0 B3R0.1 CCNC 2230a_100015525214_200000210301 [0,0,0,0,0,0|2,0,2]=4 1 B3R0.1 CCNC 2230a_106832991635_100000210202 [0,0,0,0,0,0|2,0,2]=4 2 B3R0.1 CCNC 34a_100102657272_100000210202 [0,0,0,0,0,0|2,0,2]=4 3 B3R0.1 CCNC 7a_106832991635_100000210202 [0,0,0,0,0,0|2,0,2]=4 4 B3R0.1 CCN[13CH3] 2230a_100015525214_200025704644 [0,0,0,0,0,0|2,0,2]=4 5 B3R0.1 CCOC 34a_100121572206_200000210301 [0,0,0,0,0,0|2,0,2]=4 6 B3R0.1 CCOC 34a_100138415774_100000210202 [0,0,0,0,0,0|2,0,2]=4 7 B3R0.1 CCO[13CH3] 34a_100121572206_200025704644 [0,0,0,0,0,0|2,0,2]=4 8 B3R0.1 CCSC 62a_100000210202_200000210301 [0,0,0,0,0,0|2,0,2]=4 9 B3R0.1 CCSC 62a_200000210301_100000210202 [0,0,0,0,0,0|2,0,2]=4 10 B3R0.1 CCS[13CH3] 62a_100000210202_200025704644 [0,0,0,0,0,0|2,0,2]=4 11 B3R0.1 CCS[13CH3] 62a_200025704644_100000210202 [0,0,0,0,0,0|2,0,2]=4 12 B3R0.1 CNCF 34a_100102657272_100015361967 [0,0,0,0,0,0|2,0,2]=4 13 B3R0.1 CNCF 7a_106832991635_100015361967 [0,0,0,0,0,0|2,0,2]=4 14 B3R0.1 COCF 34a_100138415774_100015361967 [0,0,0,0,0,0|2,0,2]=4 15 B3R0.1 CSCF 62a_100015361967_200000210301 [0,0,0,0,0,0|2,0,2]=4 16 B3R0.1 CSCF 62a_200000210301_100015361967 [0,0,0,0,0,0|2,0,2]=4 17 B3R0.1 [13CH3]SCF 62a_100015361967_200025704644 [0,0,0,0,0,0|2,0,2]=4 18 B3R0.1 [13CH3]SCF 62a_200025704644_100015361967 [0,0,0,0,0,0|2,0,2]=4 19 B2R0.1 CNC 2230a_106832991635_200000210301 [1,0,0,0,0,0|1,0,2]=4 20 B2R0.1 CNC 34a_100102657272_200000210301 [1,0,0,0,0,0|1,0,2]=4 21 B2R0.1 CNC 7a_106832991635_200000210301 [1,0,0,0,0,0|1,0,2]=4 22 B2R0.1 CN[13CH3] 2230a_106832991635_200025704644 [1,0,0,0,0,0|1,0,2]=4 23 B2R0.1 CN[13CH3] 34a_100102657272_200025704644 [1,0,0,0,0,0|1,0,2]=4 24 B2R0.1 CN[13CH3] 7a_106832991635_200025704644 [1,0,0,0,0,0|1,0,2]=4 25 B2R0.1 COC 34a_100138415774_200000210301 [1,0,0,0,0,0|1,0,2]=4 26 B2R0.1 CO[13CH3] 34a_100138415774_200025704644 [1,0,0,0,0,0|1,0,2]=4 27 B2R0.1 CSC 62a_200000210301_200000210301 [1,0,0,0,0,0|1,0,2]=4 28 B2R0.1 CS[13CH3] 62a_200000210301_200025704644 [1,0,0,0,0,0|1,0,2]=4 29 B2R0.1 CS[13CH3] 62a_200025704644_200000210301 [1,0,0,0,0,0|1,0,2]=4 30 B2R0.1 [13CH3]S[13CH3] 62a_200025704644_200025704644 [1,0,0,0,0,0|1,0,2]=4 31 B4R0.1 C#CC(=O)C 1458a_100000211873_200000210301 [0,1,0,0,0,0|0,0,2]=3 32 B4R0.1 C#CC(=O)[13CH3] 1458a_100000211873_200025704644 [0,1,0,0,0,0|0,0,2]=3 33 B4R0.1 C=CC(=O)C 1458a_100000185746_200000210301 [0,1,0,0,0,0|0,0,0]=1 34 B4R0.1 C=CC(=O)[13CH3] 1458a_100000185746_200025704644 [0,1,0,0,0,0|0,0,0]=1 35 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [0,1,0,0,0,0|1,0,1]=3 36 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [0,1,0,0,0,0|1,0,1]=3 37 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [0,1,0,0,0,0|0,0,2]=3 38 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [0,1,0,0,0,0|0,0,2]=3 39 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [0,1,0,0,0,0|0,0,2]=3 40 B4R0.1 CNC(=O)C 11a_106832991635_100015343762 [0,1,0,0,0,0|1,0,1]=3 41 B4R0.1 CNC(=O)C 