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|1,0,3]=4 3 B4R0.1 C=CC(=O)[13CH3] 1458a_100000185746_200025704644 [0,0,0,0,0,0|1,0,3]=4 4 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [0,0,0,0,0,0|0,1,2]=3 5 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [0,0,0,0,0,0|1,0,2]=3 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|1,0,2]=3 12 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [0,0,0,0,0,0|1,0,2]=3 13 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [0,0,0,0,0,0|1,0,2]=3 14 B4R0.1 CCN(C)C 2230a_100000225621_200000210301 [0,0,0,0,0,0|3,0,0]=3 15 B4R0.1 CCN(C)C 2230a_100102631434_100000210202 [0,0,0,0,0,0|3,0,0]=3 16 B4R0.1 CCN(C)C 269982a_100000225621_200000210301 [0,0,0,0,0,0|3,0,0]=3 17 B4R0.1 CCN(C)C 269982a_100102631434_100000204670 [0,0,0,0,0,0|3,0,0]=3 18 B4R0.1 CCN(C)[13CH3] 2230a_100000225621_200025704644 [0,0,0,0,0,0|3,0,0]=3 19 B4R0.1 CCN(C)[13CH3] 269982a_100000225621_200025704644 [0,0,0,0,0,0|3,0,0]=3 20 B4R0.1 CN(C)CF 269982a_100102631434_100015361967 [0,0,0,0,0,0|2,1,0]=3 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|1,0,2]=3 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|1,1,0]=3 48 B3R0.1 CNCF 7a_106832991635_100015361967 [1,0,0,0,0,0|1,1,0]=3 49 B3R0.1 COCF 34a_100138415774_100015361967 [1,0,0,0,0,0|1,1,0]=3 50 B3R0.1 CSCF 62a_100015361967_200000210301 [1,0,0,0,0,0|1,1,0]=3 51 B3R0.1 CSCF 62a_200000210301_100015361967 [1,0,0,0,0,0|1,1,0]=3 52 B3R0.1 [13CH3]SCF 62a_100015361967_200025704644 [1,0,0,0,0,0|1,1,0]=3 53 B3R0.1 [13CH3]SCF 62a_200025704644_100015361967 [1,0,0,0,0,0|1,1,0]=3 54 B3R0.2 CC(=O)C 1458a_100000070787_200000210301 [1,0,0,0,0,0|0,0,2]=3 55 B3R0.2 CC(=O)[13CH3] 1458a_100000070787_200025704644 [1,0,0,0,0,0|0,0,2]=3 56 B3R0.2 CN(C)C 2230a_100102631434_200000210301 [1,0,0,0,0,0|2,0,0]=3 57 B3R0.2 CN(C)C 269982a_100102631434_200000210301 [1,0,0,0,0,0|2,0,0]=3 58 B3R0.2 CN(C)[13CH3] 2230a_100102631434_200025704644 [1,0,0,0,0,0|2,0,0]=3 59 B3R0.2 CN(C)[13CH3] 269982a_100102631434_200025704644 [1,0,0,0,0,0|2,0,0]=3 60 B5R0.1 C#CCC(=O)C 1458a_100000070787_100000184674 [0,1,0,0,0,0|1,0,2]=4 61 B5R0.1 C#CCC(=O)C 1458a_100011220946_200000210301 [0,1,0,0,0,0|1,0,2]=4 62 B5R0.1 C#CCC(=O)[13CH3] 1458a_100011220946_200025704644 [0,1,0,0,0,0|1,0,2]=4 63 B5R0.1 C#CCN(C)C 2230a_100000225692_200000210301 [0,1,0,0,0,0|3,0,0]=4 64 B5R0.1 C#CCN(C)C 2230a_100102631434_100000038162 [0,1,0,0,0,0|3,0,0]=4 65 B5R0.1 C#CCN(C)C 34a_100000225692_200000210301 [0,1,0,0,0,0|3,0,0]=4 66 B5R0.1 C#CCN(C)[13CH3] 2230a_100000225692_200025704644 [0,1,0,0,0,0|3,0,0]=4 67 B5R0.1 C#CCN(C)[13CH3] 34a_100000225692_200025704644 [0,1,0,0,0,0|3,0,0]=4 68 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [0,1,0,0,0,0|2,0,1]=4 69 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [0,1,0,0,0,0|2,0,1]=4 70 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [0,1,0,0,0,0|2,0,1]=4 71 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [0,1,0,0,0,0|2,0,1]=4 72 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [0,1,0,0,0,0|2,0,1]=4 73 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [0,1,0,0,0,0|2,0,1]=4 74 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [0,1,0,0,0,0|2,0,1]=4 75 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [0,1,0,0,0,0|2,0,1]=4 76 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [0,1,0,0,0,0|2,0,1]=4 77 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [0,1,0,0,0,0|2,0,1]=4 78 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [0,1,0,0,0,0|1,0,2]=4 79 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [0,1,0,0,0,0|1,0,2]=4 80 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [0,1,0,0,0,0|1,0,2]=4 81 B5R0.1 C=CCN(C)C 2230a_100000225617_200000210301 [0,1,0,0,0,0|3,0,0]=4 82 B5R0.1 C=CCN(C)C 2230a_100102631434_100000210623 [0,1,0,0,0,0|3,0,0]=4 83 B5R0.1 C=CCN(C)C 269982a_100000225617_200000210301 [0,1,0,0,0,0|3,0,0]=4 84 B5R0.1 C=CCN(C)C 269982a_100102631434_100000210623 [0,1,0,0,0,0|3,0,0]=4 85 B5R0.1 C=CCN(C)[13CH3] 2230a_100000225617_200025704644 [0,1,0,0,0,0|3,0,0]=4 86 B5R0.1 C=CCN(C)[13CH3] 269982a_100000225617_200025704644 [0,1,0,0,0,0|3,0,0]=4 87 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [0,1,0,0,0,0|0,0,3]=4 88 B5R0.1 CC(=O)CC#N 1458a_100000070787_100011214920 [0,1,0,0,0,0|1,0,2]=4 89 B5R0.1 CC(=O)CC#N 1458a_100051588842_200000210301 [0,1,0,0,0,0|1,0,2]=4 90 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [0,1,0,0,0,0|0,1,2]=4 91 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [0,1,0,0,0,0|1,0,2]=4 92 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [0,1,0,0,0,0|1,0,2]=4 93 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [0,1,0,0,0,0|1,0,2]=4 94 B5R0.1 CC(Br)CO[13CH3] 34a_100012180447_200025704644 [0,1,0,0,0,0|2,0,0]=3 95 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [0,1,0,0,0,0|2,0,0]=3 96 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [0,1,0,0,0,0|2,0,0]=3 97 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [0,1,0,0,0,0|2,0,0]=3 98 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [0,1,0,0,0,0|2,0,0]=3 99 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [0,1,0,0,0,0|2,0,0]=3 100 B5R0.1 CC(C)NCF 34a_100138425928_100015361967 [0,1,0,0,0,0|1,1,0]=3 101 B5R0.1 CC(C)OCF 34a_100000212225_100015361967 [0,1,0,0,0,0|1,1,0]=3 102 B5R0.1 CC(C)SCF 62a_100000210206_100015361967 [0,1,0,0,0,0|1,1,0]=3 103 B5R0.1 CC(C)SCF 62a_100015361967_100000210206 [0,1,0,0,0,0|1,1,0]=3 104 B5R0.1 CC(F)CO[13CH3] 34a_100015925927_200025704644 [0,1,0,0,0,0|2,0,0]=3 105 B5R0.1 CC(O)CN[13CH3] 2230a_100000210904_200025704644 [0,1,0,0,0,0|1,0,0]=2 106 B5R0.1 CC(O)CN[13CH3] 34a_100000210904_200025704644 [0,1,0,0,0,0|1,0,0]=2 107 B5R0.1 CC(O)CS[13CH3] 62a_100011218427_200025704644 [0,1,0,0,0,0|1,0,0]=2 108 B5R0.1 CC(O)CS[13CH3] 62a_200025704644_100011218427 [0,1,0,0,0,0|1,0,0]=2 109 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [0,1,0,0,0,0|1,0,2]=4 110 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [0,1,0,0,0,0|1,0,2]=4 111 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [0,1,0,0,0,0|1,0,2]=4 112 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [0,1,0,0,0,0|3,0,0]=4 113 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [0,1,0,0,0,0|3,0,0]=4 114 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [0,1,0,0,0,0|3,0,0]=4 115 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [0,1,0,0,0,0|3,0,0]=4 116 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [0,1,0,0,0,0|3,0,0]=4 117 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [0,1,0,0,0,0|3,0,0]=4 118 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [0,1,0,0,0,0|1,0,2]=4 119 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [0,1,0,0,0,0|1,0,2]=4 120 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [0,1,0,0,0,0|1,0,2]=4 121 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [0,1,0,0,0,0|2,0,0]=3 122 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [0,1,0,0,0,0|2,0,0]=3 123 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [0,1,0,0,0,0|2,0,0]=3 124 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [0,1,0,0,0,0|2,0,0]=3 125 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [0,1,0,0,0,0|2,0,0]=3 126 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [0,1,0,0,0,0|2,0,0]=3 127 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [0,1,0,0,0,0|2,0,0]=3 128 B5R0.1 CN(C)CC#N 2230a_100000748184_200000210301 [0,1,0,0,0,0|3,0,0]=4 129 B5R0.1 CN(C)CC#N 2230a_100102631434_100011215382 [0,1,0,0,0,0|3,0,0]=4 130 B5R0.1 CN(C)CC#N 269982a_100102631434_100011214920 [0,1,0,0,0,0|3,0,0]=4 131 B5R0.1 CN(C)CC=O 2230a_100102631434_200015260668 [0,1,0,0,0,0|3,0,0]=4 132 B5R0.1 CN(C)CC=O 269982a_100102631434_200015260668 [0,1,0,0,0,0|3,0,0]=4 133 B5R0.1 CN(C)CCF 2230a_100102631434_100011217306 [0,1,0,0,0,0|2,1,0]=4 134 B5R0.1 CN(C)CCF 269982a_100102631434_100011217306 [0,1,0,0,0,0|2,1,0]=4 135 B5R0.1 CN(C)CCO 2230a_100000210263_200000210301 [0,1,0,0,0,0|3,0,0]=4 136 B5R0.1 CN(C)CCO 2230a_100102631434_100000211926 [0,1,0,0,0,0|3,0,0]=4 137 B5R0.1 CN(C)CCO 269982a_100000210263_200000210301 [0,1,0,0,0,0|3,0,0]=4 138 B5R0.1 CN(C)CCO 269982a_100102631434_100000211926 [0,1,0,0,0,0|3,0,0]=4 139 B5R0.1 CN([13CH3])CC#N 2230a_100000748184_200025704644 [0,1,0,0,0,0|3,0,0]=4 140 B5R0.1 CN([13CH3])CCO 2230a_100000210263_200025704644 [0,1,0,0,0,0|3,0,0]=4 141 B5R0.1 CN([13CH3])CCO 269982a_100000210263_200025704644 [0,1,0,0,0,0|3,0,0]=4 142 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [0,1,0,0,0,0|2,0,1]=4 143 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [0,1,0,0,0,0|2,0,0]=3 144 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [0,1,0,0,0,0|2,0,0]=3 145 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [0,1,0,0,0,0|2,0,0]=3 146 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [0,1,0,0,0,0|2,0,0]=3 147 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [0,1,0,0,0,0|2,0,0]=3 148 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [0,1,0,0,0,0|2,0,0]=3 149 B5R0.1 CNCC(C)O 2230a_100000210904_200000210301 [0,1,0,0,0,0|1,0,0]=2 150 B5R0.1 CNCC(C)O 2230a_106832991635_100011218427 [0,1,0,0,0,0|1,0,0]=2 151 B5R0.1 CNCC(C)O 34a_100000210904_200000210301 [0,1,0,0,0,0|1,0,0]=2 152 B5R0.1 CNCC(C)O 34a_100102657272_100011218427 [0,1,0,0,0,0|1,0,0]=2 153 B5R0.1 CNCC(C)O 7a_106832991635_100011218427 [0,1,0,0,0,0|1,0,0]=2 154 B5R0.1 CNCC(F)F 2230a_106832991635_100011934356 [0,1,0,0,0,0|3,0,0]=4 155 B5R0.1 CNCC(F)F 34a_100000765723_200000210301 [0,1,0,0,0,0|3,0,0]=4 156 B5R0.1 CNCC(F)F 34a_100102657272_100011934356 [0,1,0,0,0,0|3,0,0]=4 157 B5R0.1 CNCC(F)F 7a_106832991635_100011934356 [0,1,0,0,0,0|3,0,0]=4 158 B5R0.1 CNC[C@@H](C)O 