0 B3R0.2 CC(=O)C 1458a_100000070787_200000210301 [0,0,0,0,0,0|1,0,0]=1 1 B3R0.2 CC(=O)[13CH3] 1458a_100000070787_200025704644 [0,0,0,0,0,0|1,0,0]=1 2 B3R0.2 CN(C)C 2230a_100102631434_200000210301 [0,0,0,0,0,0|3,0,0]=3 3 B3R0.2 CN(C)C 269982a_100102631434_200000210301 [0,0,0,0,0,0|3,0,0]=3 4 B3R0.2 CN(C)[13CH3] 2230a_100102631434_200025704644 [0,0,0,0,0,0|3,0,0]=3 5 B3R0.2 CN(C)[13CH3] 269982a_100102631434_200025704644 [0,0,0,0,0,0|3,0,0]=3 6 B2R0.1 CNC 2230a_106832991635_200000210301 [1,0,0,0,0,0|2,0,0]=3 7 B2R0.1 CNC 34a_100102657272_200000210301 [1,0,0,0,0,0|2,0,0]=3 8 B2R0.1 CNC 7a_106832991635_200000210301 [1,0,0,0,0,0|2,0,0]=3 9 B2R0.1 CN[13CH3] 2230a_106832991635_200025704644 [1,0,0,0,0,0|2,0,0]=3 10 B2R0.1 CN[13CH3] 34a_100102657272_200025704644 [1,0,0,0,0,0|2,0,0]=3 11 B2R0.1 CN[13CH3] 7a_106832991635_200025704644 [1,0,0,0,0,0|2,0,0]=3 12 B2R0.1 COC 34a_100138415774_200000210301 [1,0,0,0,0,0|2,0,0]=3 13 B2R0.1 CO[13CH3] 34a_100138415774_200025704644 [1,0,0,0,0,0|2,0,0]=3 14 B2R0.1 CSC 62a_200000210301_200000210301 [1,0,0,0,0,0|2,0,0]=3 15 B2R0.1 CS[13CH3] 62a_200000210301_200025704644 [1,0,0,0,0,0|2,0,0]=3 16 B2R0.1 CS[13CH3] 62a_200025704644_200000210301 [1,0,0,0,0,0|2,0,0]=3 17 B2R0.1 [13CH3]S[13CH3] 62a_200025704644_200025704644 [1,0,0,0,0,0|2,0,0]=3 18 B4R0.1 C#CC(=O)C 1458a_100000211873_200000210301 [0,1,0,0,0,0|1,0,0]=2 19 B4R0.1 C#CC(=O)[13CH3] 1458a_100000211873_200025704644 [0,1,0,0,0,0|1,0,0]=2 20 B4R0.1 C=CC(=O)C 1458a_100000185746_200000210301 [0,1,0,0,0,0|1,0,0]=2 21 B4R0.1 C=CC(=O)[13CH3] 1458a_100000185746_200025704644 [0,1,0,0,0,0|1,0,0]=2 22 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [0,1,0,0,0,0|1,0,0]=2 23 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [0,1,0,0,0,0|1,0,0]=2 24 B4R0.1 CC(C)N[13CH3] 2230a_100138425928_200025704644 [0,1,0,0,0,0|1,0,1]=3 25 B4R0.1 CC(C)N[13CH3] 34a_100138425928_200025704644 [0,1,0,0,0,0|1,0,1]=3 26 B4R0.1 CC(C)O[13CH3] 34a_100000212225_200025704644 [0,1,0,0,0,0|1,0,2]=4 27 B4R0.1 CC(C)S[13CH3] 62a_100000210206_200025704644 [0,1,0,0,0,0|1,1,1]=4 28 B4R0.1 CC(C)S[13CH3] 62a_200025704644_100000210206 [0,1,0,0,0,0|1,1,1]=4 29 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [0,1,0,0,0,0|1,0,0]=2 30 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [0,1,0,0,0,0|1,0,0]=2 31 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [0,1,0,0,0,0|1,0,0]=2 32 B4R0.1 CCN(C)C 2230a_100000225621_200000210301 [0,1,0,0,0,0|3,0,0]=4 33 B4R0.1 CCN(C)C 2230a_100102631434_100000210202 [0,1,0,0,0,0|3,0,0]=4 34 B4R0.1 CCN(C)C 269982a_100000225621_200000210301 [0,1,0,0,0,0|3,0,0]=4 35 B4R0.1 CCN(C)C 269982a_100102631434_100000204670 [0,1,0,0,0,0|3,0,0]=4 36 B4R0.1 CCN(C)[13CH3] 2230a_100000225621_200025704644 [0,1,0,0,0,0|3,0,0]=4 37 B4R0.1 CCN(C)[13CH3] 269982a_100000225621_200025704644 [0,1,0,0,0,0|3,0,0]=4 38 B4R0.1 CN(C)CF 269982a_100102631434_100015361967 [0,1,0,0,0,0|3,0,0]=4 39 B4R0.1 CNC(=O)C 11a_106832991635_100015343762 [0,1,0,0,0,0|0,0,0]=1 40 B4R0.1 CNC(=O)C 1626a_100102657272_100015343762 [0,1,0,0,0,0|0,0,0]=1 41 B4R0.1 CNC(=O)C 240690a_100102657272_100015343762 [0,1,0,0,0,0|0,0,0]=1 42 B4R0.1 CNC(=O)C 527a_100102657272_100103153847 [0,1,0,0,0,0|0,0,0]=1 43 B4R0.1 CNC(C)C 2230a_100138425928_200000210301 [0,1,0,0,0,0|1,0,1]=3 44 B4R0.1 CNC(C)C 2230a_106832991635_100000210206 [0,1,0,0,0,0|1,0,1]=3 45 B4R0.1 CNC(C)C 34a_100102657272_100000210206 [0,1,0,0,0,0|1,0,1]=3 46 B4R0.1 CNC(C)C 34a_100138425928_200000210301 [0,1,0,0,0,0|1,0,1]=3 47 B4R0.1 CNC(C)C 7a_106832991635_100000210206 [0,1,0,0,0,0|1,0,1]=3 48 B4R0.1 COC(C)C 34a_100000212225_200000210301 [0,1,0,0,0,0|1,0,2]=4 49 B4R0.1 COC(C)C 34a_100138415774_100000210206 [0,1,0,0,0,0|1,0,2]=4 50 B4R0.1 CSC(C)C 62a_100000210206_200000210301 [0,1,0,0,0,0|1,1,1]=4 51 B4R0.1 CSC(C)C 62a_200000210301_100000210206 [0,1,0,0,0,0|1,1,1]=4 52 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [0,1,0,0,0,0|1,0,0]=2 53 B3R0.1 CCNC 2230a_100015525214_200000210301 [1,1,0,0,0,0|0,0,1]=3 54 B3R0.1 CCNC 2230a_106832991635_100000210202 [1,1,0,0,0,0|0,0,1]=3 55 B3R0.1 CCNC 34a_100102657272_100000210202 [1,1,0,0,0,0|0,0,1]=3 56 B3R0.1 CCNC 7a_106832991635_100000210202 [1,1,0,0,0,0|0,0,1]=3 57 B3R0.1 CCN[13CH3] 2230a_100015525214_200025704644 [1,1,0,0,0,0|0,0,1]=3 58 B3R0.1 CCOC 34a_100121572206_200000210301 [1,1,0,0,0,0|0,0,2]=4 59 B3R0.1 CCOC 34a_100138415774_100000210202 [1,1,0,0,0,0|0,0,2]=4 60 B3R0.1 CCO[13CH3] 34a_100121572206_200025704644 [1,1,0,0,0,0|0,0,2]=4 61 B3R0.1 CCSC 62a_100000210202_200000210301 [1,1,0,0,0,0|0,1,1]=4 62 B3R0.1 CCSC 62a_200000210301_100000210202 [1,1,0,0,0,0|0,1,1]=4 63 B3R0.1 CCS[13CH3] 62a_100000210202_200025704644 [1,1,0,0,0,0|0,1,1]=4 64 B3R0.1 CCS[13CH3] 62a_200025704644_100000210202 [1,1,0,0,0,0|0,1,1]=4 65 B3R0.1 CNCF 34a_100102657272_100015361967 [1,1,0,0,0,0|1,0,1]=4 66 B3R0.1 CNCF 7a_106832991635_100015361967 [1,1,0,0,0,0|1,0,1]=4 67 B3R0.1 COCF 34a_100138415774_100015361967 [1,1,0,0,0,0|1,0,1]=4 68 B3R0.1 CSCF 62a_100015361967_200000210301 [1,1,0,0,0,0|1,0,1]=4 69 B3R0.1 CSCF 62a_200000210301_100015361967 [1,1,0,0,0,0|1,0,1]=4 70 B3R0.1 [13CH3]SCF 62a_100015361967_200025704644 [1,1,0,0,0,0|1,0,1]=4 71 B3R0.1 [13CH3]SCF 62a_200025704644_100015361967 [1,1,0,0,0,0|1,0,1]=4 72 B5R0.1 C#CCC(=O)C 1458a_100000070787_100000184674 [0,2,0,0,0,0|1,0,0]=3 73 B5R0.1 C#CCC(=O)C 1458a_100011220946_200000210301 [0,2,0,0,0,0|1,0,0]=3 74 B5R0.1 C#CCC(=O)[13CH3] 1458a_100011220946_200025704644 [0,2,0,0,0,0|1,0,0]=3 75 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [0,2,0,0,0,0|1,0,0]=3 76 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [0,2,0,0,0,0|1,0,0]=3 77 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [0,2,0,0,0,0|1,0,0]=3 78 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [0,2,0,0,0,0|1,0,1]=4 79 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [0,2,0,0,0,0|1,0,1]=4 80 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [0,2,0,0,0,0|1,0,1]=4 81 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [0,2,0,0,0,0|1,1,0]=4 82 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [0,2,0,0,0,0|1,1,0]=4 83 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [0,2,0,0,0,0|1,1,0]=4 84 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [0,2,0,0,0,0|1,1,0]=4 