0 B4R0.1 C#CC(=O)C 1458a_100000211873_200000210301 [0,0,0,0,0,0|1,0,3]=4 1 B4R0.1 C#CC(=O)[13CH3] 1458a_100000211873_200025704644 [0,0,0,0,0,0|1,0,3]=4 2 B4R0.1 C=CC(=O)C 1458a_100000185746_200000210301 [0,0,0,0,0,0|1,0,2]=3 3 B4R0.1 C=CC(=O)[13CH3] 1458a_100000185746_200025704644 [0,0,0,0,0,0|1,0,2]=3 4 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [0,0,0,0,0,0|1,0,3]=4 5 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [0,0,0,0,0,0|0,0,4]=4 6 B4R0.1 CC(C)N[13CH3] 2230a_100138425928_200025704644 [0,0,0,0,0,0|3,0,0]=3 7 B4R0.1 CC(C)N[13CH3] 34a_100138425928_200025704644 [0,0,0,0,0,0|3,0,0]=3 8 B4R0.1 CC(C)O[13CH3] 34a_100000212225_200025704644 [0,0,0,0,0,0|3,0,0]=3 9 B4R0.1 CC(C)S[13CH3] 62a_100000210206_200025704644 [0,0,0,0,0,0|3,0,0]=3 10 B4R0.1 CC(C)S[13CH3] 62a_200025704644_100000210206 [0,0,0,0,0,0|3,0,0]=3 11 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [0,0,0,0,0,0|1,0,3]=4 12 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [0,0,0,0,0,0|1,0,3]=4 13 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [0,0,0,0,0,0|1,0,3]=4 14 B4R0.1 CCN(C)C 2230a_100000225621_200000210301 [0,0,0,0,0,0|3,0,1]=4 15 B4R0.1 CCN(C)C 2230a_100102631434_100000210202 [0,0,0,0,0,0|3,0,1]=4 16 B4R0.1 CCN(C)C 269982a_100000225621_200000210301 [0,0,0,0,0,0|3,0,1]=4 17 B4R0.1 CCN(C)C 269982a_100102631434_100000204670 [0,0,0,0,0,0|3,0,1]=4 18 B4R0.1 CCN(C)[13CH3] 2230a_100000225621_200025704644 [0,0,0,0,0,0|3,0,1]=4 19 B4R0.1 CCN(C)[13CH3] 269982a_100000225621_200025704644 [0,0,0,0,0,0|3,0,1]=4 20 B4R0.1 CN(C)CF 269982a_100102631434_100015361967 [0,0,0,0,0,0|3,0,1]=4 21 B4R0.1 CNC(=O)C 11a_106832991635_100015343762 [0,0,0,0,0,0|2,0,2]=4 22 B4R0.1 CNC(=O)C 1626a_100102657272_100015343762 [0,0,0,0,0,0|2,0,2]=4 23 B4R0.1 CNC(=O)C 240690a_100102657272_100015343762 [0,0,0,0,0,0|2,0,2]=4 24 B4R0.1 CNC(=O)C 527a_100102657272_100103153847 [0,0,0,0,0,0|2,0,2]=4 25 B4R0.1 CNC(C)C 2230a_100138425928_200000210301 [0,0,0,0,0,0|3,0,0]=3 26 B4R0.1 CNC(C)C 2230a_106832991635_100000210206 [0,0,0,0,0,0|3,0,0]=3 27 B4R0.1 CNC(C)C 34a_100102657272_100000210206 [0,0,0,0,0,0|3,0,0]=3 28 B4R0.1 CNC(C)C 34a_100138425928_200000210301 [0,0,0,0,0,0|3,0,0]=3 29 B4R0.1 CNC(C)C 7a_106832991635_100000210206 [0,0,0,0,0,0|3,0,0]=3 30 B4R0.1 COC(C)C 34a_100000212225_200000210301 [0,0,0,0,0,0|3,0,0]=3 31 B4R0.1 COC(C)C 34a_100138415774_100000210206 [0,0,0,0,0,0|3,0,0]=3 32 B4R0.1 CSC(C)C 62a_100000210206_200000210301 [0,0,0,0,0,0|3,0,0]=3 33 B4R0.1 CSC(C)C 62a_200000210301_100000210206 [0,0,0,0,0,0|3,0,0]=3 34 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [0,0,0,0,0,0|0,0,4]=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|1,0,1]=3 55 B3R0.2 CC(=O)[13CH3] 1458a_100000070787_200025704644 [1,0,0,0,0,0|1,0,1]=3 56 B3R0.2 CN(C)C 2230a_100102631434_200000210301 [1,0,0,0,0,0|2,0,1]=4 57 B3R0.2 CN(C)C 269982a_100102631434_200000210301 [1,0,0,0,0,0|2,0,1]=4 58 B3R0.2 CN(C)[13CH3] 2230a_100102631434_200025704644 [1,0,0,0,0,0|2,0,1]=4 59 B3R0.2 CN(C)[13CH3] 269982a_100102631434_200025704644 [1,0,0,0,0,0|2,0,1]=4 60 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [0,1,0,0,0,0|1,0,2]=4 61 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [0,1,0,0,0,0|1,0,2]=4 62 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [0,1,0,0,0,0|1,0,2]=4 63 B5R0.1 C=CCN(C)C 2230a_100000225617_200000210301 [0,1,0,0,0,0|3,0,0]=4 64 B5R0.1 C=CCN(C)C 2230a_100102631434_100000210623 [0,1,0,0,0,0|3,0,0]=4 65 B5R0.1 C=CCN(C)C 269982a_100000225617_200000210301 [0,1,0,0,0,0|3,0,0]=4 66 B5R0.1 C=CCN(C)C 269982a_100102631434_100000210623 [0,1,0,0,0,0|3,0,0]=4 67 B5R0.1 C=CCN(C)[13CH3] 2230a_100000225617_200025704644 [0,1,0,0,0,0|3,0,0]=4 68 B5R0.1 C=CCN(C)[13CH3] 269982a_100000225617_200025704644 [0,1,0,0,0,0|3,0,0]=4 69 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [0,1,0,0,0,0|1,0,2]=4 70 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [0,1,0,0,0,0|1,0,2]=4 71 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [0,1,0,0,0,0|1,0,2]=4 72 B5R0.1 CC(Br)CO[13CH3] 34a_100012180447_200025704644 [0,1,0,0,0,0|1,0,2]=4 73 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [0,1,0,0,0,0|2,0,1]=4 74 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [0,1,0,0,0,0|2,0,1]=4 75 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [0,1,0,0,0,0|1,0,2]=4 76 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [0,1,0,0,0,0|1,1,1]=4 77 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [0,1,0,0,0,0|1,1,1]=4 78 B5R0.1 CC(C)NCF 34a_100138425928_100015361967 [0,1,0,0,0,0|2,0,1]=4 79 B5R0.1 CC(C)OCF 34a_100000212225_100015361967 [0,1,0,0,0,0|2,0,1]=4 80 B5R0.1 CC(C)SCF 62a_100000210206_100015361967 [0,1,0,0,0,0|2,0,1]=4 81 B5R0.1 CC(C)SCF 62a_100015361967_100000210206 [0,1,0,0,0,0|2,0,1]=4 82 B5R0.1 CC(F)CO[13CH3] 34a_100015925927_200025704644 [0,1,0,0,0,0|1,0,2]=4 83 B5R0.1 CC(O)CN[13CH3] 2230a_100000210904_200025704644 [0,1,0,0,0,0|1,0,1]=3 84 B5R0.1 CC(O)CN[13CH3] 34a_100000210904_200025704644 [0,1,0,0,0,0|1,0,1]=3 85 B5R0.1 CC(O)CS[13CH3] 62a_100011218427_200025704644 [0,1,0,0,0,0|0,1,1]=3 86 B5R0.1 CC(O)CS[13CH3] 62a_200025704644_100011218427 [0,1,0,0,0,0|0,1,1]=3 87 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [0,1,0,0,0,0|1,0,2]=4 88 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [0,1,0,0,0,0|1,0,2]=4 89 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [0,1,0,0,0,0|2,0,1]=4 90 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [0,1,0,0,0,0|2,0,1]=4 91 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [0,1,0,0,0,0|2,0,1]=4 92 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [0,1,0,0,0,0|2,0,1]=4 93 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [0,1,0,0,0,0|2,0,1]=4 94 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [0,1,0,0,0,0|2,0,1]=4 95 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [0,1,0,0,0,0|2,0,1]=4 96 B5R0.1 CN(C)CC=O 2230a_100102631434_200015260668 [0,1,0,0,0,0|2,0,0]=3 97 B5R0.1 CN(C)CC=O 269982a_100102631434_200015260668 [0,1,0,0,0,0|2,0,0]=3 98 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [0,1,0,0,0,0|2,0,1]=4 99 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [0,1,0,0,0,0|2,0,1]=4 100 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [0,1,0,0,0,0|2,0,1]=4 101 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [0,1,0,0,0,0|2,0,1]=4 102 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [0,1,0,0,0,0|2,0,1]=4 103 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [0,1,0,0,0,0|2,0,1]=4 104 B5R0.1 CNCC(C)O 2230a_100000210904_200000210301 [0,1,0,0,0,0|1,0,1]=3 105 B5R0.1 CNCC(C)O 2230a_106832991635_100011218427 [0,1,0,0,0,0|1,0,1]=3 106 B5R0.1 CNCC(C)O 34a_100000210904_200000210301 [0,1,0,0,0,0|1,0,1]=3 107 B5R0.1 CNCC(C)O 34a_100102657272_100011218427 [0,1,0,0,0,0|1,0,1]=3 108 B5R0.1 CNCC(C)O 7a_106832991635_100011218427 [0,1,0,0,0,0|1,0,1]=3 109 B5R0.1 CNC[C@@H](C)O 2230a_106832991635_100009817552 [0,1,0,0,0,0|1,0,1]=3 110 B5R0.1 CNC[C@@H](C)O 34a_100102657272_100009817552 [0,1,0,0,0,0|1,0,1]=3 111 B5R0.1 CNC[C@@H](C)O 7a_106832991635_100009817552 [0,1,0,0,0,0|1,0,1]=3 112 B5R0.1 COCC(C)Br 34a_100012180447_200000210301 [0,1,0,0,0,0|1,0,2]=4 113 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [0,1,0,0,0,0|1,0,2]=4 114 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [0,1,0,0,0,0|1,0,2]=4 115 B5R0.1 COCC(C)F 34a_100015925927_200000210301 [0,1,0,0,0,0|1,0,2]=4 116 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [0,1,0,0,0,0|0,0,2]=3 117 B5R0.1 COC[C@@H](C)Cl 34a_100016084084_200000210301 [0,1,0,0,0,0|1,0,2]=4 118 B5R0.1 COC[C@@H](C)N 34a_100000737577_200000210301 [0,1,0,0,0,0|1,0,2]=4 