2230a_106832991635_100009817552 [0,1,0,0,0,0|1,0,0]=2 159 B5R0.1 CNC[C@@H](C)O 34a_100102657272_100009817552 [0,1,0,0,0,0|1,0,0]=2 160 B5R0.1 CNC[C@@H](C)O 7a_106832991635_100009817552 [0,1,0,0,0,0|1,0,0]=2 161 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [0,1,0,0,0,0|1,0,2]=4 162 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [0,1,0,0,0,0|1,0,2]=4 163 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [0,1,0,0,0,0|1,0,2]=4 164 B5R0.1 COCC(C)Br 34a_100012180447_200000210301 [0,1,0,0,0,0|2,0,0]=3 165 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [0,1,0,0,0,0|2,0,0]=3 166 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [0,1,0,0,0,0|2,0,0]=3 167 B5R0.1 COCC(C)F 34a_100015925927_200000210301 [0,1,0,0,0,0|2,0,0]=3 168 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [0,1,0,0,0,0|1,0,0]=2 169 B5R0.1 COCC(F)F 34a_100000743014_200000210301 [0,1,0,0,0,0|3,0,0]=4 170 B5R0.1 COCC(F)F 34a_100138415774_100011934356 [0,1,0,0,0,0|3,0,0]=4 171 B5R0.1 COCN(C)C 2230a_100102631434_100000766300 [0,1,0,0,0,0|3,0,0]=4 172 B5R0.1 COCN(C)C 269982a_100102631434_100000766300 [0,1,0,0,0,0|3,0,0]=4 173 B5R0.1 COC[C@@H](C)Cl 34a_100016084084_200000210301 [0,1,0,0,0,0|2,0,0]=3 174 B5R0.1 COC[C@@H](C)N 34a_100000737577_200000210301 [0,1,0,0,0,0|2,0,0]=3 175 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [0,1,0,0,0,0|1,0,0]=2 176 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [0,1,0,0,0,0|1,0,2]=4 177 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [0,1,0,0,0,0|1,0,2]=4 178 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [0,1,0,0,0,0|2,0,0]=3 179 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [0,1,0,0,0,0|2,0,0]=3 180 B5R0.1 CSCC(C)O 62a_100011218427_200000210301 [0,1,0,0,0,0|1,0,0]=2 181 B5R0.1 CSCC(C)O 62a_200000210301_100011218427 [0,1,0,0,0,0|1,0,0]=2 182 B5R0.1 CSCC(F)F 62a_100011934356_200000210301 [0,1,0,0,0,0|3,0,0]=4 183 B5R0.1 CSCC(F)F 62a_200000210301_100011934356 [0,1,0,0,0,0|3,0,0]=4 184 B5R0.1 CSCN(C)C 2230a_100102631434_100011218213 [0,1,0,0,0,0|3,0,0]=4 185 B5R0.1 CSCN(C)C 269982a_100102631434_100011218213 [0,1,0,0,0,0|3,0,0]=4 186 B5R0.1 CSC[C@@H](C)O 62a_100009817552_200000210301 [0,1,0,0,0,0|1,0,0]=2 187 B5R0.1 CSC[C@@H](C)O 62a_200000210301_100009817552 [0,1,0,0,0,0|1,0,0]=2 188 B5R0.1 C[C@@H](Cl)CO[13CH3] 34a_100016084084_200025704644 [0,1,0,0,0,0|2,0,0]=3 189 B5R0.1 C[C@@H](N)CO[13CH3] 34a_100000737577_200025704644 [0,1,0,0,0,0|2,0,0]=3 190 B5R0.1 C[C@@H](O)CS[13CH3] 62a_100009817552_200025704644 [0,1,0,0,0,0|1,0,0]=2 191 B5R0.1 C[C@@H](O)CS[13CH3] 62a_200025704644_100009817552 [0,1,0,0,0,0|1,0,0]=2 192 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [0,1,0,0,0,0|0,0,3]=4 193 B5R0.1 [13CH3]C(=O)CC#N 1458a_100051588842_200025704644 [0,1,0,0,0,0|1,0,2]=4 194 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [0,1,0,0,0,0|1,0,2]=4 195 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [0,1,0,0,0,0|2,0,1]=4 196 B5R0.1 [13CH3]NCC(F)F 34a_100000765723_200025704644 [0,1,0,0,0,0|3,0,0]=4 197 B5R0.1 [13CH3]OCC(F)F 34a_100000743014_200025704644 [0,1,0,0,0,0|3,0,0]=4 198 B5R0.1 [13CH3]SCC(F)F 62a_100011934356_200025704644 [0,1,0,0,0,0|3,0,0]=4 199 B5R0.1 [13CH3]SCC(F)F 62a_200025704644_100011934356 [0,1,0,0,0,0|3,0,0]=4 200 B5R0.3 C#CC(C)NC 2230a_100000707721_200000210301 [0,1,0,0,0,0|2,0,1]=4 201 B5R0.3 C#CC(C)NC 34a_100000707721_200000210301 [0,1,0,0,0,0|2,0,1]=4 202 B5R0.3 C#CC(C)NC 34a_100102657272_200000035995 [0,1,0,0,0,0|2,0,1]=4 203 B5R0.3 C#CC(C)N[13CH3] 2230a_100000707721_200025704644 [0,1,0,0,0,0|2,0,1]=4 204 B5R0.3 C#CC(C)N[13CH3] 34a_100000707721_200025704644 [0,1,0,0,0,0|2,0,1]=4 205 B5R0.3 C#CC(C)OC 34a_100138415774_200000035995 [0,1,0,0,0,0|1,0,1]=3 206 B5R0.3 C#CC(C)SC 62a_200000035995_200000210301 [0,1,0,0,0,0|1,1,1]=4 207 B5R0.3 C#CC(C)S[13CH3] 62a_200000035995_200025704644 [0,1,0,0,0,0|1,1,1]=4 208 B5R0.3 C#C[C@@H](C)OC 34a_100009815206_200000210301 [0,1,0,0,0,0|1,0,1]=3 209 B5R0.3 C#C[C@@H](C)OC 7a_100009815206_200000210301 [0,1,0,0,0,0|1,0,1]=3 210 B5R0.3 C#C[C@@H](C)O[13CH3] 34a_100009815206_200025704644 [0,1,0,0,0,0|1,0,1]=3 211 B5R0.3 C#C[C@@H](C)O[13CH3] 7a_100009815206_200025704644 [0,1,0,0,0,0|1,0,1]=3 212 B5R0.3 C=CC(C)OC 34a_100000695699_200000210301 [0,1,0,0,0,0|1,0,1]=3 213 B5R0.3 C=CC(C)O[13CH3] 34a_100000695699_200025704644 [0,1,0,0,0,0|1,0,1]=3 214 B5R0.3 C=CC(C)SC 62a_100011215867_200000210301 [0,1,0,0,0,0|1,1,1]=4 215 B5R0.3 C=CC(C)S[13CH3] 62a_100011215867_200025704644 [0,1,0,0,0,0|1,1,1]=4 216 B5R0.3 CC(C#N)N[13CH3] 2230a_100000737613_200025704644 [0,1,0,0,0,0|2,0,1]=4 217 B5R0.3 CC(C#N)O[13CH3] 34a_100011218135_200025704644 [0,1,0,0,0,0|1,0,1]=3 218 B5R0.3 CC(C#N)S[13CH3] 62a_100000703298_200025704644 [0,1,0,0,0,0|1,1,1]=4 219 B5R0.3 CC(C#N)S[13CH3] 62a_200025704644_100000703298 [0,1,0,0,0,0|1,1,1]=4 220 B5R0.3 CC(CF)O[13CH3] 34a_100016041109_200025704644 [0,1,0,0,0,0|0,1,0]=2 221 B5R0.3 CC(CF)O[13CH3] 7a_100016041109_200025704644 [0,1,0,0,0,0|0,1,0]=2 222 B5R0.3 CC(CN)O[13CH3] 34a_100000210904_200025704644 [0,1,0,0,0,0|1,0,0]=2 223 B5R0.3 CC(CO)S[13CH3] 62a_100012180447_200025704644 [0,1,0,0,0,0|1,1,0]=3 224 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [0,1,0,0,0,0|1,0,2]=4 225 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [0,1,0,0,0,0|0,1,2]=4 226 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [0,1,0,0,0,0|1,0,2]=4 227 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [0,1,0,0,0,0|1,0,2]=4 228 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [0,1,0,0,0,0|1,0,2]=4 229 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [0,1,0,0,0,0|1,0,2]=4 230 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [0,1,0,0,0,0|1,0,2]=4 231 B5R0.3 CCC(C)NC 2230a_100000209981_200000210301 [0,1,0,0,0,0|2,0,0]=3 232 B5R0.3 CCC(C)NC 2230a_106832991635_100000758301 [0,1,0,0,0,0|2,0,0]=3 233 B5R0.3 CCC(C)NC 34a_100102657272_100011215416 [0,1,0,0,0,0|2,0,0]=3 234 B5R0.3 CCC(C)NC 7a_106832991635_100000758301 [0,1,0,0,0,0|2,0,0]=3 235 B5R0.3 CCC(C)N[13CH3] 2230a_100000209981_200025704644 [0,1,0,0,0,0|2,0,0]=3 236 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [0,1,0,0,0,0|1,0,0]=2 237 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [0,1,0,0,0,0|1,0,0]=2 238 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [0,1,0,0,0,0|1,0,0]=2 239 B5R0.3 CCC(C)SC 62a_100000758301_200000210301 [0,1,0,0,0,0|1,1,0]=3 240 B5R0.3 CCC(C)SC 62a_200000210301_100000758301 [0,1,0,0,0,0|1,1,0]=3 241 B5R0.3 CCC(C)S[13CH3] 62a_100000758301_200025704644 [0,1,0,0,0,0|1,1,0]=3 242 B5R0.3 CCC(C)S[13CH3] 62a_200025704644_100000758301 [0,1,0,0,0,0|1,1,0]=3 243 B5R0.3 CCN(C)CC 2230a_100000225621_100000210202 [0,1,0,0,0,0|3,0,0]=4 244 B5R0.3 CCN(C)CC 2230a_100000724800_200000210301 [0,1,0,0,0,0|3,0,0]=4 245 B5R0.3 CCN(C)CC 269956a_100000042499_200000210301 [0,1,0,0,0,0|3,0,0]=4 246 B5R0.3 CCN(C)CC 269982a_100000225621_100000204670 [0,1,0,0,0,0|3,0,0]=4 247 B5R0.3 CCN(C)CC 269982a_100000724800_200000210301 [0,1,0,0,0,0|3,0,0]=4 248 B5R0.3 CCN(C)CF 269982a_100000225621_100015361967 [0,1,0,0,0,0|2,1,0]=4 249 B5R0.3 CCN([13CH3])CC 2230a_100000724800_200025704644 [0,1,0,0,0,0|3,0,0]=4 250 B5R0.3 CCN([13CH3])CC 269956a_100000042499_200025704644 [0,1,0,0,0,0|3,0,0]=4 251 B5R0.3 CCN([13CH3])CC 269982a_100000724800_200025704644 [0,1,0,0,0,0|3,0,0]=4 252 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [0,1,0,0,0,0|1,0,2]=4 253 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [0,1,0,0,0,0|1,0,2]=4 254 B5R0.3 CNC(C)C#N 2230a_100000737613_200000210301 [0,1,0,0,0,0|2,0,1]=4 255 B5R0.3 CNC(C)C#N 2230a_106832991635_100000184139 [0,1,0,0,0,0|2,0,1]=4 256 B5R0.3 CNC(C)C#N 7a_106832991635_100000703298 [0,1,0,0,0,0|2,0,1]=4 257 B5R0.3 CNC(C)CO 2230a_106832991635_100012180447 [0,1,0,0,0,0|2,0,0]=3 258 B5R0.3 CNC(C)CO 34a_100102657272_100012180447 [0,1,0,0,0,0|2,0,0]=3 259 B5R0.3 CNC(C)CO 7a_106832991635_100012180447 [0,1,0,0,0,0|2,0,0]=3 260 B5R0.3 CN[C@H](C)CO 2230a_100000737577_200000210301 [0,1,0,0,0,0|2,0,0]=3 261 B5R0.3 COC(C)C#N 34a_100011218135_200000210301 [0,1,0,0,0,0|1,0,1]=3 262 B5R0.3 COC(C)CF 34a_100016041109_200000210301 [0,1,0,0,0,0|0,1,0]=2 263 B5R0.3 COC(C)CF 7a_100016041109_200000210301 [0,1,0,0,0,0|0,1,0]=2 264 B5R0.3 COC(C)CN 34a_100000210904_200000210301 [0,1,0,0,0,0|1,0,0]=2 265 B5R0.3 COC(C)CO 34a_100138415774_100012180447 [0,1,0,0,0,0|1,0,0]=2 266 B5R0.3 COC(C)SC 62a_100009879195_200000210301 [0,1,0,0,0,0|2,0,0]=3 267 B5R0.3 COC(C)SC 62a_200000210301_100009879195 [0,1,0,0,0,0|2,0,0]=3 268 B5R0.3 COC(C)S[13CH3] 62a_100009879195_200025704644 [0,1,0,0,0,0|2,0,0]=3 269 B5R0.3 COC(C)S[13CH3] 62a_200025704644_100009879195 [0,1,0,0,0,0|2,0,0]=3 270 B5R0.3 CSC(C)C#N 62a_100000703298_200000210301 [0,1,0,0,0,0|1,1,1]=4 271 B5R0.3 CSC(C)C#N 62a_200000210301_100000703298 [0,1,0,0,0,0|1,1,1]=4 272 B5R0.3 CSC(C)CO 62a_100012180447_200000210301 [0,1,0,0,0,0|1,1,0]=3 273 B5R0.3 CSC(F)C#N 62a_200000117898_200000210301 [0,1,0,0,0,0|2,0,1]=4 274 B5R0.3 CSC(F)C#N 62a_200000210301_200000117898 [0,1,0,0,0,0|2,0,1]=4 275 B5R0.3 CS[C@H](C)CO 62a_100016084084_200000210301 [0,1,0,0,0,0|1,1,0]=3 276 B5R0.3 CS[C@H](C)CO 62a_200000210301_100016084084 [0,1,0,0,0,0|1,1,0]=3 277 B5R0.3 C[C@H](CO)N[13CH3] 2230a_100000737577_200025704644 [0,1,0,0,0,0|2,0,0]=3 278 B5R0.3 C[C@H](CO)S[13CH3] 62a_100016084084_200025704644 [0,1,0,0,0,0|1,1,0]=3 279 B5R0.3 C[C@H](CO)S[13CH3] 62a_200025704644_100016084084 [0,1,0,0,0,0|1,1,0]=3 280 B5R0.3 O=C(CO)CF 1458a_100000210174_100015361967 [0,1,0,0,0,0|0,1,2]=4 281 B5R0.3 [13CH3]SC(F)C#N 62a_200000117898_200025704644 [0,1,0,0,0,0|2,0,1]=4 282 B5R0.3 [13CH3]SC(F)C#N 62a_200025704644_200000117898 [0,1,0,0,0,0|2,0,1]=4 283 B5R0.4 CC(C)(C)N[13CH3] 2230a_100000715429_200025704644 [0,1,0,0,0,0|3,0,0]=4 284 B5R0.4 CC(C)(C)O[13CH3] 34a_100015890283_200025704644 [0,1,0,0,0,0|3,0,0]=4 285 B5R0.4 CC(C)(C)O[13CH3] 7a_100015890283_200025704644 [0,1,0,0,0,0|3,0,0]=4 286 B5R0.4 CC(C)(C)S[13CH3] 62a_100000211941_200025704644 [0,1,0,0,0,0|3,0,0]=4 287 B5R0.4 CC(C)(C)S[13CH3] 62a_200025704644_100000211941 [0,1,0,0,0,0|3,0,0]=4 288 B5R0.4 CNC(C)(C)C 2230a_100000715429_200000210301 [0,1,0,0,0,0|3,0,0]=4 289 B5R0.4 CNC(C)(C)C 34a_100102657272_100000210625 [0,1,0,0,0,0|3,0,0]=4 290 B5R0.4 COC(C)(C)C 34a_100015890283_200000210301 [0,1,0,0,0,0|3,0,0]=4 291 B5R0.4 COC(C)(C)C 34a_100138415774_100000210625 [0,1,0,0,0,0|3,0,0]=4 292 B5R0.4 COC(C)(C)C 7a_100015890283_200000210301 [0,1,0,0,0,0|3,0,0]=4 293 B5R0.4 CSC(C)(C)C 62a_100000211941_200000210301 [0,1,0,0,0,0|3,0,0]=4 294 B5R0.4 CSC(C)(C)C 62a_200000210301_100000211941 [0,1,0,0,0,0|3,0,0]=4 295 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [0,1,0,0,0,0|1,0,2]=4 296 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [0,1,0,0,0,0|1,0,2]=4 297 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [0,1,0,0,0,0|0,1,2]=4 298 B5R0.5 CC(=O)C(O)O 1458a_100000233687_200000210301 [0,1,0,0,0,0|1,0,2]=4 299 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [0,1,0,0,0,0|1,0,1]=3 300 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [0,1,0,0,0,0|1,0,1]=3 301 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [0,1,0,0,0,0|1,0,2]=4 302 B5R0.5 CC(C)N(C)C 2230a_100102631434_100000210206 [0,1,0,0,0,0|3,0,0]=4 303 B5R0.5 CC(C)N(C)C 269982a_100102631434_100000210206 [0,1,0,0,0,0|3,0,0]=4 304 B5R0.5 CC(C)N(C)C 269982a_200000211004_200000210301 [0,1,0,0,0,0|3,0,0]=4 305 B5R0.5 CC(C)N(C)[13CH3] 269982a_200000211004_200025704644 [0,1,0,0,0,0|3,0,0]=4 306 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [0,1,0,0,0,0|0,1,2]=4 307 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [0,1,0,0,0,0|1,0,1]=3 308 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [0,1,0,0,0,0|1,0,1]=3 309 B5R0.5 [13CH3]C(=O)C(O)O 1458a_100000233687_200025704644 [0,1,0,0,0,0|1,0,2]=4 310 B5R1.2 CN1CCC1 269982a_100000754969_200000210301 [0,0,0,1,0,0|3,0,0]=4 311 B5R1.2 [13CH3]N1CCC1 269982a_100000754969_200025704644 [0,0,0,1,0,0|3,0,0]=4 312 B5R1.3 CNC1CC1 34a_100000212008_200000210301 [0,0,0,1,0,0|3,0,0]=4 313 B5R1.3 CNC1CC1 34a_100102657272_100000211595 [0,0,0,1,0,0|3,0,0]=4 314 B5R1.3 COC1CC1 34a_100138415774_100000211595 [0,0,0,1,0,0|3,0,0]=4 315 B5R1.3 CSC1CC1 62a_200000210301_100000211595 [0,0,0,1,0,0|3,0,0]=4 316 B5R1.3 [13CH3]NC1CC1 34a_100000212008_200025704644 [0,0,0,1,0,0|3,0,0]=4 317 B5R1.3 [13CH3]SC1CC1 62a_200025704644_100000211595 [0,0,0,1,0,0|3,0,0]=4 318 B2R0.1 CNC 2230a_106832991635_200000210301 [2,0,0,0,0,0|1,0,0]=3 319 B2R0.1 CNC 34a_100102657272_200000210301 [2,0,0,0,0,0|1,0,0]=3 320 B2R0.1 CNC 7a_106832991635_200000210301 [2,0,0,0,0,0|1,0,0]=3 321 B2R0.1 CN[13CH3] 2230a_106832991635_200025704644 [2,0,0,0,0,0|1,0,0]=3 322 B2R0.1 CN[13CH3] 34a_100102657272_200025704644 [2,0,0,0,0,0|1,0,0]=3 323 B2R0.1 CN[13CH3] 7a_106832991635_200025704644 [2,0,0,0,0,0|1,0,0]=3 324 B2R0.1 COC 34a_100138415774_200000210301 [2,0,0,0,0,0|1,0,0]=3 325 B2R0.1 CO[13CH3] 34a_100138415774_200025704644 [2,0,0,0,0,0|1,0,0]=3 326 B2R0.1 CSC 62a_200000210301_200000210301 [2,0,0,0,0,0|1,0,0]=3 327 B2R0.1 CS[13CH3] 62a_200000210301_200025704644 [2,0,0,0,0,0|1,0,0]=3 328 B2R0.1 CS[13CH3] 62a_200025704644_200000210301 [2,0,0,0,0,0|1,0,0]=3 329 B2R0.1 [13CH3]S[13CH3] 62a_200025704644_200025704644 [2,0,0,0,0,0|1,0,0]=3 330 B4R0.2 C#CCNC 2230a_106832991635_100000038162 [1,1,0,0,0,0|1,0,1]=4 331 B4R0.2 C#CCNC 34a_100000212058_200000210301 [1,1,0,0,0,0|1,0,1]=4 332 B4R0.2 C#CCNC 34a_100102657272_100000184674 [1,1,0,0,0,0|1,0,1]=4 333 B4R0.2 C#CCNC 7a_106832991635_100000038162 [1,1,0,0,0,0|1,0,1]=4 334 B4R0.2 C#CCN[13CH3] 34a_100000212058_200025704644 [1,1,0,0,0,0|1,0,1]=4 335 B4R0.2 C#CCOC 34a_100000210247_200000210301 [1,1,0,0,0,0|1,0,1]=4 336 B4R0.2 C#CCOC 34a_100138415774_100000184674 [1,1,0,0,0,0|1,0,1]=4 337 B4R0.2 C#CCO[13CH3] 34a_100000210247_200025704644 [1,1,0,0,0,0|1,0,1]=4 338 B4R0.2 C#CCSC 62a_100000038162_200000210301 [1,1,0,0,0,0|1,0,1]=4 339 B4R0.2 C#CCS[13CH3] 62a_100000038162_200025704644 [1,1,0,0,0,0|1,0,1]=4 340 B4R0.2 C=CCNC 2230a_100020586998_200000210301 [1,1,0,0,0,0|1,0,1]=4 341 B4R0.2 C=CCNC 2230a_106832991635_100000210623 [1,1,0,0,0,0|1,0,1]=4 342 B4R0.2 C=CCNC 34a_100102657272_100015514636 [1,1,0,0,0,0|1,0,1]=4 343 B4R0.2 C=CCNC 7a_106832991635_100015514636 [1,1,0,0,0,0|1,0,1]=4 344 B4R0.2 C=CCN[13CH3] 2230a_100020586998_200025704644 [1,1,0,0,0,0|1,0,1]=4 345 B4R0.2 C=CCOC 34a_100138415774_100015514636 [1,1,0,0,0,0|1,0,1]=4 346 B4R0.2 C=CCOC 34a_200000210373_200000210301 [1,1,0,0,0,0|1,0,1]=4 347 B4R0.2 C=CCO[13CH3] 34a_200000210373_200025704644 [1,1,0,0,0,0|1,0,1]=4 348 B4R0.2 C=CCSC 62a_100000210623_200000210301 [1,1,0,0,0,0|1,0,1]=4 349 B4R0.2 C=CCSC 62a_200000210301_100000210623 [1,1,0,0,0,0|1,0,1]=4 350 B4R0.2 C=CCS[13CH3] 62a_100000210623_200025704644 [1,1,0,0,0,0|1,0,1]=4 351 B4R0.2 C=CCS[13CH3] 62a_200025704644_100000210623 [1,1,0,0,0,0|1,0,1]=4 352 B4R0.2 CCCNC 2230a_106832991635_100000210303 [1,1,0,0,0,0|1,0,0]=3 353 B4R0.2 CCCNC 34a_100102657272_100000210303 [1,1,0,0,0,0|1,0,0]=3 354 B4R0.2 CCCNC 7a_106832991635_100000210303 [1,1,0,0,0,0|1,0,0]=3 355 B4R0.2 CCCOC 34a_100000210258_200000210301 [1,1,0,0,0,0|1,0,0]=3 356 B4R0.2 CCCOC 34a_100138415774_100000210303 [1,1,0,0,0,0|1,0,0]=3 357 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [1,1,0,0,0,0|1,0,0]=3 358 B4R0.2 CCCSC 62a_100000210303_200000210301 [1,1,0,0,0,0|1,0,0]=3 359 B4R0.2 CCCSC 62a_200000210301_100000210303 [1,1,0,0,0,0|1,0,0]=3 360 B4R0.2 CCCS[13CH3] 62a_100000210303_200025704644 [1,1,0,0,0,0|1,0,0]=3 361 B4R0.2 CCCS[13CH3] 62a_200025704644_100000210303 [1,1,0,0,0,0|1,0,0]=3 362 B4R0.2 CCNCC 2230a_100015525214_100000210202 [1,1,0,0,0,0|1,0,0]=3 363 B4R0.2 CCOCC 34a_100121572206_100000210202 [1,1,0,0,0,0|1,0,0]=3 364 B4R0.2 CCOCF 34a_100121572206_100015361967 [1,1,0,0,0,0|0,1,0]=3 365 B4R0.2 CCSCC 62a_100000210202_100000210202 [1,1,0,0,0,0|1,0,0]=3 366 B4R0.2 CCSCF 62a_100000210202_100015361967 [1,1,0,0,0,0|0,1,0]=3 367 B4R0.2 CCSCF 62a_100015361967_100000210202 [1,1,0,0,0,0|0,1,0]=3 368 B4R0.2 CNCC#N 2230a_106832991635_100011215382 [1,1,0,0,0,0|1,0,1]=4 369 B4R0.2 CNCC#N 7a_106832991635_100011215382 [1,1,0,0,0,0|1,0,1]=4 370 B4R0.2 CNCC=O 2230a_106832991635_200015260668 [1,1,0,0,0,0|1,0,1]=4 371 B4R0.2 CNCC=O 34a_100102657272_200009817547 [1,1,0,0,0,0|1,0,1]=4 372 B4R0.2 CNCC=O 7a_106832991635_200015260668 [1,1,0,0,0,0|1,0,1]=4 373 B4R0.2 CNCCF 2230a_106832991635_100011217306 [1,1,0,0,0,0|0,1,0]=3 374 B4R0.2 CNCCF 34a_100000724931_200000210301 [1,1,0,0,0,0|0,1,0]=3 375 B4R0.2 CNCCF 34a_100102657272_100011217306 [1,1,0,0,0,0|0,1,0]=3 376 B4R0.2 CNCCF 7a_106832991635_100011217306 [1,1,0,0,0,0|0,1,0]=3 377 B4R0.2 CNCCO 2230a_100016997473_200000210301 [1,1,0,0,0,0|1,0,0]=3 378 B4R0.2 CNCCO 2230a_106832991635_100000211926 [1,1,0,0,0,0|1,0,0]=3 379 B4R0.2 CNCCO 34a_100016990907_200000210301 [1,1,0,0,0,0|1,0,0]=3 380 B4R0.2 CNCCO 34a_100102657272_100000211926 [1,1,0,0,0,0|1,0,0]=3 381 B4R0.2 CNCCO 7a_106832991635_100000211926 [1,1,0,0,0,0|1,0,0]=3 382 B4R0.2 CNCOC 2230a_106832991635_100000766300 [1,1,0,0,0,0|2,0,0]=4 383 B4R0.2 CNCSC 2230a_106832991635_100011218213 [1,1,0,0,0,0|2,0,0]=4 384 B4R0.2 CNCSC 34a_100102657272_100011218213 [1,1,0,0,0,0|2,0,0]=4 385 B4R0.2 COCC=O 34a_100138415774_200009817547 [1,1,0,0,0,0|1,0,1]=4 386 B4R0.2 COCCBr 34a_100000211926_200000210301 [1,1,0,0,0,0|0,0,0]=2 387 B4R0.2 COCCF 34a_100138415774_100011217306 [1,1,0,0,0,0|0,1,0]=3 388 B4R0.2 COCCN 34a_100000210304_200000210301 [1,1,0,0,0,0|1,0,0]=3 389 B4R0.2 COCCO 34a_100138415774_100000211926 [1,1,0,0,0,0|1,0,0]=3 390 B4R0.2 COCSC 34a_100138415774_100011218213 [1,1,0,0,0,0|2,0,0]=4 391 B4R0.2 COCSC 62a_100000766300_200000210301 [1,1,0,0,0,0|2,0,0]=4 392 B4R0.2 COCSC 62a_200000210301_100000766300 [1,1,0,0,0,0|2,0,0]=4 393 B4R0.2 COCS[13CH3] 62a_100000766300_200025704644 [1,1,0,0,0,0|2,0,0]=4 394 B4R0.2 COCS[13CH3] 62a_200025704644_100000766300 [1,1,0,0,0,0|2,0,0]=4 395 B4R0.2 CSCC#N 62a_100011215382_200000210301 [1,1,0,0,0,0|1,0,1]=4 396 B4R0.2 CSCC#N 62a_200000210301_100011215382 [1,1,0,0,0,0|1,0,1]=4 397 B4R0.2 CSCC=O 62a_200000210301_200015260668 [1,1,0,0,0,0|1,0,1]=4 398 B4R0.2 CSCC=O 62a_200015260668_200000210301 [1,1,0,0,0,0|1,0,1]=4 399 B4R0.2 CSCCF 62a_100011217306_200000210301 [1,1,0,0,0,0|0,1,0]=3 400 B4R0.2 CSCCF 62a_200000210301_100011217306 [1,1,0,0,0,0|0,1,0]=3 401 B4R0.2 CSCCO 62a_100000211926_200000210301 [1,1,0,0,0,0|1,0,0]=3 402 B4R0.2 CSCCO 62a_200000210301_100000211926 [1,1,0,0,0,0|1,0,0]=3 403 B4R0.2 CSCSC 62a_100011218213_200000210301 [1,1,0,0,0,0|2,0,0]=4 404 B4R0.2 CSCSC 62a_200000210301_100011218213 [1,1,0,0,0,0|2,0,0]=4 405 B4R0.2 CSCS[13CH3] 62a_100011218213_200025704644 [1,1,0,0,0,0|2,0,0]=4 406 B4R0.2 CSCS[13CH3] 62a_200025704644_100011218213 [1,1,0,0,0,0|2,0,0]=4 407 B4R0.2 FCSCF 62a_100015361967_100015361967 [1,1,0,0,0,0|1,1,0]=4 408 B4R0.2 [13CH3]NCCF 34a_100000724931_200025704644 [1,1,0,0,0,0|0,1,0]=3 409 B4R0.2 [13CH3]NCCO 2230a_100016997473_200025704644 [1,1,0,0,0,0|1,0,0]=3 410 B4R0.2 [13CH3]NCCO 34a_100016990907_200025704644 [1,1,0,0,0,0|1,0,0]=3 411 B4R0.2 [13CH3]OCCBr 34a_100000211926_200025704644 [1,1,0,0,0,0|0,0,0]=2 412 B4R0.2 [13CH3]OCCN 34a_100000210304_200025704644 [1,1,0,0,0,0|1,0,0]=3 413 B4R0.2 [13CH3]SCC#N 62a_100011215382_200025704644 [1,1,0,0,0,0|1,0,1]=4 414 B4R0.2 [13CH3]SCC#N 62a_200025704644_100011215382 [1,1,0,0,0,0|1,0,1]=4 415 B4R0.2 [13CH3]SCC=O 62a_200015260668_200025704644 [1,1,0,0,0,0|1,0,1]=4 