1626a_100102657272_100015343762 [0,1,0,0,0,0|1,0,1]=3 42 B4R0.1 CNC(=O)C 240690a_100102657272_100015343762 [0,1,0,0,0,0|1,0,1]=3 43 B4R0.1 CNC(=O)C 527a_100102657272_100103153847 [0,1,0,0,0,0|1,0,1]=3 44 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [0,1,0,0,0,0|1,0,1]=3 45 B4R0.2 C=CCNC 2230a_100020586998_200000210301 [0,1,0,0,0,0|1,0,1]=3 46 B4R0.2 C=CCNC 2230a_106832991635_100000210623 [0,1,0,0,0,0|1,0,1]=3 47 B4R0.2 C=CCNC 34a_100102657272_100015514636 [0,1,0,0,0,0|1,0,1]=3 48 B4R0.2 C=CCNC 7a_106832991635_100015514636 [0,1,0,0,0,0|1,0,1]=3 49 B4R0.2 C=CCN[13CH3] 2230a_100020586998_200025704644 [0,1,0,0,0,0|1,0,1]=3 50 B4R0.2 C=CCOC 34a_100138415774_100015514636 [0,1,0,0,0,0|0,0,2]=3 51 B4R0.2 C=CCOC 34a_200000210373_200000210301 [0,1,0,0,0,0|0,0,2]=3 52 B4R0.2 C=CCO[13CH3] 34a_200000210373_200025704644 [0,1,0,0,0,0|0,0,2]=3 53 B4R0.2 C=CCSC 62a_100000210623_200000210301 [0,1,0,0,0,0|0,1,1]=3 54 B4R0.2 C=CCSC 62a_200000210301_100000210623 [0,1,0,0,0,0|0,1,1]=3 55 B4R0.2 C=CCS[13CH3] 62a_100000210623_200025704644 [0,1,0,0,0,0|0,1,1]=3 56 B4R0.2 C=CCS[13CH3] 62a_200025704644_100000210623 [0,1,0,0,0,0|0,1,1]=3 57 B4R0.2 CNCC=O 2230a_106832991635_200015260668 [0,1,0,0,0,0|0,0,2]=3 58 B4R0.2 CNCC=O 34a_100102657272_200009817547 [0,1,0,0,0,0|0,0,2]=3 59 B4R0.2 CNCC=O 7a_106832991635_200015260668 [0,1,0,0,0,0|0,0,2]=3 60 B4R0.2 COCC=O 34a_100138415774_200009817547 [0,1,0,0,0,0|0,0,2]=3 61 B4R0.2 CSCC=O 62a_200000210301_200015260668 [0,1,0,0,0,0|0,0,2]=3 62 B4R0.2 CSCC=O 62a_200015260668_200000210301 [0,1,0,0,0,0|0,0,2]=3 63 B4R0.2 [13CH3]SCC=O 62a_200015260668_200025704644 [0,1,0,0,0,0|0,0,2]=3 64 B4R0.2 [13CH3]SCC=O 62a_200025704644_200015260668 [0,1,0,0,0,0|0,0,2]=3 65 B3R0.2 CC(=O)C 1458a_100000070787_200000210301 [1,1,0,0,0,0|0,0,1]=3 66 B3R0.2 CC(=O)[13CH3] 1458a_100000070787_200025704644 [1,1,0,0,0,0|0,0,1]=3 67 B5R0.1 C#CCC(=O)C 1458a_100000070787_100000184674 [0,2,0,0,0,0|0,0,2]=4 68 B5R0.1 C#CCC(=O)C 1458a_100011220946_200000210301 [0,2,0,0,0,0|0,0,2]=4 69 B5R0.1 C#CCC(=O)[13CH3] 1458a_100011220946_200025704644 [0,2,0,0,0,0|0,0,2]=4 70 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [0,2,0,0,0,0|1,0,1]=4 71 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [0,2,0,0,0,0|1,0,1]=4 72 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [0,2,0,0,0,0|1,0,1]=4 73 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [0,2,0,0,0,0|0,0,2]=4 74 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [0,2,0,0,0,0|0,0,2]=4 75 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [0,2,0,0,0,0|0,0,2]=4 76 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [0,2,0,0,0,0|0,1,1]=4 77 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [0,2,0,0,0,0|0,1,1]=4 78 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [0,2,0,0,0,0|0,1,1]=4 79 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [0,2,0,0,0,0|0,1,1]=4 80 B5R0.1 C=C(F)CNC 2230a_106832991635_100009893438 [0,2,0,0,0,0|1,0,1]=4 81 B5R0.1 