0 B12R1.478 C=C(C)C(OC)c1ccccc1 34a_200011216824_200000210301 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.478 C=C(C)C(OC)c1ccccc1 7a_200011216824_200000210301 [0,0,0,0,0,0|2,0,2]=4 2 B12R1.478 C=C(C)C(O[13CH3])c1ccccc1 34a_200011216824_200025704644 [0,0,0,0,0,0|2,0,2]=4 3 B12R1.478 C=C(C)C(O[13CH3])c1ccccc1 7a_200011216824_200025704644 [0,0,0,0,0,0|2,0,2]=4 4 B12R1.478 C=CC(c1ccccc1)N(C)C 2230a_100102631434_200000085779 [0,0,0,0,0,0|2,0,0]=2 5 B12R1.478 C=CC(c1ccccc1)N(C)C 269982a_100102631434_200000085779 [0,0,0,0,0,0|2,0,0]=2 6 B12R1.478 CC(=O)C(CO)c1ccccc1 1458a_100011218805_200000210301 [0,0,0,0,0,0|1,0,3]=4 7 B12R1.478 CC(=O)C(S[13CH3])c1ccccc1 62a_100009888967_200025704644 [0,0,0,0,0,0|3,0,1]=4 8 B12R1.478 CC(=O)C(S[13CH3])c1ccccc1 62a_200025704644_100009888967 [0,0,0,0,0,0|3,0,1]=4 9 B12R1.478 CC(C)C(N[13CH3])c1ccccn1 2230a_100015183375_200025704644 [0,0,0,0,0,0|3,0,0]=3 10 B12R1.478 CC(C)C(N[13CH3])c1cccnc1 2230a_100015185317_200025704644 [0,0,0,0,0,0|3,0,0]=3 11 B12R1.478 CC(C)C(N[13CH3])c1ccncc1 2230a_100000755331_200025704644 [0,0,0,0,0,0|3,0,0]=3 12 B12R1.478 CC(C)C(O[13CH3])c1ccccc1 34a_200011217822_200025704644 [0,0,0,0,0,0|2,0,0]=2 13 B12R1.478 CC(C)C(O[13CH3])c1ccccc1 7a_200011217822_200025704644 [0,0,0,0,0,0|2,0,0]=2 14 B12R1.478 CC(C)N(CF)c1ccccc1 269982a_100000210572_100015361967 [0,0,0,0,0,0|2,0,1]=3 15 B12R1.478 CC(C)N(CF)c1ccccc1 34a_100000210572_100015361967 [0,0,0,0,0,0|2,0,1]=3 16 B12R1.478 CC(C)N(CF)c1ccccc1 7a_100000210572_100015361967 [0,0,0,0,0,0|2,0,1]=3 17 B12R1.478 CC(C)[C@H](N[13CH3])c1ccccc1 2230a_100015186014_200025704644 [0,0,0,0,0,0|2,0,0]=2 18 B12R1.478 CC(C)[C@H](N[13CH3])c1ccccc1 34a_100015186014_200025704644 [0,0,0,0,0,0|2,0,0]=2 19 B12R1.478 CCC(C(=O)C)c1ccccc1 1458a_100000211302_200000210301 [0,0,0,0,0,0|2,0,2]=4 20 B12R1.478 CCC(C(=O)[13CH3])c1ccccc1 1458a_100000211302_200025704644 [0,0,0,0,0,0|2,0,2]=4 21 B12R1.478 CCC(c1ccccc1)N(C)C 2230a_100000737544_200000210301 [0,0,0,0,0,0|2,0,1]=3 22 B12R1.478 CCC(c1ccccc1)N(C)C 269982a_100000737544_200000210301 [0,0,0,0,0,0|2,0,1]=3 23 B12R1.478 CCC(c1ccccc1)N(C)[13CH3] 2230a_100000737544_200025704644 [0,0,0,0,0,0|2,0,1]=3 24 B12R1.478 CCC(c1ccccc1)N(C)[13CH3] 269982a_100000737544_200025704644 [0,0,0,0,0,0|2,0,1]=3 25 B12R1.478 CCC(c1ccccn1)N(C)C 2230a_100011351527_200000210301 [0,0,0,0,0,0|3,0,1]=4 26 B12R1.478 CCC(c1ccccn1)N(C)C 269982a_100011351527_200000210301 [0,0,0,0,0,0|3,0,1]=4 27 B12R1.478 CCC(c1ccccn1)N(C)[13CH3] 2230a_100011351527_200025704644 [0,0,0,0,0,0|3,0,1]=4 28 B12R1.478 CCC(c1ccccn1)N(C)[13CH3] 269982a_100011351527_200025704644 [0,0,0,0,0,0|3,0,1]=4 29 B12R1.478 CCC(c1cccnc1)N(C)C 2230a_200011351541_200000210301 [0,0,0,0,0,0|3,0,1]=4 30 B12R1.478 CCC(c1cccnc1)N(C)C 269982a_200011351541_200000210301 [0,0,0,0,0,0|3,0,1]=4 31 B12R1.478 CCC(c1cccnc1)N(C)[13CH3] 2230a_200011351541_200025704644 [0,0,0,0,0,0|3,0,1]=4 32 B12R1.478 CCC(c1cccnc1)N(C)[13CH3] 269982a_200011351541_200025704644 [0,0,0,0,0,0|3,0,1]=4 33 B12R1.478 CCN(c1ccccc1)C(C)C 2230a_100000210013_100000210206 [0,0,0,0,0,0|2,0,1]=3 34 B12R1.478 CCN(c1ccccc1)C(C)C 2230a_100000210572_100000210202 [0,0,0,0,0,0|2,0,1]=3 35 B12R1.478 CCN(c1ccccc1)C(C)C 269982a_100000210013_100000210206 [0,0,0,0,0,0|2,0,1]=3 36 B12R1.478 CCN(c1ccccc1)C(C)C 269982a_100000210572_100000204670 [0,0,0,0,0,0|2,0,1]=3 37 B12R1.478 CCN(c1ccccc1)C(C)C 34a_100000210013_100000210206 [0,0,0,0,0,0|2,0,1]=3 38 B12R1.478 CCN(c1ccccc1)C(C)C 34a_100000210572_100000210202 [0,0,0,0,0,0|2,0,1]=3 39 B12R1.478 CCN(c1ccccc1)C(C)C 7a_100000210572_100000210202 [0,0,0,0,0,0|2,0,1]=3 40 B12R1.478 CNC(C(=O)C)c1ccccc1 2230a_106832991635_100009888967 [0,0,0,0,0,0|3,0,1]=4 41 B12R1.478 CNC(C(=O)C)c1ccccc1 7a_106832991635_100009888967 [0,0,0,0,0,0|3,0,1]=4 42 B12R1.478 CNC(c1ccccn1)C(C)C 2230a_100015183375_200000210301 [0,0,0,0,0,0|3,0,0]=3 43 B12R1.478 CNC(c1ccccn1)C(C)C 269862a_106832991636_100011350566 [0,0,0,0,0,0|3,0,0]=3 44 B12R1.478 CNC(c1cccnc1)C(C)C 2230a_100015185317_200000210301 [0,0,0,0,0,0|3,0,0]=3 45 B12R1.478 CNC(c1ccncc1)C(C)C 2230a_100000755331_200000210301 [0,0,0,0,0,0|3,0,0]=3 46 B12R1.478 CN[C@@H](c1ccccc1)[C@H](C)O 2230a_100134616770_200000210301 [0,0,0,0,0,0|3,0,0]=3 47 B12R1.478 CN[C@H](c1ccccc1)C(C)C 2230a_100015186014_200000210301 [0,0,0,0,0,0|2,0,0]=2 48 B12R1.478 CN[C@H](c1ccccc1)C(C)C 34a_100015186014_200000210301 [0,0,0,0,0,0|2,0,0]=2 49 B12R1.478 COC(c1ccccc1)C(C)C 34a_200011217822_200000210301 [0,0,0,0,0,0|2,0,0]=2 50 B12R1.478 COC(c1ccccc1)C(C)C 7a_200011217822_200000210301 [0,0,0,0,0,0|2,0,0]=2 51 B12R1.478 CO[C@@H](C(=O)C)c1ccccc1 1458a_100000698336_200000210301 [0,0,0,0,0,0|3,0,1]=4 52 B12R1.478 CO[C@@H](C(=O)[13CH3])c1ccccc1 1458a_100000698336_200025704644 [0,0,0,0,0,0|3,0,1]=4 53 B12R1.478 CSC(C(=O)C)c1ccccc1 62a_100009888967_200000210301 [0,0,0,0,0,0|3,0,1]=4 54 B12R1.478 CSC(C(=O)C)c1ccccc1 62a_200000210301_100009888967 [0,0,0,0,0,0|3,0,1]=4 55 B12R1.478 C[C@H](O)[C@@H](N[13CH3])c1ccccc1 2230a_100134616770_200025704644 [0,0,0,0,0,0|3,0,0]=3 56 B12R1.478 [13CH3]C(=O)C(CO)c1ccccc1 1458a_100011218805_200025704644 [0,0,0,0,0,0|1,0,3]=4 57 B11R1.12 C#CC(OC)c1ccccc1 34a_100011219616_200000210301 [1,0,0,0,0,0|2,0,1]=4 58 B11R1.12 C#CC(OC)c1ccccc1 7a_100011219616_200000210301 [1,0,0,0,0,0|2,0,1]=4 59 B11R1.12 C#CC(O[13CH3])c1ccccc1 34a_100011219616_200025704644 [1,0,0,0,0,0|2,0,1]=4 60 B11R1.12 C#CC(O[13CH3])c1ccccc1 7a_100011219616_200025704644 [1,0,0,0,0,0|2,0,1]=4 61 B11R1.12 C=CC(NC)c1ccccc1 2230a_106832991635_200000085779 [1,0,0,0,0,0|2,0,0]=3 62 B11R1.12 C=CC(OC)c1ccccc1 34a_100011215659_200000210301 [1,0,0,0,0,0|2,0,0]=3 63 B11R1.12 C=CC(OC)c1ccccc1 7a_100011215659_200000210301 [1,0,0,0,0,0|2,0,0]=3 64 B11R1.12 C=CC(O[13CH3])c1ccccc1 34a_100011215659_200025704644 [1,0,0,0,0,0|2,0,0]=3 65 B11R1.12 C=CC(O[13CH3])c1ccccc1 7a_100011215659_200025704644 [1,0,0,0,0,0|2,0,0]=3 66 B11R1.12 C=CC(SC)c1ccccc1 62a_200000085779_200000210301 [1,0,0,0,0,0|2,0,0]=3 67 B11R1.12 C=CC(SC)c1ccccc1 62a_200000210301_200000085779 [1,0,0,0,0,0|2,0,0]=3 68 B11R1.12 C=CC(S[13CH3])c1ccccc1 62a_200000085779_200025704644 [1,0,0,0,0,0|2,0,0]=3 69 B11R1.12 C=CC(S[13CH3])c1ccccc1 62a_200025704644_200000085779 [1,0,0,0,0,0|2,0,0]=3 70 B11R1.12 CCC(NC)c1ccccc1 2230a_100000737752_200000210301 [1,0,0,0,0,0|2,0,0]=3 71 B11R1.12 CCC(NC)c1ccccc1 269862a_106832991636_100000210124 [1,0,0,0,0,0|2,0,0]=3 72 B11R1.12 CCC(NC)c1ccccn1 2230a_100015186561_200000210301 [1,0,0,0,0,0|3,0,0]=4 73 B11R1.12 CCC(NC)c1ccccn1 269862a_106832991636_100000748178 [1,0,0,0,0,0|3,0,0]=4 74 B11R1.12 CCC(NC)c1cccnc1 2230a_100000246009_200000210301 [1,0,0,0,0,0|3,0,0]=4 75 B11R1.12 CCC(NC)c1cccnc1 269862a_106832991636_100011218761 [1,0,0,0,0,0|3,0,0]=4 76 B11R1.12 CCC(NC)c1ccncc1 269862a_106832991636_100011216016 [1,0,0,0,0,0|3,0,0]=4 77 B11R1.12 CCC(N[13CH3])c1ccccc1 2230a_100000737752_200025704644 [1,0,0,0,0,0|2,0,0]=3 78 B11R1.12 CCC(N[13CH3])c1ccccn1 2230a_100015186561_200025704644 [1,0,0,0,0,0|3,0,0]=4 79 B11R1.12 CCC(N[13CH3])c1cccnc1 2230a_100000246009_200025704644 [1,0,0,0,0,0|3,0,0]=4 80 B11R1.12 CCC(OC)c1ccccc1 34a_100000698172_200000210301 [1,0,0,0,0,0|2,0,0]=3 81 B11R1.12 CCC(OC)c1ccccc1 7a_100000698172_200000210301 [1,0,0,0,0,0|2,0,0]=3 82 B11R1.12 CCC(O[13CH3])c1ccccc1 34a_100000698172_200025704644 [1,0,0,0,0,0|2,0,0]=3 83 B11R1.12 CCC(O[13CH3])c1ccccc1 7a_100000698172_200025704644 [1,0,0,0,0,0|2,0,0]=3 84 B11R1.12 CCN(CC)c1ccccc1 2230a_100000210013_100000210202 [1,0,0,0,0,0|2,0,1]=4 85 B11R1.12 CCN(CC)c1ccccc1 269982a_100000210013_100000204670 [1,0,0,0,0,0|2,0,1]=4 86 B11R1.12 CCN(CC)c1ccccc1 34a_100000210013_100000210202 [1,0,0,0,0,0|2,0,1]=4 87 B11R1.12 CCN(CF)c1ccccc1 269982a_100000210013_100015361967 [1,0,0,0,0,0|2,0,1]=4 88 B11R1.12 CCN(CF)c1ccccc1 34a_100000210013_100015361967 [1,0,0,0,0,0|2,0,1]=4 89 B11R1.12 CN[C@H](CO)c1ccccc1 2230a_100000751927_200000210301 [1,0,0,0,0,0|1,0,2]=4 90 B11R1.12 CN[C@H](CO)c1ccccc1 34a_100000751927_200000210301 [1,0,0,0,0,0|1,0,2]=4 91 B11R1.12 COC(C#N)c1ccccc1 7a_100011217353_200000210301 [1,0,0,0,0,0|2,0,1]=4 92 B11R1.12 COC(CBr)c1ccccc1 7a_100000185958_200000210301 [1,0,0,0,0,0|2,0,1]=4 93 B11R1.12 COC(CN)c1ccccc1 34a_100000210709_200000210301 [1,0,0,0,0,0|2,0,1]=4 94 B11R1.12 CO[C@H](CCl)c1ccccc1 34a_100011933945_200000210301 [1,0,0,0,0,0|2,0,1]=4 95 B11R1.12 CO[C@H](CCl)c1ccccc1 7a_100011933945_200000210301 [1,0,0,0,0,0|2,0,1]=4 96 B11R1.12 [13CH3]N[C@H](CO)c1ccccc1 2230a_100000751927_200025704644 [1,0,0,0,0,0|1,0,2]=4 97 B11R1.12 [13CH3]N[C@H](CO)c1ccccc1 34a_100000751927_200025704644 [1,0,0,0,0,0|1,0,2]=4 98 B11R1.12 [13CH3]OC(C#N)c1ccccc1 7a_100011217353_200025704644 [1,0,0,0,0,0|2,0,1]=4 99 B11R1.12 [13CH3]OC(CBr)c1ccccc1 7a_100000185958_200025704644 [1,0,0,0,0,0|2,0,1]=4 100 B11R1.12 [13CH3]OC(CN)c1ccccc1 34a_100000210709_200025704644 [1,0,0,0,0,0|2,0,1]=4 101 B11R1.12 [13CH3]O[C@H](CCl)c1ccccc1 34a_100011933945_200025704644 [1,0,0,0,0,0|2,0,1]=4 102 B11R1.12 [13CH3]O[C@H](CCl)c1ccccc1 7a_100011933945_200025704644 [1,0,0,0,0,0|2,0,1]=4 103 B11R1.36 C=C(C(=O)C)c1ccccc1 1458a_100000065200_200000210301 [1,0,0,0,0,0|1,0,2]=4 104 B11R1.36 C=C(C(=O)[13CH3])c1ccccc1 1458a_100000065200_200025704644 [1,0,0,0,0,0|1,0,2]=4 105 B11R1.36 CC(=C(C)c1ccccc1)C 271570a_200000049429_100000210277 [1,0,0,0,0,0|0,0,3]=4 106 B11R1.36 CC(=O)C(C)c1ccccc1 1458a_100000070787_100000230085 [1,0,0,0,0,0|1,0,2]=4 107 B11R1.36 CC(=O)C(F)c1ccccc1 1458a_100000698975_200000210301 [1,0,0,0,0,0|2,0,1]=4 108 B11R1.36 CC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_200000210301 [1,0,0,0,0,0|1,0,2]=4 109 B11R1.36 CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_200000210301 [1,0,0,0,0,0|1,0,2]=4 110 B11R1.36 CC(C)C(=O)c1ccccc1 1458a_100000185807_100000210206 [1,0,0,0,0,0|0,0,1]=2 111 B11R1.36 CC(C)N(C)c1ccccc1 2230a_100000210012_100000210206 [1,0,0,0,0,0|1,0,1]=3 112 B11R1.36 CC(C)N(C)c1ccccc1 2230a_100000210572_200000210301 [1,0,0,0,0,0|1,0,1]=3 113 B11R1.36 CC(C)N(C)c1ccccc1 269982a_100000210012_100000210206 [1,0,0,0,0,0|1,0,1]=3 114 B11R1.36 CC(C)N(C)c1ccccc1 269982a_100000210572_200000210301 [1,0,0,0,0,0|1,0,1]=3 115 B11R1.36 CC(C)N(C)c1ccccc1 34a_100000210012_100000210206 [1,0,0,0,0,0|1,0,1]=3 116 B11R1.36 CC(C)N(C)c1ccccc1 34a_100000210572_200000210301 [1,0,0,0,0,0|1,0,1]=3 117 B11R1.36 CC(C)N(C)c1ccccc1 7a_100000210572_200000210301 [1,0,0,0,0,0|1,0,1]=3 118 B11R1.36 CC(C)N([13CH3])c1ccccc1 2230a_100000210572_200025704644 [1,0,0,0,0,0|1,0,1]=3 119 B11R1.36 CC(C)N([13CH3])c1ccccc1 269982a_100000210572_200025704644 [1,0,0,0,0,0|1,0,1]=3 120 B11R1.36 CC(C)N([13CH3])c1ccccc1 34a_100000210572_200025704644 [1,0,0,0,0,0|1,0,1]=3 121 B11R1.36 CC(C)N([13CH3])c1ccccc1 7a_100000210572_200025704644 [1,0,0,0,0,0|1,0,1]=3 122 B11R1.36 CC(c1ccccc1)N(C)C 2230a_100000195388_200000210301 [1,0,0,0,0,0|1,0,1]=3 123 B11R1.36 CC(c1ccccc1)N(C)C 2230a_100102631434_100000230085 [1,0,0,0,0,0|1,0,1]=3 124 B11R1.36 CC(c1ccccc1)N(C)C 269982a_100000195388_200000210301 [1,0,0,0,0,0|1,0,1]=3 125 B11R1.36 CC(c1ccccc1)N(C)C 269982a_100102631434_100000230085 [1,0,0,0,0,0|1,0,1]=3 126 B11R1.36 CC(c1ccccc1)N(C)[13CH3] 2230a_100000195388_200025704644 [1,0,0,0,0,0|1,0,1]=3 127 B11R1.36 CC(c1ccccc1)N(C)[13CH3] 269982a_100000195388_200025704644 [1,0,0,0,0,0|1,0,1]=3 128 B11R1.36 CC(c1ccccn1)N(C)C 2230a_100000231138_200000210301 [1,0,0,0,0,0|2,0,1]=4 129 B11R1.36 CC(c1ccccn1)N(C)C 269982a_100000231138_200000210301 [1,0,0,0,0,0|2,0,1]=4 130 B11R1.36 CC(c1ccccn1)N(C)[13CH3] 2230a_100000231138_200025704644 [1,0,0,0,0,0|2,0,1]=4 131 B11R1.36 CC(c1ccccn1)N(C)[13CH3] 269982a_100000231138_200025704644 [1,0,0,0,0,0|2,0,1]=4 132 B11R1.36 CC(c1cccnc1)N(C)C 2230a_100000232774_200000210301 [1,0,0,0,0,0|2,0,1]=4 133 B11R1.36 CC(c1cccnc1)N(C)C 269982a_100000232774_200000210301 [1,0,0,0,0,0|2,0,1]=4 134 B11R1.36 CC(c1cccnc1)N(C)[13CH3] 2230a_100000232774_200025704644 [1,0,0,0,0,0|2,0,1]=4 135 B11R1.36 CC(c1cccnc1)N(C)[13CH3] 269982a_100000232774_200025704644 [1,0,0,0,0,0|2,0,1]=4 136 B11R1.36 CC(c1ccncc1)N(C)C 2230a_100000231139_200000210301 [1,0,0,0,0,0|2,0,1]=4 137 B11R1.36 CC(c1ccncc1)N(C)C 269982a_100000231139_200000210301 [1,0,0,0,0,0|2,0,1]=4 138 B11R1.36 CC(c1ccncc1)N(C)[13CH3] 2230a_100000231139_200025704644 [1,0,0,0,0,0|2,0,1]=4 139 B11R1.36 CC(c1ccncc1)N(C)[13CH3] 269982a_100000231139_200025704644 [1,0,0,0,0,0|2,0,1]=4 140 B11R1.36 CN(C)C(=O)c1ccccc1 11a_100102631434_100000185807 [1,0,0,0,0,0|1,0,1]=3 141 B11R1.36 CN(C)C(=O)c1ccccc1 1626a_100102631434_100000185807 [1,0,0,0,0,0|1,0,1]=3 142 B11R1.36 CN(C)C(=O)c1ccccc1 240690a_100102631434_100000185807 [1,0,0,0,0,0|1,0,1]=3 143 B11R1.36 CN(C)C(=O)c1ccccc1 527a_100102631434_100000185807 [1,0,0,0,0,0|1,0,1]=3 144 B11R1.36 C[C@H](C(=O)[13CH3])c1ccccc1 1458a_100000751047_200025704644 [1,0,0,0,0,0|1,0,2]=4 145 B11R1.36 [13CH3]C(=O)C(F)c1ccccc1 1458a_100000698975_200025704644 [1,0,0,0,0,0|2,0,1]=4 146 B11R1.36 [13CH3]C(=O)[C@H](O)c1ccccc1 1458a_100000684486_200025704644 [1,0,0,0,0,0|1,0,2]=4 147 B13R1.405 C#CCN(c1ccccc1)C(C)C 2230a_100000210572_100000038162 [0,1,0,0,0,0|2,0,1]=4 148 B13R1.405 C#CCN(c1ccccc1)C(C)C 34a_100000210572_100000184674 [0,1,0,0,0,0|2,0,1]=4 149 B13R1.405 C#CCN(c1ccccc1)C(C)C 7a_100000210572_100000038162 [0,1,0,0,0,0|2,0,1]=4 150 B13R1.405 C=CCN(c1ccccc1)C(C)C 2230a_100000210572_100000210623 [0,1,0,0,0,0|2,0,0]=3 151 B13R1.405 C=CCN(c1ccccc1)C(C)C 2230a_100000211662_100000210206 [0,1,0,0,0,0|2,0,0]=3 152 B13R1.405 C=CCN(c1ccccc1)C(C)C 269982a_100000210572_100000210623 [0,1,0,0,0,0|2,0,0]=3 153 B13R1.405 C=CCN(c1ccccc1)C(C)C 269982a_100000211662_100000210206 [0,1,0,0,0,0|2,0,0]=3 154 B13R1.405 C=CCN(c1ccccc1)C(C)C 34a_100000210572_100015514636 [0,1,0,0,0,0|2,0,0]=3 155 B13R1.405 C=CCN(c1ccccc1)C(C)C 34a_100000211662_100000210206 [0,1,0,0,0,0|2,0,0]=3 156 B13R1.405 C=CCN(c1ccccc1)C(C)C 7a_100000210572_100015514636 [0,1,0,0,0,0|2,0,0]=3 157 B13R1.405 CC(C)C(OCF)c1ccccc1 34a_200011217822_100015361967 [0,1,0,0,0,0|1,0,1]=3 158 B13R1.405 CC(C)C(OCF)c1ccccc1 7a_200011217822_100015361967 [0,1,0,0,0,0|1,0,1]=3 159 B13R1.405 CC(C)N(CC#N)c1ccccc1 2230a_100000210572_100011215382 [0,1,0,0,0,0|2,0,1]=4 160 B13R1.405 CC(C)N(CC#N)c1ccccc1 269982a_100000210572_100011214920 [0,1,0,0,0,0|2,0,1]=4 161 B13R1.405 CC(C)N(CC#N)c1ccccc1 7a_100000210572_100011215382 [0,1,0,0,0,0|2,0,1]=4 162 B13R1.405 CC(C)N(CC=O)c1ccccc1 2230a_100000210572_200015260668 [0,1,0,0,0,0|1,0,0]=2 163 B13R1.405 CC(C)N(CC=O)c1ccccc1 269982a_100000210572_200015260668 [0,1,0,0,0,0|1,0,0]=2 164 B13R1.405 CC(C)N(CC=O)c1ccccc1 34a_100000210572_200009817547 [0,1,0,0,0,0|1,0,0]=2 165 B13R1.405 CC(C)N(CC=O)c1ccccc1 7a_100000210572_200015260668 [0,1,0,0,0,0|1,0,0]=2 166 B13R1.405 CC(C)N(CCF)c1ccccc1 2230a_100000210572_100011217306 [0,1,0,0,0,0|2,0,1]=4 167 B13R1.405 CC(C)N(CCF)c1ccccc1 269982a_100000210572_100011217306 [0,1,0,0,0,0|2,0,1]=4 168 B13R1.405 CC(C)N(CCF)c1ccccc1 34a_100000210572_100011217306 [0,1,0,0,0,0|2,0,1]=4 169 B13R1.405 CC(C)N(CCF)c1ccccc1 7a_100000210572_100011217306 [0,1,0,0,0,0|2,0,1]=4 170 B13R1.405 CC(C)N(CCO)c1ccccc1 2230a_100000210572_100000211926 [0,1,0,0,0,0|1,0,2]=4 171 B13R1.405 CC(C)N(CCO)c1ccccc1 2230a_100000211345_100000210206 [0,1,0,0,0,0|1,0,2]=4 172 B13R1.405 CC(C)N(CCO)c1ccccc1 269982a_100000210572_100000211926 [0,1,0,0,0,0|1,0,2]=4 173 B13R1.405 CC(C)N(CCO)c1ccccc1 269982a_100000211345_100000210206 [0,1,0,0,0,0|1,0,2]=4 174 B13R1.405 CC(C)N(CCO)c1ccccc1 34a_100000210572_100000211926 [0,1,0,0,0,0|1,0,2]=4 175 B13R1.405 CC(C)N(CCO)c1ccccc1 34a_100000211345_100000210206 [0,1,0,0,0,0|1,0,2]=4 176 B13R1.405 CC(C)N(CCO)c1ccccc1 7a_100000210572_100000211926 [0,1,0,0,0,0|1,0,2]=4 177 B13R1.405 CC(C)[C@H](CN[13CH3])c1ccccc1 2230a_200009885855_200025704644 [0,1,0,0,0,0|1,0,1]=3 178 B13R1.405 CC(C)[C@H](CN[13CH3])c1ccccc1 34a_200009885855_200025704644 [0,1,0,0,0,0|1,0,1]=3 179 B13R1.405 CC(C)[C@H](NCF)c1ccccc1 34a_100015186014_100015361967 [0,1,0,0,0,0|1,0,1]=3 180 B13R1.405 CCCN(c1ccccc1)C(C)C 2230a_100000210572_100000210303 [0,1,0,0,0,0|2,0,1]=4 181 B13R1.405 CCCN(c1ccccc1)C(C)C 2230a_200011218496_100000210206 [0,1,0,0,0,0|2,0,1]=4 182 B13R1.405 CCCN(c1ccccc1)C(C)C 269982a_100000210572_100000210303 [0,1,0,0,0,0|2,0,1]=4 183 B13R1.405 CCCN(c1ccccc1)C(C)C 269982a_200011218496_100000210206 [0,1,0,0,0,0|2,0,1]=4 184 B13R1.405 CCCN(c1ccccc1)C(C)C 34a_100000210572_100000210303 [0,1,0,0,0,0|2,0,1]=4 185 B13R1.405 CCCN(c1ccccc1)C(C)C 34a_200011218496_100000210206 [0,1,0,0,0,0|2,0,1]=4 186 B13R1.405 CCCN(c1ccccc1)C(C)C 7a_100000210572_100000210303 [0,1,0,0,0,0|2,0,1]=4 187 B13R1.405 CCNC(c1ccccn1)C(C)C 2230a_100015183375_100000210202 [0,1,0,0,0,0|2,0,1]=4 188 B13R1.405 CCNC(c1ccccn1)C(C)C 269862a_100015525214_100011350566 [0,1,0,0,0,0|2,0,1]=4 189 B13R1.405 CCNC(c1cccnc1)C(C)C 2230a_100015185317_100000210202 [0,1,0,0,0,0|2,0,1]=4 190 B13R1.405 CCNC(c1ccncc1)C(C)C 2230a_100000755331_100000210202 [0,1,0,0,0,0|2,0,1]=4 191 B13R1.405 CCN[C@@H](c1ccccc1)[C@H](C)O 2230a_100134616770_100000210202 [0,1,0,0,0,0|2,0,1]=4 192 B13R1.405 CCN[C@H](c1ccccc1)C(C)C 2230a_100015186014_100000210202 [0,1,0,0,0,0|1,0,1]=3 193 B13R1.405 CCN[C@H](c1ccccc1)C(C)C 34a_100015186014_100000210202 [0,1,0,0,0,0|1,0,1]=3 194 B13R1.405 CCOC(c1ccccc1)C(C)C 34a_200011217822_100000210202 [0,1,0,0,0,0|1,0,1]=3 195 B13R1.405 CCOC(c1ccccc1)C(C)C 7a_200011217822_100000210202 [0,1,0,0,0,0|1,0,1]=3 196 B13R1.405 CN(C)C(CCCl)c1ccccc1 2230a_100102631434_200010132975 [0,1,0,0,0,0|2,0,1]=4 197 B13R1.405 CN(C)C(CCCl)c1ccccc1 269982a_100102631434_200010132975 [0,1,0,0,0,0|2,0,1]=4 198 B13R1.405 CNC[C@H](c1ccccc1)C(C)C 2230a_200009885855_200000210301 [0,1,0,0,0,0|1,0,1]=3 199 B13R1.405 CNC[C@H](c1ccccc1)C(C)C 34a_200009885855_200000210301 [0,1,0,0,0,0|1,0,1]=3 200 B13R1.405 COCN(c1ccccc1)C(C)C 2230a_100000210572_100000766300 [0,1,0,0,0,0|1,0,2]=4 201 B13R1.405 COCN(c1ccccc1)C(C)C 269982a_100000210572_100000766300 [0,1,0,0,0,0|1,0,2]=4 202 B13R1.405 CSCN(c1ccccc1)C(C)C 2230a_100000210572_100011218213 [0,1,0,0,0,0|1,1,1]=4 203 B13R1.405 CSCN(c1ccccc1)C(C)C 269982a_100000210572_100011218213 [0,1,0,0,0,0|1,1,1]=4 204 B13R1.405 CSCN(c1ccccc1)C(C)C 34a_100000210572_100011218213 [0,1,0,0,0,0|1,1,1]=4 205 B13R1.532 C=CC(c1ccccc1)N(C)CC 2230a_100000225621_200000085779 [0,1,0,0,0,0|2,0,0]=3 206 B13R1.532 C=CC(c1ccccc1)N(C)CC 269982a_100000225621_200000085779 [0,1,0,0,0,0|2,0,0]=3 207 B13R1.532 CCC(C)C(NC)c1ccccc1 2230a_100025702663_200000210301 [0,1,0,0,0,0|2,0,0]=3 208 B13R1.532 CCC(C)C(N[13CH3])c1ccccc1 2230a_100025702663_200025704644 [0,1,0,0,0,0|2,0,0]=3 209 B13R1.532 CCC(C)N(CC)c1ccccc1 2230a_100000210013_100000758301 [0,1,0,0,0,0|2,0,1]=4 210 B13R1.532 CCC(C)N(CC)c1ccccc1 269982a_100000210013_100000758301 [0,1,0,0,0,0|2,0,1]=4 211 B13R1.532 CCC(C)N(CC)c1ccccc1 34a_100000210013_100011215416 [0,1,0,0,0,0|2,0,1]=4 212 B13R1.532 CCC(c1ccccc1)N(C)CC 2230a_100000737450_200000210301 [0,1,0,0,0,0|2,0,1]=4 213 B13R1.532 CCC(c1ccccc1)N(C)CC 2230a_100000737544_100000210202 [0,1,0,0,0,0|2,0,1]=4 214 B13R1.532 CCC(c1ccccc1)N(C)CC 269982a_100000737450_200000210301 [0,1,0,0,0,0|2,0,1]=4 215 B13R1.532 CCC(c1ccccc1)N(C)CC 269982a_100000737544_100000204670 [0,1,0,0,0,0|2,0,1]=4 216 B13R1.532 CCC(c1ccccc1)N(C)CF 269982a_100000737544_100015361967 [0,1,0,0,0,0|2,0,1]=4 217 B13R1.532 CCC(c1ccccc1)N([13CH3])CC 2230a_100000737450_200025704644 [0,1,0,0,0,0|2,0,1]=4 218 B13R1.532 CCC(c1ccccc1)N([13CH3])CC 269982a_100000737450_200025704644 [0,1,0,0,0,0|2,0,1]=4 219 B13R1.532 CCN(c1ccccc1)C(C)CO 2230a_100000210013_100012180447 [0,1,0,0,0,0|2,0,1]=4 220 B13R1.532 CCN(c1ccccc1)C(C)CO 34a_100000210013_100012180447 [0,1,0,0,0,0|2,0,1]=4 221 B13R1.532 CCN(c1ccccc1)C(C)OC 269982a_100000210013_100009879195 [0,1,0,0,0,0|2,0,1]=4 222 B13R1.532 CCN(c1ccccc1)[C@H](C)CO 269982a_100000210013_100016084084 [0,1,0,0,0,0|2,0,1]=4 223 B13R1.706 CC(C)C(C#N)c1ccc(cc1)O 271570a_203496583355_100000698803 [0,1,0,0,0,0|1,0,1]=3 224 B13R1.706 CC(C)C(N[13CH3])c1ccc(cc1)Cl 2230a_100015204473_200025704644 [0,1,0,0,0,0|2,0,0]=3 225 B13R1.706 CC(C)C(N[13CH3])c1ccc(cc1)Cl 34a_100015204473_200025704644 [0,1,0,0,0,0|2,0,0]=3 226 B13R1.706 CC(C)N(CF)c1ccc(cc1)Br 269982a_100000219625_100015361967 [0,1,0,0,0,0|2,0,1]=4 227 B13R1.706 CC(C)N(CF)c1ccc(cc1)Br 34a_100000219625_100015361967 [0,1,0,0,0,0|2,0,1]=4 228 B13R1.706 CC(C)N(CF)c1ccc(cc1)Br 7a_100000219625_100015361967 [0,1,0,0,0,0|2,0,1]=4 229 B13R1.706 CC(C)N(CF)c1ccc(cc1)Cl 269982a_100000749197_100015361967 [0,1,0,0,0,0|2,0,1]=4 230 B13R1.706 CC(C)N(CF)c1ccc(cc1)Cl 34a_100000749197_100015361967 [0,1,0,0,0,0|2,0,1]=4 231 B13R1.706 CC(C)N(CF)c1ccc(cc1)Cl 7a_100000749197_100015361967 [0,1,0,0,0,0|2,0,1]=4 232 B13R1.706 CC(C)N(CF)c1ccc(cc1)F 269982a_100000219830_100015361967 [0,1,0,0,0,0|2,0,1]=4 233 B13R1.706 CC(C)N(CF)c1ccc(cc1)F 34a_100000219830_100015361967 [0,1,0,0,0,0|2,0,1]=4 234 B13R1.706 CC(C)N(CF)c1ccc(cc1)F 7a_100000219830_100015361967 [0,1,0,0,0,0|2,0,1]=4 235 B13R1.706 CC(C)[C@H](N[13CH3])c1ccc(cc1)Br 