0 B4R0.1 C#CC(=O)C 1458a_100000211873_200000210301 [0,0,0,0,0,0|1,0,1]=2 1 B4R0.1 C#CC(=O)[13CH3] 1458a_100000211873_200025704644 [0,0,0,0,0,0|1,0,1]=2 2 B4R0.1 C=CC(=O)C 1458a_100000185746_200000210301 [0,0,0,0,0,0|1,0,1]=2 3 B4R0.1 C=CC(=O)[13CH3] 1458a_100000185746_200025704644 [0,0,0,0,0,0|1,0,1]=2 4 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [0,0,0,0,0,0|2,0,0]=2 5 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [0,0,0,0,0,0|2,0,0]=2 6 B4R0.1 CC(C)N[13CH3] 2230a_100138425928_200025704644 [0,0,0,0,0,0|2,0,1]=3 7 B4R0.1 CC(C)N[13CH3] 34a_100138425928_200025704644 [0,0,0,0,0,0|2,0,1]=3 8 B4R0.1 CC(C)O[13CH3] 34a_100000212225_200025704644 [0,0,0,0,0,0|1,0,1]=2 9 B4R0.1 CC(C)S[13CH3] 62a_100000210206_200025704644 [0,0,0,0,0,0|1,1,1]=3 10 B4R0.1 CC(C)S[13CH3] 62a_200025704644_100000210206 [0,0,0,0,0,0|1,1,1]=3 11 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [0,0,0,0,0,0|1,0,0]=1 12 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [0,0,0,0,0,0|1,0,0]=1 13 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [0,0,0,0,0,0|1,0,0]=1 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|4,0,0]=4 21 B4R0.1 CNC(=O)C 11a_106832991635_100015343762 [0,0,0,0,0,0|1,0,0]=1 22 B4R0.1 CNC(=O)C 1626a_100102657272_100015343762 [0,0,0,0,0,0|1,0,0]=1 23 B4R0.1 CNC(=O)C 240690a_100102657272_100015343762 [0,0,0,0,0,0|1,0,0]=1 24 B4R0.1 CNC(=O)C 527a_100102657272_100103153847 [0,0,0,0,0,0|1,0,0]=1 25 B4R0.1 CNC(C)C 2230a_100138425928_200000210301 [0,0,0,0,0,0|2,0,1]=3 26 B4R0.1 CNC(C)C 2230a_106832991635_100000210206 [0,0,0,0,0,0|2,0,1]=3 27 B4R0.1 CNC(C)C 34a_100102657272_100000210206 [0,0,0,0,0,0|2,0,1]=3 28 B4R0.1 CNC(C)C 34a_100138425928_200000210301 [0,0,0,0,0,0|2,0,1]=3 29 B4R0.1 CNC(C)C 7a_106832991635_100000210206 [0,0,0,0,0,0|2,0,1]=3 30 B4R0.1 COC(C)C 34a_100000212225_200000210301 [0,0,0,0,0,0|1,0,1]=2 31 B4R0.1 COC(C)C 34a_100138415774_100000210206 [0,0,0,0,0,0|1,0,1]=2 32 B4R0.1 CSC(C)C 62a_100000210206_200000210301 [0,0,0,0,0,0|1,1,1]=3 33 B4R0.1 CSC(C)C 62a_200000210301_100000210206 [0,0,0,0,0,0|1,1,1]=3 34 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [0,0,0,0,0,0|2,0,0]=2 35 B3R0.1 CCNC 2230a_100015525214_200000210301 [1,0,0,0,0,0|1,0,1]=3 36 B3R0.1 CCNC 2230a_106832991635_100000210202 [1,0,0,0,0,0|1,0,1]=3 37 B3R0.1 CCNC 34a_100102657272_100000210202 [1,0,0,0,0,0|1,0,1]=3 38 B3R0.1 CCNC 7a_106832991635_100000210202 [1,0,0,0,0,0|1,0,1]=3 39 B3R0.1 CCN[13CH3] 2230a_100015525214_200025704644 [1,0,0,0,0,0|1,0,1]=3 40 B3R0.1 CCOC 34a_100121572206_200000210301 [1,0,0,0,0,0|0,0,1]=2 41 B3R0.1 CCOC 34a_100138415774_100000210202 [1,0,0,0,0,0|0,0,1]=2 42 B3R0.1 CCO[13CH3] 34a_100121572206_200025704644 [1,0,0,0,0,0|0,0,1]=2 43 B3R0.1 CCSC 62a_100000210202_200000210301 [1,0,0,0,0,0|0,1,1]=3 44 B3R0.1 CCSC 62a_200000210301_100000210202 [1,0,0,0,0,0|0,1,1]=3 45 B3R0.1 CCS[13CH3] 62a_100000210202_200025704644 [1,0,0,0,0,0|0,1,1]=3 46 B3R0.1 CCS[13CH3] 62a_200025704644_100000210202 [1,0,0,0,0,0|0,1,1]=3 47 B3R0.1 CNCF 34a_100102657272_100015361967 [1,0,0,0,0,0|2,0,1]=4 48 B3R0.1 CNCF 7a_106832991635_100015361967 [1,0,0,0,0,0|2,0,1]=4 49 B3R0.1 COCF 34a_100138415774_100015361967 [1,0,0,0,0,0|1,0,1]=3 50 B3R0.1 CSCF 62a_100015361967_200000210301 [1,0,0,0,0,0|1,1,1]=4 51 B3R0.1 CSCF 62a_200000210301_100015361967 [1,0,0,0,0,0|1,1,1]=4 52 B3R0.1 [13CH3]SCF 62a_100015361967_200025704644 [1,0,0,0,0,0|1,1,1]=4 53 B3R0.1 [13CH3]SCF 62a_200025704644_100015361967 [1,0,0,0,0,0|1,1,1]=4 54 B3R0.2 CC(=O)C 1458a_100000070787_200000210301 [1,0,0,0,0,0|0,0,0]=1 55 B3R0.2 CC(=O)[13CH3] 1458a_100000070787_200025704644 [1,0,0,0,0,0|0,0,0]=1 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|1,0,1]=3 61 B5R0.1 C#CCC(=O)C 1458a_100011220946_200000210301 [0,1,0,0,0,0|1,0,1]=3 62 B5R0.1 C#CCC(=O)[13CH3] 1458a_100011220946_200025704644 [0,1,0,0,0,0|1,0,1]=3 63 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [0,1,0,0,0,0|2,0,0]=3 64 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [0,1,0,0,0,0|2,0,0]=3 65 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [0,1,0,0,0,0|2,0,0]=3 66 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [0,1,0,0,0,0|1,0,0]=2 67 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [0,1,0,0,0,0|1,0,0]=2 68 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [0,1,0,0,0,0|1,0,0]=2 69 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [0,1,0,0,0,0|1,1,0]=3 70 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [0,1,0,0,0,0|1,1,0]=3 71 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [0,1,0,0,0,0|1,1,0]=3 72 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [0,1,0,0,0,0|1,1,0]=3 73 B5R0.1 C=C(F)CNC 2230a_106832991635_100009893438 [0,1,0,0,0,0|2,0,1]=4 74 B5R0.1 C=C(F)CNC 34a_100102657272_100009893438 [0,1,0,0,0,0|2,0,1]=4 75 B5R0.1 C=C(F)CNC 7a_106832991635_100000042424 [0,1,0,0,0,0|2,0,1]=4 76 B5R0.1 C=C(F)COC 34a_100138415774_100009893438 [0,1,0,0,0,0|1,0,1]=3 77 B5R0.1 C=C(F)COC 34a_200010262243_200000210301 [0,1,0,0,0,0|1,0,1]=3 78 B5R0.1 C=C(F)CO[13CH3] 34a_200010262243_200025704644 [0,1,0,0,0,0|1,0,1]=3 79 B5R0.1 C=C(F)CSC 62a_100000042424_200000210301 [0,1,0,0,0,0|1,1,1]=4 80 B5R0.1 C=C(F)CSC 62a_200000210301_100000042424 [0,1,0,0,0,0|1,1,1]=4 81 B5R0.1 C=C(F)CS[13CH3] 62a_100000042424_200025704644 [0,1,0,0,0,0|1,1,1]=4 82 B5R0.1 C=C(F)CS[13CH3] 62a_200025704644_100000042424 [0,1,0,0,0,0|1,1,1]=4 83 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [0,1,0,0,0,0|1,0,1]=3 84 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [0,1,0,0,0,0|1,0,1]=3 85 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [0,1,0,0,0,0|1,0,1]=3 86 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [0,1,0,0,0,0|1,0,0]=2 87 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [0,1,0,0,0,0|1,0,0]=2 88 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [0,1,0,0,0,0|1,0,1]=3 89 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [0,1,0,0,0,0|1,0,1]=3 90 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [0,1,0,0,0,0|1,0,1]=3 91 B5R0.1 CC(=O)CC#N 1458a_100000070787_100011214920 [0,1,0,0,0,0|1,0,1]=3 92 B5R0.1 CC(=O)CC#N 1458a_100051588842_200000210301 [0,1,0,0,0,0|1,0,1]=3 93 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [0,1,0,0,0,0|1,0,0]=2 94 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [0,1,0,0,0,0|1,0,0]=2 95 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [0,1,0,0,0,0|1,0,0]=2 96 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [0,1,0,0,0,0|0,0,0]=1 