644 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.7 CC(C)(S[13CH3])c1ccccc1 62a_100000034625_200025704644 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.7 CC(C)(S[13CH3])c1ccccc1 62a_200025704644_100000034625 [1,0,0,0,0,0|3,0,0]=4 12 B11R1.7 CNC(C)(C)c1ccccc1 2230a_100011218174_200000210301 [1,0,0,0,0,0|3,0,0]=4 13 B11R1.7 CNC(C)(C)c1ccccc1 2230a_106832991635_100000034625 [1,0,0,0,0,0|3,0,0]=4 14 B11R1.7 COC(C)(C)c1ccccc1 7a_100000694644_200000210301 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.7 CSC(C)(C)c1ccccc1 62a_100000034625_200000210301 [1,0,0,0,0,0|3,0,0]=4 16 B11R1.7 CSC(C)(C)c1ccccc1 62a_200000210301_100000034625 [1,0,0,0,0,0|3,0,0]=4 17 B11R1.36 C=C(C(=O)C)c1ccccc1 1458a_100000065200_200000210301 [1,0,0,0,0,0|1,0,2]=4 18 B11R1.36 C=C(C(=O)[13CH3])c1ccccc1 1458a_100000065200_200025704644 [1,0,0,0,0,0|1,0,2]=4 19 B11R1.36 CC(=C(C)c1ccccc1)C 271570a_200000049429_100000210277 [1,0,0,0,0,0|2,0,1]=4 20 B11R1.36 CC(=O)C(C)c1ccccc1 1458a_100000070787_100000230085 [1,0,0,0,0,0|1,0,0]=2 21 B11R1.36 CC(=O)C(C)c1ccccn1 1458a_100000722050_200000210301 [1,0,0,0,0,0|2,0,0]=3 22 B11R1.36 CC(=O)C(C)c1cnccn1 1458a_100000070787_200000703233 [1,0,0,0,0,0|3,0,0]=4 23 B11R1.36 CC(=O)C(F)c1ccccc1 1458a_100000698975_200000210301 [1,0,0,0,0,0|2,0,0]=3 24 B11R1.36 CC(=O)N(C)c1ccccc1 11a_100000210012_100015343762 [1,0,0,0,0,0|2,0,0]=3 25 B11R1.36 CC(=O)N(C)c1ccccc1 1626a_100000210012_100015343762 [1,0,0,0,0,0|2,0,0]=3 26 B11R1.36 CC(=O)N(C)c1ccccc1 22a_100000210012_100000070787 [1,0,0,0,0,0|2,0,0]=3 27 B11R1.36 CC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_200000210301 [1,0,0,0,0,0|1,0,0]=2 28 B11R1.36 CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_200000210301 [1,0,0,0,0,0|1,0,0]=2 29 B11R1.36 CC(C(=O)[13CH3])c1ccccn1 1458a_100000722050_200025704644 [1,0,0,0,0,0|2,0,0]=3 30 B11R1.36 CC(c1ccccc1)N(C)C 2230a_100000195388_200000210301 [1,0,0,0,0,0|3,0,0]=4 31 B11R1.36 CC(c1ccccc1)N(C)C 2230a_100102631434_100000230085 [1,0,0,0,0,0|3,0,0]=4 32 B11R1.36 CC(c1ccccc1)N(C)C 269982a_100000195388_200000210301 [1,0,0,0,0,0|3,0,0]=4 33 B11R1.36 CC(c1ccccc1)N(C)C 269982a_100102631434_100000230085 [1,0,0,0,0,0|3,0,0]=4 34 B11R1.36 CC(c1ccccc1)N(C)[13CH3] 2230a_100000195388_200025704644 [1,0,0,0,0,0|3,0,0]=4 35 B11R1.36 CC(c1ccccc1)N(C)[13CH3] 269982a_100000195388_200025704644 [1,0,0,0,0,0|3,0,0]=4 36 B11R1.36 C[C@H](C(=O)[13CH3])c1ccccc1 1458a_100000751047_200025704644 [1,0,0,0,0,0|1,0,0]=2 37 B11R1.36 [13CH3]C(=O)C(F)c1ccccc1 1458a_100000698975_200025704644 [1,0,0,0,0,0|2,0,0]=3 38 B11R1.36 [13CH3]C(=O)[C@H](O)c1ccccc1 1458a_100000684486_200025704644 [1,0,0,0,0,0|1,0,0]=2 39 B13R1.522 CC(=O)C(C)(C)c1ccc(cc1)Br 1458a_100000740082_200000210301 [0,1,0,0,0,0|2,0,0]=3 40 B13R1.522 CC(=O)C(C)(C)c1ccc(cc1)C 1458a_100000751694_200000210301 [0,1,0,0,0,0|2,0,0]=3 41 B13R1.522 CC(=O)C(C)(C)c1ccc(cc1)Cl 1458a_100000742901_200000210301 [0,1,0,0,0,0|2,0,0]=3 42 B13R1.522 CC(=O)C(C)(C)c1ccc(cc1)F 1458a_100000751650_200000210301 [0,1,0,0,0,0|2,0,0]=3 43 B13R1.522 CC(=O)C(C)(C)c1ccc(cc1)O 1458a_100000721645_200000210301 [0,1,0,0,0,0|2,0,0]=3 44 B13R1.522 CC(=O)C(C)(O)c1ccc(cc1)C 1458a_100011434902_200000210301 [0,1,0,0,0,0|1,0,0]=2 45 B13R1.522 CC(=O)C(C)(O)c1ccc(cc1)Cl 1458a_100000695402_200000210301 [0,1,0,0,0,0|1,0,0]=2 46 B13R1.522 CC(C)(C(=O)[13CH3])c1ccc(cc1)Br 1458a_100000740082_200025704644 [0,1,0,0,0,0|2,0,0]=3 47 B13R1.522 CC(C)(C(=O)[13CH3])c1ccc(cc1)Cl 1458a_100000742901_200025704644 [0,1,0,0,0,0|2,0,0]=3 48 B13R1.522 CC(C)(C(=O)[13CH3])c1ccc(cc1)F 1458a_100000751650_200025704644 [0,1,0,0,0,0|2,0,0]=3 49 B13R1.522 CC(C)(C(=O)[13CH3])c1ccc(cc1)O 1458a_100000721645_200025704644 [0,1,0,0,0,0|2,0,0]=3 50 B13R1.522 CC(O)(C(=O)[13CH3])c1ccc(cc1)Cl 1458a_100000695402_200025704644 [0,1,0,0,0,0|1,0,0]=2 51 B13R1.522 Cc1ccc(cc1)C(C)(C)C(=O)[13CH3] 1458a_100000751694_200025704644 [0,1,0,0,0,0|2,0,0]=3 52 B13R1.522 Cc1ccc(cc1)C(C)(O)C(=O)[13CH3] 1458a_100011434902_200025704644 [0,1,0,0,0,0|1,0,0]=2 53 B13R1.708 C#CC(=O)C(C)(C)c1ccccc1 1458a_100000211873_100000034625 [0,1,0,0,0,0|2,0,0]=3 54 B13R1.708 C#CC(=O)C(F)(F)c1ccccc1 1458a_100000211873_100000036403 [0,1,0,0,0,0|3,0,0]=4 55 B13R1.708 C=CC(=O)C(C)(C)c1ccccc1 1458a_100000185746_100000034625 [0,1,0,0,0,0|2,0,0]=3 56 B13R1.708 C=CC(=O)C(F)(F)c1ccccc1 1458a_100000185746_100000036403 [0,1,0,0,0,0|3,0,0]=4 57 B13R1.708 CC(C)(C(=O)CF)c1ccccc1 1458a_100000211857_100015361967 [0,1,0,0,0,0|2,0,0]=3 58 B13R1.708 CC(C)(C(=O)CO)c1ccccc1 1458a_100000210174_100000034625 [0,1,0,0,0,0|1,0,0]=2 59 B13R1.708 CCC(=O)C(C)(C)c1ccccc1 1458a_100000210414_100000034625 [0,1,0,0,0,0|2,0,0]=3 60 B13R1.708 CCC(=O)C(C)(C)c1ccccc1 1458a_100000211857_100000210202 [0,1,0,0,0,0|2,0,0]=3 61 B13R1.708 CCC(=O)C(F)(F)c1ccccc1 1458a_100000210414_100000036403 [0,1,0,0,0,0|3,0,0]=4 62 B13R1.708 CCC(=O)[C@](C)(O)c1ccccc1 1458a_100000753667_100000210202 [0,1,0,0,0,0|1,0,0]=2 63 B13R1.708 CNC(=O)C(C)(C)c1ccccc1 11a_106832991635_100000211857 [0,1,0,0,0,0|2,0,0]=3 64 B13R1.708 CNC(=O)C(C)(C)c1ccccc1 1626a_100102657272_100000211857 [0,1,0,0,0,0|2,0,0]=3 65 B13R1.708 CNC(=O)C(C)(C)c1ccccc1 240690a_100102657272_100000211857 [0,1,0,0,0,0|2,0,0]=3 66 B13R1.708 CNC(=O)C(C)(C)c1ccccc1 527a_100102657272_100000211857 [0,1,0,0,0,0|2,0,0]=3 67 B13R1.708 CNC(=O)C(F)(F)c1ccccc1 11a_106832991635_100000182030 [0,1,0,0,0,0|3,0,0]=4 68 B13R1.708 CNC(=O)C(F)(F)c1ccccc1 1626a_100102657272_100000182030 [0,1,0,0,0,0|3,0,0]=4 69 B13R1.708 CNC(=O)C(F)(F)c1ccccc1 240690a_100102657272_100000182030 [0,1,0,0,0,0|3,0,0]=4 70 B13R1.708 CNC(=O)C(F)(F)c1ccccc1 527a_100102657272_100000182030 [0,1,0,0,0,0|3,0,0]=4 71 B13R1.708 CNC(=O)[C@](C)(O)c1ccccc1 240690a_100102657272_100000753667 [0,1,0,0,0,0|1,0,0]=2 72 B13R1.708 C[C@](O)(C(=O)CF)c1ccccc1 1458a_100000753667_100015361967 [0,1,0,0,0,0|1,0,0]=2 73 B13R1.708 O=C(CO)C(F)(F)c1ccccc1 1458a_100000210174_100000036403 [0,1,0,0,0,0|2,0,0]=3 74 B13R1.3085 CCC(O)(C(=O)C)c1ccccc1 1458a_100011434905_200000210301 [0,1,0,0,0,0|1,0,0]=2 75 B13R1.3085 CCC(O)(C(=O)[13CH3])c1ccccc1 1458a_100011434905_200025704644 [0,1,0,0,0,0|1,0,0]=2 76 B13R1.3493 CC(=O)C(C)(C)c1cccc(c1)Br 1458a_100000749669_200000210301 [0,1,0,0,0,0|2,0,0]=3 77 B13R1.3493 CC(=O)C(C)(C)c1cccc(c1)Cl 1458a_100000758063_200000210301 [0,1,0,0,0,0|2,0,0]=3 78 B13R1.3493 CC(C)(C(=O)N)c1cccc(c1)O 271570a_203496583355_200009815690 [0,1,0,0,0,0|2,0,0]=3 79 B13R1.3493 CC(C)(C(=O)[13CH3])c1cccc(c1)Br 1458a_100000749669_200025704644 [0,1,0,0,0,0|2,0,0]=3 80 B13R1.3493 CC(C)(C(=O)[13CH3])c1cccc(c1)Cl 1458a_100000758063_200025704644 [0,1,0,0,0,0|2,0,0]=3 81 B13R1.3802 CC(=O)C(C)(C)c1ccccc1F 1458a_100000748980_200000210301 [0,1,0,0,0,0|2,0,0]=3 82 B13R1.3802 CC(=O)C(C)(C)c1cccnc1Cl 1458a_100011017506_200000210301 [0,1,0,0,0,0|3,0,0]=4 83 B13R1.3802 CC(=O)C(F)(F)c1ccccc1F 1458a_100000070787_100000070671 [0,1,0,0,0,0|3,0,0]=4 84 B13R1.3802 CC(C)(C(=O)[13CH3])c1ccccc1F 1458a_100000748980_200025704644 [0,1,0,0,0,0|2,0,0]=3 85 B13R1.3802 CC(C)(C(=O)[13CH3])c1cccnc1Cl 1458a_100011017506_200025704644 [0,1,0,0,0,0|3,0,0]=4 86 B13R2.439 CC(=O)C1(CC1)c2ccccc2 1458a_100000211650_200000210301 [0,0,0,1,0,0|2,0,0]=3 87 B13R2.439 CC(=O)C1(CC1)c2ccccn2 1458a_106256046498_200000210301 [0,0,0,1,0,0|3,0,0]=4 88 B13R2.439 CC(=O)C1(CC1)c2cccnc2 1458a_100000717079_200000210301 [0,0,0,1,0,0|3,0,0]=4 89 B13R2.439 [13CH3]C(=O)C1(CC1)c2ccccc2 1458a_100000211650_200025704644 [0,0,0,1,0,0|2,0,0]=3 90 B13R2.439 [13CH3]C(=O)C1(CC1)c2ccccn2 1458a_106256046498_200025704644 [0,0,0,1,0,0|3,0,0]=4 91 B13R2.439 [13CH3]C(=O)C1(CC1)c2cccnc2 1458a_100000717079_200025704644 [0,0,0,1,0,0|3,0,0]=4 92 B11R1.173 CC(=O)C(C)(C)c1cccs1 1458a_100000756239_200000210301 [0,0,0,0,1,0|3,0,0]=4 93 B11R1.173 CC(C)(C(=O)[13CH3])c1cccs1 1458a_100000756239_200025704644 [0,0,0,0,1,0|3,0,0]=4 94 B13R1.347 CC(=O)CC(C)(C)c1ccccc1 1458a_100011409233_200000210301 [0,0,0,0,0,1|2,0,0]=3 95 B13R1.347 CC(=O)C[Si](C)(C)c1ccccc1 1458a_100000070787_100000038972 [0,0,0,0,0,1|2,1,0]=4 96 B13R1.347 CC(=O)NC(C)(C)c1ccccc1 11a_100011218174_100015343762 [0,0,0,0,0,1|2,0,0]=3 97 B13R1.347 CC(=O)NC(C)(C)c1ccccc1 1626a_100011218174_100015343762 [0,0,0,0,0,1|2,0,0]=3 98 B13R1.347 CC(=O)NC(C)(C)c1ccccc1 240690a_100011218174_100015343762 [0,0,0,0,0,1|2,0,0]=3 99 B13R1.347 CC(=O)NC(C)(C)c1ccccc1 527a_100011218174_100103153847 [0,0,0,0,0,1|2,0,0]=3 100 B13R1.347 CC(=O)NC(C)(C)c1ccccn1 11a_100011999416_100015343762 [0,0,0,0,0,1|3,0,0]=4 101 B13R1.347 CC(=O)NC(C)(C)c1ccccn1 1626a_100011999416_100015343762 [0,0,0,0,0,1|3,0,0]=4 102 B13R1.347 CC(=O)NC(C)(C)c1ccccn1 240690a_100011999416_100015343762 [0,0,0,0,0,1|3,0,0]=4 103 B13R1.347 CC(=O)NC(C)(C)c1ccccn1 527a_100011999416_100103153847 [0,0,0,0,0,1|3,0,0]=4 104 B13R1.347 CC(=O)NC(C)(C)c1cccnc1 11a_100011376175_100015343762 [0,0,0,0,0,1|3,0,0]=4 105 B13R1.347 CC(=O)NC(C)(C)c1cccnc1 1626a_100011376175_100015343762 [0,0,0,0,0,1|3,0,0]=4 106 B13R1.347 CC(=O)NC(C)(C)c1cccnc1 240690a_100011376175_100015343762 [0,0,0,0,0,1|3,0,0]=4 107 B13R1.347 CC(=O)NC(C)(C)c1cccnc1 527a_100011376175_100103153847 [0,0,0,0,0,1|3,0,0]=4 108 B13R1.347 CC(C)(CC(=O)[13CH3])c1ccccc1 1458a_100011409233_200025704644 [0,0,0,0,0,1|2,0,0]=3 109 B13R1.347 CN(C)CC(C)(O)c1ccccc1 2230a_100011660921_200000210301 [0,0,0,0,0,1|3,0,0]=4 110 B13R1.347 CN(C)CC(C)(O)c1ccccc1 269982a_100011660921_200000210301 [0,0,0,0,0,1|3,0,0]=4 111 B13R1.347 CN([13CH3])CC(C)(O)c1ccccc1 2230a_100011660921_200025704644 [0,0,0,0,0,1|3,0,0]=4 112 B13R1.347 CN([13CH3])CC(C)(O)c1ccccc1 269982a_100011660921_200025704644 [0,0,0,0,0,1|3,0,0]=4 113 B13R1.1073 CC(=O)C(C)(C)Cc1ccccc1 1458a_100000757416_200000210301 [0,0,0,0,0,1|2,0,0]=3 114 B13R1.1073 CC(=O)C(C)(C)Oc1ccccc1 1458a_100000743201_200000210301 [0,0,0,0,0,1|2,0,0]=3 115 B13R1.1073 CC(=O)C(C)(C)Oc1ccccc1 7a_100000210340_100000075568 [0,0,0,0,0,1|2,0,0]=3 116 B13R1.1073 CC(=O)C(C)(C)Oc1cccnc1 7a_100000210849_100000075568 [0,0,0,0,0,1|3,0,0]=4 117 B13R1.1073 CC(=O)C(C)(C)Sc1ccccc1 62a_100000075568_100000041952 [0,0,0,0,0,1|2,0,0]=3 118 B13R1.1073 CC(=O)C(C)(C)Sc1ccccc1 62a_100000719477_100000075568 [0,0,0,0,0,1|2,0,0]=3 119 B13R1.1073 CC(=O)C(C)(C)Sc1ccccn1 62a_100000075568_100011216584 [0,0,0,0,0,1|3,0,0]=4 120 B13R1.1073 CC(=O)C(C)(C)Sc1ccccn1 62a_100011216584_100000075568 [0,0,0,0,0,1|3,0,0]=4 121 B13R1.1073 CC(=O)C(C)(C)Sc1cccnc1 62a_100000075568_100000210063 [0,0,0,0,0,1|3,0,0]=4 122 B13R1.1073 CC(=O)C(C)(C)Sc1cccnc1 62a_100000210063_100000075568 [0,0,0,0,0,1|3,0,0]=4 123 B13R1.1073 CC(=O)C(C)(C)Sc1ccncc1 62a_100000075568_100000728582 [0,0,0,0,0,1|3,0,0]=4 124 B13R1.1073 CC(=O)C(C)(C)Sc1ccncc1 62a_100000728582_100000075568 [0,0,0,0,0,1|3,0,0]=4 125 B13R1.1073 CC(=O)C(F)(F)Oc1ccccc1 1458a_100000070787_200000057402 [0,0,0,0,0,1|3,0,0]=4 126 B13R1.1073 