2230a_100102422763_200025704644 [0,1,0,0,0,0|2,0,0]=3 236 B13R1.706 CC(C)[C@H](N[13CH3])c1ccc(cc1)Br 34a_100102422763_200025704644 [0,1,0,0,0,0|2,0,0]=3 237 B13R1.706 CCC(c1ccc(cc1)Br)N(C)C 2230a_100000231127_200000210301 [0,1,0,0,0,0|2,0,1]=4 238 B13R1.706 CCC(c1ccc(cc1)Br)N(C)C 269982a_100000231127_200000210301 [0,1,0,0,0,0|2,0,1]=4 239 B13R1.706 CCC(c1ccc(cc1)Br)N(C)[13CH3] 2230a_100000231127_200025704644 [0,1,0,0,0,0|2,0,1]=4 240 B13R1.706 CCC(c1ccc(cc1)Br)N(C)[13CH3] 269982a_100000231127_200025704644 [0,1,0,0,0,0|2,0,1]=4 241 B13R1.706 CCN(c1ccc(cc1)Br)C(C)C 2230a_100000219625_100000210202 [0,1,0,0,0,0|2,0,1]=4 242 B13R1.706 CCN(c1ccc(cc1)Br)C(C)C 2230a_100000219632_100000210206 [0,1,0,0,0,0|2,0,1]=4 243 B13R1.706 CCN(c1ccc(cc1)Br)C(C)C 269982a_100000219625_100000204670 [0,1,0,0,0,0|2,0,1]=4 244 B13R1.706 CCN(c1ccc(cc1)Br)C(C)C 269982a_100000219632_100000210206 [0,1,0,0,0,0|2,0,1]=4 245 B13R1.706 CCN(c1ccc(cc1)Br)C(C)C 34a_100000219625_100000210202 [0,1,0,0,0,0|2,0,1]=4 246 B13R1.706 CCN(c1ccc(cc1)Br)C(C)C 34a_100000219632_100000210206 [0,1,0,0,0,0|2,0,1]=4 247 B13R1.706 CCN(c1ccc(cc1)Br)C(C)C 7a_100000219625_100000210202 [0,1,0,0,0,0|2,0,1]=4 248 B13R1.706 CCN(c1ccc(cc1)C)C(C)C 2230a_100000219985_100000210206 [0,1,0,0,0,0|2,0,1]=4 249 B13R1.706 CCN(c1ccc(cc1)C)C(C)C 2230a_100000748792_100000210202 [0,1,0,0,0,0|2,0,1]=4 250 B13R1.706 CCN(c1ccc(cc1)C)C(C)C 269982a_100000219985_100000210206 [0,1,0,0,0,0|2,0,1]=4 251 B13R1.706 CCN(c1ccc(cc1)C)C(C)C 269982a_100000748792_100000204670 [0,1,0,0,0,0|2,0,1]=4 252 B13R1.706 CCN(c1ccc(cc1)C)C(C)C 34a_100000219985_100000210206 [0,1,0,0,0,0|2,0,1]=4 253 B13R1.706 CCN(c1ccc(cc1)C)C(C)C 34a_100000748792_100000210202 [0,1,0,0,0,0|2,0,1]=4 254 B13R1.706 CCN(c1ccc(cc1)C)C(C)C 7a_100000748792_100000210202 [0,1,0,0,0,0|2,0,1]=4 255 B13R1.706 CCN(c1ccc(cc1)Cl)C(C)C 2230a_100000220165_100000210206 [0,1,0,0,0,0|2,0,1]=4 256 B13R1.706 CCN(c1ccc(cc1)Cl)C(C)C 2230a_100000749197_100000210202 [0,1,0,0,0,0|2,0,1]=4 257 B13R1.706 CCN(c1ccc(cc1)Cl)C(C)C 269982a_100000220165_100000210206 [0,1,0,0,0,0|2,0,1]=4 258 B13R1.706 CCN(c1ccc(cc1)Cl)C(C)C 269982a_100000749197_100000204670 [0,1,0,0,0,0|2,0,1]=4 259 B13R1.706 CCN(c1ccc(cc1)Cl)C(C)C 34a_100000220165_100000210206 [0,1,0,0,0,0|2,0,1]=4 260 B13R1.706 CCN(c1ccc(cc1)Cl)C(C)C 34a_100000749197_100000210202 [0,1,0,0,0,0|2,0,1]=4 261 B13R1.706 CCN(c1ccc(cc1)Cl)C(C)C 7a_100000749197_100000210202 [0,1,0,0,0,0|2,0,1]=4 262 B13R1.706 CCN(c1ccc(cc1)F)C(C)C 2230a_100000219830_100000210202 [0,1,0,0,0,0|2,0,1]=4 263 B13R1.706 CCN(c1ccc(cc1)F)C(C)C 2230a_100102640331_100000210206 [0,1,0,0,0,0|2,0,1]=4 264 B13R1.706 CCN(c1ccc(cc1)F)C(C)C 269982a_100000219830_100000204670 [0,1,0,0,0,0|2,0,1]=4 265 B13R1.706 CCN(c1ccc(cc1)F)C(C)C 269982a_100102640331_100000210206 [0,1,0,0,0,0|2,0,1]=4 266 B13R1.706 CCN(c1ccc(cc1)F)C(C)C 34a_100000219830_100000210202 [0,1,0,0,0,0|2,0,1]=4 267 B13R1.706 CCN(c1ccc(cc1)F)C(C)C 34a_100102640331_100000210206 [0,1,0,0,0,0|2,0,1]=4 268 B13R1.706 CCN(c1ccc(cc1)F)C(C)C 7a_100000219830_100000210202 [0,1,0,0,0,0|2,0,1]=4 269 B13R1.706 CCN(c1ccc(cc1)O)C(C)C 2230a_100011337800_100000210206 [0,1,0,0,0,0|2,0,1]=4 270 B13R1.706 CCN(c1ccc(cc1)O)C(C)C 269982a_100011337800_100000210206 [0,1,0,0,0,0|2,0,1]=4 271 B13R1.706 CCN(c1ccc(cc1)O)C(C)C 34a_100011337800_100000210206 [0,1,0,0,0,0|2,0,1]=4 272 B13R1.706 CNC(c1ccc(cc1)Br)C(C)C 269862a_106832991636_100011220430 [0,1,0,0,0,0|2,0,0]=3 273 B13R1.706 CNC(c1ccc(cc1)Cl)C(C)C 2230a_100015204473_200000210301 [0,1,0,0,0,0|2,0,0]=3 274 B13R1.706 CNC(c1ccc(cc1)Cl)C(C)C 269862a_106832991636_100000742363 [0,1,0,0,0,0|2,0,0]=3 275 B13R1.706 CNC(c1ccc(cc1)Cl)C(C)C 34a_100015204473_200000210301 [0,1,0,0,0,0|2,0,0]=3 276 B13R1.706 CNC(c1ccc(cc1)F)C(C)C 269862a_106832991636_100011218555 [0,1,0,0,0,0|2,0,0]=3 277 B13R1.706 CN[C@H](c1ccc(cc1)Br)C(C)C 2230a_100102422763_200000210301 [0,1,0,0,0,0|2,0,0]=3 278 B13R1.706 CN[C@H](c1ccc(cc1)Br)C(C)C 34a_100102422763_200000210301 [0,1,0,0,0,0|2,0,0]=3 279 B13R1.706 CN[C@H](c1ccc(cc1)C)C(C)C 2230a_100020633675_200000210301 [0,1,0,0,0,0|2,0,0]=3 280 B13R1.706 CN[C@H](c1ccc(cc1)C)C(C)C 34a_100020633675_200000210301 [0,1,0,0,0,0|2,0,0]=3 281 B13R1.706 CO[C@@H](c1ccc(cc1)Cl)[C@@H](C)N 34a_200009830414_200000210301 [0,1,0,0,0,0|3,0,0]=4 282 B13R1.706 C[C@@H](N)[C@@H](O[13CH3])c1ccc(cc1)Cl 34a_200009830414_200025704644 [0,1,0,0,0,0|3,0,0]=4 283 B13R1.706 Cc1ccc(cc1)N(CF)C(C)C 269982a_100000748792_100015361967 [0,1,0,0,0,0|2,0,1]=4 284 B13R1.706 Cc1ccc(cc1)N(CF)C(C)C 34a_100000748792_100015361967 [0,1,0,0,0,0|2,0,1]=4 285 B13R1.706 Cc1ccc(cc1)N(CF)C(C)C 7a_100000748792_100015361967 [0,1,0,0,0,0|2,0,1]=4 286 B13R1.706 Cc1ccc(cc1)[C@@H](N[13CH3])C(C)C 2230a_100020633675_200025704644 [0,1,0,0,0,0|2,0,0]=3 287 B13R1.706 Cc1ccc(cc1)[C@@H](N[13CH3])C(C)C 34a_100020633675_200025704644 [0,1,0,0,0,0|2,0,0]=3 288 B13R1.716 CC(C)N(CF)c1cccc(c1)Br 269982a_100000219649_100015361967 [0,1,0,0,0,0|2,0,1]=4 289 B13R1.716 CC(C)N(CF)c1cccc(c1)Br 34a_100000219649_100015361967 [0,1,0,0,0,0|2,0,1]=4 290 B13R1.716 CC(C)N(CF)c1cccc(c1)Br 7a_100000219649_100015361967 [0,1,0,0,0,0|2,0,1]=4 291 B13R1.716 CC(C)N(CF)c1cccc(c1)F 269982a_100000220071_100015361967 [0,1,0,0,0,0|2,0,1]=4 292 B13R1.716 CC(C)N(CF)c1cccc(c1)F 34a_100000220071_100015361967 [0,1,0,0,0,0|2,0,1]=4 293 B13R1.716 CC(C)N(CF)c1cccc(c1)F 7a_100000220071_100015361967 [0,1,0,0,0,0|2,0,1]=4 294 B13R1.716 CC(C)[C@@H](N[13CH3])c1cccc(c1)Cl 2230a_100009818290_200025704644 [0,1,0,0,0,0|2,0,0]=3 295 B13R1.716 CC(C)[C@@H](N[13CH3])c1cccc(c1)Cl 34a_100009818290_200025704644 [0,1,0,0,0,0|2,0,0]=3 296 B13R1.716 CCN(c1cccc(c1)Br)C(C)C 2230a_100000738899_100000210206 [0,1,0,0,0,0|2,0,1]=4 297 B13R1.716 CCN(c1cccc(c1)Br)C(C)C 269982a_100000219649_100000204670 [0,1,0,0,0,0|2,0,1]=4 298 B13R1.716 CCN(c1cccc(c1)Br)C(C)C 269982a_100000738899_100000210206 [0,1,0,0,0,0|2,0,1]=4 299 B13R1.716 CCN(c1cccc(c1)Br)C(C)C 34a_100000219649_100000210202 [0,1,0,0,0,0|2,0,1]=4 300 B13R1.716 CCN(c1cccc(c1)Br)C(C)C 34a_100000738899_100000210206 [0,1,0,0,0,0|2,0,1]=4 301 B13R1.716 CCN(c1cccc(c1)Br)C(C)C 7a_100000219649_100000210202 [0,1,0,0,0,0|2,0,1]=4 302 B13R1.716 CCN(c1cccc(c1)C)C(C)C 2230a_100000182157_100000210206 [0,1,0,0,0,0|2,0,1]=4 303 B13R1.716 CCN(c1cccc(c1)C)C(C)C 269982a_100000182157_100000210206 [0,1,0,0,0,0|2,0,1]=4 304 B13R1.716 CCN(c1cccc(c1)C)C(C)C 34a_100000182157_100000210206 [0,1,0,0,0,0|2,0,1]=4 305 B13R1.716 CCN(c1cccc(c1)C)C(C)C 7a_100000182157_100000210206 [0,1,0,0,0,0|2,0,1]=4 306 B13R1.716 CCN(c1cccc(c1)F)C(C)C 2230a_100000220071_100000210202 [0,1,0,0,0,0|2,0,1]=4 307 B13R1.716 CCN(c1cccc(c1)F)C(C)C 269982a_100000220071_100000204670 [0,1,0,0,0,0|2,0,1]=4 308 B13R1.716 CCN(c1cccc(c1)F)C(C)C 34a_100000220071_100000210202 [0,1,0,0,0,0|2,0,1]=4 309 B13R1.716 CCN(c1cccc(c1)F)C(C)C 7a_100000220071_100000210202 [0,1,0,0,0,0|2,0,1]=4 310 B13R1.716 CCN(c1cccc(c1)O)C(C)C 2230a_100000717746_100000210206 [0,1,0,0,0,0|2,0,1]=4 311 B13R1.716 CCN(c1cccc(c1)O)C(C)C 269982a_100000717746_100000210206 [0,1,0,0,0,0|2,0,1]=4 312 B13R1.716 CCN(c1cccc(c1)O)C(C)C 34a_100000717746_100000210206 [0,1,0,0,0,0|2,0,1]=4 313 B13R1.716 CNC(c1cccc(c1)Br)C(C)C 269862a_106832991636_100011350656 [0,1,0,0,0,0|2,0,0]=3 314 B13R1.716 CN[C@@H](c1cccc(c1)Cl)C(C)C 2230a_100009818290_200000210301 [0,1,0,0,0,0|2,0,0]=3 315 B13R1.716 CN[C@@H](c1cccc(c1)Cl)C(C)C 34a_100009818290_200000210301 [0,1,0,0,0,0|2,0,0]=3 316 B13R1.719 CC(C)(C)C(N[13CH3])c1ccccc1 2230a_100000738585_200025704644 [0,1,0,0,0,0|2,0,0]=3 317 B13R1.719 CCN(c1ccccc1)C(C)(C)C 269982a_100000210013_100000210625 [0,1,0,0,0,0|2,0,1]=4 318 B13R1.719 CCN(c1ccccc1)C(C)(C)C 34a_100000210013_100000210625 [0,1,0,0,0,0|2,0,1]=4 319 B13R1.719 CNC(c1ccccc1)C(C)(C)C 2230a_100000738585_200000210301 [0,1,0,0,0,0|2,0,0]=3 320 B13R1.719 CNC(c1ccccc1)C(C)(C)O 269862a_106832991636_100011217161 [0,1,0,0,0,0|2,0,0]=3 321 B13R1.720 CC(C)N(CF)c1ccccc1Br 269982a_100000219599_100015361967 [0,1,0,0,0,0|2,0,1]=4 322 B13R1.720 CC(C)N(CF)c1ccccc1Br 34a_100000219599_100015361967 [0,1,0,0,0,0|2,0,1]=4 323 B13R1.720 CC(C)N(CF)c1ccccc1Br 7a_100000219599_100015361967 [0,1,0,0,0,0|2,0,1]=4 324 B13R1.720 CC(C)N(CF)c1ccccc1Cl 269982a_100000219376_100015361967 [0,1,0,0,0,0|2,0,1]=4 325 B13R1.720 CC(C)N(CF)c1ccccc1Cl 34a_100000219376_100015361967 [0,1,0,0,0,0|2,0,1]=4 326 B13R1.720 CC(C)N(CF)c1ccccc1Cl 7a_100000219376_100015361967 [0,1,0,0,0,0|2,0,1]=4 327 B13R1.720 CC(C)N(CF)c1ccccc1F 269982a_100000220358_100015361967 [0,1,0,0,0,0|2,0,1]=4 328 B13R1.720 CC(C)N(CF)c1ccccc1F 34a_100000220358_100015361967 [0,1,0,0,0,0|2,0,1]=4 329 B13R1.720 CC(C)N(CF)c1ccccc1F 38a_100000220358_100015361967 [0,1,0,0,0,0|2,0,1]=4 330 B13R1.720 CC(C)N(CF)c1ccccc1F 7a_100000220358_100015361967 [0,1,0,0,0,0|2,0,1]=4 331 B13R1.720 CCN(c1ccccc1Br)C(C)C 2230a_114873767003_100000210206 [0,1,0,0,0,0|2,0,1]=4 332 B13R1.720 CCN(c1ccccc1Br)C(C)C 269982a_100000219599_100000204670 [0,1,0,0,0,0|2,0,1]=4 333 B13R1.720 CCN(c1ccccc1Br)C(C)C 269982a_114873767003_100000210206 [0,1,0,0,0,0|2,0,1]=4 334 B13R1.720 CCN(c1ccccc1Br)C(C)C 34a_100000219599_100000210202 [0,1,0,0,0,0|2,0,1]=4 335 B13R1.720 CCN(c1ccccc1Br)C(C)C 34a_114873767003_100000210206 [0,1,0,0,0,0|2,0,1]=4 336 B13R1.720 CCN(c1ccccc1Br)C(C)C 7a_100000219599_100000210202 [0,1,0,0,0,0|2,0,1]=4 337 B13R1.720 CCN(c1ccccc1C)C(C)C 2230a_100000211084_100000210206 [0,1,0,0,0,0|2,0,1]=4 338 B13R1.720 CCN(c1ccccc1C)C(C)C 2230a_100000219700_100000210202 [0,1,0,0,0,0|2,0,1]=4 339 B13R1.720 CCN(c1ccccc1C)C(C)C 269982a_100000211084_100000210206 [0,1,0,0,0,0|2,0,1]=4 340 B13R1.720 CCN(c1ccccc1C)C(C)C 269982a_100000219700_100000204670 [0,1,0,0,0,0|2,0,1]=4 341 B13R1.720 CCN(c1ccccc1C)C(C)C 34a_100000211084_100000210206 [0,1,0,0,0,0|2,0,1]=4 342 B13R1.720 CCN(c1ccccc1C)C(C)C 34a_100000219700_100000210202 [0,1,0,0,0,0|2,0,1]=4 343 B13R1.720 CCN(c1ccccc1C)C(C)C 7a_100000219700_100000210202 [0,1,0,0,0,0|2,0,1]=4 344 B13R1.720 CCN(c1ccccc1Cl)C(C)C 269982a_100000219376_100000204670 [0,1,0,0,0,0|2,0,1]=4 345 B13R1.720 CCN(c1ccccc1Cl)C(C)C 34a_100000219376_100000210202 [0,1,0,0,0,0|2,0,1]=4 346 B13R1.720 CCN(c1ccccc1Cl)C(C)C 7a_100000219376_100000210202 [0,1,0,0,0,0|2,0,1]=4 347 B13R1.720 CCN(c1ccccc1F)C(C)C 2230a_100000220365_100000210206 [0,1,0,0,0,0|2,0,1]=4 348 B13R1.720 CCN(c1ccccc1F)C(C)C 269982a_100000220358_100000204670 [0,1,0,0,0,0|2,0,1]=4 349 B13R1.720 CCN(c1ccccc1F)C(C)C 269982a_100000220365_100000210206 [0,1,0,0,0,0|2,0,1]=4 350 B13R1.720 CCN(c1ccccc1F)C(C)C 34a_100000220358_100000210202 [0,1,0,0,0,0|2,0,1]=4 351 B13R1.720 CCN(c1ccccc1F)C(C)C 34a_100000220365_100000210206 [0,1,0,0,0,0|2,0,1]=4 352 B13R1.720 CCN(c1ccccc1F)C(C)C 38a_100000220358_100000204670 [0,1,0,0,0,0|2,0,1]=4 353 B13R1.720 CCN(c1ccccc1F)C(C)C 7a_100000220358_100000210202 [0,1,0,0,0,0|2,0,1]=4 354 B13R1.720 CCN(c1ccccc1O)C(C)C 269982a_103624766699_100000210206 [0,1,0,0,0,0|2,0,1]=4 355 B13R1.720 Cc1ccccc1N(CF)C(C)C 269982a_100000219700_100015361967 [0,1,0,0,0,0|2,0,1]=4 356 B13R1.720 Cc1ccccc1N(CF)C(C)C 34a_100000219700_100015361967 [0,1,0,0,0,0|2,0,1]=4 357 B13R1.720 Cc1ccccc1N(CF)C(C)C 7a_100000219700_100015361967 [0,1,0,0,0,0|2,0,1]=4 358 B13R1.1111 CC(=O)C(C(=O)C)c1ccccc1 1458a_100000070787_100009888967 [0,1,0,0,0,0|1,0,1]=3 359 B13R1.1111 CC(=O)C(C(=O)N)c1ccccc1 1458a_100000070787_100000188848 [0,1,0,0,0,0|1,0,1]=3 360 B13R1.1111 CC(=O)C(c1ccccc1)C(C)C 1458a_100000764467_200000210301 [0,1,0,0,0,0|0,0,0]=1 361 B13R1.1111 CC(=O)C(c1ccccc1)N(C)C 1458a_100000743987_200000210301 [0,1,0,0,0,0|1,0,0]=2 362 B13R1.1111 CC(=O)C(c1ccccc1)N(C)C 2230a_100102631434_100009888967 [0,1,0,0,0,0|1,0,0]=2 363 B13R1.1111 CC(=O)C(c1ccccc1)N(C)C 269982a_100102631434_100009888967 [0,1,0,0,0,0|1,0,0]=2 364 B13R1.1111 CC(=O)N(c1ccccc1)C(C)C 11a_100000210572_100015343762 [0,1,0,0,0,0|1,0,0]=2 365 B13R1.1111 CC(=O)N(c1ccccc1)C(C)C 1626a_100000210572_100015343762 [0,1,0,0,0,0|1,0,0]=2 366 B13R1.1111 CC(C)C(C(=O)[13CH3])c1ccccc1 1458a_100000764467_200025704644 [0,1,0,0,0,0|0,0,0]=1 367 B13R1.1111 CC(C)C(c1ccccc1)N(C)C 2230a_100000233099_200000210301 [0,1,0,0,0,0|2,0,0]=3 368 B13R1.1111 CC(C)C(c1ccccc1)N(C)C 269982a_100000233099_200000210301 [0,1,0,0,0,0|2,0,0]=3 369 B13R1.1111 CC(C)C(c1ccccc1)N(C)[13CH3] 2230a_100000233099_200025704644 [0,1,0,0,0,0|2,0,0]=3 370 B13R1.1111 CC(C)C(c1ccccc1)N(C)[13CH3] 269982a_100000233099_200025704644 [0,1,0,0,0,0|2,0,0]=3 371 B13R1.1111 CC(C)N(c1ccccc1)C(C)C 2230a_100000210572_100000210206 [0,1,0,0,0,0|2,0,1]=4 372 B13R1.1111 CC(C)N(c1ccccc1)C(C)C 269982a_100000210572_100000210206 [0,1,0,0,0,0|2,0,1]=4 373 B13R1.1111 CC(C)N(c1ccccc1)C(C)C 34a_100000210572_100000210206 [0,1,0,0,0,0|2,0,1]=4 374 B13R1.1111 CC(C)N(c1ccccc1)C(C)C 7a_100000210572_100000210206 [0,1,0,0,0,0|2,0,1]=4 375 B13R1.1111 CN(C)C(C(=O)N)c1ccccc1 2230a_100102631434_100000188848 [0,1,0,0,0,0|1,0,0]=2 376 B13R1.1111 CN(C)C(C(=O)N)c1ccccc1 269982a_100102631434_100000188848 [0,1,0,0,0,0|1,0,0]=2 377 B13R1.1111 CN(C)C(C(=O)[13CH3])c1ccccc1 1458a_100000743987_200025704644 [0,1,0,0,0,0|1,0,0]=2 378 B13R2.15 CN1CCCC1c2ccccc2 2230a_100000243309_200000210301 [0,0,0,1,0,0|2,0,1]=4 379 B13R2.15 CN1CCCC1c2ccccc2 269982a_100000243309_200000210301 [0,0,0,1,0,0|2,0,1]=4 380 B13R2.15 CN1CCCC1c2ccccc2 34a_100000243309_200000210301 [0,0,0,1,0,0|2,0,1]=4 381 B13R2.15 CN1CCSC1c2ccccc2 2230a_100000215944_200000210301 [0,0,0,1,0,0|3,0,0]=4 382 B13R2.15 CN1CCSC1c2ccccc2 269982a_100000215944_200000210301 [0,0,0,1,0,0|3,0,0]=4 383 B13R2.15 CN1CCSC1c2ccccc2 34a_100000215944_200000210301 [0,0,0,1,0,0|3,0,0]=4 384 B13R2.15 CN1CCSC1c2ccccc2 7a_100000215944_200000210301 [0,0,0,1,0,0|3,0,0]=4 385 B13R2.15 [13CH3]N1CCCC1c2ccccc2 2230a_100000243309_200025704644 [0,0,0,1,0,0|2,0,1]=4 386 B13R2.15 [13CH3]N1CCCC1c2ccccc2 269982a_100000243309_200025704644 [0,0,0,1,0,0|2,0,1]=4 387 B13R2.15 [13CH3]N1CCCC1c2ccccc2 34a_100000243309_200025704644 [0,0,0,1,0,0|2,0,1]=4 388 B13R2.15 [13CH3]N1CCSC1c2ccccc2 2230a_100000215944_200025704644 [0,0,0,1,0,0|3,0,0]=4 389 B13R2.15 [13CH3]N1CCSC1c2ccccc2 269982a_100000215944_200025704644 [0,0,0,1,0,0|3,0,0]=4 390 B13R2.15 [13CH3]N1CCSC1c2ccccc2 34a_100000215944_200025704644 [0,0,0,1,0,0|3,0,0]=4 391 B13R2.15 [13CH3]N1CCSC1c2ccccc2 7a_100000215944_200025704644 [0,0,0,1,0,0|3,0,0]=4 392 B13R2.72 CC(=O)C1C=Cc2c1cccc2 1458a_200009832160_200000210301 [0,0,0,1,0,0|2,0,1]=4 393 B13R2.72 CN(C)C1CCc2c1cccc2 2230a_100102631434_200000721974 [0,0,0,1,0,0|2,0,1]=4 394 B13R2.72 CN(C)C1CCc2c1cccc2 269982a_100102631434_200000721974 [0,0,0,1,0,0|2,0,1]=4 395 B13R2.72 [13CH3]C(=O)C1C=Cc2c1cccc2 1458a_200009832160_200025704644 [0,0,0,1,0,0|2,0,1]=4 396 B13R2.135 CN[C@H]1c2ccccc2C[C@H]1O 2230a_100000744645_200000210301 [0,0,0,1,0,0|3,0,0]=4 397 B13R2.135 [13CH3]N[C@H]1c2ccccc2C[C@H]1O 2230a_100000744645_200025704644 [0,0,0,1,0,0|3,0,0]=4 398 B13R2.679 CCN(c1ccccc1)C2CC2 269982a_100000210013_100000211595 [0,0,0,1,0,0|2,0,1]=4 399 B13R2.679 CCN(c1ccccc1)C2CC2 34a_100000210013_100000211595 [0,0,0,1,0,0|2,0,1]=4 400 B13R2.679 CNC(c1ccccc1)C2CC2 2230a_100000735078_200000210301 [0,0,0,1,0,0|2,0,0]=3 401 B13R2.679 CNC(c1ccccc1)C2CC2 269862a_106832991636_100011218604 [0,0,0,1,0,0|2,0,0]=3 402 B13R2.679 CNC(c1ccccc1)C2CC2 34a_100000735078_200000210301 [0,0,0,1,0,0|2,0,0]=3 403 B13R2.679 CNC(c1ccccn1)C2CC2 2230a_100000238667_200000210301 [0,0,0,1,0,0|3,0,0]=4 404 B13R2.679 CNC(c1ccccn1)C2CC2 269862a_106832991636_114849113519 [0,0,0,1,0,0|3,0,0]=4 405 B13R2.679 CNC(c1ccccn1)C2CC2 34a_100000238667_200000210301 [0,0,0,1,0,0|3,0,0]=4 406 B13R2.679 CNC(c1cccnc1)C2CC2 2230a_100000238668_200000210301 [0,0,0,1,0,0|3,0,0]=4 407 B13R2.679 CNC(c1cccnc1)C2CC2 269862a_106832991636_100011376195 [0,0,0,1,0,0|3,0,0]=4 408 B13R2.679 CNC(c1ccncc1)C2CC2 2230a_100012004521_200000210301 [0,0,0,1,0,0|3,0,0]=4 409 B13R2.679 CNC(c1ccncc1)C2CC2 269862a_106832991636_200012087086 [0,0,0,1,0,0|3,0,0]=4 410 B13R2.679 COC(c1ccccc1)C2CC2 34a_100011215866_200000210301 [0,0,0,1,0,0|2,0,0]=3 411 B13R2.679 COC(c1ccccc1)C2CC2 7a_100011215866_200000210301 [0,0,0,1,0,0|2,0,0]=3 412 B13R2.679 COC(c1cccnc1)C2CC2 34a_100011376212_200000210301 [0,0,0,1,0,0|3,0,0]=4 413 B13R2.679 COC(c1cccnc1)C2CC2 7a_100011376212_200000210301 [0,0,0,1,0,0|3,0,0]=4 414 B13R2.679 [13CH3]NC(c1ccccc1)C2CC2 2230a_100000735078_200025704644 [0,0,0,1,0,0|2,0,0]=3 415 B13R2.679 [13CH3]NC(c1ccccc1)C2CC2 34a_100000735078_200025704644 [0,0,0,1,0,0|2,0,0]=3 416 B13R2.679 [13CH3]NC(c1ccccn1)C2CC2 2230a_100000238667_200025704644 [0,0,0,1,0,0|3,0,0]=4 417 B13R2.679 [13CH3]NC(c1ccccn1)C2CC2 34a_100000238667_200025704644 [0,0,0,1,0,0|3,0,0]=4 418 B13R2.679 [13CH3]NC(c1cccnc1)C2CC2 2230a_100000238668_200025704644 [0,0,0,1,0,0|3,0,0]=4 419 B13R2.679 [13CH3]NC(c1ccncc1)C2CC2 2230a_100012004521_200025704644 [0,0,0,1,0,0|3,0,0]=4 420 B13R2.679 [13CH3]OC(c1ccccc1)C2CC2 34a_100011215866_200025704644 [0,0,0,1,0,0|2,0,0]=3 421 B13R2.679 [13CH3]OC(c1ccccc1)C2CC2 7a_100011215866_200025704644 [0,0,0,1,0,0|2,0,0]=3 422 B13R2.679 [13CH3]OC(c1cccnc1)C2CC2 34a_100011376212_200025704644 [0,0,0,1,0,0|3,0,0]=4 423 B13R2.679 [13CH3]OC(c1cccnc1)C2CC2 7a_100011376212_200025704644 [0,0,0,1,0,0|3,0,0]=4 424 B13R1.418 CC(C)N(CF)Cc1ccccc1 269982a_100000068392_100015361967 [0,0,0,0,0,1|2,0,1]=4 425 B13R1.418 CCC(Cc1ccccc1)N(C)C 270004a_100102631434_100000212045 [0,0,0,0,0,1|2,0,1]=4 426 B13R1.418 CCN(Cc1ccccc1)C(C)C 2230a_100000068392_100000210202 [0,0,0,0,0,1|2,0,1]=4 427 B13R1.418 CCN(Cc1ccccc1)C(C)C 2230a_100000186914_100000210206 [0,0,0,0,0,1|2,0,1]=4 428 B13R1.418 CCN(Cc1ccccc1)C(C)C 2230a_100000223864_100015291786 [0,0,0,0,0,1|2,0,1]=4 429 B13R1.418 CCN(Cc1ccccc1)C(C)C 269982a_100000068392_100000204670 [0,0,0,0,0,1|2,0,1]=4 430 B13R1.418 CCN(Cc1ccccc1)C(C)C 269982a_100000186914_100000210206 [0,0,0,0,0,1|2,0,1]=4 431 B13R1.418 CCN(Cc1ccccc1)C(C)C 269982a_100000223864_100000211182 [0,0,0,0,0,1|2,0,1]=4 432 B13R1.418 CCN(Cc1ccccc1)C(C)C 270004a_100000223864_100015611070 [0,0,0,0,0,1|2,0,1]=4 433 B13R1.418 CN(C)[C@H](CO)Cc1ccccc1 2230a_100016995599_200000210301 [0,0,0,0,0,1|1,0,2]=4 434 B13R1.418 CN(C)[C@H](CO)Cc1ccccc1 269982a_100016995599_200000210301 [0,0,0,0,0,1|1,0,2]=4 435 B13R1.418 CN([13CH3])[C@H](CO)Cc1ccccc1 2230a_100016995599_200025704644 [0,0,0,0,0,1|1,0,2]=4 436 B13R1.418 CN([13CH3])[C@H](CO)Cc1ccccc1 269982a_100016995599_200025704644 [0,0,0,0,0,1|1,0,2]=4 437 B13R1.418 CNC(Cc1ccccc1)C(C)C 270004a_106832991635_200000703227 [0,0,0,0,0,1|2,0,0]=3 438 B13R1.713 C#CC(OC(C)C)c1ccccc1 34a_100011219616_100000210206 [0,0,0,0,0,1|1,0,1]=3 439 B13R1.713 C#CC(OC(C)C)c1ccccc1 7a_100011219616_100000210206 [0,0,0,0,0,1|1,0,1]=3 440 B13R1.713 C=CC(NC(C)C)c1ccccc1 2230a_100138425928_200000085779 [0,0,0,0,0,1|1,0,0]=2 441 B13R1.713 C=CC(OC(C)C)c1ccccc1 34a_100011215659_100000210206 [0,0,0,0,0,1|1,0,0]=2 442 B13R1.713 C=CC(OC(C)C)c1ccccc1 7a_100011215659_100000210206 [0,0,0,0,0,1|1,0,0]=2 443 B13R1.713 C=CC(SC(C)C)c1ccccc1 62a_100000210206_200000085779 [0,0,0,0,0,1|1,0,0]=2 444 B13R1.713 C=CC(SC(C)C)c1ccccc1 62a_200000085779_100000210206 [0,0,0,0,0,1|1,0,0]=2 445 B13R1.713 CC(C)CC(N[13CH3])c1ccccn1 2230a_100159271263_200025704644 [0,0,0,0,0,1|3,0,0]=4 446 B13R1.713 CC(C)CC(N[13CH3])c1cccnc1 2230a_200011351310_200025704644 [0,0,0,0,0,1|3,0,0]=4 447 B13R1.713 CC(C)C[C@H](N[13CH3])c1ccccc1 2230a_100016987908_200025704644 [0,0,0,0,0,1|2,0,0]=3 448 B13R1.713 CC(C)NC(CO)c1ccccn1 2230a_100015196888_100000210206 [0,0,0,0,0,1|1,0,2]=4 449 B13R1.713 CC(C)N[C@H](CO)c1ccccc1 2230a_100000751927_100000210206 [0,0,0,0,0,1|0,0,2]=3 450 B13R1.713 CC(C)N[C@H](CO)c1ccccc1 34a_100000751927_100000210206 [0,0,0,0,0,1|0,0,2]=3 451 B13R1.713 CC(C)N[C@H](CO)c1ccncc1 2230a_100138412524_100000210206 [0,0,0,0,0,1|1,0,2]=4 452 B13R1.713 CC(C)OC(C#N)c1ccccc1 7a_100011217353_100000210206 [0,0,0,0,0,1|1,0,1]=3 453 B13R1.713 CC(C)OC(CBr)c1ccccc1 7a_100000185958_100000210206 [0,0,0,0,0,1|1,0,1]=3 454 B13R1.713 CC(C)OC(CN)c1ccccc1 34a_100000210709_100000210206 [0,0,0,0,0,1|1,0,1]=3 455 B13R1.713 CC(C)O[C@H](CCl)c1ccccc1 34a_100011933945_100000210206 [0,0,0,0,0,1|1,0,1]=3 456 B13R1.713 CC(C)O[C@H](CCl)c1ccccc1 7a_100011933945_100000210206 [0,0,0,0,0,1|1,0,1]=3 457 B13R1.713 CCC(CN(C)C)c1ccccc1 270004a_100102631434_100000753018 [0,0,0,0,0,1|2,0,1]=4 458 B13R1.713 CCC(NC(C)C)c1ccccc1 2230a_100000737752_100000210206 [0,0,0,0,0,1|1,0,1]=3 459 B13R1.713 CCC(NC(C)C)c1ccccn1 2230a_100015186561_100000210206 [0,0,0,0,0,1|2,0,1]=4 460 B13R1.713 CCC(NC(C)C)c1cccnc1 2230a_100000246009_100000210206 [0,0,0,0,0,1|2,0,1]=4 461 B13R1.713 CCC(OC(C)C)c1ccccc1 34a_100000698172_100000210206 [0,0,0,0,0,1|1,0,1]=3 462 B13R1.713 CCC(OC(C)C)c1ccccc1 7a_100000698172_100000210206 [0,0,0,0,0,1|1,0,1]=3 463 B13R1.713 CCN(CC(C)C)c1ccccc1 2230a_100000210013_100000210760 [0,0,0,0,0,1|2,0,1]=4 464 B13R1.713 CCN(CC(C)C)c1ccccc1 269982a_100000210013_100000210624 [0,0,0,0,0,1|2,0,1]=4 465 B13R1.713 CCN(CC(C)C)c1ccccc1 34a_100000210013_100000210624 [0,0,0,0,0,1|2,0,1]=4 466 B13R1.713 CNC(CC(C)C)c1ccccc1 269862a_106832991636_100000211545 [0,0,0,0,0,1|2,0,0]=3 467 B13R1.713 CNC(CC(C)C)c1ccccn1 2230a_100159271263_200000210301 [0,0,0,0,0,1|3,0,0]=4 468 B13R1.713 CNC(CC(C)C)c1ccccn1 269862a_106832991636_100000685706 [0,0,0,0,0,1|3,0,0]=4 469 B13R1.713 CNC(CC(C)C)c1cccnc1 2230a_200011351310_200000210301 [0,0,0,0,0,1|3,0,0]=4 470 B13R1.713 CNC(CC(C)C)c1cccnc1 269862a_106832991636_100011350585 [0,0,0,0,0,1|3,0,0]=4 471 B13R1.713 CN[C@@H](CC(C)C)c1ccccc1 2230a_100016987908_200000210301 [0,0,0,0,0,1|2,0,0]=3 472 B10R1.15 CC(S[13CH3])c1ccccc1 62a_100000230085_200025704644 [2,0,0,0,0,0|1,0,1]=4 473 B10R1.15 CC(S[13CH3])c1ccccc1 62a_200025704644_100000230085 [2,0,0,0,0,0|1,0,1]=4 474 B10R1.15 CCC(=O)c1ccccc1 1458a_100000185807_100000210202 [2,0,0,0,0,0|0,0,1]=3 475 B10R1.15 CCN(C)c1ccccc1 2230a_100000210012_100000210202 [2,0,0,0,0,0|1,0,1]=4 476 B10R1.15 CCN(C)c1ccccc1 2230a_100000210013_200000210301 [2,0,0,0,0,0|1,0,1]=4 477 B10R1.15 CCN(C)c1ccccc1 269982a_100000210012_100000204670 [2,0,0,0,0,0|1,0,1]=4 478 B10R1.15 CCN(C)c1ccccc1 269982a_100000210013_200000210301 [2,0,0,0,0,0|1,0,1]=4 479 B10R1.15 CCN(C)c1ccccc1 34a_100000210012_100000210202 [2,0,0,0,0,0|1,0,1]=4 480 B10R1.15 CCN(C)c1ccccc1 34a_100000210013_200000210301 [2,0,0,0,0,0|1,0,1]=4 481 B10R1.15 CCN([13CH3])c1ccccc1 2230a_100000210013_200025704644 [2,0,0,0,0,0|1,0,1]=4 482 B10R1.15 CCN([13CH3])c1ccccc1 269982a_100000210013_200025704644 [2,0,0,0,0,0|1,0,1]=4 483 B10R1.15 CCN([13CH3])c1ccccc1 34a_100000210013_200025704644 [2,0,0,0,0,0|1,0,1]=4 484 B10R1.15 CNC(=O)c1ccccc1 11a_106832991635_100000185807 [2,0,0,0,0,0|1,0,1]=4 485 B10R1.15 CNC(=O)c1ccccc1 1626a_100102657272_100000185807 [2,0,0,0,0,0|1,0,1]=4 486 B10R1.15 CNC(=O)c1ccccc1 240690a_100102657272_100000185807 [2,0,0,0,0,0|1,0,1]=4 487 B10R1.15 CNC(=O)c1ccccc1 527a_100102657272_100000185807 [2,0,0,0,0,0|1,0,1]=4 488 B10R1.15 CNC(C)c1ccccc1 2230a_106832991635_100000230085 [2,0,0,0,0,0|1,0,1]=4 489 B10R1.15 CNC(C)c1ccccc1 269862a_106832991636_100000185851 [2,0,0,0,0,0|1,0,1]=4 490 B10R1.15 CNC(C)c1ccccc1 34a_100102657272_100000211855 [2,0,0,0,0,0|1,0,1]=4 491 B10R1.15 CNC(C)c1ccccc1 7a_106832991635_100000230085 [2,0,0,0,0,0|1,0,1]=4 492 B10R1.15 CN[C@H](C)c1ccccc1 2230a_100000751104_200000210301 [2,0,0,0,0,0|1,0,1]=4 493 B10R1.15 COC(C)c1ccccc1 34a_100138415774_100000211855 [2,0,0,0,0,0|1,0,1]=4 494 B10R1.15 CO[C@H](C)c1ccccc1 34a_100000761318_200000210301 [2,0,0,0,0,0|1,0,1]=4 495 B10R1.15 CO[C@H](C)c1ccccc1 7a_100000761318_200000210301 [2,0,0,0,0,0|1,0,1]=4 496 B10R1.15 CSC(C)c1ccccc1 62a_100000230085_200000210301 [2,0,0,0,0,0|1,0,1]=4 497 B10R1.15 CSC(C)c1ccccc1 62a_200000210301_100000230085 [2,0,0,0,0,0|1,0,1]=4 498 B10R1.15 C[C@@H](N[13CH3])c1ccccc1 2230a_100000751104_200025704644 [2,0,0,0,0,0|1,0,1]=4 499 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 34a_100000761318_200025704644 [2,0,0,0,0,0|1,0,1]=4 500 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 7a_100000761318_200025704644 [2,0,0,0,0,0|1,0,1]=4 501 B10R1.15 O=C(CF)c1ccccc1 1458a_100000185807_100015361967 [2,0,0,0,0,0|1,0,1]=4 502 B10R1.18 CC(=Cc1ccccc1)C 271570a_100102525489_100000210277 [2,0,0,0,0,0|0,0,2]=4 503 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [2,0,0,0,0,0|1,0,1]=4 504 B10R1.18 CC(C)Nc1ccccc1 34a_100000106764_100000210206 [2,0,0,0,0,0|1,0,0]=3 505 B10R1.18 CC(C)Oc1ccccc1 34a_100000210340_100000210206 [2,0,0,0,0,0|1,0,0]=3 506 B10R1.18 CC(C)Oc1ccccc1 7a_100000210340_100000210206 [2,0,0,0,0,0|1,0,0]=3 507 B10R1.18 CC(C)Oc1cccnc1 34a_100000210849_100000210206 [2,0,0,0,0,0|2,0,0]=4 508 B10R1.18 CC(C)Oc1cccnc1 7a_100000210849_100000210206 [2,0,0,0,0,0|2,0,0]=4 509 B10R1.18 CC(C)Oc1ccncc1 34a_100000212176_100000210206 [2,0,0,0,0,0|2,0,0]=4 510 B10R1.18 CC(C)Sc1ccccc1 62a_100000210206_100000041952 [2,0,0,0,0,0|1,0,0]=3 511 B10R1.18 CC(C)Sc1ccccc1 62a_100000719477_100000210206 [2,0,0,0,0,0|1,0,0]=3 512 B10R1.18 CC(C)Sc1ccccn1 62a_100000210206_100011216584 [2,0,0,0,0,0|2,0,0]=4 513 B10R1.18 CC(C)Sc1ccccn1 62a_100011216584_100000210206 [2,0,0,0,0,0|2,0,0]=4 514 B10R1.18 CC(C)Sc1cccnc1 62a_100000210063_100000210206 [2,0,0,0,0,0|2,0,0]=4 515 B10R1.18 CC(C)Sc1cccnc1 62a_100000210206_100000210063 [2,0,0,0,0,0|2,0,0]=4 516 B10R1.18 CC(C)Sc1ccncc1 62a_100000210206_100000728582 [2,0,0,0,0,0|2,0,0]=4 517 B10R1.18 CC(C)Sc1ccncc1 62a_100000728582_100000210206 [2,0,0,0,0,0|2,0,0]=4 518 B10R1.18 CN(C)Cc1ccccc1 2230a_100000186898_200000210301 [2,0,0,0,0,0|1,0,0]=3 519 B10R1.18 CN(C)Cc1ccccc1 2230a_100102631434_100015291786 [2,0,0,0,0,0|1,0,0]=3 520 B10R1.18 CN(C)Cc1ccccc1 269982a_100000186898_200000210301 [2,0,0,0,0,0|1,0,0]=3 521 B10R1.18 CN(C)Cc1ccccc1 269982a_100102631434_100000211182 [2,0,0,0,0,0|1,0,0]=3 522 B10R1.18 CN(C)Cc1ccccc1 270004a_100102631434_100015611070 [2,0,0,0,0,0|1,0,0]=3 523 B10R1.18 CN(C)Cc1ccccn1 2230a_100000207498_200000210301 [2,0,0,0,0,0|2,0,0]=4 524 B10R1.18 CN(C)Cc1ccccn1 2230a_100102631434_100000721315 [2,0,0,0,0,0|2,0,0]=4 525 B10R1.18 CN(C)Cc1ccccn1 269982a_100000207498_200000210301 [2,0,0,0,0,0|2,0,0]=4 526 B10R1.18 CN(C)Cc1ccccn1 269982a_100102631434_100000721315 [2,0,0,0,0,0|2,0,0]=4 527 B10R1.18 CN(C)Cc1ccccn1 270004a_100102631434_100000209966 [2,0,0,0,0,0|2,0,0]=4 528 B10R1.18 CN(C)Cc1cccnc1 2230a_100000184577_200000210301 [2,0,0,0,0,0|2,0,0]=4 529 B10R1.18 CN(C)Cc1cccnc1 2230a_100102631434_100000741622 [2,0,0,0,0,0|2,0,0]=4 530 B10R1.18 CN(C)Cc1cccnc1 269982a_100000184577_200000210301 [2,0,0,0,0,0|2,0,0]=4 531 B10R1.18 CN(C)Cc1cccnc1 269982a_100102631434_100000733263 [2,0,0,0,0,0|2,0,0]=4 532 B10R1.18 CN(C)Cc1cccnc1 270004a_100102631434_100000209961 [2,0,0,0,0,0|2,0,0]=4 533 B10R1.18 CN(C)Cc1ccncc1 2230a_100000187231_200000210301 [2,0,0,0,0,0|2,0,0]=4 534 B10R1.18 CN(C)Cc1ccncc1 2230a_100102631434_100015193705 [2,0,0,0,0,0|2,0,0]=4 535 B10R1.18 CN(C)Cc1ccncc1 269982a_100000187231_200000210301 [2,0,0,0,0,0|2,0,0]=4 536 B10R1.18 CN(C)Cc1ccncc1 269982a_100102631434_100015193705 [2,0,0,0,0,0|2,0,0]=4 537 B10R1.18 CN([13CH3])Cc1ccccc1 2230a_100000186898_200025704644 [2,0,0,0,0,0|1,0,0]=3 538 B10R1.18 CN([13CH3])Cc1ccccc1 269982a_100000186898_200025704644 [2,0,0,0,0,0|1,0,0]=3 539 B10R1.18 CN([13CH3])Cc1ccccn1 2230a_100000207498_200025704644 [2,0,0,0,0,0|2,0,0]=4 540 B10R1.18 CN([13CH3])Cc1ccccn1 269982a_100000207498_200025704644 [2,0,0,0,0,0|2,0,0]=4 541 B10R1.18 CN([13CH3])Cc1cccnc1 2230a_100000184577_200025704644 [2,0,0,0,0,0|2,0,0]=4 542 B10R1.18 CN([13CH3])Cc1cccnc1 269982a_100000184577_200025704644 [2,0,0,0,0,0|2,0,0]=4 543 B10R1.18 CN([13CH3])Cc1ccncc1 2230a_100000187231_200025704644 [2,0,0,0,0,0|2,0,0]=4 544 B10R1.18 CN([13CH3])Cc1ccncc1 269982a_100000187231_200025704644 [2,0,0,0,0,0|2,0,0]=4 545 B12R0.352 C=CC=CC(=O)C(C(=O)N)C(C)C 1458a_100016291481_100000230017 [0,1,1,0,0,0|1,0,0]=3 546 B12R1.3 C#CC(OCC)c1ccccc1 34a_100011219616_100000210202 [1,1,0,0,0,0|1,0,1]=4 547 B12R1.3 C#CC(OCC)c1ccccc1 7a_100011219616_100000210202 [1,1,0,0,0,0|1,0,1]=4 548 B12R1.3 C=CC(NCC)c1ccccc1 2230a_100015525214_200000085779 [1,1,0,0,0,0|1,0,0]=3 549 B12R1.3 C=CC(OCC)c1ccccc1 34a_100011215659_100000210202 [1,1,0,0,0,0|1,0,0]=3 550 B12R1.3 C=CC(OCC)c1ccccc1 7a_100011215659_100000210202 [1,1,0,0,0,0|1,0,0]=3 551 B12R1.3 C=CC(OCF)c1ccccc1 34a_100011215659_100015361967 [1,1,0,0,0,0|2,0,0]=4 552 B12R1.3 C=CC(OCF)c1ccccc1 7a_100011215659_100015361967 [1,1,0,0,0,0|2,0,0]=4 553 B12R1.3 C=CC(SCC)c1ccccc1 62a_100000210202_200000085779 [1,1,0,0,0,0|1,0,0]=3 554 B12R1.3 C=CC(SCC)c1ccccc1 62a_200000085779_100000210202 [1,1,0,0,0,0|1,0,0]=3 555 B12R1.3 C=CC(SCF)c1ccccc1 62a_100015361967_200000085779 [1,1,0,0,0,0|2,0,0]=4 556 B12R1.3 C=CC(SCF)c1ccccc1 62a_200000085779_100015361967 [1,1,0,0,0,0|2,0,0]=4 557 B12R1.3 C=CCC(OC)c1ccccc1 34a_100000687291_200000210301 [1,1,0,0,0,0|2,0,0]=4 558 B12R1.3 C=CCC(OC)c1ccccc1 7a_100000687291_200000210301 [1,1,0,0,0,0|2,0,0]=4 559 B12R1.3 C=CCC(O[13CH3])c1ccccc1 34a_100000687291_200025704644 [1,1,0,0,0,0|2,0,0]=4 560 B12R1.3 C=CCC(O[13CH3])c1ccccc1 7a_100000687291_200025704644 [1,1,0,0,0,0|2,0,0]=4 561 B12R1.3 C=CCN(CC)c1ccccc1 2230a_100000210013_100000210623 [1,1,0,0,0,0|2,0,0]=4 562 B12R1.3 C=CCN(CC)c1ccccc1 2230a_100000211662_100000210202 [1,1,0,0,0,0|2,0,0]=4 563 B12R1.3 C=CCN(CC)c1ccccc1 269982a_100000210013_100000210623 [1,1,0,0,0,0|2,0,0]=4 564 B12R1.3 C=CCN(CC)c1ccccc1 269982a_100000211662_100000204670 [1,1,0,0,0,0|2,0,0]=4 565 B12R1.3 C=CCN(CC)c1ccccc1 34a_100000210013_100015514636 [1,1,0,0,0,0|2,0,0]=4 566 B12R1.3 C=CCN(CC)c1ccccc1 34a_100000211662_100000210202 [1,1,0,0,0,0|2,0,0]=4 567 B12R1.3 CCC(CNC)c1ccccc1 270004a_106832991635_100000753018 [1,1,0,0,0,0|1,0,1]=4 568 B12R1.3 CCC(COC)c1ccccc1 34a_100000752371_200000210301 [1,1,0,0,0,0|0,0,2]=4 569 B12R1.3 CCC(COC)c1ccccc1 7a_100000752371_200000210301 [1,1,0,0,0,0|0,0,2]=4 570 B12R1.3 CCC(CO[13CH3])c1ccccc1 34a_100000752371_200025704644 [1,1,0,0,0,0|0,0,2]=4 571 B12R1.3 CCC(CO[13CH3])c1ccccc1 7a_100000752371_200025704644 [1,1,0,0,0,0|0,0,2]=4 572 B12R1.3 CCC(OCF)c1ccccc1 34a_100000698172_100015361967 [1,1,0,0,0,0|1,0,1]=4 573 B12R1.3 CCC(OCF)c1ccccc1 7a_100000698172_100015361967 [1,1,0,0,0,0|1,0,1]=4 574 B12R1.3 CCCC(NC)c1ccccc1 2230a_100000189686_200000210301 [1,1,0,0,0,0|2,0,0]=4 575 B12R1.3 CCCC(NC)c1ccccc1 269862a_106832991636_100000211045 [1,1,0,0,0,0|2,0,0]=4 576 B12R1.3 CCCC(NC)c1ccccc1 34a_100000189686_200000210301 [1,1,0,0,0,0|2,0,0]=4 577 B12R1.3 CCCC(N[13CH3])c1ccccc1 2230a_100000189686_200025704644 [1,1,0,0,0,0|2,0,0]=4 578 B12R1.3 CCCC(N[13CH3])c1ccccc1 34a_100000189686_200025704644 [1,1,0,0,0,0|2,0,0]=4 579 B12R1.3 CCCC(OC)c1ccccc1 34a_100000747916_200000210301 [1,1,0,0,0,0|2,0,0]=4 580 B12R1.3 CCCC(OC)c1ccccc1 7a_100000747916_200000210301 [1,1,0,0,0,0|2,0,0]=4 581 B12R1.3 CCCC(O[13CH3])c1ccccc1 34a_100000747916_200025704644 [1,1,0,0,0,0|2,0,0]=4 582 B12R1.3 CCCC(O[13CH3])c1ccccc1 7a_100000747916_200025704644 [1,1,0,0,0,0|2,0,0]=4 583 B12R1.3 CCN(CC=O)c1ccccc1 2230a_100000210013_200015260668 [1,1,0,0,0,0|1,0,0]=3 584 B12R1.3 CCN(CC=O)c1ccccc1 269982a_100000210013_200015260668 [1,1,0,0,0,0|1,0,0]=3 585 B12R1.3 CCN(CC=O)c1ccccc1 34a_100000210013_200009817547 [1,1,0,0,0,0|1,0,0]=3 586 B12R1.3 CCNC(CC)c1ccccc1 2230a_100000737752_100000210202 [1,1,0,0,0,0|1,0,1]=4 587 B12R1.3 CCNC(CC)c1ccccc1 269862a_100015525214_100000210124 [1,1,0,0,0,0|1,0,1]=4 588 B12R1.3 CCN[C@H](CO)c1ccccc1 2230a_100000751927_100000210202 [1,1,0,0,0,0|0,0,2]=4 589 B12R1.3 CCN[C@H](CO)c1ccccc1 34a_100000751927_100000210202 [1,1,0,0,0,0|0,0,2]=4 590 B12R1.3 CCOC(C#N)c1ccccc1 7a_100011217353_100000210202 [1,1,0,0,0,0|1,0,1]=4 591 B12R1.3 CCOC(CBr)c1ccccc1 7a_100000185958_100000210202 [1,1,0,0,0,0|1,0,1]=4 592 B12R1.3 CCOC(CC)c1ccccc1 34a_100000698172_100000210202 [1,1,0,0,0,0|1,0,1]=4 593 B12R1.3 CCOC(CC)c1ccccc1 7a_100000698172_100000210202 [1,1,0,0,0,0|1,0,1]=4 594 B12R1.3 CCOC(CN)c1ccccc1 34a_100000210709_100000210202 [1,1,0,0,0,0|1,0,1]=4 595 B12R1.3 CCO[C@H](CCl)c1ccccc1 34a_100011933945_100000210202 [1,1,0,0,0,0|1,0,1]=4 596 B12R1.3 CCO[C@H](CCl)c1ccccc1 7a_100011933945_100000210202 [1,1,0,0,0,0|1,0,1]=4 597 B12R1.3 CNC(CCCl)c1ccccc1 2230a_106832991635_200010132975 [1,1,0,0,0,0|2,0,0]=4 598 B12R1.3 CNC(CCCl)c1ccccc1 7a_106832991635_200010132975 [1,1,0,0,0,0|2,0,0]=4 599 B12R1.3 CNC(COC)c1ccccc1 269862a_106832991636_100000765260 [1,1,0,0,0,0|2,0,0]=4 600 B12R1.3 CN[C@@H](CCO)c1ccccc1 2230a_100025705951_200000210301 [1,1,0,0,0,0|2,0,0]=4 601 B12R1.3 CN[C@H](COC)c1ccccc1 2230a_103619048568_200000210301 [1,1,0,0,0,0|2,0,0]=4 602 B12R1.3 CN[C@H](COC)c1ccccc1 34a_103619048568_200000210301 [1,1,0,0,0,0|2,0,0]=4 603 B12R1.3 COC(CCN)c1ccccc1 34a_100000763605_200000210301 [1,1,0,0,0,0|2,0,0]=4 604 B12R1.3 COC(CO[13CH3])c1ccccc1 34a_100011215540_200025704644 [1,1,0,0,0,0|2,0,0]=4 605 B12R1.3 COC(CO[13CH3])c1ccccc1 7a_100011215540_200025704644 [1,1,0,0,0,0|2,0,0]=4 606 B12R1.3 COCC(OC)c1ccccc1 34a_100011215540_200000210301 [1,1,0,0,0,0|2,0,0]=4 607 B12R1.3 COCC(OC)c1ccccc1 7a_100011215540_200000210301 [1,1,0,0,0,0|2,0,0]=4 608 B12R1.3 COC[C@@H](N[13CH3])c1ccccc1 2230a_103619048568_200025704644 [1,1,0,0,0,0|2,0,0]=4 609 B12R1.3 COC[C@@H](N[13CH3])c1ccccc1 34a_103619048568_200025704644 [1,1,0,0,0,0|2,0,0]=4 610 B12R1.3 CO[C@H](CCCl)c1ccccc1 34a_100000729684_200000210301 [1,1,0,0,0,0|2,0,0]=4 611 B12R1.3 CO[C@H](CCCl)c1ccccc1 7a_100000729684_200000210301 [1,1,0,0,0,0|2,0,0]=4 612 B12R1.3 CSC(CCCl)c1ccccc1 62a_200000210301_200010132975 [1,1,0,0,0,0|2,0,0]=4 613 B12R1.3 CSC(CCCl)c1ccccc1 62a_200010132975_200000210301 [1,1,0,0,0,0|2,0,0]=4 614 B12R1.3 [13CH3]N[C@@H](CCO)c1ccccc1 2230a_100025705951_200025704644 [1,1,0,0,0,0|2,0,0]=4 615 B12R1.3 [13CH3]OC(CCN)c1ccccc1 34a_100000763605_200025704644 [1,1,0,0,0,0|2,0,0]=4 616 B12R1.3 [13CH3]O[C@H](CCCl)c1ccccc1 34a_100000729684_200025704644 [1,1,0,0,0,0|2,0,0]=4 617 B12R1.3 [13CH3]O[C@H](CCCl)c1ccccc1 7a_100000729684_200025704644 [1,1,0,0,0,0|2,0,0]=4 618 B12R1.3 [13CH3]SC(CCCl)c1ccccc1 62a_200010132975_200025704644 [1,1,0,0,0,0|2,0,0]=4 619 B12R1.3 [13CH3]SC(CCCl)c1ccccc1 62a_200025704644_200010132975 [1,1,0,0,0,0|2,0,0]=4 620 B12R1.12 CCC(NC)c1ccc(cc1)Br 269862a_106832991636_100000211647 [1,1,0,0,0,0|2,0,0]=4 621 B12R1.12 CCC(NC)c1ccc(cc1)C 2230a_100000749201_200000210301 [1,1,0,0,0,0|2,0,0]=4 622 B12R1.12 CCC(NC)c1ccc(cc1)C 269862a_106832991636_100000185863 [1,1,0,0,0,0|2,0,0]=4 623 B12R1.12 CCC(NC)c1ccc(cc1)C 34a_100000749201_200000210301 [1,1,0,0,0,0|2,0,0]=4 624 B12R1.12 CCC(NC)c1ccc(cc1)Cl 269862a_106832991636_100000210983 [1,1,0,0,0,0|2,0,0]=4 625 B12R1.12 CCC(NC)c1ccc(cc1)F 2230a_100011191751_200000210301 [1,1,0,0,0,0|2,0,0]=4 626 B12R1.12 CCC(NC)c1ccc(cc1)F 269862a_106832991636_100000211089 [1,1,0,0,0,0|2,0,0]=4 627 B12R1.12 CCC(NC)c1ccc(cc1)F 34a_100011191751_200000210301 [1,1,0,0,0,0|2,0,0]=4 628 B12R1.12 CCC(NC)c1ccc(cc1)I 269862a_106832991636_100000763097 [1,1,0,0,0,0|2,0,0]=4 629 B12R1.12 CCC(NC)c1ccc(cc1)O 271570a_203496583355_100000231127 [1,1,0,0,0,0|2,0,0]=4 630 B12R1.12 CCC(NC)c1ccc(cc1)O 34a_100015187210_200000210301 [1,1,0,0,0,0|2,0,0]=4 631 B12R1.12 CCC(N[13CH3])c1ccc(cc1)C 2230a_100000749201_200025704644 [1,1,0,0,0,0|2,0,0]=4 632 B12R1.12 CCC(N[13CH3])c1ccc(cc1)C 34a_100000749201_200025704644 [1,1,0,0,0,0|2,0,0]=4 633 B12R1.12 CCC(N[13CH3])c1ccc(cc1)F 2230a_100011191751_200025704644 [1,1,0,0,0,0|2,0,0]=4 634 B12R1.12 CCC(N[13CH3])c1ccc(cc1)F 34a_100011191751_200025704644 [1,1,0,0,0,0|2,0,0]=4 635 B12R1.12 CCC(N[13CH3])c1ccc(cc1)O 34a_100015187210_200025704644 [1,1,0,0,0,0|2,0,0]=4 636 B12R1.12 CCC(OC)c1ccc(cc1)Br 34a_100000246506_200000210301 [1,1,0,0,0,0|2,0,0]=4 637 B12R1.12 CCC(OC)c1ccc(cc1)Br 7a_100000246506_200000210301 [1,1,0,0,0,0|2,0,0]=4 638 B12R1.12 CCC(OC)c1ccc(cc1)C 34a_100000246521_200000210301 [1,1,0,0,0,0|2,0,0]=4 639 B12R1.12 CCC(OC)c1ccc(cc1)C 7a_100000246521_200000210301 [1,1,0,0,0,0|2,0,0]=4 640 B12R1.12 CCC(OC)c1ccc(cc1)Cl 34a_100000246471_200000210301 [1,1,0,0,0,0|2,0,0]=4 641 B12R1.12 CCC(OC)c1ccc(cc1)Cl 7a_100000246471_200000210301 [1,1,0,0,0,0|2,0,0]=4 642 B12R1.12 CCC(OC)c1ccc(cc1)F 34a_100000246474_200000210301 [1,1,0,0,0,0|2,0,0]=4 643 B12R1.12 CCC(OC)c1ccc(cc1)F 7a_100000246474_200000210301 [1,1,0,0,0,0|2,0,0]=4 644 B12R1.12 CCC(O[13CH3])c1ccc(cc1)Br 34a_100000246506_200025704644 [1,1,0,0,0,0|2,0,0]=4 645 B12R1.12 CCC(O[13CH3])c1ccc(cc1)Br 7a_100000246506_200025704644 [1,1,0,0,0,0|2,0,0]=4 646 B12R1.12 CCC(O[13CH3])c1ccc(cc1)C 34a_100000246521_200025704644 [1,1,0,0,0,0|2,0,0]=4 647 B12R1.12 CCC(O[13CH3])c1ccc(cc1)C 7a_100000246521_200025704644 [1,1,0,0,0,0|2,0,0]=4 648 B12R1.12 CCC(O[13CH3])c1ccc(cc1)Cl 34a_100000246471_200025704644 [1,1,0,0,0,0|2,0,0]=4 649 B12R1.12 CCC(O[13CH3])c1ccc(cc1)Cl 7a_100000246471_200025704644 [1,1,0,0,0,0|2,0,0]=4 650 B12R1.12 CCC(O[13CH3])c1ccc(cc1)F 34a_100000246474_200025704644 [1,1,0,0,0,0|2,0,0]=4 651 B12R1.12 CCC(O[13CH3])c1ccc(cc1)F 7a_100000246474_200025704644 [1,1,0,0,0,0|2,0,0]=4 652 B12R1.12 CC[C@H](NC)c1ccc(cc1)Br 2230a_100025736560_200000210301 [1,1,0,0,0,0|2,0,0]=4 653 B12R1.12 CC[C@H](NC)c1ccc(cc1)Br 34a_100025736560_200000210301 [1,1,0,0,0,0|2,0,0]=4 654 B12R1.12 CC[C@H](NC)c1ccc(cc1)Cl 2230a_100015186824_200000210301 [1,1,0,0,0,0|2,0,0]=4 655 B12R1.12 CC[C@H](NC)c1ccc(cc1)Cl 34a_100015186824_200000210301 [1,1,0,0,0,0|2,0,0]=4 656 B12R1.12 CC[C@H](N[13CH3])c1ccc(cc1)Br 2230a_100025736560_200025704644 [1,1,0,0,0,0|2,0,0]=4 657 B12R1.12 CC[C@H](N[13CH3])c1ccc(cc1)Br 34a_100025736560_200025704644 [1,1,0,0,0,0|2,0,0]=4 658 B12R1.12 CC[C@H](N[13CH3])c1ccc(cc1)Cl 2230a_100015186824_200025704644 [1,1,0,0,0,0|2,0,0]=4 659 B12R1.12 CC[C@H](N[13CH3])c1ccc(cc1)Cl 34a_100015186824_200025704644 [1,1,0,0,0,0|2,0,0]=4 660 B12R1.13 CCC(NC)c1cccc(c1)Br 269862a_106832991636_100000211677 [1,1,0,0,0,0|2,0,0]=4 661 B12R1.13 CCC(NC)c1cccc(c1)C 269862a_106832991636_100000730664 [1,1,0,0,0,0|2,0,0]=4 662 B12R1.13 CCC(NC)c1cccc(c1)Cl 2230a_100000737531_200000210301 [1,1,0,0,0,0|2,0,0]=4 663 B12R1.13 CCC(NC)c1cccc(c1)Cl 269862a_106832991636_100000211052 [1,1,0,0,0,0|2,0,0]=4 664 B12R1.13 CCC(NC)c1cccc(c1)Cl 34a_100000737531_200000210301 [1,1,0,0,0,0|2,0,0]=4 665 B12R1.13 CCC(NC)c1cccc(c1)F 2230a_100159265421_200000210301 [1,1,0,0,0,0|2,0,0]=4 666 B12R1.13 CCC(NC)c1cccc(c1)F 269862a_106832991636_100000687998 [1,1,0,0,0,0|2,0,0]=4 667 B12R1.13 CCC(NC)c1cccc(c1)F 34a_100159265421_200000210301 [1,1,0,0,0,0|2,0,0]=4 668 B12R1.13 CCC(NC)c1cccc(c1)O 2230a_100159312145_200000210301 [1,1,0,0,0,0|2,0,0]=4 669 B12R1.13 CCC(NC)c1cccc(c1)O 269862a_106832991636_100011996911 [1,1,0,0,0,0|2,0,0]=4 670 B12R1.13 CCC(NC)c1cccc(c1)O 34a_100159312145_200000210301 [1,1,0,0,0,0|2,0,0]=4 671 B12R1.13 CCC(N[13CH3])c1cccc(c1)Cl 2230a_100000737531_200025704644 [1,1,0,0,0,0|2,0,0]=4 672 B12R1.13 CCC(N[13CH3])c1cccc(c1)Cl 34a_100000737531_200025704644 [1,1,0,0,0,0|2,0,0]=4 673 B12R1.13 CCC(N[13CH3])c1cccc(c1)F 2230a_100159265421_200025704644 [1,1,0,0,0,0|2,0,0]=4 674 B12R1.13 CCC(N[13CH3])c1cccc(c1)F 34a_100159265421_200025704644 [1,1,0,0,0,0|2,0,0]=4 675 B12R1.13 CCC(N[13CH3])c1cccc(c1)O 2230a_100159312145_200025704644 [1,1,0,0,0,0|2,0,0]=4 676 B12R1.13 CCC(N[13CH3])c1cccc(c1)O 34a_100159312145_200025704644 [1,1,0,0,0,0|2,0,0]=4 677 B12R1.13 CCC(OC)c1cccc(c1)Cl 34a_100000766619_200000210301 [1,1,0,0,0,0|2,0,0]=4 678 B12R1.13 CCC(OC)c1cccc(c1)Cl 7a_100000766619_200000210301 [1,1,0,0,0,0|2,0,0]=4 679 B12R1.13 CCC(OC)c1cccc(c1)F 34a_100011350881_200000210301 [1,1,0,0,0,0|2,0,0]=4 680 B12R1.13 CCC(OC)c1cccc(c1)F 7a_100011350881_200000210301 [1,1,0,0,0,0|2,0,0]=4 681 B12R1.13 CCC(OC)c1cccc(c1)I 34a_200013212081_200000210301 [1,1,0,0,0,0|2,0,0]=4 682 B12R1.13 CCC(OC)c1cccc(c1)I 7a_200013212081_200000210301 [1,1,0,0,0,0|2,0,0]=4 683 B12R1.13 CCC(O[13CH3])c1cccc(c1)Cl 34a_100000766619_200025704644 [1,1,0,0,0,0|2,0,0]=4 684 B12R1.13 CCC(O[13CH3])c1cccc(c1)Cl 7a_100000766619_200025704644 [1,1,0,0,0,0|2,0,0]=4 685 B12R1.13 CCC(O[13CH3])c1cccc(c1)F 34a_100011350881_200025704644 [1,1,0,0,0,0|2,0,0]=4 686 B12R1.13 CCC(O[13CH3])c1cccc(c1)F 7a_100011350881_200025704644 [1,1,0,0,0,0|2,0,0]=4 687 B12R1.13 CCC(O[13CH3])c1cccc(c1)I 34a_200013212081_200025704644 [1,1,0,0,0,0|2,0,0]=4 688 B12R1.13 CCC(O[13CH3])c1cccc(c1)I 7a_200013212081_200025704644 [1,1,0,0,0,0|2,0,0]=4 689 B12R1.13 CC[C@@H](NC)c1cccc(c1)C 2230a_200016991486_200000210301 [1,1,0,0,0,0|2,0,0]=4 690 B12R1.13 CC[C@@H](NC)c1cccc(c1)C 34a_200016991486_200000210301 [1,1,0,0,0,0|2,0,0]=4 691 B12R1.13 CC[C@@H](N[13CH3])c1cccc(c1)C 2230a_200016991486_200025704644 [1,1,0,0,0,0|2,0,0]=4 692 B12R1.13 CC[C@@H](N[13CH3])c1cccc(c1)C 34a_200016991486_200025704644 [1,1,0,0,0,0|2,0,0]=4 693 B12R1.13 CC[C@H](NC)c1cccc(c1)Br 2230a_100102422761_200000210301 [1,1,0,0,0,0|2,0,0]=4 694 B12R1.13 CC[C@H](NC)c1cccc(c1)Br 34a_100102422761_200000210301 [1,1,0,0,0,0|2,0,0]=4 695 B12R1.13 CC[C@H](N[13CH3])c1cccc(c1)Br 2230a_100102422761_200025704644 [1,1,0,0,0,0|2,0,0]=4 696 B12R1.13 CC[C@H](N[13CH3])c1cccc(c1)Br 34a_100102422761_200025704644 [1,1,0,0,0,0|2,0,0]=4 697 B12R1.243 CCC(NC)c1ccccc1C 269862a_106832991636_100011350723 [1,1,0,0,0,0|2,0,0]=4 698 B12R1.243 CCC(NC)c1ccccc1Cl 269862a_106832991636_100011400563 [1,1,0,0,0,0|2,0,0]=4 699 B12R1.243 CCC(NC)c1ccccc1F 269862a_106832991636_100000686739 [1,1,0,0,0,0|2,0,0]=4 700 B12R1.243 CCC(OC)c1ccccc1F 34a_200011689290_200000210301 [1,1,0,0,0,0|2,0,0]=4 701 B12R1.243 CCC(OC)c1ccccc1F 7a_200011689290_200000210301 [1,1,0,0,0,0|2,0,0]=4 702 B12R1.243 CCC(O[13CH3])c1ccccc1F 34a_200011689290_200025704644 [1,1,0,0,0,0|2,0,0]=4 703 B12R1.243 CCC(O[13CH3])c1ccccc1F 7a_200011689290_200025704644 [1,1,0,0,0,0|2,0,0]=4 704 B12R1.243 CC[C@H](NC)c1ccccc1Cl 2230a_200016987949_200000210301 [1,1,0,0,0,0|2,0,0]=4 705 B12R1.243 CC[C@H](NC)c1ccccc1Cl 34a_200016987949_200000210301 [1,1,0,0,0,0|2,0,0]=4 706 B12R1.243 CC[C@H](NC)c1ccccc1F 2230a_100015190424_200000210301 [1,1,0,0,0,0|2,0,0]=4 707 B12R1.243 