0 B4R0.1 C#CC(=O)C 1458a_100000211873_200000210301 [0,0,0,0,0,0|2,0,2]=4 1 B4R0.1 C#CC(=O)[13CH3] 1458a_100000211873_200025704644 [0,0,0,0,0,0|2,0,2]=4 2 B4R0.1 C=CC(=O)C 1458a_100000185746_200000210301 [0,0,0,0,0,0|2,0,1]=3 3 B4R0.1 C=CC(=O)[13CH3] 1458a_100000185746_200025704644 [0,0,0,0,0,0|2,0,1]=3 4 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [0,0,0,0,0,0|2,0,2]=4 5 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [0,0,0,0,0,0|1,0,3]=4 6 B4R0.1 CC(C)N[13CH3] 2230a_100138425928_200025704644 [0,0,0,0,0,0|2,0,0]=2 7 B4R0.1 CC(C)N[13CH3] 34a_100138425928_200025704644 [0,0,0,0,0,0|2,0,0]=2 8 B4R0.1 CC(C)O[13CH3] 34a_100000212225_200025704644 [0,0,0,0,0,0|2,0,0]=2 9 B4R0.1 CC(C)S[13CH3] 62a_100000210206_200025704644 [0,0,0,0,0,0|2,0,0]=2 10 B4R0.1 CC(C)S[13CH3] 62a_200025704644_100000210206 [0,0,0,0,0,0|2,0,0]=2 11 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [0,0,0,0,0,0|2,0,2]=4 12 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [0,0,0,0,0,0|2,0,2]=4 13 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [0,0,0,0,0,0|2,0,2]=4 14 B4R0.1 CCN(C)C 2230a_100000225621_200000210301 [0,0,0,0,0,0|2,0,1]=3 15 B4R0.1 CCN(C)C 2230a_100102631434_100000210202 [0,0,0,0,0,0|2,0,1]=3 16 B4R0.1 CCN(C)C 269982a_100000225621_200000210301 [0,0,0,0,0,0|2,0,1]=3 17 B4R0.1 CCN(C)C 269982a_100102631434_100000204670 [0,0,0,0,0,0|2,0,1]=3 18 B4R0.1 CCN(C)[13CH3] 2230a_100000225621_200025704644 [0,0,0,0,0,0|2,0,1]=3 19 B4R0.1 CCN(C)[13CH3] 269982a_100000225621_200025704644 [0,0,0,0,0,0|2,0,1]=3 20 B4R0.1 CN(C)CF 269982a_100102631434_100015361967 [0,0,0,0,0,0|2,0,1]=3 21 B4R0.1 CNC(=O)C 11a_106832991635_100015343762 [0,0,0,0,0,0|3,0,1]=4 22 B4R0.1 CNC(=O)C 1626a_100102657272_100015343762 [0,0,0,0,0,0|3,0,1]=4 23 B4R0.1 CNC(=O)C 240690a_100102657272_100015343762 [0,0,0,0,0,0|3,0,1]=4 24 B4R0.1 CNC(=O)C 527a_100102657272_100103153847 [0,0,0,0,0,0|3,0,1]=4 25 B4R0.1 CNC(C)C 2230a_100138425928_200000210301 [0,0,0,0,0,0|2,0,0]=2 26 B4R0.1 CNC(C)C 2230a_106832991635_100000210206 [0,0,0,0,0,0|2,0,0]=2 27 B4R0.1 CNC(C)C 34a_100102657272_100000210206 [0,0,0,0,0,0|2,0,0]=2 28 B4R0.1 CNC(C)C 34a_100138425928_200000210301 [0,0,0,0,0,0|2,0,0]=2 29 B4R0.1 CNC(C)C 7a_106832991635_100000210206 [0,0,0,0,0,0|2,0,0]=2 30 B4R0.1 COC(C)C 34a_100000212225_200000210301 [0,0,0,0,0,0|2,0,0]=2 31 B4R0.1 COC(C)C 34a_100138415774_100000210206 [0,0,0,0,0,0|2,0,0]=2 32 B4R0.1 CSC(C)C 62a_100000210206_200000210301 [0,0,0,0,0,0|2,0,0]=2 33 B4R0.1 CSC(C)C 62a_200000210301_100000210206 [0,0,0,0,0,0|2,0,0]=2 34 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [0,0,0,0,0,0|1,0,3]=4 35 B3R0.1 CCNC 2230a_100015525214_200000210301 [1,0,0,0,0,0|2,0,0]=3 36 B3R0.1 CCNC 2230a_106832991635_100000210202 [1,0,0,0,0,0|2,0,0]=3 37 B3R0.1 CCNC 34a_100102657272_100000210202 [1,0,0,0,0,0|2,0,0]=3 38 B3R0.1 CCNC 7a_106832991635_100000210202 [1,0,0,0,0,0|2,0,0]=3 39 B3R0.1 CCN[13CH3] 2230a_100015525214_200025704644 [1,0,0,0,0,0|2,0,0]=3 40 B3R0.1 CCOC 34a_100121572206_200000210301 [1,0,0,0,0,0|2,0,0]=3 41 B3R0.1 CCOC 34a_100138415774_100000210202 [1,0,0,0,0,0|2,0,0]=3 42 B3R0.1 CCO[13CH3] 34a_100121572206_200025704644 [1,0,0,0,0,0|2,0,0]=3 43 B3R0.1 CCSC 62a_100000210202_200000210301 [1,0,0,0,0,0|2,0,0]=3 44 B3R0.1 CCSC 62a_200000210301_100000210202 [1,0,0,0,0,0|2,0,0]=3 45 B3R0.1 CCS[13CH3] 62a_100000210202_200025704644 [1,0,0,0,0,0|2,0,0]=3 46 B3R0.1 CCS[13CH3] 62a_200025704644_100000210202 [1,0,0,0,0,0|2,0,0]=3 47 B3R0.1 CNCF 34a_100102657272_100015361967 [1,0,0,0,0,0|2,0,1]=4 48 B3R0.1 CNCF 7a_106832991635_100015361967 [1,0,0,0,0,0|2,0,1]=4 49 B3R0.1 COCF 34a_100138415774_100015361967 [1,0,0,0,0,0|2,0,1]=4 50 B3R0.1 CSCF 62a_100015361967_200000210301 [1,0,0,0,0,0|2,0,1]=4 51 B3R0.1 CSCF 62a_200000210301_100015361967 [1,0,0,0,0,0|2,0,1]=4 52 B3R0.1 [13CH3]SCF 62a_100015361967_200025704644 [1,0,0,0,0,0|2,0,1]=4 53 B3R0.1 [13CH3]SCF 62a_200025704644_100015361967 [1,0,0,0,0,0|2,0,1]=4 54 B3R0.2 CC(=O)C 1458a_100000070787_200000210301 [1,0,0,0,0,0|0,0,1]=2 55 B3R0.2 CC(=O)[13CH3] 1458a_100000070787_200025704644 [1,0,0,0,0,0|0,0,1]=2 56 B3R0.2 CN(C)C 2230a_100102631434_200000210301 [1,0,0,0,0,0|1,0,1]=3 57 B3R0.2 CN(C)C 269982a_100102631434_200000210301 [1,0,0,0,0,0|1,0,1]=3 58 B3R0.2 CN(C)[13CH3] 2230a_100102631434_200025704644 [1,0,0,0,0,0|1,0,1]=3 59 B3R0.2 CN(C)[13CH3] 269982a_100102631434_200025704644 [1,0,0,0,0,0|1,0,1]=3 60 B5R0.1 C#CCN(C)C 2230a_100000225692_200000210301 [0,1,0,0,0,0|2,0,1]=4 61 B5R0.1 C#CCN(C)C 2230a_100102631434_100000038162 [0,1,0,0,0,0|2,0,1]=4 62 B5R0.1 C#CCN(C)C 34a_100000225692_200000210301 [0,1,0,0,0,0|2,0,1]=4 63 B5R0.1 C#CCN(C)[13CH3] 2230a_100000225692_200025704644 [0,1,0,0,0,0|2,0,1]=4 64 B5R0.1 C#CCN(C)[13CH3] 34a_100000225692_200025704644 [0,1,0,0,0,0|2,0,1]=4 65 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [0,1,0,0,0,0|2,0,1]=4 66 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [0,1,0,0,0,0|2,0,1]=4 67 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [0,1,0,0,0,0|2,0,1]=4 68 B5R0.1 C=CCN(C)C 2230a_100000225617_200000210301 [0,1,0,0,0,0|2,0,0]=3 69 B5R0.1 C=CCN(C)C 2230a_100102631434_100000210623 [0,1,0,0,0,0|2,0,0]=3 70 B5R0.1 C=CCN(C)C 269982a_100000225617_200000210301 [0,1,0,0,0,0|2,0,0]=3 71 B5R0.1 C=CCN(C)C 269982a_100102631434_100000210623 [0,1,0,0,0,0|2,0,0]=3 72 B5R0.1 C=CCN(C)[13CH3] 2230a_100000225617_200025704644 [0,1,0,0,0,0|2,0,0]=3 73 B5R0.1 C=CCN(C)[13CH3] 269982a_100000225617_200025704644 [0,1,0,0,0,0|2,0,0]=3 74 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [0,1,0,0,0,0|2,0,1]=4 75 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [0,1,0,0,0,0|2,0,1]=4 76 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [0,1,0,0,0,0|2,0,1]=4 77 B5R0.1 CC(Br)CO[13CH3] 34a_100012180447_200025704644 [0,1,0,0,0,0|1,0,2]=4 78 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [0,1,0,0,0,0|1,0,1]=3 79 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [0,1,0,0,0,0|1,0,1]=3 80 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [0,1,0,0,0,0|0,0,2]=3 81 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [0,1,0,0,0,0|0,1,1]=3 82 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [0,1,0,0,0,0|0,1,1]=3 83 B5R0.1 CC(C)NCF 34a_100138425928_100015361967 [0,1,0,0,0,0|1,0,1]=3 84 B5R0.1 CC(C)OCF 34a_100000212225_100015361967 [0,1,0,0,0,0|1,0,1]=3 85 B5R0.1 CC(C)SCF 62a_100000210206_100015361967 [0,1,0,0,0,0|1,0,1]=3 86 B5R0.1 CC(C)SCF 62a_100015361967_100000210206 [0,1,0,0,0,0|1,0,1]=3 87 B5R0.1 CC(F)CO[13CH3] 34a_100015925927_200025704644 [0,1,0,0,0,0|1,0,2]=4 88 B5R0.1 CC(O)CN[13CH3] 2230a_100000210904_200025704644 [0,1,0,0,0,0|2,0,1]=4 89 B5R0.1 CC(O)CN[13CH3] 34a_100000210904_200025704644 [0,1,0,0,0,0|2,0,1]=4 90 B5R0.1 CC(O)CS[13CH3] 62a_100011218427_200025704644 [0,1,0,0,0,0|1,1,1]=4 91 B5R0.1 CC(O)CS[13CH3] 62a_200025704644_100011218427 [0,1,0,0,0,0|1,1,1]=4 92 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [0,1,0,0,0,0|2,0,1]=4 93 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [0,1,0,0,0,0|2,0,1]=4 94 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [0,1,0,0,0,0|2,0,1]=4 95 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [0,1,0,0,0,0|2,0,1]=4 96 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [0,1,0,0,0,0|2,0,1]=4 97 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [0,1,0,0,0,0|2,0,1]=4 98 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [0,1,0,0,0,0|2,0,1]=4 99 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [0,1,0,0,0,0|2,0,1]=4 100 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [0,1,0,0,0,0|1,0,1]=3 101 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [0,1,0,0,0,0|1,0,1]=3 102 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [0,1,0,0,0,0|1,0,1]=3 103 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [0,1,0,0,0,0|1,0,1]=3 104 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [0,1,0,0,0,0|1,0,1]=3 105 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [0,1,0,0,0,0|1,0,1]=3 106 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [0,1,0,0,0,0|1,0,1]=3 107 B5R0.1 CN(C)CC#N 2230a_100000748184_200000210301 [0,1,0,0,0,0|2,0,1]=4 108 B5R0.1 CN(C)CC#N 2230a_100102631434_100011215382 [0,1,0,0,0,0|2,0,1]=4 109 B5R0.1 CN(C)CC#N 269982a_100102631434_100011214920 [0,1,0,0,0,0|2,0,1]=4 110 B5R0.1 CN(C)CC=O 2230a_100102631434_200015260668 [0,1,0,0,0,0|1,0,0]=2 111 B5R0.1 CN(C)CC=O 269982a_100102631434_200015260668 [0,1,0,0,0,0|1,0,0]=2 112 B5R0.1 CN(C)CCF 2230a_100102631434_100011217306 [0,1,0,0,0,0|2,0,1]=4 113 B5R0.1 CN(C)CCF 269982a_100102631434_100011217306 [0,1,0,0,0,0|2,0,1]=4 114 B5R0.1 CN(C)CCO 2230a_100000210263_200000210301 [0,1,0,0,0,0|1,0,2]=4 115 B5R0.1 CN(C)CCO 2230a_100102631434_100000211926 [0,1,0,0,0,0|1,0,2]=4 116 B5R0.1 CN(C)CCO 269982a_100000210263_200000210301 [0,1,0,0,0,0|1,0,2]=4 117 B5R0.1 CN(C)CCO 269982a_100102631434_100000211926 [0,1,0,0,0,0|1,0,2]=4 118 B5R0.1 CN([13CH3])CC#N 2230a_100000748184_200025704644 [0,1,0,0,0,0|2,0,1]=4 119 B5R0.1 CN([13CH3])CCO 2230a_100000210263_200025704644 [0,1,0,0,0,0|1,0,2]=4 120 B5R0.1 CN([13CH3])CCO 269982a_100000210263_200025704644 [0,1,0,0,0,0|1,0,2]=4 121 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [0,1,0,0,0,0|1,0,1]=3 122 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [0,1,0,0,0,0|1,0,1]=3 123 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [0,1,0,0,0,0|1,0,1]=3 124 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [0,1,0,0,0,0|1,0,1]=3 125 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [0,1,0,0,0,0|1,0,1]=3 126 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [0,1,0,0,0,0|1,0,1]=3 127 B5R0.1 CNCC(C)O 2230a_100000210904_200000210301 [0,1,0,0,0,0|2,0,1]=4 128 B5R0.1 CNCC(C)O 2230a_106832991635_100011218427 [0,1,0,0,0,0|2,0,1]=4 129 B5R0.1 CNCC(C)O 34a_100000210904_200000210301 [0,1,0,0,0,0|2,0,1]=4 130 B5R0.1 CNCC(C)O 34a_100102657272_100011218427 [0,1,0,0,0,0|2,0,1]=4 131 B5R0.1 CNCC(C)O 7a_106832991635_100011218427 [0,1,0,0,0,0|2,0,1]=4 132 B5R0.1 CNC[C@@H](C)O 2230a_106832991635_100009817552 [0,1,0,0,0,0|2,0,1]=4 133 B5R0.1 CNC[C@@H](C)O 34a_100102657272_100009817552 [0,1,0,0,0,0|2,0,1]=4 134 B5R0.1 CNC[C@@H](C)O 7a_106832991635_100009817552 [0,1,0,0,0,0|2,0,1]=4 135 B5R0.1 COCC(C)Br 