119 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [0,1,0,0,0,0|0,0,2]=3 120 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [0,1,0,0,0,0|1,1,1]=4 121 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [0,1,0,0,0,0|1,1,1]=4 122 B5R0.1 CSCC(C)O 62a_100011218427_200000210301 [0,1,0,0,0,0|0,1,1]=3 123 B5R0.1 CSCC(C)O 62a_200000210301_100011218427 [0,1,0,0,0,0|0,1,1]=3 124 B5R0.1 CSC[C@@H](C)O 62a_100009817552_200000210301 [0,1,0,0,0,0|0,1,1]=3 125 B5R0.1 CSC[C@@H](C)O 62a_200000210301_100009817552 [0,1,0,0,0,0|0,1,1]=3 126 B5R0.1 C[C@@H](Cl)CO[13CH3] 34a_100016084084_200025704644 [0,1,0,0,0,0|1,0,2]=4 127 B5R0.1 C[C@@H](N)CO[13CH3] 34a_100000737577_200025704644 [0,1,0,0,0,0|1,0,2]=4 128 B5R0.1 C[C@@H](O)CS[13CH3] 62a_100009817552_200025704644 [0,1,0,0,0,0|0,1,1]=3 129 B5R0.1 C[C@@H](O)CS[13CH3] 62a_200025704644_100009817552 [0,1,0,0,0,0|0,1,1]=3 130 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [0,1,0,0,0,0|1,0,2]=4 131 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [0,1,0,0,0,0|1,0,2]=4 132 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [0,1,0,0,0,0|1,0,2]=4 133 B5R0.3 C#CC(C)NC 2230a_100000707721_200000210301 [0,1,0,0,0,0|2,0,1]=4 134 B5R0.3 C#CC(C)NC 34a_100000707721_200000210301 [0,1,0,0,0,0|2,0,1]=4 135 B5R0.3 C#CC(C)NC 34a_100102657272_200000035995 [0,1,0,0,0,0|2,0,1]=4 136 B5R0.3 C#CC(C)N[13CH3] 2230a_100000707721_200025704644 [0,1,0,0,0,0|2,0,1]=4 137 B5R0.3 C#CC(C)N[13CH3] 34a_100000707721_200025704644 [0,1,0,0,0,0|2,0,1]=4 138 B5R0.3 C#CC(C)OC 34a_100138415774_200000035995 [0,1,0,0,0,0|1,0,1]=3 139 B5R0.3 C#CC(C)SC 62a_200000035995_200000210301 [0,1,0,0,0,0|1,1,1]=4 140 B5R0.3 C#CC(C)S[13CH3] 62a_200000035995_200025704644 [0,1,0,0,0,0|1,1,1]=4 141 B5R0.3 C#C[C@@H](C)OC 34a_100009815206_200000210301 [0,1,0,0,0,0|1,0,1]=3 142 B5R0.3 C#C[C@@H](C)OC 7a_100009815206_200000210301 [0,1,0,0,0,0|1,0,1]=3 143 B5R0.3 C#C[C@@H](C)O[13CH3] 34a_100009815206_200025704644 [0,1,0,0,0,0|1,0,1]=3 144 B5R0.3 C#C[C@@H](C)O[13CH3] 7a_100009815206_200025704644 [0,1,0,0,0,0|1,0,1]=3 145 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [0,1,0,0,0,0|1,0,2]=4 146 B5R0.3 C=CC(=O)CF 1458a_100000185746_100015361967 [0,1,0,0,0,0|1,0,2]=4 147 B5R0.3 C=CC(=O)NC 1626a_100102657272_100000185746 [0,1,0,0,0,0|1,0,2]=4 148 B5R0.3 C=CC(=O)NC 240690a_100102657272_200121576911 [0,1,0,0,0,0|1,0,2]=4 149 B5R0.3 C=CC(C)OC 34a_100000695699_200000210301 [0,1,0,0,0,0|1,0,0]=2 150 B5R0.3 C=CC(C)O[13CH3] 34a_100000695699_200025704644 [0,1,0,0,0,0|1,0,0]=2 151 B5R0.3 C=CC(C)SC 62a_100011215867_200000210301 [0,1,0,0,0,0|1,1,0]=3 152 B5R0.3 C=CC(C)S[13CH3] 62a_100011215867_200025704644 [0,1,0,0,0,0|1,1,0]=3 153 B5R0.3 CC(C#N)N[13CH3] 2230a_100000737613_200025704644 [0,1,0,0,0,0|2,0,1]=4 154 B5R0.3 CC(C#N)O[13CH3] 34a_100011218135_200025704644 [0,1,0,0,0,0|1,0,1]=3 155 B5R0.3 CC(C#N)S[13CH3] 62a_100000703298_200025704644 [0,1,0,0,0,0|1,1,1]=4 156 B5R0.3 CC(C#N)S[13CH3] 62a_200025704644_100000703298 [0,1,0,0,0,0|1,1,1]=4 157 B5R0.3 CC(CF)O[13CH3] 34a_100016041109_200025704644 [0,1,0,0,0,0|1,0,1]=3 158 B5R0.3 CC(CF)O[13CH3] 7a_100016041109_200025704644 [0,1,0,0,0,0|1,0,1]=3 159 B5R0.3 CC(CN)O[13CH3] 34a_100000210904_200025704644 [0,1,0,0,0,0|1,0,1]=3 160 B5R0.3 CC(CO)S[13CH3] 62a_100012180447_200025704644 [0,1,0,0,0,0|2,0,0]=3 161 B5R0.3 CCC(C)NC 2230a_100000209981_200000210301 [0,1,0,0,0,0|2,0,1]=4 162 B5R0.3 CCC(C)NC 2230a_106832991635_100000758301 [0,1,0,0,0,0|2,0,1]=4 163 B5R0.3 CCC(C)NC 34a_100102657272_100011215416 [0,1,0,0,0,0|2,0,1]=4 164 B5R0.3 CCC(C)NC 7a_106832991635_100000758301 [0,1,0,0,0,0|2,0,1]=4 165 B5R0.3 CCC(C)N[13CH3] 2230a_100000209981_200025704644 [0,1,0,0,0,0|2,0,1]=4 166 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [0,1,0,0,0,0|1,0,1]=3 167 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [0,1,0,0,0,0|1,0,1]=3 168 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [0,1,0,0,0,0|1,0,1]=3 169 B5R0.3 CCC(C)SC 62a_100000758301_200000210301 [0,1,0,0,0,0|1,1,1]=4 170 B5R0.3 CCC(C)SC 62a_200000210301_100000758301 [0,1,0,0,0,0|1,1,1]=4 171 B5R0.3 CCC(C)S[13CH3] 62a_100000758301_200025704644 [0,1,0,0,0,0|1,1,1]=4 172 B5R0.3 CCC(C)S[13CH3] 62a_200025704644_100000758301 [0,1,0,0,0,0|1,1,1]=4 173 B5R0.3 CNC(C)C#N 2230a_100000737613_200000210301 [0,1,0,0,0,0|2,0,1]=4 174 B5R0.3 CNC(C)C#N 2230a_106832991635_100000184139 [0,1,0,0,0,0|2,0,1]=4 175 B5R0.3 CNC(C)C#N 7a_106832991635_100000703298 [0,1,0,0,0,0|2,0,1]=4 176 B5R0.3 CNC(C)CO 2230a_106832991635_100012180447 [0,1,0,0,0,0|2,0,0]=3 177 B5R0.3 CNC(C)CO 34a_100102657272_100012180447 [0,1,0,0,0,0|2,0,0]=3 178 B5R0.3 CNC(C)CO 7a_106832991635_100012180447 [0,1,0,0,0,0|2,0,0]=3 179 B5R0.3 CN[C@H](C)CO 2230a_100000737577_200000210301 [0,1,0,0,0,0|2,0,0]=3 180 B5R0.3 COC(C)C#N 34a_100011218135_200000210301 [0,1,0,0,0,0|1,0,1]=3 181 B5R0.3 COC(C)CF 34a_100016041109_200000210301 [0,1,0,0,0,0|1,0,1]=3 182 B5R0.3 COC(C)CF 7a_100016041109_200000210301 [0,1,0,0,0,0|1,0,1]=3 183 B5R0.3 COC(C)CN 34a_100000210904_200000210301 [0,1,0,0,0,0|1,0,1]=3 184 B5R0.3 COC(C)CO 34a_100138415774_100012180447 [0,1,0,0,0,0|0,0,2]=3 185 B5R0.3 COC(C)SC 62a_100009879195_200000210301 [0,1,0,0,0,0|2,0,0]=3 186 B5R0.3 COC(C)SC 62a_200000210301_100009879195 [0,1,0,0,0,0|2,0,0]=3 187 B5R0.3 COC(C)S[13CH3] 62a_100009879195_200025704644 [0,1,0,0,0,0|2,0,0]=3 188 B5R0.3 COC(C)S[13CH3] 62a_200025704644_100009879195 [0,1,0,0,0,0|2,0,0]=3 189 B5R0.3 CSC(C)C#N 62a_100000703298_200000210301 [0,1,0,0,0,0|1,1,1]=4 190 B5R0.3 CSC(C)C#N 62a_200000210301_100000703298 [0,1,0,0,0,0|1,1,1]=4 191 B5R0.3 CSC(C)CO 62a_100012180447_200000210301 [0,1,0,0,0,0|2,0,0]=3 192 B5R0.3 CSC(F)C#N 62a_200000117898_200000210301 [0,1,0,0,0,0|2,0,1]=4 193 B5R0.3 CSC(F)C#N 62a_200000210301_200000117898 [0,1,0,0,0,0|2,0,1]=4 194 B5R0.3 CS[C@H](C)CO 62a_100016084084_200000210301 [0,1,0,0,0,0|2,0,0]=3 195 B5R0.3 CS[C@H](C)CO 62a_200000210301_100016084084 [0,1,0,0,0,0|2,0,0]=3 196 B5R0.3 C[C@H](CO)N[13CH3] 2230a_100000737577_200025704644 [0,1,0,0,0,0|2,0,0]=3 197 B5R0.3 C[C@H](CO)S[13CH3] 62a_100016084084_200025704644 [0,1,0,0,0,0|2,0,0]=3 198 B5R0.3 C[C@H](CO)S[13CH3] 62a_200025704644_100016084084 [0,1,0,0,0,0|2,0,0]=3 199 B5R0.3 [13CH3]SC(F)C#N 62a_200000117898_200025704644 [0,1,0,0,0,0|2,0,1]=4 200 B5R0.3 [13CH3]SC(F)C#N 62a_200025704644_200000117898 [0,1,0,0,0,0|2,0,1]=4 201 B5R0.4 CC(C)(C)N[13CH3] 2230a_100000715429_200025704644 [0,1,0,0,0,0|3,0,0]=4 202 B5R0.4 CC(C)(C)O[13CH3] 34a_100015890283_200025704644 [0,1,0,0,0,0|3,0,0]=4 203 B5R0.4 CC(C)(C)O[13CH3] 7a_100015890283_200025704644 [0,1,0,0,0,0|3,0,0]=4 204 B5R0.4 CC(C)(C)S[13CH3] 62a_100000211941_200025704644 [0,1,0,0,0,0|3,0,0]=4 205 B5R0.4 CC(C)(C)S[13CH3] 62a_200025704644_100000211941 [0,1,0,0,0,0|3,0,0]=4 206 B5R0.4 CNC(C)(C)C 2230a_100000715429_200000210301 [0,1,0,0,0,0|3,0,0]=4 207 B5R0.4 CNC(C)(C)C 34a_100102657272_100000210625 [0,1,0,0,0,0|3,0,0]=4 208 B5R0.4 COC(C)(C)C 34a_100015890283_200000210301 [0,1,0,0,0,0|3,0,0]=4 209 B5R0.4 COC(C)(C)C 34a_100138415774_100000210625 [0,1,0,0,0,0|3,0,0]=4 210 B5R0.4 COC(C)(C)C 7a_100015890283_200000210301 [0,1,0,0,0,0|3,0,0]=4 211 B5R0.4 CSC(C)(C)C 62a_100000211941_200000210301 [0,1,0,0,0,0|3,0,0]=4 212 B5R0.4 CSC(C)(C)C 62a_200000210301_100000211941 [0,1,0,0,0,0|3,0,0]=4 213 B5R0.5 C=C(C)C(=O)C 1458a_100000185857_200000210301 [0,1,0,0,0,0|1,0,1]=3 214 B5R0.5 C=C(C)C(=O)[13CH3] 1458a_100000185857_200025704644 [0,1,0,0,0,0|1,0,1]=3 215 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [0,1,0,0,0,0|1,0,0]=2 216 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [0,1,0,0,0,0|1,0,0]=2 217 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [0,1,0,0,0,0|1,0,0]=2 