CC[C@H](NC)c1ccccc1F 34a_100015190424_200000210301 [1,1,0,0,0,0|2,0,0]=4 708 B12R1.243 CC[C@H](N[13CH3])c1ccccc1Cl 2230a_200016987949_200025704644 [1,1,0,0,0,0|2,0,0]=4 709 B12R1.243 CC[C@H](N[13CH3])c1ccccc1Cl 34a_200016987949_200025704644 [1,1,0,0,0,0|2,0,0]=4 710 B12R1.243 CC[C@H](N[13CH3])c1ccccc1F 2230a_100015190424_200025704644 [1,1,0,0,0,0|2,0,0]=4 711 B12R1.243 CC[C@H](N[13CH3])c1ccccc1F 34a_100015190424_200025704644 [1,1,0,0,0,0|2,0,0]=4 712 B12R1.475 CCC(C)(OC)c1ccccc1 7a_100000748282_200000210301 [1,1,0,0,0,0|2,0,0]=4 713 B12R1.475 CCC(C)(O[13CH3])c1ccccc1 7a_100000748282_200025704644 [1,1,0,0,0,0|2,0,0]=4 714 B12R1.20 CC(C)C(=O)c1ccc(cc1)Br 1458a_100000185839_100000210206 [1,1,0,0,0,0|0,0,1]=3 715 B12R1.20 CC(C)C(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210206 [1,1,0,0,0,0|0,0,1]=3 716 B12R1.20 CC(C)C(=O)c1ccc(cc1)F 1458a_100000187176_100000210206 [1,1,0,0,0,0|0,0,1]=3 717 B12R1.20 CC(C)C(=O)c1ccc(cc1)I 1458a_100000187904_100000210206 [1,1,0,0,0,0|0,0,1]=3 718 B12R1.20 CC(C)C(=O)c1ccc(cc1)O 1458a_100000212099_100000210206 [1,1,0,0,0,0|0,0,1]=3 719 B12R1.20 CC(C)C(=O)c1ccc(cc1)O 271570a_203496583355_100011220430 [1,1,0,0,0,0|0,0,1]=3 720 B12R1.20 CC(C)N(C)c1ccc(cc1)Br 2230a_100000219623_100000210206 [1,1,0,0,0,0|1,0,1]=4 721 B12R1.20 CC(C)N(C)c1ccc(cc1)Br 2230a_100000219625_200000210301 [1,1,0,0,0,0|1,0,1]=4 722 B12R1.20 CC(C)N(C)c1ccc(cc1)Br 269982a_100000219623_100000210206 [1,1,0,0,0,0|1,0,1]=4 723 B12R1.20 CC(C)N(C)c1ccc(cc1)Br 269982a_100000219625_200000210301 [1,1,0,0,0,0|1,0,1]=4 724 B12R1.20 CC(C)N(C)c1ccc(cc1)Br 34a_100000219623_100000210206 [1,1,0,0,0,0|1,0,1]=4 725 B12R1.20 CC(C)N(C)c1ccc(cc1)Br 34a_100000219625_200000210301 [1,1,0,0,0,0|1,0,1]=4 726 B12R1.20 CC(C)N(C)c1ccc(cc1)Br 7a_100000219625_200000210301 [1,1,0,0,0,0|1,0,1]=4 727 B12R1.20 CC(C)N(C)c1ccc(cc1)Cl 2230a_100000749197_200000210301 [1,1,0,0,0,0|1,0,1]=4 728 B12R1.20 CC(C)N(C)c1ccc(cc1)Cl 2230a_100020629279_100000210206 [1,1,0,0,0,0|1,0,1]=4 729 B12R1.20 CC(C)N(C)c1ccc(cc1)Cl 269982a_100000749197_200000210301 [1,1,0,0,0,0|1,0,1]=4 730 B12R1.20 CC(C)N(C)c1ccc(cc1)Cl 269982a_100020629279_100000210206 [1,1,0,0,0,0|1,0,1]=4 731 B12R1.20 CC(C)N(C)c1ccc(cc1)Cl 34a_100000749197_200000210301 [1,1,0,0,0,0|1,0,1]=4 732 B12R1.20 CC(C)N(C)c1ccc(cc1)Cl 34a_100020629279_100000210206 [1,1,0,0,0,0|1,0,1]=4 733 B12R1.20 CC(C)N(C)c1ccc(cc1)Cl 7a_100000749197_200000210301 [1,1,0,0,0,0|1,0,1]=4 734 B12R1.20 CC(C)N(C)c1ccc(cc1)F 2230a_100000219829_100000210206 [1,1,0,0,0,0|1,0,1]=4 735 B12R1.20 CC(C)N(C)c1ccc(cc1)F 2230a_100000219830_200000210301 [1,1,0,0,0,0|1,0,1]=4 736 B12R1.20 CC(C)N(C)c1ccc(cc1)F 269982a_100000219829_100000210206 [1,1,0,0,0,0|1,0,1]=4 737 B12R1.20 CC(C)N(C)c1ccc(cc1)F 269982a_100000219830_200000210301 [1,1,0,0,0,0|1,0,1]=4 738 B12R1.20 CC(C)N(C)c1ccc(cc1)F 34a_100000219829_100000210206 [1,1,0,0,0,0|1,0,1]=4 739 B12R1.20 CC(C)N(C)c1ccc(cc1)F 34a_100000219830_200000210301 [1,1,0,0,0,0|1,0,1]=4 740 B12R1.20 CC(C)N(C)c1ccc(cc1)F 7a_100000219830_200000210301 [1,1,0,0,0,0|1,0,1]=4 741 B12R1.20 CC(C)N(C)c1ccc(cc1)I 2230a_100000743151_100000210206 [1,1,0,0,0,0|1,0,1]=4 742 B12R1.20 CC(C)N(C)c1ccc(cc1)I 269982a_100000743151_100000210206 [1,1,0,0,0,0|1,0,1]=4 743 B12R1.20 CC(C)N(C)c1ccc(cc1)I 34a_100000743151_100000210206 [1,1,0,0,0,0|1,0,1]=4 744 B12R1.20 CC(C)N(C)c1ccc(cc1)O 269982a_100000182112_100000210206 [1,1,0,0,0,0|1,0,1]=4 745 B12R1.20 CC(C)N(C)c1ccc(cc1)O 34a_100000182112_100000210206 [1,1,0,0,0,0|1,0,1]=4 746 B12R1.20 CC(C)N([13CH3])c1ccc(cc1)Br 2230a_100000219625_200025704644 [1,1,0,0,0,0|1,0,1]=4 747 B12R1.20 CC(C)N([13CH3])c1ccc(cc1)Br 269982a_100000219625_200025704644 [1,1,0,0,0,0|1,0,1]=4 748 B12R1.20 CC(C)N([13CH3])c1ccc(cc1)Br 34a_100000219625_200025704644 [1,1,0,0,0,0|1,0,1]=4 749 B12R1.20 CC(C)N([13CH3])c1ccc(cc1)Br 7a_100000219625_200025704644 [1,1,0,0,0,0|1,0,1]=4 750 B12R1.20 CC(C)N([13CH3])c1ccc(cc1)Cl 2230a_100000749197_200025704644 [1,1,0,0,0,0|1,0,1]=4 751 B12R1.20 CC(C)N([13CH3])c1ccc(cc1)Cl 269982a_100000749197_200025704644 [1,1,0,0,0,0|1,0,1]=4 752 B12R1.20 CC(C)N([13CH3])c1ccc(cc1)Cl 34a_100000749197_200025704644 [1,1,0,0,0,0|1,0,1]=4 753 B12R1.20 CC(C)N([13CH3])c1ccc(cc1)Cl 7a_100000749197_200025704644 [1,1,0,0,0,0|1,0,1]=4 754 B12R1.20 CC(C)N([13CH3])c1ccc(cc1)F 2230a_100000219830_200025704644 [1,1,0,0,0,0|1,0,1]=4 755 B12R1.20 CC(C)N([13CH3])c1ccc(cc1)F 269982a_100000219830_200025704644 [1,1,0,0,0,0|1,0,1]=4 756 B12R1.20 CC(C)N([13CH3])c1ccc(cc1)F 34a_100000219830_200025704644 [1,1,0,0,0,0|1,0,1]=4 757 B12R1.20 CC(C)N([13CH3])c1ccc(cc1)F 7a_100000219830_200025704644 [1,1,0,0,0,0|1,0,1]=4 758 B12R1.20 CC(C)S(=O)c1ccc(cc1)O 271570a_203496583355_100010749287 [1,1,0,0,0,0|1,0,0]=3 759 B12R1.20 CC(C)[C@H](N)c1ccc(cc1)O 271570a_203496583355_100102422763 [1,1,0,0,0,0|1,0,0]=3 760 B12R1.20 CC(c1ccc(cc1)Br)N(C)C 2230a_100000231103_200000210301 [1,1,0,0,0,0|1,0,1]=4 761 B12R1.20 CC(c1ccc(cc1)Br)N(C)C 2230a_100102631434_100000755118 [1,1,0,0,0,0|1,0,1]=4 762 B12R1.20 CC(c1ccc(cc1)Br)N(C)C 269982a_100000231103_200000210301 [1,1,0,0,0,0|1,0,1]=4 763 B12R1.20 CC(c1ccc(cc1)Br)N(C)C 269982a_100102631434_100000755118 [1,1,0,0,0,0|1,0,1]=4 764 B12R1.20 CC(c1ccc(cc1)Br)N(C)[13CH3] 2230a_100000231103_200025704644 [1,1,0,0,0,0|1,0,1]=4 765 B12R1.20 CC(c1ccc(cc1)Br)N(C)[13CH3] 269982a_100000231103_200025704644 [1,1,0,0,0,0|1,0,1]=4 766 B12R1.20 CC(c1ccc(cc1)Cl)N(C)C 2230a_100000231102_200000210301 [1,1,0,0,0,0|1,0,1]=4 767 B12R1.20 CC(c1ccc(cc1)Cl)N(C)C 2230a_100102631434_100000684792 [1,1,0,0,0,0|1,0,1]=4 768 B12R1.20 CC(c1ccc(cc1)Cl)N(C)C 269982a_100000231102_200000210301 [1,1,0,0,0,0|1,0,1]=4 769 B12R1.20 CC(c1ccc(cc1)Cl)N(C)C 269982a_100102631434_100000684792 [1,1,0,0,0,0|1,0,1]=4 770 B12R1.20 CC(c1ccc(cc1)Cl)N(C)[13CH3] 2230a_100000231102_200025704644 [1,1,0,0,0,0|1,0,1]=4 771 B12R1.20 CC(c1ccc(cc1)Cl)N(C)[13CH3] 269982a_100000231102_200025704644 [1,1,0,0,0,0|1,0,1]=4 772 B12R1.20 CC(c1ccc(cc1)F)N(C)C 2230a_100000222788_200000210301 [1,1,0,0,0,0|1,0,1]=4 773 B12R1.20 CC(c1ccc(cc1)F)N(C)C 2230a_100102631434_100000743420 [1,1,0,0,0,0|1,0,1]=4 774 B12R1.20 CC(c1ccc(cc1)F)N(C)C 269982a_100000222788_200000210301 [1,1,0,0,0,0|1,0,1]=4 775 B12R1.20 CC(c1ccc(cc1)F)N(C)C 269982a_100102631434_100000743420 [1,1,0,0,0,0|1,0,1]=4 776 B12R1.20 CC(c1ccc(cc1)F)N(C)C 34a_100000222788_200000210301 [1,1,0,0,0,0|1,0,1]=4 777 B12R1.20 CC(c1ccc(cc1)F)N(C)[13CH3] 2230a_100000222788_200025704644 [1,1,0,0,0,0|1,0,1]=4 778 B12R1.20 CC(c1ccc(cc1)F)N(C)[13CH3] 269982a_100000222788_200025704644 [1,1,0,0,0,0|1,0,1]=4 779 B12R1.20 CC(c1ccc(cc1)F)N(C)[13CH3] 34a_100000222788_200025704644 [1,1,0,0,0,0|1,0,1]=4 780 B12R1.20 CN(C)C(=O)c1ccc(cc1)Br 11a_100102631434_100000185839 [1,1,0,0,0,0|1,0,1]=4 781 B12R1.20 CN(C)C(=O)c1ccc(cc1)Br 1626a_100102631434_100000185839 [1,1,0,0,0,0|1,0,1]=4 782 B12R1.20 CN(C)C(=O)c1ccc(cc1)Br 240690a_100102631434_100000185839 [1,1,0,0,0,0|1,0,1]=4 783 B12R1.20 CN(C)C(=O)c1ccc(cc1)Br 527a_100102631434_100000185839 [1,1,0,0,0,0|1,0,1]=4 784 B12R1.20 CN(C)C(=O)c1ccc(cc1)Cl 11a_100102631434_100000210187 [1,1,0,0,0,0|1,0,1]=4 785 B12R1.20 CN(C)C(=O)c1ccc(cc1)Cl 1626a_100102631434_100000210187 [1,1,0,0,0,0|1,0,1]=4 786 B12R1.20 CN(C)C(=O)c1ccc(cc1)Cl 240690a_100102631434_100000210187 [1,1,0,0,0,0|1,0,1]=4 787 B12R1.20 CN(C)C(=O)c1ccc(cc1)Cl 527a_100102631434_100000210187 [1,1,0,0,0,0|1,0,1]=4 788 B12R1.20 CN(C)C(=O)c1ccc(cc1)F 11a_100102631434_100000187176 [1,1,0,0,0,0|1,0,1]=4 789 B12R1.20 CN(C)C(=O)c1ccc(cc1)F 1626a_100102631434_100000187176 [1,1,0,0,0,0|1,0,1]=4 790 B12R1.20 CN(C)C(=O)c1ccc(cc1)F 240690a_100102631434_100000187176 [1,1,0,0,0,0|1,0,1]=4 791 B12R1.20 CN(C)C(=O)c1ccc(cc1)F 527a_100102631434_100000187176 [1,1,0,0,0,0|1,0,1]=4 792 B12R1.20 CN(C)C(=O)c1ccc(cc1)I 11a_100102631434_100000187904 [1,1,0,0,0,0|1,0,1]=4 793 B12R1.20 CN(C)C(=O)c1ccc(cc1)I 1626a_100102631434_100000187904 [1,1,0,0,0,0|1,0,1]=4 794 B12R1.20 CN(C)C(=O)c1ccc(cc1)I 240690a_100102631434_100000187904 [1,1,0,0,0,0|1,0,1]=4 795 B12R1.20 CN(C)C(=O)c1ccc(cc1)I 527a_100102631434_100000187904 [1,1,0,0,0,0|1,0,1]=4 796 B12R1.20 CN(C)C(=O)c1ccc(cc1)O 240690a_100102631434_100000212099 [1,1,0,0,0,0|1,0,1]=4 797 B12R1.20 CN(C)C(=O)c1ccc(cc1)O 271570a_203496583355_100000159574 [1,1,0,0,0,0|1,0,1]=4 798 B12R1.20 CN(C)C(=O)c1ccc(cc1)O 527a_100102631434_100000212099 [1,1,0,0,0,0|1,0,1]=4 799 B12R1.20 Cc1ccc(cc1)C(=O)C(C)C 1458a_100000188618_100000210206 [1,1,0,0,0,0|0,0,1]=3 800 B12R1.20 Cc1ccc(cc1)C(=O)N(C)C 11a_100102631434_100000188618 [1,1,0,0,0,0|1,0,1]=4 801 B12R1.20 Cc1ccc(cc1)C(=O)N(C)C 1626a_100102631434_100000188618 [1,1,0,0,0,0|1,0,1]=4 802 B12R1.20 Cc1ccc(cc1)C(=O)N(C)C 240690a_100102631434_100000188618 [1,1,0,0,0,0|1,0,1]=4 803 B12R1.20 Cc1ccc(cc1)C(=O)N(C)C 527a_100102631434_100000188618 [1,1,0,0,0,0|1,0,1]=4 804 B12R1.20 Cc1ccc(cc1)C(C)N(C)C 2230a_100102631434_100011261388 [1,1,0,0,0,0|1,0,1]=4 805 B12R1.20 Cc1ccc(cc1)C(C)N(C)C 269982a_100102631434_100011261388 [1,1,0,0,0,0|1,0,1]=4 806 B12R1.20 Cc1ccc(cc1)N(C)C(C)C 2230a_100000219977_100000210206 [1,1,0,0,0,0|1,0,1]=4 807 B12R1.20 Cc1ccc(cc1)N(C)C(C)C 2230a_100000748792_200000210301 [1,1,0,0,0,0|1,0,1]=4 808 B12R1.20 Cc1ccc(cc1)N(C)C(C)C 269982a_100000219977_100000210206 [1,1,0,0,0,0|1,0,1]=4 809 B12R1.20 Cc1ccc(cc1)N(C)C(C)C 269982a_100000748792_200000210301 [1,1,0,0,0,0|1,0,1]=4 810 B12R1.20 Cc1ccc(cc1)N(C)C(C)C 34a_100000219977_100000210206 [1,1,0,0,0,0|1,0,1]=4 811 B12R1.20 Cc1ccc(cc1)N(C)C(C)C 34a_100000748792_200000210301 [1,1,0,0,0,0|1,0,1]=4 812 B12R1.20 Cc1ccc(cc1)N(C)C(C)C 7a_100000748792_200000210301 [1,1,0,0,0,0|1,0,1]=4 813 B12R1.20 Cc1ccc(cc1)N([13CH3])C(C)C 2230a_100000748792_200025704644 [1,1,0,0,0,0|1,0,1]=4 814 B12R1.20 Cc1ccc(cc1)N([13CH3])C(C)C 269982a_100000748792_200025704644 [1,1,0,0,0,0|1,0,1]=4 815 B12R1.20 Cc1ccc(cc1)N([13CH3])C(C)C 34a_100000748792_200025704644 [1,1,0,0,0,0|1,0,1]=4 816 B12R1.20 Cc1ccc(cc1)N([13CH3])C(C)C 7a_100000748792_200025704644 [1,1,0,0,0,0|1,0,1]=4 817 B12R1.34 C#CC(C)C(=O)c1ccccc1 1458a_100000185807_200000035995 [1,1,0,0,0,0|0,0,2]=4 818 B12R1.34 CC(C#N)C(=O)c1ccccc1 1458a_100000185807_100000703298 [1,1,0,0,0,0|0,0,2]=4 819 B12R1.34 CC(CO)N(C)c1ccccc1 2230a_100000210012_100012180447 [1,1,0,0,0,0|1,0,1]=4 820 B12R1.34 CC(CO)N(C)c1ccccc1 34a_100000210012_100012180447 [1,1,0,0,0,0|1,0,1]=4 821 B12R1.34 CC(S[13CH3])C(=O)c1ccccc1 62a_100000239700_200025704644 [1,1,0,0,0,0|0,0,1]=3 822 B12R1.34 CC(S[13CH3])C(=O)c1ccccc1 62a_200025704644_100000239700 [1,1,0,0,0,0|0,0,1]=3 823 B12R1.34 CC(c1ccccc1)N(C)CF 269982a_100000195388_100015361967 [1,1,0,0,0,0|1,0,1]=4 824 B12R1.34 CCC(C)C(=O)c1ccccc1 1458a_100000185807_100000758301 [1,1,0,0,0,0|0,0,1]=3 825 B12R1.34 CCC(C)N(C)c1ccccc1 2230a_100000210012_100000758301 [1,1,0,0,0,0|1,0,1]=4 826 B12R1.34 CCC(C)N(C)c1ccccc1 269982a_100000210012_100000758301 [1,1,0,0,0,0|1,0,1]=4 827 B12R1.34 CCC(C)N(C)c1ccccc1 34a_100000210012_100011215416 [1,1,0,0,0,0|1,0,1]=4 828 B12R1.34 CCN(C)C(=O)c1ccccc1 11a_100000225621_100000185807 [1,1,0,0,0,0|1,0,1]=4 829 B12R1.34 CCN(C)C(=O)c1ccccc1 1626a_100000225621_100000185807 [1,1,0,0,0,0|1,0,1]=4 830 B12R1.34 CCN(C)C(=O)c1ccccc1 240690a_100000225621_100000185807 [1,1,0,0,0,0|1,0,1]=4 831 B12R1.34 CCN(C)C(=O)c1ccccc1 527a_100000225621_100000185807 [1,1,0,0,0,0|1,0,1]=4 832 B12R1.34 CCN(C)C(C)c1ccccc1 2230a_100000195388_100000210202 [1,1,0,0,0,0|1,0,1]=4 833 B12R1.34 CCN(C)C(C)c1ccccc1 2230a_100000225621_100000230085 [1,1,0,0,0,0|1,0,1]=4 834 B12R1.34 CCN(C)C(C)c1ccccc1 269982a_100000195388_100000204670 [1,1,0,0,0,0|1,0,1]=4 835 B12R1.34 CCN(C)C(C)c1ccccc1 269982a_100000225621_100000230085 [1,1,0,0,0,0|1,0,1]=4 836 B12R1.34 CNC(C)C(=O)c1ccccc1 2230a_106832991635_100000239700 [1,1,0,0,0,0|0,0,1]=3 837 B12R1.34 CNC(C)C(=O)c1ccccc1 7a_106832991635_100000239700 [1,1,0,0,0,0|0,0,1]=3 838 B12R1.34 COC(C)N(C)c1ccccc1 269982a_100000210012_100009879195 [1,1,0,0,0,0|1,0,1]=4 839 B12R1.34 CO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_200000210301 [1,1,0,0,0,0|1,0,0]=3 840 B12R1.34 CSC(C)C(=O)c1ccccc1 62a_100000239700_200000210301 [1,1,0,0,0,0|0,0,1]=3 841 B12R1.34 CSC(C)C(=O)c1ccccc1 62a_200000210301_100000239700 [1,1,0,0,0,0|0,0,1]=3 842 B12R1.34 C[C@H](CO)N(C)c1ccccc1 269982a_100000210012_100016084084 [1,1,0,0,0,0|1,0,1]=4 843 B12R1.34 C[C@H](O[13CH3])[C@@H](N)c1ccccc1 34a_100134616770_200025704644 [1,1,0,0,0,0|1,0,0]=3 844 B12R1.124 CC(C)C(=O)c1ccccc1Br 1458a_100000188424_100000210206 [1,1,0,0,0,0|0,0,1]=3 845 B12R1.124 CC(C)C(=O)c1ccccc1Cl 1458a_100000185844_100000210206 [1,1,0,0,0,0|0,0,1]=3 846 B12R1.124 CC(C)C(=O)c1ccccc1F 1458a_100000188656_100000210206 [1,1,0,0,0,0|0,0,1]=3 847 B12R1.124 CC(C)C(=O)c1ccccc1I 1458a_100000187884_100000210206 [1,1,0,0,0,0|0,0,1]=3 848 B12R1.124 CC(C)C(=O)c1ccccc1O 1458a_100015234032_100000210206 [1,1,0,0,0,0|0,0,1]=3 849 B12R1.124 CC(C)C(=O)c1ccccc1[O-] 1458a_100009911694_100000210206 [1,1,0,0,0,0|0,0,1]=3 850 B12R1.124 CC(C)N(C)c1ccccc1Br 2230a_100020606079_100000210206 [1,1,0,0,0,0|1,0,1]=4 851 B12R1.124 CC(C)N(C)c1ccccc1Br 269982a_100000219599_200000210301 [1,1,0,0,0,0|1,0,1]=4 852 B12R1.124 CC(C)N(C)c1ccccc1Br 269982a_100020606079_100000210206 [1,1,0,0,0,0|1,0,1]=4 853 B12R1.124 CC(C)N(C)c1ccccc1Br 34a_100000219599_200000210301 [1,1,0,0,0,0|1,0,1]=4 854 B12R1.124 CC(C)N(C)c1ccccc1Br 34a_100020606079_100000210206 [1,1,0,0,0,0|1,0,1]=4 855 B12R1.124 CC(C)N(C)c1ccccc1Br 7a_100000219599_200000210301 [1,1,0,0,0,0|1,0,1]=4 856 B12R1.124 CC(C)N(C)c1ccccc1Cl 2230a_100000219374_100000210206 [1,1,0,0,0,0|1,0,1]=4 857 B12R1.124 CC(C)N(C)c1ccccc1Cl 269982a_100000219374_100000210206 [1,1,0,0,0,0|1,0,1]=4 858 B12R1.124 CC(C)N(C)c1ccccc1Cl 269982a_100000219376_200000210301 [1,1,0,0,0,0|1,0,1]=4 859 B12R1.124 CC(C)N(C)c1ccccc1Cl 34a_100000219374_100000210206 [1,1,0,0,0,0|1,0,1]=4 860 B12R1.124 CC(C)N(C)c1ccccc1Cl 34a_100000219376_200000210301 [1,1,0,0,0,0|1,0,1]=4 861 B12R1.124 CC(C)N(C)c1ccccc1Cl 7a_100000219376_200000210301 [1,1,0,0,0,0|1,0,1]=4 862 B12R1.124 CC(C)N(C)c1ccccc1F 2230a_100000220357_100000210206 [1,1,0,0,0,0|1,0,1]=4 863 B12R1.124 CC(C)N(C)c1ccccc1F 269982a_100000220357_100000210206 [1,1,0,0,0,0|1,0,1]=4 864 B12R1.124 CC(C)N(C)c1ccccc1F 269982a_100000220358_200000210301 [1,1,0,0,0,0|1,0,1]=4 865 B12R1.124 CC(C)N(C)c1ccccc1F 34a_100000220357_100000210206 [1,1,0,0,0,0|1,0,1]=4 866 B12R1.124 CC(C)N(C)c1ccccc1F 34a_100000220358_200000210301 [1,1,0,0,0,0|1,0,1]=4 867 B12R1.124 CC(C)N(C)c1ccccc1F 38a_100000220357_100000210206 [1,1,0,0,0,0|1,0,1]=4 868 B12R1.124 CC(C)N(C)c1ccccc1F 38a_100000220358_200000210301 [1,1,0,0,0,0|1,0,1]=4 869 B12R1.124 CC(C)N(C)c1ccccc1F 7a_100000220358_200000210301 [1,1,0,0,0,0|1,0,1]=4 870 B12R1.124 CC(C)N(C)c1ccccc1O 269982a_100000033821_100000210206 [1,1,0,0,0,0|1,0,1]=4 871 B12R1.124 CC(C)N([13CH3])c1ccccc1Br 269982a_100000219599_200025704644 [1,1,0,0,0,0|1,0,1]=4 872 B12R1.124 CC(C)N([13CH3])c1ccccc1Br 34a_100000219599_200025704644 [1,1,0,0,0,0|1,0,1]=4 873 B12R1.124 CC(C)N([13CH3])c1ccccc1Br 7a_100000219599_200025704644 [1,1,0,0,0,0|1,0,1]=4 874 B12R1.124 CC(C)N([13CH3])c1ccccc1Cl 269982a_100000219376_200025704644 [1,1,0,0,0,0|1,0,1]=4 875 B12R1.124 CC(C)N([13CH3])c1ccccc1Cl 34a_100000219376_200025704644 [1,1,0,0,0,0|1,0,1]=4 876 B12R1.124 CC(C)N([13CH3])c1ccccc1Cl 7a_100000219376_200025704644 [1,1,0,0,0,0|1,0,1]=4 877 B12R1.124 CC(C)N([13CH3])c1ccccc1F 269982a_100000220358_200025704644 [1,1,0,0,0,0|1,0,1]=4 878 B12R1.124 CC(C)N([13CH3])c1ccccc1F 34a_100000220358_200025704644 [1,1,0,0,0,0|1,0,1]=4 879 B12R1.124 CC(C)N([13CH3])c1ccccc1F 38a_100000220358_200025704644 [1,1,0,0,0,0|1,0,1]=4 880 B12R1.124 CC(C)N([13CH3])c1ccccc1F 7a_100000220358_200025704644 [1,1,0,0,0,0|1,0,1]=4 881 B12R1.124 CC(c1ccccc1Br)N(C)C 2230a_100000692418_200000210301 [1,1,0,0,0,0|1,0,1]=4 882 B12R1.124 CC(c1ccccc1Br)N(C)C 269982a_100000692418_200000210301 [1,1,0,0,0,0|1,0,1]=4 883 B12R1.124 CC(c1ccccc1Br)N(C)[13CH3] 2230a_100000692418_200025704644 [1,1,0,0,0,0|1,0,1]=4 884 B12R1.124 CC(c1ccccc1Br)N(C)[13CH3] 269982a_100000692418_200025704644 [1,1,0,0,0,0|1,0,1]=4 885 B12R1.124 CC(c1ccccc1Cl)N(C)C 2230a_100102631434_100000181259 [1,1,0,0,0,0|1,0,1]=4 886 B12R1.124 CC(c1ccccc1Cl)N(C)C 269982a_100102631434_100000181259 [1,1,0,0,0,0|1,0,1]=4 887 B12R1.124 CC(c1ccccc1F)N(C)C 2230a_100000231110_200000210301 [1,1,0,0,0,0|1,0,1]=4 888 B12R1.124 CC(c1ccccc1F)N(C)C 2230a_100102631434_200000741388 [1,1,0,0,0,0|1,0,1]=4 889 B12R1.124 CC(c1ccccc1F)N(C)C 269982a_100000231110_200000210301 [1,1,0,0,0,0|1,0,1]=4 890 B12R1.124 CC(c1ccccc1F)N(C)C 269982a_100102631434_200000741388 [1,1,0,0,0,0|1,0,1]=4 891 B12R1.124 CC(c1ccccc1F)N(C)C 34a_100000231110_200000210301 [1,1,0,0,0,0|1,0,1]=4 892 B12R1.124 CC(c1ccccc1F)N(C)[13CH3] 2230a_100000231110_200025704644 [1,1,0,0,0,0|1,0,1]=4 893 B12R1.124 CC(c1ccccc1F)N(C)[13CH3] 269982a_100000231110_200025704644 [1,1,0,0,0,0|1,0,1]=4 894 B12R1.124 CC(c1ccccc1F)N(C)[13CH3] 34a_100000231110_200025704644 [1,1,0,0,0,0|1,0,1]=4 895 B12R1.124 CN(C)C(=O)c1ccccc1Br 11a_100102631434_100000188424 [1,1,0,0,0,0|1,0,1]=4 896 B12R1.124 CN(C)C(=O)c1ccccc1Br 1626a_100102631434_100000188424 [1,1,0,0,0,0|1,0,1]=4 897 B12R1.124 CN(C)C(=O)c1ccccc1Br 240690a_100102631434_100000188424 [1,1,0,0,0,0|1,0,1]=4 898 B12R1.124 CN(C)C(=O)c1ccccc1Br 527a_100102631434_100000188424 [1,1,0,0,0,0|1,0,1]=4 899 B12R1.124 CN(C)C(=O)c1ccccc1Cl 11a_100102631434_100000185844 [1,1,0,0,0,0|1,0,1]=4 900 B12R1.124 CN(C)C(=O)c1ccccc1Cl 1626a_100102631434_100000185844 [1,1,0,0,0,0|1,0,1]=4 901 B12R1.124 CN(C)C(=O)c1ccccc1Cl 240690a_100102631434_100000185844 [1,1,0,0,0,0|1,0,1]=4 902 B12R1.124 CN(C)C(=O)c1ccccc1Cl 527a_100102631434_100000185844 [1,1,0,0,0,0|1,0,1]=4 903 B12R1.124 CN(C)C(=O)c1ccccc1F 11a_100102631434_100000188656 [1,1,0,0,0,0|1,0,1]=4 904 B12R1.124 CN(C)C(=O)c1ccccc1F 1626a_100102631434_100000188656 [1,1,0,0,0,0|1,0,1]=4 905 B12R1.124 CN(C)C(=O)c1ccccc1F 240690a_100102631434_100000188656 [1,1,0,0,0,0|1,0,1]=4 906 B12R1.124 CN(C)C(=O)c1ccccc1F 527a_100102631434_100000188656 [1,1,0,0,0,0|1,0,1]=4 907 B12R1.124 CN(C)C(=O)c1ccccc1I 11a_100102631434_100000187884 [1,1,0,0,0,0|1,0,1]=4 908 B12R1.124 CN(C)C(=O)c1ccccc1I 1626a_100102631434_100000187884 [1,1,0,0,0,0|1,0,1]=4 909 B12R1.124 CN(C)C(=O)c1ccccc1I 240690a_100102631434_100000187884 [1,1,0,0,0,0|1,0,1]=4 910 B12R1.124 CN(C)C(=O)c1ccccc1I 527a_100102631434_100000187884 [1,1,0,0,0,0|1,0,1]=4 911 B12R1.124 CN(C)C(=O)c1ccccc1O 240690a_100102631434_100015234032 [1,1,0,0,0,0|1,0,1]=4 912 B12R1.124 CN(C)C(=O)c1ccccc1O 271570a_203496583355_100000159526 [1,1,0,0,0,0|1,0,1]=4 913 B12R1.124 CN(C)C(=O)c1ccccc1[O-] 1626a_100102631434_100009911694 [1,1,0,0,0,0|1,0,1]=4 914 B12R1.124 CN(C)C(=O)c1ccccc1[O-] 240690a_100102631434_100009911694 [1,1,0,0,0,0|1,0,1]=4 915 B12R1.124 CN(C)C(=O)c1ccccc1[O-] 527a_100102631434_100009911694 [1,1,0,0,0,0|1,0,1]=4 916 B12R1.124 Cc1ccccc1C(=O)C(C)C 1458a_100000212026_100000210206 [1,1,0,0,0,0|0,0,1]=3 917 B12R1.124 Cc1ccccc1C(=O)N(C)C 11a_100102631434_100000212026 [1,1,0,0,0,0|1,0,1]=4 918 B12R1.124 Cc1ccccc1C(=O)N(C)C 1626a_100102631434_100000212026 [1,1,0,0,0,0|1,0,1]=4 919 B12R1.124 Cc1ccccc1C(=O)N(C)C 240690a_100102631434_100000212026 [1,1,0,0,0,0|1,0,1]=4 920 B12R1.124 Cc1ccccc1C(=O)N(C)C 527a_100102631434_100000212026 [1,1,0,0,0,0|1,0,1]=4 921 B12R1.124 Cc1ccccc1N(C)C(C)C 2230a_100000219699_100000210206 [1,1,0,0,0,0|1,0,1]=4 922 B12R1.124 Cc1ccccc1N(C)C(C)C 2230a_100000219700_200000210301 [1,1,0,0,0,0|1,0,1]=4 923 B12R1.124 Cc1ccccc1N(C)C(C)C 269982a_100000219699_100000210206 [1,1,0,0,0,0|1,0,1]=4 924 B12R1.124 Cc1ccccc1N(C)C(C)C 269982a_100000219700_200000210301 [1,1,0,0,0,0|1,0,1]=4 925 B12R1.124 Cc1ccccc1N(C)C(C)C 34a_100000219699_100000210206 [1,1,0,0,0,0|1,0,1]=4 926 B12R1.124 Cc1ccccc1N(C)C(C)C 34a_100000219700_200000210301 [1,1,0,0,0,0|1,0,1]=4 927 B12R1.124 Cc1ccccc1N(C)C(C)C 7a_100000219700_200000210301 [1,1,0,0,0,0|1,0,1]=4 928 B12R1.124 Cc1ccccc1N([13CH3])C(C)C 2230a_100000219700_200025704644 [1,1,0,0,0,0|1,0,1]=4 929 B12R1.124 Cc1ccccc1N([13CH3])C(C)C 269982a_100000219700_200025704644 [1,1,0,0,0,0|1,0,1]=4 930 B12R1.124 Cc1ccccc1N([13CH3])C(C)C 34a_100000219700_200025704644 [1,1,0,0,0,0|1,0,1]=4 931 B12R1.124 Cc1ccccc1N([13CH3])C(C)C 7a_100000219700_200025704644 [1,1,0,0,0,0|1,0,1]=4 932 B12R1.225 CC(C)C(=O)c1cccc(c1)Br 1458a_100000210664_100000210206 [1,1,0,0,0,0|0,0,1]=3 933 B12R1.225 CC(C)C(=O)c1cccc(c1)Cl 1458a_100000210390_100000210206 [1,1,0,0,0,0|0,0,1]=3 934 B12R1.225 CC(C)C(=O)c1cccc(c1)F 1458a_100000210950_100000210206 [1,1,0,0,0,0|0,0,1]=3 935 B12R1.225 CC(C)C(=O)c1cccc(c1)I 1458a_100000184098_100000210206 [1,1,0,0,0,0|0,0,1]=3 936 B12R1.225 CC(C)C(=O)c1cccc(c1)O 1458a_100000183914_100000210206 [1,1,0,0,0,0|0,0,1]=3 937 B12R1.225 CC(C)C(=O)c1cccc(c1)O 271570a_203496583355_100011350656 [1,1,0,0,0,0|0,0,1]=3 938 B12R1.225 CC(C)N(C)c1cccc(c1)Br 2230a_100000219648_100000210206 [1,1,0,0,0,0|1,0,1]=4 