34a_100012180447_200000210301 [0,1,0,0,0,0|1,0,2]=4 136 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [0,1,0,0,0,0|0,0,2]=3 137 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [0,1,0,0,0,0|0,0,2]=3 138 B5R0.1 COCC(C)F 34a_100015925927_200000210301 [0,1,0,0,0,0|1,0,2]=4 139 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [0,1,0,0,0,0|1,0,2]=4 140 B5R0.1 COCN(C)C 2230a_100102631434_100000766300 [0,1,0,0,0,0|1,0,2]=4 141 B5R0.1 COCN(C)C 269982a_100102631434_100000766300 [0,1,0,0,0,0|1,0,2]=4 142 B5R0.1 COC[C@@H](C)Cl 34a_100016084084_200000210301 [0,1,0,0,0,0|1,0,2]=4 143 B5R0.1 COC[C@@H](C)N 34a_100000737577_200000210301 [0,1,0,0,0,0|1,0,2]=4 144 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [0,1,0,0,0,0|1,0,2]=4 145 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [0,1,0,0,0,0|0,1,1]=3 146 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [0,1,0,0,0,0|0,1,1]=3 147 B5R0.1 CSCC(C)O 62a_100011218427_200000210301 [0,1,0,0,0,0|1,1,1]=4 148 B5R0.1 CSCC(C)O 62a_200000210301_100011218427 [0,1,0,0,0,0|1,1,1]=4 149 B5R0.1 CSCN(C)C 2230a_100102631434_100011218213 [0,1,0,0,0,0|1,1,1]=4 150 B5R0.1 CSCN(C)C 269982a_100102631434_100011218213 [0,1,0,0,0,0|1,1,1]=4 151 B5R0.1 CSC[C@@H](C)O 62a_100009817552_200000210301 [0,1,0,0,0,0|1,1,1]=4 152 B5R0.1 CSC[C@@H](C)O 62a_200000210301_100009817552 [0,1,0,0,0,0|1,1,1]=4 153 B5R0.1 C[C@@H](Cl)CO[13CH3] 34a_100016084084_200025704644 [0,1,0,0,0,0|1,0,2]=4 154 B5R0.1 C[C@@H](N)CO[13CH3] 34a_100000737577_200025704644 [0,1,0,0,0,0|1,0,2]=4 155 B5R0.1 C[C@@H](O)CS[13CH3] 62a_100009817552_200025704644 [0,1,0,0,0,0|1,1,1]=4 156 B5R0.1 C[C@@H](O)CS[13CH3] 62a_200025704644_100009817552 [0,1,0,0,0,0|1,1,1]=4 157 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [0,1,0,0,0,0|2,0,1]=4 158 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [0,1,0,0,0,0|2,0,1]=4 159 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [0,1,0,0,0,0|2,0,1]=4 160 B5R0.3 C#CC(C)NC 2230a_100000707721_200000210301 [0,1,0,0,0,0|1,0,1]=3 161 B5R0.3 C#CC(C)NC 34a_100000707721_200000210301 [0,1,0,0,0,0|1,0,1]=3 162 B5R0.3 C#CC(C)NC 34a_100102657272_200000035995 [0,1,0,0,0,0|1,0,1]=3 163 B5R0.3 C#CC(C)N[13CH3] 2230a_100000707721_200025704644 [0,1,0,0,0,0|1,0,1]=3 164 B5R0.3 C#CC(C)N[13CH3] 34a_100000707721_200025704644 [0,1,0,0,0,0|1,0,1]=3 165 B5R0.3 C#CC(C)OC 34a_100138415774_200000035995 [0,1,0,0,0,0|1,0,1]=3 166 B5R0.3 C#CC(C)SC 62a_200000035995_200000210301 [0,1,0,0,0,0|1,0,1]=3 167 B5R0.3 C#CC(C)S[13CH3] 62a_200000035995_200025704644 [0,1,0,0,0,0|1,0,1]=3 168 B5R0.3 C#C[C@@H](C)OC 34a_100009815206_200000210301 [0,1,0,0,0,0|1,0,1]=3 169 B5R0.3 C#C[C@@H](C)OC 7a_100009815206_200000210301 [0,1,0,0,0,0|1,0,1]=3 170 B5R0.3 C#C[C@@H](C)O[13CH3] 34a_100009815206_200025704644 [0,1,0,0,0,0|1,0,1]=3 171 B5R0.3 C#C[C@@H](C)O[13CH3] 7a_100009815206_200025704644 [0,1,0,0,0,0|1,0,1]=3 172 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [0,1,0,0,0,0|2,0,1]=4 173 B5R0.3 C=CC(=O)CF 1458a_100000185746_100015361967 [0,1,0,0,0,0|2,0,1]=4 174 B5R0.3 C=CC(=O)NC 1626a_100102657272_100000185746 [0,1,0,0,0,0|2,0,1]=4 175 B5R0.3 C=CC(=O)NC 240690a_100102657272_200121576911 [0,1,0,0,0,0|2,0,1]=4 176 B5R0.3 C=CC(C)OC 34a_100000695699_200000210301 [0,1,0,0,0,0|1,0,0]=2 177 B5R0.3 C=CC(C)O[13CH3] 34a_100000695699_200025704644 [0,1,0,0,0,0|1,0,0]=2 178 B5R0.3 C=CC(C)SC 62a_100011215867_200000210301 [0,1,0,0,0,0|1,0,0]=2 179 B5R0.3 C=CC(C)S[13CH3] 62a_100011215867_200025704644 [0,1,0,0,0,0|1,0,0]=2 180 B5R0.3 CC(C#N)N[13CH3] 2230a_100000737613_200025704644 [0,1,0,0,0,0|1,0,1]=3 181 B5R0.3 CC(C#N)O[13CH3] 34a_100011218135_200025704644 [0,1,0,0,0,0|1,0,1]=3 182 B5R0.3 CC(C#N)S[13CH3] 62a_100000703298_200025704644 [0,1,0,0,0,0|1,0,1]=3 183 B5R0.3 CC(C#N)S[13CH3] 62a_200025704644_100000703298 [0,1,0,0,0,0|1,0,1]=3 184 B5R0.3 CC(CF)O[13CH3] 34a_100016041109_200025704644 [0,1,0,0,0,0|1,0,1]=3 185 B5R0.3 CC(CF)O[13CH3] 7a_100016041109_200025704644 [0,1,0,0,0,0|1,0,1]=3 186 B5R0.3 CC(CN)O[13CH3] 34a_100000210904_200025704644 [0,1,0,0,0,0|1,0,1]=3 187 B5R0.3 CC(CO)S[13CH3] 62a_100012180447_200025704644 [0,1,0,0,0,0|0,0,2]=3 188 B5R0.3 CCC(C)NC 2230a_100000209981_200000210301 [0,1,0,0,0,0|1,0,1]=3 189 B5R0.3 CCC(C)NC 2230a_106832991635_100000758301 [0,1,0,0,0,0|1,0,1]=3 190 B5R0.3 CCC(C)NC 34a_100102657272_100011215416 [0,1,0,0,0,0|1,0,1]=3 191 B5R0.3 CCC(C)NC 7a_106832991635_100000758301 [0,1,0,0,0,0|1,0,1]=3 192 B5R0.3 CCC(C)N[13CH3] 2230a_100000209981_200025704644 [0,1,0,0,0,0|1,0,1]=3 193 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [0,1,0,0,0,0|1,0,1]=3 194 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [0,1,0,0,0,0|1,0,1]=3 195 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [0,1,0,0,0,0|1,0,1]=3 196 B5R0.3 CCC(C)SC 62a_100000758301_200000210301 [0,1,0,0,0,0|1,0,1]=3 197 B5R0.3 CCC(C)SC 62a_200000210301_100000758301 [0,1,0,0,0,0|1,0,1]=3 198 B5R0.3 CCC(C)S[13CH3] 62a_100000758301_200025704644 [0,1,0,0,0,0|1,0,1]=3 199 B5R0.3 CCC(C)S[13CH3] 62a_200025704644_100000758301 [0,1,0,0,0,0|1,0,1]=3 200 B5R0.3 CCN(C)CC 2230a_100000225621_100000210202 [0,1,0,0,0,0|2,0,1]=4 201 B5R0.3 CCN(C)CC 2230a_100000724800_200000210301 [0,1,0,0,0,0|2,0,1]=4 202 B5R0.3 CCN(C)CC 269956a_100000042499_200000210301 [0,1,0,0,0,0|2,0,1]=4 203 B5R0.3 CCN(C)CC 269982a_100000225621_100000204670 [0,1,0,0,0,0|2,0,1]=4 204 B5R0.3 CCN(C)CC 269982a_100000724800_200000210301 [0,1,0,0,0,0|2,0,1]=4 205 B5R0.3 CCN(C)CF 269982a_100000225621_100015361967 [0,1,0,0,0,0|2,0,1]=4 206 B5R0.3 CCN([13CH3])CC 2230a_100000724800_200025704644 [0,1,0,0,0,0|2,0,1]=4 207 B5R0.3 CCN([13CH3])CC 269956a_100000042499_200025704644 [0,1,0,0,0,0|2,0,1]=4 208 B5R0.3 CCN([13CH3])CC 269982a_100000724800_200025704644 [0,1,0,0,0,0|2,0,1]=4 209 B5R0.3 CNC(C)C#N 2230a_100000737613_200000210301 [0,1,0,0,0,0|1,0,1]=3 210 B5R0.3 CNC(C)C#N 2230a_106832991635_100000184139 [0,1,0,0,0,0|1,0,1]=3 211 B5R0.3 CNC(C)C#N 7a_106832991635_100000703298 [0,1,0,0,0,0|1,0,1]=3 212 B5R0.3 CNC(C)CO 2230a_106832991635_100012180447 [0,1,0,0,0,0|0,0,2]=3 213 B5R0.3 CNC(C)CO 34a_100102657272_100012180447 [0,1,0,0,0,0|0,0,2]=3 214 B5R0.3 CNC(C)CO 7a_106832991635_100012180447 [0,1,0,0,0,0|0,0,2]=3 215 B5R0.3 CN[C@H](C)CO 2230a_100000737577_200000210301 [0,1,0,0,0,0|0,0,2]=3 216 B5R0.3 COC(C)C#N 34a_100011218135_200000210301 [0,1,0,0,0,0|1,0,1]=3 217 B5R0.3 COC(C)CF 34a_100016041109_200000210301 [0,1,0,0,0,0|1,0,1]=3 218 B5R0.3 COC(C)CF 7a_100016041109_200000210301 [0,1,0,0,0,0|1,0,1]=3 219 B5R0.3 COC(C)CN 34a_100000210904_200000210301 [0,1,0,0,0,0|1,0,1]=3 220 B5R0.3 COC(C)CO 34a_100138415774_100012180447 [0,1,0,0,0,0|0,0,2]=3 221 B5R0.3 COC(C)SC 62a_100009879195_200000210301 [0,1,0,0,0,0|2,0,0]=3 222 B5R0.3 COC(C)SC 62a_200000210301_100009879195 [0,1,0,0,0,0|2,0,0]=3 223 B5R0.3 COC(C)S[13CH3] 62a_100009879195_200025704644 [0,1,0,0,0,0|2,0,0]=3 224 B5R0.3 COC(C)S[13CH3] 62a_200025704644_100009879195 [0,1,0,0,0,0|2,0,0]=3 225 B5R0.3 CSC(C)C#N 62a_100000703298_200000210301 [0,1,0,0,0,0|1,0,1]=3 226 B5R0.3 CSC(C)C#N 62a_200000210301_100000703298 [0,1,0,0,0,0|1,0,1]=3 227 B5R0.3 CSC(C)CO 62a_100012180447_200000210301 [0,1,0,0,0,0|0,0,2]=3 228 B5R0.3 CSC(F)C#N 62a_200000117898_200000210301 [0,1,0,0,0,0|2,0,1]=4 229 B5R0.3 CSC(F)C#N 62a_200000210301_200000117898 [0,1,0,0,0,0|2,0,1]=4 230 B5R0.3 CS[C@H](C)CO 62a_100016084084_200000210301 [0,1,0,0,0,0|0,0,2]=3 231 B5R0.3 CS[C@H](C)CO 62a_200000210301_100016084084 [0,1,0,0,0,0|0,0,2]=3 232 B5R0.3 C[C@H](CO)N[13CH3] 2230a_100000737577_200025704644 [0,1,0,0,0,0|0,0,2]=3 233 B5R0.3 C[C@H](CO)S[13CH3] 62a_100016084084_200025704644 [0,1,0,0,0,0|0,0,2]=3 234 B5R0.3 C[C@H](CO)S[13CH3] 62a_200025704644_100016084084 [0,1,0,0,0,0|0,0,2]=3 235 B5R0.3 [13CH3]SC(F)C#N 62a_200000117898_200025704644 [0,1,0,0,0,0|2,0,1]=4 236 B5R0.3 [13CH3]SC(F)C#N 62a_200025704644_200000117898 [0,1,0,0,0,0|2,0,1]=4 237 B5R0.4 CC(C)(C)N[13CH3] 2230a_100000715429_200025704644 [0,1,0,0,0,0|2,0,0]=3 238 B5R0.4 CC(C)(C)O[13CH3] 34a_100015890283_200025704644 [0,1,0,0,0,0|2,0,0]=3 239 B5R0.4 CC(C)(C)O[13CH3] 7a_100015890283_200025704644 [0,1,0,0,0,0|2,0,0]=3 240 B5R0.4 CC(C)(C)S[13CH3] 62a_100000211941_200025704644 [0,1,0,0,0,0|2,0,0]=3 241 B5R0.4 CC(C)(C)S[13CH3] 62a_200025704644_100000211941 [0,1,0,0,0,0|2,0,0]=3 242 B5R0.4 CNC(C)(C)C 2230a_100000715429_200000210301 [0,1,0,0,0,0|2,0,0]=3 243 B5R0.4 CNC(C)(C)C 34a_100102657272_100000210625 [0,1,0,0,0,0|2,0,0]=3 244 B5R0.4 COC(C)(C)C 34a_100015890283_200000210301 [0,1,0,0,0,0|2,0,0]=3 245 B5R0.4 COC(C)(C)C 34a_100138415774_100000210625 [0,1,0,0,0,0|2,0,0]=3 246 B5R0.4 COC(C)(C)C 7a_100015890283_200000210301 [0,1,0,0,0,0|2,0,0]=3 247 B5R0.4 CSC(C)(C)C 62a_100000211941_200000210301 [0,1,0,0,0,0|2,0,0]=3 248 B5R0.4 CSC(C)(C)C 62a_200000210301_100000211941 [0,1,0,0,0,0|2,0,0]=3 249 B5R0.5 C=C(C)C(=O)C 1458a_100000185857_200000210301 [0,1,0,0,0,0|0,0,2]=3 250 B5R0.5 C=C(C)C(=O)[13CH3] 1458a_100000185857_200025704644 [0,1,0,0,0,0|0,0,2]=3 251 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [0,1,0,0,0,0|0,0,0]=1 252 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [0,1,0,0,0,0|0,0,0]=1 253 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [0,1,0,0,0,0|1,0,0]=2 254 B5R0.5 CC(=O)C(O)O 1458a_100000233687_200000210301 [0,1,0,0,0,0|2,0,0]=3 255 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [0,1,0,0,0,0|1,0,0]=2 256 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [0,1,0,0,0,0|1,0,0]=2 257 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [0,1,0,0,0,0|1,0,0]=2 258 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [0,1,0,0,0,0|1,0,0]=2 259 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [0,1,0,0,0,0|1,0,0]=2 260 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [0,1,0,0,0,0|1,0,0]=2 261 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [0,1,0,0,0,0|0,0,0]=1 262 B5R0.5 CC(C)N(C)C 2230a_100102631434_100000210206 [0,1,0,0,0,0|2,0,0]=3 263 B5R0.5 CC(C)N(C)C 269982a_100102631434_100000210206 [0,1,0,0,0,0|2,0,0]=3 264 B5R0.5 CC(C)N(C)C 269982a_200000211004_200000210301 [0,1,0,0,0,0|2,0,0]=3 265 B5R0.5 CC(C)N(C)[13CH3] 269982a_200000211004_200025704644 [0,1,0,0,0,0|2,0,0]=3 266 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [0,1,0,0,0,0|1,0,0]=2 