416 B4R0.2 [13CH3]SCC=O 62a_200025704644_200015260668 [1,1,0,0,0,0|1,0,1]=4 417 B4R0.2 [13CH3]SCCF 62a_100011217306_200025704644 [1,1,0,0,0,0|0,1,0]=3 418 B4R0.2 [13CH3]SCCF 62a_200025704644_100011217306 [1,1,0,0,0,0|0,1,0]=3 419 B4R0.2 [13CH3]SCCO 62a_100000211926_200025704644 [1,1,0,0,0,0|1,0,0]=3 420 B4R0.2 [13CH3]SCCO 62a_200025704644_100000211926 [1,1,0,0,0,0|1,0,0]=3 421 B6R0.1 C#CC(C)NCC 2230a_100000707721_100000210202 [0,2,0,0,0,0|2,0,0]=4 422 B6R0.1 C#CC(C)NCC 34a_100000707721_100000210202 [0,2,0,0,0,0|2,0,0]=4 423 B6R0.1 C#CC(C)NCF 34a_100000707721_100015361967 [0,2,0,0,0,0|1,1,0]=4 424 B6R0.1 C#CC(C)OCC 34a_100121572206_200000035995 [0,2,0,0,0,0|1,0,1]=4 425 B6R0.1 C#CC(C)SCC 62a_200000035995_100000210202 [0,2,0,0,0,0|2,0,0]=4 426 B6R0.1 C#CC(C)SCF 62a_200000035995_100015361967 [0,2,0,0,0,0|1,1,0]=4 427 B6R0.1 C#CCC(C)OC 34a_100000685586_200000210301 [0,2,0,0,0,0|1,0,0]=3 428 B6R0.1 C#CCC(C)OC 7a_100000685586_200000210301 [0,2,0,0,0,0|1,0,0]=3 429 B6R0.1 C#CCC(C)O[13CH3] 34a_100000685586_200025704644 [0,2,0,0,0,0|1,0,0]=3 430 B6R0.1 C#CCC(C)O[13CH3] 7a_100000685586_200025704644 [0,2,0,0,0,0|1,0,0]=3 431 B6R0.1 C#C[C@@H](C)OCC 34a_100009815206_100000210202 [0,2,0,0,0,0|1,0,1]=4 432 B6R0.1 C#C[C@@H](C)OCC 7a_100009815206_100000210202 [0,2,0,0,0,0|1,0,1]=4 433 B6R0.1 C#C[C@@H](C)OCF 34a_100009815206_100015361967 [0,2,0,0,0,0|1,0,1]=4 434 B6R0.1 C#C[C@@H](C)OCF 7a_100009815206_100015361967 [0,2,0,0,0,0|1,0,1]=4 435 B6R0.1 C/C=C/C(C)OC 34a_200102604097_200000210301 [0,2,0,0,0,0|1,0,1]=4 436 B6R0.1 C/C=C/C(C)O[13CH3] 34a_200102604097_200025704644 [0,2,0,0,0,0|1,0,1]=4 437 B6R0.1 C=CC(C)COC 34a_100011215527_200000210301 [0,2,0,0,0,0|1,0,1]=4 438 B6R0.1 C=CC(C)COC 7a_100011215527_200000210301 [0,2,0,0,0,0|1,0,1]=4 439 B6R0.1 C=CC(C)CO[13CH3] 34a_100011215527_200025704644 [0,2,0,0,0,0|1,0,1]=4 440 B6R0.1 C=CC(C)CO[13CH3] 7a_100011215527_200025704644 [0,2,0,0,0,0|1,0,1]=4 441 B6R0.1 C=CC(C)OCC 34a_100000695699_100000210202 [0,2,0,0,0,0|1,0,1]=4 442 B6R0.1 C=CC(C)OCF 34a_100000695699_100015361967 [0,2,0,0,0,0|1,0,1]=4 443 B6R0.1 C=CC(C)SCC 62a_100011215867_100000210202 [0,2,0,0,0,0|2,0,0]=4 444 B6R0.1 C=CC(C)SCF 62a_100011215867_100015361967 [0,2,0,0,0,0|1,1,0]=4 445 B6R0.1 C=CC(O)CNC 2230a_106832991635_100000730141 [0,2,0,0,0,0|1,0,1]=4 446 B6R0.1 C=CC(O)CNC 34a_100102657272_100000730141 [0,2,0,0,0,0|1,0,1]=4 447 B6R0.1 C=CC(O)CNC 7a_106832991635_100000730141 [0,2,0,0,0,0|1,0,1]=4 448 B6R0.1 C=CC(O)COC 34a_100138415774_100000730141 [0,2,0,0,0,0|1,0,1]=4 449 B6R0.1 C=CC(O)CSC 62a_100000730141_200000210301 [0,2,0,0,0,0|1,0,1]=4 450 B6R0.1 C=CC(O)CSC 62a_200000210301_100000730141 [0,2,0,0,0,0|1,0,1]=4 451 B6R0.1 C=CC(O)CS[13CH3] 62a_100000730141_200025704644 [0,2,0,0,0,0|1,0,1]=4 452 B6R0.1 C=CC(O)CS[13CH3] 62a_200025704644_100000730141 [0,2,0,0,0,0|1,0,1]=4 453 B6R0.1 C=CC[C@@H](C)OC 34a_100000731007_200000210301 [0,2,0,0,0,0|1,0,0]=3 454 B6R0.1 C=CC[C@@H](C)OC 7a_100000731007_200000210301 [0,2,0,0,0,0|1,0,0]=3 455 B6R0.1 C=CC[C@@H](C)O[13CH3] 34a_100000731007_200025704644 [0,2,0,0,0,0|1,0,0]=3 456 B6R0.1 C=CC[C@@H](C)O[13CH3] 7a_100000731007_200025704644 [0,2,0,0,0,0|1,0,0]=3 457 B6R0.1 CC#CC(C)OC 34a_100011216543_200000210301 [0,2,0,0,0,0|1,0,1]=4 458 B6R0.1 CC#CC(C)O[13CH3] 34a_100011216543_200025704644 [0,2,0,0,0,0|1,0,1]=4 459 B6R0.1 CC(C#N)OCF 34a_100011218135_100015361967 [0,2,0,0,0,0|1,0,1]=4 460 B6R0.1 CC(C#N)SCF 62a_100000703298_100015361967 [0,2,0,0,0,0|1,1,0]=4 461 B6R0.1 CC(C#N)SCF 62a_100015361967_100000703298 [0,2,0,0,0,0|1,1,0]=4 462 B6R0.1 CC(CC#N)S[13CH3] 62a_100009813641_200025704644 [0,2,0,0,0,0|1,1,0]=4 463 B6R0.1 CC(CC#N)S[13CH3] 62a_200025704644_100009813641 [0,2,0,0,0,0|1,1,0]=4 464 B6R0.1 CC(CCBr)O[13CH3] 34a_100012276601_200025704644 [0,2,0,0,0,0|0,0,0]=2 465 B6R0.1 CC(CCO)S[13CH3] 62a_100009893172_200025704644 [0,2,0,0,0,0|1,1,0]=4 466 B6R0.1 CC(CCO)S[13CH3] 62a_200025704644_100009893172 [0,2,0,0,0,0|1,1,0]=4 467 B6R0.1 CC(CF)OCF 34a_100016041109_100015361967 [0,2,0,0,0,0|0,1,0]=3 468 B6R0.1 CC(CF)OCF 7a_100016041109_100015361967 [0,2,0,0,0,0|0,1,0]=3 469 B6R0.1 CC(CN)CO[13CH3] 34a_100000744482_200025704644 [0,2,0,0,0,0|1,0,0]=3 470 B6R0.1 CC(CN)OCF 34a_100000210904_100015361967 [0,2,0,0,0,0|1,0,0]=3 471 B6R0.1 CC(CO)CN[13CH3] 34a_100000744482_200025704644 [0,2,0,0,0,0|1,0,0]=3 472 B6R0.1 CC(CO)SCF 62a_100012180447_100015361967 [0,2,0,0,0,0|0,1,0]=3 473 B6R0.1 CCC(C)CNC 2230a_100020588543_200000210301 [0,2,0,0,0,0|2,0,0]=4 474 B6R0.1 CCC(C)CNC 2230a_106832991635_100000748023 [0,2,0,0,0,0|2,0,0]=4 475 B6R0.1 CCC(C)CNC 270004a_106832991635_100000243153 [0,2,0,0,0,0|2,0,0]=4 476 B6R0.1 CCC(C)CNC 34a_100102657272_100000748023 [0,2,0,0,0,0|2,0,0]=4 477 B6R0.1 CCC(C)CNC 7a_106832991635_100000748023 [0,2,0,0,0,0|2,0,0]=4 478 B6R0.1 CCC(C)CN[13CH3] 2230a_100020588543_200025704644 [0,2,0,0,0,0|2,0,0]=4 479 B6R0.1 CCC(C)COC 34a_100138415774_100000748023 [0,2,0,0,0,0|1,0,0]=3 480 B6R0.1 CCC(C)CSC 62a_100000748023_200000210301 [0,2,0,0,0,0|1,1,0]=4 481 B6R0.1 CCC(C)CSC 62a_200000210301_100000748023 [0,2,0,0,0,0|1,1,0]=4 482 B6R0.1 CCC(C)CS[13CH3] 62a_100000748023_200025704644 [0,2,0,0,0,0|1,1,0]=4 483 B6R0.1 CCC(C)CS[13CH3] 62a_200025704644_100000748023 [0,2,0,0,0,0|1,1,0]=4 484 B6R0.1 CCC(C)OCF 7a_100000210228_100015361967 [0,2,0,0,0,0|1,0,0]=3 485 B6R0.1 CCC(C)SCF 62a_100000758301_100015361967 [0,2,0,0,0,0|1,1,0]=4 486 B6R0.1 CCC(C)SCF 62a_100015361967_100000758301 [0,2,0,0,0,0|1,1,0]=4 487 B6R0.1 CCC(O)CNC 2230a_100011218483_200000210301 [0,2,0,0,0,0|1,0,0]=3 488 B6R0.1 CCC(O)CNC 2230a_106832991635_100011218378 [0,2,0,0,0,0|1,0,0]=3 489 B6R0.1 CCC(O)CNC 34a_100102657272_100011218378 [0,2,0,0,0,0|1,0,0]=3 490 B6R0.1 CCC(O)CNC 7a_106832991635_100011218378 [0,2,0,0,0,0|1,0,0]=3 491 B6R0.1 CCC(O)CN[13CH3] 2230a_100011218483_200025704644 [0,2,0,0,0,0|1,0,0]=3 492 B6R0.1 CCC(O)COC 34a_100138415774_100011218378 [0,2,0,0,0,0|1,0,0]=3 493 B6R0.1 CCC(O)CSC 62a_100011218378_200000210301 [0,2,0,0,0,0|1,0,0]=3 494 B6R0.1 CCC(O)CSC 62a_200000210301_100011218378 [0,2,0,0,0,0|1,0,0]=3 495 B6R0.1 CCC(O)CS[13CH3] 62a_100011218378_200025704644 [0,2,0,0,0,0|1,0,0]=3 496 B6R0.1 CCC(O)CS[13CH3] 62a_200025704644_100011218378 [0,2,0,0,0,0|1,0,0]=3 497 B6R0.1 CCCC(C)NC 2230a_100000741246_200000210301 [0,2,0,0,0,0|2,0,0]=4 498 B6R0.1 CCCC(C)NC 2230a_106832991635_100000766640 [0,2,0,0,0,0|2,0,0]=4 499 B6R0.1 CCCC(C)NC 270004a_106832991635_100000211909 [0,2,0,0,0,0|2,0,0]=4 500 B6R0.1 CCCC(C)NC 34a_100102657272_100000766640 [0,2,0,0,0,0|2,0,0]=4 501 B6R0.1 CCCC(C)NC 7a_106832991635_100000766640 [0,2,0,0,0,0|2,0,0]=4 502 B6R0.1 CCCC(C)N[13CH3] 2230a_100000741246_200025704644 [0,2,0,0,0,0|2,0,0]=4 503 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [0,2,0,0,0,0|1,0,0]=3 504 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [0,2,0,0,0,0|1,0,0]=3 505 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [0,2,0,0,0,0|1,0,0]=3 506 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [0,2,0,0,0,0|1,0,0]=3 507 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [0,2,0,0,0,0|1,0,0]=3 508 B6R0.1 CCCC(C)SC 62a_100000766640_200000210301 [0,2,0,0,0,0|1,1,0]=4 509 B6R0.1 CCCC(C)SC 62a_200000210301_100000766640 [0,2,0,0,0,0|1,1,0]=4 510 B6R0.1 CCCC(C)S[13CH3] 62a_100000766640_200025704644 [0,2,0,0,0,0|1,1,0]=4 511 B6R0.1 CCCC(C)S[13CH3] 62a_200025704644_100000766640 [0,2,0,0,0,0|1,1,0]=4 512 B6R0.1 CCN(C)CCO 2230a_100000210263_100000210202 [0,2,0,0,0,0|2,0,0]=4 513 B6R0.1 CCN(C)CCO 2230a_100000210973_200000210301 [0,2,0,0,0,0|2,0,0]=4 514 B6R0.1 CCN(C)CCO 2230a_100000225621_100000211926 [0,2,0,0,0,0|2,0,0]=4 515 B6R0.1 CCN(C)CCO 269982a_100000210263_100000204670 [0,2,0,0,0,0|2,0,0]=4 516 B6R0.1 CCN(C)CCO 269982a_100000210973_200000210301 [0,2,0,0,0,0|2,0,0]=4 517 B6R0.1 CCN(C)CCO 269982a_100000225621_100000211926 [0,2,0,0,0,0|2,0,0]=4 518 B6R0.1 CCN(C)COC 2230a_100000225621_100000766300 [0,2,0,0,0,0|2,0,0]=4 519 B6R0.1 CCN(C)COC 269982a_100000225621_100000766300 [0,2,0,0,0,0|2,0,0]=4 520 B6R0.1 CCN([13CH3])CCO 2230a_100000210973_200025704644 [0,2,0,0,0,0|2,0,0]=4 521 B6R0.1 CCN([13CH3])CCO 269982a_100000210973_200025704644 [0,2,0,0,0,0|2,0,0]=4 522 B6R0.1 CCNC(C)C#N 2230a_100000737613_100000210202 [0,2,0,0,0,0|2,0,0]=4 523 B6R0.1 CCNC(C)C#N 2230a_100015525214_100000184139 [0,2,0,0,0,0|2,0,0]=4 524 B6R0.1 CCNC(C)CC 2230a_100000209981_100000210202 [0,2,0,0,0,0|2,0,0]=4 525 B6R0.1 CCNC(C)CC 2230a_100015525214_100000758301 [0,2,0,0,0,0|2,0,0]=4 526 B6R0.1 CCNC(C)CO 2230a_100015525214_100012180447 [0,2,0,0,0,0|1,0,0]=3 527 B6R0.1 CCN[C@H](C)CO 2230a_100000737577_100000210202 [0,2,0,0,0,0|1,0,0]=3 528 B6R0.1 CCOC(C)C#N 34a_100011218135_100000210202 [0,2,0,0,0,0|1,0,1]=4 529 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [0,2,0,0,0,0|1,0,0]=3 530 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [0,2,0,0,0,0|1,0,0]=3 531 B6R0.1 CCOC(C)CF 34a_100016041109_100000210202 [0,2,0,0,0,0|0,1,0]=3 532 B6R0.1 CCOC(C)CF 7a_100016041109_100000210202 [0,2,0,0,0,0|0,1,0]=3 533 B6R0.1 CCOC(C)CN 34a_100000210904_100000210202 [0,2,0,0,0,0|1,0,0]=3 534 B6R0.1 CCOC(C)CO 34a_100121572206_100012180447 [0,2,0,0,0,0|1,0,0]=3 535 B6R0.1 CCSC(C)C#N 62a_100000210202_100000703298 [0,2,0,0,0,0|2,0,0]=4 536 B6R0.1 CCSC(C)C#N 62a_100000703298_100000210202 [0,2,0,0,0,0|2,0,0]=4 537 B6R0.1 CCSC(C)CC 62a_100000210202_100000758301 [0,2,0,0,0,0|1,1,0]=4 538 B6R0.1 CCSC(C)CC 62a_100000758301_100000210202 [0,2,0,0,0,0|1,1,0]=4 539 B6R0.1 CCSC(C)CO 62a_100012180447_100000210202 [0,2,0,0,0,0|1,0,0]=3 540 B6R0.1 CCSC(C)OC 62a_100000210202_100009879195 [0,2,0,0,0,0|1,0,0]=3 541 B6R0.1 CCSC(C)OC 62a_100009879195_100000210202 [0,2,0,0,0,0|1,0,0]=3 542 B6R0.1 CCS[C@H](C)CO 