0 B13R2.10 CN1CCC(C1)c2ccccc2 2230a_100000747531_200000210301 [0,0,0,0,0,0|3,0,0]=3 1 B13R2.10 CN1CCC(C1)c2ccccc2 269982a_100000747531_200000210301 [0,0,0,0,0,0|3,0,0]=3 2 B13R2.10 CN1CCC(C1)c2ccccc2 34a_100000747531_200000210301 [0,0,0,0,0,0|3,0,0]=3 3 B13R2.10 CN1CCC(C1)c2ccccn2 2230a_100102730755_200000210301 [0,0,0,0,0,0|4,0,0]=4 4 B13R2.10 CN1CCC(C1)c2ccccn2 269982a_100102730755_200000210301 [0,0,0,0,0,0|4,0,0]=4 5 B13R2.10 CN1CCC(C1)c2cccnc2 2230a_200015204282_200000210301 [0,0,0,0,0,0|4,0,0]=4 6 B13R2.10 CN1CCC(C1)c2cccnc2 269982a_200015204282_200000210301 [0,0,0,0,0,0|4,0,0]=4 7 B13R2.10 Cc1ccc(o1)c2ccccc2 271570a_100000061910_100000210277 [0,0,0,0,0,0|1,0,3]=4 8 B13R2.10 Cc1nnc(o1)c2ccccc2 271570a_100011218836_100000708914 [0,0,0,0,0,0|2,0,2]=4 9 B13R2.10 Cc1noc(n1)c2ccccc2 270196a_100000212224_100000185807 [0,0,0,0,0,0|2,0,2]=4 10 B13R2.10 [13CH3]N1CCC(C1)c2ccccc2 2230a_100000747531_200025704644 [0,0,0,0,0,0|3,0,0]=3 11 B13R2.10 [13CH3]N1CCC(C1)c2ccccc2 269982a_100000747531_200025704644 [0,0,0,0,0,0|3,0,0]=3 12 B13R2.10 [13CH3]N1CCC(C1)c2ccccc2 34a_100000747531_200025704644 [0,0,0,0,0,0|3,0,0]=3 13 B13R2.10 [13CH3]N1CCC(C1)c2ccccn2 2230a_100102730755_200025704644 [0,0,0,0,0,0|4,0,0]=4 14 B13R2.10 [13CH3]N1CCC(C1)c2ccccn2 269982a_100102730755_200025704644 [0,0,0,0,0,0|4,0,0]=4 15 B13R2.10 [13CH3]N1CCC(C1)c2cccnc2 2230a_200015204282_200025704644 [0,0,0,0,0,0|4,0,0]=4 16 B13R2.10 [13CH3]N1CCC(C1)c2cccnc2 269982a_200015204282_200025704644 [0,0,0,0,0,0|4,0,0]=4 17 B12R2.2 C1=C(CCC1)c2ccccc2 271570a_100000089523_100000210277 [1,0,0,0,0,0|2,0,1]=4 18 B14R2.8 CCN1CCC(C1)c2ccccc2 2230a_100000747531_100000210202 [0,1,0,0,0,0|3,0,0]=4 19 B14R2.8 CCN1CCC(C1)c2ccccc2 269982a_100000747531_100000204670 [0,1,0,0,0,0|3,0,0]=4 20 B14R2.8 CCN1CCC(C1)c2ccccc2 34a_100000747531_100000210202 [0,1,0,0,0,0|3,0,0]=4 21 B14R2.8 CNC1CCC(C1)c2ccccc2 270004a_106832991635_100000750937 [0,1,0,0,0,0|2,0,0]=3 22 B14R2.8 FCN1CCC(C1)c2ccccc2 269982a_100000747531_100015361967 [0,1,0,0,0,0|3,0,0]=4 23 B14R2.8 FCN1CCC(C1)c2ccccc2 34a_100000747531_100015361967 [0,1,0,0,0,0|3,0,0]=4 24 B14R2.20 CC1COC(O1)c2ccc(cc2)O 271570a_203496583355_200010007801 [0,1,0,0,0,0|0,0,0]=1 25 B14R2.20 CN1CCC(C1)c2ccc(cc2)Cl 2230a_100000754569_200000210301 [0,1,0,0,0,0|3,0,0]=4 26 B14R2.20 CN1CCC(C1)c2ccc(cc2)Cl 269982a_100000754569_200000210301 [0,1,0,0,0,0|3,0,0]=4 27 B14R2.20 CN1CCC(C1)c2ccc(cc2)Cl 34a_100000754569_200000210301 [0,1,0,0,0,0|3,0,0]=4 28 B14R2.20 CN1CCC(C1)c2ccc(cc2)F 2230a_200000685600_200000210301 [0,1,0,0,0,0|3,0,0]=4 29 B14R2.20 CN1CCC(C1)c2ccc(cc2)F 269982a_200000685600_200000210301 [0,1,0,0,0,0|3,0,0]=4 30 B14R2.20 CN1CCC(C1)c2ccc(cc2)F 34a_200000685600_200000210301 [0,1,0,0,0,0|3,0,0]=4 31 B14R2.20 [13CH3]N1CCC(C1)c2ccc(cc2)Cl 2230a_100000754569_200025704644 [0,1,0,0,0,0|3,0,0]=4 32 B14R2.20 [13CH3]N1CCC(C1)c2ccc(cc2)Cl 269982a_100000754569_200025704644 [0,1,0,0,0,0|3,0,0]=4 33 B14R2.20 [13CH3]N1CCC(C1)c2ccc(cc2)Cl 34a_100000754569_200025704644 [0,1,0,0,0,0|3,0,0]=4 34 B14R2.20 [13CH3]N1CCC(C1)c2ccc(cc2)F 2230a_200000685600_200025704644 [0,1,0,0,0,0|3,0,0]=4 35 B14R2.20 [13CH3]N1CCC(C1)c2ccc(cc2)F 269982a_200000685600_200025704644 [0,1,0,0,0,0|3,0,0]=4 36 B14R2.20 [13CH3]N1CCC(C1)c2ccc(cc2)F 34a_200000685600_200025704644 [0,1,0,0,0,0|3,0,0]=4 37 B14R2.256 CN1CCC(C1)c2ccccc2Br 2230a_100010170462_200000210301 [0,1,0,0,0,0|3,0,0]=4 38 B14R2.256 CN1CCC(C1)c2ccccc2Br 269982a_100010170462_200000210301 [0,1,0,0,0,0|3,0,0]=4 39 B14R2.256 CN1CCC(C1)c2ccccc2Br 34a_100010170462_200000210301 [0,1,0,0,0,0|3,0,0]=4 40 B14R2.256 CN1CCC(C1)c2ccccc2Cl 2230a_100015183920_200000210301 [0,1,0,0,0,0|3,0,0]=4 41 B14R2.256 CN1CCC(C1)c2ccccc2Cl 269982a_100015183920_200000210301 [0,1,0,0,0,0|3,0,0]=4 42 B14R2.256 CN1CCC(C1)c2ccccc2Cl 34a_100015183920_200000210301 [0,1,0,0,0,0|3,0,0]=4 43 B14R2.256 CN1CCC(C1)c2ccccc2F 2230a_100000704893_200000210301 [0,1,0,0,0,0|3,0,0]=4 44 B14R2.256 CN1CCC(C1)c2ccccc2F 269982a_100000704893_200000210301 [0,1,0,0,0,0|3,0,0]=4 45 B14R2.256 CN1CCC(C1)c2ccccc2F 34a_100000704893_200000210301 [0,1,0,0,0,0|3,0,0]=4 46 B14R2.256 [13CH3]N1CCC(C1)c2ccccc2Br 2230a_100010170462_200025704644 [0,1,0,0,0,0|3,0,0]=4 47 B14R2.256 [13CH3]N1CCC(C1)c2ccccc2Br 269982a_100010170462_200025704644 [0,1,0,0,0,0|3,0,0]=4 48 B14R2.256 [13CH3]N1CCC(C1)c2ccccc2Br 34a_100010170462_200025704644 [0,1,0,0,0,0|3,0,0]=4 49 B14R2.256 [13CH3]N1CCC(C1)c2ccccc2Cl 2230a_100015183920_200025704644 [0,1,0,0,0,0|3,0,0]=4 50 B14R2.256 [13CH3]N1CCC(C1)c2ccccc2Cl 269982a_100015183920_200025704644 [0,1,0,0,0,0|3,0,0]=4 51 B14R2.256 [13CH3]N1CCC(C1)c2ccccc2Cl 34a_100015183920_200025704644 [0,1,0,0,0,0|3,0,0]=4 52 B14R2.256 [13CH3]N1CCC(C1)c2ccccc2F 2230a_100000704893_200025704644 [0,1,0,0,0,0|3,0,0]=4 53 B14R2.256 [13CH3]N1CCC(C1)c2ccccc2F 269982a_100000704893_200025704644 [0,1,0,0,0,0|3,0,0]=4 54 B14R2.256 [13CH3]N1CCC(C1)c2ccccc2F 34a_100000704893_200025704644 [0,1,0,0,0,0|3,0,0]=4 55 B12R1.3 C#CC(OCC)c1ccccc1 34a_100011219616_100000210202 [0,0,1,0,0,0|1,0,1]=3 56 B12R1.3 C#CC(OCC)c1ccccc1 7a_100011219616_100000210202 [0,0,1,0,0,0|1,0,1]=3 57 B12R1.3 C#CC(OCF)c1ccccc1 34a_100011219616_100015361967 [0,0,1,0,0,0|2,0,1]=4 58 B12R1.3 C#CC(OCF)c1ccccc1 7a_100011219616_100015361967 [0,0,1,0,0,0|2,0,1]=4 59 B12R1.3 C=CC(NCC)c1ccccc1 2230a_100015525214_200000085779 [0,0,1,0,0,0|2,0,1]=4 60 B12R1.3 C=CC(OCC)c1ccccc1 34a_100011215659_100000210202 [0,0,1,0,0,0|1,0,1]=3 61 B12R1.3 C=CC(OCC)c1ccccc1 7a_100011215659_100000210202 [0,0,1,0,0,0|1,0,1]=3 62 B12R1.3 C=CC(OCF)c1ccccc1 34a_100011215659_100015361967 [0,0,1,0,0,0|2,0,1]=4 63 B12R1.3 C=CC(OCF)c1ccccc1 7a_100011215659_100015361967 [0,0,1,0,0,0|2,0,1]=4 64 B12R1.3 C=CC(SCC)c1ccccc1 62a_100000210202_200000085779 [0,0,1,0,0,0|1,1,1]=4 65 B12R1.3 C=CC(SCC)c1ccccc1 62a_200000085779_100000210202 [0,0,1,0,0,0|1,1,1]=4 66 B12R1.3 C=CCC(OC)c1ccccc1 34a_100000687291_200000210301 [0,0,1,0,0,0|1,0,2]=4 67 B12R1.3 C=CCC(OC)c1ccccc1 7a_100000687291_200000210301 [0,0,1,0,0,0|1,0,2]=4 68 B12R1.3 C=CCC(O[13CH3])c1ccccc1 34a_100000687291_200025704644 [0,0,1,0,0,0|1,0,2]=4 69 B12R1.3 C=CCC(O[13CH3])c1ccccc1 7a_100000687291_200025704644 [0,0,1,0,0,0|1,0,2]=4 70 B12R1.3 CCC(CNC)c1ccccc1 270004a_106832991635_100000753018 [0,0,1,0,0,0|3,0,0]=4 71 B12R1.3 CCC(COC)c1ccccc1 34a_100000752371_200000210301 [0,0,1,0,0,0|3,0,0]=4 72 B12R1.3 CCC(COC)c1ccccc1 7a_100000752371_200000210301 [0,0,1,0,0,0|3,0,0]=4 73 B12R1.3 CCC(CO[13CH3])c1ccccc1 34a_100000752371_200025704644 [0,0,1,0,0,0|3,0,0]=4 74 B12R1.3 CCC(CO[13CH3])c1ccccc1 7a_100000752371_200025704644 [0,0,1,0,0,0|3,0,0]=4 75 B12R1.3 CCC(OCF)c1ccccc1 34a_100000698172_100015361967 [0,0,1,0,0,0|2,0,0]=3 76 B12R1.3 CCC(OCF)c1ccccc1 7a_100000698172_100015361967 [0,0,1,0,0,0|2,0,0]=3 77 B12R1.3 CCCC(NC)c1ccccc1 2230a_100000189686_200000210301 [0,0,1,0,0,0|2,0,0]=3 78 B12R1.3 CCCC(NC)c1ccccc1 269862a_106832991636_100000211045 [0,0,1,0,0,0|2,0,0]=3 79 B12R1.3 CCCC(NC)c1ccccc1 34a_100000189686_200000210301 [0,0,1,0,0,0|2,0,0]=3 80 B12R1.3 CCCC(NC)c1ccccn1 269862a_106832991636_100000751832 [0,0,1,0,0,0|3,0,0]=4 81 B12R1.3 CCCC(NC)c1cccnc1 2230a_100011351308_200000210301 [0,0,1,0,0,0|3,0,0]=4 82 B12R1.3 CCCC(NC)c1cccnc1 269862a_106832991636_100000700227 [0,0,1,0,0,0|3,0,0]=4 83 B12R1.3 CCCC(NC)c1ccncc1 269862a_106832991636_100011350605 [0,0,1,0,0,0|3,0,0]=4 84 B12R1.3 CCCC(N[13CH3])c1ccccc1 2230a_100000189686_200025704644 [0,0,1,0,0,0|2,0,0]=3 85 B12R1.3 CCCC(N[13CH3])c1ccccc1 34a_100000189686_200025704644 [0,0,1,0,0,0|2,0,0]=3 86 B12R1.3 CCCC(N[13CH3])c1cccnc1 2230a_100011351308_200025704644 [0,0,1,0,0,0|3,0,0]=4 87 B12R1.3 CCCC(OC)c1ccccc1 34a_100000747916_200000210301 [0,0,1,0,0,0|1,0,0]=2 88 B12R1.3 CCCC(OC)c1ccccc1 7a_100000747916_200000210301 [0,0,1,0,0,0|1,0,0]=2 89 B12R1.3 CCCC(O[13CH3])c1ccccc1 34a_100000747916_200025704644 [0,0,1,0,0,0|1,0,0]=2 90 B12R1.3 CCCC(O[13CH3])c1ccccc1 7a_100000747916_200025704644 [0,0,1,0,0,0|1,0,0]=2 91 B12R1.3 CCCN(CC)c1ccccc1 2230a_100000210013_100000210303 [0,0,1,0,0,0|3,0,0]=4 92 B12R1.3 CCCN(CC)c1ccccc1 2230a_200011218496_100000210202 [0,0,1,0,0,0|3,0,0]=4 93 B12R1.3 CCCN(CC)c1ccccc1 269982a_100000210013_100000210303 [0,0,1,0,0,0|3,0,0]=4 94 B12R1.3 CCCN(CC)c1ccccc1 269982a_200011218496_100000204670 [0,0,1,0,0,0|3,0,0]=4 95 B12R1.3 CCCN(CC)c1ccccc1 34a_100000210013_100000210303 [0,0,1,0,0,0|3,0,0]=4 96 B12R1.3 CCCN(CC)c1ccccc1 34a_200011218496_100000210202 [0,0,1,0,0,0|3,0,0]=4 97 B12R1.3 CCNC(CC)c1ccccc1 2230a_100000737752_100000210202 [0,0,1,0,0,0|2,0,0]=3 98 B12R1.3 CCNC(CC)c1ccccc1 269862a_100015525214_100000210124 [0,0,1,0,0,0|2,0,0]=3 99 B12R1.3 CCNC(CC)c1ccccn1 2230a_100015186561_100000210202 [0,0,1,0,0,0|3,0,0]=4 100 B12R1.3 CCNC(CC)c1ccccn1 269862a_100015525214_100000748178 [0,0,1,0,0,0|3,0,0]=4 101 B12R1.3 CCNC(CC)c1cccnc1 2230a_100000246009_100000210202 [0,0,1,0,0,0|3,0,0]=4 102 B12R1.3 CCNC(CC)c1cccnc1 269862a_100015525214_100011218761 [0,0,1,0,0,0|3,0,0]=4 103 B12R1.3 CCNC(CC)c1ccncc1 269862a_100015525214_100011216016 [0,0,1,0,0,0|3,0,0]=4 104 B12R1.3 CCN[C@H](CO)c1ccccc1 2230a_100000751927_100000210202 [0,0,1,0,0,0|3,0,0]=4 105 B12R1.3 CCN[C@H](CO)c1ccccc1 34a_100000751927_100000210202 [0,0,1,0,0,0|3,0,0]=4 106 B12R1.3 CCOC(C#N)c1ccccc1 7a_100011217353_100000210202 [0,0,1,0,0,0|2,0,0]=3 107 B12R1.3 CCOC(CBr)c1ccccc1 7a_100000185958_100000210202 [0,0,1,0,0,0|2,0,0]=3 108 B12R1.3 CCOC(CC)c1ccccc1 34a_100000698172_100000210202 [0,0,1,0,0,0|1,0,0]=2 109 B12R1.3 CCOC(CC)c1ccccc1 7a_100000698172_100000210202 [0,0,1,0,0,0|1,0,0]=2 110 B12R1.3 CCOC(CN)c1ccccc1 34a_100000210709_100000210202 [0,0,1,0,0,0|2,0,0]=3 111 B12R1.3 CCO[C@H](CCl)c1ccccc1 34a_100011933945_100000210202 [0,0,1,0,0,0|2,0,0]=3 112 B12R1.3 CCO[C@H](CCl)c1ccccc1 7a_100011933945_100000210202 [0,0,1,0,0,0|2,0,0]=3 113 B12R1.3 CNC(CCCl)c1ccccc1 2230a_106832991635_200010132975 [0,0,1,0,0,0|3,0,0]=4 114 B12R1.3 CNC(CCCl)c1ccccc1 7a_106832991635_200010132975 [0,0,1,0,0,0|3,0,0]=4 115 B12R1.3 CNC(COC)c1ccccc1 269862a_106832991636_100000765260 [0,0,1,0,0,0|3,0,0]=4 116 B12R1.3 CN[C@@H](CCO)c1ccccc1 2230a_100025705951_200000210301 [0,0,1,0,0,0|3,0,0]=4 117 B12R1.3 CN[C@H](COC)c1ccccc1 2230a_103619048568_200000210301 [0,0,1,0,0,0|3,0,0]=4 118 B12R1.3 CN[C@H](COC)c1ccccc1 34a_103619048568_200000210301 [0,0,1,0,0,0|3,0,0]=4 119 B12R1.3 COC(CCN)c1ccccc1 34a_100000763605_200000210301 [0,0,1,0,0,0|2,0,0]=3 120 B12R1.3 COC(CO[13CH3])c1ccccc1 34a_100011215540_200025704644 [0,0,1,0,0,0|2,0,0]=3 121 B12R1.3 COC(CO[13CH3])c1ccccc1 7a_100011215540_200025704644 [0,0,1,0,0,0|2,0,0]=3 122 B12R1.3 COCC(OC)c1ccccc1 34a_100011215540_200000210301 [0,0,1,0,0,0|2,0,0]=3 123 B12R1.3 COCC(OC)c1ccccc1 7a_100011215540_200000210301 [0,0,1,0,0,0|2,0,0]=3 124 B12R1.3 COC[C@@H](N[13CH3])c1ccccc1 2230a_103619048568_200025704644 [0,0,1,0,0,0|3,0,0]=4 125 B12R1.3 COC[C@@H](N[13CH3])c1ccccc1 34a_103619048568_200025704644 [0,0,1,0,0,0|3,0,0]=4 126 B12R1.3 CO[C@H](CC#N)c1ccccc1 7a_100009817555_200000210301 [0,0,1,0,0,0|2,0,1]=4 127 B12R1.3 CO[C@H](CCCl)c1ccccc1 34a_100000729684_200000210301 [0,0,1,0,0,0|2,0,0]=3 128 B12R1.3 CO[C@H](CCCl)c1ccccc1 7a_100000729684_200000210301 [0,0,1,0,0,0|2,0,0]=3 129 B12R1.3 CSC(CCCl)c1ccccc1 62a_200000210301_200010132975 [0,0,1,0,0,0|2,1,0]=4 130 B12R1.3 CSC(CCCl)c1ccccc1 62a_200010132975_200000210301 [0,0,1,0,0,0|2,1,0]=4 131 B12R1.3 FCOC(CBr)c1ccccc1 7a_100000185958_100015361967 [0,0,1,0,0,0|3,0,0]=4 132 B12R1.3 FCO[C@H](CCl)c1ccccc1 34a_100011933945_100015361967 [0,0,1,0,0,0|3,0,0]=4 133 B12R1.3 FCO[C@H](CCl)c1ccccc1 7a_100011933945_100015361967 [0,0,1,0,0,0|3,0,0]=4 134 B12R1.3 N#CC(OCF)c1ccccc1 7a_100011217353_100015361967 [0,0,1,0,0,0|3,0,0]=4 135 B12R1.3 NCC(OCF)c1ccccc1 34a_100000210709_100015361967 [0,0,1,0,0,0|3,0,0]=4 136 B12R1.3 [13CH3]N[C@@H](CCO)c1ccccc1 2230a_100025705951_200025704644 [0,0,1,0,0,0|3,0,0]=4 137 B12R1.3 [13CH3]OC(CCN)c1ccccc1 34a_100000763605_200025704644 [0,0,1,0,0,0|2,0,0]=3 138 B12R1.3 [13CH3]O[C@H](CC#N)c1ccccc1 7a_100009817555_200025704644 [0,0,1,0,0,0|2,0,1]=4 139 B12R1.3 [13CH3]O[C@H](CCCl)c1ccccc1 34a_100000729684_200025704644 [0,0,1,0,0,0|2,0,0]=3 140 B12R1.3 [13CH3]O[C@H](CCCl)c1ccccc1 7a_100000729684_200025704644 [0,0,1,0,0,0|2,0,0]=3 141 B12R1.3 [13CH3]SC(CCCl)c1ccccc1 62a_200010132975_200025704644 [0,0,1,0,0,0|2,1,0]=4 142 B12R1.3 [13CH3]SC(CCCl)c1ccccc1 62a_200025704644_200010132975 [0,0,1,0,0,0|2,1,0]=4 143 B12R1.27 C#CC(C)NCc1ccccc1 2230a_100000707721_100015291786 [0,0,1,0,0,0|2,0,1]=4 144 B12R1.27 C#CC(C)NCc1ccccc1 270004a_100000707721_100015611070 [0,0,1,0,0,0|2,0,1]=4 145 B12R1.27 C#CC(C)NCc1ccccc1 34a_100000707721_100015291786 [0,0,1,0,0,0|2,0,1]=4 146 B12R1.27 C#CC(C)NCc1ccccc1 34a_100015324214_200000035995 [0,0,1,0,0,0|2,0,1]=4 147 B12R1.27 C#CC(C)OCc1ccccc1 34a_100000210790_200000035995 [0,0,1,0,0,0|1,0,1]=3 148 B12R1.27 C#CC(C)SCc1ccccc1 62a_200000035995_100015291786 [0,0,1,0,0,0|1,1,1]=4 149 B12R1.27 C#C[C@@H](C)OCc1ccccc1 34a_100009815206_100015291786 [0,0,1,0,0,0|1,0,1]=3 150 B12R1.27 C#C[C@@H](C)OCc1ccccc1 7a_100009815206_100000211182 [0,0,1,0,0,0|1,0,1]=3 151 B12R1.27 C#C[C@@H](C)OCc1ccccn1 34a_100009815206_100000721315 [0,0,1,0,0,0|2,0,1]=4 152 B12R1.27 C#C[C@@H](C)OCc1ccccn1 7a_100009815206_100000721315 [0,0,1,0,0,0|2,0,1]=4 153 B12R1.27 C#C[C@@H](C)OCc1cccnc1 34a_100009815206_100000733263 [0,0,1,0,0,0|2,0,1]=4 154 B12R1.27 C#C[C@@H](C)OCc1cccnc1 7a_100009815206_100000741622 [0,0,1,0,0,0|2,0,1]=4 155 B12R1.27 C#C[C@@H](C)OCc1ccncc1 7a_100009815206_100015193705 [0,0,1,0,0,0|2,0,1]=4 156 B12R1.27 C=CC(C)OCc1ccccc1 34a_100000695699_100015291786 [0,0,1,0,0,0|1,0,1]=3 157 B12R1.27 C=CC(C)OCc1ccccn1 34a_100000695699_100000721315 [0,0,1,0,0,0|2,0,1]=4 158 B12R1.27 C=CC(C)OCc1cccnc1 34a_100000695699_100000733263 [0,0,1,0,0,0|2,0,1]=4 159 B12R1.27 C=CC(C)SCc1ccccc1 62a_100011215867_100015291786 [0,0,1,0,0,0|1,1,1]=4 160 B12R1.27 CC(=NNc1ccccc1)CO 4a_100015195140_100000211253 [0,0,1,0,0,0|2,0,1]=4 161 B12R1.27 CC(C#N)NCc1ccccc1 2230a_100000737613_100015291786 [0,0,1,0,0,0|2,0,1]=4 162 B12R1.27 CC(C#N)NCc1ccccc1 2230a_100015324214_100000184139 [0,0,1,0,0,0|2,0,1]=4 163 B12R1.27 CC(C#N)OCc1ccccc1 34a_100011218135_100015291786 [0,0,1,0,0,0|1,0,1]=3 164 B12R1.27 CC(C#N)OCc1ccccc1 7a_100000210790_100000703298 [0,0,1,0,0,0|1,0,1]=3 165 B12R1.27 CC(C#N)OCc1ccccn1 34a_100011218135_100000721315 [0,0,1,0,0,0|2,0,1]=4 166 B12R1.27 CC(C#N)OCc1cccnc1 34a_100011218135_100000733263 [0,0,1,0,0,0|2,0,1]=4 167 B12R1.27 CC(C#N)SCc1ccccc1 62a_100000211182_100000703298 [0,0,1,0,0,0|1,1,1]=4 168 B12R1.27 CC(C#N)SCc1ccccc1 62a_100000703298_100015291786 [0,0,1,0,0,0|1,1,1]=4 169 B12R1.27 CC(CCc1ccccc1)N[13CH3] 2230a_100000210798_200025704644 [0,0,1,0,0,0|3,0,0]=4 170 B12R1.27 CC(CCc1ccccc1)N[13CH3] 34a_100000210798_200025704644 [0,0,1,0,0,0|3,0,0]=4 171 B12R1.27 CC(CF)OCc1ccccc1 34a_100016041109_100015291786 [0,0,1,0,0,0|1,0,0]=2 172 B12R1.27 CC(CF)OCc1ccccc1 7a_100016041109_100000211182 [0,0,1,0,0,0|1,0,0]=2 173 B12R1.27 CC(CF)OCc1ccccn1 34a_100016041109_100000721315 [0,0,1,0,0,0|2,0,0]=3 174 B12R1.27 CC(CF)OCc1ccccn1 7a_100016041109_100000721315 [0,0,1,0,0,0|2,0,0]=3 175 B12R1.27 CC(CF)OCc1cccnc1 34a_100016041109_100000733263 [0,0,1,0,0,0|2,0,0]=3 176 B12R1.27 CC(CF)OCc1cccnc1 7a_100016041109_100000741622 [0,0,1,0,0,0|2,0,0]=3 177 B12R1.27 CC(CF)OCc1cccnn1 34a_100016041109_100016990269 [0,0,1,0,0,0|3,0,0]=4 178 B12R1.27 CC(CF)OCc1cccnn1 7a_100016041109_100016990269 [0,0,1,0,0,0|3,0,0]=4 179 B12R1.27 CC(CF)OCc1ccncc1 7a_100016041109_100015193705 [0,0,1,0,0,0|2,0,0]=3 180 B12R1.27 CC(CF)OCc1cnccn1 34a_100016041109_100016995436 [0,0,1,0,0,0|3,0,0]=4 181 B12R1.27 CC(CF)OCc1cnccn1 7a_100016041109_100016995436 [0,0,1,0,0,0|3,0,0]=4 182 B12R1.27 CC(CF)OCc1cncnc1 34a_100016041109_100015196519 [0,0,1,0,0,0|3,0,0]=4 183 B12R1.27 CC(CF)OCc1cncnc1 7a_100016041109_100015196519 [0,0,1,0,0,0|3,0,0]=4 184 B12R1.27 CC(CF)OCc1ncccn1 34a_100016041109_100000703007 [0,0,1,0,0,0|3,0,0]=4 185 B12R1.27 CC(CF)OCc1ncccn1 7a_100016041109_100000703007 [0,0,1,0,0,0|3,0,0]=4 186 B12R1.27 CC(CN)OCc1ccccc1 34a_100000210904_100015291786 [0,0,1,0,0,0|1,0,0]=2 187 B12R1.27 CC(CN)OCc1ccccn1 34a_100000210904_100000721315 [0,0,1,0,0,0|2,0,0]=3 188 B12R1.27 CC(CN)OCc1cccnc1 34a_100000210904_100000733263 [0,0,1,0,0,0|2,0,0]=3 189 B12R1.27 CC(CN)OCc1cccnn1 34a_100000210904_100016990269 [0,0,1,0,0,0|3,0,0]=4 190 B12R1.27 CC(CN)OCc1cnccn1 34a_100000210904_100016995436 [0,0,1,0,0,0|3,0,0]=4 191 B12R1.27 CC(CN)OCc1cncnc1 34a_100000210904_100015196519 [0,0,1,0,0,0|3,0,0]=4 192 B12R1.27 CC(CN)OCc1ncccn1 34a_100000210904_100000703007 [0,0,1,0,0,0|3,0,0]=4 193 B12R1.27 CC(CO)NCc1ccccc1 2230a_100015324214_100012180447 [0,0,1,0,0,0|1,0,0]=2 194 B12R1.27 CC(CO)NCc1ccccc1 34a_100015324214_100012180447 [0,0,1,0,0,0|1,0,0]=2 195 B12R1.27 CC(CO)NCc1cccnn1 2230a_100159270163_100012180447 [0,0,1,0,0,0|3,0,0]=4 196 B12R1.27 CC(CO)NCc1cncnc1 2230a_100011243677_100012180447 [0,0,1,0,0,0|3,0,0]=4 197 B12R1.27 CC(CO)OCc1ccccc1 34a_100000210790_100012180447 [0,0,1,0,0,0|0,0,0]=1 198 B12R1.27 CC(CO)OCc1ccccc1 7a_100000210790_100012180447 [0,0,1,0,0,0|0,0,0]=1 199 B12R1.27 CC(CO)SCc1ccccc1 62a_100012180447_100015291786 [0,0,1,0,0,0|0,1,0]=2 200 B12R1.27 CC(CO)SCc1ccccn1 62a_100012180447_100000721315 [0,0,1,0,0,0|1,1,0]=3 201 B12R1.27 CC(CO)SCc1cccnc1 62a_100012180447_100000741622 [0,0,1,0,0,0|1,1,0]=3 202 B12R1.27 CC(CO)SCc1cccnn1 62a_100012180447_100016990269 [0,0,1,0,0,0|2,1,0]=4 203 B12R1.27 CC(CO)SCc1ccncc1 62a_100012180447_100015193705 [0,0,1,0,0,0|1,1,0]=3 204 B12R1.27 CC(CO)SCc1cnccn1 62a_100012180447_100016995436 [0,0,1,0,0,0|2,1,0]=4 205 B12R1.27 CC(CO)SCc1cncnc1 62a_100012180447_100015196519 [0,0,1,0,0,0|2,1,0]=4 206 B12R1.27 CC(CO)SCc1ncccn1 62a_100012180447_100000703007 [0,0,1,0,0,0|2,1,0]=4 207 B12R1.27 CCC(C)CNc1ccccc1 34a_100000106764_100000748023 [0,0,1,0,0,0|3,0,0]=4 208 B12R1.27 CCC(C)COc1ccccc1 34a_100000210340_100000748023 [0,0,1,0,0,0|3,0,0]=4 209 B12R1.27 CCC(C)COc1ccccc1 7a_100000210340_100000748023 [0,0,1,0,0,0|3,0,0]=4 210 B12R1.27 CCC(C)CSc1ccccc1 62a_100000719477_100000748023 [0,0,1,0,0,0|3,0,0]=4 211 B12R1.27 CCC(C)CSc1ccccc1 62a_100000748023_100000041952 [0,0,1,0,0,0|3,0,0]=4 212 B12R1.27 CCC(C)NCc1ccccc1 207a_100000209981_100015611070 [0,0,1,0,0,0|2,0,0]=3 213 B12R1.27 CCC(C)NCc1ccccc1 2230a_100000209981_100015291786 [0,0,1,0,0,0|2,0,0]=3 214 B12R1.27 CCC(C)NCc1ccccc1 2230a_100015324214_100000758301 [0,0,1,0,0,0|2,0,0]=3 215 B12R1.27 CCC(C)NCc1ccccc1 270004a_100000209981_100015611070 [0,0,1,0,0,0|2,0,0]=3 216 B12R1.27 CCC(C)NCc1ccccc1 34a_100015324214_100011215416 [0,0,1,0,0,0|2,0,0]=3 217 B12R1.27 CCC(C)NCc1ccccn1 207a_100000209981_100000209966 [0,0,1,0,0,0|3,0,0]=4 218 B12R1.27 CCC(C)NCc1ccccn1 2230a_100000209981_100000721315 [0,0,1,0,0,0|3,0,0]=4 219 B12R1.27 CCC(C)NCc1ccccn1 270004a_100000209981_100000209966 [0,0,1,0,0,0|3,0,0]=4 220 B12R1.27 CCC(C)NCc1cccnc1 207a_100000209981_100000209961 [0,0,1,0,0,0|3,0,0]=4 221 B12R1.27 CCC(C)NCc1cccnc1 2230a_100000209981_100000741622 [0,0,1,0,0,0|3,0,0]=4 222 B12R1.27 CCC(C)NCc1cccnc1 270004a_100000209981_100000209961 [0,0,1,0,0,0|3,0,0]=4 223 B12R1.27 CCC(C)NCc1ccncc1 207a_100000209981_100000186114 [0,0,1,0,0,0|3,0,0]=4 224 B12R1.27 CCC(C)NCc1ccncc1 2230a_100000209981_100015193705 [0,0,1,0,0,0|3,0,0]=4 225 B12R1.27 CCC(C)OCc1ccccc1 34a_100000210790_100011215416 [0,0,1,0,0,0|1,0,0]=2 226 B12R1.27 CCC(C)OCc1ccccc1 7a_100000210228_100000211182 [0,0,1,0,0,0|1,0,0]=2 227 B12R1.27 CCC(C)OCc1ccccc1 7a_100000210790_100000758301 [0,0,1,0,0,0|1,0,0]=2 228 B12R1.27 CCC(C)OCc1ccccn1 7a_100000210228_100000721315 [0,0,1,0,0,0|2,0,0]=3 229 B12R1.27 CCC(C)OCc1cccnc1 7a_100000210228_100000741622 [0,0,1,0,0,0|2,0,0]=3 230 B12R1.27 CCC(C)OCc1cccnn1 7a_100000210228_100016990269 [0,0,1,0,0,0|3,0,0]=4 231 B12R1.27 CCC(C)OCc1ccncc1 7a_100000210228_100015193705 [0,0,1,0,0,0|2,0,0]=3 232 B12R1.27 CCC(C)OCc1cnccn1 7a_100000210228_100016995436 [0,0,1,0,0,0|3,0,0]=4 233 B12R1.27 CCC(C)OCc1cncnc1 7a_100000210228_100015196519 [0,0,1,0,0,0|3,0,0]=4 234 B12R1.27 CCC(C)OCc1ncccn1 7a_100000210228_100000703007 [0,0,1,0,0,0|3,0,0]=4 235 B12R1.27 CCC(C)SCc1ccccc1 62a_100000211182_100000758301 [0,0,1,0,0,0|1,1,0]=3 236 B12R1.27 CCC(C)SCc1ccccc1 62a_100000758301_100015291786 [0,0,1,0,0,0|1,1,0]=3 237 B12R1.27 CCC(C)SCc1ccccn1 62a_100000721315_100000758301 [0,0,1,0,0,0|2,1,0]=4 238 B12R1.27 CCC(C)SCc1ccccn1 62a_100000758301_100000721315 [0,0,1,0,0,0|2,1,0]=4 239 B12R1.27 CCC(C)SCc1cccnc1 62a_100000741622_100000758301 [0,0,1,0,0,0|2,1,0]=4 240 B12R1.27 CCC(C)SCc1cccnc1 62a_100000758301_100000741622 [0,0,1,0,0,0|2,1,0]=4 241 B12R1.27 CCC(C)SCc1ccncc1 62a_100000758301_100015193705 [0,0,1,0,0,0|2,1,0]=4 242 B12R1.27 CCC(C)SCc1ccncc1 62a_100015193705_100000758301 [0,0,1,0,0,0|2,1,0]=4 243 B12R1.27 CCN(C)CCc1ccccc1 2230a_100000207497_100000210202 [0,0,1,0,0,0|3,0,0]=4 244 B12R1.27 CCN(C)CCc1ccccc1 2230a_100000225621_100000765856 [0,0,1,0,0,0|3,0,0]=4 245 B12R1.27 CCN(C)CCc1ccccc1 2230a_100000741020_200000210301 [0,0,1,0,0,0|3,0,0]=4 246 B12R1.27 CCN(C)CCc1ccccc1 269982a_100000207497_100000204670 [0,0,1,0,0,0|3,0,0]=4 247 B12R1.27 CCN(C)CCc1ccccc1 269982a_100000225621_100000765856 [0,0,1,0,0,0|3,0,0]=4 248 B12R1.27 CCN(C)CCc1ccccc1 269982a_100000741020_200000210301 [0,0,1,0,0,0|3,0,0]=4 249 B12R1.27 CCN([13CH3])CCc1ccccc1 2230a_100000741020_200025704644 [0,0,1,0,0,0|3,0,0]=4 250 B12R1.27 CCN([13CH3])CCc1ccccc1 269982a_100000741020_200025704644 [0,0,1,0,0,0|3,0,0]=4 251 B12R1.27 CC[C@H](C)CNc1ccccc1 34a_100000106764_100009816398 [0,0,1,0,0,0|3,0,0]=4 252 B12R1.27 CC[C@H](C)COc1ccccc1 34a_100000210340_100009816398 [0,0,1,0,0,0|3,0,0]=4 253 B12R1.27 CC[C@H](C)COc1ccccc1 7a_100000210340_100009816398 [0,0,1,0,0,0|3,0,0]=4 254 B12R1.27 CC[C@H](C)CSc1ccccc1 62a_100000719477_100009816398 [0,0,1,0,0,0|3,0,0]=4 255 B12R1.27 CC[C@H](C)CSc1ccccc1 62a_100009816398_100000041952 [0,0,1,0,0,0|3,0,0]=4 256 B12R1.27 CN(CF)CCc1ccccc1 269982a_100000207497_100015361967 [0,0,1,0,0,0|3,0,0]=4 257 B12R1.27 CNC(C)CCc1ccccc1 2230a_100000210798_200000210301 [0,0,1,0,0,0|3,0,0]=4 258 B12R1.27 CNC(C)CCc1ccccc1 270004a_106832991635_100000210092 [0,0,1,0,0,0|3,0,0]=4 259 B12R1.27 CNC(C)CCc1ccccc1 34a_100000210798_200000210301 [0,0,1,0,0,0|3,0,0]=4 260 B12R1.27 COC(C)SCc1ccccc1 62a_100000211182_100009879195 [0,0,1,0,0,0|2,1,0]=4 261 B12R1.27 COC(C)SCc1ccccc1 62a_100009879195_100015291786 [0,0,1,0,0,0|2,1,0]=4 262 B12R1.27 CO[C@@H](C)CCc1ccccc1 34a_100009815974_200000210301 [0,0,1,0,0,0|3,0,0]=4 263 B12R1.27 CO[C@@H](C)CCc1ccccc1 7a_100009815974_200000210301 [0,0,1,0,0,0|3,0,0]=4 264 B12R1.27 C[C@@H](CCc1ccccc1)O[13CH3] 34a_100009815974_200025704644 [0,0,1,0,0,0|3,0,0]=4 265 B12R1.27 C[C@@H](CCc1ccccc1)O[13CH3] 7a_100009815974_200025704644 [0,0,1,0,0,0|3,0,0]=4 266 B12R1.27 C[C@@H](CO)CNc1ccccc1 34a_100000106764_100000059175 [0,0,1,0,0,0|2,0,0]=3 267 B12R1.27 C[C@@H](CO)COc1ccccc1 34a_100000210340_100000059175 [0,0,1,0,0,0|2,0,0]=3 268 B12R1.27 C[C@@H](CO)COc1ccccc1 7a_100000210340_100000059175 [0,0,1,0,0,0|2,0,0]=3 269 B12R1.27 C[C@@H](CO)COc1cccnc1 34a_100000210849_100000059175 [0,0,1,0,0,0|3,0,0]=4 270 B12R1.27 C[C@@H](CO)COc1cccnc1 7a_100000210849_100000059175 [0,0,1,0,0,0|3,0,0]=4 271 B12R1.27 C[C@@H](CO)COc1ccncc1 34a_100000212176_100000059175 [0,0,1,0,0,0|3,0,0]=4 272 B12R1.27 C[C@@H](CO)CSc1ccccc1 62a_100000059175_100000041952 [0,0,1,0,0,0|2,0,0]=3 273 B12R1.27 C[C@@H](CO)CSc1ccccc1 62a_100000719477_100000059175 [0,0,1,0,0,0|2,0,0]=3 274 B12R1.27 C[C@@H](CO)CSc1ccccn1 62a_100000059175_100011216584 [0,0,1,0,0,0|3,0,0]=4 275 B12R1.27 C[C@@H](CO)CSc1ccccn1 62a_100011216584_100000059175 [0,0,1,0,0,0|3,0,0]=4 276 B12R1.27 C[C@@H](CO)CSc1cccnc1 62a_100000059175_100000210063 [0,0,1,0,0,0|3,0,0]=4 277 B12R1.27 C[C@@H](CO)CSc1cccnc1 62a_100000210063_100000059175 [0,0,1,0,0,0|3,0,0]=4 278 B12R1.27 C[C@@H](CO)CSc1ccncc1 62a_100000059175_100000728582 [0,0,1,0,0,0|3,0,0]=4 279 B12R1.27 C[C@@H](CO)CSc1ccncc1 62a_100000728582_100000059175 [0,0,1,0,0,0|3,0,0]=4 280 B12R1.27 C[C@H](CF)NCc1ccccc1 207a_100102880703_100015611070 [0,0,1,0,0,0|2,0,0]=3 281 B12R1.27 C[C@H](CF)NCc1ccccc1 270004a_100102880703_100015611070 [0,0,1,0,0,0|2,0,0]=3 282 B12R1.27 C[C@H](CF)NCc1ccccn1 207a_100102880703_100000209966 [0,0,1,0,0,0|3,0,0]=4 283 B12R1.27 C[C@H](CF)NCc1ccccn1 270004a_100102880703_100000209966 [0,0,1,0,0,0|3,0,0]=4 284 B12R1.27 C[C@H](CF)NCc1cccnc1 207a_100102880703_100000209961 [0,0,1,0,0,0|3,0,0]=4 285 B12R1.27 C[C@H](CF)NCc1cccnc1 270004a_100102880703_100000209961 [0,0,1,0,0,0|3,0,0]=4 286 B12R1.27 C[C@H](CF)NCc1ccncc1 207a_100102880703_100000186114 [0,0,1,0,0,0|3,0,0]=4 287 B12R1.27 C[C@H](CO)NCc1ccccc1 207a_100000737577_100015611070 [0,0,1,0,0,0|1,0,0]=2 288 B12R1.27 C[C@H](CO)NCc1ccccc1 2230a_100000737577_100015291786 [0,0,1,0,0,0|1,0,0]=2 289 B12R1.27 C[C@H](CO)NCc1ccccc1 270004a_100000737577_100015611070 [0,0,1,0,0,0|1,0,0]=2 290 B12R1.27 C[C@H](CO)NCc1ccccn1 207a_100000737577_100000209966 [0,0,1,0,0,0|2,0,0]=3 291 B12R1.27 C[C@H](CO)NCc1ccccn1 2230a_100000737577_100000721315 [0,0,1,0,0,0|2,0,0]=3 292 B12R1.27 C[C@H](CO)NCc1ccccn1 270004a_100000737577_100000209966 [0,0,1,0,0,0|2,0,0]=3 293 B12R1.27 C[C@H](CO)NCc1cccnc1 207a_100000737577_100000209961 [0,0,1,0,0,0|2,0,0]=3 294 B12R1.27 C[C@H](CO)NCc1cccnc1 2230a_100000737577_100000741622 [0,0,1,0,0,0|2,0,0]=3 295 B12R1.27 C[C@H](CO)NCc1cccnc1 270004a_100000737577_100000209961 [0,0,1,0,0,0|2,0,0]=3 296 B12R1.27 C[C@H](CO)NCc1cccnn1 2230a_100000737577_100016990269 [0,0,1,0,0,0|3,0,0]=4 297 B12R1.27 C[C@H](CO)NCc1ccncc1 207a_100000737577_100000186114 [0,0,1,0,0,0|2,0,0]=3 298 B12R1.27 C[C@H](CO)NCc1ccncc1 2230a_100000737577_100015193705 [0,0,1,0,0,0|2,0,0]=3 299 B12R1.27 C[C@H](CO)NCc1ccnnc1 270004a_100000737577_100011934578 [0,0,1,0,0,0|3,0,0]=4 300 B12R1.27 C[C@H](CO)NCc1cnccn1 2230a_100000737577_100016995436 [0,0,1,0,0,0|3,0,0]=4 301 B12R1.27 C[C@H](CO)NCc1cnccn1 270004a_100000737577_100000749867 [0,0,1,0,0,0|3,0,0]=4 302 B12R1.27 C[C@H](CO)NCc1cncnc1 2230a_100000737577_100015196519 [0,0,1,0,0,0|3,0,0]=4 303 B12R1.27 C[C@H](CO)NCc1cncnc1 270004a_100000737577_100000749868 [0,0,1,0,0,0|3,0,0]=4 304 B12R1.27 C[C@H](CO)NCc1ncccn1 2230a_100000737577_100000703007 [0,0,1,0,0,0|3,0,0]=4 305 B12R1.27 C[C@H](CO)NCc1ncccn1 270004a_100000737577_100011532527 [0,0,1,0,0,0|3,0,0]=4 306 B12R1.27 C[C@H](CO)SCc1ccccc1 62a_100000211182_100016084084 [0,0,1,0,0,0|0,1,0]=2 307 B12R1.27 C[C@H](CO)SCc1ccccc1 62a_100016084084_100015291786 [0,0,1,0,0,0|0,1,0]=2 308 B12R1.27 C[C@H](CO)SCc1ccccn1 62a_100000721315_100016084084 [0,0,1,0,0,0|1,1,0]=3 309 B12R1.27 C[C@H](CO)SCc1ccccn1 62a_100016084084_100000721315 [0,0,1,0,0,0|1,1,0]=3 310 B12R1.27 C[C@H](CO)SCc1cccnc1 62a_100000741622_100016084084 [0,0,1,0,0,0|1,1,0]=3 311 B12R1.27 C[C@H](CO)SCc1cccnc1 62a_100016084084_100000741622 [0,0,1,0,0,0|1,1,0]=3 312 B12R1.27 C[C@H](CO)SCc1cccnn1 62a_100016084084_100016990269 [0,0,1,0,0,0|2,1,0]=4 313 B12R1.27 C[C@H](CO)SCc1cccnn1 62a_100016990269_100016084084 [0,0,1,0,0,0|2,1,0]=4 314 B12R1.27 C[C@H](CO)SCc1ccncc1 62a_100015193705_100016084084 [0,0,1,0,0,0|1,1,0]=3 315 B12R1.27 C[C@H](CO)SCc1ccncc1 62a_100016084084_100015193705 [0,0,1,0,0,0|1,1,0]=3 316 B12R1.27 C[C@H](CO)SCc1cnccn1 62a_100016084084_100016995436 [0,0,1,0,0,0|2,1,0]=4 317 B12R1.27 C[C@H](CO)SCc1cnccn1 62a_100016995436_100016084084 [0,0,1,0,0,0|2,1,0]=4 318 B12R1.27 C[C@H](CO)SCc1cncnc1 62a_100015196519_100016084084 [0,0,1,0,0,0|2,1,0]=4 319 B12R1.27 C[C@H](CO)SCc1cncnc1 62a_100016084084_100015196519 [0,0,1,0,0,0|2,1,0]=4 320 B12R1.27 C[C@H](CO)SCc1ncccn1 62a_100000703007_100016084084 [0,0,1,0,0,0|2,1,0]=4 321 B12R1.27 C[C@H](CO)SCc1ncccn1 62a_100016084084_100000703007 [0,0,1,0,0,0|2,1,0]=4 322 B12R1.27 O=C(CO)CCc1ccccc1 1458a_100000210174_100000765856 [0,0,1,0,0,0|2,0,1]=4 323 B12R1.27 O=C(CO)NCc1ccccc1 240690a_100015324214_100000210174 [0,0,1,0,0,0|2,0,1]=4 324 B12R1.27 O=C(CO)NCc1ccccc1 527a_100015324214_100000210174 [0,0,1,0,0,0|2,0,1]=4 325 B12R1.27 OCC(O)CNc1ccccc1 34a_100000106764_100011219619 [0,0,1,0,0,0|3,0,0]=4 326 B12R1.27 OCC(O)COc1ccccc1 34a_100000210340_100011219619 [0,0,1,0,0,0|3,0,0]=4 327 B12R1.27 OCC(O)COc1ccccc1 7a_100000210340_100011219619 [0,0,1,0,0,0|3,0,0]=4 328 B12R1.27 OCC(O)CSc1ccccc1 62a_100000719477_100011219619 [0,0,1,0,0,0|3,0,0]=4 329 B12R1.27 OCC(O)CSc1ccccc1 62a_100011219619_100000041952 [0,0,1,0,0,0|3,0,0]=4 330 B12R1.27 OC[C@H](O)CNc1ccccc1 34a_100000106764_100009815848 [0,0,1,0,0,0|3,0,0]=4 331 B12R1.27 OC[C@H](O)COc1ccccc1 34a_100000210340_100009815848 [0,0,1,0,0,0|3,0,0]=4 332 B12R1.27 OC[C@H](O)COc1ccccc1 7a_100000210340_100009815848 [0,0,1,0,0,0|3,0,0]=4 333 B12R1.27 OC[C@H](O)CSc1ccccc1 62a_100000719477_100009815848 [0,0,1,0,0,0|3,0,0]=4 334 B12R1.27 OC[C@H](O)CSc1ccccc1 62a_100009815848_100000041952 [0,0,1,0,0,0|3,0,0]=4 335 B12R1.30 C#CCOC(C)c1ccccc1 34a_100000210247_100000211855 [0,0,1,0,0,0|1,0,2]=4 336 B12R1.30 C#CCO[C@H](C)c1ccccc1 34a_100000761318_100000184674 [0,0,1,0,0,0|1,0,2]=4 337 B12R1.30 C#CCO[C@H](C)c1ccccc1 7a_100000761318_100000038162 [0,0,1,0,0,0|1,0,2]=4 338 B12R1.30 C=CCOC(C)c1ccccc1 34a_200000210373_100000211855 [0,0,1,0,0,0|1,0,2]=4 339 B12R1.30 C=CCO[C@H](C)c1ccccc1 34a_100000761318_100015514636 [0,0,1,0,0,0|1,0,2]=4 340 B12R1.30 C=CCO[C@H](C)c1ccccc1 7a_100000761318_100015514636 [0,0,1,0,0,0|1,0,2]=4 341 B12R1.30 CC(NCCF)c1ccccc1 269862a_100000724931_100000185851 [0,0,1,0,0,0|3,0,0]=4 342 B12R1.30 CC(NCCF)c1ccccc1 34a_100000724931_100000211855 [0,0,1,0,0,0|3,0,0]=4 343 B12R1.30 CC(NCCO)c1ccccc1 2230a_100016997473_100000230085 [0,0,1,0,0,0|3,0,0]=4 344 B12R1.30 CC(NCCO)c1ccccc1 269862a_100000210304_100000185851 [0,0,1,0,0,0|3,0,0]=4 345 B12R1.30 CC(NCCO)c1ccccc1 34a_100016990907_100000211855 [0,0,1,0,0,0|3,0,0]=4 346 B12R1.30 CC(OCCBr)c1ccccc1 34a_100000211926_100000211855 [0,0,1,0,0,0|2,0,0]=3 347 B12R1.30 CC(OCCN)c1ccccc1 34a_100000210304_100000211855 [0,0,1,0,0,0|2,0,0]=3 348 B12R1.30 CC(SCCF)c1ccccc1 62a_100000230085_100011217306 [0,0,1,0,0,0|2,1,0]=4 349 B12R1.30 CC(SCCF)c1ccccc1 62a_100011217306_100000230085 [0,0,1,0,0,0|2,1,0]=4 350 B12R1.30 CC(SCCO)c1ccccc1 62a_100000211926_100000230085 [0,0,1,0,0,0|2,1,0]=4 351 B12R1.30 CC(SCCO)c1ccccc1 62a_100000230085_100000211926 [0,0,1,0,0,0|2,1,0]=4 352 B12R1.30 CCCCC(=O)c1ccccc1 1458a_100000185807_100000210211 [0,0,1,0,0,0|1,0,2]=4 353 B12R1.30 CCCCN(C)c1ccccc1 2230a_100000210012_100000210211 [0,0,1,0,0,0|3,0,0]=4 354 B12R1.30 CCCCN(C)c1ccccc1 2230a_100000211623_200000210301 [0,0,1,0,0,0|3,0,0]=4 355 B12R1.30 CCCCN(C)c1ccccc1 269982a_100000210012_100000210211 [0,0,1,0,0,0|3,0,0]=4 356 B12R1.30 CCCCN(C)c1ccccc1 269982a_100000211623_200000210301 [0,0,1,0,0,0|3,0,0]=4 357 B12R1.30 CCCCN(C)c1ccccc1 34a_100000210012_100000210210 [0,0,1,0,0,0|3,0,0]=4 358 B12R1.30 CCCCN(C)c1ccccc1 34a_100000211623_200000210301 [0,0,1,0,0,0|3,0,0]=4 359 B12R1.30 CCCCN([13CH3])c1ccccc1 2230a_100000211623_200025704644 [0,0,1,0,0,0|3,0,0]=4 360 B12R1.30 CCCCN([13CH3])c1ccccc1 269982a_100000211623_200025704644 [0,0,1,0,0,0|3,0,0]=4 361 B12R1.30 CCCCN([13CH3])c1ccccc1 34a_100000211623_200025704644 [0,0,1,0,0,0|3,0,0]=4 362 B12R1.30 CCCNC(=O)c1ccccc1 11a_100020643023_100000185807 [0,0,1,0,0,0|1,0,2]=4 363 B12R1.30 CCCNC(=O)c1ccccc1 1626a_100020643023_100000185807 [0,0,1,0,0,0|1,0,2]=4 364 B12R1.30 CCCNC(=O)c1ccccc1 240690a_100020643023_100000185807 [0,0,1,0,0,0|1,0,2]=4 365 B12R1.30 CCCNC(=O)c1ccccc1 527a_100020643023_100000185807 [0,0,1,0,0,0|1,0,2]=4 366 B12R1.30 CCCNC(C)c1ccccc1 269862a_100020643023_100000185851 [0,0,1,0,0,0|2,0,0]=3 367 B12R1.30 CCCNC(C)c1ccccn1 2230a_100000181244_100000210303 [0,0,1,0,0,0|3,0,0]=4 368 B12R1.30 CCCNC(C)c1ccccn1 269862a_100020643023_100000210467 [0,0,1,0,0,0|3,0,0]=4 369 B12R1.30 CCCNC(C)c1cccnc1 2230a_100000195435_100000210303 [0,0,1,0,0,0|3,0,0]=4 370 B12R1.30 CCCNC(C)c1cccnc1 269862a_100020643023_100000210468 [0,0,1,0,0,0|3,0,0]=4 371 B12R1.30 CCCNC(C)c1ccncc1 2230a_100000181269_100000210303 [0,0,1,0,0,0|3,0,0]=4 372 B12R1.30 CCCNC(C)c1ccncc1 269862a_100020643023_100000185792 [0,0,1,0,0,0|3,0,0]=4 373 B12R1.30 CCCN[C@H](C)c1ccccc1 2230a_100000751104_100000210303 [0,0,1,0,0,0|2,0,0]=3 374 B12R1.30 CCCOC(C)c1ccccc1 34a_100000210258_100000211855 [0,0,1,0,0,0|1,0,0]=2 375 B12R1.30 CCCO[C@H](C)c1ccccc1 34a_100000761318_100000210303 [0,0,1,0,0,0|1,0,0]=2 376 B12R1.30 CCCO[C@H](C)c1ccccc1 7a_100000761318_100000210303 [0,0,1,0,0,0|1,0,0]=2 377 B12R1.30 CCCSC(C)c1ccccc1 62a_100000210303_100000230085 [0,0,1,0,0,0|1,1,0]=3 378 B12R1.30 CCCSC(C)c1ccccc1 62a_100000230085_100000210303 [0,0,1,0,0,0|1,1,0]=3 379 B12R1.30 CCNCC(C)c1ccccc1 2230a_100000701038_100000210202 [0,0,1,0,0,0|3,0,0]=4 380 B12R1.30 CCNCC(C)c1ccccc1 2230a_100015525214_100000756946 [0,0,1,0,0,0|3,0,0]=4 381 B12R1.30 CCNCC(C)c1ccccc1 270004a_100015525214_100000212034 [0,0,1,0,0,0|3,0,0]=4 382 B12R1.30 CCNCC(C)c1ccccc1 34a_100000701038_100000210202 [0,0,1,0,0,0|3,0,0]=4 383 B12R1.30 CCNCC(O)c1ccccc1 2230a_100000210709_100000210202 [0,0,1,0,0,0|2,0,0]=3 384 B12R1.30 CCNCC(O)c1ccccc1 2230a_100015525214_100000185958 [0,0,1,0,0,0|2,0,0]=3 385 B12R1.30 CCNCC(O)c1ccccn1 2230a_100000691469_100000210202 [0,0,1,0,0,0|3,0,0]=4 386 B12R1.30 CCNCC(O)c1cccnc1 2230a_100020605170_100000210202 [0,0,1,0,0,0|3,0,0]=4 387 B12R1.30 CCNC[C@@H](O)c1ccccc1 2230a_100015525214_100011933945 [0,0,1,0,0,0|2,0,0]=3 388 B12R1.30 CCOCC(C)c1ccccc1 34a_100011215166_100000210202 [0,0,1,0,0,0|3,0,0]=4 389 B12R1.30 CCOCC(C)c1ccccc1 34a_100121572206_100000756946 [0,0,1,0,0,0|3,0,0]=4 390 B12R1.30 CCOCC(C)c1ccccc1 7a_100011215166_100000210202 [0,0,1,0,0,0|3,0,0]=4 391 B12R1.30 CCOCC(O)c1ccccc1 34a_100121572206_100000185958 [0,0,1,0,0,0|2,0,0]=3 392 B12R1.30 CCOC[C@@H](N)c1ccccc1 34a_100000751927_100000210202 [0,0,1,0,0,0|3,0,0]=4 393 B12R1.30 CCOC[C@@H](O)c1ccccc1 34a_100121572206_100011933945 [0,0,1,0,0,0|2,0,0]=3 394 B12R1.30 CCSCC(C)c1ccccc1 62a_100000210202_100000756946 [0,0,1,0,0,0|3,0,0]=4 395 B12R1.30 CCSCC(C)c1ccccc1 62a_100000756946_100000210202 [0,0,1,0,0,0|3,0,0]=4 396 B12R1.30 CCSCC(O)c1ccccc1 62a_100000185958_100000210202 [0,0,1,0,0,0|2,0,0]=3 397 B12R1.30 CCSCC(O)c1ccccc1 62a_100000210202_100000185958 [0,0,1,0,0,0|2,0,0]=3 398 B12R1.30 CCSC[C@@H](O)c1ccccc1 62a_100000210202_100011933945 [0,0,1,0,0,0|2,0,0]=3 399 B12R1.30 CCSC[C@@H](O)c1ccccc1 62a_100011933945_100000210202 [0,0,1,0,0,0|2,0,0]=3 400 B12R1.30 CNCCC(C)c1ccccc1 270004a_106832991635_100000189432 [0,0,1,0,0,0|3,0,0]=4 401 B12R1.30 CNCCC(O)c1ccccc1 2230a_100000763605_200000210301 [0,0,1,0,0,0|2,0,0]=3 402 B12R1.30 CNCC[C@@H](O)c1ccccc1 2230a_106832991635_100000729684 [0,0,1,0,0,0|2,0,0]=3 403 B12R1.30 CNCC[C@@H](O)c1ccccc1 34a_100102657272_100000729684 [0,0,1,0,0,0|2,0,0]=3 404 B12R1.30 CNCC[C@@H](O)c1ccccc1 7a_106832991635_100000729684 [0,0,1,0,0,0|2,0,0]=3 405 B12R1.30 CNCOC(=O)c1ccccc1 7a_106832991635_100000073877 [0,0,1,0,0,0|1,0,2]=4 406 B12R1.30 COCC[C@@H](O)c1ccccc1 34a_100138415774_100000729684 [0,0,1,0,0,0|2,0,0]=3 407 B12R1.30 COCC[C@H](N)c1ccccc1 34a_100025705951_200000210301 [0,0,1,0,0,0|3,0,0]=4 408 B12R1.30 COCN[C@H](C)c1ccccc1 2230a_100000751104_100000766300 [0,0,1,0,0,0|3,0,0]=4 409 B12R1.30 COCSC(C)c1ccccc1 62a_100000230085_100000766300 [0,0,1,0,0,0|2,1,0]=4 410 B12R1.30 COCSC(C)c1ccccc1 62a_100000766300_100000230085 [0,0,1,0,0,0|2,1,0]=4 411 B12R1.30 CSCC[C@@H](O)c1ccccc1 62a_100000729684_200000210301 [0,0,1,0,0,0|2,0,0]=3 412 B12R1.30 CSCC[C@@H](O)c1ccccc1 62a_200000210301_100000729684 [0,0,1,0,0,0|2,0,0]=3 413 B12R1.30 CSCN[C@H](C)c1ccccc1 2230a_100000751104_100011218213 [0,0,1,0,0,0|3,0,0]=4 414 B12R1.30 CSCOC(=O)c1ccccc1 62a_100000073877_200000210301 [0,0,1,0,0,0|1,0,2]=4 415 B12R1.30 CSCOC(=O)c1ccccc1 62a_200000210301_100000073877 [0,0,1,0,0,0|1,0,2]=4 416 B12R1.30 CSCO[C@H](C)c1ccccc1 34a_100000761318_100011218213 [0,0,1,0,0,0|2,0,0]=3 417 B12R1.30 CSCSC(C)c1ccccc1 62a_100000230085_100011218213 [0,0,1,0,0,0|2,1,0]=4 418 B12R1.30 CSCSC(C)c1ccccc1 62a_100011218213_100000230085 [0,0,1,0,0,0|2,1,0]=4 419 B12R1.30 C[C@@H](NCCF)c1ccccc1 2230a_100000751104_100011217306 [0,0,1,0,0,0|3,0,0]=4 420 B12R1.30 C[C@@H](NCCO)c1ccccc1 2230a_100000751104_100000211926 [0,0,1,0,0,0|3,0,0]=4 421 B12R1.30 C[C@@H](OCC#N)c1ccccc1 7a_100000761318_100011215382 [0,0,1,0,0,0|2,0,1]=4 422 B12R1.30 C[C@@H](OCC=O)c1ccccc1 34a_100000761318_200009817547 [0,0,1,0,0,0|2,0,1]=4 423 B12R1.30 C[C@@H](OCC=O)c1ccccc1 7a_100000761318_200015260668 [0,0,1,0,0,0|2,0,1]=4 424 B12R1.30 C[C@@H](OCCF)c1ccccc1 34a_100000761318_100011217306 [0,0,1,0,0,0|2,0,0]=3 425 B12R1.30 C[C@@H](OCCF)c1ccccc1 7a_100000761318_100011217306 [0,0,1,0,0,0|2,0,0]=3 426 B12R1.30 C[C@@H](OCCO)c1ccccc1 34a_100000761318_100000211926 [0,0,1,0,0,0|2,0,0]=3 427 B12R1.30 C[C@@H](OCCO)c1ccccc1 7a_100000761318_100000211926 [0,0,1,0,0,0|2,0,0]=3 428 B12R1.30 OC(CSCF)c1ccccc1 62a_100000185958_100015361967 [0,0,1,0,0,0|3,0,0]=4 429 B12R1.30 OC(CSCF)c1ccccc1 62a_100015361967_100000185958 [0,0,1,0,0,0|3,0,0]=4 430 B12R1.30 O[C@H](CSCF)c1ccccc1 62a_100011933945_100015361967 [0,0,1,0,0,0|3,0,0]=4 431 B12R1.30 O[C@H](CSCF)c1ccccc1 62a_100015361967_100011933945 [0,0,1,0,0,0|3,0,0]=4 432 B12R1.30 [13CH3]NCCC(O)c1ccccc1 2230a_100000763605_200025704644 [0,0,1,0,0,0|2,0,0]=3 433 B12R1.30 [13CH3]OCC[C@H](N)c1ccccc1 34a_100025705951_200025704644 [0,0,1,0,0,0|3,0,0]=4 434 B12R1.30 [13CH3]SCC[C@@H](O)c1ccccc1 62a_100000729684_200025704644 [0,0,1,0,0,0|2,0,0]=3 435 B12R1.30 [13CH3]SCC[C@@H](O)c1ccccc1 62a_200025704644_100000729684 [0,0,1,0,0,0|2,0,0]=3 436 B12R1.30 [13CH3]SCOC(=O)c1ccccc1 62a_100000073877_200025704644 [0,0,1,0,0,0|1,0,2]=4 437 B12R1.30 [13CH3]SCOC(=O)c1ccccc1 62a_200025704644_100000073877 [0,0,1,0,0,0|1,0,2]=4 438 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000070787_100000185958 [0,0,1,0,0,0|2,0,1]=4 439 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000690199_200000210301 [0,0,1,0,0,0|2,0,1]=4 440 B12R1.107 CC(=O)C[C@@H](O)c1ccccc1 1458a_100000070787_100011933945 [0,0,1,0,0,0|2,0,1]=4 441 B12R1.107 CC(C)CC(=O)c1ccccc1 1458a_100000185807_100000210624 [0,0,1,0,0,0|1,0,2]=4 442 B12R1.107 CC(C)CN(C)c1ccccc1 2230a_100000210012_100000210760 [0,0,1,0,0,0|3,0,0]=4 443 B12R1.107 CC(C)CN(C)c1ccccc1 269982a_100000210012_100000210624 [0,0,1,0,0,0|3,0,0]=4 444 B12R1.107 CC(C)CN(C)c1ccccc1 34a_100000210012_100000210624 [0,0,1,0,0,0|3,0,0]=4 445 B12R1.107 CC(C)C[C@H](N)c1ccccc1 271570a_100015190218_100000210277 [0,0,1,0,0,0|2,0,0]=3 446 B12R1.107 CC(C)C[C@H](N)c1ccccn1 271570a_100015190218_100011216584 [0,0,1,0,0,0|3,0,0]=4 447 B12R1.107 CC(C)C[C@H](N)c1cccnc1 271570a_100015190218_100000752921 [0,0,1,0,0,0|3,0,0]=4 448 B12R1.107 CC(C)C[C@H](N)c1ccncc1 271570a_100015190218_100000035832 [0,0,1,0,0,0|3,0,0]=4 449 B12R1.107 CC(C)NC(=O)c1ccccc1 11a_100138425928_100000185807 [0,0,1,0,0,0|1,0,2]=4 450 B12R1.107 CC(C)NC(=O)c1ccccc1 1626a_100138425928_100000185807 [0,0,1,0,0,0|1,0,2]=4 451 B12R1.107 CC(C)NC(=O)c1ccccc1 240690a_100138425928_100000185807 [0,0,1,0,0,0|1,0,2]=4 452 B12R1.107 CC(C)NC(=O)c1ccccc1 527a_100138425928_100000185807 [0,0,1,0,0,0|1,0,2]=4 453 B12R1.107 CC(C)NC(C)c1ccccc1 2230a_100138425928_100000230085 [0,0,1,0,0,0|2,0,0]=3 454 B12R1.107 CC(C)NC(C)c1ccccc1 34a_100138425928_100000211855 [0,0,1,0,0,0|2,0,0]=3 455 B12R1.107 CC(C)NC(C)c1ccccn1 2230a_100000181244_100000210206 [0,0,1,0,0,0|3,0,0]=4 456 B12R1.107 CC(C)NC(C)c1cccnc1 2230a_100000195435_100000210206 [0,0,1,0,0,0|3,0,0]=4 457 B12R1.107 CC(C)NC(C)c1ccncc1 2230a_100000181269_100000210206 [0,0,1,0,0,0|3,0,0]=4 458 B12R1.107 CC(C)N[C@H](C)c1ccccc1 2230a_100000751104_100000210206 [0,0,1,0,0,0|2,0,0]=3 459 B12R1.107 CC(C)OC(C)c1ccccc1 34a_100000212225_100000211855 [0,0,1,0,0,0|1,0,0]=2 460 B12R1.107 CC(C)O[C@H](C)c1ccccc1 34a_100000761318_100000210206 [0,0,1,0,0,0|1,0,0]=2 461 B12R1.107 CC(C)O[C@H](C)c1ccccc1 7a_100000761318_100000210206 [0,0,1,0,0,0|1,0,0]=2 462 B12R1.107 CC(C)SC(C)c1ccccc1 62a_100000210206_100000230085 [0,0,1,0,0,0|1,1,0]=3 463 B12R1.107 CC(C)SC(C)c1ccccc1 62a_100000230085_100000210206 [0,0,1,0,0,0|1,1,0]=3 464 B12R1.107 CC(CN(C)C)c1ccccc1 2230a_100102631434_100000756946 [0,0,1,0,0,0|3,0,0]=4 465 B12R1.107 CC(CN(C)C)c1ccccc1 269982a_100102631434_100000756946 [0,0,1,0,0,0|3,0,0]=4 466 B12R1.107 CC(CN(C)C)c1ccccc1 270004a_100102631434_100000212034 [0,0,1,0,0,0|3,0,0]=4 467 B12R1.107 CN(C)CC(O)c1ccccc1 2230a_100000227976_200000210301 [0,0,1,0,0,0|2,0,0]=3 468 B12R1.107 CN(C)CC(O)c1ccccc1 2230a_100102631434_100000185958 [0,0,1,0,0,0|2,0,0]=3 469 B12R1.107 CN(C)CC(O)c1ccccc1 269982a_100000227976_200000210301 [0,0,1,0,0,0|2,0,0]=3 470 B12R1.107 CN(C)C[C@@H](O)c1ccccc1 2230a_100102631434_100011933945 [0,0,1,0,0,0|2,0,0]=3 471 B12R1.107 CN([13CH3])CC(O)c1ccccc1 2230a_100000227976_200025704644 [0,0,1,0,0,0|2,0,0]=3 472 B12R1.107 CN([13CH3])CC(O)c1ccccc1 269982a_100000227976_200025704644 [0,0,1,0,0,0|2,0,0]=3 473 B12R1.107 [13CH3]C(=O)CC(O)c1ccccc1 1458a_100000690199_200025704644 [0,0,1,0,0,0|2,0,1]=4 474 B12R1.252 C=C(C)CNCc1ccccc1 2230a_100015324214_100000748629 [0,0,1,0,0,0|2,0,1]=4 475 B12R1.252 C=C(C)CNCc1ccccc1 34a_100015324214_100000748629 [0,0,1,0,0,0|2,0,1]=4 476 B12R1.252 C=C(C)COCc1ccccc1 34a_100000210245_100015291786 [0,0,1,0,0,0|1,0,1]=3 477 B12R1.252 C=C(C)COCc1ccccc1 34a_100000210790_100000748629 [0,0,1,0,0,0|1,0,1]=3 478 B12R1.252 C=C(C)COCc1ccccc1 7a_100000210790_100000748629 [0,0,1,0,0,0|1,0,1]=3 479 B12R1.252 C=C(C)COCc1ccccn1 34a_100000210245_100000721315 [0,0,1,0,0,0|2,0,1]=4 480 B12R1.252 C=C(C)COCc1cccnc1 34a_100000210245_100000733263 [0,0,1,0,0,0|2,0,1]=4 481 B12R1.252 C=C(C)CSCc1ccccc1 62a_100000211182_100000211660 [0,0,1,0,0,0|1,1,1]=4 482 B12R1.252 C=C(C)CSCc1ccccc1 62a_100000748629_100015291786 [0,0,1,0,0,0|1,1,1]=4 483 B12R1.252 C=C(F)COCc1ccccc1 34a_100000210790_100009893438 [0,0,1,0,0,0|1,0,2]=4 484 B12R1.252 C=C(F)COCc1ccccc1 34a_200010262243_100015291786 [0,0,1,0,0,0|1,0,2]=4 485 B12R1.252 C=C(F)COCc1ccccc1 7a_100000210790_100000042424 [0,0,1,0,0,0|1,0,2]=4 486 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100000070787_100000211621 [0,0,1,0,0,0|1,0,2]=4 487 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100011207963_200000210301 [0,0,1,0,0,0|1,0,2]=4 488 B12R1.252 CC(=O)COCc1ccccc1 1458a_100000230186_200000210301 [0,0,1,0,0,0|0,0,2]=3 489 B12R1.252 CC(=O)COCc1ccccc1 34a_100000211253_100015291786 [0,0,1,0,0,0|0,0,2]=3 490 B12R1.252 CC(=O)COCc1ccccn1 34a_100000211253_100000721315 [0,0,1,0,0,0|1,0,2]=4 491 B12R1.252 CC(=O)COCc1cccnc1 34a_100000211253_100000733263 [0,0,1,0,0,0|1,0,2]=4 492 B12R1.252 CC(=O)CSCc1ccccc1 1458a_100000070787_200011217039 [0,0,1,0,0,0|0,1,2]=4 493 B12R1.252 CC(=O)CSCc1ccccc1 1458a_100000150264_200000210301 [0,0,1,0,0,0|0,1,2]=4 494 B12R1.252 CC(Br)COCc1ccccc1 34a_100012180447_100015291786 [0,0,1,0,0,0|1,0,0]=2 495 B12R1.252 CC(Br)COCc1ccccn1 34a_100012180447_100000721315 [0,0,1,0,0,0|2,0,0]=3 496 B12R1.252 CC(Br)COCc1cccnc1 34a_100012180447_100000733263 [0,0,1,0,0,0|2,0,0]=3 497 B12R1.252 CC(Br)COCc1cccnn1 34a_100012180447_100016990269 [0,0,1,0,0,0|3,0,0]=4 498 B12R1.252 CC(Br)COCc1cnccn1 34a_100012180447_100016995436 [0,0,1,0,0,0|3,0,0]=4 499 B12R1.252 CC(Br)COCc1cncnc1 34a_100012180447_100015196519 [0,0,1,0,0,0|3,0,0]=4 500 B12R1.252 CC(Br)COCc1ncccn1 34a_100012180447_100000703007 [0,0,1,0,0,0|3,0,0]=4 501 B12R1.252 CC(C)CC=Cc1ccccc1 271570a_100016259101_100000210277 [0,0,1,0,0,0|2,0,1]=4 502 B12R1.252 CC(C)CCNc1ccccc1 34a_100000106764_100000210312 [0,0,1,0,0,0|3,0,0]=4 503 B12R1.252 CC(C)CCOc1ccccc1 34a_100000210340_100000210312 [0,0,1,0,0,0|3,0,0]=4 504 B12R1.252 CC(C)CCOc1ccccc1 7a_100000210340_100000210626 [0,0,1,0,0,0|3,0,0]=4 505 B12R1.252 CC(C)CCSc1ccccc1 62a_100000210312_100000041952 [0,0,1,0,0,0|3,0,0]=4 506 B12R1.252 CC(C)CCSc1ccccc1 62a_100000719477_100000210312 [0,0,1,0,0,0|3,0,0]=4 507 B12R1.252 CC(C)CNCc1ccccc1 207a_100000210953_100015611070 [0,0,1,0,0,0|2,0,0]=3 508 B12R1.252 CC(C)CNCc1ccccc1 2230a_100000210953_100015291786 [0,0,1,0,0,0|2,0,0]=3 509 B12R1.252 CC(C)CNCc1ccccc1 2230a_100015324214_100000210760 [0,0,1,0,0,0|2,0,0]=3 510 B12R1.252 CC(C)CNCc1ccccc1 270004a_100000210953_100015611070 [0,0,1,0,0,0|2,0,0]=3 511 B12R1.252 CC(C)CNCc1ccccc1 270004a_100015324214_100000210432 [0,0,1,0,0,0|2,0,0]=3 512 B12R1.252 CC(C)CNCc1ccccc1 34a_100000210953_100015291786 [0,0,1,0,0,0|2,0,0]=3 513 B12R1.252 CC(C)CNCc1ccccc1 34a_100015324214_100000210624 [0,0,1,0,0,0|2,0,0]=3 514 B12R1.252 CC(C)CNCc1ccccn1 207a_100000210953_100000209966 [0,0,1,0,0,0|3,0,0]=4 515 B12R1.252 CC(C)CNCc1ccccn1 2230a_100000210953_100000721315 [0,0,1,0,0,0|3,0,0]=4 516 B12R1.252 CC(C)CNCc1ccccn1 270004a_100000210449_100000210432 [0,0,1,0,0,0|3,0,0]=4 517 B12R1.252 CC(C)CNCc1ccccn1 270004a_100000210953_100000209966 [0,0,1,0,0,0|3,0,0]=4 518 B12R1.252 CC(C)CNCc1ccccn1 34a_100000210953_100000721315 [0,0,1,0,0,0|3,0,0]=4 519 B12R1.252 CC(C)CNCc1cccnc1 207a_100000210953_100000209961 [0,0,1,0,0,0|3,0,0]=4 520 B12R1.252 CC(C)CNCc1cccnc1 2230a_100000210953_100000741622 [0,0,1,0,0,0|3,0,0]=4 521 B12R1.252 CC(C)CNCc1cccnc1 270004a_100000210453_100000210432 [0,0,1,0,0,0|3,0,0]=4 522 B12R1.252 CC(C)CNCc1cccnc1 270004a_100000210953_100000209961 [0,0,1,0,0,0|3,0,0]=4 523 B12R1.252 CC(C)CNCc1cccnc1 34a_100000210953_100000733263 [0,0,1,0,0,0|3,0,0]=4 524 B12R1.252 CC(C)CNCc1ccncc1 207a_100000210953_100000186114 [0,0,1,0,0,0|3,0,0]=4 525 B12R1.252 CC(C)CNCc1ccncc1 2230a_100000210953_100015193705 [0,0,1,0,0,0|3,0,0]=4 526 B12R1.252 CC(C)COCc1ccccc1 34a_100000210257_100015291786 [0,0,1,0,0,0|1,0,0]=2 527 B12R1.252 CC(C)COCc1ccccc1 34a_100000210790_100000210624 [0,0,1,0,0,0|1,0,0]=2 528 B12R1.252 CC(C)COCc1ccccc1 7a_100000210790_100000210760 [0,0,1,0,0,0|1,0,0]=2 529 B12R1.252 CC(C)COCc1ccccn1 34a_100000210257_100000721315 [0,0,1,0,0,0|2,0,0]=3 530 B12R1.252 CC(C)COCc1cccnc1 34a_100000210257_100000733263 [0,0,1,0,0,0|2,0,0]=3 531 B12R1.252 CC(C)COCc1cccnn1 34a_100000210257_100016990269 [0,0,1,0,0,0|3,0,0]=4 532 B12R1.252 CC(C)COCc1cnccn1 34a_100000210257_100016995436 [0,0,1,0,0,0|3,0,0]=4 533 B12R1.252 CC(C)COCc1cncnc1 34a_100000210257_100015196519 [0,0,1,0,0,0|3,0,0]=4 534 B12R1.252 CC(C)COCc1ncccn1 34a_100000210257_100000703007 [0,0,1,0,0,0|3,0,0]=4 535 B12R1.252 CC(C)CSCc1ccccc1 62a_100000210624_100015291786 [0,0,1,0,0,0|1,1,0]=3 536 B12R1.252 CC(C)CSCc1ccccc1 62a_100000211182_100000210760 [0,0,1,0,0,0|1,1,0]=3 537 B12R1.252 CC(C)CSCc1ccccn1 62a_100000210624_100000721315 [0,0,1,0,0,0|2,1,0]=4 538 B12R1.252 CC(C)CSCc1ccccn1 62a_100000721315_100000210760 [0,0,1,0,0,0|2,1,0]=4 539 B12R1.252 CC(C)CSCc1cccnc1 62a_100000210624_100000741622 [0,0,1,0,0,0|2,1,0]=4 540 B12R1.252 CC(C)CSCc1cccnc1 62a_100000741622_100000210760 [0,0,1,0,0,0|2,1,0]=4 541 B12R1.252 CC(C)CSCc1ccncc1 62a_100000210624_100015193705 [0,0,1,0,0,0|2,1,0]=4 542 B12R1.252 CC(C)CSCc1ccncc1 62a_100015193705_100000210760 [0,0,1,0,0,0|2,1,0]=4 543 B12R1.252 CC(C)NCCc1ccccc1 2230a_100000106460_100000210206 [0,0,1,0,0,0|3,0,0]=4 544 B12R1.252 CC(C)NCCc1ccccc1 2230a_100138425928_100000765856 [0,0,1,0,0,0|3,0,0]=4 545 B12R1.252 CC(C)NCCc1ccccc1 34a_100000106460_100000210206 [0,0,1,0,0,0|3,0,0]=4 546 B12R1.252 CC(C)NCCc1ccccc1 34a_100138425928_100000765856 [0,0,1,0,0,0|3,0,0]=4 547 B12R1.252 CC(C)OCCc1ccccc1 34a_100000210268_100000210206 [0,0,1,0,0,0|3,0,0]=4 548 B12R1.252 CC(C)OCCc1ccccc1 34a_100000212225_100000765856 [0,0,1,0,0,0|3,0,0]=4 549 B12R1.252 CC(C)OCCc1ccccc1 7a_100000210268_100000210206 [0,0,1,0,0,0|3,0,0]=4 550 B12R1.252 CC(C)SCCc1ccccc1 62a_100000210206_100011218657 [0,0,1,0,0,0|3,0,0]=4 551 B12R1.252 CC(C)SCCc1ccccc1 62a_100000765856_100000210206 [0,0,1,0,0,0|3,0,0]=4 552 B12R1.252 CC(F)COCc1ccccc1 34a_100015925927_100015291786 [0,0,1,0,0,0|1,0,0]=2 553 B12R1.252 CC(F)COCc1ccccn1 34a_100015925927_100000721315 [0,0,1,0,0,0|2,0,0]=3 554 B12R1.252 CC(F)COCc1cccnc1 34a_100015925927_100000733263 [0,0,1,0,0,0|2,0,0]=3 555 B12R1.252 CC(F)COCc1cccnn1 34a_100015925927_100016990269 [0,0,1,0,0,0|3,0,0]=4 556 B12R1.252 CC(F)COCc1cnccn1 34a_100015925927_100016995436 [0,0,1,0,0,0|3,0,0]=4 557 B12R1.252 CC(F)COCc1cncnc1 34a_100015925927_100015196519 [0,0,1,0,0,0|3,0,0]=4 558 B12R1.252 CC(F)COCc1ncccn1 34a_100015925927_100000703007 [0,0,1,0,0,0|3,0,0]=4 559 B12R1.252 CC(O)CCNc1ccccc1 34a_100000106764_100012276601 [0,0,1,0,0,0|2,0,0]=3 560 B12R1.252 CC(O)CCOc1ccccc1 34a_100000210340_100012276601 [0,0,1,0,0,0|2,0,0]=3 561 B12R1.252 CC(O)CCOc1ccccc1 7a_100000210340_100012276601 [0,0,1,0,0,0|2,0,0]=3 562 B12R1.252 CC(O)CCOc1cccnc1 34a_100000210849_100012276601 [0,0,1,0,0,0|3,0,0]=4 563 B12R1.252 CC(O)CCOc1cccnc1 7a_100000210849_100012276601 [0,0,1,0,0,0|3,0,0]=4 564 B12R1.252 CC(O)CCOc1ccncc1 34a_100000212176_100012276601 [0,0,1,0,0,0|3,0,0]=4 565 B12R1.252 CC(O)CCSc1ccccc1 62a_100000719477_100012276601 [0,0,1,0,0,0|2,0,0]=3 566 B12R1.252 CC(O)CCSc1ccccc1 62a_100012276601_100000041952 [0,0,1,0,0,0|2,0,0]=3 567 B12R1.252 CC(O)CCSc1ccccn1 62a_100011216584_100012276601 [0,0,1,0,0,0|3,0,0]=4 568 B12R1.252 CC(O)CCSc1ccccn1 62a_100012276601_100011216584 [0,0,1,0,0,0|3,0,0]=4 569 B12R1.252 CC(O)CCSc1cccnc1 62a_100000210063_100012276601 [0,0,1,0,0,0|3,0,0]=4 570 B12R1.252 CC(O)CCSc1cccnc1 62a_100012276601_100000210063 [0,0,1,0,0,0|3,0,0]=4 571 B12R1.252 CC(O)CCSc1ccncc1 62a_100000728582_100012276601 [0,0,1,0,0,0|3,0,0]=4 572 B12R1.252 CC(O)CCSc1ccncc1 62a_100012276601_100000728582 [0,0,1,0,0,0|3,0,0]=4 573 B12R1.252 CC(O)CNCc1ccccc1 207a_100000210904_100015611070 [0,0,1,0,0,0|1,0,0]=2 574 B12R1.252 CC(O)CNCc1ccccc1 2230a_100000210904_100015291786 [0,0,1,0,0,0|1,0,0]=2 575 B12R1.252 CC(O)CNCc1ccccc1 2230a_100015324214_100011218427 [0,0,1,0,0,0|1,0,0]=2 576 B12R1.252 CC(O)CNCc1ccccc1 270004a_100000210904_100015611070 [0,0,1,0,0,0|1,0,0]=2 577 B12R1.252 CC(O)CNCc1ccccc1 34a_100000210904_100015291786 [0,0,1,0,0,0|1,0,0]=2 578 B12R1.252 CC(O)CNCc1ccccc1 34a_100015324214_100011218427 [0,0,1,0,0,0|1,0,0]=2 579 B12R1.252 CC(O)CNCc1ccccn1 207a_100000210904_100000209966 [0,0,1,0,0,0|2,0,0]=3 580 B12R1.252 CC(O)CNCc1ccccn1 2230a_100000210904_100000721315 [0,0,1,0,0,0|2,0,0]=3 581 B12R1.252 CC(O)CNCc1ccccn1 270004a_100000210904_100000209966 [0,0,1,0,0,0|2,0,0]=3 582 B12R1.252 CC(O)CNCc1ccccn1 34a_100000210904_100000721315 [0,0,1,0,0,0|2,0,0]=3 583 B12R1.252 CC(O)CNCc1cccnc1 207a_100000210904_100000209961 [0,0,1,0,0,0|2,0,0]=3 584 B12R1.252 CC(O)CNCc1cccnc1 2230a_100000210904_100000741622 [0,0,1,0,0,0|2,0,0]=3 585 B12R1.252 CC(O)CNCc1cccnc1 270004a_100000210904_100000209961 [0,0,1,0,0,0|2,0,0]=3 586 B12R1.252 CC(O)CNCc1cccnc1 34a_100000210904_100000733263 [0,0,1,0,0,0|2,0,0]=3 587 B12R1.252 CC(O)CNCc1cccnn1 2230a_100000210904_100016990269 [0,0,1,0,0,0|3,0,0]=4 588 B12R1.252 CC(O)CNCc1cccnn1 2230a_100159270163_100011218427 [0,0,1,0,0,0|3,0,0]=4 589 B12R1.252 CC(O)CNCc1cccnn1 34a_100000210904_100016990269 [0,0,1,0,0,0|3,0,0]=4 590 B12R1.252 CC(O)CNCc1ccncc1 207a_100000210904_100000186114 [0,0,1,0,0,0|2,0,0]=3 591 B12R1.252 CC(O)CNCc1ccncc1 2230a_100000210904_100015193705 [0,0,1,0,0,0|2,0,0]=3 592 B12R1.252 CC(O)CNCc1ccnnc1 270004a_100000210904_100011934578 [0,0,1,0,0,0|3,0,0]=4 593 B12R1.252 CC(O)CNCc1cnccn1 2230a_100000210904_100016995436 [0,0,1,0,0,0|3,0,0]=4 594 B12R1.252 CC(O)CNCc1cnccn1 270004a_100000210904_100000749867 [0,0,1,0,0,0|3,0,0]=4 595 B12R1.252 CC(O)CNCc1cnccn1 34a_100000210904_100016995436 [0,0,1,0,0,0|3,0,0]=4 596 B12R1.252 CC(O)CNCc1cncnc1 2230a_100000210904_100015196519 [0,0,1,0,0,0|3,0,0]=4 597 B12R1.252 CC(O)CNCc1cncnc1 2230a_100011243677_100011218427 [0,0,1,0,0,0|3,0,0]=4 598 B12R1.252 CC(O)CNCc1cncnc1 270004a_100000210904_100000749868 [0,0,1,0,0,0|3,0,0]=4 599 B12R1.252 CC(O)CNCc1cncnc1 34a_100000210904_100015196519 [0,0,1,0,0,0|3,0,0]=4 600 B12R1.252 CC(O)CNCc1ncccn1 2230a_100000210904_100000703007 [0,0,1,0,0,0|3,0,0]=4 601 B12R1.252 CC(O)CNCc1ncccn1 270004a_100000210904_100011532527 [0,0,1,0,0,0|3,0,0]=4 602 B12R1.252 CC(O)CNCc1ncccn1 34a_100000210904_100000703007 [0,0,1,0,0,0|3,0,0]=4 603 B12R1.252 CC(O)COCc1ccccc1 34a_100000210790_100011218427 [0,0,1,0,0,0|0,0,0]=1 604 B12R1.252 CC(O)COCc1ccccc1 7a_100000210790_100011218427 [0,0,1,0,0,0|0,0,0]=1 605 B12R1.252 CC(O)CSCc1ccccc1 62a_100000211182_100011218427 [0,0,1,0,0,0|0,1,0]=2 606 B12R1.252 CC(O)CSCc1ccccc1 62a_100011218427_100015291786 [0,0,1,0,0,0|0,1,0]=2 607 B12R1.252 CC(O)CSCc1ccccn1 62a_100000721315_100011218427 [0,0,1,0,0,0|1,1,0]=3 608 B12R1.252 CC(O)CSCc1ccccn1 62a_100011218427_100000721315 [0,0,1,0,0,0|1,1,0]=3 609 B12R1.252 CC(O)CSCc1cccnc1 62a_100000741622_100011218427 [0,0,1,0,0,0|1,1,0]=3 610 B12R1.252 CC(O)CSCc1cccnc1 62a_100011218427_100000741622 [0,0,1,0,0,0|1,1,0]=3 611 B12R1.252 CC(O)CSCc1cccnn1 62a_100011218427_100016990269 [0,0,1,0,0,0|2,1,0]=4 612 B12R1.252 CC(O)CSCc1cccnn1 62a_100016990269_100011218427 [0,0,1,0,0,0|2,1,0]=4 613 B12R1.252 CC(O)CSCc1ccncc1 62a_100011218427_100015193705 [0,0,1,0,0,0|1,1,0]=3 614 B12R1.252 CC(O)CSCc1ccncc1 62a_100015193705_100011218427 [0,0,1,0,0,0|1,1,0]=3 615 B12R1.252 CC(O)CSCc1cnccn1 62a_100011218427_100016995436 [0,0,1,0,0,0|2,1,0]=4 616 B12R1.252 CC(O)CSCc1cnccn1 62a_100016995436_100011218427 [0,0,1,0,0,0|2,1,0]=4 617 B12R1.252 CC(O)CSCc1cncnc1 62a_100011218427_100015196519 [0,0,1,0,0,0|2,1,0]=4 618 B12R1.252 CC(O)CSCc1cncnc1 62a_100015196519_100011218427 [0,0,1,0,0,0|2,1,0]=4 619 B12R1.252 CC(O)CSCc1ncccn1 62a_100000703007_100011218427 [0,0,1,0,0,0|2,1,0]=4 620 B12R1.252 CC(O)CSCc1ncccn1 62a_100011218427_100000703007 [0,0,1,0,0,0|2,1,0]=4 621 B12R1.252 CN(C)CCCc1ccccc1 2230a_100000693637_200000210301 [0,0,1,0,0,0|3,0,0]=4 622 B12R1.252 CN(C)CCCc1ccccc1 2230a_100102631434_100000211621 [0,0,1,0,0,0|3,0,0]=4 623 B12R1.252 CN(C)CCCc1ccccc1 269982a_100000693637_200000210301 [0,0,1,0,0,0|3,0,0]=4 624 B12R1.252 CN(C)CCCc1ccccc1 269982a_100102631434_100000211621 [0,0,1,0,0,0|3,0,0]=4 625 B12R1.252 CN(C)COCc1ccccc1 2230a_100102631434_100000763385 [0,0,1,0,0,0|2,0,0]=3 626 B12R1.252 CN(C)CSCc1ccccc1 2230a_100102631434_200011217039 [0,0,1,0,0,0|2,1,0]=4 627 B12R1.252 CN(C)CSCc1ccccc1 269982a_100102631434_200011217039 [0,0,1,0,0,0|2,1,0]=4 628 B12R1.252 CN([13CH3])CCCc1ccccc1 2230a_100000693637_200025704644 [0,0,1,0,0,0|3,0,0]=4 629 B12R1.252 CN([13CH3])CCCc1ccccc1 269982a_100000693637_200025704644 [0,0,1,0,0,0|3,0,0]=4 630 B12R1.252 C[C@@H](Cl)COCc1ccccc1 34a_100016084084_100015291786 [0,0,1,0,0,0|1,0,0]=2 631 B12R1.252 C[C@@H](Cl)COCc1ccccn1 34a_100016084084_100000721315 [0,0,1,0,0,0|2,0,0]=3 632 B12R1.252 C[C@@H](Cl)COCc1cccnc1 34a_100016084084_100000733263 [0,0,1,0,0,0|2,0,0]=3 633 B12R1.252 C[C@@H](Cl)COCc1cccnn1 34a_100016084084_100016990269 [0,0,1,0,0,0|3,0,0]=4 634 B12R1.252 C[C@@H](Cl)COCc1cnccn1 34a_100016084084_100016995436 [0,0,1,0,0,0|3,0,0]=4 635 B12R1.252 C[C@@H](Cl)COCc1cncnc1 34a_100016084084_100015196519 [0,0,1,0,0,0|3,0,0]=4 636 B12R1.252 C[C@@H](Cl)COCc1ncccn1 34a_100016084084_100000703007 [0,0,1,0,0,0|3,0,0]=4 637 B12R1.252 C[C@@H](N)COCc1ccccc1 34a_100000737577_100015291786 [0,0,1,0,0,0|1,0,0]=2 638 B12R1.252 C[C@@H](N)COCc1ccccn1 34a_100000737577_100000721315 [0,0,1,0,0,0|2,0,0]=3 639 B12R1.252 C[C@@H](N)COCc1cccnc1 34a_100000737577_100000733263 [0,0,1,0,0,0|2,0,0]=3 640 B12R1.252 C[C@@H](N)COCc1cccnn1 34a_100000737577_100016990269 [0,0,1,0,0,0|3,0,0]=4 641 B12R1.252 C[C@@H](N)COCc1cnccn1 34a_100000737577_100016995436 [0,0,1,0,0,0|3,0,0]=4 642 B12R1.252 C[C@@H](N)COCc1cncnc1 34a_100000737577_100015196519 [0,0,1,0,0,0|3,0,0]=4 643 B12R1.252 C[C@@H](N)COCc1ncccn1 34a_100000737577_100000703007 [0,0,1,0,0,0|3,0,0]=4 644 B12R1.252 C[C@@H](O)CNCc1ccccc1 2230a_100015324214_100009817552 [0,0,1,0,0,0|1,0,0]=2 645 B12R1.252 C[C@@H](O)CNCc1ccccc1 34a_100015324214_100009817552 [0,0,1,0,0,0|1,0,0]=2 646 B12R1.252 C[C@@H](O)CNCc1cccnn1 2230a_100159270163_100009817552 [0,0,1,0,0,0|3,0,0]=4 647 B12R1.252 C[C@@H](O)CNCc1cncnc1 2230a_100011243677_100009817552 [0,0,1,0,0,0|3,0,0]=4 648 B12R1.252 C[C@@H](O)COCc1ccccc1 34a_100000210790_100009817552 [0,0,1,0,0,0|0,0,0]=1 649 B12R1.252 C[C@@H](O)COCc1ccccc1 7a_100000210790_100009817552 [0,0,1,0,0,0|0,0,0]=1 650 B12R1.252 C[C@@H](O)CSCc1ccccc1 62a_100000211182_100009817552 [0,0,1,0,0,0|0,1,0]=2 651 B12R1.252 C[C@@H](O)CSCc1ccccc1 62a_100009817552_100015291786 [0,0,1,0,0,0|0,1,0]=2 652 B12R1.252 C[C@@H](O)CSCc1ccccn1 62a_100000721315_100009817552 [0,0,1,0,0,0|1,1,0]=3 653 B12R1.252 C[C@@H](O)CSCc1ccccn1 62a_100009817552_100000721315 [0,0,1,0,0,0|1,1,0]=3 654 B12R1.252 C[C@@H](O)CSCc1cccnc1 62a_100000741622_100009817552 [0,0,1,0,0,0|1,1,0]=3 655 B12R1.252 C[C@@H](O)CSCc1cccnc1 62a_100009817552_100000741622 [0,0,1,0,0,0|1,1,0]=3 656 B12R1.252 C[C@@H](O)CSCc1cccnn1 62a_100009817552_100016990269 [0,0,1,0,0,0|2,1,0]=4 657 B12R1.252 C[C@@H](O)CSCc1cccnn1 62a_100016990269_100009817552 [0,0,1,0,0,0|2,1,0]=4 658 B12R1.252 C[C@@H](O)CSCc1ccncc1 62a_100009817552_100015193705 [0,0,1,0,0,0|1,1,0]=3 659 B12R1.252 C[C@@H](O)CSCc1ccncc1 62a_100015193705_100009817552 [0,0,1,0,0,0|1,1,0]=3 660 B12R1.252 C[C@@H](O)CSCc1cnccn1 62a_100009817552_100016995436 [0,0,1,0,0,0|2,1,0]=4 661 B12R1.252 C[C@@H](O)CSCc1cnccn1 62a_100016995436_100009817552 [0,0,1,0,0,0|2,1,0]=4 662 B12R1.252 C[C@@H](O)CSCc1cncnc1 62a_100009817552_100015196519 [0,0,1,0,0,0|2,1,0]=4 663 B12R1.252 C[C@@H](O)CSCc1cncnc1 62a_100015196519_100009817552 [0,0,1,0,0,0|2,1,0]=4 664 B12R1.252 C[C@@H](O)CSCc1ncccn1 62a_100000703007_100009817552 [0,0,1,0,0,0|2,1,0]=4 665 B12R1.252 C[C@@H](O)CSCc1ncccn1 62a_100009817552_100000703007 [0,0,1,0,0,0|2,1,0]=4 666 B12R1.252 FC(F)CNCc1ccccc1 207a_100000765723_100015611070 [0,0,1,0,0,0|3,0,0]=4 667 B12R1.252 FC(F)CNCc1ccccc1 2230a_100015324214_100011934356 [0,0,1,0,0,0|3,0,0]=4 668 B12R1.252 FC(F)CNCc1ccccc1 270004a_100000765723_100015611070 [0,0,1,0,0,0|3,0,0]=4 669 B12R1.252 FC(F)CNCc1ccccc1 34a_100000765723_100015291786 [0,0,1,0,0,0|3,0,0]=4 670 B12R1.252 FC(F)CNCc1ccccc1 34a_100015324214_100011934356 [0,0,1,0,0,0|3,0,0]=4 671 B12R1.252 FC(F)COCc1ccccc1 34a_100000210790_100011934356 [0,0,1,0,0,0|2,0,0]=3 672 B12R1.252 FC(F)COCc1ccccc1 34a_100000743014_100015291786 [0,0,1,0,0,0|2,0,0]=3 673 B12R1.252 FC(F)COCc1ccccc1 7a_100000210790_100011934356 [0,0,1,0,0,0|2,0,0]=3 674 B12R1.252 FC(F)COCc1ccccn1 34a_100000743014_100000721315 [0,0,1,0,0,0|3,0,0]=4 675 B12R1.252 FC(F)COCc1cccnc1 34a_100000743014_100000733263 [0,0,1,0,0,0|3,0,0]=4 676 B12R1.252 FC(F)CSCc1ccccc1 62a_100000211182_100011934356 [0,0,1,0,0,0|2,1,0]=4 677 B12R1.252 FC(F)CSCc1ccccc1 62a_100011934356_100015291786 [0,0,1,0,0,0|2,1,0]=4 678 B12R1.252 NC(=O)COCc1ccccc1 34a_100000210790_100000187820 [0,0,1,0,0,0|1,0,2]=4 679 B12R1.252 NC(=O)COCc1ccccc1 7a_100000210790_100000187820 [0,0,1,0,0,0|1,0,2]=4 680 B12R1.252 O=C(O)CNCc1ccccc1 269956a_100016091260_100015291786 [0,0,1,0,0,0|2,0,1]=4 681 B12R1.252 O=C([O-])COCc1ccccc1 34a_100000210790_100020667443 [0,0,1,0,0,0|1,0,2]=4 682 B12R1.252 O=[N+]([O-])COCc1ccccc1 34a_100000210790_100000761209 [0,0,1,0,0,0|2,0,1]=4 683 B12R1.252 [13CH3]C(=O)CCCc1ccccc1 1458a_100011207963_200025704644 [0,0,1,0,0,0|1,0,2]=4 684 B12R1.252 [13CH3]C(=O)COCc1ccccc1 1458a_100000230186_200025704644 [0,0,1,0,0,0|0,0,2]=3 685 B12R1.252 [13CH3]C(=O)CSCc1ccccc1 1458a_100000150264_200025704644 [0,0,1,0,0,0|0,1,2]=4 686 B12R2.22 CN1CC(C1)c2cccnc2 269982a_100015183634_200000210301 [0,0,0,0,1,0|3,0,0]=4 687 B12R2.22 CN1CC(C1)c2ccncc2 269982a_100015185986_200000210301 [0,0,0,0,1,0|3,0,0]=4 688 B12R2.22 [13CH3]N1CC(C1)c2cccnc2 269982a_100015183634_200025704644 [0,0,0,0,1,0|3,0,0]=4 689 B12R2.22 [13CH3]N1CC(C1)c2ccncc2 269982a_100015185986_200025704644 [0,0,0,0,1,0|3,0,0]=4 690 B12R2.23 CN1CCC1c2ccccc2 2230a_100000739605_200000210301 [0,0,0,0,1,0|2,0,0]=3 691 B12R2.23 CN1CCC1c2ccccc2 269982a_100000739605_200000210301 [0,0,0,0,1,0|2,0,0]=3 692 B12R2.23 [13CH3]N1CCC1c2ccccc2 2230a_100000739605_200025704644 [0,0,0,0,1,0|2,0,0]=3 693 B12R2.23 [13CH3]N1CCC1c2ccccc2 269982a_100000739605_200025704644 [0,0,0,0,1,0|2,0,0]=3 694 B14R2.19 CN1CCC(C1)Oc2ccccc2 2230a_200015184049_200000210301 [0,0,0,0,0,1|3,0,0]=4 695 B14R2.19 CN1CCC(C1)Oc2ccccc2 269982a_200015184049_200000210301 [0,0,0,0,0,1|3,0,0]=4 696 B14R2.19 CN1CCC(C1)Oc2ccccc2 7a_100000210340_200012183744 [0,0,0,0,0,1|3,0,0]=4 697 B14R2.19 CN1CCC(C1)Sc2ccccc2 62a_100000719477_200012183744 [0,0,0,0,0,1|3,0,0]=4 698 B14R2.19 C[C@@H]1CCN(C1)Cc2ccccc2 2230a_100016987628_100015291786 [0,0,0,0,0,1|3,0,0]=4 699 B14R2.19 C[C@@H]1CCN(C1)Cc2ccccc2 269982a_100016987628_100000211182 [0,0,0,0,0,1|3,0,0]=4 700 B14R2.19 C[C@@H]1CCN(C1)Cc2ccccc2 270004a_100016987628_100015611070 [0,0,0,0,0,1|3,0,0]=4 701 B14R2.19 C[C@@H]1CCN(C1)Cc2ccccc2 34a_100016987628_100015291786 [0,0,0,0,0,1|3,0,0]=4 702 B14R2.19 [13CH3]N1CCC(C1)Oc2ccccc2 2230a_200015184049_200025704644 [0,0,0,0,0,1|3,0,0]=4 703 B14R2.19 [13CH3]N1CCC(C1)Oc2ccccc2 269982a_200015184049_200025704644 [0,0,0,0,0,1|3,0,0]=4 704 B14R2.21 CN1CCCC(C1)c2ccccc2 2230a_100011236195_200000210301 [0,0,0,0,0,1|3,0,0]=4 705 B14R2.21 CN1CCCC(C1)c2ccccc2 269982a_100011236195_200000210301 [0,0,0,0,0,1|3,0,0]=4 706 B14R2.21 CN1CCCC(C1)c2ccccc2 34a_100011236195_200000210301 [0,0,0,0,0,1|3,0,0]=4 707 B14R2.21 CN1CCO[C@H](C1)c2ccccc2 2230a_100009815478_200000210301 [0,0,0,0,0,1|2,0,0]=3 708 B14R2.21 CN1CCO[C@H](C1)c2ccccc2 269982a_100009815478_200000210301 [0,0,0,0,0,1|2,0,0]=3 709 B14R2.21 CN1CCO[C@H](C1)c2ccccc2 34a_100009815478_200000210301 [0,0,0,0,0,1|2,0,0]=3 710 B14R2.21 [13CH3]N1CCCC(C1)c2ccccc2 2230a_100011236195_200025704644 [0,0,0,0,0,1|3,0,0]=4 711 B14R2.21 [13CH3]N1CCCC(C1)c2ccccc2 269982a_100011236195_200025704644 [0,0,0,0,0,1|3,0,0]=4 712 B14R2.21 [13CH3]N1CCCC(C1)c2ccccc2 34a_100011236195_200025704644 [0,0,0,0,0,1|3,0,0]=4 713 B14R2.21 [13CH3]N1CCO[C@H](C1)c2ccccc2 