267 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [0,1,0,0,0,0|1,0,0]=2 268 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [0,1,0,0,0,0|1,0,0]=2 269 B5R0.5 [13CH3]C(=O)C(O)O 1458a_100000233687_200025704644 [0,1,0,0,0,0|2,0,0]=3 270 B5R1.2 CN1CCC1 269982a_100000754969_200000210301 [0,0,0,1,0,0|2,0,1]=4 271 B5R1.2 [13CH3]N1CCC1 269982a_100000754969_200025704644 [0,0,0,1,0,0|2,0,1]=4 272 B5R1.3 CNC1CC1 34a_100000212008_200000210301 [0,0,0,1,0,0|2,0,0]=3 273 B5R1.3 CNC1CC1 34a_100102657272_100000211595 [0,0,0,1,0,0|2,0,0]=3 274 B5R1.3 COC1CC1 34a_100138415774_100000211595 [0,0,0,1,0,0|2,0,0]=3 275 B5R1.3 CSC1CC1 62a_200000210301_100000211595 [0,0,0,1,0,0|2,0,0]=3 276 B5R1.3 [13CH3]NC1CC1 34a_100000212008_200025704644 [0,0,0,1,0,0|2,0,0]=3 277 B5R1.3 [13CH3]SC1CC1 62a_200025704644_100000211595 [0,0,0,1,0,0|2,0,0]=3 278 B2R0.1 CNC 2230a_106832991635_200000210301 [2,0,0,0,0,0|1,0,0]=3 279 B2R0.1 CNC 34a_100102657272_200000210301 [2,0,0,0,0,0|1,0,0]=3 280 B2R0.1 CNC 7a_106832991635_200000210301 [2,0,0,0,0,0|1,0,0]=3 281 B2R0.1 CN[13CH3] 2230a_106832991635_200025704644 [2,0,0,0,0,0|1,0,0]=3 282 B2R0.1 CN[13CH3] 34a_100102657272_200025704644 [2,0,0,0,0,0|1,0,0]=3 283 B2R0.1 CN[13CH3] 7a_106832991635_200025704644 [2,0,0,0,0,0|1,0,0]=3 284 B2R0.1 COC 34a_100138415774_200000210301 [2,0,0,0,0,0|1,0,0]=3 285 B2R0.1 CO[13CH3] 34a_100138415774_200025704644 [2,0,0,0,0,0|1,0,0]=3 286 B2R0.1 CSC 62a_200000210301_200000210301 [2,0,0,0,0,0|1,0,0]=3 287 B2R0.1 CS[13CH3] 62a_200000210301_200025704644 [2,0,0,0,0,0|1,0,0]=3 288 B2R0.1 CS[13CH3] 62a_200025704644_200000210301 [2,0,0,0,0,0|1,0,0]=3 289 B2R0.1 [13CH3]S[13CH3] 62a_200025704644_200025704644 [2,0,0,0,0,0|1,0,0]=3 290 B4R0.2 C#CCNC 2230a_106832991635_100000038162 [1,1,0,0,0,0|1,0,1]=4 291 B4R0.2 C#CCNC 34a_100000212058_200000210301 [1,1,0,0,0,0|1,0,1]=4 292 B4R0.2 C#CCNC 34a_100102657272_100000184674 [1,1,0,0,0,0|1,0,1]=4 293 B4R0.2 C#CCNC 7a_106832991635_100000038162 [1,1,0,0,0,0|1,0,1]=4 294 B4R0.2 C#CCN[13CH3] 34a_100000212058_200025704644 [1,1,0,0,0,0|1,0,1]=4 295 B4R0.2 C#CCOC 34a_100000210247_200000210301 [1,1,0,0,0,0|1,0,1]=4 296 B4R0.2 C#CCOC 34a_100138415774_100000184674 [1,1,0,0,0,0|1,0,1]=4 297 B4R0.2 C#CCO[13CH3] 34a_100000210247_200025704644 [1,1,0,0,0,0|1,0,1]=4 298 B4R0.2 C#CCSC 62a_100000038162_200000210301 [1,1,0,0,0,0|1,0,1]=4 299 B4R0.2 C#CCS[13CH3] 62a_100000038162_200025704644 [1,1,0,0,0,0|1,0,1]=4 300 B4R0.2 C=CCNC 2230a_100020586998_200000210301 [1,1,0,0,0,0|1,0,0]=3 301 B4R0.2 C=CCNC 2230a_106832991635_100000210623 [1,1,0,0,0,0|1,0,0]=3 302 B4R0.2 C=CCNC 34a_100102657272_100015514636 [1,1,0,0,0,0|1,0,0]=3 303 B4R0.2 C=CCNC 7a_106832991635_100015514636 [1,1,0,0,0,0|1,0,0]=3 304 B4R0.2 C=CCN[13CH3] 2230a_100020586998_200025704644 [1,1,0,0,0,0|1,0,0]=3 305 B4R0.2 C=CCOC 34a_100138415774_100015514636 [1,1,0,0,0,0|1,0,0]=3 306 B4R0.2 C=CCOC 34a_200000210373_200000210301 [1,1,0,0,0,0|1,0,0]=3 307 B4R0.2 C=CCO[13CH3] 34a_200000210373_200025704644 [1,1,0,0,0,0|1,0,0]=3 308 B4R0.2 C=CCSC 62a_100000210623_200000210301 [1,1,0,0,0,0|1,0,0]=3 309 B4R0.2 C=CCSC 62a_200000210301_100000210623 [1,1,0,0,0,0|1,0,0]=3 310 B4R0.2 C=CCS[13CH3] 62a_100000210623_200025704644 [1,1,0,0,0,0|1,0,0]=3 311 B4R0.2 C=CCS[13CH3] 62a_200025704644_100000210623 [1,1,0,0,0,0|1,0,0]=3 312 B4R0.2 CCCNC 2230a_106832991635_100000210303 [1,1,0,0,0,0|1,0,1]=4 313 B4R0.2 CCCNC 34a_100102657272_100000210303 [1,1,0,0,0,0|1,0,1]=4 314 B4R0.2 CCCNC 7a_106832991635_100000210303 [1,1,0,0,0,0|1,0,1]=4 315 B4R0.2 CCCOC 34a_100000210258_200000210301 [1,1,0,0,0,0|0,0,2]=4 316 B4R0.2 CCCOC 34a_100138415774_100000210303 [1,1,0,0,0,0|0,0,2]=4 317 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [1,1,0,0,0,0|0,0,2]=4 318 B4R0.2 CCCSC 62a_100000210303_200000210301 [1,1,0,0,0,0|0,1,1]=4 319 B4R0.2 CCCSC 62a_200000210301_100000210303 [1,1,0,0,0,0|0,1,1]=4 320 B4R0.2 CCCS[13CH3] 62a_100000210303_200025704644 [1,1,0,0,0,0|0,1,1]=4 321 B4R0.2 CCCS[13CH3] 62a_200025704644_100000210303 [1,1,0,0,0,0|0,1,1]=4 322 B4R0.2 CCNCC 2230a_100015525214_100000210202 [1,1,0,0,0,0|1,0,1]=4 323 B4R0.2 CCOCC 34a_100121572206_100000210202 [1,1,0,0,0,0|1,0,1]=4 324 B4R0.2 CCOCF 34a_100121572206_100015361967 [1,1,0,0,0,0|1,0,1]=4 325 B4R0.2 CCSCC 62a_100000210202_100000210202 [1,1,0,0,0,0|1,0,1]=4 326 B4R0.2 CCSCF 62a_100000210202_100015361967 [1,1,0,0,0,0|1,0,1]=4 327 B4R0.2 CCSCF 62a_100015361967_100000210202 [1,1,0,0,0,0|1,0,1]=4 328 B4R0.2 CNCC#N 2230a_106832991635_100011215382 [1,1,0,0,0,0|1,0,1]=4 329 B4R0.2 CNCC#N 7a_106832991635_100011215382 [1,1,0,0,0,0|1,0,1]=4 330 B4R0.2 CNCC=O 2230a_106832991635_200015260668 [1,1,0,0,0,0|0,0,0]=2 331 B4R0.2 CNCC=O 34a_100102657272_200009817547 [1,1,0,0,0,0|0,0,0]=2 332 B4R0.2 CNCC=O 7a_106832991635_200015260668 [1,1,0,0,0,0|0,0,0]=2 333 B4R0.2 CNCCF 2230a_106832991635_100011217306 [1,1,0,0,0,0|1,0,1]=4 334 B4R0.2 CNCCF 34a_100000724931_200000210301 [1,1,0,0,0,0|1,0,1]=4 335 B4R0.2 CNCCF 34a_100102657272_100011217306 [1,1,0,0,0,0|1,0,1]=4 336 B4R0.2 CNCCF 7a_106832991635_100011217306 [1,1,0,0,0,0|1,0,1]=4 337 B4R0.2 CNCCO 2230a_100016997473_200000210301 [1,1,0,0,0,0|0,0,2]=4 338 B4R0.2 CNCCO 2230a_106832991635_100000211926 [1,1,0,0,0,0|0,0,2]=4 339 B4R0.2 CNCCO 34a_100016990907_200000210301 [1,1,0,0,0,0|0,0,2]=4 340 B4R0.2 CNCCO 34a_100102657272_100000211926 [1,1,0,0,0,0|0,0,2]=4 341 B4R0.2 CNCCO 7a_106832991635_100000211926 [1,1,0,0,0,0|0,0,2]=4 342 B4R0.2 CNCOC 2230a_106832991635_100000766300 [1,1,0,0,0,0|2,0,0]=4 343 B4R0.2 CNCSC 2230a_106832991635_100011218213 [1,1,0,0,0,0|2,0,0]=4 344 B4R0.2 CNCSC 34a_100102657272_100011218213 [1,1,0,0,0,0|2,0,0]=4 345 B4R0.2 COCC=O 34a_100138415774_200009817547 [1,1,0,0,0,0|0,0,0]=2 346 B4R0.2 COCCBr 34a_100000211926_200000210301 [1,1,0,0,0,0|1,0,1]=4 347 B4R0.2 COCCF 34a_100138415774_100011217306 [1,1,0,0,0,0|1,0,1]=4 348 B4R0.2 COCCN 34a_100000210304_200000210301 [1,1,0,0,0,0|1,0,1]=4 349 B4R0.2 COCCO 34a_100138415774_100000211926 [1,1,0,0,0,0|0,0,2]=4 350 B4R0.2 COCSC 34a_100138415774_100011218213 [1,1,0,0,0,0|2,0,0]=4 351 B4R0.2 COCSC 62a_100000766300_200000210301 [1,1,0,0,0,0|2,0,0]=4 352 B4R0.2 COCSC 62a_200000210301_100000766300 [1,1,0,0,0,0|2,0,0]=4 353 B4R0.2 COCS[13CH3] 62a_100000766300_200025704644 [1,1,0,0,0,0|2,0,0]=4 354 B4R0.2 COCS[13CH3] 62a_200025704644_100000766300 [1,1,0,0,0,0|2,0,0]=4 355 B4R0.2 CSCC#N 62a_100011215382_200000210301 [1,1,0,0,0,0|1,0,1]=4 356 B4R0.2 CSCC#N 62a_200000210301_100011215382 [1,1,0,0,0,0|1,0,1]=4 357 B4R0.2 CSCC=O 62a_200000210301_200015260668 [1,1,0,0,0,0|0,0,0]=2 358 B4R0.2 CSCC=O 62a_200015260668_200000210301 [1,1,0,0,0,0|0,0,0]=2 359 B4R0.2 CSCCF 62a_100011217306_200000210301 [1,1,0,0,0,0|1,0,1]=4 360 B4R0.2 CSCCF 62a_200000210301_100011217306 [1,1,0,0,0,0|1,0,1]=4 361 B4R0.2 CSCCO 62a_100000211926_200000210301 [1,1,0,0,0,0|0,0,2]=4 362 B4R0.2 CSCCO 62a_200000210301_100000211926 [1,1,0,0,0,0|0,0,2]=4 363 B4R0.2 CSCSC 62a_100011218213_200000210301 [1,1,0,0,0,0|2,0,0]=4 364 B4R0.2 CSCSC 62a_200000210301_100011218213 [1,1,0,0,0,0|2,0,0]=4 365 B4R0.2 CSCS[13CH3] 62a_100011218213_200025704644 [1,1,0,0,0,0|2,0,0]=4 366 B4R0.2 CSCS[13CH3] 62a_200025704644_100011218213 [1,1,0,0,0,0|2,0,0]=4 367 B4R0.2 [13CH3]NCCF 34a_100000724931_200025704644 [1,1,0,0,0,0|1,0,1]=4 368 B4R0.2 [13CH3]NCCO 2230a_100016997473_200025704644 [1,1,0,0,0,0|0,0,2]=4 369 B4R0.2 [13CH3]NCCO 34a_100016990907_200025704644 [1,1,0,0,0,0|0,0,2]=4 370 B4R0.2 [13CH3]OCCBr 34a_100000211926_200025704644 [1,1,0,0,0,0|1,0,1]=4 371 B4R0.2 [13CH3]OCCN 34a_100000210304_200025704644 [1,1,0,0,0,0|1,0,1]=4 372 B4R0.2 [13CH3]SCC#N 62a_100011215382_200025704644 [1,1,0,0,0,0|1,0,1]=4 373 B4R0.2 [13CH3]SCC#N 62a_200025704644_100011215382 [1,1,0,0,0,0|1,0,1]=4 374 B4R0.2 [13CH3]SCC=O 62a_200015260668_200025704644 [1,1,0,0,0,0|0,0,0]=2 375 B4R0.2 [13CH3]SCC=O 62a_200025704644_200015260668 [1,1,0,0,0,0|0,0,0]=2 376 B4R0.2 [13CH3]SCCF 62a_100011217306_200025704644 [1,1,0,0,0,0|1,0,1]=4 377 B4R0.2 [13CH3]SCCF 62a_200025704644_100011217306 [1,1,0,0,0,0|1,0,1]=4 378 B4R0.2 [13CH3]SCCO 62a_100000211926_200025704644 [1,1,0,0,0,0|0,0,2]=4 379 B4R0.2 [13CH3]SCCO 62a_200025704644_100000211926 [1,1,0,0,0,0|0,0,2]=4 380 B6R0.1 C#CC(C)NCC 2230a_100000707721_100000210202 [0,2,0,0,0,0|1,0,1]=4 381 B6R0.1 C#CC(C)NCC 34a_100000707721_100000210202 [0,2,0,0,0,0|1,0,1]=4 382 B6R0.1 C#CC(C)NCF 34a_100000707721_100015361967 [0,2,0,0,0,0|1,0,1]=4 383 B6R0.1 C#CC(C)OCC 34a_100121572206_200000035995 [0,2,0,0,0,0|1,0,1]=4 384 B6R0.1 C#CC(C)SCC 62a_200000035995_100000210202 [0,2,0,0,0,0|1,0,1]=4 385 B6R0.1 C#CC(C)SCF 62a_200000035995_100015361967 [0,2,0,0,0,0|1,0,1]=4 386 B6R0.1 C#CCC(C)OC 34a_100000685586_200000210301 [0,2,0,0,0,0|1,0,1]=4 387 B6R0.1 C#CCC(C)OC 7a_100000685586_200000210301 [0,2,0,0,0,0|1,0,1]=4 388 B6R0.1 C#CCC(C)O[13CH3] 34a_100000685586_200025704644 [0,2,0,0,0,0|1,0,1]=4 389 B6R0.1 C#CCC(C)O[13CH3] 7a_100000685586_200025704644 [0,2,0,0,0,0|1,0,1]=4 390 B6R0.1 C#C[C@@H](C)OCC 34a_100009815206_100000210202 [0,2,0,0,0,0|1,0,1]=4 391 B6R0.1 C#C[C@@H](C)OCC 7a_100009815206_100000210202 [0,2,0,0,0,0|1,0,1]=4 392 B6R0.1 C#C[C@@H](C)OCF 34a_100009815206_100015361967 [0,2,0,0,0,0|1,0,1]=4 393 B6R0.1 C#C[C@@H](C)OCF 7a_100009815206_100015361967 [0,2,0,0,0,0|1,0,1]=4 394 B6R0.1 C/C=C/C(C)OC 34a_200102604097_200000210301 [0,2,0,0,0,0|1,0,0]=3 395 B6R0.1 C/C=C/C(C)O[13CH3] 34a_200102604097_200025704644 [0,2,0,0,0,0|1,0,0]=3 396 B6R0.1 C=CC(C)COC 34a_100011215527_200000210301 [0,2,0,0,0,0|1,0,0]=3 397 B6R0.1 C=CC(C)COC 7a_100011215527_200000210301 [0,2,0,0,0,0|1,0,0]=3 398 B6R0.1 C=CC(C)CO[13CH3] 34a_100011215527_200025704644 [0,2,0,0,0,0|1,0,0]=3 399 B6R0.1 C=CC(C)CO[13CH3] 7a_100011215527_200025704644 [0,2,0,0,0,0|1,0,0]=3 400 B6R0.1 C=CC(C)OCC 34a_100000695699_100000210202 [0,2,0,0,0,0|1,0,0]=3 401 B6R0.1 C=CC(C)OCF 34a_100000695699_100015361967 [0,2,0,0,0,0|1,0,0]=3 402 B6R0.1 C=CC(C)SCC 62a_100011215867_100000210202 [0,2,0,0,0,0|1,0,0]=3 403 B6R0.1 C=CC(C)SCF 62a_100011215867_100015361967 [0,2,0,0,0,0|1,0,0]=3 404 B6R0.1 C=CC(O)CNC 2230a_106832991635_100000730141 [0,2,0,0,0,0|2,0,0]=4 405 B6R0.1 C=CC(O)CNC 34a_100102657272_100000730141 [0,2,0,0,0,0|2,0,0]=4 406 B6R0.1 C=CC(O)CNC 7a_106832991635_100000730141 [0,2,0,0,0,0|2,0,0]=4 407 B6R0.1 C=CC(O)COC 34a_100138415774_100000730141 [0,2,0,0,0,0|2,0,0]=4 408 B6R0.1 C=CC(O)CSC 62a_100000730141_200000210301 [0,2,0,0,0,0|2,0,0]=4 409 B6R0.1 C=CC(O)CSC 62a_200000210301_100000730141 [0,2,0,0,0,0|2,0,0]=4 410 B6R0.1 C=CC(O)CS[13CH3] 62a_100000730141_200025704644 [0,2,0,0,0,0|2,0,0]=4 411 B6R0.1 C=CC(O)CS[13CH3] 62a_200025704644_100000730141 [0,2,0,0,0,0|2,0,0]=4 412 B6R0.1 C=CCN(C)CC 2230a_100000225617_100000210202 [0,2,0,0,0,0|2,0,0]=4 413 B6R0.1 C=CCN(C)CC 2230a_100000225621_100000210623 [0,2,0,0,0,0|2,0,0]=4 414 B6R0.1 C=CCN(C)CC 269982a_100000225617_100000204670 [0,2,0,0,0,0|2,0,0]=4 415 B6R0.1 C=CCN(C)CC 269982a_100000225621_100000210623 [0,2,0,0,0,0|2,0,0]=4 416 B6R0.1 C=CCN(C)CF 269982a_100000225617_100015361967 [0,2,0,0,0,0|2,0,0]=4 417 B6R0.1 C=CC[C@@H](C)OC 34a_100000731007_200000210301 [0,2,0,0,0,0|1,0,0]=3 418 B6R0.1 C=CC[C@@H](C)OC 7a_100000731007_200000210301 [0,2,0,0,0,0|1,0,0]=3 419 B6R0.1 C=CC[C@@H](C)O[13CH3] 34a_100000731007_200025704644 [0,2,0,0,0,0|1,0,0]=3 420 B6R0.1 C=CC[C@@H](C)O[13CH3] 7a_100000731007_200025704644 [0,2,0,0,0,0|1,0,0]=3 421 B6R0.1 C=C[C@H](N)COC 34a_100016989147_200000210301 [0,2,0,0,0,0|2,0,0]=4 422 B6R0.1 C=C[C@H](N)CO[13CH3] 34a_100016989147_200025704644 [0,2,0,0,0,0|2,0,0]=4 423 B6R0.1 CC#CC(C)OC 34a_100011216543_200000210301 [0,2,0,0,0,0|1,0,1]=4 424 B6R0.1 CC#CC(C)O[13CH3] 34a_100011216543_200025704644 [0,2,0,0,0,0|1,0,1]=4 425 B6R0.1 CC(C#N)OCF 34a_100011218135_100015361967 [0,2,0,0,0,0|1,0,1]=4 426 B6R0.1 CC(C#N)SCF 62a_100000703298_100015361967 [0,2,0,0,0,0|1,0,1]=4 427 B6R0.1 CC(C#N)SCF 62a_100015361967_100000703298 [0,2,0,0,0,0|1,0,1]=4 428 B6R0.1 CC(CC#N)S[13CH3] 62a_100009813641_200025704644 [0,2,0,0,0,0|1,0,1]=4 429 B6R0.1 CC(CC#N)S[13CH3] 62a_200025704644_100009813641 [0,2,0,0,0,0|1,0,1]=4 430 B6R0.1 CC(CCBr)O[13CH3] 34a_100012276601_200025704644 [0,2,0,0,0,0|1,0,1]=4 431 B6R0.1 CC(CCO)S[13CH3] 62a_100009893172_200025704644 [0,2,0,0,0,0|0,0,2]=4 432 B6R0.1 CC(CCO)S[13CH3] 62a_200025704644_100009893172 [0,2,0,0,0,0|0,0,2]=4 433 B6R0.1 CC(CF)OCF 34a_100016041109_100015361967 [0,2,0,0,0,0|1,0,1]=4 434 B6R0.1 CC(CF)OCF 7a_100016041109_100015361967 [0,2,0,0,0,0|1,0,1]=4 435 B6R0.1 CC(CN)CO[13CH3] 34a_100000744482_200025704644 [0,2,0,0,0,0|0,0,2]=4 436 B6R0.1 CC(CN)OCF 34a_100000210904_100015361967 [0,2,0,0,0,0|1,0,1]=4 437 B6R0.1 CC(CO)CN[13CH3] 34a_100000744482_200025704644 [0,2,0,0,0,0|0,0,2]=4 438 B6R0.1 CC(CO)SCF 62a_100012180447_100015361967 [0,2,0,0,0,0|0,0,2]=4 439 B6R0.1 CCC(C)CNC 2230a_100020588543_200000210301 [0,2,0,0,0,0|1,0,1]=4 440 B6R0.1 CCC(C)CNC 2230a_106832991635_100000748023 [0,2,0,0,0,0|1,0,1]=4 441 B6R0.1 CCC(C)CNC 270004a_106832991635_100000243153 [0,2,0,0,0,0|1,0,1]=4 442 B6R0.1 CCC(C)CNC 34a_100102657272_100000748023 [0,2,0,0,0,0|1,0,1]=4 443 B6R0.1 CCC(C)CNC 7a_106832991635_100000748023 [0,2,0,0,0,0|1,0,1]=4 444 B6R0.1 CCC(C)CN[13CH3] 2230a_100020588543_200025704644 [0,2,0,0,0,0|1,0,1]=4 445 B6R0.1 CCC(C)COC 34a_100138415774_100000748023 [0,2,0,0,0,0|0,0,2]=4 446 B6R0.1 CCC(C)CSC 62a_100000748023_200000210301 [0,2,0,0,0,0|0,1,1]=4 447 B6R0.1 CCC(C)CSC 62a_200000210301_100000748023 [0,2,0,0,0,0|0,1,1]=4 448 B6R0.1 CCC(C)CS[13CH3] 62a_100000748023_200025704644 [0,2,0,0,0,0|0,1,1]=4 449 B6R0.1 CCC(C)CS[13CH3] 62a_200025704644_100000748023 [0,2,0,0,0,0|0,1,1]=4 450 B6R0.1 CCC(C)OCF 7a_100000210228_100015361967 [0,2,0,0,0,0|1,0,1]=4 451 B6R0.1 CCC(C)SCF 62a_100000758301_100015361967 [0,2,0,0,0,0|1,0,1]=4 452 B6R0.1 CCC(C)SCF 62a_100015361967_100000758301 [0,2,0,0,0,0|1,0,1]=4 453 B6R0.1 CCCC(C)NC 2230a_100000741246_200000210301 [0,2,0,0,0,0|1,0,1]=4 454 B6R0.1 CCCC(C)NC 2230a_106832991635_100000766640 [0,2,0,0,0,0|1,0,1]=4 455 B6R0.1 CCCC(C)NC 270004a_106832991635_100000211909 [0,2,0,0,0,0|1,0,1]=4 456 B6R0.1 CCCC(C)NC 34a_100102657272_100000766640 [0,2,0,0,0,0|1,0,1]=4 457 B6R0.1 CCCC(C)NC 7a_106832991635_100000766640 [0,2,0,0,0,0|1,0,1]=4 458 B6R0.1 CCCC(C)N[13CH3] 2230a_100000741246_200025704644 [0,2,0,0,0,0|1,0,1]=4 459 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [0,2,0,0,0,0|1,0,1]=4 460 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [0,2,0,0,0,0|1,0,1]=4 461 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [0,2,0,0,0,0|1,0,1]=4 462 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [0,2,0,0,0,0|1,0,1]=4 463 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [0,2,0,0,0,0|1,0,1]=4 464 B6R0.1 CCCC(C)SC 62a_100000766640_200000210301 [0,2,0,0,0,0|1,0,1]=4 465 B6R0.1 CCCC(C)SC 62a_200000210301_100000766640 [0,2,0,0,0,0|1,0,1]=4 466 B6R0.1 CCCC(C)S[13CH3] 62a_100000766640_200025704644 [0,2,0,0,0,0|1,0,1]=4 467 B6R0.1 CCCC(C)S[13CH3] 62a_200025704644_100000766640 [0,2,0,0,0,0|1,0,1]=4 468 B6R0.1 CCN(C)CC=O 2230a_100000225621_200015260668 [0,2,0,0,0,0|1,0,0]=3 469 B6R0.1 CCN(C)CC=O 269982a_100000225621_200015260668 [0,2,0,0,0,0|1,0,0]=3 470 B6R0.1 CCNC(C)C#N 2230a_100000737613_100000210202 [0,2,0,0,0,0|1,0,1]=4 471 B6R0.1 CCNC(C)C#N 2230a_100015525214_100000184139 [0,2,0,0,0,0|1,0,1]=4 472 B6R0.1 CCNC(C)CC 2230a_100000209981_100000210202 [0,2,0,0,0,0|1,0,1]=4 473 B6R0.1 CCNC(C)CC 2230a_100015525214_100000758301 [0,2,0,0,0,0|1,0,1]=4 474 B6R0.1 CCNC(C)CO 2230a_100015525214_100012180447 [0,2,0,0,0,0|0,0,2]=4 475 B6R0.1 CCN[C@H](C)CO 2230a_100000737577_100000210202 [0,2,0,0,0,0|0,0,2]=4 476 B6R0.1 CCOC(C)C#N 34a_100011218135_100000210202 [0,2,0,0,0,0|1,0,1]=4 477 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [0,2,0,0,0,0|1,0,1]=4 478 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [0,2,0,0,0,0|1,0,1]=4 479 B6R0.1 CCOC(C)CF 34a_100016041109_100000210202 [0,2,0,0,0,0|1,0,1]=4 480 B6R0.1 CCOC(C)CF 7a_100016041109_100000210202 [0,2,0,0,0,0|1,0,1]=4 481 B6R0.1 CCOC(C)CN 34a_100000210904_100000210202 [0,2,0,0,0,0|1,0,1]=4 482 B6R0.1 CCOC(C)CO 34a_100121572206_100012180447 [0,2,0,0,0,0|0,0,2]=4 483 B6R0.1 CCSC(C)C#N 62a_100000210202_100000703298 [0,2,0,0,0,0|1,0,1]=4 484 B6R0.1 CCSC(C)C#N 62a_100000703298_100000210202 [0,2,0,0,0,0|1,0,1]=4 485 B6R0.1 CCSC(C)CC 62a_100000210202_100000758301 [0,2,0,0,0,0|1,0,1]=4 486 B6R0.1 CCSC(C)CC 62a_100000758301_100000210202 [0,2,0,0,0,0|1,0,1]=4 487 B6R0.1 CCSC(C)CO 62a_100012180447_100000210202 [0,2,0,0,0,0|0,0,2]=4 488 B6R0.1 CCSC(C)OC 62a_100000210202_100009879195 [0,2,0,0,0,0|1,0,1]=4 489 B6R0.1 CCSC(C)OC 62a_100009879195_100000210202 [0,2,0,0,0,0|1,0,1]=4 490 B6R0.1 CCS[C@H](C)CO 62a_100000210202_100016084084 [0,2,0,0,0,0|0,0,2]=4 491 B6R0.1 CCS[C@H](C)CO 62a_100016084084_100000210202 [0,2,0,0,0,0|0,0,2]=4 492 B6R0.1 CC[C@H](C)CNC 2230a_106832991635_100009816398 [0,2,0,0,0,0|1,0,1]=4 493 B6R0.1 CC[C@H](C)CNC 34a_100102657272_100009816398 [0,2,0,0,0,0|1,0,1]=4 494 B6R0.1 CC[C@H](C)CNC 7a_106832991635_100009816398 [0,2,0,0,0,0|1,0,1]=4 495 B6R0.1 CC[C@H](C)COC 34a_100138415774_100009816398 [0,2,0,0,0,0|0,0,2]=4 496 B6R0.1 CC[C@H](C)COC 7a_100009816381_200000210301 [0,2,0,0,0,0|0,0,2]=4 497 B6R0.1 CC[C@H](C)CO[13CH3] 7a_100009816381_200025704644 [0,2,0,0,0,0|0,0,2]=4 498 B6R0.1 CC[C@H](C)CSC 62a_100009816398_200000210301 [0,2,0,0,0,0|0,1,1]=4 499 B6R0.1 CC[C@H](C)CSC 62a_200000210301_100009816398 [0,2,0,0,0,0|0,1,1]=4 500 B6R0.1 CC[C@H](C)CS[13CH3] 62a_100009816398_200025704644 [0,2,0,0,0,0|0,1,1]=4 501 B6R0.1 CC[C@H](C)CS[13CH3] 62a_200025704644_100009816398 [0,2,0,0,0,0|0,1,1]=4 502 B6R0.1 CNC(C)CC#N 2230a_106832991635_100009813641 [0,2,0,0,0,0|1,0,1]=4 503 B6R0.1 CNC(C)CC#N 7a_106832991635_100009813641 [0,2,0,0,0,0|1,0,1]=4 504 B6R0.1 CNC(C)CCO 2230a_106832991635_100009893172 [0,2,0,0,0,0|0,0,2]=4 505 B6R0.1 CNC(C)CCO 34a_100102657272_100009893172 [0,2,0,0,0,0|0,0,2]=4 506 B6R0.1 CNC(C)CCO 7a_106832991635_100009893172 [0,2,0,0,0,0|0,0,2]=4 507 B6R0.1 CNC(C)COC 2230a_106832991635_100000765312 [0,2,0,0,0,0|0,0,2]=4 508 B6R0.1 CNC(C)COC 270004a_106832991635_100000749346 [0,2,0,0,0,0|0,0,2]=4 509 B6R0.1 CNC(C)COC 34a_100102657272_100000765312 [0,2,0,0,0,0|0,0,2]=4 510 B6R0.1 CNC(C)COC 7a_106832991635_100000765312 [0,2,0,0,0,0|0,0,2]=4 511 B6R0.1 CNC(C)CSC 270004a_106832991635_100011216314 [0,2,0,0,0,0|0,1,1]=4 512 B6R0.1 CNCC(C)CO 34a_100000744482_200000210301 [0,2,0,0,0,0|0,0,2]=4 513 B6R0.1 CNC[C@@H](C)CO 2230a_106832991635_100000059175 [0,2,0,0,0,0|0,0,2]=4 514 B6R0.1 CNC[C@@H](C)CO 34a_100102657272_100000059175 [0,2,0,0,0,0|0,0,2]=4 515 B6R0.1 CNC[C@@H](C)CO 7a_106832991635_100000059175 [0,2,0,0,0,0|0,0,2]=4 516 B6R0.1 CNC[C@@H](C)OC 2230a_100020591295_200000210301 [0,2,0,0,0,0|1,0,1]=4 517 B6R0.1 CN[C@@H](C)CC#N 2230a_100016994482_200000210301 [0,2,0,0,0,0|1,0,1]=4 518 B6R0.1 CN[C@H](C)CCO 2230a_100000706166_200000210301 [0,2,0,0,0,0|0,0,2]=4 519 B6R0.1 CN[C@H](C)CCO 34a_100000706166_200000210301 [0,2,0,0,0,0|0,0,2]=4 520 B6R0.1 CN[C@H](C)COC 2230a_100000764878_200000210301 [0,2,0,0,0,0|0,0,2]=4 521 B6R0.1 COC(C)CCBr 34a_100012276601_200000210301 [0,2,0,0,0,0|1,0,1]=4 522 B6R0.1 COC(C)CCO 34a_100138415774_100009893172 [0,2,0,0,0,0|0,0,2]=4 523 B6R0.1 COC(C)CO[13CH3] 34a_100000690652_200025704644 [0,2,0,0,0,0|0,0,2]=4 524 B6R0.1 COC(C)SCF 62a_100009879195_100015361967 [0,2,0,0,0,0|1,0,1]=4 525 B6R0.1 COC(C)SCF 62a_100015361967_100009879195 [0,2,0,0,0,0|1,0,1]=4 526 B6R0.1 COCC(C)CN 34a_100000744482_200000210301 [0,2,0,0,0,0|0,0,2]=4 527 B6R0.1 COCC(C)OC 34a_100000690652_200000210301 [0,2,0,0,0,0|0,0,2]=4 528 B6R0.1 COCC(C)OC 34a_100138415774_100000765312 [0,2,0,0,0,0|0,0,2]=4 529 B6R0.1 COCC(C)SC 62a_100000765312_200000210301 [0,2,0,0,0,0|0,0,2]=4 530 B6R0.1 COCC(C)SC 62a_200000210301_100000765312 [0,2,0,0,0,0|0,0,2]=4 531 B6R0.1 COCC(C)S[13CH3] 62a_100000765312_200025704644 [0,2,0,0,0,0|0,0,2]=4 532 B6R0.1 COCC(C)S[13CH3] 62a_200025704644_100000765312 [0,2,0,0,0,0|0,0,2]=4 533 B6R0.1 COC[C@@H](C)CO 34a_100138415774_100000059175 [0,2,0,0,0,0|0,0,2]=4 534 B6R0.1 COC[C@@H](C)N[13CH3] 2230a_100000764878_200025704644 [0,2,0,0,0,0|0,0,2]=4 535 B6R0.1 COC[C@@H](C)OC 34a_100011934205_200000210301 [0,2,0,0,0,0|0,0,2]=4 536 B6R0.1 COC[C@@H](C)O[13CH3] 34a_100011934205_200025704644 [0,2,0,0,0,0|0,0,2]=4 537 B6R0.1 CO[C@H](C)CN[13CH3] 2230a_100020591295_200025704644 [0,2,0,0,0,0|1,0,1]=4 538 B6R0.1 CSC(C)CC#N 62a_100009813641_200000210301 [0,2,0,0,0,0|1,0,1]=4 539 B6R0.1 