CC(C)(Cc1ccccc1)C(=O)[13CH3] 1458a_100000757416_200025704644 [0,0,0,0,0,1|2,0,0]=3 127 B13R1.1073 CC(C)(Nc1ccccc1)C(=O)N 34a_100000106764_100000702505 [0,0,0,0,0,1|2,0,0]=3 128 B13R1.1073 CC(C)(Oc1ccccc1)C(=O)N 34a_100000210340_100000702505 [0,0,0,0,0,1|2,0,0]=3 129 B13R1.1073 CC(C)(Oc1ccccc1)C(=O)N 7a_100000210340_100000702505 [0,0,0,0,0,1|2,0,0]=3 130 B13R1.1073 CC(C)(Oc1ccccc1)C(=O)[13CH3] 1458a_100000743201_200025704644 [0,0,0,0,0,1|2,0,0]=3 131 B13R1.1073 CC(C)(Oc1cccnc1)C(=O)N 34a_100000210849_100000702505 [0,0,0,0,0,1|3,0,0]=4 132 B13R1.1073 CC(C)(Oc1cccnc1)C(=O)N 7a_100000210849_100000702505 [0,0,0,0,0,1|3,0,0]=4 133 B13R1.1073 CC(C)(Oc1ccncc1)C(=O)N 34a_100000212176_100000702505 [0,0,0,0,0,1|3,0,0]=4 134 B13R1.1073 CC(C)(Sc1ccccc1)C(=O)N 62a_100000702505_100000041952 [0,0,0,0,0,1|2,0,0]=3 135 B13R1.1073 CC(C)(Sc1ccccc1)C(=O)N 62a_100000719477_100000702505 [0,0,0,0,0,1|2,0,0]=3 136 B13R1.1073 CC(C)(Sc1ccccc1)[N+](=O)[O-] 62a_100000719477_200009813997 [0,0,0,0,0,1|2,0,1]=4 137 B13R1.1073 CC(C)(Sc1ccccc1)[N+](=O)[O-] 62a_200009813997_100000041952 [0,0,0,0,0,1|2,0,1]=4 138 B13R1.1073 CC(C)(Sc1ccccn1)C(=O)N 62a_100000702505_100011216584 [0,0,0,0,0,1|3,0,0]=4 139 B13R1.1073 CC(C)(Sc1ccccn1)C(=O)N 62a_100011216584_100000702505 [0,0,0,0,0,1|3,0,0]=4 140 B13R1.1073 CC(C)(Sc1cccnc1)C(=O)N 62a_100000210063_100000702505 [0,0,0,0,0,1|3,0,0]=4 141 B13R1.1073 CC(C)(Sc1cccnc1)C(=O)N 62a_100000702505_100000210063 [0,0,0,0,0,1|3,0,0]=4 142 B13R1.1073 CC(C)(Sc1ccncc1)C(=O)N 62a_100000702505_100000728582 [0,0,0,0,0,1|3,0,0]=4 143 B13R1.1073 CC(C)(Sc1ccncc1)C(=O)N 62a_100000728582_100000702505 [0,0,0,0,0,1|3,0,0]=4 144 B13R1.1073 NC(=O)C(F)(F)Oc1ccccc1 7a_100000210340_100009811971 [0,0,0,0,0,1|3,0,0]=4 145 B13R1.1073 NC(=O)C(F)(F)Sc1ccccc1 62a_100000719477_100009811971 [0,0,0,0,0,1|3,0,0]=4 146 B13R1.1073 NC(=O)C(F)(F)Sc1ccccc1 62a_100009811971_100000041952 [0,0,0,0,0,1|3,0,0]=4 147 B13R1.1073 O=C([O-])C(F)(F)Nc1ccccc1 34a_100000106764_100020612412 [0,0,0,0,0,1|2,0,1]=4 148 B13R1.1073 O=C([O-])C(F)(F)Oc1ccccc1 34a_100000210340_100020612412 [0,0,0,0,0,1|2,0,1]=4 149 B13R1.1073 O=C([O-])C(F)(F)Sc1ccccc1 62a_100000719477_100000745680 [0,0,0,0,0,1|2,0,1]=4 150 B13R1.1073 O=C([O-])C(F)(F)Sc1ccccc1 62a_100000745680_100000041952 [0,0,0,0,0,1|2,0,1]=4 151 B10R0.81 C=CC=CC(=O)C(C)C(=O)C 1458a_100016291481_100000179758 [1,0,1,0,0,0|2,0,0]=4 152 B10R0.81 C=CC=CC(=O)C(C)C(=O)N 1458a_100016291481_100000702099 [1,0,1,0,0,0|2,0,0]=4 153 B10R1.15 CC(S[13CH3])c1ccccc1 62a_100000230085_200025704644 [2,0,0,0,0,0|2,0,0]=4 154 B10R1.15 CC(S[13CH3])c1ccccc1 62a_200025704644_100000230085 [2,0,0,0,0,0|2,0,0]=4 155 B10R1.15 CNC(C)c1ccccc1 2230a_106832991635_100000230085 [2,0,0,0,0,0|2,0,0]=4 156 B10R1.15 CNC(C)c1ccccc1 269862a_106832991636_100000185851 [2,0,0,0,0,0|2,0,0]=4 157 B10R1.15 CNC(C)c1ccccc1 34a_100102657272_100000211855 [2,0,0,0,0,0|2,0,0]=4 158 B10R1.15 CNC(C)c1ccccc1 7a_106832991635_100000230085 [2,0,0,0,0,0|2,0,0]=4 159 B10R1.15 CN[C@H](C)c1ccccc1 2230a_100000751104_200000210301 [2,0,0,0,0,0|2,0,0]=4 160 B10R1.15 COC(C)c1ccccc1 34a_100138415774_100000211855 [2,0,0,0,0,0|2,0,0]=4 161 B10R1.15 CO[C@H](C)c1ccccc1 34a_100000761318_200000210301 [2,0,0,0,0,0|2,0,0]=4 162 B10R1.15 CO[C@H](C)c1ccccc1 7a_100000761318_200000210301 [2,0,0,0,0,0|2,0,0]=4 163 B10R1.15 CSC(C)c1ccccc1 62a_100000230085_200000210301 [2,0,0,0,0,0|2,0,0]=4 164 B10R1.15 CSC(C)c1ccccc1 62a_200000210301_100000230085 [2,0,0,0,0,0|2,0,0]=4 165 B10R1.15 C[C@@H](N[13CH3])c1ccccc1 2230a_100000751104_200025704644 [2,0,0,0,0,0|2,0,0]=4 166 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 34a_100000761318_200025704644 [2,0,0,0,0,0|2,0,0]=4 167 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 7a_100000761318_200025704644 [2,0,0,0,0,0|2,0,0]=4 168 B10R1.18 CC(=O)C[n+]1ccccc1 1458a_200000086051_200000210301 [2,0,0,0,0,0|2,0,0]=4 169 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [2,0,0,0,0,0|1,0,0]=3 170 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000070787_100000721315 [2,0,0,0,0,0|2,0,0]=4 171 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000233486_200000210301 [2,0,0,0,0,0|2,0,0]=4 172 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000070787_100000733263 [2,0,0,0,0,0|2,0,0]=4 173 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000737805_200000210301 [2,0,0,0,0,0|2,0,0]=4 174 B10R1.18 CC(=O)Cc1ccncc1 1458a_100000070787_100000705612 [2,0,0,0,0,0|2,0,0]=4 175 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [2,0,0,0,0,0|2,0,0]=4 176 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [2,0,0,0,0,0|2,0,0]=4 177 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [2,0,0,0,0,0|2,0,0]=4 178 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [2,0,0,0,0,0|2,0,0]=4 179 B10R1.18 [13CH3]C(=O)C[n+]1ccccc1 1458a_200000086051_200025704644 [2,0,0,0,0,0|2,0,0]=4 180 B10R1.18 [13CH3]C(=O)Cc1ccccn1 1458a_100000233486_200025704644 [2,0,0,0,0,0|2,0,0]=4 181 B10R1.18 [13CH3]C(=O)Cc1cccnc1 1458a_100000737805_200025704644 [2,0,0,0,0,0|2,0,0]=4 182 B12R1.9 CC(C)(C=O)c1ccc(cc1)O 271570a_203496583355_100010228009 [1,1,0,0,0,0|1,0,0]=3 183 B12R1.10 CC(C)(CO)c1cccc(c1)O 271570a_203496583355_200010233077 [1,1,0,0,0,0|1,0,1]=4 184 B12R1.39 CC(C)(CO[13CH3])c1ccccc1 7a_100000747608_200025704644 [1,1,0,0,0,0|1,0,1]=4 185 B12R1.39 CC(O)(CN[13CH3])c1ccccc1 2230a_100011660926_200025704644 [1,1,0,0,0,0|1,0,1]=4 186 B12R1.39 CNCC(C)(O)c1ccccc1 2230a_100011660926_200000210301 [1,1,0,0,0,0|1,0,1]=4 187 B12R1.39 COCC(C)(C)c1ccccc1 7a_100000747608_200000210301 [1,1,0,0,0,0|1,0,1]=4 188 B12R1.475 C#CC(C)(OC)c1ccccc1 34a_100000198054_200000210301 [1,1,0,0,0,0|1,0,1]=4 189 B12R1.475 C#CC(C)(OC)c1ccccc1 7a_100000198054_200000210301 [1,1,0,0,0,0|1,0,1]=4 190 B12R1.475 C#CC(C)(O[13CH3])c1ccccc1 34a_100000198054_200025704644 [1,1,0,0,0,0|1,0,1]=4 191 B12R1.475 C#CC(C)(O[13CH3])c1ccccc1 7a_100000198054_200025704644 [1,1,0,0,0,0|1,0,1]=4 192 B12R1.475 CCC(C)(OC)c1ccccc1 7a_100000748282_200000210301 [1,1,0,0,0,0|1,0,1]=4 193 B12R1.475 CCC(C)(O[13CH3])c1ccccc1 7a_100000748282_200025704644 [1,1,0,0,0,0|1,0,1]=4 194 B12R1.20 CC(=O)C(C)c1ccc(cc1)Br 1458a_100000070787_100000755118 [1,1,0,0,0,0|1,0,0]=3 195 B12R1.20 CC(=O)C(C)c1ccc(cc1)C 1458a_100000070787_100011261388 [1,1,0,0,0,0|1,0,0]=3 196 B12R1.20 CC(=O)C(C)c1ccc(cc1)C 1458a_100000751627_200000210301 [1,1,0,0,0,0|1,0,0]=3 197 B12R1.20 CC(=O)C(C)c1ccc(cc1)Cl 1458a_100000070787_100000684792 [1,1,0,0,0,0|1,0,0]=3 198 B12R1.20 CC(=O)C(C)c1ccc(cc1)Cl 1458a_100011216001_200000210301 [1,1,0,0,0,0|1,0,0]=3 199 B12R1.20 CC(=O)C(C)c1ccc(cc1)F 1458a_100000070787_100000743420 [1,1,0,0,0,0|1,0,0]=3 200 B12R1.20 CC(=O)C(C)c1ccc(cc1)F 1458a_100011435297_200000210301 [1,1,0,0,0,0|1,0,0]=3 201 B12R1.20 CC(=O)C(C)c1ccc(cc1)O 1458a_100000031422_200000210301 [1,1,0,0,0,0|1,0,0]=3 202 B12R1.20 CC(=O)C(F)c1ccc(cc1)Cl 1458a_100012277543_200000210301 [1,1,0,0,0,0|2,0,0]=4 203 B12R1.20 CC(=O)C(O)c1ccc(cc1)Br 1458a_100000756554_200000210301 [1,1,0,0,0,0|1,0,0]=3 204 B12R1.20 CC(=O)C(O)c1ccc(cc1)F 1458a_100000209909_200000210301 [1,1,0,0,0,0|1,0,0]=3 205 B12R1.20 CC(=O)C(O)c1ccc(cc1)O 1458a_100011215213_200000210301 [1,1,0,0,0,0|1,0,0]=3 206 B12R1.20 CC(=O)N(C)c1ccc(cc1)Br 11a_100000219623_100015343762 [1,1,0,0,0,0|2,0,0]=4 207 B12R1.20 CC(=O)N(C)c1ccc(cc1)Br 1626a_100000219623_100015343762 [1,1,0,0,0,0|2,0,0]=4 208 B12R1.20 CC(=O)N(C)c1ccc(cc1)Br 22a_100000219623_100000070787 [1,1,0,0,0,0|2,0,0]=4 209 B12R1.20 CC(=O)N(C)c1ccc(cc1)C 11a_100000219977_100015343762 [1,1,0,0,0,0|2,0,0]=4 210 B12R1.20 CC(=O)N(C)c1ccc(cc1)C 1626a_100000219977_100015343762 [1,1,0,0,0,0|2,0,0]=4 211 B12R1.20 CC(=O)N(C)c1ccc(cc1)C 22a_100000219977_100000070787 [1,1,0,0,0,0|2,0,0]=4 212 B12R1.20 CC(=O)N(C)c1ccc(cc1)Cl 11a_100020629279_100015343762 [1,1,0,0,0,0|2,0,0]=4 213 B12R1.20 CC(=O)N(C)c1ccc(cc1)Cl 1626a_100020629279_100015343762 [1,1,0,0,0,0|2,0,0]=4 214 B12R1.20 CC(=O)N(C)c1ccc(cc1)Cl 22a_100020629279_100000070787 [1,1,0,0,0,0|2,0,0]=4 215 B12R1.20 CC(=O)N(C)c1ccc(cc1)F 11a_100000219829_100015343762 [1,1,0,0,0,0|2,0,0]=4 216 B12R1.20 CC(=O)N(C)c1ccc(cc1)F 1626a_100000219829_100015343762 [1,1,0,0,0,0|2,0,0]=4 217 B12R1.20 CC(=O)N(C)c1ccc(cc1)F 22a_100000219829_100000070787 [1,1,0,0,0,0|2,0,0]=4 218 B12R1.20 CC(=O)N(C)c1ccc(cc1)I 11a_100000743151_100015343762 [1,1,0,0,0,0|2,0,0]=4 219 B12R1.20 CC(=O)N(C)c1ccc(cc1)I 1626a_100000743151_100015343762 [1,1,0,0,0,0|2,0,0]=4 220 B12R1.20 CC(=O)N(C)c1ccc(cc1)I 22a_100000743151_100000070787 [1,1,0,0,0,0|2,0,0]=4 221 B12R1.20 CC(=O)N(C)c1ccc(cc1)O 22a_100000182112_100000070787 [1,1,0,0,0,0|2,0,0]=4 222 B12R1.20 CC(=O)N(C)c1ccc(cc1)O 271570a_203496583355_200009816415 [1,1,0,0,0,0|2,0,0]=4 223 B12R1.20 CC(=O)N(C)c1ccc(cc1)O 527a_100000182112_100103153847 [1,1,0,0,0,0|2,0,0]=4 224 B12R1.20 CC(=O)[C@H](O)c1ccc(cc1)C 1458a_100009815954_200000210301 [1,1,0,0,0,0|1,0,0]=3 225 B12R1.20 CC(=O)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_200000210301 [1,1,0,0,0,0|1,0,0]=3 226 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)Cl 1458a_100011216001_200025704644 [1,1,0,0,0,0|1,0,0]=3 227 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)F 1458a_100011435297_200025704644 [1,1,0,0,0,0|1,0,0]=3 228 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)O 1458a_100000031422_200025704644 [1,1,0,0,0,0|1,0,0]=3 229 B12R1.20 Cc1ccc(cc1)C(C)C(=O)[13CH3] 1458a_100000751627_200025704644 [1,1,0,0,0,0|1,0,0]=3 230 B12R1.20 Cc1ccc(cc1)[C@@H](O)C(=O)[13CH3] 1458a_100009815954_200025704644 [1,1,0,0,0,0|1,0,0]=3 231 B12R1.20 [13CH3]C(=O)C(F)c1ccc(cc1)Cl 1458a_100012277543_200025704644 [1,1,0,0,0,0|2,0,0]=4 232 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)Br 1458a_100000756554_200025704644 [1,1,0,0,0,0|1,0,0]=3 233 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)F 1458a_100000209909_200025704644 [1,1,0,0,0,0|1,0,0]=3 234 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)O 1458a_100011215213_200025704644 [1,1,0,0,0,0|1,0,0]=3 235 B12R1.20 [13CH3]C(=O)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_200025704644 [1,1,0,0,0,0|1,0,0]=3 236 B12R1.34 C#CC(=O)C(C)c1ccccc1 1458a_100000211873_100000230085 [1,1,0,0,0,0|1,0,0]=3 237 B12R1.34 C=CC(=O)C(C)c1ccccc1 1458a_100000185746_100000230085 [1,1,0,0,0,0|1,0,0]=3 238 B12R1.34 C=CC(=O)N(C)c1ccccc1 1626a_100000210012_100000185746 [1,1,0,0,0,0|2,0,0]=4 239 B12R1.34 C=CC(=O)N(C)c1ccccc1 22a_100000210012_100000185746 [1,1,0,0,0,0|2,0,0]=4 240 B12R1.34 CC(C(=O)CF)c1ccccn1 1458a_100000722050_100015361967 [1,1,0,0,0,0|2,0,0]=4 241 B12R1.34 CC(C(=O)CO)c1ccccc1 1458a_100000210174_100000230085 [1,1,0,0,0,0|0,0,0]=2 242 B12R1.34 CC(C(=O)CO)c1cnccn1 1458a_100000210174_200000703233 [1,1,0,0,0,0|2,0,0]=4 243 B12R1.34 CCC(=O)C(C)c1ccccc1 1458a_100000210414_100000230085 [1,1,0,0,0,0|1,0,0]=3 