218 B5R0.5 CC(=O)C(O)O 1458a_100000233687_200000210301 [0,1,0,0,0,0|1,0,0]=2 219 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [0,1,0,0,0,0|2,0,0]=3 220 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [0,1,0,0,0,0|2,0,0]=3 221 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [0,1,0,0,0,0|2,0,0]=3 222 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [0,1,0,0,0,0|2,0,0]=3 223 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [0,1,0,0,0,0|0,0,0]=1 224 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [0,1,0,0,0,0|0,0,0]=1 225 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [0,1,0,0,0,0|1,0,0]=2 226 B5R0.5 CC(C)N(C)C 2230a_100102631434_100000210206 [0,1,0,0,0,0|3,0,0]=4 227 B5R0.5 CC(C)N(C)C 269982a_100102631434_100000210206 [0,1,0,0,0,0|3,0,0]=4 228 B5R0.5 CC(C)N(C)C 269982a_200000211004_200000210301 [0,1,0,0,0,0|3,0,0]=4 229 B5R0.5 CC(C)N(C)[13CH3] 269982a_200000211004_200025704644 [0,1,0,0,0,0|3,0,0]=4 230 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [0,1,0,0,0,0|1,0,0]=2 231 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [0,1,0,0,0,0|0,0,0]=1 232 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [0,1,0,0,0,0|0,0,0]=1 233 B5R0.5 [13CH3]C(=O)C(O)O 1458a_100000233687_200025704644 [0,1,0,0,0,0|1,0,0]=2 234 B5R1.3 CNC1CC1 34a_100000212008_200000210301 [0,0,0,1,0,0|3,0,0]=4 235 B5R1.3 CNC1CC1 34a_100102657272_100000211595 [0,0,0,1,0,0|3,0,0]=4 236 B5R1.3 COC1CC1 34a_100138415774_100000211595 [0,0,0,1,0,0|3,0,0]=4 237 B5R1.3 CSC1CC1 62a_200000210301_100000211595 [0,0,0,1,0,0|3,0,0]=4 238 B5R1.3 [13CH3]NC1CC1 34a_100000212008_200025704644 [0,0,0,1,0,0|3,0,0]=4 239 B5R1.3 [13CH3]SC1CC1 62a_200025704644_100000211595 [0,0,0,1,0,0|3,0,0]=4 240 B2R0.1 CNC 2230a_106832991635_200000210301 [2,0,0,0,0,0|1,0,1]=4 241 B2R0.1 CNC 34a_100102657272_200000210301 [2,0,0,0,0,0|1,0,1]=4 242 B2R0.1 CNC 7a_106832991635_200000210301 [2,0,0,0,0,0|1,0,1]=4 243 B2R0.1 CN[13CH3] 2230a_106832991635_200025704644 [2,0,0,0,0,0|1,0,1]=4 244 B2R0.1 CN[13CH3] 34a_100102657272_200025704644 [2,0,0,0,0,0|1,0,1]=4 245 B2R0.1 CN[13CH3] 7a_106832991635_200025704644 [2,0,0,0,0,0|1,0,1]=4 246 B2R0.1 COC 34a_100138415774_200000210301 [2,0,0,0,0,0|1,0,1]=4 247 B2R0.1 CO[13CH3] 34a_100138415774_200025704644 [2,0,0,0,0,0|1,0,1]=4 248 B2R0.1 CSC 62a_200000210301_200000210301 [2,0,0,0,0,0|1,0,1]=4 249 B2R0.1 CS[13CH3] 62a_200000210301_200025704644 [2,0,0,0,0,0|1,0,1]=4 250 B2R0.1 CS[13CH3] 62a_200025704644_200000210301 [2,0,0,0,0,0|1,0,1]=4 251 B2R0.1 [13CH3]S[13CH3] 62a_200025704644_200025704644 [2,0,0,0,0,0|1,0,1]=4 252 B4R0.2 C#CCNC 2230a_106832991635_100000038162 [1,1,0,0,0,0|1,0,1]=4 253 B4R0.2 C#CCNC 34a_100000212058_200000210301 [1,1,0,0,0,0|1,0,1]=4 254 B4R0.2 C#CCNC 34a_100102657272_100000184674 [1,1,0,0,0,0|1,0,1]=4 255 B4R0.2 C#CCNC 7a_106832991635_100000038162 [1,1,0,0,0,0|1,0,1]=4 256 B4R0.2 C#CCN[13CH3] 34a_100000212058_200025704644 [1,1,0,0,0,0|1,0,1]=4 257 B4R0.2 C#CCOC 34a_100000210247_200000210301 [1,1,0,0,0,0|1,0,1]=4 258 B4R0.2 C#CCOC 34a_100138415774_100000184674 [1,1,0,0,0,0|1,0,1]=4 259 B4R0.2 C#CCO[13CH3] 34a_100000210247_200025704644 [1,1,0,0,0,0|1,0,1]=4 260 B4R0.2 C#CCSC 62a_100000038162_200000210301 [1,1,0,0,0,0|1,0,1]=4 261 B4R0.2 C#CCS[13CH3] 62a_100000038162_200025704644 [1,1,0,0,0,0|1,0,1]=4 262 B4R0.2 C=CCNC 2230a_100020586998_200000210301 [1,1,0,0,0,0|1,0,0]=3 263 B4R0.2 C=CCNC 2230a_106832991635_100000210623 [1,1,0,0,0,0|1,0,0]=3 264 B4R0.2 C=CCNC 34a_100102657272_100015514636 [1,1,0,0,0,0|1,0,0]=3 265 B4R0.2 C=CCNC 7a_106832991635_100015514636 [1,1,0,0,0,0|1,0,0]=3 266 B4R0.2 C=CCN[13CH3] 2230a_100020586998_200025704644 [1,1,0,0,0,0|1,0,0]=3 267 B4R0.2 C=CCOC 34a_100138415774_100015514636 [1,1,0,0,0,0|1,0,0]=3 268 B4R0.2 C=CCOC 34a_200000210373_200000210301 [1,1,0,0,0,0|1,0,0]=3 269 B4R0.2 C=CCO[13CH3] 34a_200000210373_200025704644 [1,1,0,0,0,0|1,0,0]=3 270 B4R0.2 C=CCSC 62a_100000210623_200000210301 [1,1,0,0,0,0|1,0,0]=3 271 B4R0.2 C=CCSC 62a_200000210301_100000210623 [1,1,0,0,0,0|1,0,0]=3 272 B4R0.2 C=CCS[13CH3] 62a_100000210623_200025704644 [1,1,0,0,0,0|1,0,0]=3 273 B4R0.2 C=CCS[13CH3] 62a_200025704644_100000210623 [1,1,0,0,0,0|1,0,0]=3 274 B4R0.2 CCCNC 2230a_106832991635_100000210303 [1,1,0,0,0,0|1,0,1]=4 275 B4R0.2 CCCNC 34a_100102657272_100000210303 [1,1,0,0,0,0|1,0,1]=4 276 B4R0.2 CCCNC 7a_106832991635_100000210303 [1,1,0,0,0,0|1,0,1]=4 277 B4R0.2 CCCOC 34a_100000210258_200000210301 [1,1,0,0,0,0|0,0,2]=4 278 B4R0.2 CCCOC 34a_100138415774_100000210303 [1,1,0,0,0,0|0,0,2]=4 279 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [1,1,0,0,0,0|0,0,2]=4 280 B4R0.2 CCCSC 62a_100000210303_200000210301 [1,1,0,0,0,0|0,1,1]=4 281 B4R0.2 CCCSC 62a_200000210301_100000210303 [1,1,0,0,0,0|0,1,1]=4 282 B4R0.2 CCCS[13CH3] 62a_100000210303_200025704644 [1,1,0,0,0,0|0,1,1]=4 283 B4R0.2 CCCS[13CH3] 62a_200025704644_100000210303 [1,1,0,0,0,0|0,1,1]=4 284 B4R0.2 CCNCC 2230a_100015525214_100000210202 [1,1,0,0,0,0|1,0,1]=4 285 B4R0.2 CCOCC 34a_100121572206_100000210202 [1,1,0,0,0,0|1,0,1]=4 286 B4R0.2 CCOCF 34a_100121572206_100015361967 [1,1,0,0,0,0|1,0,1]=4 287 B4R0.2 CCSCC 62a_100000210202_100000210202 [1,1,0,0,0,0|1,0,1]=4 288 B4R0.2 CCSCF 62a_100000210202_100015361967 [1,1,0,0,0,0|1,0,1]=4 289 B4R0.2 CCSCF 62a_100015361967_100000210202 [1,1,0,0,0,0|1,0,1]=4 290 B4R0.2 CNCC#N 2230a_106832991635_100011215382 [1,1,0,0,0,0|1,0,1]=4 291 B4R0.2 CNCC#N 7a_106832991635_100011215382 [1,1,0,0,0,0|1,0,1]=4 292 B4R0.2 CNCC=O 2230a_106832991635_200015260668 [1,1,0,0,0,0|0,0,0]=2 293 B4R0.2 CNCC=O 34a_100102657272_200009817547 [1,1,0,0,0,0|0,0,0]=2 294 B4R0.2 CNCC=O 7a_106832991635_200015260668 [1,1,0,0,0,0|0,0,0]=2 295 B4R0.2 CNCCF 2230a_106832991635_100011217306 [1,1,0,0,0,0|1,0,1]=4 296 B4R0.2 CNCCF 34a_100000724931_200000210301 [1,1,0,0,0,0|1,0,1]=4 297 B4R0.2 CNCCF 34a_100102657272_100011217306 [1,1,0,0,0,0|1,0,1]=4 298 B4R0.2 CNCCF 7a_106832991635_100011217306 [1,1,0,0,0,0|1,0,1]=4 299 B4R0.2 CNCCO 2230a_100016997473_200000210301 [1,1,0,0,0,0|0,0,2]=4 300 B4R0.2 CNCCO 2230a_106832991635_100000211926 [1,1,0,0,0,0|0,0,2]=4 301 B4R0.2 CNCCO 34a_100016990907_200000210301 [1,1,0,0,0,0|0,0,2]=4 302 B4R0.2 CNCCO 34a_100102657272_100000211926 [1,1,0,0,0,0|0,0,2]=4 303 B4R0.2 CNCCO 7a_106832991635_100000211926 [1,1,0,0,0,0|0,0,2]=4 304 B4R0.2 CNCOC 2230a_106832991635_100000766300 [1,1,0,0,0,0|2,0,0]=4 305 B4R0.2 CNCSC 2230a_106832991635_100011218213 [1,1,0,0,0,0|2,0,0]=4 306 B4R0.2 CNCSC 34a_100102657272_100011218213 [1,1,0,0,0,0|2,0,0]=4 307 B4R0.2 COCC=O 34a_100138415774_200009817547 [1,1,0,0,0,0|0,0,0]=2 308 B4R0.2 COCCBr 34a_100000211926_200000210301 [1,1,0,0,0,0|1,0,1]=4 309 B4R0.2 COCCF 34a_100138415774_100011217306 [1,1,0,0,0,0|1,0,1]=4 310 B4R0.2 COCCN 34a_100000210304_200000210301 [1,1,0,0,0,0|1,0,1]=4 311 B4R0.2 COCCO 34a_100138415774_100000211926 [1,1,0,0,0,0|0,0,2]=4 312 B4R0.2 COCSC 34a_100138415774_100011218213 [1,1,0,0,0,0|2,0,0]=4 313 B4R0.2 COCSC 62a_100000766300_200000210301 [1,1,0,0,0,0|2,0,0]=4 314 B4R0.2 COCSC 62a_200000210301_100000766300 [1,1,0,0,0,0|2,0,0]=4 315 B4R0.2 COCS[13CH3] 62a_100000766300_200025704644 [1,1,0,0,0,0|2,0,0]=4 316 B4R0.2 COCS[13CH3] 62a_200025704644_100000766300 [1,1,0,0,0,0|2,0,0]=4 317 B4R0.2 CSCC#N 62a_100011215382_200000210301 [1,1,0,0,0,0|1,0,1]=4 318 B4R0.2 CSCC#N 62a_200000210301_100011215382 [1,1,0,0,0,0|1,0,1]=4 319 B4R0.2 CSCC=O 62a_200000210301_200015260668 [1,1,0,0,0,0|0,0,0]=2 320 B4R0.2 CSCC=O 62a_200015260668_200000210301 [1,1,0,0,0,0|0,0,0]=2 321 B4R0.2 CSCCF 62a_100011217306_200000210301 [1,1,0,0,0,0|1,0,1]=4 322 B4R0.2 