62a_100000210202_100016084084 [0,2,0,0,0,0|1,0,0]=3 543 B6R0.1 CCS[C@H](C)CO 62a_100016084084_100000210202 [0,2,0,0,0,0|1,0,0]=3 544 B6R0.1 CC[C@H](C)CNC 2230a_106832991635_100009816398 [0,2,0,0,0,0|2,0,0]=4 545 B6R0.1 CC[C@H](C)CNC 34a_100102657272_100009816398 [0,2,0,0,0,0|2,0,0]=4 546 B6R0.1 CC[C@H](C)CNC 7a_106832991635_100009816398 [0,2,0,0,0,0|2,0,0]=4 547 B6R0.1 CC[C@H](C)COC 34a_100138415774_100009816398 [0,2,0,0,0,0|1,0,0]=3 548 B6R0.1 CC[C@H](C)COC 7a_100009816381_200000210301 [0,2,0,0,0,0|1,0,0]=3 549 B6R0.1 CC[C@H](C)CO[13CH3] 7a_100009816381_200025704644 [0,2,0,0,0,0|1,0,0]=3 550 B6R0.1 CC[C@H](C)CSC 62a_100009816398_200000210301 [0,2,0,0,0,0|1,1,0]=4 551 B6R0.1 CC[C@H](C)CSC 62a_200000210301_100009816398 [0,2,0,0,0,0|1,1,0]=4 552 B6R0.1 CC[C@H](C)CS[13CH3] 62a_100009816398_200025704644 [0,2,0,0,0,0|1,1,0]=4 553 B6R0.1 CC[C@H](C)CS[13CH3] 62a_200025704644_100009816398 [0,2,0,0,0,0|1,1,0]=4 554 B6R0.1 CN(CF)CCO 269982a_100000210263_100015361967 [0,2,0,0,0,0|1,1,0]=4 555 B6R0.1 CNC(C)CC#N 2230a_106832991635_100009813641 [0,2,0,0,0,0|2,0,0]=4 556 B6R0.1 CNC(C)CC#N 7a_106832991635_100009813641 [0,2,0,0,0,0|2,0,0]=4 557 B6R0.1 CNC(C)CCO 2230a_106832991635_100009893172 [0,2,0,0,0,0|2,0,0]=4 558 B6R0.1 CNC(C)CCO 34a_100102657272_100009893172 [0,2,0,0,0,0|2,0,0]=4 559 B6R0.1 CNC(C)CCO 7a_106832991635_100009893172 [0,2,0,0,0,0|2,0,0]=4 560 B6R0.1 CNC(C)COC 2230a_106832991635_100000765312 [0,2,0,0,0,0|2,0,0]=4 561 B6R0.1 CNC(C)COC 270004a_106832991635_100000749346 [0,2,0,0,0,0|2,0,0]=4 562 B6R0.1 CNC(C)COC 34a_100102657272_100000765312 [0,2,0,0,0,0|2,0,0]=4 563 B6R0.1 CNC(C)COC 7a_106832991635_100000765312 [0,2,0,0,0,0|2,0,0]=4 564 B6R0.1 CNC(C)CSC 270004a_106832991635_100011216314 [0,2,0,0,0,0|2,0,0]=4 565 B6R0.1 CNCC(C)CO 34a_100000744482_200000210301 [0,2,0,0,0,0|1,0,0]=3 566 B6R0.1 CNCC(O)CO 2230a_106832991635_100011219619 [0,2,0,0,0,0|1,0,0]=3 567 B6R0.1 CNCC(O)CO 34a_100102657272_100011219619 [0,2,0,0,0,0|1,0,0]=3 568 B6R0.1 CNCC(O)CO 7a_106832991635_100011219619 [0,2,0,0,0,0|1,0,0]=3 569 B6R0.1 CNC[C@@H](C)CO 2230a_106832991635_100000059175 [0,2,0,0,0,0|1,0,0]=3 570 B6R0.1 CNC[C@@H](C)CO 34a_100102657272_100000059175 [0,2,0,0,0,0|1,0,0]=3 571 B6R0.1 CNC[C@@H](C)CO 7a_106832991635_100000059175 [0,2,0,0,0,0|1,0,0]=3 572 B6R0.1 CNC[C@@H](C)OC 2230a_100020591295_200000210301 [0,2,0,0,0,0|1,0,0]=3 573 B6R0.1 CNC[C@@H](F)CO 34a_100015665980_200000210301 [0,2,0,0,0,0|2,0,0]=4 574 B6R0.1 CNC[C@@H](O)CF 2230a_106832991635_100015614560 [0,2,0,0,0,0|0,1,0]=3 575 B6R0.1 CNC[C@@H](O)CF 34a_100102657272_100015614560 [0,2,0,0,0,0|0,1,0]=3 576 B6R0.1 CNC[C@@H](O)CF 7a_106832991635_100015614560 [0,2,0,0,0,0|0,1,0]=3 577 B6R0.1 CNC[C@@H](O)CO 2230a_106832991635_100009815848 [0,2,0,0,0,0|1,0,0]=3 578 B6R0.1 CNC[C@@H](O)CO 34a_100102657272_100009815848 [0,2,0,0,0,0|1,0,0]=3 579 B6R0.1 CNC[C@@H](O)CO 7a_106832991635_100009815848 [0,2,0,0,0,0|1,0,0]=3 580 B6R0.1 CNC[C@H](O)CO 2230a_100020644852_200000210301 [0,2,0,0,0,0|1,0,0]=3 581 B6R0.1 CN[C@@H](C)CC#N 2230a_100016994482_200000210301 [0,2,0,0,0,0|2,0,0]=4 582 B6R0.1 CN[C@H](C)CCO 2230a_100000706166_200000210301 [0,2,0,0,0,0|2,0,0]=4 583 B6R0.1 CN[C@H](C)CCO 34a_100000706166_200000210301 [0,2,0,0,0,0|2,0,0]=4 584 B6R0.1 CN[C@H](C)COC 2230a_100000764878_200000210301 [0,2,0,0,0,0|2,0,0]=4 585 B6R0.1 COC(C)CCBr 34a_100012276601_200000210301 [0,2,0,0,0,0|0,0,0]=2 586 B6R0.1 COC(C)CCO 34a_100138415774_100009893172 [0,2,0,0,0,0|1,0,0]=3 587 B6R0.1 COC(C)CO[13CH3] 34a_100000690652_200025704644 [0,2,0,0,0,0|1,0,0]=3 588 B6R0.1 COC(C)SCF 62a_100009879195_100015361967 [0,2,0,0,0,0|0,1,0]=3 589 B6R0.1 COC(C)SCF 62a_100015361967_100009879195 [0,2,0,0,0,0|0,1,0]=3 590 B6R0.1 COCC(C)CN 34a_100000744482_200000210301 [0,2,0,0,0,0|1,0,0]=3 591 B6R0.1 COCC(C)OC 34a_100000690652_200000210301 [0,2,0,0,0,0|1,0,0]=3 592 B6R0.1 COCC(C)OC 34a_100138415774_100000765312 [0,2,0,0,0,0|1,0,0]=3 593 B6R0.1 COCC(C)SC 62a_100000765312_200000210301 [0,2,0,0,0,0|1,1,0]=4 594 B6R0.1 COCC(C)SC 62a_200000210301_100000765312 [0,2,0,0,0,0|1,1,0]=4 595 B6R0.1 COCC(C)S[13CH3] 62a_100000765312_200025704644 [0,2,0,0,0,0|1,1,0]=4 596 B6R0.1 COCC(C)S[13CH3] 62a_200025704644_100000765312 [0,2,0,0,0,0|1,1,0]=4 597 B6R0.1 COCC(Cl)CCl 34a_100000033668_200000210301 [0,2,0,0,0,0|1,1,0]=4 598 B6R0.1 COCC(O)CO 34a_100138415774_100011219619 [0,2,0,0,0,0|1,0,0]=3 599 B6R0.1 COC[C@@H](C)CO 34a_100138415774_100000059175 [0,2,0,0,0,0|1,0,0]=3 600 B6R0.1 COC[C@@H](C)N[13CH3] 2230a_100000764878_200025704644 [0,2,0,0,0,0|2,0,0]=4 601 B6R0.1 COC[C@@H](C)OC 34a_100011934205_200000210301 [0,2,0,0,0,0|1,0,0]=3 602 B6R0.1 COC[C@@H](C)O[13CH3] 34a_100011934205_200025704644 [0,2,0,0,0,0|1,0,0]=3 603 B6R0.1 COC[C@@H](O)CF 34a_100138415774_100015614560 [0,2,0,0,0,0|0,1,0]=3 604 B6R0.1 COC[C@@H](O)CO 34a_100138415774_100009815848 [0,2,0,0,0,0|1,0,0]=3 605 B6R0.1 COC[C@H](F)CN 34a_100015665980_200000210301 [0,2,0,0,0,0|2,0,0]=4 606 B6R0.1 CO[C@H](C)CN[13CH3] 2230a_100020591295_200025704644 [0,2,0,0,0,0|1,0,0]=3 607 B6R0.1 CSC(C)CC#N 62a_100009813641_200000210301 [0,2,0,0,0,0|1,1,0]=4 608 B6R0.1 CSC(C)CC#N 62a_200000210301_100009813641 [0,2,0,0,0,0|1,1,0]=4 609 B6R0.1 CSC(C)CCO 62a_100009893172_200000210301 [0,2,0,0,0,0|1,1,0]=4 610 B6R0.1 CSC(C)CCO 62a_200000210301_100009893172 [0,2,0,0,0,0|1,1,0]=4 611 B6R0.1 CSCC(O)CO 62a_100011219619_200000210301 [0,2,0,0,0,0|1,0,0]=3 612 B6R0.1 CSCC(O)CO 62a_200000210301_100011219619 [0,2,0,0,0,0|1,0,0]=3 613 B6R0.1 CSC[C@@H](C)CO 62a_100000059175_200000210301 [0,2,0,0,0,0|1,0,0]=3 614 B6R0.1 CSC[C@@H](C)CO 62a_200000210301_100000059175 [0,2,0,0,0,0|1,0,0]=3 615 B6R0.1 CSC[C@@H](O)CF 62a_100015614560_200000210301 [0,2,0,0,0,0|0,1,0]=3 616 B6R0.1 CSC[C@@H](O)CF 62a_200000210301_100015614560 [0,2,0,0,0,0|0,1,0]=3 617 B6R0.1 CSC[C@@H](O)CO 62a_100009815848_200000210301 [0,2,0,0,0,0|1,0,0]=3 618 B6R0.1 CSC[C@@H](O)CO 62a_200000210301_100009815848 [0,2,0,0,0,0|1,0,0]=3 619 B6R0.1 C[C@@H](CC#N)N[13CH3] 2230a_100016994482_200025704644 [0,2,0,0,0,0|2,0,0]=4 620 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_100000059175_200025704644 [0,2,0,0,0,0|1,0,0]=3 621 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_200025704644_100000059175 [0,2,0,0,0,0|1,0,0]=3 622 B6R0.1 C[C@H](CCO)N[13CH3] 2230a_100000706166_200025704644 [0,2,0,0,0,0|2,0,0]=4 623 B6R0.1 C[C@H](CCO)N[13CH3] 34a_100000706166_200025704644 [0,2,0,0,0,0|2,0,0]=4 624 B6R0.1 C[C@H](CO)SCF 62a_100015361967_100016084084 [0,2,0,0,0,0|0,1,0]=3 625 B6R0.1 C[C@H](CO)SCF 62a_100016084084_100015361967 [0,2,0,0,0,0|0,1,0]=3 626 B6R0.1 [13CH3]NC[C@@H](F)CO 34a_100015665980_200025704644 [0,2,0,0,0,0|2,0,0]=4 627 B6R0.1 [13CH3]NC[C@H](O)CO 2230a_100020644852_200025704644 [0,2,0,0,0,0|1,0,0]=3 628 B6R0.1 [13CH3]OCC(Cl)CCl 34a_100000033668_200025704644 [0,2,0,0,0,0|1,1,0]=4 629 B6R0.1 [13CH3]OC[C@H](F)CN 34a_100015665980_200025704644 [0,2,0,0,0,0|2,0,0]=4 630 B6R0.1 [13CH3]SCC(O)CO 62a_100011219619_200025704644 [0,2,0,0,0,0|1,0,0]=3 631 B6R0.1 [13CH3]SCC(O)CO 62a_200025704644_100011219619 [0,2,0,0,0,0|1,0,0]=3 632 B6R0.1 [13CH3]SC[C@@H](O)CF 62a_100015614560_200025704644 [0,2,0,0,0,0|0,1,0]=3 633 B6R0.1 [13CH3]SC[C@@H](O)CF 62a_200025704644_100015614560 [0,2,0,0,0,0|0,1,0]=3 634 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_100009815848_200025704644 [0,2,0,0,0,0|1,0,0]=3 635 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_200025704644_100009815848 [0,2,0,0,0,0|1,0,0]=3 636 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [0,2,0,0,0,0|2,0,0]=4 637 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [0,2,0,0,0,0|2,0,0]=4 638 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [0,2,0,0,0,0|1,0,0]=3 639 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [0,2,0,0,0,0|1,0,0]=3 640 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [0,2,0,0,0,0|2,0,0]=4 641 B6R0.2 CC(C)CN(C)C 2230a_100000747067_200000210301 [0,2,0,0,0,0|2,0,0]=4 642 B6R0.2 CC(C)CN(C)C 2230a_100102631434_100000210760 [0,2,0,0,0,0|2,0,0]=4 643 B6R0.2 CC(C)CN(C)C 269982a_100000747067_200000210301 [0,2,0,0,0,0|2,0,0]=4 644 B6R0.2 CC(C)CN(C)C 269982a_100102631434_100000210624 [0,2,0,0,0,0|2,0,0]=4 645 B6R0.2 CC(C)CN(C)C 270004a_100102631434_100000210432 [0,2,0,0,0,0|2,0,0]=4 646 B6R0.2 CC(C)CN(C)[13CH3] 2230a_100000747067_200025704644 [0,2,0,0,0,0|2,0,0]=4 647 B6R0.2 CC(C)CN(C)[13CH3] 269982a_100000747067_200025704644 [0,2,0,0,0,0|2,0,0]=4 648 B6R0.2 CC(C)NC(C)C 2230a_100138425928_100000210206 [0,2,0,0,0,0|2,0,0]=4 649 B6R0.2 CC(C)NC(C)C 34a_100138425928_100000210206 [0,2,0,0,0,0|2,0,0]=4 650 B6R0.2 CC(C)OC(C)C 34a_100000212225_100000210206 [0,2,0,0,0,0|2,0,0]=4 651 B6R0.2 CC(C)SC(C)C 62a_100000210206_100000210206 [0,2,0,0,0,0|2,0,0]=4 652 B6R0.2 CC(O)CN(C)C 2230a_100000227577_200000210301 [0,2,0,0,0,0|1,0,0]=3 653 B6R0.2 CC(O)CN(C)C 2230a_100102631434_100011218427 [0,2,0,0,0,0|1,0,0]=3 654 B6R0.2 CC(O)CN(C)C 269982a_100000227577_200000210301 [0,2,0,0,0,0|1,0,0]=3 655 B6R0.2 CC(O)CN(C)C 269982a_100102631434_100011218427 [0,2,0,0,0,0|1,0,0]=3 656 B6R0.2 CC(O)CN(C)[13CH3] 2230a_100000227577_200025704644 [0,2,0,0,0,0|1,0,0]=3 657 B6R0.2 CC(O)CN(C)[13CH3] 269982a_100000227577_200025704644 [0,2,0,0,0,0|1,0,0]=3 658 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [0,2,0,0,0,0|1,0,0]=3 659 B6R0.2 C[C@@H](O)CN(C)C 2230a_100102631434_100009817552 [0,2,0,0,0,0|1,0,0]=3 660 B6R0.2 C[C@@H](O)CN(C)C 269982a_100102631434_100009817552 [0,2,0,0,0,0|1,0,0]=3 661 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [0,2,0,0,0,0|1,0,1]=4 662 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [0,2,0,0,0,0|1,0,0]=3 663 B6R0.3 CC(C)C(=O)CF 1458a_100000210198_100015361967 [0,2,0,0,0,0|1,1,0]=4 664 B6R0.3 CC(C)C(=O)CO 