CSC(C)CC#N 62a_200000210301_100009813641 [0,2,0,0,0,0|1,0,1]=4 540 B6R0.1 CSC(C)CCO 62a_100009893172_200000210301 [0,2,0,0,0,0|0,0,2]=4 541 B6R0.1 CSC(C)CCO 62a_200000210301_100009893172 [0,2,0,0,0,0|0,0,2]=4 542 B6R0.1 CSC[C@@H](C)CO 62a_100000059175_200000210301 [0,2,0,0,0,0|0,0,2]=4 543 B6R0.1 CSC[C@@H](C)CO 62a_200000210301_100000059175 [0,2,0,0,0,0|0,0,2]=4 544 B6R0.1 C[C@@H](CC#N)N[13CH3] 2230a_100016994482_200025704644 [0,2,0,0,0,0|1,0,1]=4 545 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_100000059175_200025704644 [0,2,0,0,0,0|0,0,2]=4 546 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_200025704644_100000059175 [0,2,0,0,0,0|0,0,2]=4 547 B6R0.1 C[C@H](CCO)N[13CH3] 2230a_100000706166_200025704644 [0,2,0,0,0,0|0,0,2]=4 548 B6R0.1 C[C@H](CCO)N[13CH3] 34a_100000706166_200025704644 [0,2,0,0,0,0|0,0,2]=4 549 B6R0.1 C[C@H](CO)SCF 62a_100015361967_100016084084 [0,2,0,0,0,0|0,0,2]=4 550 B6R0.1 C[C@H](CO)SCF 62a_100016084084_100015361967 [0,2,0,0,0,0|0,0,2]=4 551 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [0,2,0,0,0,0|0,0,2]=4 552 B6R0.2 C=C(C)CN(C)C 2230a_100000225649_200000210301 [0,2,0,0,0,0|2,0,0]=4 553 B6R0.2 C=C(C)CN(C)C 2230a_100102631434_100000748629 [0,2,0,0,0,0|2,0,0]=4 554 B6R0.2 C=C(C)CN(C)C 269982a_100000225649_200000210301 [0,2,0,0,0,0|2,0,0]=4 555 B6R0.2 C=C(C)CN(C)C 269982a_100102631434_100000748629 [0,2,0,0,0,0|2,0,0]=4 556 B6R0.2 C=C(C)CN(C)[13CH3] 2230a_100000225649_200025704644 [0,2,0,0,0,0|2,0,0]=4 557 B6R0.2 C=C(C)CN(C)[13CH3] 269982a_100000225649_200025704644 [0,2,0,0,0,0|2,0,0]=4 558 B6R0.2 C=C(F)CN(C)C 2230a_100102631434_100009893438 [0,2,0,0,0,0|2,0,0]=4 559 B6R0.2 C=C(F)CN(C)C 269982a_100102631434_100009893438 [0,2,0,0,0,0|2,0,0]=4 560 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [0,2,0,0,0,0|0,0,1]=3 561 B6R0.2 CC(=CC(=O)[13CH3])Cl 1458a_200042562850_200025704644 [0,2,0,0,0,0|1,0,1]=4 562 B6R0.2 CC(=CC(=O)[13CH3])I 1458a_100025716642_200025704644 [0,2,0,0,0,0|1,0,1]=4 563 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [0,2,0,0,0,0|0,0,1]=3 564 B6R0.2 CC(=O)C=C(C)Cl 1458a_200042562850_200000210301 [0,2,0,0,0,0|1,0,1]=4 565 B6R0.2 CC(=O)C=C(C)I 1458a_100025716642_200000210301 [0,2,0,0,0,0|1,0,1]=4 566 B6R0.2 CC(=O)CC(=O)N 1458a_100000070787_100000187820 [0,2,0,0,0,0|1,0,1]=4 567 B6R0.2 CC(=O)CC(=O)N 1458a_100134613110_200000210301 [0,2,0,0,0,0|1,0,1]=4 568 B6R0.2 CC(=O)CC(=O)[O-] 1458a_100000070787_100020667443 [0,2,0,0,0,0|1,0,1]=4 569 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [0,2,0,0,0,0|0,0,0]=2 570 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [0,2,0,0,0,0|0,0,0]=2 571 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [0,2,0,0,0,0|1,0,0]=3 572 B6R0.2 CC(=O)CC(F)F 1458a_100000070787_100011934356 [0,2,0,0,0,0|2,0,0]=4 573 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [0,2,0,0,0,0|1,0,0]=3 574 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [0,2,0,0,0,0|1,0,0]=3 575 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [0,2,0,0,0,0|1,0,0]=3 576 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [0,2,0,0,0,0|0,0,0]=2 577 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [0,2,0,0,0,0|0,0,0]=2 578 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [0,2,0,0,0,0|0,0,0]=2 579 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [0,2,0,0,0,0|0,0,0]=2 580 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [0,2,0,0,0,0|0,0,0]=2 581 B6R0.2 CC(C)CN(C)C 2230a_100000747067_200000210301 [0,2,0,0,0,0|1,0,1]=4 582 B6R0.2 CC(C)CN(C)C 2230a_100102631434_100000210760 [0,2,0,0,0,0|1,0,1]=4 583 B6R0.2 CC(C)CN(C)C 269982a_100000747067_200000210301 [0,2,0,0,0,0|1,0,1]=4 584 B6R0.2 CC(C)CN(C)C 269982a_100102631434_100000210624 [0,2,0,0,0,0|1,0,1]=4 585 B6R0.2 CC(C)CN(C)C 270004a_100102631434_100000210432 [0,2,0,0,0,0|1,0,1]=4 586 B6R0.2 CC(C)CN(C)[13CH3] 2230a_100000747067_200025704644 [0,2,0,0,0,0|1,0,1]=4 587 B6R0.2 CC(C)CN(C)[13CH3] 269982a_100000747067_200025704644 [0,2,0,0,0,0|1,0,1]=4 588 B6R0.2 CC(C)NC(C)C 2230a_100138425928_100000210206 [0,2,0,0,0,0|1,0,1]=4 589 B6R0.2 CC(C)NC(C)C 34a_100138425928_100000210206 [0,2,0,0,0,0|1,0,1]=4 590 B6R0.2 CC(C)OC(C)C 34a_100000212225_100000210206 [0,2,0,0,0,0|1,0,1]=4 591 B6R0.2 CC(C)SC(C)C 62a_100000210206_100000210206 [0,2,0,0,0,0|1,0,1]=4 592 B6R0.2 CN(C)CC(=O)N 2230a_100000739694_200000210301 [0,2,0,0,0,0|1,0,0]=3 593 B6R0.2 CN(C)CC(=O)N 2230a_100102631434_100000747473 [0,2,0,0,0,0|1,0,0]=3 594 B6R0.2 CN(C)CC(=O)N 269982a_100102631434_100000187820 [0,2,0,0,0,0|1,0,0]=3 595 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [0,2,0,0,0,0|1,0,0]=3 596 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [0,2,0,0,0,0|1,0,0]=3 597 B6R0.2 CN(C)CC(=O)[O-] 269982a_100102631434_100020667443 [0,2,0,0,0,0|1,0,0]=3 598 B6R0.2 CN(C)C[N+](=O)[O-] 269982a_100102631434_100000761209 [0,2,0,0,0,0|1,0,1]=4 599 B6R0.2 CN([13CH3])CC(=O)N 2230a_100000739694_200025704644 [0,2,0,0,0,0|1,0,0]=3 600 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [0,2,0,0,0,0|1,0,0]=3 601 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [0,2,0,0,0,0|1,0,0]=3 602 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [0,2,0,0,0,0|1,0,0]=3 603 B6R0.2 [13CH3]C(=O)CC(=O)N 1458a_100134613110_200025704644 [0,2,0,0,0,0|1,0,1]=4 604 B6R0.3 C#CC(=O)C(C)C 1458a_100000211873_100000210206 [0,2,0,0,0,0|0,0,0]=2 605 B6R0.3 C#CC(C)C(=O)C 1458a_100000070787_200000035995 [0,2,0,0,0,0|0,0,1]=3 606 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [0,2,0,0,0,0|0,0,1]=3 607 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [0,2,0,0,0,0|0,0,1]=3 608 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [0,2,0,0,0,0|0,0,2]=4 609 B6R0.3 C=C(C)C(=O)CF 1458a_100000185857_100015361967 [0,2,0,0,0,0|0,0,2]=4 610 B6R0.3 C=C(C)C(=O)NC 11a_106832991635_100000185857 [0,2,0,0,0,0|0,0,2]=4 611 B6R0.3 C=C(C)C(=O)NC 1626a_100102657272_100000185857 [0,2,0,0,0,0|0,0,2]=4 612 B6R0.3 C=C(C)C(C)NC 269862a_106832991636_100011216138 [0,2,0,0,0,0|1,0,0]=3 613 B6R0.3 C=CC(=O)C(C)C 1458a_100000185746_100000210206 [0,2,0,0,0,0|0,0,0]=2 614 B6R0.3 C=CC(=O)N(C)C 1626a_100102631434_100000185746 [0,2,0,0,0,0|1,0,0]=3 615 B6R0.3 C=CC(=O)N(C)C 240690a_100102631434_200121576911 [0,2,0,0,0,0|1,0,0]=3 616 B6R0.3 C=CC(C)C(=O)C 1458a_100011216780_200000210301 [0,2,0,0,0,0|0,0,1]=3 617 B6R0.3 C=CC(C)C(=O)[13CH3] 1458a_100011216780_200025704644 [0,2,0,0,0,0|0,0,1]=3 618 B6R0.3 C=CC(C)N(C)C 269982a_100102631434_100011215867 [0,2,0,0,0,0|1,0,0]=3 619 B6R0.3 CC(=O)C(C)C#N 1458a_100000070787_100000703298 [0,2,0,0,0,0|0,0,1]=3 620 B6R0.3 CC(=O)C(C)C#N 1458a_100000753662_200000210301 [0,2,0,0,0,0|0,0,1]=3 621 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [0,2,0,0,0,0|0,0,0]=2 622 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [0,2,0,0,0,0|0,0,0]=2 623 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [0,2,0,0,0,0|0,0,0]=2 624 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [0,2,0,0,0,0|1,0,0]=3 625 B6R0.3 CC(C#N)C(=O)[13CH3] 1458a_100000753662_200025704644 [0,2,0,0,0,0|0,0,1]=3 626 B6R0.3 CC(C#N)N(C)C 2230a_100102631434_100000184139 [0,2,0,0,0,0|1,0,1]=4 627 B6R0.3 CC(C#N)N(C)C 269982a_100102631434_100000703298 [0,2,0,0,0,0|1,0,1]=4 628 B6R0.3 CC(C)C(=O)CF 1458a_100000210198_100015361967 [0,2,0,0,0,0|0,0,0]=2 629 B6R0.3 CC(C)C(=O)CO 1458a_100000210174_100000210206 [0,2,0,0,0,0|0,0,0]=2 630 B6R0.3 CC(C)C(C)N[13CH3] 2230a_100000211541_200025704644 [0,2,0,0,0,0|1,0,1]=4 631 B6R0.3 CC(C)C(C)O[13CH3] 7a_100000748068_200025704644 [0,2,0,0,0,0|0,0,2]=4 632 B6R0.3 CC(C)N(C)CF 269982a_200000211004_100015361967 [0,2,0,0,0,0|1,0,1]=4 633 B6R0.3 CC(CO)N(C)C 2230a_100000693034_200000210301 [0,2,0,0,0,0|0,0,2]=4 634 B6R0.3 CC(CO)N(C)C 2230a_100102631434_100012180447 [0,2,0,0,0,0|0,0,2]=4 635 B6R0.3 CC(CO)N(C)C 269982a_100000693034_200000210301 [0,2,0,0,0,0|0,0,2]=4 636 B6R0.3 CC(CO)N(C)[13CH3] 2230a_100000693034_200025704644 [0,2,0,0,0,0|0,0,2]=4 637 B6R0.3 CC(CO)N(C)[13CH3] 269982a_100000693034_200025704644 [0,2,0,0,0,0|0,0,2]=4 638 B6R0.3 CC(F)C(=O)CF 1458a_100000062450_100015361967 [0,2,0,0,0,0|1,0,0]=3 639 B6R0.3 CC(S[13CH3])C(=O)N 62a_100000702099_200025704644 [0,2,0,0,0,0|0,0,0]=2 640 B6R0.3 CC(S[13CH3])C(=O)N 62a_200025704644_100000702099 [0,2,0,0,0,0|0,0,0]=2 641 B6R0.3 CCC(=O)C(C)C 1458a_100000210198_100000210202 [0,2,0,0,0,0|0,0,0]=2 642 B6R0.3 CCC(=O)C(C)C 1458a_100000210414_100000210206 [0,2,0,0,0,0|0,0,0]=2 643 B6R0.3 CCC(=O)C(C)F 1458a_100000062450_100000210202 [0,2,0,0,0,0|1,0,0]=3 644 B6R0.3 CCC(=O)C(O)O 1458a_100000233687_100000210202 [0,2,0,0,0,0|2,0,0]=4 645 B6R0.3 CCC(=O)N(C)C 11a_100102631434_100000210414 [0,2,0,0,0,0|1,0,0]=3 646 B6R0.3 CCC(=O)N(C)C 1626a_100102631434_100000210414 [0,2,0,0,0,0|1,0,0]=3 647 B6R0.3 CCC(=O)N(C)C 240690a_100102631434_100000210414 [0,2,0,0,0,0|1,0,0]=3 648 B6R0.3 CCC(=O)N(C)C 527a_100102631434_100000210414 [0,2,0,0,0,0|1,0,0]=3 649 B6R0.3 CCC(=O)[C@@H](C)O 1458a_100000717761_100000210202 [0,2,0,0,0,0|1,0,0]=3 650 B6R0.3 CCC(=O)[C@H](C)O 1458a_217856618621_100000210202 [0,2,0,0,0,0|1,0,0]=3 651 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [0,2,0,0,0,0|0,0,0]=2 652 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [0,2,0,0,0,0|0,0,0]=2 653 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [0,2,0,0,0,0|0,0,0]=2 654 B6R0.3 CCC(C)N(C)C 2230a_100000741768_200000210301 [0,2,0,0,0,0|1,0,1]=4 655 B6R0.3 CCC(C)N(C)C 2230a_100102631434_100000758301 [0,2,0,0,0,0|1,0,1]=4 656 B6R0.3 CCC(C)N(C)C 269982a_100000741768_200000210301 [0,2,0,0,0,0|1,0,1]=4 657 B6R0.3 CCC(C)N(C)C 269982a_100102631434_100000758301 [0,2,0,0,0,0|1,0,1]=4 658 B6R0.3 CCC(C)N(C)[13CH3] 2230a_100000741768_200025704644 [0,2,0,0,0,0|1,0,1]=4 659 B6R0.3 CCC(C)N(C)[13CH3] 269982a_100000741768_200025704644 [0,2,0,0,0,0|1,0,1]=4 660 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [0,2,0,0,0,0|1,0,0]=3 661 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [0,2,0,0,0,0|1,0,0]=3 662 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [0,2,0,0,0,0|1,0,0]=3 663 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [0,2,0,0,0,0|1,0,0]=3 664 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [0,2,0,0,0,0|1,0,0]=3 665 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [0,2,0,0,0,0|1,0,0]=3 