939 B12R1.225 CC(C)N(C)c1cccc(c1)Br 269982a_100000219648_100000210206 [1,1,0,0,0,0|1,0,1]=4 940 B12R1.225 CC(C)N(C)c1cccc(c1)Br 269982a_100000219649_200000210301 [1,1,0,0,0,0|1,0,1]=4 941 B12R1.225 CC(C)N(C)c1cccc(c1)Br 34a_100000219648_100000210206 [1,1,0,0,0,0|1,0,1]=4 942 B12R1.225 CC(C)N(C)c1cccc(c1)Br 34a_100000219649_200000210301 [1,1,0,0,0,0|1,0,1]=4 943 B12R1.225 CC(C)N(C)c1cccc(c1)Br 7a_100000219649_200000210301 [1,1,0,0,0,0|1,0,1]=4 944 B12R1.225 CC(C)N(C)c1cccc(c1)Cl 2230a_100000220044_100000210206 [1,1,0,0,0,0|1,0,1]=4 945 B12R1.225 CC(C)N(C)c1cccc(c1)Cl 269982a_100000220044_100000210206 [1,1,0,0,0,0|1,0,1]=4 946 B12R1.225 CC(C)N(C)c1cccc(c1)Cl 34a_100000220044_100000210206 [1,1,0,0,0,0|1,0,1]=4 947 B12R1.225 CC(C)N(C)c1cccc(c1)F 2230a_100000220071_200000210301 [1,1,0,0,0,0|1,0,1]=4 948 B12R1.225 CC(C)N(C)c1cccc(c1)F 2230a_100020633736_100000210206 [1,1,0,0,0,0|1,0,1]=4 949 B12R1.225 CC(C)N(C)c1cccc(c1)F 269982a_100000220071_200000210301 [1,1,0,0,0,0|1,0,1]=4 950 B12R1.225 CC(C)N(C)c1cccc(c1)F 269982a_100020633736_100000210206 [1,1,0,0,0,0|1,0,1]=4 951 B12R1.225 CC(C)N(C)c1cccc(c1)F 34a_100000220071_200000210301 [1,1,0,0,0,0|1,0,1]=4 952 B12R1.225 CC(C)N(C)c1cccc(c1)F 34a_100020633736_100000210206 [1,1,0,0,0,0|1,0,1]=4 953 B12R1.225 CC(C)N(C)c1cccc(c1)F 7a_100000220071_200000210301 [1,1,0,0,0,0|1,0,1]=4 954 B12R1.225 CC(C)N(C)c1cccc(c1)I 2230a_100000221217_100000210206 [1,1,0,0,0,0|1,0,1]=4 955 B12R1.225 CC(C)N(C)c1cccc(c1)I 269982a_100000221217_100000210206 [1,1,0,0,0,0|1,0,1]=4 956 B12R1.225 CC(C)N(C)c1cccc(c1)I 34a_100000221217_100000210206 [1,1,0,0,0,0|1,0,1]=4 957 B12R1.225 CC(C)N(C)c1cccc(c1)O 2230a_100000756613_100000210206 [1,1,0,0,0,0|1,0,1]=4 958 B12R1.225 CC(C)N(C)c1cccc(c1)O 269982a_100000756613_100000210206 [1,1,0,0,0,0|1,0,1]=4 959 B12R1.225 CC(C)N(C)c1cccc(c1)O 34a_100000756613_100000210206 [1,1,0,0,0,0|1,0,1]=4 960 B12R1.225 CC(C)N([13CH3])c1cccc(c1)Br 269982a_100000219649_200025704644 [1,1,0,0,0,0|1,0,1]=4 961 B12R1.225 CC(C)N([13CH3])c1cccc(c1)Br 34a_100000219649_200025704644 [1,1,0,0,0,0|1,0,1]=4 962 B12R1.225 CC(C)N([13CH3])c1cccc(c1)Br 7a_100000219649_200025704644 [1,1,0,0,0,0|1,0,1]=4 963 B12R1.225 CC(C)N([13CH3])c1cccc(c1)F 2230a_100000220071_200025704644 [1,1,0,0,0,0|1,0,1]=4 964 B12R1.225 CC(C)N([13CH3])c1cccc(c1)F 269982a_100000220071_200025704644 [1,1,0,0,0,0|1,0,1]=4 965 B12R1.225 CC(C)N([13CH3])c1cccc(c1)F 34a_100000220071_200025704644 [1,1,0,0,0,0|1,0,1]=4 966 B12R1.225 CC(C)N([13CH3])c1cccc(c1)F 7a_100000220071_200025704644 [1,1,0,0,0,0|1,0,1]=4 967 B12R1.225 CC(c1cccc(c1)Br)N(C)C 2230a_100025717457_200000210301 [1,1,0,0,0,0|1,0,1]=4 968 B12R1.225 CC(c1cccc(c1)Br)N(C)C 269982a_100025717457_200000210301 [1,1,0,0,0,0|1,0,1]=4 969 B12R1.225 CC(c1cccc(c1)Br)N(C)[13CH3] 2230a_100025717457_200025704644 [1,1,0,0,0,0|1,0,1]=4 970 B12R1.225 CC(c1cccc(c1)Br)N(C)[13CH3] 269982a_100025717457_200025704644 [1,1,0,0,0,0|1,0,1]=4 971 B12R1.225 CC(c1cccc(c1)F)N(C)C 2230a_100000231114_200000210301 [1,1,0,0,0,0|1,0,1]=4 972 B12R1.225 CC(c1cccc(c1)F)N(C)C 269982a_100000231114_200000210301 [1,1,0,0,0,0|1,0,1]=4 973 B12R1.225 CC(c1cccc(c1)F)N(C)C 34a_100000231114_200000210301 [1,1,0,0,0,0|1,0,1]=4 974 B12R1.225 CC(c1cccc(c1)F)N(C)[13CH3] 2230a_100000231114_200025704644 [1,1,0,0,0,0|1,0,1]=4 975 B12R1.225 CC(c1cccc(c1)F)N(C)[13CH3] 269982a_100000231114_200025704644 [1,1,0,0,0,0|1,0,1]=4 976 B12R1.225 CC(c1cccc(c1)F)N(C)[13CH3] 34a_100000231114_200025704644 [1,1,0,0,0,0|1,0,1]=4 977 B12R1.225 CN(C)C(=O)c1cccc(c1)Br 11a_100102631434_100000210664 [1,1,0,0,0,0|1,0,1]=4 978 B12R1.225 CN(C)C(=O)c1cccc(c1)Br 1626a_100102631434_100000210664 [1,1,0,0,0,0|1,0,1]=4 979 B12R1.225 CN(C)C(=O)c1cccc(c1)Br 240690a_100102631434_100000210664 [1,1,0,0,0,0|1,0,1]=4 980 B12R1.225 CN(C)C(=O)c1cccc(c1)Br 527a_100102631434_100000210664 [1,1,0,0,0,0|1,0,1]=4 981 B12R1.225 CN(C)C(=O)c1cccc(c1)Cl 11a_100102631434_100000210390 [1,1,0,0,0,0|1,0,1]=4 982 B12R1.225 CN(C)C(=O)c1cccc(c1)Cl 1626a_100102631434_100000210390 [1,1,0,0,0,0|1,0,1]=4 983 B12R1.225 CN(C)C(=O)c1cccc(c1)Cl 240690a_100102631434_100000210390 [1,1,0,0,0,0|1,0,1]=4 984 B12R1.225 CN(C)C(=O)c1cccc(c1)Cl 527a_100102631434_100000210390 [1,1,0,0,0,0|1,0,1]=4 985 B12R1.225 CN(C)C(=O)c1cccc(c1)F 11a_100102631434_100000210950 [1,1,0,0,0,0|1,0,1]=4 986 B12R1.225 CN(C)C(=O)c1cccc(c1)F 1626a_100102631434_100000210950 [1,1,0,0,0,0|1,0,1]=4 987 B12R1.225 CN(C)C(=O)c1cccc(c1)F 240690a_100102631434_100000210950 [1,1,0,0,0,0|1,0,1]=4 988 B12R1.225 CN(C)C(=O)c1cccc(c1)F 527a_100102631434_100000210950 [1,1,0,0,0,0|1,0,1]=4 989 B12R1.225 CN(C)C(=O)c1cccc(c1)I 11a_100102631434_100000184098 [1,1,0,0,0,0|1,0,1]=4 990 B12R1.225 CN(C)C(=O)c1cccc(c1)I 1626a_100102631434_100000184098 [1,1,0,0,0,0|1,0,1]=4 991 B12R1.225 CN(C)C(=O)c1cccc(c1)I 240690a_100102631434_100000184098 [1,1,0,0,0,0|1,0,1]=4 992 B12R1.225 CN(C)C(=O)c1cccc(c1)I 527a_100102631434_100000184098 [1,1,0,0,0,0|1,0,1]=4 993 B12R1.225 CN(C)C(=O)c1cccc(c1)O 240690a_100102631434_100000183914 [1,1,0,0,0,0|1,0,1]=4 994 B12R1.225 CN(C)C(=O)c1cccc(c1)O 271570a_203496583355_100000159571 [1,1,0,0,0,0|1,0,1]=4 995 B12R1.225 CN(C)C(=O)c1cccc(c1)O 527a_100102631434_100000183914 [1,1,0,0,0,0|1,0,1]=4 996 B12R1.225 Cc1cccc(c1)C(=O)C(C)C 1458a_100000189346_100000210206 [1,1,0,0,0,0|0,0,1]=3 997 B12R1.225 Cc1cccc(c1)C(=O)N(C)C 11a_100102631434_100000189346 [1,1,0,0,0,0|1,0,1]=4 998 B12R1.225 Cc1cccc(c1)C(=O)N(C)C 1626a_100102631434_100000189346 [1,1,0,0,0,0|1,0,1]=4 999 B12R1.225 Cc1cccc(c1)C(=O)N(C)C 240690a_100102631434_100000189346 [1,1,0,0,0,0|1,0,1]=4 1000 B12R1.225 Cc1cccc(c1)C(=O)N(C)C 527a_100102631434_100000189346 [1,1,0,0,0,0|1,0,1]=4 1001 B12R1.225 Cc1cccc(c1)N(C)C(C)C 2230a_100000219674_100000210206 [1,1,0,0,0,0|1,0,1]=4 1002 B12R1.225 Cc1cccc(c1)N(C)C(C)C 269982a_100000219674_100000210206 [1,1,0,0,0,0|1,0,1]=4 1003 B12R1.225 Cc1cccc(c1)N(C)C(C)C 34a_100000219674_100000210206 [1,1,0,0,0,0|1,0,1]=4 1004 B12R1.253 CN(C)C(C)(C)c1ccccc1 2230a_100102631434_100000034625 [1,1,0,0,0,0|1,0,1]=4 1005 B12R1.253 CN(C)C(C)(C)c1ccccc1 269982a_100102631434_100000034625 [1,1,0,0,0,0|1,0,1]=4 1006 B12R1.253 CN(C)C(F)(F)c1ccccc1 269982a_100102631434_100000036403 [1,1,0,0,0,0|2,0,0]=4 1007 B12R1.253 CN(C)S(=O)(=O)c1ccccc1 270084a_100102631434_100000210345 [1,1,0,0,0,0|2,0,0]=4 1008 B12R1.253 CN(C)S(=O)(=O)c1ccccc1 274078a_100102631434_100000210345 [1,1,0,0,0,0|2,0,0]=4 1009 B12R1.253 CN(C)S(=O)(=O)c1ccccc1 40a_100102631434_100000032697 [1,1,0,0,0,0|2,0,0]=4 1010 B12R1.564 CN(c1ccccc1)C(C)(C)C 269982a_100000210012_100000210625 [1,1,0,0,0,0|1,0,1]=4 1011 B12R1.564 CN(c1ccccc1)C(C)(C)C 34a_100000210012_100000210625 [1,1,0,0,0,0|1,0,1]=4 1012 B14R1.980 C=CCN(Cc1ccccc1)C(C)C 2230a_100000068392_100000210623 [0,1,0,0,0,1|2,0,0]=4 1013 B14R1.980 C=CCN(Cc1ccccc1)C(C)C 2230a_100000196212_100000210206 [0,1,0,0,0,1|2,0,0]=4 1014 B14R1.980 C=CCN(Cc1ccccc1)C(C)C 2230a_100000742772_100015291786 [0,1,0,0,0,1|2,0,0]=4 1015 B14R1.980 C=CCN(Cc1ccccc1)C(C)C 269982a_100000068392_100000210623 [0,1,0,0,0,1|2,0,0]=4 1016 B14R1.980 C=CCN(Cc1ccccc1)C(C)C 269982a_100000196212_100000210206 [0,1,0,0,0,1|2,0,0]=4 1017 B14R1.980 C=CCN(Cc1ccccc1)C(C)C 269982a_100000742772_100000211182 [0,1,0,0,0,1|2,0,0]=4 1018 B14R1.980 C=CCN(Cc1ccccc1)C(C)C 270004a_100000742772_100015611070 [0,1,0,0,0,1|2,0,0]=4 1019 B14R1.980 CC(C)N(CC=O)Cc1ccccc1 2230a_100000068392_200015260668 [0,1,0,0,0,1|1,0,0]=3 1020 B14R1.980 CC(C)N(CC=O)Cc1ccccc1 269982a_100000068392_200015260668 [0,1,0,0,0,1|1,0,0]=3 1021 B14R1.980 CC(C)N(CC=O)Cc1ccccn1 2230a_100000200191_200015260668 [0,1,0,0,0,1|2,0,0]=4 1022 B14R1.980 CC(C)N(CC=O)Cc1ccccn1 269982a_100000200191_200015260668 [0,1,0,0,0,1|2,0,0]=4 1023 B14R1.980 CC(C)N(CC=O)Cc1cccnc1 2230a_100000200193_200015260668 [0,1,0,0,0,1|2,0,0]=4 1024 B14R1.980 CC(C)N(CC=O)Cc1cccnc1 269982a_100000200193_200015260668 [0,1,0,0,0,1|2,0,0]=4 1025 B14R1.980 CCNC(Cc1ccccc1)C(C)C 270004a_100015525214_200000703227 [0,1,0,0,0,1|1,0,1]=4 1026 B14R1.1031 COC(=O)C(C=O)Nc1ccccc1 34a_100000106764_100000046368 [0,1,0,0,0,1|1,0,1]=4 1027 B14R1.1031 COC(=O)C(C=O)Oc1ccccc1 34a_100000210340_100000046368 [0,1,0,0,0,1|1,0,1]=4 1028 B14R1.1031 COC(=O)C(C=O)Sc1ccccc1 62a_100000046368_100000041952 [0,1,0,0,0,1|1,0,1]=4 1029 B14R1.1031 COC(=O)C(C=O)Sc1ccccc1 62a_100000719477_100000046368 [0,1,0,0,0,1|1,0,1]=4 1030 B14R1.4513 CC(=O)C(Sc1ccccc1)C(=O)C 62a_100000210371_100000041952 [0,1,0,0,0,1|1,0,1]=4 1031 B14R1.4513 CC(=O)C(Sc1ccccc1)C(=O)C 62a_100000719477_100000210371 [0,1,0,0,0,1|1,0,1]=4 1032 B14R1.4513 CC(=O)C(Sc1ccccc1)C(C)C 1458a_100000750438_200000210301 [0,1,0,0,0,1|0,0,0]=2 1033 B14R1.4513 CC(=O)N(Cc1ccccc1)C(C)C 11a_100000068392_100015343762 [0,1,0,0,0,1|1,0,0]=3 1034 B14R1.4513 CC(=O)N(Cc1ccccc1)C(C)C 1626a_100000068392_100015343762 [0,1,0,0,0,1|1,0,0]=3 1035 B14R1.4513 CC(=O)N(Cc1ccccc1)C(C)C 240690a_100000068392_100015343762 [0,1,0,0,0,1|1,0,0]=3 1036 B14R1.4513 CC(=O)N(Cc1ccccn1)C(C)C 11a_100000200191_100015343762 [0,1,0,0,0,1|2,0,0]=4 1037 B14R1.4513 CC(=O)N(Cc1ccccn1)C(C)C 1626a_100000200191_100015343762 [0,1,0,0,0,1|2,0,0]=4 1038 B14R1.4513 CC(=O)N(Cc1ccccn1)C(C)C 240690a_100000200191_100015343762 [0,1,0,0,0,1|2,0,0]=4 1039 B14R1.4513 CC(=O)N(Cc1cccnc1)C(C)C 11a_100000200193_100015343762 [0,1,0,0,0,1|2,0,0]=4 1040 B14R1.4513 CC(=O)N(Cc1cccnc1)C(C)C 1626a_100000200193_100015343762 [0,1,0,0,0,1|2,0,0]=4 1041 B14R1.4513 CC(=O)N(Cc1cccnc1)C(C)C 240690a_100000200193_100015343762 [0,1,0,0,0,1|2,0,0]=4 1042 B14R1.4513 CC(=O)[C@H](Cc1ccccc1)N(C)C 1458a_102495365803_200000210301 [0,1,0,0,0,1|1,0,0]=3 1043 B14R1.4513 CC(C)C(Cc1ccccc1)N(C)C 270004a_100102631434_200000703227 [0,1,0,0,0,1|2,0,0]=4 1044 B14R1.4513 CC(C)C(Nc1ccccc1)C(=O)N 34a_100000106764_100000230017 [0,1,0,0,0,1|0,0,0]=2 1045 B14R1.4513 CC(C)C(Oc1ccccc1)C(=O)N 34a_100000210340_100000230017 [0,1,0,0,0,1|0,0,0]=2 1046 B14R1.4513 CC(C)C(Oc1ccccc1)C(=O)N 7a_100000210340_100000230017 [0,1,0,0,0,1|0,0,0]=2 1047 B14R1.4513 CC(C)C(Oc1cccnc1)C(=O)N 34a_100000210849_100000230017 [0,1,0,0,0,1|1,0,0]=3 1048 B14R1.4513 CC(C)C(Oc1cccnc1)C(=O)N 7a_100000210849_100000230017 [0,1,0,0,0,1|1,0,0]=3 1049 B14R1.4513 CC(C)C(Oc1ccncc1)C(=O)N 34a_100000212176_100000230017 [0,1,0,0,0,1|1,0,0]=3 1050 B14R1.4513 CC(C)C(Oc1ccnnc1)C(=O)N 34a_100015204005_100000230017 [0,1,0,0,0,1|2,0,0]=4 1051 B14R1.4513 CC(C)C(Oc1cncnc1)C(=O)N 7a_100000754086_100000230017 [0,1,0,0,0,1|2,0,0]=4 1052 B14R1.4513 CC(C)C(Sc1ccccc1)C(=O)N 62a_100000230017_100000041952 [0,1,0,0,0,1|0,0,0]=2 1053 B14R1.4513 CC(C)C(Sc1ccccc1)C(=O)N 62a_100000719477_100000230017 [0,1,0,0,0,1|0,0,0]=2 1054 B14R1.4513 CC(C)C(Sc1ccccc1)C(=O)[13CH3] 1458a_100000750438_200025704644 [0,1,0,0,0,1|0,0,0]=2 1055 B14R1.4513 CC(C)C(Sc1ccccn1)C(=O)N 62a_100000230017_100011216584 [0,1,0,0,0,1|1,0,0]=3 1056 B14R1.4513 CC(C)C(Sc1ccccn1)C(=O)N 62a_100011216584_100000230017 [0,1,0,0,0,1|1,0,0]=3 1057 B14R1.4513 CC(C)C(Sc1cccnc1)C(=O)N 62a_100000210063_100000230017 [0,1,0,0,0,1|1,0,0]=3 1058 B14R1.4513 CC(C)C(Sc1cccnc1)C(=O)N 62a_100000230017_100000210063 [0,1,0,0,0,1|1,0,0]=3 1059 B14R1.4513 CC(C)C(Sc1cccnn1)C(=O)N 62a_100000230017_100016991348 [0,1,0,0,0,1|2,0,0]=4 1060 B14R1.4513 CC(C)C(Sc1cccnn1)C(=O)N 62a_100016991348_100000230017 [0,1,0,0,0,1|2,0,0]=4 1061 B14R1.4513 CC(C)C(Sc1ccncc1)C(=O)N 62a_100000230017_100000728582 [0,1,0,0,0,1|1,0,0]=3 1062 B14R1.4513 CC(C)C(Sc1ccncc1)C(=O)N 62a_100000728582_100000230017 [0,1,0,0,0,1|1,0,0]=3 1063 B14R1.4513 CC(C)C(Sc1ccncn1)C(=O)N 62a_100000230017_100000703185 [0,1,0,0,0,1|2,0,0]=4 1064 B14R1.4513 CC(C)C(Sc1ccncn1)C(=O)N 62a_100000703185_100000230017 [0,1,0,0,0,1|2,0,0]=4 1065 B14R1.4513 CC(C)C(Sc1ccnnc1)C(=O)N 62a_100000230017_100000732662 [0,1,0,0,0,1|2,0,0]=4 1066 B14R1.4513 CC(C)C(Sc1ccnnc1)C(=O)N 62a_100000732662_100000230017 [0,1,0,0,0,1|2,0,0]=4 1067 B14R1.4513 CC(C)C(Sc1cnccn1)C(=O)N 62a_100000211759_100000230017 [0,1,0,0,0,1|2,0,0]=4 1068 B14R1.4513 CC(C)C(Sc1cnccn1)C(=O)N 62a_100000230017_100000211759 [0,1,0,0,0,1|2,0,0]=4 1069 B14R1.4513 CC(C)C(Sc1cncnc1)C(=O)N 62a_100000230017_100011206942 [0,1,0,0,0,1|2,0,0]=4 1070 B14R1.4513 CC(C)C(Sc1cncnc1)C(=O)N 62a_100011206942_100000230017 [0,1,0,0,0,1|2,0,0]=4 1071 B14R1.4513 CC(C)C(Sc1ncccn1)C(=O)N 62a_100000211032_100000230017 [0,1,0,0,0,1|2,0,0]=4 1072 B14R1.4513 CC(C)C(Sc1ncccn1)C(=O)N 62a_100000230017_100000211032 [0,1,0,0,0,1|2,0,0]=4 1073 B14R1.4513 CC(C)[C@H](Nc1cccnn1)C(=O)N 27a_100000119348_100016991348 [0,1,0,0,0,1|2,0,0]=4 1074 B14R1.4513 CC(C)[C@H](Nc1ccncn1)C(=O)N 27a_100000119348_100000703185 [0,1,0,0,0,1|2,0,0]=4 1075 B14R1.4513 CC(C)[C@H](Nc1cnccn1)C(=O)N 27a_100000119348_100000211759 [0,1,0,0,0,1|2,0,0]=4 1076 B14R1.4513 CC(C)[C@H](Nc1ncccn1)C(=O)N 27a_100000119348_100000211032 [0,1,0,0,0,1|2,0,0]=4 1077 B14R1.4513 CN(C)[C@@H](Cc1ccccc1)C(=O)[13CH3] 1458a_102495365803_200025704644 [0,1,0,0,0,1|1,0,0]=3 1078 B14R1.515 C=CCC(OC(C)C)c1ccccc1 34a_100000687291_100000210206 [0,1,0,0,0,1|1,0,0]=3 1079 B14R1.515 C=CCC(OC(C)C)c1ccccc1 7a_100000687291_100000210206 [0,1,0,0,0,1|1,0,0]=3 1080 B14R1.515 C=CCN(CC(C)C)c1ccccc1 2230a_100000211662_100000210760 [0,1,0,0,0,1|2,0,0]=4 1081 B14R1.515 C=CCN(CC(C)C)c1ccccc1 269982a_100000211662_100000210624 [0,1,0,0,0,1|2,0,0]=4 1082 B14R1.515 C=CCN(CC(C)C)c1ccccc1 34a_100000211662_100000210624 [0,1,0,0,0,1|2,0,0]=4 1083 B14R1.515 CC(C)NC(CCCl)c1ccccc1 2230a_100138425928_200010132975 [0,1,0,0,0,1|1,0,1]=4 1084 B14R1.515 CC(C)N[C@@H](CCO)c1ccccc1 2230a_100025705951_100000210206 [0,1,0,0,0,1|0,0,2]=4 1085 B14R1.515 CC(C)N[C@@H](CO[13CH3])c1ccccc1 34a_100011416727_200025704644 [0,1,0,0,0,1|0,0,2]=4 1086 B14R1.515 CC(C)N[C@@H](CO[13CH3])c1ccccc1 7a_100011416727_200025704644 [0,1,0,0,0,1|0,0,2]=4 1087 B14R1.515 CC(C)OC(CCN)c1ccccc1 34a_100000763605_100000210206 [0,1,0,0,0,1|1,0,1]=4 1088 B14R1.515 CC(C)O[C@H](CC#N)c1ccccc1 7a_100009817555_100000210206 [0,1,0,0,0,1|1,0,1]=4 1089 B14R1.515 CC(C)O[C@H](CCCl)c1ccccc1 34a_100000729684_100000210206 [0,1,0,0,0,1|1,0,1]=4 1090 B14R1.515 CC(C)O[C@H](CCCl)c1ccccc1 7a_100000729684_100000210206 [0,1,0,0,0,1|1,0,1]=4 1091 B14R1.515 CC(C)SC(CCCl)c1ccccc1 62a_100000210206_200010132975 [0,1,0,0,0,1|1,0,1]=4 1092 B14R1.515 CC(C)SC(CCCl)c1ccccc1 62a_200010132975_100000210206 [0,1,0,0,0,1|1,0,1]=4 1093 B14R1.515 CCCC(NC(C)C)c1ccccc1 2230a_100000189686_100000210206 [0,1,0,0,0,1|1,0,1]=4 1094 B14R1.515 CCCC(NC(C)C)c1ccccc1 34a_100000189686_100000210206 [0,1,0,0,0,1|1,0,1]=4 1095 B14R1.515 CCCC(OC(C)C)c1ccccc1 34a_100000747916_100000210206 [0,1,0,0,0,1|1,0,1]=4 1096 B14R1.515 CCCC(OC(C)C)c1ccccc1 7a_100000747916_100000210206 [0,1,0,0,0,1|1,0,1]=4 1097 B14R1.515 CCNC(CC(C)C)c1ccccc1 269862a_100015525214_100000211545 [0,1,0,0,0,1|1,0,1]=4 1098 B14R1.515 CCN[C@@H](CC(C)C)c1ccccc1 2230a_100016987908_100000210202 [0,1,0,0,0,1|1,0,1]=4 1099 B14R1.515 COC[C@@H](NC(C)C)c1ccccc1 2230a_103619048568_100000210206 [0,1,0,0,0,1|0,0,2]=4 1100 B14R1.515 COC[C@@H](NC(C)C)c1ccccc1 34a_103619048568_100000210206 [0,1,0,0,0,1|0,0,2]=4 1101 B14R1.515 COC[C@H](NC(C)C)c1ccccc1 34a_100011416727_200000210301 [0,1,0,0,0,1|0,0,2]=4 1102 B14R1.515 COC[C@H](NC(C)C)c1ccccc1 7a_100011416727_200000210301 [0,1,0,0,0,1|0,0,2]=4 1103 B14R1.544 C#CC(OC(C)(C)C)c1ccccc1 34a_100011219616_100000210625 [0,1,0,0,0,1|1,0,1]=4 1104 B14R1.544 C=CC(NC(C)(C)C)c1ccccc1 2230a_100000715429_200000085779 [0,1,0,0,0,1|1,0,0]=3 1105 B14R1.544 C=CC(OC(C)(C)C)c1ccccc1 34a_100011215659_100000210625 [0,1,0,0,0,1|1,0,0]=3 1106 B14R1.544 C=CC(SC(C)(C)C)c1ccccc1 62a_100000211941_200000085779 [0,1,0,0,0,1|1,0,0]=3 1107 B14R1.544 C=CC(SC(C)(C)C)c1ccccc1 62a_200000085779_100000211941 [0,1,0,0,0,1|1,0,0]=3 1108 B14R1.544 CC(C)(C)N[C@H](CO)c1ccccc1 34a_100000751927_100000210625 [0,1,0,0,0,1|0,0,2]=4 1109 B14R1.544 CC(C)(C)OC(CN)c1ccccc1 34a_100000210709_100000210625 [0,1,0,0,0,1|1,0,1]=4 1110 B14R1.544 CC(C)(C)O[C@H](CCl)c1ccccc1 34a_100011933945_100000210625 [0,1,0,0,0,1|1,0,1]=4 1111 B14R1.544 CCC(OC(C)(C)C)c1ccccc1 34a_100000698172_100000210625 [0,1,0,0,0,1|1,0,1]=4 1112 B14R1.1019 C#CC(OC(C)C)c1ccc(cc1)Cl 34a_100011470666_100000210206 [0,1,0,0,0,1|1,0,1]=4 1113 B14R1.1019 C#CC(OC(C)C)c1ccc(cc1)Cl 7a_100011470666_100000210206 [0,1,0,0,0,1|1,0,1]=4 1114 B14R1.1019 CC(C)NC(C#N)c1ccc(cc1)Cl 2230a_100000747793_100000210206 [0,1,0,0,0,1|1,0,1]=4 1115 B14R1.1019 CC(C)NC(C#N)c1ccc(cc1)F 2230a_100020612109_100000210206 [0,1,0,0,0,1|1,0,1]=4 1116 B14R1.1019 CC(C)NC(C#N)c1ccc(cc1)F 34a_100020612109_100000210206 [0,1,0,0,0,1|1,0,1]=4 1117 B14R1.1019 CC(C)NC(CO)c1ccc(cc1)Br 2230a_100000734186_100000210206 [0,1,0,0,0,1|0,0,2]=4 1118 B14R1.1019 CC(C)NC(CO)c1ccc(cc1)Br 34a_100000734186_100000210206 [0,1,0,0,0,1|0,0,2]=4 1119 B14R1.1019 CC(C)NC(CO)c1ccc(cc1)F 2230a_100000705410_100000210206 [0,1,0,0,0,1|0,0,2]=4 1120 B14R1.1019 CC(C)NC(CO)c1ccc(cc1)F 34a_100000705410_100000210206 [0,1,0,0,0,1|0,0,2]=4 1121 B14R1.1019 CC(C)N[C@H](CO)c1ccc(cc1)Cl 2230a_100009818818_100000210206 [0,1,0,0,0,1|0,0,2]=4 1122 B14R1.1019 CC(C)N[C@H](CO)c1ccc(cc1)Cl 34a_100009818818_100000210206 [0,1,0,0,0,1|0,0,2]=4 1123 B14R1.1019 CC(C)OC(CCl)c1ccc(cc1)Cl 34a_200011996143_100000210206 [0,1,0,0,0,1|1,0,1]=4 1124 B14R1.1019 CC(C)OC(CCl)c1ccc(cc1)Cl 7a_200011996143_100000210206 [0,1,0,0,0,1|1,0,1]=4 1125 B14R1.1019 CC(C)OC(CN)c1ccc(cc1)Br 34a_100020626992_100000210206 [0,1,0,0,0,1|1,0,1]=4 1126 B14R1.1019 CC(C)OC(CN)c1ccc(cc1)Cl 34a_100000736658_100000210206 [0,1,0,0,0,1|1,0,1]=4 1127 B14R1.1019 CC(C)O[C@@H](CCl)c1ccc(cc1)F 34a_100000720402_100000210206 [0,1,0,0,0,1|1,0,1]=4 1128 B14R1.1019 CC(C)O[C@@H](CCl)c1ccc(cc1)F 7a_100000720402_100000210206 [0,1,0,0,0,1|1,0,1]=4 1129 B14R1.1019 CCC(NC(C)C)c1ccc(cc1)C 2230a_100000749201_100000210206 [0,1,0,0,0,1|1,0,1]=4 1130 B14R1.1019 CCC(NC(C)C)c1ccc(cc1)C 34a_100000749201_100000210206 [0,1,0,0,0,1|1,0,1]=4 1131 B14R1.1019 CCC(NC(C)C)c1ccc(cc1)F 2230a_100011191751_100000210206 [0,1,0,0,0,1|1,0,1]=4 1132 B14R1.1019 CCC(NC(C)C)c1ccc(cc1)F 34a_100011191751_100000210206 [0,1,0,0,0,1|1,0,1]=4 1133 B14R1.1019 CCC(NC(C)C)c1ccc(cc1)O 34a_100015187210_100000210206 [0,1,0,0,0,1|1,0,1]=4 1134 B14R1.1019 CCC(OC(C)C)c1ccc(cc1)Br 34a_100000246506_100000210206 [0,1,0,0,0,1|1,0,1]=4 1135 B14R1.1019 CCC(OC(C)C)c1ccc(cc1)Br 7a_100000246506_100000210206 [0,1,0,0,0,1|1,0,1]=4 1136 B14R1.1019 CCC(OC(C)C)c1ccc(cc1)C 34a_100000246521_100000210206 [0,1,0,0,0,1|1,0,1]=4 1137 B14R1.1019 CCC(OC(C)C)c1ccc(cc1)C 7a_100000246521_100000210206 [0,1,0,0,0,1|1,0,1]=4 1138 B14R1.1019 CCC(OC(C)C)c1ccc(cc1)Cl 34a_100000246471_100000210206 [0,1,0,0,0,1|1,0,1]=4 1139 B14R1.1019 CCC(OC(C)C)c1ccc(cc1)Cl 7a_100000246471_100000210206 [0,1,0,0,0,1|1,0,1]=4 1140 B14R1.1019 CCC(OC(C)C)c1ccc(cc1)F 34a_100000246474_100000210206 [0,1,0,0,0,1|1,0,1]=4 1141 B14R1.1019 CCC(OC(C)C)c1ccc(cc1)F 7a_100000246474_100000210206 [0,1,0,0,0,1|1,0,1]=4 1142 B14R1.1019 CC[C@H](NC(C)C)c1ccc(cc1)Br 2230a_100025736560_100000210206 [0,1,0,0,0,1|1,0,1]=4 1143 B14R1.1019 CC[C@H](NC(C)C)c1ccc(cc1)Br 34a_100025736560_100000210206 [0,1,0,0,0,1|1,0,1]=4 1144 B14R1.1019 CC[C@H](NC(C)C)c1ccc(cc1)Cl 2230a_100015186824_100000210206 [0,1,0,0,0,1|1,0,1]=4 1145 B14R1.1019 CC[C@H](NC(C)C)c1ccc(cc1)Cl 34a_100015186824_100000210206 [0,1,0,0,0,1|1,0,1]=4 1146 B14R1.1019 CNC(CC(C)C)c1ccc(cc1)C 2230a_100015202709_200000210301 [0,1,0,0,0,1|2,0,0]=4 1147 B14R1.1019 CNC(CC(C)C)c1ccc(cc1)C 34a_100015202709_200000210301 [0,1,0,0,0,1|2,0,0]=4 1148 B14R1.1019 Cc1ccc(cc1)C(CC(C)C)N[13CH3] 2230a_100015202709_200025704644 [0,1,0,0,0,1|2,0,0]=4 1149 B14R1.1019 Cc1ccc(cc1)C(CC(C)C)N[13CH3] 34a_100015202709_200025704644 [0,1,0,0,0,1|2,0,0]=4 1150 B14R1.1019 Cc1ccc(cc1)[C@H](C#N)OC(C)C 34a_200009814964_100000210206 [0,1,0,0,0,1|1,0,1]=4 1151 B14R1.1019 Cc1ccc(cc1)[C@H](C#N)OC(C)C 7a_200009814964_100000210206 [0,1,0,0,0,1|1,0,1]=4 1152 B14R1.1019 Cc1ccc(cc1)[C@H](CO)NC(C)C 2230a_100009818840_100000210206 [0,1,0,0,0,1|0,0,2]=4 1153 B14R1.1019 Cc1ccc(cc1)[C@H](CO)NC(C)C 34a_100009818840_100000210206 [0,1,0,0,0,1|0,0,2]=4 1154 B14R1.1020 CC(C)NC(CO)c1cccc(c1)Br 2230a_100000690078_100000210206 [0,1,0,0,0,1|0,0,2]=4 1155 B14R1.1020 CC(C)NC(CO)c1cccc(c1)Br 34a_100000690078_100000210206 [0,1,0,0,0,1|0,0,2]=4 1156 B14R1.1020 CC(C)NC(CO)c1cccc(c1)O 2230a_100025717460_100000210206 [0,1,0,0,0,1|0,0,2]=4 1157 B14R1.1020 CC(C)NC(CO)c1cccc(c1)O 34a_100025717460_100000210206 [0,1,0,0,0,1|0,0,2]=4 1158 B14R1.1020 CC(C)N[C@@H](CO)c1cccc(c1)Cl 2230a_100032004910_100000210206 [0,1,0,0,0,1|0,0,2]=4 1159 B14R1.1020 CC(C)N[C@@H](CO)c1cccc(c1)Cl 34a_100032004910_100000210206 [0,1,0,0,0,1|0,0,2]=4 1160 B14R1.1020 CC(C)N[C@H](CO)c1cccc(c1)F 2230a_100020641251_100000210206 [0,1,0,0,0,1|0,0,2]=4 1161 B14R1.1020 CC(C)N[C@H](CO)c1cccc(c1)F 34a_100020641251_100000210206 [0,1,0,0,0,1|0,0,2]=4 1162 B14R1.1020 CCC(NC(C)C)c1cccc(c1)Cl 2230a_100000737531_100000210206 [0,1,0,0,0,1|1,0,1]=4 1163 B14R1.1020 CCC(NC(C)C)c1cccc(c1)Cl 34a_100000737531_100000210206 [0,1,0,0,0,1|1,0,1]=4 1164 B14R1.1020 CCC(NC(C)C)c1cccc(c1)F 2230a_100159265421_100000210206 [0,1,0,0,0,1|1,0,1]=4 1165 B14R1.1020 CCC(NC(C)C)c1cccc(c1)F 34a_100159265421_100000210206 [0,1,0,0,0,1|1,0,1]=4 1166 B14R1.1020 CCC(NC(C)C)c1cccc(c1)O 2230a_100159312145_100000210206 [0,1,0,0,0,1|1,0,1]=4 1167 B14R1.1020 CCC(NC(C)C)c1cccc(c1)O 34a_100159312145_100000210206 [0,1,0,0,0,1|1,0,1]=4 1168 B14R1.1020 CCC(OC(C)C)c1cccc(c1)Cl 34a_100000766619_100000210206 [0,1,0,0,0,1|1,0,1]=4 1169 B14R1.1020 CCC(OC(C)C)c1cccc(c1)Cl 7a_100000766619_100000210206 [0,1,0,0,0,1|1,0,1]=4 1170 B14R1.1020 CCC(OC(C)C)c1cccc(c1)F 34a_100011350881_100000210206 [0,1,0,0,0,1|1,0,1]=4 1171 B14R1.1020 CCC(OC(C)C)c1cccc(c1)F 7a_100011350881_100000210206 [0,1,0,0,0,1|1,0,1]=4 1172 B14R1.1020 CCC(OC(C)C)c1cccc(c1)I 34a_200013212081_100000210206 [0,1,0,0,0,1|1,0,1]=4 1173 B14R1.1020 CCC(OC(C)C)c1cccc(c1)I 7a_200013212081_100000210206 [0,1,0,0,0,1|1,0,1]=4 1174 B14R1.1020 CC[C@@H](NC(C)C)c1cccc(c1)C 2230a_200016991486_100000210206 [0,1,0,0,0,1|1,0,1]=4 1175 B14R1.1020 CC[C@@H](NC(C)C)c1cccc(c1)C 34a_200016991486_100000210206 [0,1,0,0,0,1|1,0,1]=4 1176 B14R1.1020 CC[C@H](NC(C)C)c1cccc(c1)Br 2230a_100102422761_100000210206 [0,1,0,0,0,1|1,0,1]=4 1177 B14R1.1020 CC[C@H](NC(C)C)c1cccc(c1)Br 34a_100102422761_100000210206 [0,1,0,0,0,1|1,0,1]=4 1178 B14R1.1020 CNC(CC(C)C)c1cccc(c1)Br 269862a_106832991636_100000723889 [0,1,0,0,0,1|2,0,0]=4 1179 B14R1.1020 Cc1cccc(c1)[C@@H](CO)NC(C)C 2230a_100009818812_100000210206 [0,1,0,0,0,1|0,0,2]=4 1180 B14R1.1020 Cc1cccc(c1)[C@@H](CO)NC(C)C 34a_100009818812_100000210206 [0,1,0,0,0,1|0,0,2]=4 1181 B14R1.1027 C=CC(c1ccccc1)N(C)C(C)C 269982a_200000211004_200000085779 [0,1,0,0,0,1|1,0,0]=3 1182 B14R1.1027 CC(C)C(=O)C(CO)c1ccccc1 1458a_100011218805_100000210206 [0,1,0,0,0,1|0,0,2]=4 1183 B14R1.1027 CC(C)N(C)[C@@H](CO)c1ccccc1 269982a_100011416727_200000210301 [0,1,0,0,0,1|0,0,2]=4 1184 B14R1.1027 CC(C)N([13CH3])[C@@H](CO)c1ccccc1 269982a_100011416727_200025704644 [0,1,0,0,0,1|0,0,2]=4 1185 B14R1.1027 CCC(C(=O)C(C)C)c1ccccc1 1458a_100000211302_100000210206 [0,1,0,0,0,1|1,0,1]=4 1186 B14R1.1027 CCC(c1ccccc1)N(C)C(C)C 2230a_100000737544_100000210206 [0,1,0,0,0,1|1,0,1]=4 1187 B14R1.1027 CCC(c1ccccc1)N(C)C(C)C 269982a_100000712692_200000210301 [0,1,0,0,0,1|1,0,1]=4 1188 B14R1.1027 CCC(c1ccccc1)N(C)C(C)C 269982a_100000737544_100000210206 [0,1,0,0,0,1|1,0,1]=4 1189 B14R1.1027 CCC(c1ccccc1)N([13CH3])C(C)C 269982a_100000712692_200025704644 [0,1,0,0,0,1|1,0,1]=4 1190 B14R1.1027 CO[C@@H](C(=O)C(C)C)c1ccccc1 1458a_100000698336_100000210206 [0,1,0,0,0,1|2,0,0]=4 1191 B14R1.3297 C#CC(C)NC(C=C)c1ccccc1 2230a_100000707721_200000085779 [0,1,0,0,0,1|1,0,1]=4 1192 B14R1.3297 C#CC(C)OC(C=C)c1ccccc1 34a_100011215659_200000035995 [0,1,0,0,0,1|1,0,1]=4 1193 B14R1.3297 C#CC(C)SC(C=C)c1ccccc1 62a_200000035995_200000085779 [0,1,0,0,0,1|1,0,1]=4 1194 B14R1.3297 C#CC(OC(C)CC)c1ccccc1 34a_100011219616_100011215416 [0,1,0,0,0,1|1,0,1]=4 1195 B14R1.3297 C#CC(OC(C)CC)c1ccccc1 7a_100011219616_100000758301 [0,1,0,0,0,1|1,0,1]=4 1196 B14R1.3297 C#CC(OC(C)CO)c1ccccc1 34a_100011219616_100012180447 [0,1,0,0,0,1|1,0,1]=4 1197 B14R1.3297 C#CC(OC(C)CO)c1ccccc1 7a_100011219616_100012180447 [0,1,0,0,0,1|1,0,1]=4 1198 B14R1.3297 C=CC(C)SC(C=C)c1ccccc1 62a_100011215867_200000085779 [0,1,0,0,0,1|1,0,1]=4 1199 B14R1.3297 C=CC(NC(C)C#N)c1ccccc1 2230a_100000737613_200000085779 [0,1,0,0,0,1|1,0,1]=4 1200 B14R1.3297 C=CC(NC(C)CC)c1ccccc1 2230a_100000209981_200000085779 [0,1,0,0,0,1|1,0,0]=3 1201 B14R1.3297 C=CC(N[C@H](C)CO)c1ccccc1 2230a_100000737577_200000085779 [0,1,0,0,0,1|1,0,0]=3 1202 B14R1.3297 C=CC(OC(C)C#N)c1ccccc1 7a_100011215659_100000703298 [0,1,0,0,0,1|1,0,1]=4 1203 B14R1.3297 C=CC(OC(C)CC)c1ccccc1 34a_100011215659_100011215416 [0,1,0,0,0,1|1,0,0]=3 1204 B14R1.3297 C=CC(OC(C)CC)c1ccccc1 7a_100011215659_100000758301 [0,1,0,0,0,1|1,0,0]=3 1205 B14R1.3297 C=CC(OC(C)CO)c1ccccc1 34a_100011215659_100012180447 [0,1,0,0,0,1|1,0,0]=3 1206 B14R1.3297 C=CC(OC(C)CO)c1ccccc1 7a_100011215659_100012180447 [0,1,0,0,0,1|1,0,0]=3 1207 B14R1.3297 C=CC(SC(C)C#N)c1ccccc1 62a_100000703298_200000085779 [0,1,0,0,0,1|1,0,1]=4 1208 B14R1.3297 C=CC(SC(C)C#N)c1ccccc1 62a_200000085779_100000703298 [0,1,0,0,0,1|1,0,1]=4 1209 B14R1.3297 C=CC(SC(C)CC)c1ccccc1 62a_100000758301_200000085779 [0,1,0,0,0,1|1,0,0]=3 1210 B14R1.3297 C=CC(SC(C)CC)c1ccccc1 62a_200000085779_100000758301 [0,1,0,0,0,1|1,0,0]=3 1211 B14R1.3297 C=CC(SC(C)CO)c1ccccc1 62a_100012180447_200000085779 [0,1,0,0,0,1|1,0,0]=3 1212 B14R1.3297 C=CC(SC(C)OC)c1ccccc1 62a_100009879195_200000085779 [0,1,0,0,0,1|1,0,0]=3 1213 B14R1.3297 C=CC(SC(C)OC)c1ccccc1 62a_200000085779_100009879195 [0,1,0,0,0,1|1,0,0]=3 1214 B14R1.3297 C=CC(S[C@H](C)CO)c1ccccc1 62a_100016084084_200000085779 [0,1,0,0,0,1|1,0,0]=3 1215 B14R1.3297 C=CC(S[C@H](C)CO)c1ccccc1 62a_200000085779_100016084084 [0,1,0,0,0,1|1,0,0]=3 1216 B14R1.3297 CC(CO)N[C@H](CO)c1ccccc1 2230a_100000751927_100012180447 [0,1,0,0,0,1|0,0,2]=4 1217 B14R1.3297 CC(CO)N[C@H](CO)c1ccccc1 34a_100000751927_100012180447 [0,1,0,0,0,1|0,0,2]=4 1218 B14R1.3297 CC(CO)OC(C#N)c1ccccc1 7a_100011217353_100012180447 [0,1,0,0,0,1|1,0,1]=4 1219 B14R1.3297 CC(CO)OC(CBr)c1ccccc1 7a_100000185958_100012180447 [0,1,0,0,0,1|1,0,1]=4 1220 B14R1.3297 CC(CO)OC(CN)c1ccccc1 34a_100000210709_100012180447 [0,1,0,0,0,1|1,0,1]=4 1221 B14R1.3297 CC(CO)O[C@H](CCl)c1ccccc1 34a_100011933945_100012180447 [0,1,0,0,0,1|1,0,1]=4 1222 B14R1.3297 CC(CO)O[C@H](CCl)c1ccccc1 7a_100011933945_100012180447 [0,1,0,0,0,1|1,0,1]=4 1223 B14R1.3297 CCC(C)NC(CC)c1ccccc1 2230a_100000737752_100000758301 [0,1,0,0,0,1|1,0,1]=4 1224 B14R1.3297 CCC(C)NC(CC)c1ccccc1 269862a_100000209981_100000210124 [0,1,0,0,0,1|1,0,1]=4 1225 B14R1.3297 CCC(C)N[C@H](CO)c1ccccc1 2230a_100000751927_100000758301 [0,1,0,0,0,1|0,0,2]=4 1226 B14R1.3297 CCC(C)N[C@H](CO)c1ccccc1 34a_100000751927_100011215416 [0,1,0,0,0,1|0,0,2]=4 1227 B14R1.3297 CCC(C)OC(C#N)c1ccccc1 7a_100011217353_100000758301 [0,1,0,0,0,1|1,0,1]=4 1228 B14R1.3297 CCC(C)OC(CBr)c1ccccc1 7a_100000185958_100000758301 [0,1,0,0,0,1|1,0,1]=4 1229 B14R1.3297 CCC(C)OC(CC)c1ccccc1 34a_100000698172_100011215416 [0,1,0,0,0,1|1,0,1]=4 1230 B14R1.3297 CCC(C)OC(CC)c1ccccc1 7a_100000698172_100000758301 [0,1,0,0,0,1|1,0,1]=4 1231 B14R1.3297 CCC(C)OC(CN)c1ccccc1 34a_100000210709_100011215416 [0,1,0,0,0,1|1,0,1]=4 1232 B14R1.3297 CCC(C)O[C@H](CCl)c1ccccc1 34a_100011933945_100011215416 [0,1,0,0,0,1|1,0,1]=4 1233 B14R1.3297 CCC(C)O[C@H](CCl)c1ccccc1 7a_100011933945_100000758301 [0,1,0,0,0,1|1,0,1]=4 1234 B14R1.3297 CCC(NC(C)CO)c1ccccc1 2230a_100000737752_100012180447 [0,1,0,0,0,1|1,0,1]=4 1235 B14R1.3297 CCC(N[C@H](C)CF)c1ccccc1 269862a_100102880703_100000210124 [0,1,0,0,0,1|1,0,1]=4 1236 B14R1.3297 CCC(N[C@H](C)CO)c1ccccc1 269862a_100000737577_100000210124 [0,1,0,0,0,1|1,0,1]=4 1237 B14R1.3297 CCC(OC(C)CO)c1ccccc1 34a_100000698172_100012180447 [0,1,0,0,0,1|1,0,1]=4 1238 B14R1.3297 CCC(OC(C)CO)c1ccccc1 7a_100000698172_100012180447 [0,1,0,0,0,1|1,0,1]=4 1239 B14R1.3642 C#CC(C)(OC(C)C)c1ccccc1 34a_100000198054_100000210206 [0,1,0,0,0,1|1,0,1]=4 1240 B14R1.3642 C#CC(C)(OC(C)C)c1ccccc1 7a_100000198054_100000210206 [0,1,0,0,0,1|1,0,1]=4 1241 B14R1.3642 CC(C)SC(F)(C#N)c1ccccc1 62a_100000210206_200000117376 [0,1,0,0,0,1|1,0,1]=4 1242 B14R1.3642 CC(C)SC(F)(C#N)c1ccccc1 62a_200000117376_100000210206 [0,1,0,0,0,1|1,0,1]=4 1243 B14R1.3642 CCC(C)(OC(C)C)c1ccccc1 7a_100000748282_100000210206 [0,1,0,0,0,1|1,0,1]=4 1244 B14R1.6455 C=C(C)C(OC(C)C)c1ccccc1 34a_200011216824_100000210206 [0,1,0,0,0,1|1,0,0]=3 1245 B14R1.6455 C=C(C)C(OC(C)C)c1ccccc1 7a_200011216824_100000210206 [0,1,0,0,0,1|1,0,0]=3 1246 B14R1.6455 CC(=O)C(NC(C)C)c1ccccc1 2230a_100138425928_100009888967 [0,1,0,0,0,1|0,0,0]=2 1247 B14R1.6455 CC(=O)C(SC(C)C)c1ccccc1 62a_100000210206_100009888967 [0,1,0,0,0,1|0,0,0]=2 1248 B14R1.6455 CC(=O)C(SC(C)C)c1ccccc1 62a_100009888967_100000210206 [0,1,0,0,0,1|0,0,0]=2 1249 B14R1.6455 CC(=O)NC(C(=O)C)c1ccccc1 1458a_100000195599_200000210301 [0,1,0,0,0,1|1,0,1]=4 1250 B14R1.6455 CC(=O)NC(C(=O)[13CH3])c1ccccc1 1458a_100000195599_200025704644 [0,1,0,0,0,1|1,0,1]=4 1251 B14R1.6455 CC(=O)N[C@@H](C(=O)N)c1ccccc1 11a_100011423151_100015343762 [0,1,0,0,0,1|1,0,1]=4 1252 B14R1.6455 CC(=O)N[C@@H](C(=O)N)c1ccccc1 1626a_100011423151_100015343762 [0,1,0,0,0,1|1,0,1]=4 1253 B14R1.6455 CC(=O)N[C@@H](C(=O)N)c1ccccc1 240690a_100011423151_100015343762 [0,1,0,0,0,1|1,0,1]=4 1254 B14R1.6455 CC(=O)N[C@@H](C(=O)N)c1ccccc1 527a_100011423151_100103153847 [0,1,0,0,0,1|1,0,1]=4 1255 B14R1.6455 CC(=O)O[C@@H](C(=O)C)c1ccccc1 1458a_100016990227_200000210301 [0,1,0,0,0,1|1,0,1]=4 1256 B14R1.6455 CC(=O)O[C@@H](C(=O)[13CH3])c1ccccc1 1458a_100016990227_200025704644 [0,1,0,0,0,1|1,0,1]=4 1257 B14R1.6455 CC(C)NC(C(=O)N)c1ccccc1 2230a_100138425928_100000188848 [0,1,0,0,0,1|0,0,0]=2 1258 B14R1.6455 CC(C)NC(C(=O)O)c1ccccc1 269956a_100000230147_100000210206 [0,1,0,0,0,1|0,0,0]=2 1259 B14R1.6455 CC(C)NC(C(=O)O)c1ccccn1 269956a_200016167988_100000210206 [0,1,0,0,0,1|1,0,0]=3 1260 B14R1.6455 CC(C)N[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_100000210206 [0,1,0,0,0,1|0,0,0]=2 1261 B14R1.6455 CC(C)N[C@@H](C(=O)O)C1=CCC=CC1 269956a_100016989015_100000210206 [0,1,0,0,0,1|0,0,2]=4 1262 B14R1.6455 CC(C)N[C@@H](c1ccccc1)[C@H](C)O 2230a_100134616770_100000210206 [0,1,0,0,0,1|0,0,2]=4 1263 B14R1.6455 CC(C)N[C@H](c1ccccc1)C(C)C 2230a_100015186014_100000210206 [0,1,0,0,0,1|1,0,1]=4 1264 B14R1.6455 CC(C)N[C@H](c1ccccc1)C(C)C 34a_100015186014_100000210206 [0,1,0,0,0,1|1,0,1]=4 1265 B14R1.6455 CC(C)OC(C(=O)N)c1ccccc1 34a_100011200849_100000210206 [0,1,0,0,0,1|0,0,0]=2 1266 B14R1.6455 CC(C)OC(C(=O)N)c1ccccc1 7a_100011200849_100000210206 [0,1,0,0,0,1|0,0,0]=2 1267 B14R1.6455 CC(C)OC(c1ccccc1)C(C)C 34a_200011217822_100000210206 [0,1,0,0,0,1|1,0,1]=4 1268 B14R1.6455 CC(C)OC(c1ccccc1)C(C)C 7a_200011217822_100000210206 [0,1,0,0,0,1|1,0,1]=4 1269 B14R1.6455 CC(C)SC(C(=O)N)c1ccccc1 62a_100000188848_100000210206 [0,1,0,0,0,1|0,0,0]=2 1270 B14R1.6455 CC(C)SC(C(=O)N)c1ccccc1 62a_100000210206_100000188848 [0,1,0,0,0,1|0,0,0]=2 1271 B14R1.6474 CC(C)NC(CO)c1ccccc1Cl 2230a_100138412506_100000210206 [0,1,0,0,0,1|0,0,2]=4 1272 B14R1.6474 CC(C)NC(CO)c1ccccc1Cl 34a_100138412506_100000210206 [0,1,0,0,0,1|0,0,2]=4 1273 B14R1.6474 CC(C)N[C@@H](CO)c1ccccc1F 2230a_100009818778_100000210206 [0,1,0,0,0,1|0,0,2]=4 1274 B14R1.6474 CC(C)N[C@@H](CO)c1ccccc1F 34a_100009818778_100000210206 [0,1,0,0,0,1|0,0,2]=4 1275 B14R1.6474 CC(C)N[C@H](CO)c1ccccc1Br 2230a_100161155918_100000210206 [0,1,0,0,0,1|0,0,2]=4 1276 B14R1.6474 CC(C)N[C@H](CO)c1ccccc1Br 34a_100161155918_100000210206 [0,1,0,0,0,1|0,0,2]=4 1277 B14R1.6474 CC(C)OC(C#N)c1ccccc1Cl 7a_200011294979_100000210206 [0,1,0,0,0,1|1,0,1]=4 1278 B14R1.6474 CC(C)OC(CN)c1ccccc1Br 34a_100011236429_100000210206 [0,1,0,0,0,1|1,0,1]=4 1279 B14R1.6474 CC(C)OC(CN)c1ccccc1Cl 34a_200000759403_100000210206 [0,1,0,0,0,1|1,0,1]=4 1280 B14R1.6474 CC(C)SC(C#N)c1ccccc1Br 62a_100000210206_200011581958 [0,1,0,0,0,1|1,0,1]=4 1281 B14R1.6474 CC(C)SC(C#N)c1ccccc1Br 62a_200011581958_100000210206 [0,1,0,0,0,1|1,0,1]=4 1282 B14R1.6474 CCC(OC(C)C)c1ccccc1F 34a_200011689290_100000210206 [0,1,0,0,0,1|1,0,1]=4 1283 B14R1.6474 CCC(OC(C)C)c1ccccc1F 7a_200011689290_100000210206 [0,1,0,0,0,1|1,0,1]=4 1284 B14R1.6474 CC[C@H](NC(C)C)c1ccccc1Cl 2230a_200016987949_100000210206 [0,1,0,0,0,1|1,0,1]=4 1285 B14R1.6474 CC[C@H](NC(C)C)c1ccccc1Cl 34a_200016987949_100000210206 [0,1,0,0,0,1|1,0,1]=4 1286 B14R1.6474 CC[C@H](NC(C)C)c1ccccc1F 2230a_100015190424_100000210206 [0,1,0,0,0,1|1,0,1]=4 1287 B14R1.6474 CC[C@H](NC(C)C)c1ccccc1F 34a_100015190424_100000210206 [0,1,0,0,0,1|1,0,1]=4 1288 B14R1.6474 Cc1ccccc1C(C#N)NC(C)C 2230a_102495364774_100000210206 [0,1,0,0,0,1|1,0,1]=4 1289 B14R1.178 C#CCN[C@H](c1ccccc1)C(C)C 2230a_100015186014_100000038162 [0,2,0,0,0,0|1,0,1]=4 1290 B14R1.178 C#CCN[C@H](c1ccccc1)C(C)C 34a_100015186014_100000184674 [0,2,0,0,0,0|1,0,1]=4 1291 B14R1.178 C#CCOC(c1ccccc1)C(C)C 34a_200011217822_100000184674 [0,2,0,0,0,0|1,0,1]=4 1292 B14R1.178 C#CCOC(c1ccccc1)C(C)C 7a_200011217822_100000038162 [0,2,0,0,0,0|1,0,1]=4 1293 B14R1.178 C/C=C/CN(c1ccccc1)C(C)C 269982a_100000210572_100102629194 [0,2,0,0,0,0|2,0,0]=4 1294 B14R1.178 C/C=C/CN(c1ccccc1)C(C)C 34a_100000210572_100102629194 [0,2,0,0,0,0|2,0,0]=4 1295 B14R1.178 C/C=C/CN(c1ccccc1)C(C)C 7a_100000210572_100102629194 [0,2,0,0,0,0|2,0,0]=4 1296 B14R1.178 C=C(C)C(OCC=O)c1ccccc1 34a_200011216824_200009817547 [0,2,0,0,0,0|0,0,2]=4 1297 B14R1.178 C=C(C)C(OCC=O)c1ccccc1 7a_200011216824_200015260668 [0,2,0,0,0,0|0,0,2]=4 1298 B14R1.178 C=CCCN(c1ccccc1)C(C)C 2230a_100000210572_100000754431 [0,2,0,0,0,0|2,0,0]=4 1299 B14R1.178 C=CCCN(c1ccccc1)C(C)C 269982a_100000210572_100000754431 [0,2,0,0,0,0|2,0,0]=4 1300 B14R1.178 C=CCCN(c1ccccc1)C(C)C 34a_100000210572_100000754431 [0,2,0,0,0,0|2,0,0]=4 1301 B14R1.178 C=CCCN(c1ccccc1)C(C)C 7a_100000210572_100000754431 [0,2,0,0,0,0|2,0,0]=4 1302 B14R1.178 C=CCNC(c1ccccn1)C(C)C 2230a_100015183375_100000210623 [0,2,0,0,0,0|2,0,0]=4 1303 B14R1.178 C=CCNC(c1cccnc1)C(C)C 2230a_100015185317_100000210623 [0,2,0,0,0,0|2,0,0]=4 1304 B14R1.178 C=CCNC(c1ccncc1)C(C)C 2230a_100000755331_100000210623 [0,2,0,0,0,0|2,0,0]=4 1305 B14R1.178 C=CCN[C@@H](c1ccccc1)[C@H](C)O 2230a_100134616770_100000210623 [0,2,0,0,0,0|2,0,0]=4 1306 B14R1.178 C=CCN[C@H](c1ccccc1)C(C)C 2230a_100015186014_100000210623 [0,2,0,0,0,0|1,0,0]=3 1307 B14R1.178 C=CCN[C@H](c1ccccc1)C(C)C 34a_100015186014_100015514636 [0,2,0,0,0,0|1,0,0]=3 1308 B14R1.178 C=CCOC(c1ccccc1)C(C)C 34a_200011217822_100015514636 [0,2,0,0,0,0|1,0,0]=3 1309 B14R1.178 C=CCOC(c1ccccc1)C(C)C 7a_200011217822_100015514636 [0,2,0,0,0,0|1,0,0]=3 1310 B14R1.178 CC(=O)C(SCC=O)c1ccccc1 62a_100009888967_200015260668 [0,2,0,0,0,0|1,0,1]=4 1311 B14R1.178 CC(=O)C(SCC=O)c1ccccc1 62a_200015260668_100009888967 [0,2,0,0,0,0|1,0,1]=4 1312 B14R1.178 CC(C)C(NCC=O)c1ccccn1 2230a_100015183375_200015260668 [0,2,0,0,0,0|1,0,0]=3 1313 B14R1.178 CC(C)C(NCC=O)c1cccnc1 2230a_100015185317_200015260668 [0,2,0,0,0,0|1,0,0]=3 1314 B14R1.178 CC(C)C(NCC=O)c1ccncc1 2230a_100000755331_200015260668 [0,2,0,0,0,0|1,0,0]=3 1315 B14R1.178 CC(C)C(OCC#N)c1ccccc1 7a_200011217822_100011215382 [0,2,0,0,0,0|1,0,1]=4 1316 B14R1.178 CC(C)C(OCC=O)c1ccccc1 34a_200011217822_200009817547 [0,2,0,0,0,0|0,0,0]=2 1317 B14R1.178 CC(C)C(OCC=O)c1ccccc1 7a_200011217822_200015260668 [0,2,0,0,0,0|0,0,0]=2 1318 B14R1.178 CC(C)C(OCCF)c1ccccc1 34a_200011217822_100011217306 [0,2,0,0,0,0|1,0,1]=4 1319 B14R1.178 CC(C)C(OCCF)c1ccccc1 7a_200011217822_100011217306 [0,2,0,0,0,0|1,0,1]=4 1320 B14R1.178 CC(C)C(OCCO)c1ccccc1 34a_200011217822_100000211926 [0,2,0,0,0,0|0,0,2]=4 1321 B14R1.178 CC(C)C(OCCO)c1ccccc1 7a_200011217822_100000211926 [0,2,0,0,0,0|0,0,2]=4 1322 B14R1.178 CC(C)[C@H](CNCF)c1ccccc1 34a_200009885855_100015361967 [0,2,0,0,0,0|1,0,1]=4 1323 B14R1.178 CC(C)[C@H](NCC#N)c1ccccc1 2230a_100015186014_100011215382 [0,2,0,0,0,0|1,0,1]=4 1324 B14R1.178 CC(C)[C@H](NCC=O)c1ccccc1 2230a_100015186014_200015260668 [0,2,0,0,0,0|0,0,0]=2 1325 B14R1.178 CC(C)[C@H](NCC=O)c1ccccc1 34a_100015186014_200009817547 [0,2,0,0,0,0|0,0,0]=2 1326 B14R1.178 CC(C)[C@H](NCCF)c1ccccc1 2230a_100015186014_100011217306 [0,2,0,0,0,0|1,0,1]=4 1327 B14R1.178 CC(C)[C@H](NCCF)c1ccccc1 34a_100015186014_100011217306 [0,2,0,0,0,0|1,0,1]=4 1328 B14R1.178 CC(C)[C@H](NCCO)c1ccccc1 2230a_100015186014_100000211926 [0,2,0,0,0,0|0,0,2]=4 1329 B14R1.178 CC(C)[C@H](NCCO)c1ccccc1 34a_100015186014_100000211926 [0,2,0,0,0,0|0,0,2]=4 1330 B14R1.178 CC=CCN(c1ccccc1)C(C)C 2230a_100000210572_100000070051 [0,2,0,0,0,0|2,0,0]=4 1331 B14R1.178 CC=CCN(c1ccccc1)C(C)C 34a_100000210572_100000070051 [0,2,0,0,0,0|2,0,0]=4 1332 B14R1.178 CC=CCN(c1ccccc1)C(C)C 7a_100000210572_100000070051 [0,2,0,0,0,0|2,0,0]=4 1333 B14R1.178 CCCN[C@H](c1ccccc1)C(C)C 2230a_100015186014_100000210303 [0,2,0,0,0,0|1,0,1]=4 1334 B14R1.178 CCCN[C@H](c1ccccc1)C(C)C 34a_100015186014_100000210303 [0,2,0,0,0,0|1,0,1]=4 1335 B14R1.178 CCCOC(c1ccccc1)C(C)C 34a_200011217822_100000210303 [0,2,0,0,0,0|1,0,1]=4 1336 B14R1.178 CCCOC(c1ccccc1)C(C)C 7a_200011217822_100000210303 [0,2,0,0,0,0|1,0,1]=4 1337 B14R1.178 CCNC[C@H](c1ccccc1)C(C)C 2230a_200009885855_100000210202 [0,2,0,0,0,0|1,0,1]=4 1338 B14R1.178 CCNC[C@H](c1ccccc1)C(C)C 34a_200009885855_100000210202 [0,2,0,0,0,0|1,0,1]=4 1339 B14R1.178 COCN[C@H](c1ccccc1)C(C)C 2230a_100015186014_100000766300 [0,2,0,0,0,0|0,0,2]=4 1340 B14R1.178 CSCN[C@H](c1ccccc1)C(C)C 2230a_100015186014_100011218213 [0,2,0,0,0,0|0,1,1]=4 1341 B14R1.178 CSCN[C@H](c1ccccc1)C(C)C 34a_100015186014_100011218213 [0,2,0,0,0,0|0,1,1]=4 1342 B14R1.178 CSCOC(c1ccccc1)C(C)C 34a_200011217822_100011218213 [0,2,0,0,0,0|0,1,1]=4 1343 B14R1.178 C[C@H](O)[C@@H](NCC=O)c1ccccc1 2230a_100134616770_200015260668 [0,2,0,0,0,0|1,0,0]=3 1344 B14R1.508 C=CCN(c1ccc(cc1)Br)C(C)C 2230a_100000219625_100000210623 [0,2,0,0,0,0|2,0,0]=4 1345 B14R1.508 C=CCN(c1ccc(cc1)Br)C(C)C 269982a_100000219625_100000210623 [0,2,0,0,0,0|2,0,0]=4 1346 B14R1.508 C=CCN(c1ccc(cc1)Br)C(C)C 34a_100000219625_100015514636 [0,2,0,0,0,0|2,0,0]=4 1347 B14R1.508 C=CCN(c1ccc(cc1)Br)C(C)C 7a_100000219625_100015514636 [0,2,0,0,0,0|2,0,0]=4 1348 B14R1.508 C=CCN(c1ccc(cc1)C)C(C)C 2230a_100000748792_100000210623 [0,2,0,0,0,0|2,0,0]=4 1349 B14R1.508 C=CCN(c1ccc(cc1)C)C(C)C 269982a_100000748792_100000210623 [0,2,0,0,0,0|2,0,0]=4 1350 B14R1.508 C=CCN(c1ccc(cc1)C)C(C)C 34a_100000748792_100015514636 [0,2,0,0,0,0|2,0,0]=4 1351 B14R1.508 C=CCN(c1ccc(cc1)C)C(C)C 7a_100000748792_100015514636 [0,2,0,0,0,0|2,0,0]=4 1352 B14R1.508 C=CCN(c1ccc(cc1)Cl)C(C)C 2230a_100000749197_100000210623 [0,2,0,0,0,0|2,0,0]=4 1353 B14R1.508 C=CCN(c1ccc(cc1)Cl)C(C)C 269982a_100000749197_100000210623 [0,2,0,0,0,0|2,0,0]=4 1354 B14R1.508 C=CCN(c1ccc(cc1)Cl)C(C)C 34a_100000749197_100015514636 [0,2,0,0,0,0|2,0,0]=4 1355 B14R1.508 C=CCN(c1ccc(cc1)Cl)C(C)C 7a_100000749197_100015514636 [0,2,0,0,0,0|2,0,0]=4 1356 B14R1.508 C=CCN(c1ccc(cc1)F)C(C)C 2230a_100000219830_100000210623 [0,2,0,0,0,0|2,0,0]=4 1357 B14R1.508 C=CCN(c1ccc(cc1)F)C(C)C 269982a_100000219830_100000210623 [0,2,0,0,0,0|2,0,0]=4 1358 B14R1.508 C=CCN(c1ccc(cc1)F)C(C)C 34a_100000219830_100015514636 [0,2,0,0,0,0|2,0,0]=4 1359 B14R1.508 C=CCN(c1ccc(cc1)F)C(C)C 7a_100000219830_100015514636 [0,2,0,0,0,0|2,0,0]=4 1360 B14R1.508 CC(C)C(NCF)c1ccc(cc1)Cl 34a_100015204473_100015361967 [0,2,0,0,0,0|1,0,1]=4 1361 B14R1.508 CC(C)N(CC=O)c1ccc(cc1)Br 2230a_100000219625_200015260668 [0,2,0,0,0,0|1,0,0]=3 1362 B14R1.508 CC(C)N(CC=O)c1ccc(cc1)Br 269982a_100000219625_200015260668 [0,2,0,0,0,0|1,0,0]=3 1363 B14R1.508 CC(C)N(CC=O)c1ccc(cc1)Br 34a_100000219625_200009817547 [0,2,0,0,0,0|1,0,0]=3 1364 B14R1.508 CC(C)N(CC=O)c1ccc(cc1)Br 7a_100000219625_200015260668 [0,2,0,0,0,0|1,0,0]=3 1365 B14R1.508 CC(C)N(CC=O)c1ccc(cc1)Cl 2230a_100000749197_200015260668 [0,2,0,0,0,0|1,0,0]=3 1366 B14R1.508 CC(C)N(CC=O)c1ccc(cc1)Cl 269982a_100000749197_200015260668 [0,2,0,0,0,0|1,0,0]=3 1367 B14R1.508 CC(C)N(CC=O)c1ccc(cc1)Cl 34a_100000749197_200009817547 [0,2,0,0,0,0|1,0,0]=3 1368 B14R1.508 CC(C)N(CC=O)c1ccc(cc1)Cl 7a_100000749197_200015260668 [0,2,0,0,0,0|1,0,0]=3 1369 B14R1.508 CC(C)N(CC=O)c1ccc(cc1)F 2230a_100000219830_200015260668 [0,2,0,0,0,0|1,0,0]=3 1370 B14R1.508 CC(C)N(CC=O)c1ccc(cc1)F 269982a_100000219830_200015260668 [0,2,0,0,0,0|1,0,0]=3 1371 B14R1.508 CC(C)N(CC=O)c1ccc(cc1)F 34a_100000219830_200009817547 [0,2,0,0,0,0|1,0,0]=3 1372 B14R1.508 CC(C)N(CC=O)c1ccc(cc1)F 7a_100000219830_200015260668 [0,2,0,0,0,0|1,0,0]=3 1373 B14R1.508 CC(C)[C@H](NCF)c1ccc(cc1)Br 34a_100102422763_100015361967 [0,2,0,0,0,0|1,0,1]=4 1374 B14R1.508 CCNC(c1ccc(cc1)Br)C(C)C 269862a_100015525214_100011220430 [0,2,0,0,0,0|1,0,1]=4 1375 B14R1.508 CCNC(c1ccc(cc1)Cl)C(C)C 2230a_100015204473_100000210202 [0,2,0,0,0,0|1,0,1]=4 1376 B14R1.508 CCNC(c1ccc(cc1)Cl)C(C)C 269862a_100015525214_100000742363 [0,2,0,0,0,0|1,0,1]=4 1377 B14R1.508 CCNC(c1ccc(cc1)Cl)C(C)C 34a_100015204473_100000210202 [0,2,0,0,0,0|1,0,1]=4 1378 B14R1.508 CCNC(c1ccc(cc1)F)C(C)C 269862a_100015525214_100011218555 [0,2,0,0,0,0|1,0,1]=4 1379 B14R1.508 CCN[C@H](c1ccc(cc1)Br)C(C)C 2230a_100102422763_100000210202 [0,2,0,0,0,0|1,0,1]=4 1380 B14R1.508 CCN[C@H](c1ccc(cc1)Br)C(C)C 34a_100102422763_100000210202 [0,2,0,0,0,0|1,0,1]=4 1381 B14R1.508 CCN[C@H](c1ccc(cc1)C)C(C)C 2230a_100020633675_100000210202 [0,2,0,0,0,0|1,0,1]=4 1382 B14R1.508 CCN[C@H](c1ccc(cc1)C)C(C)C 34a_100020633675_100000210202 [0,2,0,0,0,0|1,0,1]=4 1383 B14R1.508 Cc1ccc(cc1)N(CC=O)C(C)C 2230a_100000748792_200015260668 [0,2,0,0,0,0|1,0,0]=3 1384 B14R1.508 Cc1ccc(cc1)N(CC=O)C(C)C 269982a_100000748792_200015260668 [0,2,0,0,0,0|1,0,0]=3 1385 B14R1.508 Cc1ccc(cc1)N(CC=O)C(C)C 34a_100000748792_200009817547 [0,2,0,0,0,0|1,0,0]=3 1386 B14R1.508 Cc1ccc(cc1)N(CC=O)C(C)C 7a_100000748792_200015260668 [0,2,0,0,0,0|1,0,0]=3 1387 B14R1.508 Cc1ccc(cc1)[C@@H](NCF)C(C)C 