244 B12R1.34 CCC(=O)C(C)c1ccccn1 1458a_100000722050_100000210202 [1,1,0,0,0,0|2,0,0]=4 245 B12R1.34 CCC(=O)C(F)c1ccccc1 1458a_100000698975_100000210202 [1,1,0,0,0,0|2,0,0]=4 246 B12R1.34 CCC(=O)N(C)c1ccccc1 11a_100000210012_100000210414 [1,1,0,0,0,0|2,0,0]=4 247 B12R1.34 CCC(=O)N(C)c1ccccc1 1626a_100000210012_100000210414 [1,1,0,0,0,0|2,0,0]=4 248 B12R1.34 CCC(=O)N(C)c1ccccc1 22a_100000210012_100000210414 [1,1,0,0,0,0|2,0,0]=4 249 B12R1.34 CCC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000210202 [1,1,0,0,0,0|1,0,0]=3 250 B12R1.34 CCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000210202 [1,1,0,0,0,0|1,0,0]=3 251 B12R1.34 CN(C(=O)CO)c1ccccc1 22a_100000210012_100000210174 [1,1,0,0,0,0|1,0,0]=3 252 B12R1.34 CNC(=O)C(C)c1ccccn1 11a_106832991635_100000722050 [1,1,0,0,0,0|2,0,0]=4 253 B12R1.34 CNC(=O)C(C)c1ccccn1 1626a_100102657272_100000722050 [1,1,0,0,0,0|2,0,0]=4 254 B12R1.34 CNC(=O)C(C)c1ccccn1 240690a_100102657272_100000722050 [1,1,0,0,0,0|2,0,0]=4 255 B12R1.34 CNC(=O)C(C)c1ccccn1 527a_100102657272_100000722050 [1,1,0,0,0,0|2,0,0]=4 256 B12R1.34 CNC(=O)C(F)c1ccccc1 11a_106832991635_100000698975 [1,1,0,0,0,0|2,0,0]=4 257 B12R1.34 CNC(=O)C(F)c1ccccc1 1626a_100102657272_100000698975 [1,1,0,0,0,0|2,0,0]=4 258 B12R1.34 CNC(=O)C(F)c1ccccc1 240690a_100102657272_100000698975 [1,1,0,0,0,0|2,0,0]=4 259 B12R1.34 CNC(=O)C(F)c1ccccc1 527a_100102657272_100000698975 [1,1,0,0,0,0|2,0,0]=4 260 B12R1.34 CNC(=O)N(C)c1ccccc1 512a_106832991638_100000210012 [1,1,0,0,0,0|2,0,0]=4 261 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 11a_106832991635_100000751047 [1,1,0,0,0,0|1,0,0]=3 262 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 1626a_100102657272_100000751047 [1,1,0,0,0,0|1,0,0]=3 263 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 240690a_100102657272_100000751047 [1,1,0,0,0,0|1,0,0]=3 264 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 527a_100102657272_100000751047 [1,1,0,0,0,0|1,0,0]=3 265 B12R1.34 CNC(=O)[C@H](O)c1ccccc1 240690a_100102657272_100000684486 [1,1,0,0,0,0|1,0,0]=3 266 B12R1.34 C[C@H](C(=O)CF)c1ccccc1 1458a_100000751047_100015361967 [1,1,0,0,0,0|1,0,0]=3 267 B12R1.34 O=C(CF)C(F)c1ccccc1 1458a_100000698975_100015361967 [1,1,0,0,0,0|2,0,0]=4 268 B12R1.34 O=C(CF)[C@H](O)c1ccccc1 1458a_100000684486_100015361967 [1,1,0,0,0,0|1,0,0]=3 269 B12R1.124 CC(=O)C(C)c1ccccc1Br 1458a_100012359601_200000210301 [1,1,0,0,0,0|1,0,0]=3 270 B12R1.124 CC(=O)C(C)c1ccccc1Cl 1458a_100000070787_100000181259 [1,1,0,0,0,0|1,0,0]=3 271 B12R1.124 CC(=O)C(C)c1ccccc1Cl 1458a_100011667492_200000210301 [1,1,0,0,0,0|1,0,0]=3 272 B12R1.124 CC(=O)C(C)c1ccccc1F 1458a_100000070787_200000741388 [1,1,0,0,0,0|1,0,0]=3 273 B12R1.124 CC(=O)C(O)c1ccccc1Br 1458a_200011356456_200000210301 [1,1,0,0,0,0|1,0,0]=3 274 B12R1.124 CC(=O)C(O)c1ccccc1Cl 1458a_100011217820_200000210301 [1,1,0,0,0,0|1,0,0]=3 275 B12R1.124 CC(=O)C(O)c1ccccc1F 1458a_100011219519_200000210301 [1,1,0,0,0,0|1,0,0]=3 276 B12R1.124 CC(=O)N(C)c1ccccc1Br 11a_100020606079_100015343762 [1,1,0,0,0,0|2,0,0]=4 277 B12R1.124 CC(=O)N(C)c1ccccc1Br 1626a_100020606079_100015343762 [1,1,0,0,0,0|2,0,0]=4 278 B12R1.124 CC(=O)N(C)c1ccccc1C 11a_100000219699_100015343762 [1,1,0,0,0,0|2,0,0]=4 279 B12R1.124 CC(=O)N(C)c1ccccc1C 1626a_100000219699_100015343762 [1,1,0,0,0,0|2,0,0]=4 280 B12R1.124 CC(=O)N(C)c1ccccc1C 22a_100000219699_100000070787 [1,1,0,0,0,0|2,0,0]=4 281 B12R1.124 CC(=O)N(C)c1ccccc1Cl 11a_100000219374_100015343762 [1,1,0,0,0,0|2,0,0]=4 282 B12R1.124 CC(=O)N(C)c1ccccc1Cl 1626a_100000219374_100015343762 [1,1,0,0,0,0|2,0,0]=4 283 B12R1.124 CC(=O)N(C)c1ccccc1F 11a_100000220357_100015343762 [1,1,0,0,0,0|2,0,0]=4 284 B12R1.124 CC(=O)N(C)c1ccccc1F 1626a_100000220357_100015343762 [1,1,0,0,0,0|2,0,0]=4 285 B12R1.124 CC(=O)N(C)c1ccccc1F 22a_100000220357_100000070787 [1,1,0,0,0,0|2,0,0]=4 286 B12R1.124 CC(=O)N(C)c1ccccc1O 22a_100000033821_100000070787 [1,1,0,0,0,0|2,0,0]=4 287 B12R1.124 CC(=O)N(C)c1ccccc1O 527a_100000033821_100103153847 [1,1,0,0,0,0|2,0,0]=4 288 B12R1.124 CC(C(=O)[13CH3])c1ccccc1Br 1458a_100012359601_200025704644 [1,1,0,0,0,0|1,0,0]=3 289 B12R1.124 CC(C(=O)[13CH3])c1ccccc1Cl 1458a_100011667492_200025704644 [1,1,0,0,0,0|1,0,0]=3 290 B12R1.124 [13CH3]C(=O)C(O)c1ccccc1Br 1458a_200011356456_200025704644 [1,1,0,0,0,0|1,0,0]=3 291 B12R1.124 [13CH3]C(=O)C(O)c1ccccc1Cl 1458a_100011217820_200025704644 [1,1,0,0,0,0|1,0,0]=3 292 B12R1.124 [13CH3]C(=O)C(O)c1ccccc1F 1458a_100011219519_200025704644 [1,1,0,0,0,0|1,0,0]=3 293 B12R1.225 CC(=O)C(C)c1cccc(c1)Br 1458a_100000722698_200000210301 [1,1,0,0,0,0|1,0,0]=3 294 B12R1.225 CC(=O)C(C)c1cccc(c1)Cl 1458a_100000762818_200000210301 [1,1,0,0,0,0|1,0,0]=3 295 B12R1.225 CC(=O)C(C)c1cccc(c1)F 1458a_100000762896_200000210301 [1,1,0,0,0,0|1,0,0]=3 296 B12R1.225 CC(=O)C(O)c1cccc(c1)C 1458a_100011434945_200000210301 [1,1,0,0,0,0|1,0,0]=3 297 B12R1.225 CC(=O)C(O)c1cccc(c1)Cl 1458a_100011216955_200000210301 [1,1,0,0,0,0|1,0,0]=3 298 B12R1.225 CC(=O)C(O)c1cccc(c1)F 1458a_100011434943_200000210301 [1,1,0,0,0,0|1,0,0]=3 299 B12R1.225 CC(=O)N(C)c1cccc(c1)Br 11a_100000219648_100015343762 [1,1,0,0,0,0|2,0,0]=4 300 B12R1.225 CC(=O)N(C)c1cccc(c1)Br 1626a_100000219648_100015343762 [1,1,0,0,0,0|2,0,0]=4 301 B12R1.225 CC(=O)N(C)c1cccc(c1)Br 22a_100000219648_100000070787 [1,1,0,0,0,0|2,0,0]=4 302 B12R1.225 CC(=O)N(C)c1cccc(c1)Br 527a_100000219648_100103153847 [1,1,0,0,0,0|2,0,0]=4 303 B12R1.225 CC(=O)N(C)c1cccc(c1)C 11a_100000219674_100015343762 [1,1,0,0,0,0|2,0,0]=4 304 B12R1.225 CC(=O)N(C)c1cccc(c1)C 1626a_100000219674_100015343762 [1,1,0,0,0,0|2,0,0]=4 305 B12R1.225 CC(=O)N(C)c1cccc(c1)C 22a_100000219674_100000070787 [1,1,0,0,0,0|2,0,0]=4 306 B12R1.225 CC(=O)N(C)c1cccc(c1)Cl 11a_100000220044_100015343762 [1,1,0,0,0,0|2,0,0]=4 307 B12R1.225 CC(=O)N(C)c1cccc(c1)Cl 1626a_100000220044_100015343762 [1,1,0,0,0,0|2,0,0]=4 308 B12R1.225 CC(=O)N(C)c1cccc(c1)Cl 22a_100000220044_100000070787 [1,1,0,0,0,0|2,0,0]=4 309 B12R1.225 CC(=O)N(C)c1cccc(c1)F 11a_100020633736_100015343762 [1,1,0,0,0,0|2,0,0]=4 310 B12R1.225 CC(=O)N(C)c1cccc(c1)F 1626a_100020633736_100015343762 [1,1,0,0,0,0|2,0,0]=4 311 B12R1.225 CC(=O)N(C)c1cccc(c1)F 22a_100020633736_100000070787 [1,1,0,0,0,0|2,0,0]=4 312 B12R1.225 CC(=O)N(C)c1cccc(c1)I 11a_100000221217_100015343762 [1,1,0,0,0,0|2,0,0]=4 313 B12R1.225 CC(=O)N(C)c1cccc(c1)I 1626a_100000221217_100015343762 [1,1,0,0,0,0|2,0,0]=4 314 B12R1.225 CC(=O)N(C)c1cccc(c1)I 22a_100000221217_100000070787 [1,1,0,0,0,0|2,0,0]=4 315 B12R1.225 CC(=O)N(C)c1cccc(c1)O 527a_100000756613_100103153847 [1,1,0,0,0,0|2,0,0]=4 316 B12R1.225 CC(=O)[C@H](C)c1cccc(c1)C 1458a_200009911544_200000210301 [1,1,0,0,0,0|1,0,0]=3 317 B12R1.225 CC(C(=O)[13CH3])c1cccc(c1)Br 1458a_100000722698_200025704644 [1,1,0,0,0,0|1,0,0]=3 318 B12R1.225 CC(C(=O)[13CH3])c1cccc(c1)Cl 1458a_100000762818_200025704644 [1,1,0,0,0,0|1,0,0]=3 319 B12R1.225 CC(C(=O)[13CH3])c1cccc(c1)F 1458a_100000762896_200025704644 [1,1,0,0,0,0|1,0,0]=3 320 B12R1.225 Cc1cccc(c1)C(O)C(=O)[13CH3] 1458a_100011434945_200025704644 [1,1,0,0,0,0|1,0,0]=3 321 B12R1.225 Cc1cccc(c1)[C@@H](C)C(=O)[13CH3] 1458a_200009911544_200025704644 [1,1,0,0,0,0|1,0,0]=3 322 B12R1.225 [13CH3]C(=O)C(O)c1cccc(c1)Cl 1458a_100011216955_200025704644 [1,1,0,0,0,0|1,0,0]=3 323 B12R1.225 [13CH3]C(=O)C(O)c1cccc(c1)F 1458a_100011434943_200025704644 [1,1,0,0,0,0|1,0,0]=3 324 B12R1.478 C=C(C)C(OC)c1ccccc1 34a_200011216824_200000210301 [1,1,0,0,0,0|2,0,0]=4 325 B12R1.478 C=C(C)C(OC)c1ccccc1 7a_200011216824_200000210301 [1,1,0,0,0,0|2,0,0]=4 326 B12R1.478 C=C(C)C(O[13CH3])c1ccccc1 34a_200011216824_200025704644 [1,1,0,0,0,0|2,0,0]=4 327 B12R1.478 C=C(C)C(O[13CH3])c1ccccc1 7a_200011216824_200025704644 [1,1,0,0,0,0|2,0,0]=4 328 B12R1.478 CC(=O)C(CO)c1ccccc1 1458a_100011218805_200000210301 [1,1,0,0,0,0|1,0,0]=3 329 B12R1.478 CC(=O)C(S[13CH3])c1ccccc1 62a_100009888967_200025704644 [1,1,0,0,0,0|1,0,0]=3 330 B12R1.478 CC(=O)C(S[13CH3])c1ccccc1 62a_200025704644_100009888967 [1,1,0,0,0,0|1,0,0]=3 331 B12R1.478 CCC(C(=O)C)c1ccccc1 1458a_100000211302_200000210301 [1,1,0,0,0,0|1,0,0]=3 332 B12R1.478 CCC(C(=O)[13CH3])c1ccccc1 1458a_100000211302_200025704644 [1,1,0,0,0,0|1,0,0]=3 333 B12R1.478 CCN(C(=O)C)c1ccccc1 11a_100000210013_100015343762 [1,1,0,0,0,0|2,0,0]=4 334 B12R1.478 CCN(C(=O)C)c1ccccc1 1626a_100000210013_100015343762 [1,1,0,0,0,0|2,0,0]=4 335 B12R1.478 CCN(C(=O)C)c1ccccc1 22a_100000210013_100000070787 [1,1,0,0,0,0|2,0,0]=4 336 B12R1.478 CNC(C(=O)C)c1ccccc1 2230a_106832991635_100009888967 [1,1,0,0,0,0|1,0,0]=3 337 B12R1.478 CNC(C(=O)C)c1ccccc1 7a_106832991635_100009888967 [1,1,0,0,0,0|1,0,0]=3 338 B12R1.478 CNC(C(=O)N)c1ccccc1 2230a_106832991635_100000188848 [1,1,0,0,0,0|1,0,0]=3 339 B12R1.478 CNC(C(=O)N)c1ccccc1 7a_106832991635_100000188848 [1,1,0,0,0,0|1,0,0]=3 340 B12R1.478 CNC(C(=O)O)c1ccccc1 269956a_100000230147_200000210301 [1,1,0,0,0,0|0,0,0]=2 341 B12R1.478 CNC(C(=O)O)c1ccccn1 269956a_200016167988_200000210301 [1,1,0,0,0,0|1,0,0]=3 342 B12R1.478 CN[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_200000210301 [1,1,0,0,0,0|1,0,0]=3 343 B12R1.478 CN[C@@H](C(=O)O)C1=CCC=CC1 269956a_100016989015_200000210301 [1,1,0,0,0,0|0,0,2]=4 344 B12R1.478 CN[C@@H](c1ccccc1)[C@H](C)O 2230a_100134616770_200000210301 [1,1,0,0,0,0|1,0,1]=4 345 B12R1.478 COC(C(=O)N)c1ccccc1 34a_100011200849_200000210301 [1,1,0,0,0,0|1,0,0]=3 346 B12R1.478 COC(C(=O)N)c1ccccc1 7a_100011200849_200000210301 [1,1,0,0,0,0|1,0,0]=3 347 B12R1.478 CO[C@@H](C(=O)C)c1ccccc1 1458a_100000698336_200000210301 [1,1,0,0,0,0|1,0,0]=3 348 B12R1.478 CO[C@@H](C(=O)[13CH3])c1ccccc1 1458a_100000698336_200025704644 [1,1,0,0,0,0|1,0,0]=3 349 B12R1.478 CSC(C(=O)C)c1ccccc1 62a_100009888967_200000210301 [1,1,0,0,0,0|1,0,0]=3 350 B12R1.478 CSC(C(=O)C)c1ccccc1 62a_200000210301_100009888967 [1,1,0,0,0,0|1,0,0]=3 351 B12R1.478 CSC(C(=O)N)c1ccccc1 62a_100000188848_200000210301 [1,1,0,0,0,0|1,0,0]=3 352 B12R1.478 CSC(C(=O)N)c1ccccc1 62a_200000210301_100000188848 [1,1,0,0,0,0|1,0,0]=3 353 B12R1.478 C[C@H](O)[C@@H](N[13CH3])c1ccccc1 2230a_100134616770_200025704644 [1,1,0,0,0,0|1,0,1]=4 354 B12R1.478 [13CH3]C(=O)C(CO)c1ccccc1 1458a_100011218805_200025704644 [1,1,0,0,0,0|1,0,0]=3 355 B12R1.478 [13CH3]NC(C(=O)O)c1ccccc1 269956a_100000230147_200025704644 [1,1,0,0,0,0|0,0,0]=2 356 B12R1.478 [13CH3]NC(C(=O)O)c1ccccn1 269956a_200016167988_200025704644 [1,1,0,0,0,0|1,0,0]=3 357 B12R1.478 [13CH3]N[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_200025704644 [1,1,0,0,0,0|1,0,0]=3 358 B12R1.478 [13CH3]N[C@@H](C(=O)O)C1=CCC=CC1 269956a_100016989015_200025704644 [1,1,0,0,0,0|0,0,2]=4 359 B12R1.478 [13CH3]OC(C(=O)N)c1ccccc1 34a_100011200849_200025704644 [1,1,0,0,0,0|1,0,0]=3 360 B12R1.478 [13CH3]OC(C(=O)N)c1ccccc1 7a_100011200849_200025704644 [1,1,0,0,0,0|1,0,0]=3 361 B12R1.478 [13CH3]SC(C(=O)N)c1ccccc1 62a_100000188848_200025704644 [1,1,0,0,0,0|1,0,0]=3 362 B12R1.478 [13CH3]SC(C(=O)N)c1ccccc1 62a_200025704644_100000188848 [1,1,0,0,0,0|1,0,0]=3 363 B14R1.694 CC(=O)CC(C)(C)c1ccc(cc1)C 1458a_200000181290_200000210301 [0,1,0,0,0,1|2,0,0]=4 364 B14R1.694 CC(=O)NC(C)(C)c1ccc(cc1)Br 11a_100000739617_100015343762 [0,1,0,0,0,1|2,0,0]=4 365 B14R1.694 CC(=O)NC(C)(C)c1ccc(cc1)Br 1626a_100000739617_100015343762 [0,1,0,0,0,1|2,0,0]=4 366 B14R1.694 CC(=O)NC(C)(C)c1ccc(cc1)Br 240690a_100000739617_100015343762 [0,1,0,0,0,1|2,0,0]=4 367 B14R1.694 CC(=O)NC(C)(C)c1ccc(cc1)Br 527a_100000739617_100103153847 [0,1,0,0,0,1|2,0,0]=4 368 B14R1.694 CC(=O)NC(C)(C)c1ccc(cc1)C 11a_200011345931_100015343762 [0,1,0,0,0,1|2,0,0]=4 369 B14R1.694 CC(=O)NC(C)(C)c1ccc(cc1)C 1626a_200011345931_100015343762 [0,1,0,0,0,1|2,0,0]=4 370 B14R1.694 CC(=O)NC(C)(C)c1ccc(cc1)C 240690a_200011345931_100015343762 [0,1,0,0,0,1|2,0,0]=4 371 B14R1.694 CC(=O)NC(C)(C)c1ccc(cc1)C 527a_200011345931_100103153847 [0,1,0,0,0,1|2,0,0]=4 372 B14R1.694 CC(=O)NC(C)(C)c1ccc(cc1)Cl 11a_100000750703_100015343762 [0,1,0,0,0,1|2,0,0]=4 373 B14R1.694 CC(=O)NC(C)(C)c1ccc(cc1)Cl 1626a_100000750703_100015343762 [0,1,0,0,0,1|2,0,0]=4 374 B14R1.694 CC(=O)NC(C)(C)c1ccc(cc1)Cl 240690a_100000750703_100015343762 [0,1,0,0,0,1|2,0,0]=4 375 B14R1.694 CC(=O)NC(C)(C)c1ccc(cc1)Cl 527a_100000750703_100103153847 [0,1,0,0,0,1|2,0,0]=4 376 B14R1.694 CC(=O)NC(C)(C)c1ccc(cc1)F 11a_100015193028_100015343762 [0,1,0,0,0,1|2,0,0]=4 377 B14R1.694 CC(=O)NC(C)(C)c1ccc(cc1)F 1626a_100015193028_100015343762 [0,1,0,0,0,1|2,0,0]=4 378 B14R1.694 CC(=O)NC(C)(C)c1ccc(cc1)F 240690a_100015193028_100015343762 [0,1,0,0,0,1|2,0,0]=4 379 B14R1.694 CC(=O)NC(C)(C)c1ccc(cc1)F 527a_100015193028_100103153847 [0,1,0,0,0,1|2,0,0]=4 380 B14R1.694 Cc1ccc(cc1)C(C)(C)CC(=O)[13CH3] 1458a_200000181290_200025704644 [0,1,0,0,0,1|2,0,0]=4 381 B14R1.741 C=CC(=O)NC(C)(C)c1ccccc1 1626a_100011218174_100000185746 [0,1,0,0,0,1|2,0,0]=4 382 B14R1.741 C=CC(=O)NC(C)(C)c1ccccc1 240690a_100011218174_200121576911 [0,1,0,0,0,1|2,0,0]=4 383 B14R1.741 CC(C)(CC(=O)CF)c1ccccc1 1458a_100011409233_100015361967 [0,1,0,0,0,1|2,0,0]=4 384 B14R1.741 CC(C)(NC(=O)CO)c1ccccc1 240690a_100011218174_100000210174 [0,1,0,0,0,1|1,0,0]=3 385 B14R1.741 CC(C)(NC(=O)CO)c1ccccc1 527a_100011218174_100000210174 [0,1,0,0,0,1|1,0,0]=3 386 B14R1.741 CC(C)(NC(=O)CO)c1ccccn1 240690a_100011999416_100000210174 [0,1,0,0,0,1|2,0,0]=4 387 B14R1.741 CC(C)(NC(=O)CO)c1ccccn1 527a_100011999416_100000210174 [0,1,0,0,0,1|2,0,0]=4 388 B14R1.741 CC(C)(NC(=O)CO)c1cccnc1 240690a_100011376175_100000210174 [0,1,0,0,0,1|2,0,0]=4 389 B14R1.741 CC(C)(NC(=O)CO)c1cccnc1 527a_100011376175_100000210174 [0,1,0,0,0,1|2,0,0]=4 390 B14R1.741 CCC(=O)CC(C)(C)c1ccccc1 1458a_100011409233_100000210202 [0,1,0,0,0,1|2,0,0]=4 391 B14R1.741 CCC(=O)NC(C)(C)c1ccccc1 11a_100011218174_100000210414 [0,1,0,0,0,1|2,0,0]=4 392 B14R1.741 CCC(=O)NC(C)(C)c1ccccc1 1626a_100011218174_100000210414 [0,1,0,0,0,1|2,0,0]=4 393 B14R1.741 CCC(=O)NC(C)(C)c1ccccc1 240690a_100011218174_100000210414 [0,1,0,0,0,1|2,0,0]=4 394 B14R1.741 CCC(=O)NC(C)(C)c1ccccc1 527a_100011218174_100000210414 [0,1,0,0,0,1|2,0,0]=4 395 B14R1.741 CNC(=O)CC(C)(C)c1ccccc1 11a_106832991635_100011409233 [0,1,0,0,0,1|2,0,0]=4 396 B14R1.741 CNC(=O)CC(C)(C)c1ccccc1 1626a_100102657272_100011409233 [0,1,0,0,0,1|2,0,0]=4 397 B14R1.741 CNC(=O)CC(C)(C)c1ccccc1 240690a_100102657272_100011409233 [0,1,0,0,0,1|2,0,0]=4 398 B14R1.741 CNC(=O)CC(C)(C)c1ccccc1 527a_100102657272_100011409233 [0,1,0,0,0,1|2,0,0]=4 399 B14R1.741 CNC(=O)NC(C)(C)c1ccccc1 2708a_100102657272_100011218174 [0,1,0,0,0,1|2,0,0]=4 400 B14R1.741 CNC(=O)NC(C)(C)c1ccccc1 273464a_100011218174_100102657272 [0,1,0,0,0,1|2,0,0]=4 401 B14R1.741 CNC(=O)NC(C)(C)c1ccccc1 273464a_100102657272_100011218174 [0,1,0,0,0,1|2,0,0]=4 402 B14R1.741 CNC(=O)NC(C)(C)c1ccccc1 512a_100011218174_100102657272 [0,1,0,0,0,1|2,0,0]=4 403 B14R1.741 C[Si](C)(CC(=O)CO)c1ccccc1 1458a_100000210174_100000038972 [0,1,0,0,0,1|1,1,0]=4 404 B14R1.4403 CC(=O)NC(C)(C)c1cccc(c1)Br 11a_100016995529_100015343762 [0,1,0,0,0,1|2,0,0]=4 405 B14R1.4403 CC(=O)NC(C)(C)c1cccc(c1)Br 1626a_100016995529_100015343762 [0,1,0,0,0,1|2,0,0]=4 406 B14R1.4403 CC(=O)NC(C)(C)c1cccc(c1)Br 240690a_100016995529_100015343762 [0,1,0,0,0,1|2,0,0]=4 407 B14R1.4403 CC(=O)NC(C)(C)c1cccc(c1)Br 527a_100016995529_100103153847 [0,1,0,0,0,1|2,0,0]=4 408 B14R1.4403 CC(=O)NC(C)(C)c1cccc(c1)Cl 11a_100020605014_100015343762 [0,1,0,0,0,1|2,0,0]=4 409 B14R1.4403 CC(=O)NC(C)(C)c1cccc(c1)Cl 1626a_100020605014_100015343762 [0,1,0,0,0,1|2,0,0]=4 410 B14R1.4403 CC(=O)NC(C)(C)c1cccc(c1)Cl 240690a_100020605014_100015343762 [0,1,0,0,0,1|2,0,0]=4 411 B14R1.4403 CC(=O)NC(C)(C)c1cccc(c1)Cl 527a_100020605014_100103153847 [0,1,0,0,0,1|2,0,0]=4 412 B14R1.4403 CC(=O)NC(C)(C)c1cccc(c1)F 11a_100016993694_100015343762 [0,1,0,0,0,1|2,0,0]=4 413 B14R1.4403 CC(=O)NC(C)(C)c1cccc(c1)F 1626a_100016993694_100015343762 [0,1,0,0,0,1|2,0,0]=4 414 B14R1.4403 CC(=O)NC(C)(C)c1cccc(c1)F 240690a_100016993694_100015343762 [0,1,0,0,0,1|2,0,0]=4 415 B14R1.4403 CC(=O)NC(C)(C)c1cccc(c1)F 527a_100016993694_100103153847 [0,1,0,0,0,1|2,0,0]=4 416 B14R1.5805 CC(=O)CC(C)(C)c1ccccc1F 1458a_200012180094_200000210301 [0,1,0,0,0,1|2,0,0]=4 417 B14R1.5805 CC(=O)NC(C)(C)c1ccccc1Br 11a_100020606264_100015343762 [0,1,0,0,0,1|2,0,0]=4 418 B14R1.5805 CC(=O)NC(C)(C)c1ccccc1Br 1626a_100020606264_100015343762 [0,1,0,0,0,1|2,0,0]=4 419 B14R1.5805 CC(=O)NC(C)(C)c1ccccc1Br 240690a_100020606264_100015343762 [0,1,0,0,0,1|2,0,0]=4 420 B14R1.5805 CC(=O)NC(C)(C)c1ccccc1Br 527a_100020606264_100103153847 [0,1,0,0,0,1|2,0,0]=4 421 B14R1.5805 CC(=O)NC(C)(C)c1ccccc1Cl 11a_100020606166_100015343762 [0,1,0,0,0,1|2,0,0]=4 422 B14R1.5805 CC(=O)NC(C)(C)c1ccccc1Cl 1626a_100020606166_100015343762 [0,1,0,0,0,1|2,0,0]=4 423 B14R1.5805 CC(=O)NC(C)(C)c1ccccc1Cl 240690a_100020606166_100015343762 [0,1,0,0,0,1|2,0,0]=4 424 B14R1.5805 CC(=O)NC(C)(C)c1ccccc1Cl 527a_100020606166_100103153847 [0,1,0,0,0,1|2,0,0]=4 425 B14R1.5805 CC(=O)NC(C)(C)c1ccccc1F 11a_100000734538_100015343762 [0,1,0,0,0,1|2,0,0]=4 426 B14R1.5805 CC(=O)NC(C)(C)c1ccccc1F 1626a_100000734538_100015343762 [0,1,0,0,0,1|2,0,0]=4 427 B14R1.5805 CC(=O)NC(C)(C)c1ccccc1F 240690a_100000734538_100015343762 [0,1,0,0,0,1|2,0,0]=4 428 B14R1.5805 CC(=O)NC(C)(C)c1ccccc1F 527a_100000734538_100103153847 [0,1,0,0,0,1|2,0,0]=4 429 B14R1.5805 CC(C)(CC(=O)[13CH3])c1ccccc1F 1458a_200012180094_200025704644 [0,1,0,0,0,1|2,0,0]=4 430 B14R1.1107 CC(C)(Cc1ccccc1)C(=O)CF 1458a_100000757416_100015361967 [0,1,0,0,0,1|2,0,0]=4 431 B14R1.1107 CC(C)(Oc1ccccc1)C(=O)CF 1458a_100000743201_100015361967 [0,1,0,0,0,1|2,0,0]=4 432 B14R1.1107 CCC(=O)C(C)(C)Cc1ccccc1 1458a_100000757416_100000210202 [0,1,0,0,0,1|2,0,0]=4 433 B14R1.1107 CCC(=O)C(C)(C)Oc1ccccc1 1458a_100000743201_100000210202 [0,1,0,0,0,1|2,0,0]=4 434 B14R1.1107 CNC(=O)C(C)(C)Cc1ccccc1 11a_106832991635_100000757416 [0,1,0,0,0,1|2,0,0]=4 435 B14R1.1107 CNC(=O)C(C)(C)Cc1ccccc1 1626a_100102657272_100000757416 [0,1,0,0,0,1|2,0,0]=4 436 B14R1.1107 CNC(=O)C(C)(C)Cc1ccccc1 240690a_100102657272_100000757416 [0,1,0,0,0,1|2,0,0]=4 437 B14R1.1107 CNC(=O)C(C)(C)Cc1ccccc1 527a_100102657272_100000757416 [0,1,0,0,0,1|2,0,0]=4 438 B14R1.1107 CNC(=O)C(C)(C)Nc1ccccc1 34a_100000106764_100000732697 [0,1,0,0,0,1|2,0,0]=4 439 B14R1.1107 CNC(=O)C(C)(C)Oc1ccccc1 11a_106832991635_100000743201 [0,1,0,0,0,1|2,0,0]=4 440 B14R1.1107 CNC(=O)C(C)(C)Oc1ccccc1 1626a_100102657272_100000743201 [0,1,0,0,0,1|2,0,0]=4 441 B14R1.1107 CNC(=O)C(C)(C)Oc1ccccc1 240690a_100102657272_100000743201 [0,1,0,0,0,1|2,0,0]=4 442 B14R1.1107 CNC(=O)C(C)(C)Oc1ccccc1 34a_100000210340_100000732697 [0,1,0,0,0,1|2,0,0]=4 443 B14R1.1107 CNC(=O)C(C)(C)Oc1ccccc1 527a_100102657272_100000743201 [0,1,0,0,0,1|2,0,0]=4 444 B14R1.1107 CNC(=O)C(C)(C)Sc1ccccc1 62a_100000719477_100000732697 [0,1,0,0,0,1|2,0,0]=4 445 B14R1.1107 CNC(=O)C(C)(C)Sc1ccccc1 62a_100000732697_100000041952 [0,1,0,0,0,1|2,0,0]=4 446 B14R1.1107 COC(=O)C(C)(C)Sc1ccccc1 62a_100000689032_100000041952 [0,1,0,0,0,1|1,0,0]=3 447 B14R1.1107 COC(=O)C(C)(C)Sc1ccccc1 62a_100000719477_100000689032 [0,1,0,0,0,1|1,0,0]=3 448 B14R1.1107 COC(=O)C(C)(C)Sc1ccccn1 62a_100000689032_100011216584 [0,1,0,0,0,1|2,0,0]=4 449 B14R1.1107 COC(=O)C(C)(C)Sc1ccccn1 62a_100011216584_100000689032 [0,1,0,0,0,1|2,0,0]=4 450 B14R1.1107 COC(=O)C(C)(C)Sc1cccnc1 62a_100000210063_100000689032 [0,1,0,0,0,1|2,0,0]=4 451 B14R1.1107 COC(=O)C(C)(C)Sc1cccnc1 62a_100000689032_100000210063 [0,1,0,0,0,1|2,0,0]=4 452 B14R1.1107 COC(=O)C(C)(C)Sc1ccncc1 62a_100000689032_100000728582 [0,1,0,0,0,1|2,0,0]=4 453 B14R1.1107 COC(=O)C(C)(C)Sc1ccncc1 62a_100000728582_100000689032 [0,1,0,0,0,1|2,0,0]=4 454 B14R1.1107 COC(=O)C(C)(F)Nc1ccccc1 34a_100000106764_200009867631 [0,1,0,0,0,1|1,0,0]=3 455 B14R1.1107 COC(=O)C(C)(F)Oc1ccccc1 34a_100000210340_200009867631 [0,1,0,0,0,1|1,0,0]=3 456 B14R1.1107 COC(=O)C(C)(F)Oc1cccnc1 34a_100000210849_200009867631 [0,1,0,0,0,1|2,0,0]=4 457 B14R1.1107 COC(=O)C(C)(F)Oc1ccncc1 34a_100000212176_200009867631 [0,1,0,0,0,1|2,0,0]=4 458 B14R1.1107 COC(=O)C(C)(F)Sc1ccccc1 62a_100000719477_200009867631 [0,1,0,0,0,1|1,0,0]=3 459 B14R1.1107 COC(=O)C(C)(F)Sc1ccccc1 62a_200009867631_100000041952 [0,1,0,0,0,1|1,0,0]=3 460 B14R1.1107 COC(=O)C(C)(F)Sc1ccccn1 62a_100011216584_200009867631 [0,1,0,0,0,1|2,0,0]=4 461 B14R1.1107 COC(=O)C(C)(F)Sc1ccccn1 62a_200009867631_100011216584 [0,1,0,0,0,1|2,0,0]=4 462 B14R1.1107 COC(=O)C(C)(F)Sc1cccnc1 62a_100000210063_200009867631 [0,1,0,0,0,1|2,0,0]=4 463 B14R1.1107 COC(=O)C(C)(F)Sc1cccnc1 62a_200009867631_100000210063 [0,1,0,0,0,1|2,0,0]=4 464 B14R1.1107 COC(=O)C(C)(F)Sc1ccncc1 62a_100000728582_200009867631 [0,1,0,0,0,1|2,0,0]=4 465 B14R1.1107 COC(=O)C(C)(F)Sc1ccncc1 62a_200009867631_100000728582 [0,1,0,0,0,1|2,0,0]=4 466 B14R1.1107 COC(=O)C(F)(F)Nc1ccccc1 34a_100000106764_100000211177 [0,1,0,0,0,1|2,0,0]=4 467 B14R1.1107 COC(=O)C(F)(F)Oc1ccccc1 34a_100000210340_100000211177 [0,1,0,0,0,1|2,0,0]=4 468 B14R1.1107 COC(=O)C(F)(F)Oc1ccccc1 7a_100000210340_100000211177 [0,1,0,0,0,1|2,0,0]=4 469 B14R1.1107 COC(=O)C(F)(F)Sc1ccccc1 62a_100000211177_100000041952 [0,1,0,0,0,1|2,0,0]=4 470 B14R1.1107 COC(=O)C(F)(F)Sc1ccccc1 62a_100000719477_100000211177 [0,1,0,0,0,1|2,0,0]=4 471 B14R1.1107 O=C(CO)C(F)(F)Oc1ccccc1 1458a_100000210174_200000057402 [0,1,0,0,0,1|2,0,0]=4 472 B14R1.4404 CC(=O)C(C)(C)Cc1cccc(c1)Br 1458a_200011736070_200000210301 [0,1,0,0,0,1|2,0,0]=4 473 B14R1.4404 CC(=O)C(C)(C)Oc1cccc(c1)Br 7a_100000210342_100000075568 [0,1,0,0,0,1|2,0,0]=4 474 B14R1.4404 CC(=O)C(C)(C)Oc1cccc(c1)C 1458a_200015186090_200000210301 [0,1,0,0,0,1|2,0,0]=4 475 B14R1.4404 CC(=O)C(C)(C)Oc1cccc(c1)C 7a_100000210337_100000075568 [0,1,0,0,0,1|2,0,0]=4 476 B14R1.4404 