CSCCF 62a_200000210301_100011217306 [1,1,0,0,0,0|1,0,1]=4 323 B4R0.2 CSCCO 62a_100000211926_200000210301 [1,1,0,0,0,0|0,0,2]=4 324 B4R0.2 CSCCO 62a_200000210301_100000211926 [1,1,0,0,0,0|0,0,2]=4 325 B4R0.2 CSCSC 62a_100011218213_200000210301 [1,1,0,0,0,0|2,0,0]=4 326 B4R0.2 CSCSC 62a_200000210301_100011218213 [1,1,0,0,0,0|2,0,0]=4 327 B4R0.2 CSCS[13CH3] 62a_100011218213_200025704644 [1,1,0,0,0,0|2,0,0]=4 328 B4R0.2 CSCS[13CH3] 62a_200025704644_100011218213 [1,1,0,0,0,0|2,0,0]=4 329 B4R0.2 [13CH3]NCCF 34a_100000724931_200025704644 [1,1,0,0,0,0|1,0,1]=4 330 B4R0.2 [13CH3]NCCO 2230a_100016997473_200025704644 [1,1,0,0,0,0|0,0,2]=4 331 B4R0.2 [13CH3]NCCO 34a_100016990907_200025704644 [1,1,0,0,0,0|0,0,2]=4 332 B4R0.2 [13CH3]OCCBr 34a_100000211926_200025704644 [1,1,0,0,0,0|1,0,1]=4 333 B4R0.2 [13CH3]OCCN 34a_100000210304_200025704644 [1,1,0,0,0,0|1,0,1]=4 334 B4R0.2 [13CH3]SCC#N 62a_100011215382_200025704644 [1,1,0,0,0,0|1,0,1]=4 335 B4R0.2 [13CH3]SCC#N 62a_200025704644_100011215382 [1,1,0,0,0,0|1,0,1]=4 336 B4R0.2 [13CH3]SCC=O 62a_200015260668_200025704644 [1,1,0,0,0,0|0,0,0]=2 337 B4R0.2 [13CH3]SCC=O 62a_200025704644_200015260668 [1,1,0,0,0,0|0,0,0]=2 338 B4R0.2 [13CH3]SCCF 62a_100011217306_200025704644 [1,1,0,0,0,0|1,0,1]=4 339 B4R0.2 [13CH3]SCCF 62a_200025704644_100011217306 [1,1,0,0,0,0|1,0,1]=4 340 B4R0.2 [13CH3]SCCO 62a_100000211926_200025704644 [1,1,0,0,0,0|0,0,2]=4 341 B4R0.2 [13CH3]SCCO 62a_200025704644_100000211926 [1,1,0,0,0,0|0,0,2]=4 342 B6R0.1 C#CC(C)OCC 34a_100121572206_200000035995 [0,2,0,0,0,0|1,0,1]=4 343 B6R0.1 C#CCC(C)OC 34a_100000685586_200000210301 [0,2,0,0,0,0|1,0,1]=4 344 B6R0.1 C#CCC(C)OC 7a_100000685586_200000210301 [0,2,0,0,0,0|1,0,1]=4 345 B6R0.1 C#CCC(C)O[13CH3] 34a_100000685586_200025704644 [0,2,0,0,0,0|1,0,1]=4 346 B6R0.1 C#CCC(C)O[13CH3] 7a_100000685586_200025704644 [0,2,0,0,0,0|1,0,1]=4 347 B6R0.1 C#C[C@@H](C)OCC 34a_100009815206_100000210202 [0,2,0,0,0,0|1,0,1]=4 348 B6R0.1 C#C[C@@H](C)OCC 7a_100009815206_100000210202 [0,2,0,0,0,0|1,0,1]=4 349 B6R0.1 C#C[C@@H](C)OCF 34a_100009815206_100015361967 [0,2,0,0,0,0|1,0,1]=4 350 B6R0.1 C#C[C@@H](C)OCF 7a_100009815206_100015361967 [0,2,0,0,0,0|1,0,1]=4 351 B6R0.1 C/C=C/C(C)OC 34a_200102604097_200000210301 [0,2,0,0,0,0|1,0,0]=3 352 B6R0.1 C/C=C/C(C)O[13CH3] 34a_200102604097_200025704644 [0,2,0,0,0,0|1,0,0]=3 353 B6R0.1 C=CC(C)COC 34a_100011215527_200000210301 [0,2,0,0,0,0|1,0,0]=3 354 B6R0.1 C=CC(C)COC 7a_100011215527_200000210301 [0,2,0,0,0,0|1,0,0]=3 355 B6R0.1 C=CC(C)CO[13CH3] 34a_100011215527_200025704644 [0,2,0,0,0,0|1,0,0]=3 356 B6R0.1 C=CC(C)CO[13CH3] 7a_100011215527_200025704644 [0,2,0,0,0,0|1,0,0]=3 357 B6R0.1 C=CC(C)OCC 34a_100000695699_100000210202 [0,2,0,0,0,0|1,0,0]=3 358 B6R0.1 C=CC(C)OCF 34a_100000695699_100015361967 [0,2,0,0,0,0|1,0,0]=3 359 B6R0.1 C=CC(C)SCC 62a_100011215867_100000210202 [0,2,0,0,0,0|1,1,0]=4 360 B6R0.1 C=CC(C)SCF 62a_100011215867_100015361967 [0,2,0,0,0,0|1,1,0]=4 361 B6R0.1 C=CC(O)CNC 2230a_106832991635_100000730141 [0,2,0,0,0,0|1,0,0]=3 362 B6R0.1 C=CC(O)CNC 34a_100102657272_100000730141 [0,2,0,0,0,0|1,0,0]=3 363 B6R0.1 C=CC(O)CNC 7a_106832991635_100000730141 [0,2,0,0,0,0|1,0,0]=3 364 B6R0.1 C=CC(O)COC 34a_100138415774_100000730141 [0,2,0,0,0,0|1,0,0]=3 365 B6R0.1 C=CC(O)CSC 62a_100000730141_200000210301 [0,2,0,0,0,0|1,0,0]=3 366 B6R0.1 C=CC(O)CSC 62a_200000210301_100000730141 [0,2,0,0,0,0|1,0,0]=3 367 B6R0.1 C=CC(O)CS[13CH3] 62a_100000730141_200025704644 [0,2,0,0,0,0|1,0,0]=3 368 B6R0.1 C=CC(O)CS[13CH3] 62a_200025704644_100000730141 [0,2,0,0,0,0|1,0,0]=3 369 B6R0.1 C=CC[C@@H](C)OC 34a_100000731007_200000210301 [0,2,0,0,0,0|1,0,0]=3 370 B6R0.1 C=CC[C@@H](C)OC 7a_100000731007_200000210301 [0,2,0,0,0,0|1,0,0]=3 371 B6R0.1 C=CC[C@@H](C)O[13CH3] 34a_100000731007_200025704644 [0,2,0,0,0,0|1,0,0]=3 372 B6R0.1 C=CC[C@@H](C)O[13CH3] 7a_100000731007_200025704644 [0,2,0,0,0,0|1,0,0]=3 373 B6R0.1 C=C[C@H](N)COC 34a_100016989147_200000210301 [0,2,0,0,0,0|2,0,0]=4 374 B6R0.1 C=C[C@H](N)CO[13CH3] 34a_100016989147_200025704644 [0,2,0,0,0,0|2,0,0]=4 375 B6R0.1 CC#CC(C)OC 34a_100011216543_200000210301 [0,2,0,0,0,0|1,0,1]=4 376 B6R0.1 CC#CC(C)O[13CH3] 34a_100011216543_200025704644 [0,2,0,0,0,0|1,0,1]=4 377 B6R0.1 CC(C#N)OCF 34a_100011218135_100015361967 [0,2,0,0,0,0|1,0,1]=4 378 B6R0.1 CC(CCBr)O[13CH3] 34a_100012276601_200025704644 [0,2,0,0,0,0|1,0,1]=4 379 B6R0.1 CC(CCO)S[13CH3] 62a_100009893172_200025704644 [0,2,0,0,0,0|2,0,0]=4 380 B6R0.1 CC(CCO)S[13CH3] 62a_200025704644_100009893172 [0,2,0,0,0,0|2,0,0]=4 381 B6R0.1 CC(CF)OCF 34a_100016041109_100015361967 [0,2,0,0,0,0|1,0,1]=4 382 B6R0.1 CC(CF)OCF 7a_100016041109_100015361967 [0,2,0,0,0,0|1,0,1]=4 383 B6R0.1 CC(CN)CO[13CH3] 34a_100000744482_200025704644 [0,2,0,0,0,0|1,0,1]=4 384 B6R0.1 CC(CN)OCF 34a_100000210904_100015361967 [0,2,0,0,0,0|1,0,1]=4 385 B6R0.1 CC(CO)CN[13CH3] 34a_100000744482_200025704644 [0,2,0,0,0,0|1,0,1]=4 386 B6R0.1 CC(CO)SCF 62a_100012180447_100015361967 [0,2,0,0,0,0|1,0,1]=4 387 B6R0.1 CCC(C)COC 34a_100138415774_100000748023 [0,2,0,0,0,0|1,0,1]=4 388 B6R0.1 CCC(C)OCF 7a_100000210228_100015361967 [0,2,0,0,0,0|1,0,1]=4 389 B6R0.1 CCC(O)CNC 2230a_100011218483_200000210301 [0,2,0,0,0,0|1,0,1]=4 390 B6R0.1 CCC(O)CNC 2230a_106832991635_100011218378 [0,2,0,0,0,0|1,0,1]=4 391 B6R0.1 CCC(O)CNC 34a_100102657272_100011218378 [0,2,0,0,0,0|1,0,1]=4 392 B6R0.1 CCC(O)CNC 7a_106832991635_100011218378 [0,2,0,0,0,0|1,0,1]=4 393 B6R0.1 CCC(O)CN[13CH3] 2230a_100011218483_200025704644 [0,2,0,0,0,0|1,0,1]=4 394 B6R0.1 CCC(O)COC 34a_100138415774_100011218378 [0,2,0,0,0,0|0,0,2]=4 395 B6R0.1 CCC(O)CSC 62a_100011218378_200000210301 [0,2,0,0,0,0|0,1,1]=4 396 B6R0.1 CCC(O)CSC 62a_200000210301_100011218378 [0,2,0,0,0,0|0,1,1]=4 397 B6R0.1 CCC(O)CS[13CH3] 62a_100011218378_200025704644 [0,2,0,0,0,0|0,1,1]=4 398 B6R0.1 CCC(O)CS[13CH3] 62a_200025704644_100011218378 [0,2,0,0,0,0|0,1,1]=4 399 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [0,2,0,0,0,0|1,0,1]=4 400 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [0,2,0,0,0,0|1,0,1]=4 401 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [0,2,0,0,0,0|1,0,1]=4 402 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [0,2,0,0,0,0|1,0,1]=4 403 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [0,2,0,0,0,0|1,0,1]=4 404 B6R0.1 CCN(C)CC=O 2230a_100000225621_200015260668 [0,2,0,0,0,0|2,0,0]=4 405 B6R0.1 CCN(C)CC=O 269982a_100000225621_200015260668 [0,2,0,0,0,0|2,0,0]=4 406 B6R0.1 CCNC(C)CO 2230a_100015525214_100012180447 [0,2,0,0,0,0|1,0,1]=4 407 B6R0.1 CCN[C@H](C)CO 2230a_100000737577_100000210202 [0,2,0,0,0,0|1,0,1]=4 408 B6R0.1 CCOC(C)C#N 34a_100011218135_100000210202 [0,2,0,0,0,0|1,0,1]=4 409 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [0,2,0,0,0,0|1,0,1]=4 410 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [0,2,0,0,0,0|1,0,1]=4 411 B6R0.1 CCOC(C)CF 34a_100016041109_100000210202 [0,2,0,0,0,0|1,0,1]=4 412 B6R0.1 CCOC(C)CF 7a_100016041109_100000210202 [0,2,0,0,0,0|1,0,1]=4 413 B6R0.1 CCOC(C)CN 34a_100000210904_100000210202 [0,2,0,0,0,0|1,0,1]=4 414 B6R0.1 CCOC(C)CO 34a_100121572206_100012180447 [0,2,0,0,0,0|0,0,2]=4 415 B6R0.1 CCSC(C)CO 62a_100012180447_100000210202 [0,2,0,0,0,0|1,0,1]=4 416 B6R0.1 CCSC(C)OC 62a_100000210202_100009879195 [0,2,0,0,0,0|1,0,1]=4 417 B6R0.1 CCSC(C)OC 62a_100009879195_100000210202 [0,2,0,0,0,0|1,0,1]=4 418 B6R0.1 CCS[C@H](C)CO 62a_100000210202_100016084084 [0,2,0,0,0,0|1,0,1]=4 419 B6R0.1 CCS[C@H](C)CO 62a_100016084084_100000210202 [0,2,0,0,0,0|1,0,1]=4 420 B6R0.1 CC[C@H](C)COC 34a_100138415774_100009816398 [0,2,0,0,0,0|1,0,1]=4 421 B6R0.1 CC[C@H](C)COC 7a_100009816381_200000210301 [0,2,0,0,0,0|1,0,1]=4 422 B6R0.1 CC[C@H](C)CO[13CH3] 7a_100009816381_200025704644 [0,2,0,0,0,0|1,0,1]=4 423 B6R0.1 CNC(C)CCO 2230a_106832991635_100009893172 [0,2,0,0,0,0|2,0,0]=4 424 B6R0.1 CNC(C)CCO 34a_100102657272_100009893172 [0,2,0,0,0,0|2,0,0]=4 425 B6R0.1 CNC(C)CCO 7a_106832991635_100009893172 [0,2,0,0,0,0|2,0,0]=4 426 B6R0.1 CNC(C)COC 2230a_106832991635_100000765312 [0,2,0,0,0,0|2,0,0]=4 427 B6R0.1 CNC(C)COC 270004a_106832991635_100000749346 [0,2,0,0,0,0|2,0,0]=4 428 B6R0.1 CNC(C)COC 34a_100102657272_100000765312 [0,2,0,0,0,0|2,0,0]=4 429 B6R0.1 CNC(C)COC 7a_106832991635_100000765312 [0,2,0,0,0,0|2,0,0]=4 430 B6R0.1 CNCC(C)CO 34a_100000744482_200000210301 [0,2,0,0,0,0|1,0,1]=4 431 B6R0.1 CNCC(O)CO 2230a_106832991635_100011219619 [0,2,0,0,0,0|0,0,2]=4 432 B6R0.1 CNCC(O)CO 34a_100102657272_100011219619 [0,2,0,0,0,0|0,0,2]=4 433 B6R0.1 CNCC(O)CO 7a_106832991635_100011219619 [0,2,0,0,0,0|0,0,2]=4 434 B6R0.1 CNC[C@@H](C)CO 2230a_106832991635_100000059175 [0,2,0,0,0,0|1,0,1]=4 435 B6R0.1 CNC[C@@H](C)CO 34a_100102657272_100000059175 [0,2,0,0,0,0|1,0,1]=4 436 B6R0.1 CNC[C@@H](C)CO 7a_106832991635_100000059175 [0,2,0,0,0,0|1,0,1]=4 437 B6R0.1 CNC[C@@H](C)OC 2230a_100020591295_200000210301 [0,2,0,0,0,0|1,0,1]=4 438 B6R0.1 CNC[C@@H](O)CF 2230a_106832991635_100015614560 [0,2,0,0,0,0|1,0,1]=4 439 B6R0.1 CNC[C@@H](O)CF 34a_100102657272_100015614560 [0,2,0,0,0,0|1,0,1]=4 440 B6R0.1 CNC[C@@H](O)CF 7a_106832991635_100015614560 [0,2,0,0,0,0|1,0,1]=4 441 B6R0.1 CNC[C@@H](O)CO 2230a_106832991635_100009815848 [0,2,0,0,0,0|0,0,2]=4 442 B6R0.1 CNC[C@@H](O)CO 34a_100102657272_100009815848 [0,2,0,0,0,0|0,0,2]=4 443 B6R0.1 CNC[C@@H](O)CO 7a_106832991635_100009815848 [0,2,0,0,0,0|0,0,2]=4 444 B6R0.1 CNC[C@H](O)CO 2230a_100020644852_200000210301 [0,2,0,0,0,0|0,0,2]=4 445 B6R0.1 CN[C@H](C)CCO 2230a_100000706166_200000210301 [0,2,0,0,0,0|2,0,0]=4 446 B6R0.1 CN[C@H](C)CCO 34a_100000706166_200000210301 [0,2,0,0,0,0|2,0,0]=4 447 B6R0.1 CN[C@H](C)COC 2230a_100000764878_200000210301 [0,2,0,0,0,0|2,0,0]=4 448 B6R0.1 COC(C)CCBr 34a_100012276601_200000210301 [0,2,0,0,0,0|1,0,1]=4 449 B6R0.1 COC(C)CCO 34a_100138415774_100009893172 [0,2,0,0,0,0|0,0,2]=4 450 B6R0.1 COC(C)CO[13CH3] 34a_100000690652_200025704644 [0,2,0,0,0,0|0,0,2]=4 451 B6R0.1 COC(C)SCF 62a_100009879195_100015361967 [0,2,0,0,0,0|1,0,1]=4 452 B6R0.1 COC(C)SCF 62a_100015361967_100009879195 [0,2,0,0,0,0|1,0,1]=4 453 B6R0.1 COCC(C)CN 34a_100000744482_200000210301 [0,2,0,0,0,0|1,0,1]=4 454 B6R0.1 COCC(C)OC 34a_100000690652_200000210301 [0,2,0,0,0,0|0,0,2]=4 455 B6R0.1 COCC(C)OC 34a_100138415774_100000765312 [0,2,0,0,0,0|0,0,2]=4 456 B6R0.1 COCC(C)SC 62a_100000765312_200000210301 [0,2,0,0,0,0|2,0,0]=4 457 B6R0.1 COCC(C)SC 62a_200000210301_100000765312 [0,2,0,0,0,0|2,0,0]=4 458 B6R0.1 COCC(C)S[13CH3] 62a_100000765312_200025704644 [0,2,0,0,0,0|2,0,0]=4 459 B6R0.1 COCC(C)S[13CH3] 62a_200025704644_100000765312 [0,2,0,0,0,0|2,0,0]=4 460 B6R0.1 COCC(O)CO 34a_100138415774_100011219619 [0,2,0,0,0,0|0,0,2]=4 461 B6R0.1 COC[C@@H](C)CO 34a_100138415774_100000059175 [0,2,0,0,0,0|0,0,2]=4 462 B6R0.1 COC[C@@H](C)N[13CH3] 2230a_100000764878_200025704644 [0,2,0,0,0,0|2,0,0]=4 463 B6R0.1 COC[C@@H](C)OC 34a_100011934205_200000210301 [0,2,0,0,0,0|0,0,2]=4 464 B6R0.1 COC[C@@H](C)O[13CH3] 34a_100011934205_200025704644 [0,2,0,0,0,0|0,0,2]=4 465 B6R0.1 COC[C@@H](O)CF 34a_100138415774_100015614560 [0,2,0,0,0,0|0,0,2]=4 466 B6R0.1 COC[C@@H](O)CO 34a_100138415774_100009815848 [0,2,0,0,0,0|0,0,2]=4 467 B6R0.1 CO[C@H](C)CN[13CH3] 2230a_100020591295_200025704644 [0,2,0,0,0,0|1,0,1]=4 468 B6R0.1 CSC(C)CCO 62a_100009893172_200000210301 [0,2,0,0,0,0|2,0,0]=4 469 B6R0.1 CSC(C)CCO 62a_200000210301_100009893172 [0,2,0,0,0,0|2,0,0]=4 470 B6R0.1 CSCC(O)CO 62a_100011219619_200000210301 [0,2,0,0,0,0|0,0,2]=4 471 B6R0.1 CSCC(O)CO 62a_200000210301_100011219619 [0,2,0,0,0,0|0,0,2]=4 472 B6R0.1 CSC[C@@H](C)CO 62a_100000059175_200000210301 [0,2,0,0,0,0|0,1,1]=4 473 B6R0.1 CSC[C@@H](C)CO 62a_200000210301_100000059175 [0,2,0,0,0,0|0,1,1]=4 474 B6R0.1 CSC[C@@H](O)CF 62a_100015614560_200000210301 [0,2,0,0,0,0|0,1,1]=4 475 B6R0.1 CSC[C@@H](O)CF 62a_200000210301_100015614560 [0,2,0,0,0,0|0,1,1]=4 476 B6R0.1 CSC[C@@H](O)CO 62a_100009815848_200000210301 [0,2,0,0,0,0|0,0,2]=4 477 B6R0.1 CSC[C@@H](O)CO 62a_200000210301_100009815848 [0,2,0,0,0,0|0,0,2]=4 478 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_100000059175_200025704644 [0,2,0,0,0,0|0,1,1]=4 479 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_200025704644_100000059175 [0,2,0,0,0,0|0,1,1]=4 480 B6R0.1 C[C@H](CCO)N[13CH3] 2230a_100000706166_200025704644 [0,2,0,0,0,0|2,0,0]=4 481 B6R0.1 C[C@H](CCO)N[13CH3] 34a_100000706166_200025704644 [0,2,0,0,0,0|2,0,0]=4 482 B6R0.1 C[C@H](CO)SCF 62a_100015361967_100016084084 [0,2,0,0,0,0|1,0,1]=4 483 B6R0.1 C[C@H](CO)SCF 62a_100016084084_100015361967 [0,2,0,0,0,0|1,0,1]=4 484 B6R0.1 [13CH3]NC[C@H](O)CO 2230a_100020644852_200025704644 [0,2,0,0,0,0|0,0,2]=4 485 B6R0.1 [13CH3]SCC(O)CO 62a_100011219619_200025704644 [0,2,0,0,0,0|0,0,2]=4 486 B6R0.1 [13CH3]SCC(O)CO 62a_200025704644_100011219619 [0,2,0,0,0,0|0,0,2]=4 487 B6R0.1 [13CH3]SC[C@@H](O)CF 62a_100015614560_200025704644 [0,2,0,0,0,0|0,1,1]=4 488 B6R0.1 [13CH3]SC[C@@H](O)CF 62a_200025704644_100015614560 [0,2,0,0,0,0|0,1,1]=4 489 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_100009815848_200025704644 [0,2,0,0,0,0|0,0,2]=4 490 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_200025704644_100009815848 [0,2,0,0,0,0|0,0,2]=4 491 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [0,2,0,0,0,0|1,0,1]=4 492 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [0,2,0,0,0,0|1,0,1]=4 493 B6R0.2 CC(=CC(=O)[13CH3])Cl 1458a_200042562850_200025704644 [0,2,0,0,0,0|1,0,1]=4 494 B6R0.2 CC(=CC(=O)[13CH3])I 1458a_100025716642_200025704644 [0,2,0,0,0,0|1,0,1]=4 495 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [0,2,0,0,0,0|1,0,1]=4 496 B6R0.2 CC(=O)C=C(C)Cl 1458a_200042562850_200000210301 [0,2,0,0,0,0|1,0,1]=4 497 B6R0.2 CC(=O)C=C(C)I 1458a_100025716642_200000210301 [0,2,0,0,0,0|1,0,1]=4 498 B6R0.2 CC(=O)CC(=O)N 1458a_100000070787_100000187820 [0,2,0,0,0,0|0,0,2]=4 499 B6R0.2 CC(=O)CC(=O)N 1458a_100134613110_200000210301 [0,2,0,0,0,0|0,0,2]=4 500 B6R0.2 CC(=O)CC(=O)[O-] 1458a_100000070787_100020667443 [0,2,0,0,0,0|0,0,2]=4 501 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [0,2,0,0,0,0|1,0,0]=3 502 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [0,2,0,0,0,0|1,0,0]=3 503 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [0,2,0,0,0,0|0,0,0]=2 504 B6R0.2 CC(=O)CC(F)F 1458a_100000070787_100011934356 [0,2,0,0,0,0|2,0,0]=4 505 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [0,2,0,0,0,0|2,0,0]=4 506 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [0,2,0,0,0,0|0,0,0]=2 507 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [0,2,0,0,0,0|2,0,0]=4 508 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [0,2,0,0,0,0|1,0,0]=3 509 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [0,2,0,0,0,0|1,0,0]=3 510 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [0,2,0,0,0,0|1,0,0]=3 511 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [0,2,0,0,0,0|1,0,0]=3 512 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [0,2,0,0,0,0|1,0,0]=3 513 B6R0.2 CC(O)CN(C)C 2230a_100000227577_200000210301 [0,2,0,0,0,0|1,0,1]=4 514 B6R0.2 CC(O)CN(C)C 2230a_100102631434_100011218427 [0,2,0,0,0,0|1,0,1]=4 515 B6R0.2 CC(O)CN(C)C 269982a_100000227577_200000210301 [0,2,0,0,0,0|1,0,1]=4 516 B6R0.2 CC(O)CN(C)C 269982a_100102631434_100011218427 [0,2,0,0,0,0|1,0,1]=4 517 B6R0.2 CC(O)CN(C)[13CH3] 