34a_100020633675_100015361967 [0,2,0,0,0,0|1,0,1]=4 1388 B14R1.518 C=CCN(c1cccc(c1)Br)C(C)C 269982a_100000219649_100000210623 [0,2,0,0,0,0|2,0,0]=4 1389 B14R1.518 C=CCN(c1cccc(c1)Br)C(C)C 34a_100000219649_100015514636 [0,2,0,0,0,0|2,0,0]=4 1390 B14R1.518 C=CCN(c1cccc(c1)Br)C(C)C 7a_100000219649_100015514636 [0,2,0,0,0,0|2,0,0]=4 1391 B14R1.518 C=CCN(c1cccc(c1)F)C(C)C 2230a_100000220071_100000210623 [0,2,0,0,0,0|2,0,0]=4 1392 B14R1.518 C=CCN(c1cccc(c1)F)C(C)C 269982a_100000220071_100000210623 [0,2,0,0,0,0|2,0,0]=4 1393 B14R1.518 C=CCN(c1cccc(c1)F)C(C)C 34a_100000220071_100015514636 [0,2,0,0,0,0|2,0,0]=4 1394 B14R1.518 C=CCN(c1cccc(c1)F)C(C)C 7a_100000220071_100015514636 [0,2,0,0,0,0|2,0,0]=4 1395 B14R1.518 CC(C)N(CC=O)c1cccc(c1)Br 269982a_100000219649_200015260668 [0,2,0,0,0,0|1,0,0]=3 1396 B14R1.518 CC(C)N(CC=O)c1cccc(c1)Br 34a_100000219649_200009817547 [0,2,0,0,0,0|1,0,0]=3 1397 B14R1.518 CC(C)N(CC=O)c1cccc(c1)Br 7a_100000219649_200015260668 [0,2,0,0,0,0|1,0,0]=3 1398 B14R1.518 CC(C)N(CC=O)c1cccc(c1)F 2230a_100000220071_200015260668 [0,2,0,0,0,0|1,0,0]=3 1399 B14R1.518 CC(C)N(CC=O)c1cccc(c1)F 269982a_100000220071_200015260668 [0,2,0,0,0,0|1,0,0]=3 1400 B14R1.518 CC(C)N(CC=O)c1cccc(c1)F 34a_100000220071_200009817547 [0,2,0,0,0,0|1,0,0]=3 1401 B14R1.518 CC(C)N(CC=O)c1cccc(c1)F 7a_100000220071_200015260668 [0,2,0,0,0,0|1,0,0]=3 1402 B14R1.518 CC(C)[C@@H](NCF)c1cccc(c1)Cl 34a_100009818290_100015361967 [0,2,0,0,0,0|1,0,1]=4 1403 B14R1.518 CCNC(c1cccc(c1)Br)C(C)C 269862a_100015525214_100011350656 [0,2,0,0,0,0|1,0,1]=4 1404 B14R1.518 CCN[C@@H](c1cccc(c1)Cl)C(C)C 2230a_100009818290_100000210202 [0,2,0,0,0,0|1,0,1]=4 1405 B14R1.518 CCN[C@@H](c1cccc(c1)Cl)C(C)C 34a_100009818290_100000210202 [0,2,0,0,0,0|1,0,1]=4 1406 B14R1.521 C=CCN(c1ccccc1)C(C)CC 2230a_100000211662_100000758301 [0,2,0,0,0,0|2,0,0]=4 1407 B14R1.521 C=CCN(c1ccccc1)C(C)CC 269982a_100000211662_100000758301 [0,2,0,0,0,0|2,0,0]=4 1408 B14R1.521 C=CCN(c1ccccc1)C(C)CC 34a_100000211662_100011215416 [0,2,0,0,0,0|2,0,0]=4 1409 B14R1.521 C=CCN(c1ccccc1)C(C)CO 2230a_100000211662_100012180447 [0,2,0,0,0,0|2,0,0]=4 1410 B14R1.521 C=CCN(c1ccccc1)C(C)CO 34a_100000211662_100012180447 [0,2,0,0,0,0|2,0,0]=4 1411 B14R1.521 C=CCN(c1ccccc1)C(C)OC 269982a_100000211662_100009879195 [0,2,0,0,0,0|2,0,0]=4 1412 B14R1.521 C=CCN(c1ccccc1)[C@H](C)CO 269982a_100000211662_100016084084 [0,2,0,0,0,0|2,0,0]=4 1413 B14R1.521 CC(C#N)N(CC=O)c1ccccc1 34a_100000762819_200009817547 [0,2,0,0,0,0|1,0,1]=4 1414 B14R1.521 CCC(C)C(COC)c1ccccc1 34a_200011273946_200000210301 [0,2,0,0,0,0|0,0,2]=4 1415 B14R1.521 CCC(C)C(COC)c1ccccc1 7a_200011273946_200000210301 [0,2,0,0,0,0|0,0,2]=4 1416 B14R1.521 CCC(C)C(CO[13CH3])c1ccccc1 34a_200011273946_200025704644 [0,2,0,0,0,0|0,0,2]=4 1417 B14R1.521 CCC(C)C(CO[13CH3])c1ccccc1 7a_200011273946_200025704644 [0,2,0,0,0,0|0,0,2]=4 1418 B14R1.521 CCNC(c1ccccc1)C(C)CC 2230a_100025702663_100000210202 [0,2,0,0,0,0|1,0,1]=4 1419 B14R1.522 C=CCN(c1ccccc1)C(C)(C)C 269982a_100000211662_100000210625 [0,2,0,0,0,0|2,0,0]=4 1420 B14R1.522 C=CCN(c1ccccc1)C(C)(C)C 34a_100000211662_100000210625 [0,2,0,0,0,0|2,0,0]=4 1421 B14R1.522 CCNC(c1ccccc1)C(C)(C)C 2230a_100000738585_100000210202 [0,2,0,0,0,0|1,0,1]=4 1422 B14R1.522 CCNC(c1ccccc1)C(C)(C)O 269862a_100015525214_100011217161 [0,2,0,0,0,0|1,0,1]=4 1423 B14R1.523 C=CCN(c1ccccc1Br)C(C)C 269982a_100000219599_100000210623 [0,2,0,0,0,0|2,0,0]=4 1424 B14R1.523 C=CCN(c1ccccc1Br)C(C)C 34a_100000219599_100015514636 [0,2,0,0,0,0|2,0,0]=4 1425 B14R1.523 C=CCN(c1ccccc1Br)C(C)C 7a_100000219599_100015514636 [0,2,0,0,0,0|2,0,0]=4 1426 B14R1.523 C=CCN(c1ccccc1C)C(C)C 2230a_100000219700_100000210623 [0,2,0,0,0,0|2,0,0]=4 1427 B14R1.523 C=CCN(c1ccccc1C)C(C)C 269982a_100000219700_100000210623 [0,2,0,0,0,0|2,0,0]=4 1428 B14R1.523 C=CCN(c1ccccc1C)C(C)C 34a_100000219700_100015514636 [0,2,0,0,0,0|2,0,0]=4 1429 B14R1.523 C=CCN(c1ccccc1C)C(C)C 7a_100000219700_100015514636 [0,2,0,0,0,0|2,0,0]=4 1430 B14R1.523 C=CCN(c1ccccc1Cl)C(C)C 269982a_100000219376_100000210623 [0,2,0,0,0,0|2,0,0]=4 1431 B14R1.523 C=CCN(c1ccccc1Cl)C(C)C 34a_100000219376_100015514636 [0,2,0,0,0,0|2,0,0]=4 1432 B14R1.523 C=CCN(c1ccccc1Cl)C(C)C 7a_100000219376_100015514636 [0,2,0,0,0,0|2,0,0]=4 1433 B14R1.523 C=CCN(c1ccccc1F)C(C)C 269982a_100000220358_100000210623 [0,2,0,0,0,0|2,0,0]=4 1434 B14R1.523 C=CCN(c1ccccc1F)C(C)C 34a_100000220358_100015514636 [0,2,0,0,0,0|2,0,0]=4 1435 B14R1.523 C=CCN(c1ccccc1F)C(C)C 38a_100000220358_100000210623 [0,2,0,0,0,0|2,0,0]=4 1436 B14R1.523 C=CCN(c1ccccc1F)C(C)C 7a_100000220358_100015514636 [0,2,0,0,0,0|2,0,0]=4 1437 B14R1.523 CC(C)N(CC=O)c1ccccc1Br 269982a_100000219599_200015260668 [0,2,0,0,0,0|1,0,0]=3 1438 B14R1.523 CC(C)N(CC=O)c1ccccc1Br 34a_100000219599_200009817547 [0,2,0,0,0,0|1,0,0]=3 1439 B14R1.523 CC(C)N(CC=O)c1ccccc1Br 7a_100000219599_200015260668 [0,2,0,0,0,0|1,0,0]=3 1440 B14R1.523 CC(C)N(CC=O)c1ccccc1Cl 269982a_100000219376_200015260668 [0,2,0,0,0,0|1,0,0]=3 1441 B14R1.523 CC(C)N(CC=O)c1ccccc1Cl 34a_100000219376_200009817547 [0,2,0,0,0,0|1,0,0]=3 1442 B14R1.523 CC(C)N(CC=O)c1ccccc1Cl 7a_100000219376_200015260668 [0,2,0,0,0,0|1,0,0]=3 1443 B14R1.523 CC(C)N(CC=O)c1ccccc1F 269982a_100000220358_200015260668 [0,2,0,0,0,0|1,0,0]=3 1444 B14R1.523 CC(C)N(CC=O)c1ccccc1F 34a_100000220358_200009817547 [0,2,0,0,0,0|1,0,0]=3 1445 B14R1.523 CC(C)N(CC=O)c1ccccc1F 7a_100000220358_200015260668 [0,2,0,0,0,0|1,0,0]=3 1446 B14R1.523 Cc1ccccc1N(CC=O)C(C)C 2230a_100000219700_200015260668 [0,2,0,0,0,0|1,0,0]=3 1447 B14R1.523 Cc1ccccc1N(CC=O)C(C)C 269982a_100000219700_200015260668 [0,2,0,0,0,0|1,0,0]=3 1448 B14R1.523 Cc1ccccc1N(CC=O)C(C)C 34a_100000219700_200009817547 [0,2,0,0,0,0|1,0,0]=3 1449 B14R1.523 Cc1ccccc1N(CC=O)C(C)C 7a_100000219700_200015260668 [0,2,0,0,0,0|1,0,0]=3 1450 B14R1.2984 C#CC(=O)C(C(=O)C)c1ccccc1 1458a_100000211873_100009888967 [0,2,0,0,0,0|1,0,1]=4 1451 B14R1.2984 C=CC(=O)C(C(=O)C)c1ccccc1 1458a_100000185746_100009888967 [0,2,0,0,0,0|1,0,1]=4 1452 B14R1.2984 C=CC(=O)N(c1ccccc1)C(C)C 1626a_100000210572_100000185746 [0,2,0,0,0,0|1,0,0]=3 1453 B14R1.2984 C=CC(C)N(c1ccccc1)C(C)C 269982a_100000210572_100011215867 [0,2,0,0,0,0|2,0,0]=4 1454 B14R1.2984 CC(=O)C(C(=O)CO)c1ccccc1 1458a_100000210174_100009888967 [0,2,0,0,0,0|1,0,1]=4 1455 B14R1.2984 CC(=O)N(c1ccccc1)C(C)C#N 1626a_100000762819_100015343762 [0,2,0,0,0,0|1,0,1]=4 1456 B14R1.2984 CC(C)C(C(=O)CF)c1ccccc1 1458a_100000764467_100015361967 [0,2,0,0,0,0|0,0,0]=2 1457 B14R1.2984 CC(C)C(c1ccccc1)N(C)CF 269982a_100000233099_100015361967 [0,2,0,0,0,0|1,0,1]=4 1458 B14R1.2984 CCC(=O)C(C(=O)C)c1ccccc1 1458a_100000210414_100009888967 [0,2,0,0,0,0|1,0,1]=4 1459 B14R1.2984 CCC(=O)C(C(=O)N)c1ccccc1 1458a_100000210414_100000188848 [0,2,0,0,0,0|1,0,1]=4 1460 B14R1.2984 CCC(=O)C(c1ccccc1)C(C)C 1458a_100000764467_100000210202 [0,2,0,0,0,0|0,0,0]=2 1461 B14R1.2984 CCC(=O)C(c1ccccc1)N(C)C 1458a_100000743987_100000210202 [0,2,0,0,0,0|1,0,0]=3 1462 B14R1.2984 CCC(=O)N(c1ccccc1)C(C)C 11a_100000210572_100000210414 [0,2,0,0,0,0|1,0,0]=3 1463 B14R1.2984 CCC(=O)N(c1ccccc1)C(C)C 1626a_100000210572_100000210414 [0,2,0,0,0,0|1,0,0]=3 1464 B14R1.2984 CCC(C)C(C(=O)C)c1ccccc1 1458a_100000211421_200000210301 [0,2,0,0,0,0|0,0,0]=2 1465 B14R1.2984 CCC(C)C(C(=O)[13CH3])c1ccccc1 1458a_100000211421_200025704644 [0,2,0,0,0,0|0,0,0]=2 1466 B14R1.2984 CCN(C)C(C(=O)C)c1ccccc1 2230a_100000225621_100009888967 [0,2,0,0,0,0|1,0,0]=3 1467 B14R1.2984 CCN(C)C(C(=O)C)c1ccccc1 269982a_100000225621_100009888967 [0,2,0,0,0,0|1,0,0]=3 1468 B14R1.2984 CCN(C)C(C(=O)N)c1ccccc1 2230a_100000225621_100000188848 [0,2,0,0,0,0|1,0,0]=3 1469 B14R1.2984 CCN(C)C(C(=O)N)c1ccccc1 269982a_100000225621_100000188848 [0,2,0,0,0,0|1,0,0]=3 1470 B14R1.2984 CCN(C)C(c1ccccc1)C(C)C 2230a_100000233099_100000210202 [0,2,0,0,0,0|1,0,1]=4 1471 B14R1.2984 CCN(C)C(c1ccccc1)C(C)C 269982a_100000233099_100000204670 [0,2,0,0,0,0|1,0,1]=4 1472 B14R1.2984 CN(C)C(C(=O)CF)c1ccccc1 1458a_100000743987_100015361967 [0,2,0,0,0,0|1,0,0]=3 1473 B14R1.2984 CNC(=O)C(c1ccccc1)C(C)C 11a_106832991635_100000764467 [0,2,0,0,0,0|0,0,0]=2 1474 B14R1.2984 CNC(=O)C(c1ccccc1)C(C)C 1626a_100102657272_100000764467 [0,2,0,0,0,0|0,0,0]=2 1475 B14R1.2984 CNC(=O)C(c1ccccc1)C(C)C 240690a_100102657272_100000764467 [0,2,0,0,0,0|0,0,0]=2 1476 B14R1.2984 CNC(=O)C(c1ccccc1)C(C)C 527a_100102657272_100000764467 [0,2,0,0,0,0|0,0,0]=2 1477 B14R1.2984 CNC(=O)C(c1ccccc1)N(C)C 11a_106832991635_100000743987 [0,2,0,0,0,0|1,0,0]=3 1478 B14R1.2984 CNC(=O)C(c1ccccc1)N(C)C 240690a_100102657272_100000743987 [0,2,0,0,0,0|1,0,0]=3 1479 B14R1.2984 CNC(=O)C(c1ccccc1)N(C)C 527a_100102657272_100000743987 [0,2,0,0,0,0|1,0,0]=3 1480 B14R1.2984 CNC(=O)N(c1ccccc1)C(C)C 512a_100000210572_100102657272 [0,2,0,0,0,0|1,0,0]=3 1481 B14R1.2984 COC(=O)C(C(=O)C)c1ccccc1 1458a_100000070787_100000754950 [0,2,0,0,0,0|1,0,1]=4 1482 B14R1.2984 COC(=O)C(c1ccccc1)N(C)C 2230a_100102631434_100000754950 [0,2,0,0,0,0|1,0,0]=3 1483 B14R1.2984 COC(=O)C(c1ccccc1)N(C)C 269982a_100102631434_100000754950 [0,2,0,0,0,0|1,0,0]=3 1484 B14R1.2984 NC(=O)C(C(=O)CO)c1ccccc1 1458a_100000210174_100000188848 [0,2,0,0,0,0|1,0,1]=4 1485 B14R1.391 C=CC(c1ccccc1)N(CC)CC 2230a_100000724800_200000085779 [0,2,0,0,0,0|2,0,0]=4 1486 B14R1.391 C=CC(c1ccccc1)N(CC)CC 269956a_100000042499_200000085779 [0,2,0,0,0,0|2,0,0]=4 1487 B14R1.391 C=CC(c1ccccc1)N(CC)CC 269982a_100000724800_200000085779 [0,2,0,0,0,0|2,0,0]=4 1488 B14R1.604 C#CCN(C)C(C=C)c1ccccc1 2230a_100000225692_200000085779 [0,2,0,0,0,0|2,0,0]=4 1489 B14R1.604 C=CC(c1ccccc1)N(C)CC#N 2230a_100000748184_200000085779 [0,2,0,0,0,0|2,0,0]=4 1490 B14R1.604 C=CC(c1ccccc1)N(C)CCC 2230a_100000747261_200000085779 [0,2,0,0,0,0|2,0,0]=4 1491 B14R1.604 C=CC(c1ccccc1)N(C)CCC 269982a_100000747261_200000085779 [0,2,0,0,0,0|2,0,0]=4 1492 B14R1.604 C=CC(c1ccccc1)N(C)CCO 2230a_100000210263_200000085779 [0,2,0,0,0,0|2,0,0]=4 1493 B14R1.604 C=CC(c1ccccc1)N(C)CCO 269982a_100000210263_200000085779 [0,2,0,0,0,0|2,0,0]=4 1494 B14R1.604 C=CCN(C)C(C=C)c1ccccc1 2230a_100000225617_200000085779 [0,2,0,0,0,0|2,0,0]=4 1495 B14R1.604 C=CCN(C)C(C=C)c1ccccc1 269982a_100000225617_200000085779 [0,2,0,0,0,0|2,0,0]=4 1496 B14R1.8 C=Cc1ccc(cc1)C(C#N)C(C)C 271570a_100011290941_100000698803 [0,2,0,0,0,0|1,0,1]=4 1497 B14R1.8 CC(C)C(C#N)c1ccc(cc1)S[13CH3] 62a_100000698803_200025704644 [0,2,0,0,0,0|1,0,1]=4 1498 B14R1.8 CC(C)C(C#N)c1ccc(cc1)S[13CH3] 62a_200025704644_100000698803 [0,2,0,0,0,0|1,0,1]=4 1499 B14R1.8 CCc1ccc(cc1)C(NC)C(C)C 2230a_100000198992_200000210301 [0,2,0,0,0,0|2,0,0]=4 1500 B14R1.8 CCc1ccc(cc1)C(NC)C(C)C 269862a_106832991636_100000750131 [0,2,0,0,0,0|2,0,0]=4 1501 B14R1.8 CCc1ccc(cc1)C(NC)C(C)C 34a_100000198992_200000210301 [0,2,0,0,0,0|2,0,0]=4 1502 B14R1.8 CCc1ccc(cc1)C(N[13CH3])C(C)C 2230a_100000198992_200025704644 [0,2,0,0,0,0|2,0,0]=4 1503 B14R1.8 CCc1ccc(cc1)C(N[13CH3])C(C)C 34a_100000198992_200025704644 [0,2,0,0,0,0|2,0,0]=4 1504 B14R1.8 CNC(c1ccc(cc1)OC)C(C)C 2230a_100000205938_200000210301 [0,2,0,0,0,0|2,0,0]=4 1505 B14R1.8 CNC(c1ccc(cc1)OC)C(C)C 34a_100000205938_200000210301 [0,2,0,0,0,0|2,0,0]=4 1506 B14R1.8 CNC(c1ccc(cc1)SC)C(C)C 269862a_106832991636_100011220374 [0,2,0,0,0,0|2,0,0]=4 1507 B14R1.8 COc1ccc(cc1)C(N[13CH3])C(C)C 2230a_100000205938_200025704644 [0,2,0,0,0,0|2,0,0]=4 1508 B14R1.8 COc1ccc(cc1)C(N[13CH3])C(C)C 34a_100000205938_200025704644 [0,2,0,0,0,0|2,0,0]=4 1509 B14R1.8 COc1ccc(cc1)C(OC)C(C)C 34a_200011350851_200000210301 [0,2,0,0,0,0|2,0,0]=4 1510 B14R1.8 COc1ccc(cc1)C(OC)C(C)C 7a_200011350851_200000210301 [0,2,0,0,0,0|2,0,0]=4 1511 B14R1.8 COc1ccc(cc1)C(O[13CH3])C(C)C 34a_200011350851_200025704644 [0,2,0,0,0,0|2,0,0]=4 1512 B14R1.8 COc1ccc(cc1)C(O[13CH3])C(C)C 7a_200011350851_200025704644 [0,2,0,0,0,0|2,0,0]=4 1513 B14R1.8 CSc1ccc(cc1)C(C#N)C(C)C 62a_100000698803_200000210301 [0,2,0,0,0,0|1,0,1]=4 1514 B14R1.8 CSc1ccc(cc1)C(C#N)C(C)C 62a_200000210301_100000698803 [0,2,0,0,0,0|1,0,1]=4 1515 B14R1.703 CC(=O)C(c1ccc(cc1)C)N(C)C 1458a_200015183742_200000210301 [0,2,0,0,0,0|1,0,0]=3 1516 B14R1.703 CC(=O)C(c1ccc(cc1)Cl)C(C)C 1458a_100000183262_200000210301 [0,2,0,0,0,0|0,0,0]=2 1517 B14R1.703 CC(=O)C(c1ccc(cc1)Cl)N(C)C 1458a_100000689845_200000210301 [0,2,0,0,0,0|1,0,0]=3 1518 B14R1.703 CC(=O)C(c1ccc(cc1)F)N(C)C 1458a_200015183285_200000210301 [0,2,0,0,0,0|1,0,0]=3 1519 B14R1.703 CC(=O)N(c1ccc(cc1)Br)C(C)C 1626a_100000219625_100015343762 [0,2,0,0,0,0|1,0,0]=3 1520 B14R1.703 CC(=O)N(c1ccc(cc1)C)C(C)C 11a_100000748792_100015343762 [0,2,0,0,0,0|1,0,0]=3 1521 B14R1.703 CC(=O)N(c1ccc(cc1)C)C(C)C 1626a_100000748792_100015343762 [0,2,0,0,0,0|1,0,0]=3 1522 B14R1.703 CC(=O)N(c1ccc(cc1)C)C(C)C 22a_100000748792_100000070787 [0,2,0,0,0,0|1,0,0]=3 1523 B14R1.703 CC(=O)N(c1ccc(cc1)Cl)C(C)C 11a_100000749197_100015343762 [0,2,0,0,0,0|1,0,0]=3 1524 B14R1.703 CC(=O)N(c1ccc(cc1)Cl)C(C)C 1626a_100000749197_100015343762 [0,2,0,0,0,0|1,0,0]=3 1525 B14R1.703 CC(=O)N(c1ccc(cc1)F)C(C)C 11a_100000219830_100015343762 [0,2,0,0,0,0|1,0,0]=3 1526 B14R1.703 CC(=O)N(c1ccc(cc1)F)C(C)C 1626a_100000219830_100015343762 [0,2,0,0,0,0|1,0,0]=3 1527 B14R1.703 CC(=O)[C@H](c1ccc(cc1)F)C(C)C 1458a_100009817477_200000210301 [0,2,0,0,0,0|0,0,0]=2 1528 B14R1.703 CC(C)C(C(=O)[13CH3])c1ccc(cc1)Cl 1458a_100000183262_200025704644 [0,2,0,0,0,0|0,0,0]=2 1529 B14R1.703 CC(C)[C@H](C(=O)[13CH3])c1ccc(cc1)F 1458a_100009817477_200025704644 [0,2,0,0,0,0|0,0,0]=2 1530 B14R1.703 CN(C)C(C(=O)[13CH3])c1ccc(cc1)Cl 1458a_100000689845_200025704644 [0,2,0,0,0,0|1,0,0]=3 1531 B14R1.703 CN(C)C(C(=O)[13CH3])c1ccc(cc1)F 1458a_200015183285_200025704644 [0,2,0,0,0,0|1,0,0]=3 1532 B14R1.703 Cc1ccc(cc1)C(C(=O)[13CH3])N(C)C 1458a_200015183742_200025704644 [0,2,0,0,0,0|1,0,0]=3 1533 B14R1.1012 CC(C)(O)C(N[13CH3])c1ccc(cc1)F 2230a_200010458951_200025704644 [0,2,0,0,0,0|2,0,0]=4 1534 B14R1.1012 CC(C)(O)C(N[13CH3])c1ccc(cc1)F 34a_200010458951_200025704644 [0,2,0,0,0,0|2,0,0]=4 1535 B14R1.1012 CNC(c1ccc(cc1)F)C(C)(C)O 2230a_200010458951_200000210301 [0,2,0,0,0,0|2,0,0]=4 1536 B14R1.1012 CNC(c1ccc(cc1)F)C(C)(C)O 34a_200010458951_200000210301 [0,2,0,0,0,0|2,0,0]=4 1537 B14R1.1009 CNC(c1cc(cc(c1)Br)F)C(C)C 269862a_106832991636_100012353570 [0,2,0,0,0,0|2,0,0]=4 1538 B14R1.4402 CC(=O)C(c1cccc(c1)C)N(C)C 1458a_200015183098_200000210301 [0,2,0,0,0,0|1,0,0]=3 1539 B14R1.4402 CC(=O)C(c1cccc(c1)F)N(C)C 1458a_200015184705_200000210301 [0,2,0,0,0,0|1,0,0]=3 1540 B14R1.4402 CC(=O)N(c1cccc(c1)Br)C(C)C 11a_100000219649_100015343762 [0,2,0,0,0,0|1,0,0]=3 1541 B14R1.4402 CC(=O)N(c1cccc(c1)Br)C(C)C 1626a_100000219649_100015343762 [0,2,0,0,0,0|1,0,0]=3 1542 B14R1.4402 CC(=O)N(c1cccc(c1)F)C(C)C 11a_100000220071_100015343762 [0,2,0,0,0,0|1,0,0]=3 1543 B14R1.4402 CC(=O)N(c1cccc(c1)F)C(C)C 1626a_100000220071_100015343762 [0,2,0,0,0,0|1,0,0]=3 1544 B14R1.4402 CN(C)C(C(=O)[13CH3])c1cccc(c1)F 1458a_200015184705_200025704644 [0,2,0,0,0,0|1,0,0]=3 1545 B14R1.4402 Cc1cccc(c1)C(C(=O)[13CH3])N(C)C 1458a_200015183098_200025704644 [0,2,0,0,0,0|1,0,0]=3 1546 B14R1.323 CC(=O)C(c1ccccc1C)C(C)C 1458a_200011667393_200000210301 [0,2,0,0,0,0|0,0,0]=2 1547 B14R1.323 CC(=O)C(c1ccccc1C)N(C)C 1458a_200015186453_200000210301 [0,2,0,0,0,0|1,0,0]=3 1548 B14R1.323 CC(=O)C(c1ccccc1Cl)N(C)C 1458a_100000689846_200000210301 [0,2,0,0,0,0|1,0,0]=3 1549 B14R1.323 CC(=O)C(c1ccccc1F)N(C)C 1458a_100011344403_200000210301 [0,2,0,0,0,0|1,0,0]=3 1550 B14R1.323 CC(=O)N(c1ccccc1Br)C(C)C 1626a_100000219599_100015343762 [0,2,0,0,0,0|1,0,0]=3 1551 B14R1.323 CC(=O)N(c1ccccc1C)C(C)C 11a_100000219700_100015343762 [0,2,0,0,0,0|1,0,0]=3 1552 B14R1.323 CC(=O)N(c1ccccc1C)C(C)C 1626a_100000219700_100015343762 [0,2,0,0,0,0|1,0,0]=3 1553 B14R1.323 CC(=O)N(c1ccccc1Cl)C(C)C 1626a_100000219376_100015343762 [0,2,0,0,0,0|1,0,0]=3 1554 B14R1.323 CC(=O)N(c1ccccc1F)C(C)C 11a_100000220358_100015343762 [0,2,0,0,0,0|1,0,0]=3 1555 B14R1.323 CC(=O)N(c1ccccc1F)C(C)C 1626a_100000220358_100015343762 [0,2,0,0,0,0|1,0,0]=3 1556 B14R1.323 CN(C)C(C(=O)[13CH3])c1ccccc1Cl 1458a_100000689846_200025704644 [0,2,0,0,0,0|1,0,0]=3 1557 B14R1.323 CN(C)C(C(=O)[13CH3])c1ccccc1F 1458a_100011344403_200025704644 [0,2,0,0,0,0|1,0,0]=3 1558 B14R1.323 Cc1ccccc1C(C(=O)[13CH3])C(C)C 1458a_200011667393_200025704644 [0,2,0,0,0,0|0,0,0]=2 1559 B14R1.323 Cc1ccccc1C(C(=O)[13CH3])N(C)C 1458a_200015186453_200025704644 [0,2,0,0,0,0|1,0,0]=3 1560 B12R1.440 C=Cc1cccc(c1N)C(C)C 271570a_100011290941_100010571509 [0,0,1,1,0,0|1,0,1]=4 1561 B12R2.1 CNC1CCc2c1cccc2 2230a_106832991635_200000721974 [1,0,0,1,0,0|2,0,0]=4 1562 B12R2.1 CNC1CCc2c1cccc2 269862a_106832991636_100000212051 [1,0,0,1,0,0|2,0,0]=4 1563 B12R2.1 CN[C@H]1CCc2c1cccc2 2230a_100016989578_200000210301 [1,0,0,1,0,0|2,0,0]=4 1564 B12R2.1 CN[C@H]1CCc2c1cccc2 34a_100016989578_200000210301 [1,0,0,1,0,0|2,0,0]=4 1565 B12R2.1 COC1CCc2c1cccc2 34a_100000212247_200000210301 [1,0,0,1,0,0|2,0,0]=4 1566 B12R2.1 COC1CCc2c1cccc2 7a_100000212247_200000210301 [1,0,0,1,0,0|2,0,0]=4 1567 B12R2.1 CSC1CCc2c1cccc2 62a_200000210301_200000721974 [1,0,0,1,0,0|2,0,0]=4 1568 B12R2.1 [13CH3]N[C@H]1CCc2c1cccc2 2230a_100016989578_200025704644 [1,0,0,1,0,0|2,0,0]=4 1569 B12R2.1 [13CH3]N[C@H]1CCc2c1cccc2 34a_100016989578_200025704644 [1,0,0,1,0,0|2,0,0]=4 1570 B12R2.1 [13CH3]OC1CCc2c1cccc2 34a_100000212247_200025704644 [1,0,0,1,0,0|2,0,0]=4 1571 B12R2.1 [13CH3]OC1CCc2c1cccc2 7a_100000212247_200025704644 [1,0,0,1,0,0|2,0,0]=4 1572 B12R2.1 [13CH3]SC1CCc2c1cccc2 62a_200025704644_200000721974 [1,0,0,1,0,0|2,0,0]=4 1573 B12R2.2 C1=C(CCC1)c2ccccc2 271570a_100000089523_100000210277 [1,0,0,1,0,0|1,0,1]=4 1574 B12R2.2 C1=C(CCO1)c2ccccc2 271570a_100000118173_100000210277 [1,0,0,1,0,0|0,0,2]=4 1575 B12R2.23 CN1CCC1c2ccccc2 2230a_100000739605_200000210301 [1,0,0,1,0,0|2,0,0]=4 1576 B12R2.23 CN1CCC1c2ccccc2 269982a_100000739605_200000210301 [1,0,0,1,0,0|2,0,0]=4 1577 B12R2.23 [13CH3]N1CCC1c2ccccc2 2230a_100000739605_200025704644 [1,0,0,1,0,0|2,0,0]=4 1578 B12R2.23 [13CH3]N1CCC1c2ccccc2 269982a_100000739605_200025704644 [1,0,0,1,0,0|2,0,0]=4 1579 B12R2.48 CNC1(CC1)c2ccccc2 2230a_100000749958_200000210301 [1,0,0,1,0,0|2,0,0]=4 1580 B12R2.48 [13CH3]NC1(CC1)c2ccccc2 2230a_100000749958_200025704644 [1,0,0,1,0,0|2,0,0]=4 1581 B12R2.2075 C=C(c1ccccc1)C2CC2 271570a_100010895485_100000210277 [1,0,0,1,0,0|0,0,1]=3 1582 B12R2.2075 C=C(c1ccccn1)C2CC2 271570a_100010895485_100011216584 [1,0,0,1,0,0|1,0,1]=4 1583 B12R2.2075 C=C(c1cccnc1)C2CC2 271570a_100010895485_100000752921 [1,0,0,1,0,0|1,0,1]=4 1584 B12R2.2075 C=C(c1ccncc1)C2CC2 271570a_100010895485_100000035832 [1,0,0,1,0,0|1,0,1]=4 1585 B12R2.2075 CN(c1ccccc1)C2CC2 269982a_100000210012_100000211595 [1,0,0,1,0,0|1,0,1]=4 1586 B12R2.2075 CN(c1ccccc1)C2CC2 34a_100000210012_100000211595 [1,0,0,1,0,0|1,0,1]=4 1587 B12R2.3190 CN(C)C1Cc2c1cccc2 269982a_100102631434_100009813401 [1,0,0,1,0,0|1,0,1]=4 1588 B14R2.450 CC(=O)C1Cc2ccccc2C1=O 1458a_100000070787_100011218503 [0,0,0,1,0,1|1,0,1]=4 1589 B14R2.450 CN(C)C1Cc2ccccc2C1=O 269982a_100102631434_100011218503 [0,0,0,1,0,1|1,0,0]=3 1590 B14R2.2 CC(C)NC1CCc2c1cccc2 2230a_100138425928_200000721974 [0,0,0,1,0,1|1,0,1]=4 1591 B14R2.2 CC(C)NC1COc2c1cccc2 2230a_100000747519_100000210206 [0,0,0,1,0,1|0,0,2]=4 1592 B14R2.2 CC(C)N[C@H]1CCc2c1cccc2 2230a_100016989578_100000210206 [0,0,0,1,0,1|1,0,1]=4 1593 B14R2.2 CC(C)N[C@H]1CCc2c1cccc2 34a_100016989578_100000210206 [0,0,0,1,0,1|1,0,1]=4 1594 B14R2.2 CC(C)OC1CCc2c1cccc2 34a_100000212247_100000210206 [0,0,0,1,0,1|1,0,1]=4 1595 B14R2.2 CC(C)OC1CCc2c1cccc2 7a_100000212247_100000210206 [0,0,0,1,0,1|1,0,1]=4 1596 B14R2.2 CC(C)Oc1csc2c1cccc2 34a_100000077758_100000210206 [0,0,0,1,0,1|0,1,1]=4 1597 B14R2.2 CC(C)Oc1csc2c1cccc2 7a_100000077758_100000210206 [0,0,0,1,0,1|0,1,1]=4 1598 B14R2.2 CC(C)SC1CCc2c1cccc2 62a_100000210206_200000721974 [0,0,0,1,0,1|1,0,1]=4 1599 B14R2.2 CC(C)Sc1coc2c1cccc2 62a_100000210206_100009812202 [0,0,0,1,0,1|0,0,2]=4 1600 B14R2.2 CC(C)Sc1csc2c1cccc2 62a_100000210206_100009813928 [0,0,0,1,0,1|0,1,1]=4 1601 B14R2.1014 CC(C)NC1(CC1)c2ccccc2 2230a_100000749958_100000210206 [0,0,0,1,0,1|1,0,1]=4 1602 B14R2.1256 C#CC(OC1CC1)c2ccccc2 34a_100011219616_100000211595 [0,0,0,1,0,1|1,0,1]=4 1603 B14R2.1256 C=CC(OC1CC1)c2ccccc2 34a_100011215659_100000211595 [0,0,0,1,0,1|1,0,0]=3 1604 B14R2.1256 C=CC(SC1CC1)c2ccccc2 62a_200000085779_100000211595 [0,0,0,1,0,1|1,0,0]=3 1605 B14R2.1256 CCC(OC1CC1)c2ccccc2 34a_100000698172_100000211595 [0,0,0,1,0,1|1,0,1]=4 1606 B14R2.1256 ClC[C@@H](OC1CC1)c2ccccc2 34a_100011933945_100000211595 [0,0,0,1,0,1|1,0,1]=4 1607 B14R2.1256 NCC(OC1CC1)c2ccccc2 34a_100000210709_100000211595 [0,0,0,1,0,1|1,0,1]=4 1608 B14R2.1256 OC[C@@H](NC1CC1)c2ccccc2 34a_100000751927_100000211595 [0,0,0,1,0,1|0,0,2]=4 1609 B14R2.831 C=CCN(c1ccccc1)C2CC2 269982a_100000211662_100000211595 [0,1,0,1,0,0|2,0,0]=4 1610 B14R2.831 C=CCN(c1ccccc1)C2CC2 34a_100000211662_100000211595 [0,1,0,1,0,0|2,0,0]=4 1611 B14R2.831 CCNC(c1ccccc1)C2CC2 2230a_100000735078_100000210202 [0,1,0,1,0,0|1,0,1]=4 1612 B14R2.831 CCNC(c1ccccc1)C2CC2 