C=C(F)CNC 34a_100102657272_100009893438 [0,2,0,0,0,0|1,0,1]=4 82 B5R0.1 C=C(F)CNC 7a_106832991635_100000042424 [0,2,0,0,0,0|1,0,1]=4 83 B5R0.1 C=C(F)COC 34a_100138415774_100009893438 [0,2,0,0,0,0|0,0,2]=4 84 B5R0.1 C=C(F)COC 34a_200010262243_200000210301 [0,2,0,0,0,0|0,0,2]=4 85 B5R0.1 C=C(F)CO[13CH3] 34a_200010262243_200025704644 [0,2,0,0,0,0|0,0,2]=4 86 B5R0.1 C=C(F)CSC 62a_100000042424_200000210301 [0,2,0,0,0,0|0,1,1]=4 87 B5R0.1 C=C(F)CSC 62a_200000210301_100000042424 [0,2,0,0,0,0|0,1,1]=4 88 B5R0.1 C=C(F)CS[13CH3] 62a_100000042424_200025704644 [0,2,0,0,0,0|0,1,1]=4 89 B5R0.1 C=C(F)CS[13CH3] 62a_200025704644_100000042424 [0,2,0,0,0,0|0,1,1]=4 90 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [0,2,0,0,0,0|0,0,0]=2 91 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [0,2,0,0,0,0|0,0,0]=2 92 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [0,2,0,0,0,0|0,0,0]=2 93 B5R0.1 C=CCN(C)C 2230a_100000225617_200000210301 [0,2,0,0,0,0|1,0,1]=4 94 B5R0.1 C=CCN(C)C 2230a_100102631434_100000210623 [0,2,0,0,0,0|1,0,1]=4 95 B5R0.1 C=CCN(C)C 269982a_100000225617_200000210301 [0,2,0,0,0,0|1,0,1]=4 96 B5R0.1 C=CCN(C)C 269982a_100102631434_100000210623 [0,2,0,0,0,0|1,0,1]=4 97 B5R0.1 C=CCN(C)[13CH3] 2230a_100000225617_200025704644 [0,2,0,0,0,0|1,0,1]=4 98 B5R0.1 C=CCN(C)[13CH3] 269982a_100000225617_200025704644 [0,2,0,0,0,0|1,0,1]=4 99 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [0,2,0,0,0,0|0,0,2]=4 100 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [0,2,0,0,0,0|0,0,2]=4 101 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [0,2,0,0,0,0|0,0,0]=2 102 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [0,2,0,0,0,0|0,0,0]=2 103 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [0,2,0,0,0,0|0,0,0]=2 104 B5R0.1 CC(=O)CC#N 1458a_100000070787_100011214920 [0,2,0,0,0,0|0,0,2]=4 105 B5R0.1 CC(=O)CC#N 1458a_100051588842_200000210301 [0,2,0,0,0,0|0,0,2]=4 106 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [0,2,0,0,0,0|0,0,2]=4 107 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [0,2,0,0,0,0|0,0,2]=4 108 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [0,2,0,0,0,0|0,0,2]=4 109 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [0,2,0,0,0,0|0,0,2]=4 110 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [0,2,0,0,0,0|0,0,0]=2 111 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [0,2,0,0,0,0|0,0,0]=2 112 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [0,2,0,0,0,0|0,0,2]=4 113 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [0,2,0,0,0,0|0,0,2]=4 114 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [0,2,0,0,0,0|0,0,2]=4 115 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [0,2,0,0,0,0|0,0,2]=4 116 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [0,2,0,0,0,0|0,0,2]=4 117 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [0,2,0,0,0,0|0,0,2]=4 118 B5R0.1 CN(C)CC=O 2230a_100102631434_200015260668 [0,2,0,0,0,0|0,0,2]=4 119 B5R0.1 CN(C)CC=O 