666 B6R0.3 CCN(C)C(C)C 2230a_100000223864_200000210301 [0,2,0,0,0,0|1,0,1]=4 667 B6R0.3 CCN(C)C(C)C 2230a_100000225621_100000210206 [0,2,0,0,0,0|1,0,1]=4 668 B6R0.3 CCN(C)C(C)C 269982a_100000223864_200000210301 [0,2,0,0,0,0|1,0,1]=4 669 B6R0.3 CCN(C)C(C)C 269982a_100000225621_100000210206 [0,2,0,0,0,0|1,0,1]=4 670 B6R0.3 CCN(C)C(C)C 269982a_200000211004_100000204670 [0,2,0,0,0,0|1,0,1]=4 671 B6R0.3 CCN([13CH3])C(C)C 2230a_100000223864_200025704644 [0,2,0,0,0,0|1,0,1]=4 672 B6R0.3 CCN([13CH3])C(C)C 269982a_100000223864_200025704644 [0,2,0,0,0,0|1,0,1]=4 673 B6R0.3 CN(C)C(=O)CO 240690a_100102631434_100000210174 [0,2,0,0,0,0|1,0,0]=3 674 B6R0.3 CN(C)C(=O)CO 527a_100102631434_100000210174 [0,2,0,0,0,0|1,0,0]=3 675 B6R0.3 CNC(=O)C(=O)C 1458a_100011218921_200000210301 [0,2,0,0,0,0|1,0,1]=4 676 B6R0.3 CNC(=O)C(=O)N 240690a_100102657272_100011215815 [0,2,0,0,0,0|1,0,1]=4 677 B6R0.3 CNC(=O)C(=O)[13CH3] 1458a_100011218921_200025704644 [0,2,0,0,0,0|1,0,1]=4 678 B6R0.3 CNC(=O)C(C)C 11a_106832991635_100000210198 [0,2,0,0,0,0|0,0,0]=2 679 B6R0.3 CNC(=O)C(C)C 1626a_100102657272_100000210198 [0,2,0,0,0,0|0,0,0]=2 680 B6R0.3 CNC(=O)C(C)C 240690a_100102657272_100000210198 [0,2,0,0,0,0|0,0,0]=2 681 B6R0.3 CNC(=O)C(C)C 527a_100102657272_100000210198 [0,2,0,0,0,0|0,0,0]=2 682 B6R0.3 CNC(=O)C(C)F 11a_106832991635_100000062450 [0,2,0,0,0,0|1,0,0]=3 683 B6R0.3 CNC(=O)C(C)F 1626a_100102657272_100000062450 [0,2,0,0,0,0|1,0,0]=3 684 B6R0.3 CNC(=O)C(C)F 240690a_100102657272_100000062450 [0,2,0,0,0,0|1,0,0]=3 685 B6R0.3 CNC(=O)C(C)F 527a_100102657272_100000062450 [0,2,0,0,0,0|1,0,0]=3 686 B6R0.3 CNC(=O)C(F)F 11a_106832991635_100000210393 [0,2,0,0,0,0|2,0,0]=4 687 B6R0.3 CNC(=O)C(F)F 1626a_100102657272_100000210393 [0,2,0,0,0,0|2,0,0]=4 688 B6R0.3 CNC(=O)C(F)F 240690a_100102657272_100000210393 [0,2,0,0,0,0|2,0,0]=4 689 B6R0.3 CNC(=O)C(F)F 527a_100102657272_100000210393 [0,2,0,0,0,0|2,0,0]=4 690 B6R0.3 CNC(=O)C(O)O 240690a_100102657272_100000233687 [0,2,0,0,0,0|2,0,0]=4 691 B6R0.3 CNC(=O)N(C)C 2708a_100102657272_100102631434 [0,2,0,0,0,0|1,0,0]=3 692 B6R0.3 CNC(=O)[C@@H](C)O 240690a_100102657272_100000717761 [0,2,0,0,0,0|1,0,0]=3 693 B6R0.3 CNC(=O)[C@H](C)O 1626a_100102657272_217856618621 [0,2,0,0,0,0|1,0,0]=3 694 B6R0.3 CNC(=O)[C@H](C)O 240690a_100102657272_217856618621 [0,2,0,0,0,0|1,0,0]=3 695 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [0,2,0,0,0,0|0,0,0]=2 696 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [0,2,0,0,0,0|0,0,0]=2 697 B6R0.3 CNC(C)C(=O)N 2230a_106832991635_100000702099 [0,2,0,0,0,0|0,0,0]=2 698 B6R0.3 CNC(C)C(=O)N 34a_100102657272_100000702099 [0,2,0,0,0,0|0,0,0]=2 699 B6R0.3 CNC(C)C(=O)N 7a_106832991635_100000702099 [0,2,0,0,0,0|0,0,0]=2 700 B6R0.3 CNC(C)C(C)C 2230a_100000211541_200000210301 [0,2,0,0,0,0|1,0,1]=4 701 B6R0.3 CNC(F)C(=O)N 2230a_106832991635_100009813875 [0,2,0,0,0,0|1,0,0]=3 702 B6R0.3 CNC(F)C(=O)N 34a_100102657272_100009813875 [0,2,0,0,0,0|1,0,0]=3 703 B6R0.3 CNC(F)C(=O)N 7a_106832991635_100009813875 [0,2,0,0,0,0|1,0,0]=3 704 B6R0.3 CNC(F)C(=O)[O-] 34a_100102657272_100020610796 [0,2,0,0,0,0|1,0,0]=3 705 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [0,2,0,0,0,0|0,0,0]=2 706 B6R0.3 CN[C@H](C)C(=O)N 2230a_100000119354_200000210301 [0,2,0,0,0,0|0,0,0]=2 707 B6R0.3 CN[C@H](C)C(=O)N 34a_100000119354_200000210301 [0,2,0,0,0,0|0,0,0]=2 708 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [0,2,0,0,0,0|0,0,0]=2 709 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [0,2,0,0,0,0|0,0,0]=2 710 B6R0.3 COC(C)C(=O)N 34a_100138415774_100000702099 [0,2,0,0,0,0|0,0,0]=2 711 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [0,2,0,0,0,0|0,0,0]=2 712 B6R0.3 COC(C)C(C)C 7a_100000748068_200000210301 [0,2,0,0,0,0|0,0,2]=4 713 B6R0.3 COC(C)N(C)C 269982a_100102631434_100009879195 [0,2,0,0,0,0|2,0,0]=4 714 B6R0.3 COC(F)C(=O)N 34a_100138415774_100009813875 [0,2,0,0,0,0|1,0,0]=3 715 B6R0.3 COC(F)C(=O)[O-] 34a_100138415774_100020610796 [0,2,0,0,0,0|1,0,0]=3 716 B6R0.3 CO[C@@H](C)C(=O)[O-] 7a_217856618621_200000210301 [0,2,0,0,0,0|0,0,0]=2 717 B6R0.3 CO[C@H](C)C(=O)N 34a_100000731257_200000210301 [0,2,0,0,0,0|0,0,0]=2 718 B6R0.3 CO[C@H](C)C(=O)N 7a_100000731257_200000210301 [0,2,0,0,0,0|0,0,0]=2 719 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [0,2,0,0,0,0|0,0,0]=2 720 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [0,2,0,0,0,0|0,0,0]=2 721 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [0,2,0,0,0,0|0,0,0]=2 722 B6R0.3 CSC(C)C(=O)N 62a_100000702099_200000210301 [0,2,0,0,0,0|0,0,0]=2 723 B6R0.3 CSC(C)C(=O)N 62a_200000210301_100000702099 [0,2,0,0,0,0|0,0,0]=2 724 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [0,2,0,0,0,0|0,0,0]=2 725 B6R0.3 CSC(F)C(=O)N 62a_100009813875_200000210301 [0,2,0,0,0,0|1,0,0]=3 726 B6R0.3 CSC(F)C(=O)N 62a_200000210301_100009813875 [0,2,0,0,0,0|1,0,0]=3 727 B6R0.3 CSC(F)C(=O)[O-] 62a_100020610796_200000210301 [0,2,0,0,0,0|1,0,0]=3 728 B6R0.3 CSC(F)C(=O)[O-] 62a_200000210301_100020610796 [0,2,0,0,0,0|1,0,0]=3 729 B6R0.3 C[C@@H](N[13CH3])C(=O)N 2230a_100000119354_200025704644 [0,2,0,0,0,0|0,0,0]=2 730 B6R0.3 C[C@@H](N[13CH3])C(=O)N 34a_100000119354_200025704644 [0,2,0,0,0,0|0,0,0]=2 731 B6R0.3 C[C@@H](O)C(=O)CF 1458a_100000717761_100015361967 [0,2,0,0,0,0|1,0,0]=3 732 B6R0.3 C[C@@H](O[13CH3])C(=O)N 34a_100000731257_200025704644 [0,2,0,0,0,0|0,0,0]=2 733 B6R0.3 C[C@@H](O[13CH3])C(=O)N 7a_100000731257_200025704644 [0,2,0,0,0,0|0,0,0]=2 734 B6R0.3 C[C@H](CO)N(C)C 269982a_100102631434_100016084084 [0,2,0,0,0,0|0,0,2]=4 735 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [0,2,0,0,0,0|0,0,0]=2 736 B6R0.3 C[C@H](O)C(=O)CF 1458a_217856618621_100015361967 [0,2,0,0,0,0|1,0,0]=3 737 B6R0.3 C[C@H](O[13CH3])C(=O)[O-] 7a_217856618621_200025704644 [0,2,0,0,0,0|0,0,0]=2 738 B6R0.3 O=C(CF)C(O)O 1458a_100000233687_100015361967 [0,2,0,0,0,0|2,0,0]=4 739 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [0,2,0,0,0,0|1,0,0]=3 740 B6R0.3 [13CH3]SC(F)C(=O)N 62a_100009813875_200025704644 [0,2,0,0,0,0|1,0,0]=3 741 B6R0.3 [13CH3]SC(F)C(=O)N 62a_200025704644_100009813875 [0,2,0,0,0,0|1,0,0]=3 742 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_100020610796_200025704644 [0,2,0,0,0,0|1,0,0]=3 743 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_200025704644_100020610796 [0,2,0,0,0,0|1,0,0]=3 744 B6R0.4 C#CCNC(C)C 2230a_100138425928_100000038162 [0,2,0,0,0,0|1,0,1]=4 745 B6R0.4 C#CCNC(C)C 34a_100000212058_100000210206 [0,2,0,0,0,0|1,0,1]=4 746 B6R0.4 C#CCNC(C)C 34a_100138425928_100000184674 [0,2,0,0,0,0|1,0,1]=4 747 B6R0.4 C#CCOC(C)C 34a_100000210247_100000210206 [0,2,0,0,0,0|1,0,1]=4 748 B6R0.4 C#CCOC(C)C 34a_100000212225_100000184674 [0,2,0,0,0,0|1,0,1]=4 749 B6R0.4 C#CCSC(C)C 62a_100000038162_100000210206 [0,2,0,0,0,0|1,0,1]=4 750 B6R0.4 C/C=C/CN(C)C 269982a_100102631434_100102629194 [0,2,0,0,0,0|2,0,0]=4 751 B6R0.4 C=CCCN(C)C 2230a_100020639649_200000210301 [0,2,0,0,0,0|2,0,0]=4 752 B6R0.4 C=CCCN(C)C 2230a_100102631434_100000754431 [0,2,0,0,0,0|2,0,0]=4 753 B6R0.4 C=CCCN(C)C 269982a_100020639649_200000210301 [0,2,0,0,0,0|2,0,0]=4 754 B6R0.4 C=CCCN(C)C 269982a_100102631434_100000754431 [0,2,0,0,0,0|2,0,0]=4 755 B6R0.4 C=CCCN(C)[13CH3] 2230a_100020639649_200025704644 [0,2,0,0,0,0|2,0,0]=4 756 B6R0.4 C=CCCN(C)[13CH3] 269982a_100020639649_200025704644 [0,2,0,0,0,0|2,0,0]=4 757 B6R0.4 C=CCNC(C)C 2230a_100020586998_100000210206 [0,2,0,0,0,0|1,0,0]=3 758 B6R0.4 C=CCNC(C)C 2230a_100138425928_100000210623 [0,2,0,0,0,0|1,0,0]=3 759 B6R0.4 C=CCNC(C)C 34a_100138425928_100015514636 [0,2,0,0,0,0|1,0,0]=3 760 B6R0.4 C=CCOC(C)C 34a_100000212225_100015514636 [0,2,0,0,0,0|1,0,0]=3 761 B6R0.4 C=CCOC(C)C 34a_200000210373_100000210206 [0,2,0,0,0,0|1,0,0]=3 762 B6R0.4 C=CCSC(C)C 62a_100000210206_100000210623 [0,2,0,0,0,0|1,0,0]=3 763 B6R0.4 C=CCSC(C)C 62a_100000210623_100000210206 [0,2,0,0,0,0|1,0,0]=3 764 B6R0.4 CC(=CCN[13CH3])C 34a_100000718196_200025704644 [0,2,0,0,0,0|1,0,1]=4 765 B6R0.4 CC(=CCO[13CH3])C 34a_100000753907_200025704644 [0,2,0,0,0,0|0,0,2]=4 766 B6R0.4 CC(=CCS[13CH3])C 62a_100000761012_200025704644 [0,2,0,0,0,0|0,1,1]=4 767 B6R0.4 CC(=CCS[13CH3])C 62a_200025704644_100000761012 [0,2,0,0,0,0|0,1,1]=4 768 B6R0.4 CC(C)CCO[13CH3] 34a_100000210254_200025704644 [0,2,0,0,0,0|0,0,2]=4 769 B6R0.4 CC(C)CCO[13CH3] 7a_100000210254_200025704644 [0,2,0,0,0,0|0,0,2]=4 770 B6R0.4 CC(C)CCS[13CH3] 62a_100000210312_200025704644 [0,2,0,0,0,0|0,1,1]=4 771 B6R0.4 CC(C)CCS[13CH3] 62a_200025704644_100000210312 [0,2,0,0,0,0|0,1,1]=4 772 B6R0.4 CC(C)CNCF 34a_100000210953_100015361967 [0,2,0,0,0,0|1,0,1]=4 773 B6R0.4 CC(C)COCF 34a_100000210257_100015361967 [0,2,0,0,0,0|0,0,2]=4 774 B6R0.4 CC(C)CSCF 62a_100000210624_100015361967 [0,2,0,0,0,0|0,1,1]=4 775 B6R0.4 CC(C)CSCF 62a_100015361967_100000210760 [0,2,0,0,0,0|0,1,1]=4 776 B6R0.4 CC(C)NCC#N 2230a_100138425928_100011215382 [0,2,0,0,0,0|1,0,1]=4 777 B6R0.4 CC(C)NCC=O 2230a_100138425928_200015260668 [0,2,0,0,0,0|0,0,0]=2 778 B6R0.4 CC(C)NCC=O 34a_100138425928_200009817547 [0,2,0,0,0,0|0,0,0]=2 779 B6R0.4 CC(C)NCCF 2230a_100138425928_100011217306 [0,2,0,0,0,0|1,0,1]=4 780 B6R0.4 CC(C)NCCF 34a_100000724931_100000210206 [0,2,0,0,0,0|1,0,1]=4 781 B6R0.4 CC(C)NCCF 34a_100138425928_100011217306 [0,2,0,0,0,0|1,0,1]=4 782 B6R0.4 CC(C)NCCO 2230a_100016997473_100000210206 [0,2,0,0,0,0|0,0,2]=4 783 B6R0.4 CC(C)NCCO 2230a_100138425928_100000211926 [0,2,0,0,0,0|0,0,2]=4 784 B6R0.4 CC(C)NCCO 34a_100016990907_100000210206 [0,2,0,0,0,0|0,0,2]=4 785 B6R0.4 CC(C)NCCO 34a_100138425928_100000211926 [0,2,0,0,0,0|0,0,2]=4 786 B6R0.4 CC(C)OCC=O 34a_100000212225_200009817547 [0,2,0,0,0,0|0,0,0]=2 787 B6R0.4 CC(C)OCCBr 34a_100000211926_100000210206 [0,2,0,0,0,0|1,0,1]=4 788 B6R0.4 CC(C)OCCF 34a_100000212225_100011217306 [0,2,0,0,0,0|1,0,1]=4 789 B6R0.4 CC(C)OCCN 34a_100000210304_100000210206 [0,2,0,0,0,0|1,0,1]=4 790 B6R0.4 CC(C)OCCO 34a_100000212225_100000211926 [0,2,0,0,0,0|0,0,2]=4 791 B6R0.4 CC(C)OCS[13CH3] 62a_100000709892_200025704644 [0,2,0,0,0,0|0,1,1]=4 792 B6R0.4 CC(C)OCS[13CH3] 62a_200025704644_100000709892 [0,2,0,0,0,0|0,1,1]=4 793 B6R0.4 CC(C)SCC#N 62a_100000210206_100011215382 [0,2,0,0,0,0|1,0,1]=4 794 B6R0.4 CC(C)SCC#N 62a_100011215382_100000210206 [0,2,0,0,0,0|1,0,1]=4 795 B6R0.4 CC(C)SCC=O 