2230a_100009815478_200025704644 [0,0,0,0,0,1|2,0,0]=3 714 B14R2.21 [13CH3]N1CCO[C@H](C1)c2ccccc2 269982a_100009815478_200025704644 [0,0,0,0,0,1|2,0,0]=3 715 B14R2.21 [13CH3]N1CCO[C@H](C1)c2ccccc2 34a_100009815478_200025704644 [0,0,0,0,0,1|2,0,0]=3 716 B14R2.68 CC1CC=C(CC1)c2ccccc2 271570a_100010240233_100000210277 [0,0,0,0,0,1|2,0,1]=4 717 B14R2.68 CN1CCC(CC1)c2ccccc2 2230a_100000736203_200000210301 [0,0,0,0,0,1|3,0,0]=4 718 B14R2.68 CN1CCC(CC1)c2ccccc2 269982a_100000736203_200000210301 [0,0,0,0,0,1|3,0,0]=4 719 B14R2.68 CN1CCC(CC1)c2ccccc2 34a_100000736203_200000210301 [0,0,0,0,0,1|3,0,0]=4 720 B14R2.68 [13CH3]N1CCC(CC1)c2ccccc2 2230a_100000736203_200025704644 [0,0,0,0,0,1|3,0,0]=4 721 B14R2.68 [13CH3]N1CCC(CC1)c2ccccc2 269982a_100000736203_200025704644 [0,0,0,0,0,1|3,0,0]=4 722 B14R2.68 [13CH3]N1CCC(CC1)c2ccccc2 34a_100000736203_200025704644 [0,0,0,0,0,1|3,0,0]=4 723 B11R1.12 C#CC(OC)c1ccccc1 34a_100011219616_200000210301 [1,0,1,0,0,0|0,0,2]=4 724 B11R1.12 C#CC(OC)c1ccccc1 7a_100011219616_200000210301 [1,0,1,0,0,0|0,0,2]=4 725 B11R1.12 C#CC(O[13CH3])c1ccccc1 34a_100011219616_200025704644 [1,0,1,0,0,0|0,0,2]=4 726 B11R1.12 C#CC(O[13CH3])c1ccccc1 7a_100011219616_200025704644 [1,0,1,0,0,0|0,0,2]=4 727 B11R1.12 C=CC(OC)c1ccccc1 34a_100011215659_200000210301 [1,0,1,0,0,0|0,0,2]=4 728 B11R1.12 C=CC(OC)c1ccccc1 7a_100011215659_200000210301 [1,0,1,0,0,0|0,0,2]=4 729 B11R1.12 C=CC(O[13CH3])c1ccccc1 34a_100011215659_200025704644 [1,0,1,0,0,0|0,0,2]=4 730 B11R1.12 C=CC(O[13CH3])c1ccccc1 7a_100011215659_200025704644 [1,0,1,0,0,0|0,0,2]=4 731 B11R1.12 CCC(NC)c1ccccc1 2230a_100000737752_200000210301 [1,0,1,0,0,0|1,0,0]=3 732 B11R1.12 CCC(NC)c1ccccc1 269862a_106832991636_100000210124 [1,0,1,0,0,0|1,0,0]=3 733 B11R1.12 CCC(NC)c1ccccn1 2230a_100015186561_200000210301 [1,0,1,0,0,0|2,0,0]=4 734 B11R1.12 CCC(NC)c1ccccn1 269862a_106832991636_100000748178 [1,0,1,0,0,0|2,0,0]=4 735 B11R1.12 CCC(NC)c1cccnc1 2230a_100000246009_200000210301 [1,0,1,0,0,0|2,0,0]=4 736 B11R1.12 CCC(NC)c1cccnc1 269862a_106832991636_100011218761 [1,0,1,0,0,0|2,0,0]=4 737 B11R1.12 CCC(NC)c1ccncc1 269862a_106832991636_100011216016 [1,0,1,0,0,0|2,0,0]=4 738 B11R1.12 CCC(N[13CH3])c1ccccc1 2230a_100000737752_200025704644 [1,0,1,0,0,0|1,0,0]=3 739 B11R1.12 CCC(N[13CH3])c1ccccn1 2230a_100015186561_200025704644 [1,0,1,0,0,0|2,0,0]=4 740 B11R1.12 CCC(N[13CH3])c1cccnc1 2230a_100000246009_200025704644 [1,0,1,0,0,0|2,0,0]=4 741 B11R1.12 CCC(OC)c1ccccc1 34a_100000698172_200000210301 [1,0,1,0,0,0|0,0,0]=2 742 B11R1.12 CCC(OC)c1ccccc1 7a_100000698172_200000210301 [1,0,1,0,0,0|0,0,0]=2 743 B11R1.12 CCC(O[13CH3])c1ccccc1 34a_100000698172_200025704644 [1,0,1,0,0,0|0,0,0]=2 744 B11R1.12 CCC(O[13CH3])c1ccccc1 7a_100000698172_200025704644 [1,0,1,0,0,0|0,0,0]=2 745 B11R1.12 CCN(CC)c1ccccc1 2230a_100000210013_100000210202 [1,0,1,0,0,0|2,0,0]=4 746 B11R1.12 CCN(CC)c1ccccc1 269982a_100000210013_100000204670 [1,0,1,0,0,0|2,0,0]=4 747 B11R1.12 CCN(CC)c1ccccc1 34a_100000210013_100000210202 [1,0,1,0,0,0|2,0,0]=4 748 B11R1.12 CN[C@H](CO)c1ccccc1 2230a_100000751927_200000210301 [1,0,1,0,0,0|2,0,0]=4 749 B11R1.12 CN[C@H](CO)c1ccccc1 34a_100000751927_200000210301 [1,0,1,0,0,0|2,0,0]=4 750 B11R1.12 COC(C#N)c1ccccc1 7a_100011217353_200000210301 [1,0,1,0,0,0|1,0,1]=4 751 B11R1.12 COC(CBr)c1ccccc1 7a_100000185958_200000210301 [1,0,1,0,0,0|1,0,0]=3 752 B11R1.12 COC(CN)c1ccccc1 34a_100000210709_200000210301 [1,0,1,0,0,0|1,0,0]=3 753 B11R1.12 CO[C@H](CCl)c1ccccc1 34a_100011933945_200000210301 [1,0,1,0,0,0|1,0,0]=3 754 B11R1.12 CO[C@H](CCl)c1ccccc1 7a_100011933945_200000210301 [1,0,1,0,0,0|1,0,0]=3 755 B11R1.12 [13CH3]N[C@H](CO)c1ccccc1 2230a_100000751927_200025704644 [1,0,1,0,0,0|2,0,0]=4 756 B11R1.12 [13CH3]N[C@H](CO)c1ccccc1 34a_100000751927_200025704644 [1,0,1,0,0,0|2,0,0]=4 757 B11R1.12 [13CH3]OC(C#N)c1ccccc1 7a_100011217353_200025704644 [1,0,1,0,0,0|1,0,1]=4 758 B11R1.12 [13CH3]OC(CBr)c1ccccc1 7a_100000185958_200025704644 [1,0,1,0,0,0|1,0,0]=3 759 B11R1.12 [13CH3]OC(CN)c1ccccc1 34a_100000210709_200025704644 [1,0,1,0,0,0|1,0,0]=3 760 B11R1.12 [13CH3]O[C@H](CCl)c1ccccc1 34a_100011933945_200025704644 [1,0,1,0,0,0|1,0,0]=3 761 B11R1.12 [13CH3]O[C@H](CCl)c1ccccc1 7a_100011933945_200025704644 [1,0,1,0,0,0|1,0,0]=3 762 B11R1.16 CC(CN[13CH3])c1ccccc1 2230a_100000701038_200025704644 [1,0,1,0,0,0|2,0,0]=4 763 B11R1.16 CC(CN[13CH3])c1ccccc1 34a_100000701038_200025704644 [1,0,1,0,0,0|2,0,0]=4 764 B11R1.16 CC(CO[13CH3])c1ccccc1 34a_100011215166_200025704644 [1,0,1,0,0,0|2,0,0]=4 765 B11R1.16 CC(CO[13CH3])c1ccccc1 7a_100011215166_200025704644 [1,0,1,0,0,0|2,0,0]=4 766 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_100000756946_200025704644 [1,0,1,0,0,0|2,0,0]=4 767 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_200025704644_100000756946 [1,0,1,0,0,0|2,0,0]=4 768 B11R1.16 CC(SCF)c1ccccc1 62a_100000230085_100015361967 [1,0,1,0,0,0|1,1,0]=4 769 B11R1.16 CC(SCF)c1ccccc1 62a_100015361967_100000230085 [1,0,1,0,0,0|1,1,0]=4 770 B11R1.16 CCCC(=O)c1ccccc1 1458a_100000185807_100000210303 [1,0,1,0,0,0|0,0,2]=4 771 B11R1.16 CCCN(C)c1ccccc1 2230a_100000210012_100000210303 [1,0,1,0,0,0|2,0,0]=4 772 B11R1.16 CCCN(C)c1ccccc1 2230a_200011218496_200000210301 [1,0,1,0,0,0|2,0,0]=4 773 B11R1.16 CCCN(C)c1ccccc1 269982a_100000210012_100000210303 [1,0,1,0,0,0|2,0,0]=4 774 B11R1.16 CCCN(C)c1ccccc1 269982a_200011218496_200000210301 [1,0,1,0,0,0|2,0,0]=4 775 B11R1.16 CCCN(C)c1ccccc1 34a_100000210012_100000210303 [1,0,1,0,0,0|2,0,0]=4 776 B11R1.16 CCCN(C)c1ccccc1 34a_200011218496_200000210301 [1,0,1,0,0,0|2,0,0]=4 777 B11R1.16 CCCN([13CH3])c1ccccc1 2230a_200011218496_200025704644 [1,0,1,0,0,0|2,0,0]=4 778 B11R1.16 CCCN([13CH3])c1ccccc1 269982a_200011218496_200025704644 [1,0,1,0,0,0|2,0,0]=4 779 B11R1.16 CCCN([13CH3])c1ccccc1 34a_200011218496_200025704644 [1,0,1,0,0,0|2,0,0]=4 780 B11R1.16 CCNC(C)c1ccccc1 2230a_100015525214_100000230085 [1,0,1,0,0,0|1,0,0]=3 781 B11R1.16 CCNC(C)c1ccccc1 269862a_100015525214_100000185851 [1,0,1,0,0,0|1,0,0]=3 782 B11R1.16 CCNC(C)c1ccccn1 2230a_100000181244_100000210202 [1,0,1,0,0,0|2,0,0]=4 783 B11R1.16 CCNC(C)c1ccccn1 269862a_100015525214_100000210467 [1,0,1,0,0,0|2,0,0]=4 784 B11R1.16 CCNC(C)c1cccnc1 2230a_100000195435_100000210202 [1,0,1,0,0,0|2,0,0]=4 785 B11R1.16 CCNC(C)c1cccnc1 269862a_100015525214_100000210468 [1,0,1,0,0,0|2,0,0]=4 786 B11R1.16 CCNC(C)c1ccncc1 2230a_100000181269_100000210202 [1,0,1,0,0,0|2,0,0]=4 787 B11R1.16 CCNC(C)c1ccncc1 269862a_100015525214_100000185792 [1,0,1,0,0,0|2,0,0]=4 788 B11R1.16 CCN[C@H](C)c1ccccc1 2230a_100000751104_100000210202 [1,0,1,0,0,0|1,0,0]=3 789 B11R1.16 CCOC(C)c1ccccc1 34a_100121572206_100000211855 [1,0,1,0,0,0|0,0,0]=2 790 B11R1.16 CCO[C@H](C)c1ccccc1 34a_100000761318_100000210202 [1,0,1,0,0,0|0,0,0]=2 791 B11R1.16 CCO[C@H](C)c1ccccc1 7a_100000761318_100000210202 [1,0,1,0,0,0|0,0,0]=2 792 B11R1.16 CCSC(C)c1ccccc1 62a_100000210202_100000230085 [1,0,1,0,0,0|0,1,0]=3 793 B11R1.16 CCSC(C)c1ccccc1 62a_100000230085_100000210202 [1,0,1,0,0,0|0,1,0]=3 794 B11R1.16 CNCC(C)c1ccccc1 2230a_100000701038_200000210301 [1,0,1,0,0,0|2,0,0]=4 795 B11R1.16 CNCC(C)c1ccccc1 2230a_106832991635_100000756946 [1,0,1,0,0,0|2,0,0]=4 796 B11R1.16 CNCC(C)c1ccccc1 270004a_106832991635_100000212034 [1,0,1,0,0,0|2,0,0]=4 797 B11R1.16 CNCC(C)c1ccccc1 34a_100000701038_200000210301 [1,0,1,0,0,0|2,0,0]=4 798 B11R1.16 CNCC(C)c1ccccc1 34a_100102657272_100000756946 [1,0,1,0,0,0|2,0,0]=4 799 B11R1.16 CNCC(C)c1ccccc1 7a_106832991635_100000756946 [1,0,1,0,0,0|2,0,0]=4 800 B11R1.16 CNCC(O)c1ccccc1 2230a_100000210709_200000210301 [1,0,1,0,0,0|1,0,0]=3 801 B11R1.16 CNCC(O)c1ccccc1 2230a_106832991635_100000185958 [1,0,1,0,0,0|1,0,0]=3 802 B11R1.16 CNCC(O)c1ccccc1 34a_100102657272_100000185958 [1,0,1,0,0,0|1,0,0]=3 803 B11R1.16 CNCC(O)c1ccccc1 7a_106832991635_100000185958 [1,0,1,0,0,0|1,0,0]=3 804 B11R1.16 CNCC(O)c1ccccn1 2230a_100000691469_200000210301 [1,0,1,0,0,0|2,0,0]=4 805 B11R1.16 CNCC(O)c1cccnc1 2230a_100020605170_200000210301 [1,0,1,0,0,0|2,0,0]=4 806 B11R1.16 CNC[C@@H](O)c1ccccc1 2230a_106832991635_100011933945 [1,0,1,0,0,0|1,0,0]=3 807 B11R1.16 CNC[C@@H](O)c1ccccc1 34a_100102657272_100011933945 [1,0,1,0,0,0|1,0,0]=3 808 B11R1.16 CNC[C@@H](O)c1ccccc1 7a_106832991635_100011933945 [1,0,1,0,0,0|1,0,0]=3 809 B11R1.16 COCC(C)c1ccccc1 34a_100011215166_200000210301 [1,0,1,0,0,0|2,0,0]=4 810 B11R1.16 COCC(C)c1ccccc1 34a_100138415774_100000756946 [1,0,1,0,0,0|2,0,0]=4 811 B11R1.16 COCC(C)c1ccccc1 7a_100011215166_200000210301 [1,0,1,0,0,0|2,0,0]=4 812 B11R1.16 COCC(O)c1ccccc1 34a_100138415774_100000185958 [1,0,1,0,0,0|1,0,0]=3 813 B11R1.16 COC[C@@H](N)c1ccccc1 34a_100000751927_200000210301 [1,0,1,0,0,0|2,0,0]=4 814 B11R1.16 COC[C@@H](O)c1ccccc1 34a_100138415774_100011933945 [1,0,1,0,0,0|1,0,0]=3 815 B11R1.16 CSCC(C)c1ccccc1 62a_100000756946_200000210301 [1,0,1,0,0,0|2,0,0]=4 816 B11R1.16 CSCC(C)c1ccccc1 62a_200000210301_100000756946 [1,0,1,0,0,0|2,0,0]=4 817 B11R1.16 CSCC(O)c1ccccc1 62a_100000185958_200000210301 [1,0,1,0,0,0|1,0,0]=3 818 B11R1.16 CSCC(O)c1ccccc1 62a_200000210301_100000185958 [1,0,1,0,0,0|1,0,0]=3 819 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_100011933945_200000210301 [1,0,1,0,0,0|1,0,0]=3 820 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_200000210301_100011933945 [1,0,1,0,0,0|1,0,0]=3 821 B11R1.16 C[C@@H](OCF)c1ccccc1 34a_100000761318_100015361967 [1,0,1,0,0,0|1,0,0]=3 822 B11R1.16 C[C@@H](OCF)c1ccccc1 7a_100000761318_100015361967 [1,0,1,0,0,0|1,0,0]=3 823 B11R1.16 [13CH3]NCC(O)c1ccccc1 2230a_100000210709_200025704644 [1,0,1,0,0,0|1,0,0]=3 824 B11R1.16 [13CH3]NCC(O)c1ccccn1 2230a_100000691469_200025704644 [1,0,1,0,0,0|2,0,0]=4 825 B11R1.16 [13CH3]NCC(O)c1cccnc1 2230a_100020605170_200025704644 [1,0,1,0,0,0|2,0,0]=4 826 B11R1.16 [13CH3]OC[C@@H](N)c1ccccc1 34a_100000751927_200025704644 [1,0,1,0,0,0|2,0,0]=4 827 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_100000185958_200025704644 [1,0,1,0,0,0|1,0,0]=3 828 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_200025704644_100000185958 [1,0,1,0,0,0|1,0,0]=3 829 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_100011933945_200025704644 [1,0,1,0,0,0|1,0,0]=3 830 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_200025704644_100011933945 [1,0,1,0,0,0|1,0,0]=3 831 B11R1.28 BrCCOCc1ccccc1 34a_100000211926_100015291786 [1,0,1,0,0,0|1,0,0]=3 832 B11R1.28 BrCCOCc1ccccn1 34a_100000211926_100000721315 [1,0,1,0,0,0|2,0,0]=4 833 B11R1.28 BrCCOCc1cccnc1 34a_100000211926_100000733263 [1,0,1,0,0,0|2,0,0]=4 834 B11R1.28 C#CCOCc1ccccc1 34a_100000210247_100015291786 [1,0,1,0,0,0|0,0,2]=4 835 B11R1.28 C#CCOCc1ccccc1 34a_100000210790_100000184674 [1,0,1,0,0,0|0,0,2]=4 836 B11R1.28 C#CCOCc1ccccc1 7a_100000210790_100000038162 [1,0,1,0,0,0|0,0,2]=4 837 B11R1.28 C=CCOCc1ccccc1 34a_100000210790_100015514636 [1,0,1,0,0,0|0,0,2]=4 838 B11R1.28 C=CCOCc1ccccc1 34a_200000210373_100015291786 [1,0,1,0,0,0|0,0,2]=4 839 B11R1.28 C=CCOCc1ccccc1 7a_100000210790_100015514636 [1,0,1,0,0,0|0,0,2]=4 840 B11R1.28 CCCC=Cc1ccccc1 271570a_100016258520_100000210277 [1,0,1,0,0,0|1,0,1]=4 841 B11R1.28 CCCCNc1ccccc1 34a_100000106764_100000210210 [1,0,1,0,0,0|2,0,0]=4 842 B11R1.28 CCCCOc1ccccc1 34a_100000210340_100000210210 [1,0,1,0,0,0|2,0,0]=4 843 B11R1.28 CCCCOc1ccccc1 7a_100000210340_100000210211 [1,0,1,0,0,0|2,0,0]=4 844 B11R1.28 CCCCSc1ccccc1 62a_100000210211_100000041952 [1,0,1,0,0,0|2,0,0]=4 845 B11R1.28 CCCCSc1ccccc1 62a_100000719477_100000210210 [1,0,1,0,0,0|2,0,0]=4 846 B11R1.28 CCCNCc1ccccc1 207a_100020643023_100015611070 [1,0,1,0,0,0|1,0,0]=3 847 B11R1.28 CCCNCc1ccccc1 2230a_100015324214_100000210303 [1,0,1,0,0,0|1,0,0]=3 848 B11R1.28 CCCNCc1ccccc1 270004a_100020643023_100015611070 [1,0,1,0,0,0|1,0,0]=3 849 B11R1.28 CCCNCc1ccccc1 34a_100015324214_100000210303 [1,0,1,0,0,0|1,0,0]=3 850 B11R1.28 CCCNCc1ccccn1 207a_100020643023_100000209966 [1,0,1,0,0,0|2,0,0]=4 851 B11R1.28 CCCNCc1ccccn1 270004a_100020643023_100000209966 [1,0,1,0,0,0|2,0,0]=4 852 B11R1.28 CCCNCc1cccnc1 207a_100020643023_100000209961 [1,0,1,0,0,0|2,0,0]=4 853 B11R1.28 CCCNCc1cccnc1 270004a_100020643023_100000209961 [1,0,1,0,0,0|2,0,0]=4 854 B11R1.28 CCCNCc1ccncc1 207a_100020643023_100000186114 [1,0,1,0,0,0|2,0,0]=4 855 B11R1.28 CCCOCc1ccccc1 34a_100000210258_100015291786 [1,0,1,0,0,0|0,0,0]=2 856 B11R1.28 CCCOCc1ccccc1 34a_100000210790_100000210303 [1,0,1,0,0,0|0,0,0]=2 857 B11R1.28 CCCOCc1ccccc1 7a_100000210790_100000210303 [1,0,1,0,0,0|0,0,0]=2 858 B11R1.28 CCCOCc1ccccn1 34a_100000210258_100000721315 [1,0,1,0,0,0|1,0,0]=3 859 B11R1.28 CCCOCc1cccnc1 34a_100000210258_100000733263 [1,0,1,0,0,0|1,0,0]=3 860 B11R1.28 CCCOCc1cccnn1 34a_100000210258_100016990269 [1,0,1,0,0,0|2,0,0]=4 861 B11R1.28 CCCOCc1cnccn1 34a_100000210258_100016995436 [1,0,1,0,0,0|2,0,0]=4 862 B11R1.28 CCCOCc1cncnc1 34a_100000210258_100015196519 [1,0,1,0,0,0|2,0,0]=4 863 B11R1.28 CCCOCc1ncccn1 34a_100000210258_100000703007 [1,0,1,0,0,0|2,0,0]=4 864 B11R1.28 CCCSCc1ccccc1 62a_100000210303_100015291786 [1,0,1,0,0,0|0,1,0]=3 865 B11R1.28 CCCSCc1ccccc1 62a_100000211182_100000210303 [1,0,1,0,0,0|0,1,0]=3 866 B11R1.28 CCCSCc1ccccn1 62a_100000210303_100000721315 [1,0,1,0,0,0|1,1,0]=4 867 B11R1.28 CCCSCc1ccccn1 62a_100000721315_100000210303 [1,0,1,0,0,0|1,1,0]=4 868 B11R1.28 CCCSCc1cccnc1 62a_100000210303_100000741622 [1,0,1,0,0,0|1,1,0]=4 869 B11R1.28 CCCSCc1cccnc1 62a_100000741622_100000210303 [1,0,1,0,0,0|1,1,0]=4 870 B11R1.28 CCCSCc1ccncc1 62a_100000210303_100015193705 [1,0,1,0,0,0|1,1,0]=4 871 B11R1.28 CCCSCc1ccncc1 62a_100015193705_100000210303 [1,0,1,0,0,0|1,1,0]=4 872 B11R1.28 CCNCCc1ccccc1 2230a_100000106460_100000210202 [1,0,1,0,0,0|2,0,0]=4 873 B11R1.28 CCNCCc1ccccc1 2230a_100015525214_100000765856 [1,0,1,0,0,0|2,0,0]=4 874 B11R1.28 CCNCCc1ccccc1 34a_100000106460_100000210202 [1,0,1,0,0,0|2,0,0]=4 875 B11R1.28 CCOCCc1ccccc1 34a_100000210268_100000210202 [1,0,1,0,0,0|2,0,0]=4 876 B11R1.28 CCOCCc1ccccc1 34a_100121572206_100000765856 [1,0,1,0,0,0|2,0,0]=4 877 B11R1.28 CCOCCc1ccccc1 7a_100000210268_100000210202 [1,0,1,0,0,0|2,0,0]=4 878 B11R1.28 CCSCCc1ccccc1 62a_100000210202_100011218657 [1,0,1,0,0,0|2,0,0]=4 879 B11R1.28 CCSCCc1ccccc1 62a_100000765856_100000210202 [1,0,1,0,0,0|2,0,0]=4 880 B11R1.28 CNCCCc1ccccc1 2230a_100000211184_200000210301 [1,0,1,0,0,0|2,0,0]=4 881 B11R1.28 CNCCCc1ccccc1 2230a_106832991635_100000211621 [1,0,1,0,0,0|2,0,0]=4 882 B11R1.28 CNCCCc1ccccc1 34a_100000211184_200000210301 [1,0,1,0,0,0|2,0,0]=4 883 B11R1.28 CNCCCc1ccccc1 34a_100102657272_100000211621 [1,0,1,0,0,0|2,0,0]=4 884 B11R1.28 CNCCCc1ccccc1 7a_106832991635_100000211621 [1,0,1,0,0,0|2,0,0]=4 885 B11R1.28 CNCOCc1ccccc1 2230a_106832991635_100000763385 [1,0,1,0,0,0|1,0,0]=3 886 B11R1.28 CNCOCc1ccccc1 34a_100102657272_100000763385 [1,0,1,0,0,0|1,0,0]=3 887 B11R1.28 CNCSCc1ccccc1 2230a_106832991635_200011217039 [1,0,1,0,0,0|1,1,0]=4 888 B11R1.28 CNCSCc1ccccc1 34a_100102657272_200011217039 [1,0,1,0,0,0|1,1,0]=4 889 B11R1.28 COCCCc1ccccc1 34a_100000210828_200000210301 [1,0,1,0,0,0|2,0,0]=4 890 B11R1.28 COCCCc1ccccc1 34a_100138415774_100000211621 [1,0,1,0,0,0|2,0,0]=4 891 B11R1.28 COCCCc1ccccc1 7a_100000210828_200000210301 [1,0,1,0,0,0|2,0,0]=4 892 B11R1.28 COCNCc1ccccc1 2230a_100015324214_100000766300 [1,0,1,0,0,0|2,0,0]=4 893 B11R1.28 COCOCc1ccccc1 34a_100138415774_100000763385 [1,0,1,0,0,0|1,0,0]=3 894 B11R1.28 COCSCc1ccccc1 34a_100138415774_200011217039 [1,0,1,0,0,0|1,1,0]=4 895 B11R1.28 COCSCc1ccccc1 62a_100000211182_100000766300 [1,0,1,0,0,0|1,1,0]=4 896 B11R1.28 COCSCc1ccccc1 62a_100000766300_100015291786 [1,0,1,0,0,0|1,1,0]=4 897 B11R1.28 CSCCCc1ccccc1 62a_100000211621_200000210301 [1,0,1,0,0,0|2,0,0]=4 898 B11R1.28 CSCCCc1ccccc1 62a_200000210301_100000211621 [1,0,1,0,0,0|2,0,0]=4 899 B11R1.28 CSCNCc1ccccc1 2230a_100015324214_100011218213 [1,0,1,0,0,0|2,0,0]=4 900 B11R1.28 CSCNCc1ccccc1 34a_100015324214_100011218213 [1,0,1,0,0,0|2,0,0]=4 901 B11R1.28 CSCOCc1ccccc1 34a_100000210790_100011218213 [1,0,1,0,0,0|1,0,0]=3 902 B11R1.28 CSCOCc1ccccc1 62a_100000763385_200000210301 [1,0,1,0,0,0|1,0,0]=3 903 B11R1.28 CSCOCc1ccccc1 62a_200000210301_100000763385 [1,0,1,0,0,0|1,0,0]=3 904 B11R1.28 CSCSCc1ccccc1 62a_100000211182_100011218213 [1,0,1,0,0,0|1,1,0]=4 905 B11R1.28 CSCSCc1ccccc1 62a_100011218213_100015291786 [1,0,1,0,0,0|1,1,0]=4 906 B11R1.28 CSCSCc1ccccc1 62a_200000210301_200011217039 [1,0,1,0,0,0|1,1,0]=4 907 B11R1.28 CSCSCc1ccccc1 62a_200011217039_200000210301 [1,0,1,0,0,0|1,1,0]=4 908 B11R1.28 FCCNCc1ccccc1 2230a_100015324214_100011217306 [1,0,1,0,0,0|2,0,0]=4 909 B11R1.28 FCCNCc1ccccc1 34a_100000724931_100015291786 [1,0,1,0,0,0|2,0,0]=4 910 B11R1.28 FCCNCc1ccccc1 34a_100015324214_100011217306 [1,0,1,0,0,0|2,0,0]=4 911 B11R1.28 FCCOCc1ccccc1 34a_100000210790_100011217306 [1,0,1,0,0,0|1,0,0]=3 912 B11R1.28 FCCOCc1ccccc1 7a_100000210790_100011217306 [1,0,1,0,0,0|1,0,0]=3 913 B11R1.28 FCCSCc1ccccc1 62a_100000211182_100011217306 [1,0,1,0,0,0|1,1,0]=4 914 B11R1.28 FCCSCc1ccccc1 62a_100011217306_100015291786 [1,0,1,0,0,0|1,1,0]=4 915 B11R1.28 N#CCOCc1ccccc1 7a_100000210790_100011215382 [1,0,1,0,0,0|1,0,1]=4 916 B11R1.28 NCCOCc1ccccc1 34a_100000210304_100015291786 [1,0,1,0,0,0|1,0,0]=3 917 B11R1.28 NCCOCc1ccccn1 34a_100000210304_100000721315 [1,0,1,0,0,0|2,0,0]=4 918 B11R1.28 NCCOCc1cccnc1 34a_100000210304_100000733263 [1,0,1,0,0,0|2,0,0]=4 919 B11R1.28 O=CCOCc1ccccc1 34a_100000210790_200009817547 [1,0,1,0,0,0|0,0,2]=4 920 B11R1.28 O=CCOCc1ccccc1 7a_100000210790_200015260668 [1,0,1,0,0,0|0,0,2]=4 921 B11R1.28 OCCCNc1ccccc1 34a_100000106764_100000230001 [1,0,1,0,0,0|2,0,0]=4 922 B11R1.28 OCCCOc1ccccc1 34a_100000210340_100000230001 [1,0,1,0,0,0|2,0,0]=4 923 B11R1.28 OCCCOc1ccccc1 7a_100000210340_100011215043 [1,0,1,0,0,0|2,0,0]=4 924 B11R1.28 OCCCSc1ccccc1 62a_100000719477_100011215043 [1,0,1,0,0,0|2,0,0]=4 925 B11R1.28 OCCCSc1ccccc1 62a_100011215043_100000041952 [1,0,1,0,0,0|2,0,0]=4 926 B11R1.28 OCCNCc1ccccc1 207a_100000210304_100015611070 [1,0,1,0,0,0|1,0,0]=3 927 B11R1.28 OCCNCc1ccccc1 2230a_100015324214_100000211926 [1,0,1,0,0,0|1,0,0]=3 928 B11R1.28 OCCNCc1ccccc1 2230a_100016997473_100015291786 [1,0,1,0,0,0|1,0,0]=3 929 B11R1.28 OCCNCc1ccccc1 270004a_100000210304_100015611070 [1,0,1,0,0,0|1,0,0]=3 930 B11R1.28 OCCNCc1ccccc1 34a_100015324214_100000211926 [1,0,1,0,0,0|1,0,0]=3 931 B11R1.28 OCCNCc1ccccc1 34a_100016990907_100015291786 [1,0,1,0,0,0|1,0,0]=3 932 B11R1.28 OCCNCc1ccccn1 207a_100000210304_100000209966 [1,0,1,0,0,0|2,0,0]=4 933 B11R1.28 OCCNCc1ccccn1 2230a_100016997473_100000721315 [1,0,1,0,0,0|2,0,0]=4 934 B11R1.28 OCCNCc1ccccn1 270004a_100000210304_100000209966 [1,0,1,0,0,0|2,0,0]=4 935 B11R1.28 OCCNCc1ccccn1 34a_100016990907_100000721315 [1,0,1,0,0,0|2,0,0]=4 936 B11R1.28 OCCNCc1cccnc1 207a_100000210304_100000209961 [1,0,1,0,0,0|2,0,0]=4 937 B11R1.28 OCCNCc1cccnc1 2230a_100016997473_100000741622 [1,0,1,0,0,0|2,0,0]=4 938 B11R1.28 OCCNCc1cccnc1 270004a_100000210304_100000209961 [1,0,1,0,0,0|2,0,0]=4 939 B11R1.28 OCCNCc1cccnc1 34a_100016990907_100000733263 [1,0,1,0,0,0|2,0,0]=4 940 B11R1.28 OCCNCc1ccncc1 207a_100000210304_100000186114 [1,0,1,0,0,0|2,0,0]=4 941 B11R1.28 OCCNCc1ccncc1 2230a_100016997473_100015193705 [1,0,1,0,0,0|2,0,0]=4 942 B11R1.28 OCCOCc1ccccc1 34a_100000210790_100000211926 [1,0,1,0,0,0|0,0,0]=2 943 B11R1.28 OCCOCc1ccccc1 7a_100000210790_100000211926 [1,0,1,0,0,0|0,0,0]=2 944 B11R1.28 OCCSCc1ccccc1 62a_100000211182_100000211926 [1,0,1,0,0,0|0,1,0]=3 945 B11R1.28 OCCSCc1ccccc1 62a_100000211926_100015291786 [1,0,1,0,0,0|0,1,0]=3 946 B11R1.28 OCCSCc1ccccn1 62a_100000211926_100000721315 [1,0,1,0,0,0|1,1,0]=4 947 B11R1.28 OCCSCc1ccccn1 62a_100000721315_100000211926 [1,0,1,0,0,0|1,1,0]=4 948 B11R1.28 OCCSCc1cccnc1 62a_100000211926_100000741622 [1,0,1,0,0,0|1,1,0]=4 949 B11R1.28 OCCSCc1cccnc1 62a_100000741622_100000211926 [1,0,1,0,0,0|1,1,0]=4 950 B11R1.28 OCCSCc1ccncc1 62a_100000211926_100015193705 [1,0,1,0,0,0|1,1,0]=4 951 B11R1.28 OCCSCc1ccncc1 62a_100015193705_100000211926 [1,0,1,0,0,0|1,1,0]=4 952 B11R1.28 [13CH3]NCCCc1ccccc1 2230a_100000211184_200025704644 [1,0,1,0,0,0|2,0,0]=4 953 B11R1.28 [13CH3]NCCCc1ccccc1 34a_100000211184_200025704644 [1,0,1,0,0,0|2,0,0]=4 954 B11R1.28 [13CH3]OCCCc1ccccc1 34a_100000210828_200025704644 [1,0,1,0,0,0|2,0,0]=4 955 B11R1.28 [13CH3]OCCCc1ccccc1 7a_100000210828_200025704644 [1,0,1,0,0,0|2,0,0]=4 956 B11R1.28 [13CH3]SCCCc1ccccc1 62a_100000211621_200025704644 [1,0,1,0,0,0|2,0,0]=4 957 B11R1.28 [13CH3]SCCCc1ccccc1 62a_200025704644_100000211621 [1,0,1,0,0,0|2,0,0]=4 958 B11R1.28 [13CH3]SCOCc1ccccc1 62a_100000763385_200025704644 [1,0,1,0,0,0|1,0,0]=3 959 B11R1.28 [13CH3]SCOCc1ccccc1 62a_200025704644_100000763385 [1,0,1,0,0,0|1,0,0]=3 960 B11R1.28 [13CH3]SCSCc1ccccc1 62a_200011217039_200025704644 [1,0,1,0,0,0|1,1,0]=4 961 B11R1.28 [13CH3]SCSCc1ccccc1 62a_200025704644_200011217039 [1,0,1,0,0,0|1,1,0]=4 962 B11R1.91 CC(C)C=Cc1ccccc1 271570a_100016257149_100000210277 [1,0,1,0,0,0|1,0,1]=4 963 B11R1.91 CC(C)CNc1ccccc1 34a_100000106764_100000210624 [1,0,1,0,0,0|2,0,0]=4 964 B11R1.91 CC(C)COc1ccccc1 34a_100000210340_100000210624 [1,0,1,0,0,0|2,0,0]=4 965 B11R1.91 CC(C)COc1ccccc1 7a_100000210340_100000210760 [1,0,1,0,0,0|2,0,0]=4 966 B11R1.91 CC(C)CSc1ccccc1 62a_100000210624_100000041952 [1,0,1,0,0,0|2,0,0]=4 967 B11R1.91 CC(C)CSc1ccccc1 62a_100000719477_100000210760 [1,0,1,0,0,0|2,0,0]=4 968 B11R1.91 CC(C)NCc1ccccc1 207a_100138425928_100015611070 [1,0,1,0,0,0|1,0,0]=3 969 B11R1.91 CC(C)NCc1ccccc1 2230a_100015324214_100000210206 [1,0,1,0,0,0|1,0,0]=3 970 B11R1.91 CC(C)NCc1ccccc1 2230a_100138425928_100015291786 [1,0,1,0,0,0|1,0,0]=3 971 B11R1.91 CC(C)NCc1ccccc1 34a_100015324214_100000210206 [1,0,1,0,0,0|1,0,0]=3 972 B11R1.91 CC(C)NCc1ccccc1 34a_100138425928_100015291786 [1,0,1,0,0,0|1,0,0]=3 973 B11R1.91 CC(C)NCc1ccccn1 207a_100138425928_100000209966 [1,0,1,0,0,0|2,0,0]=4 974 B11R1.91 CC(C)NCc1ccccn1 2230a_100138425928_100000721315 [1,0,1,0,0,0|2,0,0]=4 975 B11R1.91 CC(C)NCc1ccccn1 34a_100138425928_100000721315 [1,0,1,0,0,0|2,0,0]=4 976 B11R1.91 CC(C)NCc1cccnc1 207a_100138425928_100000209961 [1,0,1,0,0,0|2,0,0]=4 977 B11R1.91 CC(C)NCc1cccnc1 2230a_100138425928_100000741622 [1,0,1,0,0,0|2,0,0]=4 978 B11R1.91 CC(C)NCc1cccnc1 34a_100138425928_100000733263 [1,0,1,0,0,0|2,0,0]=4 979 B11R1.91 CC(C)NCc1ccncc1 207a_100138425928_100000186114 [1,0,1,0,0,0|2,0,0]=4 980 B11R1.91 CC(C)NCc1ccncc1 2230a_100138425928_100015193705 [1,0,1,0,0,0|2,0,0]=4 981 B11R1.91 CC(C)OCc1ccccc1 34a_100000210790_100000210206 [1,0,1,0,0,0|0,0,0]=2 982 B11R1.91 CC(C)OCc1ccccc1 34a_100000212225_100015291786 [1,0,1,0,0,0|0,0,0]=2 983 B11R1.91 CC(C)OCc1ccccc1 7a_100000210790_100000210206 [1,0,1,0,0,0|0,0,0]=2 984 B11R1.91 CC(C)OCc1ccccn1 34a_100000212225_100000721315 [1,0,1,0,0,0|1,0,0]=3 985 B11R1.91 CC(C)OCc1cccnc1 34a_100000212225_100000733263 [1,0,1,0,0,0|1,0,0]=3 986 B11R1.91 CC(C)OCc1cccnn1 34a_100000212225_100016990269 [1,0,1,0,0,0|2,0,0]=4 987 B11R1.91 CC(C)OCc1cnccn1 34a_100000212225_100016995436 [1,0,1,0,0,0|2,0,0]=4 988 B11R1.91 CC(C)OCc1cncnc1 34a_100000212225_100015196519 [1,0,1,0,0,0|2,0,0]=4 989 B11R1.91 CC(C)OCc1ncccn1 34a_100000212225_100000703007 [1,0,1,0,0,0|2,0,0]=4 990 B11R1.91 CC(C)SCc1ccccc1 62a_100000210206_100015291786 [1,0,1,0,0,0|0,1,0]=3 991 B11R1.91 CC(C)SCc1ccccc1 62a_100000211182_100000210206 [1,0,1,0,0,0|0,1,0]=3 992 B11R1.91 CC(C)SCc1ccccn1 62a_100000210206_100000721315 [1,0,1,0,0,0|1,1,0]=4 993 B11R1.91 CC(C)SCc1ccccn1 62a_100000721315_100000210206 [1,0,1,0,0,0|1,1,0]=4 994 B11R1.91 CC(C)SCc1cccnc1 62a_100000210206_100000741622 [1,0,1,0,0,0|1,1,0]=4 995 B11R1.91 CC(C)SCc1cccnc1 62a_100000741622_100000210206 [1,0,1,0,0,0|1,1,0]=4 996 B11R1.91 CC(C)SCc1ccncc1 62a_100000210206_100015193705 [1,0,1,0,0,0|1,1,0]=4 997 B11R1.91 CC(C)SCc1ccncc1 62a_100015193705_100000210206 [1,0,1,0,0,0|1,1,0]=4 998 B11R1.91 CC(O)C=Cc1ccccc1 271570a_200011019289_100000210277 [1,0,1,0,0,0|1,0,1]=4 999 B11R1.91 CC(O)CNc1ccccc1 34a_100000106764_100011218427 [1,0,1,0,0,0|2,0,0]=4 1000 B11R1.91 CC(O)COc1ccccc1 34a_100000210340_100011218427 [1,0,1,0,0,0|2,0,0]=4 1001 B11R1.91 CC(O)COc1ccccc1 7a_100000210340_100011218427 [1,0,1,0,0,0|2,0,0]=4 1002 B11R1.91 CC(O)CSc1ccccc1 62a_100000719477_100011218427 [1,0,1,0,0,0|2,0,0]=4 1003 B11R1.91 CC(O)CSc1ccccc1 62a_100011218427_100000041952 [1,0,1,0,0,0|2,0,0]=4 1004 B11R1.91 CN(C)CCc1ccccc1 2230a_100000207497_200000210301 [1,0,1,0,0,0|2,0,0]=4 1005 B11R1.91 CN(C)CCc1ccccc1 2230a_100102631434_100000765856 [1,0,1,0,0,0|2,0,0]=4 1006 B11R1.91 CN(C)CCc1ccccc1 269982a_100000207497_200000210301 [1,0,1,0,0,0|2,0,0]=4 1007 B11R1.91 CN(C)CCc1ccccc1 269982a_100102631434_100000765856 [1,0,1,0,0,0|2,0,0]=4 1008 B11R1.91 CN([13CH3])CCc1ccccc1 2230a_100000207497_200025704644 [1,0,1,0,0,0|2,0,0]=4 1009 B11R1.91 CN([13CH3])CCc1ccccc1 269982a_100000207497_200025704644 [1,0,1,0,0,0|2,0,0]=4 1010 B11R1.91 C[C@@H](O)CNc1ccccc1 34a_100000106764_100009817552 [1,0,1,0,0,0|2,0,0]=4 1011 B11R1.91 C[C@@H](O)COc1ccccc1 34a_100000210340_100009817552 [1,0,1,0,0,0|2,0,0]=4 1012 B11R1.91 C[C@@H](O)COc1ccccc1 7a_100000210340_100009817552 [1,0,1,0,0,0|2,0,0]=4 1013 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100000719477_100009817552 [1,0,1,0,0,0|2,0,0]=4 1014 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100009817552_100000041952 [1,0,1,0,0,0|2,0,0]=4 1015 B13R1.1 C#CC(OCC)c1ccc(cc1)Cl 34a_100011470666_100000210202 [0,1,1,0,0,0|1,0,1]=4 1016 B13R1.1 C#CC(OCC)c1ccc(cc1)Cl 7a_100011470666_100000210202 [0,1,1,0,0,0|1,0,1]=4 1017 B13R1.1 CCC(OCF)c1ccc(cc1)Br 34a_100000246506_100015361967 [0,1,1,0,0,0|2,0,0]=4 1018 B13R1.1 CCC(OCF)c1ccc(cc1)Br 7a_100000246506_100015361967 [0,1,1,0,0,0|2,0,0]=4 1019 B13R1.1 CCC(OCF)c1ccc(cc1)C 34a_100000246521_100015361967 [0,1,1,0,0,0|2,0,0]=4 1020 B13R1.1 CCC(OCF)c1ccc(cc1)C 7a_100000246521_100015361967 [0,1,1,0,0,0|2,0,0]=4 1021 B13R1.1 CCC(OCF)c1ccc(cc1)Cl 34a_100000246471_100015361967 [0,1,1,0,0,0|2,0,0]=4 1022 B13R1.1 CCC(OCF)c1ccc(cc1)Cl 7a_100000246471_100015361967 [0,1,1,0,0,0|2,0,0]=4 1023 B13R1.1 CCC(OCF)c1ccc(cc1)F 34a_100000246474_100015361967 [0,1,1,0,0,0|2,0,0]=4 1024 B13R1.1 CCC(OCF)c1ccc(cc1)F 7a_100000246474_100015361967 [0,1,1,0,0,0|2,0,0]=4 1025 B13R1.1 CCCC(NC)c1ccc(cc1)Br 269862a_106832991636_100011267722 [0,1,1,0,0,0|2,0,0]=4 1026 B13R1.1 CCCC(NC)c1ccc(cc1)C 269862a_106832991636_200011216210 [0,1,1,0,0,0|2,0,0]=4 1027 B13R1.1 CCCC(NC)c1ccc(cc1)Cl 269862a_106832991636_100000211515 [0,1,1,0,0,0|2,0,0]=4 1028 B13R1.1 CCCC(NC)c1ccc(cc1)F 269862a_106832991636_100011267477 [0,1,1,0,0,0|2,0,0]=4 1029 B13R1.1 CCCC(OC)c1ccc(cc1)Br 34a_100011350873_200000210301 [0,1,1,0,0,0|1,0,0]=3 1030 B13R1.1 CCCC(OC)c1ccc(cc1)Br 7a_100011350873_200000210301 [0,1,1,0,0,0|1,0,0]=3 1031 B13R1.1 CCCC(O[13CH3])c1ccc(cc1)Br 34a_100011350873_200025704644 [0,1,1,0,0,0|1,0,0]=3 1032 B13R1.1 CCCC(O[13CH3])c1ccc(cc1)Br 7a_100011350873_200025704644 [0,1,1,0,0,0|1,0,0]=3 1033 B13R1.1 CCC[C@@H](NC)c1ccc(cc1)C 2230a_200020633650_200000210301 [0,1,1,0,0,0|2,0,0]=4 1034 B13R1.1 CCC[C@@H](NC)c1ccc(cc1)C 34a_200020633650_200000210301 [0,1,1,0,0,0|2,0,0]=4 1035 B13R1.1 CCC[C@@H](N[13CH3])c1ccc(cc1)C 2230a_200020633650_200025704644 [0,1,1,0,0,0|2,0,0]=4 1036 B13R1.1 CCC[C@@H](N[13CH3])c1ccc(cc1)C 34a_200020633650_200025704644 [0,1,1,0,0,0|2,0,0]=4 1037 B13R1.1 CCC[C@H](NC)c1ccc(cc1)F 2230a_100020612123_200000210301 [0,1,1,0,0,0|2,0,0]=4 1038 B13R1.1 CCC[C@H](NC)c1ccc(cc1)F 34a_100020612123_200000210301 [0,1,1,0,0,0|2,0,0]=4 1039 B13R1.1 CCC[C@H](N[13CH3])c1ccc(cc1)F 2230a_100020612123_200025704644 [0,1,1,0,0,0|2,0,0]=4 1040 B13R1.1 CCC[C@H](N[13CH3])c1ccc(cc1)F 34a_100020612123_200025704644 [0,1,1,0,0,0|2,0,0]=4 1041 B13R1.1 CCNC(CC)c1ccc(cc1)Br 269862a_100015525214_100000211647 [0,1,1,0,0,0|2,0,0]=4 1042 B13R1.1 CCNC(CC)c1ccc(cc1)C 2230a_100000749201_100000210202 [0,1,1,0,0,0|2,0,0]=4 1043 B13R1.1 CCNC(CC)c1ccc(cc1)C 269862a_100015525214_100000185863 [0,1,1,0,0,0|2,0,0]=4 1044 B13R1.1 CCNC(CC)c1ccc(cc1)C 34a_100000749201_100000210202 [0,1,1,0,0,0|2,0,0]=4 1045 B13R1.1 CCNC(CC)c1ccc(cc1)Cl 269862a_100015525214_100000210983 [0,1,1,0,0,0|2,0,0]=4 1046 B13R1.1 CCNC(CC)c1ccc(cc1)F 2230a_100011191751_100000210202 [0,1,1,0,0,0|2,0,0]=4 1047 B13R1.1 CCNC(CC)c1ccc(cc1)F 269862a_100015525214_100000211089 [0,1,1,0,0,0|2,0,0]=4 1048 B13R1.1 CCNC(CC)c1ccc(cc1)F 34a_100011191751_100000210202 [0,1,1,0,0,0|2,0,0]=4 1049 B13R1.1 CCNC(CC)c1ccc(cc1)I 269862a_100015525214_100000763097 [0,1,1,0,0,0|2,0,0]=4 1050 B13R1.1 CCNC(CC)c1ccc(cc1)O 34a_100015187210_100000210202 [0,1,1,0,0,0|2,0,0]=4 1051 B13R1.1 CCN[C@@H](CC)c1ccc(cc1)Br 2230a_100025736560_100000210202 [0,1,1,0,0,0|2,0,0]=4 1052 B13R1.1 CCN[C@@H](CC)c1ccc(cc1)Br 34a_100025736560_100000210202 [0,1,1,0,0,0|2,0,0]=4 1053 B13R1.1 CCN[C@@H](CC)c1ccc(cc1)Cl 2230a_100015186824_100000210202 [0,1,1,0,0,0|2,0,0]=4 1054 B13R1.1 CCN[C@@H](CC)c1ccc(cc1)Cl 34a_100015186824_100000210202 [0,1,1,0,0,0|2,0,0]=4 1055 B13R1.1 CCOC(CC)c1ccc(cc1)Br 34a_100000246506_100000210202 [0,1,1,0,0,0|1,0,0]=3 1056 B13R1.1 CCOC(CC)c1ccc(cc1)Br 7a_100000246506_100000210202 [0,1,1,0,0,0|1,0,0]=3 1057 B13R1.1 CCOC(CC)c1ccc(cc1)C 34a_100000246521_100000210202 [0,1,1,0,0,0|1,0,0]=3 1058 B13R1.1 CCOC(CC)c1ccc(cc1)C 7a_100000246521_100000210202 [0,1,1,0,0,0|1,0,0]=3 1059 B13R1.1 CCOC(CC)c1ccc(cc1)Cl 34a_100000246471_100000210202 [0,1,1,0,0,0|1,0,0]=3 1060 B13R1.1 CCOC(CC)c1ccc(cc1)Cl 7a_100000246471_100000210202 [0,1,1,0,0,0|1,0,0]=3 1061 B13R1.1 CCOC(CC)c1ccc(cc1)F 34a_100000246474_100000210202 [0,1,1,0,0,0|1,0,0]=3 1062 B13R1.1 CCOC(CC)c1ccc(cc1)F 7a_100000246474_100000210202 [0,1,1,0,0,0|1,0,0]=3 1063 B13R1.1 CCOC(CCl)c1ccc(cc1)Cl 34a_200011996143_100000210202 [0,1,1,0,0,0|2,0,0]=4 1064 B13R1.1 CCOC(CCl)c1ccc(cc1)Cl 7a_200011996143_100000210202 [0,1,1,0,0,0|2,0,0]=4 1065 B13R1.1 CCOC(CN)c1ccc(cc1)Br 34a_100020626992_100000210202 [0,1,1,0,0,0|2,0,0]=4 1066 B13R1.1 CCOC(CN)c1ccc(cc1)Cl 34a_100000736658_100000210202 [0,1,1,0,0,0|2,0,0]=4 1067 B13R1.1 CCO[C@@H](C#N)c1ccc(cc1)C 34a_200009814964_100000210202 [0,1,1,0,0,0|2,0,0]=4 1068 B13R1.1 CCO[C@@H](C#N)c1ccc(cc1)C 7a_200009814964_100000210202 [0,1,1,0,0,0|2,0,0]=4 1069 B13R1.1 CCO[C@@H](CCl)c1ccc(cc1)F 34a_100000720402_100000210202 [0,1,1,0,0,0|2,0,0]=4 1070 B13R1.1 CCO[C@@H](CCl)c1ccc(cc1)F 7a_100000720402_100000210202 [0,1,1,0,0,0|2,0,0]=4 1071 B13R1.2 CCC(OCF)c1cccc(c1)Cl 34a_100000766619_100015361967 [0,1,1,0,0,0|2,0,0]=4 1072 B13R1.2 CCC(OCF)c1cccc(c1)Cl 7a_100000766619_100015361967 [0,1,1,0,0,0|2,0,0]=4 1073 B13R1.2 CCC(OCF)c1cccc(c1)F 34a_100011350881_100015361967 [0,1,1,0,0,0|2,0,0]=4 1074 B13R1.2 CCC(OCF)c1cccc(c1)F 7a_100011350881_100015361967 [0,1,1,0,0,0|2,0,0]=4 1075 B13R1.2 CCC(OCF)c1cccc(c1)I 34a_200013212081_100015361967 [0,1,1,0,0,0|2,0,0]=4 1076 B13R1.2 CCC(OCF)c1cccc(c1)I 7a_200013212081_100015361967 [0,1,1,0,0,0|2,0,0]=4 1077 B13R1.2 CCNC(CC)c1cccc(c1)Br 269862a_100015525214_100000211677 [0,1,1,0,0,0|2,0,0]=4 1078 B13R1.2 CCNC(CC)c1cccc(c1)C 269862a_100015525214_100000730664 [0,1,1,0,0,0|2,0,0]=4 1079 B13R1.2 CCNC(CC)c1cccc(c1)Cl 2230a_100000737531_100000210202 [0,1,1,0,0,0|2,0,0]=4 1080 B13R1.2 CCNC(CC)c1cccc(c1)Cl 269862a_100015525214_100000211052 [0,1,1,0,0,0|2,0,0]=4 1081 B13R1.2 CCNC(CC)c1cccc(c1)Cl 34a_100000737531_100000210202 [0,1,1,0,0,0|2,0,0]=4 1082 B13R1.2 CCNC(CC)c1cccc(c1)F 2230a_100159265421_100000210202 [0,1,1,0,0,0|2,0,0]=4 1083 B13R1.2 CCNC(CC)c1cccc(c1)F 269862a_100015525214_100000687998 [0,1,1,0,0,0|2,0,0]=4 1084 B13R1.2 CCNC(CC)c1cccc(c1)F 34a_100159265421_100000210202 [0,1,1,0,0,0|2,0,0]=4 1085 B13R1.2 CCNC(CC)c1cccc(c1)O 2230a_100159312145_100000210202 [0,1,1,0,0,0|2,0,0]=4 1086 B13R1.2 CCNC(CC)c1cccc(c1)O 269862a_100015525214_100011996911 [0,1,1,0,0,0|2,0,0]=4 1087 B13R1.2 CCNC(CC)c1cccc(c1)O 34a_100159312145_100000210202 [0,1,1,0,0,0|2,0,0]=4 1088 B13R1.2 CCN[C@@H](CC)c1cccc(c1)Br 2230a_100102422761_100000210202 [0,1,1,0,0,0|2,0,0]=4 1089 B13R1.2 CCN[C@@H](CC)c1cccc(c1)Br 34a_100102422761_100000210202 [0,1,1,0,0,0|2,0,0]=4 1090 B13R1.2 CCN[C@H](CC)c1cccc(c1)C 2230a_200016991486_100000210202 [0,1,1,0,0,0|2,0,0]=4 1091 B13R1.2 CCN[C@H](CC)c1cccc(c1)C 34a_200016991486_100000210202 [0,1,1,0,0,0|2,0,0]=4 1092 B13R1.2 CCOC(CC)c1cccc(c1)Cl 34a_100000766619_100000210202 [0,1,1,0,0,0|1,0,0]=3 1093 B13R1.2 CCOC(CC)c1cccc(c1)Cl 7a_100000766619_100000210202 [0,1,1,0,0,0|1,0,0]=3 1094 B13R1.2 CCOC(CC)c1cccc(c1)F 34a_100011350881_100000210202 [0,1,1,0,0,0|1,0,0]=3 1095 B13R1.2 CCOC(CC)c1cccc(c1)F 7a_100011350881_100000210202 [0,1,1,0,0,0|1,0,0]=3 1096 B13R1.2 CCOC(CC)c1cccc(c1)I 34a_200013212081_100000210202 [0,1,1,0,0,0|1,0,0]=3 1097 B13R1.2 CCOC(CC)c1cccc(c1)I 7a_200013212081_100000210202 [0,1,1,0,0,0|1,0,0]=3 1098 B13R1.2 CNCC(OC)c1cccc(c1)Br 34a_200000733937_200000210301 [0,1,1,0,0,0|2,0,0]=4 1099 B13R1.2 CNCC(O[13CH3])c1cccc(c1)Br 34a_200000733937_200025704644 [0,1,1,0,0,0|2,0,0]=4 1100 B13R1.26 C#CC(OCCC)c1ccccc1 34a_100011219616_100000210303 [0,1,1,0,0,0|1,0,1]=4 1101 B13R1.26 C#CC(OCCC)c1ccccc1 7a_100011219616_100000210303 [0,1,1,0,0,0|1,0,1]=4 1102 B13R1.26 C#CC(OCCF)c1ccccc1 34a_100011219616_100011217306 [0,1,1,0,0,0|1,0,1]=4 1103 B13R1.26 C#CC(OCCF)c1ccccc1 7a_100011219616_100011217306 [0,1,1,0,0,0|1,0,1]=4 1104 B13R1.26 C#CC(OCCO)c1ccccc1 34a_100011219616_100000211926 [0,1,1,0,0,0|1,0,1]=4 1105 B13R1.26 C#CC(OCCO)c1ccccc1 7a_100011219616_100000211926 [0,1,1,0,0,0|1,0,1]=4 1106 B13R1.26 C#CC(OCSC)c1ccccc1 34a_100011219616_100011218213 [0,1,1,0,0,0|1,0,1]=4 1107 B13R1.26 C#CCOC(CC)c1ccccc1 34a_100000698172_100000184674 [0,1,1,0,0,0|1,0,1]=4 1108 B13R1.26 C#CCOC(CC)c1ccccc1 7a_100000698172_100000038162 [0,1,1,0,0,0|1,0,1]=4 1109 B13R1.26 C=CC(OCCC)c1ccccc1 34a_100011215659_100000210303 [0,1,1,0,0,0|1,0,1]=4 1110 B13R1.26 C=CC(OCCC)c1ccccc1 7a_100011215659_100000210303 [0,1,1,0,0,0|1,0,1]=4 1111 B13R1.26 C=CC(OCCF)c1ccccc1 34a_100011215659_100011217306 [0,1,1,0,0,0|1,0,1]=4 1112 B13R1.26 C=CC(OCCF)c1ccccc1 7a_100011215659_100011217306 [0,1,1,0,0,0|1,0,1]=4 1113 B13R1.26 C=CC(OCCO)c1ccccc1 34a_100011215659_100000211926 [0,1,1,0,0,0|1,0,1]=4 1114 B13R1.26 C=CC(OCCO)c1ccccc1 7a_100011215659_100000211926 [0,1,1,0,0,0|1,0,1]=4 1115 B13R1.26 C=CC(OCSC)c1ccccc1 34a_100011215659_100011218213 [0,1,1,0,0,0|1,0,1]=4 1116 B13R1.26 C=CCOC(CC)c1ccccc1 34a_100000698172_100015514636 [0,1,1,0,0,0|1,0,1]=4 1117 B13R1.26 C=CCOC(CC)c1ccccc1 7a_100000698172_100015514636 [0,1,1,0,0,0|1,0,1]=4 1118 B13R1.26 CCC(COCF)c1ccccc1 34a_100000752371_100015361967 [0,1,1,0,0,0|2,0,0]=4 1119 B13R1.26 CCC(COCF)c1ccccc1 7a_100000752371_100015361967 [0,1,1,0,0,0|2,0,0]=4 1120 B13R1.26 CCC(NCCF)c1ccccc1 2230a_100000737752_100011217306 [0,1,1,0,0,0|2,0,0]=4 1121 B13R1.26 CCC(NCCF)c1ccccc1 269862a_100000724931_100000210124 [0,1,1,0,0,0|2,0,0]=4 1122 B13R1.26 CCC(NCCO)c1ccccc1 2230a_100000737752_100000211926 [0,1,1,0,0,0|2,0,0]=4 1123 B13R1.26 CCC(NCCO)c1ccccc1 269862a_100000210304_100000210124 [0,1,1,0,0,0|2,0,0]=4 1124 B13R1.26 CCC(NCOC)c1ccccc1 2230a_100000737752_100000766300 [0,1,1,0,0,0|2,0,0]=4 1125 B13R1.26 CCC(NCSC)c1ccccc1 2230a_100000737752_100011218213 [0,1,1,0,0,0|2,0,0]=4 1126 B13R1.26 CCC(OCC#N)c1ccccc1 7a_100000698172_100011215382 [0,1,1,0,0,0|1,0,1]=4 1127 B13R1.26 CCC(OCC=O)c1ccccc1 34a_100000698172_200009817547 [0,1,1,0,0,0|1,0,1]=4 1128 B13R1.26 CCC(OCC=O)c1ccccc1 7a_100000698172_200015260668 [0,1,1,0,0,0|1,0,1]=4 1129 B13R1.26 CCC(OCCF)c1ccccc1 34a_100000698172_100011217306 [0,1,1,0,0,0|1,0,0]=3 1130 B13R1.26 CCC(OCCF)c1ccccc1 7a_100000698172_100011217306 [0,1,1,0,0,0|1,0,0]=3 1131 B13R1.26 CCC(OCCO)c1ccccc1 34a_100000698172_100000211926 [0,1,1,0,0,0|1,0,0]=3 1132 B13R1.26 CCC(OCCO)c1ccccc1 7a_100000698172_100000211926 [0,1,1,0,0,0|1,0,0]=3 1133 B13R1.26 CCC(OCSC)c1ccccc1 34a_100000698172_100011218213 [0,1,1,0,0,0|1,0,0]=3 1134 B13R1.26 CCCCC(NC)c1ccccc1 269862a_106832991636_100000211663 [0,1,1,0,0,0|2,0,0]=4 1135 B13R1.26 CCCCC(OC)c1ccccc1 34a_100000698411_200000210301 [0,1,1,0,0,0|1,0,0]=3 1136 B13R1.26 CCCCC(OC)c1ccccc1 7a_100000698411_200000210301 [0,1,1,0,0,0|1,0,0]=3 1137 B13R1.26 CCCCC(O[13CH3])c1ccccc1 34a_100000698411_200025704644 [0,1,1,0,0,0|1,0,0]=3 1138 B13R1.26 CCCCC(O[13CH3])c1ccccc1 7a_100000698411_200025704644 [0,1,1,0,0,0|1,0,0]=3 1139 B13R1.26 CCCNC(CC)c1ccccc1 2230a_100000737752_100000210303 [0,1,1,0,0,0|2,0,0]=4 1140 B13R1.26 CCCNC(CC)c1ccccc1 269862a_100020643023_100000210124 [0,1,1,0,0,0|2,0,0]=4 1141 B13R1.26 CCCOC(C#N)c1ccccc1 7a_100011217353_100000210303 [0,1,1,0,0,0|2,0,0]=4 1142 B13R1.26 CCCOC(CBr)c1ccccc1 7a_100000185958_100000210303 [0,1,1,0,0,0|2,0,0]=4 1143 B13R1.26 CCCOC(CC)c1ccccc1 34a_100000698172_100000210303 [0,1,1,0,0,0|1,0,0]=3 1144 B13R1.26 CCCOC(CC)c1ccccc1 7a_100000698172_100000210303 [0,1,1,0,0,0|1,0,0]=3 1145 B13R1.26 CCCOC(CN)c1ccccc1 34a_100000210709_100000210303 [0,1,1,0,0,0|2,0,0]=4 1146 B13R1.26 CCCO[C@H](CCl)c1ccccc1 34a_100011933945_100000210303 [0,1,1,0,0,0|2,0,0]=4 1147 B13R1.26 CCCO[C@H](CCl)c1ccccc1 7a_100011933945_100000210303 [0,1,1,0,0,0|2,0,0]=4 1148 B13R1.26 CCNCC(CC)c1ccccc1 270004a_100015525214_100000753018 [0,1,1,0,0,0|2,0,0]=4 1149 B13R1.26 CCOCC(CC)c1ccccc1 34a_100000752371_100000210202 [0,1,1,0,0,0|1,0,0]=3 1150 B13R1.26 CCOCC(CC)c1ccccc1 7a_100000752371_100000210202 [0,1,1,0,0,0|1,0,0]=3 1151 B13R1.26 CCOCC(OC)c1ccccc1 34a_100011215540_100000210202 [0,1,1,0,0,0|0,0,0]=2 1152 B13R1.26 CCOCC(OC)c1ccccc1 7a_100011215540_100000210202 [0,1,1,0,0,0|0,0,0]=2 1153 B13R1.26 CCOCN(CC)c1ccccc1 269982a_100000210013_100000739092 [0,1,1,0,0,0|2,0,0]=4 1154 B13R1.26 CNC(CCCO)c1ccccc1 2230a_100000759318_200000210301 [0,1,1,0,0,0|2,0,0]=4 1155 B13R1.26 CNC(CCCO)c1ccccc1 34a_100000759318_200000210301 [0,1,1,0,0,0|2,0,0]=4 1156 B13R1.26 CNCCC(NC)c1ccccc1 269862a_106832991636_100015249630 [0,1,1,0,0,0|2,0,0]=4 1157 B13R1.26 COC(COCF)c1ccccc1 34a_100011215540_100015361967 [0,1,1,0,0,0|1,0,0]=3 1158 B13R1.26 COC(COCF)c1ccccc1 7a_100011215540_100015361967 [0,1,1,0,0,0|1,0,0]=3 1159 B13R1.26 CSCOC(CN)c1ccccc1 34a_100000210709_100011218213 [0,1,1,0,0,0|2,0,0]=4 1160 B13R1.26 CSCO[C@H](CCl)c1ccccc1 34a_100011933945_100011218213 [0,1,1,0,0,0|2,0,0]=4 1161 B13R1.26 FCCOC(CBr)c1ccccc1 7a_100000185958_100011217306 [0,1,1,0,0,0|2,0,0]=4 1162 B13R1.26 FCCO[C@H](CCl)c1ccccc1 34a_100011933945_100011217306 [0,1,1,0,0,0|2,0,0]=4 1163 B13R1.26 FCCO[C@H](CCl)c1ccccc1 7a_100011933945_100011217306 [0,1,1,0,0,0|2,0,0]=4 1164 B13R1.26 N#CC(OCCF)c1ccccc1 7a_100011217353_100011217306 [0,1,1,0,0,0|2,0,0]=4 1165 B13R1.26 N#CC(OCCO)c1ccccc1 7a_100011217353_100000211926 [0,1,1,0,0,0|2,0,0]=4 1166 B13R1.26 NCC(OCCF)c1ccccc1 34a_100000210709_100011217306 [0,1,1,0,0,0|2,0,0]=4 1167 B13R1.26 NCC(OCCO)c1ccccc1 34a_100000210709_100000211926 [0,1,1,0,0,0|2,0,0]=4 1168 B13R1.26 OCCOC(CBr)c1ccccc1 7a_100000185958_100000211926 [0,1,1,0,0,0|2,0,0]=4 1169 B13R1.26 OCCO[C@H](CCl)c1ccccc1 34a_100011933945_100000211926 [0,1,1,0,0,0|2,0,0]=4 1170 B13R1.26 OCCO[C@H](CCl)c1ccccc1 7a_100011933945_100000211926 [0,1,1,0,0,0|2,0,0]=4 1171 B13R1.26 [13CH3]NC(CCCO)c1ccccc1 2230a_100000759318_200025704644 [0,1,1,0,0,0|2,0,0]=4 1172 B13R1.26 [13CH3]NC(CCCO)c1ccccc1 34a_100000759318_200025704644 [0,1,1,0,0,0|2,0,0]=4 1173 B13R1.173 CCC(OCF)c1ccccc1F 34a_200011689290_100015361967 [0,1,1,0,0,0|2,0,0]=4 1174 B13R1.173 CCC(OCF)c1ccccc1F 7a_200011689290_100015361967 [0,1,1,0,0,0|2,0,0]=4 1175 B13R1.173 CCCC(NC)c1ccccc1Cl 269862a_106832991636_100011400565 [0,1,1,0,0,0|2,0,0]=4 1176 B13R1.173 CCNC(CC)c1ccccc1C 269862a_100015525214_100011350723 [0,1,1,0,0,0|2,0,0]=4 1177 B13R1.173 CCNC(CC)c1ccccc1Cl 269862a_100015525214_100011400563 [0,1,1,0,0,0|2,0,0]=4 1178 B13R1.173 CCNC(CC)c1ccccc1F 269862a_100015525214_100000686739 [0,1,1,0,0,0|2,0,0]=4 1179 B13R1.173 CCN[C@@H](CC)c1ccccc1Cl 2230a_200016987949_100000210202 [0,1,1,0,0,0|2,0,0]=4 1180 B13R1.173 CCN[C@@H](CC)c1ccccc1Cl 34a_200016987949_100000210202 [0,1,1,0,0,0|2,0,0]=4 1181 B13R1.173 CCN[C@@H](CC)c1ccccc1F 2230a_100015190424_100000210202 [0,1,1,0,0,0|2,0,0]=4 1182 B13R1.173 CCN[C@@H](CC)c1ccccc1F 34a_100015190424_100000210202 [0,1,1,0,0,0|2,0,0]=4 1183 B13R1.173 CCOC(C#N)c1ccccc1Cl 7a_200011294979_100000210202 [0,1,1,0,0,0|2,0,0]=4 1184 B13R1.173 CCOC(CC)c1ccccc1F 34a_200011689290_100000210202 [0,1,1,0,0,0|1,0,0]=3 1185 B13R1.173 CCOC(CC)c1ccccc1F 7a_200011689290_100000210202 [0,1,1,0,0,0|1,0,0]=3 1186 B13R1.173 CCOC(CN)c1ccccc1Br 34a_100011236429_100000210202 [0,1,1,0,0,0|2,0,0]=4 1187 B13R1.173 CCOC(CN)c1ccccc1Cl 34a_200000759403_100000210202 [0,1,1,0,0,0|2,0,0]=4 1188 B13R1.398 C=CCC(OCC)c1ccccc1 34a_100000687291_100000210202 [0,1,1,0,0,0|1,0,1]=4 1189 B13R1.398 C=CCC(OCC)c1ccccc1 7a_100000687291_100000210202 [0,1,1,0,0,0|1,0,1]=4 1190 B13R1.398 CCCC(NCC)c1ccccc1 2230a_100000189686_100000210202 [0,1,1,0,0,0|2,0,0]=4 1191 B13R1.398 CCCC(NCC)c1ccccc1 269862a_100015525214_100000211045 [0,1,1,0,0,0|2,0,0]=4 1192 B13R1.398 CCCC(NCC)c1ccccc1 34a_100000189686_100000210202 [0,1,1,0,0,0|2,0,0]=4 1193 B13R1.398 CCCC(NCF)c1ccccc1 34a_100000189686_100015361967 [0,1,1,0,0,0|2,0,0]=4 1194 B13R1.398 CCCC(OCC)c1ccccc1 34a_100000747916_100000210202 [0,1,1,0,0,0|1,0,0]=3 1195 B13R1.398 CCCC(OCC)c1ccccc1 7a_100000747916_100000210202 [0,1,1,0,0,0|1,0,0]=3 1196 B13R1.398 CCCC(OCF)c1ccccc1 34a_100000747916_100015361967 [0,1,1,0,0,0|1,0,0]=3 1197 B13R1.398 CCCC(OCF)c1ccccc1 7a_100000747916_100015361967 [0,1,1,0,0,0|1,0,0]=3 1198 B13R1.398 CCCN(COC)c1ccccc1 2230a_200011218496_100000766300 [0,1,1,0,0,0|2,0,0]=4 1199 B13R1.398 CCCN(COC)c1ccccc1 269982a_200011218496_100000766300 [0,1,1,0,0,0|2,0,0]=4 1200 B13R1.398 CCNC(CCCl)c1ccccc1 2230a_100015525214_200010132975 [0,1,1,0,0,0|2,0,0]=4 1201 B13R1.398 CCNC(COC)c1ccccc1 269862a_100015525214_100000765260 [0,1,1,0,0,0|1,0,0]=3 1202 B13R1.398 CCN[C@@H](CCO)c1ccccc1 2230a_100025705951_100000210202 [0,1,1,0,0,0|2,0,0]=4 1203 B13R1.398 CCN[C@H](COC)c1ccccc1 2230a_103619048568_100000210202 [0,1,1,0,0,0|1,0,0]=3 1204 B13R1.398 CCN[C@H](COC)c1ccccc1 34a_103619048568_100000210202 [0,1,1,0,0,0|1,0,0]=3 1205 B13R1.398 CCOC(CCN)c1ccccc1 34a_100000763605_100000210202 [0,1,1,0,0,0|1,0,0]=3 1206 B13R1.398 CCO[C@H](CC#N)c1ccccc1 7a_100009817555_100000210202 [0,1,1,0,0,0|1,0,1]=4 1207 B13R1.398 CCO[C@H](CCCl)c1ccccc1 34a_100000729684_100000210202 [0,1,1,0,0,0|1,0,0]=3 1208 B13R1.398 CCO[C@H](CCCl)c1ccccc1 7a_100000729684_100000210202 [0,1,1,0,0,0|1,0,0]=3 1209 B13R1.398 CCSC(CCCl)c1ccccc1 62a_100000210202_200010132975 [0,1,1,0,0,0|1,1,0]=4 1210 B13R1.398 CCSC(CCCl)c1ccccc1 62a_200010132975_100000210202 [0,1,1,0,0,0|1,1,0]=4 1211 B13R1.398 COC[C@@H](NCF)c1ccccc1 34a_103619048568_100015361967 [0,1,1,0,0,0|2,0,0]=4 1212 B13R1.398 FCO[C@H](CCCl)c1ccccc1 34a_100000729684_100015361967 [0,1,1,0,0,0|2,0,0]=4 1213 B13R1.398 FCO[C@H](CCCl)c1ccccc1 7a_100000729684_100015361967 [0,1,1,0,0,0|2,0,0]=4 1214 B13R1.398 NCCC(OCF)c1ccccc1 34a_100000763605_100015361967 [0,1,1,0,0,0|2,0,0]=4 1215 B13R1.402 C#CC(C)(OCC)c1ccccc1 34a_100000198054_100000210202 [0,1,1,0,0,0|1,0,1]=4 1216 B13R1.402 C#CC(C)(OCC)c1ccccc1 7a_100000198054_100000210202 [0,1,1,0,0,0|1,0,1]=4 1217 B13R1.402 CCC(C)(OCF)c1ccccc1 7a_100000748282_100015361967 [0,1,1,0,0,0|2,0,0]=4 1218 B13R1.402 CCCC(C)(OC)c1ccccc1 7a_200011216028_200000210301 [0,1,1,0,0,0|1,0,0]=3 1219 B13R1.402 CCCC(C)(O[13CH3])c1ccccc1 7a_200011216028_200025704644 [0,1,1,0,0,0|1,0,0]=3 1220 B13R1.402 CCOC(C)(CC)c1ccccc1 7a_100000748282_100000210202 [0,1,1,0,0,0|1,0,0]=3 1221 B13R1.405 C=C(C)C(OCC)c1ccccc1 34a_200011216824_100000210202 [0,1,1,0,0,0|1,0,0]=3 1222 B13R1.405 C=C(C)C(OCC)c1ccccc1 7a_200011216824_100000210202 [0,1,1,0,0,0|1,0,0]=3 1223 B13R1.405 C=C(C)C(OCF)c1ccccc1 34a_200011216824_100015361967 [0,1,1,0,0,0|2,0,0]=4 1224 B13R1.405 C=C(C)C(OCF)c1ccccc1 7a_200011216824_100015361967 [0,1,1,0,0,0|2,0,0]=4 1225 B13R1.405 CC(C)C(OCF)c1ccccc1 34a_200011217822_100015361967 [0,1,1,0,0,0|2,0,0]=4 1226 B13R1.405 CC(C)C(OCF)c1ccccc1 7a_200011217822_100015361967 [0,1,1,0,0,0|2,0,0]=4 1227 B13R1.405 CCNC(C(=O)C)c1ccccc1 2230a_100015525214_100009888967 [0,1,1,0,0,0|2,0,0]=4 1228 B13R1.405 CCN[C@@H](c1ccccc1)[C@H](C)O 2230a_100134616770_100000210202 [0,1,1,0,0,0|2,0,0]=4 1229 B13R1.405 CCN[C@H](c1ccccc1)C(C)C 2230a_100015186014_100000210202 [0,1,1,0,0,0|2,0,0]=4 1230 B13R1.405 CCN[C@H](c1ccccc1)C(C)C 34a_100015186014_100000210202 [0,1,1,0,0,0|2,0,0]=4 1231 B13R1.405 CCOC(C(=O)N)c1ccccc1 34a_100011200849_100000210202 [0,1,1,0,0,0|2,0,0]=4 1232 B13R1.405 CCOC(C(=O)N)c1ccccc1 7a_100011200849_100000210202 [0,1,1,0,0,0|2,0,0]=4 1233 B13R1.405 CCOC(c1ccccc1)C(C)C 34a_200011217822_100000210202 [0,1,1,0,0,0|1,0,0]=3 1234 B13R1.405 CCOC(c1ccccc1)C(C)C 7a_200011217822_100000210202 [0,1,1,0,0,0|1,0,0]=3 1235 B13R1.405 CCSC(C(=O)C)c1ccccc1 62a_100000210202_100009888967 [0,1,1,0,0,0|1,1,0]=4 1236 B13R1.405 CCSC(C(=O)C)c1ccccc1 62a_100009888967_100000210202 [0,1,1,0,0,0|1,1,0]=4 1237 B13R1.532 CCC(=O)C(CC)c1ccccc1 1458a_100000211302_100000210202 [0,1,1,0,0,0|2,0,0]=4 1238 B13R1.532 CCC(=O)[C@H](OC)c1ccccc1 1458a_100000698336_100000210202 [0,1,1,0,0,0|1,0,0]=3 1239 B13R1.532 CCC(C)C(NC)c1ccccc1 2230a_100025702663_200000210301 [0,1,1,0,0,0|2,0,0]=4 1240 B13R1.532 CCC(C)C(N[13CH3])c1ccccc1 2230a_100025702663_200025704644 [0,1,1,0,0,0|2,0,0]=4 1241 B13R1.532 CCC(c1ccccc1)N(C)CC 2230a_100000737450_200000210301 [0,1,1,0,0,0|2,0,0]=4 1242 B13R1.532 CCC(c1ccccc1)N(C)CC 2230a_100000737544_100000210202 [0,1,1,0,0,0|2,0,0]=4 1243 B13R1.532 CCC(c1ccccc1)N(C)CC 269982a_100000737450_200000210301 [0,1,1,0,0,0|2,0,0]=4 1244 B13R1.532 CCC(c1ccccc1)N(C)CC 269982a_100000737544_100000204670 [0,1,1,0,0,0|2,0,0]=4 1245 B13R1.532 CCC(c1ccccc1)N([13CH3])CC 2230a_100000737450_200025704644 [0,1,1,0,0,0|2,0,0]=4 1246 B13R1.532 CCC(c1ccccc1)N([13CH3])CC 269982a_100000737450_200025704644 [0,1,1,0,0,0|2,0,0]=4 1247 B13R1.532 CNC(=O)C(OC)c1ccccc1 34a_100012026080_200000210301 [0,1,1,0,0,0|2,0,0]=4 1248 B13R1.532 CNC(=O)C(O[13CH3])c1ccccc1 34a_100012026080_200025704644 [0,1,1,0,0,0|2,0,0]=4 1249 B13R1.532 CNC(=O)[C@H](OC)c1ccccc1 11a_106832991635_100000698336 [0,1,1,0,0,0|2,0,0]=4 1250 B13R1.532 CNC(=O)[C@H](OC)c1ccccc1 1626a_100102657272_100000698336 [0,1,1,0,0,0|2,0,0]=4 1251 B13R1.532 CNC(=O)[C@H](OC)c1ccccc1 240690a_100102657272_100000698336 [0,1,1,0,0,0|2,0,0]=4 1252 B13R1.532 CNC(=O)[C@H](OC)c1ccccc1 527a_100102657272_100000698336 [0,1,1,0,0,0|2,0,0]=4 1253 B13R1.532 COC(=O)C(OC)c1ccccc1 34a_100138415774_100000185205 [0,1,1,0,0,0|2,0,0]=4 1254 B13R1.532 COC(=O)[C@H](OC)c1ccccc1 34a_100009815907_200000210301 [0,1,1,0,0,0|2,0,0]=4 1255 B13R1.532 COC(=O)[C@H](O[13CH3])c1ccccc1 34a_100009815907_200025704644 [0,1,1,0,0,0|2,0,0]=4 1256 B13R1.532 CO[C@@H](C(=O)CF)c1ccccc1 1458a_100000698336_100015361967 [0,1,1,0,0,0|2,0,0]=4 1257 B13R1.713 C#CC(OC(C)C)c1ccccc1 34a_100011219616_100000210206 [0,1,1,0,0,0|1,0,1]=4 1258 B13R1.713 C#CC(OC(C)C)c1ccccc1 7a_100011219616_100000210206 [0,1,1,0,0,0|1,0,1]=4 1259 B13R1.713 C=CC(OC(C)C)c1ccccc1 34a_100011215659_100000210206 [0,1,1,0,0,0|1,0,1]=4 1260 B13R1.713 C=CC(OC(C)C)c1ccccc1 7a_100011215659_100000210206 [0,1,1,0,0,0|1,0,1]=4 1261 B13R1.713 CC(C)C[C@H](N[13CH3])c1ccccc1 2230a_100016987908_200025704644 [0,1,1,0,0,0|2,0,0]=4 1262 B13R1.713 CC(C)OC(C#N)c1ccccc1 7a_100011217353_100000210206 [0,1,1,0,0,0|2,0,0]=4 1263 B13R1.713 CC(C)OC(CBr)c1ccccc1 7a_100000185958_100000210206 [0,1,1,0,0,0|2,0,0]=4 1264 B13R1.713 CC(C)OC(CN)c1ccccc1 34a_100000210709_100000210206 [0,1,1,0,0,0|2,0,0]=4 1265 B13R1.713 CC(C)O[C@H](CCl)c1ccccc1 34a_100011933945_100000210206 [0,1,1,0,0,0|2,0,0]=4 1266 B13R1.713 CC(C)O[C@H](CCl)c1ccccc1 7a_100011933945_100000210206 [0,1,1,0,0,0|2,0,0]=4 1267 B13R1.713 CCC(NC(C)C)c1ccccc1 2230a_100000737752_100000210206 [0,1,1,0,0,0|2,0,0]=4 1268 B13R1.713 CCC(OC(C)C)c1ccccc1 34a_100000698172_100000210206 [0,1,1,0,0,0|1,0,0]=3 1269 B13R1.713 CCC(OC(C)C)c1ccccc1 7a_100000698172_100000210206 [0,1,1,0,0,0|1,0,0]=3 1270 B13R1.713 CNC(CC(C)C)c1ccccc1 269862a_106832991636_100000211545 [0,1,1,0,0,0|2,0,0]=4 1271 B13R1.713 CN[C@@H](CC(C)C)c1ccccc1 2230a_100016987908_200000210301 [0,1,1,0,0,0|2,0,0]=4 1272 B13R1.11 C#CC(C)O[C@H](C)c1ccccc1 34a_100000761318_200000035995 [0,1,1,0,0,0|1,0,1]=4 1273 B13R1.11 C#C[C@@H](C)OC(C)c1ccccc1 34a_100009815206_100000211855 [0,1,1,0,0,0|1,0,1]=4 1274 B13R1.11 C#C[C@@H](C)OC(C)c1ccccc1 7a_100009815206_100000230085 [0,1,1,0,0,0|1,0,1]=4 1275 B13R1.11 C=CC(C)OC(C)c1ccccc1 34a_100000695699_100000211855 [0,1,1,0,0,0|1,0,1]=4 1276 B13R1.11 CC(C#N)OC(C)c1ccccc1 34a_100011218135_100000211855 [0,1,1,0,0,0|1,0,1]=4 1277 B13R1.11 CC(C#N)O[C@H](C)c1ccccc1 7a_100000761318_100000703298 [0,1,1,0,0,0|1,0,1]=4 1278 B13R1.11 CC(CF)OC(C)c1ccccc1 34a_100016041109_100000211855 [0,1,1,0,0,0|1,0,0]=3 1279 B13R1.11 CC(CF)OC(C)c1ccccc1 7a_100016041109_100000230085 [0,1,1,0,0,0|1,0,0]=3 1280 B13R1.11 CC(CN)OC(C)c1ccccc1 34a_100000210904_100000211855 [0,1,1,0,0,0|1,0,0]=3 1281 B13R1.11 CC(CO)NC(C)c1ccccn1 2230a_100000181244_100012180447 [0,1,1,0,0,0|2,0,0]=4 1282 B13R1.11 CC(CO)NC(C)c1cccnc1 2230a_100000195435_100012180447 [0,1,1,0,0,0|2,0,0]=4 1283 B13R1.11 CC(CO)NC(C)c1ccncc1 2230a_100000181269_100012180447 [0,1,1,0,0,0|2,0,0]=4 1284 B13R1.11 CC(CO)N[C@H](C)c1ccccc1 2230a_100000751104_100012180447 [0,1,1,0,0,0|1,0,0]=3 1285 B13R1.11 CC(CO)O[C@H](C)c1ccccc1 34a_100000761318_100012180447 [0,1,1,0,0,0|0,0,0]=2 1286 B13R1.11 CC(CO)O[C@H](C)c1ccccc1 7a_100000761318_100012180447 [0,1,1,0,0,0|0,0,0]=2 1287 B13R1.11 CC(CO)SC(C)c1ccccc1 62a_100012180447_100000230085 [0,1,1,0,0,0|0,1,0]=3 1288 B13R1.11 CC(N[C@H](C)CF)c1ccccc1 269862a_100102880703_100000185851 [0,1,1,0,0,0|2,0,0]=4 1289 B13R1.11 CC(N[C@H](C)CO)c1ccccc1 2230a_100000737577_100000230085 [0,1,1,0,0,0|1,0,0]=3 1290 B13R1.11 CC(N[C@H](C)CO)c1ccccc1 269862a_100000737577_100000185851 [0,1,1,0,0,0|1,0,0]=3 1291 B13R1.11 CC(N[C@H](C)CO)c1ccccn1 269862a_100000737577_100000210467 [0,1,1,0,0,0|2,0,0]=4 1292 B13R1.11 CC(N[C@H](C)CO)c1cccnc1 269862a_100000737577_100000210468 [0,1,1,0,0,0|2,0,0]=4 1293 B13R1.11 CC(N[C@H](C)CO)c1ccncc1 269862a_100000737577_100000185792 [0,1,1,0,0,0|2,0,0]=4 1294 B13R1.11 CC(S[C@H](C)CO)c1ccccc1 62a_100000230085_100016084084 [0,1,1,0,0,0|0,1,0]=3 1295 B13R1.11 CC(S[C@H](C)CO)c1ccccc1 62a_100016084084_100000230085 [0,1,1,0,0,0|0,1,0]=3 1296 B13R1.11 CCC(C)NC(C)c1ccccc1 2230a_100000209981_100000230085 [0,1,1,0,0,0|2,0,0]=4 1297 B13R1.11 CCC(C)NC(C)c1ccccc1 269862a_100000209981_100000185851 [0,1,1,0,0,0|2,0,0]=4 1298 B13R1.11 CCC(C)N[C@H](C)c1ccccc1 2230a_100000751104_100000758301 [0,1,1,0,0,0|2,0,0]=4 1299 B13R1.11 CCC(C)OC(C)c1ccccc1 7a_100000210228_100000230085 [0,1,1,0,0,0|1,0,0]=3 1300 B13R1.11 CCC(C)O[C@H](C)c1ccccc1 34a_100000761318_100011215416 [0,1,1,0,0,0|1,0,0]=3 1301 B13R1.11 CCC(C)O[C@H](C)c1ccccc1 7a_100000761318_100000758301 [0,1,1,0,0,0|1,0,0]=3 1302 B13R1.11 CCC(C)SC(C)c1ccccc1 62a_100000230085_100000758301 [0,1,1,0,0,0|1,1,0]=4 1303 B13R1.11 CCC(C)SC(C)c1ccccc1 62a_100000758301_100000230085 [0,1,1,0,0,0|1,1,0]=4 1304 B13R1.11 C[C@@H](CO)CC(=O)c1ccccc1 1458a_100000185807_100000059175 [0,1,1,0,0,0|1,0,1]=4 1305 B13R1.11 C[C@@H](CO)CN(C)c1ccccc1 2230a_100000210012_100000059175 [0,1,1,0,0,0|2,0,0]=4 1306 B13R1.11 C[C@@H](CO)CN(C)c1ccccc1 269982a_100000210012_100000059175 [0,1,1,0,0,0|2,0,0]=4 1307 B13R1.11 C[C@@H](CO)CN(C)c1ccccc1 34a_100000210012_100000059175 [0,1,1,0,0,0|2,0,0]=4 1308 B13R1.11 C[C@H](CO)NC(=O)c1ccccc1 240690a_100000737577_100000185807 [0,1,1,0,0,0|1,0,1]=4 1309 B13R1.11 C[C@H](CO)NC(=O)c1ccccc1 527a_100000737577_100000185807 [0,1,1,0,0,0|1,0,1]=4 1310 B13R1.14 C#CC(C)OCc1ccc(cc1)Br 34a_100000695286_200000035995 [0,1,1,0,0,0|1,0,1]=4 1311 B13R1.14 C#CC(C)OCc1ccc(cc1)C 34a_100011215236_200000035995 [0,1,1,0,0,0|1,0,1]=4 1312 B13R1.14 C#CC(C)OCc1ccc(cc1)Cl 34a_100000211118_200000035995 [0,1,1,0,0,0|1,0,1]=4 1313 B13R1.14 C#CC(C)OCc1ccc(cc1)F 34a_100000210977_200000035995 [0,1,1,0,0,0|1,0,1]=4 1314 B13R1.14 C#CC(C)OCc1ccc(cc1)I 34a_100000690907_200000035995 [0,1,1,0,0,0|1,0,1]=4 1315 B13R1.14 C#CC(C)OCc1ccc(cc1)N 34a_100011215238_200000035995 [0,1,1,0,0,0|1,0,1]=4 1316 B13R1.14 C#C[C@@H](C)OCc1ccc(cc1)Br 34a_100009815206_100000189115 [0,1,1,0,0,0|1,0,1]=4 1317 B13R1.14 C#C[C@@H](C)OCc1ccc(cc1)Br 7a_100009815206_100011217064 [0,1,1,0,0,0|1,0,1]=4 1318 B13R1.14 C#C[C@@H](C)OCc1ccc(cc1)C 34a_100009815206_100000210814 [0,1,1,0,0,0|1,0,1]=4 1319 B13R1.14 C#C[C@@H](C)OCc1ccc(cc1)C 7a_100009815206_100000210814 [0,1,1,0,0,0|1,0,1]=4 1320 B13R1.14 C#C[C@@H](C)OCc1ccc(cc1)Cl 34a_100009815206_100000694040 [0,1,1,0,0,0|1,0,1]=4 1321 B13R1.14 C#C[C@@H](C)OCc1ccc(cc1)Cl 7a_100009815206_100000187161 [0,1,1,0,0,0|1,0,1]=4 1322 B13R1.14 C#C[C@@H](C)OCc1ccc(cc1)F 34a_100009815206_100000198546 [0,1,1,0,0,0|1,0,1]=4 1323 B13R1.14 C#C[C@@H](C)OCc1ccc(cc1)F 7a_100009815206_100000198546 [0,1,1,0,0,0|1,0,1]=4 1324 B13R1.14 C#C[C@@H](C)OCc1ccc(cc1)I 34a_100009815206_100000189116 [0,1,1,0,0,0|1,0,1]=4 1325 B13R1.14 C#C[C@@H](C)OCc1ccc(cc1)I 7a_100009815206_100000189116 [0,1,1,0,0,0|1,0,1]=4 1326 B13R1.14 C=CC(C)OCc1ccc(cc1)Br 34a_100000695699_100000189115 [0,1,1,0,0,0|1,0,1]=4 1327 B13R1.14 C=CC(C)OCc1ccc(cc1)C 34a_100000695699_100000210814 [0,1,1,0,0,0|1,0,1]=4 1328 B13R1.14 C=CC(C)OCc1ccc(cc1)Cl 34a_100000695699_100000694040 [0,1,1,0,0,0|1,0,1]=4 1329 B13R1.14 C=CC(C)OCc1ccc(cc1)F 34a_100000695699_100000198546 [0,1,1,0,0,0|1,0,1]=4 1330 B13R1.14 C=CC(C)OCc1ccc(cc1)I 34a_100000695699_100000189116 [0,1,1,0,0,0|1,0,1]=4 1331 B13R1.14 CC(C#N)OCc1ccc(cc1)Br 34a_100011218135_100000189115 [0,1,1,0,0,0|1,0,1]=4 1332 B13R1.14 CC(C#N)OCc1ccc(cc1)Cl 34a_100011218135_100000694040 [0,1,1,0,0,0|1,0,1]=4 1333 B13R1.14 CC(C#N)OCc1ccc(cc1)Cl 7a_100000211118_100000703298 [0,1,1,0,0,0|1,0,1]=4 1334 B13R1.14 CC(C#N)OCc1ccc(cc1)F 34a_100011218135_100000198546 [0,1,1,0,0,0|1,0,1]=4 1335 B13R1.14 CC(C#N)OCc1ccc(cc1)F 7a_100000210977_100000703298 [0,1,1,0,0,0|1,0,1]=4 1336 B13R1.14 CC(C#N)OCc1ccc(cc1)I 34a_100011218135_100000189116 [0,1,1,0,0,0|1,0,1]=4 1337 B13R1.14 CC(C#N)OCc1ccc(cc1)I 7a_100000690907_100000703298 [0,1,1,0,0,0|1,0,1]=4 1338 B13R1.14 CC(CF)OCc1ccc(cc1)Br 34a_100016041109_100000189115 [0,1,1,0,0,0|1,0,0]=3 1339 B13R1.14 CC(CF)OCc1ccc(cc1)Br 7a_100016041109_100011217064 [0,1,1,0,0,0|1,0,0]=3 1340 B13R1.14 CC(CF)OCc1ccc(cc1)Cl 34a_100016041109_100000694040 [0,1,1,0,0,0|1,0,0]=3 1341 B13R1.14 CC(CF)OCc1ccc(cc1)Cl 7a_100016041109_100000187161 [0,1,1,0,0,0|1,0,0]=3 1342 B13R1.14 CC(CF)OCc1ccc(cc1)F 34a_100016041109_100000198546 [0,1,1,0,0,0|1,0,0]=3 1343 B13R1.14 CC(CF)OCc1ccc(cc1)F 7a_100016041109_100000198546 [0,1,1,0,0,0|1,0,0]=3 1344 B13R1.14 CC(CF)OCc1ccc(cc1)I 34a_100016041109_100000189116 [0,1,1,0,0,0|1,0,0]=3 1345 B13R1.14 CC(CF)OCc1ccc(cc1)I 7a_100016041109_100000189116 [0,1,1,0,0,0|1,0,0]=3 1346 B13R1.14 CC(CF)OCc1ccc(cn1)Br 34a_100016041109_100000702658 [0,1,1,0,0,0|2,0,0]=4 1347 B13R1.14 CC(CF)OCc1ccc(cn1)Br 7a_100016041109_100000702658 [0,1,1,0,0,0|2,0,0]=4 1348 B13R1.14 CC(CF)OCc1ccc(cn1)Cl 34a_100016041109_100012066911 [0,1,1,0,0,0|2,0,0]=4 1349 B13R1.14 CC(CF)OCc1ccc(cn1)Cl 7a_100016041109_100012066911 [0,1,1,0,0,0|2,0,0]=4 1350 B13R1.14 CC(CF)OCc1ccc(cn1)F 34a_100016041109_100000703193 [0,1,1,0,0,0|2,0,0]=4 1351 B13R1.14 CC(CF)OCc1ccc(cn1)F 7a_100016041109_100000703193 [0,1,1,0,0,0|2,0,0]=4 1352 B13R1.14 CC(CF)OCc1ccc(nc1)Br 34a_100016041109_100009831999 [0,1,1,0,0,0|2,0,0]=4 1353 B13R1.14 CC(CF)OCc1ccc(nc1)Br 7a_100016041109_100009831999 [0,1,1,0,0,0|2,0,0]=4 1354 B13R1.14 CC(CF)OCc1ccc(nc1)Cl 34a_100016041109_100000735431 [0,1,1,0,0,0|2,0,0]=4 1355 B13R1.14 CC(CF)OCc1ccc(nc1)Cl 7a_100016041109_100000735431 [0,1,1,0,0,0|2,0,0]=4 1356 B13R1.14 CC(CF)OCc1ccc(nc1)F 34a_100016041109_100000099788 [0,1,1,0,0,0|2,0,0]=4 1357 B13R1.14 CC(CF)OCc1ccc(nc1)F 7a_100016041109_100009820150 [0,1,1,0,0,0|2,0,0]=4 1358 B13R1.14 CC(CN)OCc1ccc(cc1)Br 34a_100000210904_100000189115 [0,1,1,0,0,0|1,0,0]=3 1359 B13R1.14 CC(CN)OCc1ccc(cc1)Cl 34a_100000210904_100000694040 [0,1,1,0,0,0|1,0,0]=3 1360 B13R1.14 CC(CN)OCc1ccc(cc1)F 34a_100000210904_100000198546 [0,1,1,0,0,0|1,0,0]=3 1361 B13R1.14 CC(CN)OCc1ccc(cc1)I 34a_100000210904_100000189116 [0,1,1,0,0,0|1,0,0]=3 1362 B13R1.14 CC(CN)OCc1ccc(cn1)Br 34a_100000210904_100000702658 [0,1,1,0,0,0|2,0,0]=4 1363 B13R1.14 CC(CN)OCc1ccc(cn1)Cl 34a_100000210904_100012066911 [0,1,1,0,0,0|2,0,0]=4 1364 B13R1.14 CC(CN)OCc1ccc(cn1)F 34a_100000210904_100000703193 [0,1,1,0,0,0|2,0,0]=4 1365 B13R1.14 CC(CN)OCc1ccc(nc1)Br 34a_100000210904_100009831999 [0,1,1,0,0,0|2,0,0]=4 1366 B13R1.14 CC(CN)OCc1ccc(nc1)Cl 34a_100000210904_100000735431 [0,1,1,0,0,0|2,0,0]=4 1367 B13R1.14 CC(CN)OCc1ccc(nc1)F 34a_100000210904_100000099788 [0,1,1,0,0,0|2,0,0]=4 1368 B13R1.14 CC(CO)NCc1ccc(cc1)Br 2230a_100000174875_100012180447 [0,1,1,0,0,0|1,0,0]=3 1369 B13R1.14 CC(CO)NCc1ccc(cc1)Br 34a_100000174875_100012180447 [0,1,1,0,0,0|1,0,0]=3 1370 B13R1.14 CC(CO)NCc1ccc(cc1)Cl 2230a_100000174871_100012180447 [0,1,1,0,0,0|1,0,0]=3 1371 B13R1.14 CC(CO)NCc1ccc(cc1)Cl 34a_100000174871_100012180447 [0,1,1,0,0,0|1,0,0]=3 1372 B13R1.14 CC(CO)NCc1ccc(cc1)F 2230a_100000174882_100012180447 [0,1,1,0,0,0|1,0,0]=3 1373 B13R1.14 CC(CO)NCc1ccc(cc1)F 34a_100000174882_100012180447 [0,1,1,0,0,0|1,0,0]=3 1374 B13R1.14 CC(CO)NCc1ccc(cc1)I 2230a_100016989417_100012180447 [0,1,1,0,0,0|1,0,0]=3 1375 B13R1.14 CC(CO)NCc1ccc(cc1)I 34a_100016989417_100012180447 [0,1,1,0,0,0|1,0,0]=3 1376 B13R1.14 CC(CO)NCc1ccc(cc1)O 34a_100000185549_100012180447 [0,1,1,0,0,0|1,0,0]=3 1377 B13R1.14 CC(CO)NCc1ccc(cn1)Br 34a_100015188789_100012180447 [0,1,1,0,0,0|2,0,0]=4 1378 B13R1.14 CC(CO)NCc1ccc(cn1)Cl 34a_100000697193_100012180447 [0,1,1,0,0,0|2,0,0]=4 1379 B13R1.14 CC(CO)NCc1ccc(cn1)F 34a_100020620131_100012180447 [0,1,1,0,0,0|2,0,0]=4 1380 B13R1.14 CC(CO)NCc1ccc(nc1)Br 2230a_100009817727_100012180447 [0,1,1,0,0,0|2,0,0]=4 1381 B13R1.14 CC(CO)NCc1ccc(nc1)Br 34a_100009817727_100012180447 [0,1,1,0,0,0|2,0,0]=4 1382 B13R1.14 CC(CO)NCc1ccc(nc1)Cl 2230a_100000735879_100012180447 [0,1,1,0,0,0|2,0,0]=4 1383 B13R1.14 CC(CO)NCc1ccc(nc1)Cl 34a_100000735879_100012180447 [0,1,1,0,0,0|2,0,0]=4 1384 B13R1.14 CC(CO)NCc1ccc(nc1)F 2230a_100000101913_100012180447 [0,1,1,0,0,0|2,0,0]=4 1385 B13R1.14 CC(CO)NCc1ccc(nc1)F 34a_100000101913_100012180447 [0,1,1,0,0,0|2,0,0]=4 1386 B13R1.14 CC(CO)NCc1ccc(nc1)O 2230a_100000757128_100012180447 [0,1,1,0,0,0|2,0,0]=4 1387 B13R1.14 CC(CO)OCc1cc[n+](cc1)C 34a_100009831711_100012180447 [0,1,1,0,0,0|1,0,0]=3 1388 B13R1.14 CC(CO)OCc1cc[n+](cc1)[O-] 34a_100000031831_100012180447 [0,1,1,0,0,0|1,0,0]=3 1389 B13R1.14 CC(CO)OCc1cc[n+](cc1)[O-] 7a_100000031831_100012180447 [0,1,1,0,0,0|1,0,0]=3 1390 B13R1.14 CC(CO)OCc1ccc(=O)[nH]c1 34a_100011999846_100012180447 [0,1,1,0,0,0|1,0,0]=3 1391 B13R1.14 CC(CO)OCc1ccc(cc1)Br 34a_100000695286_100012180447 [0,1,1,0,0,0|0,0,0]=2 1392 B13R1.14 CC(CO)OCc1ccc(cc1)Cl 34a_100000211118_100012180447 [0,1,1,0,0,0|0,0,0]=2 1393 B13R1.14 CC(CO)OCc1ccc(cc1)Cl 7a_100000211118_100012180447 [0,1,1,0,0,0|0,0,0]=2 1394 B13R1.14 CC(CO)OCc1ccc(cc1)F 34a_100000210977_100012180447 [0,1,1,0,0,0|0,0,0]=2 1395 B13R1.14 CC(CO)OCc1ccc(cc1)F 7a_100000210977_100012180447 [0,1,1,0,0,0|0,0,0]=2 1396 B13R1.14 CC(CO)OCc1ccc(cc1)I 34a_100000690907_100012180447 [0,1,1,0,0,0|0,0,0]=2 1397 B13R1.14 CC(CO)OCc1ccc(cc1)I 7a_100000690907_100012180447 [0,1,1,0,0,0|0,0,0]=2 1398 B13R1.14 CC(CO)OCc1ccc(cc1)N 34a_100011215238_100012180447 [0,1,1,0,0,0|0,0,0]=2 1399 B13R1.14 CC(CO)OCc1ccc(cn1)Br 34a_100000754261_100012180447 [0,1,1,0,0,0|1,0,0]=3 1400 B13R1.14 CC(CO)OCc1ccc(cn1)Cl 34a_100000703999_100012180447 [0,1,1,0,0,0|1,0,0]=3 1401 B13R1.14 CC(CO)OCc1ccc(cn1)F 34a_100011999454_100012180447 [0,1,1,0,0,0|1,0,0]=3 1402 B13R1.14 CC(CO)OCc1ccc(cn1)N 34a_100011998161_100012180447 [0,1,1,0,0,0|1,0,0]=3 1403 B13R1.14 CC(CO)OCc1ccc(nc1)Br 34a_100009816760_100012180447 [0,1,1,0,0,0|1,0,0]=3 1404 B13R1.14 CC(CO)OCc1ccc(nc1)Br 7a_100009816760_100012180447 [0,1,1,0,0,0|1,0,0]=3 1405 B13R1.14 CC(CO)OCc1ccc(nc1)Cl 34a_100000755211_100012180447 [0,1,1,0,0,0|1,0,0]=3 1406 B13R1.14 CC(CO)OCc1ccc(nc1)Cl 7a_100000755211_100012180447 [0,1,1,0,0,0|1,0,0]=3 1407 B13R1.14 CC(CO)OCc1ccc(nc1)F 34a_100000079959_100012180447 [0,1,1,0,0,0|1,0,0]=3 1408 B13R1.14 CC(CO)OCc1ccc(nc1)N 34a_100000704267_100012180447 [0,1,1,0,0,0|1,0,0]=3 1409 B13R1.14 CC(CO)OCc1cnc(cn1)Cl 34a_100012002382_100012180447 [0,1,1,0,0,0|2,0,0]=4 1410 B13R1.14 CC(CO)OCc1cnc(nc1)Cl 34a_100009855073_100012180447 [0,1,1,0,0,0|2,0,0]=4 1411 B13R1.14 CC(CO)OCc1cnc(nc1)Cl 7a_100009855073_100012180447 [0,1,1,0,0,0|2,0,0]=4 1412 B13R1.14 CC(CO)SCc1ccc(cc1)Br 62a_100012180447_100000189115 [0,1,1,0,0,0|0,1,0]=3 1413 B13R1.14 CC(CO)SCc1ccc(cc1)Cl 62a_100012180447_100000187161 [0,1,1,0,0,0|0,1,0]=3 1414 B13R1.14 CC(CO)SCc1ccc(cc1)F 62a_100012180447_100000187164 [0,1,1,0,0,0|0,1,0]=3 1415 B13R1.14 CC(CO)SCc1ccc(cc1)I 62a_100012180447_100000189116 [0,1,1,0,0,0|0,1,0]=3 1416 B13R1.14 CC(CO)SCc1ccc(cn1)Br 62a_100012180447_100000702658 [0,1,1,0,0,0|1,1,0]=4 1417 B13R1.14 CC(CO)SCc1ccc(cn1)Cl 62a_100012180447_100000697101 [0,1,1,0,0,0|1,1,0]=4 1418 B13R1.14 CC(CO)SCc1ccc(cn1)F 62a_100012180447_100000703193 [0,1,1,0,0,0|1,1,0]=4 1419 B13R1.14 CC(CO)SCc1ccc(nc1)Br 62a_100012180447_100009831999 [0,1,1,0,0,0|1,1,0]=4 1420 B13R1.14 CC(CO)SCc1ccc(nc1)Cl 62a_100012180447_100000735431 [0,1,1,0,0,0|1,1,0]=4 1421 B13R1.14 CC(CO)SCc1ccc(nc1)F 62a_100012180447_100000099788 [0,1,1,0,0,0|1,1,0]=4 1422 B13R1.14 CCC(C)NCc1ccc(cc1)Br 207a_100000209981_100000186029 [0,1,1,0,0,0|2,0,0]=4 1423 B13R1.14 CCC(C)NCc1ccc(cc1)Br 2230a_100000174875_100000758301 [0,1,1,0,0,0|2,0,0]=4 1424 B13R1.14 CCC(C)NCc1ccc(cc1)Br 2230a_100000209981_100011217064 [0,1,1,0,0,0|2,0,0]=4 1425 B13R1.14 CCC(C)NCc1ccc(cc1)Br 270004a_100000209981_100000186029 [0,1,1,0,0,0|2,0,0]=4 1426 B13R1.14 CCC(C)NCc1ccc(cc1)Br 34a_100000174875_100011215416 [0,1,1,0,0,0|2,0,0]=4 1427 B13R1.14 CCC(C)NCc1ccc(cc1)C 207a_100000209981_100000211033 [0,1,1,0,0,0|2,0,0]=4 1428 B13R1.14 CCC(C)NCc1ccc(cc1)C 2230a_100000174908_100000758301 [0,1,1,0,0,0|2,0,0]=4 1429 B13R1.14 CCC(C)NCc1ccc(cc1)C 2230a_100000209981_100000210814 [0,1,1,0,0,0|2,0,0]=4 1430 B13R1.14 CCC(C)NCc1ccc(cc1)C 270004a_100000209981_100000211033 [0,1,1,0,0,0|2,0,0]=4 1431 B13R1.14 CCC(C)NCc1ccc(cc1)C 34a_100000174908_100011215416 [0,1,1,0,0,0|2,0,0]=4 1432 B13R1.14 CCC(C)NCc1ccc(cc1)Cl 207a_100000209981_100000189385 [0,1,1,0,0,0|2,0,0]=4 1433 B13R1.14 CCC(C)NCc1ccc(cc1)Cl 2230a_100000174871_100000758301 [0,1,1,0,0,0|2,0,0]=4 1434 B13R1.14 CCC(C)NCc1ccc(cc1)Cl 2230a_100000209981_100000694040 [0,1,1,0,0,0|2,0,0]=4 1435 B13R1.14 CCC(C)NCc1ccc(cc1)Cl 270004a_100000209981_100000189385 [0,1,1,0,0,0|2,0,0]=4 1436 B13R1.14 CCC(C)NCc1ccc(cc1)Cl 34a_100000174871_100011215416 [0,1,1,0,0,0|2,0,0]=4 1437 B13R1.14 CCC(C)NCc1ccc(cc1)F 207a_100000209981_100000210084 [0,1,1,0,0,0|2,0,0]=4 1438 B13R1.14 CCC(C)NCc1ccc(cc1)F 2230a_100000174882_100000758301 [0,1,1,0,0,0|2,0,0]=4 1439 B13R1.14 CCC(C)NCc1ccc(cc1)F 2230a_100000209981_100000198546 [0,1,1,0,0,0|2,0,0]=4 1440 B13R1.14 CCC(C)NCc1ccc(cc1)F 270004a_100000209981_100000210084 [0,1,1,0,0,0|2,0,0]=4 1441 B13R1.14 CCC(C)NCc1ccc(cc1)F 34a_100000174882_100011215416 [0,1,1,0,0,0|2,0,0]=4 1442 B13R1.14 CCC(C)NCc1ccc(cc1)I 207a_100000209981_100000188517 [0,1,1,0,0,0|2,0,0]=4 1443 B13R1.14 CCC(C)NCc1ccc(cc1)I 2230a_100000209981_100000189116 [0,1,1,0,0,0|2,0,0]=4 1444 B13R1.14 CCC(C)NCc1ccc(cc1)I 2230a_100016989417_100000758301 [0,1,1,0,0,0|2,0,0]=4 1445 B13R1.14 CCC(C)NCc1ccc(cc1)I 34a_100016989417_100011215416 [0,1,1,0,0,0|2,0,0]=4 1446 B13R1.14 CCC(C)NCc1ccc(cc1)O 271570a_203496583355_100015186513 [0,1,1,0,0,0|2,0,0]=4 1447 B13R1.14 CCC(C)NCc1ccc(cc1)O 34a_100000185549_100011215416 [0,1,1,0,0,0|2,0,0]=4 1448 B13R1.14 CCC(C)OCc1cc[n+](cc1)C 34a_100009831711_100011215416 [0,1,1,0,0,0|2,0,0]=4 1449 B13R1.14 CCC(C)OCc1cc[n+](cc1)[O-] 34a_100000031831_100011215416 [0,1,1,0,0,0|2,0,0]=4 1450 B13R1.14 CCC(C)OCc1cc[n+](cc1)[O-] 7a_100000031831_100000758301 [0,1,1,0,0,0|2,0,0]=4 1451 B13R1.14 CCC(C)OCc1ccc(=O)[nH]c1 34a_100011999846_100011215416 [0,1,1,0,0,0|2,0,0]=4 1452 B13R1.14 CCC(C)OCc1ccc(cc1)Br 34a_100000695286_100011215416 [0,1,1,0,0,0|1,0,0]=3 1453 B13R1.14 CCC(C)OCc1ccc(cc1)Br 7a_100000210228_100011217064 [0,1,1,0,0,0|1,0,0]=3 1454 B13R1.14 CCC(C)OCc1ccc(cc1)C 34a_100011215236_100011215416 [0,1,1,0,0,0|1,0,0]=3 1455 B13R1.14 CCC(C)OCc1ccc(cc1)C 7a_100000210228_100000210814 [0,1,1,0,0,0|1,0,0]=3 1456 B13R1.14 CCC(C)OCc1ccc(cc1)C 7a_100011215236_100000758301 [0,1,1,0,0,0|1,0,0]=3 1457 B13R1.14 CCC(C)OCc1ccc(cc1)Cl 34a_100000211118_100011215416 [0,1,1,0,0,0|1,0,0]=3 1458 B13R1.14 CCC(C)OCc1ccc(cc1)Cl 7a_100000210228_100000187161 [0,1,1,0,0,0|1,0,0]=3 1459 B13R1.14 CCC(C)OCc1ccc(cc1)Cl 7a_100000211118_100000758301 [0,1,1,0,0,0|1,0,0]=3 1460 B13R1.14 CCC(C)OCc1ccc(cc1)F 34a_100000210977_100011215416 [0,1,1,0,0,0|1,0,0]=3 1461 B13R1.14 CCC(C)OCc1ccc(cc1)F 7a_100000210228_100000198546 [0,1,1,0,0,0|1,0,0]=3 1462 B13R1.14 CCC(C)OCc1ccc(cc1)F 7a_100000210977_100000758301 [0,1,1,0,0,0|1,0,0]=3 1463 B13R1.14 CCC(C)OCc1ccc(cc1)I 34a_100000690907_100011215416 [0,1,1,0,0,0|1,0,0]=3 1464 B13R1.14 CCC(C)OCc1ccc(cc1)I 7a_100000210228_100000189116 [0,1,1,0,0,0|1,0,0]=3 1465 B13R1.14 CCC(C)OCc1ccc(cc1)I 7a_100000690907_100000758301 [0,1,1,0,0,0|1,0,0]=3 1466 B13R1.14 CCC(C)OCc1ccc(cc1)N 34a_100011215238_100011215416 [0,1,1,0,0,0|1,0,0]=3 1467 B13R1.14 CCC(C)OCc1ccc(cn1)Br 34a_100000754261_100011215416 [0,1,1,0,0,0|2,0,0]=4 1468 B13R1.14 CCC(C)OCc1ccc(cn1)Br 7a_100000210228_100000702658 [0,1,1,0,0,0|2,0,0]=4 1469 B13R1.14 CCC(C)OCc1ccc(cn1)C 34a_100012001401_100011215416 [0,1,1,0,0,0|2,0,0]=4 1470 B13R1.14 CCC(C)OCc1ccc(cn1)C 7a_100000210228_100000691093 [0,1,1,0,0,0|2,0,0]=4 1471 B13R1.14 CCC(C)OCc1ccc(cn1)Cl 34a_100000703999_100011215416 [0,1,1,0,0,0|2,0,0]=4 1472 B13R1.14 CCC(C)OCc1ccc(cn1)Cl 7a_100000210228_100012066911 [0,1,1,0,0,0|2,0,0]=4 1473 B13R1.14 CCC(C)OCc1ccc(cn1)F 34a_100011999454_100011215416 [0,1,1,0,0,0|2,0,0]=4 1474 B13R1.14 CCC(C)OCc1ccc(cn1)F 7a_100000210228_100000703193 [0,1,1,0,0,0|2,0,0]=4 1475 B13R1.14 CCC(C)OCc1ccc(cn1)N 34a_100011998161_100011215416 [0,1,1,0,0,0|2,0,0]=4 1476 B13R1.14 CCC(C)OCc1ccc(nc1)Br 34a_100009816760_100011215416 [0,1,1,0,0,0|2,0,0]=4 1477 B13R1.14 CCC(C)OCc1ccc(nc1)Br 7a_100000210228_100009831999 [0,1,1,0,0,0|2,0,0]=4 1478 B13R1.14 CCC(C)OCc1ccc(nc1)Br 7a_100009816760_100000758301 [0,1,1,0,0,0|2,0,0]=4 1479 B13R1.14 CCC(C)OCc1ccc(nc1)C 34a_100011248133_100011215416 [0,1,1,0,0,0|2,0,0]=4 1480 B13R1.14 CCC(C)OCc1ccc(nc1)C 7a_100000210228_100016987292 [0,1,1,0,0,0|2,0,0]=4 1481 B13R1.14 CCC(C)OCc1ccc(nc1)Cl 34a_100000755211_100011215416 [0,1,1,0,0,0|2,0,0]=4 1482 B13R1.14 CCC(C)OCc1ccc(nc1)Cl 7a_100000210228_100000735431 [0,1,1,0,0,0|2,0,0]=4 1483 B13R1.14 CCC(C)OCc1ccc(nc1)Cl 7a_100000755211_100000758301 [0,1,1,0,0,0|2,0,0]=4 1484 B13R1.14 CCC(C)OCc1ccc(nc1)F 34a_100000079959_100011215416 [0,1,1,0,0,0|2,0,0]=4 1485 B13R1.14 CCC(C)OCc1ccc(nc1)F 7a_100000210228_100009820150 [0,1,1,0,0,0|2,0,0]=4 1486 B13R1.14 CCC(C)OCc1ccc(nc1)N 34a_100000704267_100011215416 [0,1,1,0,0,0|2,0,0]=4 1487 B13R1.14 CCC(C)SCc1ccc(cc1)Br 62a_100000189115_100000758301 [0,1,1,0,0,0|1,1,0]=4 1488 B13R1.14 CCC(C)SCc1ccc(cc1)Br 62a_100000758301_100000189115 [0,1,1,0,0,0|1,1,0]=4 1489 B13R1.14 CCC(C)SCc1ccc(cc1)C 62a_100000210814_100000758301 [0,1,1,0,0,0|1,1,0]=4 1490 B13R1.14 CCC(C)SCc1ccc(cc1)C 62a_100000758301_100000210814 [0,1,1,0,0,0|1,1,0]=4 1491 B13R1.14 CCC(C)SCc1ccc(cc1)Cl 62a_100000187161_100000758301 [0,1,1,0,0,0|1,1,0]=4 1492 B13R1.14 CCC(C)SCc1ccc(cc1)Cl 62a_100000758301_100000187161 [0,1,1,0,0,0|1,1,0]=4 1493 B13R1.14 CCC(C)SCc1ccc(cc1)F 62a_100000198546_100000758301 [0,1,1,0,0,0|1,1,0]=4 1494 B13R1.14 CCC(C)SCc1ccc(cc1)F 62a_100000758301_100000187164 [0,1,1,0,0,0|1,1,0]=4 1495 B13R1.14 CCC(C)SCc1ccc(cc1)I 62a_100000189116_100000758301 [0,1,1,0,0,0|1,1,0]=4 1496 B13R1.14 CCC(C)SCc1ccc(cc1)I 62a_100000758301_100000189116 [0,1,1,0,0,0|1,1,0]=4 1497 B13R1.14 C[C@@H](CO)CNc1ccc(cc1)Br 2230a_100000210018_100000059175 [0,1,1,0,0,0|2,0,0]=4 1498 B13R1.14 C[C@@H](CO)CNc1ccc(cc1)Br 34a_100000210018_100000059175 [0,1,1,0,0,0|2,0,0]=4 1499 B13R1.14 C[C@@H](CO)CNc1ccc(cc1)Cl 2230a_100000210052_100000059175 [0,1,1,0,0,0|2,0,0]=4 1500 B13R1.14 C[C@@H](CO)CNc1ccc(cc1)Cl 34a_100000210052_100000059175 [0,1,1,0,0,0|2,0,0]=4 1501 B13R1.14 C[C@@H](CO)CNc1ccc(cc1)F 34a_100000185862_100000059175 [0,1,1,0,0,0|2,0,0]=4 1502 B13R1.14 C[C@@H](CO)CNc1ccc(cc1)I 34a_100000185761_100000059175 [0,1,1,0,0,0|2,0,0]=4 1503 B13R1.14 C[C@@H](CO)CNc1ccc(cc1)O 34a_100000185829_100000059175 [0,1,1,0,0,0|2,0,0]=4 1504 B13R1.14 C[C@@H](CO)COc1ccc(cc1)Br 34a_100000185759_100000059175 [0,1,1,0,0,0|2,0,0]=4 1505 B13R1.14 C[C@@H](CO)COc1ccc(cc1)Br 7a_100000185759_100000059175 [0,1,1,0,0,0|2,0,0]=4 1506 B13R1.14 C[C@@H](CO)COc1ccc(cc1)Cl 34a_100000210216_100000059175 [0,1,1,0,0,0|2,0,0]=4 1507 B13R1.14 C[C@@H](CO)COc1ccc(cc1)Cl 7a_100000210216_100000059175 [0,1,1,0,0,0|2,0,0]=4 1508 B13R1.14 C[C@@H](CO)COc1ccc(cc1)F 34a_100000210339_100000059175 [0,1,1,0,0,0|2,0,0]=4 1509 B13R1.14 C[C@@H](CO)COc1ccc(cc1)I 34a_100000212066_100000059175 [0,1,1,0,0,0|2,0,0]=4 1510 B13R1.14 C[C@@H](CO)COc1ccc(cc1)I 7a_100000212066_100000059175 [0,1,1,0,0,0|2,0,0]=4 1511 B13R1.14 C[C@@H](CO)COc1ccc(cc1)N 34a_100000185829_100000059175 [0,1,1,0,0,0|2,0,0]=4 1512 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)Br 62a_100000059175_100000752885 [0,1,1,0,0,0|2,0,0]=4 1513 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)Br 62a_100000752885_100000059175 [0,1,1,0,0,0|2,0,0]=4 1514 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)Cl 62a_100000059175_100000755918 [0,1,1,0,0,0|2,0,0]=4 1515 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)Cl 62a_100000755918_100000059175 [0,1,1,0,0,0|2,0,0]=4 1516 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)F 62a_100000059175_100000211213 [0,1,1,0,0,0|2,0,0]=4 1517 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)F 62a_100000211213_100000059175 [0,1,1,0,0,0|2,0,0]=4 1518 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)N 62a_100000059175_100000185761 [0,1,1,0,0,0|2,0,0]=4 1519 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)N 62a_100000185761_100000059175 [0,1,1,0,0,0|2,0,0]=4 1520 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)O 62a_100000059175_100000185759 [0,1,1,0,0,0|2,0,0]=4 1521 B13R1.14 C[C@H](CF)NCc1ccc(cc1)Br 207a_100102880703_100000186029 [0,1,1,0,0,0|2,0,0]=4 1522 B13R1.14 C[C@H](CF)NCc1ccc(cc1)Br 270004a_100102880703_100000186029 [0,1,1,0,0,0|2,0,0]=4 1523 B13R1.14 C[C@H](CF)NCc1ccc(cc1)Cl 207a_100102880703_100000189385 [0,1,1,0,0,0|2,0,0]=4 1524 B13R1.14 C[C@H](CF)NCc1ccc(cc1)Cl 270004a_100102880703_100000189385 [0,1,1,0,0,0|2,0,0]=4 1525 B13R1.14 C[C@H](CF)NCc1ccc(cc1)F 207a_100102880703_100000210084 [0,1,1,0,0,0|2,0,0]=4 1526 B13R1.14 C[C@H](CF)NCc1ccc(cc1)F 270004a_100102880703_100000210084 [0,1,1,0,0,0|2,0,0]=4 1527 B13R1.14 C[C@H](CF)NCc1ccc(cc1)I 207a_100102880703_100000188517 [0,1,1,0,0,0|2,0,0]=4 1528 B13R1.14 C[C@H](CO)NCc1ccc(cc1)Br 207a_100000737577_100000186029 [0,1,1,0,0,0|1,0,0]=3 1529 B13R1.14 C[C@H](CO)NCc1ccc(cc1)Br 2230a_100000737577_100011217064 [0,1,1,0,0,0|1,0,0]=3 1530 B13R1.14 C[C@H](CO)NCc1ccc(cc1)Br 270004a_100000737577_100000186029 [0,1,1,0,0,0|1,0,0]=3 1531 B13R1.14 C[C@H](CO)NCc1ccc(cc1)Cl 207a_100000737577_100000189385 [0,1,1,0,0,0|1,0,0]=3 1532 B13R1.14 C[C@H](CO)NCc1ccc(cc1)Cl 2230a_100000737577_100000694040 [0,1,1,0,0,0|1,0,0]=3 1533 B13R1.14 C[C@H](CO)NCc1ccc(cc1)Cl 270004a_100000737577_100000189385 [0,1,1,0,0,0|1,0,0]=3 1534 B13R1.14 C[C@H](CO)NCc1ccc(cc1)F 207a_100000737577_100000210084 [0,1,1,0,0,0|1,0,0]=3 1535 B13R1.14 C[C@H](CO)NCc1ccc(cc1)F 2230a_100000737577_100000198546 [0,1,1,0,0,0|1,0,0]=3 1536 B13R1.14 C[C@H](CO)NCc1ccc(cc1)F 270004a_100000737577_100000210084 [0,1,1,0,0,0|1,0,0]=3 1537 B13R1.14 C[C@H](CO)NCc1ccc(cc1)I 207a_100000737577_100000188517 [0,1,1,0,0,0|1,0,0]=3 1538 B13R1.14 C[C@H](CO)NCc1ccc(cc1)I 2230a_100000737577_100000189116 [0,1,1,0,0,0|1,0,0]=3 1539 B13R1.14 C[C@H](CO)NCc1ccc(cn1)Br 207a_100000737577_100000754260 [0,1,1,0,0,0|2,0,0]=4 1540 B13R1.14 C[C@H](CO)NCc1ccc(cn1)Br 2230a_100000737577_100000702658 [0,1,1,0,0,0|2,0,0]=4 1541 B13R1.14 C[C@H](CO)NCc1ccc(cn1)Br 270004a_100000737577_100000754260 [0,1,1,0,0,0|2,0,0]=4 1542 B13R1.14 C[C@H](CO)NCc1ccc(cn1)Cl 207a_100000737577_100011361569 [0,1,1,0,0,0|2,0,0]=4 1543 B13R1.14 C[C@H](CO)NCc1ccc(cn1)Cl 2230a_100000737577_100012066911 [0,1,1,0,0,0|2,0,0]=4 1544 B13R1.14 C[C@H](CO)NCc1ccc(cn1)Cl 270004a_100000737577_100011361569 [0,1,1,0,0,0|2,0,0]=4 1545 B13R1.14 C[C@H](CO)NCc1ccc(cn1)F 207a_100000737577_100011934744 [0,1,1,0,0,0|2,0,0]=4 1546 B13R1.14 C[C@H](CO)NCc1ccc(cn1)F 2230a_100000737577_100000703193 [0,1,1,0,0,0|2,0,0]=4 1547 B13R1.14 C[C@H](CO)NCc1ccc(cn1)F 270004a_100000737577_100011934744 [0,1,1,0,0,0|2,0,0]=4 1548 B13R1.14 C[C@H](CO)NCc1ccc(nc1)Br 2230a_100000737577_100009831999 [0,1,1,0,0,0|2,0,0]=4 1549 B13R1.14 C[C@H](CO)NCc1ccc(nc1)Cl 2230a_100000737577_100000735431 [0,1,1,0,0,0|2,0,0]=4 1550 B13R1.14 C[C@H](CO)NCc1ccc(nc1)F 2230a_100000737577_100009820150 [0,1,1,0,0,0|2,0,0]=4 1551 B13R1.14 C[C@H](CO)NCc1ccc(nc1)O 207a_100000737577_100011361521 [0,1,1,0,0,0|2,0,0]=4 1552 B13R1.14 C[C@H](CO)SCc1ccc(cc1)Br 62a_100000189115_100016084084 [0,1,1,0,0,0|0,1,0]=3 1553 B13R1.14 C[C@H](CO)SCc1ccc(cc1)Br 62a_100016084084_100000189115 [0,1,1,0,0,0|0,1,0]=3 1554 B13R1.14 C[C@H](CO)SCc1ccc(cc1)Cl 62a_100000187161_100016084084 [0,1,1,0,0,0|0,1,0]=3 1555 B13R1.14 C[C@H](CO)SCc1ccc(cc1)Cl 62a_100016084084_100000187161 [0,1,1,0,0,0|0,1,0]=3 1556 B13R1.14 C[C@H](CO)SCc1ccc(cc1)F 62a_100000198546_100016084084 [0,1,1,0,0,0|0,1,0]=3 1557 B13R1.14 C[C@H](CO)SCc1ccc(cc1)F 62a_100016084084_100000187164 [0,1,1,0,0,0|0,1,0]=3 1558 B13R1.14 C[C@H](CO)SCc1ccc(cc1)I 62a_100000189116_100016084084 [0,1,1,0,0,0|0,1,0]=3 1559 B13R1.14 C[C@H](CO)SCc1ccc(cc1)I 62a_100016084084_100000189116 [0,1,1,0,0,0|0,1,0]=3 1560 B13R1.14 C[C@H](CO)SCc1ccc(cn1)Br 62a_100000702658_100016084084 [0,1,1,0,0,0|1,1,0]=4 1561 B13R1.14 C[C@H](CO)SCc1ccc(cn1)Br 62a_100016084084_100000702658 [0,1,1,0,0,0|1,1,0]=4 1562 B13R1.14 C[C@H](CO)SCc1ccc(cn1)Cl 62a_100012066911_100016084084 [0,1,1,0,0,0|1,1,0]=4 1563 B13R1.14 C[C@H](CO)SCc1ccc(cn1)Cl 62a_100016084084_100000697101 [0,1,1,0,0,0|1,1,0]=4 1564 B13R1.14 C[C@H](CO)SCc1ccc(cn1)F 62a_100000703193_100016084084 [0,1,1,0,0,0|1,1,0]=4 1565 B13R1.14 C[C@H](CO)SCc1ccc(cn1)F 62a_100016084084_100000703193 [0,1,1,0,0,0|1,1,0]=4 1566 B13R1.14 C[C@H](CO)SCc1ccc(nc1)Br 62a_100009831999_100016084084 [0,1,1,0,0,0|1,1,0]=4 1567 B13R1.14 C[C@H](CO)SCc1ccc(nc1)Br 62a_100016084084_100009831999 [0,1,1,0,0,0|1,1,0]=4 1568 B13R1.14 C[C@H](CO)SCc1ccc(nc1)Cl 62a_100000735431_100016084084 [0,1,1,0,0,0|1,1,0]=4 1569 B13R1.14 C[C@H](CO)SCc1ccc(nc1)Cl 62a_100016084084_100000735431 [0,1,1,0,0,0|1,1,0]=4 1570 B13R1.14 C[C@H](CO)SCc1ccc(nc1)F 62a_100009820150_100016084084 [0,1,1,0,0,0|1,1,0]=4 1571 B13R1.14 C[C@H](CO)SCc1ccc(nc1)F 62a_100016084084_100000099788 [0,1,1,0,0,0|1,1,0]=4 1572 B13R1.14 Cc1ccc(cc1)CNC(C)CO 2230a_100000174908_100012180447 [0,1,1,0,0,0|1,0,0]=3 1573 B13R1.14 Cc1ccc(cc1)CNC(C)CO 34a_100000174908_100012180447 [0,1,1,0,0,0|1,0,0]=3 1574 B13R1.14 Cc1ccc(cc1)CN[C@H](C)CF 207a_100102880703_100000211033 [0,1,1,0,0,0|2,0,0]=4 1575 B13R1.14 Cc1ccc(cc1)CN[C@H](C)CF 270004a_100102880703_100000211033 [0,1,1,0,0,0|2,0,0]=4 1576 B13R1.14 Cc1ccc(cc1)CN[C@H](C)CO 207a_100000737577_100000211033 [0,1,1,0,0,0|1,0,0]=3 1577 B13R1.14 Cc1ccc(cc1)CN[C@H](C)CO 2230a_100000737577_100000210814 [0,1,1,0,0,0|1,0,0]=3 1578 B13R1.14 Cc1ccc(cc1)CN[C@H](C)CO 270004a_100000737577_100000211033 [0,1,1,0,0,0|1,0,0]=3 1579 B13R1.14 Cc1ccc(cc1)COC(C)C#N 34a_100011218135_100000210814 [0,1,1,0,0,0|1,0,1]=4 1580 B13R1.14 Cc1ccc(cc1)COC(C)C#N 7a_100011215236_100000703298 [0,1,1,0,0,0|1,0,1]=4 1581 B13R1.14 Cc1ccc(cc1)COC(C)CF 34a_100016041109_100000210814 [0,1,1,0,0,0|1,0,0]=3 1582 B13R1.14 Cc1ccc(cc1)COC(C)CF 7a_100016041109_100000210814 [0,1,1,0,0,0|1,0,0]=3 1583 B13R1.14 Cc1ccc(cc1)COC(C)CN 34a_100000210904_100000210814 [0,1,1,0,0,0|1,0,0]=3 1584 B13R1.14 Cc1ccc(cc1)COC(C)CO 34a_100011215236_100012180447 [0,1,1,0,0,0|0,0,0]=2 1585 B13R1.14 Cc1ccc(cc1)COC(C)CO 7a_100011215236_100012180447 [0,1,1,0,0,0|0,0,0]=2 1586 B13R1.14 Cc1ccc(cc1)CSC(C)CO 62a_100012180447_100000210814 [0,1,1,0,0,0|0,1,0]=3 1587 B13R1.14 Cc1ccc(cc1)CS[C@H](C)CO 62a_100000210814_100016084084 [0,1,1,0,0,0|0,1,0]=3 1588 B13R1.14 Cc1ccc(cc1)CS[C@H](C)CO 62a_100016084084_100000210814 [0,1,1,0,0,0|0,1,0]=3 1589 B13R1.14 Cc1ccc(cc1)NC[C@@H](C)CO 34a_100000124888_100000059175 [0,1,1,0,0,0|2,0,0]=4 1590 B13R1.14 Cc1ccc(cc1)OC[C@@H](C)CO 34a_100000210336_100000059175 [0,1,1,0,0,0|2,0,0]=4 1591 B13R1.14 Cc1ccc(cc1)OC[C@@H](C)CO 7a_100000210336_100000059175 [0,1,1,0,0,0|2,0,0]=4 1592 B13R1.14 Cc1ccc(cc1)SC[C@@H](C)CO 62a_100000059175_100000186775 [0,1,1,0,0,0|2,0,0]=4 1593 B13R1.14 Cc1ccc(cc1)SC[C@@H](C)CO 62a_100000186775_100000059175 [0,1,1,0,0,0|2,0,0]=4 1594 B13R1.14 Cc1ccc(cn1)CNC(C)CO 34a_100000740942_100012180447 [0,1,1,0,0,0|2,0,0]=4 1595 B13R1.14 Cc1ccc(cn1)CN[C@H](C)CO 2230a_100000737577_100016987292 [0,1,1,0,0,0|2,0,0]=4 1596 B13R1.14 Cc1ccc(cn1)CN[C@H](C)CO 270004a_100000737577_100000743784 [0,1,1,0,0,0|2,0,0]=4 1597 B13R1.14 Cc1ccc(cn1)COC(C)CF 34a_100016041109_100016987292 [0,1,1,0,0,0|2,0,0]=4 1598 B13R1.14 Cc1ccc(cn1)COC(C)CF 7a_100016041109_100016987292 [0,1,1,0,0,0|2,0,0]=4 1599 B13R1.14 Cc1ccc(cn1)COC(C)CN 34a_100000210904_100016987292 [0,1,1,0,0,0|2,0,0]=4 1600 B13R1.14 Cc1ccc(cn1)COC(C)CO 34a_100011248133_100012180447 [0,1,1,0,0,0|1,0,0]=3 1601 B13R1.14 Cc1ccc(cn1)CSC(C)CO 62a_100012180447_100016987292 [0,1,1,0,0,0|1,1,0]=4 1602 B13R1.14 Cc1ccc(cn1)CS[C@H](C)CO 62a_100016084084_100016987292 [0,1,1,0,0,0|1,1,0]=4 1603 B13R1.14 Cc1ccc(cn1)CS[C@H](C)CO 62a_100016987292_100016084084 [0,1,1,0,0,0|1,1,0]=4 1604 B13R1.14 Cc1ccc(nc1)CNC(C)CO 34a_100015187455_100012180447 [0,1,1,0,0,0|2,0,0]=4 1605 B13R1.14 Cc1ccc(nc1)CN[C@H](C)CO 207a_100000737577_100000050478 [0,1,1,0,0,0|2,0,0]=4 1606 B13R1.14 Cc1ccc(nc1)CN[C@H](C)CO 2230a_100000737577_100000691093 [0,1,1,0,0,0|2,0,0]=4 1607 B13R1.14 Cc1ccc(nc1)CN[C@H](C)CO 270004a_100000737577_100000050478 [0,1,1,0,0,0|2,0,0]=4 1608 B13R1.14 Cc1ccc(nc1)COC(C)CF 34a_100016041109_100000691093 [0,1,1,0,0,0|2,0,0]=4 1609 B13R1.14 Cc1ccc(nc1)COC(C)CF 7a_100016041109_100000691093 [0,1,1,0,0,0|2,0,0]=4 1610 B13R1.14 Cc1ccc(nc1)COC(C)CN 34a_100000210904_100000691093 [0,1,1,0,0,0|2,0,0]=4 1611 B13R1.14 Cc1ccc(nc1)COC(C)CO 34a_100012001401_100012180447 [0,1,1,0,0,0|1,0,0]=3 1612 B13R1.14 Cc1ccc(nc1)CSC(C)CO 62a_100012180447_100000691093 [0,1,1,0,0,0|1,1,0]=4 1613 B13R1.14 Cc1ccc(nc1)CS[C@H](C)CO 62a_100000691093_100016084084 [0,1,1,0,0,0|1,1,0]=4 1614 B13R1.14 Cc1ccc(nc1)CS[C@H](C)CO 62a_100016084084_100000691093 [0,1,1,0,0,0|1,1,0]=4 1615 B13R1.14 Cc1cnc(cn1)COC(C)CO 34a_100011273949_100012180447 [0,1,1,0,0,0|2,0,0]=4 1616 B13R1.14 Cc1ncc(cn1)COC(C)CO 34a_100011746891_100012180447 [0,1,1,0,0,0|2,0,0]=4 1617 B13R1.15 C#CC(C)OCc1cccc(c1)Br 34a_100000687537_200000035995 [0,1,1,0,0,0|1,0,1]=4 1618 B13R1.15 C#CC(C)OCc1cccc(c1)C 34a_100011217746_200000035995 [0,1,1,0,0,0|1,0,1]=4 1619 B13R1.15 C#CC(C)OCc1cccc(c1)Cl 34a_100000241301_200000035995 [0,1,1,0,0,0|1,0,1]=4 1620 B13R1.15 C#CC(C)OCc1cccc(c1)F 34a_100000210976_200000035995 [0,1,1,0,0,0|1,0,1]=4 1621 B13R1.15 C#CC(C)OCc1cccc(c1)I 34a_100011215336_200000035995 [0,1,1,0,0,0|1,0,1]=4 1622 B13R1.15 C#CC(C)OCc1cccc(c1)N 34a_100000211919_200000035995 [0,1,1,0,0,0|1,0,1]=4 1623 B13R1.15 C#C[C@@H](C)OCc1cccc(c1)Br 34a_100009815206_100000698116 [0,1,1,0,0,0|1,0,1]=4 1624 B13R1.15 C#C[C@@H](C)OCc1cccc(c1)Br 7a_100009815206_100000211773 [0,1,1,0,0,0|1,0,1]=4 1625 B13R1.15 C#C[C@@H](C)OCc1cccc(c1)C 34a_100009815206_100000211840 [0,1,1,0,0,0|1,0,1]=4 1626 B13R1.15 C#C[C@@H](C)OCc1cccc(c1)C 7a_100009815206_100000211840 [0,1,1,0,0,0|1,0,1]=4 1627 B13R1.15 C#C[C@@H](C)OCc1cccc(c1)Cl 34a_100009815206_100000187163 [0,1,1,0,0,0|1,0,1]=4 1628 B13R1.15 C#C[C@@H](C)OCc1cccc(c1)Cl 7a_100009815206_100000187163 [0,1,1,0,0,0|1,0,1]=4 1629 B13R1.15 C#C[C@@H](C)OCc1cccc(c1)F 34a_100009815206_100000187166 [0,1,1,0,0,0|1,0,1]=4 1630 B13R1.15 C#C[C@@H](C)OCc1cccc(c1)F 7a_100009815206_100000230114 [0,1,1,0,0,0|1,0,1]=4 1631 B13R1.15 C#C[C@@H](C)OCc1cccc(c1)I 34a_100009815206_100011218688 [0,1,1,0,0,0|1,0,1]=4 1632 B13R1.15 C#C[C@@H](C)OCc1cccc(c1)I 7a_100009815206_100011218688 [0,1,1,0,0,0|1,0,1]=4 1633 B13R1.15 C#C[C@@H](C)OCc1cccc(c1)O 34a_100009815206_100011660834 [0,1,1,0,0,0|1,0,1]=4 1634 B13R1.15 C#C[C@@H](C)OCc1cccc(c1)O 7a_100009815206_100000084143 [0,1,1,0,0,0|1,0,1]=4 1635 B13R1.15 C=CC(C)OCc1cccc(c1)Br 34a_100000695699_100000698116 [0,1,1,0,0,0|1,0,1]=4 1636 B13R1.15 C=CC(C)OCc1cccc(c1)C 34a_100000695699_100000211840 [0,1,1,0,0,0|1,0,1]=4 1637 B13R1.15 C=CC(C)OCc1cccc(c1)Cl 34a_100000695699_100000187163 [0,1,1,0,0,0|1,0,1]=4 1638 B13R1.15 C=CC(C)OCc1cccc(c1)F 34a_100000695699_100000187166 [0,1,1,0,0,0|1,0,1]=4 1639 B13R1.15 C=CC(C)OCc1cccc(c1)I 34a_100000695699_100011218688 [0,1,1,0,0,0|1,0,1]=4 1640 B13R1.15 C=CC(C)OCc1cccc(c1)O 34a_100000695699_100011660834 [0,1,1,0,0,0|1,0,1]=4 1641 B13R1.15 CC(C#N)OCc1cccc(c1)Br 34a_100011218135_100000698116 [0,1,1,0,0,0|1,0,1]=4 1642 B13R1.15 CC(C#N)OCc1cccc(c1)Br 7a_100000687537_100000703298 [0,1,1,0,0,0|1,0,1]=4 1643 B13R1.15 CC(C#N)OCc1cccc(c1)Cl 34a_100011218135_100000187163 [0,1,1,0,0,0|1,0,1]=4 1644 B13R1.15 CC(C#N)OCc1cccc(c1)Cl 7a_100000241301_100000703298 [0,1,1,0,0,0|1,0,1]=4 1645 B13R1.15 CC(C#N)OCc1cccc(c1)F 34a_100011218135_100000187166 [0,1,1,0,0,0|1,0,1]=4 1646 B13R1.15 CC(C#N)OCc1cccc(c1)F 7a_100000210976_100000703298 [0,1,1,0,0,0|1,0,1]=4 1647 B13R1.15 CC(C#N)OCc1cccc(c1)I 34a_100011218135_100011218688 [0,1,1,0,0,0|1,0,1]=4 1648 B13R1.15 CC(C#N)OCc1cccc(c1)I 7a_100011215336_100000703298 [0,1,1,0,0,0|1,0,1]=4 1649 B13R1.15 CC(C#N)OCc1cccc(c1)O 34a_100011218135_100011660834 [0,1,1,0,0,0|1,0,1]=4 1650 B13R1.15 CC(CF)OCc1cc(ccn1)Br 34a_100016041109_100010173614 [0,1,1,0,0,0|2,0,0]=4 1651 B13R1.15 CC(CF)OCc1cc(ccn1)Br 7a_100016041109_100010173614 [0,1,1,0,0,0|2,0,0]=4 1652 B13R1.15 CC(CF)OCc1cc(ccn1)Cl 34a_100016041109_100016988179 [0,1,1,0,0,0|2,0,0]=4 1653 B13R1.15 CC(CF)OCc1cc(ccn1)Cl 7a_100016041109_100016988179 [0,1,1,0,0,0|2,0,0]=4 1654 B13R1.15 CC(CF)OCc1cccc(c1)Br 34a_100016041109_100000698116 [0,1,1,0,0,0|1,0,0]=3 1655 B13R1.15 CC(CF)OCc1cccc(c1)Br 7a_100016041109_100000211773 [0,1,1,0,0,0|1,0,0]=3 1656 B13R1.15 CC(CF)OCc1cccc(c1)Cl 34a_100016041109_100000187163 [0,1,1,0,0,0|1,0,0]=3 1657 B13R1.15 CC(CF)OCc1cccc(c1)Cl 7a_100016041109_100000187163 [0,1,1,0,0,0|1,0,0]=3 1658 B13R1.15 CC(CF)OCc1cccc(c1)F 34a_100016041109_100000187166 [0,1,1,0,0,0|1,0,0]=3 1659 B13R1.15 CC(CF)OCc1cccc(c1)F 7a_100016041109_100000230114 [0,1,1,0,0,0|1,0,0]=3 1660 B13R1.15 CC(CF)OCc1cccc(c1)I 34a_100016041109_100011218688 [0,1,1,0,0,0|1,0,0]=3 1661 B13R1.15 CC(CF)OCc1cccc(c1)I 7a_100016041109_100011218688 [0,1,1,0,0,0|1,0,0]=3 1662 B13R1.15 CC(CF)OCc1cccc(c1)O 34a_100016041109_100011660834 [0,1,1,0,0,0|1,0,0]=3 1663 B13R1.15 CC(CF)OCc1cccc(c1)O 7a_100016041109_100000084143 [0,1,1,0,0,0|1,0,0]=3 1664 B13R1.15 CC(CF)OCc1cccc(n1)Br 34a_100016041109_100009889011 [0,1,1,0,0,0|2,0,0]=4 1665 B13R1.15 CC(CF)OCc1cccc(n1)Br 7a_100016041109_100009889011 [0,1,1,0,0,0|2,0,0]=4 1666 B13R1.15 CC(CF)OCc1cccc(n1)Cl 34a_100016041109_100000086093 [0,1,1,0,0,0|2,0,0]=4 1667 B13R1.15 CC(CF)OCc1cccc(n1)Cl 7a_100016041109_100000086093 [0,1,1,0,0,0|2,0,0]=4 1668 B13R1.15 CC(CF)OCc1cccc(n1)F 34a_100016041109_100009819644 [0,1,1,0,0,0|2,0,0]=4 1669 B13R1.15 CC(CF)OCc1cccc(n1)F 7a_100016041109_100009819644 [0,1,1,0,0,0|2,0,0]=4 1670 B13R1.15 CC(CF)OCc1ccnc(c1)Br 34a_100016041109_100010243470 [0,1,1,0,0,0|2,0,0]=4 1671 B13R1.15 CC(CF)OCc1ccnc(c1)Br 7a_100016041109_100010254460 [0,1,1,0,0,0|2,0,0]=4 1672 B13R1.15 CC(CF)OCc1ccnc(c1)Cl 34a_100016041109_100000764220 [0,1,1,0,0,0|2,0,0]=4 1673 B13R1.15 CC(CF)OCc1ccnc(c1)Cl 7a_100016041109_100000764220 [0,1,1,0,0,0|2,0,0]=4 1674 B13R1.15 CC(CF)OCc1cncc(c1)Br 34a_100016041109_100000738771 [0,1,1,0,0,0|2,0,0]=4 1675 B13R1.15 CC(CF)OCc1cncc(c1)Br 7a_100016041109_100000738771 [0,1,1,0,0,0|2,0,0]=4 1676 B13R1.15 CC(CF)OCc1cncc(c1)Cl 34a_100016041109_100016992070 [0,1,1,0,0,0|2,0,0]=4 1677 B13R1.15 CC(CF)OCc1cncc(c1)Cl 7a_100016041109_100016992070 [0,1,1,0,0,0|2,0,0]=4 1678 B13R1.15 CC(CF)OCc1cncc(c1)F 34a_100016041109_100000725299 [0,1,1,0,0,0|2,0,0]=4 1679 B13R1.15 CC(CF)OCc1cncc(c1)F 7a_100016041109_100000725299 [0,1,1,0,0,0|2,0,0]=4 1680 B13R1.15 CC(CN)OCc1cc(ccn1)Br 34a_100000210904_100010173614 [0,1,1,0,0,0|2,0,0]=4 1681 B13R1.15 CC(CN)OCc1cc(ccn1)Cl 34a_100000210904_100016988179 [0,1,1,0,0,0|2,0,0]=4 1682 B13R1.15 CC(CN)OCc1cccc(c1)Br 34a_100000210904_100000698116 [0,1,1,0,0,0|1,0,0]=3 1683 B13R1.15 CC(CN)OCc1cccc(c1)Cl 34a_100000210904_100000187163 [0,1,1,0,0,0|1,0,0]=3 1684 B13R1.15 CC(CN)OCc1cccc(c1)F 34a_100000210904_100000187166 [0,1,1,0,0,0|1,0,0]=3 1685 B13R1.15 CC(CN)OCc1cccc(c1)I 34a_100000210904_100011218688 [0,1,1,0,0,0|1,0,0]=3 1686 B13R1.15 CC(CN)OCc1cccc(c1)O 34a_100000210904_100011660834 [0,1,1,0,0,0|1,0,0]=3 1687 B13R1.15 CC(CN)OCc1cccc(n1)Br 34a_100000210904_100009889011 [0,1,1,0,0,0|2,0,0]=4 1688 B13R1.15 CC(CN)OCc1cccc(n1)Cl 34a_100000210904_100000086093 [0,1,1,0,0,0|2,0,0]=4 1689 B13R1.15 CC(CN)OCc1cccc(n1)F 34a_100000210904_100009819644 [0,1,1,0,0,0|2,0,0]=4 1690 B13R1.15 CC(CN)OCc1ccnc(c1)Br 34a_100000210904_100010243470 [0,1,1,0,0,0|2,0,0]=4 1691 B13R1.15 CC(CN)OCc1ccnc(c1)Cl 34a_100000210904_100000764220 [0,1,1,0,0,0|2,0,0]=4 1692 B13R1.15 CC(CN)OCc1cncc(c1)Br 34a_100000210904_100000738771 [0,1,1,0,0,0|2,0,0]=4 1693 B13R1.15 CC(CN)OCc1cncc(c1)Cl 34a_100000210904_100016992070 [0,1,1,0,0,0|2,0,0]=4 1694 B13R1.15 CC(CN)OCc1cncc(c1)F 34a_100000210904_100000725299 [0,1,1,0,0,0|2,0,0]=4 1695 B13R1.15 CC(CO)NCc1cccc(=O)[nH]1 2230a_100000696482_100012180447 [0,1,1,0,0,0|2,0,0]=4 1696 B13R1.15 CC(CO)NCc1cccc(c1)Br 2230a_100000174977_100012180447 [0,1,1,0,0,0|1,0,0]=3 1697 B13R1.15 CC(CO)NCc1cccc(c1)Br 34a_100000174977_100012180447 [0,1,1,0,0,0|1,0,0]=3 1698 B13R1.15 CC(CO)NCc1cccc(c1)Cl 2230a_100000174878_100012180447 [0,1,1,0,0,0|1,0,0]=3 1699 B13R1.15 CC(CO)NCc1cccc(c1)Cl 34a_100000174878_100012180447 [0,1,1,0,0,0|1,0,0]=3 1700 B13R1.15 CC(CO)NCc1cccc(c1)F 2230a_100000174948_100012180447 [0,1,1,0,0,0|1,0,0]=3 1701 B13R1.15 CC(CO)NCc1cccc(c1)F 34a_100000174948_100012180447 [0,1,1,0,0,0|1,0,0]=3 1702 B13R1.15 CC(CO)NCc1cccc(c1)I 2230a_100000106179_100012180447 [0,1,1,0,0,0|1,0,0]=3 1703 B13R1.15 CC(CO)NCc1cccc(c1)I 34a_100000106179_100012180447 [0,1,1,0,0,0|1,0,0]=3 1704 B13R1.15 CC(CO)NCc1cccc(c1)O 2230a_100000743036_100012180447 [0,1,1,0,0,0|1,0,0]=3 1705 B13R1.15 CC(CO)NCc1cccc(c1)O 34a_100000743036_100012180447 [0,1,1,0,0,0|1,0,0]=3 1706 B13R1.15 CC(CO)NCc1cccc(n1)Br 2230a_100016987751_100012180447 [0,1,1,0,0,0|2,0,0]=4 1707 B13R1.15 CC(CO)NCc1cccc(n1)Cl 2230a_100016990191_100012180447 [0,1,1,0,0,0|2,0,0]=4 1708 B13R1.15 CC(CO)NCc1cccc(n1)F 2230a_100015188798_100012180447 [0,1,1,0,0,0|2,0,0]=4 1709 B13R1.15 CC(CO)NCc1cccc(n1)F 34a_100015188798_100012180447 [0,1,1,0,0,0|2,0,0]=4 1710 B13R1.15 CC(CO)NCc1ccnc(c1)Br 2230a_100025757509_100012180447 [0,1,1,0,0,0|2,0,0]=4 1711 B13R1.15 CC(CO)NCc1ccnc(c1)Br 34a_100025757509_100012180447 [0,1,1,0,0,0|2,0,0]=4 1712 B13R1.15 CC(CO)NCc1ccnc(c1)Cl 2230a_100015205668_100012180447 [0,1,1,0,0,0|2,0,0]=4 1713 B13R1.15 CC(CO)NCc1ccnc(c1)Cl 34a_100015205668_100012180447 [0,1,1,0,0,0|2,0,0]=4 1714 B13R1.15 CC(CO)NCc1ccnc(c1)F 2230a_100015188774_100012180447 [0,1,1,0,0,0|2,0,0]=4 1715 B13R1.15 CC(CO)NCc1ccnc(c1)F 34a_100015188774_100012180447 [0,1,1,0,0,0|2,0,0]=4 1716 B13R1.15 CC(CO)NCc1cncc(c1)Cl 2230a_200020614424_100012180447 [0,1,1,0,0,0|2,0,0]=4 1717 B13R1.15 CC(CO)NCc1cncc(c1)F 2230a_100011962886_100012180447 [0,1,1,0,0,0|2,0,0]=4 1718 B13R1.15 CC(CO)NCc1cncc(c1)F 34a_100011962886_100012180447 [0,1,1,0,0,0|2,0,0]=4 1719 B13R1.15 CC(CO)OCc1cc(ccn1)Cl 34a_100000748867_100012180447 [0,1,1,0,0,0|1,0,0]=3 1720 B13R1.15 CC(CO)OCc1cc(ccn1)N 34a_100000692640_100012180447 [0,1,1,0,0,0|1,0,0]=3 1721 B13R1.15 CC(CO)OCc1ccc[n+](c1)[O-] 34a_100000037817_100012180447 [0,1,1,0,0,0|1,0,0]=3 1722 B13R1.15 CC(CO)OCc1ccc[n+](c1)[O-] 7a_100000037817_100012180447 [0,1,1,0,0,0|1,0,0]=3 1723 B13R1.15 CC(CO)OCc1cccc(c1)Br 34a_100000687537_100012180447 [0,1,1,0,0,0|0,0,0]=2 1724 B13R1.15 CC(CO)OCc1cccc(c1)Br 7a_100000687537_100012180447 [0,1,1,0,0,0|0,0,0]=2 1725 B13R1.15 CC(CO)OCc1cccc(c1)Cl 34a_100000241301_100012180447 [0,1,1,0,0,0|0,0,0]=2 1726 B13R1.15 CC(CO)OCc1cccc(c1)Cl 7a_100000241301_100012180447 [0,1,1,0,0,0|0,0,0]=2 1727 B13R1.15 CC(CO)OCc1cccc(c1)F 34a_100000210976_100012180447 [0,1,1,0,0,0|0,0,0]=2 1728 B13R1.15 CC(CO)OCc1cccc(c1)F 7a_100000210976_100012180447 [0,1,1,0,0,0|0,0,0]=2 1729 B13R1.15 CC(CO)OCc1cccc(c1)I 34a_100011215336_100012180447 [0,1,1,0,0,0|0,0,0]=2 1730 B13R1.15 CC(CO)OCc1cccc(c1)I 7a_100011215336_100012180447 [0,1,1,0,0,0|0,0,0]=2 1731 B13R1.15 CC(CO)OCc1cccc(c1)N 34a_100000211919_100012180447 [0,1,1,0,0,0|0,0,0]=2 1732 B13R1.15 CC(CO)OCc1cccc(n1)Br 34a_100000694195_100012180447 [0,1,1,0,0,0|1,0,0]=3 1733 B13R1.15 CC(CO)OCc1cccc(n1)Cl 34a_100011998359_100012180447 [0,1,1,0,0,0|1,0,0]=3 1734 B13R1.15 CC(CO)OCc1cccc(n1)F 34a_100000086748_100012180447 [0,1,1,0,0,0|1,0,0]=3 1735 B13R1.15 CC(CO)OCc1ccnc(c1)Br 34a_100009814636_100012180447 [0,1,1,0,0,0|1,0,0]=3 1736 B13R1.15 CC(CO)OCc1ccnc(c1)Br 7a_100009814636_100012180447 [0,1,1,0,0,0|1,0,0]=3 1737 B13R1.15 CC(CO)OCc1ccnc(c1)Cl 34a_100000748751_100012180447 [0,1,1,0,0,0|1,0,0]=3 1738 B13R1.15 CC(CO)OCc1ccnc(c1)F 34a_100000082451_100012180447 [0,1,1,0,0,0|1,0,0]=3 1739 B13R1.15 CC(CO)OCc1cncc(c1)Br 34a_100011259137_100012180447 [0,1,1,0,0,0|1,0,0]=3 1740 B13R1.15 CC(CO)OCc1cncc(c1)Br 7a_100011259137_100012180447 [0,1,1,0,0,0|1,0,0]=3 1741 B13R1.15 CC(CO)OCc1cncc(c1)Cl 34a_100000092867_100012180447 [0,1,1,0,0,0|1,0,0]=3 1742 B13R1.15 CC(CO)OCc1cncc(c1)Cl 7a_100000092867_100012180447 [0,1,1,0,0,0|1,0,0]=3 1743 B13R1.15 CC(CO)OCc1cncc(c1)F 34a_100011962875_100012180447 [0,1,1,0,0,0|1,0,0]=3 1744 B13R1.15 CC(CO)OCc1cncc(c1)F 7a_100011962875_100012180447 [0,1,1,0,0,0|1,0,0]=3 1745 B13R1.15 CC(CO)OCc1cncc(c1)N 34a_100000085308_100012180447 [0,1,1,0,0,0|1,0,0]=3 1746 B13R1.15 CC(CO)SCc1cc(ccn1)Br 62a_100012180447_100010173614 [0,1,1,0,0,0|1,1,0]=4 1747 B13R1.15 CC(CO)SCc1cc(ccn1)Cl 62a_100012180447_100016988179 [0,1,1,0,0,0|1,1,0]=4 1748 B13R1.15 CC(CO)SCc1cccc(c1)Br 62a_100012180447_100000211773 [0,1,1,0,0,0|0,1,0]=3 1749 B13R1.15 CC(CO)SCc1cccc(c1)Cl 62a_100012180447_100000187163 [0,1,1,0,0,0|0,1,0]=3 1750 B13R1.15 CC(CO)SCc1cccc(c1)F 62a_100012180447_100000230114 [0,1,1,0,0,0|0,1,0]=3 1751 B13R1.15 CC(CO)SCc1cccc(c1)I 62a_100012180447_100011218688 [0,1,1,0,0,0|0,1,0]=3 1752 B13R1.15 CC(CO)SCc1cccc(c1)O 62a_100012180447_100011660834 [0,1,1,0,0,0|0,1,0]=3 1753 B13R1.15 CC(CO)SCc1cccc(n1)Br 62a_100012180447_100009889011 [0,1,1,0,0,0|1,1,0]=4 1754 B13R1.15 CC(CO)SCc1cccc(n1)Cl 62a_100012180447_100000086093 [0,1,1,0,0,0|1,1,0]=4 1755 B13R1.15 CC(CO)SCc1cccc(n1)F 62a_100012180447_100009819644 [0,1,1,0,0,0|1,1,0]=4 1756 B13R1.15 CC(CO)SCc1ccnc(c1)Br 62a_100012180447_100010243470 [0,1,1,0,0,0|1,1,0]=4 1757 B13R1.15 CC(CO)SCc1ccnc(c1)Cl 62a_100012180447_100000764220 [0,1,1,0,0,0|1,1,0]=4 1758 B13R1.15 CC(CO)SCc1cncc(c1)Br 62a_100012180447_100000738771 [0,1,1,0,0,0|1,1,0]=4 1759 B13R1.15 CC(CO)SCc1cncc(c1)Cl 62a_100012180447_100016992070 [0,1,1,0,0,0|1,1,0]=4 1760 B13R1.15 CC(CO)SCc1cncc(c1)F 62a_100012180447_100000725299 [0,1,1,0,0,0|1,1,0]=4 1761 B13R1.15 CCC(C)NCc1cccc(c1)Br 207a_100000209981_100000210085 [0,1,1,0,0,0|2,0,0]=4 1762 B13R1.15 CCC(C)NCc1cccc(c1)Br 2230a_100000174977_100000758301 [0,1,1,0,0,0|2,0,0]=4 1763 B13R1.15 CCC(C)NCc1cccc(c1)Br 2230a_100000209981_100000698116 [0,1,1,0,0,0|2,0,0]=4 1764 B13R1.15 CCC(C)NCc1cccc(c1)Br 270004a_100000209981_100000210085 [0,1,1,0,0,0|2,0,0]=4 1765 B13R1.15 CCC(C)NCc1cccc(c1)Br 34a_100000174977_100011215416 [0,1,1,0,0,0|2,0,0]=4 1766 B13R1.15 CCC(C)NCc1cccc(c1)C 207a_100000209981_100000211157 [0,1,1,0,0,0|2,0,0]=4 1767 B13R1.15 CCC(C)NCc1cccc(c1)C 2230a_100000185548_100000758301 [0,1,1,0,0,0|2,0,0]=4 1768 B13R1.15 CCC(C)NCc1cccc(c1)C 2230a_100000209981_100000211840 [0,1,1,0,0,0|2,0,0]=4 1769 B13R1.15 CCC(C)NCc1cccc(c1)C 270004a_100000209981_100000211157 [0,1,1,0,0,0|2,0,0]=4 1770 B13R1.15 CCC(C)NCc1cccc(c1)C 34a_100000185548_100011215416 [0,1,1,0,0,0|2,0,0]=4 1771 B13R1.15 CCC(C)NCc1cccc(c1)Cl 207a_100000209981_100000210801 [0,1,1,0,0,0|2,0,0]=4 1772 B13R1.15 CCC(C)NCc1cccc(c1)Cl 2230a_100000174878_100000758301 [0,1,1,0,0,0|2,0,0]=4 1773 B13R1.15 CCC(C)NCc1cccc(c1)Cl 2230a_100000209981_100000181238 [0,1,1,0,0,0|2,0,0]=4 1774 B13R1.15 CCC(C)NCc1cccc(c1)Cl 270004a_100000209981_100000210801 [0,1,1,0,0,0|2,0,0]=4 1775 B13R1.15 CCC(C)NCc1cccc(c1)Cl 34a_100000174878_100011215416 [0,1,1,0,0,0|2,0,0]=4 1776 B13R1.15 CCC(C)NCc1cccc(c1)F 207a_100000209981_100000210812 [0,1,1,0,0,0|2,0,0]=4 1777 B13R1.15 CCC(C)NCc1cccc(c1)F 2230a_100000174948_100000758301 [0,1,1,0,0,0|2,0,0]=4 1778 B13R1.15 CCC(C)NCc1cccc(c1)F 2230a_100000209981_100000230114 [0,1,1,0,0,0|2,0,0]=4 1779 B13R1.15 CCC(C)NCc1cccc(c1)F 270004a_100000209981_100000210812 [0,1,1,0,0,0|2,0,0]=4 1780 B13R1.15 CCC(C)NCc1cccc(c1)F 34a_100000174948_100011215416 [0,1,1,0,0,0|2,0,0]=4 1781 B13R1.15 CCC(C)NCc1cccc(c1)I 207a_100000209981_100000014684 [0,1,1,0,0,0|2,0,0]=4 1782 B13R1.15 CCC(C)NCc1cccc(c1)I 2230a_100000106179_100000758301 [0,1,1,0,0,0|2,0,0]=4 1783 B13R1.15 CCC(C)NCc1cccc(c1)I 2230a_100000209981_100011218688 [0,1,1,0,0,0|2,0,0]=4 1784 B13R1.15 CCC(C)NCc1cccc(c1)I 270004a_100000209981_100000014684 [0,1,1,0,0,0|2,0,0]=4 1785 B13R1.15 CCC(C)NCc1cccc(c1)I 34a_100000106179_100011215416 [0,1,1,0,0,0|2,0,0]=4 1786 B13R1.15 CCC(C)NCc1cccc(c1)O 207a_100000209981_100000188321 [0,1,1,0,0,0|2,0,0]=4 1787 B13R1.15 CCC(C)NCc1cccc(c1)O 2230a_100000209981_100011660834 [0,1,1,0,0,0|2,0,0]=4 1788 B13R1.15 CCC(C)NCc1cccc(c1)O 2230a_100000743036_100000758301 [0,1,1,0,0,0|2,0,0]=4 1789 B13R1.15 CCC(C)NCc1cccc(c1)O 270004a_100000209981_100000188321 [0,1,1,0,0,0|2,0,0]=4 1790 B13R1.15 CCC(C)NCc1cccc(c1)O 271570a_203496583355_100015184642 [0,1,1,0,0,0|2,0,0]=4 1791 B13R1.15 CCC(C)NCc1cccc(c1)O 34a_100000743036_100011215416 [0,1,1,0,0,0|2,0,0]=4 1792 B13R1.15 CCC(C)OCc1cc(ccn1)Br 7a_100000210228_100010173614 [0,1,1,0,0,0|2,0,0]=4 1793 B13R1.15 CCC(C)OCc1cc(ccn1)C 34a_100011998357_100011215416 [0,1,1,0,0,0|2,0,0]=4 1794 B13R1.15 CCC(C)OCc1cc(ccn1)C 7a_100000210228_100000718516 [0,1,1,0,0,0|2,0,0]=4 1795 B13R1.15 CCC(C)OCc1cc(ccn1)Cl 34a_100000748867_100011215416 [0,1,1,0,0,0|2,0,0]=4 1796 B13R1.15 CCC(C)OCc1cc(ccn1)Cl 7a_100000210228_100016988179 [0,1,1,0,0,0|2,0,0]=4 1797 B13R1.15 CCC(C)OCc1cc(ccn1)N 34a_100000692640_100011215416 [0,1,1,0,0,0|2,0,0]=4 1798 B13R1.15 CCC(C)OCc1ccc[n+](c1)[O-] 34a_100000037817_100011215416 [0,1,1,0,0,0|2,0,0]=4 1799 B13R1.15 CCC(C)OCc1ccc[n+](c1)[O-] 7a_100000037817_100000758301 [0,1,1,0,0,0|2,0,0]=4 1800 B13R1.15 CCC(C)OCc1cccc(c1)Br 34a_100000687537_100011215416 [0,1,1,0,0,0|1,0,0]=3 1801 B13R1.15 CCC(C)OCc1cccc(c1)Br 7a_100000210228_100000211773 [0,1,1,0,0,0|1,0,0]=3 1802 B13R1.15 CCC(C)OCc1cccc(c1)Br 7a_100000687537_100000758301 [0,1,1,0,0,0|1,0,0]=3 1803 B13R1.15 CCC(C)OCc1cccc(c1)C 34a_100011217746_100011215416 [0,1,1,0,0,0|1,0,0]=3 1804 B13R1.15 CCC(C)OCc1cccc(c1)C 7a_100000210228_100000211840 [0,1,1,0,0,0|1,0,0]=3 1805 B13R1.15 CCC(C)OCc1cccc(c1)C 7a_100011217746_100000758301 [0,1,1,0,0,0|1,0,0]=3 1806 B13R1.15 CCC(C)OCc1cccc(c1)Cl 34a_100000241301_100011215416 [0,1,1,0,0,0|1,0,0]=3 1807 B13R1.15 CCC(C)OCc1cccc(c1)Cl 7a_100000210228_100000187163 [0,1,1,0,0,0|1,0,0]=3 1808 B13R1.15 CCC(C)OCc1cccc(c1)Cl 7a_100000241301_100000758301 [0,1,1,0,0,0|1,0,0]=3 1809 B13R1.15 CCC(C)OCc1cccc(c1)F 34a_100000210976_100011215416 [0,1,1,0,0,0|1,0,0]=3 1810 B13R1.15 CCC(C)OCc1cccc(c1)F 7a_100000210228_100000230114 [0,1,1,0,0,0|1,0,0]=3 1811 B13R1.15 CCC(C)OCc1cccc(c1)F 7a_100000210976_100000758301 [0,1,1,0,0,0|1,0,0]=3 1812 B13R1.15 CCC(C)OCc1cccc(c1)I 34a_100011215336_100011215416 [0,1,1,0,0,0|1,0,0]=3 1813 B13R1.15 CCC(C)OCc1cccc(c1)I 7a_100000210228_100011218688 [0,1,1,0,0,0|1,0,0]=3 1814 B13R1.15 CCC(C)OCc1cccc(c1)I 7a_100011215336_100000758301 [0,1,1,0,0,0|1,0,0]=3 1815 B13R1.15 CCC(C)OCc1cccc(c1)N 34a_100000211919_100011215416 [0,1,1,0,0,0|1,0,0]=3 1816 B13R1.15 CCC(C)OCc1cccc(c1)O 7a_100000210228_100000084143 [0,1,1,0,0,0|1,0,0]=3 1817 B13R1.15 CCC(C)OCc1cccc(n1)Br 34a_100000694195_100011215416 [0,1,1,0,0,0|2,0,0]=4 1818 B13R1.15 CCC(C)OCc1cccc(n1)Br 7a_100000210228_100009889011 [0,1,1,0,0,0|2,0,0]=4 1819 B13R1.15 CCC(C)OCc1cccc(n1)C 34a_100000690600_100011215416 [0,1,1,0,0,0|2,0,0]=4 1820 B13R1.15 CCC(C)OCc1cccc(n1)C 7a_100000210228_100000757606 [0,1,1,0,0,0|2,0,0]=4 1821 B13R1.15 CCC(C)OCc1cccc(n1)Cl 34a_100011998359_100011215416 [0,1,1,0,0,0|2,0,0]=4 1822 B13R1.15 CCC(C)OCc1cccc(n1)Cl 7a_100000210228_100000086093 [0,1,1,0,0,0|2,0,0]=4 1823 B13R1.15 CCC(C)OCc1cccc(n1)F 34a_100000086748_100011215416 [0,1,1,0,0,0|2,0,0]=4 1824 B13R1.15 CCC(C)OCc1cccc(n1)F 7a_100000210228_100009819644 [0,1,1,0,0,0|2,0,0]=4 1825 B13R1.15 CCC(C)OCc1ccnc(c1)Br 34a_100009814636_100011215416 [0,1,1,0,0,0|2,0,0]=4 1826 B13R1.15 CCC(C)OCc1ccnc(c1)Br 7a_100000210228_100010254460 [0,1,1,0,0,0|2,0,0]=4 1827 B13R1.15 CCC(C)OCc1ccnc(c1)Br 7a_100009814636_100000758301 [0,1,1,0,0,0|2,0,0]=4 1828 B13R1.15 CCC(C)OCc1ccnc(c1)C 34a_100011998630_100011215416 [0,1,1,0,0,0|2,0,0]=4 1829 B13R1.15 CCC(C)OCc1ccnc(c1)C 7a_100000210228_200020672517 [0,1,1,0,0,0|2,0,0]=4 1830 B13R1.15 CCC(C)OCc1ccnc(c1)Cl 34a_100000748751_100011215416 [0,1,1,0,0,0|2,0,0]=4 1831 B13R1.15 CCC(C)OCc1ccnc(c1)Cl 7a_100000210228_100000764220 [0,1,1,0,0,0|2,0,0]=4 1832 B13R1.15 CCC(C)OCc1ccnc(c1)F 34a_100000082451_100011215416 [0,1,1,0,0,0|2,0,0]=4 1833 B13R1.15 CCC(C)OCc1cncc(c1)Br 34a_100011259137_100011215416 [0,1,1,0,0,0|2,0,0]=4 1834 B13R1.15 CCC(C)OCc1cncc(c1)Br 7a_100000210228_100000738771 [0,1,1,0,0,0|2,0,0]=4 1835 B13R1.15 CCC(C)OCc1cncc(c1)Br 7a_100011259137_100000758301 [0,1,1,0,0,0|2,0,0]=4 1836 B13R1.15 CCC(C)OCc1cncc(c1)C 34a_100011998709_100011215416 [0,1,1,0,0,0|2,0,0]=4 1837 B13R1.15 CCC(C)OCc1cncc(c1)C 7a_100000210228_100000716715 [0,1,1,0,0,0|2,0,0]=4 1838 B13R1.15 CCC(C)OCc1cncc(c1)C 7a_100011998709_100000758301 [0,1,1,0,0,0|2,0,0]=4 1839 B13R1.15 CCC(C)OCc1cncc(c1)Cl 34a_100000092867_100011215416 [0,1,1,0,0,0|2,0,0]=4 1840 B13R1.15 CCC(C)OCc1cncc(c1)Cl 7a_100000092867_100000758301 [0,1,1,0,0,0|2,0,0]=4 1841 B13R1.15 CCC(C)OCc1cncc(c1)Cl 7a_100000210228_100016992070 [0,1,1,0,0,0|2,0,0]=4 1842 B13R1.15 CCC(C)OCc1cncc(c1)F 34a_100011962875_100011215416 [0,1,1,0,0,0|2,0,0]=4 1843 B13R1.15 CCC(C)OCc1cncc(c1)F 7a_100000210228_100000725299 [0,1,1,0,0,0|2,0,0]=4 1844 B13R1.15 CCC(C)OCc1cncc(c1)F 7a_100011962875_100000758301 [0,1,1,0,0,0|2,0,0]=4 1845 B13R1.15 CCC(C)OCc1cncc(c1)N 34a_100000085308_100011215416 [0,1,1,0,0,0|2,0,0]=4 1846 B13R1.15 CCC(C)SCc1cccc(c1)Br 62a_100000211773_100000758301 [0,1,1,0,0,0|1,1,0]=4 1847 B13R1.15 CCC(C)SCc1cccc(c1)Br 62a_100000758301_100000211773 [0,1,1,0,0,0|1,1,0]=4 1848 B13R1.15 CCC(C)SCc1cccc(c1)C 62a_100000211840_100000758301 [0,1,1,0,0,0|1,1,0]=4 1849 B13R1.15 CCC(C)SCc1cccc(c1)C 62a_100000758301_100000211840 [0,1,1,0,0,0|1,1,0]=4 1850 B13R1.15 CCC(C)SCc1cccc(c1)Cl 62a_100000187163_100000758301 [0,1,1,0,0,0|1,1,0]=4 1851 B13R1.15 CCC(C)SCc1cccc(c1)Cl 62a_100000758301_100000187163 [0,1,1,0,0,0|1,1,0]=4 1852 B13R1.15 CCC(C)SCc1cccc(c1)F 62a_100000230114_100000758301 [0,1,1,0,0,0|1,1,0]=4 1853 B13R1.15 CCC(C)SCc1cccc(c1)F 62a_100000758301_100000230114 [0,1,1,0,0,0|1,1,0]=4 1854 B13R1.15 CCC(C)SCc1cccc(c1)I 62a_100000758301_100011218688 [0,1,1,0,0,0|1,1,0]=4 1855 B13R1.15 CCC(C)SCc1cccc(c1)I 62a_100011218688_100000758301 [0,1,1,0,0,0|1,1,0]=4 1856 B13R1.15 CCC(C)SCc1cccc(c1)O 62a_100000758301_100011660834 [0,1,1,0,0,0|1,1,0]=4 1857 B13R1.15 CCC(C)SCc1cccc(c1)O 62a_100011660834_100000758301 [0,1,1,0,0,0|1,1,0]=4 1858 B13R1.15 C[C@@H](CO)CNc1cccc(c1)Br 34a_100000210019_100000059175 [0,1,1,0,0,0|2,0,0]=4 1859 B13R1.15 C[C@@H](CO)CNc1cccc(c1)Cl 34a_100000185859_100000059175 [0,1,1,0,0,0|2,0,0]=4 1860 B13R1.15 C[C@@H](CO)CNc1cccc(c1)F 34a_100000210047_100000059175 [0,1,1,0,0,0|2,0,0]=4 1861 B13R1.15 C[C@@H](CO)CNc1cccc(c1)I 34a_100000211102_100000059175 [0,1,1,0,0,0|2,0,0]=4 1862 B13R1.15 C[C@@H](CO)CNc1cccc(c1)O 34a_100000210217_100000059175 [0,1,1,0,0,0|2,0,0]=4 1863 B13R1.15 C[C@@H](CO)COc1cccc(c1)Br 34a_100000210342_100000059175 [0,1,1,0,0,0|2,0,0]=4 1864 B13R1.15 C[C@@H](CO)COc1cccc(c1)Br 7a_100000210342_100000059175 [0,1,1,0,0,0|2,0,0]=4 1865 B13R1.15 C[C@@H](CO)COc1cccc(c1)Cl 34a_100000210295_100000059175 [0,1,1,0,0,0|2,0,0]=4 1866 B13R1.15 C[C@@H](CO)COc1cccc(c1)Cl 7a_100000210295_100000059175 [0,1,1,0,0,0|2,0,0]=4 1867 B13R1.15 C[C@@H](CO)COc1cccc(c1)F 34a_100000210426_100000059175 [0,1,1,0,0,0|2,0,0]=4 1868 B13R1.15 C[C@@H](CO)COc1cccc(c1)F 7a_100000210426_100000059175 [0,1,1,0,0,0|2,0,0]=4 1869 B13R1.15 C[C@@H](CO)COc1cccc(c1)I 34a_100000211634_100000059175 [0,1,1,0,0,0|2,0,0]=4 1870 B13R1.15 C[C@@H](CO)COc1cccc(c1)I 7a_100000211634_100000059175 [0,1,1,0,0,0|2,0,0]=4 1871 B13R1.15 C[C@@H](CO)COc1cccc(c1)N 34a_100000210217_100000059175 [0,1,1,0,0,0|2,0,0]=4 1872 B13R1.15 C[C@@H](CO)CSc1cccc(c1)Br 62a_100000059175_100000691529 [0,1,1,0,0,0|2,0,0]=4 1873 B13R1.15 C[C@@H](CO)CSc1cccc(c1)Br 62a_100000691529_100000059175 [0,1,1,0,0,0|2,0,0]=4 1874 B13R1.15 C[C@@H](CO)CSc1cccc(c1)Cl 62a_100000059175_100000699651 [0,1,1,0,0,0|2,0,0]=4 1875 B13R1.15 C[C@@H](CO)CSc1cccc(c1)Cl 62a_100000699651_100000059175 [0,1,1,0,0,0|2,0,0]=4 1876 B13R1.15 C[C@@H](CO)CSc1cccc(c1)F 62a_100000059175_100000685547 [0,1,1,0,0,0|2,0,0]=4 1877 B13R1.15 C[C@@H](CO)CSc1cccc(c1)F 62a_100000685547_100000059175 [0,1,1,0,0,0|2,0,0]=4 1878 B13R1.15 C[C@@H](CO)CSc1cccc(c1)N 62a_100000059175_100000210019 [0,1,1,0,0,0|2,0,0]=4 1879 B13R1.15 C[C@@H](CO)CSc1cccc(c1)N 62a_100000210019_100000059175 [0,1,1,0,0,0|2,0,0]=4 1880 B13R1.15 C[C@@H](CO)CSc1cccc(c1)O 62a_100000059175_100000211634 [0,1,1,0,0,0|2,0,0]=4 1881 B13R1.15 C[C@@H](CO)CSc1cccc(c1)[S] 62a_100000059175_114929384022 [0,1,1,0,0,0|2,0,0]=4 1882 B13R1.15 C[C@@H](CO)CSc1cccc(c1)[S] 62a_114929384022_100000059175 [0,1,1,0,0,0|2,0,0]=4 1883 B13R1.15 C[C@H](CF)NCc1cccc(c1)Br 207a_100102880703_100000210085 [0,1,1,0,0,0|2,0,0]=4 1884 B13R1.15 C[C@H](CF)NCc1cccc(c1)Br 270004a_100102880703_100000210085 [0,1,1,0,0,0|2,0,0]=4 1885 B13R1.15 C[C@H](CF)NCc1cccc(c1)Cl 207a_100102880703_100000210801 [0,1,1,0,0,0|2,0,0]=4 1886 B13R1.15 C[C@H](CF)NCc1cccc(c1)Cl 270004a_100102880703_100000210801 [0,1,1,0,0,0|2,0,0]=4 1887 B13R1.15 C[C@H](CF)NCc1cccc(c1)F 207a_100102880703_100000210812 [0,1,1,0,0,0|2,0,0]=4 1888 B13R1.15 C[C@H](CF)NCc1cccc(c1)F 270004a_100102880703_100000210812 [0,1,1,0,0,0|2,0,0]=4 1889 B13R1.15 C[C@H](CF)NCc1cccc(c1)I 207a_100102880703_100000014684 [0,1,1,0,0,0|2,0,0]=4 1890 B13R1.15 C[C@H](CF)NCc1cccc(c1)I 270004a_100102880703_100000014684 [0,1,1,0,0,0|2,0,0]=4 1891 B13R1.15 C[C@H](CF)NCc1cccc(c1)O 207a_100102880703_100000188321 [0,1,1,0,0,0|2,0,0]=4 1892 B13R1.15 C[C@H](CF)NCc1cccc(c1)O 270004a_100102880703_100000188321 [0,1,1,0,0,0|2,0,0]=4 1893 B13R1.15 C[C@H](CO)NCc1cc(ccn1)Br 2230a_100000737577_100010173614 [0,1,1,0,0,0|2,0,0]=4 1894 B13R1.15 C[C@H](CO)NCc1cc(ccn1)Br 270004a_100000737577_100009818557 [0,1,1,0,0,0|2,0,0]=4 1895 B13R1.15 C[C@H](CO)NCc1cc(ccn1)Cl 2230a_100000737577_100016988179 [0,1,1,0,0,0|2,0,0]=4 1896 B13R1.15 C[C@H](CO)NCc1cc(ccn1)Cl 270004a_100000737577_100011998288 [0,1,1,0,0,0|2,0,0]=4 1897 B13R1.15 C[C@H](CO)NCc1cccc(=O)[nH]1 207a_100000737577_100011935257 [0,1,1,0,0,0|2,0,0]=4 1898 B13R1.15 C[C@H](CO)NCc1cccc(c1)Br 207a_100000737577_100000210085 [0,1,1,0,0,0|1,0,0]=3 1899 B13R1.15 C[C@H](CO)NCc1cccc(c1)Br 2230a_100000737577_100000698116 [0,1,1,0,0,0|1,0,0]=3 1900 B13R1.15 C[C@H](CO)NCc1cccc(c1)Br 270004a_100000737577_100000210085 [0,1,1,0,0,0|1,0,0]=3 1901 B13R1.15 C[C@H](CO)NCc1cccc(c1)Cl 207a_100000737577_100000210801 [0,1,1,0,0,0|1,0,0]=3 1902 B13R1.15 C[C@H](CO)NCc1cccc(c1)Cl 2230a_100000737577_100000181238 [0,1,1,0,0,0|1,0,0]=3 1903 B13R1.15 C[C@H](CO)NCc1cccc(c1)Cl 270004a_100000737577_100000210801 [0,1,1,0,0,0|1,0,0]=3 1904 B13R1.15 C[C@H](CO)NCc1cccc(c1)F 207a_100000737577_100000210812 [0,1,1,0,0,0|1,0,0]=3 1905 B13R1.15 C[C@H](CO)NCc1cccc(c1)F 2230a_100000737577_100000230114 [0,1,1,0,0,0|1,0,0]=3 1906 B13R1.15 C[C@H](CO)NCc1cccc(c1)F 270004a_100000737577_100000210812 [0,1,1,0,0,0|1,0,0]=3 1907 B13R1.15 C[C@H](CO)NCc1cccc(c1)I 207a_100000737577_100000014684 [0,1,1,0,0,0|1,0,0]=3 1908 B13R1.15 C[C@H](CO)NCc1cccc(c1)I 2230a_100000737577_100011218688 [0,1,1,0,0,0|1,0,0]=3 1909 B13R1.15 C[C@H](CO)NCc1cccc(c1)I 270004a_100000737577_100000014684 [0,1,1,0,0,0|1,0,0]=3 1910 B13R1.15 C[C@H](CO)NCc1cccc(c1)O 207a_100000737577_100000188321 [0,1,1,0,0,0|1,0,0]=3 1911 B13R1.15 C[C@H](CO)NCc1cccc(c1)O 2230a_100000737577_100011660834 [0,1,1,0,0,0|1,0,0]=3 1912 B13R1.15 C[C@H](CO)NCc1cccc(c1)O 270004a_100000737577_100000188321 [0,1,1,0,0,0|1,0,0]=3 1913 B13R1.15 C[C@H](CO)NCc1cccc(n1)Br 2230a_100000737577_100009889011 [0,1,1,0,0,0|2,0,0]=4 1914 B13R1.15 C[C@H](CO)NCc1cccc(n1)Br 270004a_100000737577_100000688028 [0,1,1,0,0,0|2,0,0]=4 1915 B13R1.15 C[C@H](CO)NCc1cccc(n1)Cl 2230a_100000737577_100000086093 [0,1,1,0,0,0|2,0,0]=4 1916 B13R1.15 C[C@H](CO)NCc1cccc(n1)Cl 270004a_100000737577_100011361687 [0,1,1,0,0,0|2,0,0]=4 1917 B13R1.15 C[C@H](CO)NCc1cccc(n1)F 2230a_100000737577_100009819644 [0,1,1,0,0,0|2,0,0]=4 1918 B13R1.15 C[C@H](CO)NCc1cccc(n1)F 270004a_100000737577_100000050434 [0,1,1,0,0,0|2,0,0]=4 1919 B13R1.15 C[C@H](CO)NCc1ccnc(c1)Br 2230a_100000737577_100010243470 [0,1,1,0,0,0|2,0,0]=4 1920 B13R1.15 C[C@H](CO)NCc1ccnc(c1)Br 270004a_100000737577_100009814634 [0,1,1,0,0,0|2,0,0]=4 1921 B13R1.15 C[C@H](CO)NCc1ccnc(c1)Cl 2230a_100000737577_100000764220 [0,1,1,0,0,0|2,0,0]=4 1922 B13R1.15 C[C@H](CO)NCc1ccnc(c1)Cl 270004a_100000737577_100011290808 [0,1,1,0,0,0|2,0,0]=4 1923 B13R1.15 C[C@H](CO)NCc1ccnc(c1)F 270004a_100000737577_100000068331 [0,1,1,0,0,0|2,0,0]=4 1924 B13R1.15 C[C@H](CO)NCc1ccnc(c1)O 207a_100000737577_100000688113 [0,1,1,0,0,0|2,0,0]=4 1925 B13R1.15 C[C@H](CO)NCc1cncc(c1)Br 207a_100000737577_100000687066 [0,1,1,0,0,0|2,0,0]=4 1926 B13R1.15 C[C@H](CO)NCc1cncc(c1)Br 2230a_100000737577_100000738771 [0,1,1,0,0,0|2,0,0]=4 1927 B13R1.15 C[C@H](CO)NCc1cncc(c1)Br 270004a_100000737577_100000687066 [0,1,1,0,0,0|2,0,0]=4 1928 B13R1.15 C[C@H](CO)NCc1cncc(c1)Cl 207a_100000737577_100000088910 [0,1,1,0,0,0|2,0,0]=4 1929 B13R1.15 C[C@H](CO)NCc1cncc(c1)Cl 2230a_100000737577_100016992070 [0,1,1,0,0,0|2,0,0]=4 1930 B13R1.15 C[C@H](CO)NCc1cncc(c1)Cl 270004a_100000737577_100000088910 [0,1,1,0,0,0|2,0,0]=4 1931 B13R1.15 C[C@H](CO)NCc1cncc(c1)F 207a_100000737577_100011361476 [0,1,1,0,0,0|2,0,0]=4 1932 B13R1.15 C[C@H](CO)NCc1cncc(c1)F 2230a_100000737577_100000725299 [0,1,1,0,0,0|2,0,0]=4 1933 B13R1.15 C[C@H](CO)NCc1cncc(c1)F 270004a_100000737577_100011361476 [0,1,1,0,0,0|2,0,0]=4 1934 B13R1.15 C[C@H](CO)NCc1cncc(c1)O 207a_100000737577_100012187055 [0,1,1,0,0,0|2,0,0]=4 1935 B13R1.15 C[C@H](CO)NCc1cncc(c1)O 270004a_100000737577_100012187055 [0,1,1,0,0,0|2,0,0]=4 1936 B13R1.15 C[C@H](CO)SCc1cc(ccn1)Br 62a_100010173614_100016084084 [0,1,1,0,0,0|1,1,0]=4 1937 B13R1.15 C[C@H](CO)SCc1cc(ccn1)Br 62a_100016084084_100010173614 [0,1,1,0,0,0|1,1,0]=4 1938 B13R1.15 C[C@H](CO)SCc1cc(ccn1)Cl 62a_100016084084_100016988179 [0,1,1,0,0,0|1,1,0]=4 1939 B13R1.15 C[C@H](CO)SCc1cc(ccn1)Cl 62a_100016988179_100016084084 [0,1,1,0,0,0|1,1,0]=4 1940 B13R1.15 C[C@H](CO)SCc1cccc(c1)Br 62a_100000211773_100016084084 [0,1,1,0,0,0|0,1,0]=3 1941 B13R1.15 C[C@H](CO)SCc1cccc(c1)Br 62a_100016084084_100000211773 [0,1,1,0,0,0|0,1,0]=3 1942 B13R1.15 C[C@H](CO)SCc1cccc(c1)Cl 62a_100000187163_100016084084 [0,1,1,0,0,0|0,1,0]=3 1943 B13R1.15 C[C@H](CO)SCc1cccc(c1)Cl 62a_100016084084_100000187163 [0,1,1,0,0,0|0,1,0]=3 1944 B13R1.15 C[C@H](CO)SCc1cccc(c1)F 62a_100000230114_100016084084 [0,1,1,0,0,0|0,1,0]=3 1945 B13R1.15 C[C@H](CO)SCc1cccc(c1)F 62a_100016084084_100000230114 [0,1,1,0,0,0|0,1,0]=3 1946 B13R1.15 C[C@H](CO)SCc1cccc(c1)I 62a_100011218688_100016084084 [0,1,1,0,0,0|0,1,0]=3 1947 B13R1.15 C[C@H](CO)SCc1cccc(c1)I 62a_100016084084_100011218688 [0,1,1,0,0,0|0,1,0]=3 1948 B13R1.15 C[C@H](CO)SCc1cccc(c1)O 62a_100011660834_100016084084 [0,1,1,0,0,0|0,1,0]=3 1949 B13R1.15 C[C@H](CO)SCc1cccc(c1)O 62a_100016084084_100011660834 [0,1,1,0,0,0|0,1,0]=3 1950 B13R1.15 C[C@H](CO)SCc1cccc(n1)Br 62a_100009889011_100016084084 [0,1,1,0,0,0|1,1,0]=4 1951 B13R1.15 C[C@H](CO)SCc1cccc(n1)Br 62a_100016084084_100009889011 [0,1,1,0,0,0|1,1,0]=4 1952 B13R1.15 C[C@H](CO)SCc1cccc(n1)Cl 62a_100000086093_100016084084 [0,1,1,0,0,0|1,1,0]=4 1953 B13R1.15 C[C@H](CO)SCc1cccc(n1)Cl 62a_100016084084_100000086093 [0,1,1,0,0,0|1,1,0]=4 1954 B13R1.15 C[C@H](CO)SCc1cccc(n1)F 62a_100009819644_100016084084 [0,1,1,0,0,0|1,1,0]=4 1955 B13R1.15 C[C@H](CO)SCc1cccc(n1)F 62a_100016084084_100009819644 [0,1,1,0,0,0|1,1,0]=4 1956 B13R1.15 C[C@H](CO)SCc1ccnc(c1)Br 62a_100010254460_100016084084 [0,1,1,0,0,0|1,1,0]=4 1957 B13R1.15 C[C@H](CO)SCc1ccnc(c1)Br 62a_100016084084_100010243470 [0,1,1,0,0,0|1,1,0]=4 1958 B13R1.15 C[C@H](CO)SCc1ccnc(c1)Cl 62a_100000764220_100016084084 [0,1,1,0,0,0|1,1,0]=4 1959 B13R1.15 C[C@H](CO)SCc1ccnc(c1)Cl 62a_100016084084_100000764220 [0,1,1,0,0,0|1,1,0]=4 1960 B13R1.15 C[C@H](CO)SCc1cncc(c1)Br 62a_100000738771_100016084084 [0,1,1,0,0,0|1,1,0]=4 1961 B13R1.15 C[C@H](CO)SCc1cncc(c1)Br 62a_100016084084_100000738771 [0,1,1,0,0,0|1,1,0]=4 1962 B13R1.15 C[C@H](CO)SCc1cncc(c1)Cl 62a_100016084084_100016992070 [0,1,1,0,0,0|1,1,0]=4 1963 B13R1.15 C[C@H](CO)SCc1cncc(c1)Cl 62a_100016992070_100016084084 [0,1,1,0,0,0|1,1,0]=4 1964 B13R1.15 C[C@H](CO)SCc1cncc(c1)F 62a_100000725299_100016084084 [0,1,1,0,0,0|1,1,0]=4 1965 B13R1.15 C[C@H](CO)SCc1cncc(c1)F 62a_100016084084_100000725299 [0,1,1,0,0,0|1,1,0]=4 1966 B13R1.15 Cc1cc(ccn1)CNC(C)CO 34a_100011934566_100012180447 [0,1,1,0,0,0|2,0,0]=4 1967 B13R1.15 Cc1cc(ccn1)CN[C@H](C)CO 207a_100000737577_100011361630 [0,1,1,0,0,0|2,0,0]=4 1968 B13R1.15 Cc1cc(ccn1)CN[C@H](C)CO 2230a_100000737577_200020672517 [0,1,1,0,0,0|2,0,0]=4 1969 B13R1.15 Cc1cc(ccn1)CN[C@H](C)CO 270004a_100000737577_100011361630 [0,1,1,0,0,0|2,0,0]=4 1970 B13R1.15 Cc1cc(ccn1)COC(C)CF 34a_100016041109_200020672517 [0,1,1,0,0,0|2,0,0]=4 1971 B13R1.15 Cc1cc(ccn1)COC(C)CF 7a_100016041109_200020672517 [0,1,1,0,0,0|2,0,0]=4 1972 B13R1.15 Cc1cc(ccn1)COC(C)CN 34a_100000210904_200020672517 [0,1,1,0,0,0|2,0,0]=4 1973 B13R1.15 Cc1cc(ccn1)COC(C)CO 34a_100011998630_100012180447 [0,1,1,0,0,0|1,0,0]=3 1974 B13R1.15 Cc1cc(ccn1)CSC(C)CO 62a_100012180447_200020672517 [0,1,1,0,0,0|1,1,0]=4 1975 B13R1.15 Cc1cc(ccn1)CS[C@H](C)CO 62a_100016084084_200020672517 [0,1,1,0,0,0|1,1,0]=4 1976 B13R1.15 Cc1cc(ccn1)CS[C@H](C)CO 62a_200020672517_100016084084 [0,1,1,0,0,0|1,1,0]=4 1977 B13R1.15 Cc1cccc(c1)CNC(C)CO 2230a_100000185548_100012180447 [0,1,1,0,0,0|1,0,0]=3 1978 B13R1.15 Cc1cccc(c1)CNC(C)CO 34a_100000185548_100012180447 [0,1,1,0,0,0|1,0,0]=3 1979 B13R1.15 Cc1cccc(c1)CN[C@H](C)CF 207a_100102880703_100000211157 [0,1,1,0,0,0|2,0,0]=4 1980 B13R1.15 Cc1cccc(c1)CN[C@H](C)CF 270004a_100102880703_100000211157 [0,1,1,0,0,0|2,0,0]=4 1981 B13R1.15 Cc1cccc(c1)CN[C@H](C)CO 207a_100000737577_100000211157 [0,1,1,0,0,0|1,0,0]=3 1982 B13R1.15 Cc1cccc(c1)CN[C@H](C)CO 2230a_100000737577_100000211840 [0,1,1,0,0,0|1,0,0]=3 1983 B13R1.15 Cc1cccc(c1)CN[C@H](C)CO 270004a_100000737577_100000211157 [0,1,1,0,0,0|1,0,0]=3 1984 B13R1.15 Cc1cccc(c1)COC(C)C#N 34a_100011218135_100000211840 [0,1,1,0,0,0|1,0,1]=4 1985 B13R1.15 Cc1cccc(c1)COC(C)C#N 7a_100011217746_100000703298 [0,1,1,0,0,0|1,0,1]=4 1986 B13R1.15 Cc1cccc(c1)COC(C)CF 34a_100016041109_100000211840 [0,1,1,0,0,0|1,0,0]=3 1987 B13R1.15 Cc1cccc(c1)COC(C)CF 7a_100016041109_100000211840 [0,1,1,0,0,0|1,0,0]=3 1988 B13R1.15 Cc1cccc(c1)COC(C)CN 34a_100000210904_100000211840 [0,1,1,0,0,0|1,0,0]=3 1989 B13R1.15 Cc1cccc(c1)COC(C)CO 34a_100011217746_100012180447 [0,1,1,0,0,0|0,0,0]=2 1990 B13R1.15 Cc1cccc(c1)COC(C)CO 7a_100011217746_100012180447 [0,1,1,0,0,0|0,0,0]=2 1991 B13R1.15 Cc1cccc(c1)CSC(C)CO 62a_100012180447_100000211840 [0,1,1,0,0,0|0,1,0]=3 1992 B13R1.15 Cc1cccc(c1)CS[C@H](C)CO 62a_100000211840_100016084084 [0,1,1,0,0,0|0,1,0]=3 1993 B13R1.15 Cc1cccc(c1)CS[C@H](C)CO 62a_100016084084_100000211840 [0,1,1,0,0,0|0,1,0]=3 1994 B13R1.15 Cc1cccc(c1)NC[C@@H](C)CO 2230a_100000188690_100000059175 [0,1,1,0,0,0|2,0,0]=4 1995 B13R1.15 Cc1cccc(c1)NC[C@@H](C)CO 34a_100000188690_100000059175 [0,1,1,0,0,0|2,0,0]=4 1996 B13R1.15 Cc1cccc(c1)OC[C@@H](C)CO 34a_100000210337_100000059175 [0,1,1,0,0,0|2,0,0]=4 1997 B13R1.15 Cc1cccc(c1)OC[C@@H](C)CO 7a_100000210337_100000059175 [0,1,1,0,0,0|2,0,0]=4 1998 B13R1.15 Cc1cccc(c1)SC[C@@H](C)CO 62a_100000059175_100011215228 [0,1,1,0,0,0|2,0,0]=4 1999 B13R1.15 Cc1cccc(c1)SC[C@@H](C)CO 62a_100011215228_100000059175 [0,1,1,0,0,0|2,0,0]=4 2000 B13R1.15 Cc1cccc(n1)CNC(C)CO 34a_100000701342_100012180447 [0,1,1,0,0,0|2,0,0]=4 2001 B13R1.15 Cc1cccc(n1)CN[C@H](C)CO 207a_100000737577_100011215050 [0,1,1,0,0,0|2,0,0]=4 2002 B13R1.15 Cc1cccc(n1)CN[C@H](C)CO 2230a_100000737577_100000757606 [0,1,1,0,0,0|2,0,0]=4 2003 B13R1.15 Cc1cccc(n1)CN[C@H](C)CO 270004a_100000737577_100011215050 [0,1,1,0,0,0|2,0,0]=4 2004 B13R1.15 Cc1cccc(n1)COC(C)CF 34a_100016041109_100000757606 [0,1,1,0,0,0|2,0,0]=4 2005 B13R1.15 Cc1cccc(n1)COC(C)CF 7a_100016041109_100000757606 [0,1,1,0,0,0|2,0,0]=4 2006 B13R1.15 Cc1cccc(n1)COC(C)CN 34a_100000210904_100000757606 [0,1,1,0,0,0|2,0,0]=4 2007 B13R1.15 Cc1cccc(n1)COC(C)CO 34a_100000690600_100012180447 [0,1,1,0,0,0|1,0,0]=3 2008 B13R1.15 Cc1cccc(n1)CSC(C)CO 62a_100012180447_100000757606 [0,1,1,0,0,0|1,1,0]=4 2009 B13R1.15 Cc1cccc(n1)CS[C@H](C)CO 62a_100000757606_100016084084 [0,1,1,0,0,0|1,1,0]=4 2010 B13R1.15 Cc1cccc(n1)CS[C@H](C)CO 62a_100016084084_100000757606 [0,1,1,0,0,0|1,1,0]=4 2011 B13R1.15 Cc1ccnc(c1)CN[C@H](C)CO 207a_100000737577_100011361488 [0,1,1,0,0,0|2,0,0]=4 2012 B13R1.15 Cc1ccnc(c1)CN[C@H](C)CO 2230a_100000737577_100000718516 [0,1,1,0,0,0|2,0,0]=4 2013 B13R1.15 Cc1ccnc(c1)CN[C@H](C)CO 270004a_100000737577_100011361488 [0,1,1,0,0,0|2,0,0]=4 2014 B13R1.15 Cc1ccnc(c1)COC(C)CF 34a_100016041109_100000718516 [0,1,1,0,0,0|2,0,0]=4 2015 B13R1.15 Cc1ccnc(c1)COC(C)CF 7a_100016041109_100000718516 [0,1,1,0,0,0|2,0,0]=4 2016 B13R1.15 Cc1ccnc(c1)COC(C)CN 34a_100000210904_100000718516 [0,1,1,0,0,0|2,0,0]=4 2017 B13R1.15 Cc1ccnc(c1)COC(C)CO 34a_100011998357_100012180447 [0,1,1,0,0,0|1,0,0]=3 2018 B13R1.15 Cc1ccnc(c1)CSC(C)CO 62a_100012180447_100000718516 [0,1,1,0,0,0|1,1,0]=4 2019 B13R1.15 Cc1ccnc(c1)CS[C@H](C)CO 62a_100000718516_100016084084 [0,1,1,0,0,0|1,1,0]=4 2020 B13R1.15 Cc1ccnc(c1)CS[C@H](C)CO 62a_100016084084_100000718516 [0,1,1,0,0,0|1,1,0]=4 2021 B13R1.15 Cc1cncc(c1)CNC(C)CO 2230a_100000692839_100012180447 [0,1,1,0,0,0|2,0,0]=4 2022 B13R1.15 Cc1cncc(c1)CNC(C)CO 34a_100000692839_100012180447 [0,1,1,0,0,0|2,0,0]=4 2023 B13R1.15 Cc1cncc(c1)CN[C@H](C)CO 207a_100000737577_100011998712 [0,1,1,0,0,0|2,0,0]=4 2024 B13R1.15 Cc1cncc(c1)CN[C@H](C)CO 2230a_100000737577_100000716715 [0,1,1,0,0,0|2,0,0]=4 2025 B13R1.15 Cc1cncc(c1)CN[C@H](C)CO 270004a_100000737577_100011998712 [0,1,1,0,0,0|2,0,0]=4 2026 B13R1.15 Cc1cncc(c1)COC(C)CF 34a_100016041109_100000716715 [0,1,1,0,0,0|2,0,0]=4 2027 B13R1.15 Cc1cncc(c1)COC(C)CF 7a_100016041109_100000716715 [0,1,1,0,0,0|2,0,0]=4 2028 B13R1.15 Cc1cncc(c1)COC(C)CN 34a_100000210904_100000716715 [0,1,1,0,0,0|2,0,0]=4 2029 B13R1.15 Cc1cncc(c1)COC(C)CO 34a_100011998709_100012180447 [0,1,1,0,0,0|1,0,0]=3 2030 B13R1.15 Cc1cncc(c1)COC(C)CO 7a_100011998709_100012180447 [0,1,1,0,0,0|1,0,0]=3 2031 B13R1.15 Cc1cncc(c1)CSC(C)CO 62a_100012180447_100000716715 [0,1,1,0,0,0|1,1,0]=4 2032 B13R1.15 Cc1cncc(c1)CS[C@H](C)CO 62a_100000716715_100016084084 [0,1,1,0,0,0|1,1,0]=4 2033 B13R1.15 Cc1cncc(c1)CS[C@H](C)CO 62a_100016084084_100000716715 [0,1,1,0,0,0|1,1,0]=4 2034 B13R1.15 Cc1cnnc(c1)COC(C)CO 34a_100016212594_100012180447 [0,1,1,0,0,0|2,0,0]=4 2035 B13R1.42 C#CCC(C)OCc1ccccc1 34a_100000685586_100015291786 [0,1,1,0,0,0|1,0,0]=3 2036 B13R1.42 C#CCC(C)OCc1ccccc1 7a_100000685586_100000211182 [0,1,1,0,0,0|1,0,0]=3 2037 B13R1.42 C#CCC(C)OCc1ccccn1 34a_100000685586_100000721315 [0,1,1,0,0,0|2,0,0]=4 2038 B13R1.42 C#CCC(C)OCc1ccccn1 7a_100000685586_100000721315 [0,1,1,0,0,0|2,0,0]=4 2039 B13R1.42 C#CCC(C)OCc1cccnc1 34a_100000685586_100000733263 [0,1,1,0,0,0|2,0,0]=4 2040 B13R1.42 C#CCC(C)OCc1cccnc1 7a_100000685586_100000741622 [0,1,1,0,0,0|2,0,0]=4 2041 B13R1.42 C#CCC(C)OCc1ccncc1 7a_100000685586_100015193705 [0,1,1,0,0,0|2,0,0]=4 2042 B13R1.42 C/C=C/C(C)OCc1ccccc1 34a_200102604097_100015291786 [0,1,1,0,0,0|1,0,1]=4 2043 B13R1.42 C=CC[C@@H](C)OCc1ccccc1 34a_100000731007_100015291786 [0,1,1,0,0,0|1,0,0]=3 2044 B13R1.42 C=CC[C@@H](C)OCc1ccccc1 7a_100000731007_100000211182 [0,1,1,0,0,0|1,0,0]=3 2045 B13R1.42 C=CC[C@@H](C)OCc1ccccn1 34a_100000731007_100000721315 [0,1,1,0,0,0|2,0,0]=4 2046 B13R1.42 C=CC[C@@H](C)OCc1ccccn1 7a_100000731007_100000721315 [0,1,1,0,0,0|2,0,0]=4 2047 B13R1.42 C=CC[C@@H](C)OCc1cccnc1 34a_100000731007_100000733263 [0,1,1,0,0,0|2,0,0]=4 2048 B13R1.42 C=CC[C@@H](C)OCc1cccnc1 7a_100000731007_100000741622 [0,1,1,0,0,0|2,0,0]=4 2049 B13R1.42 C=CC[C@@H](C)OCc1ccncc1 7a_100000731007_100015193705 [0,1,1,0,0,0|2,0,0]=4 2050 B13R1.42 CC#CC(C)OCc1ccccc1 34a_100011216543_100015291786 [0,1,1,0,0,0|1,0,1]=4 2051 B13R1.42 CC(CC#N)NCc1ccccc1 2230a_100015324214_100009813641 [0,1,1,0,0,0|2,0,0]=4 2052 B13R1.42 CC(CC#N)OCc1ccccc1 7a_100000210790_100009813641 [0,1,1,0,0,0|1,0,0]=3 2053 B13R1.42 CC(CC#N)SCc1ccccc1 62a_100000211182_100009813641 [0,1,1,0,0,0|1,1,0]=4 2054 B13R1.42 CC(CC#N)SCc1ccccc1 62a_100009813641_100015291786 [0,1,1,0,0,0|1,1,0]=4 2055 B13R1.42 CC(CCBr)OCc1ccccc1 34a_100012276601_100015291786 [0,1,1,0,0,0|1,0,0]=3 2056 B13R1.42 CC(CCBr)OCc1ccccn1 34a_100012276601_100000721315 [0,1,1,0,0,0|2,0,0]=4 2057 B13R1.42 CC(CCBr)OCc1cccnc1 34a_100012276601_100000733263 [0,1,1,0,0,0|2,0,0]=4 2058 B13R1.42 CC(CCO)NCc1ccccc1 2230a_100015324214_100009893172 [0,1,1,0,0,0|1,0,0]=3 2059 B13R1.42 CC(CCO)NCc1ccccc1 34a_100015324214_100009893172 [0,1,1,0,0,0|1,0,0]=3 2060 B13R1.42 CC(CCO)OCc1ccccc1 34a_100000210790_100009893172 [0,1,1,0,0,0|0,0,0]=2 2061 B13R1.42 CC(CCO)OCc1ccccc1 7a_100000210790_100009893172 [0,1,1,0,0,0|0,0,0]=2 2062 B13R1.42 CC(CCO)SCc1ccccc1 62a_100000211182_100009893172 [0,1,1,0,0,0|0,1,0]=3 2063 B13R1.42 CC(CCO)SCc1ccccc1 62a_100009893172_100015291786 [0,1,1,0,0,0|0,1,0]=3 2064 B13R1.42 CC(CCO)SCc1ccccn1 62a_100000721315_100009893172 [0,1,1,0,0,0|1,1,0]=4 2065 B13R1.42 CC(CCO)SCc1ccccn1 62a_100009893172_100000721315 [0,1,1,0,0,0|1,1,0]=4 2066 B13R1.42 CC(CCO)SCc1cccnc1 62a_100000741622_100009893172 [0,1,1,0,0,0|1,1,0]=4 2067 B13R1.42 CC(CCO)SCc1cccnc1 62a_100009893172_100000741622 [0,1,1,0,0,0|1,1,0]=4 2068 B13R1.42 CC(CCO)SCc1ccncc1 62a_100009893172_100015193705 [0,1,1,0,0,0|1,1,0]=4 2069 B13R1.42 CC(CCO)SCc1ccncc1 62a_100015193705_100009893172 [0,1,1,0,0,0|1,1,0]=4 2070 B13R1.42 CC(CCc1ccccc1)NCF 34a_100000210798_100015361967 [0,1,1,0,0,0|2,0,0]=4 2071 B13R1.42 CCCC(C)NCc1ccccc1 207a_100000741246_100015611070 [0,1,1,0,0,0|2,0,0]=4 2072 B13R1.42 CCCC(C)NCc1ccccc1 2230a_100000741246_100015291786 [0,1,1,0,0,0|2,0,0]=4 2073 B13R1.42 CCCC(C)NCc1ccccc1 2230a_100015324214_100000766640 [0,1,1,0,0,0|2,0,0]=4 2074 B13R1.42 CCCC(C)NCc1ccccc1 270004a_100000741246_100015611070 [0,1,1,0,0,0|2,0,0]=4 2075 B13R1.42 CCCC(C)NCc1ccccc1 270004a_100015324214_100000211909 [0,1,1,0,0,0|2,0,0]=4 2076 B13R1.42 CCCC(C)NCc1ccccc1 34a_100015324214_100000766640 [0,1,1,0,0,0|2,0,0]=4 2077 B13R1.42 CCCC(C)OCc1ccccc1 34a_100000210790_100000766640 [0,1,1,0,0,0|1,0,0]=3 2078 B13R1.42 CCCC(C)OCc1ccccc1 34a_100000764384_100015291786 [0,1,1,0,0,0|1,0,0]=3 2079 B13R1.42 CCCC(C)OCc1ccccc1 7a_100000210790_100000766640 [0,1,1,0,0,0|1,0,0]=3 2080 B13R1.42 CCCC(C)OCc1ccccc1 7a_100000764384_100000211182 [0,1,1,0,0,0|1,0,0]=3 2081 B13R1.42 CCCC(C)OCc1ccccn1 34a_100000764384_100000721315 [0,1,1,0,0,0|2,0,0]=4 2082 B13R1.42 CCCC(C)OCc1ccccn1 7a_100000764384_100000721315 [0,1,1,0,0,0|2,0,0]=4 2083 B13R1.42 CCCC(C)OCc1cccnc1 34a_100000764384_100000733263 [0,1,1,0,0,0|2,0,0]=4 2084 B13R1.42 CCCC(C)OCc1cccnc1 7a_100000764384_100000741622 [0,1,1,0,0,0|2,0,0]=4 2085 B13R1.42 CCCC(C)OCc1ccncc1 7a_100000764384_100015193705 [0,1,1,0,0,0|2,0,0]=4 2086 B13R1.42 CCCC(C)SCc1ccccc1 62a_100000211182_100000766640 [0,1,1,0,0,0|1,1,0]=4 2087 B13R1.42 CCCC(C)SCc1ccccc1 62a_100000766640_100015291786 [0,1,1,0,0,0|1,1,0]=4 2088 B13R1.42 CCNC(C)CCc1ccccc1 2230a_100000210798_100000210202 [0,1,1,0,0,0|2,0,0]=4 2089 B13R1.42 CCNC(C)CCc1ccccc1 270004a_100015525214_100000210092 [0,1,1,0,0,0|2,0,0]=4 2090 B13R1.42 CCNC(C)CCc1ccccc1 34a_100000210798_100000210202 [0,1,1,0,0,0|2,0,0]=4 2091 B13R1.42 CCO[C@@H](C)CCc1ccccc1 34a_100009815974_100000210202 [0,1,1,0,0,0|2,0,0]=4 2092 B13R1.42 CCO[C@@H](C)CCc1ccccc1 7a_100009815974_100000210202 [0,1,1,0,0,0|2,0,0]=4 2093 B13R1.42 CN(CCO)CCc1ccccc1 2230a_100000207497_100000211926 [0,1,1,0,0,0|2,0,0]=4 2094 B13R1.42 CN(CCO)CCc1ccccc1 2230a_100000210263_100000765856 [0,1,1,0,0,0|2,0,0]=4 2095 B13R1.42 CN(CCO)CCc1ccccc1 269982a_100000207497_100000211926 [0,1,1,0,0,0|2,0,0]=4 2096 B13R1.42 CN(CCO)CCc1ccccc1 269982a_100000210263_100000765856 [0,1,1,0,0,0|2,0,0]=4 2097 B13R1.42 COCC(=O)OCc1ccccc1 34a_100138415774_100000753625 [0,1,1,0,0,0|1,0,1]=4 2098 B13R1.42 COCC(C)NCc1ccccc1 2230a_100015324214_100000765312 [0,1,1,0,0,0|1,0,0]=3 2099 B13R1.42 COCC(C)NCc1ccccc1 270004a_100015324214_100000749346 [0,1,1,0,0,0|1,0,0]=3 2100 B13R1.42 COCC(C)NCc1ccccc1 34a_100015324214_100000765312 [0,1,1,0,0,0|1,0,0]=3 2101 B13R1.42 COCC(C)NCc1ccccn1 270004a_100000210449_100000749346 [0,1,1,0,0,0|2,0,0]=4 2102 B13R1.42 COCC(C)NCc1cccnc1 270004a_100000210453_100000749346 [0,1,1,0,0,0|2,0,0]=4 2103 B13R1.42 COCC(C)OCc1ccccc1 34a_100000210790_100000765312 [0,1,1,0,0,0|0,0,0]=2 2104 B13R1.42 COCC(C)OCc1ccccc1 7a_100000210790_100000765312 [0,1,1,0,0,0|0,0,0]=2 2105 B13R1.42 COCC(C)SCc1ccccc1 62a_100000211182_100000765312 [0,1,1,0,0,0|0,1,0]=3 2106 B13R1.42 COCC(C)SCc1ccccc1 62a_100000765312_100015291786 [0,1,1,0,0,0|0,1,0]=3 2107 B13R1.42 COCC(C)SCc1ccccn1 62a_100000721315_100000765312 [0,1,1,0,0,0|1,1,0]=4 2108 B13R1.42 COCC(C)SCc1ccccn1 62a_100000765312_100000721315 [0,1,1,0,0,0|1,1,0]=4 2109 B13R1.42 COCC(C)SCc1cccnc1 62a_100000741622_100000765312 [0,1,1,0,0,0|1,1,0]=4 2110 B13R1.42 COCC(C)SCc1cccnc1 62a_100000765312_100000741622 [0,1,1,0,0,0|1,1,0]=4 2111 B13R1.42 COCC(C)SCc1ccncc1 62a_100000765312_100015193705 [0,1,1,0,0,0|1,1,0]=4 2112 B13R1.42 COCC(C)SCc1ccncc1 62a_100015193705_100000765312 [0,1,1,0,0,0|1,1,0]=4 2113 B13R1.42 COCN(C)CCc1ccccc1 