85 B5R0.1 C=C(F)CNC 2230a_106832991635_100009893438 [0,2,0,0,0,0|1,0,1]=4 86 B5R0.1 C=C(F)CNC 34a_100102657272_100009893438 [0,2,0,0,0,0|1,0,1]=4 87 B5R0.1 C=C(F)CNC 7a_106832991635_100000042424 [0,2,0,0,0,0|1,0,1]=4 88 B5R0.1 C=C(F)COC 34a_100138415774_100009893438 [0,2,0,0,0,0|2,0,0]=4 89 B5R0.1 C=C(F)COC 34a_200010262243_200000210301 [0,2,0,0,0,0|2,0,0]=4 90 B5R0.1 C=C(F)CO[13CH3] 34a_200010262243_200025704644 [0,2,0,0,0,0|2,0,0]=4 91 B5R0.1 C=C(F)CSC 62a_100000042424_200000210301 [0,2,0,0,0,0|2,0,0]=4 92 B5R0.1 C=C(F)CSC 62a_200000210301_100000042424 [0,2,0,0,0,0|2,0,0]=4 93 B5R0.1 C=C(F)CS[13CH3] 62a_100000042424_200025704644 [0,2,0,0,0,0|2,0,0]=4 94 B5R0.1 C=C(F)CS[13CH3] 62a_200025704644_100000042424 [0,2,0,0,0,0|2,0,0]=4 95 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [0,2,0,0,0,0|1,0,0]=3 96 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [0,2,0,0,0,0|1,0,0]=3 97 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [0,2,0,0,0,0|1,0,0]=3 98 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [0,2,0,0,0,0|1,0,0]=3 99 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [0,2,0,0,0,0|1,0,0]=3 100 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [0,2,0,0,0,0|1,0,0]=3 101 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [0,2,0,0,0,0|1,0,0]=3 102 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [0,2,0,0,0,0|1,0,0]=3 103 B5R0.1 CC(=O)CC#N 1458a_100000070787_100011214920 [0,2,0,0,0,0|0,0,1]=3 104 B5R0.1 CC(=O)CC#N 1458a_100051588842_200000210301 [0,2,0,0,0,0|0,0,1]=3 105 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [0,2,0,0,0,0|1,0,0]=3 106 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [0,2,0,0,0,0|1,0,0]=3 107 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [0,2,0,0,0,0|1,0,0]=3 108 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [0,2,0,0,0,0|1,0,0]=3 109 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [0,2,0,0,0,0|1,0,1]=4 110 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [0,2,0,0,0,0|1,0,1]=4 111 B5R0.1 CC(C)NCF 34a_100138425928_100015361967 [0,2,0,0,0,0|1,0,1]=4 112 B5R0.1 CC(O)CN[13CH3] 2230a_100000210904_200025704644 [0,2,0,0,0,0|0,0,2]=4 113 B5R0.1 CC(O)CN[13CH3] 34a_100000210904_200025704644 [0,2,0,0,0,0|0,0,2]=4 114 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [0,2,0,0,0,0|1,0,0]=3 115 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [0,2,0,0,0,0|1,0,0]=3 116 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [0,2,0,0,0,0|1,0,0]=3 117 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [0,2,0,0,0,0|1,0,0]=3 118 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [0,2,0,0,0,0|1,0,0]=3 119 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [0,2,0,0,0,0|0,0,0]=2 120 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [0,2,0,0,0,0|0,0,0]=2 121 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [0,2,0,0,0,0|0,0,0]=2 122 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [0,2,0,0,0,0|1,0,1]=4 123 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [0,2,0,0,0,0|1,0,1]=4 124 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [0,2,0,0,0,0|1,0,1]=4 