269862a_100015525214_100011218604 [0,1,0,1,0,0|1,0,1]=4 1613 B14R2.831 CCNC(c1ccccc1)C2CC2 34a_100000735078_100000210202 [0,1,0,1,0,0|1,0,1]=4 1614 B14R2.831 CCOC(c1ccccc1)C2CC2 34a_100011215866_100000210202 [0,1,0,1,0,0|1,0,1]=4 1615 B14R2.831 CCOC(c1ccccc1)C2CC2 7a_100011215866_100000210202 [0,1,0,1,0,0|1,0,1]=4 1616 B14R2.831 FCNC(c1ccccc1)C2CC2 34a_100000735078_100015361967 [0,1,0,1,0,0|1,0,1]=4 1617 B14R2.831 FCOC(c1ccccc1)C2CC2 34a_100011215866_100015361967 [0,1,0,1,0,0|1,0,1]=4 1618 B14R2.831 FCOC(c1ccccc1)C2CC2 7a_100011215866_100015361967 [0,1,0,1,0,0|1,0,1]=4 1619 B14R2.25733 CC(=O)C1CC(=O)c2c1cccc2 1458a_100000070787_100010208147 [0,1,0,1,0,0|1,0,1]=4 1620 B14R2.25733 CN(C)C1CC(=O)c2c1cccc2 2230a_100102631434_100010208147 [0,1,0,1,0,0|1,0,0]=3 1621 B14R2.25733 CN(C)C1CC(=O)c2c1cccc2 269982a_100102631434_100010208147 [0,1,0,1,0,0|1,0,0]=3 1622 B14R2.25733 CN(C)C1OC(=O)c2c1cccc2 2230a_100102631434_100009813457 [0,1,0,1,0,0|1,0,0]=3 1623 B14R2.25733 CN(C)C1OC(=O)c2c1cccc2 269982a_100102631434_100009813457 [0,1,0,1,0,0|1,0,0]=3 1624 B14R2.14 CN[C@@H]1CCC[C@@H]1c2ccccc2 2230a_100009885948_200000210301 [0,1,0,1,0,0|1,0,1]=4 1625 B14R2.14 CN[C@@H]1CCC[C@@H]1c2ccccc2 34a_100009885948_200000210301 [0,1,0,1,0,0|1,0,1]=4 1626 B14R2.14 COC1COCC1c2ccccc2 34a_100010739164_200000210301 [0,1,0,1,0,0|0,0,2]=4 1627 B14R2.14 COC1COCC1c2ccccc2 7a_100010739164_200000210301 [0,1,0,1,0,0|0,0,2]=4 1628 B14R2.14 [13CH3]N[C@@H]1CCC[C@@H]1c2ccccc2 2230a_100009885948_200025704644 [0,1,0,1,0,0|1,0,1]=4 1629 B14R2.14 [13CH3]N[C@@H]1CCC[C@@H]1c2ccccc2 34a_100009885948_200025704644 [0,1,0,1,0,0|1,0,1]=4 1630 B14R2.14 [13CH3]OC1COCC1c2ccccc2 34a_100010739164_200025704644 [0,1,0,1,0,0|0,0,2]=4 1631 B14R2.14 [13CH3]OC1COCC1c2ccccc2 7a_100010739164_200025704644 [0,1,0,1,0,0|0,0,2]=4 1632 B14R2.95 CNC(C)c1coc2c1cccc2 269862a_106832991636_100000751042 [0,1,0,1,0,0|0,0,2]=4 1633 B14R2.95 CNC(C)c1csc2c1cccc2 269862a_106832991636_100000689785 [0,1,0,1,0,0|0,1,1]=4 1634 B14R2.203 CNC1c2ccccc2CCC1C 269862a_106832991636_100000696181 [0,1,0,1,0,0|2,0,0]=4 1635 B14R2.1129 CCC1Cc2ccccc2C1NC 269862a_106832991636_100011215617 [0,1,0,1,0,0|2,0,0]=4 1636 B14R2.1129 CO[C@@H]1Cc2ccccc2[C@@H]1OC 34a_200016238473_200000210301 [0,1,0,1,0,0|2,0,0]=4 1637 B14R2.1129 CO[C@@H]1Cc2ccccc2[C@@H]1OC 7a_200016238473_200000210301 [0,1,0,1,0,0|2,0,0]=4 1638 B14R2.1129 CO[C@H]1c2ccccc2C[C@H]1O[13CH3] 34a_200016238473_200025704644 [0,1,0,1,0,0|2,0,0]=4 1639 B14R2.1129 CO[C@H]1c2ccccc2C[C@H]1O[13CH3] 7a_200016238473_200025704644 [0,1,0,1,0,0|2,0,0]=4 1640 B14R2.2850 C=CC(c1ccccc1)N2CCC2 269982a_100000754969_200000085779 [0,1,0,1,0,0|2,0,0]=4 1641 B14R2.2850 CNC(c1ccccc1)C2CCC2 269862a_106832991636_100011215208 [0,1,0,1,0,0|2,0,0]=4 1642 B14R2.2850 CN[C@@H](c1ccccc1)C2CCC2 2230a_100025717287_200000210301 [0,1,0,1,0,0|2,0,0]=4 1643 B14R2.2850 CN[C@@H](c1ccccc1)C2CCC2 34a_100025717287_200000210301 [0,1,0,1,0,0|2,0,0]=4 1644 B14R2.2850 [13CH3]N[C@@H](c1ccccc1)C2CCC2 2230a_100025717287_200025704644 [0,1,0,1,0,0|2,0,0]=4 1645 B14R2.2850 [13CH3]N[C@@H](c1ccccc1)C2CCC2 34a_100025717287_200025704644 [0,1,0,1,0,0|2,0,0]=4 1646 B14R2.300 CC(C)n1ccc2c1ccc(c2)O 271570a_203496583355_200012349191 [0,1,0,1,0,0|2,0,0]=4 1647 B14R2.2854 CNC(c1ccc(cc1)Br)C2CC2 269862a_106832991636_100000764646 [0,1,0,1,0,0|2,0,0]=4 1648 B14R2.2854 CNC(c1ccc(cc1)C)C2CC2 269862a_106832991636_100000205966 [0,1,0,1,0,0|2,0,0]=4 1649 B14R2.2854 CNC(c1ccc(cc1)Cl)C2CC2 2230a_100000736611_200000210301 [0,1,0,1,0,0|2,0,0]=4 1650 B14R2.2854 CNC(c1ccc(cc1)Cl)C2CC2 269862a_106832991636_100000211685 [0,1,0,1,0,0|2,0,0]=4 1651 B14R2.2854 CNC(c1ccc(cc1)Cl)C2CC2 34a_100000736611_200000210301 [0,1,0,1,0,0|2,0,0]=4 1652 B14R2.2854 CNC(c1ccc(cc1)F)C2CC2 269862a_106832991636_100000738097 [0,1,0,1,0,0|2,0,0]=4 1653 B14R2.2854 CNC(c1ccc(cc1)O)C2CC2 269862a_106832991636_100011997326 [0,1,0,1,0,0|2,0,0]=4 1654 B14R2.2854 CN[C@H](c1ccc(cc1)F)C2CC2 2230a_100020629415_200000210301 [0,1,0,1,0,0|2,0,0]=4 1655 B14R2.2854 CN[C@H](c1ccc(cc1)F)C2CC2 34a_100020629415_200000210301 [0,1,0,1,0,0|2,0,0]=4 1656 B14R2.2854 COC(c1ccc(cc1)Br)C2CC2 34a_100000756592_200000210301 [0,1,0,1,0,0|2,0,0]=4 1657 B14R2.2854 COC(c1ccc(cc1)Br)C2CC2 7a_100000756592_200000210301 [0,1,0,1,0,0|2,0,0]=4 1658 B14R2.2854 [13CH3]NC(c1ccc(cc1)Cl)C2CC2 2230a_100000736611_200025704644 [0,1,0,1,0,0|2,0,0]=4 1659 B14R2.2854 [13CH3]NC(c1ccc(cc1)Cl)C2CC2 34a_100000736611_200025704644 [0,1,0,1,0,0|2,0,0]=4 1660 B14R2.2854 [13CH3]N[C@H](c1ccc(cc1)F)C2CC2 2230a_100020629415_200025704644 [0,1,0,1,0,0|2,0,0]=4 1661 B14R2.2854 [13CH3]N[C@H](c1ccc(cc1)F)C2CC2 34a_100020629415_200025704644 [0,1,0,1,0,0|2,0,0]=4 1662 B14R2.2854 [13CH3]OC(c1ccc(cc1)Br)C2CC2 34a_100000756592_200025704644 [0,1,0,1,0,0|2,0,0]=4 1663 B14R2.2854 [13CH3]OC(c1ccc(cc1)Br)C2CC2 7a_100000756592_200025704644 [0,1,0,1,0,0|2,0,0]=4 1664 B14R2.4217 CNC1c2ccc(cc2CC1C)Br 269862a_106832991636_100010169280 [0,1,0,1,0,0|2,0,0]=4 1665 B14R2.4217 CNC1c2ccc(cc2CC1C)Cl 269862a_106832991636_100009864968 [0,1,0,1,0,0|2,0,0]=4 1666 B14R2.4217 CNC1c2ccc(cc2CC1C)F 269862a_106832991636_200000086881 [0,1,0,1,0,0|2,0,0]=4 1667 B14R2.127 CNC(c1cccc(c1)C)C2CC2 269862a_106832991636_100011350773 [0,1,0,1,0,0|2,0,0]=4 1668 B14R2.4220 CNC1c2cccc(c2CC1C)Br 269862a_106832991636_200012356775 [0,1,0,1,0,0|2,0,0]=4 1669 B14R2.4220 CNC1c2cccc(c2CC1C)F 269862a_106832991636_200012183224 [0,1,0,1,0,0|2,0,0]=4 1670 B14R2.5816 CC(C)c1c[nH]c2c1cc(cc2)O 271570a_203496583355_100014147963 [0,1,0,1,0,0|1,0,1]=4 1671 B14R2.19008 CNC1c2cc(ccc2CC1C)Br 269862a_106832991636_100000694082 [0,1,0,1,0,0|2,0,0]=4 1672 B14R2.19008 CNC1c2cc(ccc2CC1C)C 269862a_106832991636_100000698133 [0,1,0,1,0,0|2,0,0]=4 1673 B14R2.19008 CNC1c2cc(ccc2CC1C)Cl 269862a_106832991636_100012183047 [0,1,0,1,0,0|2,0,0]=4 1674 B14R2.19008 CNC1c2cc(ccc2CC1C)F 269862a_106832991636_100000685414 [0,1,0,1,0,0|2,0,0]=4 1675 B14R2.3005 CC1(Cc2ccccc2C1O[13CH3])C 34a_200012242764_200025704644 [0,1,0,1,0,0|2,0,0]=4 1676 B14R2.3005 CC1(Cc2ccccc2C1O[13CH3])C 7a_200012242764_200025704644 [0,1,0,1,0,0|2,0,0]=4 1677 B14R2.3005 COC1c2ccccc2CC1(C)C 34a_200012242764_200000210301 [0,1,0,1,0,0|2,0,0]=4 1678 B14R2.3005 COC1c2ccccc2CC1(C)C 7a_200012242764_200000210301 [0,1,0,1,0,0|2,0,0]=4 1679 B14R2.642 CN(C)C1C(=O)Nc2c1cccc2 269982a_100102631434_200009996675 [0,1,0,1,0,0|1,0,0]=3 1680 B14R2.3259 CNC(c1ccccc1C)C2CC2 2230a_100102422801_200000210301 [0,1,0,1,0,0|2,0,0]=4 1681 B14R2.3259 CNC(c1ccccc1C)C2CC2 269862a_106832991636_100000754752 [0,1,0,1,0,0|2,0,0]=4 1682 B14R2.3259 CNC(c1ccccc1C)C2CC2 34a_100102422801_200000210301 [0,1,0,1,0,0|2,0,0]=4 1683 B14R2.3259 CNC(c1ccccc1O)C2CC2 269862a_106832991636_100010648536 [0,1,0,1,0,0|2,0,0]=4 1684 B14R2.3259 Cc1ccccc1C(N[13CH3])C2CC2 2230a_100102422801_200025704644 [0,1,0,1,0,0|2,0,0]=4 1685 B14R2.3259 Cc1ccccc1C(N[13CH3])C2CC2 34a_100102422801_200025704644 [0,1,0,1,0,0|2,0,0]=4 1686 B14R2.3328 CC(O[13CH3])(c1ccccc1)C2CC2 34a_100011216778_200025704644 [0,1,0,1,0,0|2,0,0]=4 1687 B14R2.3328 CC(O[13CH3])(c1ccccc1)C2CC2 7a_100011216778_200025704644 [0,1,0,1,0,0|2,0,0]=4 1688 B14R2.3328 COC(C)(c1ccccc1)C2CC2 34a_100011216778_200000210301 [0,1,0,1,0,0|2,0,0]=4 1689 B14R2.3328 COC(C)(c1ccccc1)C2CC2 7a_100011216778_200000210301 [0,1,0,1,0,0|2,0,0]=4 1690 B14R3.51 c1ccc2c(coc2c1)C3CC3 271570a_100011220607_100009812202 [0,0,0,2,0,0|0,0,2]=4 1691 B14R3.51 c1ccc2c(csc2c1)C3CC3 271570a_100011220607_100009813928 [0,0,0,2,0,0|0,1,1]=4 1692 B12R1.118 CCC(CC)Oc1ccccc1 7a_100000210340_100000210505 [1,0,0,0,0,1|1,0,1]=4 1693 B12R1.118 CCC(CC)Sc1ccccc1 62a_100000210505_100000041952 [1,0,0,0,0,1|1,0,1]=4 1694 B12R1.118 CCC(CC)Sc1ccccc1 62a_100000719477_100000210505 [1,0,0,0,0,1|1,0,1]=4 1695 B12R1.118 CCC(Cc1ccccc1)NC 270004a_106832991635_100000212045 [1,0,0,0,0,1|2,0,0]=4 1696 B12R1.118 CCC(Cc1ccccc1)OC 7a_100000760156_200000210301 [1,0,0,0,0,1|2,0,0]=4 1697 B12R1.118 CCC(Cc1ccccc1)O[13CH3] 7a_100000760156_200025704644 [1,0,0,0,0,1|2,0,0]=4 1698 B12R1.118 O=CC(C=O)Nc1ccccc1 34a_100000106764_100000736813 [1,0,0,0,0,1|1,0,1]=4 1699 B12R1.118 O=CC(C=O)Oc1ccccc1 34a_100000210340_100000736813 [1,0,0,0,0,1|1,0,1]=4 1700 B12R1.118 O=CC(C=O)Sc1ccccc1 62a_100000719477_100000736813 [1,0,0,0,0,1|1,0,1]=4 1701 B12R1.118 O=CC(C=O)Sc1ccccc1 62a_100000736813_100000041952 [1,0,0,0,0,1|1,0,1]=4 1702 B12R1.43 CC(C)C(=O)C[n+]1ccccc1 1458a_200000086051_100000210206 [1,0,0,0,0,1|1,0,1]=4 1703 B12R1.43 CC(C)C(=O)Cc1ccccc1 1458a_100000210198_100015291786 [1,0,0,0,0,1|0,0,1]=3 1704 B12R1.43 CC(C)C(=O)Cc1ccccn1 1458a_100000210198_100000721315 [1,0,0,0,0,1|1,0,1]=4 1705 B12R1.43 CC(C)C(=O)Cc1ccccn1 1458a_100000233486_100000210206 [1,0,0,0,0,1|1,0,1]=4 1706 B12R1.43 CC(C)C(=O)Cc1cccnc1 1458a_100000210198_100000733263 [1,0,0,0,0,1|1,0,1]=4 1707 B12R1.43 CC(C)C(=O)Cc1cccnc1 1458a_100000737805_100000210206 [1,0,0,0,0,1|1,0,1]=4 1708 B12R1.43 CC(C)C(=O)Cc1ccncc1 1458a_100000210198_100000705612 [1,0,0,0,0,1|1,0,1]=4 1709 B12R1.43 CC(C)C(=O)Nc1ccccc1 11a_100000106764_100000210198 [1,0,0,0,0,1|0,0,1]=3 1710 B12R1.43 CC(C)C(=O)Nc1ccccc1 1626a_100000106764_100000210198 [1,0,0,0,0,1|0,0,1]=3 1711 B12R1.43 CC(C)C(=O)Nc1ccccc1 22a_100000106764_100000210198 [1,0,0,0,0,1|0,0,1]=3 1712 B12R1.43 CC(C)C(=O)Nc1ccccc1 527a_100000106764_100000210198 [1,0,0,0,0,1|0,0,1]=3 1713 B12R1.43 CC(C)N(C)Cc1ccccc1 2230a_100000068392_200000210301 [1,0,0,0,0,1|1,0,1]=4 1714 B12R1.43 CC(C)N(C)Cc1ccccc1 2230a_100000186898_100000210206 [1,0,0,0,0,1|1,0,1]=4 1715 B12R1.43 CC(C)N(C)Cc1ccccc1 269982a_100000068392_200000210301 [1,0,0,0,0,1|1,0,1]=4 1716 B12R1.43 CC(C)N(C)Cc1ccccc1 269982a_100000186898_100000210206 [1,0,0,0,0,1|1,0,1]=4 1717 B12R1.43 CC(C)N(C)Cc1ccccc1 269982a_200000211004_100000211182 [1,0,0,0,0,1|1,0,1]=4 1718 B12R1.43 CC(C)N(C)Cc1ccccc1 270004a_200000211004_100015611070 [1,0,0,0,0,1|1,0,1]=4 1719 B12R1.43 CC(C)N([13CH3])Cc1ccccc1 2230a_100000068392_200025704644 [1,0,0,0,0,1|1,0,1]=4 1720 B12R1.43 CC(C)N([13CH3])Cc1ccccc1 269982a_100000068392_200025704644 [1,0,0,0,0,1|1,0,1]=4 1721 B12R1.43 CC(Cc1ccccc1)N(C)C 269982a_100102631434_200011218536 [1,0,0,0,0,1|1,0,1]=4 1722 B12R1.43 CC(F)C(=O)Cc1ccccc1 1458a_100000062450_100015291786 [1,0,0,0,0,1|1,0,1]=4 1723 B12R1.43 CC(F)C(=O)Nc1ccccc1 11a_100000106764_100000062450 [1,0,0,0,0,1|1,0,1]=4 1724 B12R1.43 CC(F)C(=O)Nc1ccccc1 1626a_100000106764_100000062450 [1,0,0,0,0,1|1,0,1]=4 1725 B12R1.43 CC(F)C(=O)Nc1ccccc1 22a_100000106764_100000062450 [1,0,0,0,0,1|1,0,1]=4 1726 B12R1.43 CC(F)C(=O)Nc1ccccc1 527a_100000106764_100000062450 [1,0,0,0,0,1|1,0,1]=4 1727 B12R1.43 CN(C)C(=O)Nc1ccccc1 2430a_100000106764_100102631434 [1,0,0,0,0,1|1,0,1]=4 1728 B12R1.43 C[C@@H](O)C(=O)Cc1ccccc1 1458a_100000717761_100015291786 [1,0,0,0,0,1|1,0,1]=4 1729 B12R1.43 C[C@@H](O)C(=O)Nc1ccccc1 22a_100000106764_100000717761 [1,0,0,0,0,1|1,0,1]=4 1730 B12R1.43 C[C@H](O)C(=O)Cc1ccccc1 1458a_217856618621_100015291786 [1,0,0,0,0,1|1,0,1]=4 1731 B12R1.43 C[C@H](O)C(=O)Nc1ccccc1 1626a_100000106764_217856618621 [1,0,0,0,0,1|1,0,1]=4 1732 B12R1.43 C[C@H](O)C(=O)Nc1ccccc1 22a_100000106764_217856618621 [1,0,0,0,0,1|1,0,1]=4 1733 B12R1.107 CC(C)CC(=O)c1ccccc1 1458a_100000185807_100000210624 [1,0,0,0,0,1|0,0,1]=3 1734 B12R1.107 CC(C)CN(C)c1ccccc1 2230a_100000210012_100000210760 [1,0,0,0,0,1|1,0,1]=4 1735 B12R1.107 CC(C)CN(C)c1ccccc1 269982a_100000210012_100000210624 [1,0,0,0,0,1|1,0,1]=4 1736 B12R1.107 CC(C)CN(C)c1ccccc1 34a_100000210012_100000210624 [1,0,0,0,0,1|1,0,1]=4 1737 B12R1.107 CC(C)C[C@H](N)c1ccccc1 271570a_100015190218_100000210277 [1,0,0,0,0,1|1,0,0]=3 1738 B12R1.107 CC(C)C[C@H](N)c1ccccn1 271570a_100015190218_100011216584 [1,0,0,0,0,1|2,0,0]=4 1739 B12R1.107 CC(C)C[C@H](N)c1cccnc1 271570a_100015190218_100000752921 [1,0,0,0,0,1|2,0,0]=4 1740 B12R1.107 CC(C)C[C@H](N)c1ccncc1 271570a_100015190218_100000035832 [1,0,0,0,0,1|2,0,0]=4 1741 B12R1.107 CC(C)NC(=O)c1ccccc1 11a_100138425928_100000185807 [1,0,0,0,0,1|0,0,1]=3 1742 B12R1.107 CC(C)NC(=O)c1ccccc1 1626a_100138425928_100000185807 [1,0,0,0,0,1|0,0,1]=3 1743 B12R1.107 CC(C)NC(=O)c1ccccc1 240690a_100138425928_100000185807 [1,0,0,0,0,1|0,0,1]=3 1744 B12R1.107 CC(C)NC(=O)c1ccccc1 527a_100138425928_100000185807 [1,0,0,0,0,1|0,0,1]=3 1745 B12R1.107 CC(C)NC(C)c1ccccc1 2230a_100138425928_100000230085 [1,0,0,0,0,1|0,0,1]=3 1746 B12R1.107 CC(C)NC(C)c1ccccc1 34a_100138425928_100000211855 [1,0,0,0,0,1|0,0,1]=3 1747 B12R1.107 CC(C)NC(C)c1ccccn1 2230a_100000181244_100000210206 [1,0,0,0,0,1|1,0,1]=4 1748 B12R1.107 CC(C)NC(C)c1cccnc1 2230a_100000195435_100000210206 [1,0,0,0,0,1|1,0,1]=4 1749 B12R1.107 CC(C)NC(C)c1ccncc1 2230a_100000181269_100000210206 [1,0,0,0,0,1|1,0,1]=4 1750 B12R1.107 CC(C)N[C@H](C)c1ccccc1 2230a_100000751104_100000210206 [1,0,0,0,0,1|0,0,1]=3 1751 B12R1.107 CC(C)OC(C)c1ccccc1 34a_100000212225_100000211855 [1,0,0,0,0,1|0,0,1]=3 1752 B12R1.107 CC(C)O[C@H](C)c1ccccc1 34a_100000761318_100000210206 [1,0,0,0,0,1|0,0,1]=3 1753 B12R1.107 CC(C)O[C@H](C)c1ccccc1 7a_100000761318_100000210206 [1,0,0,0,0,1|0,0,1]=3 1754 B12R1.107 CC(C)SC(C)c1ccccc1 62a_100000210206_100000230085 [1,0,0,0,0,1|0,0,1]=3 1755 B12R1.107 CC(C)SC(C)c1ccccc1 62a_100000230085_100000210206 [1,0,0,0,0,1|0,0,1]=3 1756 B12R1.107 CC(CN(C)C)c1ccccc1 2230a_100102631434_100000756946 [1,0,0,0,0,1|1,0,1]=4 1757 B12R1.107 CC(CN(C)C)c1ccccc1 269982a_100102631434_100000756946 [1,0,0,0,0,1|1,0,1]=4 1758 B12R1.107 CC(CN(C)C)c1ccccc1 270004a_100102631434_100000212034 [1,0,0,0,0,1|1,0,1]=4 1759 B12R1.107 CC(O)CC(=O)c1ccccc1 1458a_100000185807_100011218427 [1,0,0,0,0,1|1,0,1]=4 1760 B12R1.107 CN(C)CC(=O)c1ccccc1 269982a_100102631434_100000211460 [1,0,0,0,0,1|1,0,1]=4 1761 B12R1.107 CN(C)CC(O)c1ccccc1 2230a_100000227976_200000210301 [1,0,0,0,0,1|1,0,1]=4 1762 B12R1.107 CN(C)CC(O)c1ccccc1 2230a_100102631434_100000185958 [1,0,0,0,0,1|1,0,1]=4 1763 B12R1.107 CN(C)CC(O)c1ccccc1 269982a_100000227976_200000210301 [1,0,0,0,0,1|1,0,1]=4 1764 B12R1.107 CN(C)CS(=O)c1ccccc1 269982a_100102631434_100000031784 [1,0,0,0,0,1|2,0,0]=4 1765 B12R1.107 CN(C)C[C@@H](O)c1ccccc1 2230a_100102631434_100011933945 [1,0,0,0,0,1|1,0,1]=4 1766 B12R1.107 CN([13CH3])CC(O)c1ccccc1 2230a_100000227976_200025704644 [1,0,0,0,0,1|1,0,1]=4 1767 B12R1.107 CN([13CH3])CC(O)c1ccccc1 269982a_100000227976_200025704644 [1,0,0,0,0,1|1,0,1]=4 1768 B14R1.549 C#CC(Cc1ccccc1)OC(C)C 34a_100000685211_100000210206 [0,0,0,0,0,2|1,0,1]=4 1769 B14R1.549 C#CC(Cc1ccccc1)OC(C)C 7a_100000685211_100000210206 [0,0,0,0,0,2|1,0,1]=4 1770 B14R1.549 CC(C)CC(Cc1ccccc1)O[13CH3] 34a_100011350937_200025704644 [0,0,0,0,0,2|2,0,0]=4 1771 B14R1.549 CC(C)CC(Cc1ccccc1)O[13CH3] 7a_100011350937_200025704644 [0,0,0,0,0,2|2,0,0]=4 1772 B14R1.549 CC(C)NC(C#N)Cc1ccccc1 2230a_100000746547_100000210206 [0,0,0,0,0,2|1,0,1]=4 1773 B14R1.549 CC(C)NC(CO)Cc1ccccc1 2230a_100000739027_100000210206 [0,0,0,0,0,2|0,0,2]=4 1774 B14R1.549 CC(C)OC(CN)Cc1ccccc1 34a_100000752270_100000210206 [0,0,0,0,0,2|1,0,1]=4 1775 B14R1.549 CC(C)O[C@H](CCl)Cc1ccccc1 7a_100000729385_100000210206 [0,0,0,0,0,2|1,0,1]=4 1776 B14R1.549 CC(C)SC(C#N)Cc1ccccc1 62a_100000183401_100000210206 [0,0,0,0,0,2|1,0,1]=4 1777 B14R1.549 CC(C)SC(C#N)Cc1ccccc1 62a_100000210206_100000183401 [0,0,0,0,0,2|1,0,1]=4 1778 B14R1.549 CCC(Cc1ccccc1)OC(C)C 7a_100000760156_100000210206 [0,0,0,0,0,2|1,0,1]=4 1779 B14R1.549 COC(Cc1ccccc1)CC(C)C 34a_100011350937_200000210301 [0,0,0,0,0,2|2,0,0]=4 1780 B14R1.549 COC(Cc1ccccc1)CC(C)C 7a_100011350937_200000210301 [0,0,0,0,0,2|2,0,0]=4 1781 B14R1.4194 C#CC(OCc1ccccc1)C(C)C 34a_100011217124_100015291786 [0,0,0,0,0,2|1,0,1]=4 1782 B14R1.4194 C#CC(OCc1ccccc1)C(C)C 7a_100011217124_100000211182 [0,0,0,0,0,2|1,0,1]=4 1783 B14R1.4194 C=CC(OCc1ccccc1)C(C)C 34a_100000732651_100015291786 [0,0,0,0,0,2|1,0,0]=3 1784 B14R1.4194 C=CC(OCc1ccccc1)C(C)C 7a_100000732651_100000211182 [0,0,0,0,0,2|1,0,0]=3 1785 B14R1.4194 C=CC(OCc1ccccn1)C(C)C 34a_100000732651_100000721315 [0,0,0,0,0,2|2,0,0]=4 1786 B14R1.4194 C=CC(OCc1ccccn1)C(C)C 7a_100000732651_100000721315 [0,0,0,0,0,2|2,0,0]=4 1787 B14R1.4194 C=CC(OCc1cccnc1)C(C)C 34a_100000732651_100000733263 [0,0,0,0,0,2|2,0,0]=4 1788 B14R1.4194 C=CC(OCc1cccnc1)C(C)C 7a_100000732651_100000741622 [0,0,0,0,0,2|2,0,0]=4 1789 B14R1.4194 C=CC(OCc1ccncc1)C(C)C 7a_100000732651_100015193705 [0,0,0,0,0,2|2,0,0]=4 1790 B14R1.4194 CC(C)C(C#Cc1ccccc1)O[13CH3] 34a_200000035877_200025704644 [0,0,0,0,0,2|2,0,0]=4 1791 B14R1.4194 CC(C)C(C#Cc1ccccc1)O[13CH3] 7a_200000035877_200025704644 [0,0,0,0,0,2|2,0,0]=4 1792 B14R1.4194 CC(C)C(C#N)OCc1ccccc1 34a_100000748901_100015291786 [0,0,0,0,0,2|1,0,1]=4 1793 B14R1.4194 CC(C)C(C#N)OCc1ccccc1 7a_100000748901_100000211182 [0,0,0,0,0,2|1,0,1]=4 1794 B14R1.4194 CC(C)C(CN)OCc1ccccc1 34a_100000759067_100015291786 [0,0,0,0,0,2|1,0,1]=4 1795 B14R1.4194 CC(C)[C@H](CO)NCc1ccccc1 207a_100011830312_100015611070 [0,0,0,0,0,2|0,0,2]=4 1796 B14R1.4194 CC(C)[C@H](CO)NCc1ccccc1 2230a_100011830312_100015291786 [0,0,0,0,0,2|0,0,2]=4 1797 B14R1.4194 CC(C)[C@H](CO)NCc1ccccc1 270004a_100011830312_100015611070 [0,0,0,0,0,2|0,0,2]=4 1798 B14R1.4194 CC(C)[C@H](CO)NCc1ccccc1 34a_100011830312_100015291786 [0,0,0,0,0,2|0,0,2]=4 1799 B14R1.4194 CCC(NCc1ccccc1)C(C)C 207a_100000745074_100015611070 [0,0,0,0,0,2|1,0,1]=4 1800 B14R1.4194 CCC(NCc1ccccc1)C(C)C 270004a_100000745074_100015611070 [0,0,0,0,0,2|1,0,1]=4 1801 B14R1.4194 CCC(NCc1ccccc1)C(C)C 270004a_100015324214_100000210600 [0,0,0,0,0,2|1,0,1]=4 1802 B14R1.4194 CCC(OCc1ccccc1)C(C)C 34a_100011218073_100015291786 [0,0,0,0,0,2|1,0,1]=4 1803 B14R1.4194 CCC(OCc1ccccc1)C(C)C 7a_100011218073_100000211182 [0,0,0,0,0,2|1,0,1]=4 1804 B14R1.4194 COC(C#Cc1ccccc1)C(C)C 34a_200000035877_200000210301 [0,0,0,0,0,2|2,0,0]=4 1805 B14R1.4194 COC(C#Cc1ccccc1)C(C)C 7a_200000035877_200000210301 [0,0,0,0,0,2|2,0,0]=4 1806 B14R1.540 C#CC(OCC(C)C)c1ccccc1 34a_100011219616_100000210624 [0,0,0,0,0,2|1,0,1]=4 1807 B14R1.540 C#CC(OCC(C)C)c1ccccc1 7a_100011219616_100000210760 [0,0,0,0,0,2|1,0,1]=4 1808 B14R1.540 C=CC(=NNC(C)C)c1ccccc1 4a_100000741168_200000750708 [0,0,0,0,0,2|1,0,1]=4 1809 B14R1.540 C=CC(NCC(C)C)c1ccccc1 2230a_100000210953_200000085779 [0,0,0,0,0,2|1,0,0]=3 1810 B14R1.540 C=CC(NCC(C)O)c1ccccc1 2230a_100000210904_200000085779 [0,0,0,0,0,2|2,0,0]=4 1811 B14R1.540 C=CC(OCC(C)C)c1ccccc1 34a_100011215659_100000210624 [0,0,0,0,0,2|1,0,0]=3 1812 B14R1.540 C=CC(OCC(C)C)c1ccccc1 7a_100011215659_100000210760 [0,0,0,0,0,2|1,0,0]=3 1813 B14R1.540 C=CC(OCC(C)O)c1ccccc1 34a_100011215659_100011218427 [0,0,0,0,0,2|2,0,0]=4 1814 B14R1.540 C=CC(OCC(C)O)c1ccccc1 7a_100011215659_100011218427 [0,0,0,0,0,2|2,0,0]=4 1815 B14R1.540 C=CC(OC[C@@H](C)O)c1ccccc1 34a_100011215659_100009817552 [0,0,0,0,0,2|2,0,0]=4 1816 B14R1.540 C=CC(OC[C@@H](C)O)c1ccccc1 7a_100011215659_100009817552 [0,0,0,0,0,2|2,0,0]=4 1817 B14R1.540 C=CC(SCC(C)C)c1ccccc1 62a_100000210624_200000085779 [0,0,0,0,0,2|1,0,0]=3 1818 B14R1.540 C=CC(SCC(C)C)c1ccccc1 62a_200000085779_100000210760 [0,0,0,0,0,2|1,0,0]=3 1819 B14R1.540 C=CC(SCC(C)O)c1ccccc1 62a_100011218427_200000085779 [0,0,0,0,0,2|2,0,0]=4 1820 B14R1.540 C=CC(SCC(C)O)c1ccccc1 62a_200000085779_100011218427 [0,0,0,0,0,2|2,0,0]=4 1821 B14R1.540 C=CC(SC[C@@H](C)O)c1ccccc1 62a_100009817552_200000085779 [0,0,0,0,0,2|2,0,0]=4 1822 B14R1.540 C=CC(SC[C@@H](C)O)c1ccccc1 62a_200000085779_100009817552 [0,0,0,0,0,2|2,0,0]=4 1823 B14R1.540 CC(C)CN[C@H](CO)c1ccccc1 2230a_100000751927_100000210760 [0,0,0,0,0,2|0,0,2]=4 1824 B14R1.540 CC(C)CN[C@H](CO)c1ccccc1 270004a_100000751927_100000210432 [0,0,0,0,0,2|0,0,2]=4 1825 B14R1.540 CC(C)CN[C@H](CO)c1ccccc1 34a_100000751927_100000210624 [0,0,0,0,0,2|0,0,2]=4 1826 B14R1.540 CC(C)COC(C#N)c1ccccc1 7a_100011217353_100000210760 [0,0,0,0,0,2|1,0,1]=4 1827 B14R1.540 CC(C)COC(CBr)c1ccccc1 7a_100000185958_100000210760 [0,0,0,0,0,2|1,0,1]=4 1828 B14R1.540 CC(C)COC(CN)c1ccccc1 34a_100000210709_100000210624 [0,0,0,0,0,2|1,0,1]=4 1829 B14R1.540 CC(C)CO[C@H](CCl)c1ccccc1 34a_100011933945_100000210624 [0,0,0,0,0,2|1,0,1]=4 1830 B14R1.540 CC(C)CO[C@H](CCl)c1ccccc1 7a_100011933945_100000210760 [0,0,0,0,0,2|1,0,1]=4 1831 B14R1.540 CCC(COC(C)C)c1ccccc1 34a_100000752371_100000210206 [0,0,0,0,0,2|1,0,1]=4 1832 B14R1.540 CCC(COC(C)C)c1ccccc1 7a_100000752371_100000210206 [0,0,0,0,0,2|1,0,1]=4 1833 B14R1.540 CCC(NCC(C)C)c1ccccc1 2230a_100000737752_100000210760 [0,0,0,0,0,2|1,0,1]=4 1834 B14R1.540 CCC(NCC(C)C)c1ccccc1 269862a_100000210953_100000210124 [0,0,0,0,0,2|1,0,1]=4 1835 B14R1.540 CCC(NCC(C)C)c1ccccc1 270004a_100000737752_100000210432 [0,0,0,0,0,2|1,0,1]=4 1836 B14R1.540 CCC(OCC(C)C)c1ccccc1 34a_100000698172_100000210624 [0,0,0,0,0,2|1,0,1]=4 1837 B14R1.540 CCC(OCC(C)C)c1ccccc1 7a_100000698172_100000210760 [0,0,0,0,0,2|1,0,1]=4 1838 B14R1.540 CNC(CCC(C)C)c1ccccc1 269862a_106832991636_200011267664 [0,0,0,0,0,2|2,0,0]=4 1839 B14R1.540 COC(COC(C)C)c1ccccc1 34a_100011215540_100000210206 [0,0,0,0,0,2|2,0,0]=4 1840 B14R1.540 COC(COC(C)C)c1ccccc1 7a_100011215540_100000210206 [0,0,0,0,0,2|2,0,0]=4