1458a_100000210174_100000210206 [0,2,0,0,0,0|2,0,0]=4 665 B6R0.3 CC(C)C(C)N[13CH3] 2230a_100000211541_200025704644 [0,2,0,0,0,0|2,0,0]=4 666 B6R0.3 CC(C)C(C)O[13CH3] 7a_100000748068_200025704644 [0,2,0,0,0,0|1,0,0]=3 667 B6R0.3 CC(C)N(C)CF 269982a_200000211004_100015361967 [0,2,0,0,0,0|1,1,0]=4 668 B6R0.3 CC(CO)N(C)C 2230a_100000693034_200000210301 [0,2,0,0,0,0|2,0,0]=4 669 B6R0.3 CC(CO)N(C)C 2230a_100102631434_100012180447 [0,2,0,0,0,0|2,0,0]=4 670 B6R0.3 CC(CO)N(C)C 269982a_100000693034_200000210301 [0,2,0,0,0,0|2,0,0]=4 671 B6R0.3 CC(CO)N(C)[13CH3] 2230a_100000693034_200025704644 [0,2,0,0,0,0|2,0,0]=4 672 B6R0.3 CC(CO)N(C)[13CH3] 269982a_100000693034_200025704644 [0,2,0,0,0,0|2,0,0]=4 673 B6R0.3 CC(F)C(=O)CF 1458a_100000062450_100015361967 [0,2,0,0,0,0|1,1,0]=4 674 B6R0.3 CCC(=O)C(C)C 1458a_100000210198_100000210202 [0,2,0,0,0,0|2,0,0]=4 675 B6R0.3 CCC(=O)C(C)C 1458a_100000210414_100000210206 [0,2,0,0,0,0|2,0,0]=4 676 B6R0.3 CCC(=O)C(C)F 1458a_100000062450_100000210202 [0,2,0,0,0,0|2,0,0]=4 677 B6R0.3 CCC(=O)C(O)O 1458a_100000233687_100000210202 [0,2,0,0,0,0|2,0,0]=4 678 B6R0.3 CCC(=O)[C@@H](C)O 1458a_100000717761_100000210202 [0,2,0,0,0,0|1,0,0]=3 679 B6R0.3 CCC(=O)[C@H](C)O 1458a_217856618621_100000210202 [0,2,0,0,0,0|1,0,0]=3 680 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [0,2,0,0,0,0|1,0,1]=4 681 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [0,2,0,0,0,0|1,0,1]=4 682 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [0,2,0,0,0,0|1,0,1]=4 683 B6R0.3 CCC(C)N(C)C 2230a_100000741768_200000210301 [0,2,0,0,0,0|2,0,0]=4 684 B6R0.3 CCC(C)N(C)C 2230a_100102631434_100000758301 [0,2,0,0,0,0|2,0,0]=4 685 B6R0.3 CCC(C)N(C)C 269982a_100000741768_200000210301 [0,2,0,0,0,0|2,0,0]=4 686 B6R0.3 CCC(C)N(C)C 269982a_100102631434_100000758301 [0,2,0,0,0,0|2,0,0]=4 687 B6R0.3 CCC(C)N(C)[13CH3] 2230a_100000741768_200025704644 [0,2,0,0,0,0|2,0,0]=4 688 B6R0.3 CCC(C)N(C)[13CH3] 269982a_100000741768_200025704644 [0,2,0,0,0,0|2,0,0]=4 689 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [0,2,0,0,0,0|1,0,0]=3 690 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [0,2,0,0,0,0|1,0,0]=3 691 B6R0.3 CCN(C)C(C)C 2230a_100000223864_200000210301 [0,2,0,0,0,0|2,0,0]=4 692 B6R0.3 CCN(C)C(C)C 2230a_100000225621_100000210206 [0,2,0,0,0,0|2,0,0]=4 693 B6R0.3 CCN(C)C(C)C 269982a_100000223864_200000210301 [0,2,0,0,0,0|2,0,0]=4 694 B6R0.3 CCN(C)C(C)C 269982a_100000225621_100000210206 [0,2,0,0,0,0|2,0,0]=4 695 B6R0.3 CCN(C)C(C)C 269982a_200000211004_100000204670 [0,2,0,0,0,0|2,0,0]=4 696 B6R0.3 CCN([13CH3])C(C)C 2230a_100000223864_200025704644 [0,2,0,0,0,0|2,0,0]=4 697 B6R0.3 CCN([13CH3])C(C)C 269982a_100000223864_200025704644 [0,2,0,0,0,0|2,0,0]=4 698 B6R0.3 CNC(=O)[C@@H](C)O 240690a_100102657272_100000717761 [0,2,0,0,0,0|1,0,1]=4 699 B6R0.3 CNC(=O)[C@H](C)O 1626a_100102657272_217856618621 [0,2,0,0,0,0|1,0,1]=4 700 B6R0.3 CNC(=O)[C@H](C)O 240690a_100102657272_217856618621 [0,2,0,0,0,0|1,0,1]=4 701 B6R0.3 CNC(C)C(C)C 2230a_100000211541_200000210301 [0,2,0,0,0,0|2,0,0]=4 702 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [0,2,0,0,0,0|2,0,0]=4 703 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [0,2,0,0,0,0|1,0,1]=4 704 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [0,2,0,0,0,0|1,0,1]=4 705 B6R0.3 COC(C)C(=O)N 34a_100138415774_100000702099 [0,2,0,0,0,0|1,0,1]=4 706 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [0,2,0,0,0,0|1,0,1]=4 707 B6R0.3 COC(C)C(C)C 7a_100000748068_200000210301 [0,2,0,0,0,0|1,0,0]=3 708 B6R0.3 COC(C)N(C)C 269982a_100102631434_100009879195 [0,2,0,0,0,0|2,0,0]=4 709 B6R0.3 CO[C@@H](C)C(=O)[O-] 7a_217856618621_200000210301 [0,2,0,0,0,0|1,0,1]=4 710 B6R0.3 CO[C@H](C)C(=O)N 34a_100000731257_200000210301 [0,2,0,0,0,0|1,0,1]=4 711 B6R0.3 CO[C@H](C)C(=O)N 7a_100000731257_200000210301 [0,2,0,0,0,0|1,0,1]=4 712 B6R0.3 C[C@@H](O)C(=O)CF 1458a_100000717761_100015361967 [0,2,0,0,0,0|0,1,0]=3 713 B6R0.3 C[C@@H](O[13CH3])C(=O)N 34a_100000731257_200025704644 [0,2,0,0,0,0|1,0,1]=4 714 B6R0.3 C[C@@H](O[13CH3])C(=O)N 7a_100000731257_200025704644 [0,2,0,0,0,0|1,0,1]=4 715 B6R0.3 C[C@H](CO)N(C)C 269982a_100102631434_100016084084 [0,2,0,0,0,0|2,0,0]=4 716 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [0,2,0,0,0,0|2,0,0]=4 717 B6R0.3 C[C@H](O)C(=O)CF 1458a_217856618621_100015361967 [0,2,0,0,0,0|0,1,0]=3 718 B6R0.3 C[C@H](O[13CH3])C(=O)[O-] 7a_217856618621_200025704644 [0,2,0,0,0,0|1,0,1]=4 719 B6R0.3 O=C(CF)C(O)O 1458a_100000233687_100015361967 [0,2,0,0,0,0|1,1,0]=4 720 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [0,2,0,0,0,0|1,0,0]=3 721 B6R0.4 C#CCNC(C)C 2230a_100138425928_100000038162 [0,2,0,0,0,0|2,0,0]=4 722 B6R0.4 C#CCNC(C)C 34a_100000212058_100000210206 [0,2,0,0,0,0|2,0,0]=4 723 B6R0.4 C#CCNC(C)C 34a_100138425928_100000184674 [0,2,0,0,0,0|2,0,0]=4 724 B6R0.4 C#CCOC(C)C 34a_100000210247_100000210206 [0,2,0,0,0,0|2,0,0]=4 725 B6R0.4 C#CCOC(C)C 34a_100000212225_100000184674 [0,2,0,0,0,0|2,0,0]=4 726 B6R0.4 C#CCSC(C)C 62a_100000038162_100000210206 [0,2,0,0,0,0|2,0,0]=4 727 B6R0.4 C=CCNC(C)C 2230a_100020586998_100000210206 [0,2,0,0,0,0|2,0,0]=4 728 B6R0.4 C=CCNC(C)C 2230a_100138425928_100000210623 [0,2,0,0,0,0|2,0,0]=4 729 B6R0.4 C=CCNC(C)C 34a_100138425928_100015514636 [0,2,0,0,0,0|2,0,0]=4 730 B6R0.4 C=CCOC(C)C 34a_100000212225_100015514636 [0,2,0,0,0,0|2,0,0]=4 731 B6R0.4 C=CCOC(C)C 34a_200000210373_100000210206 [0,2,0,0,0,0|2,0,0]=4 732 B6R0.4 C=CCSC(C)C 62a_100000210206_100000210623 [0,2,0,0,0,0|2,0,0]=4 733 B6R0.4 C=CCSC(C)C 62a_100000210623_100000210206 [0,2,0,0,0,0|2,0,0]=4 734 B6R0.4 CC(Br)CCO[13CH3] 34a_100009893172_200025704644 [0,2,0,0,0,0|2,0,0]=4 735 B6R0.4 CC(Br)COCF 34a_100012180447_100015361967 [0,2,0,0,0,0|1,1,0]=4 736 B6R0.4 CC(C)CCO[13CH3] 34a_100000210254_200025704644 [0,2,0,0,0,0|2,0,0]=4 737 B6R0.4 CC(C)CCO[13CH3] 7a_100000210254_200025704644 [0,2,0,0,0,0|2,0,0]=4 738 B6R0.4 CC(C)CCS[13CH3] 62a_100000210312_200025704644 [0,2,0,0,0,0|2,0,0]=4 739 B6R0.4 CC(C)CCS[13CH3] 62a_200025704644_100000210312 [0,2,0,0,0,0|2,0,0]=4 740 B6R0.4 CC(C)CNCF 34a_100000210953_100015361967 [0,2,0,0,0,0|1,1,0]=4 741 B6R0.4 CC(C)COCF 34a_100000210257_100015361967 [0,2,0,0,0,0|1,1,0]=4 742 B6R0.4 CC(C)CSCF 62a_100000210624_100015361967 [0,2,0,0,0,0|1,1,0]=4 743 B6R0.4 CC(C)CSCF 62a_100015361967_100000210760 [0,2,0,0,0,0|1,1,0]=4 744 B6R0.4 CC(C)NCC#N 2230a_100138425928_100011215382 [0,2,0,0,0,0|2,0,0]=4 745 B6R0.4 CC(C)NCC=O 2230a_100138425928_200015260668 [0,2,0,0,0,0|2,0,0]=4 746 B6R0.4 CC(C)NCC=O 34a_100138425928_200009817547 [0,2,0,0,0,0|2,0,0]=4 747 B6R0.4 CC(C)NCCF 2230a_100138425928_100011217306 [0,2,0,0,0,0|1,1,0]=4 748 B6R0.4 CC(C)NCCF 34a_100000724931_100000210206 [0,2,0,0,0,0|1,1,0]=4 749 B6R0.4 CC(C)NCCF 34a_100138425928_100011217306 [0,2,0,0,0,0|1,1,0]=4 750 B6R0.4 CC(C)NCCO 2230a_100016997473_100000210206 [0,2,0,0,0,0|2,0,0]=4 751 B6R0.4 CC(C)NCCO 2230a_100138425928_100000211926 [0,2,0,0,0,0|2,0,0]=4 752 B6R0.4 CC(C)NCCO 34a_100016990907_100000210206 [0,2,0,0,0,0|2,0,0]=4 753 B6R0.4 CC(C)NCCO 34a_100138425928_100000211926 [0,2,0,0,0,0|2,0,0]=4 754 B6R0.4 CC(C)OCC=O 34a_100000212225_200009817547 [0,2,0,0,0,0|2,0,0]=4 755 B6R0.4 CC(C)OCCBr 34a_100000211926_100000210206 [0,2,0,0,0,0|1,0,0]=3 756 B6R0.4 CC(C)OCCF 34a_100000212225_100011217306 [0,2,0,0,0,0|1,1,0]=4 757 B6R0.4 CC(C)OCCN 34a_100000210304_100000210206 [0,2,0,0,0,0|2,0,0]=4 758 B6R0.4 CC(C)OCCO 34a_100000212225_100000211926 [0,2,0,0,0,0|2,0,0]=4 759 B6R0.4 CC(C)OCS[13CH3] 62a_100000709892_200025704644 [0,2,0,0,0,0|2,0,0]=4 760 B6R0.4 CC(C)OCS[13CH3] 62a_200025704644_100000709892 [0,2,0,0,0,0|2,0,0]=4 761 B6R0.4 CC(C)SCC#N 62a_100000210206_100011215382 [0,2,0,0,0,0|2,0,0]=4 762 B6R0.4 CC(C)SCC#N 62a_100011215382_100000210206 [0,2,0,0,0,0|2,0,0]=4 763 B6R0.4 CC(C)SCC=O 62a_100000210206_200015260668 [0,2,0,0,0,0|2,0,0]=4 764 B6R0.4 CC(C)SCC=O 62a_200015260668_100000210206 [0,2,0,0,0,0|2,0,0]=4 765 B6R0.4 CC(C)SCCF 62a_100000210206_100011217306 [0,2,0,0,0,0|1,1,0]=4 766 B6R0.4 CC(C)SCCF 62a_100011217306_100000210206 [0,2,0,0,0,0|1,1,0]=4 767 B6R0.4 CC(C)SCCO 62a_100000210206_100000211926 [0,2,0,0,0,0|2,0,0]=4 768 B6R0.4 CC(C)SCCO 62a_100000211926_100000210206 [0,2,0,0,0,0|2,0,0]=4 769 B6R0.4 CC(F)COCF 34a_100015925927_100015361967 [0,2,0,0,0,0|1,1,0]=4 770 B6R0.4 CC(O)CCN[13CH3] 2230a_200000755665_200025704644 [0,2,0,0,0,0|1,0,0]=3 771 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [0,2,0,0,0,0|1,0,0]=3 772 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [0,2,0,0,0,0|1,0,0]=3 773 B6R0.4 CC(O)CNCF 34a_100000210904_100015361967 [0,2,0,0,0,0|0,1,0]=3 774 B6R0.4 CC(O)CSCF 62a_100011218427_100015361967 [0,2,0,0,0,0|0,1,0]=3 775 B6R0.4 CC(O)CSCF 62a_100015361967_100011218427 [0,2,0,0,0,0|0,1,0]=3 776 B6R0.4 CCCNC(C)C 2230a_100138425928_100000210303 [0,2,0,0,0,0|2,0,0]=4 777 B6R0.4 CCCNC(C)C 34a_100138425928_100000210303 [0,2,0,0,0,0|2,0,0]=4 778 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [0,2,0,0,0,0|2,0,0]=4 779 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [0,2,0,0,0,0|2,0,0]=4 780 B6R0.4 CCCSC(C)C 62a_100000210206_100000210303 [0,2,0,0,0,0|2,0,0]=4 781 B6R0.4 CCCSC(C)C 62a_100000210303_100000210206 [0,2,0,0,0,0|2,0,0]=4 782 B6R0.4 CCNCC(C)C 2230a_100000210953_100000210202 [0,2,0,0,0,0|2,0,0]=4 783 B6R0.4 CCNCC(C)C 2230a_100015525214_100000210760 [0,2,0,0,0,0|2,0,0]=4 784 B6R0.4 CCNCC(C)C 270004a_100015525214_100000210432 [0,2,0,0,0,0|2,0,0]=4 785 B6R0.4 CCNCC(C)C 34a_100000210953_100000210202 [0,2,0,0,0,0|2,0,0]=4 786 B6R0.4 CCNCC(C)O 2230a_100000210904_100000210202 [0,2,0,0,0,0|1,0,0]=3 787 B6R0.4 CCNCC(C)O 2230a_100015525214_100011218427 [0,2,0,0,0,0|1,0,0]=3 788 B6R0.4 CCNCC(C)O 34a_100000210904_100000210202 [0,2,0,0,0,0|1,0,0]=3 