125 B5R0.1 CN(C)CC=O 2230a_100102631434_200015260668 [0,2,0,0,0,0|2,0,0]=4 126 B5R0.1 CN(C)CC=O 269982a_100102631434_200015260668 [0,2,0,0,0,0|2,0,0]=4 127 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [0,2,0,0,0,0|0,0,0]=2 128 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [0,2,0,0,0,0|0,0,0]=2 129 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [0,2,0,0,0,0|0,0,0]=2 130 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [0,2,0,0,0,0|0,0,0]=2 131 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [0,2,0,0,0,0|1,0,0]=3 132 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [0,2,0,0,0,0|1,0,0]=3 133 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [0,2,0,0,0,0|1,0,1]=4 134 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [0,2,0,0,0,0|1,0,1]=4 135 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [0,2,0,0,0,0|1,0,1]=4 136 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [0,2,0,0,0,0|1,0,1]=4 137 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [0,2,0,0,0,0|1,0,1]=4 138 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [0,2,0,0,0,0|1,0,1]=4 139 B5R0.1 CNCC(C)O 2230a_100000210904_200000210301 [0,2,0,0,0,0|0,0,2]=4 140 B5R0.1 CNCC(C)O 2230a_106832991635_100011218427 [0,2,0,0,0,0|0,0,2]=4 141 B5R0.1 CNCC(C)O 34a_100000210904_200000210301 [0,2,0,0,0,0|0,0,2]=4 142 B5R0.1 CNCC(C)O 34a_100102657272_100011218427 [0,2,0,0,0,0|0,0,2]=4 143 B5R0.1 CNCC(C)O 7a_106832991635_100011218427 [0,2,0,0,0,0|0,0,2]=4 144 B5R0.1 CNC[C@@H](C)O 2230a_106832991635_100009817552 [0,2,0,0,0,0|0,0,2]=4 145 B5R0.1 CNC[C@@H](C)O 34a_100102657272_100009817552 [0,2,0,0,0,0|0,0,2]=4 146 B5R0.1 CNC[C@@H](C)O 7a_106832991635_100009817552 [0,2,0,0,0,0|0,0,2]=4 147 B5R0.1 CNC[N+](=O)[O-] 34a_100102657272_100000761209 [0,2,0,0,0,0|2,0,0]=4 148 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [0,2,0,0,0,0|0,0,0]=2 149 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [0,2,0,0,0,0|1,0,0]=3 150 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [0,2,0,0,0,0|1,0,0]=3 151 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [0,2,0,0,0,0|0,0,0]=2 152 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [0,2,0,0,0,0|1,0,0]=3 153 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [0,2,0,0,0,0|1,0,0]=3 154 B5R0.1 COC[C@@H](C)N 34a_100000737577_200000210301 [0,2,0,0,0,0|0,0,2]=4 155 B5R0.1 COC[N+](=O)[O-] 34a_100138415774_100000761209 [0,2,0,0,0,0|2,0,0]=4 156 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [0,2,0,0,0,0|1,0,0]=3 157 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [0,2,0,0,0,0|0,0,0]=2 158 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [0,2,0,0,0,0|0,0,0]=2 159 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [0,2,0,0,0,0|1,0,0]=3 160 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [0,2,0,0,0,0|1,0,0]=3 161 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [0,2,0,0,0,0|1,0,0]=3 162 B5R0.1 CSC[N+](=O)[O-] 62a_200000210301_100000761209 [0,2,0,0,0,0|2,0,0]=4 163 B5R0.1 C[C@@H](N)CO[13CH3] 34a_100000737577_200025704644 [0,2,0,0,0,0|0,0,2]=4 164 