CC(=O)C(C)(C)Oc1cccc(c1)Cl 1458a_100000755146_200000210301 [0,1,0,0,0,1|2,0,0]=4 477 B14R1.4404 CC(=O)C(C)(C)Oc1cccc(c1)Cl 7a_100000210295_100000075568 [0,1,0,0,0,1|2,0,0]=4 478 B14R1.4404 CC(=O)C(C)(C)Oc1cccc(c1)F 7a_100000210426_100000075568 [0,1,0,0,0,1|2,0,0]=4 479 B14R1.4404 CC(=O)C(C)(C)Oc1cccc(c1)I 7a_100000211634_100000075568 [0,1,0,0,0,1|2,0,0]=4 480 B14R1.4404 CC(=O)C(C)(C)Sc1cccc(c1)Br 62a_100000075568_100000691529 [0,1,0,0,0,1|2,0,0]=4 481 B14R1.4404 CC(=O)C(C)(C)Sc1cccc(c1)Br 62a_100000691529_100000075568 [0,1,0,0,0,1|2,0,0]=4 482 B14R1.4404 CC(=O)C(C)(C)Sc1cccc(c1)C 62a_100000075568_100011215228 [0,1,0,0,0,1|2,0,0]=4 483 B14R1.4404 CC(=O)C(C)(C)Sc1cccc(c1)C 62a_100011215228_100000075568 [0,1,0,0,0,1|2,0,0]=4 484 B14R1.4404 CC(=O)C(C)(C)Sc1cccc(c1)Cl 62a_100000075568_100000699651 [0,1,0,0,0,1|2,0,0]=4 485 B14R1.4404 CC(=O)C(C)(C)Sc1cccc(c1)Cl 62a_100000699651_100000075568 [0,1,0,0,0,1|2,0,0]=4 486 B14R1.4404 CC(=O)C(C)(C)Sc1cccc(c1)F 62a_100000075568_100000685547 [0,1,0,0,0,1|2,0,0]=4 487 B14R1.4404 CC(=O)C(C)(C)Sc1cccc(c1)F 62a_100000685547_100000075568 [0,1,0,0,0,1|2,0,0]=4 488 B14R1.4404 CC(=O)C(C)(C)Sc1cccc(c1)N 62a_100000075568_100000210019 [0,1,0,0,0,1|2,0,0]=4 489 B14R1.4404 CC(=O)C(C)(C)Sc1cccc(c1)N 62a_100000210019_100000075568 [0,1,0,0,0,1|2,0,0]=4 490 B14R1.4404 CC(=O)C(C)(C)Sc1cccc(c1)O 62a_100000075568_100000211634 [0,1,0,0,0,1|2,0,0]=4 491 B14R1.4404 CC(=O)C(C)(C)Sc1cccc(c1)[S] 62a_100000075568_114929384022 [0,1,0,0,0,1|2,0,0]=4 492 B14R1.4404 CC(=O)C(C)(C)Sc1cccc(c1)[S] 62a_114929384022_100000075568 [0,1,0,0,0,1|2,0,0]=4 493 B14R1.4404 CC(C)(Cc1cccc(c1)Br)C(=O)[13CH3] 1458a_200011736070_200025704644 [0,1,0,0,0,1|2,0,0]=4 494 B14R1.4404 CC(C)(Nc1cccc(c1)Br)C(=O)N 34a_100000210019_100000702505 [0,1,0,0,0,1|2,0,0]=4 495 B14R1.4404 CC(C)(Nc1cccc(c1)Cl)C(=O)N 34a_100000185859_100000702505 [0,1,0,0,0,1|2,0,0]=4 496 B14R1.4404 CC(C)(Nc1cccc(c1)F)C(=O)N 34a_100000210047_100000702505 [0,1,0,0,0,1|2,0,0]=4 497 B14R1.4404 CC(C)(Nc1cccc(c1)I)C(=O)N 34a_100000211102_100000702505 [0,1,0,0,0,1|2,0,0]=4 498 B14R1.4404 CC(C)(Nc1cccc(c1)O)C(=O)N 34a_100000210217_100000702505 [0,1,0,0,0,1|2,0,0]=4 499 B14R1.4404 CC(C)(Oc1cccc(c1)Br)C(=O)N 34a_100000210342_100000702505 [0,1,0,0,0,1|2,0,0]=4 500 B14R1.4404 CC(C)(Oc1cccc(c1)Br)C(=O)N 7a_100000210342_100000702505 [0,1,0,0,0,1|2,0,0]=4 501 B14R1.4404 CC(C)(Oc1cccc(c1)Cl)C(=O)N 34a_100000210295_100000702505 [0,1,0,0,0,1|2,0,0]=4 502 B14R1.4404 CC(C)(Oc1cccc(c1)Cl)C(=O)N 7a_100000210295_100000702505 [0,1,0,0,0,1|2,0,0]=4 503 B14R1.4404 CC(C)(Oc1cccc(c1)Cl)C(=O)[13CH3] 1458a_100000755146_200025704644 [0,1,0,0,0,1|2,0,0]=4 504 B14R1.4404 CC(C)(Oc1cccc(c1)F)C(=O)N 34a_100000210426_100000702505 [0,1,0,0,0,1|2,0,0]=4 505 B14R1.4404 CC(C)(Oc1cccc(c1)F)C(=O)N 7a_100000210426_100000702505 [0,1,0,0,0,1|2,0,0]=4 506 B14R1.4404 CC(C)(Oc1cccc(c1)I)C(=O)N 34a_100000211634_100000702505 [0,1,0,0,0,1|2,0,0]=4 507 B14R1.4404 CC(C)(Oc1cccc(c1)I)C(=O)N 7a_100000211634_100000702505 [0,1,0,0,0,1|2,0,0]=4 508 B14R1.4404 CC(C)(Oc1cccc(c1)N)C(=O)N 34a_100000210217_100000702505 [0,1,0,0,0,1|2,0,0]=4 509 B14R1.4404 CC(C)(Sc1cccc(c1)Br)C(=O)N 62a_100000691529_100000702505 [0,1,0,0,0,1|2,0,0]=4 510 B14R1.4404 CC(C)(Sc1cccc(c1)Br)C(=O)N 62a_100000702505_100000691529 [0,1,0,0,0,1|2,0,0]=4 511 B14R1.4404 CC(C)(Sc1cccc(c1)Cl)C(=O)N 62a_100000699651_100000702505 [0,1,0,0,0,1|2,0,0]=4 512 B14R1.4404 CC(C)(Sc1cccc(c1)Cl)C(=O)N 62a_100000702505_100000699651 [0,1,0,0,0,1|2,0,0]=4 513 B14R1.4404 CC(C)(Sc1cccc(c1)F)C(=O)N 62a_100000685547_100000702505 [0,1,0,0,0,1|2,0,0]=4 514 B14R1.4404 CC(C)(Sc1cccc(c1)F)C(=O)N 62a_100000702505_100000685547 [0,1,0,0,0,1|2,0,0]=4 515 B14R1.4404 CC(C)(Sc1cccc(c1)N)C(=O)N 62a_100000210019_100000702505 [0,1,0,0,0,1|2,0,0]=4 516 B14R1.4404 CC(C)(Sc1cccc(c1)N)C(=O)N 62a_100000702505_100000210019 [0,1,0,0,0,1|2,0,0]=4 517 B14R1.4404 CC(C)(Sc1cccc(c1)O)C(=O)N 62a_100000702505_100000211634 [0,1,0,0,0,1|2,0,0]=4 518 B14R1.4404 CC(C)(Sc1cccc(c1)[S])C(=O)N 62a_100000702505_114929384022 [0,1,0,0,0,1|2,0,0]=4 519 B14R1.4404 CC(C)(Sc1cccc(c1)[S])C(=O)N 62a_114929384022_100000702505 [0,1,0,0,0,1|2,0,0]=4 520 B14R1.4404 Cc1cccc(c1)NC(C)(C)C(=O)N 2230a_100000188690_100000702505 [0,1,0,0,0,1|2,0,0]=4 521 B14R1.4404 Cc1cccc(c1)NC(C)(C)C(=O)N 34a_100000188690_100000702505 [0,1,0,0,0,1|2,0,0]=4 522 B14R1.4404 Cc1cccc(c1)OC(C)(C)C(=O)N 34a_100000210337_100000702505 [0,1,0,0,0,1|2,0,0]=4 523 B14R1.4404 Cc1cccc(c1)OC(C)(C)C(=O)N 7a_100000210337_100000702505 [0,1,0,0,0,1|2,0,0]=4 524 B14R1.4404 Cc1cccc(c1)OC(C)(C)C(=O)[13CH3] 1458a_200015186090_200025704644 [0,1,0,0,0,1|2,0,0]=4 525 B14R1.4404 Cc1cccc(c1)SC(C)(C)C(=O)N 62a_100000702505_100011215228 [0,1,0,0,0,1|2,0,0]=4 526 B14R1.4404 Cc1cccc(c1)SC(C)(C)C(=O)N 62a_100011215228_100000702505 [0,1,0,0,0,1|2,0,0]=4 527 B14R1.5882 CC(=O)C(C)(C)Cc1ccccc1F 1458a_200011736048_200000210301 [0,1,0,0,0,1|2,0,0]=4 528 B14R1.5882 CC(=O)C(C)(C)Oc1ccccc1Br 7a_100000181306_100000075568 [0,1,0,0,0,1|2,0,0]=4 529 B14R1.5882 CC(=O)C(C)(C)Oc1ccccc1C 1458a_200015182929_200000210301 [0,1,0,0,0,1|2,0,0]=4 530 B14R1.5882 CC(=O)C(C)(C)Oc1ccccc1C 7a_100000210338_100000075568 [0,1,0,0,0,1|2,0,0]=4 531 B14R1.5882 CC(=O)C(C)(C)Oc1ccccc1Cl 1458a_100015197561_200000210301 [0,1,0,0,0,1|2,0,0]=4 532 B14R1.5882 CC(=O)C(C)(C)Oc1ccccc1Cl 7a_100000210172_100000075568 [0,1,0,0,0,1|2,0,0]=4 533 B14R1.5882 CC(=O)C(C)(C)Oc1ccccc1F 7a_100000210171_100000075568 [0,1,0,0,0,1|2,0,0]=4 534 B14R1.5882 CC(=O)C(C)(C)Oc1ccccc1I 7a_100000739446_100000075568 [0,1,0,0,0,1|2,0,0]=4 535 B14R1.5882 CC(=O)C(C)(C)Oc1ccccc1N 7a_100000185747_100000075568 [0,1,0,0,0,1|2,0,0]=4 536 B14R1.5882 CC(=O)C(C)(C)Sc1ccccc1Br 62a_100000075568_100000695589 [0,1,0,0,0,1|2,0,0]=4 537 B14R1.5882 CC(=O)C(C)(C)Sc1ccccc1Br 62a_100000695589_100000075568 [0,1,0,0,0,1|2,0,0]=4 538 B14R1.5882 CC(=O)C(C)(C)Sc1ccccc1C 62a_100000075568_100000210755 [0,1,0,0,0,1|2,0,0]=4 539 B14R1.5882 CC(=O)C(C)(C)Sc1ccccc1C 62a_100000210755_100000075568 [0,1,0,0,0,1|2,0,0]=4 540 B14R1.5882 CC(=O)C(C)(C)Sc1ccccc1Cl 62a_100000075568_100000764095 [0,1,0,0,0,1|2,0,0]=4 541 B14R1.5882 CC(=O)C(C)(C)Sc1ccccc1Cl 62a_100000764095_100000075568 [0,1,0,0,0,1|2,0,0]=4 542 B14R1.5882 CC(=O)C(C)(C)Sc1ccccc1F 62a_100000075568_100011215700 [0,1,0,0,0,1|2,0,0]=4 543 B14R1.5882 CC(=O)C(C)(C)Sc1ccccc1F 62a_100011215700_100000075568 [0,1,0,0,0,1|2,0,0]=4 544 B14R1.5882 CC(=O)C(C)(C)Sc1ccccc1N 62a_100000075568_100000210017 [0,1,0,0,0,1|2,0,0]=4 545 B14R1.5882 CC(=O)C(C)(C)Sc1ccccc1N 62a_100000210017_100000075568 [0,1,0,0,0,1|2,0,0]=4 546 B14R1.5882 CC(=O)C(C)(C)Sc1ccccc1O 62a_100000075568_100000739446 [0,1,0,0,0,1|2,0,0]=4 547 B14R1.5882 CC(=O)C(C)(C)Sc1ccccc1O 62a_100000739446_100000075568 [0,1,0,0,0,1|2,0,0]=4 548 B14R1.5882 CC(C)(Cc1ccccc1F)C(=O)[13CH3] 1458a_200011736048_200025704644 [0,1,0,0,0,1|2,0,0]=4 549 B14R1.5882 CC(C)(Nc1ccccc1Br)C(=O)N 34a_100000210017_100000702505 [0,1,0,0,0,1|2,0,0]=4 550 B14R1.5882 CC(C)(Nc1ccccc1Cl)C(=O)N 34a_100000185783_100000702505 [0,1,0,0,0,1|2,0,0]=4 551 B14R1.5882 CC(C)(Nc1ccccc1F)C(=O)N 34a_100000210422_100000702505 [0,1,0,0,0,1|2,0,0]=4 552 B14R1.5882 CC(C)(Nc1ccccc1I)C(=O)N 34a_100000210053_100000702505 [0,1,0,0,0,1|2,0,0]=4 553 B14R1.5882 CC(C)(Nc1ccccc1O)C(=O)N 34a_100000185747_100000702505 [0,1,0,0,0,1|2,0,0]=4 554 B14R1.5882 CC(C)(Oc1ccccc1Br)C(=O)N 34a_100000181306_100000702505 [0,1,0,0,0,1|2,0,0]=4 555 B14R1.5882 CC(C)(Oc1ccccc1Br)C(=O)N 7a_100000181306_100000702505 [0,1,0,0,0,1|2,0,0]=4 556 B14R1.5882 CC(C)(Oc1ccccc1Cl)C(=O)N 34a_100000210172_100000702505 [0,1,0,0,0,1|2,0,0]=4 557 B14R1.5882 CC(C)(Oc1ccccc1Cl)C(=O)N 7a_100000210172_100000702505 [0,1,0,0,0,1|2,0,0]=4 558 B14R1.5882 CC(C)(Oc1ccccc1Cl)C(=O)[13CH3] 1458a_100015197561_200025704644 [0,1,0,0,0,1|2,0,0]=4 559 B14R1.5882 CC(C)(Oc1ccccc1F)C(=O)N 34a_100000210171_100000702505 [0,1,0,0,0,1|2,0,0]=4 560 B14R1.5882 CC(C)(Oc1ccccc1F)C(=O)N 7a_100000210171_100000702505 [0,1,0,0,0,1|2,0,0]=4 561 B14R1.5882 CC(C)(Oc1ccccc1I)C(=O)N 34a_100000739446_100000702505 [0,1,0,0,0,1|2,0,0]=4 562 B14R1.5882 CC(C)(Oc1ccccc1I)C(=O)N 7a_100000739446_100000702505 [0,1,0,0,0,1|2,0,0]=4 563 B14R1.5882 CC(C)(Oc1ccccc1N)C(=O)N 34a_100000185747_100000702505 [0,1,0,0,0,1|2,0,0]=4 564 B14R1.5882 CC(C)(Oc1ccccc1N)C(=O)N 7a_100000185747_100000702505 [0,1,0,0,0,1|2,0,0]=4 565 B14R1.5882 CC(C)(Sc1ccccc1Br)C(=O)N 62a_100000695589_100000702505 [0,1,0,0,0,1|2,0,0]=4 566 B14R1.5882 CC(C)(Sc1ccccc1Br)C(=O)N 62a_100000702505_100000695589 [0,1,0,0,0,1|2,0,0]=4 567 B14R1.5882 CC(C)(Sc1ccccc1Cl)C(=O)N 62a_100000702505_100000764095 [0,1,0,0,0,1|2,0,0]=4 568 B14R1.5882 CC(C)(Sc1ccccc1Cl)C(=O)N 62a_100000764095_100000702505 [0,1,0,0,0,1|2,0,0]=4 569 B14R1.5882 CC(C)(Sc1ccccc1F)C(=O)N 62a_100000702505_100011215700 [0,1,0,0,0,1|2,0,0]=4 570 B14R1.5882 CC(C)(Sc1ccccc1F)C(=O)N 62a_100011215700_100000702505 [0,1,0,0,0,1|2,0,0]=4 571 B14R1.5882 CC(C)(Sc1ccccc1N)C(=O)N 62a_100000210017_100000702505 [0,1,0,0,0,1|2,0,0]=4 572 B14R1.5882 CC(C)(Sc1ccccc1N)C(=O)N 62a_100000702505_100000210017 [0,1,0,0,0,1|2,0,0]=4 573 B14R1.5882 CC(C)(Sc1ccccc1O)C(=O)N 62a_100000702505_100000739446 [0,1,0,0,0,1|2,0,0]=4 574 B14R1.5882 CC(C)(Sc1ccccc1O)C(=O)N 62a_100000739446_100000702505 [0,1,0,0,0,1|2,0,0]=4 575 B14R1.5882 Cc1ccccc1NC(C)(C)C(=O)N 34a_100015192222_100000702505 [0,1,0,0,0,1|2,0,0]=4 576 B14R1.5882 Cc1ccccc1OC(C)(C)C(=O)N 34a_100000210338_100000702505 [0,1,0,0,0,1|2,0,0]=4 577 B14R1.5882 Cc1ccccc1OC(C)(C)C(=O)N 7a_100000210338_100000702505 [0,1,0,0,0,1|2,0,0]=4 578 B14R1.5882 Cc1ccccc1OC(C)(C)C(=O)[13CH3] 1458a_200015182929_200025704644 [0,1,0,0,0,1|2,0,0]=4 579 B14R1.5882 Cc1ccccc1SC(C)(C)C(=O)N 62a_100000210755_100000702505 [0,1,0,0,0,1|2,0,0]=4 580 B14R1.5882 Cc1ccccc1SC(C)(C)C(=O)N 62a_100000702505_100000210755 [0,1,0,0,0,1|2,0,0]=4 581 B14R1.6391 CC(=O)C(C)(C)C(=O)c1ccccc1 1458a_100000070787_200009813919 [0,1,0,0,0,1|2,0,0]=4 582 B14R1.6391 CC(=O)C(C)(C)N(C)c1ccccc1 269982a_100000210012_100000075568 [0,1,0,0,0,1|2,0,0]=4 583 B14R1.6391 CN(c1ccccc1)C(C)(C)C(=O)N 2230a_100000210012_100000702505 [0,1,0,0,0,1|2,0,0]=4 584 B14R1.6391 CN(c1ccccc1)C(C)(C)C(=O)N 269982a_100000210012_100000702505 [0,1,0,0,0,1|2,0,0]=4 585 B14R1.6391 CN(c1ccccc1)C(C)(C)C(=O)N 34a_100000210012_100000702505 [0,1,0,0,0,1|2,0,0]=4 586 B14R1.7626 CC(=O)C(C)(C)Oc1ccc(cc1)Br 1458a_100015185431_200000210301 [0,1,0,0,0,1|2,0,0]=4 587 B14R1.7626 CC(=O)C(C)(C)Oc1ccc(cc1)Br 7a_100000185759_100000075568 [0,1,0,0,0,1|2,0,0]=4 588 B14R1.7626 CC(=O)C(C)(C)Oc1ccc(cc1)C 7a_100000210336_100000075568 [0,1,0,0,0,1|2,0,0]=4 589 B14R1.7626 CC(=O)C(C)(C)Oc1ccc(cc1)Cl 1458a_100000188143_200000210301 [0,1,0,0,0,1|2,0,0]=4 590 B14R1.7626 CC(=O)C(C)(C)Oc1ccc(cc1)Cl 7a_100000210216_100000075568 [0,1,0,0,0,1|2,0,0]=4 591 B14R1.7626 