62a_100000210206_200015260668 [0,2,0,0,0,0|0,0,0]=2 796 B6R0.4 CC(C)SCC=O 62a_200015260668_100000210206 [0,2,0,0,0,0|0,0,0]=2 797 B6R0.4 CC(C)SCCF 62a_100000210206_100011217306 [0,2,0,0,0,0|1,0,1]=4 798 B6R0.4 CC(C)SCCF 62a_100011217306_100000210206 [0,2,0,0,0,0|1,0,1]=4 799 B6R0.4 CC(C)SCCO 62a_100000210206_100000211926 [0,2,0,0,0,0|0,0,2]=4 800 B6R0.4 CC(C)SCCO 62a_100000211926_100000210206 [0,2,0,0,0,0|0,0,2]=4 801 B6R0.4 CC=CCN(C)C 2230a_100102631434_100000070051 [0,2,0,0,0,0|2,0,0]=4 802 B6R0.4 CC=NNC(C)C 4a_100000741168_200000210099 [0,2,0,0,0,0|1,0,0]=3 803 B6R0.4 CCCNC(C)C 2230a_100138425928_100000210303 [0,2,0,0,0,0|1,0,1]=4 804 B6R0.4 CCCNC(C)C 34a_100138425928_100000210303 [0,2,0,0,0,0|1,0,1]=4 805 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [0,2,0,0,0,0|1,0,1]=4 806 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [0,2,0,0,0,0|1,0,1]=4 807 B6R0.4 CCCSC(C)C 62a_100000210206_100000210303 [0,2,0,0,0,0|1,0,1]=4 808 B6R0.4 CCCSC(C)C 62a_100000210303_100000210206 [0,2,0,0,0,0|1,0,1]=4 809 B6R0.4 CCNCC(C)C 2230a_100000210953_100000210202 [0,2,0,0,0,0|1,0,1]=4 810 B6R0.4 CCNCC(C)C 2230a_100015525214_100000210760 [0,2,0,0,0,0|1,0,1]=4 811 B6R0.4 CCNCC(C)C 270004a_100015525214_100000210432 [0,2,0,0,0,0|1,0,1]=4 812 B6R0.4 CCNCC(C)C 34a_100000210953_100000210202 [0,2,0,0,0,0|1,0,1]=4 813 B6R0.4 CCOCC(C)C 34a_100000210257_100000210202 [0,2,0,0,0,0|0,0,2]=4 814 B6R0.4 CCOCC(C)C 34a_100121572206_100000210624 [0,2,0,0,0,0|0,0,2]=4 815 B6R0.4 CCSCC(C)C 62a_100000210202_100000210760 [0,2,0,0,0,0|0,1,1]=4 816 B6R0.4 CCSCC(C)C 62a_100000210624_100000210202 [0,2,0,0,0,0|0,1,1]=4 817 B6R0.4 CNCC=C(C)C 2230a_106832991635_100000761012 [0,2,0,0,0,0|1,0,1]=4 818 B6R0.4 CNCC=C(C)C 34a_100000718196_200000210301 [0,2,0,0,0,0|1,0,1]=4 819 B6R0.4 CNCC=C(C)C 34a_100102657272_100000761012 [0,2,0,0,0,0|1,0,1]=4 820 B6R0.4 CNCC=C(C)C 7a_106832991635_100000761012 [0,2,0,0,0,0|1,0,1]=4 821 B6R0.4 CNCCC(C)C 2230a_106832991635_100000210312 [0,2,0,0,0,0|1,0,1]=4 822 B6R0.4 CNCCC(C)C 269862a_106832991636_100000185833 [0,2,0,0,0,0|1,0,1]=4 823 B6R0.4 CNCCC(C)C 34a_100102657272_100000210312 [0,2,0,0,0,0|1,0,1]=4 824 B6R0.4 CNCCC(C)C 7a_106832991635_100000210626 [0,2,0,0,0,0|1,0,1]=4 825 B6R0.4 CNCOC(C)C 2230a_106832991635_100000709892 [0,2,0,0,0,0|1,0,1]=4 826 B6R0.4 CNCOC(C)C 34a_100102657272_100000709892 [0,2,0,0,0,0|1,0,1]=4 827 B6R0.4 COCC=C(C)C 34a_100000753907_200000210301 [0,2,0,0,0,0|0,0,2]=4 828 B6R0.4 COCC=C(C)C 34a_100138415774_100000761012 [0,2,0,0,0,0|0,0,2]=4 829 B6R0.4 COCCC(C)C 34a_100000210254_200000210301 [0,2,0,0,0,0|0,0,2]=4 830 B6R0.4 COCCC(C)C 34a_100138415774_100000210312 [0,2,0,0,0,0|0,0,2]=4 831 B6R0.4 COCCC(C)C 7a_100000210254_200000210301 [0,2,0,0,0,0|0,0,2]=4 832 B6R0.4 COCNC(C)C 2230a_100138425928_100000766300 [0,2,0,0,0,0|0,0,2]=4 833 B6R0.4 COCOC(C)C 34a_100138415774_100000709892 [0,2,0,0,0,0|0,0,2]=4 834 B6R0.4 COCSC(C)C 62a_100000210206_100000766300 [0,2,0,0,0,0|0,0,2]=4 835 B6R0.4 COCSC(C)C 62a_100000766300_100000210206 [0,2,0,0,0,0|0,0,2]=4 836 B6R0.4 CSCC=C(C)C 62a_100000761012_200000210301 [0,2,0,0,0,0|0,1,1]=4 837 B6R0.4 CSCC=C(C)C 62a_200000210301_100000761012 [0,2,0,0,0,0|0,1,1]=4 838 B6R0.4 CSCCC(C)C 62a_100000210312_200000210301 [0,2,0,0,0,0|0,1,1]=4 839 B6R0.4 CSCCC(C)C 62a_200000210301_100000210312 [0,2,0,0,0,0|0,1,1]=4 840 B6R0.4 CSCNC(C)C 2230a_100138425928_100011218213 [0,2,0,0,0,0|0,1,1]=4 841 B6R0.4 CSCNC(C)C 34a_100138425928_100011218213 [0,2,0,0,0,0|0,1,1]=4 842 B6R0.4 CSCOC(C)C 34a_100000212225_100011218213 [0,2,0,0,0,0|0,1,1]=4 843 B6R0.4 CSCOC(C)C 62a_100000709892_200000210301 [0,2,0,0,0,0|0,1,1]=4 844 B6R0.4 CSCOC(C)C 62a_200000210301_100000709892 [0,2,0,0,0,0|0,1,1]=4 845 B6R0.4 CSCSC(C)C 62a_100000210206_100011218213 [0,2,0,0,0,0|0,1,1]=4 846 B6R0.4 CSCSC(C)C 62a_100011218213_100000210206 [0,2,0,0,0,0|0,1,1]=4 847 B6R0.5 CC(C)(C)CN[13CH3] 2230a_100000743828_200025704644 [0,2,0,0,0,0|1,0,1]=4 848 B6R0.5 CC(C)(C)CS[13CH3] 62a_100011219605_200025704644 [0,2,0,0,0,0|0,1,1]=4 849 B6R0.5 CC(C)(C)CS[13CH3] 62a_200025704644_100011219605 [0,2,0,0,0,0|0,1,1]=4 850 B6R0.5 CC(C)(C)OCF 34a_100015890283_100015361967 [0,2,0,0,0,0|1,0,1]=4 851 B6R0.5 CC(C)(C)OCF 7a_100015890283_100015361967 [0,2,0,0,0,0|1,0,1]=4 852 B6R0.5 CC(C)(C)SCF 62a_100000211941_100015361967 [0,2,0,0,0,0|1,0,1]=4 853 B6R0.5 CC(C)(C)SCF 62a_100015361967_100000211941 [0,2,0,0,0,0|1,0,1]=4 854 B6R0.5 CC(C)(F)CN[13CH3] 2230a_100020643315_200025704644 [0,2,0,0,0,0|1,0,1]=4 855 B6R0.5 CC(C)(F)CO[13CH3] 34a_100000716592_200025704644 [0,2,0,0,0,0|0,0,2]=4 856 B6R0.5 CC(C)(F)CS[13CH3] 62a_100011997219_200025704644 [0,2,0,0,0,0|0,1,1]=4 857 B6R0.5 CC(C)(F)CS[13CH3] 62a_200025704644_100011997219 [0,2,0,0,0,0|0,1,1]=4 858 B6R0.5 CC(C)(O)CN[13CH3] 2230a_100000751335_200025704644 [0,2,0,0,0,0|1,0,1]=4 859 B6R0.5 CC(C)(O)CS[13CH3] 62a_100000764493_200025704644 [0,2,0,0,0,0|0,1,1]=4 860 B6R0.5 CC(C)(O)CS[13CH3] 62a_200025704644_100000764493 [0,2,0,0,0,0|0,1,1]=4 861 B6R0.5 CCNC(C)(C)C 2230a_100000715429_100000210202 [0,2,0,0,0,0|1,0,1]=4 862 B6R0.5 CCOC(C)(C)C 34a_100015890283_100000210202 [0,2,0,0,0,0|1,0,1]=4 863 B6R0.5 CCOC(C)(C)C 34a_100121572206_100000210625 [0,2,0,0,0,0|1,0,1]=4 864 B6R0.5 CCOC(C)(C)C 7a_100015890283_100000210202 [0,2,0,0,0,0|1,0,1]=4 865 B6R0.5 CCSC(C)(C)C 62a_100000210202_100000211941 [0,2,0,0,0,0|1,0,1]=4 866 B6R0.5 CCSC(C)(C)C 62a_100000211941_100000210202 [0,2,0,0,0,0|1,0,1]=4 867 B6R0.5 CNCC(C)(C)C 2230a_100000743828_200000210301 [0,2,0,0,0,0|1,0,1]=4 868 B6R0.5 CNCC(C)(C)C 270004a_106832991635_100011204126 [0,2,0,0,0,0|1,0,1]=4 869 B6R0.5 CNCC(C)(C)C 34a_100102657272_100011219605 [0,2,0,0,0,0|1,0,1]=4 870 B6R0.5 CNCC(C)(C)F 2230a_100020643315_200000210301 [0,2,0,0,0,0|1,0,1]=4 871 B6R0.5 CNCC(C)(C)F 34a_100102657272_100011997219 [0,2,0,0,0,0|1,0,1]=4 872 B6R0.5 CNCC(C)(C)O 2230a_100000751335_200000210301 [0,2,0,0,0,0|1,0,1]=4 873 B6R0.5 CNCC(C)(C)O 34a_100102657272_100000764493 [0,2,0,0,0,0|1,0,1]=4 874 B6R0.5 CNCC(C)(C)O 7a_106832991635_100000764493 [0,2,0,0,0,0|1,0,1]=4 875 B6R0.5 COCC(C)(C)C 34a_100138415774_100011219605 [0,2,0,0,0,0|0,0,2]=4 876 B6R0.5 COCC(C)(C)F 34a_100000716592_200000210301 [0,2,0,0,0,0|0,0,2]=4 877 B6R0.5 COCC(C)(C)F 34a_100138415774_100011997219 [0,2,0,0,0,0|0,0,2]=4 878 B6R0.5 COCC(C)(C)O 34a_100138415774_100000764493 [0,2,0,0,0,0|0,0,2]=4 879 B6R0.5 CSCC(C)(C)C 62a_100011219605_200000210301 [0,2,0,0,0,0|0,1,1]=4 880 B6R0.5 CSCC(C)(C)C 62a_200000210301_100011219605 [0,2,0,0,0,0|0,1,1]=4 881 B6R0.5 CSCC(C)(C)F 62a_100011997219_200000210301 [0,2,0,0,0,0|0,1,1]=4 882 B6R0.5 CSCC(C)(C)F 62a_200000210301_100011997219 [0,2,0,0,0,0|0,1,1]=4 883 B6R0.5 CSCC(C)(C)O 62a_100000764493_200000210301 [0,2,0,0,0,0|0,1,1]=4 884 B6R0.5 CSCC(C)(C)O 62a_200000210301_100000764493 [0,2,0,0,0,0|0,1,1]=4 885 B6R0.8 C#CC(C)(C)NC 34a_100000054563_200000210301 [0,2,0,0,0,0|1,0,1]=4 886 B6R0.8 C#CC(C)(C)NC 34a_100102657272_100000038118 [0,2,0,0,0,0|1,0,1]=4 887 B6R0.8 C#CC(C)(C)N[13CH3] 34a_100000054563_200025704644 [0,2,0,0,0,0|1,0,1]=4 888 B6R0.8 C#CC(C)(C)OC 34a_100000189450_200000210301 [0,2,0,0,0,0|1,0,1]=4 889 B6R0.8 C#CC(C)(C)OC 34a_100138415774_100000038118 [0,2,0,0,0,0|1,0,1]=4 890 B6R0.8 C#CC(C)(C)OC 7a_100000189450_200000210301 [0,2,0,0,0,0|1,0,1]=4 891 B6R0.8 C#CC(C)(C)O[13CH3] 34a_100000189450_200025704644 [0,2,0,0,0,0|1,0,1]=4 892 B6R0.8 C#CC(C)(C)O[13CH3] 7a_100000189450_200025704644 [0,2,0,0,0,0|1,0,1]=4 893 B6R0.8 C#CC(C)(C)SC 62a_100000038118_200000210301 [0,2,0,0,0,0|1,0,1]=4 894 B6R0.8 C#CC(C)(C)SC 62a_200000210301_100000038118 [0,2,0,0,0,0|1,0,1]=4 895 B6R0.8 C#CC(C)(C)S[13CH3] 62a_100000038118_200025704644 [0,2,0,0,0,0|1,0,1]=4 896 B6R0.8 C#CC(C)(C)S[13CH3] 62a_200025704644_100000038118 [0,2,0,0,0,0|1,0,1]=4 897 B6R0.8 C=CC(C)(C)OC 34a_100011215311_200000210301 [0,2,0,0,0,0|1,0,0]=3 898 B6R0.8 C=CC(C)(C)OC 7a_100011215311_200000210301 [0,2,0,0,0,0|1,0,0]=3 899 B6R0.8 C=CC(C)(C)O[13CH3] 34a_100011215311_200025704644 [0,2,0,0,0,0|1,0,0]=3 900 B6R0.8 C=CC(C)(C)O[13CH3] 7a_100011215311_200025704644 [0,2,0,0,0,0|1,0,0]=3 901 B6R0.8 C=CC(F)(F)SC 62a_100009814244_200000210301 [0,2,0,0,0,0|2,0,0]=4 902 B6R0.8 C=CC(F)(F)SC 62a_200000210301_100009814244 [0,2,0,0,0,0|2,0,0]=4 903 B6R0.8 C=CC(F)(F)S[13CH3] 62a_100009814244_200025704644 [0,2,0,0,0,0|2,0,0]=4 904 B6R0.8 C=CC(F)(F)S[13CH3] 62a_200025704644_100009814244 [0,2,0,0,0,0|2,0,0]=4 905 B6R0.8 CC(C)(C#N)O[13CH3] 34a_200015195151_200025704644 [0,2,0,0,0,0|1,0,1]=4 906 B6R0.8 CC(C)(C#N)S[13CH3] 62a_100011162410_200025704644 [0,2,0,0,0,0|1,0,1]=4 907 B6R0.8 CC(C)(C#N)S[13CH3] 62a_200025704644_100011162410 [0,2,0,0,0,0|1,0,1]=4 908 B6R0.8 CC(C)(CCl)O[13CH3] 7a_100000764493_200025704644 [0,2,0,0,0,0|1,0,1]=4 909 B6R0.8 CC(C)(CO)N[13CH3] 2230a_100000210608_200025704644 [0,2,0,0,0,0|0,0,2]=4 910 B6R0.8 CCC(C)(C)NC 2230a_100000211385_200000210301 [0,2,0,0,0,0|1,0,1]=4 911 B6R0.8 CCC(C)(C)NC 7a_106832991635_100000210677 [0,2,0,0,0,0|1,0,1]=4 912 B6R0.8 CCC(C)(C)N[13CH3] 2230a_100000211385_200025704644 [0,2,0,0,0,0|1,0,1]=4 913 B6R0.8 CCC(C)(C)OC 7a_100000210230_200000210301 [0,2,0,0,0,0|1,0,1]=4 914 B6R0.8 CCC(C)(C)O[13CH3] 7a_100000210230_200025704644 [0,2,0,0,0,0|1,0,1]=4 915 B6R0.8 CCC(C)(C)SC 62a_100000032637_200000210301 [0,2,0,0,0,0|1,0,1]=4 916 B6R0.8 CCC(C)(C)SC 62a_200000210301_100000032637 [0,2,0,0,0,0|1,0,1]=4 917 B6R0.8 CCC(C)(C)S[13CH3] 62a_100000032637_200025704644 [0,2,0,0,0,0|1,0,1]=4 918 B6R0.8 CCC(C)(C)S[13CH3] 62a_200025704644_100000032637 [0,2,0,0,0,0|1,0,1]=4 919 B6R0.8 CNC(C)(C)C#N 34a_100102657272_100011162410 [0,2,0,0,0,0|1,0,1]=4 920 B6R0.8 CNC(C)(C)C#N 7a_106832991635_100011162410 [0,2,0,0,0,0|1,0,1]=4 921 B6R0.8 CNC(C)(C)CO 2230a_100000210608_200000210301 [0,2,0,0,0,0|0,0,2]=4 922 B6R0.8 COC(C)(C)C#N 34a_100138415774_100011162410 [0,2,0,0,0,0|1,0,1]=4 923 B6R0.8 COC(C)(C)C#N 34a_200015195151_200000210301 [0,2,0,0,0,0|1,0,1]=4 924 B6R0.8 COC(C)(C)CCl 7a_100000764493_200000210301 [0,2,0,0,0,0|1,0,1]=4 925 B6R0.8 CSC(C)(C)C#N 62a_100011162410_200000210301 [0,2,0,0,0,0|1,0,1]=4 926 B6R0.8 CSC(C)(C)C#N 62a_200000210301_100011162410 [0,2,0,0,0,0|1,0,1]=4 927 B6R0.9 C#CC(CC)OC 34a_100000758843_200000210301 [0,2,0,0,0,0|1,0,1]=4 928 B6R0.9 C#CC(CC)OC 