2230a_100000227577_200025704644 [0,2,0,0,0,0|1,0,1]=4 518 B6R0.2 CC(O)CN(C)[13CH3] 269982a_100000227577_200025704644 [0,2,0,0,0,0|1,0,1]=4 519 B6R0.2 CN(C)CC(=O)N 2230a_100000739694_200000210301 [0,2,0,0,0,0|2,0,0]=4 520 B6R0.2 CN(C)CC(=O)N 2230a_100102631434_100000747473 [0,2,0,0,0,0|2,0,0]=4 521 B6R0.2 CN(C)CC(=O)N 269982a_100102631434_100000187820 [0,2,0,0,0,0|2,0,0]=4 522 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [0,2,0,0,0,0|2,0,0]=4 523 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [0,2,0,0,0,0|2,0,0]=4 524 B6R0.2 CN(C)CC(=O)[O-] 269982a_100102631434_100020667443 [0,2,0,0,0,0|2,0,0]=4 525 B6R0.2 CN([13CH3])CC(=O)N 2230a_100000739694_200025704644 [0,2,0,0,0,0|2,0,0]=4 526 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [0,2,0,0,0,0|2,0,0]=4 527 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [0,2,0,0,0,0|0,0,0]=2 528 B6R0.2 C[C@@H](O)CN(C)C 2230a_100102631434_100009817552 [0,2,0,0,0,0|1,0,1]=4 529 B6R0.2 C[C@@H](O)CN(C)C 269982a_100102631434_100009817552 [0,2,0,0,0,0|1,0,1]=4 530 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [0,2,0,0,0,0|2,0,0]=4 531 B6R0.2 [13CH3]C(=O)CC(=O)N 1458a_100134613110_200025704644 [0,2,0,0,0,0|0,0,2]=4 532 B6R0.3 C#CC(=O)C(C)C 1458a_100000211873_100000210206 [0,2,0,0,0,0|1,0,0]=3 533 B6R0.3 C#CC(C)C(=O)C 1458a_100000070787_200000035995 [0,2,0,0,0,0|1,0,0]=3 534 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [0,2,0,0,0,0|1,0,1]=4 535 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [0,2,0,0,0,0|1,0,1]=4 536 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [0,2,0,0,0,0|1,0,1]=4 537 B6R0.3 C=C(C)C(=O)CF 1458a_100000185857_100015361967 [0,2,0,0,0,0|1,0,1]=4 538 B6R0.3 C=C(C)C(=O)NC 11a_106832991635_100000185857 [0,2,0,0,0,0|1,0,1]=4 539 B6R0.3 C=C(C)C(=O)NC 1626a_100102657272_100000185857 [0,2,0,0,0,0|1,0,1]=4 540 B6R0.3 C=C(C)C(C)NC 269862a_106832991636_100011216138 [0,2,0,0,0,0|2,0,0]=4 541 B6R0.3 C=CC(=O)C(C)C 1458a_100000185746_100000210206 [0,2,0,0,0,0|1,0,0]=3 542 B6R0.3 C=CC(=O)N(C)C 1626a_100102631434_100000185746 [0,2,0,0,0,0|2,0,0]=4 543 B6R0.3 C=CC(=O)N(C)C 240690a_100102631434_200121576911 [0,2,0,0,0,0|2,0,0]=4 544 B6R0.3 C=CC(C)C(=O)C 1458a_100011216780_200000210301 [0,2,0,0,0,0|1,0,0]=3 545 B6R0.3 C=CC(C)C(=O)[13CH3] 1458a_100011216780_200025704644 [0,2,0,0,0,0|1,0,0]=3 546 B6R0.3 C=CC(C)N(C)C 269982a_100102631434_100011215867 [0,2,0,0,0,0|2,0,0]=4 547 B6R0.3 CC(=O)C(C)C#N 1458a_100000070787_100000703298 [0,2,0,0,0,0|1,0,0]=3 548 B6R0.3 CC(=O)C(C)C#N 1458a_100000753662_200000210301 [0,2,0,0,0,0|1,0,0]=3 549 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [0,2,0,0,0,0|0,0,0]=2 550 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [0,2,0,0,0,0|0,1,0]=3 551 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [0,2,0,0,0,0|0,1,0]=3 552 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [0,2,0,0,0,0|0,0,0]=2 553 B6R0.3 CC(C#N)C(=O)[13CH3] 1458a_100000753662_200025704644 [0,2,0,0,0,0|1,0,0]=3 554 B6R0.3 CC(C)C(=O)CF 1458a_100000210198_100015361967 [0,2,0,0,0,0|1,0,0]=3 555 B6R0.3 CC(C)C(=O)CO 1458a_100000210174_100000210206 [0,2,0,0,0,0|1,0,0]=3 556 B6R0.3 CC(C)C(C)O[13CH3] 7a_100000748068_200025704644 [0,2,0,0,0,0|1,0,1]=4 557 B6R0.3 CC(CO)N(C)C 2230a_100000693034_200000210301 [0,2,0,0,0,0|2,0,0]=4 558 B6R0.3 CC(CO)N(C)C 2230a_100102631434_100012180447 [0,2,0,0,0,0|2,0,0]=4 559 B6R0.3 CC(CO)N(C)C 269982a_100000693034_200000210301 [0,2,0,0,0,0|2,0,0]=4 560 B6R0.3 CC(CO)N(C)[13CH3] 2230a_100000693034_200025704644 [0,2,0,0,0,0|2,0,0]=4 561 B6R0.3 CC(CO)N(C)[13CH3] 269982a_100000693034_200025704644 [0,2,0,0,0,0|2,0,0]=4 562 B6R0.3 CC(F)C(=O)CF 1458a_100000062450_100015361967 [0,2,0,0,0,0|1,0,0]=3 563 B6R0.3 CC(S[13CH3])C(=O)N 62a_100000702099_200025704644 [0,2,0,0,0,0|0,1,0]=3 564 B6R0.3 CC(S[13CH3])C(=O)N 62a_200025704644_100000702099 [0,2,0,0,0,0|0,1,0]=3 565 B6R0.3 CCC(=O)C(C)C 1458a_100000210198_100000210202 [0,2,0,0,0,0|1,0,0]=3 566 B6R0.3 CCC(=O)C(C)C 1458a_100000210414_100000210206 [0,2,0,0,0,0|1,0,0]=3 567 B6R0.3 CCC(=O)C(C)F 1458a_100000062450_100000210202 [0,2,0,0,0,0|1,0,0]=3 568 B6R0.3 CCC(=O)C(O)O 1458a_100000233687_100000210202 [0,2,0,0,0,0|1,0,0]=3 569 B6R0.3 CCC(=O)N(C)C 11a_100102631434_100000210414 [0,2,0,0,0,0|2,0,0]=4 570 B6R0.3 CCC(=O)N(C)C 1626a_100102631434_100000210414 [0,2,0,0,0,0|2,0,0]=4 571 B6R0.3 CCC(=O)N(C)C 240690a_100102631434_100000210414 [0,2,0,0,0,0|2,0,0]=4 572 B6R0.3 CCC(=O)N(C)C 527a_100102631434_100000210414 [0,2,0,0,0,0|2,0,0]=4 573 B6R0.3 CCC(=O)[C@@H](C)O 1458a_100000717761_100000210202 [0,2,0,0,0,0|0,0,0]=2 574 B6R0.3 CCC(=O)[C@H](C)O 1458a_217856618621_100000210202 [0,2,0,0,0,0|0,0,0]=2 575 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [0,2,0,0,0,0|1,0,0]=3 576 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [0,2,0,0,0,0|1,0,0]=3 577 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [0,2,0,0,0,0|1,0,0]=3 578 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [0,2,0,0,0,0|0,0,0]=2 579 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [0,2,0,0,0,0|0,0,0]=2 580 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [0,2,0,0,0,0|2,0,0]=4 581 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [0,2,0,0,0,0|2,0,0]=4 582 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [0,2,0,0,0,0|2,0,0]=4 583 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [0,2,0,0,0,0|2,0,0]=4 584 B6R0.3 CN(C)C(=O)CO 240690a_100102631434_100000210174 [0,2,0,0,0,0|2,0,0]=4 585 B6R0.3 CN(C)C(=O)CO 527a_100102631434_100000210174 [0,2,0,0,0,0|2,0,0]=4 586 B6R0.3 CNC(=O)C(=O)C 1458a_100011218921_200000210301 [0,2,0,0,0,0|0,0,2]=4 587 B6R0.3 CNC(=O)C(=O)N 240690a_100102657272_100011215815 [0,2,0,0,0,0|0,0,2]=4 588 B6R0.3 CNC(=O)C(=O)[13CH3] 1458a_100011218921_200025704644 [0,2,0,0,0,0|0,0,2]=4 589 B6R0.3 CNC(=O)C(C)C 11a_106832991635_100000210198 [0,2,0,0,0,0|1,0,0]=3 590 B6R0.3 CNC(=O)C(C)C 1626a_100102657272_100000210198 [0,2,0,0,0,0|1,0,0]=3 591 B6R0.3 CNC(=O)C(C)C 240690a_100102657272_100000210198 [0,2,0,0,0,0|1,0,0]=3 592 B6R0.3 CNC(=O)C(C)C 527a_100102657272_100000210198 [0,2,0,0,0,0|1,0,0]=3 593 B6R0.3 CNC(=O)C(C)F 11a_106832991635_100000062450 [0,2,0,0,0,0|1,0,0]=3 594 B6R0.3 CNC(=O)C(C)F 1626a_100102657272_100000062450 [0,2,0,0,0,0|1,0,0]=3 595 B6R0.3 CNC(=O)C(C)F 240690a_100102657272_100000062450 [0,2,0,0,0,0|1,0,0]=3 596 B6R0.3 CNC(=O)C(C)F 527a_100102657272_100000062450 [0,2,0,0,0,0|1,0,0]=3 597 B6R0.3 CNC(=O)C(F)F 11a_106832991635_100000210393 [0,2,0,0,0,0|2,0,0]=4 598 B6R0.3 CNC(=O)C(F)F 1626a_100102657272_100000210393 [0,2,0,0,0,0|2,0,0]=4 599 B6R0.3 CNC(=O)C(F)F 240690a_100102657272_100000210393 [0,2,0,0,0,0|2,0,0]=4 600 B6R0.3 CNC(=O)C(F)F 527a_100102657272_100000210393 [0,2,0,0,0,0|2,0,0]=4 601 B6R0.3 CNC(=O)C(O)O 240690a_100102657272_100000233687 [0,2,0,0,0,0|1,0,0]=3 602 B6R0.3 CNC(=O)N(C)C 2708a_100102657272_100102631434 [0,2,0,0,0,0|2,0,0]=4 603 B6R0.3 CNC(=O)[C@@H](C)O 240690a_100102657272_100000717761 [0,2,0,0,0,0|0,0,0]=2 604 B6R0.3 CNC(=O)[C@H](C)O 1626a_100102657272_217856618621 [0,2,0,0,0,0|0,0,0]=2 605 B6R0.3 CNC(=O)[C@H](C)O 240690a_100102657272_217856618621 [0,2,0,0,0,0|0,0,0]=2 606 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [0,2,0,0,0,0|1,0,0]=3 607 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [0,2,0,0,0,0|1,0,0]=3 608 B6R0.3 CNC(C)C(=O)N 2230a_106832991635_100000702099 [0,2,0,0,0,0|1,0,0]=3 609 B6R0.3 CNC(C)C(=O)N 34a_100102657272_100000702099 [0,2,0,0,0,0|1,0,0]=3 610 B6R0.3 CNC(C)C(=O)N 7a_106832991635_100000702099 [0,2,0,0,0,0|1,0,0]=3 611 B6R0.3 CNC(F)C(=O)N 2230a_106832991635_100009813875 [0,2,0,0,0,0|1,0,0]=3 612 B6R0.3 CNC(F)C(=O)N 34a_100102657272_100009813875 [0,2,0,0,0,0|1,0,0]=3 613 B6R0.3 CNC(F)C(=O)N 7a_106832991635_100009813875 [0,2,0,0,0,0|1,0,0]=3 614 B6R0.3 CNC(F)C(=O)[O-] 34a_100102657272_100020610796 [0,2,0,0,0,0|1,0,0]=3 615 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [0,2,0,0,0,0|1,0,0]=3 616 B6R0.3 CN[C@H](C)C(=O)N 2230a_100000119354_200000210301 [0,2,0,0,0,0|1,0,0]=3 617 B6R0.3 CN[C@H](C)C(=O)N 34a_100000119354_200000210301 [0,2,0,0,0,0|1,0,0]=3 618 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [0,2,0,0,0,0|0,0,0]=2 619 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [0,2,0,0,0,0|0,0,0]=2 620 B6R0.3 COC(C)C(=O)N 34a_100138415774_100000702099 [0,2,0,0,0,0|0,0,0]=2 621 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [0,2,0,0,0,0|0,0,0]=2 622 B6R0.3 COC(C)C(C)C 7a_100000748068_200000210301 [0,2,0,0,0,0|1,0,1]=4 623 B6R0.3 COC(C)N(C)C 269982a_100102631434_100009879195 [0,2,0,0,0,0|2,0,0]=4 624 B6R0.3 COC(F)C(=O)N 34a_100138415774_100009813875 [0,2,0,0,0,0|1,0,0]=3 625 B6R0.3 COC(F)C(=O)[O-] 34a_100138415774_100020610796 [0,2,0,0,0,0|1,0,0]=3 626 B6R0.3 CO[C@@H](C)C(=O)[O-] 7a_217856618621_200000210301 [0,2,0,0,0,0|0,0,0]=2 627 B6R0.3 CO[C@H](C)C(=O)N 34a_100000731257_200000210301 [0,2,0,0,0,0|0,0,0]=2 628 B6R0.3 CO[C@H](C)C(=O)N 7a_100000731257_200000210301 [0,2,0,0,0,0|0,0,0]=2 629 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [0,2,0,0,0,0|0,1,0]=3 630 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [0,2,0,0,0,0|0,1,0]=3 631 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [0,2,0,0,0,0|0,1,0]=3 632 B6R0.3 CSC(C)C(=O)N 62a_100000702099_200000210301 [0,2,0,0,0,0|0,1,0]=3 633 B6R0.3 CSC(C)C(=O)N 62a_200000210301_100000702099 [0,2,0,0,0,0|0,1,0]=3 634 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [0,2,0,0,0,0|0,1,0]=3 635 B6R0.3 CSC(F)C(=O)N 62a_100009813875_200000210301 [0,2,0,0,0,0|1,0,0]=3 636 B6R0.3 CSC(F)C(=O)N 62a_200000210301_100009813875 [0,2,0,0,0,0|1,0,0]=3 637 B6R0.3 CSC(F)C(=O)[O-] 62a_100020610796_200000210301 [0,2,0,0,0,0|1,0,0]=3 638 B6R0.3 CSC(F)C(=O)[O-] 62a_200000210301_100020610796 [0,2,0,0,0,0|1,0,0]=3 639 B6R0.3 C[C@@H](N[13CH3])C(=O)N 2230a_100000119354_200025704644 [0,2,0,0,0,0|1,0,0]=3 640 B6R0.3 C[C@@H](N[13CH3])C(=O)N 34a_100000119354_200025704644 [0,2,0,0,0,0|1,0,0]=3 641 B6R0.3 C[C@@H](O)C(=O)CF 1458a_100000717761_100015361967 [0,2,0,0,0,0|0,0,0]=2 642 B6R0.3 C[C@@H](O[13CH3])C(=O)N 34a_100000731257_200025704644 [0,2,0,0,0,0|0,0,0]=2 643 B6R0.3 C[C@@H](O[13CH3])C(=O)N 7a_100000731257_200025704644 [0,2,0,0,0,0|0,0,0]=2 644 B6R0.3 C[C@H](CO)N(C)C 269982a_100102631434_100016084084 [0,2,0,0,0,0|2,0,0]=4 645 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [0,2,0,0,0,0|1,0,0]=3 646 B6R0.3 C[C@H](O)C(=O)CF 1458a_217856618621_100015361967 [0,2,0,0,0,0|0,0,0]=2 647 B6R0.3 C[C@H](O[13CH3])C(=O)[O-] 7a_217856618621_200025704644 [0,2,0,0,0,0|0,0,0]=2 648 B6R0.3 O=C(CF)C(O)O 1458a_100000233687_100015361967 [0,2,0,0,0,0|1,0,0]=3 649 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [0,2,0,0,0,0|0,0,0]=2 650 B6R0.3 [13CH3]SC(F)C(=O)N 62a_100009813875_200025704644 [0,2,0,0,0,0|1,0,0]=3 651 B6R0.3 [13CH3]SC(F)C(=O)N 62a_200025704644_100009813875 [0,2,0,0,0,0|1,0,0]=3 652 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_100020610796_200025704644 [0,2,0,0,0,0|1,0,0]=3 653 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_200025704644_100020610796 [0,2,0,0,0,0|1,0,0]=3 654 B6R0.4 C=CCNC(C)C 2230a_100020586998_100000210206 [0,2,0,0,0,0|2,0,0]=4 655 B6R0.4 C=CCNC(C)C 2230a_100138425928_100000210623 [0,2,0,0,0,0|2,0,0]=4 656 B6R0.4 C=CCNC(C)C 34a_100138425928_100015514636 [0,2,0,0,0,0|2,0,0]=4 657 B6R0.4 C=CCOC(C)C 34a_100000212225_100015514636 [0,2,0,0,0,0|2,0,0]=4 658 B6R0.4 C=CCOC(C)C 34a_200000210373_100000210206 [0,2,0,0,0,0|2,0,0]=4 659 B6R0.4 C=CCSC(C)C 62a_100000210206_100000210623 [0,2,0,0,0,0|2,0,0]=4 660 B6R0.4 C=CCSC(C)C 62a_100000210623_100000210206 [0,2,0,0,0,0|2,0,0]=4 661 B6R0.4 CC(C)NCC=O 2230a_100138425928_200015260668 [0,2,0,0,0,0|1,0,0]=3 662 B6R0.4 CC(C)NCC=O 34a_100138425928_200009817547 [0,2,0,0,0,0|1,0,0]=3 663 B6R0.4 CC(C)OCC=O 34a_100000212225_200009817547 [0,2,0,0,0,0|1,0,0]=3 664 B6R0.4 CC(C)SCC=O 62a_100000210206_200015260668 [0,2,0,0,0,0|1,0,0]=3 665 B6R0.4 CC(C)SCC=O 62a_200015260668_100000210206 [0,2,0,0,0,0|1,0,0]=3 666 B6R0.4 CC(O)CCN[13CH3] 2230a_200000755665_200025704644 [0,2,0,0,0,0|1,0,1]=4 667 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [0,2,0,0,0,0|0,1,1]=4 668 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [0,2,0,0,0,0|0,1,1]=4 669 B6R0.4 CC(O)CNCF 34a_100000210904_100015361967 [0,2,0,0,0,0|1,0,1]=4 670 B6R0.4 CC(O)CSCF 62a_100011218427_100015361967 [0,2,0,0,0,0|0,1,1]=4 671 B6R0.4 CC(O)CSCF 62a_100015361967_100011218427 [0,2,0,0,0,0|0,1,1]=4 672 B6R0.4 CC=NNC(C)C 4a_100000741168_200000210099 [0,2,0,0,0,0|2,0,0]=4 673 B6R0.4 CCNCC(C)O 2230a_100000210904_100000210202 [0,2,0,0,0,0|1,0,1]=4 674 B6R0.4 CCNCC(C)O 2230a_100015525214_100011218427 [0,2,0,0,0,0|1,0,1]=4 675 B6R0.4 CCNCC(C)O 34a_100000210904_100000210202 [0,2,0,0,0,0|1,0,1]=4 676 B6R0.4 CCNC[C@@H](C)O 2230a_100015525214_100009817552 [0,2,0,0,0,0|1,0,1]=4 677 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [0,2,0,0,0,0|0,0,2]=4 678 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [0,2,0,0,0,0|0,0,2]=4 679 B6R0.4 CCSCC(C)O 62a_100000210202_100011218427 [0,2,0,0,0,0|0,1,1]=4 680 B6R0.4 CCSCC(C)O 62a_100011218427_100000210202 [0,2,0,0,0,0|0,1,1]=4 681 B6R0.4 CCSC[C@@H](C)O 62a_100000210202_100009817552 [0,2,0,0,0,0|0,1,1]=4 682 B6R0.4 CCSC[C@@H](C)O 62a_100009817552_100000210202 [0,2,0,0,0,0|0,1,1]=4 683 B6R0.4 CNCCC(C)O 2230a_106832991635_100012276601 [0,2,0,0,0,0|1,0,1]=4 684 B6R0.4 CNCCC(C)O 2230a_200000755665_200000210301 [0,2,0,0,0,0|1,0,1]=4 685 B6R0.4 CNCCC(C)O 34a_100102657272_100012276601 [0,2,0,0,0,0|1,0,1]=4 686 B6R0.4 CNCCC(C)O 7a_106832991635_100012276601 [0,2,0,0,0,0|1,0,1]=4 687 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [0,2,0,0,0,0|0,0,2]=4 688 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [0,2,0,0,0,0|0,1,1]=4 689 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [0,2,0,0,0,0|0,1,1]=4 690 B6R0.4 C[C@@H](O)CSCF 62a_100009817552_100015361967 [0,2,0,0,0,0|0,1,1]=4 691 B6R0.4 C[C@@H](O)CSCF 62a_100015361967_100009817552 [0,2,0,0,0,0|0,1,1]=4 692 B6R0.5 CC(C)(O)CN[13CH3] 2230a_100000751335_200025704644 [0,2,0,0,0,0|1,0,1]=4 693 B6R0.5 CC(C)(O)CS[13CH3] 62a_100000764493_200025704644 [0,2,0,0,0,0|0,1,1]=4 694 B6R0.5 CC(C)(O)CS[13CH3] 62a_200025704644_100000764493 [0,2,0,0,0,0|0,1,1]=4 695 B6R0.5 CNCC(C)(C)O 2230a_100000751335_200000210301 [0,2,0,0,0,0|1,0,1]=4 696 B6R0.5 CNCC(C)(C)O 34a_100102657272_100000764493 [0,2,0,0,0,0|1,0,1]=4 697 B6R0.5 CNCC(C)(C)O 7a_106832991635_100000764493 [0,2,0,0,0,0|1,0,1]=4 698 B6R0.5 COCC(C)(C)O 34a_100138415774_100000764493 [0,2,0,0,0,0|0,0,2]=4 699 B6R0.5 CSCC(C)(C)O 62a_100000764493_200000210301 [0,2,0,0,0,0|0,1,1]=4 700 B6R0.5 CSCC(C)(C)O 62a_200000210301_100000764493 [0,2,0,0,0,0|0,1,1]=4 701 B6R0.8 C#CC(C)(C)OC 34a_100000189450_200000210301 [0,2,0,0,0,0|1,0,1]=4 702 B6R0.8 C#CC(C)(C)OC 34a_100138415774_100000038118 [0,2,0,0,0,0|1,0,1]=4 703 B6R0.8 C#CC(C)(C)OC 7a_100000189450_200000210301 [0,2,0,0,0,0|1,0,1]=4 704 B6R0.8 C#CC(C)(C)O[13CH3] 34a_100000189450_200025704644 [0,2,0,0,0,0|1,0,1]=4 705 B6R0.8 C#CC(C)(C)O[13CH3] 7a_100000189450_200025704644 [0,2,0,0,0,0|1,0,1]=4 706 B6R0.8 C=CC(C)(C)OC 34a_100011215311_200000210301 [0,2,0,0,0,0|1,0,0]=3 707 B6R0.8 C=CC(C)(C)OC 7a_100011215311_200000210301 [0,2,0,0,0,0|1,0,0]=3 708 B6R0.8 C=CC(C)(C)O[13CH3] 34a_100011215311_200025704644 [0,2,0,0,0,0|1,0,0]=3 