CC(=O)C(C)(C)Oc1ccc(cc1)F 1458a_100000691700_200000210301 [0,1,0,0,0,1|2,0,0]=4 592 B14R1.7626 CC(=O)C(C)(C)Oc1ccc(cc1)I 7a_100000212066_100000075568 [0,1,0,0,0,1|2,0,0]=4 593 B14R1.7626 CC(=O)C(C)(C)Sc1ccc(cc1)Br 62a_100000075568_100000752885 [0,1,0,0,0,1|2,0,0]=4 594 B14R1.7626 CC(=O)C(C)(C)Sc1ccc(cc1)Br 62a_100000752885_100000075568 [0,1,0,0,0,1|2,0,0]=4 595 B14R1.7626 CC(=O)C(C)(C)Sc1ccc(cc1)C 62a_100000075568_100000186775 [0,1,0,0,0,1|2,0,0]=4 596 B14R1.7626 CC(=O)C(C)(C)Sc1ccc(cc1)C 62a_100000186775_100000075568 [0,1,0,0,0,1|2,0,0]=4 597 B14R1.7626 CC(=O)C(C)(C)Sc1ccc(cc1)Cl 62a_100000075568_100000755918 [0,1,0,0,0,1|2,0,0]=4 598 B14R1.7626 CC(=O)C(C)(C)Sc1ccc(cc1)Cl 62a_100000755918_100000075568 [0,1,0,0,0,1|2,0,0]=4 599 B14R1.7626 CC(=O)C(C)(C)Sc1ccc(cc1)F 62a_100000075568_100000211213 [0,1,0,0,0,1|2,0,0]=4 600 B14R1.7626 CC(=O)C(C)(C)Sc1ccc(cc1)F 62a_100000211213_100000075568 [0,1,0,0,0,1|2,0,0]=4 601 B14R1.7626 CC(=O)C(C)(C)Sc1ccc(cc1)N 62a_100000075568_100000185761 [0,1,0,0,0,1|2,0,0]=4 602 B14R1.7626 CC(=O)C(C)(C)Sc1ccc(cc1)N 62a_100000185761_100000075568 [0,1,0,0,0,1|2,0,0]=4 603 B14R1.7626 CC(=O)C(C)(C)Sc1ccc(cc1)O 62a_100000075568_100000185759 [0,1,0,0,0,1|2,0,0]=4 604 B14R1.7626 CC(C)(Nc1ccc(cc1)Br)C(=O)N 2230a_100000210018_100000702505 [0,1,0,0,0,1|2,0,0]=4 605 B14R1.7626 CC(C)(Nc1ccc(cc1)Br)C(=O)N 34a_100000210018_100000702505 [0,1,0,0,0,1|2,0,0]=4 606 B14R1.7626 CC(C)(Nc1ccc(cc1)Cl)C(=O)N 2230a_100000210052_100000702505 [0,1,0,0,0,1|2,0,0]=4 607 B14R1.7626 CC(C)(Nc1ccc(cc1)Cl)C(=O)N 34a_100000210052_100000702505 [0,1,0,0,0,1|2,0,0]=4 608 B14R1.7626 CC(C)(Nc1ccc(cc1)F)C(=O)N 34a_100000185862_100000702505 [0,1,0,0,0,1|2,0,0]=4 609 B14R1.7626 CC(C)(Nc1ccc(cc1)I)C(=O)N 34a_100000185761_100000702505 [0,1,0,0,0,1|2,0,0]=4 610 B14R1.7626 CC(C)(Nc1ccc(cc1)O)C(=O)N 34a_100000185829_100000702505 [0,1,0,0,0,1|2,0,0]=4 611 B14R1.7626 CC(C)(Oc1ccc(cc1)Br)C(=O)N 34a_100000185759_100000702505 [0,1,0,0,0,1|2,0,0]=4 612 B14R1.7626 CC(C)(Oc1ccc(cc1)Br)C(=O)N 7a_100000185759_100000702505 [0,1,0,0,0,1|2,0,0]=4 613 B14R1.7626 CC(C)(Oc1ccc(cc1)Br)C(=O)[13CH3] 1458a_100015185431_200025704644 [0,1,0,0,0,1|2,0,0]=4 614 B14R1.7626 CC(C)(Oc1ccc(cc1)Cl)C(=O)N 34a_100000210216_100000702505 [0,1,0,0,0,1|2,0,0]=4 615 B14R1.7626 CC(C)(Oc1ccc(cc1)Cl)C(=O)N 7a_100000210216_100000702505 [0,1,0,0,0,1|2,0,0]=4 616 B14R1.7626 CC(C)(Oc1ccc(cc1)Cl)C(=O)[13CH3] 1458a_100000188143_200025704644 [0,1,0,0,0,1|2,0,0]=4 617 B14R1.7626 CC(C)(Oc1ccc(cc1)F)C(=O)N 34a_100000210339_100000702505 [0,1,0,0,0,1|2,0,0]=4 618 B14R1.7626 CC(C)(Oc1ccc(cc1)F)C(=O)[13CH3] 1458a_100000691700_200025704644 [0,1,0,0,0,1|2,0,0]=4 619 B14R1.7626 CC(C)(Oc1ccc(cc1)I)C(=O)N 34a_100000212066_100000702505 [0,1,0,0,0,1|2,0,0]=4 620 B14R1.7626 CC(C)(Oc1ccc(cc1)I)C(=O)N 7a_100000212066_100000702505 [0,1,0,0,0,1|2,0,0]=4 621 B14R1.7626 CC(C)(Oc1ccc(cc1)N)C(=O)N 34a_100000185829_100000702505 [0,1,0,0,0,1|2,0,0]=4 622 B14R1.7626 CC(C)(Sc1ccc(cc1)Br)C(=O)N 62a_100000702505_100000752885 [0,1,0,0,0,1|2,0,0]=4 623 B14R1.7626 CC(C)(Sc1ccc(cc1)Br)C(=O)N 62a_100000752885_100000702505 [0,1,0,0,0,1|2,0,0]=4 624 B14R1.7626 CC(C)(Sc1ccc(cc1)Cl)C(=O)N 62a_100000702505_100000755918 [0,1,0,0,0,1|2,0,0]=4 625 B14R1.7626 CC(C)(Sc1ccc(cc1)Cl)C(=O)N 62a_100000755918_100000702505 [0,1,0,0,0,1|2,0,0]=4 626 B14R1.7626 CC(C)(Sc1ccc(cc1)F)C(=O)N 62a_100000211213_100000702505 [0,1,0,0,0,1|2,0,0]=4 627 B14R1.7626 CC(C)(Sc1ccc(cc1)F)C(=O)N 62a_100000702505_100000211213 [0,1,0,0,0,1|2,0,0]=4 628 B14R1.7626 CC(C)(Sc1ccc(cc1)N)C(=O)N 62a_100000185761_100000702505 [0,1,0,0,0,1|2,0,0]=4 629 B14R1.7626 CC(C)(Sc1ccc(cc1)N)C(=O)N 62a_100000702505_100000185761 [0,1,0,0,0,1|2,0,0]=4 630 B14R1.7626 CC(C)(Sc1ccc(cc1)O)C(=O)N 62a_100000702505_100000185759 [0,1,0,0,0,1|2,0,0]=4 631 B14R1.7626 Cc1ccc(cc1)NC(C)(C)C(=O)N 34a_100000124888_100000702505 [0,1,0,0,0,1|2,0,0]=4 632 B14R1.7626 Cc1ccc(cc1)OC(C)(C)C(=O)N 34a_100000210336_100000702505 [0,1,0,0,0,1|2,0,0]=4 633 B14R1.7626 Cc1ccc(cc1)OC(C)(C)C(=O)N 7a_100000210336_100000702505 [0,1,0,0,0,1|2,0,0]=4 634 B14R1.7626 Cc1ccc(cc1)SC(C)(C)C(=O)N 62a_100000186775_100000702505 [0,1,0,0,0,1|2,0,0]=4 635 B14R1.7626 Cc1ccc(cc1)SC(C)(C)C(=O)N 62a_100000702505_100000186775 [0,1,0,0,0,1|2,0,0]=4 636 B14R1.8844 CC(Cc1ccccc1)(N[13CH3])C(=O)O 269956a_100025773586_200025704644 [0,1,0,0,0,1|1,0,0]=3 637 B14R1.8844 CNC(C)(Cc1ccccc1)C(=O)O 269956a_100025773586_200000210301 [0,1,0,0,0,1|1,0,0]=3 638 B14R1.213 CC(=O)C(C)(C)c1ccc(cc1)C#N 1458a_100009891144_200000210301 [0,2,0,0,0,0|2,0,0]=4 639 B14R1.213 CC(C)(C(=O)[13CH3])c1ccc(cc1)C#N 1458a_100009891144_200025704644 [0,2,0,0,0,0|2,0,0]=4 640 B14R1.213 CCc1ccc(cc1)C(C)(C)C(=O)C 1458a_100000685079_200000210301 [0,2,0,0,0,0|2,0,0]=4 641 B14R1.213 CCc1ccc(cc1)C(C)(C)C(=O)[13CH3] 1458a_100000685079_200025704644 [0,2,0,0,0,0|2,0,0]=4 642 B14R1.213 COc1ccc(cc1)C(C)(C)C(=O)C 1458a_100000689946_200000210301 [0,2,0,0,0,0|2,0,0]=4 643 B14R1.213 COc1ccc(cc1)C(C)(C)C(=O)[13CH3] 1458a_100000689946_200025704644 [0,2,0,0,0,0|2,0,0]=4 644 B14R1.213 COc1ccc(cc1)C(C)(O)C(=O)C 1458a_200011434898_200000210301 [0,2,0,0,0,0|1,0,0]=3 645 B14R1.213 COc1ccc(cc1)C(C)(O)C(=O)[13CH3] 1458a_200011434898_200025704644 [0,2,0,0,0,0|1,0,0]=3 646 B14R1.699 CC(=O)C(C)(C)c1ccc(c(c1)Cl)Cl 1458a_100000747931_200000210301 [0,2,0,0,0,0|2,0,0]=4 647 B14R1.699 CC(=O)C(C)(C)c1ccc(c(c1)F)F 1458a_100011754732_200000210301 [0,2,0,0,0,0|2,0,0]=4 648 B14R1.699 CC(C)(C(=O)[13CH3])c1ccc(c(c1)Cl)Cl 1458a_100000747931_200025704644 [0,2,0,0,0,0|2,0,0]=4 649 B14R1.699 CC(C)(C(=O)[13CH3])c1ccc(c(c1)F)F 1458a_100011754732_200025704644 [0,2,0,0,0,0|2,0,0]=4 650 B14R1.1013 CC(C)(C(=O)CF)c1ccc(cc1)Br 1458a_100000740082_100015361967 [0,2,0,0,0,0|2,0,0]=4 651 B14R1.1013 CC(C)(C(=O)CF)c1ccc(cc1)Cl 1458a_100000742901_100015361967 [0,2,0,0,0,0|2,0,0]=4 652 B14R1.1013 CC(C)(C(=O)CF)c1ccc(cc1)F 1458a_100000751650_100015361967 [0,2,0,0,0,0|2,0,0]=4 653 B14R1.1013 CC(C)(C(=O)CF)c1ccc(cc1)O 1458a_100000721645_100015361967 [0,2,0,0,0,0|2,0,0]=4 654 B14R1.1013 CC(O)(C(=O)CF)c1ccc(cc1)Cl 1458a_100000695402_100015361967 [0,2,0,0,0,0|1,0,0]=3 655 B14R1.1013 CCC(=O)C(C)(C)c1ccc(cc1)Br 1458a_100000740082_100000210202 [0,2,0,0,0,0|2,0,0]=4 656 B14R1.1013 CCC(=O)C(C)(C)c1ccc(cc1)C 1458a_100000751694_100000210202 [0,2,0,0,0,0|2,0,0]=4 657 B14R1.1013 CCC(=O)C(C)(C)c1ccc(cc1)Cl 1458a_100000742901_100000210202 [0,2,0,0,0,0|2,0,0]=4 658 B14R1.1013 CCC(=O)C(C)(C)c1ccc(cc1)F 1458a_100000751650_100000210202 [0,2,0,0,0,0|2,0,0]=4 659 B14R1.1013 CCC(=O)C(C)(C)c1ccc(cc1)O 1458a_100000721645_100000210202 [0,2,0,0,0,0|2,0,0]=4 660 B14R1.1013 CCC(=O)C(C)(O)c1ccc(cc1)C 1458a_100011434902_100000210202 [0,2,0,0,0,0|1,0,0]=3 661 B14R1.1013 CCC(=O)C(C)(O)c1ccc(cc1)Cl 1458a_100000695402_100000210202 [0,2,0,0,0,0|1,0,0]=3 662 B14R1.1013 CNC(=O)C(C)(C)c1ccc(cc1)Br 11a_106832991635_100000740082 [0,2,0,0,0,0|2,0,0]=4 663 B14R1.1013 CNC(=O)C(C)(C)c1ccc(cc1)Br 1626a_100102657272_100000740082 [0,2,0,0,0,0|2,0,0]=4 664 B14R1.1013 CNC(=O)C(C)(C)c1ccc(cc1)Br 240690a_100102657272_100000740082 [0,2,0,0,0,0|2,0,0]=4 665 B14R1.1013 CNC(=O)C(C)(C)c1ccc(cc1)Br 527a_100102657272_100000740082 [0,2,0,0,0,0|2,0,0]=4 666 B14R1.1013 CNC(=O)C(C)(C)c1ccc(cc1)C 11a_106832991635_100000751694 [0,2,0,0,0,0|2,0,0]=4 667 B14R1.1013 CNC(=O)C(C)(C)c1ccc(cc1)C 1626a_100102657272_100000751694 [0,2,0,0,0,0|2,0,0]=4 668 B14R1.1013 CNC(=O)C(C)(C)c1ccc(cc1)C 240690a_100102657272_100000751694 [0,2,0,0,0,0|2,0,0]=4 669 B14R1.1013 CNC(=O)C(C)(C)c1ccc(cc1)C 527a_100102657272_100000751694 [0,2,0,0,0,0|2,0,0]=4 670 B14R1.1013 CNC(=O)C(C)(C)c1ccc(cc1)Cl 11a_106832991635_100000742901 [0,2,0,0,0,0|2,0,0]=4 671 B14R1.1013 CNC(=O)C(C)(C)c1ccc(cc1)Cl 1626a_100102657272_100000742901 [0,2,0,0,0,0|2,0,0]=4 672 B14R1.1013 CNC(=O)C(C)(C)c1ccc(cc1)Cl 240690a_100102657272_100000742901 [0,2,0,0,0,0|2,0,0]=4 673 B14R1.1013 CNC(=O)C(C)(C)c1ccc(cc1)Cl 527a_100102657272_100000742901 [0,2,0,0,0,0|2,0,0]=4 674 B14R1.1013 CNC(=O)C(C)(C)c1ccc(cc1)F 11a_106832991635_100000751650 [0,2,0,0,0,0|2,0,0]=4 675 B14R1.1013 CNC(=O)C(C)(C)c1ccc(cc1)F 1626a_100102657272_100000751650 [0,2,0,0,0,0|2,0,0]=4 676 B14R1.1013 CNC(=O)C(C)(C)c1ccc(cc1)F 240690a_100102657272_100000751650 [0,2,0,0,0,0|2,0,0]=4 677 B14R1.1013 CNC(=O)C(C)(C)c1ccc(cc1)F 527a_100102657272_100000751650 [0,2,0,0,0,0|2,0,0]=4 678 B14R1.1013 CNC(=O)C(C)(C)c1ccc(cc1)O 240690a_100102657272_100000721645 [0,2,0,0,0,0|2,0,0]=4 679 B14R1.1013 CNC(=O)C(C)(O)c1ccc(cc1)C 240690a_100102657272_100011434902 [0,2,0,0,0,0|1,0,0]=3 680 B14R1.1013 CNC(=O)C(C)(O)c1ccc(cc1)Cl 240690a_100102657272_100000695402 [0,2,0,0,0,0|1,0,0]=3 681 B14R1.1013 COC(=O)C(C)(C)c1ccc(cc1)O 271570a_203496583355_100009814657 [0,2,0,0,0,0|1,0,0]=3 682 B14R1.1013 Cc1ccc(cc1)C(C)(C)C(=O)CF 1458a_100000751694_100015361967 [0,2,0,0,0,0|2,0,0]=4 683 B14R1.1013 Cc1ccc(cc1)C(C)(O)C(=O)CF 1458a_100011434902_100015361967 [0,2,0,0,0,0|1,0,0]=3 684 B14R1.3637 CC(N[13CH3])(C(=O)O)c1ccc(cc1)F 269956a_100011223815_200025704644 [0,2,0,0,0,0|1,0,0]=3 685 B14R1.3637 CNC(C)(C(=O)O)c1ccc(cc1)F 269956a_100011223815_200000210301 [0,2,0,0,0,0|1,0,0]=3 686 B14R1.4470 CC(=O)C(C)(C)c1ccc(cc1Cl)Cl 1458a_100011389698_200000210301 [0,2,0,0,0,0|2,0,0]=4 687 B14R1.4470 CC(C)(C(=O)[13CH3])c1ccc(cc1Cl)Cl 1458a_100011389698_200025704644 [0,2,0,0,0,0|2,0,0]=4 688 B14R1.510 C#CCC(=O)C(C)(C)c1ccccc1 1458a_100000211857_100000184674 [0,2,0,0,0,0|2,0,0]=4 689 B14R1.510 C#CCC(=O)C(C)(C)c1ccccc1 1458a_100011220946_100000034625 [0,2,0,0,0,0|2,0,0]=4 690 B14R1.510 C#CCC(=O)[C@](C)(O)c1ccccc1 1458a_100000753667_100000184674 [0,2,0,0,0,0|1,0,0]=3 691 B14R1.510 C=CCC(=O)C(C)(C)c1ccccc1 1458a_100000210193_100000034625 [0,2,0,0,0,0|2,0,0]=4 692 B14R1.510 C=CCC(=O)C(C)(C)c1ccccc1 1458a_100000211857_100000210623 [0,2,0,0,0,0|2,0,0]=4 693 B14R1.510 C=CCC(=O)[C@](C)(O)c1ccccc1 1458a_100000753667_100000210623 [0,2,0,0,0,0|1,0,0]=3 694 B14R1.510 CC#CC(=O)C(C)(C)c1ccccc1 1458a_100000763181_100000034625 [0,2,0,0,0,0|2,0,0]=4 695 B14R1.510 CC(C)(C(=O)C=CBr)c1ccccc1 1458a_100016273825_100000034625 [0,2,0,0,0,0|2,0,0]=4 696 B14R1.510 CC(C)(C(=O)C=CCl)c1ccccc1 1458a_200016279998_100000034625 [0,2,0,0,0,0|2,0,0]=4 697 B14R1.510 CC(C)(C(=O)C=CI)c1ccccc1 1458a_100016256311_100000034625 [0,2,0,0,0,0|2,0,0]=4 698 B14R1.510 CC(C)(C(=O)CC#N)c1ccccc1 1458a_100000211857_100011214920 [0,2,0,0,0,0|2,0,0]=4 699 B14R1.510 CC(C)(C(=O)CC#N)c1ccccc1 1458a_100051588842_100000034625 [0,2,0,0,0,0|2,0,0]=4 700 B14R1.510 CC(C)(C(=O)CCF)c1ccccc1 1458a_100000211857_100011217306 [0,2,0,0,0,0|2,0,0]=4 701 B14R1.510 CC(C)(C(=O)CCO)c1ccccc1 1458a_100000211857_100000211926 [0,2,0,0,0,0|1,0,0]=3 702 B14R1.510 CC(C)(C(=O)CCO)c1ccccc1 1458a_100011216618_100000034625 [0,2,0,0,0,0|1,0,0]=3 703 B14R1.510 CC=CC(=O)C(C)(C)c1ccccc1 