7a_100000758843_200000210301 [0,2,0,0,0,0|1,0,1]=4 929 B6R0.9 C#CC(CC)O[13CH3] 34a_100000758843_200025704644 [0,2,0,0,0,0|1,0,1]=4 930 B6R0.9 C#CC(CC)O[13CH3] 7a_100000758843_200025704644 [0,2,0,0,0,0|1,0,1]=4 931 B6R0.9 C=CC(C=C)OC 34a_100000033096_200000210301 [0,2,0,0,0,0|1,0,1]=4 932 B6R0.9 C=CC(C=C)O[13CH3] 34a_100000033096_200025704644 [0,2,0,0,0,0|1,0,1]=4 933 B6R0.9 C=CC(CC)OC 34a_100000766422_200000210301 [0,2,0,0,0,0|1,0,0]=3 934 B6R0.9 C=CC(CC)OC 7a_100000766422_200000210301 [0,2,0,0,0,0|1,0,0]=3 935 B6R0.9 C=CC(CC)O[13CH3] 34a_100000766422_200025704644 [0,2,0,0,0,0|1,0,0]=3 936 B6R0.9 C=CC(CC)O[13CH3] 7a_100000766422_200025704644 [0,2,0,0,0,0|1,0,0]=3 937 B6R0.9 C=C[C@@H](CO)NC 2230a_100016989147_200000210301 [0,2,0,0,0,0|1,0,0]=3 938 B6R0.9 C=C[C@@H](CO)NC 34a_100016989147_200000210301 [0,2,0,0,0,0|1,0,0]=3 939 B6R0.9 C=C[C@@H](CO)N[13CH3] 2230a_100016989147_200025704644 [0,2,0,0,0,0|1,0,0]=3 940 B6R0.9 C=C[C@@H](CO)N[13CH3] 34a_100016989147_200025704644 [0,2,0,0,0,0|1,0,0]=3 941 B6R0.9 CCC(CC)NC 2230a_100000199018_200000210301 [0,2,0,0,0,0|1,0,1]=4 942 B6R0.9 CCC(CC)NC 270004a_106832991635_100000210860 [0,2,0,0,0,0|1,0,1]=4 943 B6R0.9 CCC(CC)NC 7a_106832991635_100000210505 [0,2,0,0,0,0|1,0,1]=4 944 B6R0.9 CCC(CC)N[13CH3] 2230a_100000199018_200025704644 [0,2,0,0,0,0|1,0,1]=4 945 B6R0.9 CCC(CC)OC 7a_100000688536_200000210301 [0,2,0,0,0,0|1,0,1]=4 946 B6R0.9 CCC(CC)O[13CH3] 7a_100000688536_200025704644 [0,2,0,0,0,0|1,0,1]=4 947 B6R0.9 CCC(CC)SC 62a_100000210505_200000210301 [0,2,0,0,0,0|1,0,1]=4 948 B6R0.9 CCC(CC)SC 62a_200000210301_100000210505 [0,2,0,0,0,0|1,0,1]=4 949 B6R0.9 CCC(CC)S[13CH3] 62a_100000210505_200025704644 [0,2,0,0,0,0|1,0,1]=4 950 B6R0.9 CCC(CC)S[13CH3] 62a_200025704644_100000210505 [0,2,0,0,0,0|1,0,1]=4 951 B6R0.9 CC[C@@H](CO)NC 2230a_100000709445_200000210301 [0,2,0,0,0,0|0,0,2]=4 952 B6R0.9 CC[C@@H](CO)N[13CH3] 2230a_100000709445_200025704644 [0,2,0,0,0,0|0,0,2]=4 953 B6R0.9 CNC(C=O)C=O 2230a_106832991635_100000736813 [0,2,0,0,0,0|0,0,1]=3 954 B6R0.9 CNC(C=O)C=O 34a_100102657272_100000736813 [0,2,0,0,0,0|0,0,1]=3 955 B6R0.9 CNC(CO)CO 2230a_100000759517_200000210301 [0,2,0,0,0,0|0,0,2]=4 956 B6R0.9 COC(C=O)C=O 34a_100138415774_100000736813 [0,2,0,0,0,0|0,0,1]=3 957 B6R0.9 COC(CCl)CCl 7a_100000737055_200000210301 [0,2,0,0,0,0|1,0,1]=4 958 B6R0.9 COC(CF)CF 34a_100000032261_200000210301 [0,2,0,0,0,0|1,0,1]=4 959 B6R0.9 COC(CF)CF 7a_100000032261_200000210301 [0,2,0,0,0,0|1,0,1]=4 960 B6R0.9 COC(CN)CN 34a_100000031598_200000210301 [0,2,0,0,0,0|1,0,1]=4 961 B6R0.9 CO[C@@H](CF)CCl 34a_100015614560_200000210301 [0,2,0,0,0,0|1,0,1]=4 962 B6R0.9 CO[C@@H](CF)CCl 7a_100015614560_200000210301 [0,2,0,0,0,0|1,0,1]=4 963 B6R0.9 CSC(C=O)C=O 62a_100000736813_200000210301 [0,2,0,0,0,0|0,0,1]=3 964 B6R0.9 CSC(C=O)C=O 62a_200000210301_100000736813 [0,2,0,0,0,0|0,0,1]=3 965 B6R0.9 [13CH3]NC(CO)CO 2230a_100000759517_200025704644 [0,2,0,0,0,0|0,0,2]=4 966 B6R0.9 [13CH3]OC(CCl)CCl 7a_100000737055_200025704644 [0,2,0,0,0,0|1,0,1]=4 967 B6R0.9 [13CH3]OC(CF)CF 34a_100000032261_200025704644 [0,2,0,0,0,0|1,0,1]=4 968 B6R0.9 [13CH3]OC(CF)CF 7a_100000032261_200025704644 [0,2,0,0,0,0|1,0,1]=4 969 B6R0.9 [13CH3]OC(CN)CN 34a_100000031598_200025704644 [0,2,0,0,0,0|1,0,1]=4 970 B6R0.9 [13CH3]O[C@@H](CF)CCl 34a_100015614560_200025704644 [0,2,0,0,0,0|1,0,1]=4 971 B6R0.9 [13CH3]O[C@@H](CF)CCl 7a_100015614560_200025704644 [0,2,0,0,0,0|1,0,1]=4 972 B6R0.9 [13CH3]SC(C=O)C=O 62a_100000736813_200025704644 [0,2,0,0,0,0|0,0,1]=3 973 B6R0.9 [13CH3]SC(C=O)C=O 62a_200025704644_100000736813 [0,2,0,0,0,0|0,0,1]=3 974 B6R0.7 CC(=O)C(C)(C)C 1458a_106744555173_200000210301 [0,2,0,0,0,0|0,0,0]=2 975 B6R0.7 CC(=O)C(C)(C)F 1458a_100000765255_200000210301 [0,2,0,0,0,0|0,0,0]=2 976 B6R0.7 CC(=O)C(C)(C)O 1458a_100000242741_200000210301 [0,2,0,0,0,0|0,0,0]=2 977 B6R0.7 CC(=O)C(F)(F)F 1458a_100000070787_200000243211 [0,2,0,0,0,0|2,0,0]=4 978 B6R0.7 CC(=O)C(F)(F)F 1458a_100015355933_200000210301 [0,2,0,0,0,0|2,0,0]=4 979 B6R0.7 CC(C)(C)C(=O)[13CH3] 1458a_106744555173_200025704644 [0,2,0,0,0,0|0,0,0]=2 980 B6R0.7 CC(C)(F)C(=O)[13CH3] 1458a_100000765255_200025704644 [0,2,0,0,0,0|0,0,0]=2 981 B6R0.7 CC(C)(O)C(=O)[13CH3] 1458a_100000242741_200025704644 [0,2,0,0,0,0|0,0,0]=2 982 B6R0.7 CN(C)C(C)(C)C 269982a_100011215553_200000210301 [0,2,0,0,0,0|2,0,0]=4 983 B6R0.7 CN(C)C(C)(C)C 269982a_100102631434_100000210625 [0,2,0,0,0,0|2,0,0]=4 984 B6R0.7 CN(C)S(=O)(=O)C 40a_100102631434_100000738038 [0,2,0,0,0,0|2,0,0]=4 985 B6R0.7 CN([13CH3])C(C)(C)C 269982a_100011215553_200025704644 [0,2,0,0,0,0|2,0,0]=4 986 B6R0.7 [13CH3]C(=O)C(F)(F)F 1458a_100015355933_200025704644 [0,2,0,0,0,0|2,0,0]=4 987 B6R1.2 CN1CC=CC1 269982a_100015195280_200000210301 [0,1,0,1,0,0|2,0,0]=4 988 B6R1.2 [13CH3]N1CC=CC1 269982a_100015195280_200025704644 [0,1,0,1,0,0|2,0,0]=4 989 B6R1.3 CCNC1CC1 34a_100000212008_100000210202 [0,1,0,1,0,0|1,0,1]=4 990 B6R1.3 CCOC1CC1 34a_100121572206_100000211595 [0,1,0,1,0,0|1,0,1]=4 991 B6R1.3 CCSC1CC1 62a_100000210202_100000211595 [0,1,0,1,0,0|1,0,1]=4 992 B6R1.3 CNCC1CC1 2230a_100000735609_200000210301 [0,1,0,1,0,0|1,0,1]=4 993 B6R1.3 CNCC1CC1 2230a_106832991635_100000742324 [0,1,0,1,0,0|1,0,1]=4 994 B6R1.3 CNCC1CC1 269862a_106832991636_100000741477 [0,1,0,1,0,0|1,0,1]=4 995 B6R1.3 CNCC1CC1 34a_100000735609_200000210301 [0,1,0,1,0,0|1,0,1]=4 996 B6R1.3 CNCC1CC1 34a_100102657272_100000742324 [0,1,0,1,0,0|1,0,1]=4 997 B6R1.3 CNCC1CC1 7a_106832991635_100000742324 [0,1,0,1,0,0|1,0,1]=4 998 B6R1.3 COCC1CC1 34a_100000211283_200000210301 [0,1,0,1,0,0|0,0,2]=4 999 B6R1.3 COCC1CC1 34a_100138415774_100000742324 [0,1,0,1,0,0|0,0,2]=4 1000 B6R1.3 CSCC1CC1 62a_100000756562_200000210301 [0,1,0,1,0,0|0,1,1]=4 1001 B6R1.3 CSCC1CC1 62a_200000210301_100000742324 [0,1,0,1,0,0|0,1,1]=4 1002 B6R1.3 FCNC1CC1 34a_100000212008_100015361967 [0,1,0,1,0,0|1,0,1]=4 1003 B6R1.3 FCSC1CC1 62a_100015361967_100000211595 [0,1,0,1,0,0|1,0,1]=4 1004 B6R1.3 [13CH3]NCC1CC1 2230a_100000735609_200025704644 [0,1,0,1,0,0|1,0,1]=4 1005 B6R1.3 [13CH3]NCC1CC1 34a_100000735609_200025704644 [0,1,0,1,0,0|1,0,1]=4 1006 B6R1.3 [13CH3]OCC1CC1 34a_100000211283_200025704644 [0,1,0,1,0,0|0,0,2]=4 1007 B6R1.3 [13CH3]SCC1CC1 62a_100000756562_200025704644 [0,1,0,1,0,0|0,1,1]=4 1008 B6R1.3 [13CH3]SCC1CC1 62a_200025704644_100000742324 [0,1,0,1,0,0|0,1,1]=4 1009 B6R1.5 CC1CN(C1)C 2230a_100000702820_200000210301 [0,1,0,1,0,0|1,0,1]=4 1010 B6R1.5 CC1CN(C1)C 269982a_100000702820_200000210301 [0,1,0,1,0,0|1,0,1]=4 1011 B6R1.5 CC1CN(C1)C 34a_100000702820_200000210301 [0,1,0,1,0,0|1,0,1]=4 1012 B6R1.5 CC1CN(C1)[13CH3] 2230a_100000702820_200025704644 [0,1,0,1,0,0|1,0,1]=4 1013 B6R1.5 CC1CN(C1)[13CH3] 269982a_100000702820_200025704644 [0,1,0,1,0,0|1,0,1]=4 1014 B6R1.5 CC1CN(C1)[13CH3] 34a_100000702820_200025704644 [0,1,0,1,0,0|1,0,1]=4 1015 B6R1.8 CN[C@@H]1C[C@@H]1F 2230a_100015190264_200000210301 [0,1,0,1,0,0|1,0,1]=4 1016 B6R1.8 CN[C@@H]1C[C@H]1F 2230a_100025746932_200000210301 [0,1,0,1,0,0|1,0,1]=4 1017 B6R1.8 CN[C@@H]1C[C@H]1F 34a_100025746932_200000210301 [0,1,0,1,0,0|1,0,1]=4 1018 B6R1.8 [13CH3]N[C@@H]1C[C@@H]1F 2230a_100015190264_200025704644 [0,1,0,1,0,0|1,0,1]=4 1019 B6R1.8 [13CH3]N[C@@H]1C[C@H]1F 2230a_100025746932_200025704644 [0,1,0,1,0,0|1,0,1]=4 1020 B6R1.8 [13CH3]N[C@@H]1C[C@H]1F 34a_100025746932_200025704644 [0,1,0,1,0,0|1,0,1]=4 1021 B6R1.11 CC(=O)C1CC1 1458a_100000210395_200000210301 [0,1,0,1,0,0|0,0,0]=2 1022 B6R1.11 CC(=O)C1CO1 1458a_100000701028_200000210301 [0,1,0,1,0,0|1,0,0]=3 1023 B6R1.11 CN(C)C1CC1 2230a_100000226674_200000210301 [0,1,0,1,0,0|2,0,0]=4 1024 B6R1.11 CN(C)C1CC1 269982a_100000226674_200000210301 [0,1,0,1,0,0|2,0,0]=4 1025 B6R1.11 CN(C)C1CC1 269982a_100102631434_100000211595 [0,1,0,1,0,0|2,0,0]=4 1026 B6R1.11 CN([13CH3])C1CC1 2230a_100000226674_200025704644 [0,1,0,1,0,0|2,0,0]=4 1027 B6R1.11 CN([13CH3])C1CC1 269982a_100000226674_200025704644 [0,1,0,1,0,0|2,0,0]=4 1028 B6R1.11 [13CH3]C(=O)C1CC1 1458a_100000210395_200025704644 [0,1,0,1,0,0|0,0,0]=2 1029 B6R1.11 [13CH3]C(=O)C1CO1 1458a_100000701028_200025704644 [0,1,0,1,0,0|1,0,0]=3 1030 B6R1.4 CC1CCN1C 269982a_100000755817_200000210301 [0,1,0,1,0,0|1,0,1]=4 1031 B6R1.4 CC1CCN1C 34a_100000755817_200000210301 [0,1,0,1,0,0|1,0,1]=4 1032 B6R1.4 CC1CCN1[13CH3] 269982a_100000755817_200025704644 [0,1,0,1,0,0|1,0,1]=4 1033 B6R1.4 CC1CCN1[13CH3] 34a_100000755817_200025704644 [0,1,0,1,0,0|1,0,1]=4 1034 B6R1.6 CNC1CCC1 2230a_100000749019_200000210301 [0,1,0,1,0,0|1,0,1]=4 1035 B6R1.6 CNC1CCC1 270004a_106832991635_100000241760 [0,1,0,1,0,0|1,0,1]=4 1036 B6R1.6 CNC1CCC1 34a_100000749019_200000210301 [0,1,0,1,0,0|1,0,1]=4 1037 B6R1.6 CNC1CCC1 34a_100102657272_100000749161 [0,1,0,1,0,0|1,0,1]=4 1038 B6R1.6 CNC1COC1 2230a_100016991112_200000210301 [0,1,0,1,0,0|0,0,2]=4 1039 B6R1.6 CNC1COC1 34a_100102657272_100009818527 [0,1,0,1,0,0|0,0,2]=4 1040 B6R1.6 CNC1COC1 7a_106832991635_100009818527 [0,1,0,1,0,0|0,0,2]=4 1041 B6R1.6 COC1CCC1 34a_100000748187_200000210301 [0,1,0,1,0,0|1,0,1]=4 1042 B6R1.6 COC1CCC1 34a_100138415774_100000749161 [0,1,0,1,0,0|1,0,1]=4 1043 B6R1.6 COC1COC1 34a_100138415774_100009818527 [0,1,0,1,0,0|0,0,2]=4 1044 B6R1.6 COC1CSC1 7a_100000072292_200000210301 [0,1,0,1,0,0|0,1,1]=4 1045 B6R1.6 CSC1CCC1 62a_200000210301_100000749161 [0,1,0,1,0,0|1,0,1]=4 1046 B6R1.6 CSC1COC1 62a_200000210301_100009818527 [0,1,0,1,0,0|0,0,2]=4 1047 B6R1.6 [13CH3]NC1CCC1 2230a_100000749019_200025704644 [0,1,0,1,0,0|1,0,1]=4 1048 B6R1.6 [13CH3]NC1CCC1 34a_100000749019_200025704644 [0,1,0,1,0,0|1,0,1]=4 1049 B6R1.6 [13CH3]NC1COC1 2230a_100016991112_200025704644 [0,1,0,1,0,0|0,0,2]=4 1050 B6R1.6 [13CH3]OC1CCC1 34a_100000748187_200025704644 [0,1,0,1,0,0|1,0,1]=4 1051 B6R1.6 [13CH3]OC1CSC1 7a_100000072292_200025704644 [0,1,0,1,0,0|0,1,1]=4 1052 B6R1.6 [13CH3]SC1CCC1 62a_200025704644_100000749161 [0,1,0,1,0,0|1,0,1]=4 1053 B6R1.6 [13CH3]SC1COC1 62a_200025704644_100009818527 [0,1,0,1,0,0|0,0,2]=4 1054 B6R1.7 CC1(CC1)N[13CH3] 2230a_100000757604_200025704644 [0,1,0,1,0,0|1,0,1]=4 1055 B6R1.7 CC1(CC1)O[13CH3] 7a_100011725673_200025704644 [0,1,0,1,0,0|1,0,1]=4 1056 B6R1.7 CNC1(CC1)C 2230a_100000757604_200000210301 [0,1,0,1,0,0|1,0,1]=4 1057 B6R1.7 COC1(CC1)C 7a_100011725673_200000210301 [0,1,0,1,0,0|1,0,1]=4