2230a_100000207497_100000766300 [0,1,1,0,0,0|2,0,0]=4 2114 B13R1.42 COCN(C)CCc1ccccc1 269982a_100000207497_100000766300 [0,1,1,0,0,0|2,0,0]=4 2115 B13R1.42 COC[C@@H](C)NCc1ccccc1 207a_100000764878_100015611070 [0,1,1,0,0,0|1,0,0]=3 2116 B13R1.42 COC[C@@H](C)NCc1ccccc1 2230a_100000764878_100015291786 [0,1,1,0,0,0|1,0,0]=3 2117 B13R1.42 COC[C@@H](C)NCc1ccccc1 270004a_100000764878_100015611070 [0,1,1,0,0,0|1,0,0]=3 2118 B13R1.42 COC[C@@H](C)NCc1ccccc1 34a_100000762708_200000210301 [0,1,1,0,0,0|1,0,0]=3 2119 B13R1.42 COC[C@@H](C)NCc1ccccn1 207a_100000764878_100000209966 [0,1,1,0,0,0|2,0,0]=4 2120 B13R1.42 COC[C@@H](C)NCc1ccccn1 2230a_100000764878_100000721315 [0,1,1,0,0,0|2,0,0]=4 2121 B13R1.42 COC[C@@H](C)NCc1ccccn1 270004a_100000764878_100000209966 [0,1,1,0,0,0|2,0,0]=4 2122 B13R1.42 COC[C@@H](C)NCc1cccnc1 207a_100000764878_100000209961 [0,1,1,0,0,0|2,0,0]=4 2123 B13R1.42 COC[C@@H](C)NCc1cccnc1 2230a_100000764878_100000741622 [0,1,1,0,0,0|2,0,0]=4 2124 B13R1.42 COC[C@@H](C)NCc1cccnc1 270004a_100000764878_100000209961 [0,1,1,0,0,0|2,0,0]=4 2125 B13R1.42 COC[C@@H](C)NCc1ccncc1 207a_100000764878_100000186114 [0,1,1,0,0,0|2,0,0]=4 2126 B13R1.42 COC[C@@H](C)NCc1ccncc1 2230a_100000764878_100015193705 [0,1,1,0,0,0|2,0,0]=4 2127 B13R1.42 COC[C@@H](C)OCc1ccccc1 34a_100011934205_100015291786 [0,1,1,0,0,0|0,0,0]=2 2128 B13R1.42 COC[C@@H](C)OCc1ccccn1 34a_100011934205_100000721315 [0,1,1,0,0,0|1,0,0]=3 2129 B13R1.42 COC[C@@H](C)OCc1cccnc1 34a_100011934205_100000733263 [0,1,1,0,0,0|1,0,0]=3 2130 B13R1.42 COC[C@@H](C)OCc1cccnn1 34a_100011934205_100016990269 [0,1,1,0,0,0|2,0,0]=4 2131 B13R1.42 COC[C@@H](C)OCc1cnccn1 34a_100011934205_100016995436 [0,1,1,0,0,0|2,0,0]=4 2132 B13R1.42 COC[C@@H](C)OCc1cncnc1 34a_100011934205_100015196519 [0,1,1,0,0,0|2,0,0]=4 2133 B13R1.42 COC[C@@H](C)OCc1ncccn1 34a_100011934205_100000703007 [0,1,1,0,0,0|2,0,0]=4 2134 B13R1.42 CSCC(C)NCc1ccccc1 270004a_100015324214_100011216314 [0,1,1,0,0,0|1,1,0]=4 2135 B13R1.42 C[C@@H](CC#N)NCc1ccccc1 207a_100016994482_100015611070 [0,1,1,0,0,0|2,0,0]=4 2136 B13R1.42 C[C@@H](CC#N)NCc1ccccc1 2230a_100016994482_100015291786 [0,1,1,0,0,0|2,0,0]=4 2137 B13R1.42 C[C@@H](CCc1ccccc1)OCF 34a_100009815974_100015361967 [0,1,1,0,0,0|2,0,0]=4 2138 B13R1.42 C[C@@H](CCc1ccccc1)OCF 7a_100009815974_100015361967 [0,1,1,0,0,0|2,0,0]=4 2139 B13R1.42 C[C@H](CCO)NCc1ccccc1 207a_100000706166_100015611070 [0,1,1,0,0,0|1,0,0]=3 2140 B13R1.42 C[C@H](CCO)NCc1ccccc1 2230a_100000706166_100015291786 [0,1,1,0,0,0|1,0,0]=3 2141 B13R1.42 C[C@H](CCO)NCc1ccccc1 270004a_100000706166_100015611070 [0,1,1,0,0,0|1,0,0]=3 2142 B13R1.42 C[C@H](CCO)NCc1ccccc1 34a_100000706166_100015291786 [0,1,1,0,0,0|1,0,0]=3 2143 B13R1.42 C[C@H](CCO)NCc1ccccn1 207a_100000706166_100000209966 [0,1,1,0,0,0|2,0,0]=4 2144 B13R1.42 C[C@H](CCO)NCc1ccccn1 2230a_100000706166_100000721315 [0,1,1,0,0,0|2,0,0]=4 2145 B13R1.42 C[C@H](CCO)NCc1ccccn1 270004a_100000706166_100000209966 [0,1,1,0,0,0|2,0,0]=4 2146 B13R1.42 C[C@H](CCO)NCc1ccccn1 34a_100000706166_100000721315 [0,1,1,0,0,0|2,0,0]=4 2147 B13R1.42 C[C@H](CCO)NCc1cccnc1 207a_100000706166_100000209961 [0,1,1,0,0,0|2,0,0]=4 2148 B13R1.42 C[C@H](CCO)NCc1cccnc1 2230a_100000706166_100000741622 [0,1,1,0,0,0|2,0,0]=4 2149 B13R1.42 C[C@H](CCO)NCc1cccnc1 270004a_100000706166_100000209961 [0,1,1,0,0,0|2,0,0]=4 2150 B13R1.42 C[C@H](CCO)NCc1cccnc1 34a_100000706166_100000733263 [0,1,1,0,0,0|2,0,0]=4 2151 B13R1.42 C[C@H](CCO)NCc1ccncc1 207a_100000706166_100000186114 [0,1,1,0,0,0|2,0,0]=4 2152 B13R1.42 C[C@H](CCO)NCc1ccncc1 2230a_100000706166_100015193705 [0,1,1,0,0,0|2,0,0]=4 2153 B13R1.42 C[C@H](CO[13CH3])NCc1ccccc1 34a_100000762708_200025704644 [0,1,1,0,0,0|1,0,0]=3 2154 B13R1.135 CC(CO)N(C)Cc1ccccc1 2230a_100000186898_100012180447 [0,1,1,0,0,0|1,0,0]=3 2155 B13R1.135 CC(CO)N(C)Cc1ccccc1 2230a_100000693034_100015291786 [0,1,1,0,0,0|1,0,0]=3 2156 B13R1.135 CC(CO)N(C)Cc1ccccc1 269982a_100000693034_100000211182 [0,1,1,0,0,0|1,0,0]=3 2157 B13R1.135 CC(CO)N(C)Cc1ccccc1 270004a_100000693034_100015611070 [0,1,1,0,0,0|1,0,0]=3 2158 B13R1.135 CC(CO)N(C)Cc1ccccn1 2230a_100000207498_100012180447 [0,1,1,0,0,0|2,0,0]=4 2159 B13R1.135 CC(CO)N(C)Cc1ccccn1 2230a_100000693034_100000721315 [0,1,1,0,0,0|2,0,0]=4 2160 B13R1.135 CC(CO)N(C)Cc1ccccn1 269982a_100000693034_100000721315 [0,1,1,0,0,0|2,0,0]=4 2161 B13R1.135 CC(CO)N(C)Cc1ccccn1 270004a_100000693034_100000209966 [0,1,1,0,0,0|2,0,0]=4 2162 B13R1.135 CC(CO)N(C)Cc1cccnc1 2230a_100000184577_100012180447 [0,1,1,0,0,0|2,0,0]=4 2163 B13R1.135 CC(CO)N(C)Cc1cccnc1 2230a_100000693034_100000741622 [0,1,1,0,0,0|2,0,0]=4 2164 B13R1.135 CC(CO)N(C)Cc1cccnc1 269982a_100000693034_100000733263 [0,1,1,0,0,0|2,0,0]=4 2165 B13R1.135 CC(CO)N(C)Cc1cccnc1 270004a_100000693034_100000209961 [0,1,1,0,0,0|2,0,0]=4 2166 B13R1.135 CC(CO)N(C)Cc1ccncc1 2230a_100000187231_100012180447 [0,1,1,0,0,0|2,0,0]=4 2167 B13R1.135 CC(CO)N(C)Cc1ccncc1 2230a_100000693034_100015193705 [0,1,1,0,0,0|2,0,0]=4 2168 B13R1.135 CC(CO)N(C)Cc1ccncc1 269982a_100000693034_100015193705 [0,1,1,0,0,0|2,0,0]=4 2169 B13R1.135 CCC(C)C(=O)Cc1ccccc1 1458a_100011192722_100015291786 [0,1,1,0,0,0|2,0,0]=4 2170 B13R1.135 CCC(C)N(C)Cc1ccccc1 2230a_100000186898_100000758301 [0,1,1,0,0,0|2,0,0]=4 2171 B13R1.135 CCC(C)N(C)Cc1ccccc1 2230a_100000693180_200000210301 [0,1,1,0,0,0|2,0,0]=4 2172 B13R1.135 CCC(C)N(C)Cc1ccccc1 2230a_100000741768_100015291786 [0,1,1,0,0,0|2,0,0]=4 2173 B13R1.135 CCC(C)N(C)Cc1ccccc1 269982a_100000186898_100000758301 [0,1,1,0,0,0|2,0,0]=4 2174 B13R1.135 CCC(C)N(C)Cc1ccccc1 269982a_100000693180_200000210301 [0,1,1,0,0,0|2,0,0]=4 2175 B13R1.135 CCC(C)N(C)Cc1ccccc1 269982a_100000741768_100000211182 [0,1,1,0,0,0|2,0,0]=4 2176 B13R1.135 CCC(C)N(C)Cc1ccccc1 270004a_100000741768_100015611070 [0,1,1,0,0,0|2,0,0]=4 2177 B13R1.135 CCC(C)N([13CH3])Cc1ccccc1 2230a_100000693180_200025704644 [0,1,1,0,0,0|2,0,0]=4 2178 B13R1.135 CCC(C)N([13CH3])Cc1ccccc1 269982a_100000693180_200025704644 [0,1,1,0,0,0|2,0,0]=4 2179 B13R1.135 C[C@H](CO)N(C)Cc1ccccc1 2230a_100000762708_200000210301 [0,1,1,0,0,0|1,0,0]=3 2180 B13R1.135 C[C@H](CO)N(C)Cc1ccccc1 269982a_100000186898_100016084084 [0,1,1,0,0,0|1,0,0]=3 2181 B13R1.135 C[C@H](CO)N(C)Cc1ccccc1 269982a_100000762708_200000210301 [0,1,1,0,0,0|1,0,0]=3 2182 B13R1.135 C[C@H](CO)N(C)Cc1ccccn1 269982a_100000207498_100016084084 [0,1,1,0,0,0|2,0,0]=4 2183 B13R1.135 C[C@H](CO)N(C)Cc1cccnc1 269982a_100000184577_100016084084 [0,1,1,0,0,0|2,0,0]=4 2184 B13R1.135 C[C@H](CO)N(C)Cc1ccncc1 269982a_100000187231_100016084084 [0,1,1,0,0,0|2,0,0]=4 2185 B13R1.135 C[C@H](CO)N([13CH3])Cc1ccccc1 2230a_100000762708_200025704644 [0,1,1,0,0,0|1,0,0]=3 2186 B13R1.135 C[C@H](CO)N([13CH3])Cc1ccccc1 269982a_100000762708_200025704644 [0,1,1,0,0,0|1,0,0]=3 2187 B13R1.135 O=C(Cc1ccccc1)C(O)CO 1458a_100011215603_100015291786 [0,1,1,0,0,0|2,0,0]=4 2188 B13R1.254 C#CC(C)(C)OCc1ccccc1 34a_100000189450_100015291786 [0,1,1,0,0,0|1,0,1]=4 2189 B13R1.254 C#CC(C)(C)OCc1ccccc1 34a_100000210790_100000038118 [0,1,1,0,0,0|1,0,1]=4 2190 B13R1.254 C#CC(C)(C)OCc1ccccc1 7a_100000189450_100000211182 [0,1,1,0,0,0|1,0,1]=4 2191 B13R1.254 C=CC(C)(C)OCc1ccccc1 34a_100011215311_100015291786 [0,1,1,0,0,0|1,0,1]=4 2192 B13R1.254 C=CC(C)(C)OCc1ccccc1 7a_100011215311_100000211182 [0,1,1,0,0,0|1,0,1]=4 2193 B13R1.254 CC(C)(C#N)OCc1ccccc1 34a_100000210790_100011162410 [0,1,1,0,0,0|1,0,1]=4 2194 B13R1.254 CC(C)(C#N)OCc1ccccc1 34a_200015195151_100015291786 [0,1,1,0,0,0|1,0,1]=4 2195 B13R1.254 CC(C)(C#N)OCc1ccccc1 7a_100000210790_100011162410 [0,1,1,0,0,0|1,0,1]=4 2196 B13R1.254 CC(C)(CCl)OCc1ccccc1 7a_100000764493_100000211182 [0,1,1,0,0,0|1,0,0]=3 2197 B13R1.254 CC(C)(CCl)OCc1ccccn1 7a_100000764493_100000721315 [0,1,1,0,0,0|2,0,0]=4 2198 B13R1.254 CC(C)(CCl)OCc1cccnc1 7a_100000764493_100000741622 [0,1,1,0,0,0|2,0,0]=4 2199 B13R1.254 CC(C)(CCl)OCc1ccncc1 7a_100000764493_100015193705 [0,1,1,0,0,0|2,0,0]=4 2200 B13R1.254 CC(C)(CO)CNc1ccccc1 34a_100000106764_100009813988 [0,1,1,0,0,0|2,0,0]=4 2201 B13R1.254 CC(C)(CO)COc1ccccc1 34a_100000210340_100009813988 [0,1,1,0,0,0|2,0,0]=4 2202 B13R1.254 CC(C)(CO)COc1ccccc1 7a_100000210340_100009813988 [0,1,1,0,0,0|2,0,0]=4 2203 B13R1.254 CC(C)(CO)CSc1ccccc1 62a_100000719477_100009813988 [0,1,1,0,0,0|2,0,0]=4 2204 B13R1.254 CC(C)(CO)CSc1ccccc1 62a_100009813988_100000041952 [0,1,1,0,0,0|2,0,0]=4 2205 B13R1.254 CC(C)(CO)NCc1ccccc1 207a_100000210608_100015611070 [0,1,1,0,0,0|1,0,0]=3 2206 B13R1.254 CC(C)(CO)NCc1ccccc1 2230a_100000210608_100015291786 [0,1,1,0,0,0|1,0,0]=3 2207 B13R1.254 CC(C)(CO)NCc1ccccc1 270004a_100000210608_100015611070 [0,1,1,0,0,0|1,0,0]=3 2208 B13R1.254 CC(C)(CO)NCc1ccccn1 207a_100000210608_100000209966 [0,1,1,0,0,0|2,0,0]=4 2209 B13R1.254 CC(C)(CO)NCc1ccccn1 2230a_100000210608_100000721315 [0,1,1,0,0,0|2,0,0]=4 2210 B13R1.254 CC(C)(CO)NCc1ccccn1 270004a_100000210608_100000209966 [0,1,1,0,0,0|2,0,0]=4 2211 B13R1.254 CC(C)(CO)NCc1cccnc1 207a_100000210608_100000209961 [0,1,1,0,0,0|2,0,0]=4 2212 B13R1.254 CC(C)(CO)NCc1cccnc1 2230a_100000210608_100000741622 [0,1,1,0,0,0|2,0,0]=4 2213 B13R1.254 CC(C)(CO)NCc1cccnc1 270004a_100000210608_100000209961 [0,1,1,0,0,0|2,0,0]=4 2214 B13R1.254 CC(C)(CO)NCc1ccncc1 207a_100000210608_100000186114 [0,1,1,0,0,0|2,0,0]=4 2215 B13R1.254 CC(C)(CO)NCc1ccncc1 2230a_100000210608_100015193705 [0,1,1,0,0,0|2,0,0]=4 2216 B13R1.254 CCC(C)(C)NCc1ccccc1 207a_100000211385_100015611070 [0,1,1,0,0,0|2,0,0]=4 2217 B13R1.254 CCC(C)(C)NCc1ccccc1 2230a_100000211385_100015291786 [0,1,1,0,0,0|2,0,0]=4 2218 B13R1.254 CCC(C)(C)NCc1ccccc1 270004a_100000211385_100015611070 [0,1,1,0,0,0|2,0,0]=4 2219 B13R1.254 CCC(C)(C)OCc1ccccc1 7a_100000210230_100000211182 [0,1,1,0,0,0|1,0,0]=3 2220 B13R1.254 CCC(C)(C)OCc1ccccc1 7a_100000210790_100000210677 [0,1,1,0,0,0|1,0,0]=3 2221 B13R1.254 CCC(C)(C)OCc1ccccn1 7a_100000210230_100000721315 [0,1,1,0,0,0|2,0,0]=4 2222 B13R1.254 CCC(C)(C)OCc1cccnc1 7a_100000210230_100000741622 [0,1,1,0,0,0|2,0,0]=4 2223 B13R1.254 CCC(C)(C)OCc1ccncc1 7a_100000210230_100015193705 [0,1,1,0,0,0|2,0,0]=4 2224 B13R1.254 CCC(C)(C)SCc1ccccc1 62a_100000032637_100015291786 [0,1,1,0,0,0|1,1,0]=4 2225 B13R1.254 CCC(C)(C)SCc1ccccc1 62a_100000211182_100000032637 [0,1,1,0,0,0|1,1,0]=4 2226 B13R1.254 OCC(F)(F)SCc1ccccc1 62a_100000211182_100011217949 [0,1,1,0,0,0|1,1,0]=4 2227 B13R1.254 OCC(F)(F)SCc1ccccc1 62a_100011217949_100015291786 [0,1,1,0,0,0|1,1,0]=4 2228 B13R1.351 CC(=O)C(C)OCc1ccccc1 34a_100000212229_100015291786 [0,1,1,0,0,0|0,0,2]=4 2229 B13R1.351 CC(=O)C(C)OCc1ccccc1 7a_100000210790_100000179758 [0,1,1,0,0,0|0,0,2]=4 2230 B13R1.351 CC(=O)[C@H](C)OCc1ccccc1 1458a_100000703211_200000210301 [0,1,1,0,0,0|0,0,2]=4 2231 B13R1.351 CC(C)C(C)NCc1ccccc1 207a_100000211541_100015611070 [0,1,1,0,0,0|2,0,0]=4 2232 B13R1.351 CC(C)C(C)NCc1ccccc1 2230a_100000211541_100015291786 [0,1,1,0,0,0|2,0,0]=4 2233 B13R1.351 CC(C)C(C)NCc1ccccc1 270004a_100000211541_100015611070 [0,1,1,0,0,0|2,0,0]=4 2234 B13R1.351 CC(C)C(C)OCc1ccccc1 7a_100000748068_100000211182 [0,1,1,0,0,0|1,0,0]=3 2235 B13R1.351 CC(C)C(C)OCc1ccccn1 7a_100000748068_100000721315 [0,1,1,0,0,0|2,0,0]=4 2236 B13R1.351 CC(C)C(C)OCc1cccnc1 7a_100000748068_100000741622 [0,1,1,0,0,0|2,0,0]=4 2237 B13R1.351 CC(C)C(C)OCc1ccncc1 7a_100000748068_100015193705 [0,1,1,0,0,0|2,0,0]=4 2238 B13R1.351 CC(OCc1ccccc1)C(=O)N 34a_100000210790_100000702099 [0,1,1,0,0,0|0,0,2]=4 2239 B13R1.351 CC(OCc1ccccc1)C(=O)N 7a_100000210790_100000702099 [0,1,1,0,0,0|0,0,2]=4 2240 B13R1.351 C[C@@H](OCc1ccccc1)C(=O)N 34a_100000731257_100015291786 [0,1,1,0,0,0|0,0,2]=4 2241 B13R1.351 C[C@@H](OCc1ccccc1)C(=O)N 7a_100000731257_100000211182 [0,1,1,0,0,0|0,0,2]=4 2242 B13R1.351 C[C@H](NCc1ccccc1)C(=O)O 269956a_100000743915_100015291786 [0,1,1,0,0,0|1,0,1]=4 2243 B13R1.351 C[C@H](OCc1ccccc1)C(=O)[13CH3] 1458a_100000703211_200025704644 [0,1,1,0,0,0|0,0,2]=4 2244 B13R1.351 C[C@H](OCc1ccccc1)C(=O)[O-] 7a_217856618621_100000211182 [0,1,1,0,0,0|0,0,2]=4 2245 B13R1.417 C#CC(CC)OCc1ccccc1 34a_100000758843_100015291786 [0,1,1,0,0,0|1,0,1]=4 2246 B13R1.417 C#CC(CC)OCc1ccccc1 7a_100000758843_100000211182 [0,1,1,0,0,0|1,0,1]=4 2247 B13R1.417 C=CC(CC)OCc1ccccc1 34a_100000766422_100015291786 [0,1,1,0,0,0|1,0,1]=4 2248 B13R1.417 C=CC(CC)OCc1ccccc1 7a_100000766422_100000211182 [0,1,1,0,0,0|1,0,1]=4 2249 B13R1.417 C=C[C@@H](CO)NCc1ccccc1 2230a_100016989147_100015291786 [0,1,1,0,0,0|1,0,1]=4 2250 B13R1.417 C=C[C@@H](CO)NCc1ccccc1 270004a_100016989147_100015611070 [0,1,1,0,0,0|1,0,1]=4 2251 B13R1.417 C=C[C@@H](CO)NCc1ccccc1 34a_100016989147_100015291786 [0,1,1,0,0,0|1,0,1]=4 2252 B13R1.417 CCC(CC)NCc1ccccc1 207a_100000199018_100015611070 [0,1,1,0,0,0|2,0,0]=4 2253 B13R1.417 CCC(CC)NCc1ccccc1 2230a_100000199018_100015291786 [0,1,1,0,0,0|2,0,0]=4 2254 B13R1.417 CCC(CC)NCc1ccccc1 270004a_100000199018_100015611070 [0,1,1,0,0,0|2,0,0]=4 2255 B13R1.417 CCC(CC)NCc1ccccc1 270004a_100015324214_100000210860 [0,1,1,0,0,0|2,0,0]=4 2256 B13R1.417 CCC(CC)OCc1ccccc1 7a_100000210790_100000210505 [0,1,1,0,0,0|1,0,0]=3 2257 B13R1.417 CCC(CC)OCc1ccccc1 7a_100000688536_100000211182 [0,1,1,0,0,0|1,0,0]=3 2258 B13R1.417 CCC(CC)OCc1ccccn1 7a_100000688536_100000721315 [0,1,1,0,0,0|2,0,0]=4 2259 B13R1.417 CCC(CC)OCc1cccnc1 7a_100000688536_100000741622 [0,1,1,0,0,0|2,0,0]=4 2260 B13R1.417 CCC(CC)OCc1ccncc1 7a_100000688536_100015193705 [0,1,1,0,0,0|2,0,0]=4 2261 B13R1.417 CCC(CC)SCc1ccccc1 62a_100000210505_100015291786 [0,1,1,0,0,0|1,1,0]=4 2262 B13R1.417 CCC(CC)SCc1ccccc1 62a_100000211182_100000210505 [0,1,1,0,0,0|1,1,0]=4 2263 B13R1.417 CCC(CCc1ccccc1)NC 270004a_106832991635_100011279265 [0,1,1,0,0,0|2,0,0]=4 2264 B13R1.417 CC[C@@H](CO)NCc1ccccc1 207a_100000709445_100015611070 [0,1,1,0,0,0|1,0,0]=3 2265 B13R1.417 CC[C@@H](CO)NCc1ccccc1 2230a_100000709445_100015291786 [0,1,1,0,0,0|1,0,0]=3 2266 B13R1.417 CC[C@@H](CO)NCc1ccccc1 270004a_100000709445_100015611070 [0,1,1,0,0,0|1,0,0]=3 2267 B13R1.417 CC[C@@H](CO)NCc1ccccn1 207a_100000709445_100000209966 [0,1,1,0,0,0|2,0,0]=4 2268 B13R1.417 CC[C@@H](CO)NCc1ccccn1 2230a_100000709445_100000721315 [0,1,1,0,0,0|2,0,0]=4 2269 B13R1.417 CC[C@@H](CO)NCc1ccccn1 270004a_100000709445_100000209966 [0,1,1,0,0,0|2,0,0]=4 2270 B13R1.417 CC[C@@H](CO)NCc1cccnc1 207a_100000709445_100000209961 [0,1,1,0,0,0|2,0,0]=4 2271 B13R1.417 CC[C@@H](CO)NCc1cccnc1 2230a_100000709445_100000741622 [0,1,1,0,0,0|2,0,0]=4 2272 B13R1.417 CC[C@@H](CO)NCc1cccnc1 270004a_100000709445_100000209961 [0,1,1,0,0,0|2,0,0]=4 2273 B13R1.417 CC[C@@H](CO)NCc1ccncc1 207a_100000709445_100000186114 [0,1,1,0,0,0|2,0,0]=4 2274 B13R1.417 CC[C@@H](CO)NCc1ccncc1 2230a_100000709445_100015193705 [0,1,1,0,0,0|2,0,0]=4 2275 B13R1.417 ClCC(CCl)OCc1ccccc1 7a_100000737055_100000211182 [0,1,1,0,0,0|1,0,0]=3 2276 B13R1.417 ClCC(CCl)OCc1ccccn1 7a_100000737055_100000721315 [0,1,1,0,0,0|2,0,0]=4 2277 B13R1.417 ClCC(CCl)OCc1cccnc1 7a_100000737055_100000741622 [0,1,1,0,0,0|2,0,0]=4 2278 B13R1.417 ClCC(CCl)OCc1ccncc1 7a_100000737055_100015193705 [0,1,1,0,0,0|2,0,0]=4 2279 B13R1.417 FCC(CF)OCc1ccccc1 34a_100000032261_100015291786 [0,1,1,0,0,0|1,0,0]=3 2280 B13R1.417 FCC(CF)OCc1ccccc1 7a_100000032261_100000211182 [0,1,1,0,0,0|1,0,0]=3 2281 B13R1.417 FCC(CF)OCc1ccccn1 34a_100000032261_100000721315 [0,1,1,0,0,0|2,0,0]=4 2282 B13R1.417 FCC(CF)OCc1ccccn1 7a_100000032261_100000721315 [0,1,1,0,0,0|2,0,0]=4 2283 B13R1.417 FCC(CF)OCc1cccnc1 34a_100000032261_100000733263 [0,1,1,0,0,0|2,0,0]=4 2284 B13R1.417 FCC(CF)OCc1cccnc1 7a_100000032261_100000741622 [0,1,1,0,0,0|2,0,0]=4 2285 B13R1.417 FCC(CF)OCc1ccncc1 7a_100000032261_100015193705 [0,1,1,0,0,0|2,0,0]=4 2286 B13R1.417 FC[C@@H](CCl)OCc1ccccc1 34a_100015614560_100015291786 [0,1,1,0,0,0|1,0,0]=3 2287 B13R1.417 FC[C@@H](CCl)OCc1ccccc1 7a_100015614560_100000211182 [0,1,1,0,0,0|1,0,0]=3 2288 B13R1.417 FC[C@@H](CCl)OCc1ccccn1 34a_100015614560_100000721315 [0,1,1,0,0,0|2,0,0]=4 2289 B13R1.417 FC[C@@H](CCl)OCc1ccccn1 7a_100015614560_100000721315 [0,1,1,0,0,0|2,0,0]=4 2290 B13R1.417 FC[C@@H](CCl)OCc1cccnc1 34a_100015614560_100000733263 [0,1,1,0,0,0|2,0,0]=4 2291 B13R1.417 FC[C@@H](CCl)OCc1cccnc1 7a_100015614560_100000741622 [0,1,1,0,0,0|2,0,0]=4 2292 B13R1.417 FC[C@@H](CCl)OCc1ccncc1 7a_100015614560_100015193705 [0,1,1,0,0,0|2,0,0]=4 2293 B13R1.417 NCC(CN)OCc1ccccc1 34a_100000031598_100015291786 [0,1,1,0,0,0|1,0,0]=3 2294 B13R1.417 NCC(CN)OCc1ccccn1 34a_100000031598_100000721315 [0,1,1,0,0,0|2,0,0]=4 2295 B13R1.417 NCC(CN)OCc1cccnc1 34a_100000031598_100000733263 [0,1,1,0,0,0|2,0,0]=4 2296 B13R1.417 OCC(CO)NCc1ccccc1 207a_100000759517_100015611070 [0,1,1,0,0,0|1,0,0]=3 2297 B13R1.417 OCC(CO)NCc1ccccc1 2230a_100000759517_100015291786 [0,1,1,0,0,0|1,0,0]=3 2298 B13R1.417 OCC(CO)NCc1ccccn1 207a_100000759517_100000209966 [0,1,1,0,0,0|2,0,0]=4 2299 B13R1.417 OCC(CO)NCc1ccccn1 2230a_100000759517_100000721315 [0,1,1,0,0,0|2,0,0]=4 2300 B13R1.417 OCC(CO)NCc1cccnc1 207a_100000759517_100000209961 [0,1,1,0,0,0|2,0,0]=4 2301 B13R1.417 OCC(CO)NCc1cccnc1 2230a_100000759517_100000741622 [0,1,1,0,0,0|2,0,0]=4 2302 B13R1.417 OCC(CO)NCc1ccncc1 207a_100000759517_100000186114 [0,1,1,0,0,0|2,0,0]=4 2303 B13R1.417 OCC(CO)NCc1ccncc1 2230a_100000759517_100015193705 [0,1,1,0,0,0|2,0,0]=4 2304 B13R1.528 C#CC(C)OCc1ccccc1Br 34a_100000756307_200000035995 [0,1,1,0,0,0|1,0,1]=4 2305 B13R1.528 C#CC(C)OCc1ccccc1C 34a_100000698903_200000035995 [0,1,1,0,0,0|1,0,1]=4 2306 B13R1.528 C#CC(C)OCc1ccccc1Cl 34a_100000210847_200000035995 [0,1,1,0,0,0|1,0,1]=4 2307 B13R1.528 C#CC(C)OCc1ccccc1F 34a_100000211962_200000035995 [0,1,1,0,0,0|1,0,1]=4 2308 B13R1.528 C#CC(C)OCc1ccccc1I 34a_100000187465_200000035995 [0,1,1,0,0,0|1,0,1]=4 2309 B13R1.528 C#CC(C)OCc1ccccc1N 34a_100000212039_200000035995 [0,1,1,0,0,0|1,0,1]=4 2310 B13R1.528 C#C[C@@H](C)OCc1ccccc1Br 34a_100009815206_100000184730 [0,1,1,0,0,0|1,0,1]=4 2311 B13R1.528 C#C[C@@H](C)OCc1ccccc1Br 7a_100009815206_100000184730 [0,1,1,0,0,0|1,0,1]=4 2312 B13R1.528 C#C[C@@H](C)OCc1ccccc1C 34a_100009815206_100000211839 [0,1,1,0,0,0|1,0,1]=4 2313 B13R1.528 C#C[C@@H](C)OCc1ccccc1C 7a_100009815206_100000211839 [0,1,1,0,0,0|1,0,1]=4 2314 B13R1.528 C#C[C@@H](C)OCc1ccccc1Cl 34a_100009815206_100000187162 [0,1,1,0,0,0|1,0,1]=4 2315 B13R1.528 C#C[C@@H](C)OCc1ccccc1Cl 7a_100009815206_100000187162 [0,1,1,0,0,0|1,0,1]=4 2316 B13R1.528 C#C[C@@H](C)OCc1ccccc1F 34a_100009815206_100000211605 [0,1,1,0,0,0|1,0,1]=4 2317 B13R1.528 C#C[C@@H](C)OCc1ccccc1F 7a_100009815206_100000211605 [0,1,1,0,0,0|1,0,1]=4 2318 B13R1.528 C#C[C@@H](C)OCc1ccccc1I 34a_100009815206_100011215278 [0,1,1,0,0,0|1,0,1]=4 2319 B13R1.528 C#C[C@@H](C)OCc1ccccc1I 7a_100009815206_100011215278 [0,1,1,0,0,0|1,0,1]=4 2320 B13R1.528 C=CC(C)OCc1ccccc1Br 34a_100000695699_100000184730 [0,1,1,0,0,0|1,0,1]=4 2321 B13R1.528 C=CC(C)OCc1ccccc1C 34a_100000695699_100000211839 [0,1,1,0,0,0|1,0,1]=4 2322 B13R1.528 C=CC(C)OCc1ccccc1Cl 34a_100000695699_100000187162 [0,1,1,0,0,0|1,0,1]=4 2323 B13R1.528 C=CC(C)OCc1ccccc1F 34a_100000695699_100000211605 [0,1,1,0,0,0|1,0,1]=4 2324 B13R1.528 C=CC(C)OCc1ccccc1I 34a_100000695699_100011215278 [0,1,1,0,0,0|1,0,1]=4 2325 B13R1.528 CC(C#N)OCc1ccccc1Br 34a_100011218135_100000184730 [0,1,1,0,0,0|1,0,1]=4 2326 B13R1.528 CC(C#N)OCc1ccccc1Br 7a_100000756307_100000703298 [0,1,1,0,0,0|1,0,1]=4 2327 B13R1.528 CC(C#N)OCc1ccccc1Cl 34a_100011218135_100000187162 [0,1,1,0,0,0|1,0,1]=4 2328 B13R1.528 CC(C#N)OCc1ccccc1Cl 7a_100000210847_100000703298 [0,1,1,0,0,0|1,0,1]=4 2329 B13R1.528 CC(C#N)OCc1ccccc1F 34a_100011218135_100000211605 [0,1,1,0,0,0|1,0,1]=4 2330 B13R1.528 CC(C#N)OCc1ccccc1F 7a_100000211962_100000703298 [0,1,1,0,0,0|1,0,1]=4 2331 B13R1.528 CC(C#N)OCc1ccccc1I 34a_100011218135_100011215278 [0,1,1,0,0,0|1,0,1]=4 2332 B13R1.528 CC(C#N)OCc1ccccc1I 7a_100000187465_100000703298 [0,1,1,0,0,0|1,0,1]=4 2333 B13R1.528 CC(CF)OCc1ccccc1Br 34a_100016041109_100000184730 [0,1,1,0,0,0|1,0,0]=3 2334 B13R1.528 CC(CF)OCc1ccccc1Br 7a_100016041109_100000184730 [0,1,1,0,0,0|1,0,0]=3 2335 B13R1.528 CC(CF)OCc1ccccc1Cl 34a_100016041109_100000187162 [0,1,1,0,0,0|1,0,0]=3 2336 B13R1.528 CC(CF)OCc1ccccc1Cl 7a_100016041109_100000187162 [0,1,1,0,0,0|1,0,0]=3 2337 B13R1.528 CC(CF)OCc1ccccc1F 34a_100016041109_100000211605 [0,1,1,0,0,0|1,0,0]=3 2338 B13R1.528 CC(CF)OCc1ccccc1F 7a_100016041109_100000211605 [0,1,1,0,0,0|1,0,0]=3 2339 B13R1.528 CC(CF)OCc1ccccc1I 34a_100016041109_100011215278 [0,1,1,0,0,0|1,0,0]=3 2340 B13R1.528 CC(CF)OCc1ccccc1I 7a_100016041109_100011215278 [0,1,1,0,0,0|1,0,0]=3 2341 B13R1.528 CC(CF)OCc1cccnc1Br 34a_100016041109_100010140945 [0,1,1,0,0,0|2,0,0]=4 2342 B13R1.528 CC(CF)OCc1cccnc1Br 7a_100016041109_100010140945 [0,1,1,0,0,0|2,0,0]=4 2343 B13R1.528 CC(CF)OCc1cccnc1Cl 34a_100016041109_100000045678 [0,1,1,0,0,0|2,0,0]=4 2344 B13R1.528 CC(CF)OCc1cccnc1Cl 7a_100016041109_100000045678 [0,1,1,0,0,0|2,0,0]=4 2345 B13R1.528 CC(CF)OCc1cccnc1F 34a_100016041109_100000099810 [0,1,1,0,0,0|2,0,0]=4 2346 B13R1.528 CC(CF)OCc1cccnc1F 7a_100016041109_100000099810 [0,1,1,0,0,0|2,0,0]=4 2347 B13R1.528 CC(CF)OCc1ccncc1Cl 7a_100016041109_100000763264 [0,1,1,0,0,0|2,0,0]=4 2348 B13R1.528 CC(CF)OCc1ncccc1Br 34a_100016041109_100025702911 [0,1,1,0,0,0|2,0,0]=4 2349 B13R1.528 CC(CF)OCc1ncccc1Br 7a_100016041109_100025702911 [0,1,1,0,0,0|2,0,0]=4 2350 B13R1.528 CC(CF)OCc1ncccc1Cl 7a_100016041109_100000099807 [0,1,1,0,0,0|2,0,0]=4 2351 B13R1.528 CC(CF)OCc1ncccc1F 34a_100016041109_100000104219 [0,1,1,0,0,0|2,0,0]=4 2352 B13R1.528 CC(CF)OCc1ncccc1F 7a_100016041109_100000104219 [0,1,1,0,0,0|2,0,0]=4 2353 B13R1.528 CC(CF)OCc1ncccc1O 34a_100016041109_200020655725 [0,1,1,0,0,0|2,0,0]=4 2354 B13R1.528 CC(CF)OCc1ncccc1O 7a_100016041109_200020655725 [0,1,1,0,0,0|2,0,0]=4 2355 B13R1.528 CC(CN)OCc1ccccc1Br 34a_100000210904_100000184730 [0,1,1,0,0,0|1,0,0]=3 2356 B13R1.528 CC(CN)OCc1ccccc1Cl 34a_100000210904_100000187162 [0,1,1,0,0,0|1,0,0]=3 2357 B13R1.528 CC(CN)OCc1ccccc1F 34a_100000210904_100000211605 [0,1,1,0,0,0|1,0,0]=3 2358 B13R1.528 CC(CN)OCc1ccccc1I 34a_100000210904_100011215278 [0,1,1,0,0,0|1,0,0]=3 2359 B13R1.528 CC(CN)OCc1cccnc1Br 34a_100000210904_100010140945 [0,1,1,0,0,0|2,0,0]=4 2360 B13R1.528 CC(CN)OCc1cccnc1Cl 34a_100000210904_100000045678 [0,1,1,0,0,0|2,0,0]=4 2361 B13R1.528 CC(CN)OCc1cccnc1F 34a_100000210904_100000099810 [0,1,1,0,0,0|2,0,0]=4 2362 B13R1.528 CC(CN)OCc1ncccc1Br 34a_100000210904_100025702911 [0,1,1,0,0,0|2,0,0]=4 2363 B13R1.528 CC(CN)OCc1ncccc1F 34a_100000210904_100000104219 [0,1,1,0,0,0|2,0,0]=4 2364 B13R1.528 CC(CN)OCc1ncccc1O 34a_100000210904_200020655725 [0,1,1,0,0,0|2,0,0]=4 2365 B13R1.528 CC(CO)NCc1ccccc1Br 2230a_100000689332_100012180447 [0,1,1,0,0,0|1,0,0]=3 2366 B13R1.528 CC(CO)NCc1ccccc1Br 34a_100000689332_100012180447 [0,1,1,0,0,0|1,0,0]=3 2367 B13R1.528 CC(CO)NCc1ccccc1Cl 2230a_100000174879_100012180447 [0,1,1,0,0,0|1,0,0]=3 2368 B13R1.528 CC(CO)NCc1ccccc1Cl 34a_100000174879_100012180447 [0,1,1,0,0,0|1,0,0]=3 2369 B13R1.528 CC(CO)NCc1ccccc1F 34a_100000174869_100012180447 [0,1,1,0,0,0|1,0,0]=3 2370 B13R1.528 CC(CO)NCc1ccccc1O 34a_100000185550_100012180447 [0,1,1,0,0,0|1,0,0]=3 2371 B13R1.528 CC(CO)NCc1cccnc1Br 2230a_100009818023_100012180447 [0,1,1,0,0,0|2,0,0]=4 2372 B13R1.528 CC(CO)NCc1cccnc1Br 34a_100009818023_100012180447 [0,1,1,0,0,0|2,0,0]=4 2373 B13R1.528 CC(CO)NCc1cccnc1Cl 2230a_100015189234_100012180447 [0,1,1,0,0,0|2,0,0]=4 2374 B13R1.528 CC(CO)NCc1cccnc1Cl 34a_100015189234_100012180447 [0,1,1,0,0,0|2,0,0]=4 2375 B13R1.528 CC(CO)NCc1cccnc1F 34a_100000724633_100012180447 [0,1,1,0,0,0|2,0,0]=4 2376 B13R1.528 CC(CO)NCc1ccncc1F 34a_100011935246_100012180447 [0,1,1,0,0,0|2,0,0]=4 2377 B13R1.528 CC(CO)NCc1ncccc1Cl 2230a_100015189233_100012180447 [0,1,1,0,0,0|2,0,0]=4 2378 B13R1.528 CC(CO)NCc1ncccc1F 34a_100000690088_100012180447 [0,1,1,0,0,0|2,0,0]=4 2379 B13R1.528 CC(CO)OCc1ccccc1Br 34a_100000756307_100012180447 [0,1,1,0,0,0|0,0,0]=2 2380 B13R1.528 CC(CO)OCc1ccccc1Br 7a_100000756307_100012180447 [0,1,1,0,0,0|0,0,0]=2 2381 B13R1.528 CC(CO)OCc1ccccc1Cl 34a_100000210847_100012180447 [0,1,1,0,0,0|0,0,0]=2 2382 B13R1.528 CC(CO)OCc1ccccc1Cl 7a_100000210847_100012180447 [0,1,1,0,0,0|0,0,0]=2 2383 B13R1.528 CC(CO)OCc1ccccc1F 34a_100000211962_100012180447 [0,1,1,0,0,0|0,0,0]=2 2384 B13R1.528 CC(CO)OCc1ccccc1F 7a_100000211962_100012180447 [0,1,1,0,0,0|0,0,0]=2 2385 B13R1.528 CC(CO)OCc1ccccc1I 34a_100000187465_100012180447 [0,1,1,0,0,0|0,0,0]=2 2386 B13R1.528 CC(CO)OCc1ccccc1I 7a_100000187465_100012180447 [0,1,1,0,0,0|0,0,0]=2 2387 B13R1.528 CC(CO)OCc1ccccc1N 34a_100000212039_100012180447 [0,1,1,0,0,0|0,0,0]=2 2388 B13R1.528 CC(CO)OCc1cccnc1Br 34a_100000719692_100012180447 [0,1,1,0,0,0|1,0,0]=3 2389 B13R1.528 CC(CO)OCc1cccnc1Br 7a_100000719692_100012180447 [0,1,1,0,0,0|1,0,0]=3 2390 B13R1.528 CC(CO)OCc1cccnc1Cl 34a_100000748726_100012180447 [0,1,1,0,0,0|1,0,0]=3 2391 B13R1.528 CC(CO)OCc1cccnc1Cl 7a_100000748726_100012180447 [0,1,1,0,0,0|1,0,0]=3 2392 B13R1.528 CC(CO)OCc1cccnc1F 34a_100000079888_100012180447 [0,1,1,0,0,0|1,0,0]=3 2393 B13R1.528 CC(CO)OCc1cccnc1F 7a_100000079888_100012180447 [0,1,1,0,0,0|1,0,0]=3 2394 B13R1.528 CC(CO)OCc1ccncc1F 34a_100012172863_100012180447 [0,1,1,0,0,0|1,0,0]=3 2395 B13R1.528 CC(CO)OCc1cnccc1Cl 34a_100000117392_100012180447 [0,1,1,0,0,0|1,0,0]=3 2396 B13R1.528 CC(CO)OCc1ncccc1Br 34a_100011996772_100012180447 [0,1,1,0,0,0|1,0,0]=3 2397 B13R1.528 CC(CO)OCc1ncccc1Cl 34a_100012002383_100012180447 [0,1,1,0,0,0|1,0,0]=3 2398 B13R1.528 CC(CO)OCc1ncccc1F 34a_100011934865_100012180447 [0,1,1,0,0,0|1,0,0]=3 2399 B13R1.528 CC(CO)OCc1ncccc1N 34a_114873767017_100012180447 [0,1,1,0,0,0|1,0,0]=3 2400 B13R1.528 CC(CO)OCc1nccnc1Cl 34a_100000057004_100012180447 [0,1,1,0,0,0|2,0,0]=4 2401 B13R1.528 CC(CO)SCc1ccccc1Br 62a_100012180447_100000184730 [0,1,1,0,0,0|0,1,0]=3 2402 B13R1.528 CC(CO)SCc1ccccc1Cl 62a_100012180447_100000187162 [0,1,1,0,0,0|0,1,0]=3 2403 B13R1.528 CC(CO)SCc1ccccc1F 62a_100012180447_100000211605 [0,1,1,0,0,0|0,1,0]=3 2404 B13R1.528 CC(CO)SCc1ccccc1I 62a_100012180447_100011216222 [0,1,1,0,0,0|0,1,0]=3 2405 B13R1.528 CC(CO)SCc1cccnc1Br 62a_100012180447_100010140945 [0,1,1,0,0,0|1,1,0]=4 2406 B13R1.528 CC(CO)SCc1cccnc1Cl 62a_100012180447_100000045678 [0,1,1,0,0,0|1,1,0]=4 2407 B13R1.528 CC(CO)SCc1cccnc1F 62a_100012180447_100000099810 [0,1,1,0,0,0|1,1,0]=4 2408 B13R1.528 CC(CO)SCc1ccncc1Cl 62a_100012180447_100000763264 [0,1,1,0,0,0|1,1,0]=4 2409 B13R1.528 CC(CO)SCc1ncccc1Br 62a_100012180447_100025702911 [0,1,1,0,0,0|1,1,0]=4 2410 B13R1.528 CC(CO)SCc1ncccc1Cl 62a_100012180447_100000099807 [0,1,1,0,0,0|1,1,0]=4 2411 B13R1.528 CC(CO)SCc1ncccc1F 62a_100012180447_100000104219 [0,1,1,0,0,0|1,1,0]=4 2412 B13R1.528 CC(CO)SCc1ncccc1O 62a_100012180447_200020655725 [0,1,1,0,0,0|1,1,0]=4 2413 B13R1.528 CCC(C)NCc1ccccc1Br 207a_100000209981_100000211189 [0,1,1,0,0,0|2,0,0]=4 2414 B13R1.528 CCC(C)NCc1ccccc1Br 2230a_100000209981_100000184730 [0,1,1,0,0,0|2,0,0]=4 2415 B13R1.528 CCC(C)NCc1ccccc1Br 2230a_100000689332_100000758301 [0,1,1,0,0,0|2,0,0]=4 2416 B13R1.528 CCC(C)NCc1ccccc1Br 270004a_100000209981_100000211189 [0,1,1,0,0,0|2,0,0]=4 2417 B13R1.528 CCC(C)NCc1ccccc1Br 34a_100000689332_100011215416 [0,1,1,0,0,0|2,0,0]=4 2418 B13R1.528 CCC(C)NCc1ccccc1C 207a_100000209981_100000211143 [0,1,1,0,0,0|2,0,0]=4 2419 B13R1.528 CCC(C)NCc1ccccc1C 2230a_100000209981_100000211839 [0,1,1,0,0,0|2,0,0]=4 2420 B13R1.528 CCC(C)NCc1ccccc1C 270004a_100000209981_100000211143 [0,1,1,0,0,0|2,0,0]=4 2421 B13R1.528 CCC(C)NCc1ccccc1C 34a_100000174972_100011215416 [0,1,1,0,0,0|2,0,0]=4 2422 B13R1.528 CCC(C)NCc1ccccc1Cl 207a_100000209981_100000210073 [0,1,1,0,0,0|2,0,0]=4 2423 B13R1.528 CCC(C)NCc1ccccc1Cl 2230a_100000174879_100000758301 [0,1,1,0,0,0|2,0,0]=4 2424 B13R1.528 CCC(C)NCc1ccccc1Cl 2230a_100000209981_100000187162 [0,1,1,0,0,0|2,0,0]=4 2425 B13R1.528 CCC(C)NCc1ccccc1Cl 270004a_100000209981_100000210073 [0,1,1,0,0,0|2,0,0]=4 2426 B13R1.528 CCC(C)NCc1ccccc1Cl 34a_100000174879_100011215416 [0,1,1,0,0,0|2,0,0]=4 2427 B13R1.528 CCC(C)NCc1ccccc1F 207a_100000209981_100000210811 [0,1,1,0,0,0|2,0,0]=4 2428 B13R1.528 CCC(C)NCc1ccccc1F 2230a_100000209981_100000211605 [0,1,1,0,0,0|2,0,0]=4 2429 B13R1.528 CCC(C)NCc1ccccc1F 270004a_100000209981_100000210811 [0,1,1,0,0,0|2,0,0]=4 2430 B13R1.528 CCC(C)NCc1ccccc1F 34a_100000174869_100011215416 [0,1,1,0,0,0|2,0,0]=4 2431 B13R1.528 CCC(C)NCc1ccccc1I 207a_100000209981_100000010305 [0,1,1,0,0,0|2,0,0]=4 2432 B13R1.528 CCC(C)NCc1ccccc1I 2230a_100000209981_100011215278 [0,1,1,0,0,0|2,0,0]=4 2433 B13R1.528 CCC(C)NCc1ccccc1I 270004a_100000209981_100000010305 [0,1,1,0,0,0|2,0,0]=4 2434 B13R1.528 CCC(C)NCc1ccccc1O 271570a_203496583355_100015185290 [0,1,1,0,0,0|2,0,0]=4 2435 B13R1.528 CCC(C)NCc1ccccc1O 34a_100000185550_100011215416 [0,1,1,0,0,0|2,0,0]=4 2436 B13R1.528 CCC(C)OCc1ccccc1Br 34a_100000756307_100011215416 [0,1,1,0,0,0|1,0,0]=3 2437 B13R1.528 CCC(C)OCc1ccccc1Br 7a_100000210228_100000184730 [0,1,1,0,0,0|1,0,0]=3 2438 B13R1.528 CCC(C)OCc1ccccc1Br 7a_100000756307_100000758301 [0,1,1,0,0,0|1,0,0]=3 2439 B13R1.528 CCC(C)OCc1ccccc1C 34a_100000698903_100011215416 [0,1,1,0,0,0|1,0,0]=3 2440 B13R1.528 CCC(C)OCc1ccccc1C 7a_100000210228_100000211839 [0,1,1,0,0,0|1,0,0]=3 2441 B13R1.528 CCC(C)OCc1ccccc1C 7a_100000698903_100000758301 [0,1,1,0,0,0|1,0,0]=3 2442 B13R1.528 CCC(C)OCc1ccccc1Cl 34a_100000210847_100011215416 [0,1,1,0,0,0|1,0,0]=3 2443 B13R1.528 CCC(C)OCc1ccccc1Cl 7a_100000210228_100000187162 [0,1,1,0,0,0|1,0,0]=3 2444 B13R1.528 CCC(C)OCc1ccccc1Cl 7a_100000210847_100000758301 [0,1,1,0,0,0|1,0,0]=3 2445 B13R1.528 CCC(C)OCc1ccccc1F 34a_100000211962_100011215416 [0,1,1,0,0,0|1,0,0]=3 2446 B13R1.528 CCC(C)OCc1ccccc1F 7a_100000210228_100000211605 [0,1,1,0,0,0|1,0,0]=3 2447 B13R1.528 CCC(C)OCc1ccccc1F 7a_100000211962_100000758301 [0,1,1,0,0,0|1,0,0]=3 2448 B13R1.528 CCC(C)OCc1ccccc1I 34a_100000187465_100011215416 [0,1,1,0,0,0|1,0,0]=3 2449 B13R1.528 CCC(C)OCc1ccccc1I 7a_100000187465_100000758301 [0,1,1,0,0,0|1,0,0]=3 2450 B13R1.528 CCC(C)OCc1ccccc1I 7a_100000210228_100011215278 [0,1,1,0,0,0|1,0,0]=3 2451 B13R1.528 CCC(C)OCc1ccccc1N 34a_100000212039_100011215416 [0,1,1,0,0,0|1,0,0]=3 2452 B13R1.528 CCC(C)OCc1cccnc1Br 34a_100000719692_100011215416 [0,1,1,0,0,0|2,0,0]=4 2453 B13R1.528 CCC(C)OCc1cccnc1Br 7a_100000210228_100010140945 [0,1,1,0,0,0|2,0,0]=4 2454 B13R1.528 CCC(C)OCc1cccnc1Br 7a_100000719692_100000758301 [0,1,1,0,0,0|2,0,0]=4 2455 B13R1.528 CCC(C)OCc1cccnc1C 34a_100000729262_100011215416 [0,1,1,0,0,0|2,0,0]=4 2456 B13R1.528 CCC(C)OCc1cccnc1C 7a_100000210228_100000732876 [0,1,1,0,0,0|2,0,0]=4 2457 B13R1.528 CCC(C)OCc1cccnc1C 7a_100000729262_100000758301 [0,1,1,0,0,0|2,0,0]=4 2458 B13R1.528 CCC(C)OCc1cccnc1Cl 34a_100000748726_100011215416 [0,1,1,0,0,0|2,0,0]=4 2459 B13R1.528 CCC(C)OCc1cccnc1Cl 7a_100000210228_100000045678 [0,1,1,0,0,0|2,0,0]=4 2460 B13R1.528 CCC(C)OCc1cccnc1Cl 7a_100000748726_100000758301 [0,1,1,0,0,0|2,0,0]=4 2461 B13R1.528 CCC(C)OCc1cccnc1F 34a_100000079888_100011215416 [0,1,1,0,0,0|2,0,0]=4 2462 B13R1.528 CCC(C)OCc1cccnc1F 7a_100000079888_100000758301 [0,1,1,0,0,0|2,0,0]=4 2463 B13R1.528 CCC(C)OCc1cccnc1F 7a_100000210228_100000099810 [0,1,1,0,0,0|2,0,0]=4 2464 B13R1.528 CCC(C)OCc1ccncc1C 34a_100011997032_100011215416 [0,1,1,0,0,0|2,0,0]=4 2465 B13R1.528 CCC(C)OCc1ccncc1C 7a_100000210228_100020672808 [0,1,1,0,0,0|2,0,0]=4 2466 B13R1.528 CCC(C)OCc1ccncc1Cl 7a_100000210228_100000763264 [0,1,1,0,0,0|2,0,0]=4 2467 B13R1.528 CCC(C)OCc1ccncc1F 34a_100012172863_100011215416 [0,1,1,0,0,0|2,0,0]=4 2468 B13R1.528 CCC(C)OCc1cnccc1C 34a_100011996381_100011215416 [0,1,1,0,0,0|2,0,0]=4 2469 B13R1.528 CCC(C)OCc1cnccc1C 7a_100000210228_100000690890 [0,1,1,0,0,0|2,0,0]=4 2470 B13R1.528 CCC(C)OCc1cnccc1Cl 34a_100000117392_100011215416 [0,1,1,0,0,0|2,0,0]=4 2471 B13R1.528 CCC(C)OCc1ncccc1Br 34a_100011996772_100011215416 [0,1,1,0,0,0|2,0,0]=4 2472 B13R1.528 CCC(C)OCc1ncccc1Br 7a_100000210228_100025702911 [0,1,1,0,0,0|2,0,0]=4 2473 B13R1.528 CCC(C)OCc1ncccc1C 34a_100000698912_100011215416 [0,1,1,0,0,0|2,0,0]=4 2474 B13R1.528 CCC(C)OCc1ncccc1C 7a_100000210228_100000696600 [0,1,1,0,0,0|2,0,0]=4 2475 B13R1.528 CCC(C)OCc1ncccc1Cl 34a_100012002383_100011215416 [0,1,1,0,0,0|2,0,0]=4 2476 B13R1.528 CCC(C)OCc1ncccc1Cl 7a_100000210228_100000099807 [0,1,1,0,0,0|2,0,0]=4 2477 B13R1.528 CCC(C)OCc1ncccc1F 34a_100011934865_100011215416 [0,1,1,0,0,0|2,0,0]=4 2478 B13R1.528 CCC(C)OCc1ncccc1F 7a_100000210228_100000104219 [0,1,1,0,0,0|2,0,0]=4 2479 B13R1.528 CCC(C)OCc1ncccc1N 34a_114873767017_100011215416 [0,1,1,0,0,0|2,0,0]=4 2480 B13R1.528 CCC(C)OCc1ncccc1O 7a_100000210228_200020655725 [0,1,1,0,0,0|2,0,0]=4 2481 B13R1.528 CCC(C)SCc1ccccc1Br 62a_100000184730_100000758301 [0,1,1,0,0,0|1,1,0]=4 2482 B13R1.528 CCC(C)SCc1ccccc1Br 62a_100000758301_100000184730 [0,1,1,0,0,0|1,1,0]=4 2483 B13R1.528 CCC(C)SCc1ccccc1C 62a_100000211839_100000758301 [0,1,1,0,0,0|1,1,0]=4 2484 B13R1.528 CCC(C)SCc1ccccc1C 62a_100000758301_100000211839 [0,1,1,0,0,0|1,1,0]=4 2485 B13R1.528 CCC(C)SCc1ccccc1Cl 62a_100000187162_100000758301 [0,1,1,0,0,0|1,1,0]=4 2486 B13R1.528 CCC(C)SCc1ccccc1Cl 62a_100000758301_100000187162 [0,1,1,0,0,0|1,1,0]=4 2487 B13R1.528 CCC(C)SCc1ccccc1F 62a_100000211605_100000758301 [0,1,1,0,0,0|1,1,0]=4 2488 B13R1.528 CCC(C)SCc1ccccc1F 62a_100000758301_100000211605 [0,1,1,0,0,0|1,1,0]=4 2489 B13R1.528 CCC(C)SCc1ccccc1I 62a_100000758301_100011216222 [0,1,1,0,0,0|1,1,0]=4 2490 B13R1.528 CCC(C)SCc1ccccc1I 62a_100011216222_100000758301 [0,1,1,0,0,0|1,1,0]=4 2491 B13R1.528 C[C@@H](CO)CNc1ccccc1Br 34a_100000210017_100000059175 [0,1,1,0,0,0|2,0,0]=4 2492 B13R1.528 C[C@@H](CO)CNc1ccccc1Cl 34a_100000185783_100000059175 [0,1,1,0,0,0|2,0,0]=4 2493 B13R1.528 C[C@@H](CO)CNc1ccccc1F 34a_100000210422_100000059175 [0,1,1,0,0,0|2,0,0]=4 2494 B13R1.528 C[C@@H](CO)CNc1ccccc1I 34a_100000210053_100000059175 [0,1,1,0,0,0|2,0,0]=4 2495 B13R1.528 C[C@@H](CO)CNc1ccccc1O 34a_100000185747_100000059175 [0,1,1,0,0,0|2,0,0]=4 2496 B13R1.528 C[C@@H](CO)COc1ccccc1Br 34a_100000181306_100000059175 [0,1,1,0,0,0|2,0,0]=4 2497 B13R1.528 C[C@@H](CO)COc1ccccc1Br 7a_100000181306_100000059175 [0,1,1,0,0,0|2,0,0]=4 2498 B13R1.528 C[C@@H](CO)COc1ccccc1Cl 34a_100000210172_100000059175 [0,1,1,0,0,0|2,0,0]=4 2499 B13R1.528 C[C@@H](CO)COc1ccccc1Cl 7a_100000210172_100000059175 [0,1,1,0,0,0|2,0,0]=4 2500 B13R1.528 C[C@@H](CO)COc1ccccc1F 34a_100000210171_100000059175 [0,1,1,0,0,0|2,0,0]=4 2501 B13R1.528 C[C@@H](CO)COc1ccccc1F 7a_100000210171_100000059175 [0,1,1,0,0,0|2,0,0]=4 2502 B13R1.528 C[C@@H](CO)COc1ccccc1I 34a_100000739446_100000059175 [0,1,1,0,0,0|2,0,0]=4 2503 B13R1.528 C[C@@H](CO)COc1ccccc1I 7a_100000739446_100000059175 [0,1,1,0,0,0|2,0,0]=4 2504 B13R1.528 C[C@@H](CO)COc1ccccc1N 34a_100000185747_100000059175 [0,1,1,0,0,0|2,0,0]=4 2505 B13R1.528 C[C@@H](CO)COc1ccccc1N 7a_100000185747_100000059175 [0,1,1,0,0,0|2,0,0]=4 2506 B13R1.528 C[C@@H](CO)CSc1ccccc1Br 62a_100000059175_100000695589 [0,1,1,0,0,0|2,0,0]=4 2507 B13R1.528 C[C@@H](CO)CSc1ccccc1Br 62a_100000695589_100000059175 [0,1,1,0,0,0|2,0,0]=4 2508 B13R1.528 C[C@@H](CO)CSc1ccccc1Cl 62a_100000059175_100000764095 [0,1,1,0,0,0|2,0,0]=4 2509 B13R1.528 C[C@@H](CO)CSc1ccccc1Cl 62a_100000764095_100000059175 [0,1,1,0,0,0|2,0,0]=4 2510 B13R1.528 C[C@@H](CO)CSc1ccccc1F 62a_100000059175_100011215700 [0,1,1,0,0,0|2,0,0]=4 2511 B13R1.528 C[C@@H](CO)CSc1ccccc1F 62a_100011215700_100000059175 [0,1,1,0,0,0|2,0,0]=4 2512 B13R1.528 C[C@@H](CO)CSc1ccccc1N 62a_100000059175_100000210017 [0,1,1,0,0,0|2,0,0]=4 2513 B13R1.528 C[C@@H](CO)CSc1ccccc1N 62a_100000210017_100000059175 [0,1,1,0,0,0|2,0,0]=4 2514 B13R1.528 C[C@@H](CO)CSc1ccccc1O 62a_100000059175_100000739446 [0,1,1,0,0,0|2,0,0]=4 2515 B13R1.528 C[C@@H](CO)CSc1ccccc1O 62a_100000739446_100000059175 [0,1,1,0,0,0|2,0,0]=4 2516 B13R1.528 C[C@H](CF)NCc1ccccc1Br 207a_100102880703_100000211189 [0,1,1,0,0,0|2,0,0]=4 2517 B13R1.528 C[C@H](CF)NCc1ccccc1Br 270004a_100102880703_100000211189 [0,1,1,0,0,0|2,0,0]=4 2518 B13R1.528 C[C@H](CF)NCc1ccccc1Cl 207a_100102880703_100000210073 [0,1,1,0,0,0|2,0,0]=4 2519 B13R1.528 C[C@H](CF)NCc1ccccc1Cl 270004a_100102880703_100000210073 [0,1,1,0,0,0|2,0,0]=4 2520 B13R1.528 C[C@H](CF)NCc1ccccc1F 207a_100102880703_100000210811 [0,1,1,0,0,0|2,0,0]=4 2521 B13R1.528 C[C@H](CF)NCc1ccccc1F 270004a_100102880703_100000210811 [0,1,1,0,0,0|2,0,0]=4 2522 B13R1.528 C[C@H](CF)NCc1ccccc1I 207a_100102880703_100000010305 [0,1,1,0,0,0|2,0,0]=4 2523 B13R1.528 C[C@H](CF)NCc1ccccc1I 270004a_100102880703_100000010305 [0,1,1,0,0,0|2,0,0]=4 2524 B13R1.528 C[C@H](CO)NCc1ccccc1Br 207a_100000737577_100000211189 [0,1,1,0,0,0|1,0,0]=3 2525 B13R1.528 C[C@H](CO)NCc1ccccc1Br 2230a_100000737577_100000184730 [0,1,1,0,0,0|1,0,0]=3 2526 B13R1.528 C[C@H](CO)NCc1ccccc1Br 270004a_100000737577_100000211189 [0,1,1,0,0,0|1,0,0]=3 2527 B13R1.528 C[C@H](CO)NCc1ccccc1Cl 207a_100000737577_100000210073 [0,1,1,0,0,0|1,0,0]=3 2528 B13R1.528 C[C@H](CO)NCc1ccccc1Cl 2230a_100000737577_100000187162 [0,1,1,0,0,0|1,0,0]=3 2529 B13R1.528 C[C@H](CO)NCc1ccccc1Cl 270004a_100000737577_100000210073 [0,1,1,0,0,0|1,0,0]=3 2530 B13R1.528 C[C@H](CO)NCc1ccccc1F 207a_100000737577_100000210811 [0,1,1,0,0,0|1,0,0]=3 2531 B13R1.528 C[C@H](CO)NCc1ccccc1F 2230a_100000737577_100000211605 [0,1,1,0,0,0|1,0,0]=3 2532 B13R1.528 C[C@H](CO)NCc1ccccc1F 270004a_100000737577_100000210811 [0,1,1,0,0,0|1,0,0]=3 2533 B13R1.528 C[C@H](CO)NCc1ccccc1I 207a_100000737577_100000010305 [0,1,1,0,0,0|1,0,0]=3 2534 B13R1.528 C[C@H](CO)NCc1ccccc1I 2230a_100000737577_100011215278 [0,1,1,0,0,0|1,0,0]=3 2535 B13R1.528 C[C@H](CO)NCc1ccccc1I 270004a_100000737577_100000010305 [0,1,1,0,0,0|1,0,0]=3 2536 B13R1.528 C[C@H](CO)NCc1cccnc1Br 2230a_100000737577_100010140945 [0,1,1,0,0,0|2,0,0]=4 2537 B13R1.528 C[C@H](CO)NCc1cccnc1Cl 2230a_100000737577_100000045678 [0,1,1,0,0,0|2,0,0]=4 2538 B13R1.528 C[C@H](CO)NCc1cccnc1F 2230a_100000737577_100000099810 [0,1,1,0,0,0|2,0,0]=4 2539 B13R1.528 C[C@H](CO)NCc1cccnc1O 207a_100000737577_100011998315 [0,1,1,0,0,0|2,0,0]=4 2540 B13R1.528 C[C@H](CO)NCc1cccnc1O 270004a_100000737577_100011998315 [0,1,1,0,0,0|2,0,0]=4 2541 B13R1.528 C[C@H](CO)NCc1ccncc1Br 270004a_100000737577_100000755692 [0,1,1,0,0,0|2,0,0]=4 2542 B13R1.528 C[C@H](CO)NCc1ccncc1Cl 207a_100000737577_100011934409 [0,1,1,0,0,0|2,0,0]=4 2543 B13R1.528 C[C@H](CO)NCc1ccncc1Cl 2230a_100000737577_100000763264 [0,1,1,0,0,0|2,0,0]=4 2544 B13R1.528 C[C@H](CO)NCc1ccncc1Cl 270004a_100000737577_100011934409 [0,1,1,0,0,0|2,0,0]=4 2545 B13R1.528 C[C@H](CO)NCc1cnccc1Br 270004a_100000737577_100009816821 [0,1,1,0,0,0|2,0,0]=4 2546 B13R1.528 C[C@H](CO)NCc1cnccc1Cl 270004a_100000737577_100000050567 [0,1,1,0,0,0|2,0,0]=4 2547 B13R1.528 C[C@H](CO)NCc1ncccc1Br 207a_100000737577_100011934733 [0,1,1,0,0,0|2,0,0]=4 2548 B13R1.528 C[C@H](CO)NCc1ncccc1Br 2230a_100000737577_100025702911 [0,1,1,0,0,0|2,0,0]=4 2549 B13R1.528 C[C@H](CO)NCc1ncccc1Br 270004a_100000737577_100011934733 [0,1,1,0,0,0|2,0,0]=4 2550 B13R1.528 C[C@H](CO)NCc1ncccc1Cl 207a_100000737577_100012001307 [0,1,1,0,0,0|2,0,0]=4 2551 B13R1.528 C[C@H](CO)NCc1ncccc1Cl 2230a_100000737577_100000099807 [0,1,1,0,0,0|2,0,0]=4 2552 B13R1.528 C[C@H](CO)NCc1ncccc1Cl 270004a_100000737577_100012001307 [0,1,1,0,0,0|2,0,0]=4 2553 B13R1.528 C[C@H](CO)NCc1ncccc1F 207a_100000737577_100011934734 [0,1,1,0,0,0|2,0,0]=4 2554 B13R1.528 C[C@H](CO)NCc1ncccc1F 2230a_100000737577_100000104219 [0,1,1,0,0,0|2,0,0]=4 2555 B13R1.528 C[C@H](CO)NCc1ncccc1F 270004a_100000737577_100011934734 [0,1,1,0,0,0|2,0,0]=4 2556 B13R1.528 C[C@H](CO)SCc1ccccc1Br 62a_100000184730_100016084084 [0,1,1,0,0,0|0,1,0]=3 2557 B13R1.528 C[C@H](CO)SCc1ccccc1Br 62a_100016084084_100000184730 [0,1,1,0,0,0|0,1,0]=3 2558 B13R1.528 C[C@H](CO)SCc1ccccc1Cl 62a_100000187162_100016084084 [0,1,1,0,0,0|0,1,0]=3 2559 B13R1.528 C[C@H](CO)SCc1ccccc1Cl 62a_100016084084_100000187162 [0,1,1,0,0,0|0,1,0]=3 2560 B13R1.528 C[C@H](CO)SCc1ccccc1F 62a_100000211605_100016084084 [0,1,1,0,0,0|0,1,0]=3 2561 B13R1.528 C[C@H](CO)SCc1ccccc1F 62a_100016084084_100000211605 [0,1,1,0,0,0|0,1,0]=3 2562 B13R1.528 C[C@H](CO)SCc1ccccc1I 62a_100011216222_100016084084 [0,1,1,0,0,0|0,1,0]=3 2563 B13R1.528 C[C@H](CO)SCc1ccccc1I 62a_100016084084_100011216222 [0,1,1,0,0,0|0,1,0]=3 2564 B13R1.528 C[C@H](CO)SCc1cccnc1Br 62a_100010140945_100016084084 [0,1,1,0,0,0|1,1,0]=4 2565 B13R1.528 C[C@H](CO)SCc1cccnc1Br 62a_100016084084_100010140945 [0,1,1,0,0,0|1,1,0]=4 2566 B13R1.528 C[C@H](CO)SCc1cccnc1Cl 62a_100000045678_100016084084 [0,1,1,0,0,0|1,1,0]=4 2567 B13R1.528 C[C@H](CO)SCc1cccnc1Cl 62a_100016084084_100000045678 [0,1,1,0,0,0|1,1,0]=4 2568 B13R1.528 C[C@H](CO)SCc1cccnc1F 62a_100000099810_100016084084 [0,1,1,0,0,0|1,1,0]=4 2569 B13R1.528 C[C@H](CO)SCc1cccnc1F 62a_100016084084_100000099810 [0,1,1,0,0,0|1,1,0]=4 2570 B13R1.528 C[C@H](CO)SCc1ccncc1Cl 62a_100000763264_100016084084 [0,1,1,0,0,0|1,1,0]=4 2571 B13R1.528 C[C@H](CO)SCc1ccncc1Cl 62a_100016084084_100000763264 [0,1,1,0,0,0|1,1,0]=4 2572 B13R1.528 C[C@H](CO)SCc1ncccc1Br 62a_100016084084_100025702911 [0,1,1,0,0,0|1,1,0]=4 2573 B13R1.528 C[C@H](CO)SCc1ncccc1Br 62a_100025702911_100016084084 [0,1,1,0,0,0|1,1,0]=4 2574 B13R1.528 C[C@H](CO)SCc1ncccc1Cl 62a_100000099807_100016084084 [0,1,1,0,0,0|1,1,0]=4 2575 B13R1.528 C[C@H](CO)SCc1ncccc1Cl 62a_100016084084_100000099807 [0,1,1,0,0,0|1,1,0]=4 2576 B13R1.528 C[C@H](CO)SCc1ncccc1F 62a_100000104219_100016084084 [0,1,1,0,0,0|1,1,0]=4 2577 B13R1.528 C[C@H](CO)SCc1ncccc1F 62a_100016084084_100000104219 [0,1,1,0,0,0|1,1,0]=4 2578 B13R1.528 C[C@H](CO)SCc1ncccc1O 62a_100016084084_200020655725 [0,1,1,0,0,0|1,1,0]=4 2579 B13R1.528 C[C@H](CO)SCc1ncccc1O 62a_200020655725_100016084084 [0,1,1,0,0,0|1,1,0]=4 2580 B13R1.528 Cc1ccccc1CNC(C)CO 34a_100000174972_100012180447 [0,1,1,0,0,0|1,0,0]=3 2581 B13R1.528 Cc1ccccc1CN[C@H](C)CF 207a_100102880703_100000211143 [0,1,1,0,0,0|2,0,0]=4 2582 B13R1.528 Cc1ccccc1CN[C@H](C)CF 270004a_100102880703_100000211143 [0,1,1,0,0,0|2,0,0]=4 2583 B13R1.528 Cc1ccccc1CN[C@H](C)CO 207a_100000737577_100000211143 [0,1,1,0,0,0|1,0,0]=3 2584 B13R1.528 Cc1ccccc1CN[C@H](C)CO 2230a_100000737577_100000211839 [0,1,1,0,0,0|1,0,0]=3 2585 B13R1.528 Cc1ccccc1CN[C@H](C)CO 270004a_100000737577_100000211143 [0,1,1,0,0,0|1,0,0]=3 2586 B13R1.528 Cc1ccccc1COC(C)C#N 34a_100011218135_100000211839 [0,1,1,0,0,0|1,0,1]=4 2587 B13R1.528 Cc1ccccc1COC(C)C#N 7a_100000698903_100000703298 [0,1,1,0,0,0|1,0,1]=4 2588 B13R1.528 Cc1ccccc1COC(C)CF 34a_100016041109_100000211839 [0,1,1,0,0,0|1,0,0]=3 2589 B13R1.528 Cc1ccccc1COC(C)CF 7a_100016041109_100000211839 [0,1,1,0,0,0|1,0,0]=3 2590 B13R1.528 Cc1ccccc1COC(C)CN 34a_100000210904_100000211839 [0,1,1,0,0,0|1,0,0]=3 2591 B13R1.528 Cc1ccccc1COC(C)CO 34a_100000698903_100012180447 [0,1,1,0,0,0|0,0,0]=2 2592 B13R1.528 Cc1ccccc1COC(C)CO 7a_100000698903_100012180447 [0,1,1,0,0,0|0,0,0]=2 2593 B13R1.528 Cc1ccccc1CSC(C)CO 62a_100012180447_100000211839 [0,1,1,0,0,0|0,1,0]=3 2594 B13R1.528 Cc1ccccc1CS[C@H](C)CO 62a_100000211839_100016084084 [0,1,1,0,0,0|0,1,0]=3 2595 B13R1.528 Cc1ccccc1CS[C@H](C)CO 62a_100016084084_100000211839 [0,1,1,0,0,0|0,1,0]=3 2596 B13R1.528 Cc1ccccc1NC[C@@H](C)CO 34a_100015192222_100000059175 [0,1,1,0,0,0|2,0,0]=4 2597 B13R1.528 Cc1ccccc1OC[C@@H](C)CO 34a_100000210338_100000059175 [0,1,1,0,0,0|2,0,0]=4 2598 B13R1.528 Cc1ccccc1OC[C@@H](C)CO 7a_100000210338_100000059175 [0,1,1,0,0,0|2,0,0]=4 2599 B13R1.528 Cc1ccccc1SC[C@@H](C)CO 62a_100000059175_100000210755 [0,1,1,0,0,0|2,0,0]=4 2600 B13R1.528 Cc1ccccc1SC[C@@H](C)CO 62a_100000210755_100000059175 [0,1,1,0,0,0|2,0,0]=4 2601 B13R1.528 Cc1cccnc1CNC(C)CO 34a_100011223789_100012180447 [0,1,1,0,0,0|2,0,0]=4 2602 B13R1.528 Cc1cccnc1CN[C@H](C)CO 207a_100000737577_100000698913 [0,1,1,0,0,0|2,0,0]=4 2603 B13R1.528 Cc1cccnc1CN[C@H](C)CO 2230a_100000737577_100000696600 [0,1,1,0,0,0|2,0,0]=4 2604 B13R1.528 Cc1cccnc1CN[C@H](C)CO 270004a_100000737577_100000698913 [0,1,1,0,0,0|2,0,0]=4 2605 B13R1.528 Cc1cccnc1COC(C)CF 34a_100016041109_100000696600 [0,1,1,0,0,0|2,0,0]=4 2606 B13R1.528 Cc1cccnc1COC(C)CF 7a_100016041109_100000696600 [0,1,1,0,0,0|2,0,0]=4 2607 B13R1.528 Cc1cccnc1COC(C)CN 34a_100000210904_100000696600 [0,1,1,0,0,0|2,0,0]=4 2608 B13R1.528 Cc1cccnc1COC(C)CO 34a_100000698912_100012180447 [0,1,1,0,0,0|1,0,0]=3 2609 B13R1.528 Cc1cccnc1CSC(C)CO 62a_100012180447_100000696600 [0,1,1,0,0,0|1,1,0]=4 2610 B13R1.528 Cc1cccnc1CS[C@H](C)CO 62a_100000696600_100016084084 [0,1,1,0,0,0|1,1,0]=4 2611 B13R1.528 Cc1cccnc1CS[C@H](C)CO 62a_100016084084_100000696600 [0,1,1,0,0,0|1,1,0]=4 2612 B13R1.528 Cc1ccncc1CN[C@H](C)CO 207a_100000737577_100000685662 [0,1,1,0,0,0|2,0,0]=4 2613 B13R1.528 Cc1ccncc1CN[C@H](C)CO 2230a_100000737577_100000690890 [0,1,1,0,0,0|2,0,0]=4 2614 B13R1.528 Cc1ccncc1CN[C@H](C)CO 270004a_100000737577_100000685662 [0,1,1,0,0,0|2,0,0]=4 2615 B13R1.528 Cc1ccncc1COC(C)CF 34a_100016041109_100000690890 [0,1,1,0,0,0|2,0,0]=4 2616 B13R1.528 Cc1ccncc1COC(C)CF 7a_100016041109_100000690890 [0,1,1,0,0,0|2,0,0]=4 2617 B13R1.528 Cc1ccncc1COC(C)CN 34a_100000210904_100000690890 [0,1,1,0,0,0|2,0,0]=4 2618 B13R1.528 Cc1ccncc1COC(C)CO 34a_100011996381_100012180447 [0,1,1,0,0,0|1,0,0]=3 2619 B13R1.528 Cc1ccncc1CSC(C)CO 62a_100012180447_100000690890 [0,1,1,0,0,0|1,1,0]=4 2620 B13R1.528 Cc1ccncc1CS[C@H](C)CO 62a_100000690890_100016084084 [0,1,1,0,0,0|1,1,0]=4 2621 B13R1.528 Cc1ccncc1CS[C@H](C)CO 62a_100016084084_100000690890 [0,1,1,0,0,0|1,1,0]=4 2622 B13R1.528 Cc1cnccc1CN[C@H](C)CO 2230a_100000737577_100020672808 [0,1,1,0,0,0|2,0,0]=4 2623 B13R1.528 Cc1cnccc1COC(C)CF 34a_100016041109_100020672809 [0,1,1,0,0,0|2,0,0]=4 2624 B13R1.528 Cc1cnccc1COC(C)CF 7a_100016041109_100020672808 [0,1,1,0,0,0|2,0,0]=4 2625 B13R1.528 Cc1cnccc1COC(C)CN 34a_100000210904_100020672809 [0,1,1,0,0,0|2,0,0]=4 2626 B13R1.528 Cc1cnccc1COC(C)CO 34a_100011997032_100012180447 [0,1,1,0,0,0|1,0,0]=3 2627 B13R1.528 Cc1cnccc1CSC(C)CO 62a_100012180447_100020672808 [0,1,1,0,0,0|1,1,0]=4 2628 B13R1.528 Cc1cnccc1CS[C@H](C)CO 62a_100016084084_100020672808 [0,1,1,0,0,0|1,1,0]=4 2629 B13R1.528 Cc1cnccc1CS[C@H](C)CO 62a_100020672808_100016084084 [0,1,1,0,0,0|1,1,0]=4 2630 B13R1.528 Cc1ncccc1CN[C@H](C)CO 207a_100000737577_100000751968 [0,1,1,0,0,0|2,0,0]=4 2631 B13R1.528 Cc1ncccc1CN[C@H](C)CO 2230a_100000737577_100000732876 [0,1,1,0,0,0|2,0,0]=4 2632 B13R1.528 Cc1ncccc1CN[C@H](C)CO 270004a_100000737577_100000751968 [0,1,1,0,0,0|2,0,0]=4 2633 B13R1.528 Cc1ncccc1COC(C)CF 34a_100016041109_100000732876 [0,1,1,0,0,0|2,0,0]=4 2634 B13R1.528 Cc1ncccc1COC(C)CF 7a_100016041109_100000732876 [0,1,1,0,0,0|2,0,0]=4 2635 B13R1.528 Cc1ncccc1COC(C)CN 34a_100000210904_100000732876 [0,1,1,0,0,0|2,0,0]=4 2636 B13R1.528 Cc1ncccc1COC(C)CO 34a_100000729262_100012180447 [0,1,1,0,0,0|1,0,0]=3 2637 B13R1.528 Cc1ncccc1COC(C)CO 7a_100000729262_100012180447 [0,1,1,0,0,0|1,0,0]=3 2638 B13R1.528 Cc1ncccc1CSC(C)CO 62a_100012180447_100000732876 [0,1,1,0,0,0|1,1,0]=4 2639 B13R1.528 Cc1ncccc1CS[C@H](C)CO 62a_100000732876_100016084084 [0,1,1,0,0,0|1,1,0]=4 2640 B13R1.528 Cc1ncccc1CS[C@H](C)CO 62a_100016084084_100000732876 [0,1,1,0,0,0|1,1,0]=4 2641 B13R1.17 CC(OCCBr)c1ccc(cc1)Br 34a_100000211926_100000755118 [0,1,1,0,0,0|2,0,0]=4 2642 B13R1.17 CC(OCCBr)c1ccc(cc1)F 34a_100000211926_100000743420 [0,1,1,0,0,0|2,0,0]=4 2643 B13R1.17 CC(OCCF)c1ccc(cc1)Br 34a_100000745893_100011217306 [0,1,1,0,0,0|2,0,0]=4 2644 B13R1.17 CC(OCCF)c1ccc(cc1)Br 7a_100000745893_100011217306 [0,1,1,0,0,0|2,0,0]=4 2645 B13R1.17 CC(OCCF)c1ccc(cc1)F 34a_100000181323_100011217306 [0,1,1,0,0,0|2,0,0]=4 2646 B13R1.17 CC(OCCF)c1ccc(cc1)F 7a_100000181323_100011217306 [0,1,1,0,0,0|2,0,0]=4 2647 B13R1.17 CC(OCCF)c1ccc(cc1)N 34a_100011216399_100011217306 [0,1,1,0,0,0|2,0,0]=4 2648 B13R1.17 CC(OCCN)c1ccc(cc1)Br 34a_100000210304_100000755118 [0,1,1,0,0,0|2,0,0]=4 2649 B13R1.17 CC(OCCN)c1ccc(cc1)F 34a_100000210304_100000743420 [0,1,1,0,0,0|2,0,0]=4 2650 B13R1.17 CC(OCCO)c1ccc(cc1)Br 34a_100000745893_100000211926 [0,1,1,0,0,0|2,0,0]=4 2651 B13R1.17 CC(OCCO)c1ccc(cc1)Br 7a_100000745893_100000211926 [0,1,1,0,0,0|2,0,0]=4 2652 B13R1.17 CC(OCCO)c1ccc(cc1)F 34a_100000181323_100000211926 [0,1,1,0,0,0|2,0,0]=4 2653 B13R1.17 CC(OCCO)c1ccc(cc1)F 7a_100000181323_100000211926 [0,1,1,0,0,0|2,0,0]=4 2654 B13R1.17 CC(OCCO)c1ccc(cc1)N 34a_100011216399_100000211926 [0,1,1,0,0,0|2,0,0]=4 2655 B13R1.17 CCCNC(C)c1ccc(cc1)Br 269862a_100020643023_100000185794 [0,1,1,0,0,0|2,0,0]=4 2656 B13R1.17 CCCNC(C)c1ccc(cc1)C 269862a_100020643023_100000185793 [0,1,1,0,0,0|2,0,0]=4 2657 B13R1.17 CCCNC(C)c1ccc(cc1)Cl 269862a_100020643023_100000185797 [0,1,1,0,0,0|2,0,0]=4 2658 B13R1.17 CCCNC(C)c1ccc(cc1)F 269862a_100020643023_100000185800 [0,1,1,0,0,0|2,0,0]=4 2659 B13R1.17 CCCNC(C)c1ccc(cc1)I 269862a_100020643023_100000185465 [0,1,1,0,0,0|2,0,0]=4 2660 B13R1.17 CCCN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_100000210303 [0,1,1,0,0,0|2,0,0]=4 2661 B13R1.17 CCCN[C@@H](C)c1ccc(cc1)F 34a_100025705893_100000210303 [0,1,1,0,0,0|2,0,0]=4 2662 B13R1.17 CCCN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100000210303 [0,1,1,0,0,0|2,0,0]=4 2663 B13R1.17 CCCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000210303 [0,1,1,0,0,0|2,0,0]=4 2664 B13R1.17 CCCN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_100000210303 [0,1,1,0,0,0|2,0,0]=4 2665 B13R1.17 CCCN[C@H](C)c1ccc(cc1)C 2230a_100016988085_100000210303 [0,1,1,0,0,0|2,0,0]=4 2666 B13R1.17 CCCN[C@H](C)c1ccc(cc1)C 34a_100016988085_100000210303 [0,1,1,0,0,0|2,0,0]=4 2667 B13R1.17 CCCN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100000210303 [0,1,1,0,0,0|2,0,0]=4 2668 B13R1.17 CCCN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100000210303 [0,1,1,0,0,0|2,0,0]=4 2669 B13R1.17 CCCOC(C)c1ccc(cc1)Br 34a_100000210258_100000755118 [0,1,1,0,0,0|1,0,0]=3 2670 B13R1.17 CCCOC(C)c1ccc(cc1)Br 34a_100000745893_100000210303 [0,1,1,0,0,0|1,0,0]=3 2671 B13R1.17 CCCOC(C)c1ccc(cc1)Br 7a_100000745893_100000210303 [0,1,1,0,0,0|1,0,0]=3 2672 B13R1.17 CCCOC(C)c1ccc(cc1)C 34a_100000210258_100011261388 [0,1,1,0,0,0|1,0,0]=3 2673 B13R1.17 CCCOC(C)c1ccc(cc1)F 34a_100000181323_100000210303 [0,1,1,0,0,0|1,0,0]=3 2674 B13R1.17 CCCOC(C)c1ccc(cc1)F 34a_100000210258_100000743420 [0,1,1,0,0,0|1,0,0]=3 2675 B13R1.17 CCCOC(C)c1ccc(cc1)F 7a_100000181323_100000210303 [0,1,1,0,0,0|1,0,0]=3 2676 B13R1.17 CCCOC(C)c1ccc(cc1)N 34a_100011216399_100000210303 [0,1,1,0,0,0|1,0,0]=3 2677 B13R1.17 CCCOC(C)c1ccc(cn1)Br 34a_100012353650_100000210303 [0,1,1,0,0,0|2,0,0]=4 2678 B13R1.17 CCCOC(C)c1ccc(cn1)Br 7a_100012353650_100000210303 [0,1,1,0,0,0|2,0,0]=4 2679 B13R1.17 CCCOC(C)c1ccc(nc1)Br 34a_200010274204_100000210303 [0,1,1,0,0,0|2,0,0]=4 2680 B13R1.17 CCCOC(C)c1ccc(nc1)Br 7a_200010274204_100000210303 [0,1,1,0,0,0|2,0,0]=4 2681 B13R1.17 CCCOC(C)c1ccc(nc1)C 34a_200011815720_100000210303 [0,1,1,0,0,0|2,0,0]=4 2682 B13R1.17 CCCOC(C)c1ccc(nc1)C 7a_200011815720_100000210303 [0,1,1,0,0,0|2,0,0]=4 2683 B13R1.17 CCCOC(C)c1ccc(nc1)Cl 34a_200012017543_100000210303 [0,1,1,0,0,0|2,0,0]=4 2684 B13R1.17 CCCOC(C)c1ccc(nc1)Cl 7a_200012017543_100000210303 [0,1,1,0,0,0|2,0,0]=4 2685 B13R1.17 CCCO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100000210303 [0,1,1,0,0,0|1,0,0]=3 2686 B13R1.17 CCCO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100000210303 [0,1,1,0,0,0|1,0,0]=3 2687 B13R1.17 CCCO[C@H](C)c1ccc(cc1)C 34a_100000690690_100000210303 [0,1,1,0,0,0|1,0,0]=3 2688 B13R1.17 CCCO[C@H](C)c1ccc(cc1)C 7a_100000690690_100000210303 [0,1,1,0,0,0|1,0,0]=3 2689 B13R1.17 CCCSC(C)c1ccc(cc1)Br 62a_100000210303_100000755118 [0,1,1,0,0,0|1,1,0]=4 2690 B13R1.17 CCCSC(C)c1ccc(cc1)Br 62a_100000755118_100000210303 [0,1,1,0,0,0|1,1,0]=4 2691 B13R1.17 CCCSC(C)c1ccc(cc1)C 62a_100000210303_100011261388 [0,1,1,0,0,0|1,1,0]=4 2692 B13R1.17 CCCSC(C)c1ccc(cc1)C 62a_100011261388_100000210303 [0,1,1,0,0,0|1,1,0]=4 2693 B13R1.17 CCCSC(C)c1ccc(cc1)Cl 62a_100000210303_100000684792 [0,1,1,0,0,0|1,1,0]=4 2694 B13R1.17 CCCSC(C)c1ccc(cc1)Cl 62a_100000684792_100000210303 [0,1,1,0,0,0|1,1,0]=4 2695 B13R1.17 CCCSC(C)c1ccc(cc1)F 62a_100000210303_100000743420 [0,1,1,0,0,0|1,1,0]=4 2696 B13R1.17 CCCSC(C)c1ccc(cc1)F 62a_100000743420_100000210303 [0,1,1,0,0,0|1,1,0]=4 2697 B13R1.17 CCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000210202 [0,1,1,0,0,0|2,0,0]=4 2698 B13R1.17 CCNCC(O)c1ccc(cc1)Br 34a_100020626992_100000210202 [0,1,1,0,0,0|2,0,0]=4 2699 B13R1.17 CCNCC(O)c1ccc(cc1)C 2230a_200020610344_100000210202 [0,1,1,0,0,0|2,0,0]=4 2700 B13R1.17 CCNCC(O)c1ccc(cc1)C 34a_200020610344_100000210202 [0,1,1,0,0,0|2,0,0]=4 2701 B13R1.17 CCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000210202 [0,1,1,0,0,0|2,0,0]=4 2702 B13R1.17 CCNCC(O)c1ccc(cc1)Cl 2230a_100015525214_200011996143 [0,1,1,0,0,0|2,0,0]=4 2703 B13R1.17 CCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100000210202 [0,1,1,0,0,0|2,0,0]=4 2704 B13R1.17 CCNCC(O)c1ccc(cc1)O 34a_100000067596_100000210202 [0,1,1,0,0,0|2,0,0]=4 2705 B13R1.17 CCNC[C@H](O)c1ccc(cc1)F 2230a_100015525214_100000720402 [0,1,1,0,0,0|2,0,0]=4 2706 B13R1.17 CCOCC(O)c1ccc(cc1)Cl 34a_100121572206_200011996143 [0,1,1,0,0,0|2,0,0]=4 2707 B13R1.17 CCOC[C@H](O)c1ccc(cc1)F 34a_100121572206_100000720402 [0,1,1,0,0,0|2,0,0]=4 2708 B13R1.17 CCSCC(O)c1ccc(cc1)Cl 62a_100000210202_200011996143 [0,1,1,0,0,0|2,0,0]=4 2709 B13R1.17 CCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100000210202 [0,1,1,0,0,0|2,0,0]=4 2710 B13R1.17 CCSC[C@H](O)c1ccc(cc1)F 62a_100000210202_100000720402 [0,1,1,0,0,0|2,0,0]=4 2711 B13R1.17 CCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000210202 [0,1,1,0,0,0|2,0,0]=4 2712 B13R1.17 CSCOC(C)c1ccc(cc1)Br 34a_100000745893_100011218213 [0,1,1,0,0,0|2,0,0]=4 2713 B13R1.17 CSCOC(C)c1ccc(cc1)F 34a_100000181323_100011218213 [0,1,1,0,0,0|2,0,0]=4 2714 B13R1.17 CSCOC(C)c1ccc(cc1)N 34a_100011216399_100011218213 [0,1,1,0,0,0|2,0,0]=4 2715 B13R1.17 CSCO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100011218213 [0,1,1,0,0,0|2,0,0]=4 2716 B13R1.17 CSCO[C@H](C)c1ccc(cc1)C 34a_100000690690_100011218213 [0,1,1,0,0,0|2,0,0]=4 2717 B13R1.17 C[C@H](OCCF)c1ccc(cc1)Cl 34a_100011852131_100011217306 [0,1,1,0,0,0|2,0,0]=4 2718 B13R1.17 C[C@H](OCCF)c1ccc(cc1)Cl 7a_100011852131_100011217306 [0,1,1,0,0,0|2,0,0]=4 2719 B13R1.17 C[C@H](OCCO)c1ccc(cc1)Cl 34a_100011852131_100000211926 [0,1,1,0,0,0|2,0,0]=4 2720 B13R1.17 C[C@H](OCCO)c1ccc(cc1)Cl 7a_100011852131_100000211926 [0,1,1,0,0,0|2,0,0]=4 2721 B13R1.17 Cc1ccc(cc1)C(C)OCCBr 34a_100000211926_100011261388 [0,1,1,0,0,0|2,0,0]=4 2722 B13R1.17 Cc1ccc(cc1)C(C)OCCN 34a_100000210304_100011261388 [0,1,1,0,0,0|2,0,0]=4 2723 B13R1.17 Cc1ccc(cc1)[C@@H](C)OCCF 34a_100000690690_100011217306 [0,1,1,0,0,0|2,0,0]=4 2724 B13R1.17 Cc1ccc(cc1)[C@@H](C)OCCF 7a_100000690690_100011217306 [0,1,1,0,0,0|2,0,0]=4 2725 B13R1.17 Cc1ccc(cc1)[C@@H](C)OCCO 34a_100000690690_100000211926 [0,1,1,0,0,0|2,0,0]=4 2726 B13R1.17 Cc1ccc(cc1)[C@@H](C)OCCO 7a_100000690690_100000211926 [0,1,1,0,0,0|2,0,0]=4 2727 B13R1.17 [2H]C(OCCC)c1ccc(cc1)F 34a_217856618577_100000210303 [0,1,1,0,0,0|1,0,0]=3 2728 B13R1.17 [2H]C(OCCC)c1ccc(cc1)F 7a_217856618577_100000210303 [0,1,1,0,0,0|1,0,0]=3 2729 B13R1.17 [2H]C(OCCF)c1ccc(cc1)F 34a_217856618577_100011217306 [0,1,1,0,0,0|2,0,0]=4 2730 B13R1.17 [2H]C(OCCF)c1ccc(cc1)F 7a_217856618577_100011217306 [0,1,1,0,0,0|2,0,0]=4 2731 B13R1.17 [2H]C(OCCO)c1ccc(cc1)F 34a_217856618577_100000211926 [0,1,1,0,0,0|2,0,0]=4 2732 B13R1.17 [2H]C(OCCO)c1ccc(cc1)F 7a_217856618577_100000211926 [0,1,1,0,0,0|2,0,0]=4 2733 B13R1.17 [2H]C(OCSC)c1ccc(cc1)F 34a_217856618577_100011218213 [0,1,1,0,0,0|2,0,0]=4 2734 B13R1.18 CC(OCCF)c1cccc(c1)Br 34a_100000246457_100011217306 [0,1,1,0,0,0|2,0,0]=4 2735 B13R1.18 CC(OCCF)c1cccc(c1)Br 7a_100000246457_100011217306 [0,1,1,0,0,0|2,0,0]=4 2736 B13R1.18 CC(OCCF)c1cccc(c1)F 34a_100000744526_100011217306 [0,1,1,0,0,0|2,0,0]=4 2737 B13R1.18 CC(OCCF)c1cccc(c1)F 7a_100000744526_100011217306 [0,1,1,0,0,0|2,0,0]=4 2738 B13R1.18 CC(OCCF)c1cccc(c1)I 34a_100013085317_100011217306 [0,1,1,0,0,0|2,0,0]=4 2739 B13R1.18 CC(OCCF)c1cccc(c1)I 7a_100013085317_100011217306 [0,1,1,0,0,0|2,0,0]=4 2740 B13R1.18 CC(OCCF)c1cccc(c1)N 34a_100011217120_100011217306 [0,1,1,0,0,0|2,0,0]=4 2741 B13R1.18 CC(OCCF)c1cccc(c1)N 7a_100011217120_100011217306 [0,1,1,0,0,0|2,0,0]=4 2742 B13R1.18 CC(OCCO)c1cccc(c1)Br 34a_100000246457_100000211926 [0,1,1,0,0,0|2,0,0]=4 2743 B13R1.18 CC(OCCO)c1cccc(c1)Br 7a_100000246457_100000211926 [0,1,1,0,0,0|2,0,0]=4 2744 B13R1.18 CC(OCCO)c1cccc(c1)F 34a_100000744526_100000211926 [0,1,1,0,0,0|2,0,0]=4 2745 B13R1.18 CC(OCCO)c1cccc(c1)F 7a_100000744526_100000211926 [0,1,1,0,0,0|2,0,0]=4 2746 B13R1.18 CC(OCCO)c1cccc(c1)I 34a_100013085317_100000211926 [0,1,1,0,0,0|2,0,0]=4 2747 B13R1.18 CC(OCCO)c1cccc(c1)I 7a_100013085317_100000211926 [0,1,1,0,0,0|2,0,0]=4 2748 B13R1.18 CC(OCCO)c1cccc(c1)N 34a_100011217120_100000211926 [0,1,1,0,0,0|2,0,0]=4 2749 B13R1.18 CC(OCCO)c1cccc(c1)N 7a_100011217120_100000211926 [0,1,1,0,0,0|2,0,0]=4 2750 B13R1.18 CCCNC(C)c1cccc(c1)Br 2230a_100020642005_100000210303 [0,1,1,0,0,0|2,0,0]=4 2751 B13R1.18 CCCNC(C)c1cccc(c1)Br 269862a_100020643023_100000210093 [0,1,1,0,0,0|2,0,0]=4 2752 B13R1.18 CCCNC(C)c1cccc(c1)C 269862a_100020643023_100000211476 [0,1,1,0,0,0|2,0,0]=4 2753 B13R1.18 CCCNC(C)c1cccc(c1)Cl 2230a_100102723534_100000210303 [0,1,1,0,0,0|2,0,0]=4 2754 B13R1.18 CCCNC(C)c1cccc(c1)Cl 269862a_100020643023_200000210964 [0,1,1,0,0,0|2,0,0]=4 2755 B13R1.18 CCCNC(C)c1cccc(c1)Cl 34a_100102723534_100000210303 [0,1,1,0,0,0|2,0,0]=4 2756 B13R1.18 CCCNC(C)c1cccc(c1)F 269862a_100020643023_100000187083 [0,1,1,0,0,0|2,0,0]=4 2757 B13R1.18 CCCNC(C)c1cccc(c1)I 269862a_100020643023_100011356966 [0,1,1,0,0,0|2,0,0]=4 2758 B13R1.18 CCCNC(C)c1cccc(c1)O 2230a_100000740644_100000210303 [0,1,1,0,0,0|2,0,0]=4 2759 B13R1.18 CCCNC(C)c1cccc(c1)O 269862a_100020643023_100000211620 [0,1,1,0,0,0|2,0,0]=4 2760 B13R1.18 CCCN[C@H](C)c1cccc(c1)C 2230a_100000698126_100000210303 [0,1,1,0,0,0|2,0,0]=4 2761 B13R1.18 CCCN[C@H](C)c1cccc(c1)C 34a_100000698126_100000210303 [0,1,1,0,0,0|2,0,0]=4 2762 B13R1.18 CCCN[C@H](C)c1cccc(c1)F 2230a_100015193778_100000210303 [0,1,1,0,0,0|2,0,0]=4 2763 B13R1.18 CCCN[C@H](C)c1cccc(c1)F 34a_100015193778_100000210303 [0,1,1,0,0,0|2,0,0]=4 2764 B13R1.18 CCCOC(C)c1cc(ccn1)Cl 7a_100000144657_100000210303 [0,1,1,0,0,0|2,0,0]=4 2765 B13R1.18 CCCOC(C)c1cccc(c1)Br 34a_100000246457_100000210303 [0,1,1,0,0,0|1,0,0]=3 2766 B13R1.18 CCCOC(C)c1cccc(c1)Br 7a_100000246457_100000210303 [0,1,1,0,0,0|1,0,0]=3 2767 B13R1.18 CCCOC(C)c1cccc(c1)C 34a_100000757818_100000210303 [0,1,1,0,0,0|1,0,0]=3 2768 B13R1.18 CCCOC(C)c1cccc(c1)C 7a_100000757818_100000210303 [0,1,1,0,0,0|1,0,0]=3 2769 B13R1.18 CCCOC(C)c1cccc(c1)F 34a_100000744526_100000210303 [0,1,1,0,0,0|1,0,0]=3 2770 B13R1.18 CCCOC(C)c1cccc(c1)F 7a_100000744526_100000210303 [0,1,1,0,0,0|1,0,0]=3 2771 B13R1.18 CCCOC(C)c1cccc(c1)I 34a_100013085317_100000210303 [0,1,1,0,0,0|1,0,0]=3 2772 B13R1.18 CCCOC(C)c1cccc(c1)I 7a_100013085317_100000210303 [0,1,1,0,0,0|1,0,0]=3 2773 B13R1.18 CCCOC(C)c1cccc(c1)N 34a_100011217120_100000210303 [0,1,1,0,0,0|1,0,0]=3 2774 B13R1.18 CCCOC(C)c1cccc(c1)N 7a_100011217120_100000210303 [0,1,1,0,0,0|1,0,0]=3 2775 B13R1.18 CCCOC(C)c1cccc(n1)Br 7a_100009820884_100000210303 [0,1,1,0,0,0|2,0,0]=4 2776 B13R1.18 CCCOC(C)c1cccc(n1)C 34a_200011877368_100000210303 [0,1,1,0,0,0|2,0,0]=4 2777 B13R1.18 CCCOC(C)c1cccc(n1)C 7a_200011877368_100000210303 [0,1,1,0,0,0|2,0,0]=4 2778 B13R1.18 CCCOC(C)c1cncc(c1)Br 34a_100012351597_100000210303 [0,1,1,0,0,0|2,0,0]=4 2779 B13R1.18 CCCOC(C)c1cncc(c1)Br 7a_100012351597_100000210303 [0,1,1,0,0,0|2,0,0]=4 2780 B13R1.18 CCCO[C@H](C)c1cccc(c1)Cl 34a_100000747380_100000210303 [0,1,1,0,0,0|1,0,0]=3 2781 B13R1.18 CCCO[C@H](C)c1cccc(c1)Cl 7a_100000747380_100000210303 [0,1,1,0,0,0|1,0,0]=3 2782 B13R1.18 CCNCC(O)c1cccc(c1)O 2230a_100020657549_100000210202 [0,1,1,0,0,0|2,0,0]=4 2783 B13R1.18 CCNCC(O)c1cccc(c1)O 34a_100020657549_100000210202 [0,1,1,0,0,0|2,0,0]=4 2784 B13R1.18 CSCOC(C)c1cccc(c1)Br 34a_100000246457_100011218213 [0,1,1,0,0,0|2,0,0]=4 2785 B13R1.18 CSCOC(C)c1cccc(c1)C 34a_100000757818_100011218213 [0,1,1,0,0,0|2,0,0]=4 2786 B13R1.18 CSCOC(C)c1cccc(c1)F 34a_100000744526_100011218213 [0,1,1,0,0,0|2,0,0]=4 2787 B13R1.18 CSCOC(C)c1cccc(c1)I 34a_100013085317_100011218213 [0,1,1,0,0,0|2,0,0]=4 2788 B13R1.18 CSCOC(C)c1cccc(c1)N 34a_100011217120_100011218213 [0,1,1,0,0,0|2,0,0]=4 2789 B13R1.18 CSCO[C@H](C)c1cccc(c1)Cl 34a_100000747380_100011218213 [0,1,1,0,0,0|2,0,0]=4 2790 B13R1.18 C[C@@H](OCCF)c1cccc(c1)Cl 34a_100000747380_100011217306 [0,1,1,0,0,0|2,0,0]=4 2791 B13R1.18 C[C@@H](OCCF)c1cccc(c1)Cl 7a_100000747380_100011217306 [0,1,1,0,0,0|2,0,0]=4 2792 B13R1.18 C[C@@H](OCCO)c1cccc(c1)Cl 34a_100000747380_100000211926 [0,1,1,0,0,0|2,0,0]=4 2793 B13R1.18 C[C@@H](OCCO)c1cccc(c1)Cl 7a_100000747380_100000211926 [0,1,1,0,0,0|2,0,0]=4 2794 B13R1.18 Cc1cccc(c1)C(C)OCCF 34a_100000757818_100011217306 [0,1,1,0,0,0|2,0,0]=4 2795 B13R1.18 Cc1cccc(c1)C(C)OCCF 7a_100000757818_100011217306 [0,1,1,0,0,0|2,0,0]=4 2796 B13R1.18 Cc1cccc(c1)C(C)OCCO 34a_100000757818_100000211926 [0,1,1,0,0,0|2,0,0]=4 2797 B13R1.18 Cc1cccc(c1)C(C)OCCO 7a_100000757818_100000211926 [0,1,1,0,0,0|2,0,0]=4 2798 B13R1.24 C#CCCOC(C)c1ccccc1 34a_100011215631_100000211855 [0,1,1,0,0,0|1,0,1]=4 2799 B13R1.24 C#CCCO[C@H](C)c1ccccc1 34a_100000761318_100000688953 [0,1,1,0,0,0|1,0,1]=4 2800 B13R1.24 C#CCCO[C@H](C)c1ccccc1 7a_100000761318_100000688953 [0,1,1,0,0,0|1,0,1]=4 2801 B13R1.24 C#CCOCC(O)c1ccccc1 34a_100000210247_100000185958 [0,1,1,0,0,0|0,0,2]=4 2802 B13R1.24 C#CCOC[C@@H](O)c1ccccc1 34a_100000210247_100011933945 [0,1,1,0,0,0|0,0,2]=4 2803 B13R1.24 C/C=C/COC(C)c1ccccc1 34a_100016270725_100000211855 [0,1,1,0,0,0|1,0,1]=4 2804 B13R1.24 C/C=C/CO[C@H](C)c1ccccc1 