1458a_100000210699_100000034625 [0,2,0,0,0,0|2,0,0]=4 704 B14R1.510 CCCC(=O)C(C)(C)c1ccccc1 1458a_100000211857_100000210303 [0,2,0,0,0,0|2,0,0]=4 705 B14R1.510 CCCC(=O)C(C)(C)c1ccccc1 1458a_100000211992_100000034625 [0,2,0,0,0,0|2,0,0]=4 706 B14R1.510 CCCC(=O)[C@](C)(O)c1ccccc1 1458a_100000753667_100000210303 [0,2,0,0,0,0|1,0,0]=3 707 B14R1.510 CCNC(=O)C(C)(C)c1ccccc1 11a_100015525214_100000211857 [0,2,0,0,0,0|2,0,0]=4 708 B14R1.510 CCNC(=O)C(C)(C)c1ccccc1 240690a_100015525214_100000211857 [0,2,0,0,0,0|2,0,0]=4 709 B14R1.510 CCNC(=O)C(C)(C)c1ccccc1 527a_100015525214_100000211857 [0,2,0,0,0,0|2,0,0]=4 710 B14R1.510 CCNC(=O)[C@](C)(O)c1ccccc1 240690a_100015525214_100000753667 [0,2,0,0,0,0|1,0,0]=3 711 B14R1.510 CNNC(=O)C(C)(C)c1ccccc1 22a_100016993582_100000211857 [0,2,0,0,0,0|2,0,0]=4 712 B14R1.510 CNNC(=O)[C@](C)(O)c1ccccc1 22a_100016993582_100000753667 [0,2,0,0,0,0|1,0,0]=3 713 B14R1.510 COCC(=O)C(C)(C)c1ccccc1 1458a_100000210968_100000034625 [0,2,0,0,0,0|1,0,0]=3 714 B14R1.510 COCC(=O)C(F)(F)c1ccccc1 1458a_100000210968_100000036403 [0,2,0,0,0,0|2,0,0]=4 715 B14R1.510 CSCC(=O)C(C)(C)c1ccccc1 1458a_100000184570_100000034625 [0,2,0,0,0,0|1,1,0]=4 716 B14R1.510 C[C@](O)(C(=O)CC#N)c1ccccc1 1458a_100000753667_100011214920 [0,2,0,0,0,0|1,0,0]=3 717 B14R1.510 C[C@](O)(C(=O)CCF)c1ccccc1 1458a_100000753667_100011217306 [0,2,0,0,0,0|1,0,0]=3 718 B14R1.510 C[C@](O)(C(=O)CCO)c1ccccc1 1458a_100000753667_100000211926 [0,2,0,0,0,0|0,0,0]=2 719 B14R1.510 O=C(CCO)C(F)(F)c1ccccc1 1458a_100011216618_100000036403 [0,2,0,0,0,0|2,0,0]=4 720 B14R1.1014 CC(C)(C(=O)CF)c1cccc(c1)Br 1458a_100000749669_100015361967 [0,2,0,0,0,0|2,0,0]=4 721 B14R1.1014 CC(C)(C(=O)CF)c1cccc(c1)Cl 1458a_100000758063_100015361967 [0,2,0,0,0,0|2,0,0]=4 722 B14R1.1014 CCC(=O)C(C)(C)c1cccc(c1)Br 1458a_100000749669_100000210202 [0,2,0,0,0,0|2,0,0]=4 723 B14R1.1014 CCC(=O)C(C)(C)c1cccc(c1)Cl 1458a_100000758063_100000210202 [0,2,0,0,0,0|2,0,0]=4 724 B14R1.1014 CNC(=O)C(C)(C)c1cccc(c1)Br 11a_106832991635_100000749669 [0,2,0,0,0,0|2,0,0]=4 725 B14R1.1014 CNC(=O)C(C)(C)c1cccc(c1)Br 1626a_100102657272_100000749669 [0,2,0,0,0,0|2,0,0]=4 726 B14R1.1014 CNC(=O)C(C)(C)c1cccc(c1)Br 240690a_100102657272_100000749669 [0,2,0,0,0,0|2,0,0]=4 727 B14R1.1014 CNC(=O)C(C)(C)c1cccc(c1)Br 527a_100102657272_100000749669 [0,2,0,0,0,0|2,0,0]=4 728 B14R1.1014 CNC(=O)C(C)(C)c1cccc(c1)Cl 11a_106832991635_100000758063 [0,2,0,0,0,0|2,0,0]=4 729 B14R1.1014 CNC(=O)C(C)(C)c1cccc(c1)Cl 1626a_100102657272_100000758063 [0,2,0,0,0,0|2,0,0]=4 730 B14R1.1014 CNC(=O)C(C)(C)c1cccc(c1)Cl 240690a_100102657272_100000758063 [0,2,0,0,0,0|2,0,0]=4 731 B14R1.1014 CNC(=O)C(C)(C)c1cccc(c1)Cl 527a_100102657272_100000758063 [0,2,0,0,0,0|2,0,0]=4 732 B14R1.1014 COC(=O)C(C)(C)c1cccc(c1)O 271570a_203496583355_100009815691 [0,2,0,0,0,0|1,0,0]=3 733 B14R1.1014 COC(=O)C(F)(F)c1cccc(c1)O 271570a_203496583355_200010729769 [0,2,0,0,0,0|2,0,0]=4 734 B14R1.2908 CC(C)(C(=O)CF)c1ccccc1F 1458a_100000748980_100015361967 [0,2,0,0,0,0|2,0,0]=4 735 B14R1.2908 CCC(=O)C(C)(C)c1ccccc1F 1458a_100000748980_100000210202 [0,2,0,0,0,0|2,0,0]=4 736 B14R1.2908 CNC(=O)C(C)(C)c1ccccc1F 11a_106832991635_100000748980 [0,2,0,0,0,0|2,0,0]=4 737 B14R1.2908 CNC(=O)C(C)(C)c1ccccc1F 1626a_100102657272_100000748980 [0,2,0,0,0,0|2,0,0]=4 738 B14R1.2908 CNC(=O)C(C)(C)c1ccccc1F 240690a_100102657272_100000748980 [0,2,0,0,0,0|2,0,0]=4 739 B14R1.2908 CNC(=O)C(C)(C)c1ccccc1F 527a_100102657272_100000748980 [0,2,0,0,0,0|2,0,0]=4 740 B14R1.2908 O=C(CO)C(F)(F)c1ccccc1F 1458a_100000210174_100000070671 [0,2,0,0,0,0|2,0,0]=4 741 B14R1.2982 CCC(=O)C(O)(CC)c1ccccc1 1458a_100011434905_100000210202 [0,2,0,0,0,0|1,0,0]=3 742 B14R1.2982 CCC(O)(C(=O)CF)c1ccccc1 1458a_100011434905_100015361967 [0,2,0,0,0,0|1,0,0]=3 743 B14R1.2982 CCC(O)(C(=O)NC)c1ccccc1 240690a_100102657272_100011434905 [0,2,0,0,0,0|1,0,0]=3 744 B14R1.2982 COC(=O)C(C)(OC)c1ccccc1 7a_100000758438_200000210301 [0,2,0,0,0,0|0,0,0]=2 745 B14R1.2982 COC(=O)C(C)(O[13CH3])c1ccccc1 7a_100000758438_200025704644 [0,2,0,0,0,0|0,0,0]=2 746 B14R1.6939 CCC(CC)(C(=O)C)c1ccccc1 1458a_100000765338_200000210301 [0,2,0,0,0,0|2,0,0]=4 747 B14R1.6939 CCC(CC)(C(=O)[13CH3])c1ccccc1 1458a_100000765338_200025704644 [0,2,0,0,0,0|2,0,0]=4 748 B14R1.6939 CCC(NC)(C(=O)O)c1ccccc1 269956a_100000752917_200000210301 [0,2,0,0,0,0|1,0,0]=3 749 B14R1.6939 CCC(N[13CH3])(C(=O)O)c1ccccc1 269956a_100000752917_200025704644 [0,2,0,0,0,0|1,0,0]=3 750 B14R1.3583 C=Cc1cccc(c1)C(C)(C)C(=O)N 271570a_100011290941_200009815690 [0,2,0,0,0,0|2,0,0]=4 751 B14R1.3583 CC(C)(C(=O)N)c1cccc(c1)S[13CH3] 62a_200009815690_200025704644 [0,2,0,0,0,0|2,0,0]=4 752 B14R1.3583 CC(C)(C(=O)N)c1cccc(c1)S[13CH3] 62a_200025704644_200009815690 [0,2,0,0,0,0|2,0,0]=4 753 B14R1.3583 COc1cccc(c1)C(C)(C)C(=O)C 1458a_100011440157_200000210301 [0,2,0,0,0,0|2,0,0]=4 754 B14R1.3583 COc1cccc(c1)C(C)(C)C(=O)[13CH3] 1458a_100011440157_200025704644 [0,2,0,0,0,0|2,0,0]=4 755 B14R1.3583 CSc1cccc(c1)C(C)(C)C(=O)N 62a_200000210301_200009815690 [0,2,0,0,0,0|2,0,0]=4 756 B14R1.3583 CSc1cccc(c1)C(C)(C)C(=O)N 62a_200009815690_200000210301 [0,2,0,0,0,0|2,0,0]=4 757 B14R1.1711 COc1ccccc1C(C)(C)C(=O)C 1458a_100000747510_200000210301 [0,2,0,0,0,0|2,0,0]=4 758 B14R1.1711 COc1ccccc1C(C)(C)C(=O)[13CH3] 1458a_100000747510_200025704644 [0,2,0,0,0,0|2,0,0]=4 759 B14R1.5981 CC(=O)C(C)(C)c1c(cccc1F)F 1458a_100011975622_200000210301 [0,2,0,0,0,0|2,0,0]=4 760 B14R1.5981 CC(C)(C(=O)[13CH3])c1c(cccc1F)F 1458a_100011975622_200025704644 [0,2,0,0,0,0|2,0,0]=4 761 B12R2.18 Cc1c(sc2c1cccc2)O 271570a_203496583355_200010198769 [1,0,0,1,0,0|0,1,1]=4 762 B12R2.18 Cc1oc2ccccc2c1O 271570a_203496583355_200010236113 [1,0,0,1,0,0|1,0,1]=4 763 B12R2.18 Cn1c(nc2c1cccc2)O 271570a_203496583355_200000239431 [1,0,0,1,0,0|2,0,0]=4 764 B12R2.3190 CC(=O)C1Cc2c1cccc2 1458a_200000238571_200000210301 [1,0,0,1,0,0|1,0,0]=3 765 B12R2.3190 [13CH3]C(=O)C1Cc2c1cccc2 1458a_200000238571_200025704644 [1,0,0,1,0,0|1,0,0]=3 766 B14R2.1014 CC(=O)NC1(CC1)c2ccccc2 11a_100000749958_100015343762 [0,0,0,1,0,1|2,0,0]=4 767 B14R2.1014 CC(=O)NC1(CC1)c2ccccc2 1626a_100000749958_100015343762 [0,0,0,1,0,1|2,0,0]=4 768 B14R2.1014 CC(=O)NC1(CC1)c2ccccc2 240690a_100000749958_100015343762 [0,0,0,1,0,1|2,0,0]=4 769 B14R2.1014 CC(=O)NC1(CC1)c2ccccc2 527a_100000749958_100103153847 [0,0,0,1,0,1|2,0,0]=4 770 B14R2.788 CC(=O)C1(CC1)Sc2ccccc2 62a_100000086384_100000041952 [0,0,0,1,0,1|2,0,0]=4 771 B14R2.788 CC(=O)C1(CC1)Sc2ccccc2 62a_100000719477_100000086384 [0,0,0,1,0,1|2,0,0]=4 772 B14R2.788 NC(=O)C1(CC1)Nc2ccccc2 34a_100000106764_100010760883 [0,0,0,1,0,1|2,0,0]=4 773 B14R2.788 NC(=O)C1(CC1)Oc2ccccc2 34a_100000210340_100010760883 [0,0,0,1,0,1|2,0,0]=4 774 B14R2.788 NC(=O)C1(CC1)Oc2ccccc2 7a_100000210340_100010760883 [0,0,0,1,0,1|2,0,0]=4 775 B14R2.788 NC(=O)C1(CC1)Sc2ccccc2 62a_100000719477_100010760883 [0,0,0,1,0,1|2,0,0]=4 776 B14R2.788 NC(=O)C1(CC1)Sc2ccccc2 62a_100010760883_100000041952 [0,0,0,1,0,1|2,0,0]=4 777 B14R2.4646 CC1(C(=O)Nc2c1ccc(c2)O)C 271570a_203496583355_100000686694 [0,1,0,1,0,0|2,0,0]=4 778 B14R2.10595 CC(=O)C1(CC1)c2ccc(cc2)Br 1458a_100000735772_200000210301 [0,1,0,1,0,0|2,0,0]=4 779 B14R2.10595 CC(=O)C1(CC1)c2ccc(cc2)C 1458a_100011271466_200000210301 [0,1,0,1,0,0|2,0,0]=4 780 B14R2.10595 CC(=O)C1(CC1)c2ccc(cc2)Cl 1458a_100000211654_200000210301 [0,1,0,1,0,0|2,0,0]=4 781 B14R2.10595 CC(=O)C1(CC1)c2ccc(cc2)F 1458a_100000246798_200000210301 [0,1,0,1,0,0|2,0,0]=4 782 B14R2.10595 Cc1ccc(cc1)C2(CC2)C(=O)[13CH3] 1458a_100011271466_200025704644 [0,1,0,1,0,0|2,0,0]=4 783 B14R2.10595 NC(=O)C1(CC1)c2ccc(cc2)O 271570a_203496583355_200011211397 [0,1,0,1,0,0|2,0,0]=4 784 B14R2.10595 [13CH3]C(=O)C1(CC1)c2ccc(cc2)Br 1458a_100000735772_200025704644 [0,1,0,1,0,0|2,0,0]=4 785 B14R2.10595 [13CH3]C(=O)C1(CC1)c2ccc(cc2)Cl 1458a_100000211654_200025704644 [0,1,0,1,0,0|2,0,0]=4 786 B14R2.10595 [13CH3]C(=O)C1(CC1)c2ccc(cc2)F 1458a_100000246798_200025704644 [0,1,0,1,0,0|2,0,0]=4 787 B14R2.979 CCC(=O)C1(CC1)c2ccccc2 1458a_100000211650_100000210202 [0,1,0,1,0,0|2,0,0]=4 788 B14R2.979 CNC(=O)C1(CC1)c2ccccc2 11a_106832991635_100000211650 [0,1,0,1,0,0|2,0,0]=4 789 B14R2.979 CNC(=O)C1(CC1)c2ccccc2 1626a_100102657272_100000211650 [0,1,0,1,0,0|2,0,0]=4 790 B14R2.979 CNC(=O)C1(CC1)c2ccccc2 240690a_100102657272_100000211650 [0,1,0,1,0,0|2,0,0]=4 791 B14R2.979 CNC(=O)C1(CC1)c2ccccc2 527a_100102657272_100000211650 [0,1,0,1,0,0|2,0,0]=4 792 B14R2.979 O=C(CF)C1(CC1)c2ccccc2 1458a_100000211650_100015361967 [0,1,0,1,0,0|2,0,0]=4 793 B14R2.9538 CC(=O)C1(CCC1)c2ccccc2 1458a_100000215631_200000210301 [0,1,0,1,0,0|2,0,0]=4 794 B14R2.9538 [13CH3]C(=O)C1(CCC1)c2ccccc2 1458a_100000215631_200025704644 [0,1,0,1,0,0|2,0,0]=4 795 B14R2.17474 CC1(C(=O)Nc2c1cccc2)O[13CH3] 34a_100000695988_200025704644 [0,1,0,1,0,0|1,0,0]=3 796 B14R2.17474 COC1(C(=O)Nc2c1cccc2)C 34a_100000695988_200000210301 [0,1,0,1,0,0|1,0,0]=3 797 B14R2.20876 CC(=O)C1(CC1)c2cccc(c2)Br 1458a_100000736677_200000210301 [0,1,0,1,0,0|2,0,0]=4 798 B14R2.20876 CC(=O)C1(CC1)c2cccc(c2)C 1458a_100000744405_200000210301 [0,1,0,1,0,0|2,0,0]=4 799 B14R2.20876 CC(=O)C1(CC1)c2cccc(c2)Cl 1458a_100000736705_200000210301 [0,1,0,1,0,0|2,0,0]=4 800 B14R2.20876 CC(=O)C1(CC1)c2cccc(c2)F 1458a_100000756344_200000210301 [0,1,0,1,0,0|2,0,0]=4 801 B14R2.20876 Cc1cccc(c1)C2(CC2)C(=O)[13CH3] 1458a_100000744405_200025704644 [0,1,0,1,0,0|2,0,0]=4 802 B14R2.20876 [13CH3]C(=O)C1(CC1)c2cccc(c2)Br 1458a_100000736677_200025704644 [0,1,0,1,0,0|2,0,0]=4 803 B14R2.20876 [13CH3]C(=O)C1(CC1)c2cccc(c2)Cl 1458a_100000736705_200025704644 [0,1,0,1,0,0|2,0,0]=4 804 B14R2.20876 [13CH3]C(=O)C1(CC1)c2cccc(c2)F 1458a_100000756344_200025704644 [0,1,0,1,0,0|2,0,0]=4 805 B14R2.4630 CC(=O)C1(CC1)c2ccccc2Br 1458a_100000707476_200000210301 [0,1,0,1,0,0|2,0,0]=4 806 B14R2.4630 CC(=O)C1(CC1)c2ccccc2Cl 1458a_100011549969_200000210301 [0,1,0,1,0,0|2,0,0]=4 807 B14R2.4630 CC(=O)C1(CC1)c2ccccc2F 1458a_100000757711_200000210301 [0,1,0,1,0,0|2,0,0]=4 808 B14R2.4630 [13CH3]C(=O)C1(CC1)c2ccccc2Br 1458a_100000707476_200025704644 [0,1,0,1,0,0|2,0,0]=4 809 B14R2.4630 [13CH3]C(=O)C1(CC1)c2ccccc2Cl 1458a_100011549969_200025704644 [0,1,0,1,0,0|2,0,0]=4 810 B14R2.4630 [13CH3]C(=O)C1(CC1)c2ccccc2F 1458a_100000757711_200025704644 [0,1,0,1,0,0|2,0,0]=4 811 B10R1.23 CC(=O)C(C)n1cccc1 1458a_100000243804_200000210301 [1,0,0,0,1,0|2,0,0]=4 812 B10R1.23 CC(C(=O)[13CH3])n1cccc1 1458a_100000243804_200025704644 [1,0,0,0,1,0|2,0,0]=4 813 B12R1.43 C/C(=C\c1ccccc1)/C(=O)[13CH3] 1458a_100016990649_200025704644 [1,0,0,0,0,1|1,0,1]=4 814 B12R1.43 CC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_200000210301 [1,0,0,0,0,1|1,0,1]=4 815 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000070787_200011218536 [1,0,0,0,0,1|1,0,0]=3 816 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000754839_200000210301 [1,0,0,0,0,1|1,0,0]=3 817 B12R1.43 CC(=O)C(C)Cc1ccccn1 1458a_100012000792_200000210301 [1,0,0,0,0,1|2,0,0]=4 818 B12R1.43 CC(=O)C(C)Oc1ccccc1 1458a_100000188414_200000210301 [1,0,0,0,0,1|1,0,0]=3 819 B12R1.43 CC(=O)C(C)Oc1ccccc1 7a_100000210340_100000179758 [1,0,0,0,0,1|1,0,0]=3 820 B12R1.43 CC(=O)C(C)Oc1cccnc1 7a_100000210849_100000179758 [1,0,0,0,0,1|2,0,0]=4 821 B12R1.43 CC(=O)C(C)Sc1ccccc1 1458a_100000199063_200000210301 [1,0,0,0,0,1|1,0,0]=3 822 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100000719477_100009814033 [1,0,0,0,0,1|1,0,0]=3 823 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100009814033_100000041952 [1,0,0,0,0,1|1,0,0]=3 824 B12R1.43 CC(=O)C(C)Sc1ccccn1 1458a_100000156770_200000210301 [1,0,0,0,0,1|2,0,0]=4 825 B12R1.43 CC(=O)C(C)Sc1ccccn1 62a_100009814033_100011216584 [1,0,0,0,0,1|2,0,0]=4 826 B12R1.43 CC(=O)C(C)Sc1ccccn1 62a_100011216584_100009814033 [1,0,0,0,0,1|2,0,0]=4 827 B12R1.43 CC(=O)C(C)Sc1cccnc1 62a_100000210063_100009814033 [1,0,0,0,0,1|2,0,0]=4 828 B12R1.43 CC(=O)C(C)Sc1cccnc1 62a_100009814033_100000210063 [1,0,0,0,0,1|2,0,0]=4 829 B12R1.43 CC(=O)C(C)Sc1ccncc1 62a_100000728582_100009814033 [1,0,0,0,0,1|2,0,0]=4 830 B12R1.43 CC(=O)C(C)Sc1ccncc1 62a_100009814033_100000728582 [1,0,0,0,0,1|2,0,0]=4 831 B12R1.43 CC(=O)N(C)Cc1ccccc1 11a_100000186898_100015343762 [1,0,0,0,0,1|2,0,0]=4 832 B12R1.43 CC(=O)N(C)Cc1ccccc1 1626a_100000186898_100015343762 [1,0,0,0,0,1|2,0,0]=4 833 B12R1.43 CC(=O)N(C)Cc1ccccc1 240690a_100000186898_100015343762 [1,0,0,0,0,1|2,0,0]=4 834 B12R1.43 CC(=O)N(C)Cc1ccccc1 527a_100000186898_100103153847 [1,0,0,0,0,1|2,0,0]=4 835 B12R1.43 CC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200000210301 [1,0,0,0,0,1|1,0,0]=3 836 B12R1.43 CC(Cc1ccccc1)C(=O)[13CH3] 1458a_100000754839_200025704644 [1,0,0,0,0,1|1,0,0]=3 837 B12R1.43 CC(Cc1ccccn1)C(=O)[13CH3] 1458a_100012000792_200025704644 [1,0,0,0,0,1|2,0,0]=4 838 B12R1.43 CC(Nc1ccccc1)C(=O)N 34a_100000106764_100000702099 [1,0,0,0,0,1|1,0,0]=3 839 B12R1.43 CC(Oc1ccccc1)C(=O)N 34a_100000210340_100000702099 [1,0,0,0,0,1|1,0,0]=3 840 B12R1.43 CC(Oc1ccccc1)C(=O)N 7a_100000210340_100000702099 [1,0,0,0,0,1|1,0,0]=3 841 B12R1.43 CC(Oc1ccccc1)C(=O)[13CH3] 1458a_100000188414_200025704644 [1,0,0,0,0,1|1,0,0]=3 842 B12R1.43 CC(Oc1cccnc1)C(=O)N 34a_100000210849_100000702099 [1,0,0,0,0,1|2,0,0]=4 843 B12R1.43 CC(Oc1cccnc1)C(=O)N 7a_100000210849_100000702099 [1,0,0,0,0,1|2,0,0]=4 844 B12R1.43 CC(Oc1ccncc1)C(=O)N 34a_100000212176_100000702099 [1,0,0,0,0,1|2,0,0]=4 845 B12R1.43 CC(Sc1ccccc1)C(=O)N 62a_100000702099_100000041952 [1,0,0,0,0,1|1,0,0]=3 846 B12R1.43 CC(Sc1ccccc1)C(=O)N 62a_100000719477_100000702099 [1,0,0,0,0,1|1,0,0]=3 847 B12R1.43 CC(Sc1ccccc1)C(=O)[13CH3] 1458a_100000199063_200025704644 [1,0,0,0,0,1|1,0,0]=3 848 B12R1.43 CC(Sc1ccccn1)C(=O)N 62a_100000702099_100011216584 [1,0,0,0,0,1|2,0,0]=4 849 B12R1.43 CC(Sc1ccccn1)C(=O)N 62a_100011216584_100000702099 [1,0,0,0,0,1|2,0,0]=4 850 B12R1.43 CC(Sc1ccccn1)C(=O)[13CH3] 1458a_100000156770_200025704644 [1,0,0,0,0,1|2,0,0]=4 851 B12R1.43 CC(Sc1cccnc1)C(=O)N 62a_100000210063_100000702099 [1,0,0,0,0,1|2,0,0]=4 852 B12R1.43 CC(Sc1cccnc1)C(=O)N 62a_100000702099_100000210063 [1,0,0,0,0,1|2,0,0]=4 853 B12R1.43 CC(Sc1ccncc1)C(=O)N 62a_100000702099_100000728582 [1,0,0,0,0,1|2,0,0]=4 854 B12R1.43 CC(Sc1ccncc1)C(=O)N 62a_100000728582_100000702099 [1,0,0,0,0,1|2,0,0]=4 855 B12R1.43 NC(=O)C(F)Nc1ccccc1 34a_100000106764_100009813875 [1,0,0,0,0,1|2,0,0]=4 856 B12R1.43 NC(=O)C(F)Oc1ccccc1 34a_100000210340_100009813875 [1,0,0,0,0,1|2,0,0]=4 857 B12R1.43 NC(=O)C(F)Oc1ccccc1 7a_100000210340_100009813875 [1,0,0,0,0,1|2,0,0]=4 858 B12R1.43 NC(=O)C(F)Sc1ccccc1 62a_100000719477_100009813875 [1,0,0,0,0,1|2,0,0]=4 859 B12R1.43 NC(=O)C(F)Sc1ccccc1 62a_100009813875_100000041952 [1,0,0,0,0,1|2,0,0]=4 860 B12R1.43 O=C([O-])C(F)Nc1ccccc1 34a_100000106764_100020610796 [1,0,0,0,0,1|1,0,1]=4 861 B12R1.43 O=C([O-])C(F)Oc1ccccc1 34a_100000210340_100020610796 [1,0,0,0,0,1|1,0,1]=4 862 B12R1.43 O=C([O-])C(F)Sc1ccccc1 62a_100000719477_100020610796 [1,0,0,0,0,1|1,0,1]=4 863 B12R1.43 O=C([O-])C(F)Sc1ccccc1 62a_100020610796_100000041952 [1,0,0,0,0,1|1,0,1]=4 864 B12R1.43 [13CH3]C(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200025704644 [1,0,0,0,0,1|1,0,0]=3 865 B12R1.107 CC(=CC(=O)[13CH3])c1ccccc1 1458a_100000743005_200025704644 [1,0,0,0,0,1|1,0,1]=4 866 B12R1.107 CC(=O)C=C(C)c1ccccc1 1458a_100000743005_200000210301 [1,0,0,0,0,1|1,0,1]=4 867 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000070787_100000756946 [1,0,0,0,0,1|1,0,0]=3 868 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000183687_200000210301 [1,0,0,0,0,1|1,0,0]=3 869 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000070787_100000185958 [1,0,0,0,0,1|1,0,0]=3 870 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000690199_200000210301 [1,0,0,0,0,1|1,0,0]=3 871 B12R1.107 CC(=O)CN(C)c1ccccc1 1458a_100000745425_200000210301 [1,0,0,0,0,1|2,0,0]=4 872 B12R1.107 CC(=O)C[C@@H](O)c1ccccc1 1458a_100000070787_100011933945 [1,0,0,0,0,1|1,0,0]=3 873 B12R1.107 CC(=O)NC(C)c1ccccn1 11a_100000181244_100015343762 [1,0,0,0,0,1|2,0,0]=4 874 B12R1.107 CC(=O)NC(C)c1ccccn1 1626a_100000181244_100015343762 [1,0,0,0,0,1|2,0,0]=4 875 B12R1.107 CC(=O)NC(C)c1ccccn1 240690a_100000181244_100015343762 [1,0,0,0,0,1|2,0,0]=4 876 B12R1.107 CC(=O)NC(C)c1ccccn1 527a_100000181244_100103153847 [1,0,0,0,0,1|2,0,0]=4 877 B12R1.107 CC(=O)NC(C)c1cccnc1 11a_100000195435_100015343762 [1,0,0,0,0,1|2,0,0]=4 878 B12R1.107 CC(=O)NC(C)c1cccnc1 240690a_100000195435_100015343762 [1,0,0,0,0,1|2,0,0]=4 879 B12R1.107 CC(=O)NC(C)c1cccnc1 527a_100000195435_100103153847 [1,0,0,0,0,1|2,0,0]=4 880 B12R1.107 CC(=O)NC(C)c1ccncc1 240690a_100000181269_100015343762 [1,0,0,0,0,1|2,0,0]=4 881 B12R1.107 CC(=O)NC(C)c1ccncc1 527a_100000181269_100103153847 [1,0,0,0,0,1|2,0,0]=4 882 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100015343762 [1,0,0,0,0,1|1,0,0]=3 883 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100015343762 [1,0,0,0,0,1|1,0,0]=3 884 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100015343762 [1,0,0,0,0,1|1,0,0]=3 885 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100103153847 [1,0,0,0,0,1|1,0,0]=3 886 B12R1.107 CC(CC(=O)[13CH3])c1ccccc1 1458a_100000183687_200025704644 [1,0,0,0,0,1|1,0,0]=3 887 B12R1.107 CN(CC(=O)N)c1ccccc1 2230a_100000210012_100000747473 [1,0,0,0,0,1|2,0,0]=4 888 B12R1.107 CN(CC(=O)N)c1ccccc1 2230a_100000212578_200000210301 [1,0,0,0,0,1|2,0,0]=4 889 B12R1.107 CN(CC(=O)N)c1ccccc1 269982a_100000210012_100000187820 [1,0,0,0,0,1|2,0,0]=4 890 B12R1.107 CN(CC(=O)N)c1ccccc1 269982a_100000212578_200000210301 [1,0,0,0,0,1|2,0,0]=4 891 B12R1.107 CN(CC(=O)N)c1ccccc1 34a_100000210012_100000187820 [1,0,0,0,0,1|2,0,0]=4 892 B12R1.107 CN(CC(=O)O)c1ccccc1 269956a_100000212060_200000210301 [1,0,0,0,0,1|1,0,0]=3 893 B12R1.107 CN(CC(=O)[13CH3])c1ccccc1 1458a_100000745425_200025704644 [1,0,0,0,0,1|2,0,0]=4 894 B12R1.107 CN(CC(=O)[O-])c1ccccc1 269982a_100000210012_100020667443 [1,0,0,0,0,1|1,0,1]=4 895 B12R1.107 CN(CC(=O)[O-])c1ccccc1 34a_100000210012_100020667443 [1,0,0,0,0,1|1,0,1]=4 896 B12R1.107 [13CH3]C(=O)CC(O)c1ccccc1 1458a_100000690199_200025704644 [1,0,0,0,0,1|1,0,0]=3 897 B12R1.107 [13CH3]N(CC(=O)N)c1ccccc1 2230a_100000212578_200025704644 [1,0,0,0,0,1|2,0,0]=4 898 B12R1.107 [13CH3]N(CC(=O)N)c1ccccc1 269982a_100000212578_200025704644 [1,0,0,0,0,1|2,0,0]=4 899 B12R1.107 [13CH3]N(CC(=O)O)c1ccccc1 269956a_100000212060_200025704644 [1,0,0,0,0,1|1,0,0]=3 900 B14R1.813 CC(=O)NCC(C)(C)c1ccccc1 11a_100011211644_100015343762 [0,0,0,0,0,2|2,0,0]=4 901 B14R1.813 CC(=O)NCC(C)(C)c1ccccc1 1626a_100011211644_100015343762 [0,0,0,0,0,2|2,0,0]=4 902 B14R1.813 CC(=O)NCC(C)(C)c1ccccc1 240690a_100011211644_100015343762 [0,0,0,0,0,2|2,0,0]=4 903 B14R1.813 CC(=O)NCC(C)(C)c1ccccc1 527a_100011211644_100103153847 [0,0,0,0,0,2|2,0,0]=4 904 B14R1.813 CC(=O)NCC(C)(O)c1ccccc1 527a_100011660926_100103153847 [0,0,0,0,0,2|1,0,0]=3 905 B14R1.813 CC(C)(NCC(=O)N)c1ccccc1 2230a_100000711301_100000034625 [0,0,0,0,0,2|2,0,0]=4 906 B14R1.813 CC(C)(NCC(=O)N)c1ccccc1 2230a_100011218174_100000747473 [0,0,0,0,0,2|2,0,0]=4 907 B14R1.813 CC(C)(NCC(=O)O)c1ccccc1 269956a_100016091260_100000034625 [0,0,0,0,0,2|1,0,0]=3 908 B14R1.813 CC(C)(OCC(=O)N)c1ccccc1 7a_100000694644_100000187820 [0,0,0,0,0,2|2,0,0]=4 909 B14R1.813 CC(C)(SCC(=O)N)c1ccccc1 62a_100000034625_100000747473 [0,0,0,0,0,2|2,0,0]=4 910 B14R1.813 CC(C)(SCC(=O)N)c1ccccc1 62a_100000747473_100000034625 [0,0,0,0,0,2|2,0,0]=4 911 B14R1.813 CC(C)(SCC(=O)[O-])c1ccccc1 62a_100000034625_100020667443 [0,0,0,0,0,2|1,0,1]=4 912 B14R1.813 CC(C)(SCC(=O)[O-])c1ccccc1 62a_100020667443_100000034625 [0,0,0,0,0,2|1,0,1]=4 913 B14R1.813 O=C(O)CNC(F)(F)c1ccccc1 269956a_100016091260_100000036403 [0,0,0,0,0,2|2,0,0]=4 914 B14R1.6395 CC(=O)C(C)(C)OCc1ccccc1 34a_100000747739_100015291786 [0,0,0,0,0,2|2,0,0]=4 915 B14R1.6395 CC(=O)C(C)(C)OCc1ccccc1 7a_100000210790_100000075568 [0,0,0,0,0,2|2,0,0]=4 916 B14R1.6395 CC(=O)C(C)(C)OCc1ccccc1 7a_100000747739_100000211182 [0,0,0,0,0,2|2,0,0]=4 917 B14R1.6395 CC(=O)C(C)(C)SCc1ccccc1 1458a_100011459008_200000210301 [0,0,0,0,0,2|2,0,0]=4 918 B14R1.6395 CC(=O)C(C)(C)SCc1ccccc1 62a_100000075568_100015291786 [0,0,0,0,0,2|2,0,0]=4 919 B14R1.6395 CC(=O)C(C)(C)SCc1ccccc1 62a_100000211182_100000075568 [0,0,0,0,0,2|2,0,0]=4 920 B14R1.6395 CC(C)(CNc1ccccc1)C(=O)N 34a_100000106764_200009895572 [0,0,0,0,0,2|2,0,0]=4 921 B14R1.6395 CC(C)(COc1ccccc1)C(=O)N 34a_100000210340_200009895572 [0,0,0,0,0,2|2,0,0]=4 922 B14R1.6395 CC(C)(CSc1ccccc1)C(=O)N 62a_100000719477_200009895572 [0,0,0,0,0,2|2,0,0]=4 923 B14R1.6395 CC(C)(CSc1ccccc1)C(=O)N 62a_200009895572_100000041952 [0,0,0,0,0,2|2,0,0]=4 924 B14R1.6395 CC(C)(NCc1ccccc1)C(=O)N 2230a_100000743658_100015291786 [0,0,0,0,0,2|2,0,0]=4 925 B14R1.6395 CC(C)(NCc1ccccc1)C(=O)N 2230a_100015324214_100000702505 [0,0,0,0,0,2|2,0,0]=4 926 B14R1.6395 CC(C)(NCc1ccccc1)C(=O)N 34a_100000743658_100015291786 [0,0,0,0,0,2|2,0,0]=4 927 B14R1.6395 CC(C)(NCc1ccccc1)C(=O)N 34a_100015324214_100000702505 [0,0,0,0,0,2|2,0,0]=4 928 B14R1.6395 CC(C)(OCc1ccccc1)C(=O)N 34a_100000210790_100000702505 [0,0,0,0,0,2|2,0,0]=4 929 B14R1.6395 CC(C)(OCc1ccccc1)C(=O)N 34a_100011626353_100015291786 [0,0,0,0,0,2|2,0,0]=4 930 B14R1.6395 CC(C)(OCc1ccccc1)C(=O)N 7a_100000210790_100000702505 [0,0,0,0,0,2|2,0,0]=4 931 B14R1.6395 CC(C)(OCc1ccccc1)C(=O)N 7a_100011626353_100000211182 [0,0,0,0,0,2|2,0,0]=4 932 B14R1.6395 CC(C)(SCc1ccccc1)C(=O)N 62a_100000211182_100000702505 [0,0,0,0,0,2|2,0,0]=4 933 B14R1.6395 CC(C)(SCc1ccccc1)C(=O)N 62a_100000702505_100015291786 [0,0,0,0,0,2|2,0,0]=4 934 B14R1.6395 CC(C)(SCc1ccccc1)C(=O)[13CH3] 1458a_100011459008_200025704644 [0,0,0,0,0,2|2,0,0]=4