97 B5R0.1 CC(Br)CO[13CH3] 34a_100012180447_200025704644 [0,1,0,0,0,0|1,0,1]=3 98 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [0,1,0,0,0,0|2,0,1]=4 99 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [0,1,0,0,0,0|2,0,1]=4 100 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [0,1,0,0,0,0|1,0,1]=3 101 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [0,1,0,0,0,0|1,1,1]=4 102 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [0,1,0,0,0,0|1,1,1]=4 103 B5R0.1 CC(C)NCF 34a_100138425928_100015361967 [0,1,0,0,0,0|2,0,1]=4 104 B5R0.1 CC(C)OCF 34a_100000212225_100015361967 [0,1,0,0,0,0|1,0,1]=3 105 B5R0.1 CC(C)SCF 62a_100000210206_100015361967 [0,1,0,0,0,0|1,1,1]=4 106 B5R0.1 CC(C)SCF 62a_100015361967_100000210206 [0,1,0,0,0,0|1,1,1]=4 107 B5R0.1 CC(F)CO[13CH3] 34a_100015925927_200025704644 [0,1,0,0,0,0|1,0,1]=3 108 B5R0.1 CC(O)CN[13CH3] 2230a_100000210904_200025704644 [0,1,0,0,0,0|1,0,2]=4 109 B5R0.1 CC(O)CN[13CH3] 34a_100000210904_200025704644 [0,1,0,0,0,0|1,0,2]=4 110 B5R0.1 CC(O)CS[13CH3] 62a_100011218427_200025704644 [0,1,0,0,0,0|0,1,2]=4 111 B5R0.1 CC(O)CS[13CH3] 62a_200025704644_100011218427 [0,1,0,0,0,0|0,1,2]=4 112 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [0,1,0,0,0,0|1,0,0]=2 113 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [0,1,0,0,0,0|1,0,0]=2 114 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [0,1,0,0,0,0|1,0,0]=2 115 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [0,1,0,0,0,0|1,0,0]=2 116 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [0,1,0,0,0,0|1,0,0]=2 117 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [0,1,0,0,0,0|3,0,0]=4 118 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [0,1,0,0,0,0|3,0,0]=4 119 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [0,1,0,0,0,0|3,0,0]=4 120 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [0,1,0,0,0,0|3,0,0]=4 121 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [0,1,0,0,0,0|3,0,0]=4 122 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [0,1,0,0,0,0|3,0,0]=4 123 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [0,1,0,0,0,0|1,0,0]=2 124 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [0,1,0,0,0,0|1,0,0]=2 125 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [0,1,0,0,0,0|1,0,0]=2 126 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [0,1,0,0,0,0|2,0,1]=4 127 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [0,1,0,0,0,0|2,0,1]=4 128 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [0,1,0,0,0,0|2,0,1]=4 129 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [0,1,0,0,0,0|1,0,1]=3 130 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [0,1,0,0,0,0|1,0,1]=3 131 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [0,1,0,0,0,0|1,1,1]=4 132 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [0,1,0,0,0,0|1,1,1]=4 133 B5R0.1 CN(C)CCF 2230a_100102631434_100011217306 [0,1,0,0,0,0|3,0,0]=4 134 B5R0.1 CN(C)CCF 269982a_100102631434_100011217306 [0,1,0,0,0,0|3,0,0]=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])CCO 2230a_100000210263_200025704644 [0,1,0,0,0,0|3,0,0]=4 140 B5R0.1 CN([13CH3])CCO 269982a_100000210263_200025704644 [0,1,0,0,0,0|3,0,0]=4 141 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [0,1,0,0,0,0|2,0,0]=3 