709 B6R0.8 C=CC(C)(C)O[13CH3] 7a_100011215311_200025704644 [0,2,0,0,0,0|1,0,0]=3 710 B6R0.8 C=CC(F)(F)SC 62a_100009814244_200000210301 [0,2,0,0,0,0|2,0,0]=4 711 B6R0.8 C=CC(F)(F)SC 62a_200000210301_100009814244 [0,2,0,0,0,0|2,0,0]=4 712 B6R0.8 C=CC(F)(F)S[13CH3] 62a_100009814244_200025704644 [0,2,0,0,0,0|2,0,0]=4 713 B6R0.8 C=CC(F)(F)S[13CH3] 62a_200025704644_100009814244 [0,2,0,0,0,0|2,0,0]=4 714 B6R0.8 CC(C)(C#N)O[13CH3] 34a_200015195151_200025704644 [0,2,0,0,0,0|1,0,1]=4 715 B6R0.8 CC(C)(CCl)O[13CH3] 7a_100000764493_200025704644 [0,2,0,0,0,0|1,0,1]=4 716 B6R0.8 CC(C)(CO)N[13CH3] 2230a_100000210608_200025704644 [0,2,0,0,0,0|2,0,0]=4 717 B6R0.8 CCC(C)(C)OC 7a_100000210230_200000210301 [0,2,0,0,0,0|1,0,1]=4 718 B6R0.8 CCC(C)(C)O[13CH3] 7a_100000210230_200025704644 [0,2,0,0,0,0|1,0,1]=4 719 B6R0.8 CNC(C)(C)CO 2230a_100000210608_200000210301 [0,2,0,0,0,0|2,0,0]=4 720 B6R0.8 COC(C)(C)C#N 34a_100138415774_100011162410 [0,2,0,0,0,0|1,0,1]=4 721 B6R0.8 COC(C)(C)C#N 34a_200015195151_200000210301 [0,2,0,0,0,0|1,0,1]=4 722 B6R0.8 COC(C)(C)CCl 7a_100000764493_200000210301 [0,2,0,0,0,0|1,0,1]=4 723 B6R0.9 C#CC(CC)OC 34a_100000758843_200000210301 [0,2,0,0,0,0|1,0,1]=4 724 B6R0.9 C#CC(CC)OC 7a_100000758843_200000210301 [0,2,0,0,0,0|1,0,1]=4 725 B6R0.9 C#CC(CC)O[13CH3] 34a_100000758843_200025704644 [0,2,0,0,0,0|1,0,1]=4 726 B6R0.9 C#CC(CC)O[13CH3] 7a_100000758843_200025704644 [0,2,0,0,0,0|1,0,1]=4 727 B6R0.9 C=CC(C=C)OC 34a_100000033096_200000210301 [0,2,0,0,0,0|1,0,1]=4 728 B6R0.9 C=CC(C=C)O[13CH3] 34a_100000033096_200025704644 [0,2,0,0,0,0|1,0,1]=4 729 B6R0.9 C=CC(CC)OC 34a_100000766422_200000210301 [0,2,0,0,0,0|1,0,0]=3 730 B6R0.9 C=CC(CC)OC 7a_100000766422_200000210301 [0,2,0,0,0,0|1,0,0]=3 731 B6R0.9 C=CC(CC)O[13CH3] 34a_100000766422_200025704644 [0,2,0,0,0,0|1,0,0]=3 732 B6R0.9 C=CC(CC)O[13CH3] 7a_100000766422_200025704644 [0,2,0,0,0,0|1,0,0]=3 733 B6R0.9 C=C[C@@H](CO)NC 2230a_100016989147_200000210301 [0,2,0,0,0,0|1,0,0]=3 734 B6R0.9 C=C[C@@H](CO)NC 34a_100016989147_200000210301 [0,2,0,0,0,0|1,0,0]=3 735 B6R0.9 C=C[C@@H](CO)N[13CH3] 2230a_100016989147_200025704644 [0,2,0,0,0,0|1,0,0]=3 736 B6R0.9 C=C[C@@H](CO)N[13CH3] 34a_100016989147_200025704644 [0,2,0,0,0,0|1,0,0]=3 737 B6R0.9 CCC(CC)OC 7a_100000688536_200000210301 [0,2,0,0,0,0|1,0,1]=4 738 B6R0.9 CCC(CC)O[13CH3] 7a_100000688536_200025704644 [0,2,0,0,0,0|1,0,1]=4 739 B6R0.9 CC[C@@H](CO)NC 2230a_100000709445_200000210301 [0,2,0,0,0,0|1,0,1]=4 740 B6R0.9 CC[C@@H](CO)N[13CH3] 2230a_100000709445_200025704644 [0,2,0,0,0,0|1,0,1]=4 741 B6R0.9 CNC(C=O)C=O 2230a_106832991635_100000736813 [0,2,0,0,0,0|0,0,1]=3 742 B6R0.9 CNC(C=O)C=O 34a_100102657272_100000736813 [0,2,0,0,0,0|0,0,1]=3 743 B6R0.9 CNC(CO)CO 2230a_100000759517_200000210301 [0,2,0,0,0,0|0,0,2]=4 744 B6R0.9 COC(C=O)C=O 34a_100138415774_100000736813 [0,2,0,0,0,0|0,0,1]=3 745 B6R0.9 COC(CCl)CCl 7a_100000737055_200000210301 [0,2,0,0,0,0|1,0,1]=4 746 B6R0.9 COC(CF)CF 34a_100000032261_200000210301 [0,2,0,0,0,0|1,0,1]=4 747 B6R0.9 COC(CF)CF 7a_100000032261_200000210301 [0,2,0,0,0,0|1,0,1]=4 748 B6R0.9 COC(CN)CN 34a_100000031598_200000210301 [0,2,0,0,0,0|1,0,1]=4 749 B6R0.9 CO[C@@H](CF)CCl 34a_100015614560_200000210301 [0,2,0,0,0,0|1,0,1]=4 750 B6R0.9 CO[C@@H](CF)CCl 7a_100015614560_200000210301 [0,2,0,0,0,0|1,0,1]=4 751 B6R0.9 CSC(C=O)C=O 62a_100000736813_200000210301 [0,2,0,0,0,0|0,0,1]=3 752 B6R0.9 CSC(C=O)C=O 62a_200000210301_100000736813 [0,2,0,0,0,0|0,0,1]=3 753 B6R0.9 [13CH3]NC(CO)CO 2230a_100000759517_200025704644 [0,2,0,0,0,0|0,0,2]=4 754 B6R0.9 [13CH3]OC(CCl)CCl 7a_100000737055_200025704644 [0,2,0,0,0,0|1,0,1]=4 755 B6R0.9 [13CH3]OC(CF)CF 34a_100000032261_200025704644 [0,2,0,0,0,0|1,0,1]=4 756 B6R0.9 [13CH3]OC(CF)CF 7a_100000032261_200025704644 [0,2,0,0,0,0|1,0,1]=4 757 B6R0.9 [13CH3]OC(CN)CN 34a_100000031598_200025704644 [0,2,0,0,0,0|1,0,1]=4 758 B6R0.9 [13CH3]O[C@@H](CF)CCl 34a_100015614560_200025704644 [0,2,0,0,0,0|1,0,1]=4 759 B6R0.9 [13CH3]O[C@@H](CF)CCl 7a_100015614560_200025704644 [0,2,0,0,0,0|1,0,1]=4 760 B6R0.9 [13CH3]SC(C=O)C=O 62a_100000736813_200025704644 [0,2,0,0,0,0|0,0,1]=3 761 B6R0.9 [13CH3]SC(C=O)C=O 62a_200025704644_100000736813 [0,2,0,0,0,0|0,0,1]=3 762 B6R0.7 CC(=O)C(C)(C)C 1458a_106744555173_200000210301 [0,2,0,0,0,0|1,0,0]=3 763 B6R0.7 CC(=O)C(C)(C)F 1458a_100000765255_200000210301 [0,2,0,0,0,0|1,0,0]=3 764 B6R0.7 CC(=O)C(C)(C)O 1458a_100000242741_200000210301 [0,2,0,0,0,0|0,0,0]=2 765 B6R0.7 CC(=O)C(F)(F)F 1458a_100000070787_200000243211 [0,2,0,0,0,0|2,0,0]=4 766 B6R0.7 CC(=O)C(F)(F)F 1458a_100015355933_200000210301 [0,2,0,0,0,0|2,0,0]=4 767 B6R0.7 CC(C)(C)C(=O)[13CH3] 1458a_106744555173_200025704644 [0,2,0,0,0,0|1,0,0]=3 768 B6R0.7 CC(C)(F)C(=O)[13CH3] 1458a_100000765255_200025704644 [0,2,0,0,0,0|1,0,0]=3 769 B6R0.7 CC(C)(O)C(=O)[13CH3] 1458a_100000242741_200025704644 [0,2,0,0,0,0|0,0,0]=2 770 B6R0.7 [13CH3]C(=O)C(F)(F)F 1458a_100015355933_200025704644 [0,2,0,0,0,0|2,0,0]=4 771 B6R1.3 CNCC1CO1 2230a_106832991635_100011216344 [0,1,0,1,0,0|1,0,1]=4 772 B6R1.3 CNCC1CO1 34a_100102657272_102125554688 [0,1,0,1,0,0|1,0,1]=4 773 B6R1.3 CNCC1CO1 7a_106832991635_102125554688 [0,1,0,1,0,0|1,0,1]=4 774 B6R1.3 CNC[C@@H]1CO1 7a_106832991635_100000745022 [0,1,0,1,0,0|1,0,1]=4 775 B6R1.3 COCC1CO1 34a_100138415774_102125554688 [0,1,0,1,0,0|0,0,2]=4 776 B6R1.3 COC[C@@H]1CO1 34a_100000757423_200000210301 [0,1,0,1,0,0|0,0,2]=4 777 B6R1.3 CSCC1CO1 62a_102125554688_200000210301 [0,1,0,1,0,0|0,1,1]=4 778 B6R1.3 CSCC1CO1 62a_200000210301_102125554688 [0,1,0,1,0,0|0,1,1]=4 779 B6R1.3 CSC[C@@H]1CO1 62a_100000745022_200000210301 [0,1,0,1,0,0|0,1,1]=4 780 B6R1.3 CSC[C@@H]1CO1 62a_200000210301_100000745022 [0,1,0,1,0,0|0,1,1]=4 781 B6R1.3 [13CH3]OC[C@@H]1CO1 34a_100000757423_200025704644 [0,1,0,1,0,0|0,0,2]=4 782 B6R1.3 [13CH3]SCC1CO1 62a_102125554688_200025704644 [0,1,0,1,0,0|0,1,1]=4 783 B6R1.3 [13CH3]SCC1CO1 62a_200025704644_102125554688 [0,1,0,1,0,0|0,1,1]=4 784 B6R1.3 [13CH3]SC[C@@H]1CO1 62a_100000745022_200025704644 [0,1,0,1,0,0|0,1,1]=4 785 B6R1.3 [13CH3]SC[C@@H]1CO1 62a_200025704644_100000745022 [0,1,0,1,0,0|0,1,1]=4 786 B6R1.5 CN1CC(C1)O 269982a_100000749847_200000210301 [0,1,0,1,0,0|1,0,1]=4 787 B6R1.5 [13CH3]N1CC(C1)O 269982a_100000749847_200025704644 [0,1,0,1,0,0|1,0,1]=4 788 B6R1.11 CC(=O)C1CC1 1458a_100000210395_200000210301 [0,1,0,1,0,0|1,0,0]=3 789 B6R1.11 CC(=O)C1CO1 1458a_100000701028_200000210301 [0,1,0,1,0,0|0,0,0]=2 790 B6R1.11 [13CH3]C(=O)C1CC1 1458a_100000210395_200025704644 [0,1,0,1,0,0|1,0,0]=3 791 B6R1.11 [13CH3]C(=O)C1CO1 1458a_100000701028_200025704644 [0,1,0,1,0,0|0,0,0]=2 792 B6R1.6 CNC1COC1 2230a_100016991112_200000210301 [0,1,0,1,0,0|2,0,0]=4 793 B6R1.6 CNC1COC1 34a_100102657272_100009818527 [0,1,0,1,0,0|2,0,0]=4 794 B6R1.6 CNC1COC1 7a_106832991635_100009818527 [0,1,0,1,0,0|2,0,0]=4 795 B6R1.6 COC1CCC1 34a_100000748187_200000210301 [0,1,0,1,0,0|1,0,1]=4 796 B6R1.6 COC1CCC1 34a_100138415774_100000749161 [0,1,0,1,0,0|1,0,1]=4 797 B6R1.6 COC1COC1 34a_100138415774_100009818527 [0,1,0,1,0,0|0,0,2]=4 798 B6R1.6 COC1CSC1 7a_100000072292_200000210301 [0,1,0,1,0,0|0,1,1]=4 799 B6R1.6 CSC1COC1 62a_200000210301_100009818527 [0,1,0,1,0,0|2,0,0]=4 800 B6R1.6 [13CH3]NC1COC1 2230a_100016991112_200025704644 [0,1,0,1,0,0|2,0,0]=4 801 B6R1.6 [13CH3]OC1CCC1 34a_100000748187_200025704644 [0,1,0,1,0,0|1,0,1]=4 802 B6R1.6 [13CH3]OC1CSC1 7a_100000072292_200025704644 [0,1,0,1,0,0|0,1,1]=4 803 B6R1.6 [13CH3]SC1COC1 62a_200025704644_100009818527 [0,1,0,1,0,0|2,0,0]=4 804 B6R1.7 CC1(CC1)O[13CH3] 7a_100011725673_200025704644 [0,1,0,1,0,0|1,0,1]=4 805 B6R1.7 COC1(CC1)C 7a_100011725673_200000210301 [0,1,0,1,0,0|1,0,1]=4