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [0,2,0,0,0,0|1,0,0]=3 165 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [0,2,0,0,0,0|1,0,0]=3 166 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [0,2,0,0,0,0|1,0,0]=3 167 B5R0.1 [13CH3]C(=O)CC#N 1458a_100051588842_200025704644 [0,2,0,0,0,0|0,0,1]=3 168 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [0,2,0,0,0,0|1,0,0]=3 169 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [0,2,0,0,0,0|0,0,0]=2 170 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [0,2,0,0,0,0|1,0,0]=3 171 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [0,2,0,0,0,0|0,0,0]=2 172 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [0,2,0,0,0,0|0,0,0]=2 173 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [0,2,0,0,0,0|1,0,0]=3 174 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [0,2,0,0,0,0|1,0,0]=3 175 B5R0.1 [13CH3]SC[N+](=O)[O-] 62a_200025704644_100000761209 [0,2,0,0,0,0|2,0,0]=4 176 B5R0.3 C#CC(=O)CC 1458a_100000211873_100000210202 [0,2,0,0,0,0|1,0,0]=3 177 B5R0.3 C#CC(=O)CF 1458a_100000211873_100015361967 [0,2,0,0,0,0|1,0,0]=3 178 B5R0.3 C#CC(C)NC 2230a_100000707721_200000210301 [0,2,0,0,0,0|1,0,1]=4 179 B5R0.3 C#CC(C)NC 34a_100000707721_200000210301 [0,2,0,0,0,0|1,0,1]=4 180 B5R0.3 C#CC(C)NC 34a_100102657272_200000035995 [0,2,0,0,0,0|1,0,1]=4 181 B5R0.3 C#CC(C)N[13CH3] 2230a_100000707721_200025704644 [0,2,0,0,0,0|1,0,1]=4 182 B5R0.3 C#CC(C)N[13CH3] 34a_100000707721_200025704644 [0,2,0,0,0,0|1,0,1]=4 183 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [0,2,0,0,0,0|1,0,0]=3 184 B5R0.3 C=CC(=O)CF 1458a_100000185746_100015361967 [0,2,0,0,0,0|1,0,0]=3 185 B5R0.3 C=CC(=O)NC 1626a_100102657272_100000185746 [0,2,0,0,0,0|0,0,1]=3 186 B5R0.3 C=CC(=O)NC 240690a_100102657272_200121576911 [0,2,0,0,0,0|0,0,1]=3 187 B5R0.3 CC(C#N)N[13CH3] 2230a_100000737613_200025704644 [0,2,0,0,0,0|1,0,1]=4 188 B5R0.3 CC(CN)O[13CH3] 34a_100000210904_200025704644 [0,2,0,0,0,0|0,0,2]=4 189 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [0,2,0,0,0,0|1,0,0]=3 190 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [0,2,0,0,0,0|1,0,0]=3 191 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [0,2,0,0,0,0|1,0,0]=3 192 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [0,2,0,0,0,0|0,0,0]=2 193 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [0,2,0,0,0,0|0,0,0]=2 194 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [0,2,0,0,0,0|0,0,0]=2 195 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [0,2,0,0,0,0|0,0,0]=2 196 B5R0.3 CCC(C)NC 2230a_100000209981_200000210301 [0,2,0,0,0,0|1,0,1]=4 197 B5R0.3 CCC(C)NC 2230a_106832991635_100000758301 [0,2,0,0,0,0|1,0,1]=4 198 B5R0.3 CCC(C)NC 34a_100102657272_100011215416 [0,2,0,0,0,0|1,0,1]=4 199 B5R0.3 CCC(C)NC 7a_106832991635_100000758301 [0,2,0,0,0,0|1,0,1]=4 200 B5R0.3 CCC(C)N[13CH3] 2230a_100000209981_200025704644 [0,2,0,0,0,0|1,0,1]=4 201 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [0,2,0,0,0,0|0,0,0]=2 202 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [0,2,0,0,0,0|0,0,0]=2 203 B5R0.3 CNC(=O)NC 2708a_100102657272_106832991635 [0,2,0,0,0,0|0,0,0]=2 