142 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [0,1,0,0,0,0|2,0,0]=3 143 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [0,1,0,0,0,0|2,0,0]=3 144 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [0,1,0,0,0,0|2,0,0]=3 145 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [0,1,0,0,0,0|2,0,0]=3 146 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [0,1,0,0,0,0|2,0,0]=3 147 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [0,1,0,0,0,0|2,0,1]=4 148 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [0,1,0,0,0,0|2,0,1]=4 149 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [0,1,0,0,0,0|2,0,1]=4 150 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [0,1,0,0,0,0|2,0,1]=4 151 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [0,1,0,0,0,0|2,0,1]=4 152 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [0,1,0,0,0,0|2,0,1]=4 153 B5R0.1 CNCC(C)O 2230a_100000210904_200000210301 [0,1,0,0,0,0|1,0,2]=4 154 B5R0.1 CNCC(C)O 2230a_106832991635_100011218427 [0,1,0,0,0,0|1,0,2]=4 155 B5R0.1 CNCC(C)O 34a_100000210904_200000210301 [0,1,0,0,0,0|1,0,2]=4 156 B5R0.1 CNCC(C)O 34a_100102657272_100011218427 [0,1,0,0,0,0|1,0,2]=4 157 B5R0.1 CNCC(C)O 7a_106832991635_100011218427 [0,1,0,0,0,0|1,0,2]=4 158 B5R0.1 CNC[C@@H](C)O 2230a_106832991635_100009817552 [0,1,0,0,0,0|1,0,2]=4 159 B5R0.1 CNC[C@@H](C)O 34a_100102657272_100009817552 [0,1,0,0,0,0|1,0,2]=4 160 B5R0.1 CNC[C@@H](C)O 7a_106832991635_100009817552 [0,1,0,0,0,0|1,0,2]=4 161 B5R0.1 CNC[N+](=O)[O-] 34a_100102657272_100000761209 [0,1,0,0,0,0|3,0,0]=4 162 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [0,1,0,0,0,0|1,0,0]=2 163 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [0,1,0,0,0,0|0,0,0]=1 164 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [0,1,0,0,0,0|0,0,0]=1 165 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [0,1,0,0,0,0|1,0,0]=2 166 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [0,1,0,0,0,0|0,0,0]=1 167 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [0,1,0,0,0,0|1,0,0]=2 168 B5R0.1 COCC(C)Br 34a_100012180447_200000210301 [0,1,0,0,0,0|1,0,1]=3 169 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [0,1,0,0,0,0|1,0,1]=3 170 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [0,1,0,0,0,0|1,0,1]=3 171 B5R0.1 COCC(C)F 34a_100015925927_200000210301 [0,1,0,0,0,0|1,0,1]=3 172 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [0,1,0,0,0,0|0,0,2]=3 173 B5R0.1 COCC(F)F 34a_100000743014_200000210301 [0,1,0,0,0,0|2,0,1]=4 174 B5R0.1 COCC(F)F 34a_100138415774_100011934356 [0,1,0,0,0,0|2,0,1]=4 175 B5R0.1 COCN(C)C 2230a_100102631434_100000766300 [0,1,0,0,0,0|2,0,0]=3 176 B5R0.1 COCN(C)C 269982a_100102631434_100000766300 [0,1,0,0,0,0|2,0,0]=3 177 B5R0.1 COC[C@@H](C)Cl 34a_100016084084_200000210301 [0,1,0,0,0,0|1,0,1]=3 178 B5R0.1 COC[C@@H](C)N 34a_100000737577_200000210301 [0,1,0,0,0,0|1,0,1]=3 179 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [0,1,0,0,0,0|0,0,2]=3 180 B5R0.1 COC[N+](=O)[O-] 34a_100138415774_100000761209 [0,1,0,0,0,0|2,0,0]=3 181 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [0,1,0,0,0,0|0,1,0]=2 182 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [0,1,0,0,0,0|1,1,0]=3 183 