34a_100000761318_100102629194 [0,1,1,0,0,0|1,0,1]=4 2805 B13R1.24 C/C=C/CO[C@H](C)c1ccccc1 7a_100000761318_100102629194 [0,1,1,0,0,0|1,0,1]=4 2806 B13R1.24 C=CCCOC(C)c1ccccc1 34a_100011205117_100000211855 [0,1,1,0,0,0|1,0,1]=4 2807 B13R1.24 C=CCCO[C@H](C)c1ccccc1 34a_100000761318_100000754431 [0,1,1,0,0,0|1,0,1]=4 2808 B13R1.24 C=CCCO[C@H](C)c1ccccc1 7a_100000761318_100000754431 [0,1,1,0,0,0|1,0,1]=4 2809 B13R1.24 C=CCOCC(O)c1ccccc1 34a_200000210373_100000185958 [0,1,1,0,0,0|0,0,2]=4 2810 B13R1.24 C=CCOC[C@@H](O)c1ccccc1 34a_200000210373_100011933945 [0,1,1,0,0,0|0,0,2]=4 2811 B13R1.24 CC#CCOC(C)c1ccccc1 34a_100000761923_100000211855 [0,1,1,0,0,0|1,0,1]=4 2812 B13R1.24 CC#CCO[C@H](C)c1ccccc1 34a_100000761318_100000748600 [0,1,1,0,0,0|1,0,1]=4 2813 B13R1.24 CC#CCO[C@H](C)c1ccccc1 7a_100000761318_100000748600 [0,1,1,0,0,0|1,0,1]=4 2814 B13R1.24 CC(COCCBr)c1ccccc1 34a_100000211926_100000756946 [0,1,1,0,0,0|2,0,0]=4 2815 B13R1.24 CC(COCCF)c1ccccc1 34a_100011215166_100011217306 [0,1,1,0,0,0|2,0,0]=4 2816 B13R1.24 CC(COCCF)c1ccccc1 7a_100011215166_100011217306 [0,1,1,0,0,0|2,0,0]=4 2817 B13R1.24 CC(COCCN)c1ccccc1 34a_100000210304_100000756946 [0,1,1,0,0,0|2,0,0]=4 2818 B13R1.24 CC(COCCO)c1ccccc1 34a_100011215166_100000211926 [0,1,1,0,0,0|2,0,0]=4 2819 B13R1.24 CC(COCCO)c1ccccc1 7a_100011215166_100000211926 [0,1,1,0,0,0|2,0,0]=4 2820 B13R1.24 CC(NCCCF)c1ccccc1 2230a_100015189416_100000230085 [0,1,1,0,0,0|2,0,0]=4 2821 B13R1.24 CC(NCCCF)c1ccccc1 269862a_100015189416_100000185851 [0,1,1,0,0,0|2,0,0]=4 2822 B13R1.24 CC(NCCCF)c1ccccc1 34a_100015189416_100000211855 [0,1,1,0,0,0|2,0,0]=4 2823 B13R1.24 CC(NCCCO)c1ccccc1 269862a_100000182051_100000185851 [0,1,1,0,0,0|2,0,0]=4 2824 B13R1.24 CC(OCCCBr)c1ccccc1 34a_100011217188_100000211855 [0,1,1,0,0,0|1,0,0]=3 2825 B13R1.24 CC(OCCCCl)c1ccccc1 34a_100000230001_100000211855 [0,1,1,0,0,0|1,0,0]=3 2826 B13R1.24 CC(OCCCF)c1ccccc1 34a_100000759539_100000211855 [0,1,1,0,0,0|1,0,0]=3 2827 B13R1.24 CC(OCCCN)c1ccccc1 34a_100000182051_100000211855 [0,1,1,0,0,0|1,0,0]=3 2828 B13R1.24 CC(OCCON)c1ccccc1 34a_100000700252_100000211855 [0,1,1,0,0,0|2,0,0]=4 2829 B13R1.24 CC(SCCCF)c1ccccc1 62a_100000230085_100011934791 [0,1,1,0,0,0|1,1,0]=4 2830 B13R1.24 CC(SCCCF)c1ccccc1 62a_100011934791_100000230085 [0,1,1,0,0,0|1,1,0]=4 2831 B13R1.24 CC(SCCCO)c1ccccc1 62a_100000230085_100011215043 [0,1,1,0,0,0|1,1,0]=4 2832 B13R1.24 CC(SCCCO)c1ccccc1 62a_100011215043_100000230085 [0,1,1,0,0,0|1,1,0]=4 2833 B13R1.24 CC=CCO[C@H](C)c1ccccc1 34a_100000761318_100000070051 [0,1,1,0,0,0|1,0,1]=4 2834 B13R1.24 CC=CCO[C@H](C)c1ccccc1 7a_100000761318_100000070051 [0,1,1,0,0,0|1,0,1]=4 2835 B13R1.24 CCCCNC(C)c1ccccc1 2230a_100000102301_100000230085 [0,1,1,0,0,0|2,0,0]=4 2836 B13R1.24 CCCCNC(C)c1ccccc1 269862a_100000102301_100000185851 [0,1,1,0,0,0|2,0,0]=4 2837 B13R1.24 CCCCNC(C)c1ccccc1 7a_106832991798_100000230085 [0,1,1,0,0,0|2,0,0]=4 2838 B13R1.24 CCCCN[C@H](C)c1ccccc1 2230a_100000751104_100000210211 [0,1,1,0,0,0|2,0,0]=4 2839 B13R1.24 CCCCOC(C)c1ccccc1 34a_100000210227_100000211855 [0,1,1,0,0,0|1,0,0]=3 2840 B13R1.24 CCCCOC(C)c1ccccc1 7a_100000210227_100000230085 [0,1,1,0,0,0|1,0,0]=3 2841 B13R1.24 CCCCO[C@H](C)c1ccccc1 34a_100000761318_100000210210 [0,1,1,0,0,0|1,0,0]=3 2842 B13R1.24 CCCCO[C@H](C)c1ccccc1 7a_100000761318_100000210211 [0,1,1,0,0,0|1,0,0]=3 2843 B13R1.24 CCCCSC(C)c1ccccc1 62a_100000210211_100000230085 [0,1,1,0,0,0|1,1,0]=4 2844 B13R1.24 CCCCSC(C)c1ccccc1 62a_100000230085_100000210210 [0,1,1,0,0,0|1,1,0]=4 2845 B13R1.24 CCCNCC(C)c1ccccc1 2230a_100000701038_100000210303 [0,1,1,0,0,0|2,0,0]=4 2846 B13R1.24 CCCNCC(C)c1ccccc1 270004a_100020643023_100000212034 [0,1,1,0,0,0|2,0,0]=4 2847 B13R1.24 CCCNCC(C)c1ccccc1 34a_100000701038_100000210303 [0,1,1,0,0,0|2,0,0]=4 2848 B13R1.24 CCCNCC(O)c1ccccc1 2230a_100000210709_100000210303 [0,1,1,0,0,0|1,0,0]=3 2849 B13R1.24 CCCNCC(O)c1ccccn1 2230a_100000691469_100000210303 [0,1,1,0,0,0|2,0,0]=4 2850 B13R1.24 CCCNCC(O)c1cccnc1 2230a_100020605170_100000210303 [0,1,1,0,0,0|2,0,0]=4 2851 B13R1.24 CCCOCC(C)c1ccccc1 34a_100000210258_100000756946 [0,1,1,0,0,0|1,0,0]=3 2852 B13R1.24 CCCOCC(C)c1ccccc1 34a_100011215166_100000210303 [0,1,1,0,0,0|1,0,0]=3 2853 B13R1.24 CCCOCC(C)c1ccccc1 7a_100011215166_100000210303 [0,1,1,0,0,0|1,0,0]=3 2854 B13R1.24 CCCOCC(O)c1ccccc1 34a_100000210258_100000185958 [0,1,1,0,0,0|0,0,0]=2 2855 B13R1.24 CCCOC[C@@H](N)c1ccccc1 34a_100000751927_100000210303 [0,1,1,0,0,0|1,0,0]=3 2856 B13R1.24 CCCOC[C@@H](N)c1ccncc1 34a_100138412524_100000210303 [0,1,1,0,0,0|2,0,0]=4 2857 B13R1.24 CCCOC[C@@H](O)c1ccccc1 34a_100000210258_100011933945 [0,1,1,0,0,0|0,0,0]=2 2858 B13R1.24 CCCSCC(C)c1ccccc1 62a_100000210303_100000756946 [0,1,1,0,0,0|1,1,0]=4 2859 B13R1.24 CCCSCC(C)c1ccccc1 62a_100000756946_100000210303 [0,1,1,0,0,0|1,1,0]=4 2860 B13R1.24 CCCSCC(O)c1ccccc1 62a_100000185958_100000210303 [0,1,1,0,0,0|0,1,0]=3 2861 B13R1.24 CCCSCC(O)c1ccccc1 62a_100000210303_100000185958 [0,1,1,0,0,0|0,1,0]=3 2862 B13R1.24 CCCSC[C@@H](O)c1ccccc1 62a_100000210303_100011933945 [0,1,1,0,0,0|0,1,0]=3 2863 B13R1.24 CCCSC[C@@H](O)c1ccccc1 62a_100011933945_100000210303 [0,1,1,0,0,0|0,1,0]=3 2864 B13R1.24 CCNCCC(C)c1ccccc1 270004a_100015525214_100000189432 [0,1,1,0,0,0|2,0,0]=4 2865 B13R1.24 CCNCCC(O)c1ccccc1 2230a_100000763605_100000210202 [0,1,1,0,0,0|1,0,0]=3 2866 B13R1.24 CCNCC[C@@H](O)c1ccccc1 2230a_100015525214_100000729684 [0,1,1,0,0,0|1,0,0]=3 2867 B13R1.24 CCOCC[C@@H](O)c1ccccc1 34a_100121572206_100000729684 [0,1,1,0,0,0|1,0,0]=3 2868 B13R1.24 CCOCC[C@H](N)c1ccccc1 34a_100025705951_100000210202 [0,1,1,0,0,0|2,0,0]=4 2869 B13R1.24 CCOCSC(C)c1ccccc1 62a_100000230085_100000739092 [0,1,1,0,0,0|1,1,0]=4 2870 B13R1.24 CCOCSC(C)c1ccccc1 62a_100000739092_100000230085 [0,1,1,0,0,0|1,1,0]=4 2871 B13R1.24 CCSCC[C@@H](O)c1ccccc1 62a_100000210202_100000729684 [0,1,1,0,0,0|1,0,0]=3 2872 B13R1.24 CCSCC[C@@H](O)c1ccccc1 62a_100000729684_100000210202 [0,1,1,0,0,0|1,0,0]=3 2873 B13R1.24 CCSCOC(=O)c1ccccc1 62a_100000073877_100000210202 [0,1,1,0,0,0|0,0,2]=4 2874 B13R1.24 CCSCOC(=O)c1ccccc1 62a_100000210202_100000073877 [0,1,1,0,0,0|0,0,2]=4 2875 B13R1.24 CNCCOC(=O)c1ccccc1 34a_100102657272_100009812718 [0,1,1,0,0,0|0,0,2]=4 2876 B13R1.24 CNCCOC(=O)c1ccccc1 7a_106832991635_100000184176 [0,1,1,0,0,0|0,0,2]=4 2877 B13R1.24 COCCCC(N)c1ccccc1 34a_100000759318_200000210301 [0,1,1,0,0,0|2,0,0]=4 2878 B13R1.24 COCCNC(C)c1ccccc1 2230a_100000209980_100000230085 [0,1,1,0,0,0|2,0,0]=4 2879 B13R1.24 COCCNC(C)c1ccccc1 269862a_100000209980_100000185851 [0,1,1,0,0,0|2,0,0]=4 2880 B13R1.24 COCCN[C@H](C)c1ccccc1 2230a_100000751104_100011201679 [0,1,1,0,0,0|2,0,0]=4 2881 B13R1.24 COCCOC(=O)c1ccccc1 34a_100138415774_100009812718 [0,1,1,0,0,0|0,0,2]=4 2882 B13R1.24 COCCOC(=O)c1ccccc1 7a_100000025465_200000210301 [0,1,1,0,0,0|0,0,2]=4 2883 B13R1.24 COCCOC(C)c1ccccc1 34a_100000210237_100000211855 [0,1,1,0,0,0|1,0,0]=3 2884 B13R1.24 COCCO[C@H](C)c1ccccc1 34a_100000761318_100011201679 [0,1,1,0,0,0|1,0,0]=3 2885 B13R1.24 COCCO[C@H](C)c1ccccc1 7a_100000761318_100000233755 [0,1,1,0,0,0|1,0,0]=3 2886 B13R1.24 COCCSC(C)c1ccccc1 62a_100000230085_100000233755 [0,1,1,0,0,0|1,1,0]=4 2887 B13R1.24 COCCSC(C)c1ccccc1 62a_100000233755_100000230085 [0,1,1,0,0,0|1,1,0]=4 2888 B13R1.24 COCNCC(O)c1ccccc1 2230a_100000210709_100000766300 [0,1,1,0,0,0|2,0,0]=4 2889 B13R1.24 COCSCC(O)c1ccccc1 62a_100000185958_100000766300 [0,1,1,0,0,0|1,1,0]=4 2890 B13R1.24 COCSCC(O)c1ccccc1 62a_100000766300_100000185958 [0,1,1,0,0,0|1,1,0]=4 2891 B13R1.24 COCSC[C@@H](O)c1ccccc1 62a_100000766300_100011933945 [0,1,1,0,0,0|1,1,0]=4 2892 B13R1.24 COCSC[C@@H](O)c1ccccc1 62a_100011933945_100000766300 [0,1,1,0,0,0|1,1,0]=4 2893 B13R1.24 CSCCNC(C)c1ccccc1 2230a_100020590264_100000230085 [0,1,1,0,0,0|2,0,0]=4 2894 B13R1.24 CSCCNC(C)c1ccccc1 269862a_100020590264_100000185851 [0,1,1,0,0,0|2,0,0]=4 2895 B13R1.24 CSCCN[C@H](C)c1ccccc1 2230a_100000751104_100000751147 [0,1,1,0,0,0|2,0,0]=4 2896 B13R1.24 CSCCOC(=O)c1ccccc1 62a_100009812718_200000210301 [0,1,1,0,0,0|0,0,2]=4 2897 B13R1.24 CSCCOC(=O)c1ccccc1 62a_200000210301_100009812718 [0,1,1,0,0,0|0,0,2]=4 2898 B13R1.24 CSCCOC(C)c1ccccc1 34a_100000230434_100000211855 [0,1,1,0,0,0|1,0,0]=3 2899 B13R1.24 CSCCOC(C)c1ccccc1 7a_100000230434_100000230085 [0,1,1,0,0,0|1,0,0]=3 2900 B13R1.24 CSCCO[C@H](C)c1ccccc1 34a_100000761318_100000212216 [0,1,1,0,0,0|1,0,0]=3 2901 B13R1.24 CSCCO[C@H](C)c1ccccc1 7a_100000761318_100000212216 [0,1,1,0,0,0|1,0,0]=3 2902 B13R1.24 CSCCSC(C)c1ccccc1 62a_100000212216_100000230085 [0,1,1,0,0,0|1,1,0]=4 2903 B13R1.24 CSCCSC(C)c1ccccc1 62a_100000230085_100000751147 [0,1,1,0,0,0|1,1,0]=4 2904 B13R1.24 CSCNCC(O)c1ccccc1 2230a_100000210709_100011218213 [0,1,1,0,0,0|2,0,0]=4 2905 B13R1.24 CSCOCC(C)c1ccccc1 34a_100011215166_100011218213 [0,1,1,0,0,0|2,0,0]=4 2906 B13R1.24 CSCOC[C@@H](N)c1ccccc1 34a_100000751927_100011218213 [0,1,1,0,0,0|2,0,0]=4 2907 B13R1.24 CSCSCC(O)c1ccccc1 62a_100000185958_100011218213 [0,1,1,0,0,0|1,1,0]=4 2908 B13R1.24 CSCSCC(O)c1ccccc1 62a_100011218213_100000185958 [0,1,1,0,0,0|1,1,0]=4 2909 B13R1.24 CSCSC[C@@H](O)c1ccccc1 62a_100011218213_100011933945 [0,1,1,0,0,0|1,1,0]=4 2910 B13R1.24 CSCSC[C@@H](O)c1ccccc1 62a_100011933945_100011218213 [0,1,1,0,0,0|1,1,0]=4 2911 B13R1.24 C[C@@H](NCCCF)c1ccccc1 2230a_100000751104_100011934791 [0,1,1,0,0,0|2,0,0]=4 2912 B13R1.24 C[C@@H](NCCCO)c1ccccc1 2230a_100000751104_100000230001 [0,1,1,0,0,0|2,0,0]=4 2913 B13R1.24 C[C@@H](OCCC#N)c1ccccc1 7a_100000761318_100000184422 [0,1,1,0,0,0|1,0,1]=4 2914 B13R1.24 C[C@@H](OCCCF)c1ccccc1 34a_100000761318_100011934791 [0,1,1,0,0,0|1,0,0]=3 2915 B13R1.24 C[C@@H](OCCCF)c1ccccc1 7a_100000761318_100011934791 [0,1,1,0,0,0|1,0,0]=3 2916 B13R1.24 C[C@@H](OCCCO)c1ccccc1 34a_100000761318_100000230001 [0,1,1,0,0,0|1,0,0]=3 2917 B13R1.24 C[C@@H](OCCCO)c1ccccc1 7a_100000761318_100011215043 [0,1,1,0,0,0|1,0,0]=3 2918 B13R1.24 NCCOCC(O)c1ccccc1 34a_100000210304_100000185958 [0,1,1,0,0,0|1,0,0]=3 2919 B13R1.24 NCCOC[C@@H](O)c1ccccc1 34a_100000210304_100011933945 [0,1,1,0,0,0|1,0,0]=3 2920 B13R1.24 N[C@H](COCCF)c1ccccc1 34a_100000751927_100011217306 [0,1,1,0,0,0|2,0,0]=4 2921 B13R1.24 N[C@H](COCCO)c1ccccc1 34a_100000751927_100000211926 [0,1,1,0,0,0|2,0,0]=4 2922 B13R1.24 OC(CNCCF)c1ccccc1 2230a_100000210709_100011217306 [0,1,1,0,0,0|2,0,0]=4 2923 B13R1.24 OC(CNCCF)c1ccccc1 34a_100000724931_100000185958 [0,1,1,0,0,0|2,0,0]=4 2924 B13R1.24 OC(COCCBr)c1ccccc1 34a_100000211926_100000185958 [0,1,1,0,0,0|1,0,0]=3 2925 B13R1.24 OC(CSCCF)c1ccccc1 62a_100000185958_100011217306 [0,1,1,0,0,0|1,1,0]=4 2926 B13R1.24 OC(CSCCF)c1ccccc1 62a_100011217306_100000185958 [0,1,1,0,0,0|1,1,0]=4 2927 B13R1.24 OCCNCC(O)c1ccccc1 2230a_100000210709_100000211926 [0,1,1,0,0,0|2,0,0]=4 2928 B13R1.24 OCCNCC(O)c1ccccc1 2230a_100016997473_100000185958 [0,1,1,0,0,0|2,0,0]=4 2929 B13R1.24 OCCNCC(O)c1ccccc1 34a_100016990907_100000185958 [0,1,1,0,0,0|2,0,0]=4 2930 B13R1.24 OCCNC[C@@H](O)c1ccccc1 2230a_100016997473_100011933945 [0,1,1,0,0,0|2,0,0]=4 2931 B13R1.24 OCCNC[C@@H](O)c1ccccc1 34a_100016990907_100011933945 [0,1,1,0,0,0|2,0,0]=4 2932 B13R1.24 OCCSCC(O)c1ccccc1 62a_100000185958_100000211926 [0,1,1,0,0,0|1,1,0]=4 2933 B13R1.24 OCCSCC(O)c1ccccc1 62a_100000211926_100000185958 [0,1,1,0,0,0|1,1,0]=4 2934 B13R1.24 OCCSC[C@@H](O)c1ccccc1 62a_100000211926_100011933945 [0,1,1,0,0,0|1,1,0]=4 2935 B13R1.24 OCCSC[C@@H](O)c1ccccc1 62a_100011933945_100000211926 [0,1,1,0,0,0|1,1,0]=4 2936 B13R1.24 O[C@H](CCSCF)c1ccccc1 62a_100000729684_100015361967 [0,1,1,0,0,0|2,0,0]=4 2937 B13R1.24 O[C@H](CCSCF)c1ccccc1 62a_100015361967_100000729684 [0,1,1,0,0,0|2,0,0]=4 2938 B13R1.24 O[C@H](CNCCF)c1ccccc1 34a_100000724931_100011933945 [0,1,1,0,0,0|2,0,0]=4 2939 B13R1.24 O[C@H](COCCBr)c1ccccc1 34a_100000211926_100011933945 [0,1,1,0,0,0|1,0,0]=3 2940 B13R1.24 O[C@H](CSCCF)c1ccccc1 62a_100011217306_100011933945 [0,1,1,0,0,0|1,1,0]=4 2941 B13R1.24 O[C@H](CSCCF)c1ccccc1 62a_100011933945_100011217306 [0,1,1,0,0,0|1,1,0]=4 2942 B13R1.24 [13CH3]OCCCC(N)c1ccccc1 34a_100000759318_200025704644 [0,1,1,0,0,0|2,0,0]=4 2943 B13R1.24 [13CH3]OCCOC(=O)c1ccccc1 7a_100000025465_200025704644 [0,1,1,0,0,0|0,0,2]=4 2944 B13R1.24 [13CH3]SCCOC(=O)c1ccccc1 62a_100009812718_200025704644 [0,1,1,0,0,0|0,0,2]=4 2945 B13R1.24 [13CH3]SCCOC(=O)c1ccccc1 62a_200025704644_100009812718 [0,1,1,0,0,0|0,0,2]=4 2946 B13R1.45 C=C(C)COC(C)c1ccccc1 34a_100000210245_100000211855 [0,1,1,0,0,0|1,0,1]=4 2947 B13R1.45 C=C(C)CO[C@H](C)c1ccccc1 34a_100000761318_100000748629 [0,1,1,0,0,0|1,0,1]=4 2948 B13R1.45 C=C(C)CO[C@H](C)c1ccccc1 7a_100000761318_100000748629 [0,1,1,0,0,0|1,0,1]=4 2949 B13R1.45 CC(=O)CC[C@@H](O)c1ccccc1 1458a_100000070787_100000729684 [0,1,1,0,0,0|1,0,1]=4 2950 B13R1.45 CC(=O)COC(C)c1ccccc1 34a_100000211253_100000211855 [0,1,1,0,0,0|1,0,1]=4 2951 B13R1.45 CC(Br)COC(C)c1ccccc1 34a_100012180447_100000211855 [0,1,1,0,0,0|1,0,0]=3 2952 B13R1.45 CC(C)CNC(C)c1ccccc1 2230a_100000210953_100000230085 [0,1,1,0,0,0|2,0,0]=4 2953 B13R1.45 CC(C)CNC(C)c1ccccc1 269862a_100000210953_100000185851 [0,1,1,0,0,0|2,0,0]=4 2954 B13R1.45 CC(C)CNC(C)c1ccccc1 34a_100000210953_100000211855 [0,1,1,0,0,0|2,0,0]=4 2955 B13R1.45 CC(C)CN[C@H](C)c1ccccc1 2230a_100000751104_100000210760 [0,1,1,0,0,0|2,0,0]=4 2956 B13R1.45 CC(C)CN[C@H](C)c1ccccc1 270004a_100000751104_100000210432 [0,1,1,0,0,0|2,0,0]=4 2957 B13R1.45 CC(C)COC(C)c1ccccc1 34a_100000210257_100000211855 [0,1,1,0,0,0|1,0,0]=3 2958 B13R1.45 CC(C)CO[C@H](C)c1ccccc1 34a_100000761318_100000210624 [0,1,1,0,0,0|1,0,0]=3 2959 B13R1.45 CC(C)CO[C@H](C)c1ccccc1 7a_100000761318_100000210760 [0,1,1,0,0,0|1,0,0]=3 2960 B13R1.45 CC(C)CSC(C)c1ccccc1 62a_100000210624_100000230085 [0,1,1,0,0,0|1,1,0]=4 2961 B13R1.45 CC(C)CSC(C)c1ccccc1 62a_100000230085_100000210760 [0,1,1,0,0,0|1,1,0]=4 2962 B13R1.45 CC(C)NCC(O)c1ccccc1 2230a_100000210709_100000210206 [0,1,1,0,0,0|2,0,0]=4 2963 B13R1.45 CC(C)NCC(O)c1ccccc1 2230a_100138425928_100000185958 [0,1,1,0,0,0|2,0,0]=4 2964 B13R1.45 CC(C)NCC(O)c1ccccc1 34a_100138425928_100000185958 [0,1,1,0,0,0|2,0,0]=4 2965 B13R1.45 CC(C)NC[C@@H](O)c1ccccc1 2230a_100138425928_100011933945 [0,1,1,0,0,0|2,0,0]=4 2966 B13R1.45 CC(C)NC[C@@H](O)c1ccccc1 34a_100138425928_100011933945 [0,1,1,0,0,0|2,0,0]=4 2967 B13R1.45 CC(C)OCC(O)c1ccccc1 34a_100000212225_100000185958 [0,1,1,0,0,0|2,0,0]=4 2968 B13R1.45 CC(C)OC[C@@H](O)c1ccccc1 34a_100000212225_100011933945 [0,1,1,0,0,0|2,0,0]=4 2969 B13R1.45 CC(C)SCC(O)c1ccccc1 62a_100000185958_100000210206 [0,1,1,0,0,0|2,0,0]=4 2970 B13R1.45 CC(C)SCC(O)c1ccccc1 62a_100000210206_100000185958 [0,1,1,0,0,0|2,0,0]=4 2971 B13R1.45 CC(C)SC[C@@H](O)c1ccccc1 62a_100000210206_100011933945 [0,1,1,0,0,0|2,0,0]=4 2972 B13R1.45 CC(C)SC[C@@H](O)c1ccccc1 62a_100011933945_100000210206 [0,1,1,0,0,0|2,0,0]=4 2973 B13R1.45 CC(F)COC(C)c1ccccc1 34a_100015925927_100000211855 [0,1,1,0,0,0|1,0,0]=3 2974 B13R1.45 CC(O)CNC(C)c1ccccc1 2230a_100000210904_100000230085 [0,1,1,0,0,0|2,0,0]=4 2975 B13R1.45 CC(O)CNC(C)c1ccccc1 269862a_100000210904_100000185851 [0,1,1,0,0,0|2,0,0]=4 2976 B13R1.45 CC(O)CNC(C)c1ccccc1 34a_100000210904_100000211855 [0,1,1,0,0,0|2,0,0]=4 2977 B13R1.45 CC(O)CN[C@H](C)c1ccccc1 2230a_100000751104_100011218427 [0,1,1,0,0,0|2,0,0]=4 2978 B13R1.45 CC(O)CO[C@H](C)c1ccccc1 34a_100000761318_100011218427 [0,1,1,0,0,0|1,0,0]=3 2979 B13R1.45 CC(O)CO[C@H](C)c1ccccc1 7a_100000761318_100011218427 [0,1,1,0,0,0|1,0,0]=3 2980 B13R1.45 CC(O)CSC(C)c1ccccc1 62a_100000230085_100011218427 [0,1,1,0,0,0|1,1,0]=4 2981 B13R1.45 CC(O)CSC(C)c1ccccc1 62a_100011218427_100000230085 [0,1,1,0,0,0|1,1,0]=4 2982 B13R1.45 CC(OCC(F)F)c1ccccc1 34a_100000743014_100000211855 [0,1,1,0,0,0|2,0,0]=4 2983 B13R1.45 CC(OC[C@@H](C)Cl)c1ccccc1 34a_100016084084_100000211855 [0,1,1,0,0,0|1,0,0]=3 2984 B13R1.45 CC(OC[C@@H](C)N)c1ccccc1 34a_100000737577_100000211855 [0,1,1,0,0,0|1,0,0]=3 2985 B13R1.45 CC(SC[C@@H](C)O)c1ccccc1 62a_100000230085_100009817552 [0,1,1,0,0,0|1,1,0]=4 2986 B13R1.45 CC(SC[C@@H](C)O)c1ccccc1 62a_100009817552_100000230085 [0,1,1,0,0,0|1,1,0]=4 2987 B13R1.45 CN(C)CCC(O)c1ccccc1 2230a_100011218556_200000210301 [0,1,1,0,0,0|2,0,0]=4 2988 B13R1.45 CN(C)CCC(O)c1ccccc1 269982a_100011218556_200000210301 [0,1,1,0,0,0|2,0,0]=4 2989 B13R1.45 CN(C)CC[C@@H](O)c1ccccc1 2230a_100102631434_100000729684 [0,1,1,0,0,0|2,0,0]=4 2990 B13R1.45 CN(C)CC[C@@H](O)c1ccccc1 269982a_100102631434_100000729684 [0,1,1,0,0,0|2,0,0]=4 2991 B13R1.45 CN([13CH3])CCC(O)c1ccccc1 2230a_100011218556_200025704644 [0,1,1,0,0,0|2,0,0]=4 2992 B13R1.45 CN([13CH3])CCC(O)c1ccccc1 269982a_100011218556_200025704644 [0,1,1,0,0,0|2,0,0]=4 2993 B13R1.45 C[C@@H](O)CN[C@H](C)c1ccccc1 2230a_100000751104_100009817552 [0,1,1,0,0,0|2,0,0]=4 2994 B13R1.45 C[C@@H](O)CO[C@H](C)c1ccccc1 34a_100000761318_100009817552 [0,1,1,0,0,0|1,0,0]=3 2995 B13R1.45 C[C@@H](O)CO[C@H](C)c1ccccc1 7a_100000761318_100009817552 [0,1,1,0,0,0|1,0,0]=3 2996 B13R1.45 C[C@@H](OCC(F)F)c1ccccc1 34a_100000761318_100011934356 [0,1,1,0,0,0|2,0,0]=4 2997 B13R1.45 C[C@@H](OCC(F)F)c1ccccc1 7a_100000761318_100011934356 [0,1,1,0,0,0|2,0,0]=4 2998 B13R1.47 CCCC(=O)C(C)c1ccccc1 1458a_100000211992_100000230085 [0,1,1,0,0,0|2,0,0]=4 2999 B13R1.47 CCCC(=O)C(F)c1ccccc1 1458a_100000698975_100000210303 [0,1,1,0,0,0|2,0,0]=4 3000 B13R1.47 CCCC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000210303 [0,1,1,0,0,0|2,0,0]=4 3001 B13R1.47 CCCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000210303 [0,1,1,0,0,0|1,0,0]=3 3002 B13R1.47 CCCN(C)C(C)c1ccccc1 2230a_100000195388_100000210303 [0,1,1,0,0,0|2,0,0]=4 3003 B13R1.47 CCCN(C)C(C)c1ccccc1 2230a_100000747261_100000230085 [0,1,1,0,0,0|2,0,0]=4 3004 B13R1.47 CCCN(C)C(C)c1ccccc1 2230a_100020603006_200000210301 [0,1,1,0,0,0|2,0,0]=4 3005 B13R1.47 CCCN(C)C(C)c1ccccc1 269982a_100000195388_100000210303 [0,1,1,0,0,0|2,0,0]=4 3006 B13R1.47 CCCN(C)C(C)c1ccccc1 269982a_100000747261_100000230085 [0,1,1,0,0,0|2,0,0]=4 3007 B13R1.47 CCCN(C)C(C)c1ccccc1 269982a_100020603006_200000210301 [0,1,1,0,0,0|2,0,0]=4 3008 B13R1.47 CCCN([13CH3])C(C)c1ccccc1 2230a_100020603006_200025704644 [0,1,1,0,0,0|2,0,0]=4 3009 B13R1.47 CCCN([13CH3])C(C)c1ccccc1 269982a_100020603006_200025704644 [0,1,1,0,0,0|2,0,0]=4 3010 B13R1.47 CCNC(=O)[C@H](O)c1ccccc1 240690a_100015525214_100000684486 [0,1,1,0,0,0|2,0,0]=4 3011 B13R1.47 O=C(CCF)[C@H](O)c1ccccc1 1458a_100000684486_100011217306 [0,1,1,0,0,0|2,0,0]=4 3012 B13R1.47 O=C(CCO)[C@H](O)c1ccccc1 1458a_100000684486_100000211926 [0,1,1,0,0,0|2,0,0]=4 3013 B13R1.122 CC(C)(OCCF)c1ccccc1 7a_100000694644_100011217306 [0,1,1,0,0,0|2,0,0]=4 3014 B13R1.122 CC(C)(OCCO)c1ccccc1 7a_100000694644_100000211926 [0,1,1,0,0,0|2,0,0]=4 3015 B13R1.122 CCCNC(C)(C)c1ccccc1 2230a_100011218174_100000210303 [0,1,1,0,0,0|2,0,0]=4 3016 B13R1.122 CCCOC(C)(C)c1ccccc1 7a_100000694644_100000210303 [0,1,1,0,0,0|1,0,0]=3 3017 B13R1.122 CCCOC(C)(C)c1ccccn1 7a_100000041474_100000210303 [0,1,1,0,0,0|2,0,0]=4 3018 B13R1.122 CCCSC(C)(C)c1ccccc1 62a_100000034625_100000210303 [0,1,1,0,0,0|1,1,0]=4 3019 B13R1.122 CCCSC(C)(C)c1ccccc1 62a_100000210303_100000034625 [0,1,1,0,0,0|1,1,0]=4 3020 B13R1.122 CCCSC(F)(F)c1ccccc1 62a_100000210303_100000036403 [0,1,1,0,0,0|1,1,0]=4 3021 B13R1.122 CCNCC(C)(O)c1ccccc1 2230a_100011660926_100000210202 [0,1,1,0,0,0|2,0,0]=4 3022 B13R1.674 CC(OCCBr)c1ccccc1F 34a_100000211926_200000741388 [0,1,1,0,0,0|2,0,0]=4 3023 B13R1.674 CC(OCCF)c1ccccc1Br 34a_100000702211_100011217306 [0,1,1,0,0,0|2,0,0]=4 3024 B13R1.674 CC(OCCF)c1ccccc1Br 7a_100000702211_100011217306 [0,1,1,0,0,0|2,0,0]=4 3025 B13R1.674 CC(OCCF)c1ccccc1Cl 34a_100000740796_100011217306 [0,1,1,0,0,0|2,0,0]=4 3026 B13R1.674 CC(OCCF)c1ccccc1Cl 7a_100000740796_100011217306 [0,1,1,0,0,0|2,0,0]=4 3027 B13R1.674 CC(OCCF)c1ccccc1F 34a_100000697922_100011217306 [0,1,1,0,0,0|2,0,0]=4 3028 B13R1.674 CC(OCCF)c1ccccc1F 7a_100000697922_100011217306 [0,1,1,0,0,0|2,0,0]=4 3029 B13R1.674 CC(OCCF)c1ccccc1N 7a_100011405641_100011217306 [0,1,1,0,0,0|2,0,0]=4 3030 B13R1.674 CC(OCCN)c1ccccc1F 34a_100000210304_200000741388 [0,1,1,0,0,0|2,0,0]=4 3031 B13R1.674 CC(OCCO)c1ccccc1Br 34a_100000702211_100000211926 [0,1,1,0,0,0|2,0,0]=4 3032 B13R1.674 CC(OCCO)c1ccccc1Br 7a_100000702211_100000211926 [0,1,1,0,0,0|2,0,0]=4 3033 B13R1.674 CC(OCCO)c1ccccc1Cl 34a_100000740796_100000211926 [0,1,1,0,0,0|2,0,0]=4 3034 B13R1.674 CC(OCCO)c1ccccc1Cl 7a_100000740796_100000211926 [0,1,1,0,0,0|2,0,0]=4 3035 B13R1.674 CC(OCCO)c1ccccc1F 34a_100000697922_100000211926 [0,1,1,0,0,0|2,0,0]=4 3036 B13R1.674 CC(OCCO)c1ccccc1F 7a_100000697922_100000211926 [0,1,1,0,0,0|2,0,0]=4 3037 B13R1.674 CC(OCCO)c1ccccc1N 7a_100011405641_100000211926 [0,1,1,0,0,0|2,0,0]=4 3038 B13R1.674 CCCNC(C)c1ccccc1Br 2230a_100000181357_100000210303 [0,1,1,0,0,0|2,0,0]=4 3039 B13R1.674 CCCNC(C)c1ccccc1Br 269862a_100020643023_100000187085 [0,1,1,0,0,0|2,0,0]=4 3040 B13R1.674 CCCNC(C)c1ccccc1C 2230a_100000181355_100000210303 [0,1,1,0,0,0|2,0,0]=4 3041 B13R1.674 CCCNC(C)c1ccccc1C 269862a_100020643023_100000211656 [0,1,1,0,0,0|2,0,0]=4 3042 B13R1.674 CCCNC(C)c1ccccc1C 34a_100000181355_100000210303 [0,1,1,0,0,0|2,0,0]=4 3043 B13R1.674 CCCNC(C)c1ccccc1Cl 2230a_100000174978_100000210303 [0,1,1,0,0,0|2,0,0]=4 3044 B13R1.674 CCCNC(C)c1ccccc1Cl 269862a_100020643023_100000210134 [0,1,1,0,0,0|2,0,0]=4 3045 B13R1.674 CCCNC(C)c1ccccc1Cl 34a_100000174978_100000210303 [0,1,1,0,0,0|2,0,0]=4 3046 B13R1.674 CCCNC(C)c1ccccc1F 2230a_100000181408_100000210303 [0,1,1,0,0,0|2,0,0]=4 3047 B13R1.674 CCCNC(C)c1ccccc1F 269862a_100020643023_100000210632 [0,1,1,0,0,0|2,0,0]=4 3048 B13R1.674 CCCNC(C)c1ccccc1F 34a_100000181408_100000210303 [0,1,1,0,0,0|2,0,0]=4 3049 B13R1.674 CCCNC(C)c1ccccc1I 269862a_100020643023_100000751169 [0,1,1,0,0,0|2,0,0]=4 3050 B13R1.674 CCCNC(C)c1ccccc1O 271570a_203496583355_100000741022 [0,1,1,0,0,0|2,0,0]=4 3051 B13R1.674 CCCN[C@H](C)c1ccccc1O 2230a_100025703389_100000210303 [0,1,1,0,0,0|2,0,0]=4 3052 B13R1.674 CCCOC(C)c1ccccc1Br 34a_100000702211_100000210303 [0,1,1,0,0,0|1,0,0]=3 3053 B13R1.674 CCCOC(C)c1ccccc1Br 7a_100000702211_100000210303 [0,1,1,0,0,0|1,0,0]=3 3054 B13R1.674 CCCOC(C)c1ccccc1C 34a_100000742021_100000210303 [0,1,1,0,0,0|1,0,0]=3 3055 B13R1.674 CCCOC(C)c1ccccc1C 7a_100000742021_100000210303 [0,1,1,0,0,0|1,0,0]=3 3056 B13R1.674 CCCOC(C)c1ccccc1Cl 34a_100000740796_100000210303 [0,1,1,0,0,0|1,0,0]=3 3057 B13R1.674 CCCOC(C)c1ccccc1Cl 7a_100000740796_100000210303 [0,1,1,0,0,0|1,0,0]=3 3058 B13R1.674 CCCOC(C)c1ccccc1F 34a_100000210258_200000741388 [0,1,1,0,0,0|1,0,0]=3 3059 B13R1.674 CCCOC(C)c1ccccc1F 34a_100000697922_100000210303 [0,1,1,0,0,0|1,0,0]=3 3060 B13R1.674 CCCOC(C)c1ccccc1F 7a_100000697922_100000210303 [0,1,1,0,0,0|1,0,0]=3 3061 B13R1.674 CCCOC(C)c1ccccc1N 7a_100011405641_100000210303 [0,1,1,0,0,0|1,0,0]=3 3062 B13R1.674 CCCOC(C)c1cccnc1Cl 34a_100009865335_100000210303 [0,1,1,0,0,0|2,0,0]=4 3063 B13R1.674 CCCOC(C)c1cccnc1Cl 7a_100009865335_100000210303 [0,1,1,0,0,0|2,0,0]=4 3064 B13R1.674 CCCOC(C)c1ccncc1F 34a_100012180158_100000210303 [0,1,1,0,0,0|2,0,0]=4 3065 B13R1.674 CCCO[C@@H](C)c1ncccc1Br 7a_100013325542_100000210303 [0,1,1,0,0,0|2,0,0]=4 3066 B13R1.674 CCCSC(C)c1ccccc1Cl 62a_100000181259_100000210303 [0,1,1,0,0,0|1,1,0]=4 3067 B13R1.674 CCCSC(C)c1ccccc1Cl 62a_100000210303_100000181259 [0,1,1,0,0,0|1,1,0]=4 3068 B13R1.674 CCCSC(C)c1ccccc1F 62a_100000210303_200000741388 [0,1,1,0,0,0|1,1,0]=4 3069 B13R1.674 CCCSC(C)c1ccccc1F 62a_200000741388_100000210303 [0,1,1,0,0,0|1,1,0]=4 3070 B13R1.674 CCNCC(O)c1ccccc1Br 2230a_100011236429_100000210202 [0,1,1,0,0,0|2,0,0]=4 3071 B13R1.674 CCNCC(O)c1ccccc1Cl 2230a_200000759403_100000210202 [0,1,1,0,0,0|2,0,0]=4 3072 B13R1.674 CCNCC(O)c1ccccc1Cl 34a_200000759403_100000210202 [0,1,1,0,0,0|2,0,0]=4 3073 B13R1.674 CSCOC(C)c1ccccc1Br 34a_100000702211_100011218213 [0,1,1,0,0,0|2,0,0]=4 3074 B13R1.674 CSCOC(C)c1ccccc1C 34a_100000742021_100011218213 [0,1,1,0,0,0|2,0,0]=4 3075 B13R1.674 CSCOC(C)c1ccccc1Cl 34a_100000740796_100011218213 [0,1,1,0,0,0|2,0,0]=4 3076 B13R1.674 CSCOC(C)c1ccccc1F 34a_100000697922_100011218213 [0,1,1,0,0,0|2,0,0]=4 3077 B13R1.674 Cc1ccccc1C(C)OCCF 34a_100000742021_100011217306 [0,1,1,0,0,0|2,0,0]=4 3078 B13R1.674 Cc1ccccc1C(C)OCCF 7a_100000742021_100011217306 [0,1,1,0,0,0|2,0,0]=4 3079 B13R1.674 Cc1ccccc1C(C)OCCO 34a_100000742021_100000211926 [0,1,1,0,0,0|2,0,0]=4 3080 B13R1.674 Cc1ccccc1C(C)OCCO 7a_100000742021_100000211926 [0,1,1,0,0,0|2,0,0]=4 3081 B13R1.132 CC(C)C[C@H](N)c1ccc(cc1)Br 271570a_100015190218_100000752885 [0,1,1,0,0,0|2,0,0]=4 3082 B13R1.132 CC(C)C[C@H](N)c1ccc(cc1)Cl 271570a_100015190218_100000755918 [0,1,1,0,0,0|2,0,0]=4 3083 B13R1.132 CC(C)C[C@H](N)c1ccc(cc1)F 271570a_100015190218_100000211213 [0,1,1,0,0,0|2,0,0]=4 3084 B13R1.132 CC(C)C[C@H](N)c1ccc(cc1)N 271570a_100015190218_100000185761 [0,1,1,0,0,0|2,0,0]=4 3085 B13R1.132 CC(C)C[C@H](N)c1ccc(cc1)O 271570a_100015190218_100000185759 [0,1,1,0,0,0|2,0,0]=4 3086 B13R1.132 CC(C)NC(C)c1ccc(cc1)Br 2230a_100138425928_100000755118 [0,1,1,0,0,0|2,0,0]=4 3087 B13R1.132 CC(C)NC(C)c1ccc(cc1)Br 34a_100138425928_100000755118 [0,1,1,0,0,0|2,0,0]=4 3088 B13R1.132 CC(C)NC(C)c1ccc(cc1)Cl 2230a_100138425928_100000684792 [0,1,1,0,0,0|2,0,0]=4 3089 B13R1.132 CC(C)NC(C)c1ccc(cc1)F 2230a_100138425928_100000743420 [0,1,1,0,0,0|2,0,0]=4 3090 B13R1.132 CC(C)NC(C)c1ccc(cc1)F 34a_100138425928_100000743420 [0,1,1,0,0,0|2,0,0]=4 3091 B13R1.132 CC(C)N[C@@H](C)c1ccc(cc1)F 2230a_100025705893_100000210206 [0,1,1,0,0,0|2,0,0]=4 3092 B13R1.132 CC(C)N[C@@H](C)c1ccc(cc1)F 34a_100025705893_100000210206 [0,1,1,0,0,0|2,0,0]=4 3093 B13R1.132 CC(C)N[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100000210206 [0,1,1,0,0,0|2,0,0]=4 3094 B13R1.132 CC(C)N[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000210206 [0,1,1,0,0,0|2,0,0]=4 3095 B13R1.132 CC(C)N[C@H](C)c1ccc(cc1)Br 2230a_100000720352_100000210206 [0,1,1,0,0,0|2,0,0]=4 3096 B13R1.132 CC(C)N[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100000210206 [0,1,1,0,0,0|2,0,0]=4 3097 B13R1.132 CC(C)N[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100000210206 [0,1,1,0,0,0|2,0,0]=4 3098 B13R1.132 CC(C)OC(C)c1ccc(cc1)Br 34a_100000212225_100000755118 [0,1,1,0,0,0|1,0,0]=3 3099 B13R1.132 CC(C)OC(C)c1ccc(cc1)Br 34a_100000745893_100000210206 [0,1,1,0,0,0|1,0,0]=3 3100 B13R1.132 CC(C)OC(C)c1ccc(cc1)Br 7a_100000745893_100000210206 [0,1,1,0,0,0|1,0,0]=3 3101 B13R1.132 CC(C)OC(C)c1ccc(cc1)F 34a_100000181323_100000210206 [0,1,1,0,0,0|1,0,0]=3 3102 B13R1.132 CC(C)OC(C)c1ccc(cc1)F 34a_100000212225_100000743420 [0,1,1,0,0,0|1,0,0]=3 3103 B13R1.132 CC(C)OC(C)c1ccc(cc1)F 7a_100000181323_100000210206 [0,1,1,0,0,0|1,0,0]=3 3104 B13R1.132 CC(C)OC(C)c1ccc(cc1)N 34a_100011216399_100000210206 [0,1,1,0,0,0|1,0,0]=3 3105 B13R1.132 CC(C)OC(C)c1ccc(cn1)Br 34a_100012353650_100000210206 [0,1,1,0,0,0|2,0,0]=4 3106 B13R1.132 CC(C)OC(C)c1ccc(cn1)Br 7a_100012353650_100000210206 [0,1,1,0,0,0|2,0,0]=4 3107 B13R1.132 CC(C)OC(C)c1ccc(nc1)Br 34a_200010274204_100000210206 [0,1,1,0,0,0|2,0,0]=4 3108 B13R1.132 CC(C)OC(C)c1ccc(nc1)Br 7a_200010274204_100000210206 [0,1,1,0,0,0|2,0,0]=4 3109 B13R1.132 CC(C)OC(C)c1ccc(nc1)Cl 34a_200012017543_100000210206 [0,1,1,0,0,0|2,0,0]=4 3110 B13R1.132 CC(C)OC(C)c1ccc(nc1)Cl 7a_200012017543_100000210206 [0,1,1,0,0,0|2,0,0]=4 3111 B13R1.132 CC(C)O[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100000210206 [0,1,1,0,0,0|1,0,0]=3 3112 B13R1.132 CC(C)O[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100000210206 [0,1,1,0,0,0|1,0,0]=3 3113 B13R1.132 CC(C)SC(C)c1ccc(cc1)Br 62a_100000210206_100000755118 [0,1,1,0,0,0|1,1,0]=4 3114 B13R1.132 CC(C)SC(C)c1ccc(cc1)Br 62a_100000755118_100000210206 [0,1,1,0,0,0|1,1,0]=4 3115 B13R1.132 CC(C)SC(C)c1ccc(cc1)Cl 62a_100000210206_100000684792 [0,1,1,0,0,0|1,1,0]=4 3116 B13R1.132 CC(C)SC(C)c1ccc(cc1)Cl 62a_100000684792_100000210206 [0,1,1,0,0,0|1,1,0]=4 3117 B13R1.132 CC(C)SC(C)c1ccc(cc1)F 62a_100000210206_100000743420 [0,1,1,0,0,0|1,1,0]=4 3118 B13R1.132 CC(C)SC(C)c1ccc(cc1)F 62a_100000743420_100000210206 [0,1,1,0,0,0|1,1,0]=4 3119 B13R1.132 CN(C)CC(O)c1ccc(cc1)Cl 2230a_100102631434_200011996143 [0,1,1,0,0,0|2,0,0]=4 3120 B13R1.132 CN(C)CC(O)c1ccc(cc1)O 2230a_100016988945_200000210301 [0,1,1,0,0,0|2,0,0]=4 3121 B13R1.132 CN(C)CC(O)c1ccc(cc1)O 269982a_100016988945_200000210301 [0,1,1,0,0,0|2,0,0]=4 3122 B13R1.132 CN(C)C[C@H](O)c1ccc(cc1)F 2230a_100102631434_100000720402 [0,1,1,0,0,0|2,0,0]=4 3123 B13R1.132 CN([13CH3])CC(O)c1ccc(cc1)O 2230a_100016988945_200025704644 [0,1,1,0,0,0|2,0,0]=4 3124 B13R1.132 CN([13CH3])CC(O)c1ccc(cc1)O 269982a_100016988945_200025704644 [0,1,1,0,0,0|2,0,0]=4 3125 B13R1.132 Cc1ccc(cc1)C(C)NC(C)C 2230a_100138425928_100011261388 [0,1,1,0,0,0|2,0,0]=4 3126 B13R1.132 Cc1ccc(cc1)C(C)NC(C)C 34a_100138425928_100011261388 [0,1,1,0,0,0|2,0,0]=4 3127 B13R1.132 Cc1ccc(cc1)C(C)OC(C)C 34a_100000212225_100011261388 [0,1,1,0,0,0|1,0,0]=3 3128 B13R1.132 Cc1ccc(cc1)C(C)SC(C)C 62a_100000210206_100011261388 [0,1,1,0,0,0|1,1,0]=4 3129 B13R1.132 Cc1ccc(cc1)C(C)SC(C)C 62a_100011261388_100000210206 [0,1,1,0,0,0|1,1,0]=4 3130 B13R1.132 Cc1ccc(cc1)[C@@H](C)NC(C)C 2230a_100016988085_100000210206 [0,1,1,0,0,0|2,0,0]=4 3131 B13R1.132 Cc1ccc(cc1)[C@@H](C)NC(C)C 34a_100016988085_100000210206 [0,1,1,0,0,0|2,0,0]=4 3132 B13R1.132 Cc1ccc(cc1)[C@@H](C)OC(C)C 34a_100000690690_100000210206 [0,1,1,0,0,0|1,0,0]=3 3133 B13R1.132 Cc1ccc(cc1)[C@@H](C)OC(C)C 7a_100000690690_100000210206 [0,1,1,0,0,0|1,0,0]=3 3134 B13R1.132 Cc1ccc(cc1)[C@@H](N)CC(C)C 271570a_100015190218_100000186775 [0,1,1,0,0,0|2,0,0]=4 3135 B13R1.132 Cc1ccc(cn1)C(C)OC(C)C 34a_200011815720_100000210206 [0,1,1,0,0,0|2,0,0]=4 3136 B13R1.132 Cc1ccc(cn1)C(C)OC(C)C 7a_200011815720_100000210206 [0,1,1,0,0,0|2,0,0]=4 3137 B13R1.132 [2H]C(OC(C)C)c1ccc(cc1)F 34a_217856618577_100000210206 [0,1,1,0,0,0|1,0,0]=3 3138 B13R1.132 [2H]C(OC(C)C)c1ccc(cc1)F 7a_217856618577_100000210206 [0,1,1,0,0,0|1,0,0]=3 3139 B13R1.147 CC(C)C[C@H](N)c1cccc(c1)Br 271570a_100015190218_100000691529 [0,1,1,0,0,0|2,0,0]=4 3140 B13R1.147 CC(C)C[C@H](N)c1cccc(c1)Cl 271570a_100015190218_100000699651 [0,1,1,0,0,0|2,0,0]=4 3141 B13R1.147 CC(C)C[C@H](N)c1cccc(c1)F 271570a_100015190218_100000685547 [0,1,1,0,0,0|2,0,0]=4 3142 B13R1.147 CC(C)C[C@H](N)c1cccc(c1)N 271570a_100015190218_100000210019 [0,1,1,0,0,0|2,0,0]=4 3143 B13R1.147 CC(C)C[C@H](N)c1cccc(c1)O 271570a_100015190218_100000211634 [0,1,1,0,0,0|2,0,0]=4 3144 B13R1.147 CC(C)C[C@H](N)c1cccc(c1)[S] 271570a_100015190218_114929384022 [0,1,1,0,0,0|2,0,0]=4 3145 B13R1.147 CC(C)NC(C)c1cccc(c1)Br 2230a_100020642005_100000210206 [0,1,1,0,0,0|2,0,0]=4 3146 B13R1.147 CC(C)NC(C)c1cccc(c1)Cl 2230a_100102723534_100000210206 [0,1,1,0,0,0|2,0,0]=4 3147 B13R1.147 CC(C)NC(C)c1cccc(c1)Cl 34a_100102723534_100000210206 [0,1,1,0,0,0|2,0,0]=4 3148 B13R1.147 CC(C)NC(C)c1cccc(c1)O 2230a_100000740644_100000210206 [0,1,1,0,0,0|2,0,0]=4 3149 B13R1.147 CC(C)N[C@H](C)c1cccc(c1)F 2230a_100015193778_100000210206 [0,1,1,0,0,0|2,0,0]=4 3150 B13R1.147 CC(C)N[C@H](C)c1cccc(c1)F 34a_100015193778_100000210206 [0,1,1,0,0,0|2,0,0]=4 3151 B13R1.147 CC(C)OC(C)c1cc(ccn1)Cl 7a_100000144657_100000210206 [0,1,1,0,0,0|2,0,0]=4 3152 B13R1.147 CC(C)OC(C)c1cccc(c1)Br 34a_100000246457_100000210206 [0,1,1,0,0,0|1,0,0]=3 3153 B13R1.147 CC(C)OC(C)c1cccc(c1)Br 7a_100000246457_100000210206 [0,1,1,0,0,0|1,0,0]=3 3154 B13R1.147 CC(C)OC(C)c1cccc(c1)F 34a_100000744526_100000210206 [0,1,1,0,0,0|1,0,0]=3 3155 B13R1.147 CC(C)OC(C)c1cccc(c1)F 7a_100000744526_100000210206 [0,1,1,0,0,0|1,0,0]=3 3156 B13R1.147 CC(C)OC(C)c1cccc(c1)I 34a_100013085317_100000210206 [0,1,1,0,0,0|1,0,0]=3 3157 B13R1.147 CC(C)OC(C)c1cccc(c1)I 7a_100013085317_100000210206 [0,1,1,0,0,0|1,0,0]=3 3158 B13R1.147 CC(C)OC(C)c1cccc(c1)N 34a_100011217120_100000210206 [0,1,1,0,0,0|1,0,0]=3 3159 B13R1.147 CC(C)OC(C)c1cccc(c1)N 7a_100011217120_100000210206 [0,1,1,0,0,0|1,0,0]=3 3160 B13R1.147 CC(C)OC(C)c1cccc(n1)Br 7a_100009820884_100000210206 [0,1,1,0,0,0|2,0,0]=4 3161 B13R1.147 CC(C)OC(C)c1cncc(c1)Br 34a_100012351597_100000210206 [0,1,1,0,0,0|2,0,0]=4 3162 B13R1.147 CC(C)OC(C)c1cncc(c1)Br 7a_100012351597_100000210206 [0,1,1,0,0,0|2,0,0]=4 3163 B13R1.147 CC(C)O[C@H](C)c1cccc(c1)Cl 34a_100000747380_100000210206 [0,1,1,0,0,0|1,0,0]=3 3164 B13R1.147 CC(C)O[C@H](C)c1cccc(c1)Cl 7a_100000747380_100000210206 [0,1,1,0,0,0|1,0,0]=3 3165 B13R1.147 CN(C)CC(O)c1cccc(c1)Br 2230a_200000733937_200000210301 [0,1,1,0,0,0|2,0,0]=4 3166 B13R1.147 CN(C)CC(O)c1cccc(c1)Br 269982a_200000733937_200000210301 [0,1,1,0,0,0|2,0,0]=4 3167 B13R1.147 CN(C)C[C@H](O)c1cccc(c1)O 2230a_100009815823_200000210301 [0,1,1,0,0,0|2,0,0]=4 3168 B13R1.147 CN(C)C[C@H](O)c1cccc(c1)O 269982a_100009815823_200000210301 [0,1,1,0,0,0|2,0,0]=4 3169 B13R1.147 CN([13CH3])CC(O)c1cccc(c1)Br 2230a_200000733937_200025704644 [0,1,1,0,0,0|2,0,0]=4 3170 B13R1.147 CN([13CH3])CC(O)c1cccc(c1)Br 269982a_200000733937_200025704644 [0,1,1,0,0,0|2,0,0]=4 3171 B13R1.147 CN([13CH3])C[C@H](O)c1cccc(c1)O 2230a_100009815823_200025704644 [0,1,1,0,0,0|2,0,0]=4 3172 B13R1.147 CN([13CH3])C[C@H](O)c1cccc(c1)O 269982a_100009815823_200025704644 [0,1,1,0,0,0|2,0,0]=4 3173 B13R1.147 Cc1cccc(c1)C(C)OC(C)C 34a_100000757818_100000210206 [0,1,1,0,0,0|1,0,0]=3 3174 B13R1.147 Cc1cccc(c1)C(C)OC(C)C 7a_100000757818_100000210206 [0,1,1,0,0,0|1,0,0]=3 3175 B13R1.147 Cc1cccc(c1)[C@@H](C)NC(C)C 2230a_100000698126_100000210206 [0,1,1,0,0,0|2,0,0]=4 3176 B13R1.147 Cc1cccc(c1)[C@@H](C)NC(C)C 34a_100000698126_100000210206 [0,1,1,0,0,0|2,0,0]=4 3177 B13R1.147 Cc1cccc(c1)[C@@H](N)CC(C)C 271570a_100015190218_100011215228 [0,1,1,0,0,0|2,0,0]=4 3178 B13R1.147 Cc1cccc(n1)C(C)OC(C)C 34a_200011877368_100000210206 [0,1,1,0,0,0|2,0,0]=4 3179 B13R1.147 Cc1cccc(n1)C(C)OC(C)C 7a_200011877368_100000210206 [0,1,1,0,0,0|2,0,0]=4 3180 B13R1.152 CC(C)C(=O)C(C)c1ccccc1 1458a_100000210198_100000230085 [0,1,1,0,0,0|2,0,0]=4 3181 B13R1.152 CC(C)C(=O)C(F)c1ccccc1 1458a_100000698975_100000210206 [0,1,1,0,0,0|2,0,0]=4 3182 B13R1.152 CC(C)C(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000210206 [0,1,1,0,0,0|2,0,0]=4 3183 B13R1.152 CC(C)C(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000210206 [0,1,1,0,0,0|1,0,0]=3 3184 B13R1.152 CC(C)N(C)C(C)c1ccccc1 2230a_100000195388_100000210206 [0,1,1,0,0,0|2,0,0]=4 3185 B13R1.152 CC(C)N(C)C(C)c1ccccc1 269982a_100000195388_100000210206 [0,1,1,0,0,0|2,0,0]=4 3186 B13R1.152 CC(C)N(C)C(C)c1ccccc1 269982a_100000218734_200000210301 [0,1,1,0,0,0|2,0,0]=4 3187 B13R1.152 CC(C)N(C)C(C)c1ccccc1 269982a_200000211004_100000230085 [0,1,1,0,0,0|2,0,0]=4 3188 B13R1.152 CC(C)N([13CH3])C(C)c1ccccc1 269982a_100000218734_200025704644 [0,1,1,0,0,0|2,0,0]=4 3189 B13R1.152 CN(C)C(=O)[C@H](O)c1ccccc1 240690a_100102631434_100000684486 [0,1,1,0,0,0|2,0,0]=4 3190 B13R1.201 CC(C)C[C@H](N)c1ccccc1Br 271570a_100015190218_100000695589 [0,1,1,0,0,0|2,0,0]=4 3191 B13R1.201 CC(C)C[C@H](N)c1ccccc1Cl 271570a_100015190218_100000764095 [0,1,1,0,0,0|2,0,0]=4 3192 B13R1.201 CC(C)C[C@H](N)c1ccccc1F 271570a_100015190218_100011215700 [0,1,1,0,0,0|2,0,0]=4 3193 B13R1.201 CC(C)C[C@H](N)c1ccccc1N 271570a_100015190218_100000210017 [0,1,1,0,0,0|2,0,0]=4 3194 B13R1.201 CC(C)C[C@H](N)c1ccccc1O 271570a_100015190218_100000739446 [0,1,1,0,0,0|2,0,0]=4 3195 B13R1.201 CC(C)NC(C)c1ccccc1Br 2230a_100000181357_100000210206 [0,1,1,0,0,0|2,0,0]=4 3196 B13R1.201 CC(C)NC(C)c1ccccc1Cl 2230a_100000174978_100000210206 [0,1,1,0,0,0|2,0,0]=4 3197 B13R1.201 CC(C)NC(C)c1ccccc1Cl 2230a_100138425928_100000181259 [0,1,1,0,0,0|2,0,0]=4 3198 B13R1.201 CC(C)NC(C)c1ccccc1Cl 34a_100000174978_100000210206 [0,1,1,0,0,0|2,0,0]=4 3199 B13R1.201 CC(C)NC(C)c1ccccc1F 2230a_100000181408_100000210206 [0,1,1,0,0,0|2,0,0]=4 3200 B13R1.201 CC(C)NC(C)c1ccccc1F 2230a_100138425928_200000741388 [0,1,1,0,0,0|2,0,0]=4 3201 B13R1.201 CC(C)NC(C)c1ccccc1F 34a_100000181408_100000210206 [0,1,1,0,0,0|2,0,0]=4 3202 B13R1.201 CC(C)NC(C)c1ccccc1F 34a_100138425928_200000741388 [0,1,1,0,0,0|2,0,0]=4 3203 B13R1.201 CC(C)N[C@H](C)c1ccccc1O 2230a_100025703389_100000210206 [0,1,1,0,0,0|2,0,0]=4 3204 B13R1.201 CC(C)OC(=O)c1ccccc1O 271570a_203496583355_100000169877 [0,1,1,0,0,0|0,0,2]=4 3205 B13R1.201 CC(C)OC(C)c1ccccc1Br 34a_100000702211_100000210206 [0,1,1,0,0,0|1,0,0]=3 3206 B13R1.201 CC(C)OC(C)c1ccccc1Br 7a_100000702211_100000210206 [0,1,1,0,0,0|1,0,0]=3 3207 B13R1.201 CC(C)OC(C)c1ccccc1Cl 34a_100000740796_100000210206 [0,1,1,0,0,0|1,0,0]=3 3208 B13R1.201 CC(C)OC(C)c1ccccc1Cl 7a_100000740796_100000210206 [0,1,1,0,0,0|1,0,0]=3 3209 B13R1.201 CC(C)OC(C)c1ccccc1F 34a_100000212225_200000741388 [0,1,1,0,0,0|1,0,0]=3 3210 B13R1.201 CC(C)OC(C)c1ccccc1F 34a_100000697922_100000210206 [0,1,1,0,0,0|1,0,0]=3 3211 B13R1.201 CC(C)OC(C)c1ccccc1F 7a_100000697922_100000210206 [0,1,1,0,0,0|1,0,0]=3 3212 B13R1.201 CC(C)OC(C)c1ccccc1N 7a_100011405641_100000210206 [0,1,1,0,0,0|1,0,0]=3 3213 B13R1.201 CC(C)OC(C)c1cccnc1Cl 34a_100009865335_100000210206 [0,1,1,0,0,0|2,0,0]=4 3214 B13R1.201 CC(C)OC(C)c1cccnc1Cl 7a_100009865335_100000210206 [0,1,1,0,0,0|2,0,0]=4 3215 B13R1.201 CC(C)OC(C)c1ccncc1F 34a_100012180158_100000210206 [0,1,1,0,0,0|2,0,0]=4 3216 B13R1.201 CC(C)O[C@@H](C)c1ncccc1Br 7a_100013325542_100000210206 [0,1,1,0,0,0|2,0,0]=4 3217 B13R1.201 CC(C)SC(C)c1ccccc1Cl 62a_100000181259_100000210206 [0,1,1,0,0,0|1,1,0]=4 3218 B13R1.201 CC(C)SC(C)c1ccccc1Cl 62a_100000210206_100000181259 [0,1,1,0,0,0|1,1,0]=4 3219 B13R1.201 CC(C)SC(C)c1ccccc1F 62a_100000210206_200000741388 [0,1,1,0,0,0|1,1,0]=4 3220 B13R1.201 CC(C)SC(C)c1ccccc1F 62a_200000741388_100000210206 [0,1,1,0,0,0|1,1,0]=4 3221 B13R1.201 Cc1ccccc1C(C)NC(C)C 2230a_100000181355_100000210206 [0,1,1,0,0,0|2,0,0]=4 3222 B13R1.201 Cc1ccccc1C(C)NC(C)C 34a_100000181355_100000210206 [0,1,1,0,0,0|2,0,0]=4 3223 B13R1.201 Cc1ccccc1C(C)OC(C)C 34a_100000742021_100000210206 [0,1,1,0,0,0|1,0,0]=3 3224 B13R1.201 Cc1ccccc1C(C)OC(C)C 7a_100000742021_100000210206 [0,1,1,0,0,0|1,0,0]=3 3225 B13R1.201 Cc1ccccc1[C@@H](N)CC(C)C 271570a_100015190218_100000210755 [0,1,1,0,0,0|2,0,0]=4 3226 B13R1.347 CC(C)NC(C)(C)c1ccccc1 2230a_100011218174_100000210206 [0,1,1,0,0,0|2,0,0]=4 3227 B13R1.347 CC(C)NC(C)(C)c1ccccc1 2230a_100138425928_100000034625 [0,1,1,0,0,0|2,0,0]=4 3228 B13R1.347 CC(C)OC(C)(C)c1ccccc1 7a_100000694644_100000210206 [0,1,1,0,0,0|1,0,0]=3 3229 B13R1.347 CC(C)OC(C)(C)c1ccccn1 7a_100000041474_100000210206 [0,1,1,0,0,0|2,0,0]=4 3230 B13R1.347 CC(C)SC(C)(C)c1ccccc1 62a_100000034625_100000210206 [0,1,1,0,0,0|1,1,0]=4 3231 B13R1.347 CC(C)SC(C)(C)c1ccccc1 62a_100000210206_100000034625 [0,1,1,0,0,0|1,1,0]=4 3232 B13R1.347 CC(C)SC(F)(F)c1ccccc1 62a_100000210206_100000036403 [0,1,1,0,0,0|1,1,0]=4 3233 B13R1.347 CN(C)CC(C)(O)c1ccccc1 2230a_100011660921_200000210301 [0,1,1,0,0,0|2,0,0]=4 3234 B13R1.347 CN(C)CC(C)(O)c1ccccc1 269982a_100011660921_200000210301 [0,1,1,0,0,0|2,0,0]=4 3235 B13R1.347 CN([13CH3])CC(C)(O)c1ccccc1 2230a_100011660921_200025704644 [0,1,1,0,0,0|2,0,0]=4 3236 B13R1.347 CN([13CH3])CC(C)(O)c1ccccc1 269982a_100011660921_200025704644 [0,1,1,0,0,0|2,0,0]=4 3237 B13R1.352 CC(NC(C)(C)C)c1ccccc1 2230a_100000715429_100000230085 [0,1,1,0,0,0|2,0,0]=4 3238 B13R1.352 CC(OC(C)(C)C)c1ccccc1 34a_100015890283_100000211855 [0,1,1,0,0,0|1,0,0]=3 3239 B13R1.352 CC(OC(C)(C)C)c1ccccc1 7a_100015890283_100000230085 [0,1,1,0,0,0|1,0,0]=3 3240 B13R1.352 CC(SC(C)(C)C)c1ccccc1 62a_100000211941_100000230085 [0,1,1,0,0,0|1,1,0]=4 3241 B13R1.352 CC(SC(C)(C)C)c1ccccc1 62a_100000230085_100000211941 [0,1,1,0,0,0|1,1,0]=4 3242 B13R1.352 C[C@@H](OC(C)(C)C)c1ccccc1 34a_100000761318_100000210625 [0,1,1,0,0,0|1,0,0]=3 3243 B13R1.149 C=C(C)COCc1cccc(c1)Br 34a_100000210245_100000698116 [0,1,1,0,0,0|1,0,1]=4 3244 B13R1.149 C=C(C)COCc1cccc(c1)Br 34a_100000687537_100000748629 [0,1,1,0,0,0|1,0,1]=4 3245 B13R1.149 C=C(C)COCc1cccc(c1)Br 7a_100000687537_100000748629 [0,1,1,0,0,0|1,0,1]=4 3246 B13R1.149 C=C(C)COCc1cccc(c1)C 34a_100000210245_100000211840 [0,1,1,0,0,0|1,0,1]=4 3247 B13R1.149 C=C(C)COCc1cccc(c1)C 34a_100011217746_100000748629 [0,1,1,0,0,0|1,0,1]=4 3248 B13R1.149 C=C(C)COCc1cccc(c1)C 7a_100011217746_100000748629 [0,1,1,0,0,0|1,0,1]=4 3249 B13R1.149 C=C(C)COCc1cccc(c1)Cl 34a_100000210245_100000187163 [0,1,1,0,0,0|1,0,1]=4 3250 B13R1.149 C=C(C)COCc1cccc(c1)Cl 34a_100000241301_100000748629 [0,1,1,0,0,0|1,0,1]=4 3251 B13R1.149 C=C(C)COCc1cccc(c1)Cl 7a_100000241301_100000748629 [0,1,1,0,0,0|1,0,1]=4 3252 B13R1.149 C=C(C)COCc1cccc(c1)F 34a_100000210245_100000187166 [0,1,1,0,0,0|1,0,1]=4 3253 B13R1.149 C=C(C)COCc1cccc(c1)F 34a_100000210976_100000748629 [0,1,1,0,0,0|1,0,1]=4 3254 B13R1.149 C=C(C)COCc1cccc(c1)F 7a_100000210976_100000748629 [0,1,1,0,0,0|1,0,1]=4 3255 B13R1.149 C=C(C)COCc1cccc(c1)I 34a_100000210245_100011218688 [0,1,1,0,0,0|1,0,1]=4 3256 B13R1.149 C=C(C)COCc1cccc(c1)I 34a_100011215336_100000748629 [0,1,1,0,0,0|1,0,1]=4 3257 B13R1.149 C=C(C)COCc1cccc(c1)I 7a_100011215336_100000748629 [0,1,1,0,0,0|1,0,1]=4 3258 B13R1.149 C=C(C)COCc1cccc(c1)N 34a_100000211919_100000748629 [0,1,1,0,0,0|1,0,1]=4 3259 B13R1.149 C=C(C)COCc1cccc(c1)O 34a_100000210245_100011660834 [0,1,1,0,0,0|1,0,1]=4 3260 B13R1.149 CC(=O)COCc1cccc(c1)Br 34a_100000211253_100000698116 [0,1,1,0,0,0|0,0,2]=4 3261 B13R1.149 CC(=O)COCc1cccc(c1)C 34a_100000211253_100000211840 [0,1,1,0,0,0|0,0,2]=4 3262 B13R1.149 CC(=O)COCc1cccc(c1)Cl 34a_100000211253_100000187163 [0,1,1,0,0,0|0,0,2]=4 3263 B13R1.149 CC(=O)COCc1cccc(c1)F 34a_100000211253_100000187166 [0,1,1,0,0,0|0,0,2]=4 3264 B13R1.149 CC(=O)COCc1cccc(c1)I 34a_100000211253_100011218688 [0,1,1,0,0,0|0,0,2]=4 3265 B13R1.149 CC(=O)COCc1cccc(c1)O 34a_100000211253_100011660834 [0,1,1,0,0,0|0,0,2]=4 3266 B13R1.149 CC(Br)COCc1cc(ccn1)Br 34a_100012180447_100010173614 [0,1,1,0,0,0|2,0,0]=4 3267 B13R1.149 CC(Br)COCc1cc(ccn1)Cl 34a_100012180447_100016988179 [0,1,1,0,0,0|2,0,0]=4 3268 B13R1.149 CC(Br)COCc1cccc(c1)Br 34a_100012180447_100000698116 [0,1,1,0,0,0|1,0,0]=3 3269 B13R1.149 CC(Br)COCc1cccc(c1)Cl 34a_100012180447_100000187163 [0,1,1,0,0,0|1,0,0]=3 3270 B13R1.149 CC(Br)COCc1cccc(c1)F 34a_100012180447_100000187166 [0,1,1,0,0,0|1,0,0]=3 3271 B13R1.149 CC(Br)COCc1cccc(c1)I 34a_100012180447_100011218688 [0,1,1,0,0,0|1,0,0]=3 3272 B13R1.149 CC(Br)COCc1cccc(c1)O 34a_100012180447_100011660834 [0,1,1,0,0,0|1,0,0]=3 3273 B13R1.149 CC(Br)COCc1cccc(n1)Br 34a_100012180447_100009889011 [0,1,1,0,0,0|2,0,0]=4 3274 B13R1.149 CC(Br)COCc1cccc(n1)Cl 34a_100012180447_100000086093 [0,1,1,0,0,0|2,0,0]=4 3275 B13R1.149 CC(Br)COCc1cccc(n1)F 34a_100012180447_100009819644 [0,1,1,0,0,0|2,0,0]=4 3276 B13R1.149 CC(Br)COCc1ccnc(c1)Br 34a_100012180447_100010243470 [0,1,1,0,0,0|2,0,0]=4 3277 B13R1.149 CC(Br)COCc1ccnc(c1)Cl 34a_100012180447_100000764220 [0,1,1,0,0,0|2,0,0]=4 3278 B13R1.149 CC(Br)COCc1cncc(c1)Br 34a_100012180447_100000738771 [0,1,1,0,0,0|2,0,0]=4 3279 B13R1.149 CC(Br)COCc1cncc(c1)Cl 34a_100012180447_100016992070 [0,1,1,0,0,0|2,0,0]=4 3280 B13R1.149 CC(Br)COCc1cncc(c1)F 34a_100012180447_100000725299 [0,1,1,0,0,0|2,0,0]=4 3281 B13R1.149 CC(C)CNCc1cccc(c1)Br 207a_100000210953_100000210085 [0,1,1,0,0,0|2,0,0]=4 3282 B13R1.149 CC(C)CNCc1cccc(c1)Br 2230a_100000174977_100000210760 [0,1,1,0,0,0|2,0,0]=4 3283 B13R1.149 CC(C)CNCc1cccc(c1)Br 2230a_100000210953_100000698116 [0,1,1,0,0,0|2,0,0]=4 3284 B13R1.149 CC(C)CNCc1cccc(c1)Br 26a_100000210953_100000210342 [0,1,1,0,0,0|2,0,0]=4 3285 B13R1.149 CC(C)CNCc1cccc(c1)Br 270004a_100000174977_100000210432 [0,1,1,0,0,0|2,0,0]=4 3286 B13R1.149 CC(C)CNCc1cccc(c1)Br 270004a_100000210953_100000210085 [0,1,1,0,0,0|2,0,0]=4 3287 B13R1.149 CC(C)CNCc1cccc(c1)Br 34a_100000174977_100000210624 [0,1,1,0,0,0|2,0,0]=4 3288 B13R1.149 CC(C)CNCc1cccc(c1)Br 34a_100000210953_100000698116 [0,1,1,0,0,0|2,0,0]=4 3289 B13R1.149 CC(C)CNCc1cccc(c1)Cl 207a_100000210953_100000210801 [0,1,1,0,0,0|2,0,0]=4 3290 B13R1.149 CC(C)CNCc1cccc(c1)Cl 2230a_100000174878_100000210760 [0,1,1,0,0,0|2,0,0]=4 3291 B13R1.149 CC(C)CNCc1cccc(c1)Cl 2230a_100000210953_100000181238 [0,1,1,0,0,0|2,0,0]=4 3292 B13R1.149 CC(C)CNCc1cccc(c1)Cl 270004a_100000174878_100000210432 [0,1,1,0,0,0|2,0,0]=4 3293 B13R1.149 CC(C)CNCc1cccc(c1)Cl 270004a_100000210953_100000210801 [0,1,1,0,0,0|2,0,0]=4 3294 B13R1.149 CC(C)CNCc1cccc(c1)Cl 34a_100000174878_100000210624 [0,1,1,0,0,0|2,0,0]=4 3295 B13R1.149 CC(C)CNCc1cccc(c1)Cl 34a_100000210953_100000187163 [0,1,1,0,0,0|2,0,0]=4 3296 B13R1.149 CC(C)CNCc1cccc(c1)F 207a_100000210953_100000210812 [0,1,1,0,0,0|2,0,0]=4 3297 B13R1.149 CC(C)CNCc1cccc(c1)F 2230a_100000174948_100000210760 [0,1,1,0,0,0|2,0,0]=4 3298 B13R1.149 CC(C)CNCc1cccc(c1)F 2230a_100000210953_100000230114 [0,1,1,0,0,0|2,0,0]=4 3299 B13R1.149 CC(C)CNCc1cccc(c1)F 270004a_100000174948_100000210432 [0,1,1,0,0,0|2,0,0]=4 3300 B13R1.149 CC(C)CNCc1cccc(c1)F 270004a_100000210953_100000210812 [0,1,1,0,0,0|2,0,0]=4 3301 B13R1.149 CC(C)CNCc1cccc(c1)F 34a_100000174948_100000210624 [0,1,1,0,0,0|2,0,0]=4 3302 B13R1.149 CC(C)CNCc1cccc(c1)F 34a_100000210953_100000187166 [0,1,1,0,0,0|2,0,0]=4 3303 B13R1.149 CC(C)CNCc1cccc(c1)I 207a_100000210953_100000014684 [0,1,1,0,0,0|2,0,0]=4 3304 B13R1.149 CC(C)CNCc1cccc(c1)I 2230a_100000106179_100000210760 [0,1,1,0,0,0|2,0,0]=4 3305 B13R1.149 CC(C)CNCc1cccc(c1)I 2230a_100000210953_100011218688 [0,1,1,0,0,0|2,0,0]=4 3306 B13R1.149 CC(C)CNCc1cccc(c1)I 270004a_100000106179_100000210432 [0,1,1,0,0,0|2,0,0]=4 3307 B13R1.149 CC(C)CNCc1cccc(c1)I 270004a_100000210953_100000014684 [0,1,1,0,0,0|2,0,0]=4 3308 B13R1.149 CC(C)CNCc1cccc(c1)I 34a_100000106179_100000210624 [0,1,1,0,0,0|2,0,0]=4 3309 B13R1.149 CC(C)CNCc1cccc(c1)I 34a_100000210953_100011218688 [0,1,1,0,0,0|2,0,0]=4 3310 B13R1.149 CC(C)CNCc1cccc(c1)O 207a_100000210953_100000188321 [0,1,1,0,0,0|2,0,0]=4 3311 B13R1.149 CC(C)CNCc1cccc(c1)O 2230a_100000210953_100011660834 [0,1,1,0,0,0|2,0,0]=4 3312 B13R1.149 CC(C)CNCc1cccc(c1)O 2230a_100000743036_100000210760 [0,1,1,0,0,0|2,0,0]=4 3313 B13R1.149 CC(C)CNCc1cccc(c1)O 270004a_100000210953_100000188321 [0,1,1,0,0,0|2,0,0]=4 3314 B13R1.149 CC(C)CNCc1cccc(c1)O 270004a_100000743036_100000210432 [0,1,1,0,0,0|2,0,0]=4 3315 B13R1.149 CC(C)CNCc1cccc(c1)O 271570a_203496583355_100015187148 [0,1,1,0,0,0|2,0,0]=4 3316 B13R1.149 CC(C)CNCc1cccc(c1)O 34a_100000210953_100011660834 [0,1,1,0,0,0|2,0,0]=4 3317 B13R1.149 CC(C)CNCc1cccc(c1)O 34a_100000743036_100000210624 [0,1,1,0,0,0|2,0,0]=4 3318 B13R1.149 CC(C)COCc1cc(ccn1)Br 34a_100000210257_100010173614 [0,1,1,0,0,0|2,0,0]=4 3319 B13R1.149 CC(C)COCc1cc(ccn1)Cl 34a_100000210257_100016988179 [0,1,1,0,0,0|2,0,0]=4 3320 B13R1.149 CC(C)COCc1cc(ccn1)Cl 34a_100000748867_100000210624 [0,1,1,0,0,0|2,0,0]=4 3321 B13R1.149 CC(C)COCc1cc(ccn1)N 34a_100000692640_100000210624 [0,1,1,0,0,0|2,0,0]=4 3322 B13R1.149 CC(C)COCc1ccc[n+](c1)[O-] 34a_100000037817_100000210624 [0,1,1,0,0,0|2,0,0]=4 3323 B13R1.149 CC(C)COCc1ccc[n+](c1)[O-] 7a_100000037817_100000210760 [0,1,1,0,0,0|2,0,0]=4 3324 B13R1.149 CC(C)COCc1cccc(c1)Br 34a_100000210257_100000698116 [0,1,1,0,0,0|1,0,0]=3 3325 B13R1.149 CC(C)COCc1cccc(c1)Br 34a_100000687537_100000210624 [0,1,1,0,0,0|1,0,0]=3 3326 B13R1.149 CC(C)COCc1cccc(c1)Br 7a_100000687537_100000210760 [0,1,1,0,0,0|1,0,0]=3 3327 B13R1.149 CC(C)COCc1cccc(c1)Cl 34a_100000210257_100000187163 [0,1,1,0,0,0|1,0,0]=3 3328 B13R1.149 CC(C)COCc1cccc(c1)Cl 34a_100000241301_100000210624 [0,1,1,0,0,0|1,0,0]=3 3329 B13R1.149 CC(C)COCc1cccc(c1)Cl 7a_100000241301_100000210760 [0,1,1,0,0,0|1,0,0]=3 3330 B13R1.149 CC(C)COCc1cccc(c1)F 34a_100000210257_100000187166 [0,1,1,0,0,0|1,0,0]=3 3331 B13R1.149 CC(C)COCc1cccc(c1)F 34a_100000210976_100000210624 [0,1,1,0,0,0|1,0,0]=3 3332 B13R1.149 CC(C)COCc1cccc(c1)F 7a_100000210976_100000210760 [0,1,1,0,0,0|1,0,0]=3 3333 B13R1.149 CC(C)COCc1cccc(c1)I 34a_100000210257_100011218688 [0,1,1,0,0,0|1,0,0]=3 3334 B13R1.149 CC(C)COCc1cccc(c1)I 34a_100011215336_100000210624 [0,1,1,0,0,0|1,0,0]=3 3335 B13R1.149 CC(C)COCc1cccc(c1)I 7a_100011215336_100000210760 [0,1,1,0,0,0|1,0,0]=3 3336 B13R1.149 CC(C)COCc1cccc(c1)N 34a_100000211919_100000210624 [0,1,1,0,0,0|1,0,0]=3 3337 B13R1.149 CC(C)COCc1cccc(c1)O 34a_100000210257_100011660834 [0,1,1,0,0,0|1,0,0]=3 3338 B13R1.149 CC(C)COCc1cccc(n1)Br 34a_100000210257_100009889011 [0,1,1,0,0,0|2,0,0]=4 3339 B13R1.149 CC(C)COCc1cccc(n1)Br 34a_100000694195_100000210624 [0,1,1,0,0,0|2,0,0]=4 3340 B13R1.149 CC(C)COCc1cccc(n1)Cl 34a_100000210257_100000086093 [0,1,1,0,0,0|2,0,0]=4 3341 B13R1.149 CC(C)COCc1cccc(n1)Cl 34a_100011998359_100000210624 [0,1,1,0,0,0|2,0,0]=4 3342 B13R1.149 CC(C)COCc1cccc(n1)F 34a_100000086748_100000210624 [0,1,1,0,0,0|2,0,0]=4 3343 B13R1.149 CC(C)COCc1cccc(n1)F 34a_100000210257_100009819644 [0,1,1,0,0,0|2,0,0]=4 3344 B13R1.149 CC(C)COCc1ccnc(c1)Br 34a_100000210257_100010243470 [0,1,1,0,0,0|2,0,0]=4 3345 B13R1.149 CC(C)COCc1ccnc(c1)Br 34a_100009814636_100000210624 [0,1,1,0,0,0|2,0,0]=4 3346 B13R1.149 CC(C)COCc1ccnc(c1)Br 7a_100009814636_100000210760 [0,1,1,0,0,0|2,0,0]=4 3347 B13R1.149 CC(C)COCc1ccnc(c1)Cl 34a_100000210257_100000764220 [0,1,1,0,0,0|2,0,0]=4 3348 B13R1.149 CC(C)COCc1ccnc(c1)Cl 34a_100000748751_100000210624 [0,1,1,0,0,0|2,0,0]=4 3349 B13R1.149 CC(C)COCc1ccnc(c1)F 34a_100000082451_100000210624 [0,1,1,0,0,0|2,0,0]=4 3350 B13R1.149 CC(C)COCc1cncc(c1)Br 34a_100000210257_100000738771 [0,1,1,0,0,0|2,0,0]=4 3351 B13R1.149 CC(C)COCc1cncc(c1)Br 34a_100011259137_100000210624 [0,1,1,0,0,0|2,0,0]=4 3352 B13R1.149 CC(C)COCc1cncc(c1)Br 7a_100011259137_100000210760 [0,1,1,0,0,0|2,0,0]=4 3353 B13R1.149 CC(C)COCc1cncc(c1)Cl 34a_100000092867_100000210624 [0,1,1,0,0,0|2,0,0]=4 3354 B13R1.149 CC(C)COCc1cncc(c1)Cl 34a_100000210257_100016992070 [0,1,1,0,0,0|2,0,0]=4 3355 B13R1.149 CC(C)COCc1cncc(c1)Cl 7a_100000092867_100000210760 [0,1,1,0,0,0|2,0,0]=4 3356 B13R1.149 CC(C)COCc1cncc(c1)F 34a_100000210257_100000725299 [0,1,1,0,0,0|2,0,0]=4 3357 B13R1.149 CC(C)COCc1cncc(c1)F 34a_100011962875_100000210624 [0,1,1,0,0,0|2,0,0]=4 3358 B13R1.149 CC(C)COCc1cncc(c1)F 7a_100011962875_100000210760 [0,1,1,0,0,0|2,0,0]=4 3359 B13R1.149 CC(C)COCc1cncc(c1)N 34a_100000085308_100000210624 [0,1,1,0,0,0|2,0,0]=4 3360 B13R1.149 CC(C)CSCc1cccc(c1)Br 62a_100000210624_100000211773 [0,1,1,0,0,0|1,1,0]=4 3361 B13R1.149 CC(C)CSCc1cccc(c1)Br 62a_100000211773_100000210760 [0,1,1,0,0,0|1,1,0]=4 3362 B13R1.149 CC(C)CSCc1cccc(c1)Cl 62a_100000187163_100000210760 [0,1,1,0,0,0|1,1,0]=4 3363 B13R1.149 CC(C)CSCc1cccc(c1)Cl 62a_100000210624_100000187163 [0,1,1,0,0,0|1,1,0]=4 3364 B13R1.149 CC(C)CSCc1cccc(c1)F 62a_100000210624_100000230114 [0,1,1,0,0,0|1,1,0]=4 3365 B13R1.149 CC(C)CSCc1cccc(c1)F 62a_100000230114_100000210760 [0,1,1,0,0,0|1,1,0]=4 3366 B13R1.149 CC(C)CSCc1cccc(c1)I 62a_100000210624_100011218688 [0,1,1,0,0,0|1,1,0]=4 3367 B13R1.149 CC(C)CSCc1cccc(c1)I 62a_100011218688_100000210760 [0,1,1,0,0,0|1,1,0]=4 3368 B13R1.149 CC(C)CSCc1cccc(c1)O 62a_100000210624_100011660834 [0,1,1,0,0,0|1,1,0]=4 3369 B13R1.149 CC(C)CSCc1cccc(c1)O 62a_100011660834_100000210760 [0,1,1,0,0,0|1,1,0]=4 3370 B13R1.149 CC(F)COCc1cc(ccn1)Br 34a_100015925927_100010173614 [0,1,1,0,0,0|2,0,0]=4 3371 B13R1.149 CC(F)COCc1cc(ccn1)Cl 34a_100015925927_100016988179 [0,1,1,0,0,0|2,0,0]=4 3372 B13R1.149 CC(F)COCc1cccc(c1)Br 34a_100015925927_100000698116 [0,1,1,0,0,0|1,0,0]=3 3373 B13R1.149 CC(F)COCc1cccc(c1)Cl 34a_100015925927_100000187163 [0,1,1,0,0,0|1,0,0]=3 3374 B13R1.149 CC(F)COCc1cccc(c1)F 34a_100015925927_100000187166 [0,1,1,0,0,0|1,0,0]=3 3375 B13R1.149 CC(F)COCc1cccc(c1)I 34a_100015925927_100011218688 [0,1,1,0,0,0|1,0,0]=3 3376 B13R1.149 CC(F)COCc1cccc(c1)O 34a_100015925927_100011660834 [0,1,1,0,0,0|1,0,0]=3 3377 B13R1.149 CC(F)COCc1cccc(n1)Br 34a_100015925927_100009889011 [0,1,1,0,0,0|2,0,0]=4 3378 B13R1.149 CC(F)COCc1cccc(n1)Cl 34a_100015925927_100000086093 [0,1,1,0,0,0|2,0,0]=4 3379 B13R1.149 CC(F)COCc1cccc(n1)F 34a_100015925927_100009819644 [0,1,1,0,0,0|2,0,0]=4 3380 B13R1.149 CC(F)COCc1ccnc(c1)Br 34a_100015925927_100010243470 [0,1,1,0,0,0|2,0,0]=4 3381 B13R1.149 CC(F)COCc1ccnc(c1)Cl 34a_100015925927_100000764220 [0,1,1,0,0,0|2,0,0]=4 3382 B13R1.149 CC(F)COCc1cncc(c1)Br 34a_100015925927_100000738771 [0,1,1,0,0,0|2,0,0]=4 3383 B13R1.149 CC(F)COCc1cncc(c1)Cl 34a_100015925927_100016992070 [0,1,1,0,0,0|2,0,0]=4 3384 B13R1.149 CC(F)COCc1cncc(c1)F 34a_100015925927_100000725299 [0,1,1,0,0,0|2,0,0]=4 3385 B13R1.149 CC(O)CCNc1cccc(c1)Br 34a_100000210019_100012276601 [0,1,1,0,0,0|2,0,0]=4 3386 B13R1.149 CC(O)CCNc1cccc(c1)Cl 34a_100000185859_100012276601 [0,1,1,0,0,0|2,0,0]=4 3387 B13R1.149 CC(O)CCNc1cccc(c1)F 34a_100000210047_100012276601 [0,1,1,0,0,0|2,0,0]=4 3388 B13R1.149 CC(O)CCNc1cccc(c1)I 34a_100000211102_100012276601 [0,1,1,0,0,0|2,0,0]=4 3389 B13R1.149 CC(O)CCNc1cccc(c1)O 34a_100000210217_100012276601 [0,1,1,0,0,0|2,0,0]=4 3390 B13R1.149 CC(O)CCOc1cccc(c1)Br 34a_100000210342_100012276601 [0,1,1,0,0,0|2,0,0]=4 3391 B13R1.149 CC(O)CCOc1cccc(c1)Br 7a_100000210342_100012276601 [0,1,1,0,0,0|2,0,0]=4 3392 B13R1.149 CC(O)CCOc1cccc(c1)Cl 34a_100000210295_100012276601 [0,1,1,0,0,0|2,0,0]=4 3393 B13R1.149 CC(O)CCOc1cccc(c1)Cl 7a_100000210295_100012276601 [0,1,1,0,0,0|2,0,0]=4 3394 B13R1.149 CC(O)CCOc1cccc(c1)F 34a_100000210426_100012276601 [0,1,1,0,0,0|2,0,0]=4 3395 B13R1.149 CC(O)CCOc1cccc(c1)F 7a_100000210426_100012276601 [0,1,1,0,0,0|2,0,0]=4 3396 B13R1.149 CC(O)CCOc1cccc(c1)I 34a_100000211634_100012276601 [0,1,1,0,0,0|2,0,0]=4 3397 B13R1.149 CC(O)CCOc1cccc(c1)I 7a_100000211634_100012276601 [0,1,1,0,0,0|2,0,0]=4 3398 B13R1.149 CC(O)CCOc1cccc(c1)N 34a_100000210217_100012276601 [0,1,1,0,0,0|2,0,0]=4 3399 B13R1.149 CC(O)CCSc1cccc(c1)Br 62a_100000691529_100012276601 [0,1,1,0,0,0|2,0,0]=4 3400 B13R1.149 CC(O)CCSc1cccc(c1)Br 62a_100012276601_100000691529 [0,1,1,0,0,0|2,0,0]=4 3401 B13R1.149 CC(O)CCSc1cccc(c1)Cl 62a_100000699651_100012276601 [0,1,1,0,0,0|2,0,0]=4 3402 B13R1.149 CC(O)CCSc1cccc(c1)Cl 62a_100012276601_100000699651 [0,1,1,0,0,0|2,0,0]=4 3403 B13R1.149 CC(O)CCSc1cccc(c1)F 62a_100000685547_100012276601 [0,1,1,0,0,0|2,0,0]=4 3404 B13R1.149 CC(O)CCSc1cccc(c1)F 62a_100012276601_100000685547 [0,1,1,0,0,0|2,0,0]=4 3405 B13R1.149 CC(O)CCSc1cccc(c1)N 62a_100000210019_100012276601 [0,1,1,0,0,0|2,0,0]=4 3406 B13R1.149 CC(O)CCSc1cccc(c1)N 62a_100012276601_100000210019 [0,1,1,0,0,0|2,0,0]=4 3407 B13R1.149 CC(O)CCSc1cccc(c1)O 62a_100012276601_100000211634 [0,1,1,0,0,0|2,0,0]=4 3408 B13R1.149 CC(O)CCSc1cccc(c1)[S] 62a_100012276601_114929384022 [0,1,1,0,0,0|2,0,0]=4 3409 B13R1.149 CC(O)CCSc1cccc(c1)[S] 62a_114929384022_100012276601 [0,1,1,0,0,0|2,0,0]=4 3410 B13R1.149 CC(O)CNCc1cc(ccn1)Br 2230a_100000210904_100010173614 [0,1,1,0,0,0|2,0,0]=4 3411 B13R1.149 CC(O)CNCc1cc(ccn1)Br 270004a_100000210904_100009818557 [0,1,1,0,0,0|2,0,0]=4 3412 B13R1.149 CC(O)CNCc1cc(ccn1)Br 34a_100000210904_100010173614 [0,1,1,0,0,0|2,0,0]=4 3413 B13R1.149 CC(O)CNCc1cc(ccn1)Cl 2230a_100000210904_100016988179 [0,1,1,0,0,0|2,0,0]=4 3414 B13R1.149 CC(O)CNCc1cc(ccn1)Cl 270004a_100000210904_100011998288 [0,1,1,0,0,0|2,0,0]=4 3415 B13R1.149 CC(O)CNCc1cc(ccn1)Cl 34a_100000210904_100016988179 [0,1,1,0,0,0|2,0,0]=4 3416 B13R1.149 CC(O)CNCc1cccc(=O)[nH]1 207a_100000210904_100011935257 [0,1,1,0,0,0|2,0,0]=4 3417 B13R1.149 CC(O)CNCc1cccc(=O)[nH]1 2230a_100000696482_100011218427 [0,1,1,0,0,0|2,0,0]=4 3418 B13R1.149 CC(O)CNCc1cccc(c1)Br 207a_100000210904_100000210085 [0,1,1,0,0,0|1,0,0]=3 3419 B13R1.149 CC(O)CNCc1cccc(c1)Br 2230a_100000174977_100011218427 [0,1,1,0,0,0|1,0,0]=3 3420 B13R1.149 CC(O)CNCc1cccc(c1)Br 2230a_100000210904_100000698116 [0,1,1,0,0,0|1,0,0]=3 3421 B13R1.149 CC(O)CNCc1cccc(c1)Br 270004a_100000210904_100000210085 [0,1,1,0,0,0|1,0,0]=3 3422 B13R1.149 CC(O)CNCc1cccc(c1)Br 34a_100000174977_100011218427 [0,1,1,0,0,0|1,0,0]=3 3423 B13R1.149 CC(O)CNCc1cccc(c1)Br 34a_100000210904_100000698116 [0,1,1,0,0,0|1,0,0]=3 3424 B13R1.149 CC(O)CNCc1cccc(c1)Cl 207a_100000210904_100000210801 [0,1,1,0,0,0|1,0,0]=3 3425 B13R1.149 CC(O)CNCc1cccc(c1)Cl 2230a_100000174878_100011218427 [0,1,1,0,0,0|1,0,0]=3 3426 B13R1.149 CC(O)CNCc1cccc(c1)Cl 2230a_100000210904_100000181238 [0,1,1,0,0,0|1,0,0]=3 3427 B13R1.149 CC(O)CNCc1cccc(c1)Cl 270004a_100000210904_100000210801 [0,1,1,0,0,0|1,0,0]=3 3428 B13R1.149 CC(O)CNCc1cccc(c1)Cl 34a_100000174878_100011218427 [0,1,1,0,0,0|1,0,0]=3 3429 B13R1.149 CC(O)CNCc1cccc(c1)Cl 34a_100000210904_100000187163 [0,1,1,0,0,0|1,0,0]=3 3430 B13R1.149 CC(O)CNCc1cccc(c1)F 207a_100000210904_100000210812 [0,1,1,0,0,0|1,0,0]=3 3431 B13R1.149 CC(O)CNCc1cccc(c1)F 2230a_100000174948_100011218427 [0,1,1,0,0,0|1,0,0]=3 3432 B13R1.149 CC(O)CNCc1cccc(c1)F 2230a_100000210904_100000230114 [0,1,1,0,0,0|1,0,0]=3 3433 B13R1.149 CC(O)CNCc1cccc(c1)F 270004a_100000210904_100000210812 [0,1,1,0,0,0|1,0,0]=3 3434 B13R1.149 CC(O)CNCc1cccc(c1)F 34a_100000174948_100011218427 [0,1,1,0,0,0|1,0,0]=3 3435 B13R1.149 CC(O)CNCc1cccc(c1)F 34a_100000210904_100000187166 [0,1,1,0,0,0|1,0,0]=3 3436 B13R1.149 CC(O)CNCc1cccc(c1)I 207a_100000210904_100000014684 [0,1,1,0,0,0|1,0,0]=3 3437 B13R1.149 CC(O)CNCc1cccc(c1)I 2230a_100000106179_100011218427 [0,1,1,0,0,0|1,0,0]=3 3438 B13R1.149 CC(O)CNCc1cccc(c1)I 2230a_100000210904_100011218688 [0,1,1,0,0,0|1,0,0]=3 3439 B13R1.149 CC(O)CNCc1cccc(c1)I 270004a_100000210904_100000014684 [0,1,1,0,0,0|1,0,0]=3 3440 B13R1.149 CC(O)CNCc1cccc(c1)I 34a_100000106179_100011218427 [0,1,1,0,0,0|1,0,0]=3 3441 B13R1.149 CC(O)CNCc1cccc(c1)I 34a_100000210904_100011218688 [0,1,1,0,0,0|1,0,0]=3 3442 B13R1.149 CC(O)CNCc1cccc(c1)O 207a_100000210904_100000188321 [0,1,1,0,0,0|1,0,0]=3 3443 B13R1.149 CC(O)CNCc1cccc(c1)O 2230a_100000210904_100011660834 [0,1,1,0,0,0|1,0,0]=3 3444 B13R1.149 CC(O)CNCc1cccc(c1)O 2230a_100000743036_100011218427 [0,1,1,0,0,0|1,0,0]=3 3445 B13R1.149 CC(O)CNCc1cccc(c1)O 270004a_100000210904_100000188321 [0,1,1,0,0,0|1,0,0]=3 3446 B13R1.149 CC(O)CNCc1cccc(c1)O 34a_100000210904_100011660834 [0,1,1,0,0,0|1,0,0]=3 3447 B13R1.149 CC(O)CNCc1cccc(c1)O 34a_100000743036_100011218427 [0,1,1,0,0,0|1,0,0]=3 3448 B13R1.149 CC(O)CNCc1cccc(n1)Br 2230a_100000210904_100009889011 [0,1,1,0,0,0|2,0,0]=4 3449 B13R1.149 CC(O)CNCc1cccc(n1)Br 2230a_100016987751_100011218427 [0,1,1,0,0,0|2,0,0]=4 3450 B13R1.149 CC(O)CNCc1cccc(n1)Br 270004a_100000210904_100000688028 [0,1,1,0,0,0|2,0,0]=4 3451 B13R1.149 CC(O)CNCc1cccc(n1)Br 34a_100000210904_100009889011 [0,1,1,0,0,0|2,0,0]=4 3452 B13R1.149 CC(O)CNCc1cccc(n1)Cl 2230a_100000210904_100000086093 [0,1,1,0,0,0|2,0,0]=4 3453 B13R1.149 CC(O)CNCc1cccc(n1)Cl 2230a_100016990191_100011218427 [0,1,1,0,0,0|2,0,0]=4 3454 B13R1.149 CC(O)CNCc1cccc(n1)Cl 270004a_100000210904_100011361687 [0,1,1,0,0,0|2,0,0]=4 3455 B13R1.149 CC(O)CNCc1cccc(n1)Cl 34a_100000210904_100000086093 [0,1,1,0,0,0|2,0,0]=4 3456 B13R1.149 CC(O)CNCc1cccc(n1)F 2230a_100000210904_100009819644 [0,1,1,0,0,0|2,0,0]=4 3457 B13R1.149 CC(O)CNCc1cccc(n1)F 2230a_100015188798_100011218427 [0,1,1,0,0,0|2,0,0]=4 3458 B13R1.149 CC(O)CNCc1cccc(n1)F 270004a_100000210904_100000050434 [0,1,1,0,0,0|2,0,0]=4 3459 B13R1.149 CC(O)CNCc1cccc(n1)F 34a_100000210904_100009819644 [0,1,1,0,0,0|2,0,0]=4 3460 B13R1.149 CC(O)CNCc1cccc(n1)F 34a_100015188798_100011218427 [0,1,1,0,0,0|2,0,0]=4 3461 B13R1.149 CC(O)CNCc1ccnc(c1)Br 2230a_100000210904_100010243470 [0,1,1,0,0,0|2,0,0]=4 3462 B13R1.149 CC(O)CNCc1ccnc(c1)Br 2230a_100025757509_100011218427 [0,1,1,0,0,0|2,0,0]=4 3463 B13R1.149 CC(O)CNCc1ccnc(c1)Br 270004a_100000210904_100009814634 [0,1,1,0,0,0|2,0,0]=4 3464 B13R1.149 CC(O)CNCc1ccnc(c1)Br 34a_100000210904_100010243470 [0,1,1,0,0,0|2,0,0]=4 3465 B13R1.149 CC(O)CNCc1ccnc(c1)Br 34a_100025757509_100011218427 [0,1,1,0,0,0|2,0,0]=4 3466 B13R1.149 CC(O)CNCc1ccnc(c1)Cl 2230a_100000210904_100000764220 [0,1,1,0,0,0|2,0,0]=4 3467 B13R1.149 CC(O)CNCc1ccnc(c1)Cl 2230a_100015205668_100011218427 [0,1,1,0,0,0|2,0,0]=4 3468 B13R1.149 CC(O)CNCc1ccnc(c1)Cl 270004a_100000210904_100011290808 [0,1,1,0,0,0|2,0,0]=4 3469 B13R1.149 CC(O)CNCc1ccnc(c1)Cl 34a_100000210904_100000764220 [0,1,1,0,0,0|2,0,0]=4 3470 B13R1.149 CC(O)CNCc1ccnc(c1)Cl 34a_100015205668_100011218427 [0,1,1,0,0,0|2,0,0]=4 3471 B13R1.149 CC(O)CNCc1ccnc(c1)F 2230a_100015188774_100011218427 [0,1,1,0,0,0|2,0,0]=4 3472 B13R1.149 CC(O)CNCc1ccnc(c1)F 270004a_100000210904_100000068331 [0,1,1,0,0,0|2,0,0]=4 3473 B13R1.149 CC(O)CNCc1ccnc(c1)F 34a_100015188774_100011218427 [0,1,1,0,0,0|2,0,0]=4 3474 B13R1.149 CC(O)CNCc1ccnc(c1)O 207a_100000210904_100000688113 [0,1,1,0,0,0|2,0,0]=4 3475 B13R1.149 CC(O)CNCc1cncc(c1)Br 207a_100000210904_100000687066 [0,1,1,0,0,0|2,0,0]=4 3476 B13R1.149 CC(O)CNCc1cncc(c1)Br 2230a_100000210904_100000738771 [0,1,1,0,0,0|2,0,0]=4 3477 B13R1.149 CC(O)CNCc1cncc(c1)Br 270004a_100000210904_100000687066 [0,1,1,0,0,0|2,0,0]=4 3478 B13R1.149 CC(O)CNCc1cncc(c1)Br 34a_100000210904_100000738771 [0,1,1,0,0,0|2,0,0]=4 3479 B13R1.149 CC(O)CNCc1cncc(c1)Cl 207a_100000210904_100000088910 [0,1,1,0,0,0|2,0,0]=4 3480 B13R1.149 CC(O)CNCc1cncc(c1)Cl 2230a_100000210904_100016992070 [0,1,1,0,0,0|2,0,0]=4 3481 B13R1.149 CC(O)CNCc1cncc(c1)Cl 2230a_200020614424_100011218427 [0,1,1,0,0,0|2,0,0]=4 3482 B13R1.149 CC(O)CNCc1cncc(c1)Cl 270004a_100000210904_100000088910 [0,1,1,0,0,0|2,0,0]=4 3483 B13R1.149 CC(O)CNCc1cncc(c1)Cl 34a_100000210904_100016992070 [0,1,1,0,0,0|2,0,0]=4 3484 B13R1.149 CC(O)CNCc1cncc(c1)F 207a_100000210904_100011361476 [0,1,1,0,0,0|2,0,0]=4 3485 B13R1.149 CC(O)CNCc1cncc(c1)F 2230a_100000210904_100000725299 [0,1,1,0,0,0|2,0,0]=4 3486 B13R1.149 CC(O)CNCc1cncc(c1)F 2230a_100011962886_100011218427 [0,1,1,0,0,0|2,0,0]=4 3487 B13R1.149 CC(O)CNCc1cncc(c1)F 270004a_100000210904_100011361476 [0,1,1,0,0,0|2,0,0]=4 3488 B13R1.149 CC(O)CNCc1cncc(c1)F 34a_100000210904_100000725299 [0,1,1,0,0,0|2,0,0]=4 3489 B13R1.149 CC(O)CNCc1cncc(c1)F 34a_100011962886_100011218427 [0,1,1,0,0,0|2,0,0]=4 3490 B13R1.149 CC(O)CNCc1cncc(c1)O 207a_100000210904_100012187055 [0,1,1,0,0,0|2,0,0]=4 