789 B6R0.4 CCNC[C@@H](C)O 2230a_100015525214_100009817552 [0,2,0,0,0,0|1,0,0]=3 790 B6R0.4 CCOCC(C)Br 34a_100012180447_100000210202 [0,2,0,0,0,0|2,0,0]=4 791 B6R0.4 CCOCC(C)C 34a_100000210257_100000210202 [0,2,0,0,0,0|2,0,0]=4 792 B6R0.4 CCOCC(C)C 34a_100121572206_100000210624 [0,2,0,0,0,0|2,0,0]=4 793 B6R0.4 CCOCC(C)F 34a_100015925927_100000210202 [0,2,0,0,0,0|2,0,0]=4 794 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [0,2,0,0,0,0|1,0,0]=3 795 B6R0.4 CCOC[C@@H](C)Cl 34a_100016084084_100000210202 [0,2,0,0,0,0|2,0,0]=4 796 B6R0.4 CCOC[C@@H](C)N 34a_100000737577_100000210202 [0,2,0,0,0,0|2,0,0]=4 797 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [0,2,0,0,0,0|1,0,0]=3 798 B6R0.4 CCSCC(C)C 62a_100000210202_100000210760 [0,2,0,0,0,0|2,0,0]=4 799 B6R0.4 CCSCC(C)C 62a_100000210624_100000210202 [0,2,0,0,0,0|2,0,0]=4 800 B6R0.4 CCSCC(C)O 62a_100000210202_100011218427 [0,2,0,0,0,0|1,0,0]=3 801 B6R0.4 CCSCC(C)O 62a_100011218427_100000210202 [0,2,0,0,0,0|1,0,0]=3 802 B6R0.4 CCSC[C@@H](C)O 62a_100000210202_100009817552 [0,2,0,0,0,0|1,0,0]=3 803 B6R0.4 CCSC[C@@H](C)O 62a_100009817552_100000210202 [0,2,0,0,0,0|1,0,0]=3 804 B6R0.4 CNCCC(C)C 2230a_106832991635_100000210312 [0,2,0,0,0,0|2,0,0]=4 805 B6R0.4 CNCCC(C)C 269862a_106832991636_100000185833 [0,2,0,0,0,0|2,0,0]=4 806 B6R0.4 CNCCC(C)C 34a_100102657272_100000210312 [0,2,0,0,0,0|2,0,0]=4 807 B6R0.4 CNCCC(C)C 7a_106832991635_100000210626 [0,2,0,0,0,0|2,0,0]=4 808 B6R0.4 CNCCC(C)O 2230a_106832991635_100012276601 [0,2,0,0,0,0|1,0,0]=3 809 B6R0.4 CNCCC(C)O 2230a_200000755665_200000210301 [0,2,0,0,0,0|1,0,0]=3 810 B6R0.4 CNCCC(C)O 34a_100102657272_100012276601 [0,2,0,0,0,0|1,0,0]=3 811 B6R0.4 CNCCC(C)O 7a_106832991635_100012276601 [0,2,0,0,0,0|1,0,0]=3 812 B6R0.4 CNCOC(C)C 2230a_106832991635_100000709892 [0,2,0,0,0,0|2,0,0]=4 813 B6R0.4 CNCOC(C)C 34a_100102657272_100000709892 [0,2,0,0,0,0|2,0,0]=4 814 B6R0.4 COCCC(C)Br 34a_100009893172_200000210301 [0,2,0,0,0,0|2,0,0]=4 815 B6R0.4 COCCC(C)C 34a_100000210254_200000210301 [0,2,0,0,0,0|2,0,0]=4 816 B6R0.4 COCCC(C)C 34a_100138415774_100000210312 [0,2,0,0,0,0|2,0,0]=4 817 B6R0.4 COCCC(C)C 7a_100000210254_200000210301 [0,2,0,0,0,0|2,0,0]=4 818 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [0,2,0,0,0,0|1,0,0]=3 819 B6R0.4 COCC[C@@H](C)N 34a_100000706166_200000210301 [0,2,0,0,0,0|2,0,0]=4 820 B6R0.4 COCNC(C)C 2230a_100138425928_100000766300 [0,2,0,0,0,0|2,0,0]=4 821 B6R0.4 COCOC(C)C 34a_100138415774_100000709892 [0,2,0,0,0,0|2,0,0]=4 822 B6R0.4 COCSC(C)C 62a_100000210206_100000766300 [0,2,0,0,0,0|2,0,0]=4 823 B6R0.4 COCSC(C)C 62a_100000766300_100000210206 [0,2,0,0,0,0|2,0,0]=4 824 B6R0.4 CSCCC(C)C 62a_100000210312_200000210301 [0,2,0,0,0,0|2,0,0]=4 825 B6R0.4 CSCCC(C)C 62a_200000210301_100000210312 [0,2,0,0,0,0|2,0,0]=4 826 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [0,2,0,0,0,0|1,0,0]=3 827 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [0,2,0,0,0,0|1,0,0]=3 828 B6R0.4 CSCNC(C)C 2230a_100138425928_100011218213 [0,2,0,0,0,0|2,0,0]=4 829 B6R0.4 CSCNC(C)C 34a_100138425928_100011218213 [0,2,0,0,0,0|2,0,0]=4 830 B6R0.4 CSCOC(C)C 34a_100000212225_100011218213 [0,2,0,0,0,0|2,0,0]=4 831 B6R0.4 CSCOC(C)C 62a_100000709892_200000210301 [0,2,0,0,0,0|2,0,0]=4 832 B6R0.4 CSCOC(C)C 62a_200000210301_100000709892 [0,2,0,0,0,0|2,0,0]=4 833 B6R0.4 CSCSC(C)C 62a_100000210206_100011218213 [0,2,0,0,0,0|2,0,0]=4 834 B6R0.4 CSCSC(C)C 62a_100011218213_100000210206 [0,2,0,0,0,0|2,0,0]=4 835 B6R0.4 C[C@@H](Cl)COCF 34a_100016084084_100015361967 [0,2,0,0,0,0|1,1,0]=4 836 B6R0.4 C[C@@H](N)CCO[13CH3] 34a_100000706166_200025704644 [0,2,0,0,0,0|2,0,0]=4 837 B6R0.4 C[C@@H](N)COCF 34a_100000737577_100015361967 [0,2,0,0,0,0|1,1,0]=4 838 B6R0.4 C[C@@H](O)CSCF 62a_100009817552_100015361967 [0,2,0,0,0,0|0,1,0]=3 839 B6R0.4 C[C@@H](O)CSCF 62a_100015361967_100009817552 [0,2,0,0,0,0|0,1,0]=3 840 B6R0.5 CC(C)(C)CN[13CH3] 2230a_100000743828_200025704644 [0,2,0,0,0,0|2,0,0]=4 841 B6R0.5 CC(C)(C)CS[13CH3] 62a_100011219605_200025704644 [0,2,0,0,0,0|2,0,0]=4 842 B6R0.5 CC(C)(C)CS[13CH3] 62a_200025704644_100011219605 [0,2,0,0,0,0|2,0,0]=4 843 B6R0.5 CC(C)(C)OCF 34a_100015890283_100015361967 [0,2,0,0,0,0|1,1,0]=4 844 B6R0.5 CC(C)(C)OCF 7a_100015890283_100015361967 [0,2,0,0,0,0|1,1,0]=4 845 B6R0.5 CC(C)(C)SCF 62a_100000211941_100015361967 [0,2,0,0,0,0|1,1,0]=4 846 B6R0.5 CC(C)(C)SCF 62a_100015361967_100000211941 [0,2,0,0,0,0|1,1,0]=4 847 B6R0.5 CC(C)(F)CN[13CH3] 2230a_100020643315_200025704644 [0,2,0,0,0,0|2,0,0]=4 848 B6R0.5 CC(C)(F)CO[13CH3] 34a_100000716592_200025704644 [0,2,0,0,0,0|2,0,0]=4 849 B6R0.5 CC(C)(F)CS[13CH3] 62a_100011997219_200025704644 [0,2,0,0,0,0|2,0,0]=4 850 B6R0.5 CC(C)(F)CS[13CH3] 62a_200025704644_100011997219 [0,2,0,0,0,0|2,0,0]=4 851 B6R0.5 CC(C)(O)CN[13CH3] 2230a_100000751335_200025704644 [0,2,0,0,0,0|1,0,0]=3 852 B6R0.5 CC(C)(O)CS[13CH3] 62a_100000764493_200025704644 [0,2,0,0,0,0|1,0,0]=3 853 B6R0.5 CC(C)(O)CS[13CH3] 62a_200025704644_100000764493 [0,2,0,0,0,0|1,0,0]=3 854 B6R0.5 CC(F)(F)CO[13CH3] 34a_100000068830_200025704644 [0,2,0,0,0,0|2,0,0]=4 855 B6R0.5 CCNC(C)(C)C 2230a_100000715429_100000210202 [0,2,0,0,0,0|2,0,0]=4 856 B6R0.5 CCOC(C)(C)C 34a_100015890283_100000210202 [0,2,0,0,0,0|2,0,0]=4 857 B6R0.5 CCOC(C)(C)C 34a_100121572206_100000210625 [0,2,0,0,0,0|2,0,0]=4 858 B6R0.5 CCOC(C)(C)C 7a_100015890283_100000210202 [0,2,0,0,0,0|2,0,0]=4 859 B6R0.5 CCSC(C)(C)C 62a_100000210202_100000211941 [0,2,0,0,0,0|2,0,0]=4 860 B6R0.5 CCSC(C)(C)C 62a_100000211941_100000210202 [0,2,0,0,0,0|2,0,0]=4 861 B6R0.5 CNCC(C)(C)C 2230a_100000743828_200000210301 [0,2,0,0,0,0|2,0,0]=4 862 B6R0.5 CNCC(C)(C)C 270004a_106832991635_100011204126 [0,2,0,0,0,0|2,0,0]=4 863 B6R0.5 CNCC(C)(C)C 34a_100102657272_100011219605 [0,2,0,0,0,0|2,0,0]=4 864 B6R0.5 CNCC(C)(C)F 2230a_100020643315_200000210301 [0,2,0,0,0,0|2,0,0]=4 865 B6R0.5 CNCC(C)(C)F 34a_100102657272_100011997219 [0,2,0,0,0,0|2,0,0]=4 866 B6R0.5 CNCC(C)(C)O 2230a_100000751335_200000210301 [0,2,0,0,0,0|1,0,0]=3 867 B6R0.5 CNCC(C)(C)O 34a_100102657272_100000764493 [0,2,0,0,0,0|1,0,0]=3 868 B6R0.5 CNCC(C)(C)O 7a_106832991635_100000764493 [0,2,0,0,0,0|1,0,0]=3 869 B6R0.5 COCC(C)(C)C 34a_100138415774_100011219605 [0,2,0,0,0,0|2,0,0]=4 870 B6R0.5 COCC(C)(C)F 34a_100000716592_200000210301 [0,2,0,0,0,0|2,0,0]=4 871 B6R0.5 COCC(C)(C)F 34a_100138415774_100011997219 [0,2,0,0,0,0|2,0,0]=4 872 B6R0.5 COCC(C)(C)O 34a_100138415774_100000764493 [0,2,0,0,0,0|1,0,0]=3 873 B6R0.5 COCC(C)(F)F 34a_100000068830_200000210301 [0,2,0,0,0,0|2,0,0]=4 874 B6R0.5 CSCC(C)(C)C 62a_100011219605_200000210301 [0,2,0,0,0,0|2,0,0]=4 875 B6R0.5 CSCC(C)(C)C 62a_200000210301_100011219605 [0,2,0,0,0,0|2,0,0]=4 876 B6R0.5 CSCC(C)(C)F 62a_100011997219_200000210301 [0,2,0,0,0,0|2,0,0]=4 877 B6R0.5 CSCC(C)(C)F 62a_200000210301_100011997219 [0,2,0,0,0,0|2,0,0]=4 878 B6R0.5 CSCC(C)(C)O 62a_100000764493_200000210301 [0,2,0,0,0,0|1,0,0]=3 879 B6R0.5 CSCC(C)(C)O 62a_200000210301_100000764493 [0,2,0,0,0,0|1,0,0]=3 880 B6R0.8 C#CC(C)(C)OC 34a_100000189450_200000210301 [0,2,0,0,0,0|1,0,1]=4 881 B6R0.8 C#CC(C)(C)OC 34a_100138415774_100000038118 [0,2,0,0,0,0|1,0,1]=4 882 B6R0.8 C#CC(C)(C)OC 7a_100000189450_200000210301 [0,2,0,0,0,0|1,0,1]=4 883 B6R0.8 C#CC(C)(C)O[13CH3] 34a_100000189450_200025704644 [0,2,0,0,0,0|1,0,1]=4 884 B6R0.8 C#CC(C)(C)O[13CH3] 7a_100000189450_200025704644 [0,2,0,0,0,0|1,0,1]=4 885 B6R0.8 C=CC(C)(C)OC 34a_100011215311_200000210301 [0,2,0,0,0,0|1,0,1]=4 886 B6R0.8 C=CC(C)(C)OC 7a_100011215311_200000210301 [0,2,0,0,0,0|1,0,1]=4 887 B6R0.8 C=CC(C)(C)O[13CH3] 34a_100011215311_200025704644 [0,2,0,0,0,0|1,0,1]=4 888 B6R0.8 C=CC(C)(C)O[13CH3] 7a_100011215311_200025704644 [0,2,0,0,0,0|1,0,1]=4 889 B6R0.8 CC(C)(C#N)O[13CH3] 34a_200015195151_200025704644 [0,2,0,0,0,0|1,0,1]=4 890 B6R0.8 CC(C)(CCl)O[13CH3] 7a_100000764493_200025704644 [0,2,0,0,0,0|0,1,0]=3 891 B6R0.8 CC(C)(CO)N[13CH3] 2230a_100000210608_200025704644 [0,2,0,0,0,0|2,0,0]=4 892 B6R0.8 CCC(C)(C)NC 2230a_100000211385_200000210301 [0,2,0,0,0,0|2,0,0]=4 893 B6R0.8 CCC(C)(C)NC 7a_106832991635_100000210677 [0,2,0,0,0,0|2,0,0]=4 894 B6R0.8 CCC(C)(C)N[13CH3] 2230a_100000211385_200025704644 [0,2,0,0,0,0|2,0,0]=4 895 B6R0.8 CCC(C)(C)OC 7a_100000210230_200000210301 [0,2,0,0,0,0|1,0,0]=3 896 B6R0.8 CCC(C)(C)O[13CH3] 7a_100000210230_200025704644 [0,2,0,0,0,0|1,0,0]=3 897 B6R0.8 CCC(C)(C)SC 62a_100000032637_200000210301 [0,2,0,0,0,0|1,1,0]=4 898 B6R0.8 CCC(C)(C)SC 62a_200000210301_100000032637 [0,2,0,0,0,0|1,1,0]=4 899 B6R0.8 CCC(C)(C)S[13CH3] 62a_100000032637_200025704644 [0,2,0,0,0,0|1,1,0]=4 900 B6R0.8 CCC(C)(C)S[13CH3] 62a_200025704644_100000032637 [0,2,0,0,0,0|1,1,0]=4 901 B6R0.8 CNC(C)(C)CO 2230a_100000210608_200000210301 [0,2,0,0,0,0|2,0,0]=4 902 B6R0.8 COC(C)(C)C#N 34a_100138415774_100011162410 [0,2,0,0,0,0|1,0,1]=4 903 B6R0.8 COC(C)(C)C#N 34a_200015195151_200000210301 [0,2,0,0,0,0|1,0,1]=4 904 B6R0.8 COC(C)(C)CCl 7a_100000764493_200000210301 [0,2,0,0,0,0|0,1,0]=3 905 B6R0.8 CSC(F)(F)CO 62a_100011217949_200000210301 [0,2,0,0,0,0|2,0,0]=4 906 B6R0.8 CSC(F)(F)CO 62a_200000210301_100011217949 [0,2,0,0,0,0|2,0,0]=4 907 B6R0.8 [13CH3]SC(F)(F)CO 62a_100011217949_200025704644 [0,2,0,0,0,0|2,0,0]=4 908 B6R0.8 [13CH3]SC(F)(F)CO 62a_200025704644_100011217949 [0,2,0,0,0,0|2,0,0]=4 909 B6R0.9 C#CC(CC)OC 34a_100000758843_200000210301 [0,2,0,0,0,0|1,0,1]=4 910 B6R0.9 C#CC(CC)OC 7a_100000758843_200000210301 [0,2,0,0,0,0|1,0,1]=4 911 B6R0.9 C#CC(CC)O[13CH3] 34a_100000758843_200025704644 [0,2,0,0,0,0|1,0,1]=4 912 B6R0.9 C#CC(CC)O[13CH3] 7a_100000758843_200025704644 [0,2,0,0,0,0|1,0,1]=4 913 B6R0.9 C=CC(CC)OC 34a_100000766422_200000210301 [0,2,0,0,0,0|1,0,1]=4 914 B6R0.9 C=CC(CC)OC 7a_100000766422_200000210301 [0,2,0,0,0,0|1,0,1]=4 915 B6R0.9 C=CC(CC)O[13CH3] 34a_100000766422_200025704644 [0,2,0,0,0,0|1,0,1]=4 916 B6R0.9 C=CC(CC)O[13CH3] 7a_100000766422_200025704644 [0,2,0,0,0,0|1,0,1]=4 917 B6R0.9 C=C[C@@H](CO)NC 2230a_100016989147_200000210301 [0,2,0,0,0,0|1,0,1]=4 918 B6R0.9 C=C[C@@H](CO)NC 34a_100016989147_200000210301 [0,2,0,0,0,0|1,0,1]=4 919 B6R0.9 C=C[C@@H](CO)N[13CH3] 2230a_100016989147_200025704644 [0,2,0,0,0,0|1,0,1]=4 920 B6R0.9 C=C[C@@H](CO)N[13CH3] 34a_100016989147_200025704644 [0,2,0,0,0,0|1,0,1]=4 921 B6R0.9 CCC(CC)NC 2230a_100000199018_200000210301 [0,2,0,0,0,0|2,0,0]=4 922 B6R0.9 CCC(CC)NC 270004a_106832991635_100000210860 [0,2,0,0,0,0|2,0,0]=4 923 B6R0.9 CCC(CC)NC 7a_106832991635_100000210505 [0,2,0,0,0,0|2,0,0]=4 924 B6R0.9 CCC(CC)N[13CH3] 2230a_100000199018_200025704644 [0,2,0,0,0,0|2,0,0]=4 925 B6R0.9 CCC(CC)OC 7a_100000688536_200000210301 [0,2,0,0,0,0|1,0,0]=3 926 B6R0.9 CCC(CC)O[13CH3] 7a_100000688536_200025704644 [0,2,0,0,0,0|1,0,0]=3 927 B6R0.9 CCC(CC)SC 62a_100000210505_200000210301 [0,2,0,0,0,0|1,1,0]=4 928 B6R0.9 CCC(CC)SC 62a_200000210301_100000210505 [0,2,0,0,0,0|1,1,0]=4 929 B6R0.9 CCC(CC)S[13CH3] 62a_100000210505_200025704644 [0,2,0,0,0,0|1,1,0]=4 930 B6R0.9 CCC(CC)S[13CH3] 62a_200025704644_100000210505 [0,2,0,0,0,0|1,1,0]=4 931 B6R0.9 CC[C@@H](CO)NC 2230a_100000709445_200000210301 [0,2,0,0,0,0|1,0,0]=3 932 B6R0.9 CC[C@@H](CO)N[13CH3] 2230a_100000709445_200025704644 [0,2,0,0,0,0|1,0,0]=3 933 B6R0.9 CNC(CO)CO 2230a_100000759517_200000210301 [0,2,0,0,0,0|1,0,0]=3 934 B6R0.9 COC(CCl)CCl 7a_100000737055_200000210301 [0,2,0,0,0,0|0,1,0]=3 935 B6R0.9 COC(CF)CF 34a_100000032261_200000210301 [0,2,0,0,0,0|0,1,0]=3 936 B6R0.9 COC(CF)CF 7a_100000032261_200000210301 [0,2,0,0,0,0|0,1,0]=3 937 B6R0.9 COC(CN)CN 34a_100000031598_200000210301 [0,2,0,0,0,0|1,0,0]=3 938 B6R0.9 CO[C@@H](CF)CCl 34a_100015614560_200000210301 [0,2,0,0,0,0|0,1,0]=3 939 B6R0.9 CO[C@@H](CF)CCl 7a_100015614560_200000210301 [0,2,0,0,0,0|0,1,0]=3 940 B6R0.9 [13CH3]NC(CO)CO 2230a_100000759517_200025704644 [0,2,0,0,0,0|1,0,0]=3 941 B6R0.9 [13CH3]OC(CCl)CCl 7a_100000737055_200025704644 [0,2,0,0,0,0|0,1,0]=3 942 B6R0.9 [13CH3]OC(CF)CF 34a_100000032261_200025704644 [0,2,0,0,0,0|0,1,0]=3 943 B6R0.9 [13CH3]OC(CF)CF 7a_100000032261_200025704644 [0,2,0,0,0,0|0,1,0]=3 944 B6R0.9 [13CH3]OC(CN)CN 34a_100000031598_200025704644 [0,2,0,0,0,0|1,0,0]=3 945 B6R0.9 [13CH3]O[C@@H](CF)CCl 34a_100015614560_200025704644 [0,2,0,0,0,0|0,1,0]=3 946 B6R0.9 [13CH3]O[C@@H](CF)CCl 7a_100015614560_200025704644 [0,2,0,0,0,0|0,1,0]=3 947 B6R0.7 CC(=O)C(C)(C)O 1458a_100000242741_200000210301 [0,2,0,0,0,0|1,0,1]=4 948 B6R0.7 CC(C)(O)C(=O)[13CH3] 1458a_100000242741_200025704644 [0,2,0,0,0,0|1,0,1]=4 949 B6R1.3 CCNC1CC1 34a_100000212008_100000210202 [0,1,0,1,0,0|2,0,0]=4 950 B6R1.3 CCOC1CC1 34a_100121572206_100000211595 [0,1,0,1,0,0|2,0,0]=4 951 B6R1.3 CCSC1CC1 62a_100000210202_100000211595 [0,1,0,1,0,0|2,0,0]=4 952 B6R1.3 CNCC1CC1 2230a_100000735609_200000210301 [0,1,0,1,0,0|2,0,0]=4 953 B6R1.3 CNCC1CC1 2230a_106832991635_100000742324 [0,1,0,1,0,0|2,0,0]=4 954 B6R1.3 CNCC1CC1 269862a_106832991636_100000741477 [0,1,0,1,0,0|2,0,0]=4 955 B6R1.3 CNCC1CC1 34a_100000735609_200000210301 [0,1,0,1,0,0|2,0,0]=4 956 B6R1.3 CNCC1CC1 34a_100102657272_100000742324 [0,1,0,1,0,0|2,0,0]=4 957 B6R1.3 CNCC1CC1 7a_106832991635_100000742324 [0,1,0,1,0,0|2,0,0]=4 958 B6R1.3 CNCC1CO1 2230a_106832991635_100011216344 [0,1,0,1,0,0|1,0,0]=3 959 B6R1.3 CNCC1CO1 34a_100102657272_102125554688 [0,1,0,1,0,0|1,0,0]=3 960 B6R1.3 CNCC1CO1 7a_106832991635_102125554688 [0,1,0,1,0,0|1,0,0]=3 961 B6R1.3 CNCC1CS1 7a_106832991635_100000031435 [0,1,0,1,0,0|1,1,0]=4 962 B6R1.3 CNC[C@@H]1CO1 7a_106832991635_100000745022 [0,1,0,1,0,0|1,0,0]=3 963 B6R1.3 COCC1CC1 34a_100000211283_200000210301 [0,1,0,1,0,0|2,0,0]=4 964 B6R1.3 COCC1CC1 34a_100138415774_100000742324 [0,1,0,1,0,0|2,0,0]=4 965 B6R1.3 COCC1CO1 34a_100138415774_102125554688 [0,1,0,1,0,0|1,0,0]=3 966 B6R1.3 COC[C@@H]1CO1 34a_100000757423_200000210301 [0,1,0,1,0,0|1,0,0]=3 967 B6R1.3 CSCC1CC1 62a_100000756562_200000210301 [0,1,0,1,0,0|2,0,0]=4 968 B6R1.3 CSCC1CC1 62a_200000210301_100000742324 [0,1,0,1,0,0|2,0,0]=4 969 B6R1.3 CSCC1CO1 62a_102125554688_200000210301 [0,1,0,1,0,0|1,0,0]=3 970 B6R1.3 CSCC1CO1 62a_200000210301_102125554688 [0,1,0,1,0,0|1,0,0]=3 971 B6R1.3 CSCC1CS1 62a_100000031435_200000210301 [0,1,0,1,0,0|1,1,0]=4 972 B6R1.3 CSCC1CS1 62a_200000210301_100000031435 [0,1,0,1,0,0|1,1,0]=4 973 B6R1.3 CSC[C@@H]1CO1 62a_100000745022_200000210301 [0,1,0,1,0,0|1,0,0]=3 974 B6R1.3 CSC[C@@H]1CO1 62a_200000210301_100000745022 [0,1,0,1,0,0|1,0,0]=3 975 B6R1.3 FCNC1CC1 34a_100000212008_100015361967 [0,1,0,1,0,0|1,1,0]=4 976 B6R1.3 FCSC1CC1 62a_100015361967_100000211595 [0,1,0,1,0,0|1,1,0]=4 977 B6R1.3 [13CH3]NCC1CC1 2230a_100000735609_200025704644 [0,1,0,1,0,0|2,0,0]=4 978 B6R1.3 [13CH3]NCC1CC1 34a_100000735609_200025704644 [0,1,0,1,0,0|2,0,0]=4 979 B6R1.3 [13CH3]OCC1CC1 34a_100000211283_200025704644 [0,1,0,1,0,0|2,0,0]=4 980 B6R1.3 [13CH3]OC[C@@H]1CO1 34a_100000757423_200025704644 [0,1,0,1,0,0|1,0,0]=3 981 B6R1.3 [13CH3]SCC1CC1 62a_100000756562_200025704644 [0,1,0,1,0,0|2,0,0]=4 982 B6R1.3 [13CH3]SCC1CC1 62a_200025704644_100000742324 [0,1,0,1,0,0|2,0,0]=4 983 B6R1.3 [13CH3]SCC1CO1 62a_102125554688_200025704644 [0,1,0,1,0,0|1,0,0]=3 984 B6R1.3 [13CH3]SCC1CO1 62a_200025704644_102125554688 [0,1,0,1,0,0|1,0,0]=3 985 B6R1.3 [13CH3]SCC1CS1 62a_100000031435_200025704644 [0,1,0,1,0,0|1,1,0]=4 986 B6R1.3 [13CH3]SCC1CS1 62a_200025704644_100000031435 [0,1,0,1,0,0|1,1,0]=4 987 B6R1.3 [13CH3]SC[C@@H]1CO1 62a_100000745022_200025704644 [0,1,0,1,0,0|1,0,0]=3 988 B6R1.3 [13CH3]SC[C@@H]1CO1 62a_200025704644_100000745022 [0,1,0,1,0,0|1,0,0]=3 989 B6R1.5 CC1CN(C1)C 2230a_100000702820_200000210301 [0,1,0,1,0,0|2,0,0]=4 990 B6R1.5 CC1CN(C1)C 269982a_100000702820_200000210301 [0,1,0,1,0,0|2,0,0]=4 991 B6R1.5 CC1CN(C1)C 34a_100000702820_200000210301 [0,1,0,1,0,0|2,0,0]=4 992 B6R1.5 CC1CN(C1)[13CH3] 2230a_100000702820_200025704644 [0,1,0,1,0,0|2,0,0]=4 993 B6R1.5 CC1CN(C1)[13CH3] 269982a_100000702820_200025704644 [0,1,0,1,0,0|2,0,0]=4 994 B6R1.5 CC1CN(C1)[13CH3] 34a_100000702820_200025704644 [0,1,0,1,0,0|2,0,0]=4 995 B6R1.5 CN1CC(C1)F 2230a_100000690557_200000210301 [0,1,0,1,0,0|2,0,0]=4 996 B6R1.5 CN1CC(C1)F 269982a_100000690557_200000210301 [0,1,0,1,0,0|2,0,0]=4 997 B6R1.5 CN1CC(C1)F 34a_100000690557_200000210301 [0,1,0,1,0,0|2,0,0]=4 998 B6R1.5 CN1CC(C1)O 269982a_100000749847_200000210301 [0,1,0,1,0,0|1,0,0]=3 999 B6R1.5 [13CH3]N1CC(C1)F 2230a_100000690557_200025704644 [0,1,0,1,0,0|2,0,0]=4 1000 B6R1.5 [13CH3]N1CC(C1)F 269982a_100000690557_200025704644 [0,1,0,1,0,0|2,0,0]=4 1001 B6R1.5 [13CH3]N1CC(C1)F 34a_100000690557_200025704644 [0,1,0,1,0,0|2,0,0]=4 1002 B6R1.5 [13CH3]N1CC(C1)O 269982a_100000749847_200025704644 [0,1,0,1,0,0|1,0,0]=3 1003 B6R1.8 CN[C@@H]1C[C@@H]1F 2230a_100015190264_200000210301 [0,1,0,1,0,0|1,1,0]=4 1004 B6R1.8 CN[C@@H]1C[C@H]1F 2230a_100025746932_200000210301 [0,1,0,1,0,0|1,1,0]=4 1005 B6R1.8 CN[C@@H]1C[C@H]1F 34a_100025746932_200000210301 [0,1,0,1,0,0|1,1,0]=4 1006 B6R1.8 [13CH3]N[C@@H]1C[C@@H]1F 2230a_100015190264_200025704644 [0,1,0,1,0,0|1,1,0]=4 1007 B6R1.8 [13CH3]N[C@@H]1C[C@H]1F 2230a_100025746932_200025704644 [0,1,0,1,0,0|1,1,0]=4 1008 B6R1.8 [13CH3]N[C@@H]1C[C@H]1F 34a_100025746932_200025704644 [0,1,0,1,0,0|1,1,0]=4 1009 B6R1.11 CC(=O)C1CO1 1458a_100000701028_200000210301 [0,1,0,1,0,0|1,0,1]=4 1010 B6R1.11 [13CH3]C(=O)C1CO1 1458a_100000701028_200025704644 [0,1,0,1,0,0|1,0,1]=4 1011 B6R1.4 CC1CCN1C 269982a_100000755817_200000210301 [0,1,0,1,0,0|2,0,0]=4 1012 B6R1.4 CC1CCN1C 34a_100000755817_200000210301 [0,1,0,1,0,0|2,0,0]=4 1013 B6R1.4 CC1CCN1[13CH3] 269982a_100000755817_200025704644 [0,1,0,1,0,0|2,0,0]=4 1014 B6R1.4 CC1CCN1[13CH3] 34a_100000755817_200025704644 [0,1,0,1,0,0|2,0,0]=4 1015 B6R1.6 CNC1CCC1 2230a_100000749019_200000210301 [0,1,0,1,0,0|2,0,0]=4 1016 B6R1.6 CNC1CCC1 270004a_106832991635_100000241760 [0,1,0,1,0,0|2,0,0]=4 1017 B6R1.6 CNC1CCC1 34a_100000749019_200000210301 [0,1,0,1,0,0|2,0,0]=4 1018 B6R1.6 CNC1CCC1 34a_100102657272_100000749161 [0,1,0,1,0,0|2,0,0]=4 1019 B6R1.6 CNC1COC1 2230a_100016991112_200000210301 [0,1,0,1,0,0|2,0,0]=4 1020 B6R1.6 CNC1COC1 34a_100102657272_100009818527 [0,1,0,1,0,0|2,0,0]=4 1021 B6R1.6 CNC1COC1 7a_106832991635_100009818527 [0,1,0,1,0,0|2,0,0]=4 1022 B6R1.6 COC1CCC1 34a_100000748187_200000210301 [0,1,0,1,0,0|1,0,0]=3 1023 B6R1.6 COC1CCC1 34a_100138415774_100000749161 [0,1,0,1,0,0|1,0,0]=3 1024 B6R1.6 COC1COC1 34a_100138415774_100009818527 [0,1,0,1,0,0|1,0,0]=3 1025 B6R1.6 COC1CSC1 7a_100000072292_200000210301 [0,1,0,1,0,0|1,0,0]=3 1026 B6R1.6 CSC1CCC1 62a_200000210301_100000749161 [0,1,0,1,0,0|1,1,0]=4 1027 B6R1.6 CSC1COC1 62a_200000210301_100009818527 [0,1,0,1,0,0|1,1,0]=4 1028 B6R1.6 [13CH3]NC1CCC1 2230a_100000749019_200025704644 [0,1,0,1,0,0|2,0,0]=4 1029 B6R1.6 [13CH3]NC1CCC1 34a_100000749019_200025704644 [0,1,0,1,0,0|2,0,0]=4 1030 B6R1.6 [13CH3]NC1COC1 2230a_100016991112_200025704644 [0,1,0,1,0,0|2,0,0]=4 1031 B6R1.6 [13CH3]OC1CCC1 34a_100000748187_200025704644 [0,1,0,1,0,0|1,0,0]=3 1032 B6R1.6 [13CH3]OC1CSC1 7a_100000072292_200025704644 [0,1,0,1,0,0|1,0,0]=3 1033 B6R1.6 [13CH3]SC1CCC1 62a_200025704644_100000749161 [0,1,0,1,0,0|1,1,0]=4 1034 B6R1.6 [13CH3]SC1COC1 62a_200025704644_100009818527 [0,1,0,1,0,0|1,1,0]=4 1035 B6R1.7 CC1(CC1)N[13CH3] 2230a_100000757604_200025704644 [0,1,0,1,0,0|2,0,0]=4 1036 B6R1.7 CC1(CC1)O[13CH3] 7a_100011725673_200025704644 [0,1,0,1,0,0|1,0,0]=3 1037 B6R1.7 CNC1(CC1)C 2230a_100000757604_200000210301 [0,1,0,1,0,0|2,0,0]=4 1038 B6R1.7 COC1(CC1)C 7a_100011725673_200000210301 [0,1,0,1,0,0|1,0,0]=3