204 B5R0.3 CNC(=O)NC 273464a_100102657272_100102657272 [0,2,0,0,0,0|0,0,0]=2 205 B5R0.3 CNC(=O)NC 512a_106832991638_100102657272 [0,2,0,0,0,0|0,0,0]=2 206 B5R0.3 CNC(C)C#N 2230a_100000737613_200000210301 [0,2,0,0,0,0|1,0,1]=4 207 B5R0.3 CNC(C)C#N 2230a_106832991635_100000184139 [0,2,0,0,0,0|1,0,1]=4 208 B5R0.3 CNC(C)C#N 7a_106832991635_100000703298 [0,2,0,0,0,0|1,0,1]=4 209 B5R0.3 CNC(C)CO 2230a_106832991635_100012180447 [0,2,0,0,0,0|0,0,2]=4 210 B5R0.3 CNC(C)CO 34a_100102657272_100012180447 [0,2,0,0,0,0|0,0,2]=4 211 B5R0.3 CNC(C)CO 7a_106832991635_100012180447 [0,2,0,0,0,0|0,0,2]=4 212 B5R0.3 CN[C@H](C)CO 2230a_100000737577_200000210301 [0,2,0,0,0,0|0,0,2]=4 213 B5R0.3 COC(C)CN 34a_100000210904_200000210301 [0,2,0,0,0,0|0,0,2]=4 214 B5R0.3 C[C@H](CO)N[13CH3] 2230a_100000737577_200025704644 [0,2,0,0,0,0|0,0,2]=4 215 B5R0.3 O=C(CO)CF 1458a_100000210174_100015361967 [0,2,0,0,0,0|1,0,0]=3 216 B5R0.4 CC(C)(C)N[13CH3] 2230a_100000715429_200025704644 [0,2,0,0,0,0|1,0,1]=4 217 B5R0.4 CNC(C)(C)C 2230a_100000715429_200000210301 [0,2,0,0,0,0|1,0,1]=4 218 B5R0.4 CNC(C)(C)C 34a_100102657272_100000210625 [0,2,0,0,0,0|1,0,1]=4 219 B5R0.4 CNS(=O)(=O)C 40a_100102657272_100000738038 [0,2,0,0,0,0|1,0,0]=3 220 B5R0.5 C=C(C)C(=O)C 1458a_100000185857_200000210301 [0,2,0,0,0,0|1,0,0]=3 221 B5R0.5 C=C(C)C(=O)[13CH3] 1458a_100000185857_200025704644 [0,2,0,0,0,0|1,0,0]=3 222 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [0,2,0,0,0,0|1,0,0]=3 223 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [0,2,0,0,0,0|1,0,0]=3 224 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [0,2,0,0,0,0|1,0,0]=3 225 B5R0.5 CC(=O)C(O)O 1458a_100000233687_200000210301 [0,2,0,0,0,0|1,0,0]=3 226 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [0,2,0,0,0,0|0,0,0]=2 227 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [0,2,0,0,0,0|0,0,0]=2 228 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [0,2,0,0,0,0|0,0,0]=2 229 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [0,2,0,0,0,0|0,0,0]=2 230 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [0,2,0,0,0,0|1,0,0]=3 231 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [0,2,0,0,0,0|1,0,0]=3 232 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [0,2,0,0,0,0|1,0,0]=3 233 B5R0.5 CC(C)N(C)C 2230a_100102631434_100000210206 [0,2,0,0,0,0|1,0,1]=4 234 B5R0.5 CC(C)N(C)C 269982a_100102631434_100000210206 [0,2,0,0,0,0|1,0,1]=4 235 B5R0.5 CC(C)N(C)C 269982a_200000211004_200000210301 [0,2,0,0,0,0|1,0,1]=4 236 B5R0.5 CC(C)N(C)[13CH3] 269982a_200000211004_200025704644 [0,2,0,0,0,0|1,0,1]=4 237 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [0,2,0,0,0,0|1,0,0]=3 238 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [0,2,0,0,0,0|1,0,0]=3 239 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [0,2,0,0,0,0|1,0,0]=3 240 B5R0.5 [13CH3]C(=O)C(O)O 1458a_100000233687_200025704644 [0,2,0,0,0,0|1,0,0]=3 241 B5R1.3 CNC1CC1 34a_100000212008_200000210301 [0,1,0,1,0,0|1,0,1]=4 242 B5R1.3 CNC1CC1 34a_100102657272_100000211595 [0,1,0,1,0,0|1,0,1]=4 243 B5R1.3 [13CH3]NC1CC1 34a_100000212008_200025704644 [0,1,0,1,0,0|1,0,1]=4