269982a_100102631434_200015260668 [0,2,0,0,0,0|0,0,2]=4 120 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [0,2,0,0,0,0|0,0,2]=4 121 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [0,2,0,0,0,0|0,0,2]=4 122 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [0,2,0,0,0,0|0,0,2]=4 123 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [0,2,0,0,0,0|0,0,2]=4 124 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [0,2,0,0,0,0|0,0,2]=4 125 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [0,2,0,0,0,0|0,0,2]=4 126 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [0,2,0,0,0,0|1,0,1]=4 127 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [0,2,0,0,0,0|0,0,2]=4 128 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [0,2,0,0,0,0|0,0,2]=4 129 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [0,2,0,0,0,0|0,0,2]=4 130 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [0,2,0,0,0,0|0,0,2]=4 131 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [0,2,0,0,0,0|0,0,2]=4 132 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [0,2,0,0,0,0|0,0,2]=4 133 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [0,2,0,0,0,0|0,0,2]=4 134 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [0,2,0,0,0,0|0,0,2]=4 135 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [0,2,0,0,0,0|0,0,2]=4 136 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [0,2,0,0,0,0|0,0,2]=4 137 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [0,2,0,0,0,0|0,0,2]=4 138 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [0,2,0,0,0,0|0,0,0]=2 139 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [0,2,0,0,0,0|0,0,0]=2 140 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [0,2,0,0,0,0|0,0,0]=2 141 B5R0.1 [13CH3]C(=O)CC#N 1458a_100051588842_200025704644 [0,2,0,0,0,0|0,0,2]=4 142 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [0,2,0,0,0,0|0,0,2]=4 143 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [0,2,0,0,0,0|0,0,2]=4 144 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [0,2,0,0,0,0|0,0,2]=4 145 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [0,2,0,0,0,0|0,0,2]=4 146 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [0,2,0,0,0,0|0,0,2]=4 147 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [0,2,0,0,0,0|0,0,2]=4 148 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [0,2,0,0,0,0|0,0,2]=4 149 B5R0.3 C#CC(=O)CC 1458a_100000211873_100000210202 [0,2,0,0,0,0|0,0,2]=4 150 B5R0.3 C#CC(=O)CF 1458a_100000211873_100015361967 [0,2,0,0,0,0|0,0,2]=4 151 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [0,2,0,0,0,0|0,0,0]=2 152 B5R0.3 C=CC(=O)CF 1458a_100000185746_100015361967 [0,2,0,0,0,0|0,0,0]=2 153 B5R0.3 C=CC(=O)NC 1626a_100102657272_100000185746 [0,2,0,0,0,0|0,0,0]=2 154 B5R0.3 C=CC(=O)NC 240690a_100102657272_200121576911 [0,2,0,0,0,0|0,0,0]=2 155 B5R0.3 C=CC(C)OC 34a_100000695699_200000210301 [0,2,0,0,0,0|0,0,2]=4 156 B5R0.3 C=CC(C)O[13CH3] 34a_100000695699_200025704644 [0,2,0,0,0,0|0,0,2]=4 157 B5R0.3 C=CC(C)SC 62a_100011215867_200000210301 [0,2,0,0,0,0|0,1,1]=4 158 B5R0.3 C=CC(C)S[13CH3] 62a_100011215867_200025704644 [0,2,0,0,0,0|0,1,1]=4 159 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [0,2,0,0,0,0|0,0,2]=4 160 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [0,2,0,0,0,0|0,0,2]=4 161 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [0,2,0,0,0,0|0,0,2]=4 162 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [0,2,0,0,0,0|0,0,2]=4 163 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [0,2,0,0,0,0|0,0,2]=4 164 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [0,2,0,0,0,0|0,0,2]=4 165 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [0,2,0,0,0,0|0,0,2]=4 166 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [0,2,0,0,0,0|1,0,1]=4 167 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [0,2,0,0,0,0|1,0,1]=4 168 B5R0.3 CNC(=O)NC 2708a_100102657272_106832991635 [0,2,0,0,0,0|1,0,1]=4 169 B5R0.3 CNC(=O)NC 273464a_100102657272_100102657272 [0,2,0,0,0,0|1,0,1]=4 170 B5R0.3 CNC(=O)NC 512a_106832991638_100102657272 [0,2,0,0,0,0|1,0,1]=4 171 B5R0.3 O=C(CO)CF 1458a_100000210174_100015361967 [0,2,0,0,0,0|1,0,1]=4 172 B5R0.5 C=C(C)C(=O)C 1458a_100000185857_200000210301 [0,2,0,0,0,0|0,0,0]=2 173 B5R0.5 C=C(C)C(=O)[13CH3] 1458a_100000185857_200025704644 [0,2,0,0,0,0|0,0,0]=2 174 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [0,2,0,0,0,0|0,0,2]=4 175 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [0,2,0,0,0,0|0,0,2]=4 176 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [0,2,0,0,0,0|0,0,2]=4 177 B5R0.5 CC(=O)C(O)O 1458a_100000233687_200000210301 [0,2,0,0,0,0|1,0,1]=4 178 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [0,2,0,0,0,0|1,0,1]=4 179 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [0,2,0,0,0,0|1,0,1]=4 180 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [0,2,0,0,0,0|1,0,1]=4 181 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [0,2,0,0,0,0|1,0,1]=4 182 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [0,2,0,0,0,0|0,0,2]=4 183 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [0,2,0,0,0,0|0,0,2]=4 184 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [0,2,0,0,0,0|0,0,2]=4 185 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [0,2,0,0,0,0|0,0,2]=4 186 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [0,2,0,0,0,0|0,0,2]=4 187 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [0,2,0,0,0,0|0,0,2]=4 188 B5R0.5 [13CH3]C(=O)C(O)O 1458a_100000233687_200025704644 [0,2,0,0,0,0|1,0,1]=4 189 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [0,2,0,0,0,0|1,0,1]=4 190 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [0,2,0,0,0,0|1,0,1]=4 191 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [0,2,0,0,0,0|0,0,2]=4 192 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [0,2,0,0,0,0|0,0,2]=4 193 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [0,2,0,0,0,0|0,0,2]=4 194 