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [0,1,0,0,0,0|1,1,0]=3 184 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [0,1,0,0,0,0|0,1,0]=2 185 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [0,1,0,0,0,0|1,1,0]=3 186 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [0,1,0,0,0,0|1,1,0]=3 187 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [0,1,0,0,0,0|1,1,1]=4 188 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [0,1,0,0,0,0|1,1,1]=4 189 B5R0.1 CSCC(C)O 62a_100011218427_200000210301 [0,1,0,0,0,0|0,1,2]=4 190 B5R0.1 CSCC(C)O 62a_200000210301_100011218427 [0,1,0,0,0,0|0,1,2]=4 191 B5R0.1 CSCN(C)C 2230a_100102631434_100011218213 [0,1,0,0,0,0|2,1,0]=4 192 B5R0.1 CSCN(C)C 269982a_100102631434_100011218213 [0,1,0,0,0,0|2,1,0]=4 193 B5R0.1 CSC[C@@H](C)O 62a_100009817552_200000210301 [0,1,0,0,0,0|0,1,2]=4 194 B5R0.1 CSC[C@@H](C)O 62a_200000210301_100009817552 [0,1,0,0,0,0|0,1,2]=4 195 B5R0.1 CSC[N+](=O)[O-] 62a_200000210301_100000761209 [0,1,0,0,0,0|2,1,0]=4 196 B5R0.1 C[C@@H](Cl)CO[13CH3] 34a_100016084084_200025704644 [0,1,0,0,0,0|1,0,1]=3 197 B5R0.1 C[C@@H](N)CO[13CH3] 34a_100000737577_200025704644 [0,1,0,0,0,0|1,0,1]=3 198 B5R0.1 C[C@@H](O)CS[13CH3] 62a_100009817552_200025704644 [0,1,0,0,0,0|0,1,2]=4 199 B5R0.1 C[C@@H](O)CS[13CH3] 62a_200025704644_100009817552 [0,1,0,0,0,0|0,1,2]=4 200 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [0,1,0,0,0,0|1,0,1]=3 201 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [0,1,0,0,0,0|1,0,1]=3 202 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [0,1,0,0,0,0|1,0,1]=3 203 B5R0.1 [13CH3]C(=O)CC#N 1458a_100051588842_200025704644 [0,1,0,0,0,0|1,0,1]=3 204 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [0,1,0,0,0,0|1,0,0]=2 205 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [0,1,0,0,0,0|2,0,0]=3 206 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [0,1,0,0,0,0|2,0,0]=3 207 B5R0.1 [13CH3]OCC(F)F 34a_100000743014_200025704644 [0,1,0,0,0,0|2,0,1]=4 208 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [0,1,0,0,0,0|1,1,0]=3 209 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [0,1,0,0,0,0|1,1,0]=3 210 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [0,1,0,0,0,0|1,1,0]=3 211 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [0,1,0,0,0,0|1,1,0]=3 212 B5R0.1 [13CH3]SC[N+](=O)[O-] 62a_200025704644_100000761209 [0,1,0,0,0,0|2,1,0]=4 213 B5R0.3 C#CC(=O)CC 1458a_100000211873_100000210202 [0,1,0,0,0,0|1,0,1]=3 214 B5R0.3 C#CC(=O)CF 1458a_100000211873_100015361967 [0,1,0,0,0,0|1,0,1]=3 215 B5R0.3 C#CC(C)NC 2230a_100000707721_200000210301 [0,1,0,0,0,0|2,0,1]=4 216 B5R0.3 C#CC(C)NC 34a_100000707721_200000210301 [0,1,0,0,0,0|2,0,1]=4 217 B5R0.3 C#CC(C)NC 34a_100102657272_200000035995 [0,1,0,0,0,0|2,0,1]=4 218 B5R0.3 C#CC(C)N[13CH3] 2230a_100000707721_200025704644 [0,1,0,0,0,0|2,0,1]=4 219 B5R0.3 C#CC(C)N[13CH3] 34a_100000707721_200025704644 [0,1,0,0,0,0|2,0,1]=4 220 B5R0.3 C#CC(C)OC 34a_100138415774_200000035995 [0,1,0,0,0,0|1,0,1]=3 221 B5R0.3 C#CC(C)SC 62a_200000035995_200000210301 [0,1,0,0,0,0|1,1,1]=4 222 B5R0.3 C#CC(C)S[13CH3] 62a_200000035995_200025704644 [0,1,0,0,0,0|1,1,1]=4 223 B5R0.3 C#C[C@@H](C)OC 34a_100009815206_200000210301 [0,1,0,0,0,0|1,0,1]=3 224 B5R0.3 