3491 B13R1.149 CC(O)CNCc1cncc(c1)O 270004a_100000210904_100012187055 [0,1,1,0,0,0|2,0,0]=4 3492 B13R1.149 CC(O)COCc1cc(ccn1)Cl 34a_100000748867_100011218427 [0,1,1,0,0,0|1,0,0]=3 3493 B13R1.149 CC(O)COCc1cc(ccn1)N 34a_100000692640_100011218427 [0,1,1,0,0,0|1,0,0]=3 3494 B13R1.149 CC(O)COCc1ccc[n+](c1)[O-] 34a_100000037817_100011218427 [0,1,1,0,0,0|1,0,0]=3 3495 B13R1.149 CC(O)COCc1ccc[n+](c1)[O-] 7a_100000037817_100011218427 [0,1,1,0,0,0|1,0,0]=3 3496 B13R1.149 CC(O)COCc1cccc(c1)Br 34a_100000687537_100011218427 [0,1,1,0,0,0|0,0,0]=2 3497 B13R1.149 CC(O)COCc1cccc(c1)Br 7a_100000687537_100011218427 [0,1,1,0,0,0|0,0,0]=2 3498 B13R1.149 CC(O)COCc1cccc(c1)Cl 34a_100000241301_100011218427 [0,1,1,0,0,0|0,0,0]=2 3499 B13R1.149 CC(O)COCc1cccc(c1)Cl 7a_100000241301_100011218427 [0,1,1,0,0,0|0,0,0]=2 3500 B13R1.149 CC(O)COCc1cccc(c1)F 34a_100000210976_100011218427 [0,1,1,0,0,0|0,0,0]=2 3501 B13R1.149 CC(O)COCc1cccc(c1)F 7a_100000210976_100011218427 [0,1,1,0,0,0|0,0,0]=2 3502 B13R1.149 CC(O)COCc1cccc(c1)I 34a_100011215336_100011218427 [0,1,1,0,0,0|0,0,0]=2 3503 B13R1.149 CC(O)COCc1cccc(c1)I 7a_100011215336_100011218427 [0,1,1,0,0,0|0,0,0]=2 3504 B13R1.149 CC(O)COCc1cccc(c1)N 34a_100000211919_100011218427 [0,1,1,0,0,0|0,0,0]=2 3505 B13R1.149 CC(O)COCc1cccc(n1)Br 34a_100000694195_100011218427 [0,1,1,0,0,0|1,0,0]=3 3506 B13R1.149 CC(O)COCc1cccc(n1)Cl 34a_100011998359_100011218427 [0,1,1,0,0,0|1,0,0]=3 3507 B13R1.149 CC(O)COCc1cccc(n1)F 34a_100000086748_100011218427 [0,1,1,0,0,0|1,0,0]=3 3508 B13R1.149 CC(O)COCc1ccnc(c1)Br 34a_100009814636_100011218427 [0,1,1,0,0,0|1,0,0]=3 3509 B13R1.149 CC(O)COCc1ccnc(c1)Br 7a_100009814636_100011218427 [0,1,1,0,0,0|1,0,0]=3 3510 B13R1.149 CC(O)COCc1ccnc(c1)Cl 34a_100000748751_100011218427 [0,1,1,0,0,0|1,0,0]=3 3511 B13R1.149 CC(O)COCc1ccnc(c1)F 34a_100000082451_100011218427 [0,1,1,0,0,0|1,0,0]=3 3512 B13R1.149 CC(O)COCc1cncc(c1)Br 34a_100011259137_100011218427 [0,1,1,0,0,0|1,0,0]=3 3513 B13R1.149 CC(O)COCc1cncc(c1)Br 7a_100011259137_100011218427 [0,1,1,0,0,0|1,0,0]=3 3514 B13R1.149 CC(O)COCc1cncc(c1)Cl 34a_100000092867_100011218427 [0,1,1,0,0,0|1,0,0]=3 3515 B13R1.149 CC(O)COCc1cncc(c1)Cl 7a_100000092867_100011218427 [0,1,1,0,0,0|1,0,0]=3 3516 B13R1.149 CC(O)COCc1cncc(c1)F 34a_100011962875_100011218427 [0,1,1,0,0,0|1,0,0]=3 3517 B13R1.149 CC(O)COCc1cncc(c1)F 7a_100011962875_100011218427 [0,1,1,0,0,0|1,0,0]=3 3518 B13R1.149 CC(O)COCc1cncc(c1)N 34a_100000085308_100011218427 [0,1,1,0,0,0|1,0,0]=3 3519 B13R1.149 CC(O)CSCc1cc(ccn1)Br 62a_100010173614_100011218427 [0,1,1,0,0,0|1,1,0]=4 3520 B13R1.149 CC(O)CSCc1cc(ccn1)Br 62a_100011218427_100010173614 [0,1,1,0,0,0|1,1,0]=4 3521 B13R1.149 CC(O)CSCc1cc(ccn1)Cl 62a_100011218427_100016988179 [0,1,1,0,0,0|1,1,0]=4 3522 B13R1.149 CC(O)CSCc1cc(ccn1)Cl 62a_100016988179_100011218427 [0,1,1,0,0,0|1,1,0]=4 3523 B13R1.149 CC(O)CSCc1cccc(c1)Br 62a_100000211773_100011218427 [0,1,1,0,0,0|0,1,0]=3 3524 B13R1.149 CC(O)CSCc1cccc(c1)Br 62a_100011218427_100000211773 [0,1,1,0,0,0|0,1,0]=3 3525 B13R1.149 CC(O)CSCc1cccc(c1)Cl 62a_100000187163_100011218427 [0,1,1,0,0,0|0,1,0]=3 3526 B13R1.149 CC(O)CSCc1cccc(c1)Cl 62a_100011218427_100000187163 [0,1,1,0,0,0|0,1,0]=3 3527 B13R1.149 CC(O)CSCc1cccc(c1)F 62a_100000230114_100011218427 [0,1,1,0,0,0|0,1,0]=3 3528 B13R1.149 CC(O)CSCc1cccc(c1)F 62a_100011218427_100000230114 [0,1,1,0,0,0|0,1,0]=3 3529 B13R1.149 CC(O)CSCc1cccc(c1)I 62a_100011218427_100011218688 [0,1,1,0,0,0|0,1,0]=3 3530 B13R1.149 CC(O)CSCc1cccc(c1)I 62a_100011218688_100011218427 [0,1,1,0,0,0|0,1,0]=3 3531 B13R1.149 CC(O)CSCc1cccc(c1)O 62a_100011218427_100011660834 [0,1,1,0,0,0|0,1,0]=3 3532 B13R1.149 CC(O)CSCc1cccc(c1)O 62a_100011660834_100011218427 [0,1,1,0,0,0|0,1,0]=3 3533 B13R1.149 CC(O)CSCc1cccc(n1)Br 62a_100009889011_100011218427 [0,1,1,0,0,0|1,1,0]=4 3534 B13R1.149 CC(O)CSCc1cccc(n1)Br 62a_100011218427_100009889011 [0,1,1,0,0,0|1,1,0]=4 3535 B13R1.149 CC(O)CSCc1cccc(n1)Cl 62a_100000086093_100011218427 [0,1,1,0,0,0|1,1,0]=4 3536 B13R1.149 CC(O)CSCc1cccc(n1)Cl 62a_100011218427_100000086093 [0,1,1,0,0,0|1,1,0]=4 3537 B13R1.149 CC(O)CSCc1cccc(n1)F 62a_100009819644_100011218427 [0,1,1,0,0,0|1,1,0]=4 3538 B13R1.149 CC(O)CSCc1cccc(n1)F 62a_100011218427_100009819644 [0,1,1,0,0,0|1,1,0]=4 3539 B13R1.149 CC(O)CSCc1ccnc(c1)Br 62a_100010254460_100011218427 [0,1,1,0,0,0|1,1,0]=4 3540 B13R1.149 CC(O)CSCc1ccnc(c1)Br 62a_100011218427_100010243470 [0,1,1,0,0,0|1,1,0]=4 3541 B13R1.149 CC(O)CSCc1ccnc(c1)Cl 62a_100000764220_100011218427 [0,1,1,0,0,0|1,1,0]=4 3542 B13R1.149 CC(O)CSCc1ccnc(c1)Cl 62a_100011218427_100000764220 [0,1,1,0,0,0|1,1,0]=4 3543 B13R1.149 CC(O)CSCc1cncc(c1)Br 62a_100000738771_100011218427 [0,1,1,0,0,0|1,1,0]=4 3544 B13R1.149 CC(O)CSCc1cncc(c1)Br 62a_100011218427_100000738771 [0,1,1,0,0,0|1,1,0]=4 3545 B13R1.149 CC(O)CSCc1cncc(c1)Cl 62a_100011218427_100016992070 [0,1,1,0,0,0|1,1,0]=4 3546 B13R1.149 CC(O)CSCc1cncc(c1)Cl 62a_100016992070_100011218427 [0,1,1,0,0,0|1,1,0]=4 3547 B13R1.149 CC(O)CSCc1cncc(c1)F 62a_100000725299_100011218427 [0,1,1,0,0,0|1,1,0]=4 3548 B13R1.149 CC(O)CSCc1cncc(c1)F 62a_100011218427_100000725299 [0,1,1,0,0,0|1,1,0]=4 3549 B13R1.149 C[C@@H](Cl)COCc1cc(ccn1)Br 34a_100016084084_100010173614 [0,1,1,0,0,0|2,0,0]=4 3550 B13R1.149 C[C@@H](Cl)COCc1cc(ccn1)Cl 34a_100016084084_100016988179 [0,1,1,0,0,0|2,0,0]=4 3551 B13R1.149 C[C@@H](Cl)COCc1cccc(c1)Br 34a_100016084084_100000698116 [0,1,1,0,0,0|1,0,0]=3 3552 B13R1.149 C[C@@H](Cl)COCc1cccc(c1)Cl 34a_100016084084_100000187163 [0,1,1,0,0,0|1,0,0]=3 3553 B13R1.149 C[C@@H](Cl)COCc1cccc(c1)F 34a_100016084084_100000187166 [0,1,1,0,0,0|1,0,0]=3 3554 B13R1.149 C[C@@H](Cl)COCc1cccc(c1)I 34a_100016084084_100011218688 [0,1,1,0,0,0|1,0,0]=3 3555 B13R1.149 C[C@@H](Cl)COCc1cccc(c1)O 34a_100016084084_100011660834 [0,1,1,0,0,0|1,0,0]=3 3556 B13R1.149 C[C@@H](Cl)COCc1cccc(n1)Br 34a_100016084084_100009889011 [0,1,1,0,0,0|2,0,0]=4 3557 B13R1.149 C[C@@H](Cl)COCc1cccc(n1)Cl 34a_100016084084_100000086093 [0,1,1,0,0,0|2,0,0]=4 3558 B13R1.149 C[C@@H](Cl)COCc1cccc(n1)F 34a_100016084084_100009819644 [0,1,1,0,0,0|2,0,0]=4 3559 B13R1.149 C[C@@H](Cl)COCc1ccnc(c1)Br 34a_100016084084_100010243470 [0,1,1,0,0,0|2,0,0]=4 3560 B13R1.149 C[C@@H](Cl)COCc1ccnc(c1)Cl 34a_100016084084_100000764220 [0,1,1,0,0,0|2,0,0]=4 3561 B13R1.149 C[C@@H](Cl)COCc1cncc(c1)Br 34a_100016084084_100000738771 [0,1,1,0,0,0|2,0,0]=4 3562 B13R1.149 C[C@@H](Cl)COCc1cncc(c1)Cl 34a_100016084084_100016992070 [0,1,1,0,0,0|2,0,0]=4 3563 B13R1.149 C[C@@H](Cl)COCc1cncc(c1)F 34a_100016084084_100000725299 [0,1,1,0,0,0|2,0,0]=4 3564 B13R1.149 C[C@@H](N)COCc1cc(ccn1)Br 34a_100000737577_100010173614 [0,1,1,0,0,0|2,0,0]=4 3565 B13R1.149 C[C@@H](N)COCc1cc(ccn1)Cl 34a_100000737577_100016988179 [0,1,1,0,0,0|2,0,0]=4 3566 B13R1.149 C[C@@H](N)COCc1cccc(c1)Br 34a_100000737577_100000698116 [0,1,1,0,0,0|1,0,0]=3 3567 B13R1.149 C[C@@H](N)COCc1cccc(c1)Cl 34a_100000737577_100000187163 [0,1,1,0,0,0|1,0,0]=3 3568 B13R1.149 C[C@@H](N)COCc1cccc(c1)F 34a_100000737577_100000187166 [0,1,1,0,0,0|1,0,0]=3 3569 B13R1.149 C[C@@H](N)COCc1cccc(c1)I 34a_100000737577_100011218688 [0,1,1,0,0,0|1,0,0]=3 3570 B13R1.149 C[C@@H](N)COCc1cccc(c1)O 34a_100000737577_100011660834 [0,1,1,0,0,0|1,0,0]=3 3571 B13R1.149 C[C@@H](N)COCc1cccc(n1)Br 34a_100000737577_100009889011 [0,1,1,0,0,0|2,0,0]=4 3572 B13R1.149 C[C@@H](N)COCc1cccc(n1)Cl 34a_100000737577_100000086093 [0,1,1,0,0,0|2,0,0]=4 3573 B13R1.149 C[C@@H](N)COCc1cccc(n1)F 34a_100000737577_100009819644 [0,1,1,0,0,0|2,0,0]=4 3574 B13R1.149 C[C@@H](N)COCc1ccnc(c1)Br 34a_100000737577_100010243470 [0,1,1,0,0,0|2,0,0]=4 3575 B13R1.149 C[C@@H](N)COCc1ccnc(c1)Cl 34a_100000737577_100000764220 [0,1,1,0,0,0|2,0,0]=4 3576 B13R1.149 C[C@@H](N)COCc1cncc(c1)Br 34a_100000737577_100000738771 [0,1,1,0,0,0|2,0,0]=4 3577 B13R1.149 C[C@@H](N)COCc1cncc(c1)Cl 34a_100000737577_100016992070 [0,1,1,0,0,0|2,0,0]=4 3578 B13R1.149 C[C@@H](N)COCc1cncc(c1)F 34a_100000737577_100000725299 [0,1,1,0,0,0|2,0,0]=4 3579 B13R1.149 C[C@@H](O)CNCc1cccc(=O)[nH]1 2230a_100000696482_100009817552 [0,1,1,0,0,0|2,0,0]=4 3580 B13R1.149 C[C@@H](O)CNCc1cccc(c1)Br 2230a_100000174977_100009817552 [0,1,1,0,0,0|1,0,0]=3 3581 B13R1.149 C[C@@H](O)CNCc1cccc(c1)Br 34a_100000174977_100009817552 [0,1,1,0,0,0|1,0,0]=3 3582 B13R1.149 C[C@@H](O)CNCc1cccc(c1)Cl 2230a_100000174878_100009817552 [0,1,1,0,0,0|1,0,0]=3 3583 B13R1.149 C[C@@H](O)CNCc1cccc(c1)Cl 34a_100000174878_100009817552 [0,1,1,0,0,0|1,0,0]=3 3584 B13R1.149 C[C@@H](O)CNCc1cccc(c1)F 2230a_100000174948_100009817552 [0,1,1,0,0,0|1,0,0]=3 3585 B13R1.149 C[C@@H](O)CNCc1cccc(c1)F 34a_100000174948_100009817552 [0,1,1,0,0,0|1,0,0]=3 3586 B13R1.149 C[C@@H](O)CNCc1cccc(c1)I 2230a_100000106179_100009817552 [0,1,1,0,0,0|1,0,0]=3 3587 B13R1.149 C[C@@H](O)CNCc1cccc(c1)I 34a_100000106179_100009817552 [0,1,1,0,0,0|1,0,0]=3 3588 B13R1.149 C[C@@H](O)CNCc1cccc(c1)O 2230a_100000743036_100009817552 [0,1,1,0,0,0|1,0,0]=3 3589 B13R1.149 C[C@@H](O)CNCc1cccc(c1)O 34a_100000743036_100009817552 [0,1,1,0,0,0|1,0,0]=3 3590 B13R1.149 C[C@@H](O)CNCc1cccc(n1)Br 2230a_100016987751_100009817552 [0,1,1,0,0,0|2,0,0]=4 3591 B13R1.149 C[C@@H](O)CNCc1cccc(n1)Cl 2230a_100016990191_100009817552 [0,1,1,0,0,0|2,0,0]=4 3592 B13R1.149 C[C@@H](O)CNCc1cccc(n1)F 2230a_100015188798_100009817552 [0,1,1,0,0,0|2,0,0]=4 3593 B13R1.149 C[C@@H](O)CNCc1cccc(n1)F 34a_100015188798_100009817552 [0,1,1,0,0,0|2,0,0]=4 3594 B13R1.149 C[C@@H](O)CNCc1ccnc(c1)Br 2230a_100025757509_100009817552 [0,1,1,0,0,0|2,0,0]=4 3595 B13R1.149 C[C@@H](O)CNCc1ccnc(c1)Br 34a_100025757509_100009817552 [0,1,1,0,0,0|2,0,0]=4 3596 B13R1.149 C[C@@H](O)CNCc1ccnc(c1)Cl 2230a_100015205668_100009817552 [0,1,1,0,0,0|2,0,0]=4 3597 B13R1.149 C[C@@H](O)CNCc1ccnc(c1)Cl 34a_100015205668_100009817552 [0,1,1,0,0,0|2,0,0]=4 3598 B13R1.149 C[C@@H](O)CNCc1ccnc(c1)F 2230a_100015188774_100009817552 [0,1,1,0,0,0|2,0,0]=4 3599 B13R1.149 C[C@@H](O)CNCc1ccnc(c1)F 34a_100015188774_100009817552 [0,1,1,0,0,0|2,0,0]=4 3600 B13R1.149 C[C@@H](O)CNCc1cncc(c1)Cl 2230a_200020614424_100009817552 [0,1,1,0,0,0|2,0,0]=4 3601 B13R1.149 C[C@@H](O)CNCc1cncc(c1)F 2230a_100011962886_100009817552 [0,1,1,0,0,0|2,0,0]=4 3602 B13R1.149 C[C@@H](O)CNCc1cncc(c1)F 34a_100011962886_100009817552 [0,1,1,0,0,0|2,0,0]=4 3603 B13R1.149 C[C@@H](O)COCc1cc(ccn1)Cl 34a_100000748867_100009817552 [0,1,1,0,0,0|1,0,0]=3 3604 B13R1.149 C[C@@H](O)COCc1cc(ccn1)N 34a_100000692640_100009817552 [0,1,1,0,0,0|1,0,0]=3 3605 B13R1.149 C[C@@H](O)COCc1ccc[n+](c1)[O-] 34a_100000037817_100009817552 [0,1,1,0,0,0|1,0,0]=3 3606 B13R1.149 C[C@@H](O)COCc1ccc[n+](c1)[O-] 7a_100000037817_100009817552 [0,1,1,0,0,0|1,0,0]=3 3607 B13R1.149 C[C@@H](O)COCc1cccc(c1)Br 34a_100000687537_100009817552 [0,1,1,0,0,0|0,0,0]=2 3608 B13R1.149 C[C@@H](O)COCc1cccc(c1)Br 7a_100000687537_100009817552 [0,1,1,0,0,0|0,0,0]=2 3609 B13R1.149 C[C@@H](O)COCc1cccc(c1)Cl 34a_100000241301_100009817552 [0,1,1,0,0,0|0,0,0]=2 3610 B13R1.149 C[C@@H](O)COCc1cccc(c1)Cl 7a_100000241301_100009817552 [0,1,1,0,0,0|0,0,0]=2 3611 B13R1.149 C[C@@H](O)COCc1cccc(c1)F 34a_100000210976_100009817552 [0,1,1,0,0,0|0,0,0]=2 3612 B13R1.149 C[C@@H](O)COCc1cccc(c1)F 7a_100000210976_100009817552 [0,1,1,0,0,0|0,0,0]=2 3613 B13R1.149 C[C@@H](O)COCc1cccc(c1)I 34a_100011215336_100009817552 [0,1,1,0,0,0|0,0,0]=2 3614 B13R1.149 C[C@@H](O)COCc1cccc(c1)I 7a_100011215336_100009817552 [0,1,1,0,0,0|0,0,0]=2 3615 B13R1.149 C[C@@H](O)COCc1cccc(c1)N 34a_100000211919_100009817552 [0,1,1,0,0,0|0,0,0]=2 3616 B13R1.149 C[C@@H](O)COCc1cccc(n1)Br 34a_100000694195_100009817552 [0,1,1,0,0,0|1,0,0]=3 3617 B13R1.149 C[C@@H](O)COCc1cccc(n1)Cl 34a_100011998359_100009817552 [0,1,1,0,0,0|1,0,0]=3 3618 B13R1.149 C[C@@H](O)COCc1cccc(n1)F 34a_100000086748_100009817552 [0,1,1,0,0,0|1,0,0]=3 3619 B13R1.149 C[C@@H](O)COCc1ccnc(c1)Br 34a_100009814636_100009817552 [0,1,1,0,0,0|1,0,0]=3 3620 B13R1.149 C[C@@H](O)COCc1ccnc(c1)Br 7a_100009814636_100009817552 [0,1,1,0,0,0|1,0,0]=3 3621 B13R1.149 C[C@@H](O)COCc1ccnc(c1)Cl 34a_100000748751_100009817552 [0,1,1,0,0,0|1,0,0]=3 3622 B13R1.149 C[C@@H](O)COCc1ccnc(c1)F 34a_100000082451_100009817552 [0,1,1,0,0,0|1,0,0]=3 3623 B13R1.149 C[C@@H](O)COCc1cncc(c1)Br 34a_100011259137_100009817552 [0,1,1,0,0,0|1,0,0]=3 3624 B13R1.149 C[C@@H](O)COCc1cncc(c1)Br 7a_100011259137_100009817552 [0,1,1,0,0,0|1,0,0]=3 3625 B13R1.149 C[C@@H](O)COCc1cncc(c1)Cl 34a_100000092867_100009817552 [0,1,1,0,0,0|1,0,0]=3 3626 B13R1.149 C[C@@H](O)COCc1cncc(c1)Cl 7a_100000092867_100009817552 [0,1,1,0,0,0|1,0,0]=3 3627 B13R1.149 C[C@@H](O)COCc1cncc(c1)F 34a_100011962875_100009817552 [0,1,1,0,0,0|1,0,0]=3 3628 B13R1.149 C[C@@H](O)COCc1cncc(c1)F 7a_100011962875_100009817552 [0,1,1,0,0,0|1,0,0]=3 3629 B13R1.149 C[C@@H](O)COCc1cncc(c1)N 34a_100000085308_100009817552 [0,1,1,0,0,0|1,0,0]=3 3630 B13R1.149 C[C@@H](O)CSCc1cc(ccn1)Br 62a_100009817552_100010173614 [0,1,1,0,0,0|1,1,0]=4 3631 B13R1.149 C[C@@H](O)CSCc1cc(ccn1)Br 62a_100010173614_100009817552 [0,1,1,0,0,0|1,1,0]=4 3632 B13R1.149 C[C@@H](O)CSCc1cc(ccn1)Cl 62a_100009817552_100016988179 [0,1,1,0,0,0|1,1,0]=4 3633 B13R1.149 C[C@@H](O)CSCc1cc(ccn1)Cl 62a_100016988179_100009817552 [0,1,1,0,0,0|1,1,0]=4 3634 B13R1.149 C[C@@H](O)CSCc1cccc(c1)Br 62a_100000211773_100009817552 [0,1,1,0,0,0|0,1,0]=3 3635 B13R1.149 C[C@@H](O)CSCc1cccc(c1)Br 62a_100009817552_100000211773 [0,1,1,0,0,0|0,1,0]=3 3636 B13R1.149 C[C@@H](O)CSCc1cccc(c1)Cl 62a_100000187163_100009817552 [0,1,1,0,0,0|0,1,0]=3 3637 B13R1.149 C[C@@H](O)CSCc1cccc(c1)Cl 62a_100009817552_100000187163 [0,1,1,0,0,0|0,1,0]=3 3638 B13R1.149 C[C@@H](O)CSCc1cccc(c1)F 62a_100000230114_100009817552 [0,1,1,0,0,0|0,1,0]=3 3639 B13R1.149 C[C@@H](O)CSCc1cccc(c1)F 62a_100009817552_100000230114 [0,1,1,0,0,0|0,1,0]=3 3640 B13R1.149 C[C@@H](O)CSCc1cccc(c1)I 62a_100009817552_100011218688 [0,1,1,0,0,0|0,1,0]=3 3641 B13R1.149 C[C@@H](O)CSCc1cccc(c1)I 62a_100011218688_100009817552 [0,1,1,0,0,0|0,1,0]=3 3642 B13R1.149 C[C@@H](O)CSCc1cccc(c1)O 62a_100009817552_100011660834 [0,1,1,0,0,0|0,1,0]=3 3643 B13R1.149 C[C@@H](O)CSCc1cccc(c1)O 62a_100011660834_100009817552 [0,1,1,0,0,0|0,1,0]=3 3644 B13R1.149 C[C@@H](O)CSCc1cccc(n1)Br 62a_100009817552_100009889011 [0,1,1,0,0,0|1,1,0]=4 3645 B13R1.149 C[C@@H](O)CSCc1cccc(n1)Br 62a_100009889011_100009817552 [0,1,1,0,0,0|1,1,0]=4 3646 B13R1.149 C[C@@H](O)CSCc1cccc(n1)Cl 62a_100000086093_100009817552 [0,1,1,0,0,0|1,1,0]=4 3647 B13R1.149 C[C@@H](O)CSCc1cccc(n1)Cl 62a_100009817552_100000086093 [0,1,1,0,0,0|1,1,0]=4 3648 B13R1.149 C[C@@H](O)CSCc1cccc(n1)F 62a_100009817552_100009819644 [0,1,1,0,0,0|1,1,0]=4 3649 B13R1.149 C[C@@H](O)CSCc1cccc(n1)F 62a_100009819644_100009817552 [0,1,1,0,0,0|1,1,0]=4 3650 B13R1.149 C[C@@H](O)CSCc1ccnc(c1)Br 62a_100009817552_100010243470 [0,1,1,0,0,0|1,1,0]=4 3651 B13R1.149 C[C@@H](O)CSCc1ccnc(c1)Br 62a_100010254460_100009817552 [0,1,1,0,0,0|1,1,0]=4 3652 B13R1.149 C[C@@H](O)CSCc1ccnc(c1)Cl 62a_100000764220_100009817552 [0,1,1,0,0,0|1,1,0]=4 3653 B13R1.149 C[C@@H](O)CSCc1ccnc(c1)Cl 62a_100009817552_100000764220 [0,1,1,0,0,0|1,1,0]=4 3654 B13R1.149 C[C@@H](O)CSCc1cncc(c1)Br 62a_100000738771_100009817552 [0,1,1,0,0,0|1,1,0]=4 3655 B13R1.149 C[C@@H](O)CSCc1cncc(c1)Br 62a_100009817552_100000738771 [0,1,1,0,0,0|1,1,0]=4 3656 B13R1.149 C[C@@H](O)CSCc1cncc(c1)Cl 62a_100009817552_100016992070 [0,1,1,0,0,0|1,1,0]=4 3657 B13R1.149 C[C@@H](O)CSCc1cncc(c1)Cl 62a_100016992070_100009817552 [0,1,1,0,0,0|1,1,0]=4 3658 B13R1.149 C[C@@H](O)CSCc1cncc(c1)F 62a_100000725299_100009817552 [0,1,1,0,0,0|1,1,0]=4 3659 B13R1.149 C[C@@H](O)CSCc1cncc(c1)F 62a_100009817552_100000725299 [0,1,1,0,0,0|1,1,0]=4 3660 B13R1.149 Cc1cc(ccn1)CNCC(C)O 207a_100000210904_100011361630 [0,1,1,0,0,0|2,0,0]=4 3661 B13R1.149 Cc1cc(ccn1)CNCC(C)O 2230a_100000210904_200020672517 [0,1,1,0,0,0|2,0,0]=4 3662 B13R1.149 Cc1cc(ccn1)CNCC(C)O 270004a_100000210904_100011361630 [0,1,1,0,0,0|2,0,0]=4 3663 B13R1.149 Cc1cc(ccn1)CNCC(C)O 34a_100000210904_200020672517 [0,1,1,0,0,0|2,0,0]=4 3664 B13R1.149 Cc1cc(ccn1)CNCC(C)O 34a_100011934566_100011218427 [0,1,1,0,0,0|2,0,0]=4 3665 B13R1.149 Cc1cc(ccn1)CNC[C@@H](C)O 34a_100011934566_100009817552 [0,1,1,0,0,0|2,0,0]=4 3666 B13R1.149 Cc1cc(ccn1)COCC(C)Br 34a_100012180447_200020672517 [0,1,1,0,0,0|2,0,0]=4 3667 B13R1.149 Cc1cc(ccn1)COCC(C)C 34a_100000210257_200020672517 [0,1,1,0,0,0|2,0,0]=4 3668 B13R1.149 Cc1cc(ccn1)COCC(C)C 34a_100011998630_100000210624 [0,1,1,0,0,0|2,0,0]=4 3669 B13R1.149 Cc1cc(ccn1)COCC(C)F 34a_100015925927_200020672517 [0,1,1,0,0,0|2,0,0]=4 3670 B13R1.149 Cc1cc(ccn1)COCC(C)O 34a_100011998630_100011218427 [0,1,1,0,0,0|1,0,0]=3 3671 B13R1.149 Cc1cc(ccn1)COC[C@@H](C)Cl 34a_100016084084_200020672517 [0,1,1,0,0,0|2,0,0]=4 3672 B13R1.149 Cc1cc(ccn1)COC[C@@H](C)N 34a_100000737577_200020672517 [0,1,1,0,0,0|2,0,0]=4 3673 B13R1.149 Cc1cc(ccn1)COC[C@@H](C)O 34a_100011998630_100009817552 [0,1,1,0,0,0|1,0,0]=3 3674 B13R1.149 Cc1cc(ccn1)CSCC(C)O 62a_100011218427_200020672517 [0,1,1,0,0,0|1,1,0]=4 3675 B13R1.149 Cc1cc(ccn1)CSCC(C)O 62a_200020672517_100011218427 [0,1,1,0,0,0|1,1,0]=4 3676 B13R1.149 Cc1cc(ccn1)CSC[C@@H](C)O 62a_100009817552_200020672517 [0,1,1,0,0,0|1,1,0]=4 3677 B13R1.149 Cc1cc(ccn1)CSC[C@@H](C)O 62a_200020672517_100009817552 [0,1,1,0,0,0|1,1,0]=4 3678 B13R1.149 Cc1cccc(c1)CNCC(C)C 207a_100000210953_100000211157 [0,1,1,0,0,0|2,0,0]=4 3679 B13R1.149 Cc1cccc(c1)CNCC(C)C 2230a_100000185548_100000210760 [0,1,1,0,0,0|2,0,0]=4 3680 B13R1.149 Cc1cccc(c1)CNCC(C)C 2230a_100000210953_100000211840 [0,1,1,0,0,0|2,0,0]=4 3681 B13R1.149 Cc1cccc(c1)CNCC(C)C 270004a_100000185548_100000210432 [0,1,1,0,0,0|2,0,0]=4 3682 B13R1.149 Cc1cccc(c1)CNCC(C)C 270004a_100000210953_100000211157 [0,1,1,0,0,0|2,0,0]=4 3683 B13R1.149 Cc1cccc(c1)CNCC(C)C 34a_100000185548_100000210624 [0,1,1,0,0,0|2,0,0]=4 3684 B13R1.149 Cc1cccc(c1)CNCC(C)C 34a_100000210953_100000211840 [0,1,1,0,0,0|2,0,0]=4 3685 B13R1.149 Cc1cccc(c1)CNCC(C)O 207a_100000210904_100000211157 [0,1,1,0,0,0|1,0,0]=3 3686 B13R1.149 Cc1cccc(c1)CNCC(C)O 2230a_100000185548_100011218427 [0,1,1,0,0,0|1,0,0]=3 3687 B13R1.149 Cc1cccc(c1)CNCC(C)O 2230a_100000210904_100000211840 [0,1,1,0,0,0|1,0,0]=3 3688 B13R1.149 Cc1cccc(c1)CNCC(C)O 270004a_100000210904_100000211157 [0,1,1,0,0,0|1,0,0]=3 3689 B13R1.149 Cc1cccc(c1)CNCC(C)O 34a_100000185548_100011218427 [0,1,1,0,0,0|1,0,0]=3 3690 B13R1.149 Cc1cccc(c1)CNCC(C)O 34a_100000210904_100000211840 [0,1,1,0,0,0|1,0,0]=3 3691 B13R1.149 Cc1cccc(c1)CNC[C@@H](C)O 2230a_100000185548_100009817552 [0,1,1,0,0,0|1,0,0]=3 3692 B13R1.149 Cc1cccc(c1)CNC[C@@H](C)O 34a_100000185548_100009817552 [0,1,1,0,0,0|1,0,0]=3 3693 B13R1.149 Cc1cccc(c1)COCC(C)Br 34a_100012180447_100000211840 [0,1,1,0,0,0|1,0,0]=3 3694 B13R1.149 Cc1cccc(c1)COCC(C)C 34a_100000210257_100000211840 [0,1,1,0,0,0|1,0,0]=3 3695 B13R1.149 Cc1cccc(c1)COCC(C)C 34a_100011217746_100000210624 [0,1,1,0,0,0|1,0,0]=3 3696 B13R1.149 Cc1cccc(c1)COCC(C)C 7a_100011217746_100000210760 [0,1,1,0,0,0|1,0,0]=3 3697 B13R1.149 Cc1cccc(c1)COCC(C)F 34a_100015925927_100000211840 [0,1,1,0,0,0|1,0,0]=3 3698 B13R1.149 Cc1cccc(c1)COCC(C)O 34a_100011217746_100011218427 [0,1,1,0,0,0|0,0,0]=2 3699 B13R1.149 Cc1cccc(c1)COCC(C)O 7a_100011217746_100011218427 [0,1,1,0,0,0|0,0,0]=2 3700 B13R1.149 Cc1cccc(c1)COCC(F)F 34a_100000743014_100000211840 [0,1,1,0,0,0|2,0,0]=4 3701 B13R1.149 Cc1cccc(c1)COCC(F)F 34a_100011217746_100011934356 [0,1,1,0,0,0|2,0,0]=4 3702 B13R1.149 Cc1cccc(c1)COCC(F)F 7a_100011217746_100011934356 [0,1,1,0,0,0|2,0,0]=4 3703 B13R1.149 Cc1cccc(c1)COC[C@@H](C)Cl 34a_100016084084_100000211840 [0,1,1,0,0,0|1,0,0]=3 3704 B13R1.149 Cc1cccc(c1)COC[C@@H](C)N 34a_100000737577_100000211840 [0,1,1,0,0,0|1,0,0]=3 3705 B13R1.149 Cc1cccc(c1)COC[C@@H](C)O 34a_100011217746_100009817552 [0,1,1,0,0,0|0,0,0]=2 3706 B13R1.149 Cc1cccc(c1)COC[C@@H](C)O 7a_100011217746_100009817552 [0,1,1,0,0,0|0,0,0]=2 3707 B13R1.149 Cc1cccc(c1)CSCC(C)C 62a_100000210624_100000211840 [0,1,1,0,0,0|1,1,0]=4 3708 B13R1.149 Cc1cccc(c1)CSCC(C)C 62a_100000211840_100000210760 [0,1,1,0,0,0|1,1,0]=4 3709 B13R1.149 Cc1cccc(c1)CSCC(C)O 62a_100000211840_100011218427 [0,1,1,0,0,0|0,1,0]=3 3710 B13R1.149 Cc1cccc(c1)CSCC(C)O 62a_100011218427_100000211840 [0,1,1,0,0,0|0,1,0]=3 3711 B13R1.149 Cc1cccc(c1)CSC[C@@H](C)O 62a_100000211840_100009817552 [0,1,1,0,0,0|0,1,0]=3 3712 B13R1.149 Cc1cccc(c1)CSC[C@@H](C)O 62a_100009817552_100000211840 [0,1,1,0,0,0|0,1,0]=3 3713 B13R1.149 Cc1cccc(c1)NCCC(C)O 2230a_100000188690_100012276601 [0,1,1,0,0,0|2,0,0]=4 3714 B13R1.149 Cc1cccc(c1)NCCC(C)O 34a_100000188690_100012276601 [0,1,1,0,0,0|2,0,0]=4 3715 B13R1.149 Cc1cccc(c1)OCCC(C)O 34a_100000210337_100012276601 [0,1,1,0,0,0|2,0,0]=4 3716 B13R1.149 Cc1cccc(c1)OCCC(C)O 7a_100000210337_100012276601 [0,1,1,0,0,0|2,0,0]=4 3717 B13R1.149 Cc1cccc(c1)SCCC(C)O 62a_100011215228_100012276601 [0,1,1,0,0,0|2,0,0]=4 3718 B13R1.149 Cc1cccc(c1)SCCC(C)O 62a_100012276601_100011215228 [0,1,1,0,0,0|2,0,0]=4 3719 B13R1.149 Cc1cccc(n1)CNCC(C)O 207a_100000210904_100011215050 [0,1,1,0,0,0|2,0,0]=4 3720 B13R1.149 Cc1cccc(n1)CNCC(C)O 2230a_100000210904_100000757606 [0,1,1,0,0,0|2,0,0]=4 3721 B13R1.149 Cc1cccc(n1)CNCC(C)O 270004a_100000210904_100011215050 [0,1,1,0,0,0|2,0,0]=4 3722 B13R1.149 Cc1cccc(n1)CNCC(C)O 34a_100000210904_100000757606 [0,1,1,0,0,0|2,0,0]=4 3723 B13R1.149 Cc1cccc(n1)CNCC(C)O 34a_100000701342_100011218427 [0,1,1,0,0,0|2,0,0]=4 3724 B13R1.149 Cc1cccc(n1)CNC[C@@H](C)O 34a_100000701342_100009817552 [0,1,1,0,0,0|2,0,0]=4 3725 B13R1.149 Cc1cccc(n1)COCC(C)Br 34a_100012180447_100000757606 [0,1,1,0,0,0|2,0,0]=4 3726 B13R1.149 Cc1cccc(n1)COCC(C)C 34a_100000210257_100000757606 [0,1,1,0,0,0|2,0,0]=4 3727 B13R1.149 Cc1cccc(n1)COCC(C)C 34a_100000690600_100000210624 [0,1,1,0,0,0|2,0,0]=4 3728 B13R1.149 Cc1cccc(n1)COCC(C)F 34a_100015925927_100000757606 [0,1,1,0,0,0|2,0,0]=4 3729 B13R1.149 Cc1cccc(n1)COCC(C)O 34a_100000690600_100011218427 [0,1,1,0,0,0|1,0,0]=3 3730 B13R1.149 Cc1cccc(n1)COC[C@@H](C)Cl 34a_100016084084_100000757606 [0,1,1,0,0,0|2,0,0]=4 3731 B13R1.149 Cc1cccc(n1)COC[C@@H](C)N 34a_100000737577_100000757606 [0,1,1,0,0,0|2,0,0]=4 3732 B13R1.149 Cc1cccc(n1)COC[C@@H](C)O 34a_100000690600_100009817552 [0,1,1,0,0,0|1,0,0]=3 3733 B13R1.149 Cc1cccc(n1)CSCC(C)O 62a_100000757606_100011218427 [0,1,1,0,0,0|1,1,0]=4 3734 B13R1.149 Cc1cccc(n1)CSCC(C)O 62a_100011218427_100000757606 [0,1,1,0,0,0|1,1,0]=4 3735 B13R1.149 Cc1cccc(n1)CSC[C@@H](C)O 62a_100000757606_100009817552 [0,1,1,0,0,0|1,1,0]=4 3736 B13R1.149 Cc1cccc(n1)CSC[C@@H](C)O 62a_100009817552_100000757606 [0,1,1,0,0,0|1,1,0]=4 3737 B13R1.149 Cc1ccnc(c1)CNCC(C)O 207a_100000210904_100011361488 [0,1,1,0,0,0|2,0,0]=4 3738 B13R1.149 Cc1ccnc(c1)CNCC(C)O 2230a_100000210904_100000718516 [0,1,1,0,0,0|2,0,0]=4 3739 B13R1.149 Cc1ccnc(c1)CNCC(C)O 270004a_100000210904_100011361488 [0,1,1,0,0,0|2,0,0]=4 3740 B13R1.149 Cc1ccnc(c1)CNCC(C)O 34a_100000210904_100000718516 [0,1,1,0,0,0|2,0,0]=4 3741 B13R1.149 Cc1ccnc(c1)COCC(C)Br 34a_100012180447_100000718516 [0,1,1,0,0,0|2,0,0]=4 3742 B13R1.149 Cc1ccnc(c1)COCC(C)C 34a_100000210257_100000718516 [0,1,1,0,0,0|2,0,0]=4 3743 B13R1.149 Cc1ccnc(c1)COCC(C)C 34a_100011998357_100000210624 [0,1,1,0,0,0|2,0,0]=4 3744 B13R1.149 Cc1ccnc(c1)COCC(C)F 34a_100015925927_100000718516 [0,1,1,0,0,0|2,0,0]=4 3745 B13R1.149 Cc1ccnc(c1)COCC(C)O 34a_100011998357_100011218427 [0,1,1,0,0,0|1,0,0]=3 3746 B13R1.149 Cc1ccnc(c1)COC[C@@H](C)Cl 34a_100016084084_100000718516 [0,1,1,0,0,0|2,0,0]=4 3747 B13R1.149 Cc1ccnc(c1)COC[C@@H](C)N 34a_100000737577_100000718516 [0,1,1,0,0,0|2,0,0]=4 3748 B13R1.149 Cc1ccnc(c1)COC[C@@H](C)O 34a_100011998357_100009817552 [0,1,1,0,0,0|1,0,0]=3 3749 B13R1.149 Cc1ccnc(c1)CSCC(C)O 62a_100000718516_100011218427 [0,1,1,0,0,0|1,1,0]=4 3750 B13R1.149 Cc1ccnc(c1)CSCC(C)O 62a_100011218427_100000718516 [0,1,1,0,0,0|1,1,0]=4 3751 B13R1.149 Cc1ccnc(c1)CSC[C@@H](C)O 62a_100000718516_100009817552 [0,1,1,0,0,0|1,1,0]=4 3752 B13R1.149 Cc1ccnc(c1)CSC[C@@H](C)O 62a_100009817552_100000718516 [0,1,1,0,0,0|1,1,0]=4 3753 B13R1.149 Cc1cncc(c1)CNCC(C)O 207a_100000210904_100011998712 [0,1,1,0,0,0|2,0,0]=4 3754 B13R1.149 Cc1cncc(c1)CNCC(C)O 2230a_100000210904_100000716715 [0,1,1,0,0,0|2,0,0]=4 3755 B13R1.149 Cc1cncc(c1)CNCC(C)O 2230a_100000692839_100011218427 [0,1,1,0,0,0|2,0,0]=4 3756 B13R1.149 Cc1cncc(c1)CNCC(C)O 270004a_100000210904_100011998712 [0,1,1,0,0,0|2,0,0]=4 3757 B13R1.149 Cc1cncc(c1)CNCC(C)O 34a_100000210904_100000716715 [0,1,1,0,0,0|2,0,0]=4 3758 B13R1.149 Cc1cncc(c1)CNCC(C)O 34a_100000692839_100011218427 [0,1,1,0,0,0|2,0,0]=4 3759 B13R1.149 Cc1cncc(c1)CNC[C@@H](C)O 2230a_100000692839_100009817552 [0,1,1,0,0,0|2,0,0]=4 3760 B13R1.149 Cc1cncc(c1)CNC[C@@H](C)O 34a_100000692839_100009817552 [0,1,1,0,0,0|2,0,0]=4 3761 B13R1.149 Cc1cncc(c1)COCC(C)Br 34a_100012180447_100000716715 [0,1,1,0,0,0|2,0,0]=4 3762 B13R1.149 Cc1cncc(c1)COCC(C)C 34a_100000210257_100000716715 [0,1,1,0,0,0|2,0,0]=4 3763 B13R1.149 Cc1cncc(c1)COCC(C)C 34a_100011998709_100000210624 [0,1,1,0,0,0|2,0,0]=4 3764 B13R1.149 Cc1cncc(c1)COCC(C)C 7a_100011998709_100000210760 [0,1,1,0,0,0|2,0,0]=4 3765 B13R1.149 Cc1cncc(c1)COCC(C)F 34a_100015925927_100000716715 [0,1,1,0,0,0|2,0,0]=4 3766 B13R1.149 Cc1cncc(c1)COCC(C)O 34a_100011998709_100011218427 [0,1,1,0,0,0|1,0,0]=3 3767 B13R1.149 Cc1cncc(c1)COCC(C)O 7a_100011998709_100011218427 [0,1,1,0,0,0|1,0,0]=3 3768 B13R1.149 Cc1cncc(c1)COC[C@@H](C)Cl 34a_100016084084_100000716715 [0,1,1,0,0,0|2,0,0]=4 3769 B13R1.149 Cc1cncc(c1)COC[C@@H](C)N 34a_100000737577_100000716715 [0,1,1,0,0,0|2,0,0]=4 3770 B13R1.149 Cc1cncc(c1)COC[C@@H](C)O 34a_100011998709_100009817552 [0,1,1,0,0,0|1,0,0]=3 3771 B13R1.149 Cc1cncc(c1)COC[C@@H](C)O 7a_100011998709_100009817552 [0,1,1,0,0,0|1,0,0]=3 3772 B13R1.149 Cc1cncc(c1)CSCC(C)O 62a_100000716715_100011218427 [0,1,1,0,0,0|1,1,0]=4 3773 B13R1.149 Cc1cncc(c1)CSCC(C)O 62a_100011218427_100000716715 [0,1,1,0,0,0|1,1,0]=4 3774 B13R1.149 Cc1cncc(c1)CSC[C@@H](C)O 62a_100000716715_100009817552 [0,1,1,0,0,0|1,1,0]=4 3775 B13R1.149 Cc1cncc(c1)CSC[C@@H](C)O 62a_100009817552_100000716715 [0,1,1,0,0,0|1,1,0]=4 3776 B13R1.149 Cc1cnnc(c1)COCC(C)O 34a_100016212594_100011218427 [0,1,1,0,0,0|2,0,0]=4 3777 B13R1.149 Cc1cnnc(c1)COC[C@@H](C)O 34a_100016212594_100009817552 [0,1,1,0,0,0|2,0,0]=4 3778 B13R1.149 FC(F)COCc1cccc(c1)Br 34a_100000687537_100011934356 [0,1,1,0,0,0|2,0,0]=4 3779 B13R1.149 FC(F)COCc1cccc(c1)Br 34a_100000743014_100000698116 [0,1,1,0,0,0|2,0,0]=4 3780 B13R1.149 FC(F)COCc1cccc(c1)Br 7a_100000687537_100011934356 [0,1,1,0,0,0|2,0,0]=4 3781 B13R1.149 FC(F)COCc1cccc(c1)Cl 34a_100000241301_100011934356 [0,1,1,0,0,0|2,0,0]=4 3782 B13R1.149 FC(F)COCc1cccc(c1)Cl 34a_100000743014_100000187163 [0,1,1,0,0,0|2,0,0]=4 3783 B13R1.149 FC(F)COCc1cccc(c1)Cl 7a_100000241301_100011934356 [0,1,1,0,0,0|2,0,0]=4 3784 B13R1.149 FC(F)COCc1cccc(c1)I 34a_100000743014_100011218688 [0,1,1,0,0,0|2,0,0]=4 3785 B13R1.149 FC(F)COCc1cccc(c1)I 34a_100011215336_100011934356 [0,1,1,0,0,0|2,0,0]=4 3786 B13R1.149 FC(F)COCc1cccc(c1)I 7a_100011215336_100011934356 [0,1,1,0,0,0|2,0,0]=4 3787 B13R1.149 Fc1cccc(c1)COCC(F)F 34a_100000210976_100011934356 [0,1,1,0,0,0|2,0,0]=4 3788 B13R1.149 Fc1cccc(c1)COCC(F)F 34a_100000743014_100000187166 [0,1,1,0,0,0|2,0,0]=4 3789 B13R1.149 Fc1cccc(c1)COCC(F)F 7a_100000210976_100011934356 [0,1,1,0,0,0|2,0,0]=4 3790 B13R1.149 Nc1cccc(c1)COCC(F)F 34a_100000211919_100011934356 [0,1,1,0,0,0|2,0,0]=4 3791 B13R1.149 Oc1cccc(c1)COCC(F)F 34a_100000743014_100011660834 [0,1,1,0,0,0|2,0,0]=4 3792 B13R1.158 C=C(C)COCc1ccccc1Br 34a_100000210245_100000184730 [0,1,1,0,0,0|1,0,1]=4 3793 B13R1.158 C=C(C)COCc1ccccc1Br 34a_100000756307_100000748629 [0,1,1,0,0,0|1,0,1]=4 3794 B13R1.158 C=C(C)COCc1ccccc1Br 7a_100000756307_100000748629 [0,1,1,0,0,0|1,0,1]=4 3795 B13R1.158 C=C(C)COCc1ccccc1C 34a_100000210245_100000211839 [0,1,1,0,0,0|1,0,1]=4 3796 B13R1.158 C=C(C)COCc1ccccc1C 34a_100000698903_100000748629 [0,1,1,0,0,0|1,0,1]=4 3797 B13R1.158 C=C(C)COCc1ccccc1C 7a_100000698903_100000748629 [0,1,1,0,0,0|1,0,1]=4 3798 B13R1.158 C=C(C)COCc1ccccc1Cl 34a_100000210245_100000187162 [0,1,1,0,0,0|1,0,1]=4 3799 B13R1.158 C=C(C)COCc1ccccc1Cl 34a_100000210847_100000748629 [0,1,1,0,0,0|1,0,1]=4 3800 B13R1.158 C=C(C)COCc1ccccc1Cl 7a_100000210847_100000748629 [0,1,1,0,0,0|1,0,1]=4 3801 B13R1.158 C=C(C)COCc1ccccc1F 34a_100000210245_100000211605 [0,1,1,0,0,0|1,0,1]=4 3802 B13R1.158 C=C(C)COCc1ccccc1F 34a_100000211962_100000748629 [0,1,1,0,0,0|1,0,1]=4 3803 B13R1.158 C=C(C)COCc1ccccc1F 7a_100000211962_100000748629 [0,1,1,0,0,0|1,0,1]=4 3804 B13R1.158 C=C(C)COCc1ccccc1I 34a_100000187465_100000748629 [0,1,1,0,0,0|1,0,1]=4 3805 B13R1.158 C=C(C)COCc1ccccc1I 34a_100000210245_100011215278 [0,1,1,0,0,0|1,0,1]=4 3806 B13R1.158 C=C(C)COCc1ccccc1I 7a_100000187465_100000748629 [0,1,1,0,0,0|1,0,1]=4 3807 B13R1.158 C=C(C)COCc1ccccc1N 34a_100000212039_100000748629 [0,1,1,0,0,0|1,0,1]=4 3808 B13R1.158 CC(=O)COCc1ccccc1Br 34a_100000211253_100000184730 [0,1,1,0,0,0|0,0,2]=4 3809 B13R1.158 CC(=O)COCc1ccccc1C 34a_100000211253_100000211839 [0,1,1,0,0,0|0,0,2]=4 3810 B13R1.158 CC(=O)COCc1ccccc1Cl 34a_100000211253_100000187162 [0,1,1,0,0,0|0,0,2]=4 3811 B13R1.158 CC(=O)COCc1ccccc1F 34a_100000211253_100000211605 [0,1,1,0,0,0|0,0,2]=4 3812 B13R1.158 CC(=O)COCc1ccccc1I 34a_100000211253_100011215278 [0,1,1,0,0,0|0,0,2]=4 3813 B13R1.158 CC(Br)COCc1ccccc1Br 34a_100012180447_100000184730 [0,1,1,0,0,0|1,0,0]=3 3814 B13R1.158 CC(Br)COCc1ccccc1Cl 34a_100012180447_100000187162 [0,1,1,0,0,0|1,0,0]=3 3815 B13R1.158 CC(Br)COCc1ccccc1F 34a_100012180447_100000211605 [0,1,1,0,0,0|1,0,0]=3 3816 B13R1.158 CC(Br)COCc1ccccc1I 34a_100012180447_100011215278 [0,1,1,0,0,0|1,0,0]=3 3817 B13R1.158 CC(Br)COCc1cccnc1Br 34a_100012180447_100010140945 [0,1,1,0,0,0|2,0,0]=4 3818 B13R1.158 CC(Br)COCc1cccnc1Cl 34a_100012180447_100000045678 [0,1,1,0,0,0|2,0,0]=4 3819 B13R1.158 CC(Br)COCc1cccnc1F 34a_100012180447_100000099810 [0,1,1,0,0,0|2,0,0]=4 3820 B13R1.158 CC(Br)COCc1ncccc1Br 34a_100012180447_100025702911 [0,1,1,0,0,0|2,0,0]=4 3821 B13R1.158 CC(Br)COCc1ncccc1F 34a_100012180447_100000104219 [0,1,1,0,0,0|2,0,0]=4 3822 B13R1.158 CC(Br)COCc1ncccc1O 34a_100012180447_200020655725 [0,1,1,0,0,0|2,0,0]=4 3823 B13R1.158 CC(C)CNCc1ccccc1Br 207a_100000210953_100000211189 [0,1,1,0,0,0|2,0,0]=4 3824 B13R1.158 CC(C)CNCc1ccccc1Br 2230a_100000210953_100000184730 [0,1,1,0,0,0|2,0,0]=4 3825 B13R1.158 CC(C)CNCc1ccccc1Br 2230a_100000689332_100000210760 [0,1,1,0,0,0|2,0,0]=4 3826 B13R1.158 CC(C)CNCc1ccccc1Br 26a_100000210953_100000181306 [0,1,1,0,0,0|2,0,0]=4 3827 B13R1.158 CC(C)CNCc1ccccc1Br 270004a_100000210953_100000211189 [0,1,1,0,0,0|2,0,0]=4 3828 B13R1.158 CC(C)CNCc1ccccc1Br 270004a_100000689332_100000210432 [0,1,1,0,0,0|2,0,0]=4 3829 B13R1.158 CC(C)CNCc1ccccc1Br 34a_100000210953_100000184730 [0,1,1,0,0,0|2,0,0]=4 3830 B13R1.158 CC(C)CNCc1ccccc1Br 34a_100000689332_100000210624 [0,1,1,0,0,0|2,0,0]=4 3831 B13R1.158 CC(C)CNCc1ccccc1Cl 207a_100000210953_100000210073 [0,1,1,0,0,0|2,0,0]=4 3832 B13R1.158 CC(C)CNCc1ccccc1Cl 2230a_100000174879_100000210760 [0,1,1,0,0,0|2,0,0]=4 3833 B13R1.158 CC(C)CNCc1ccccc1Cl 2230a_100000210953_100000187162 [0,1,1,0,0,0|2,0,0]=4 3834 B13R1.158 CC(C)CNCc1ccccc1Cl 26a_100000210953_100000210172 [0,1,1,0,0,0|2,0,0]=4 3835 B13R1.158 CC(C)CNCc1ccccc1Cl 270004a_100000174879_100000210432 [0,1,1,0,0,0|2,0,0]=4 3836 B13R1.158 CC(C)CNCc1ccccc1Cl 270004a_100000210953_100000210073 [0,1,1,0,0,0|2,0,0]=4 3837 B13R1.158 CC(C)CNCc1ccccc1Cl 34a_100000174879_100000210624 [0,1,1,0,0,0|2,0,0]=4 3838 B13R1.158 CC(C)CNCc1ccccc1Cl 34a_100000210953_100000187162 [0,1,1,0,0,0|2,0,0]=4 3839 B13R1.158 CC(C)CNCc1ccccc1F 207a_100000210953_100000210811 [0,1,1,0,0,0|2,0,0]=4 3840 B13R1.158 CC(C)CNCc1ccccc1F 2230a_100000210953_100000211605 [0,1,1,0,0,0|2,0,0]=4 3841 B13R1.158 CC(C)CNCc1ccccc1F 270004a_100000174869_100000210432 [0,1,1,0,0,0|2,0,0]=4 3842 B13R1.158 CC(C)CNCc1ccccc1F 270004a_100000210953_100000210811 [0,1,1,0,0,0|2,0,0]=4 3843 B13R1.158 CC(C)CNCc1ccccc1F 34a_100000174869_100000210624 [0,1,1,0,0,0|2,0,0]=4 3844 B13R1.158 CC(C)CNCc1ccccc1F 34a_100000210953_100000211605 [0,1,1,0,0,0|2,0,0]=4 3845 B13R1.158 CC(C)CNCc1ccccc1I 207a_100000210953_100000010305 [0,1,1,0,0,0|2,0,0]=4 3846 B13R1.158 CC(C)CNCc1ccccc1I 2230a_100000210953_100011215278 [0,1,1,0,0,0|2,0,0]=4 3847 B13R1.158 CC(C)CNCc1ccccc1I 270004a_100000210953_100000010305 [0,1,1,0,0,0|2,0,0]=4 3848 B13R1.158 CC(C)CNCc1ccccc1I 270004a_100015347259_100000210432 [0,1,1,0,0,0|2,0,0]=4 3849 B13R1.158 CC(C)CNCc1ccccc1I 34a_100000210953_100011215278 [0,1,1,0,0,0|2,0,0]=4 3850 B13R1.158 CC(C)CNCc1ccccc1O 270004a_100000185550_100000210432 [0,1,1,0,0,0|2,0,0]=4 3851 B13R1.158 CC(C)CNCc1ccccc1O 34a_100000185550_100000210624 [0,1,1,0,0,0|2,0,0]=4 3852 B13R1.158 CC(C)COCc1ccccc1Br 34a_100000210257_100000184730 [0,1,1,0,0,0|1,0,0]=3 3853 B13R1.158 CC(C)COCc1ccccc1Br 34a_100000756307_100000210624 [0,1,1,0,0,0|1,0,0]=3 3854 B13R1.158 CC(C)COCc1ccccc1Br 7a_100000756307_100000210760 [0,1,1,0,0,0|1,0,0]=3 3855 B13R1.158 CC(C)COCc1ccccc1Cl 34a_100000210257_100000187162 [0,1,1,0,0,0|1,0,0]=3 3856 B13R1.158 CC(C)COCc1ccccc1Cl 34a_100000210847_100000210624 [0,1,1,0,0,0|1,0,0]=3 3857 B13R1.158 CC(C)COCc1ccccc1Cl 7a_100000210847_100000210760 [0,1,1,0,0,0|1,0,0]=3 3858 B13R1.158 CC(C)COCc1ccccc1F 34a_100000210257_100000211605 [0,1,1,0,0,0|1,0,0]=3 3859 B13R1.158 CC(C)COCc1ccccc1F 34a_100000211962_100000210624 [0,1,1,0,0,0|1,0,0]=3 3860 B13R1.158 CC(C)COCc1ccccc1F 7a_100000211962_100000210760 [0,1,1,0,0,0|1,0,0]=3 3861 B13R1.158 CC(C)COCc1ccccc1I 34a_100000187465_100000210624 [0,1,1,0,0,0|1,0,0]=3 3862 B13R1.158 CC(C)COCc1ccccc1I 34a_100000210257_100011215278 [0,1,1,0,0,0|1,0,0]=3 3863 B13R1.158 CC(C)COCc1ccccc1I 7a_100000187465_100000210760 [0,1,1,0,0,0|1,0,0]=3 3864 B13R1.158 CC(C)COCc1ccccc1N 34a_100000212039_100000210624 [0,1,1,0,0,0|1,0,0]=3 3865 B13R1.158 CC(C)COCc1cccnc1Br 34a_100000210257_100010140945 [0,1,1,0,0,0|2,0,0]=4 3866 B13R1.158 CC(C)COCc1cccnc1Br 34a_100000719692_100000210624 [0,1,1,0,0,0|2,0,0]=4 3867 B13R1.158 CC(C)COCc1cccnc1Br 7a_100000719692_100000210760 [0,1,1,0,0,0|2,0,0]=4 3868 B13R1.158 CC(C)COCc1cccnc1Cl 34a_100000210257_100000045678 [0,1,1,0,0,0|2,0,0]=4 3869 B13R1.158 CC(C)COCc1cccnc1Cl 34a_100000748726_100000210624 [0,1,1,0,0,0|2,0,0]=4 3870 B13R1.158 CC(C)COCc1cccnc1Cl 7a_100000748726_100000210760 [0,1,1,0,0,0|2,0,0]=4 3871 B13R1.158 CC(C)COCc1cccnc1F 34a_100000079888_100000210624 [0,1,1,0,0,0|2,0,0]=4 3872 B13R1.158 CC(C)COCc1cccnc1F 34a_100000210257_100000099810 [0,1,1,0,0,0|2,0,0]=4 3873 B13R1.158 CC(C)COCc1cccnc1F 7a_100000079888_100000210760 [0,1,1,0,0,0|2,0,0]=4 3874 B13R1.158 CC(C)COCc1ccncc1F 34a_100012172863_100000210624 [0,1,1,0,0,0|2,0,0]=4 3875 B13R1.158 CC(C)COCc1cnccc1Cl 34a_100000117392_100000210624 [0,1,1,0,0,0|2,0,0]=4 3876 B13R1.158 CC(C)COCc1ncccc1Br 34a_100000210257_100025702911 [0,1,1,0,0,0|2,0,0]=4 3877 B13R1.158 CC(C)COCc1ncccc1Br 34a_100011996772_100000210624 [0,1,1,0,0,0|2,0,0]=4 3878 B13R1.158 CC(C)COCc1ncccc1Cl 34a_100012002383_100000210624 [0,1,1,0,0,0|2,0,0]=4 3879 B13R1.158 CC(C)COCc1ncccc1F 34a_100000210257_100000104219 [0,1,1,0,0,0|2,0,0]=4 3880 B13R1.158 CC(C)COCc1ncccc1F 34a_100011934865_100000210624 [0,1,1,0,0,0|2,0,0]=4 3881 B13R1.158 CC(C)COCc1ncccc1N 34a_114873767017_100000210624 [0,1,1,0,0,0|2,0,0]=4 3882 B13R1.158 CC(C)COCc1ncccc1O 34a_100000210257_200020655725 [0,1,1,0,0,0|2,0,0]=4 3883 B13R1.158 CC(C)CSCc1ccccc1Br 62a_100000184730_100000210760 [0,1,1,0,0,0|1,1,0]=4 3884 B13R1.158 CC(C)CSCc1ccccc1Br 62a_100000210624_100000184730 [0,1,1,0,0,0|1,1,0]=4 3885 B13R1.158 CC(C)CSCc1ccccc1Cl 62a_100000187162_100000210760 [0,1,1,0,0,0|1,1,0]=4 3886 B13R1.158 CC(C)CSCc1ccccc1Cl 62a_100000210624_100000187162 [0,1,1,0,0,0|1,1,0]=4 3887 B13R1.158 CC(C)CSCc1ccccc1F 62a_100000210624_100000211605 [0,1,1,0,0,0|1,1,0]=4 3888 B13R1.158 CC(C)CSCc1ccccc1F 62a_100000211605_100000210760 [0,1,1,0,0,0|1,1,0]=4 3889 B13R1.158 CC(C)CSCc1ccccc1I 62a_100000210624_100011216222 [0,1,1,0,0,0|1,1,0]=4 3890 B13R1.158 CC(C)CSCc1ccccc1I 62a_100011216222_100000210760 [0,1,1,0,0,0|1,1,0]=4 3891 B13R1.158 CC(F)COCc1ccccc1Br 34a_100015925927_100000184730 [0,1,1,0,0,0|1,0,0]=3 3892 B13R1.158 CC(F)COCc1ccccc1Cl 34a_100015925927_100000187162 [0,1,1,0,0,0|1,0,0]=3 3893 B13R1.158 CC(F)COCc1ccccc1F 34a_100015925927_100000211605 [0,1,1,0,0,0|1,0,0]=3 3894 B13R1.158 CC(F)COCc1ccccc1I 34a_100015925927_100011215278 [0,1,1,0,0,0|1,0,0]=3 3895 B13R1.158 CC(F)COCc1cccnc1Br 34a_100015925927_100010140945 [0,1,1,0,0,0|2,0,0]=4 3896 B13R1.158 CC(F)COCc1cccnc1Cl 34a_100015925927_100000045678 [0,1,1,0,0,0|2,0,0]=4 3897 B13R1.158 CC(F)COCc1cccnc1F 34a_100015925927_100000099810 [0,1,1,0,0,0|2,0,0]=4 3898 B13R1.158 CC(F)COCc1ncccc1Br 34a_100015925927_100025702911 [0,1,1,0,0,0|2,0,0]=4 3899 B13R1.158 CC(F)COCc1ncccc1F 34a_100015925927_100000104219 [0,1,1,0,0,0|2,0,0]=4 3900 B13R1.158 CC(F)COCc1ncccc1O 34a_100015925927_200020655725 [0,1,1,0,0,0|2,0,0]=4 3901 B13R1.158 CC(O)CCNc1ccccc1Br 34a_100000210017_100012276601 [0,1,1,0,0,0|2,0,0]=4 3902 B13R1.158 CC(O)CCNc1ccccc1Cl 34a_100000185783_100012276601 [0,1,1,0,0,0|2,0,0]=4 3903 B13R1.158 CC(O)CCNc1ccccc1F 34a_100000210422_100012276601 [0,1,1,0,0,0|2,0,0]=4 3904 B13R1.158 CC(O)CCNc1ccccc1I 34a_100000210053_100012276601 [0,1,1,0,0,0|2,0,0]=4 3905 B13R1.158 CC(O)CCNc1ccccc1O 34a_100000185747_100012276601 [0,1,1,0,0,0|2,0,0]=4 3906 B13R1.158 CC(O)CCOc1ccccc1Br 34a_100000181306_100012276601 [0,1,1,0,0,0|2,0,0]=4 3907 B13R1.158 CC(O)CCOc1ccccc1Br 7a_100000181306_100012276601 [0,1,1,0,0,0|2,0,0]=4 3908 B13R1.158 CC(O)CCOc1ccccc1Cl 34a_100000210172_100012276601 [0,1,1,0,0,0|2,0,0]=4 3909 B13R1.158 CC(O)CCOc1ccccc1Cl 7a_100000210172_100012276601 [0,1,1,0,0,0|2,0,0]=4 3910 B13R1.158 CC(O)CCOc1ccccc1F 34a_100000210171_100012276601 [0,1,1,0,0,0|2,0,0]=4 3911 B13R1.158 CC(O)CCOc1ccccc1F 7a_100000210171_100012276601 [0,1,1,0,0,0|2,0,0]=4 3912 B13R1.158 CC(O)CCOc1ccccc1I 34a_100000739446_100012276601 [0,1,1,0,0,0|2,0,0]=4 3913 B13R1.158 CC(O)CCOc1ccccc1I 7a_100000739446_100012276601 [0,1,1,0,0,0|2,0,0]=4 3914 B13R1.158 CC(O)CCOc1ccccc1N 34a_100000185747_100012276601 [0,1,1,0,0,0|2,0,0]=4 3915 B13R1.158 CC(O)CCOc1ccccc1N 7a_100000185747_100012276601 [0,1,1,0,0,0|2,0,0]=4 3916 B13R1.158 CC(O)CCSc1ccccc1Br 62a_100000695589_100012276601 [0,1,1,0,0,0|2,0,0]=4 3917 B13R1.158 CC(O)CCSc1ccccc1Br 62a_100012276601_100000695589 [0,1,1,0,0,0|2,0,0]=4 3918 B13R1.158 CC(O)CCSc1ccccc1Cl 62a_100000764095_100012276601 [0,1,1,0,0,0|2,0,0]=4 3919 B13R1.158 CC(O)CCSc1ccccc1Cl 62a_100012276601_100000764095 [0,1,1,0,0,0|2,0,0]=4 3920 B13R1.158 CC(O)CCSc1ccccc1F 62a_100011215700_100012276601 [0,1,1,0,0,0|2,0,0]=4 3921 B13R1.158 CC(O)CCSc1ccccc1F 62a_100012276601_100011215700 [0,1,1,0,0,0|2,0,0]=4 3922 B13R1.158 CC(O)CCSc1ccccc1N 62a_100000210017_100012276601 [0,1,1,0,0,0|2,0,0]=4 3923 B13R1.158 CC(O)CCSc1ccccc1N 62a_100012276601_100000210017 [0,1,1,0,0,0|2,0,0]=4 3924 B13R1.158 CC(O)CCSc1ccccc1O 62a_100000739446_100012276601 [0,1,1,0,0,0|2,0,0]=4 3925 B13R1.158 CC(O)CCSc1ccccc1O 62a_100012276601_100000739446 [0,1,1,0,0,0|2,0,0]=4 3926 B13R1.158 CC(O)CNCc1ccccc1Br 207a_100000210904_100000211189 [0,1,1,0,0,0|1,0,0]=3 3927 B13R1.158 CC(O)CNCc1ccccc1Br 2230a_100000210904_100000184730 [0,1,1,0,0,0|1,0,0]=3 3928 B13R1.158 CC(O)CNCc1ccccc1Br 2230a_100000689332_100011218427 [0,1,1,0,0,0|1,0,0]=3 3929 B13R1.158 CC(O)CNCc1ccccc1Br 270004a_100000210904_100000211189 [0,1,1,0,0,0|1,0,0]=3 3930 B13R1.158 CC(O)CNCc1ccccc1Br 34a_100000210904_100000184730 [0,1,1,0,0,0|1,0,0]=3 3931 B13R1.158 CC(O)CNCc1ccccc1Br 34a_100000689332_100011218427 [0,1,1,0,0,0|1,0,0]=3 3932 B13R1.158 CC(O)CNCc1ccccc1Cl 207a_100000210904_100000210073 [0,1,1,0,0,0|1,0,0]=3 3933 B13R1.158 CC(O)CNCc1ccccc1Cl 2230a_100000174879_100011218427 [0,1,1,0,0,0|1,0,0]=3 3934 B13R1.158 CC(O)CNCc1ccccc1Cl 2230a_100000210904_100000187162 [0,1,1,0,0,0|1,0,0]=3 3935 B13R1.158 CC(O)CNCc1ccccc1Cl 270004a_100000210904_100000210073 [0,1,1,0,0,0|1,0,0]=3 3936 B13R1.158 CC(O)CNCc1ccccc1Cl 34a_100000174879_100011218427 [0,1,1,0,0,0|1,0,0]=3 3937 B13R1.158 CC(O)CNCc1ccccc1Cl 34a_100000210904_100000187162 [0,1,1,0,0,0|1,0,0]=3 3938 B13R1.158 CC(O)CNCc1ccccc1F 207a_100000210904_100000210811 [0,1,1,0,0,0|1,0,0]=3 3939 B13R1.158 CC(O)CNCc1ccccc1F 2230a_100000210904_100000211605 [0,1,1,0,0,0|1,0,0]=3 3940 B13R1.158 CC(O)CNCc1ccccc1F 270004a_100000210904_100000210811 [0,1,1,0,0,0|1,0,0]=3 3941 B13R1.158 CC(O)CNCc1ccccc1F 34a_100000174869_100011218427 [0,1,1,0,0,0|1,0,0]=3 3942 B13R1.158 CC(O)CNCc1ccccc1F 34a_100000210904_100000211605 [0,1,1,0,0,0|1,0,0]=3 3943 B13R1.158 CC(O)CNCc1ccccc1I 207a_100000210904_100000010305 [0,1,1,0,0,0|1,0,0]=3 3944 B13R1.158 CC(O)CNCc1ccccc1I 2230a_100000210904_100011215278 [0,1,1,0,0,0|1,0,0]=3 3945 B13R1.158 CC(O)CNCc1ccccc1I 270004a_100000210904_100000010305 [0,1,1,0,0,0|1,0,0]=3 3946 B13R1.158 CC(O)CNCc1ccccc1I 34a_100000210904_100011215278 [0,1,1,0,0,0|1,0,0]=3 3947 B13R1.158 CC(O)CNCc1ccccc1O 34a_100000185550_100011218427 [0,1,1,0,0,0|1,0,0]=3 3948 B13R1.158 CC(O)CNCc1cccnc1Br 2230a_100000210904_100010140945 [0,1,1,0,0,0|2,0,0]=4 3949 B13R1.158 CC(O)CNCc1cccnc1Br 2230a_100009818023_100011218427 [0,1,1,0,0,0|2,0,0]=4 3950 B13R1.158 CC(O)CNCc1cccnc1Br 34a_100000210904_100010140945 [0,1,1,0,0,0|2,0,0]=4 3951 B13R1.158 CC(O)CNCc1cccnc1Br 34a_100009818023_100011218427 [0,1,1,0,0,0|2,0,0]=4 3952 B13R1.158 CC(O)CNCc1cccnc1Cl 2230a_100000210904_100000045678 [0,1,1,0,0,0|2,0,0]=4 3953 B13R1.158 CC(O)CNCc1cccnc1Cl 2230a_100015189234_100011218427 [0,1,1,0,0,0|2,0,0]=4 3954 B13R1.158 CC(O)CNCc1cccnc1Cl 34a_100000210904_100000045678 [0,1,1,0,0,0|2,0,0]=4 3955 B13R1.158 CC(O)CNCc1cccnc1Cl 34a_100015189234_100011218427 [0,1,1,0,0,0|2,0,0]=4 3956 B13R1.158 CC(O)CNCc1cccnc1F 2230a_100000210904_100000099810 [0,1,1,0,0,0|2,0,0]=4 3957 B13R1.158 CC(O)CNCc1cccnc1F 34a_100000210904_100000099810 [0,1,1,0,0,0|2,0,0]=4 3958 B13R1.158 CC(O)CNCc1cccnc1F 34a_100000724633_100011218427 [0,1,1,0,0,0|2,0,0]=4 3959 B13R1.158 CC(O)CNCc1cccnc1O 207a_100000210904_100011998315 [0,1,1,0,0,0|2,0,0]=4 3960 B13R1.158 CC(O)CNCc1cccnc1O 270004a_100000210904_100011998315 [0,1,1,0,0,0|2,0,0]=4 3961 B13R1.158 CC(O)CNCc1ccncc1Br 270004a_100000210904_100000755692 [0,1,1,0,0,0|2,0,0]=4 3962 B13R1.158 CC(O)CNCc1ccncc1Cl 207a_100000210904_100011934409 [0,1,1,0,0,0|2,0,0]=4 3963 B13R1.158 CC(O)CNCc1ccncc1Cl 2230a_100000210904_100000763264 [0,1,1,0,0,0|2,0,0]=4 3964 B13R1.158 CC(O)CNCc1ccncc1Cl 270004a_100000210904_100011934409 [0,1,1,0,0,0|2,0,0]=4 3965 B13R1.158 CC(O)CNCc1ccncc1F 34a_100011935246_100011218427 [0,1,1,0,0,0|2,0,0]=4 3966 B13R1.158 CC(O)CNCc1cnccc1Br 270004a_100000210904_100009816821 [0,1,1,0,0,0|2,0,0]=4 3967 B13R1.158 CC(O)CNCc1cnccc1Cl 270004a_100000210904_100000050567 [0,1,1,0,0,0|2,0,0]=4 3968 B13R1.158 CC(O)CNCc1ncccc1Br 207a_100000210904_100011934733 [0,1,1,0,0,0|2,0,0]=4 3969 B13R1.158 CC(O)CNCc1ncccc1Br 2230a_100000210904_100025702911 [0,1,1,0,0,0|2,0,0]=4 3970 B13R1.158 CC(O)CNCc1ncccc1Br 270004a_100000210904_100011934733 [0,1,1,0,0,0|2,0,0]=4 3971 B13R1.158 CC(O)CNCc1ncccc1Br 34a_100000210904_100025702911 [0,1,1,0,0,0|2,0,0]=4 3972 B13R1.158 CC(O)CNCc1ncccc1Cl 207a_100000210904_100012001307 [0,1,1,0,0,0|2,0,0]=4 3973 B13R1.158 CC(O)CNCc1ncccc1Cl 2230a_100000210904_100000099807 [0,1,1,0,0,0|2,0,0]=4 3974 B13R1.158 CC(O)CNCc1ncccc1Cl 2230a_100015189233_100011218427 [0,1,1,0,0,0|2,0,0]=4 3975 B13R1.158 CC(O)CNCc1ncccc1Cl 270004a_100000210904_100012001307 [0,1,1,0,0,0|2,0,0]=4 3976 B13R1.158 CC(O)CNCc1ncccc1F 207a_100000210904_100011934734 [0,1,1,0,0,0|2,0,0]=4 3977 B13R1.158 CC(O)CNCc1ncccc1F 2230a_100000210904_100000104219 [0,1,1,0,0,0|2,0,0]=4 3978 B13R1.158 CC(O)CNCc1ncccc1F 270004a_100000210904_100011934734 [0,1,1,0,0,0|2,0,0]=4 3979 B13R1.158 CC(O)CNCc1ncccc1F 34a_100000210904_100000104219 [0,1,1,0,0,0|2,0,0]=4 3980 B13R1.158 CC(O)CNCc1ncccc1F 34a_100000690088_100011218427 [0,1,1,0,0,0|2,0,0]=4 3981 B13R1.158 CC(O)CNCc1ncccc1O 34a_100000210904_200020655725 [0,1,1,0,0,0|2,0,0]=4 3982 B13R1.158 CC(O)COCc1ccccc1Br 34a_100000756307_100011218427 [0,1,1,0,0,0|0,0,0]=2 3983 B13R1.158 CC(O)COCc1ccccc1Br 7a_100000756307_100011218427 [0,1,1,0,0,0|0,0,0]=2 3984 B13R1.158 CC(O)COCc1ccccc1Cl 34a_100000210847_100011218427 [0,1,1,0,0,0|0,0,0]=2 3985 B13R1.158 CC(O)COCc1ccccc1Cl 7a_100000210847_100011218427 [0,1,1,0,0,0|0,0,0]=2 3986 B13R1.158 CC(O)COCc1ccccc1F 34a_100000211962_100011218427 [0,1,1,0,0,0|0,0,0]=2 3987 B13R1.158 CC(O)COCc1ccccc1F 7a_100000211962_100011218427 [0,1,1,0,0,0|0,0,0]=2 3988 B13R1.158 CC(O)COCc1ccccc1I 34a_100000187465_100011218427 [0,1,1,0,0,0|0,0,0]=2 3989 B13R1.158 CC(O)COCc1ccccc1I 7a_100000187465_100011218427 [0,1,1,0,0,0|0,0,0]=2 3990 B13R1.158 CC(O)COCc1ccccc1N 34a_100000212039_100011218427 [0,1,1,0,0,0|0,0,0]=2 3991 B13R1.158 CC(O)COCc1cccnc1Br 34a_100000719692_100011218427 [0,1,1,0,0,0|1,0,0]=3 3992 B13R1.158 CC(O)COCc1cccnc1Br 7a_100000719692_100011218427 [0,1,1,0,0,0|1,0,0]=3 3993 B13R1.158 CC(O)COCc1cccnc1Cl 34a_100000748726_100011218427 [0,1,1,0,0,0|1,0,0]=3 3994 B13R1.158 CC(O)COCc1cccnc1Cl 7a_100000748726_100011218427 [0,1,1,0,0,0|1,0,0]=3 3995 B13R1.158 CC(O)COCc1cccnc1F 34a_100000079888_100011218427 [0,1,1,0,0,0|1,0,0]=3 3996 B13R1.158 CC(O)COCc1cccnc1F 7a_100000079888_100011218427 [0,1,1,0,0,0|1,0,0]=3 3997 B13R1.158 CC(O)COCc1ccncc1F 34a_100012172863_100011218427 [0,1,1,0,0,0|1,0,0]=3 3998 B13R1.158 CC(O)COCc1cnccc1Cl 34a_100000117392_100011218427 [0,1,1,0,0,0|1,0,0]=3 3999 B13R1.158 CC(O)COCc1ncccc1Br 34a_100011996772_100011218427 [0,1,1,0,0,0|1,0,0]=3 4000 B13R1.158 CC(O)COCc1ncccc1Cl 34a_100012002383_100011218427 [0,1,1,0,0,0|1,0,0]=3 4001 B13R1.158 CC(O)COCc1ncccc1F 34a_100011934865_100011218427 [0,1,1,0,0,0|1,0,0]=3 4002 B13R1.158 CC(O)COCc1ncccc1N 34a_114873767017_100011218427 [0,1,1,0,0,0|1,0,0]=3 4003 B13R1.158 CC(O)COCc1nccnc1Cl 34a_100000057004_100011218427 [0,1,1,0,0,0|2,0,0]=4 4004 B13R1.158 CC(O)CSCc1ccccc1Br 62a_100000184730_100011218427 [0,1,1,0,0,0|0,1,0]=3 4005 B13R1.158 CC(O)CSCc1ccccc1Br 62a_100011218427_100000184730 [0,1,1,0,0,0|0,1,0]=3 4006 B13R1.158 CC(O)CSCc1ccccc1Cl 62a_100000187162_100011218427 [0,1,1,0,0,0|0,1,0]=3 4007 B13R1.158 CC(O)CSCc1ccccc1Cl 62a_100011218427_100000187162 [0,1,1,0,0,0|0,1,0]=3 4008 B13R1.158 CC(O)CSCc1ccccc1F 62a_100000211605_100011218427 [0,1,1,0,0,0|0,1,0]=3 4009 B13R1.158 CC(O)CSCc1ccccc1F 62a_100011218427_100000211605 [0,1,1,0,0,0|0,1,0]=3 4010 B13R1.158 CC(O)CSCc1ccccc1I 62a_100011216222_100011218427 [0,1,1,0,0,0|0,1,0]=3 4011 B13R1.158 CC(O)CSCc1ccccc1I 62a_100011218427_100011216222 [0,1,1,0,0,0|0,1,0]=3 4012 B13R1.158 CC(O)CSCc1cccnc1Br 62a_100010140945_100011218427 [0,1,1,0,0,0|1,1,0]=4 4013 B13R1.158 CC(O)CSCc1cccnc1Br 62a_100011218427_100010140945 [0,1,1,0,0,0|1,1,0]=4 4014 B13R1.158 CC(O)CSCc1cccnc1Cl 62a_100000045678_100011218427 [0,1,1,0,0,0|1,1,0]=4 4015 B13R1.158 CC(O)CSCc1cccnc1Cl 62a_100011218427_100000045678 [0,1,1,0,0,0|1,1,0]=4 4016 B13R1.158 CC(O)CSCc1cccnc1F 62a_100000099810_100011218427 [0,1,1,0,0,0|1,1,0]=4 4017 B13R1.158 CC(O)CSCc1cccnc1F 62a_100011218427_100000099810 [0,1,1,0,0,0|1,1,0]=4 4018 B13R1.158 CC(O)CSCc1ccncc1Cl 62a_100000763264_100011218427 [0,1,1,0,0,0|1,1,0]=4 4019 B13R1.158 CC(O)CSCc1ccncc1Cl 62a_100011218427_100000763264 [0,1,1,0,0,0|1,1,0]=4 4020 B13R1.158 CC(O)CSCc1ncccc1Br 62a_100011218427_100025702911 [0,1,1,0,0,0|1,1,0]=4 4021 B13R1.158 CC(O)CSCc1ncccc1Br 62a_100025702911_100011218427 [0,1,1,0,0,0|1,1,0]=4 4022 B13R1.158 CC(O)CSCc1ncccc1Cl 62a_100000099807_100011218427 [0,1,1,0,0,0|1,1,0]=4 4023 B13R1.158 CC(O)CSCc1ncccc1Cl 62a_100011218427_100000099807 [0,1,1,0,0,0|1,1,0]=4 4024 B13R1.158 CC(O)CSCc1ncccc1F 62a_100000104219_100011218427 [0,1,1,0,0,0|1,1,0]=4 4025 B13R1.158 CC(O)CSCc1ncccc1F 62a_100011218427_100000104219 [0,1,1,0,0,0|1,1,0]=4 4026 B13R1.158 CC(O)CSCc1ncccc1O 62a_100011218427_200020655725 [0,1,1,0,0,0|1,1,0]=4 4027 B13R1.158 CC(O)CSCc1ncccc1O 62a_200020655725_100011218427 [0,1,1,0,0,0|1,1,0]=4 4028 B13R1.158 C[C@@H](Cl)COCc1ccccc1Br 34a_100016084084_100000184730 [0,1,1,0,0,0|1,0,0]=3 4029 B13R1.158 C[C@@H](Cl)COCc1ccccc1Cl 34a_100016084084_100000187162 [0,1,1,0,0,0|1,0,0]=3 4030 B13R1.158 C[C@@H](Cl)COCc1ccccc1F 34a_100016084084_100000211605 [0,1,1,0,0,0|1,0,0]=3 4031 B13R1.158 C[C@@H](Cl)COCc1ccccc1I 34a_100016084084_100011215278 [0,1,1,0,0,0|1,0,0]=3 4032 B13R1.158 C[C@@H](Cl)COCc1cccnc1Br 34a_100016084084_100010140945 [0,1,1,0,0,0|2,0,0]=4 4033 B13R1.158 C[C@@H](Cl)COCc1cccnc1Cl 34a_100016084084_100000045678 [0,1,1,0,0,0|2,0,0]=4 4034 B13R1.158 C[C@@H](Cl)COCc1cccnc1F 34a_100016084084_100000099810 [0,1,1,0,0,0|2,0,0]=4 4035 B13R1.158 C[C@@H](Cl)COCc1ncccc1Br 34a_100016084084_100025702911 [0,1,1,0,0,0|2,0,0]=4 4036 B13R1.158 C[C@@H](Cl)COCc1ncccc1F 34a_100016084084_100000104219 [0,1,1,0,0,0|2,0,0]=4 4037 B13R1.158 C[C@@H](Cl)COCc1ncccc1O 34a_100016084084_200020655725 [0,1,1,0,0,0|2,0,0]=4 4038 B13R1.158 C[C@@H](N)COCc1ccccc1Br 34a_100000737577_100000184730 [0,1,1,0,0,0|1,0,0]=3 4039 B13R1.158 C[C@@H](N)COCc1ccccc1Cl 34a_100000737577_100000187162 [0,1,1,0,0,0|1,0,0]=3 4040 B13R1.158 C[C@@H](N)COCc1ccccc1F 34a_100000737577_100000211605 [0,1,1,0,0,0|1,0,0]=3 4041 B13R1.158 C[C@@H](N)COCc1ccccc1I 34a_100000737577_100011215278 [0,1,1,0,0,0|1,0,0]=3 4042 B13R1.158 C[C@@H](N)COCc1cccnc1Br 34a_100000737577_100010140945 [0,1,1,0,0,0|2,0,0]=4 4043 B13R1.158 C[C@@H](N)COCc1cccnc1Cl 34a_100000737577_100000045678 [0,1,1,0,0,0|2,0,0]=4 4044 B13R1.158 C[C@@H](N)COCc1cccnc1F 34a_100000737577_100000099810 [0,1,1,0,0,0|2,0,0]=4 4045 B13R1.158 C[C@@H](N)COCc1ncccc1Br 34a_100000737577_100025702911 [0,1,1,0,0,0|2,0,0]=4 4046 B13R1.158 C[C@@H](N)COCc1ncccc1F 34a_100000737577_100000104219 [0,1,1,0,0,0|2,0,0]=4 4047 B13R1.158 C[C@@H](N)COCc1ncccc1O 34a_100000737577_200020655725 [0,1,1,0,0,0|2,0,0]=4 4048 B13R1.158 C[C@@H](O)CNCc1ccccc1Br 2230a_100000689332_100009817552 [0,1,1,0,0,0|1,0,0]=3 4049 B13R1.158 C[C@@H](O)CNCc1ccccc1Br 34a_100000689332_100009817552 [0,1,1,0,0,0|1,0,0]=3 4050 B13R1.158 C[C@@H](O)CNCc1ccccc1Cl 2230a_100000174879_100009817552 [0,1,1,0,0,0|1,0,0]=3 4051 B13R1.158 C[C@@H](O)CNCc1ccccc1Cl 34a_100000174879_100009817552 [0,1,1,0,0,0|1,0,0]=3 4052 B13R1.158 C[C@@H](O)CNCc1ccccc1F 34a_100000174869_100009817552 [0,1,1,0,0,0|1,0,0]=3 4053 B13R1.158 C[C@@H](O)CNCc1ccccc1O 34a_100000185550_100009817552 [0,1,1,0,0,0|1,0,0]=3 4054 B13R1.158 C[C@@H](O)CNCc1cccnc1Br 2230a_100009818023_100009817552 [0,1,1,0,0,0|2,0,0]=4 4055 B13R1.158 C[C@@H](O)CNCc1cccnc1Br 34a_100009818023_100009817552 [0,1,1,0,0,0|2,0,0]=4 4056 B13R1.158 C[C@@H](O)CNCc1cccnc1Cl 2230a_100015189234_100009817552 [0,1,1,0,0,0|2,0,0]=4 4057 B13R1.158 C[C@@H](O)CNCc1cccnc1Cl 34a_100015189234_100009817552 [0,1,1,0,0,0|2,0,0]=4 4058 B13R1.158 C[C@@H](O)CNCc1cccnc1F 34a_100000724633_100009817552 [0,1,1,0,0,0|2,0,0]=4 4059 B13R1.158 C[C@@H](O)CNCc1ccncc1F 34a_100011935246_100009817552 [0,1,1,0,0,0|2,0,0]=4 4060 B13R1.158 C[C@@H](O)CNCc1ncccc1Cl 2230a_100015189233_100009817552 [0,1,1,0,0,0|2,0,0]=4 4061 B13R1.158 C[C@@H](O)CNCc1ncccc1F 34a_100000690088_100009817552 [0,1,1,0,0,0|2,0,0]=4 4062 B13R1.158 C[C@@H](O)COCc1ccccc1Br 34a_100000756307_100009817552 [0,1,1,0,0,0|0,0,0]=2 4063 B13R1.158 C[C@@H](O)COCc1ccccc1Br 7a_100000756307_100009817552 [0,1,1,0,0,0|0,0,0]=2 4064 B13R1.158 C[C@@H](O)COCc1ccccc1Cl 34a_100000210847_100009817552 [0,1,1,0,0,0|0,0,0]=2 4065 B13R1.158 C[C@@H](O)COCc1ccccc1Cl 7a_100000210847_100009817552 [0,1,1,0,0,0|0,0,0]=2 4066 B13R1.158 C[C@@H](O)COCc1ccccc1F 34a_100000211962_100009817552 [0,1,1,0,0,0|0,0,0]=2 4067 B13R1.158 C[C@@H](O)COCc1ccccc1F 7a_100000211962_100009817552 [0,1,1,0,0,0|0,0,0]=2 4068 B13R1.158 C[C@@H](O)COCc1ccccc1I 34a_100000187465_100009817552 [0,1,1,0,0,0|0,0,0]=2 4069 B13R1.158 C[C@@H](O)COCc1ccccc1I 7a_100000187465_100009817552 [0,1,1,0,0,0|0,0,0]=2 4070 B13R1.158 C[C@@H](O)COCc1ccccc1N 34a_100000212039_100009817552 [0,1,1,0,0,0|0,0,0]=2 4071 B13R1.158 C[C@@H](O)COCc1cccnc1Br 34a_100000719692_100009817552 [0,1,1,0,0,0|1,0,0]=3 4072 B13R1.158 C[C@@H](O)COCc1cccnc1Br 7a_100000719692_100009817552 [0,1,1,0,0,0|1,0,0]=3 4073 B13R1.158 C[C@@H](O)COCc1cccnc1Cl 34a_100000748726_100009817552 [0,1,1,0,0,0|1,0,0]=3 4074 B13R1.158 C[C@@H](O)COCc1cccnc1Cl 7a_100000748726_100009817552 [0,1,1,0,0,0|1,0,0]=3 4075 B13R1.158 C[C@@H](O)COCc1cccnc1F 34a_100000079888_100009817552 [0,1,1,0,0,0|1,0,0]=3 4076 B13R1.158 C[C@@H](O)COCc1cccnc1F 7a_100000079888_100009817552 [0,1,1,0,0,0|1,0,0]=3 4077 B13R1.158 C[C@@H](O)COCc1ccncc1F 34a_100012172863_100009817552 [0,1,1,0,0,0|1,0,0]=3 4078 B13R1.158 C[C@@H](O)COCc1cnccc1Cl 34a_100000117392_100009817552 [0,1,1,0,0,0|1,0,0]=3 4079 B13R1.158 C[C@@H](O)COCc1ncccc1Br 34a_100011996772_100009817552 [0,1,1,0,0,0|1,0,0]=3 4080 B13R1.158 C[C@@H](O)COCc1ncccc1Cl 34a_100012002383_100009817552 [0,1,1,0,0,0|1,0,0]=3 4081 B13R1.158 C[C@@H](O)COCc1ncccc1F 34a_100011934865_100009817552 [0,1,1,0,0,0|1,0,0]=3 4082 B13R1.158 C[C@@H](O)COCc1ncccc1N 34a_114873767017_100009817552 [0,1,1,0,0,0|1,0,0]=3 4083 B13R1.158 C[C@@H](O)COCc1nccnc1Cl 34a_100000057004_100009817552 [0,1,1,0,0,0|2,0,0]=4 4084 B13R1.158 C[C@@H](O)CSCc1ccccc1Br 62a_100000184730_100009817552 [0,1,1,0,0,0|0,1,0]=3 4085 B13R1.158 C[C@@H](O)CSCc1ccccc1Br 62a_100009817552_100000184730 [0,1,1,0,0,0|0,1,0]=3 4086 B13R1.158 C[C@@H](O)CSCc1ccccc1Cl 62a_100000187162_100009817552 [0,1,1,0,0,0|0,1,0]=3 4087 B13R1.158 C[C@@H](O)CSCc1ccccc1Cl 62a_100009817552_100000187162 [0,1,1,0,0,0|0,1,0]=3 4088 B13R1.158 C[C@@H](O)CSCc1ccccc1F 62a_100000211605_100009817552 [0,1,1,0,0,0|0,1,0]=3 4089 B13R1.158 C[C@@H](O)CSCc1ccccc1F 62a_100009817552_100000211605 [0,1,1,0,0,0|0,1,0]=3 4090 B13R1.158 C[C@@H](O)CSCc1ccccc1I 62a_100009817552_100011216222 [0,1,1,0,0,0|0,1,0]=3 4091 B13R1.158 C[C@@H](O)CSCc1ccccc1I 62a_100011216222_100009817552 [0,1,1,0,0,0|0,1,0]=3 4092 B13R1.158 C[C@@H](O)CSCc1cccnc1Br 62a_100009817552_100010140945 [0,1,1,0,0,0|1,1,0]=4 4093 B13R1.158 C[C@@H](O)CSCc1cccnc1Br 62a_100010140945_100009817552 [0,1,1,0,0,0|1,1,0]=4 4094 B13R1.158 C[C@@H](O)CSCc1cccnc1Cl 62a_100000045678_100009817552 [0,1,1,0,0,0|1,1,0]=4 4095 B13R1.158 C[C@@H](O)CSCc1cccnc1Cl 62a_100009817552_100000045678 [0,1,1,0,0,0|1,1,0]=4 4096 B13R1.158 C[C@@H](O)CSCc1cccnc1F 62a_100000099810_100009817552 [0,1,1,0,0,0|1,1,0]=4 4097 B13R1.158 C[C@@H](O)CSCc1cccnc1F 62a_100009817552_100000099810 [0,1,1,0,0,0|1,1,0]=4 4098 B13R1.158 C[C@@H](O)CSCc1ccncc1Cl 62a_100000763264_100009817552 [0,1,1,0,0,0|1,1,0]=4 4099 B13R1.158 C[C@@H](O)CSCc1ccncc1Cl 62a_100009817552_100000763264 [0,1,1,0,0,0|1,1,0]=4 4100 B13R1.158 C[C@@H](O)CSCc1ncccc1Br 62a_100009817552_100025702911 [0,1,1,0,0,0|1,1,0]=4 4101 B13R1.158 C[C@@H](O)CSCc1ncccc1Br 62a_100025702911_100009817552 [0,1,1,0,0,0|1,1,0]=4 4102 B13R1.158 C[C@@H](O)CSCc1ncccc1Cl 62a_100000099807_100009817552 [0,1,1,0,0,0|1,1,0]=4 4103 B13R1.158 C[C@@H](O)CSCc1ncccc1Cl 62a_100009817552_100000099807 [0,1,1,0,0,0|1,1,0]=4 4104 B13R1.158 C[C@@H](O)CSCc1ncccc1F 62a_100000104219_100009817552 [0,1,1,0,0,0|1,1,0]=4 4105 B13R1.158 C[C@@H](O)CSCc1ncccc1F 62a_100009817552_100000104219 [0,1,1,0,0,0|1,1,0]=4 4106 B13R1.158 C[C@@H](O)CSCc1ncccc1O 62a_100009817552_200020655725 [0,1,1,0,0,0|1,1,0]=4 4107 B13R1.158 C[C@@H](O)CSCc1ncccc1O 62a_200020655725_100009817552 [0,1,1,0,0,0|1,1,0]=4 4108 B13R1.158 Cc1ccccc1CNCC(C)C 207a_100000210953_100000211143 [0,1,1,0,0,0|2,0,0]=4 4109 B13R1.158 Cc1ccccc1CNCC(C)C 2230a_100000210953_100000211839 [0,1,1,0,0,0|2,0,0]=4 4110 B13R1.158 Cc1ccccc1CNCC(C)C 270004a_100000174972_100000210432 [0,1,1,0,0,0|2,0,0]=4 4111 B13R1.158 Cc1ccccc1CNCC(C)C 270004a_100000210953_100000211143 [0,1,1,0,0,0|2,0,0]=4 4112 B13R1.158 Cc1ccccc1CNCC(C)C 34a_100000174972_100000210624 [0,1,1,0,0,0|2,0,0]=4 4113 B13R1.158 Cc1ccccc1CNCC(C)C 34a_100000210953_100000211839 [0,1,1,0,0,0|2,0,0]=4 4114 B13R1.158 Cc1ccccc1CNCC(C)O 207a_100000210904_100000211143 [0,1,1,0,0,0|1,0,0]=3 4115 B13R1.158 Cc1ccccc1CNCC(C)O 2230a_100000210904_100000211839 [0,1,1,0,0,0|1,0,0]=3 4116 B13R1.158 Cc1ccccc1CNCC(C)O 270004a_100000210904_100000211143 [0,1,1,0,0,0|1,0,0]=3 4117 B13R1.158 Cc1ccccc1CNCC(C)O 34a_100000174972_100011218427 [0,1,1,0,0,0|1,0,0]=3 4118 B13R1.158 Cc1ccccc1CNCC(C)O 34a_100000210904_100000211839 [0,1,1,0,0,0|1,0,0]=3 4119 B13R1.158 Cc1ccccc1CNC[C@@H](C)O 34a_100000174972_100009817552 [0,1,1,0,0,0|1,0,0]=3 4120 B13R1.158 Cc1ccccc1COCC(C)Br 34a_100012180447_100000211839 [0,1,1,0,0,0|1,0,0]=3 4121 B13R1.158 Cc1ccccc1COCC(C)C 34a_100000210257_100000211839 [0,1,1,0,0,0|1,0,0]=3 4122 B13R1.158 Cc1ccccc1COCC(C)C 34a_100000698903_100000210624 [0,1,1,0,0,0|1,0,0]=3 4123 B13R1.158 Cc1ccccc1COCC(C)C 7a_100000698903_100000210760 [0,1,1,0,0,0|1,0,0]=3 4124 B13R1.158 Cc1ccccc1COCC(C)F 34a_100015925927_100000211839 [0,1,1,0,0,0|1,0,0]=3 4125 B13R1.158 Cc1ccccc1COCC(C)O 34a_100000698903_100011218427 [0,1,1,0,0,0|0,0,0]=2 4126 B13R1.158 Cc1ccccc1COCC(C)O 7a_100000698903_100011218427 [0,1,1,0,0,0|0,0,0]=2 4127 B13R1.158 Cc1ccccc1COCC(F)F 34a_100000698903_100011934356 [0,1,1,0,0,0|2,0,0]=4 4128 B13R1.158 Cc1ccccc1COCC(F)F 34a_100000743014_100000211839 [0,1,1,0,0,0|2,0,0]=4 4129 B13R1.158 Cc1ccccc1COCC(F)F 7a_100000698903_100011934356 [0,1,1,0,0,0|2,0,0]=4 4130 B13R1.158 Cc1ccccc1COC[C@@H](C)Cl 34a_100016084084_100000211839 [0,1,1,0,0,0|1,0,0]=3 4131 B13R1.158 Cc1ccccc1COC[C@@H](C)N 34a_100000737577_100000211839 [0,1,1,0,0,0|1,0,0]=3 4132 B13R1.158 Cc1ccccc1COC[C@@H](C)O 34a_100000698903_100009817552 [0,1,1,0,0,0|0,0,0]=2 4133 B13R1.158 Cc1ccccc1COC[C@@H](C)O 7a_100000698903_100009817552 [0,1,1,0,0,0|0,0,0]=2 4134 B13R1.158 Cc1ccccc1CSCC(C)C 62a_100000210624_100000211839 [0,1,1,0,0,0|1,1,0]=4 4135 B13R1.158 Cc1ccccc1CSCC(C)C 62a_100000211839_100000210760 [0,1,1,0,0,0|1,1,0]=4 4136 B13R1.158 Cc1ccccc1CSCC(C)O 62a_100000211839_100011218427 [0,1,1,0,0,0|0,1,0]=3 4137 B13R1.158 Cc1ccccc1CSCC(C)O 62a_100011218427_100000211839 [0,1,1,0,0,0|0,1,0]=3 4138 B13R1.158 Cc1ccccc1CSC[C@@H](C)O 62a_100000211839_100009817552 [0,1,1,0,0,0|0,1,0]=3 4139 B13R1.158 Cc1ccccc1CSC[C@@H](C)O 62a_100009817552_100000211839 [0,1,1,0,0,0|0,1,0]=3 4140 B13R1.158 Cc1ccccc1NCCC(C)O 34a_100015192222_100012276601 [0,1,1,0,0,0|2,0,0]=4 4141 B13R1.158 Cc1ccccc1OCCC(C)O 34a_100000210338_100012276601 [0,1,1,0,0,0|2,0,0]=4 4142 B13R1.158 Cc1ccccc1OCCC(C)O 7a_100000210338_100012276601 [0,1,1,0,0,0|2,0,0]=4 4143 B13R1.158 Cc1ccccc1SCCC(C)O 62a_100000210755_100012276601 [0,1,1,0,0,0|2,0,0]=4 4144 B13R1.158 Cc1ccccc1SCCC(C)O 62a_100012276601_100000210755 [0,1,1,0,0,0|2,0,0]=4 4145 B13R1.158 Cc1cccnc1CNCC(C)O 207a_100000210904_100000698913 [0,1,1,0,0,0|2,0,0]=4 4146 B13R1.158 Cc1cccnc1CNCC(C)O 2230a_100000210904_100000696600 [0,1,1,0,0,0|2,0,0]=4 4147 B13R1.158 Cc1cccnc1CNCC(C)O 270004a_100000210904_100000698913 [0,1,1,0,0,0|2,0,0]=4 4148 B13R1.158 Cc1cccnc1CNCC(C)O 34a_100000210904_100000696600 [0,1,1,0,0,0|2,0,0]=4 4149 B13R1.158 Cc1cccnc1CNCC(C)O 34a_100011223789_100011218427 [0,1,1,0,0,0|2,0,0]=4 4150 B13R1.158 Cc1cccnc1CNC[C@@H](C)O 34a_100011223789_100009817552 [0,1,1,0,0,0|2,0,0]=4 4151 B13R1.158 Cc1cccnc1COCC(C)Br 34a_100012180447_100000696600 [0,1,1,0,0,0|2,0,0]=4 4152 B13R1.158 Cc1cccnc1COCC(C)C 34a_100000210257_100000696600 [0,1,1,0,0,0|2,0,0]=4 4153 B13R1.158 Cc1cccnc1COCC(C)C 34a_100000698912_100000210624 [0,1,1,0,0,0|2,0,0]=4 4154 B13R1.158 Cc1cccnc1COCC(C)F 34a_100015925927_100000696600 [0,1,1,0,0,0|2,0,0]=4 4155 B13R1.158 Cc1cccnc1COCC(C)O 34a_100000698912_100011218427 [0,1,1,0,0,0|1,0,0]=3 4156 B13R1.158 Cc1cccnc1COC[C@@H](C)Cl 34a_100016084084_100000696600 [0,1,1,0,0,0|2,0,0]=4 4157 B13R1.158 Cc1cccnc1COC[C@@H](C)N 34a_100000737577_100000696600 [0,1,1,0,0,0|2,0,0]=4 4158 B13R1.158 Cc1cccnc1COC[C@@H](C)O 34a_100000698912_100009817552 [0,1,1,0,0,0|1,0,0]=3 4159 B13R1.158 Cc1cccnc1CSCC(C)O 62a_100000696600_100011218427 [0,1,1,0,0,0|1,1,0]=4 4160 B13R1.158 Cc1cccnc1CSCC(C)O 62a_100011218427_100000696600 [0,1,1,0,0,0|1,1,0]=4 4161 B13R1.158 Cc1cccnc1CSC[C@@H](C)O 62a_100000696600_100009817552 [0,1,1,0,0,0|1,1,0]=4 4162 B13R1.158 Cc1cccnc1CSC[C@@H](C)O 62a_100009817552_100000696600 [0,1,1,0,0,0|1,1,0]=4 4163 B13R1.158 Cc1ccncc1CNCC(C)O 207a_100000210904_100000685662 [0,1,1,0,0,0|2,0,0]=4 4164 B13R1.158 Cc1ccncc1CNCC(C)O 2230a_100000210904_100000690890 [0,1,1,0,0,0|2,0,0]=4 4165 B13R1.158 Cc1ccncc1CNCC(C)O 270004a_100000210904_100000685662 [0,1,1,0,0,0|2,0,0]=4 4166 B13R1.158 Cc1ccncc1CNCC(C)O 34a_100000210904_100000690890 [0,1,1,0,0,0|2,0,0]=4 4167 B13R1.158 Cc1ccncc1COCC(C)Br 34a_100012180447_100000690890 [0,1,1,0,0,0|2,0,0]=4 4168 B13R1.158 Cc1ccncc1COCC(C)C 34a_100000210257_100000690890 [0,1,1,0,0,0|2,0,0]=4 4169 B13R1.158 Cc1ccncc1COCC(C)C 34a_100011996381_100000210624 [0,1,1,0,0,0|2,0,0]=4 4170 B13R1.158 Cc1ccncc1COCC(C)F 34a_100015925927_100000690890 [0,1,1,0,0,0|2,0,0]=4 4171 B13R1.158 Cc1ccncc1COCC(C)O 34a_100011996381_100011218427 [0,1,1,0,0,0|1,0,0]=3 4172 B13R1.158 Cc1ccncc1COC[C@@H](C)Cl 34a_100016084084_100000690890 [0,1,1,0,0,0|2,0,0]=4 4173 B13R1.158 Cc1ccncc1COC[C@@H](C)N 34a_100000737577_100000690890 [0,1,1,0,0,0|2,0,0]=4 4174 B13R1.158 Cc1ccncc1COC[C@@H](C)O 34a_100011996381_100009817552 [0,1,1,0,0,0|1,0,0]=3 4175 B13R1.158 Cc1ccncc1CSCC(C)O 62a_100000690890_100011218427 [0,1,1,0,0,0|1,1,0]=4 4176 B13R1.158 Cc1ccncc1CSCC(C)O 62a_100011218427_100000690890 [0,1,1,0,0,0|1,1,0]=4 4177 B13R1.158 Cc1ccncc1CSC[C@@H](C)O 62a_100000690890_100009817552 [0,1,1,0,0,0|1,1,0]=4 4178 B13R1.158 Cc1ccncc1CSC[C@@H](C)O 62a_100009817552_100000690890 [0,1,1,0,0,0|1,1,0]=4 4179 B13R1.158 Cc1cnccc1CNCC(C)O 2230a_100000210904_100020672808 [0,1,1,0,0,0|2,0,0]=4 4180 B13R1.158 Cc1cnccc1CNCC(C)O 34a_100000210904_100020672809 [0,1,1,0,0,0|2,0,0]=4 4181 B13R1.158 Cc1cnccc1COCC(C)Br 34a_100012180447_100020672809 [0,1,1,0,0,0|2,0,0]=4 4182 B13R1.158 Cc1cnccc1COCC(C)C 34a_100000210257_100020672809 [0,1,1,0,0,0|2,0,0]=4 4183 B13R1.158 Cc1cnccc1COCC(C)C 34a_100011997032_100000210624 [0,1,1,0,0,0|2,0,0]=4 4184 B13R1.158 Cc1cnccc1COCC(C)F 34a_100015925927_100020672809 [0,1,1,0,0,0|2,0,0]=4 4185 B13R1.158 Cc1cnccc1COCC(C)O 34a_100011997032_100011218427 [0,1,1,0,0,0|1,0,0]=3 4186 B13R1.158 Cc1cnccc1COC[C@@H](C)Cl 34a_100016084084_100020672809 [0,1,1,0,0,0|2,0,0]=4 4187 B13R1.158 Cc1cnccc1COC[C@@H](C)N 34a_100000737577_100020672809 [0,1,1,0,0,0|2,0,0]=4 4188 B13R1.158 Cc1cnccc1COC[C@@H](C)O 34a_100011997032_100009817552 [0,1,1,0,0,0|1,0,0]=3 4189 B13R1.158 Cc1cnccc1CSCC(C)O 62a_100011218427_100020672808 [0,1,1,0,0,0|1,1,0]=4 4190 B13R1.158 Cc1cnccc1CSCC(C)O 62a_100020672808_100011218427 [0,1,1,0,0,0|1,1,0]=4 4191 B13R1.158 Cc1cnccc1CSC[C@@H](C)O 62a_100009817552_100020672808 [0,1,1,0,0,0|1,1,0]=4 4192 B13R1.158 Cc1cnccc1CSC[C@@H](C)O 62a_100020672808_100009817552 [0,1,1,0,0,0|1,1,0]=4 4193 B13R1.158 Cc1ncccc1CNCC(C)O 207a_100000210904_100000751968 [0,1,1,0,0,0|2,0,0]=4 4194 B13R1.158 Cc1ncccc1CNCC(C)O 2230a_100000210904_100000732876 [0,1,1,0,0,0|2,0,0]=4 4195 B13R1.158 Cc1ncccc1CNCC(C)O 270004a_100000210904_100000751968 [0,1,1,0,0,0|2,0,0]=4 4196 B13R1.158 Cc1ncccc1CNCC(C)O 34a_100000210904_100000732876 [0,1,1,0,0,0|2,0,0]=4 4197 B13R1.158 Cc1ncccc1COCC(C)Br 34a_100012180447_100000732876 [0,1,1,0,0,0|2,0,0]=4 4198 B13R1.158 Cc1ncccc1COCC(C)C 34a_100000210257_100000732876 [0,1,1,0,0,0|2,0,0]=4 4199 B13R1.158 Cc1ncccc1COCC(C)C 34a_100000729262_100000210624 [0,1,1,0,0,0|2,0,0]=4 4200 B13R1.158 Cc1ncccc1COCC(C)C 7a_100000729262_100000210760 [0,1,1,0,0,0|2,0,0]=4 4201 B13R1.158 Cc1ncccc1COCC(C)F 34a_100015925927_100000732876 [0,1,1,0,0,0|2,0,0]=4 4202 B13R1.158 Cc1ncccc1COCC(C)O 34a_100000729262_100011218427 [0,1,1,0,0,0|1,0,0]=3 4203 B13R1.158 Cc1ncccc1COCC(C)O 7a_100000729262_100011218427 [0,1,1,0,0,0|1,0,0]=3 4204 B13R1.158 Cc1ncccc1COC[C@@H](C)Cl 34a_100016084084_100000732876 [0,1,1,0,0,0|2,0,0]=4 4205 B13R1.158 Cc1ncccc1COC[C@@H](C)N 34a_100000737577_100000732876 [0,1,1,0,0,0|2,0,0]=4 4206 B13R1.158 Cc1ncccc1COC[C@@H](C)O 34a_100000729262_100009817552 [0,1,1,0,0,0|1,0,0]=3 4207 B13R1.158 Cc1ncccc1COC[C@@H](C)O 7a_100000729262_100009817552 [0,1,1,0,0,0|1,0,0]=3 4208 B13R1.158 Cc1ncccc1CSCC(C)O 62a_100000732876_100011218427 [0,1,1,0,0,0|1,1,0]=4 4209 B13R1.158 Cc1ncccc1CSCC(C)O 62a_100011218427_100000732876 [0,1,1,0,0,0|1,1,0]=4 4210 B13R1.158 Cc1ncccc1CSC[C@@H](C)O 62a_100000732876_100009817552 [0,1,1,0,0,0|1,1,0]=4 4211 B13R1.158 Cc1ncccc1CSC[C@@H](C)O 62a_100009817552_100000732876 [0,1,1,0,0,0|1,1,0]=4 4212 B13R1.158 FC(F)COCc1ccccc1Br 34a_100000743014_100000184730 [0,1,1,0,0,0|2,0,0]=4 4213 B13R1.158 FC(F)COCc1ccccc1Br 34a_100000756307_100011934356 [0,1,1,0,0,0|2,0,0]=4 4214 B13R1.158 FC(F)COCc1ccccc1Br 7a_100000756307_100011934356 [0,1,1,0,0,0|2,0,0]=4 4215 B13R1.158 FC(F)COCc1ccccc1Cl 34a_100000210847_100011934356 [0,1,1,0,0,0|2,0,0]=4 4216 B13R1.158 FC(F)COCc1ccccc1Cl 34a_100000743014_100000187162 [0,1,1,0,0,0|2,0,0]=4 4217 B13R1.158 FC(F)COCc1ccccc1Cl 7a_100000210847_100011934356 [0,1,1,0,0,0|2,0,0]=4 4218 B13R1.158 FC(F)COCc1ccccc1I 34a_100000187465_100011934356 [0,1,1,0,0,0|2,0,0]=4 4219 B13R1.158 FC(F)COCc1ccccc1I 34a_100000743014_100011215278 [0,1,1,0,0,0|2,0,0]=4 4220 B13R1.158 FC(F)COCc1ccccc1I 7a_100000187465_100011934356 [0,1,1,0,0,0|2,0,0]=4 4221 B13R1.158 Fc1ccccc1COCC(F)F 34a_100000211962_100011934356 [0,1,1,0,0,0|2,0,0]=4 4222 B13R1.158 Fc1ccccc1COCC(F)F 34a_100000743014_100000211605 [0,1,1,0,0,0|2,0,0]=4 4223 B13R1.158 Fc1ccccc1COCC(F)F 7a_100000211962_100011934356 [0,1,1,0,0,0|2,0,0]=4 4224 B13R1.158 Nc1ccccc1COCC(F)F 34a_100000212039_100011934356 [0,1,1,0,0,0|2,0,0]=4 4225 B13R1.348 CC(C)CC(=O)Cc1ccccc1 1458a_100000210554_100015291786 [0,1,1,0,0,0|2,0,0]=4 4226 B13R1.348 CC(C)CN(C)Cc1ccccc1 2230a_100000186898_100000210760 [0,1,1,0,0,0|2,0,0]=4 4227 B13R1.348 CC(C)CN(C)Cc1ccccc1 2230a_100000189081_200000210301 [0,1,1,0,0,0|2,0,0]=4 4228 B13R1.348 CC(C)CN(C)Cc1ccccc1 2230a_100000747067_100015291786 [0,1,1,0,0,0|2,0,0]=4 4229 B13R1.348 CC(C)CN(C)Cc1ccccc1 269982a_100000186898_100000210624 [0,1,1,0,0,0|2,0,0]=4 4230 B13R1.348 CC(C)CN(C)Cc1ccccc1 269982a_100000189081_200000210301 [0,1,1,0,0,0|2,0,0]=4 4231 B13R1.348 CC(C)CN(C)Cc1ccccc1 269982a_100000747067_100000211182 [0,1,1,0,0,0|2,0,0]=4 4232 B13R1.348 CC(C)CN(C)Cc1ccccc1 270004a_100000186898_100000210432 [0,1,1,0,0,0|2,0,0]=4 4233 B13R1.348 CC(C)CN(C)Cc1ccccc1 270004a_100000747067_100015611070 [0,1,1,0,0,0|2,0,0]=4 4234 B13R1.348 CC(C)CN(C)Cc1ccccc1 34a_100000189081_200000210301 [0,1,1,0,0,0|2,0,0]=4 4235 B13R1.348 CC(C)CN([13CH3])Cc1ccccc1 2230a_100000189081_200025704644 [0,1,1,0,0,0|2,0,0]=4 4236 B13R1.348 CC(C)CN([13CH3])Cc1ccccc1 269982a_100000189081_200025704644 [0,1,1,0,0,0|2,0,0]=4 4237 B13R1.348 CC(C)CN([13CH3])Cc1ccccc1 34a_100000189081_200025704644 [0,1,1,0,0,0|2,0,0]=4 4238 B13R1.348 CC(O)CC(=O)C[n+]1ccccc1 1458a_200000086051_100011218427 [0,1,1,0,0,0|2,0,0]=4 4239 B13R1.348 CC(O)CC(=O)Cc1ccccn1 1458a_100000233486_100011218427 [0,1,1,0,0,0|2,0,0]=4 4240 B13R1.348 CC(O)CC(=O)Cc1cccnc1 1458a_100000737805_100011218427 [0,1,1,0,0,0|2,0,0]=4 4241 B13R1.348 CC(O)CN(C)Cc1ccccc1 2230a_100000186898_100011218427 [0,1,1,0,0,0|1,0,0]=3 4242 B13R1.348 CC(O)CN(C)Cc1ccccc1 2230a_100000189065_200000210301 [0,1,1,0,0,0|1,0,0]=3 4243 B13R1.348 CC(O)CN(C)Cc1ccccc1 2230a_100000227577_100015291786 [0,1,1,0,0,0|1,0,0]=3 4244 B13R1.348 CC(O)CN(C)Cc1ccccc1 269982a_100000186898_100011218427 [0,1,1,0,0,0|1,0,0]=3 4245 B13R1.348 CC(O)CN(C)Cc1ccccc1 269982a_100000189065_200000210301 [0,1,1,0,0,0|1,0,0]=3 4246 B13R1.348 CC(O)CN(C)Cc1ccccc1 269982a_100000227577_100000211182 [0,1,1,0,0,0|1,0,0]=3 4247 B13R1.348 CC(O)CN(C)Cc1ccccc1 270004a_100000227577_100015611070 [0,1,1,0,0,0|1,0,0]=3 4248 B13R1.348 CC(O)CN(C)Cc1ccccn1 2230a_100000207498_100011218427 [0,1,1,0,0,0|2,0,0]=4 4249 B13R1.348 CC(O)CN(C)Cc1ccccn1 2230a_100000227577_100000721315 [0,1,1,0,0,0|2,0,0]=4 4250 B13R1.348 CC(O)CN(C)Cc1ccccn1 269982a_100000207498_100011218427 [0,1,1,0,0,0|2,0,0]=4 4251 B13R1.348 CC(O)CN(C)Cc1ccccn1 269982a_100000227577_100000721315 [0,1,1,0,0,0|2,0,0]=4 4252 B13R1.348 CC(O)CN(C)Cc1ccccn1 270004a_100000227577_100000209966 [0,1,1,0,0,0|2,0,0]=4 4253 B13R1.348 CC(O)CN(C)Cc1cccnc1 2230a_100000184577_100011218427 [0,1,1,0,0,0|2,0,0]=4 4254 B13R1.348 CC(O)CN(C)Cc1cccnc1 2230a_100000227577_100000741622 [0,1,1,0,0,0|2,0,0]=4 4255 B13R1.348 CC(O)CN(C)Cc1cccnc1 269982a_100000184577_100011218427 [0,1,1,0,0,0|2,0,0]=4 4256 B13R1.348 CC(O)CN(C)Cc1cccnc1 269982a_100000227577_100000733263 [0,1,1,0,0,0|2,0,0]=4 4257 B13R1.348 CC(O)CN(C)Cc1cccnc1 270004a_100000227577_100000209961 [0,1,1,0,0,0|2,0,0]=4 4258 B13R1.348 CC(O)CN(C)Cc1ccncc1 2230a_100000187231_100011218427 [0,1,1,0,0,0|2,0,0]=4 4259 B13R1.348 CC(O)CN(C)Cc1ccncc1 2230a_100000227577_100015193705 [0,1,1,0,0,0|2,0,0]=4 4260 B13R1.348 CC(O)CN(C)Cc1ccncc1 269982a_100000187231_100011218427 [0,1,1,0,0,0|2,0,0]=4 4261 B13R1.348 CC(O)CN(C)Cc1ccncc1 269982a_100000227577_100015193705 [0,1,1,0,0,0|2,0,0]=4 4262 B13R1.348 CC(O)CN([13CH3])Cc1ccccc1 2230a_100000189065_200025704644 [0,1,1,0,0,0|1,0,0]=3 4263 B13R1.348 CC(O)CN([13CH3])Cc1ccccc1 269982a_100000189065_200025704644 [0,1,1,0,0,0|1,0,0]=3 4264 B13R1.348 C[C@@H](O)CC(=O)Cc1ccccc1 1458a_100011933948_100015291786 [0,1,1,0,0,0|1,0,0]=3 4265 B13R1.348 C[C@@H](O)CC(=O)Cc1ccccn1 1458a_100011933948_100000721315 [0,1,1,0,0,0|2,0,0]=4 4266 B13R1.348 C[C@@H](O)CC(=O)Cc1cccnc1 1458a_100011933948_100000733263 [0,1,1,0,0,0|2,0,0]=4 4267 B13R1.348 C[C@@H](O)CC(=O)Cc1ccncc1 1458a_100011933948_100000705612 [0,1,1,0,0,0|2,0,0]=4 4268 B13R1.348 C[C@@H](O)CC(=O)Nc1ccccc1 22a_100000106764_100011933948 [0,1,1,0,0,0|2,0,0]=4 4269 B13R1.348 C[C@@H](O)CN(C)Cc1ccccc1 2230a_100000186898_100009817552 [0,1,1,0,0,0|1,0,0]=3 4270 B13R1.348 C[C@@H](O)CN(C)Cc1ccccc1 269982a_100000186898_100009817552 [0,1,1,0,0,0|1,0,0]=3 4271 B13R1.348 C[C@@H](O)CN(C)Cc1ccccn1 2230a_100000207498_100009817552 [0,1,1,0,0,0|2,0,0]=4 4272 B13R1.348 C[C@@H](O)CN(C)Cc1ccccn1 269982a_100000207498_100009817552 [0,1,1,0,0,0|2,0,0]=4 4273 B13R1.348 C[C@@H](O)CN(C)Cc1cccnc1 2230a_100000184577_100009817552 [0,1,1,0,0,0|2,0,0]=4 4274 B13R1.348 C[C@@H](O)CN(C)Cc1cccnc1 269982a_100000184577_100009817552 [0,1,1,0,0,0|2,0,0]=4 4275 B13R1.348 C[C@@H](O)CN(C)Cc1ccncc1 2230a_100000187231_100009817552 [0,1,1,0,0,0|2,0,0]=4 4276 B13R1.348 C[C@@H](O)CN(C)Cc1ccncc1 269982a_100000187231_100009817552 [0,1,1,0,0,0|2,0,0]=4 4277 B13R1.513 C=C(C)COCc1ccc(cc1)Br 34a_100000210245_100000189115 [0,1,1,0,0,0|1,0,1]=4 4278 B13R1.513 C=C(C)COCc1ccc(cc1)Br 34a_100000695286_100000748629 [0,1,1,0,0,0|1,0,1]=4 4279 B13R1.513 C=C(C)COCc1ccc(cc1)C 34a_100000210245_100000210814 [0,1,1,0,0,0|1,0,1]=4 4280 B13R1.513 C=C(C)COCc1ccc(cc1)C 34a_100011215236_100000748629 [0,1,1,0,0,0|1,0,1]=4 4281 B13R1.513 C=C(C)COCc1ccc(cc1)C 7a_100011215236_100000748629 [0,1,1,0,0,0|1,0,1]=4 4282 B13R1.513 C=C(C)COCc1ccc(cc1)Cl 34a_100000210245_100000694040 [0,1,1,0,0,0|1,0,1]=4 4283 B13R1.513 C=C(C)COCc1ccc(cc1)Cl 34a_100000211118_100000748629 [0,1,1,0,0,0|1,0,1]=4 4284 B13R1.513 C=C(C)COCc1ccc(cc1)Cl 7a_100000211118_100000748629 [0,1,1,0,0,0|1,0,1]=4 4285 B13R1.513 C=C(C)COCc1ccc(cc1)F 34a_100000210245_100000198546 [0,1,1,0,0,0|1,0,1]=4 4286 B13R1.513 C=C(C)COCc1ccc(cc1)F 34a_100000210977_100000748629 [0,1,1,0,0,0|1,0,1]=4 4287 B13R1.513 C=C(C)COCc1ccc(cc1)F 7a_100000210977_100000748629 [0,1,1,0,0,0|1,0,1]=4 4288 B13R1.513 C=C(C)COCc1ccc(cc1)I 34a_100000210245_100000189116 [0,1,1,0,0,0|1,0,1]=4 4289 B13R1.513 C=C(C)COCc1ccc(cc1)I 34a_100000690907_100000748629 [0,1,1,0,0,0|1,0,1]=4 4290 B13R1.513 C=C(C)COCc1ccc(cc1)I 7a_100000690907_100000748629 [0,1,1,0,0,0|1,0,1]=4 4291 B13R1.513 C=C(C)COCc1ccc(cc1)N 34a_100011215238_100000748629 [0,1,1,0,0,0|1,0,1]=4 4292 B13R1.513 CC(=O)COCc1ccc(cc1)Br 1458a_200012349173_200000210301 [0,1,1,0,0,0|0,0,2]=4 4293 B13R1.513 CC(=O)COCc1ccc(cc1)Br 34a_100000211253_100000189115 [0,1,1,0,0,0|0,0,2]=4 4294 B13R1.513 CC(=O)COCc1ccc(cc1)C 34a_100000211253_100000210814 [0,1,1,0,0,0|0,0,2]=4 4295 B13R1.513 CC(=O)COCc1ccc(cc1)Cl 34a_100000211253_100000694040 [0,1,1,0,0,0|0,0,2]=4 4296 B13R1.513 CC(=O)COCc1ccc(cc1)F 34a_100000211253_100000198546 [0,1,1,0,0,0|0,0,2]=4 4297 B13R1.513 CC(=O)COCc1ccc(cc1)I 34a_100000211253_100000189116 [0,1,1,0,0,0|0,0,2]=4 4298 B13R1.513 CC(Br)COCc1ccc(cc1)Br 34a_100012180447_100000189115 [0,1,1,0,0,0|1,0,0]=3 4299 B13R1.513 CC(Br)COCc1ccc(cc1)Cl 34a_100012180447_100000694040 [0,1,1,0,0,0|1,0,0]=3 4300 B13R1.513 CC(Br)COCc1ccc(cc1)F 34a_100012180447_100000198546 [0,1,1,0,0,0|1,0,0]=3 4301 B13R1.513 CC(Br)COCc1ccc(cc1)I 34a_100012180447_100000189116 [0,1,1,0,0,0|1,0,0]=3 4302 B13R1.513 CC(Br)COCc1ccc(cn1)Br 34a_100012180447_100000702658 [0,1,1,0,0,0|2,0,0]=4 4303 B13R1.513 CC(Br)COCc1ccc(cn1)Cl 34a_100012180447_100012066911 [0,1,1,0,0,0|2,0,0]=4 4304 B13R1.513 CC(Br)COCc1ccc(cn1)F 34a_100012180447_100000703193 [0,1,1,0,0,0|2,0,0]=4 4305 B13R1.513 CC(Br)COCc1ccc(nc1)Br 34a_100012180447_100009831999 [0,1,1,0,0,0|2,0,0]=4 4306 B13R1.513 CC(Br)COCc1ccc(nc1)Cl 34a_100012180447_100000735431 [0,1,1,0,0,0|2,0,0]=4 4307 B13R1.513 CC(Br)COCc1ccc(nc1)F 34a_100012180447_100000099788 [0,1,1,0,0,0|2,0,0]=4 4308 B13R1.513 CC(C)CNCc1ccc(cc1)Br 207a_100000210953_100000186029 [0,1,1,0,0,0|2,0,0]=4 4309 B13R1.513 CC(C)CNCc1ccc(cc1)Br 2230a_100000174875_100000210760 [0,1,1,0,0,0|2,0,0]=4 4310 B13R1.513 CC(C)CNCc1ccc(cc1)Br 2230a_100000210953_100011217064 [0,1,1,0,0,0|2,0,0]=4 4311 B13R1.513 CC(C)CNCc1ccc(cc1)Br 26a_100000210953_100000185759 [0,1,1,0,0,0|2,0,0]=4 4312 B13R1.513 CC(C)CNCc1ccc(cc1)Br 270004a_100000174875_100000210432 [0,1,1,0,0,0|2,0,0]=4 4313 B13R1.513 CC(C)CNCc1ccc(cc1)Br 270004a_100000210953_100000186029 [0,1,1,0,0,0|2,0,0]=4 4314 B13R1.513 CC(C)CNCc1ccc(cc1)Br 34a_100000174875_100000210624 [0,1,1,0,0,0|2,0,0]=4 4315 B13R1.513 CC(C)CNCc1ccc(cc1)Br 34a_100000210953_100000189115 [0,1,1,0,0,0|2,0,0]=4 4316 B13R1.513 CC(C)CNCc1ccc(cc1)Cl 207a_100000210953_100000189385 [0,1,1,0,0,0|2,0,0]=4 4317 B13R1.513 CC(C)CNCc1ccc(cc1)Cl 2230a_100000174871_100000210760 [0,1,1,0,0,0|2,0,0]=4 4318 B13R1.513 CC(C)CNCc1ccc(cc1)Cl 2230a_100000210953_100000694040 [0,1,1,0,0,0|2,0,0]=4 4319 B13R1.513 CC(C)CNCc1ccc(cc1)Cl 270004a_100000174871_100000210432 [0,1,1,0,0,0|2,0,0]=4 4320 B13R1.513 CC(C)CNCc1ccc(cc1)Cl 270004a_100000210953_100000189385 [0,1,1,0,0,0|2,0,0]=4 4321 B13R1.513 CC(C)CNCc1ccc(cc1)Cl 34a_100000174871_100000210624 [0,1,1,0,0,0|2,0,0]=4 4322 B13R1.513 CC(C)CNCc1ccc(cc1)Cl 34a_100000210953_100000694040 [0,1,1,0,0,0|2,0,0]=4 4323 B13R1.513 CC(C)CNCc1ccc(cc1)F 207a_100000210953_100000210084 [0,1,1,0,0,0|2,0,0]=4 4324 B13R1.513 CC(C)CNCc1ccc(cc1)F 2230a_100000174882_100000210760 [0,1,1,0,0,0|2,0,0]=4 4325 B13R1.513 CC(C)CNCc1ccc(cc1)F 2230a_100000210953_100000198546 [0,1,1,0,0,0|2,0,0]=4 4326 B13R1.513 CC(C)CNCc1ccc(cc1)F 270004a_100000174882_100000210432 [0,1,1,0,0,0|2,0,0]=4 4327 B13R1.513 CC(C)CNCc1ccc(cc1)F 270004a_100000210953_100000210084 [0,1,1,0,0,0|2,0,0]=4 4328 B13R1.513 CC(C)CNCc1ccc(cc1)F 34a_100000174882_100000210624 [0,1,1,0,0,0|2,0,0]=4 4329 B13R1.513 CC(C)CNCc1ccc(cc1)F 34a_100000210953_100000198546 [0,1,1,0,0,0|2,0,0]=4 4330 B13R1.513 CC(C)CNCc1ccc(cc1)I 207a_100000210953_100000188517 [0,1,1,0,0,0|2,0,0]=4 4331 B13R1.513 CC(C)CNCc1ccc(cc1)I 2230a_100000210953_100000189116 [0,1,1,0,0,0|2,0,0]=4 4332 B13R1.513 CC(C)CNCc1ccc(cc1)I 2230a_100016989417_100000210760 [0,1,1,0,0,0|2,0,0]=4 4333 B13R1.513 CC(C)CNCc1ccc(cc1)I 270004a_100016989417_100000210432 [0,1,1,0,0,0|2,0,0]=4 4334 B13R1.513 CC(C)CNCc1ccc(cc1)I 34a_100000210953_100000189116 [0,1,1,0,0,0|2,0,0]=4 4335 B13R1.513 CC(C)CNCc1ccc(cc1)I 34a_100016989417_100000210624 [0,1,1,0,0,0|2,0,0]=4 4336 B13R1.513 CC(C)CNCc1ccc(cc1)O 271570a_203496583355_100015183326 [0,1,1,0,0,0|2,0,0]=4 4337 B13R1.513 CC(C)CNCc1ccc(cc1)O 34a_100000185549_100000210624 [0,1,1,0,0,0|2,0,0]=4 4338 B13R1.513 CC(C)COCc1cc[n+](cc1)C 34a_100009831711_100000210624 [0,1,1,0,0,0|2,0,0]=4 4339 B13R1.513 CC(C)COCc1cc[n+](cc1)[O-] 34a_100000031831_100000210624 [0,1,1,0,0,0|2,0,0]=4 4340 B13R1.513 CC(C)COCc1cc[n+](cc1)[O-] 7a_100000031831_100000210760 [0,1,1,0,0,0|2,0,0]=4 4341 B13R1.513 CC(C)COCc1ccc(=O)[nH]c1 34a_100011999846_100000210624 [0,1,1,0,0,0|2,0,0]=4 4342 B13R1.513 CC(C)COCc1ccc(cc1)Br 34a_100000210257_100000189115 [0,1,1,0,0,0|1,0,0]=3 4343 B13R1.513 CC(C)COCc1ccc(cc1)Br 34a_100000695286_100000210624 [0,1,1,0,0,0|1,0,0]=3 4344 B13R1.513 CC(C)COCc1ccc(cc1)Cl 34a_100000210257_100000694040 [0,1,1,0,0,0|1,0,0]=3 4345 B13R1.513 CC(C)COCc1ccc(cc1)Cl 34a_100000211118_100000210624 [0,1,1,0,0,0|1,0,0]=3 4346 B13R1.513 CC(C)COCc1ccc(cc1)Cl 7a_100000211118_100000210760 [0,1,1,0,0,0|1,0,0]=3 4347 B13R1.513 CC(C)COCc1ccc(cc1)F 34a_100000210257_100000198546 [0,1,1,0,0,0|1,0,0]=3 4348 B13R1.513 CC(C)COCc1ccc(cc1)F 34a_100000210977_100000210624 [0,1,1,0,0,0|1,0,0]=3 4349 B13R1.513 CC(C)COCc1ccc(cc1)F 7a_100000210977_100000210760 [0,1,1,0,0,0|1,0,0]=3 4350 B13R1.513 CC(C)COCc1ccc(cc1)I 34a_100000210257_100000189116 [0,1,1,0,0,0|1,0,0]=3 4351 B13R1.513 CC(C)COCc1ccc(cc1)I 34a_100000690907_100000210624 [0,1,1,0,0,0|1,0,0]=3 4352 B13R1.513 CC(C)COCc1ccc(cc1)I 7a_100000690907_100000210760 [0,1,1,0,0,0|1,0,0]=3 4353 B13R1.513 CC(C)COCc1ccc(cc1)N 34a_100011215238_100000210624 [0,1,1,0,0,0|1,0,0]=3 4354 B13R1.513 CC(C)COCc1ccc(cn1)Br 34a_100000210257_100000702658 [0,1,1,0,0,0|2,0,0]=4 4355 B13R1.513 CC(C)COCc1ccc(cn1)Br 34a_100000754261_100000210624 [0,1,1,0,0,0|2,0,0]=4 4356 B13R1.513 CC(C)COCc1ccc(cn1)Cl 34a_100000210257_100012066911 [0,1,1,0,0,0|2,0,0]=4 4357 B13R1.513 CC(C)COCc1ccc(cn1)Cl 34a_100000703999_100000210624 [0,1,1,0,0,0|2,0,0]=4 4358 B13R1.513 CC(C)COCc1ccc(cn1)F 34a_100000210257_100000703193 [0,1,1,0,0,0|2,0,0]=4 4359 B13R1.513 CC(C)COCc1ccc(cn1)F 34a_100011999454_100000210624 [0,1,1,0,0,0|2,0,0]=4 4360 B13R1.513 CC(C)COCc1ccc(cn1)N 34a_100011998161_100000210624 [0,1,1,0,0,0|2,0,0]=4 4361 B13R1.513 CC(C)COCc1ccc(nc1)Br 34a_100000210257_100009831999 [0,1,1,0,0,0|2,0,0]=4 4362 B13R1.513 CC(C)COCc1ccc(nc1)Br 34a_100009816760_100000210624 [0,1,1,0,0,0|2,0,0]=4 4363 B13R1.513 CC(C)COCc1ccc(nc1)Br 7a_100009816760_100000210760 [0,1,1,0,0,0|2,0,0]=4 4364 B13R1.513 CC(C)COCc1ccc(nc1)Cl 34a_100000210257_100000735431 [0,1,1,0,0,0|2,0,0]=4 4365 B13R1.513 CC(C)COCc1ccc(nc1)Cl 34a_100000755211_100000210624 [0,1,1,0,0,0|2,0,0]=4 4366 B13R1.513 CC(C)COCc1ccc(nc1)Cl 7a_100000755211_100000210760 [0,1,1,0,0,0|2,0,0]=4 4367 B13R1.513 CC(C)COCc1ccc(nc1)F 34a_100000079959_100000210624 [0,1,1,0,0,0|2,0,0]=4 4368 B13R1.513 CC(C)COCc1ccc(nc1)F 34a_100000210257_100000099788 [0,1,1,0,0,0|2,0,0]=4 4369 B13R1.513 CC(C)COCc1ccc(nc1)N 34a_100000704267_100000210624 [0,1,1,0,0,0|2,0,0]=4 4370 B13R1.513 CC(C)CSCc1ccc(cc1)Br 62a_100000189115_100000210760 [0,1,1,0,0,0|1,1,0]=4 4371 B13R1.513 CC(C)CSCc1ccc(cc1)Br 62a_100000210624_100000189115 [0,1,1,0,0,0|1,1,0]=4 4372 B13R1.513 CC(C)CSCc1ccc(cc1)Cl 62a_100000187161_100000210760 [0,1,1,0,0,0|1,1,0]=4 4373 B13R1.513 CC(C)CSCc1ccc(cc1)Cl 62a_100000210624_100000187161 [0,1,1,0,0,0|1,1,0]=4 4374 B13R1.513 CC(C)CSCc1ccc(cc1)F 62a_100000198546_100000210760 [0,1,1,0,0,0|1,1,0]=4 4375 B13R1.513 CC(C)CSCc1ccc(cc1)F 62a_100000210624_100000187164 [0,1,1,0,0,0|1,1,0]=4 4376 B13R1.513 CC(C)CSCc1ccc(cc1)I 62a_100000189116_100000210760 [0,1,1,0,0,0|1,1,0]=4 4377 B13R1.513 CC(C)CSCc1ccc(cc1)I 62a_100000210624_100000189116 [0,1,1,0,0,0|1,1,0]=4 4378 B13R1.513 CC(F)COCc1ccc(cc1)Br 34a_100015925927_100000189115 [0,1,1,0,0,0|1,0,0]=3 4379 B13R1.513 CC(F)COCc1ccc(cc1)Cl 34a_100015925927_100000694040 [0,1,1,0,0,0|1,0,0]=3 4380 B13R1.513 CC(F)COCc1ccc(cc1)F 34a_100015925927_100000198546 [0,1,1,0,0,0|1,0,0]=3 4381 B13R1.513 CC(F)COCc1ccc(cc1)I 34a_100015925927_100000189116 [0,1,1,0,0,0|1,0,0]=3 4382 B13R1.513 CC(F)COCc1ccc(cn1)Br 34a_100015925927_100000702658 [0,1,1,0,0,0|2,0,0]=4 4383 B13R1.513 CC(F)COCc1ccc(cn1)Cl 34a_100015925927_100012066911 [0,1,1,0,0,0|2,0,0]=4 4384 B13R1.513 CC(F)COCc1ccc(cn1)F 34a_100015925927_100000703193 [0,1,1,0,0,0|2,0,0]=4 4385 B13R1.513 CC(F)COCc1ccc(nc1)Br 34a_100015925927_100009831999 [0,1,1,0,0,0|2,0,0]=4 4386 B13R1.513 CC(F)COCc1ccc(nc1)Cl 34a_100015925927_100000735431 [0,1,1,0,0,0|2,0,0]=4 4387 B13R1.513 CC(F)COCc1ccc(nc1)F 34a_100015925927_100000099788 [0,1,1,0,0,0|2,0,0]=4 4388 B13R1.513 CC(O)CCNc1ccc(cc1)Br 2230a_100000210018_100012276601 [0,1,1,0,0,0|2,0,0]=4 4389 B13R1.513 CC(O)CCNc1ccc(cc1)Br 34a_100000210018_100012276601 [0,1,1,0,0,0|2,0,0]=4 4390 B13R1.513 CC(O)CCNc1ccc(cc1)Cl 2230a_100000210052_100012276601 [0,1,1,0,0,0|2,0,0]=4 4391 B13R1.513 CC(O)CCNc1ccc(cc1)Cl 34a_100000210052_100012276601 [0,1,1,0,0,0|2,0,0]=4 4392 B13R1.513 CC(O)CCNc1ccc(cc1)F 34a_100000185862_100012276601 [0,1,1,0,0,0|2,0,0]=4 4393 B13R1.513 CC(O)CCNc1ccc(cc1)I 34a_100000185761_100012276601 [0,1,1,0,0,0|2,0,0]=4 4394 B13R1.513 CC(O)CCNc1ccc(cc1)O 34a_100000185829_100012276601 [0,1,1,0,0,0|2,0,0]=4 4395 B13R1.513 CC(O)CCOc1ccc(cc1)Br 34a_100000185759_100012276601 [0,1,1,0,0,0|2,0,0]=4 4396 B13R1.513 CC(O)CCOc1ccc(cc1)Br 7a_100000185759_100012276601 [0,1,1,0,0,0|2,0,0]=4 4397 B13R1.513 CC(O)CCOc1ccc(cc1)Cl 34a_100000210216_100012276601 [0,1,1,0,0,0|2,0,0]=4 4398 B13R1.513 CC(O)CCOc1ccc(cc1)Cl 7a_100000210216_100012276601 [0,1,1,0,0,0|2,0,0]=4 4399 B13R1.513 CC(O)CCOc1ccc(cc1)F 34a_100000210339_100012276601 [0,1,1,0,0,0|2,0,0]=4 4400 B13R1.513 CC(O)CCOc1ccc(cc1)I 34a_100000212066_100012276601 [0,1,1,0,0,0|2,0,0]=4 4401 B13R1.513 CC(O)CCOc1ccc(cc1)I 7a_100000212066_100012276601 [0,1,1,0,0,0|2,0,0]=4 4402 B13R1.513 CC(O)CCOc1ccc(cc1)N 34a_100000185829_100012276601 [0,1,1,0,0,0|2,0,0]=4 4403 B13R1.513 CC(O)CCSc1ccc(cc1)Br 62a_100000752885_100012276601 [0,1,1,0,0,0|2,0,0]=4 4404 B13R1.513 CC(O)CCSc1ccc(cc1)Br 62a_100012276601_100000752885 [0,1,1,0,0,0|2,0,0]=4 4405 B13R1.513 CC(O)CCSc1ccc(cc1)Cl 62a_100000755918_100012276601 [0,1,1,0,0,0|2,0,0]=4 4406 B13R1.513 CC(O)CCSc1ccc(cc1)Cl 62a_100012276601_100000755918 [0,1,1,0,0,0|2,0,0]=4 4407 B13R1.513 CC(O)CCSc1ccc(cc1)F 62a_100000211213_100012276601 [0,1,1,0,0,0|2,0,0]=4 4408 B13R1.513 CC(O)CCSc1ccc(cc1)F 62a_100012276601_100000211213 [0,1,1,0,0,0|2,0,0]=4 4409 B13R1.513 CC(O)CCSc1ccc(cc1)N 62a_100000185761_100012276601 [0,1,1,0,0,0|2,0,0]=4 4410 B13R1.513 CC(O)CCSc1ccc(cc1)N 62a_100012276601_100000185761 [0,1,1,0,0,0|2,0,0]=4 4411 B13R1.513 CC(O)CCSc1ccc(cc1)O 62a_100012276601_100000185759 [0,1,1,0,0,0|2,0,0]=4 4412 B13R1.513 CC(O)CNCc1ccc(cc1)Br 207a_100000210904_100000186029 [0,1,1,0,0,0|1,0,0]=3 4413 B13R1.513 CC(O)CNCc1ccc(cc1)Br 2230a_100000174875_100011218427 [0,1,1,0,0,0|1,0,0]=3 4414 B13R1.513 CC(O)CNCc1ccc(cc1)Br 2230a_100000210904_100011217064 [0,1,1,0,0,0|1,0,0]=3 4415 B13R1.513 CC(O)CNCc1ccc(cc1)Br 270004a_100000210904_100000186029 [0,1,1,0,0,0|1,0,0]=3 4416 B13R1.513 CC(O)CNCc1ccc(cc1)Br 34a_100000174875_100011218427 [0,1,1,0,0,0|1,0,0]=3 4417 B13R1.513 CC(O)CNCc1ccc(cc1)Br 34a_100000210904_100000189115 [0,1,1,0,0,0|1,0,0]=3 4418 B13R1.513 CC(O)CNCc1ccc(cc1)Cl 207a_100000210904_100000189385 [0,1,1,0,0,0|1,0,0]=3 4419 B13R1.513 CC(O)CNCc1ccc(cc1)Cl 2230a_100000174871_100011218427 [0,1,1,0,0,0|1,0,0]=3 4420 B13R1.513 CC(O)CNCc1ccc(cc1)Cl 2230a_100000210904_100000694040 [0,1,1,0,0,0|1,0,0]=3 4421 B13R1.513 CC(O)CNCc1ccc(cc1)Cl 270004a_100000210904_100000189385 [0,1,1,0,0,0|1,0,0]=3 4422 B13R1.513 CC(O)CNCc1ccc(cc1)Cl 34a_100000174871_100011218427 [0,1,1,0,0,0|1,0,0]=3 4423 B13R1.513 CC(O)CNCc1ccc(cc1)Cl 34a_100000210904_100000694040 [0,1,1,0,0,0|1,0,0]=3 4424 B13R1.513 CC(O)CNCc1ccc(cc1)F 207a_100000210904_100000210084 [0,1,1,0,0,0|1,0,0]=3 4425 B13R1.513 CC(O)CNCc1ccc(cc1)F 2230a_100000174882_100011218427 [0,1,1,0,0,0|1,0,0]=3 4426 B13R1.513 CC(O)CNCc1ccc(cc1)F 2230a_100000210904_100000198546 [0,1,1,0,0,0|1,0,0]=3 4427 B13R1.513 CC(O)CNCc1ccc(cc1)F 270004a_100000210904_100000210084 [0,1,1,0,0,0|1,0,0]=3 4428 B13R1.513 CC(O)CNCc1ccc(cc1)F 34a_100000174882_100011218427 [0,1,1,0,0,0|1,0,0]=3 4429 B13R1.513 CC(O)CNCc1ccc(cc1)F 34a_100000210904_100000198546 [0,1,1,0,0,0|1,0,0]=3 4430 B13R1.513 CC(O)CNCc1ccc(cc1)I 207a_100000210904_100000188517 [0,1,1,0,0,0|1,0,0]=3 4431 B13R1.513 CC(O)CNCc1ccc(cc1)I 2230a_100000210904_100000189116 [0,1,1,0,0,0|1,0,0]=3 4432 B13R1.513 CC(O)CNCc1ccc(cc1)I 2230a_100016989417_100011218427 [0,1,1,0,0,0|1,0,0]=3 4433 B13R1.513 CC(O)CNCc1ccc(cc1)I 34a_100000210904_100000189116 [0,1,1,0,0,0|1,0,0]=3 4434 B13R1.513 CC(O)CNCc1ccc(cc1)I 34a_100016989417_100011218427 [0,1,1,0,0,0|1,0,0]=3 4435 B13R1.513 CC(O)CNCc1ccc(cc1)O 34a_100000185549_100011218427 [0,1,1,0,0,0|1,0,0]=3 4436 B13R1.513 CC(O)CNCc1ccc(cn1)Br 207a_100000210904_100000754260 [0,1,1,0,0,0|2,0,0]=4 4437 B13R1.513 CC(O)CNCc1ccc(cn1)Br 2230a_100000210904_100000702658 [0,1,1,0,0,0|2,0,0]=4 4438 B13R1.513 CC(O)CNCc1ccc(cn1)Br 270004a_100000210904_100000754260 [0,1,1,0,0,0|2,0,0]=4 4439 B13R1.513 CC(O)CNCc1ccc(cn1)Br 34a_100000210904_100000702658 [0,1,1,0,0,0|2,0,0]=4 4440 B13R1.513 CC(O)CNCc1ccc(cn1)Br 34a_100015188789_100011218427 [0,1,1,0,0,0|2,0,0]=4 4441 B13R1.513 CC(O)CNCc1ccc(cn1)Cl 207a_100000210904_100011361569 [0,1,1,0,0,0|2,0,0]=4 4442 B13R1.513 CC(O)CNCc1ccc(cn1)Cl 2230a_100000210904_100012066911 [0,1,1,0,0,0|2,0,0]=4 4443 B13R1.513 CC(O)CNCc1ccc(cn1)Cl 270004a_100000210904_100011361569 [0,1,1,0,0,0|2,0,0]=4 4444 B13R1.513 CC(O)CNCc1ccc(cn1)Cl 34a_100000210904_100012066911 [0,1,1,0,0,0|2,0,0]=4 4445 B13R1.513 CC(O)CNCc1ccc(cn1)Cl 34a_100000697193_100011218427 [0,1,1,0,0,0|2,0,0]=4 4446 B13R1.513 CC(O)CNCc1ccc(cn1)F 207a_100000210904_100011934744 [0,1,1,0,0,0|2,0,0]=4 4447 B13R1.513 CC(O)CNCc1ccc(cn1)F 2230a_100000210904_100000703193 [0,1,1,0,0,0|2,0,0]=4 4448 B13R1.513 CC(O)CNCc1ccc(cn1)F 270004a_100000210904_100011934744 [0,1,1,0,0,0|2,0,0]=4 4449 B13R1.513 CC(O)CNCc1ccc(cn1)F 34a_100000210904_100000703193 [0,1,1,0,0,0|2,0,0]=4 4450 B13R1.513 CC(O)CNCc1ccc(cn1)F 34a_100020620131_100011218427 [0,1,1,0,0,0|2,0,0]=4 4451 B13R1.513 CC(O)CNCc1ccc(nc1)Br 2230a_100000210904_100009831999 [0,1,1,0,0,0|2,0,0]=4 4452 B13R1.513 CC(O)CNCc1ccc(nc1)Br 2230a_100009817727_100011218427 [0,1,1,0,0,0|2,0,0]=4 4453 B13R1.513 CC(O)CNCc1ccc(nc1)Br 34a_100000210904_100009831999 [0,1,1,0,0,0|2,0,0]=4 4454 B13R1.513 CC(O)CNCc1ccc(nc1)Br 34a_100009817727_100011218427 [0,1,1,0,0,0|2,0,0]=4 4455 B13R1.513 CC(O)CNCc1ccc(nc1)Cl 2230a_100000210904_100000735431 [0,1,1,0,0,0|2,0,0]=4 4456 B13R1.513 CC(O)CNCc1ccc(nc1)Cl 2230a_100000735879_100011218427 [0,1,1,0,0,0|2,0,0]=4 4457 B13R1.513 CC(O)CNCc1ccc(nc1)Cl 34a_100000210904_100000735431 [0,1,1,0,0,0|2,0,0]=4 4458 B13R1.513 CC(O)CNCc1ccc(nc1)Cl 34a_100000735879_100011218427 [0,1,1,0,0,0|2,0,0]=4 4459 B13R1.513 CC(O)CNCc1ccc(nc1)F 2230a_100000101913_100011218427 [0,1,1,0,0,0|2,0,0]=4 4460 B13R1.513 CC(O)CNCc1ccc(nc1)F 2230a_100000210904_100009820150 [0,1,1,0,0,0|2,0,0]=4 4461 B13R1.513 CC(O)CNCc1ccc(nc1)F 34a_100000101913_100011218427 [0,1,1,0,0,0|2,0,0]=4 4462 B13R1.513 CC(O)CNCc1ccc(nc1)F 34a_100000210904_100000099788 [0,1,1,0,0,0|2,0,0]=4 4463 B13R1.513 CC(O)CNCc1ccc(nc1)O 207a_100000210904_100011361521 [0,1,1,0,0,0|2,0,0]=4 4464 B13R1.513 CC(O)CNCc1ccc(nc1)O 2230a_100000757128_100011218427 [0,1,1,0,0,0|2,0,0]=4 4465 B13R1.513 CC(O)COCc1cc[n+](cc1)C 34a_100009831711_100011218427 [0,1,1,0,0,0|1,0,0]=3 4466 B13R1.513 CC(O)COCc1cc[n+](cc1)[O-] 34a_100000031831_100011218427 [0,1,1,0,0,0|1,0,0]=3 4467 B13R1.513 CC(O)COCc1cc[n+](cc1)[O-] 7a_100000031831_100011218427 [0,1,1,0,0,0|1,0,0]=3 4468 B13R1.513 CC(O)COCc1ccc(=O)[nH]c1 34a_100011999846_100011218427 [0,1,1,0,0,0|1,0,0]=3 4469 B13R1.513 CC(O)COCc1ccc(cc1)Br 34a_100000695286_100011218427 [0,1,1,0,0,0|0,0,0]=2 4470 B13R1.513 CC(O)COCc1ccc(cc1)Cl 34a_100000211118_100011218427 [0,1,1,0,0,0|0,0,0]=2 4471 B13R1.513 CC(O)COCc1ccc(cc1)Cl 7a_100000211118_100011218427 [0,1,1,0,0,0|0,0,0]=2 4472 B13R1.513 CC(O)COCc1ccc(cc1)F 34a_100000210977_100011218427 [0,1,1,0,0,0|0,0,0]=2 4473 B13R1.513 CC(O)COCc1ccc(cc1)F 7a_100000210977_100011218427 [0,1,1,0,0,0|0,0,0]=2 4474 B13R1.513 CC(O)COCc1ccc(cc1)I 34a_100000690907_100011218427 [0,1,1,0,0,0|0,0,0]=2 4475 B13R1.513 CC(O)COCc1ccc(cc1)I 7a_100000690907_100011218427 [0,1,1,0,0,0|0,0,0]=2 4476 B13R1.513 CC(O)COCc1ccc(cc1)N 34a_100011215238_100011218427 [0,1,1,0,0,0|0,0,0]=2 4477 B13R1.513 CC(O)COCc1ccc(cn1)Br 34a_100000754261_100011218427 [0,1,1,0,0,0|1,0,0]=3 4478 B13R1.513 CC(O)COCc1ccc(cn1)Cl 34a_100000703999_100011218427 [0,1,1,0,0,0|1,0,0]=3 4479 B13R1.513 CC(O)COCc1ccc(cn1)F 34a_100011999454_100011218427 [0,1,1,0,0,0|1,0,0]=3 4480 B13R1.513 CC(O)COCc1ccc(cn1)N 34a_100011998161_100011218427 [0,1,1,0,0,0|1,0,0]=3 4481 B13R1.513 CC(O)COCc1ccc(nc1)Br 34a_100009816760_100011218427 [0,1,1,0,0,0|1,0,0]=3 4482 B13R1.513 CC(O)COCc1ccc(nc1)Br 7a_100009816760_100011218427 [0,1,1,0,0,0|1,0,0]=3 4483 B13R1.513 CC(O)COCc1ccc(nc1)Cl 34a_100000755211_100011218427 [0,1,1,0,0,0|1,0,0]=3 4484 B13R1.513 CC(O)COCc1ccc(nc1)Cl 7a_100000755211_100011218427 [0,1,1,0,0,0|1,0,0]=3 4485 B13R1.513 CC(O)COCc1ccc(nc1)F 34a_100000079959_100011218427 [0,1,1,0,0,0|1,0,0]=3 4486 B13R1.513 CC(O)COCc1ccc(nc1)N 34a_100000704267_100011218427 [0,1,1,0,0,0|1,0,0]=3 4487 B13R1.513 CC(O)COCc1cnc(cn1)Cl 34a_100012002382_100011218427 [0,1,1,0,0,0|2,0,0]=4 4488 B13R1.513 CC(O)COCc1cnc(nc1)Cl 34a_100009855073_100011218427 [0,1,1,0,0,0|2,0,0]=4 4489 B13R1.513 CC(O)COCc1cnc(nc1)Cl 7a_100009855073_100011218427 [0,1,1,0,0,0|2,0,0]=4 4490 B13R1.513 CC(O)CSCc1ccc(cc1)Br 62a_100000189115_100011218427 [0,1,1,0,0,0|0,1,0]=3 4491 B13R1.513 CC(O)CSCc1ccc(cc1)Br 62a_100011218427_100000189115 [0,1,1,0,0,0|0,1,0]=3 4492 B13R1.513 CC(O)CSCc1ccc(cc1)Cl 62a_100000187161_100011218427 [0,1,1,0,0,0|0,1,0]=3 4493 B13R1.513 CC(O)CSCc1ccc(cc1)Cl 62a_100011218427_100000187161 [0,1,1,0,0,0|0,1,0]=3 4494 B13R1.513 CC(O)CSCc1ccc(cc1)F 62a_100000198546_100011218427 [0,1,1,0,0,0|0,1,0]=3 4495 B13R1.513 CC(O)CSCc1ccc(cc1)F 62a_100011218427_100000187164 [0,1,1,0,0,0|0,1,0]=3 4496 B13R1.513 CC(O)CSCc1ccc(cc1)I 62a_100000189116_100011218427 [0,1,1,0,0,0|0,1,0]=3 4497 B13R1.513 CC(O)CSCc1ccc(cc1)I 62a_100011218427_100000189116 [0,1,1,0,0,0|0,1,0]=3 4498 B13R1.513 CC(O)CSCc1ccc(cn1)Br 62a_100000702658_100011218427 [0,1,1,0,0,0|1,1,0]=4 4499 B13R1.513 CC(O)CSCc1ccc(cn1)Br 62a_100011218427_100000702658 [0,1,1,0,0,0|1,1,0]=4 4500 B13R1.513 CC(O)CSCc1ccc(cn1)Cl 62a_100011218427_100000697101 [0,1,1,0,0,0|1,1,0]=4 4501 B13R1.513 CC(O)CSCc1ccc(cn1)Cl 62a_100012066911_100011218427 [0,1,1,0,0,0|1,1,0]=4 4502 B13R1.513 CC(O)CSCc1ccc(cn1)F 62a_100000703193_100011218427 [0,1,1,0,0,0|1,1,0]=4 4503 B13R1.513 CC(O)CSCc1ccc(cn1)F 62a_100011218427_100000703193 [0,1,1,0,0,0|1,1,0]=4 4504 B13R1.513 CC(O)CSCc1ccc(nc1)Br 62a_100009831999_100011218427 [0,1,1,0,0,0|1,1,0]=4 4505 B13R1.513 CC(O)CSCc1ccc(nc1)Br 62a_100011218427_100009831999 [0,1,1,0,0,0|1,1,0]=4 4506 B13R1.513 CC(O)CSCc1ccc(nc1)Cl 62a_100000735431_100011218427 [0,1,1,0,0,0|1,1,0]=4 4507 B13R1.513 CC(O)CSCc1ccc(nc1)Cl 62a_100011218427_100000735431 [0,1,1,0,0,0|1,1,0]=4 4508 B13R1.513 CC(O)CSCc1ccc(nc1)F 62a_100009820150_100011218427 [0,1,1,0,0,0|1,1,0]=4 4509 B13R1.513 CC(O)CSCc1ccc(nc1)F 62a_100011218427_100000099788 [0,1,1,0,0,0|1,1,0]=4 4510 B13R1.513 C[C@@H](Cl)COCc1ccc(cc1)Br 34a_100016084084_100000189115 [0,1,1,0,0,0|1,0,0]=3 4511 B13R1.513 C[C@@H](Cl)COCc1ccc(cc1)Cl 34a_100016084084_100000694040 [0,1,1,0,0,0|1,0,0]=3 4512 B13R1.513 C[C@@H](Cl)COCc1ccc(cc1)F 34a_100016084084_100000198546 [0,1,1,0,0,0|1,0,0]=3 4513 B13R1.513 C[C@@H](Cl)COCc1ccc(cc1)I 34a_100016084084_100000189116 [0,1,1,0,0,0|1,0,0]=3 4514 B13R1.513 C[C@@H](Cl)COCc1ccc(cn1)Br 34a_100016084084_100000702658 [0,1,1,0,0,0|2,0,0]=4 4515 B13R1.513 C[C@@H](Cl)COCc1ccc(cn1)Cl 34a_100016084084_100012066911 [0,1,1,0,0,0|2,0,0]=4 4516 B13R1.513 C[C@@H](Cl)COCc1ccc(cn1)F 34a_100016084084_100000703193 [0,1,1,0,0,0|2,0,0]=4 4517 B13R1.513 C[C@@H](Cl)COCc1ccc(nc1)Br 34a_100016084084_100009831999 [0,1,1,0,0,0|2,0,0]=4 4518 B13R1.513 C[C@@H](Cl)COCc1ccc(nc1)Cl 34a_100016084084_100000735431 [0,1,1,0,0,0|2,0,0]=4 4519 B13R1.513 C[C@@H](Cl)COCc1ccc(nc1)F 34a_100016084084_100000099788 [0,1,1,0,0,0|2,0,0]=4 4520 B13R1.513 C[C@@H](N)COCc1ccc(cc1)Br 34a_100000737577_100000189115 [0,1,1,0,0,0|1,0,0]=3 4521 B13R1.513 C[C@@H](N)COCc1ccc(cc1)Cl 34a_100000737577_100000694040 [0,1,1,0,0,0|1,0,0]=3 4522 B13R1.513 C[C@@H](N)COCc1ccc(cc1)F 34a_100000737577_100000198546 [0,1,1,0,0,0|1,0,0]=3 4523 B13R1.513 C[C@@H](N)COCc1ccc(cc1)I 34a_100000737577_100000189116 [0,1,1,0,0,0|1,0,0]=3 4524 B13R1.513 C[C@@H](N)COCc1ccc(cn1)Br 34a_100000737577_100000702658 [0,1,1,0,0,0|2,0,0]=4 4525 B13R1.513 C[C@@H](N)COCc1ccc(cn1)Cl 34a_100000737577_100012066911 [0,1,1,0,0,0|2,0,0]=4 4526 B13R1.513 C[C@@H](N)COCc1ccc(cn1)F 34a_100000737577_100000703193 [0,1,1,0,0,0|2,0,0]=4 4527 B13R1.513 C[C@@H](N)COCc1ccc(nc1)Br 34a_100000737577_100009831999 [0,1,1,0,0,0|2,0,0]=4 4528 B13R1.513 C[C@@H](N)COCc1ccc(nc1)Cl 34a_100000737577_100000735431 [0,1,1,0,0,0|2,0,0]=4 4529 B13R1.513 C[C@@H](N)COCc1ccc(nc1)F 34a_100000737577_100000099788 [0,1,1,0,0,0|2,0,0]=4 4530 B13R1.513 C[C@@H](O)CNCc1ccc(cc1)Br 2230a_100000174875_100009817552 [0,1,1,0,0,0|1,0,0]=3 4531 B13R1.513 C[C@@H](O)CNCc1ccc(cc1)Br 34a_100000174875_100009817552 [0,1,1,0,0,0|1,0,0]=3 4532 B13R1.513 C[C@@H](O)CNCc1ccc(cc1)Cl 2230a_100000174871_100009817552 [0,1,1,0,0,0|1,0,0]=3 4533 B13R1.513 C[C@@H](O)CNCc1ccc(cc1)Cl 34a_100000174871_100009817552 [0,1,1,0,0,0|1,0,0]=3 4534 B13R1.513 C[C@@H](O)CNCc1ccc(cc1)F 2230a_100000174882_100009817552 [0,1,1,0,0,0|1,0,0]=3 4535 B13R1.513 C[C@@H](O)CNCc1ccc(cc1)F 34a_100000174882_100009817552 [0,1,1,0,0,0|1,0,0]=3 4536 B13R1.513 C[C@@H](O)CNCc1ccc(cc1)I 2230a_100016989417_100009817552 [0,1,1,0,0,0|1,0,0]=3 4537 B13R1.513 C[C@@H](O)CNCc1ccc(cc1)I 34a_100016989417_100009817552 [0,1,1,0,0,0|1,0,0]=3 4538 B13R1.513 C[C@@H](O)CNCc1ccc(cc1)O 34a_100000185549_100009817552 [0,1,1,0,0,0|1,0,0]=3 4539 B13R1.513 C[C@@H](O)CNCc1ccc(cn1)Br 34a_100015188789_100009817552 [0,1,1,0,0,0|2,0,0]=4 4540 B13R1.513 C[C@@H](O)CNCc1ccc(cn1)Cl 34a_100000697193_100009817552 [0,1,1,0,0,0|2,0,0]=4 4541 B13R1.513 C[C@@H](O)CNCc1ccc(cn1)F 34a_100020620131_100009817552 [0,1,1,0,0,0|2,0,0]=4 4542 B13R1.513 C[C@@H](O)CNCc1ccc(nc1)Br 2230a_100009817727_100009817552 [0,1,1,0,0,0|2,0,0]=4 4543 B13R1.513 C[C@@H](O)CNCc1ccc(nc1)Br 34a_100009817727_100009817552 [0,1,1,0,0,0|2,0,0]=4 4544 B13R1.513 C[C@@H](O)CNCc1ccc(nc1)Cl 2230a_100000735879_100009817552 [0,1,1,0,0,0|2,0,0]=4 4545 B13R1.513 C[C@@H](O)CNCc1ccc(nc1)Cl 34a_100000735879_100009817552 [0,1,1,0,0,0|2,0,0]=4 4546 B13R1.513 C[C@@H](O)CNCc1ccc(nc1)F 2230a_100000101913_100009817552 [0,1,1,0,0,0|2,0,0]=4 4547 B13R1.513 C[C@@H](O)CNCc1ccc(nc1)F 34a_100000101913_100009817552 [0,1,1,0,0,0|2,0,0]=4 4548 B13R1.513 C[C@@H](O)CNCc1ccc(nc1)O 2230a_100000757128_100009817552 [0,1,1,0,0,0|2,0,0]=4 4549 B13R1.513 C[C@@H](O)COCc1cc[n+](cc1)C 34a_100009831711_100009817552 [0,1,1,0,0,0|1,0,0]=3 4550 B13R1.513 C[C@@H](O)COCc1cc[n+](cc1)[O-] 34a_100000031831_100009817552 [0,1,1,0,0,0|1,0,0]=3 4551 B13R1.513 C[C@@H](O)COCc1cc[n+](cc1)[O-] 7a_100000031831_100009817552 [0,1,1,0,0,0|1,0,0]=3 4552 B13R1.513 C[C@@H](O)COCc1ccc(=O)[nH]c1 34a_100011999846_100009817552 [0,1,1,0,0,0|1,0,0]=3 4553 B13R1.513 C[C@@H](O)COCc1ccc(cc1)Br 34a_100000695286_100009817552 [0,1,1,0,0,0|0,0,0]=2 4554 B13R1.513 C[C@@H](O)COCc1ccc(cc1)Cl 34a_100000211118_100009817552 [0,1,1,0,0,0|0,0,0]=2 4555 B13R1.513 C[C@@H](O)COCc1ccc(cc1)Cl 7a_100000211118_100009817552 [0,1,1,0,0,0|0,0,0]=2 4556 B13R1.513 C[C@@H](O)COCc1ccc(cc1)F 34a_100000210977_100009817552 [0,1,1,0,0,0|0,0,0]=2 4557 B13R1.513 C[C@@H](O)COCc1ccc(cc1)F 7a_100000210977_100009817552 [0,1,1,0,0,0|0,0,0]=2 4558 B13R1.513 C[C@@H](O)COCc1ccc(cc1)I 34a_100000690907_100009817552 [0,1,1,0,0,0|0,0,0]=2 4559 B13R1.513 C[C@@H](O)COCc1ccc(cc1)I 7a_100000690907_100009817552 [0,1,1,0,0,0|0,0,0]=2 4560 B13R1.513 C[C@@H](O)COCc1ccc(cc1)N 34a_100011215238_100009817552 [0,1,1,0,0,0|0,0,0]=2 4561 B13R1.513 C[C@@H](O)COCc1ccc(cn1)Br 34a_100000754261_100009817552 [0,1,1,0,0,0|1,0,0]=3 4562 B13R1.513 C[C@@H](O)COCc1ccc(cn1)Cl 34a_100000703999_100009817552 [0,1,1,0,0,0|1,0,0]=3 4563 B13R1.513 C[C@@H](O)COCc1ccc(cn1)F 34a_100011999454_100009817552 [0,1,1,0,0,0|1,0,0]=3 4564 B13R1.513 C[C@@H](O)COCc1ccc(cn1)N 34a_100011998161_100009817552 [0,1,1,0,0,0|1,0,0]=3 4565 B13R1.513 C[C@@H](O)COCc1ccc(nc1)Br 34a_100009816760_100009817552 [0,1,1,0,0,0|1,0,0]=3 4566 B13R1.513 C[C@@H](O)COCc1ccc(nc1)Br 7a_100009816760_100009817552 [0,1,1,0,0,0|1,0,0]=3 4567 B13R1.513 C[C@@H](O)COCc1ccc(nc1)Cl 34a_100000755211_100009817552 [0,1,1,0,0,0|1,0,0]=3 4568 B13R1.513 C[C@@H](O)COCc1ccc(nc1)Cl 7a_100000755211_100009817552 [0,1,1,0,0,0|1,0,0]=3 4569 B13R1.513 C[C@@H](O)COCc1ccc(nc1)F 34a_100000079959_100009817552 [0,1,1,0,0,0|1,0,0]=3 4570 B13R1.513 C[C@@H](O)COCc1ccc(nc1)N 34a_100000704267_100009817552 [0,1,1,0,0,0|1,0,0]=3 4571 B13R1.513 C[C@@H](O)COCc1cnc(cn1)Cl 34a_100012002382_100009817552 [0,1,1,0,0,0|2,0,0]=4 4572 B13R1.513 C[C@@H](O)COCc1cnc(nc1)Cl 34a_100009855073_100009817552 [0,1,1,0,0,0|2,0,0]=4 4573 B13R1.513 C[C@@H](O)COCc1cnc(nc1)Cl 7a_100009855073_100009817552 [0,1,1,0,0,0|2,0,0]=4 4574 B13R1.513 C[C@@H](O)CSCc1ccc(cc1)Br 62a_100000189115_100009817552 [0,1,1,0,0,0|0,1,0]=3 4575 B13R1.513 C[C@@H](O)CSCc1ccc(cc1)Br 62a_100009817552_100000189115 [0,1,1,0,0,0|0,1,0]=3 4576 B13R1.513 C[C@@H](O)CSCc1ccc(cc1)Cl 62a_100000187161_100009817552 [0,1,1,0,0,0|0,1,0]=3 4577 B13R1.513 C[C@@H](O)CSCc1ccc(cc1)Cl 62a_100009817552_100000187161 [0,1,1,0,0,0|0,1,0]=3 4578 B13R1.513 C[C@@H](O)CSCc1ccc(cc1)F 62a_100000198546_100009817552 [0,1,1,0,0,0|0,1,0]=3 4579 B13R1.513 C[C@@H](O)CSCc1ccc(cc1)F 62a_100009817552_100000187164 [0,1,1,0,0,0|0,1,0]=3 4580 B13R1.513 C[C@@H](O)CSCc1ccc(cc1)I 62a_100000189116_100009817552 [0,1,1,0,0,0|0,1,0]=3 4581 B13R1.513 C[C@@H](O)CSCc1ccc(cc1)I 62a_100009817552_100000189116 [0,1,1,0,0,0|0,1,0]=3 4582 B13R1.513 C[C@@H](O)CSCc1ccc(cn1)Br 62a_100000702658_100009817552 [0,1,1,0,0,0|1,1,0]=4 4583 B13R1.513 C[C@@H](O)CSCc1ccc(cn1)Br 62a_100009817552_100000702658 [0,1,1,0,0,0|1,1,0]=4 4584 B13R1.513 C[C@@H](O)CSCc1ccc(cn1)Cl 62a_100009817552_100000697101 [0,1,1,0,0,0|1,1,0]=4 4585 B13R1.513 C[C@@H](O)CSCc1ccc(cn1)Cl 62a_100012066911_100009817552 [0,1,1,0,0,0|1,1,0]=4 4586 B13R1.513 C[C@@H](O)CSCc1ccc(cn1)F 62a_100000703193_100009817552 [0,1,1,0,0,0|1,1,0]=4 4587 B13R1.513 C[C@@H](O)CSCc1ccc(cn1)F 62a_100009817552_100000703193 [0,1,1,0,0,0|1,1,0]=4 4588 B13R1.513 C[C@@H](O)CSCc1ccc(nc1)Br 62a_100009817552_100009831999 [0,1,1,0,0,0|1,1,0]=4 4589 B13R1.513 C[C@@H](O)CSCc1ccc(nc1)Br 62a_100009831999_100009817552 [0,1,1,0,0,0|1,1,0]=4 4590 B13R1.513 C[C@@H](O)CSCc1ccc(nc1)Cl 62a_100000735431_100009817552 [0,1,1,0,0,0|1,1,0]=4 4591 B13R1.513 C[C@@H](O)CSCc1ccc(nc1)Cl 62a_100009817552_100000735431 [0,1,1,0,0,0|1,1,0]=4 4592 B13R1.513 C[C@@H](O)CSCc1ccc(nc1)F 62a_100009817552_100000099788 [0,1,1,0,0,0|1,1,0]=4 4593 B13R1.513 C[C@@H](O)CSCc1ccc(nc1)F 62a_100009820150_100009817552 [0,1,1,0,0,0|1,1,0]=4 4594 B13R1.513 Cc1ccc(cc1)CNCC(C)C 207a_100000210953_100000211033 [0,1,1,0,0,0|2,0,0]=4 4595 B13R1.513 Cc1ccc(cc1)CNCC(C)C 2230a_100000174908_100000210760 [0,1,1,0,0,0|2,0,0]=4 4596 B13R1.513 Cc1ccc(cc1)CNCC(C)C 2230a_100000210953_100000210814 [0,1,1,0,0,0|2,0,0]=4 4597 B13R1.513 Cc1ccc(cc1)CNCC(C)C 26a_100000210953_200020625495 [0,1,1,0,0,0|2,0,0]=4 4598 B13R1.513 Cc1ccc(cc1)CNCC(C)C 270004a_100000174908_100000210432 [0,1,1,0,0,0|2,0,0]=4 4599 B13R1.513 Cc1ccc(cc1)CNCC(C)C 270004a_100000210953_100000211033 [0,1,1,0,0,0|2,0,0]=4 4600 B13R1.513 Cc1ccc(cc1)CNCC(C)C 34a_100000174908_100000210624 [0,1,1,0,0,0|2,0,0]=4 4601 B13R1.513 Cc1ccc(cc1)CNCC(C)C 34a_100000210953_100000210814 [0,1,1,0,0,0|2,0,0]=4 4602 B13R1.513 Cc1ccc(cc1)CNCC(C)O 207a_100000210904_100000211033 [0,1,1,0,0,0|1,0,0]=3 4603 B13R1.513 Cc1ccc(cc1)CNCC(C)O 2230a_100000174908_100011218427 [0,1,1,0,0,0|1,0,0]=3 4604 B13R1.513 Cc1ccc(cc1)CNCC(C)O 2230a_100000210904_100000210814 [0,1,1,0,0,0|1,0,0]=3 4605 B13R1.513 Cc1ccc(cc1)CNCC(C)O 270004a_100000210904_100000211033 [0,1,1,0,0,0|1,0,0]=3 4606 B13R1.513 Cc1ccc(cc1)CNCC(C)O 34a_100000174908_100011218427 [0,1,1,0,0,0|1,0,0]=3 4607 B13R1.513 Cc1ccc(cc1)CNCC(C)O 34a_100000210904_100000210814 [0,1,1,0,0,0|1,0,0]=3 4608 B13R1.513 Cc1ccc(cc1)CNC[C@@H](C)O 2230a_100000174908_100009817552 [0,1,1,0,0,0|1,0,0]=3 4609 B13R1.513 Cc1ccc(cc1)CNC[C@@H](C)O 34a_100000174908_100009817552 [0,1,1,0,0,0|1,0,0]=3 4610 B13R1.513 Cc1ccc(cc1)COCC(C)Br 34a_100012180447_100000210814 [0,1,1,0,0,0|1,0,0]=3 4611 B13R1.513 Cc1ccc(cc1)COCC(C)C 34a_100000210257_100000210814 [0,1,1,0,0,0|1,0,0]=3 4612 B13R1.513 Cc1ccc(cc1)COCC(C)C 34a_100011215236_100000210624 [0,1,1,0,0,0|1,0,0]=3 4613 B13R1.513 Cc1ccc(cc1)COCC(C)C 7a_100011215236_100000210760 [0,1,1,0,0,0|1,0,0]=3 4614 B13R1.513 Cc1ccc(cc1)COCC(C)F 34a_100015925927_100000210814 [0,1,1,0,0,0|1,0,0]=3 4615 B13R1.513 Cc1ccc(cc1)COCC(C)O 34a_100011215236_100011218427 [0,1,1,0,0,0|0,0,0]=2 4616 B13R1.513 Cc1ccc(cc1)COCC(C)O 7a_100011215236_100011218427 [0,1,1,0,0,0|0,0,0]=2 4617 B13R1.513 Cc1ccc(cc1)COCC(F)F 34a_100000743014_100000210814 [0,1,1,0,0,0|2,0,0]=4 4618 B13R1.513 Cc1ccc(cc1)COCC(F)F 34a_100011215236_100011934356 [0,1,1,0,0,0|2,0,0]=4 4619 B13R1.513 Cc1ccc(cc1)COCC(F)F 7a_100011215236_100011934356 [0,1,1,0,0,0|2,0,0]=4 4620 B13R1.513 Cc1ccc(cc1)COC[C@@H](C)Cl 34a_100016084084_100000210814 [0,1,1,0,0,0|1,0,0]=3 4621 B13R1.513 Cc1ccc(cc1)COC[C@@H](C)N 34a_100000737577_100000210814 [0,1,1,0,0,0|1,0,0]=3 4622 B13R1.513 Cc1ccc(cc1)COC[C@@H](C)O 34a_100011215236_100009817552 [0,1,1,0,0,0|0,0,0]=2 4623 B13R1.513 Cc1ccc(cc1)COC[C@@H](C)O 7a_100011215236_100009817552 [0,1,1,0,0,0|0,0,0]=2 4624 B13R1.513 Cc1ccc(cc1)CSCC(C)C 62a_100000210624_100000210814 [0,1,1,0,0,0|1,1,0]=4 4625 B13R1.513 Cc1ccc(cc1)CSCC(C)C 62a_100000210814_100000210760 [0,1,1,0,0,0|1,1,0]=4 4626 B13R1.513 Cc1ccc(cc1)CSCC(C)O 62a_100000210814_100011218427 [0,1,1,0,0,0|0,1,0]=3 4627 B13R1.513 Cc1ccc(cc1)CSCC(C)O 62a_100011218427_100000210814 [0,1,1,0,0,0|0,1,0]=3 4628 B13R1.513 Cc1ccc(cc1)CSC[C@@H](C)O 62a_100000210814_100009817552 [0,1,1,0,0,0|0,1,0]=3 4629 B13R1.513 Cc1ccc(cc1)CSC[C@@H](C)O 62a_100009817552_100000210814 [0,1,1,0,0,0|0,1,0]=3 4630 B13R1.513 Cc1ccc(cc1)NCCC(C)O 34a_100000124888_100012276601 [0,1,1,0,0,0|2,0,0]=4 4631 B13R1.513 Cc1ccc(cc1)OCCC(C)O 34a_100000210336_100012276601 [0,1,1,0,0,0|2,0,0]=4 4632 B13R1.513 Cc1ccc(cc1)OCCC(C)O 7a_100000210336_100012276601 [0,1,1,0,0,0|2,0,0]=4 4633 B13R1.513 Cc1ccc(cc1)SCCC(C)O 62a_100000186775_100012276601 [0,1,1,0,0,0|2,0,0]=4 4634 B13R1.513 Cc1ccc(cc1)SCCC(C)O 62a_100012276601_100000186775 [0,1,1,0,0,0|2,0,0]=4 4635 B13R1.513 Cc1ccc(cn1)CNCC(C)O 2230a_100000210904_100016987292 [0,1,1,0,0,0|2,0,0]=4 4636 B13R1.513 Cc1ccc(cn1)CNCC(C)O 270004a_100000210904_100000743784 [0,1,1,0,0,0|2,0,0]=4 4637 B13R1.513 Cc1ccc(cn1)CNCC(C)O 34a_100000210904_100016987292 [0,1,1,0,0,0|2,0,0]=4 4638 B13R1.513 Cc1ccc(cn1)CNCC(C)O 34a_100000740942_100011218427 [0,1,1,0,0,0|2,0,0]=4 4639 B13R1.513 Cc1ccc(cn1)CNC[C@@H](C)O 34a_100000740942_100009817552 [0,1,1,0,0,0|2,0,0]=4 4640 B13R1.513 Cc1ccc(cn1)COCC(C)Br 34a_100012180447_100016987292 [0,1,1,0,0,0|2,0,0]=4 4641 B13R1.513 Cc1ccc(cn1)COCC(C)C 34a_100000210257_100016987292 [0,1,1,0,0,0|2,0,0]=4 4642 B13R1.513 Cc1ccc(cn1)COCC(C)C 34a_100011248133_100000210624 [0,1,1,0,0,0|2,0,0]=4 4643 B13R1.513 Cc1ccc(cn1)COCC(C)F 34a_100015925927_100016987292 [0,1,1,0,0,0|2,0,0]=4 4644 B13R1.513 Cc1ccc(cn1)COCC(C)O 34a_100011248133_100011218427 [0,1,1,0,0,0|1,0,0]=3 4645 B13R1.513 Cc1ccc(cn1)COC[C@@H](C)Cl 34a_100016084084_100016987292 [0,1,1,0,0,0|2,0,0]=4 4646 B13R1.513 Cc1ccc(cn1)COC[C@@H](C)N 34a_100000737577_100016987292 [0,1,1,0,0,0|2,0,0]=4 4647 B13R1.513 Cc1ccc(cn1)COC[C@@H](C)O 34a_100011248133_100009817552 [0,1,1,0,0,0|1,0,0]=3 4648 B13R1.513 Cc1ccc(cn1)CSCC(C)O 62a_100011218427_100016987292 [0,1,1,0,0,0|1,1,0]=4 4649 B13R1.513 Cc1ccc(cn1)CSCC(C)O 62a_100016987292_100011218427 [0,1,1,0,0,0|1,1,0]=4 4650 B13R1.513 Cc1ccc(cn1)CSC[C@@H](C)O 62a_100009817552_100016987292 [0,1,1,0,0,0|1,1,0]=4 4651 B13R1.513 Cc1ccc(cn1)CSC[C@@H](C)O 62a_100016987292_100009817552 [0,1,1,0,0,0|1,1,0]=4 4652 B13R1.513 Cc1ccc(nc1)CNCC(C)O 207a_100000210904_100000050478 [0,1,1,0,0,0|2,0,0]=4 4653 B13R1.513 Cc1ccc(nc1)CNCC(C)O 2230a_100000210904_100000691093 [0,1,1,0,0,0|2,0,0]=4 4654 B13R1.513 Cc1ccc(nc1)CNCC(C)O 270004a_100000210904_100000050478 [0,1,1,0,0,0|2,0,0]=4 4655 B13R1.513 Cc1ccc(nc1)CNCC(C)O 34a_100000210904_100000691093 [0,1,1,0,0,0|2,0,0]=4 4656 B13R1.513 Cc1ccc(nc1)CNCC(C)O 34a_100015187455_100011218427 [0,1,1,0,0,0|2,0,0]=4 4657 B13R1.513 Cc1ccc(nc1)CNC[C@@H](C)O 34a_100015187455_100009817552 [0,1,1,0,0,0|2,0,0]=4 4658 B13R1.513 Cc1ccc(nc1)COCC(C)Br 34a_100012180447_100000691093 [0,1,1,0,0,0|2,0,0]=4 4659 B13R1.513 Cc1ccc(nc1)COCC(C)C 34a_100000210257_100000691093 [0,1,1,0,0,0|2,0,0]=4 4660 B13R1.513 Cc1ccc(nc1)COCC(C)C 34a_100012001401_100000210624 [0,1,1,0,0,0|2,0,0]=4 4661 B13R1.513 Cc1ccc(nc1)COCC(C)F 34a_100015925927_100000691093 [0,1,1,0,0,0|2,0,0]=4 4662 B13R1.513 Cc1ccc(nc1)COCC(C)O 34a_100012001401_100011218427 [0,1,1,0,0,0|1,0,0]=3 4663 B13R1.513 Cc1ccc(nc1)COC[C@@H](C)Cl 34a_100016084084_100000691093 [0,1,1,0,0,0|2,0,0]=4 4664 B13R1.513 Cc1ccc(nc1)COC[C@@H](C)N 34a_100000737577_100000691093 [0,1,1,0,0,0|2,0,0]=4 4665 B13R1.513 Cc1ccc(nc1)COC[C@@H](C)O 34a_100012001401_100009817552 [0,1,1,0,0,0|1,0,0]=3 4666 B13R1.513 Cc1ccc(nc1)CSCC(C)O 62a_100000691093_100011218427 [0,1,1,0,0,0|1,1,0]=4 4667 B13R1.513 Cc1ccc(nc1)CSCC(C)O 62a_100011218427_100000691093 [0,1,1,0,0,0|1,1,0]=4 4668 B13R1.513 Cc1ccc(nc1)CSC[C@@H](C)O 62a_100000691093_100009817552 [0,1,1,0,0,0|1,1,0]=4 4669 B13R1.513 Cc1ccc(nc1)CSC[C@@H](C)O 62a_100009817552_100000691093 [0,1,1,0,0,0|1,1,0]=4 4670 B13R1.513 Cc1cnc(cn1)COCC(C)O 34a_100011273949_100011218427 [0,1,1,0,0,0|2,0,0]=4 4671 B13R1.513 Cc1cnc(cn1)COC[C@@H](C)O 34a_100011273949_100009817552 [0,1,1,0,0,0|2,0,0]=4 4672 B13R1.513 Cc1ncc(cn1)COCC(C)O 34a_100011746891_100011218427 [0,1,1,0,0,0|2,0,0]=4 4673 B13R1.513 Cc1ncc(cn1)COC[C@@H](C)O 34a_100011746891_100009817552 [0,1,1,0,0,0|2,0,0]=4 4674 B13R1.513 FC(F)COCc1ccc(cc1)Br 34a_100000695286_100011934356 [0,1,1,0,0,0|2,0,0]=4 4675 B13R1.513 FC(F)COCc1ccc(cc1)Br 34a_100000743014_100000189115 [0,1,1,0,0,0|2,0,0]=4 4676 B13R1.513 FC(F)COCc1ccc(cc1)Cl 34a_100000211118_100011934356 [0,1,1,0,0,0|2,0,0]=4 4677 B13R1.513 FC(F)COCc1ccc(cc1)Cl 34a_100000743014_100000694040 [0,1,1,0,0,0|2,0,0]=4 4678 B13R1.513 FC(F)COCc1ccc(cc1)Cl 7a_100000211118_100011934356 [0,1,1,0,0,0|2,0,0]=4 4679 B13R1.513 FC(F)COCc1ccc(cc1)I 34a_100000690907_100011934356 [0,1,1,0,0,0|2,0,0]=4 4680 B13R1.513 FC(F)COCc1ccc(cc1)I 34a_100000743014_100000189116 [0,1,1,0,0,0|2,0,0]=4 4681 B13R1.513 FC(F)COCc1ccc(cc1)I 7a_100000690907_100011934356 [0,1,1,0,0,0|2,0,0]=4 4682 B13R1.513 Fc1ccc(cc1)COCC(F)F 34a_100000210977_100011934356 [0,1,1,0,0,0|2,0,0]=4 4683 B13R1.513 Fc1ccc(cc1)COCC(F)F 34a_100000743014_100000198546 [0,1,1,0,0,0|2,0,0]=4 4684 B13R1.513 Fc1ccc(cc1)COCC(F)F 7a_100000210977_100011934356 [0,1,1,0,0,0|2,0,0]=4 4685 B13R1.513 Nc1ccc(cc1)COCC(F)F 34a_100011215238_100011934356 [0,1,1,0,0,0|2,0,0]=4 4686 B13R1.513 [13CH3]C(=O)COCc1ccc(cc1)Br 1458a_200012349173_200025704644 [0,1,1,0,0,0|0,0,2]=4 4687 B13R1.718 C=CC(C)COCc1ccccc1 34a_100011215527_100015291786 [0,1,1,0,0,0|1,0,0]=3 4688 B13R1.718 C=CC(C)COCc1ccccc1 7a_100011215527_100000211182 [0,1,1,0,0,0|1,0,0]=3 4689 B13R1.718 C=CC(C)COCc1ccccn1 34a_100011215527_100000721315 [0,1,1,0,0,0|2,0,0]=4 4690 B13R1.718 C=CC(C)COCc1ccccn1 7a_100011215527_100000721315 [0,1,1,0,0,0|2,0,0]=4 4691 B13R1.718 C=CC(C)COCc1cccnc1 34a_100011215527_100000733263 [0,1,1,0,0,0|2,0,0]=4 4692 B13R1.718 C=CC(C)COCc1cccnc1 7a_100011215527_100000741622 [0,1,1,0,0,0|2,0,0]=4 4693 B13R1.718 C=CC(C)COCc1ccncc1 7a_100011215527_100015193705 [0,1,1,0,0,0|2,0,0]=4 4694 B13R1.718 C=CC(O)CNCc1ccccc1 2230a_100015324214_100000730141 [0,1,1,0,0,0|1,0,1]=4 4695 B13R1.718 C=CC(O)CNCc1ccccc1 34a_100015324214_100000730141 [0,1,1,0,0,0|1,0,1]=4 4696 B13R1.718 C=CC(O)COCc1ccccc1 34a_100000210790_100000730141 [0,1,1,0,0,0|0,0,1]=3 4697 B13R1.718 C=CC(O)COCc1ccccc1 7a_100000210790_100000730141 [0,1,1,0,0,0|0,0,1]=3 4698 B13R1.718 C=CC(O)CSCc1ccccc1 62a_100000211182_100000730141 [0,1,1,0,0,0|0,1,1]=4 4699 B13R1.718 C=CC(O)CSCc1ccccc1 62a_100000730141_100015291786 [0,1,1,0,0,0|0,1,1]=4 4700 B13R1.718 C=C[C@H](N)COCc1ccccc1 34a_100016989147_100015291786 [0,1,1,0,0,0|1,0,1]=4 4701 B13R1.718 CC(CCCc1ccccc1)S[13CH3] 62a_200010759516_200025704644 [0,1,1,0,0,0|1,1,0]=4 4702 B13R1.718 CC(CCCc1ccccc1)S[13CH3] 62a_200025704644_200010759516 [0,1,1,0,0,0|1,1,0]=4 4703 B13R1.718 CC(CN)COCc1ccccc1 34a_100000744482_100015291786 [0,1,1,0,0,0|1,0,0]=3 4704 B13R1.718 CC(CN)COCc1ccccn1 34a_100000744482_100000721315 [0,1,1,0,0,0|2,0,0]=4 4705 B13R1.718 CC(CN)COCc1cccnc1 34a_100000744482_100000733263 [0,1,1,0,0,0|2,0,0]=4 4706 B13R1.718 CC(CO)CNCc1ccccc1 207a_100000744482_100015611070 [0,1,1,0,0,0|1,0,0]=3 4707 B13R1.718 CC(CO)CNCc1ccccc1 34a_100000744482_100015291786 [0,1,1,0,0,0|1,0,0]=3 4708 B13R1.718 CC(CO)CNCc1ccccn1 207a_100000744482_100000209966 [0,1,1,0,0,0|2,0,0]=4 4709 B13R1.718 CC(CO)CNCc1ccccn1 34a_100000744482_100000721315 [0,1,1,0,0,0|2,0,0]=4 4710 B13R1.718 CC(CO)CNCc1cccnc1 207a_100000744482_100000209961 [0,1,1,0,0,0|2,0,0]=4 4711 B13R1.718 CC(CO)CNCc1cccnc1 34a_100000744482_100000733263 [0,1,1,0,0,0|2,0,0]=4 4712 B13R1.718 CC(CO)CNCc1ccncc1 207a_100000744482_100000186114 [0,1,1,0,0,0|2,0,0]=4 4713 B13R1.718 CC(CO)NCCc1ccccc1 2230a_100000106460_100012180447 [0,1,1,0,0,0|2,0,0]=4 4714 B13R1.718 CC(CO)NCCc1ccccc1 34a_100000106460_100012180447 [0,1,1,0,0,0|2,0,0]=4 4715 B13R1.718 CC(CO)OCCc1ccccc1 34a_100000210268_100012180447 [0,1,1,0,0,0|2,0,0]=4 4716 B13R1.718 CC(CO)OCCc1ccccc1 7a_100000210268_100012180447 [0,1,1,0,0,0|2,0,0]=4 4717 B13R1.718 CC(CO)SCCc1ccccc1 62a_100012180447_100011218657 [0,1,1,0,0,0|2,0,0]=4 4718 B13R1.718 CC(COCc1ccccc1)O[13CH3] 34a_100000764311_200025704644 [0,1,1,0,0,0|0,0,0]=2 4719 B13R1.718 CC(COCc1ccccc1)O[13CH3] 7a_100000764311_200025704644 [0,1,1,0,0,0|0,0,0]=2 4720 B13R1.718 CCC(=O)COCc1ccccc1 1458a_100000230186_100000210202 [0,1,1,0,0,0|0,0,2]=4 4721 B13R1.718 CCC(=O)COCc1ccccc1 34a_100000725409_100015291786 [0,1,1,0,0,0|0,0,2]=4 4722 B13R1.718 CCC(=O)COCc1ccccc1 7a_100000210790_100000747405 [0,1,1,0,0,0|0,0,2]=4 4723 B13R1.718 CCC(C)CNCc1ccccc1 207a_100020588543_100015611070 [0,1,1,0,0,0|2,0,0]=4 4724 B13R1.718 CCC(C)CNCc1ccccc1 2230a_100015324214_100000748023 [0,1,1,0,0,0|2,0,0]=4 4725 B13R1.718 CCC(C)CNCc1ccccc1 2230a_100020588543_100015291786 [0,1,1,0,0,0|2,0,0]=4 4726 B13R1.718 CCC(C)CNCc1ccccc1 270004a_100015324214_100000243153 [0,1,1,0,0,0|2,0,0]=4 4727 B13R1.718 CCC(C)CNCc1ccccc1 270004a_100020588543_100015611070 [0,1,1,0,0,0|2,0,0]=4 4728 B13R1.718 CCC(C)CNCc1ccccc1 34a_100015324214_100000748023 [0,1,1,0,0,0|2,0,0]=4 4729 B13R1.718 CCC(C)COCc1ccccc1 34a_100000210790_100000748023 [0,1,1,0,0,0|1,0,0]=3 4730 B13R1.718 CCC(C)COCc1ccccc1 7a_100000210790_100000748023 [0,1,1,0,0,0|1,0,0]=3 4731 B13R1.718 CCC(C)CSCc1ccccc1 62a_100000211182_100000748023 [0,1,1,0,0,0|1,1,0]=4 4732 B13R1.718 CCC(C)CSCc1ccccc1 62a_100000748023_100015291786 [0,1,1,0,0,0|1,1,0]=4 4733 B13R1.718 CCC(O)CNCc1ccccc1 207a_100011218483_100015611070 [0,1,1,0,0,0|1,0,0]=3 4734 B13R1.718 CCC(O)CNCc1ccccc1 2230a_100011218483_100015291786 [0,1,1,0,0,0|1,0,0]=3 4735 B13R1.718 CCC(O)CNCc1ccccc1 2230a_100015324214_100011218378 [0,1,1,0,0,0|1,0,0]=3 4736 B13R1.718 CCC(O)CNCc1ccccc1 270004a_100011218483_100015611070 [0,1,1,0,0,0|1,0,0]=3 4737 B13R1.718 CCC(O)CNCc1ccccc1 34a_100015324214_100011218378 [0,1,1,0,0,0|1,0,0]=3 4738 B13R1.718 CCC(O)CNCc1ccccn1 207a_100011218483_100000209966 [0,1,1,0,0,0|2,0,0]=4 4739 B13R1.718 CCC(O)CNCc1ccccn1 2230a_100011218483_100000721315 [0,1,1,0,0,0|2,0,0]=4 4740 B13R1.718 CCC(O)CNCc1ccccn1 270004a_100011218483_100000209966 [0,1,1,0,0,0|2,0,0]=4 4741 B13R1.718 CCC(O)CNCc1cccnc1 207a_100011218483_100000209961 [0,1,1,0,0,0|2,0,0]=4 4742 B13R1.718 CCC(O)CNCc1cccnc1 2230a_100011218483_100000741622 [0,1,1,0,0,0|2,0,0]=4 4743 B13R1.718 CCC(O)CNCc1cccnc1 270004a_100011218483_100000209961 [0,1,1,0,0,0|2,0,0]=4 4744 B13R1.718 CCC(O)CNCc1ccncc1 207a_100011218483_100000186114 [0,1,1,0,0,0|2,0,0]=4 4745 B13R1.718 CCC(O)CNCc1ccncc1 2230a_100011218483_100015193705 [0,1,1,0,0,0|2,0,0]=4 4746 B13R1.718 CCC(O)COCc1ccccc1 34a_100000210790_100011218378 [0,1,1,0,0,0|0,0,0]=2 4747 B13R1.718 CCC(O)COCc1ccccc1 7a_100000210790_100011218378 [0,1,1,0,0,0|0,0,0]=2 4748 B13R1.718 CCC(O)CSCc1ccccc1 62a_100000211182_100011218378 [0,1,1,0,0,0|0,1,0]=3 4749 B13R1.718 CCC(O)CSCc1ccccc1 62a_100011218378_100015291786 [0,1,1,0,0,0|0,1,0]=3 4750 B13R1.718 CCC(O)CSCc1ccccn1 62a_100000721315_100011218378 [0,1,1,0,0,0|1,1,0]=4 4751 B13R1.718 CCC(O)CSCc1ccccn1 62a_100011218378_100000721315 [0,1,1,0,0,0|1,1,0]=4 4752 B13R1.718 CCC(O)CSCc1cccnc1 62a_100000741622_100011218378 [0,1,1,0,0,0|1,1,0]=4 4753 B13R1.718 CCC(O)CSCc1cccnc1 62a_100011218378_100000741622 [0,1,1,0,0,0|1,1,0]=4 4754 B13R1.718 CCC(O)CSCc1ccncc1 62a_100011218378_100015193705 [0,1,1,0,0,0|1,1,0]=4 4755 B13R1.718 CCC(O)CSCc1ccncc1 62a_100015193705_100011218378 [0,1,1,0,0,0|1,1,0]=4 4756 B13R1.718 CCN(C)COCc1ccccc1 2230a_100000225621_100000763385 [0,1,1,0,0,0|2,0,0]=4 4757 B13R1.718 CC[C@H](C)CNCc1ccccc1 2230a_100015324214_100009816398 [0,1,1,0,0,0|2,0,0]=4 4758 B13R1.718 CC[C@H](C)CNCc1ccccc1 34a_100015324214_100009816398 [0,1,1,0,0,0|2,0,0]=4 4759 B13R1.718 CC[C@H](C)COCc1ccccc1 34a_100000210790_100009816398 [0,1,1,0,0,0|1,0,0]=3 4760 B13R1.718 CC[C@H](C)COCc1ccccc1 7a_100000210790_100009816398 [0,1,1,0,0,0|1,0,0]=3 4761 B13R1.718 CC[C@H](C)COCc1ccccc1 7a_100009816381_100000211182 [0,1,1,0,0,0|1,0,0]=3 4762 B13R1.718 CC[C@H](C)COCc1ccccn1 7a_100009816381_100000721315 [0,1,1,0,0,0|2,0,0]=4 4763 B13R1.718 CC[C@H](C)COCc1cccnc1 7a_100009816381_100000741622 [0,1,1,0,0,0|2,0,0]=4 4764 B13R1.718 CC[C@H](C)COCc1ccncc1 7a_100009816381_100015193705 [0,1,1,0,0,0|2,0,0]=4 4765 B13R1.718 CC[C@H](C)CSCc1ccccc1 62a_100000211182_100009816398 [0,1,1,0,0,0|1,1,0]=4 4766 B13R1.718 CC[C@H](C)CSCc1ccccc1 62a_100009816398_100015291786 [0,1,1,0,0,0|1,1,0]=4 4767 B13R1.718 CNC(=O)COCc1ccccc1 11a_106832991635_100000230186 [0,1,1,0,0,0|0,0,2]=4 4768 B13R1.718 CNC(=O)COCc1ccccc1 1626a_100102657272_100000230186 [0,1,1,0,0,0|0,0,2]=4 4769 B13R1.718 CNC(=O)COCc1ccccc1 240690a_100102657272_100000230186 [0,1,1,0,0,0|0,0,2]=4 4770 B13R1.718 CNC(=O)COCc1ccccc1 34a_100000210790_100000183359 [0,1,1,0,0,0|0,0,2]=4 4771 B13R1.718 CNC(=O)COCc1ccccc1 34a_100000750040_100015291786 [0,1,1,0,0,0|0,0,2]=4 4772 B13R1.718 CNC(=O)COCc1ccccc1 527a_100102657272_100000230186 [0,1,1,0,0,0|0,0,2]=4 4773 B13R1.718 CNC(=O)COCc1ccccc1 7a_100000210790_100000183359 [0,1,1,0,0,0|0,0,2]=4 4774 B13R1.718 CNC(C)CCCc1ccccc1 2230a_106832991635_200010759516 [0,1,1,0,0,0|2,0,0]=4 4775 B13R1.718 CNC(C)CCCc1ccccc1 34a_100102657272_200010759516 [0,1,1,0,0,0|2,0,0]=4 4776 B13R1.718 CNC(C)CCCc1ccccc1 7a_106832991635_200010759516 [0,1,1,0,0,0|2,0,0]=4 4777 B13R1.718 CNC(C)COCc1ccccc1 270004a_106832991635_100011215004 [0,1,1,0,0,0|1,0,0]=3 4778 B13R1.718 CNC(C)CSCc1ccccc1 270004a_106832991635_100000172147 [0,1,1,0,0,0|1,1,0]=4 4779 B13R1.718 COC(=O)COCc1ccccc1 34a_100000210790_100000747449 [0,1,1,0,0,0|0,0,2]=4 4780 B13R1.718 COC(=O)COCc1ccccc1 7a_100000210790_100000747449 [0,1,1,0,0,0|0,0,2]=4 4781 B13R1.718 COC(C)CCCc1ccccc1 34a_100138415774_200010759516 [0,1,1,0,0,0|1,0,0]=3 4782 B13R1.718 COC(C)COCc1ccccc1 34a_100000690652_100015291786 [0,1,1,0,0,0|0,0,0]=2 4783 B13R1.718 COC(C)COCc1ccccc1 34a_100000764311_200000210301 [0,1,1,0,0,0|0,0,0]=2 4784 B13R1.718 COC(C)COCc1ccccc1 7a_100000764311_200000210301 [0,1,1,0,0,0|0,0,0]=2 4785 B13R1.718 COC(C)COCc1ccccn1 34a_100000690652_100000721315 [0,1,1,0,0,0|1,0,0]=3 4786 B13R1.718 COC(C)COCc1cccnc1 34a_100000690652_100000733263 [0,1,1,0,0,0|1,0,0]=3 4787 B13R1.718 COC(C)COCc1cccnn1 34a_100000690652_100016990269 [0,1,1,0,0,0|2,0,0]=4 4788 B13R1.718 COC(C)COCc1cnccn1 34a_100000690652_100016995436 [0,1,1,0,0,0|2,0,0]=4 4789 B13R1.718 COC(C)COCc1cncnc1 34a_100000690652_100015196519 [0,1,1,0,0,0|2,0,0]=4 4790 B13R1.718 COC(C)COCc1ncccn1 34a_100000690652_100000703007 [0,1,1,0,0,0|2,0,0]=4 4791 B13R1.718 COC(C)SCCc1ccccc1 62a_100000765856_100009879195 [0,1,1,0,0,0|2,0,0]=4 4792 B13R1.718 COC(C)SCCc1ccccc1 62a_100009879195_100011218657 [0,1,1,0,0,0|2,0,0]=4 4793 B13R1.718 CO[C@H](C)CNCc1ccccc1 207a_100020591295_100015611070 [0,1,1,0,0,0|1,0,0]=3 4794 B13R1.718 CO[C@H](C)CNCc1ccccc1 2230a_100020591295_100015291786 [0,1,1,0,0,0|1,0,0]=3 4795 B13R1.718 CO[C@H](C)CNCc1ccccc1 270004a_100020591295_100015611070 [0,1,1,0,0,0|1,0,0]=3 4796 B13R1.718 CO[C@H](C)CNCc1ccccn1 207a_100020591295_100000209966 [0,1,1,0,0,0|2,0,0]=4 4797 B13R1.718 CO[C@H](C)CNCc1ccccn1 2230a_100020591295_100000721315 [0,1,1,0,0,0|2,0,0]=4 4798 B13R1.718 CO[C@H](C)CNCc1ccccn1 270004a_100020591295_100000209966 [0,1,1,0,0,0|2,0,0]=4 4799 B13R1.718 CO[C@H](C)CNCc1cccnc1 207a_100020591295_100000209961 [0,1,1,0,0,0|2,0,0]=4 4800 B13R1.718 CO[C@H](C)CNCc1cccnc1 2230a_100020591295_100000741622 [0,1,1,0,0,0|2,0,0]=4 4801 B13R1.718 CO[C@H](C)CNCc1cccnc1 270004a_100020591295_100000209961 [0,1,1,0,0,0|2,0,0]=4 4802 B13R1.718 CO[C@H](C)CNCc1ccncc1 207a_100020591295_100000186114 [0,1,1,0,0,0|2,0,0]=4 4803 B13R1.718 CO[C@H](C)CNCc1ccncc1 2230a_100020591295_100015193705 [0,1,1,0,0,0|2,0,0]=4 4804 B13R1.718 CSC(C)CCCc1ccccc1 62a_200000210301_200010759516 [0,1,1,0,0,0|1,1,0]=4 4805 B13R1.718 CSC(C)CCCc1ccccc1 62a_200010759516_200000210301 [0,1,1,0,0,0|1,1,0]=4 4806 B13R1.718 C[C@@H](CO)CNCc1ccccc1 2230a_100015324214_100000059175 [0,1,1,0,0,0|1,0,0]=3 4807 B13R1.718 C[C@@H](CO)CNCc1ccccc1 34a_100015324214_100000059175 [0,1,1,0,0,0|1,0,0]=3 4808 B13R1.718 C[C@@H](CO)COCc1ccccc1 34a_100000210790_100000059175 [0,1,1,0,0,0|0,0,0]=2 4809 B13R1.718 C[C@@H](CO)COCc1ccccc1 7a_100000210790_100000059175 [0,1,1,0,0,0|0,0,0]=2 4810 B13R1.718 C[C@@H](CO)CSCc1ccccc1 62a_100000059175_100015291786 [0,1,1,0,0,0|0,1,0]=3 4811 B13R1.718 C[C@@H](CO)CSCc1ccccc1 62a_100000211182_100000059175 [0,1,1,0,0,0|0,1,0]=3 4812 B13R1.718 C[C@@H](CO)CSCc1ccccn1 62a_100000059175_100000721315 [0,1,1,0,0,0|1,1,0]=4 4813 B13R1.718 C[C@@H](CO)CSCc1ccccn1 62a_100000721315_100000059175 [0,1,1,0,0,0|1,1,0]=4 4814 B13R1.718 C[C@@H](CO)CSCc1cccnc1 62a_100000059175_100000741622 [0,1,1,0,0,0|1,1,0]=4 4815 B13R1.718 C[C@@H](CO)CSCc1cccnc1 62a_100000741622_100000059175 [0,1,1,0,0,0|1,1,0]=4 4816 B13R1.718 C[C@@H](CO)CSCc1ccncc1 62a_100000059175_100015193705 [0,1,1,0,0,0|1,1,0]=4 4817 B13R1.718 C[C@@H](CO)CSCc1ccncc1 62a_100015193705_100000059175 [0,1,1,0,0,0|1,1,0]=4 4818 B13R1.718 C[C@H](CO)NCCc1ccccc1 2230a_100000737577_100000765856 [0,1,1,0,0,0|2,0,0]=4 4819 B13R1.718 C[C@H](CO)SCCc1ccccc1 62a_100000765856_100016084084 [0,1,1,0,0,0|2,0,0]=4 4820 B13R1.718 C[C@H](CO)SCCc1ccccc1 62a_100016084084_100011218657 [0,1,1,0,0,0|2,0,0]=4 4821 B13R1.718 ClCC(Cl)COCc1ccccc1 34a_100000033668_100015291786 [0,1,1,0,0,0|1,0,0]=3 4822 B13R1.718 ClCC(Cl)COCc1ccccn1 34a_100000033668_100000721315 [0,1,1,0,0,0|2,0,0]=4 4823 B13R1.718 ClCC(Cl)COCc1cccnc1 34a_100000033668_100000733263 [0,1,1,0,0,0|2,0,0]=4 4824 B13R1.718 NC[C@@H](F)COCc1ccccc1 34a_100015665980_100015291786 [0,1,1,0,0,0|1,0,0]=3 4825 B13R1.718 NC[C@@H](F)COCc1ccccn1 34a_100015665980_100000721315 [0,1,1,0,0,0|2,0,0]=4 4826 B13R1.718 NC[C@@H](F)COCc1cccnc1 34a_100015665980_100000733263 [0,1,1,0,0,0|2,0,0]=4 4827 B13R1.718 O=C(CF)COCc1ccccc1 1458a_100000230186_100015361967 [0,1,1,0,0,0|0,0,2]=4 4828 B13R1.718 OCC(O)CNCc1ccccc1 2230a_100015324214_100011219619 [0,1,1,0,0,0|1,0,0]=3 4829 B13R1.718 OCC(O)CNCc1ccccc1 34a_100015324214_100011219619 [0,1,1,0,0,0|1,0,0]=3 4830 B13R1.718 OCC(O)COCc1ccccc1 34a_100000210790_100011219619 [0,1,1,0,0,0|0,0,0]=2 4831 B13R1.718 OCC(O)COCc1ccccc1 7a_100000210790_100011219619 [0,1,1,0,0,0|0,0,0]=2 4832 B13R1.718 OCC(O)CSCc1ccccc1 62a_100000211182_100011219619 [0,1,1,0,0,0|0,1,0]=3 4833 B13R1.718 OCC(O)CSCc1ccccc1 62a_100011219619_100015291786 [0,1,1,0,0,0|0,1,0]=3 4834 B13R1.718 OCC(O)CSCc1ccccn1 62a_100000721315_100011219619 [0,1,1,0,0,0|1,1,0]=4 4835 B13R1.718 OCC(O)CSCc1ccccn1 62a_100011219619_100000721315 [0,1,1,0,0,0|1,1,0]=4 4836 B13R1.718 OCC(O)CSCc1cccnc1 62a_100000741622_100011219619 [0,1,1,0,0,0|1,1,0]=4 4837 B13R1.718 OCC(O)CSCc1cccnc1 62a_100011219619_100000741622 [0,1,1,0,0,0|1,1,0]=4 4838 B13R1.718 OCC(O)CSCc1ccncc1 62a_100011219619_100015193705 [0,1,1,0,0,0|1,1,0]=4 4839 B13R1.718 OCC(O)CSCc1ccncc1 62a_100015193705_100011219619 [0,1,1,0,0,0|1,1,0]=4 4840 B13R1.718 OC[C@@H](O)CNCc1ccccc1 207a_100020644852_100015611070 [0,1,1,0,0,0|1,0,0]=3 4841 B13R1.718 OC[C@@H](O)CNCc1ccccc1 2230a_100020644852_100015291786 [0,1,1,0,0,0|1,0,0]=3 4842 B13R1.718 OC[C@@H](O)CNCc1ccccn1 207a_100020644852_100000209966 [0,1,1,0,0,0|2,0,0]=4 4843 B13R1.718 OC[C@@H](O)CNCc1ccccn1 2230a_100020644852_100000721315 [0,1,1,0,0,0|2,0,0]=4 4844 B13R1.718 OC[C@@H](O)CNCc1cccnc1 207a_100020644852_100000209961 [0,1,1,0,0,0|2,0,0]=4 4845 B13R1.718 OC[C@@H](O)CNCc1cccnc1 2230a_100020644852_100000741622 [0,1,1,0,0,0|2,0,0]=4 4846 B13R1.718 OC[C@@H](O)CNCc1ccncc1 207a_100020644852_100000186114 [0,1,1,0,0,0|2,0,0]=4 4847 B13R1.718 OC[C@@H](O)CNCc1ccncc1 2230a_100020644852_100015193705 [0,1,1,0,0,0|2,0,0]=4 4848 B13R1.718 OC[C@H](F)CNCc1ccccc1 207a_100015665980_100015611070 [0,1,1,0,0,0|2,0,0]=4 4849 B13R1.718 OC[C@H](F)CNCc1ccccc1 270004a_100015665980_100015611070 [0,1,1,0,0,0|2,0,0]=4 4850 B13R1.718 OC[C@H](F)CNCc1ccccc1 34a_100015665980_100015291786 [0,1,1,0,0,0|2,0,0]=4 4851 B13R1.718 OC[C@H](O)CNCc1ccccc1 2230a_100015324214_100009815848 [0,1,1,0,0,0|1,0,0]=3 4852 B13R1.718 OC[C@H](O)CNCc1ccccc1 34a_100015324214_100009815848 [0,1,1,0,0,0|1,0,0]=3 4853 B13R1.718 OC[C@H](O)COCc1ccccc1 34a_100000210790_100009815848 [0,1,1,0,0,0|0,0,0]=2 4854 B13R1.718 OC[C@H](O)COCc1ccccc1 7a_100000210790_100009815848 [0,1,1,0,0,0|0,0,0]=2 4855 B13R1.718 OC[C@H](O)CSCc1ccccc1 62a_100000211182_100009815848 [0,1,1,0,0,0|0,1,0]=3 4856 B13R1.718 OC[C@H](O)CSCc1ccccc1 62a_100009815848_100015291786 [0,1,1,0,0,0|0,1,0]=3 4857 B13R1.718 OC[C@H](O)CSCc1ccccn1 62a_100000721315_100009815848 [0,1,1,0,0,0|1,1,0]=4 4858 B13R1.718 OC[C@H](O)CSCc1ccccn1 62a_100009815848_100000721315 [0,1,1,0,0,0|1,1,0]=4 4859 B13R1.718 OC[C@H](O)CSCc1cccnc1 62a_100000741622_100009815848 [0,1,1,0,0,0|1,1,0]=4 4860 B13R1.718 OC[C@H](O)CSCc1cccnc1 62a_100009815848_100000741622 [0,1,1,0,0,0|1,1,0]=4 4861 B13R1.718 OC[C@H](O)CSCc1ccncc1 62a_100009815848_100015193705 [0,1,1,0,0,0|1,1,0]=4 4862 B13R1.718 OC[C@H](O)CSCc1ccncc1 62a_100015193705_100009815848 [0,1,1,0,0,0|1,1,0]=4 4863 B13R1.718 O[C@@H](CF)CNCc1ccccc1 2230a_100015324214_100015614560 [0,1,1,0,0,0|1,0,0]=3 4864 B13R1.718 O[C@@H](CF)CNCc1ccccc1 34a_100015324214_100015614560 [0,1,1,0,0,0|1,0,0]=3 4865 B13R1.718 O[C@@H](CF)COCc1ccccc1 34a_100000210790_100015614560 [0,1,1,0,0,0|0,0,0]=2 4866 B13R1.718 O[C@@H](CF)COCc1ccccc1 7a_100000210790_100015614560 [0,1,1,0,0,0|0,0,0]=2 4867 B13R1.718 O[C@@H](CF)CSCc1ccccc1 62a_100000211182_100015614560 [0,1,1,0,0,0|0,1,0]=3 4868 B13R1.718 O[C@@H](CF)CSCc1ccccc1 62a_100015614560_100015291786 [0,1,1,0,0,0|0,1,0]=3 4869 B13R1.718 O[C@@H](CF)CSCc1ccccn1 62a_100000721315_100015614560 [0,1,1,0,0,0|1,1,0]=4 4870 B13R1.718 O[C@@H](CF)CSCc1ccccn1 62a_100015614560_100000721315 [0,1,1,0,0,0|1,1,0]=4 4871 B13R1.718 O[C@@H](CF)CSCc1cccnc1 62a_100000741622_100015614560 [0,1,1,0,0,0|1,1,0]=4 4872 B13R1.718 O[C@@H](CF)CSCc1cccnc1 62a_100015614560_100000741622 [0,1,1,0,0,0|1,1,0]=4 4873 B13R1.718 O[C@@H](CF)CSCc1ccncc1 62a_100015193705_100015614560 [0,1,1,0,0,0|1,1,0]=4 4874 B13R1.718 O[C@@H](CF)CSCc1ccncc1 62a_100015614560_100015193705 [0,1,1,0,0,0|1,1,0]=4 4875 B13R1.3523 CC(C)(C)CNCc1ccccc1 207a_100000743828_100015611070 [0,1,1,0,0,0|2,0,0]=4 4876 B13R1.3523 CC(C)(C)CNCc1ccccc1 2230a_100000743828_100015291786 [0,1,1,0,0,0|2,0,0]=4 4877 B13R1.3523 CC(C)(C)CNCc1ccccc1 270004a_100000743828_100015611070 [0,1,1,0,0,0|2,0,0]=4 4878 B13R1.3523 CC(C)(C)CNCc1ccccc1 270004a_100015324214_100011204126 [0,1,1,0,0,0|2,0,0]=4 4879 B13R1.3523 CC(C)(C)CNCc1ccccc1 34a_100015324214_100011219605 [0,1,1,0,0,0|2,0,0]=4 4880 B13R1.3523 CC(C)(C)COCc1ccccc1 34a_100000210790_100011219605 [0,1,1,0,0,0|1,0,0]=3 4881 B13R1.3523 CC(C)(C)CSCc1ccccc1 62a_100000211182_100011219605 [0,1,1,0,0,0|1,1,0]=4 4882 B13R1.3523 CC(C)(C)CSCc1ccccc1 62a_100011219605_100015291786 [0,1,1,0,0,0|1,1,0]=4 4883 B13R1.3523 CC(C)(F)CNCc1ccccc1 207a_100020643315_100015611070 [0,1,1,0,0,0|2,0,0]=4 4884 B13R1.3523 CC(C)(F)CNCc1ccccc1 2230a_100020643315_100015291786 [0,1,1,0,0,0|2,0,0]=4 4885 B13R1.3523 CC(C)(F)CNCc1ccccc1 270004a_100020643315_100015611070 [0,1,1,0,0,0|2,0,0]=4 4886 B13R1.3523 CC(C)(F)CNCc1ccccc1 34a_100015324214_100011997219 [0,1,1,0,0,0|2,0,0]=4 4887 B13R1.3523 CC(C)(F)COCc1ccccc1 34a_100000210790_100011997219 [0,1,1,0,0,0|1,0,0]=3 4888 B13R1.3523 CC(C)(F)COCc1ccccc1 34a_100000716592_100015291786 [0,1,1,0,0,0|1,0,0]=3 4889 B13R1.3523 CC(C)(F)COCc1ccccn1 34a_100000716592_100000721315 [0,1,1,0,0,0|2,0,0]=4 4890 B13R1.3523 CC(C)(F)COCc1cccnc1 34a_100000716592_100000733263 [0,1,1,0,0,0|2,0,0]=4 4891 B13R1.3523 CC(C)(F)CSCc1ccccc1 62a_100000211182_100011997219 [0,1,1,0,0,0|1,1,0]=4 4892 B13R1.3523 CC(C)(F)CSCc1ccccc1 62a_100011997219_100015291786 [0,1,1,0,0,0|1,1,0]=4 4893 B13R1.3523 CC(C)(O)CCNc1ccccc1 34a_100000106764_100000702414 [0,1,1,0,0,0|2,0,0]=4 4894 B13R1.3523 CC(C)(O)CCOc1ccccc1 34a_100000210340_100000702414 [0,1,1,0,0,0|2,0,0]=4 4895 B13R1.3523 CC(C)(O)CCOc1ccccc1 7a_100000210340_100000702414 [0,1,1,0,0,0|2,0,0]=4 4896 B13R1.3523 CC(C)(O)CCSc1ccccc1 62a_100000702414_100000041952 [0,1,1,0,0,0|2,0,0]=4 4897 B13R1.3523 CC(C)(O)CCSc1ccccc1 62a_100000719477_100000702414 [0,1,1,0,0,0|2,0,0]=4 4898 B13R1.3523 CC(C)(O)CNCc1ccccc1 207a_100000751335_100015611070 [0,1,1,0,0,0|1,0,0]=3 4899 B13R1.3523 CC(C)(O)CNCc1ccccc1 2230a_100000751335_100015291786 [0,1,1,0,0,0|1,0,0]=3 4900 B13R1.3523 CC(C)(O)CNCc1ccccc1 270004a_100000751335_100015611070 [0,1,1,0,0,0|1,0,0]=3 4901 B13R1.3523 CC(C)(O)CNCc1ccccc1 34a_100015324214_100000764493 [0,1,1,0,0,0|1,0,0]=3 4902 B13R1.3523 CC(C)(O)CNCc1ccccn1 207a_100000751335_100000209966 [0,1,1,0,0,0|2,0,0]=4 4903 B13R1.3523 CC(C)(O)CNCc1ccccn1 2230a_100000751335_100000721315 [0,1,1,0,0,0|2,0,0]=4 4904 B13R1.3523 CC(C)(O)CNCc1ccccn1 270004a_100000751335_100000209966 [0,1,1,0,0,0|2,0,0]=4 4905 B13R1.3523 CC(C)(O)CNCc1cccnc1 207a_100000751335_100000209961 [0,1,1,0,0,0|2,0,0]=4 4906 B13R1.3523 CC(C)(O)CNCc1cccnc1 2230a_100000751335_100000741622 [0,1,1,0,0,0|2,0,0]=4 4907 B13R1.3523 CC(C)(O)CNCc1cccnc1 270004a_100000751335_100000209961 [0,1,1,0,0,0|2,0,0]=4 4908 B13R1.3523 CC(C)(O)CNCc1ccncc1 207a_100000751335_100000186114 [0,1,1,0,0,0|2,0,0]=4 4909 B13R1.3523 CC(C)(O)CNCc1ccncc1 2230a_100000751335_100015193705 [0,1,1,0,0,0|2,0,0]=4 4910 B13R1.3523 CC(C)(O)COCc1ccccc1 34a_100000210790_100000764493 [0,1,1,0,0,0|0,0,0]=2 4911 B13R1.3523 CC(C)(O)COCc1ccccc1 7a_100000210790_100000764493 [0,1,1,0,0,0|0,0,0]=2 4912 B13R1.3523 CC(C)(O)CSCc1ccccc1 62a_100000211182_100000764493 [0,1,1,0,0,0|0,1,0]=3 4913 B13R1.3523 CC(C)(O)CSCc1ccccc1 62a_100000764493_100015291786 [0,1,1,0,0,0|0,1,0]=3 4914 B13R1.3523 CC(C)(O)CSCc1ccccn1 62a_100000721315_100000764493 [0,1,1,0,0,0|1,1,0]=4 4915 B13R1.3523 CC(C)(O)CSCc1ccccn1 62a_100000764493_100000721315 [0,1,1,0,0,0|1,1,0]=4 4916 B13R1.3523 CC(C)(O)CSCc1cccnc1 62a_100000741622_100000764493 [0,1,1,0,0,0|1,1,0]=4 4917 B13R1.3523 CC(C)(O)CSCc1cccnc1 62a_100000764493_100000741622 [0,1,1,0,0,0|1,1,0]=4 4918 B13R1.3523 CC(C)(O)CSCc1ccncc1 62a_100000764493_100015193705 [0,1,1,0,0,0|1,1,0]=4 4919 B13R1.3523 CC(C)(O)CSCc1ccncc1 62a_100015193705_100000764493 [0,1,1,0,0,0|1,1,0]=4 4920 B13R1.3523 CC(F)(F)CNCc1ccccc1 207a_100000731000_100015611070 [0,1,1,0,0,0|2,0,0]=4 4921 B13R1.3523 CC(F)(F)CNCc1ccccc1 270004a_100000731000_100015611070 [0,1,1,0,0,0|2,0,0]=4 4922 B13R1.3523 CC(F)(F)COCc1ccccc1 34a_100000068830_100015291786 [0,1,1,0,0,0|1,0,0]=3 4923 B13R1.3523 CC(F)(F)COCc1ccccn1 34a_100000068830_100000721315 [0,1,1,0,0,0|2,0,0]=4 4924 B13R1.3523 CC(F)(F)COCc1cccnc1 34a_100000068830_100000733263 [0,1,1,0,0,0|2,0,0]=4 4925 B13R1.3523 C[Si](C)(C)COCc1ccccc1 7a_100000210790_100000233785 [0,1,1,0,0,0|1,1,0]=4 4926 B13R1.3523 FC(F)(Br)COCc1ccccc1 34a_100011217949_100015291786 [0,1,1,0,0,0|2,0,0]=4 4927 B13R1.3523 FC(F)(Cl)COCc1ccccc1 34a_100000734434_100015291786 [0,1,1,0,0,0|2,0,0]=4 4928 B13R1.3523 FC(F)(F)COCc1ccccc1 34a_100000210435_100015291786 [0,1,1,0,0,0|2,0,0]=4 4929 B13R2.12 Oc1ccc(cc1)C2=NCCO2 271570a_203496583355_100009812740 [1,1,0,0,0,0|1,0,1]=4 4930 B13R2.12 Oc1ccc(cc1)C2CCCN2 271570a_203496583355_100000766735 [1,1,0,0,0,0|2,0,0]=4 4931 B13R2.12 Oc1ccc(cc1)C2OCCO2 271570a_203496583355_100009813560 [1,1,0,0,0,0|0,0,0]=2 4932 B13R2.12 Oc1ccc(nc1)C2OCCO2 271570a_203496583355_100010170810 [1,1,0,0,0,0|1,0,0]=3 4933 B13R2.13 Oc1cccc(c1)C2CCCN2 271570a_203496583355_100015187783 [1,1,0,0,0,0|2,0,0]=4 4934 B13R2.13 Oc1cccc(c1)C2OCCO2 271570a_203496583355_100009813323 [1,1,0,0,0,0|0,0,0]=2 4935 B13R2.13 Oc1ccnc(c1)C2OCCO2 271570a_203496583355_100010879467 [1,1,0,0,0,0|1,0,0]=3 4936 B13R2.13 Oc1cncc(c1)C2OCCO2 271570a_203496583355_100010134100 [1,1,0,0,0,0|1,0,0]=3 4937 B13R2.15 CN1CCCC1c2ccccc2 2230a_100000243309_200000210301 [1,1,0,0,0,0|2,0,0]=4 4938 B13R2.15 CN1CCCC1c2ccccc2 269982a_100000243309_200000210301 [1,1,0,0,0,0|2,0,0]=4 4939 B13R2.15 CN1CCCC1c2ccccc2 34a_100000243309_200000210301 [1,1,0,0,0,0|2,0,0]=4 4940 B13R2.15 CN1CCSC1c2ccccc2 2230a_100000215944_200000210301 [1,1,0,0,0,0|1,1,0]=4 4941 B13R2.15 CN1CCSC1c2ccccc2 269982a_100000215944_200000210301 [1,1,0,0,0,0|1,1,0]=4 4942 B13R2.15 CN1CCSC1c2ccccc2 34a_100000215944_200000210301 [1,1,0,0,0,0|1,1,0]=4 4943 B13R2.15 CN1CCSC1c2ccccc2 7a_100000215944_200000210301 [1,1,0,0,0,0|1,1,0]=4 4944 B13R2.15 [13CH3]N1CCCC1c2ccccc2 2230a_100000243309_200025704644 [1,1,0,0,0,0|2,0,0]=4 4945 B13R2.15 [13CH3]N1CCCC1c2ccccc2 269982a_100000243309_200025704644 [1,1,0,0,0,0|2,0,0]=4 4946 B13R2.15 [13CH3]N1CCCC1c2ccccc2 34a_100000243309_200025704644 [1,1,0,0,0,0|2,0,0]=4 4947 B13R2.15 [13CH3]N1CCSC1c2ccccc2 2230a_100000215944_200025704644 [1,1,0,0,0,0|1,1,0]=4 4948 B13R2.15 [13CH3]N1CCSC1c2ccccc2 269982a_100000215944_200025704644 [1,1,0,0,0,0|1,1,0]=4 4949 B13R2.15 [13CH3]N1CCSC1c2ccccc2 34a_100000215944_200025704644 [1,1,0,0,0,0|1,1,0]=4 4950 B13R2.15 [13CH3]N1CCSC1c2ccccc2 7a_100000215944_200025704644 [1,1,0,0,0,0|1,1,0]=4 4951 B13R2.18 Oc1ccccc1C2CCCN2 271570a_203496583355_100000686366 [1,1,0,0,0,0|2,0,0]=4 4952 B13R2.18 Oc1ccccc1C2OCCO2 271570a_203496583355_100009814316 [1,1,0,0,0,0|0,0,0]=2 4953 B13R2.52 CNC1CC(C1)c2ccccc2 270004a_106832991635_100000741317 [0,1,0,0,1,0|1,0,0]=3 4954 B13R2.52 CN[C@H]1C[C@H](C1)c2ccccc2 2230a_102125402554_200000210301 [0,1,0,0,1,0|1,0,0]=3 4955 B13R2.52 [13CH3]N[C@H]1C[C@H](C1)c2ccccc2 2230a_102125402554_200025704644 [0,1,0,0,1,0|1,0,0]=3 4956 B13R2.147 Oc1ccc(cc1)C2CC(C2)O 271570a_203496583355_200000751978 [0,1,0,0,1,0|2,0,0]=4 4957 B13R2.238 CN1CC(C1)(O)c2ccccc2 2230a_100000717221_200000210301 [0,1,0,0,1,0|2,0,0]=4 4958 B13R2.238 CN1CC(C1)(O)c2ccccc2 269982a_100000717221_200000210301 [0,1,0,0,1,0|2,0,0]=4 4959 B13R2.238 [13CH3]N1CC(C1)(O)c2ccccc2 2230a_100000717221_200025704644 [0,1,0,0,1,0|2,0,0]=4 4960 B13R2.238 [13CH3]N1CC(C1)(O)c2ccccc2 269982a_100000717221_200025704644 [0,1,0,0,1,0|2,0,0]=4 4961 B13R2.56 CCN1CCC1c2ccccc2 2230a_100000739605_100000210202 [0,1,0,0,1,0|2,0,0]=4 4962 B13R2.56 CCN1CCC1c2ccccc2 269982a_100000739605_100000204670 [0,1,0,0,1,0|2,0,0]=4 4963 B13R2.56 FCN1CCC1c2ccccc2 269982a_100000739605_100015361967 [0,1,0,0,1,0|2,0,0]=4 4964 B15R2.17 CCN1CCO[C@H](C1)c2ccccc2 2230a_100009815478_100000210202 [0,1,0,0,0,1|2,0,0]=4 4965 B15R2.17 CCN1CCO[C@H](C1)c2ccccc2 269982a_100009815478_100000204670 [0,1,0,0,0,1|2,0,0]=4 4966 B15R2.17 CCN1CCO[C@H](C1)c2ccccc2 34a_100009815478_100000210202 [0,1,0,0,0,1|2,0,0]=4 4967 B15R2.17 CNC1CCCC(C1)c2ccccc2 270004a_106832991635_100000718469 [0,1,0,0,0,1|2,0,0]=4 4968 B15R2.17 CNC1CCOC(C1)c2ccccc2 270004a_106832991635_100011986434 [0,1,0,0,0,1|1,0,0]=3 4969 B15R2.17 COC1CCOC(C1)c2ccccc2 34a_100000692292_200000210301 [0,1,0,0,0,1|1,0,0]=3 4970 B15R2.17 COC1CCOC(C1)c2ccccc2 7a_100000692292_200000210301 [0,1,0,0,0,1|1,0,0]=3 4971 B15R2.17 FCN1CCO[C@H](C1)c2ccccc2 269982a_100009815478_100015361967 [0,1,0,0,0,1|2,0,0]=4 4972 B15R2.17 FCN1CCO[C@H](C1)c2ccccc2 34a_100009815478_100015361967 [0,1,0,0,0,1|2,0,0]=4 4973 B15R2.17 [13CH3]OC1CCOC(C1)c2ccccc2 34a_100000692292_200025704644 [0,1,0,0,0,1|1,0,0]=3 4974 B15R2.17 [13CH3]OC1CCOC(C1)c2ccccc2 7a_100000692292_200025704644 [0,1,0,0,0,1|1,0,0]=3 4975 B15R2.28 CN1CCOC(C1)c2ccc(cc2)Br 2230a_100000745233_200000210301 [0,1,0,0,0,1|2,0,0]=4 4976 B15R2.28 CN1CCOC(C1)c2ccc(cc2)Br 269982a_100000745233_200000210301 [0,1,0,0,0,1|2,0,0]=4 4977 B15R2.28 CN1CCOC(C1)c2ccc(cc2)Br 34a_100000745233_200000210301 [0,1,0,0,0,1|2,0,0]=4 4978 B15R2.28 [13CH3]N1CCOC(C1)c2ccc(cc2)Br 2230a_100000745233_200025704644 [0,1,0,0,0,1|2,0,0]=4 4979 B15R2.28 [13CH3]N1CCOC(C1)c2ccc(cc2)Br 269982a_100000745233_200025704644 [0,1,0,0,0,1|2,0,0]=4 4980 B15R2.28 [13CH3]N1CCOC(C1)c2ccc(cc2)Br 34a_100000745233_200025704644 [0,1,0,0,0,1|2,0,0]=4 4981 B15R2.1 CNC1CCC(CC1)c2ccccc2 270004a_106832991635_100000184041 [0,1,0,0,0,1|2,0,0]=4 4982 B15R2.1 CNC1CCC(CC1)c2ccccc2 34a_100000737527_200000210301 [0,1,0,0,0,1|2,0,0]=4 4983 B15R2.1 CO[C@H]1CC[C@H](CC1)c2ccccc2 34a_100116294895_200000210301 [0,1,0,0,0,1|2,0,0]=4 4984 B15R2.1 CO[C@H]1CC[C@H](CC1)c2ccccc2 7a_100116294895_200000210301 [0,1,0,0,0,1|2,0,0]=4 4985 B15R2.1 CO[C@H]1CO[C@H](OC1)c2ccccc2 34a_100015291175_200000210301 [0,1,0,0,0,1|0,0,0]=2 4986 B15R2.1 CO[C@H]1CO[C@H](OC1)c2ccccc2 7a_100015291175_200000210301 [0,1,0,0,0,1|0,0,0]=2 4987 B15R2.1 [13CH3]NC1CCC(CC1)c2ccccc2 34a_100000737527_200025704644 [0,1,0,0,0,1|2,0,0]=4 4988 B15R2.1 [13CH3]O[C@H]1CC[C@H](CC1)c2ccccc2 34a_100116294895_200025704644 [0,1,0,0,0,1|2,0,0]=4 4989 B15R2.1 [13CH3]O[C@H]1CC[C@H](CC1)c2ccccc2 7a_100116294895_200025704644 [0,1,0,0,0,1|2,0,0]=4 4990 B15R2.1 [13CH3]O[C@H]1CO[C@H](OC1)c2ccccc2 34a_100015291175_200025704644 [0,1,0,0,0,1|0,0,0]=2 4991 B15R2.1 [13CH3]O[C@H]1CO[C@H](OC1)c2ccccc2 7a_100015291175_200025704644 [0,1,0,0,0,1|0,0,0]=2 4992 B15R2.59 CN(C)C1CCC(C1)c2ccccc2 270004a_100102631434_100000750937 [0,2,0,0,0,0|2,0,0]=4 4993 B15R2.66 CCNC1CCC(C1)c2ccccc2 270004a_100015525214_100000750937 [0,2,0,0,0,0|2,0,0]=4 4994 B15R2.66 CNCC1COC(O1)c2ccccc2 7a_106832991635_100011996486 [0,2,0,0,0,0|0,0,0]=2 4995 B15R2.66 CSCC1COC(O1)c2ccccc2 62a_200000210301_100011996486 [0,2,0,0,0,0|0,0,0]=2 4996 B15R2.66 [13CH3]SCC1COC(O1)c2ccccc2 62a_200025704644_100011996486 [0,2,0,0,0,0|0,0,0]=2 4997 B15R2.2 C=Cc1ccc(cc1)C2OCC(O2)C 271570a_100011290941_200010007801 [0,2,0,0,0,0|0,0,0]=2 4998 B15R2.2 CC1COC(O1)c2ccc(cc2)S[13CH3] 62a_200025704644_200010007801 [0,2,0,0,0,0|0,0,0]=2 4999 B15R2.2 CSc1ccc(cc1)C2OCC(O2)C 62a_200000210301_200010007801 [0,2,0,0,0,0|0,0,0]=2 5000 B15R2.18934 CC1(COC(=N1)c2ccc(cc2)O)C 271570a_203496583355_100009998103 [0,2,0,0,0,0|1,0,1]=4 5001 B15R2.65026 CC1(COC(=N1)c2cccc(c2)O)C 271570a_203496583355_100010002488 [0,2,0,0,0,0|1,0,1]=4 5002 B15R2.7474 CC1(COC(=N1)c2ccccc2O)C 271570a_203496583355_100000695370 [0,2,0,0,0,0|1,0,1]=4 5003 B11R0.147 C=CC=CC(=O)CCCC(C)O 1458a_100016291481_200000718107 [0,0,2,0,0,0|2,0,0]=4 5004 B13R2.1 CCNC1CCc2c1cccc2 2230a_100015525214_200000721974 [0,0,1,1,0,0|2,0,0]=4 5005 B13R2.1 CCNC1CCc2c1cccc2 269862a_100015525214_100000212051 [0,0,1,1,0,0|2,0,0]=4 5006 B13R2.1 CCN[C@H]1CCc2c1cccc2 2230a_100016989578_100000210202 [0,0,1,1,0,0|2,0,0]=4 5007 B13R2.1 CCN[C@H]1CCc2c1cccc2 34a_100016989578_100000210202 [0,0,1,1,0,0|2,0,0]=4 5008 B13R2.1 CCOC1CCc2c1cccc2 34a_100000212247_100000210202 [0,0,1,1,0,0|1,0,0]=3 5009 B13R2.1 CCOC1CCc2c1cccc2 7a_100000212247_100000210202 [0,0,1,1,0,0|1,0,0]=3 5010 B13R2.1 CCSC1CCc2c1cccc2 62a_100000210202_200000721974 [0,0,1,1,0,0|1,1,0]=4 5011 B13R2.1 FCOC1CCc2c1cccc2 34a_100000212247_100015361967 [0,0,1,1,0,0|2,0,0]=4 5012 B13R2.1 FCOC1CCc2c1cccc2 7a_100000212247_100015361967 [0,0,1,1,0,0|2,0,0]=4 5013 B13R2.3 C1=C(OCCC1)c2ccccc2 271570a_100010177797_100000210277 [0,0,1,1,0,0|1,0,1]=4 5014 B13R2.453 CCNC1(CC1)c2ccccc2 2230a_100000749958_100000210202 [0,0,1,1,0,0|2,0,0]=4 5015 B13R2.679 CNC(c1ccccc1)C2CC2 2230a_100000735078_200000210301 [0,0,1,1,0,0|2,0,0]=4 5016 B13R2.679 CNC(c1ccccc1)C2CC2 269862a_106832991636_100011218604 [0,0,1,1,0,0|2,0,0]=4 5017 B13R2.679 CNC(c1ccccc1)C2CC2 34a_100000735078_200000210301 [0,0,1,1,0,0|2,0,0]=4 5018 B13R2.679 COC(c1ccccc1)C2CC2 34a_100011215866_200000210301 [0,0,1,1,0,0|1,0,0]=3 5019 B13R2.679 COC(c1ccccc1)C2CC2 7a_100011215866_200000210301 [0,0,1,1,0,0|1,0,0]=3 5020 B13R2.679 COC(c1cccnc1)C2CC2 34a_100011376212_200000210301 [0,0,1,1,0,0|2,0,0]=4 5021 B13R2.679 COC(c1cccnc1)C2CC2 7a_100011376212_200000210301 [0,0,1,1,0,0|2,0,0]=4 5022 B13R2.679 [13CH3]NC(c1ccccc1)C2CC2 2230a_100000735078_200025704644 [0,0,1,1,0,0|2,0,0]=4 5023 B13R2.679 [13CH3]NC(c1ccccc1)C2CC2 34a_100000735078_200025704644 [0,0,1,1,0,0|2,0,0]=4 5024 B13R2.679 [13CH3]OC(c1ccccc1)C2CC2 34a_100011215866_200025704644 [0,0,1,1,0,0|1,0,0]=3 5025 B13R2.679 [13CH3]OC(c1ccccc1)C2CC2 7a_100011215866_200025704644 [0,0,1,1,0,0|1,0,0]=3 5026 B13R2.679 [13CH3]OC(c1cccnc1)C2CC2 34a_100011376212_200025704644 [0,0,1,1,0,0|2,0,0]=4 5027 B13R2.679 [13CH3]OC(c1cccnc1)C2CC2 7a_100011376212_200025704644 [0,0,1,1,0,0|2,0,0]=4 5028 B13R2.1613 CNC1CCCc2c1cccc2 269862a_106832991636_100000210882 [0,0,1,1,0,0|2,0,0]=4 5029 B13R2.1613 CN[C@H]1CCCc2c1cccc2 34a_100020654734_200000210301 [0,0,1,1,0,0|2,0,0]=4 5030 B13R2.1613 COC1CCCc2c1cccc2 34a_100000183665_200000210301 [0,0,1,1,0,0|1,0,0]=3 5031 B13R2.1613 COC1CCCc2c1cccc2 7a_100000183665_200000210301 [0,0,1,1,0,0|1,0,0]=3 5032 B13R2.1613 COC1CCOc2c1cccc2 7a_100000708930_200000210301 [0,0,1,1,0,0|2,0,0]=4 5033 B13R2.1613 COC1COCc2c1cccc2 34a_100012179175_200000210301 [0,0,1,1,0,0|2,0,0]=4 5034 B13R2.1613 [13CH3]N[C@H]1CCCc2c1cccc2 34a_100020654734_200025704644 [0,0,1,1,0,0|2,0,0]=4 5035 B13R2.1613 [13CH3]OC1CCCc2c1cccc2 34a_100000183665_200025704644 [0,0,1,1,0,0|1,0,0]=3 5036 B13R2.1613 [13CH3]OC1CCCc2c1cccc2 7a_100000183665_200025704644 [0,0,1,1,0,0|1,0,0]=3 5037 B13R2.1613 [13CH3]OC1CCOc2c1cccc2 7a_100000708930_200025704644 [0,0,1,1,0,0|2,0,0]=4 5038 B13R2.1613 [13CH3]OC1COCc2c1cccc2 34a_100012179175_200025704644 [0,0,1,1,0,0|2,0,0]=4 5039 B13R2.2539 CNC1(CCC1)c2ccccc2 2230a_100000734848_200000210301 [0,0,1,1,0,0|2,0,0]=4 5040 B13R2.2539 COC1(COC1)c2ccccc2 7a_100009829368_200000210301 [0,0,1,1,0,0|2,0,0]=4 5041 B13R2.2539 [13CH3]NC1(CCC1)c2ccccc2 2230a_100000734848_200025704644 [0,0,1,1,0,0|2,0,0]=4 5042 B13R2.2539 [13CH3]OC1(COC1)c2ccccc2 7a_100009829368_200025704644 [0,0,1,1,0,0|2,0,0]=4 5043 B13R2.2931 CNC1CC(c2c1cccc2)C 269862a_106832991636_100000750356 [0,0,1,1,0,0|2,0,0]=4 5044 B13R2.17 F[C@@H]1C[C@H]1NCc2ccccc2 2230a_100025746932_100015291786 [0,0,1,1,0,0|2,0,0]=4 5045 B13R2.17 F[C@@H]1C[C@H]1NCc2ccccc2 34a_100025746932_100015291786 [0,0,1,1,0,0|2,0,0]=4 5046 B13R2.17 F[C@H]1C[C@H]1NCc2ccccc2 2230a_100015190264_100015291786 [0,0,1,1,0,0|2,0,0]=4 5047 B13R2.27 CC1CCN1Cc2ccccc2 269982a_100000755817_100000211182 [0,0,1,1,0,0|2,0,0]=4 5048 B13R2.27 CC1CCN1Cc2ccccc2 34a_100000755817_100015291786 [0,0,1,1,0,0|2,0,0]=4 5049 B13R2.57 COC1Cc2ccccc2CO1 34a_200000095866_200000210301 [0,0,1,1,0,0|2,0,0]=4 5050 B13R2.57 [13CH3]OC1Cc2ccccc2CO1 34a_200000095866_200025704644 [0,0,1,1,0,0|2,0,0]=4 5051 B13R2.2383 c1cc(ccn1)CNC2COC2 207a_100016991112_100000186114 [0,0,1,1,0,0|2,0,0]=4 5052 B13R2.2383 c1cc(ccn1)CNC2COC2 2230a_100016991112_100015193705 [0,0,1,1,0,0|2,0,0]=4 5053 B13R2.2383 c1cc(ccn1)COC2CSC2 7a_100000072292_100015193705 [0,0,1,1,0,0|1,1,0]=4 5054 B13R2.2383 c1cc(ccn1)CSC2COC2 62a_100015193705_100009818527 [0,0,1,1,0,0|1,1,0]=4 5055 B13R2.2383 c1ccc(cc1)CNC2CCC2 2230a_100000749019_100015291786 [0,0,1,1,0,0|2,0,0]=4 5056 B13R2.2383 c1ccc(cc1)CNC2CCC2 270004a_100015324214_100000241760 [0,0,1,1,0,0|2,0,0]=4 5057 B13R2.2383 c1ccc(cc1)CNC2CCC2 34a_100000749019_100015291786 [0,0,1,1,0,0|2,0,0]=4 5058 B13R2.2383 c1ccc(cc1)CNC2CCC2 34a_100015324214_100000749161 [0,0,1,1,0,0|2,0,0]=4 5059 B13R2.2383 c1ccc(cc1)CNC2COC2 207a_100016991112_100015611070 [0,0,1,1,0,0|1,0,0]=3 5060 B13R2.2383 c1ccc(cc1)CNC2COC2 2230a_100016991112_100015291786 [0,0,1,1,0,0|1,0,0]=3 5061 B13R2.2383 c1ccc(cc1)CNC2COC2 270004a_100016991112_100015611070 [0,0,1,1,0,0|1,0,0]=3 5062 B13R2.2383 c1ccc(cc1)CNC2COC2 34a_100015324214_100009818527 [0,0,1,1,0,0|1,0,0]=3 5063 B13R2.2383 c1ccc(cc1)CNC2CSC2 207a_100016994217_100015611070 [0,0,1,1,0,0|1,1,0]=4 5064 B13R2.2383 c1ccc(cc1)CNC2CSC2 270004a_100016994217_100015611070 [0,0,1,1,0,0|1,1,0]=4 5065 B13R2.2383 c1ccc(cc1)COC2CCC2 34a_100000210790_100000749161 [0,0,1,1,0,0|1,0,0]=3 5066 B13R2.2383 c1ccc(cc1)COC2CCC2 34a_100000748187_100015291786 [0,0,1,1,0,0|1,0,0]=3 5067 B13R2.2383 c1ccc(cc1)COC2COC2 34a_100000210790_100009818527 [0,0,1,1,0,0|0,0,0]=2 5068 B13R2.2383 c1ccc(cc1)COC2COC2 7a_100000210790_100009818527 [0,0,1,1,0,0|0,0,0]=2 5069 B13R2.2383 c1ccc(cc1)COC2CSC2 7a_100000072292_100000211182 [0,0,1,1,0,0|0,1,0]=3 5070 B13R2.2383 c1ccc(cc1)CSC2CCC2 62a_100000211182_100000749161 [0,0,1,1,0,0|1,1,0]=4 5071 B13R2.2383 c1ccc(cc1)CSC2COC2 62a_100000211182_100009818527 [0,0,1,1,0,0|0,1,0]=3 5072 B13R2.2383 c1ccc(cc1)NCC2COC2 34a_100000106764_100010264016 [0,0,1,1,0,0|2,0,0]=4 5073 B13R2.2383 c1ccc(cc1)OCC2COC2 34a_100000210340_100010264016 [0,0,1,1,0,0|2,0,0]=4 5074 B13R2.2383 c1ccc(cc1)OCC2COC2 7a_100000210340_100010264016 [0,0,1,1,0,0|2,0,0]=4 5075 B13R2.2383 c1ccc(cc1)SCC2COC2 62a_100000719477_100010264016 [0,0,1,1,0,0|2,0,0]=4 5076 B13R2.2383 c1ccc(cc1)SCC2COC2 62a_100010264016_100000041952 [0,0,1,1,0,0|2,0,0]=4 5077 B13R2.2383 c1ccc(nc1)CNC2COC2 207a_100016991112_100000209966 [0,0,1,1,0,0|2,0,0]=4 5078 B13R2.2383 c1ccc(nc1)CNC2COC2 2230a_100016991112_100000721315 [0,0,1,1,0,0|2,0,0]=4 5079 B13R2.2383 c1ccc(nc1)CNC2COC2 270004a_100016991112_100000209966 [0,0,1,1,0,0|2,0,0]=4 5080 B13R2.2383 c1ccc(nc1)COC2CCC2 34a_100000748187_100000721315 [0,0,1,1,0,0|2,0,0]=4 5081 B13R2.2383 c1ccc(nc1)COC2CSC2 7a_100000072292_100000721315 [0,0,1,1,0,0|1,1,0]=4 5082 B13R2.2383 c1ccc(nc1)CSC2COC2 62a_100000721315_100009818527 [0,0,1,1,0,0|1,1,0]=4 5083 B13R2.2383 c1cncc(c1)CNC2COC2 207a_100016991112_100000209961 [0,0,1,1,0,0|2,0,0]=4 5084 B13R2.2383 c1cncc(c1)CNC2COC2 2230a_100016991112_100000741622 [0,0,1,1,0,0|2,0,0]=4 5085 B13R2.2383 c1cncc(c1)CNC2COC2 270004a_100016991112_100000209961 [0,0,1,1,0,0|2,0,0]=4 5086 B13R2.2383 c1cncc(c1)COC2CCC2 34a_100000748187_100000733263 [0,0,1,1,0,0|2,0,0]=4 5087 B13R2.2383 c1cncc(c1)COC2CSC2 7a_100000072292_100000741622 [0,0,1,1,0,0|1,1,0]=4 5088 B13R2.2383 c1cncc(c1)CSC2COC2 62a_100000741622_100009818527 [0,0,1,1,0,0|1,1,0]=4 5089 B13R2.3203 CC1(CC1)NCc2ccccc2 207a_100000757604_100015611070 [0,0,1,1,0,0|2,0,0]=4 5090 B13R2.3203 CC1(CC1)NCc2ccccc2 2230a_100000757604_100015291786 [0,0,1,1,0,0|2,0,0]=4 5091 B13R2.3203 CC1(CC1)OCc2ccccc2 7a_100011725673_100000211182 [0,0,1,1,0,0|1,0,0]=3 5092 B13R2.3203 CC1(CC1)OCc2ccccn2 7a_100011725673_100000721315 [0,0,1,1,0,0|2,0,0]=4 5093 B13R2.3203 CC1(CC1)OCc2cccnc2 7a_100011725673_100000741622 [0,0,1,1,0,0|2,0,0]=4 5094 B13R2.3203 CC1(CC1)OCc2ccncc2 7a_100011725673_100015193705 [0,0,1,1,0,0|2,0,0]=4 5095 B13R2.3203 CC1(CO1)CNc2ccccc2 34a_100000106764_100000760498 [0,0,1,1,0,0|2,0,0]=4 5096 B13R2.3203 CC1(CO1)COc2ccccc2 34a_100000210340_100000760498 [0,0,1,1,0,0|2,0,0]=4 5097 B13R2.3203 CC1(CO1)CSc2ccccc2 62a_100000719477_100000760498 [0,0,1,1,0,0|2,0,0]=4 5098 B13R2.3203 CC1(CO1)CSc2ccccc2 62a_100000760498_100000041952 [0,0,1,1,0,0|2,0,0]=4 5099 B13R2.25 COCC1OC1c2ccccc2 34a_100000032844_200000210301 [0,0,1,1,0,0|2,0,0]=4 5100 B13R2.25 COCC1OC1c2ccccc2 7a_100000032844_200000210301 [0,0,1,1,0,0|2,0,0]=4 5101 B13R2.25 [13CH3]OCC1OC1c2ccccc2 34a_100000032844_200025704644 [0,0,1,1,0,0|2,0,0]=4 5102 B13R2.25 [13CH3]OCC1OC1c2ccccc2 7a_100000032844_200025704644 [0,0,1,1,0,0|2,0,0]=4 5103 B13R2.690 CC(NC1CC1)c2ccccc2 34a_100000212008_100000211855 [0,0,1,1,0,0|2,0,0]=4 5104 B13R2.690 CC(SC1CC1)c2ccccc2 62a_100000230085_100000211595 [0,0,1,1,0,0|1,1,0]=4 5105 B13R2.690 C[C@@H](OC1CC1)c2ccccc2 34a_100000761318_100000211595 [0,0,1,1,0,0|1,0,0]=3 5106 B13R2.1028 CCCSC1Cc2c1cccc2 62a_100000210303_100009813401 [0,0,1,1,0,0|1,1,0]=4 5107 B13R2.1028 CCCSC1Cc2c1cccc2 62a_100009813401_100000210303 [0,0,1,1,0,0|1,1,0]=4 5108 B13R2.8137 CC(c1ccccc1)N2CCC2 269982a_100000754969_100000230085 [0,0,1,1,0,0|2,0,0]=4 5109 B13R2.5881 CC(C)SC1Cc2c1cccc2 62a_100000210206_100009813401 [0,0,1,1,0,0|1,1,0]=4 5110 B13R2.5881 CC(C)SC1Cc2c1cccc2 62a_100009813401_100000210206 [0,0,1,1,0,0|1,1,0]=4 5111 B13R2.31 CC1CN(C1)Cc2ccccc2 2230a_100000702820_100015291786 [0,0,1,1,0,0|2,0,0]=4 5112 B13R2.31 CC1CN(C1)Cc2ccccc2 269982a_100000702820_100000211182 [0,0,1,1,0,0|2,0,0]=4 5113 B13R2.31 CC1CN(C1)Cc2ccccc2 270004a_100000702820_100015611070 [0,0,1,1,0,0|2,0,0]=4 5114 B13R2.31 CC1CN(C1)Cc2ccccc2 34a_100000702820_100015291786 [0,0,1,1,0,0|2,0,0]=4 5115 B13R2.31 FC1CN(C1)Cc2ccccc2 2230a_100000690557_100015291786 [0,0,1,1,0,0|2,0,0]=4 5116 B13R2.31 FC1CN(C1)Cc2ccccc2 269982a_100000690557_100000211182 [0,0,1,1,0,0|2,0,0]=4 5117 B13R2.31 FC1CN(C1)Cc2ccccc2 270004a_100000690557_100015611070 [0,0,1,1,0,0|2,0,0]=4 5118 B13R2.31 FC1CN(C1)Cc2ccccc2 34a_100000690557_100015291786 [0,0,1,1,0,0|2,0,0]=4 5119 B13R2.31 OC1CN(C1)Cc2ccccc2 269982a_100000749847_100000211182 [0,0,1,1,0,0|1,0,0]=3 5120 B13R2.31 OC1CN(C1)Cc2ccccn2 269982a_100000749847_100000721315 [0,0,1,1,0,0|2,0,0]=4 5121 B13R2.31 OC1CN(C1)Cc2cccnc2 269982a_100000749847_100000733263 [0,0,1,1,0,0|2,0,0]=4 5122 B13R2.31 OC1CN(C1)Cc2ccncc2 269982a_100000749847_100015193705 [0,0,1,1,0,0|2,0,0]=4 5123 B13R2.2382 c1cc(ccn1)CSCC2CO2 62a_100015193705_102125554688 [0,0,1,1,0,0|1,1,0]=4 5124 B13R2.2382 c1cc(ccn1)CSCC2CO2 62a_102125554688_100015193705 [0,0,1,1,0,0|1,1,0]=4 5125 B13R2.2382 c1cc(ccn1)CSC[C@@H]2CO2 62a_100000745022_100015193705 [0,0,1,1,0,0|1,1,0]=4 5126 B13R2.2382 c1cc(ccn1)CSC[C@@H]2CO2 62a_100015193705_100000745022 [0,0,1,1,0,0|1,1,0]=4 5127 B13R2.2382 c1ccc(cc1)CNCC2CC2 207a_100000735609_100015611070 [0,0,1,1,0,0|2,0,0]=4 5128 B13R2.2382 c1ccc(cc1)CNCC2CC2 2230a_100000735609_100015291786 [0,0,1,1,0,0|2,0,0]=4 5129 B13R2.2382 c1ccc(cc1)CNCC2CC2 2230a_100015324214_100000742324 [0,0,1,1,0,0|2,0,0]=4 5130 B13R2.2382 c1ccc(cc1)CNCC2CC2 269862a_100015324214_100000741477 [0,0,1,1,0,0|2,0,0]=4 5131 B13R2.2382 c1ccc(cc1)CNCC2CC2 270004a_100000735609_100015611070 [0,0,1,1,0,0|2,0,0]=4 5132 B13R2.2382 c1ccc(cc1)CNCC2CC2 34a_100000735609_100015291786 [0,0,1,1,0,0|2,0,0]=4 5133 B13R2.2382 c1ccc(cc1)CNCC2CC2 34a_100015324214_100000742324 [0,0,1,1,0,0|2,0,0]=4 5134 B13R2.2382 c1ccc(cc1)CNCC2CO2 2230a_100015324214_100011216344 [0,0,1,1,0,0|1,0,0]=3 5135 B13R2.2382 c1ccc(cc1)CNCC2CO2 34a_100015324214_102125554688 [0,0,1,1,0,0|1,0,0]=3 5136 B13R2.2382 c1ccc(cc1)COCC2CC2 34a_100000210790_100000742324 [0,0,1,1,0,0|1,0,0]=3 5137 B13R2.2382 c1ccc(cc1)COCC2CC2 34a_100000211283_100015291786 [0,0,1,1,0,0|1,0,0]=3 5138 B13R2.2382 c1ccc(cc1)COCC2CC2 7a_100000210790_100000742324 [0,0,1,1,0,0|1,0,0]=3 5139 B13R2.2382 c1ccc(cc1)COCC2CO2 34a_100000210790_102125554688 [0,0,1,1,0,0|0,0,0]=2 5140 B13R2.2382 c1ccc(cc1)COCC2CO2 7a_100000210790_102125554688 [0,0,1,1,0,0|0,0,0]=2 5141 B13R2.2382 c1ccc(cc1)COCC2CS2 7a_100000210790_100000031435 [0,0,1,1,0,0|0,1,0]=3 5142 B13R2.2382 c1ccc(cc1)COC[C@@H]2CO2 34a_100000757423_100015291786 [0,0,1,1,0,0|0,0,0]=2 5143 B13R2.2382 c1ccc(cc1)COC[C@@H]2CO2 7a_100000210790_100000745022 [0,0,1,1,0,0|0,0,0]=2 5144 B13R2.2382 c1ccc(cc1)CSCC2CC2 62a_100000211182_100000742324 [0,0,1,1,0,0|1,1,0]=4 5145 B13R2.2382 c1ccc(cc1)CSCC2CC2 62a_100000756562_100015291786 [0,0,1,1,0,0|1,1,0]=4 5146 B13R2.2382 c1ccc(cc1)CSCC2CO2 62a_100000211182_102125554688 [0,0,1,1,0,0|0,1,0]=3 5147 B13R2.2382 c1ccc(cc1)CSCC2CO2 62a_102125554688_100015291786 [0,0,1,1,0,0|0,1,0]=3 5148 B13R2.2382 c1ccc(cc1)CSCC2CS2 62a_100000031435_100015291786 [0,0,1,1,0,0|0,2,0]=4 5149 B13R2.2382 c1ccc(cc1)CSCC2CS2 62a_100000211182_100000031435 [0,0,1,1,0,0|0,2,0]=4 5150 B13R2.2382 c1ccc(cc1)CSC[C@@H]2CO2 62a_100000211182_100000745022 [0,0,1,1,0,0|0,1,0]=3 5151 B13R2.2382 c1ccc(cc1)CSC[C@@H]2CO2 62a_100000745022_100015291786 [0,0,1,1,0,0|0,1,0]=3 5152 B13R2.2382 c1ccc(cc1)NCCC2CO2 34a_100000106764_100000732470 [0,0,1,1,0,0|2,0,0]=4 5153 B13R2.2382 c1ccc(cc1)OCCC2CO2 34a_100000210340_100000732470 [0,0,1,1,0,0|2,0,0]=4 5154 B13R2.2382 c1ccc(cc1)OCCC2CO2 7a_100000210340_100000732470 [0,0,1,1,0,0|2,0,0]=4 5155 B13R2.2382 c1ccc(cc1)SCCC2CO2 62a_100000719477_100000732470 [0,0,1,1,0,0|2,0,0]=4 5156 B13R2.2382 c1ccc(cc1)SCCC2CO2 62a_100000732470_100000041952 [0,0,1,1,0,0|2,0,0]=4 5157 B13R2.2382 c1ccc(nc1)COCC2CC2 34a_100000211283_100000721315 [0,0,1,1,0,0|2,0,0]=4 5158 B13R2.2382 c1ccc(nc1)COC[C@@H]2CO2 34a_100000757423_100000721315 [0,0,1,1,0,0|1,0,0]=3 5159 B13R2.2382 c1ccc(nc1)CSCC2CO2 62a_100000721315_102125554688 [0,0,1,1,0,0|1,1,0]=4 5160 B13R2.2382 c1ccc(nc1)CSCC2CO2 62a_102125554688_100000721315 [0,0,1,1,0,0|1,1,0]=4 5161 B13R2.2382 c1ccc(nc1)CSC[C@@H]2CO2 62a_100000721315_100000745022 [0,0,1,1,0,0|1,1,0]=4 5162 B13R2.2382 c1ccc(nc1)CSC[C@@H]2CO2 62a_100000745022_100000721315 [0,0,1,1,0,0|1,1,0]=4 5163 B13R2.2382 c1cnc(cn1)COC[C@@H]2CO2 34a_100000757423_100016995436 [0,0,1,1,0,0|2,0,0]=4 5164 B13R2.2382 c1cnc(nc1)COC[C@@H]2CO2 34a_100000757423_100000703007 [0,0,1,1,0,0|2,0,0]=4 5165 B13R2.2382 c1cncc(c1)COCC2CC2 34a_100000211283_100000733263 [0,0,1,1,0,0|2,0,0]=4 5166 B13R2.2382 c1cncc(c1)COC[C@@H]2CO2 34a_100000757423_100000733263 [0,0,1,1,0,0|1,0,0]=3 5167 B13R2.2382 c1cncc(c1)CSCC2CO2 62a_100000741622_102125554688 [0,0,1,1,0,0|1,1,0]=4 5168 B13R2.2382 c1cncc(c1)CSCC2CO2 62a_102125554688_100000741622 [0,0,1,1,0,0|1,1,0]=4 5169 B13R2.2382 c1cncc(c1)CSC[C@@H]2CO2 62a_100000741622_100000745022 [0,0,1,1,0,0|1,1,0]=4 5170 B13R2.2382 c1cncc(c1)CSC[C@@H]2CO2 62a_100000745022_100000741622 [0,0,1,1,0,0|1,1,0]=4 5171 B13R2.2382 c1cnnc(c1)COC[C@@H]2CO2 34a_100000757423_100016990269 [0,0,1,1,0,0|2,0,0]=4 5172 B13R2.2382 c1ncc(cn1)COC[C@@H]2CO2 34a_100000757423_100015196519 [0,0,1,1,0,0|2,0,0]=4 5173 B11R1.25 CC(CF)OCc1ccsc1 34a_100016041109_100011261437 [0,0,1,0,1,0|2,0,0]=4 5174 B11R1.25 CC(CF)OCc1ccsc1 7a_100016041109_100011261437 [0,0,1,0,1,0|2,0,0]=4 5175 B11R1.25 CC(CN)OCc1ccsc1 34a_100000210904_100011261437 [0,0,1,0,1,0|2,0,0]=4 5176 B11R1.25 CC(CO)NCc1ccco1 2230a_100000185738_100012180447 [0,0,1,0,1,0|2,0,0]=4 5177 B11R1.25 CC(CO)NCc1ccco1 34a_100000185738_100012180447 [0,0,1,0,1,0|2,0,0]=4 5178 B11R1.25 CC(CO)NCc1cccs1 2230a_100000211653_100012180447 [0,0,1,0,1,0|2,0,0]=4 5179 B11R1.25 CC(CO)NCc1ccoc1 2230a_100015206860_100012180447 [0,0,1,0,1,0|2,0,0]=4 5180 B11R1.25 CC(CO)NCc1ccoc1 34a_100015206860_100012180447 [0,0,1,0,1,0|2,0,0]=4 5181 B11R1.25 CC(CO)NCc1ccsc1 2230a_100000186416_100012180447 [0,0,1,0,1,0|2,0,0]=4 5182 B11R1.25 CC(CO)NCc1ccsc1 34a_100000186416_100012180447 [0,0,1,0,1,0|2,0,0]=4 5183 B11R1.25 CC(CO)OCc1ccco1 34a_100000210059_100012180447 [0,0,1,0,1,0|1,0,0]=3 5184 B11R1.25 CC(CO)OCc1cccs1 34a_100000211240_100012180447 [0,0,1,0,1,0|1,0,0]=3 5185 B11R1.25 CC(CO)OCc1ccno1 34a_100000740478_100012180447 [0,0,1,0,1,0|2,0,0]=4 5186 B11R1.25 CC(CO)OCc1ccoc1 34a_100011215357_100012180447 [0,0,1,0,1,0|1,0,0]=3 5187 B11R1.25 CC(CO)OCc1ccsc1 34a_100011215551_100012180447 [0,0,1,0,1,0|1,0,0]=3 5188 B11R1.25 CC(CO)OCc1ncco1 34a_100000062594_100012180447 [0,0,1,0,1,0|2,0,0]=4 5189 B11R1.25 CC(CO)OCn1cccn1 34a_100000731028_100012180447 [0,0,1,0,1,0|2,0,0]=4 5190 B11R1.25 CC(CO)SCc1ccsc1 62a_100012180447_100011233845 [0,0,1,0,1,0|1,1,0]=4 5191 B11R1.25 CCC(C)OCc1ccco1 34a_100000210059_100011215416 [0,0,1,0,1,0|2,0,0]=4 5192 B11R1.25 CCC(C)OCc1cccs1 34a_100000211240_100011215416 [0,0,1,0,1,0|2,0,0]=4 5193 B11R1.25 CCC(C)OCc1ccoc1 34a_100011215357_100011215416 [0,0,1,0,1,0|2,0,0]=4 5194 B11R1.25 CCC(C)OCc1ccsc1 34a_100011215551_100011215416 [0,0,1,0,1,0|2,0,0]=4 5195 B11R1.25 CCC(C)OCc1ccsc1 7a_100000210228_100011261437 [0,0,1,0,1,0|2,0,0]=4 5196 B11R1.25 C[C@H](CO)NCc1ccco1 207a_100000737577_100000186105 [0,0,1,0,1,0|2,0,0]=4 5197 B11R1.25 C[C@H](CO)NCc1ccco1 270004a_100000737577_100000186105 [0,0,1,0,1,0|2,0,0]=4 5198 B11R1.25 C[C@H](CO)NCc1cccs1 207a_100000737577_100000209959 [0,0,1,0,1,0|2,0,0]=4 5199 B11R1.25 C[C@H](CO)NCc1cccs1 270004a_100000737577_100000209959 [0,0,1,0,1,0|2,0,0]=4 5200 B11R1.25 C[C@H](CO)NCc1ccoc1 207a_100000737577_100011215517 [0,0,1,0,1,0|2,0,0]=4 5201 B11R1.25 C[C@H](CO)NCc1ccoc1 270004a_100000737577_100011215517 [0,0,1,0,1,0|2,0,0]=4 5202 B11R1.25 C[C@H](CO)NCc1ccsc1 207a_100000737577_100000188534 [0,0,1,0,1,0|2,0,0]=4 5203 B11R1.25 C[C@H](CO)NCc1ccsc1 2230a_100000737577_100011261437 [0,0,1,0,1,0|2,0,0]=4 5204 B11R1.25 C[C@H](CO)NCc1ccsc1 270004a_100000737577_100000188534 [0,0,1,0,1,0|2,0,0]=4 5205 B11R1.25 C[C@H](CO)SCc1ccsc1 62a_100011261437_100016084084 [0,0,1,0,1,0|1,1,0]=4 5206 B11R1.25 C[C@H](CO)SCc1ccsc1 62a_100016084084_100011233845 [0,0,1,0,1,0|1,1,0]=4 5207 B11R1.40 C#CC(C)Oc1ccccc1 34a_100000210340_200000035995 [0,0,1,0,1,0|1,0,1]=4 5208 B11R1.40 CC(C#N)Oc1ccccc1 7a_100000210340_100000703298 [0,0,1,0,1,0|1,0,1]=4 5209 B11R1.40 CC(CO)Nc1ccccc1 34a_100000106764_100012180447 [0,0,1,0,1,0|1,0,0]=3 5210 B11R1.40 CC(CO)Oc1ccccc1 34a_100000210340_100012180447 [0,0,1,0,1,0|0,0,0]=2 5211 B11R1.40 CC(CO)Oc1ccccc1 7a_100000210340_100012180447 [0,0,1,0,1,0|0,0,0]=2 5212 B11R1.40 CC(CO)Oc1cccnc1 34a_100000210849_100012180447 [0,0,1,0,1,0|1,0,0]=3 5213 B11R1.40 CC(CO)Oc1cccnc1 7a_100000210849_100012180447 [0,0,1,0,1,0|1,0,0]=3 5214 B11R1.40 CC(CO)Oc1ccncc1 34a_100000212176_100012180447 [0,0,1,0,1,0|1,0,0]=3 5215 B11R1.40 CC(CO)Oc1ccnnc1 34a_100015204005_100012180447 [0,0,1,0,1,0|2,0,0]=4 5216 B11R1.40 CC(CO)Oc1cncnc1 7a_100000754086_100012180447 [0,0,1,0,1,0|2,0,0]=4 5217 B11R1.40 CC(CO)Sc1ccccc1 62a_100012180447_100000041952 [0,0,1,0,1,0|0,1,0]=3 5218 B11R1.40 CC(CO)Sc1ccccn1 62a_100012180447_100011216584 [0,0,1,0,1,0|1,1,0]=4 5219 B11R1.40 CC(CO)Sc1cccnc1 62a_100012180447_100000210063 [0,0,1,0,1,0|1,1,0]=4 5220 B11R1.40 CC(CO)Sc1ccncc1 62a_100012180447_100000728582 [0,0,1,0,1,0|1,1,0]=4 5221 B11R1.40 CC(Cc1ccccc1)O[13CH3] 34a_100000748627_200025704644 [0,0,1,0,1,0|2,0,0]=4 5222 B11R1.40 CC(Cc1ccccc1)O[13CH3] 7a_100000748627_200025704644 [0,0,1,0,1,0|2,0,0]=4 5223 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200011218536_200025704644 [0,0,1,0,1,0|2,0,0]=4 5224 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200025704644_200011218536 [0,0,1,0,1,0|2,0,0]=4 5225 B11R1.40 CCC(C)Nc1ccccc1 34a_100000106764_100011215416 [0,0,1,0,1,0|2,0,0]=4 5226 B11R1.40 CCC(C)Oc1ccccc1 34a_100000210340_100011215416 [0,0,1,0,1,0|1,0,0]=3 5227 B11R1.40 CCC(C)Oc1ccccc1 7a_100000210340_100000758301 [0,0,1,0,1,0|1,0,0]=3 5228 B11R1.40 CCC(C)Oc1cccnc1 34a_100000210849_100011215416 [0,0,1,0,1,0|2,0,0]=4 5229 B11R1.40 CCC(C)Oc1cccnc1 7a_100000210849_100000758301 [0,0,1,0,1,0|2,0,0]=4 5230 B11R1.40 CCC(C)Oc1ccncc1 34a_100000212176_100011215416 [0,0,1,0,1,0|2,0,0]=4 5231 B11R1.40 CCC(C)Sc1ccccc1 62a_100000719477_100000758301 [0,0,1,0,1,0|1,1,0]=4 5232 B11R1.40 CCC(C)Sc1ccccc1 62a_100000758301_100000041952 [0,0,1,0,1,0|1,1,0]=4 5233 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186898_100000210202 [0,0,1,0,1,0|2,0,0]=4 5234 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186914_200000210301 [0,0,1,0,1,0|2,0,0]=4 5235 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000225621_100015291786 [0,0,1,0,1,0|2,0,0]=4 5236 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186898_100000204670 [0,0,1,0,1,0|2,0,0]=4 5237 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186914_200000210301 [0,0,1,0,1,0|2,0,0]=4 5238 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000225621_100000211182 [0,0,1,0,1,0|2,0,0]=4 5239 B11R1.40 CCN([13CH3])Cc1ccccc1 2230a_100000186914_200025704644 [0,0,1,0,1,0|2,0,0]=4 5240 B11R1.40 CCN([13CH3])Cc1ccccc1 269982a_100000186914_200025704644 [0,0,1,0,1,0|2,0,0]=4 5241 B11R1.40 CN(CF)Cc1ccccc1 269982a_100000186898_100015361967 [0,0,1,0,1,0|2,0,0]=4 5242 B11R1.40 CNC(C)Cc1ccccc1 34a_100102657272_200011218536 [0,0,1,0,1,0|2,0,0]=4 5243 B11R1.40 CNC(C)Cc1ccccc1 7a_106832991635_200011218536 [0,0,1,0,1,0|2,0,0]=4 5244 B11R1.40 COC(C)Cc1ccccc1 34a_100000748627_200000210301 [0,0,1,0,1,0|2,0,0]=4 5245 B11R1.40 COC(C)Cc1ccccc1 34a_100138415774_200011218536 [0,0,1,0,1,0|2,0,0]=4 5246 B11R1.40 COC(C)Cc1ccccc1 7a_100000748627_200000210301 [0,0,1,0,1,0|2,0,0]=4 5247 B11R1.40 CSC(C)Cc1ccccc1 62a_200000210301_200011218536 [0,0,1,0,1,0|2,0,0]=4 5248 B11R1.40 CSC(C)Cc1ccccc1 62a_200011218536_200000210301 [0,0,1,0,1,0|2,0,0]=4 5249 B11R1.40 C[C@H](CO)Sc1ccccc1 62a_100000719477_100016084084 [0,0,1,0,1,0|0,1,0]=3 5250 B11R1.40 C[C@H](CO)Sc1ccccc1 62a_100016084084_100000041952 [0,0,1,0,1,0|0,1,0]=3 5251 B11R1.40 C[C@H](CO)Sc1ccccn1 62a_100011216584_100016084084 [0,0,1,0,1,0|1,1,0]=4 5252 B11R1.40 C[C@H](CO)Sc1ccccn1 62a_100016084084_100011216584 [0,0,1,0,1,0|1,1,0]=4 5253 B11R1.40 C[C@H](CO)Sc1cccnc1 62a_100000210063_100016084084 [0,0,1,0,1,0|1,1,0]=4 5254 B11R1.40 C[C@H](CO)Sc1cccnc1 62a_100016084084_100000210063 [0,0,1,0,1,0|1,1,0]=4 5255 B11R1.40 C[C@H](CO)Sc1ccncc1 62a_100000728582_100016084084 [0,0,1,0,1,0|1,1,0]=4 5256 B11R1.40 C[C@H](CO)Sc1ccncc1 62a_100016084084_100000728582 [0,0,1,0,1,0|1,1,0]=4 5257 B11R1.40 O=C(CO)Cc1ccccc1 1458a_100000210174_100015291786 [0,0,1,0,1,0|1,0,1]=4 5258 B11R1.36 CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_200000210301 [0,0,1,0,1,0|1,0,1]=4 5259 B11R1.36 CC(C)C(=O)c1ccccc1 1458a_100000185807_100000210206 [0,0,1,0,1,0|0,0,2]=4 5260 B11R1.36 CC(C)N(C)c1ccccc1 2230a_100000210012_100000210206 [0,0,1,0,1,0|2,0,0]=4 5261 B11R1.36 CC(C)N(C)c1ccccc1 2230a_100000210572_200000210301 [0,0,1,0,1,0|2,0,0]=4 5262 B11R1.36 CC(C)N(C)c1ccccc1 269982a_100000210012_100000210206 [0,0,1,0,1,0|2,0,0]=4 5263 B11R1.36 CC(C)N(C)c1ccccc1 269982a_100000210572_200000210301 [0,0,1,0,1,0|2,0,0]=4 5264 B11R1.36 CC(C)N(C)c1ccccc1 34a_100000210012_100000210206 [0,0,1,0,1,0|2,0,0]=4 5265 B11R1.36 CC(C)N(C)c1ccccc1 34a_100000210572_200000210301 [0,0,1,0,1,0|2,0,0]=4 5266 B11R1.36 CC(C)N(C)c1ccccc1 7a_100000210572_200000210301 [0,0,1,0,1,0|2,0,0]=4 5267 B11R1.36 CC(C)N([13CH3])c1ccccc1 2230a_100000210572_200025704644 [0,0,1,0,1,0|2,0,0]=4 5268 B11R1.36 CC(C)N([13CH3])c1ccccc1 269982a_100000210572_200025704644 [0,0,1,0,1,0|2,0,0]=4 5269 B11R1.36 CC(C)N([13CH3])c1ccccc1 34a_100000210572_200025704644 [0,0,1,0,1,0|2,0,0]=4 5270 B11R1.36 CC(C)N([13CH3])c1ccccc1 7a_100000210572_200025704644 [0,0,1,0,1,0|2,0,0]=4 5271 B11R1.36 CC(c1ccccc1)N(C)C 2230a_100000195388_200000210301 [0,0,1,0,1,0|2,0,0]=4 5272 B11R1.36 CC(c1ccccc1)N(C)C 2230a_100102631434_100000230085 [0,0,1,0,1,0|2,0,0]=4 5273 B11R1.36 CC(c1ccccc1)N(C)C 269982a_100000195388_200000210301 [0,0,1,0,1,0|2,0,0]=4 5274 B11R1.36 CC(c1ccccc1)N(C)C 269982a_100102631434_100000230085 [0,0,1,0,1,0|2,0,0]=4 5275 B11R1.36 CC(c1ccccc1)N(C)[13CH3] 2230a_100000195388_200025704644 [0,0,1,0,1,0|2,0,0]=4 5276 B11R1.36 CC(c1ccccc1)N(C)[13CH3] 269982a_100000195388_200025704644 [0,0,1,0,1,0|2,0,0]=4 5277 B11R1.36 [13CH3]C(=O)[C@H](O)c1ccccc1 1458a_100000684486_200025704644 [0,0,1,0,1,0|1,0,1]=4 5278 B11R1.77 CC(C)OC(C)c1ccsc1 34a_100011350980_100000210206 [0,0,1,0,1,0|2,0,0]=4 5279 B11R1.77 CC(C)OC(C)c1ccsc1 7a_100011350980_100000210206 [0,0,1,0,1,0|2,0,0]=4 5280 B11R1.77 CC(C)O[C@@H](C)c1ccco1 34a_100000755270_100000210206 [0,0,1,0,1,0|2,0,0]=4 5281 B11R1.77 CC(C)O[C@@H](C)c1ccco1 7a_100000755270_100000210206 [0,0,1,0,1,0|2,0,0]=4 5282 B11R1.77 CC(C)O[C@H](C)c1cccs1 7a_100000750433_100000210206 [0,0,1,0,1,0|2,0,0]=4 5283 B11R1.172 CC(Br)COCc1ccsc1 34a_100012180447_100011261437 [0,0,1,0,1,0|2,0,0]=4 5284 B11R1.172 CC(C)COCc1ccco1 34a_100000210059_100000210624 [0,0,1,0,1,0|2,0,0]=4 5285 B11R1.172 CC(C)COCc1cccs1 34a_100000211240_100000210624 [0,0,1,0,1,0|2,0,0]=4 5286 B11R1.172 CC(C)COCc1ccoc1 34a_100011215357_100000210624 [0,0,1,0,1,0|2,0,0]=4 5287 B11R1.172 CC(C)COCc1ccsc1 34a_100000210257_100011261437 [0,0,1,0,1,0|2,0,0]=4 5288 B11R1.172 CC(C)COCc1ccsc1 34a_100011215551_100000210624 [0,0,1,0,1,0|2,0,0]=4 5289 B11R1.172 CC(F)COCc1ccsc1 34a_100015925927_100011261437 [0,0,1,0,1,0|2,0,0]=4 5290 B11R1.172 CC(O)CNCc1ccco1 207a_100000210904_100000186105 [0,0,1,0,1,0|2,0,0]=4 5291 B11R1.172 CC(O)CNCc1ccco1 2230a_100000185738_100011218427 [0,0,1,0,1,0|2,0,0]=4 5292 B11R1.172 CC(O)CNCc1ccco1 270004a_100000210904_100000186105 [0,0,1,0,1,0|2,0,0]=4 5293 B11R1.172 CC(O)CNCc1ccco1 34a_100000185738_100011218427 [0,0,1,0,1,0|2,0,0]=4 5294 B11R1.172 CC(O)CNCc1cccs1 207a_100000210904_100000209959 [0,0,1,0,1,0|2,0,0]=4 5295 B11R1.172 CC(O)CNCc1cccs1 2230a_100000211653_100011218427 [0,0,1,0,1,0|2,0,0]=4 5296 B11R1.172 CC(O)CNCc1cccs1 270004a_100000210904_100000209959 [0,0,1,0,1,0|2,0,0]=4 5297 B11R1.172 CC(O)CNCc1ccoc1 207a_100000210904_100011215517 [0,0,1,0,1,0|2,0,0]=4 5298 B11R1.172 CC(O)CNCc1ccoc1 2230a_100015206860_100011218427 [0,0,1,0,1,0|2,0,0]=4 5299 B11R1.172 CC(O)CNCc1ccoc1 270004a_100000210904_100011215517 [0,0,1,0,1,0|2,0,0]=4 5300 B11R1.172 CC(O)CNCc1ccoc1 34a_100015206860_100011218427 [0,0,1,0,1,0|2,0,0]=4 5301 B11R1.172 CC(O)CNCc1ccsc1 207a_100000210904_100000188534 [0,0,1,0,1,0|2,0,0]=4 5302 B11R1.172 CC(O)CNCc1ccsc1 2230a_100000186416_100011218427 [0,0,1,0,1,0|2,0,0]=4 5303 B11R1.172 CC(O)CNCc1ccsc1 2230a_100000210904_100011261437 [0,0,1,0,1,0|2,0,0]=4 5304 B11R1.172 CC(O)CNCc1ccsc1 270004a_100000210904_100000188534 [0,0,1,0,1,0|2,0,0]=4 5305 B11R1.172 CC(O)CNCc1ccsc1 34a_100000186416_100011218427 [0,0,1,0,1,0|2,0,0]=4 5306 B11R1.172 CC(O)CNCc1ccsc1 34a_100000210904_100011261437 [0,0,1,0,1,0|2,0,0]=4 5307 B11R1.172 CC(O)COCc1ccco1 34a_100000210059_100011218427 [0,0,1,0,1,0|1,0,0]=3 5308 B11R1.172 CC(O)COCc1cccs1 34a_100000211240_100011218427 [0,0,1,0,1,0|1,0,0]=3 5309 B11R1.172 CC(O)COCc1ccno1 34a_100000740478_100011218427 [0,0,1,0,1,0|2,0,0]=4 5310 B11R1.172 CC(O)COCc1ccoc1 34a_100011215357_100011218427 [0,0,1,0,1,0|1,0,0]=3 5311 B11R1.172 CC(O)COCc1ccsc1 34a_100011215551_100011218427 [0,0,1,0,1,0|1,0,0]=3 5312 B11R1.172 CC(O)COCc1ncco1 34a_100000062594_100011218427 [0,0,1,0,1,0|2,0,0]=4 5313 B11R1.172 CC(O)COCn1cccn1 34a_100000731028_100011218427 [0,0,1,0,1,0|2,0,0]=4 5314 B11R1.172 CC(O)CSCc1ccsc1 62a_100011218427_100011233845 [0,0,1,0,1,0|1,1,0]=4 5315 B11R1.172 CC(O)CSCc1ccsc1 62a_100011261437_100011218427 [0,0,1,0,1,0|1,1,0]=4 5316 B11R1.172 C[C@@H](Cl)COCc1ccsc1 34a_100016084084_100011261437 [0,0,1,0,1,0|2,0,0]=4 5317 B11R1.172 C[C@@H](N)COCc1ccsc1 34a_100000737577_100011261437 [0,0,1,0,1,0|2,0,0]=4 5318 B11R1.172 C[C@@H](O)CNCc1ccco1 2230a_100000185738_100009817552 [0,0,1,0,1,0|2,0,0]=4 5319 B11R1.172 C[C@@H](O)CNCc1ccco1 34a_100000185738_100009817552 [0,0,1,0,1,0|2,0,0]=4 5320 B11R1.172 C[C@@H](O)CNCc1cccs1 2230a_100000211653_100009817552 [0,0,1,0,1,0|2,0,0]=4 5321 B11R1.172 C[C@@H](O)CNCc1ccoc1 2230a_100015206860_100009817552 [0,0,1,0,1,0|2,0,0]=4 5322 B11R1.172 C[C@@H](O)CNCc1ccoc1 34a_100015206860_100009817552 [0,0,1,0,1,0|2,0,0]=4 5323 B11R1.172 C[C@@H](O)CNCc1ccsc1 2230a_100000186416_100009817552 [0,0,1,0,1,0|2,0,0]=4 5324 B11R1.172 C[C@@H](O)CNCc1ccsc1 34a_100000186416_100009817552 [0,0,1,0,1,0|2,0,0]=4 5325 B11R1.172 C[C@@H](O)COCc1ccco1 34a_100000210059_100009817552 [0,0,1,0,1,0|1,0,0]=3 5326 B11R1.172 C[C@@H](O)COCc1cccs1 34a_100000211240_100009817552 [0,0,1,0,1,0|1,0,0]=3 5327 B11R1.172 C[C@@H](O)COCc1ccno1 34a_100000740478_100009817552 [0,0,1,0,1,0|2,0,0]=4 5328 B11R1.172 C[C@@H](O)COCc1ccoc1 34a_100011215357_100009817552 [0,0,1,0,1,0|1,0,0]=3 5329 B11R1.172 C[C@@H](O)COCc1ccsc1 34a_100011215551_100009817552 [0,0,1,0,1,0|1,0,0]=3 5330 B11R1.172 C[C@@H](O)COCc1ncco1 34a_100000062594_100009817552 [0,0,1,0,1,0|2,0,0]=4 5331 B11R1.172 C[C@@H](O)COCn1cccn1 34a_100000731028_100009817552 [0,0,1,0,1,0|2,0,0]=4 5332 B11R1.172 C[C@@H](O)CSCc1ccsc1 62a_100009817552_100011233845 [0,0,1,0,1,0|1,1,0]=4 5333 B11R1.172 C[C@@H](O)CSCc1ccsc1 62a_100011261437_100009817552 [0,0,1,0,1,0|1,1,0]=4 5334 B13R1.79 C#CC(Cc1ccccc1)OCC 34a_100000685211_100000210202 [0,0,1,0,0,1|1,0,1]=4 5335 B13R1.79 C#CC(Cc1ccccc1)OCC 7a_100000685211_100000210202 [0,0,1,0,0,1|1,0,1]=4 5336 B13R1.79 CCC(Cc1ccccc1)OCF 7a_100000760156_100015361967 [0,0,1,0,0,1|2,0,0]=4 5337 B13R1.79 CCCC(CC)Oc1ccccc1 7a_100000210340_100011219200 [0,0,1,0,0,1|2,0,0]=4 5338 B13R1.79 CCCC(CC)Sc1ccccc1 62a_100000719477_100011219200 [0,0,1,0,0,1|2,0,0]=4 5339 B13R1.79 CCCC(CC)Sc1ccccc1 62a_100011219200_100000041952 [0,0,1,0,0,1|2,0,0]=4 5340 B13R1.79 CCNC(CC)Cc1ccccc1 270004a_100015525214_100000212045 [0,0,1,0,0,1|2,0,0]=4 5341 B13R1.79 CCOC(CC)Cc1ccccc1 7a_100000760156_100000210202 [0,0,1,0,0,1|1,0,0]=3 5342 B13R1.79 CCOC(CN)Cc1ccccc1 34a_100000752270_100000210202 [0,0,1,0,0,1|2,0,0]=4 5343 B13R1.79 CCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100000210202 [0,0,1,0,0,1|2,0,0]=4 5344 B13R1.44 CC(Cc1ccccc1)OCCBr 34a_100000211926_200011218536 [0,0,1,0,0,1|2,0,0]=4 5345 B13R1.44 CC(Cc1ccccc1)OCCF 34a_100000748627_100011217306 [0,0,1,0,0,1|2,0,0]=4 5346 B13R1.44 CC(Cc1ccccc1)OCCF 7a_100000748627_100011217306 [0,0,1,0,0,1|2,0,0]=4 5347 B13R1.44 CC(Cc1ccccc1)OCCN 34a_100000210304_200011218536 [0,0,1,0,0,1|2,0,0]=4 5348 B13R1.44 CC(Cc1ccccc1)OCCO 34a_100000748627_100000211926 [0,0,1,0,0,1|2,0,0]=4 5349 B13R1.44 CC(Cc1ccccc1)OCCO 7a_100000748627_100000211926 [0,0,1,0,0,1|2,0,0]=4 5350 B13R1.44 CCCCC(C)Nc1ccccc1 34a_100000106764_200011215066 [0,0,1,0,0,1|2,0,0]=4 5351 B13R1.44 CCCCC(C)Oc1ccccc1 34a_100000210340_200011215066 [0,0,1,0,0,1|2,0,0]=4 5352 B13R1.44 CCCCC(C)Oc1ccccc1 7a_100000210340_200011215066 [0,0,1,0,0,1|2,0,0]=4 5353 B13R1.44 CCCCC(C)Sc1ccccc1 62a_100000719477_200011215066 [0,0,1,0,0,1|2,0,0]=4 5354 B13R1.44 CCCCC(C)Sc1ccccc1 62a_200011215066_100000041952 [0,0,1,0,0,1|2,0,0]=4 5355 B13R1.44 CCCOC(C)Cc1ccccc1 34a_100000210258_200011218536 [0,0,1,0,0,1|1,0,0]=3 5356 B13R1.44 CCCOC(C)Cc1ccccc1 34a_100000748627_100000210303 [0,0,1,0,0,1|1,0,0]=3 5357 B13R1.44 CCCOC(C)Cc1ccccc1 7a_100000748627_100000210303 [0,0,1,0,0,1|1,0,0]=3 5358 B13R1.44 CCCSC(C)Cc1ccccc1 62a_100000210303_200011218536 [0,0,1,0,0,1|1,1,0]=4 5359 B13R1.44 CCCSC(C)Cc1ccccc1 62a_200011218536_100000210303 [0,0,1,0,0,1|1,1,0]=4 5360 B13R1.44 CCNCC(O)Cc1ccccc1 2230a_100000752270_100000210202 [0,0,1,0,0,1|2,0,0]=4 5361 B13R1.44 CCNC[C@@H](O)Cc1ccccc1 2230a_100015525214_100000729385 [0,0,1,0,0,1|2,0,0]=4 5362 B13R1.44 CCOC[C@@H](O)Cc1ccccc1 34a_100121572206_100000729385 [0,0,1,0,0,1|2,0,0]=4 5363 B13R1.44 CCSC[C@@H](O)Cc1ccccc1 62a_100000210202_100000729385 [0,0,1,0,0,1|2,0,0]=4 5364 B13R1.44 CCSC[C@@H](O)Cc1ccccc1 62a_100000729385_100000210202 [0,0,1,0,0,1|2,0,0]=4 5365 B13R1.44 CSCOC(C)Cc1ccccc1 34a_100000748627_100011218213 [0,0,1,0,0,1|2,0,0]=4 5366 B13R1.337 C=C(C)CCOCc1ccccc1 34a_100000210790_100000730704 [0,0,1,0,0,1|1,0,1]=4 5367 B13R1.337 C=C(C)CCOCc1ccccc1 34a_100000764851_100015291786 [0,0,1,0,0,1|1,0,1]=4 5368 B13R1.337 C=C(C)CCOCc1ccccc1 7a_100000210790_100000730704 [0,0,1,0,0,1|1,0,1]=4 5369 B13R1.337 C=C(C)COCCc1ccccc1 34a_100000210245_100000765856 [0,0,1,0,0,1|1,0,1]=4 5370 B13R1.337 C=C(C)COCCc1ccccc1 34a_100000210268_100000748629 [0,0,1,0,0,1|1,0,1]=4 5371 B13R1.337 C=C(C)COCCc1ccccc1 7a_100000210268_100000748629 [0,0,1,0,0,1|1,0,1]=4 5372 B13R1.337 CC(=CCOCc1ccccc1)C 34a_100000210790_100000761012 [0,0,1,0,0,1|1,0,1]=4 5373 B13R1.337 CC(=CCOCc1ccccc1)C 34a_100000753907_100015291786 [0,0,1,0,0,1|1,0,1]=4 5374 B13R1.337 CC(=CCOCc1ccccc1)C 7a_100000210790_100000761012 [0,0,1,0,0,1|1,0,1]=4 5375 B13R1.337 CC(=O)CCOCc1ccccc1 1458a_100000070787_100000234347 [0,0,1,0,0,1|0,0,2]=4 5376 B13R1.337 CC(=O)CCOCc1ccccc1 1458a_100000743319_200000210301 [0,0,1,0,0,1|0,0,2]=4 5377 B13R1.337 CC(=O)CCOCc1ccccc1 34a_100000759926_100015291786 [0,0,1,0,0,1|0,0,2]=4 5378 B13R1.337 CC(=O)CCOCc1ccccc1 7a_100000210790_100000053229 [0,0,1,0,0,1|0,0,2]=4 5379 B13R1.337 CC(=O)CCOCc1ccccc1 7a_100000759926_100000211182 [0,0,1,0,0,1|0,0,2]=4 5380 B13R1.337 CC(=O)COCCc1ccccc1 34a_100000211253_100000765856 [0,0,1,0,0,1|0,0,2]=4 5381 B13R1.337 CC(=O)OCOCc1ccccc1 34a_100000210790_100009813279 [0,0,1,0,0,1|0,0,2]=4 5382 B13R1.337 CC(Br)CCOCc1ccccc1 34a_100009893172_100015291786 [0,0,1,0,0,1|1,0,0]=3 5383 B13R1.337 CC(Br)CCOCc1ccccn1 34a_100009893172_100000721315 [0,0,1,0,0,1|2,0,0]=4 5384 B13R1.337 CC(Br)CCOCc1cccnc1 34a_100009893172_100000733263 [0,0,1,0,0,1|2,0,0]=4 5385 B13R1.337 CC(Br)COCCc1ccccc1 34a_100012180447_100000765856 [0,0,1,0,0,1|1,0,0]=3 5386 B13R1.337 CC(C)CCCNc1ccccc1 34a_100000106764_100011214892 [0,0,1,0,0,1|2,0,0]=4 5387 B13R1.337 CC(C)CCCOc1ccccc1 34a_100000210340_100011214892 [0,0,1,0,0,1|2,0,0]=4 5388 B13R1.337 CC(C)CCCOc1ccccc1 7a_100000210340_100011214892 [0,0,1,0,0,1|2,0,0]=4 5389 B13R1.337 CC(C)CCCSc1ccccc1 62a_100000719477_100011214892 [0,0,1,0,0,1|2,0,0]=4 5390 B13R1.337 CC(C)CCCSc1ccccc1 62a_100011214892_100000041952 [0,0,1,0,0,1|2,0,0]=4 5391 B13R1.337 CC(C)CCNCc1ccccc1 207a_100000210545_100015611070 [0,0,1,0,0,1|2,0,0]=4 5392 B13R1.337 CC(C)CCNCc1ccccc1 2230a_100015324214_100000210312 [0,0,1,0,0,1|2,0,0]=4 5393 B13R1.337 CC(C)CCNCc1ccccc1 269862a_100015324214_100000185833 [0,0,1,0,0,1|2,0,0]=4 5394 B13R1.337 CC(C)CCNCc1ccccc1 270004a_100000210545_100015611070 [0,0,1,0,0,1|2,0,0]=4 5395 B13R1.337 CC(C)CCNCc1ccccc1 34a_100015324214_100000210312 [0,0,1,0,0,1|2,0,0]=4 5396 B13R1.337 CC(C)CCOCc1ccccc1 34a_100000210254_100015291786 [0,0,1,0,0,1|1,0,0]=3 5397 B13R1.337 CC(C)CCOCc1ccccc1 34a_100000210790_100000210312 [0,0,1,0,0,1|1,0,0]=3 5398 B13R1.337 CC(C)CCOCc1ccccc1 7a_100000210254_100000211182 [0,0,1,0,0,1|1,0,0]=3 5399 B13R1.337 CC(C)CCOCc1ccccc1 7a_100000210790_100000210626 [0,0,1,0,0,1|1,0,0]=3 5400 B13R1.337 CC(C)CCOCc1ccccn1 34a_100000210254_100000721315 [0,0,1,0,0,1|2,0,0]=4 5401 B13R1.337 CC(C)CCOCc1ccccn1 7a_100000210254_100000721315 [0,0,1,0,0,1|2,0,0]=4 5402 B13R1.337 CC(C)CCOCc1cccnc1 34a_100000210254_100000733263 [0,0,1,0,0,1|2,0,0]=4 5403 B13R1.337 CC(C)CCOCc1cccnc1 7a_100000210254_100000741622 [0,0,1,0,0,1|2,0,0]=4 5404 B13R1.337 CC(C)CCOCc1ccncc1 7a_100000210254_100015193705 [0,0,1,0,0,1|2,0,0]=4 5405 B13R1.337 CC(C)CCSCc1ccccc1 62a_100000210312_100015291786 [0,0,1,0,0,1|1,1,0]=4 5406 B13R1.337 CC(C)CCSCc1ccccc1 62a_100000211182_100000210312 [0,0,1,0,0,1|1,1,0]=4 5407 B13R1.337 CC(C)CNCCc1ccccc1 2230a_100000106460_100000210760 [0,0,1,0,0,1|2,0,0]=4 5408 B13R1.337 CC(C)CNCCc1ccccc1 2230a_100000210953_100000765856 [0,0,1,0,0,1|2,0,0]=4 5409 B13R1.337 CC(C)CNCCc1ccccc1 270004a_100000106460_100000210432 [0,0,1,0,0,1|2,0,0]=4 5410 B13R1.337 CC(C)CNCCc1ccccc1 34a_100000106460_100000210624 [0,0,1,0,0,1|2,0,0]=4 5411 B13R1.337 CC(C)CNCCc1ccccc1 34a_100000210953_100000765856 [0,0,1,0,0,1|2,0,0]=4 5412 B13R1.337 CC(C)CNCSc1ccccc1 2230a_100000210953_100011218342 [0,0,1,0,0,1|2,0,0]=4 5413 B13R1.337 CC(C)COCCc1ccccc1 34a_100000210257_100000765856 [0,0,1,0,0,1|1,0,0]=3 5414 B13R1.337 CC(C)COCCc1ccccc1 34a_100000210268_100000210624 [0,0,1,0,0,1|1,0,0]=3 5415 B13R1.337 CC(C)COCCc1ccccc1 7a_100000210268_100000210760 [0,0,1,0,0,1|1,0,0]=3 5416 B13R1.337 CC(C)COCCc1ccccn1 34a_100000210271_100000210624 [0,0,1,0,0,1|2,0,0]=4 5417 B13R1.337 CC(C)COCCc1cccnc1 34a_100011217484_100000210624 [0,0,1,0,0,1|2,0,0]=4 5418 B13R1.337 CC(C)COCCc1ccncc1 34a_100011216225_100000210624 [0,0,1,0,0,1|2,0,0]=4 5419 B13R1.337 CC(C)CSCCc1ccccc1 62a_100000210624_100011218657 [0,0,1,0,0,1|1,1,0]=4 5420 B13R1.337 CC(C)CSCCc1ccccc1 62a_100000765856_100000210760 [0,0,1,0,0,1|1,1,0]=4 5421 B13R1.337 CC(C)CSCSc1ccccc1 62a_100000210624_100011218342 [0,0,1,0,0,1|1,1,0]=4 5422 B13R1.337 CC(C)CSCSc1ccccc1 62a_100011218342_100000210760 [0,0,1,0,0,1|1,1,0]=4 5423 B13R1.337 CC(C)NCCCc1ccccc1 2230a_100000211184_100000210206 [0,0,1,0,0,1|2,0,0]=4 5424 B13R1.337 CC(C)NCCCc1ccccc1 2230a_100138425928_100000211621 [0,0,1,0,0,1|2,0,0]=4 5425 B13R1.337 CC(C)NCCCc1ccccc1 34a_100000211184_100000210206 [0,0,1,0,0,1|2,0,0]=4 5426 B13R1.337 CC(C)NCCCc1ccccc1 34a_100138425928_100000211621 [0,0,1,0,0,1|2,0,0]=4 5427 B13R1.337 CC(C)NCOCc1ccccc1 2230a_100138425928_100000763385 [0,0,1,0,0,1|1,0,0]=3 5428 B13R1.337 CC(C)NCOCc1ccccc1 34a_100138425928_100000763385 [0,0,1,0,0,1|1,0,0]=3 5429 B13R1.337 CC(C)NCSCc1ccccc1 2230a_100138425928_200011217039 [0,0,1,0,0,1|1,1,0]=4 5430 B13R1.337 CC(C)NCSCc1ccccc1 34a_100138425928_200011217039 [0,0,1,0,0,1|1,1,0]=4 5431 B13R1.337 CC(C)OCCCc1ccccc1 34a_100000210828_100000210206 [0,0,1,0,0,1|2,0,0]=4 5432 B13R1.337 CC(C)OCCCc1ccccc1 34a_100000212225_100000211621 [0,0,1,0,0,1|2,0,0]=4 5433 B13R1.337 CC(C)OCCCc1ccccc1 7a_100000210828_100000210206 [0,0,1,0,0,1|2,0,0]=4 5434 B13R1.337 CC(C)OCNCc1ccccc1 2230a_100015324214_100000709892 [0,0,1,0,0,1|2,0,0]=4 5435 B13R1.337 CC(C)OCNCc1ccccc1 34a_100015324214_100000709892 [0,0,1,0,0,1|2,0,0]=4 5436 B13R1.337 CC(C)OCOCc1ccccc1 34a_100000210790_100000709892 [0,0,1,0,0,1|1,0,0]=3 5437 B13R1.337 CC(C)OCOCc1ccccc1 34a_100000212225_100000763385 [0,0,1,0,0,1|1,0,0]=3 5438 B13R1.337 CC(C)OCSCc1ccccc1 34a_100000212225_200011217039 [0,0,1,0,0,1|1,1,0]=4 5439 B13R1.337 CC(C)OCSCc1ccccc1 62a_100000211182_100000709892 [0,0,1,0,0,1|1,1,0]=4 5440 B13R1.337 CC(C)OCSCc1ccccc1 62a_100000709892_100015291786 [0,0,1,0,0,1|1,1,0]=4 5441 B13R1.337 CC(C)SCCCc1ccccc1 62a_100000210206_100000211621 [0,0,1,0,0,1|2,0,0]=4 5442 B13R1.337 CC(C)SCCCc1ccccc1 62a_100000211621_100000210206 [0,0,1,0,0,1|2,0,0]=4 5443 B13R1.337 CC(C)SCOCc1ccccc1 62a_100000210206_100000763385 [0,0,1,0,0,1|1,0,0]=3 5444 B13R1.337 CC(C)SCOCc1ccccc1 62a_100000763385_100000210206 [0,0,1,0,0,1|1,0,0]=3 5445 B13R1.337 CC(C)SCSCc1ccccc1 62a_100000210206_200011217039 [0,0,1,0,0,1|1,1,0]=4 5446 B13R1.337 CC(C)SCSCc1ccccc1 62a_200011217039_100000210206 [0,0,1,0,0,1|1,1,0]=4 5447 B13R1.337 CC(F)COCCc1ccccc1 34a_100015925927_100000765856 [0,0,1,0,0,1|1,0,0]=3 5448 B13R1.337 CC(O)CCCNc1ccccc1 34a_100000106764_200000718107 [0,0,1,0,0,1|1,0,0]=3 5449 B13R1.337 CC(O)CCCOc1ccccc1 34a_100000210340_200000718107 [0,0,1,0,0,1|1,0,0]=3 5450 B13R1.337 CC(O)CCCOc1ccccc1 7a_100000210340_200000718107 [0,0,1,0,0,1|1,0,0]=3 5451 B13R1.337 CC(O)CCCOc1cccnc1 34a_100000210849_200000718107 [0,0,1,0,0,1|2,0,0]=4 5452 B13R1.337 CC(O)CCCOc1cccnc1 7a_100000210849_200000718107 [0,0,1,0,0,1|2,0,0]=4 5453 B13R1.337 CC(O)CCCOc1ccncc1 34a_100000212176_200000718107 [0,0,1,0,0,1|2,0,0]=4 5454 B13R1.337 CC(O)CCCSc1ccccc1 62a_100000719477_200000718107 [0,0,1,0,0,1|1,0,0]=3 5455 B13R1.337 CC(O)CCCSc1ccccc1 62a_200000718107_100000041952 [0,0,1,0,0,1|1,0,0]=3 5456 B13R1.337 CC(O)CCCSc1ccccn1 62a_100011216584_200000718107 [0,0,1,0,0,1|2,0,0]=4 5457 B13R1.337 CC(O)CCCSc1ccccn1 62a_200000718107_100011216584 [0,0,1,0,0,1|2,0,0]=4 5458 B13R1.337 CC(O)CCCSc1cccnc1 62a_100000210063_200000718107 [0,0,1,0,0,1|2,0,0]=4 5459 B13R1.337 CC(O)CCCSc1cccnc1 62a_200000718107_100000210063 [0,0,1,0,0,1|2,0,0]=4 5460 B13R1.337 CC(O)CCCSc1ccncc1 62a_100000728582_200000718107 [0,0,1,0,0,1|2,0,0]=4 5461 B13R1.337 CC(O)CCCSc1ccncc1 62a_200000718107_100000728582 [0,0,1,0,0,1|2,0,0]=4 5462 B13R1.337 CC(O)CCNCc1ccccc1 207a_200000755665_100015611070 [0,0,1,0,0,1|1,0,0]=3 5463 B13R1.337 CC(O)CCNCc1ccccc1 2230a_100015324214_100012276601 [0,0,1,0,0,1|1,0,0]=3 5464 B13R1.337 CC(O)CCNCc1ccccc1 2230a_200000755665_100015291786 [0,0,1,0,0,1|1,0,0]=3 5465 B13R1.337 CC(O)CCNCc1ccccc1 270004a_200000755665_100015611070 [0,0,1,0,0,1|1,0,0]=3 5466 B13R1.337 CC(O)CCNCc1ccccc1 34a_100015324214_100012276601 [0,0,1,0,0,1|1,0,0]=3 5467 B13R1.337 CC(O)CCNCc1ccccn1 207a_200000755665_100000209966 [0,0,1,0,0,1|2,0,0]=4 5468 B13R1.337 CC(O)CCNCc1ccccn1 2230a_200000755665_100000721315 [0,0,1,0,0,1|2,0,0]=4 5469 B13R1.337 CC(O)CCNCc1ccccn1 270004a_200000755665_100000209966 [0,0,1,0,0,1|2,0,0]=4 5470 B13R1.337 CC(O)CCNCc1cccnc1 207a_200000755665_100000209961 [0,0,1,0,0,1|2,0,0]=4 5471 B13R1.337 CC(O)CCNCc1cccnc1 2230a_200000755665_100000741622 [0,0,1,0,0,1|2,0,0]=4 5472 B13R1.337 CC(O)CCNCc1cccnc1 270004a_200000755665_100000209961 [0,0,1,0,0,1|2,0,0]=4 5473 B13R1.337 CC(O)CCNCc1ccncc1 207a_200000755665_100000186114 [0,0,1,0,0,1|2,0,0]=4 5474 B13R1.337 CC(O)CCNCc1ccncc1 2230a_200000755665_100015193705 [0,0,1,0,0,1|2,0,0]=4 5475 B13R1.337 CC(O)CCOCc1ccccc1 34a_100000210790_100012276601 [0,0,1,0,0,1|0,0,0]=2 5476 B13R1.337 CC(O)CCOCc1ccccc1 7a_100000210790_100012276601 [0,0,1,0,0,1|0,0,0]=2 5477 B13R1.337 CC(O)CCSCc1ccccc1 62a_100000211182_100012276601 [0,0,1,0,0,1|0,1,0]=3 5478 B13R1.337 CC(O)CCSCc1ccccc1 62a_100012276601_100015291786 [0,0,1,0,0,1|0,1,0]=3 5479 B13R1.337 CC(O)CCSCc1ccccn1 62a_100000721315_100012276601 [0,0,1,0,0,1|1,1,0]=4 5480 B13R1.337 CC(O)CCSCc1ccccn1 62a_100012276601_100000721315 [0,0,1,0,0,1|1,1,0]=4 5481 B13R1.337 CC(O)CCSCc1cccnc1 62a_100000741622_100012276601 [0,0,1,0,0,1|1,1,0]=4 5482 B13R1.337 CC(O)CCSCc1cccnc1 62a_100012276601_100000741622 [0,0,1,0,0,1|1,1,0]=4 5483 B13R1.337 CC(O)CCSCc1ccncc1 62a_100012276601_100015193705 [0,0,1,0,0,1|1,1,0]=4 5484 B13R1.337 CC(O)CCSCc1ccncc1 62a_100015193705_100012276601 [0,0,1,0,0,1|1,1,0]=4 5485 B13R1.337 CC(O)CNCCc1ccccc1 2230a_100000106460_100011218427 [0,0,1,0,0,1|1,0,0]=3 5486 B13R1.337 CC(O)CNCCc1ccccc1 2230a_100000210904_100000765856 [0,0,1,0,0,1|1,0,0]=3 5487 B13R1.337 CC(O)CNCCc1ccccc1 34a_100000106460_100011218427 [0,0,1,0,0,1|1,0,0]=3 5488 B13R1.337 CC(O)CNCCc1ccccc1 34a_100000210904_100000765856 [0,0,1,0,0,1|1,0,0]=3 5489 B13R1.337 CC(O)CNCCc1ccccn1 2230a_100000210904_100015183660 [0,0,1,0,0,1|2,0,0]=4 5490 B13R1.337 CC(O)CNCCc1cccnc1 2230a_100000210904_200011713674 [0,0,1,0,0,1|2,0,0]=4 5491 B13R1.337 CC(O)CNCCc1cccnc1 2230a_100000736294_100011218427 [0,0,1,0,0,1|2,0,0]=4 5492 B13R1.337 CC(O)CNCCc1ccncc1 2230a_100000210904_100000723409 [0,0,1,0,0,1|2,0,0]=4 5493 B13R1.337 CC(O)CNCSc1ccccc1 2230a_100000210904_100011218342 [0,0,1,0,0,1|1,0,0]=3 5494 B13R1.337 CC(O)CNN=Cc1ccccc1 4a_200000730056_100015611070 [0,0,1,0,0,1|1,0,1]=4 5495 B13R1.337 CC(O)COCCc1ccccc1 34a_100000210268_100011218427 [0,0,1,0,0,1|0,0,0]=2 5496 B13R1.337 CC(O)COCCc1ccccc1 7a_100000210268_100011218427 [0,0,1,0,0,1|0,0,0]=2 5497 B13R1.337 CC(O)COCCc1ccccn1 34a_100000210271_100011218427 [0,0,1,0,0,1|1,0,0]=3 5498 B13R1.337 CC(O)COCCc1cccnc1 34a_100011217484_100011218427 [0,0,1,0,0,1|1,0,0]=3 5499 B13R1.337 CC(O)COCCc1ccncc1 34a_100011216225_100011218427 [0,0,1,0,0,1|1,0,0]=3 5500 B13R1.337 CC(O)COCCc1cnccn1 34a_100011349526_100011218427 [0,0,1,0,0,1|2,0,0]=4 5501 B13R1.337 CC(O)COCCc1cncnc1 34a_100011709255_100011218427 [0,0,1,0,0,1|2,0,0]=4 5502 B13R1.337 CC(O)CSCCc1ccccc1 62a_100000765856_100011218427 [0,0,1,0,0,1|0,1,0]=3 5503 B13R1.337 CC(O)CSCCc1ccccc1 62a_100011218427_100011218657 [0,0,1,0,0,1|0,1,0]=3 5504 B13R1.337 CC(O)CSCCc1ccccn1 62a_100011218427_100015183660 [0,0,1,0,0,1|1,1,0]=4 5505 B13R1.337 CC(O)CSCCc1ccccn1 62a_100015183660_100011218427 [0,0,1,0,0,1|1,1,0]=4 5506 B13R1.337 CC(O)CSCCc1cccnc1 62a_100011218427_200011713674 [0,0,1,0,0,1|1,1,0]=4 5507 B13R1.337 CC(O)CSCCc1cccnc1 62a_200011713674_100011218427 [0,0,1,0,0,1|1,1,0]=4 5508 B13R1.337 CC(O)CSCCc1ccncc1 62a_100000723409_100011218427 [0,0,1,0,0,1|1,1,0]=4 5509 B13R1.337 CC(O)CSCCc1ccncc1 62a_100011218427_100000723409 [0,0,1,0,0,1|1,1,0]=4 5510 B13R1.337 CC(O)CSCSc1ccccc1 62a_100011218342_100011218427 [0,0,1,0,0,1|0,1,0]=3 5511 B13R1.337 CC(O)CSCSc1ccccc1 62a_100011218427_100011218342 [0,0,1,0,0,1|0,1,0]=3 5512 B13R1.337 CN(C)CCOCc1ccccc1 2230a_100000687121_200000210301 [0,0,1,0,0,1|2,0,0]=4 5513 B13R1.337 CN(C)CCOCc1ccccc1 2230a_100102631434_100000234347 [0,0,1,0,0,1|2,0,0]=4 5514 B13R1.337 CN(C)CCOCc1ccccc1 269982a_100000687121_200000210301 [0,0,1,0,0,1|2,0,0]=4 5515 B13R1.337 CN(C)CCOCc1ccccc1 269982a_100102631434_100000234347 [0,0,1,0,0,1|2,0,0]=4 5516 B13R1.337 CN(C)CCOCc1ccccc1 7a_100000210790_100000755713 [0,0,1,0,0,1|2,0,0]=4 5517 B13R1.337 CN([13CH3])CCOCc1ccccc1 2230a_100000687121_200025704644 [0,0,1,0,0,1|2,0,0]=4 5518 B13R1.337 CN([13CH3])CCOCc1ccccc1 269982a_100000687121_200025704644 [0,0,1,0,0,1|2,0,0]=4 5519 B13R1.337 C[C@@H](Cl)COCCc1ccccc1 34a_100016084084_100000765856 [0,0,1,0,0,1|1,0,0]=3 5520 B13R1.337 C[C@@H](N)CCOCc1ccccc1 34a_100000706166_100015291786 [0,0,1,0,0,1|1,0,0]=3 5521 B13R1.337 C[C@@H](N)CCOCc1ccccn1 34a_100000706166_100000721315 [0,0,1,0,0,1|2,0,0]=4 5522 B13R1.337 C[C@@H](N)CCOCc1cccnc1 34a_100000706166_100000733263 [0,0,1,0,0,1|2,0,0]=4 5523 B13R1.337 C[C@@H](N)COCCc1ccccc1 34a_100000737577_100000765856 [0,0,1,0,0,1|1,0,0]=3 5524 B13R1.337 C[C@@H](O)CNCCc1ccccc1 2230a_100000106460_100009817552 [0,0,1,0,0,1|1,0,0]=3 5525 B13R1.337 C[C@@H](O)CNCCc1ccccc1 34a_100000106460_100009817552 [0,0,1,0,0,1|1,0,0]=3 5526 B13R1.337 C[C@@H](O)CNCCc1cccnc1 2230a_100000736294_100009817552 [0,0,1,0,0,1|2,0,0]=4 5527 B13R1.337 C[C@@H](O)COCCc1ccccc1 34a_100000210268_100009817552 [0,0,1,0,0,1|0,0,0]=2 5528 B13R1.337 C[C@@H](O)COCCc1ccccc1 7a_100000210268_100009817552 [0,0,1,0,0,1|0,0,0]=2 5529 B13R1.337 C[C@@H](O)COCCc1ccccn1 34a_100000210271_100009817552 [0,0,1,0,0,1|1,0,0]=3 5530 B13R1.337 C[C@@H](O)COCCc1cccnc1 34a_100011217484_100009817552 [0,0,1,0,0,1|1,0,0]=3 5531 B13R1.337 C[C@@H](O)COCCc1ccncc1 34a_100011216225_100009817552 [0,0,1,0,0,1|1,0,0]=3 5532 B13R1.337 C[C@@H](O)COCCc1cnccn1 34a_100011349526_100009817552 [0,0,1,0,0,1|2,0,0]=4 5533 B13R1.337 C[C@@H](O)COCCc1cncnc1 34a_100011709255_100009817552 [0,0,1,0,0,1|2,0,0]=4 5534 B13R1.337 C[C@@H](O)CSCCc1ccccc1 62a_100000765856_100009817552 [0,0,1,0,0,1|0,1,0]=3 5535 B13R1.337 C[C@@H](O)CSCCc1ccccc1 62a_100009817552_100011218657 [0,0,1,0,0,1|0,1,0]=3 5536 B13R1.337 C[C@@H](O)CSCCc1ccccn1 62a_100009817552_100015183660 [0,0,1,0,0,1|1,1,0]=4 5537 B13R1.337 C[C@@H](O)CSCCc1ccccn1 62a_100015183660_100009817552 [0,0,1,0,0,1|1,1,0]=4 5538 B13R1.337 C[C@@H](O)CSCCc1cccnc1 62a_100009817552_200011713674 [0,0,1,0,0,1|1,1,0]=4 5539 B13R1.337 C[C@@H](O)CSCCc1cccnc1 62a_200011713674_100009817552 [0,0,1,0,0,1|1,1,0]=4 5540 B13R1.337 C[C@@H](O)CSCCc1ccncc1 62a_100000723409_100009817552 [0,0,1,0,0,1|1,1,0]=4 5541 B13R1.337 C[C@@H](O)CSCCc1ccncc1 62a_100009817552_100000723409 [0,0,1,0,0,1|1,1,0]=4 5542 B13R1.337 C[C@@H](O)CSCSc1ccccc1 62a_100009817552_100011218342 [0,0,1,0,0,1|0,1,0]=3 5543 B13R1.337 C[C@@H](O)CSCSc1ccccc1 62a_100011218342_100009817552 [0,0,1,0,0,1|0,1,0]=3 5544 B13R1.337 FC(F)CCOCc1ccccc1 34a_100103093639_100015291786 [0,0,1,0,0,1|2,0,0]=4 5545 B13R1.337 FC(F)COCCc1ccccc1 34a_100000210268_100011934356 [0,0,1,0,0,1|2,0,0]=4 5546 B13R1.337 FC(F)COCCc1ccccc1 34a_100000743014_100000765856 [0,0,1,0,0,1|2,0,0]=4 5547 B13R1.337 FC(F)COCCc1ccccc1 7a_100000210268_100011934356 [0,0,1,0,0,1|2,0,0]=4 5548 B13R1.337 O=C(O)CONCc1ccccc1 269956a_100000106656_100015291786 [0,0,1,0,0,1|1,0,1]=4 5549 B13R1.337 [13CH3]C(=O)CCOCc1ccccc1 1458a_100000743319_200025704644 [0,0,1,0,0,1|0,0,2]=4 5550 B13R2.64 c1ccc(cc1)NC2CCCC2 34a_100000106764_100000179811 [1,0,0,0,0,1|2,0,0]=4 5551 B13R2.64 c1ccc(cc1)OC2CCCC2 34a_100000210340_100000179811 [1,0,0,0,0,1|2,0,0]=4 5552 B13R2.64 c1ccc(cc1)OC2CCCC2 7a_100000210340_100000179811 [1,0,0,0,0,1|2,0,0]=4 5553 B13R2.64 c1ccc(cc1)SC2CCCC2 62a_100000719477_100000179811 [1,0,0,0,0,1|2,0,0]=4 5554 B13R2.64 c1ccc(cc1)SC2CCCC2 62a_100011217020_100000041952 [1,0,0,0,0,1|2,0,0]=4 5555 B15R2.29 CC1CCC(CC1)Nc2ccccc2 34a_100000106764_200011216234 [0,0,0,0,0,2|2,0,0]=4 5556 B15R2.29 CC1CCC(CC1)Oc2ccccc2 34a_100000210340_200011216234 [0,0,0,0,0,2|2,0,0]=4 5557 B15R2.29 CC1CCC(CC1)Sc2ccccc2 62a_100000719477_200011216234 [0,0,0,0,0,2|2,0,0]=4 5558 B15R2.31 CN1CCOC(C1)Cc2ccccc2 2230a_100000697294_200000210301 [0,0,0,0,0,2|2,0,0]=4 5559 B15R2.31 CN1CCOC(C1)Cc2ccccc2 269982a_100000697294_200000210301 [0,0,0,0,0,2|2,0,0]=4 5560 B15R2.31 CN1CCOC(C1)Cc2ccccc2 34a_100000697294_200000210301 [0,0,0,0,0,2|2,0,0]=4 5561 B15R2.31 [13CH3]N1CCOC(C1)Cc2ccccc2 2230a_100000697294_200025704644 [0,0,0,0,0,2|2,0,0]=4 5562 B15R2.31 [13CH3]N1CCOC(C1)Cc2ccccc2 269982a_100000697294_200025704644 [0,0,0,0,0,2|2,0,0]=4 5563 B15R2.31 [13CH3]N1CCOC(C1)Cc2ccccc2 34a_100000697294_200025704644 [0,0,0,0,0,2|2,0,0]=4 5564 B15R2.283 CC1CCC(C1)NCc2ccccc2 270004a_100015324214_100011215218 [0,0,0,0,0,2|2,0,0]=4 5565 B15R2.283 CC1CCC(C1)OCc2ccccc2 34a_100000698185_100015291786 [0,0,0,0,0,2|2,0,0]=4