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [0,2,0,0,0,0|0,1,1]=4 195 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [0,2,0,0,0,0|0,1,1]=4 196 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [0,2,0,0,0,0|0,1,1]=4 197 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [0,2,0,0,0,0|0,1,1]=4 198 B5R0.2 C=CCCNC 2230a_100015191253_200000210301 [0,2,0,0,0,0|1,0,1]=4 199 B5R0.2 C=CCCNC 2230a_106832991635_100000754431 [0,2,0,0,0,0|1,0,1]=4 200 B5R0.2 C=CCCNC 34a_100102657272_100000754431 [0,2,0,0,0,0|1,0,1]=4 201 B5R0.2 C=CCCNC 7a_106832991635_100000754431 [0,2,0,0,0,0|1,0,1]=4 202 B5R0.2 C=CCCN[13CH3] 2230a_100015191253_200025704644 [0,2,0,0,0,0|1,0,1]=4 203 B5R0.2 C=CCCOC 34a_100011205117_200000210301 [0,2,0,0,0,0|0,0,2]=4 204 B5R0.2 C=CCCOC 34a_100138415774_100000754431 [0,2,0,0,0,0|0,0,2]=4 205 B5R0.2 C=CCCO[13CH3] 34a_100011205117_200025704644 [0,2,0,0,0,0|0,0,2]=4 206 B5R0.2 C=CCCSC 62a_100000754431_200000210301 [0,2,0,0,0,0|0,1,1]=4 207 B5R0.2 C=CCCSC 62a_200000210301_100000754431 [0,2,0,0,0,0|0,1,1]=4 208 B5R0.2 C=CCCS[13CH3] 62a_100000754431_200025704644 [0,2,0,0,0,0|0,1,1]=4 209 B5R0.2 C=CCCS[13CH3] 62a_200025704644_100000754431 [0,2,0,0,0,0|0,1,1]=4 210 B5R0.2 C=CCNCC 2230a_100015525214_100000210623 [0,2,0,0,0,0|1,0,1]=4 211 B5R0.2 C=CCNCC 2230a_100020586998_100000210202 [0,2,0,0,0,0|1,0,1]=4 212 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [0,2,0,0,0,0|0,0,2]=4 213 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [0,2,0,0,0,0|0,0,2]=4 214 B5R0.2 C=CCOCF 34a_200000210373_100015361967 [0,2,0,0,0,0|0,0,2]=4 215 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [0,2,0,0,0,0|0,1,1]=4 216 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [0,2,0,0,0,0|0,1,1]=4 217 B5R0.2 C=CCSCF 62a_100000210623_100015361967 [0,2,0,0,0,0|0,1,1]=4 218 B5R0.2 C=CCSCF 62a_100015361967_100000210623 [0,2,0,0,0,0|0,1,1]=4 219 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [0,2,0,0,0,0|1,0,1]=4 220 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [0,2,0,0,0,0|1,0,1]=4 221 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [0,2,0,0,0,0|1,0,1]=4 222 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [0,2,0,0,0,0|0,0,2]=4 223 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [0,2,0,0,0,0|0,1,1]=4 224 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [0,2,0,0,0,0|0,1,1]=4 225 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [0,2,0,0,0,0|0,1,1]=4 226 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [0,2,0,0,0,0|0,1,1]=4 227 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [0,2,0,0,0,0|0,0,2]=4 228 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [0,2,0,0,0,0|0,0,2]=4 229 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [0,2,0,0,0,0|0,0,2]=4 230 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [0,2,0,0,0,0|0,0,2]=4 231 B5R0.2 O=CCSCF 62a_100015361967_200015260668 [0,2,0,0,0,0|0,0,2]=4 232 B5R0.2 O=CCSCF 62a_200015260668_100015361967 [0,2,0,0,0,0|0,0,2]=4