C#C[C@@H](C)OC 7a_100009815206_200000210301 [0,1,0,0,0,0|1,0,1]=3 225 B5R0.3 C#C[C@@H](C)O[13CH3] 34a_100009815206_200025704644 [0,1,0,0,0,0|1,0,1]=3 226 B5R0.3 C#C[C@@H](C)O[13CH3] 7a_100009815206_200025704644 [0,1,0,0,0,0|1,0,1]=3 227 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [0,1,0,0,0,0|1,0,1]=3 228 B5R0.3 C=CC(=O)CF 1458a_100000185746_100015361967 [0,1,0,0,0,0|1,0,1]=3 229 B5R0.3 C=CC(=O)NC 1626a_100102657272_100000185746 [0,1,0,0,0,0|1,0,1]=3 230 B5R0.3 C=CC(=O)NC 240690a_100102657272_200121576911 [0,1,0,0,0,0|1,0,1]=3 231 B5R0.3 C=CC(C)OC 34a_100000695699_200000210301 [0,1,0,0,0,0|1,0,1]=3 232 B5R0.3 C=CC(C)O[13CH3] 34a_100000695699_200025704644 [0,1,0,0,0,0|1,0,1]=3 233 B5R0.3 C=CC(C)SC 62a_100011215867_200000210301 [0,1,0,0,0,0|1,1,1]=4 234 B5R0.3 C=CC(C)S[13CH3] 62a_100011215867_200025704644 [0,1,0,0,0,0|1,1,1]=4 235 B5R0.3 CC(C#N)N[13CH3] 2230a_100000737613_200025704644 [0,1,0,0,0,0|2,0,1]=4 236 B5R0.3 CC(C#N)O[13CH3] 34a_100011218135_200025704644 [0,1,0,0,0,0|1,0,1]=3 237 B5R0.3 CC(C#N)S[13CH3] 62a_100000703298_200025704644 [0,1,0,0,0,0|1,1,1]=4 238 B5R0.3 CC(C#N)S[13CH3] 62a_200025704644_100000703298 [0,1,0,0,0,0|1,1,1]=4 239 B5R0.3 CC(CF)O[13CH3] 34a_100016041109_200025704644 [0,1,0,0,0,0|1,0,1]=3 240 B5R0.3 CC(CF)O[13CH3] 7a_100016041109_200025704644 [0,1,0,0,0,0|1,0,1]=3 241 B5R0.3 CC(CN)O[13CH3] 34a_100000210904_200025704644 [0,1,0,0,0,0|1,0,1]=3 242 B5R0.3 CC(CO)S[13CH3] 62a_100012180447_200025704644 [0,1,0,0,0,0|0,1,2]=4 243 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [0,1,0,0,0,0|1,0,0]=2 244 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [0,1,0,0,0,0|1,0,0]=2 245 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [0,1,0,0,0,0|1,0,0]=2 246 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [0,1,0,0,0,0|1,0,0]=2 247 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [0,1,0,0,0,0|1,0,0]=2 248 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [0,1,0,0,0,0|1,0,0]=2 249 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [0,1,0,0,0,0|1,0,0]=2 250 B5R0.3 CCC(C)NC 2230a_100000209981_200000210301 [0,1,0,0,0,0|2,0,1]=4 251 B5R0.3 CCC(C)NC 2230a_106832991635_100000758301 [0,1,0,0,0,0|2,0,1]=4 252 B5R0.3 CCC(C)NC 34a_100102657272_100011215416 [0,1,0,0,0,0|2,0,1]=4 253 B5R0.3 CCC(C)NC 7a_106832991635_100000758301 [0,1,0,0,0,0|2,0,1]=4 254 B5R0.3 CCC(C)N[13CH3] 2230a_100000209981_200025704644 [0,1,0,0,0,0|2,0,1]=4 255 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [0,1,0,0,0,0|1,0,1]=3 256 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [0,1,0,0,0,0|1,0,1]=3 257 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [0,1,0,0,0,0|1,0,1]=3 258 B5R0.3 CCC(C)SC 62a_100000758301_200000210301 [0,1,0,0,0,0|1,1,1]=4 259 B5R0.3 CCC(C)SC 62a_200000210301_100000758301 [0,1,0,0,0,0|1,1,1]=4 260 B5R0.3 CCC(C)S[13CH3] 62a_100000758301_200025704644 [0,1,0,0,0,0|1,1,1]=4 261 B5R0.3 CCC(C)S[13CH3] 62a_200025704644_100000758301 [0,1,0,0,0,0|1,1,1]=4 262 B5R0.3 CCN(C)CC 2230a_100000225621_100000210202 [0,1,0,0,0,0|3,0,0]=4 263 B5R0.3 CCN(C)CC 2230a_100000724800_200000210301 [0,1,0,0,0,0|3,0,0]=4 264 B5R0.3 CCN(C)CC 269956a_100000042499_200000210301 [0,1,0,0,0,0|3,0,0]=4 265 B5R0.3 CCN(C)CC 269982a_100000225621_100000204670 [0,1,0,0,0,0|3,0,0]=4 266 B5R0.3 CCN(C)CC 269982a_100000724800_200000210301 [0,1,0,0,0,0|3,0,0]=4 267 B5R0.3 CCN(C)CF 269982a_100000225621_100015361967 [0,1,0,0,0,0|3,0,0]=4 268 B5R0.3 CCN([13CH3])CC 2230a_100000724800_200025704644 [0,1,0,0,0,0|3,0,0]=4 269 B5R0.3 CCN([13CH3])CC 269956a_100000042499_200025704644 [0,1,0,0,0,0|3,0,0]=4 270 B5R0.3 CCN([13CH3])CC 269982a_100000724800_200025704644 [0,1,0,0,0,0|3,0,0]=4 271 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [0,1,0,0,0,0|1,0,0]=2 272 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [0,1,0,0,0,0|1,0,0]=2 273 B5R0.3 CNC(=O)NC 2708a_100102657272_106832991635 [0,1,0,0,0,0|1,0,0]=2 274 B5R0.3 CNC(=O)NC 273464a_100102657272_100102657272 [0,1,0,0,0,0|1,0,0]=2 275 B5R0.3 CNC(=O)NC 512a_106832991638_100102657272 [0,1,0,0,0,0|1,0,0]=2 276 B5R0.3 CNC(C)C#N 2230a_100000737613_200000210301 [0,1,0,0,0,0|2,0,1]=4 277 B5R0.3 CNC(C)C#N 2230a_106832991635_100000184139 [0,1,0,0,0,0|2,0,1]=4 278 B5R0.3 CNC(C)C#N 7a_106832991635_100000703298 [0,1,0,0,0,0|2,0,1]=4 279 B5R0.3 CNC(C)CO 2230a_106832991635_100012180447 [0,1,0,0,0,0|1,0,2]=4 280 B5R0.3 CNC(C)CO 34a_100102657272_100012180447 [0,1,0,0,0,0|1,0,2]=4 281 B5R0.3 CNC(C)CO 7a_106832991635_100012180447 [0,1,0,0,0,0|1,0,2]=4 282 B5R0.3 CN[C@H](C)CO 2230a_100000737577_200000210301 [0,1,0,0,0,0|1,0,2]=4 283 B5R0.3 COC(C)C#N 34a_100011218135_200000210301 [0,1,0,0,0,0|1,0,1]=3 284 B5R0.3 COC(C)CF 34a_100016041109_200000210301 [0,1,0,0,0,0|1,0,1]=3 285 B5R0.3 COC(C)CF 7a_100016041109_200000210301 [0,1,0,0,0,0|1,0,1]=3 286 B5R0.3 COC(C)CN 34a_100000210904_200000210301 [0,1,0,0,0,0|1,0,1]=3 287 B5R0.3 COC(C)CO 34a_100138415774_100012180447 [0,1,0,0,0,0|0,0,2]=3 288 B5R0.3 COC(C)SC 62a_100009879195_200000210301 [0,1,0,0,0,0|0,1,1]=3 289 B5R0.3 COC(C)SC 62a_200000210301_100009879195 [0,1,0,0,0,0|0,1,1]=3 290 B5R0.3 COC(C)S[13CH3] 62a_100009879195_200025704644 [0,1,0,0,0,0|0,1,1]=3 291 B5R0.3 COC(C)S[13CH3] 62a_200025704644_100009879195 [0,1,0,0,0,0|0,1,1]=3 292 B5R0.3 CSC(C)C#N 62a_100000703298_200000210301 [0,1,0,0,0,0|1,1,1]=4 293 B5R0.3 CSC(C)C#N 62a_200000210301_100000703298 [0,1,0,0,0,0|1,1,1]=4 294 B5R0.3 CSC(C)CO 62a_100012180447_200000210301 [0,1,0,0,0,0|0,1,2]=4 295 B5R0.3 CS[C@H](C)CO 62a_100016084084_200000210301 [0,1,0,0,0,0|0,1,2]=4 296 B5R0.3 CS[C@H](C)CO 62a_200000210301_100016084084 [0,1,0,0,0,0|0,1,2]=4 297 B5R0.3 C[C@H](CO)N[13CH3] 2230a_100000737577_200025704644 [0,1,0,0,0,0|1,0,2]=4 298 B5R0.3 C[C@H](CO)S[13CH3] 62a_100016084084_200025704644 [0,1,0,0,0,0|0,1,2]=4 299 B5R0.3 C[C@H](CO)S[13CH3] 62a_200025704644_100016084084 [0,1,0,0,0,0|0,1,2]=4 300 B5R0.3 O=C(CO)CF 1458a_100000210174_100015361967 [0,1,0,0,0,0|2,0,0]=3 301 B5R0.4 CC(C)(C)N[13CH3] 2230a_100000715429_200025704644 [0,1,0,0,0,0|2,0,1]=4 302 B5R0.4 CC(C)(C)O[13CH3] 34a_100015890283_200025704644 [0,1,0,0,0,0|1,0,1]=3 303 B5R0.4 CC(C)(C)O[13CH3] 7a_100015890283_200025704644 [0,1,0,0,0,0|1,0,1]=3 304 B5R0.4 CC(C)(C)S[13CH3] 62a_100000211941_200025704644 [0,1,0,0,0,0|1,1,1]=4 305 B5R0.4 CC(C)(C)S[13CH3] 62a_200025704644_100000211941 [0,1,0,0,0,0|1,1,1]=4 306 B5R0.4 CNC(C)(C)C 2230a_100000715429_200000210301 [0,1,0,0,0,0|2,0,1]=4 307 B5R0.4 CNC(C)(C)C 34a_100102657272_100000210625 [0,1,0,0,0,0|2,0,1]=4 308 B5R0.4 CNS(=O)(=O)C 40a_100102657272_100000738038 [0,1,0,0,0,0|2,0,0]=3 309 B5R0.4 COC(C)(C)C 34a_100015890283_200000210301 [0,1,0,0,0,0|1,0,1]=3 310 B5R0.4 COC(C)(C)C 34a_100138415774_100000210625 [0,1,0,0,0,0|1,0,1]=3 311 B5R0.4 COC(C)(C)C 7a_100015890283_200000210301 [0,1,0,0,0,0|1,0,1]=3 312 B5R0.4 COC(F)(F)F 34a_100138415774_200103152311 [0,1,0,0,0,0|2,0,1]=4 313 B5R0.4 CSC(C)(C)C 62a_100000211941_200000210301 [0,1,0,0,0,0|1,1,1]=4 314 B5R0.4 CSC(C)(C)C 62a_200000210301_100000211941 [0,1,0,0,0,0|1,1,1]=4 315 B5R0.5 C=C(C)C(=O)C 1458a_100000185857_200000210301 [0,1,0,0,0,0|1,0,0]=2 316 B5R0.5 C=C(C)C(=O)[13CH3] 1458a_100000185857_200025704644 [0,1,0,0,0,0|1,0,0]=2 317 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [0,1,0,0,0,0|1,0,0]=2 318 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [0,1,0,0,0,0|1,0,0]=2 319 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [0,1,0,0,0,0|1,0,0]=2 320 B5R0.5 CC(=O)C(O)O 1458a_100000233687_200000210301 [0,1,0,0,0,0|2,0,0]=3 321 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [0,1,0,0,0,0|1,0,0]=2 322 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [0,1,0,0,0,0|1,0,0]=2 323 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [0,1,0,0,0,0|1,0,0]=2 324 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [0,1,0,0,0,0|1,0,0]=2 325 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [0,1,0,0,0,0|1,0,0]=2 326 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [0,1,0,0,0,0|1,0,0]=2 327 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [0,1,0,0,0,0|1,0,0]=2 328 B5R0.5 CC(C)N(C)C 2230a_100102631434_100000210206 [0,1,0,0,0,0|2,0,1]=4 329 B5R0.5 CC(C)N(C)C 269982a_100102631434_100000210206 [0,1,0,0,0,0|2,0,1]=4 330 B5R0.5 CC(C)N(C)C 269982a_200000211004_200000210301 [0,1,0,0,0,0|2,0,1]=4 331 B5R0.5 CC(C)N(C)[13CH3] 269982a_200000211004_200025704644 [0,1,0,0,0,0|2,0,1]=4 332 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [0,1,0,0,0,0|1,0,0]=2 333 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [0,1,0,0,0,0|1,0,0]=2 334 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [0,1,0,0,0,0|1,0,0]=2 335 B5R0.5 [13CH3]C(=O)C(O)O 1458a_100000233687_200025704644 [0,1,0,0,0,0|2,0,0]=3 336 B5R1.2 CN1CCC1 269982a_100000754969_200000210301 [0,0,0,1,0,0|3,0,0]=4 337 B5R1.2 [13CH3]N1CCC1 269982a_100000754969_200025704644 [0,0,0,1,0,0|3,0,0]=4 338 B5R1.3 CNC1CC1 34a_100000212008_200000210301 [0,0,0,1,0,0|2,0,1]=4 339 B5R1.3 CNC1CC1 34a_100102657272_100000211595 [0,0,0,1,0,0|2,0,1]=4 340 B5R1.3 COC1CC1 34a_100138415774_100000211595 [0,0,0,1,0,0|1,0,1]=3 341 B5R1.3 CSC1CC1 62a_200000210301_100000211595 [0,0,0,1,0,0|1,1,1]=4 342 B5R1.3 [13CH3]NC1CC1 34a_100000212008_200025704644 [0,0,0,1,0,0|2,0,1]=4 343 B5R1.3 [13CH3]SC1CC1 62a_200025704644_100000211595 [0,0,0,1,0,0|1,1,1]=4 344 B2R0.1 CNC 2230a_106832991635_200000210301 [2,0,0,0,0,0|1,0,0]=3 345 B2R0.1 CNC 34a_100102657272_200000210301 [2,0,0,0,0,0|1,0,0]=3 346 B2R0.1 CNC 7a_106832991635_200000210301 [2,0,0,0,0,0|1,0,0]=3 347 B2R0.1 CN[13CH3] 2230a_106832991635_200025704644 [2,0,0,0,0,0|1,0,0]=3 348 B2R0.1 CN[13CH3] 34a_100102657272_200025704644 [2,0,0,0,0,0|1,0,0]=3 349 B2R0.1 CN[13CH3] 7a_106832991635_200025704644 [2,0,0,0,0,0|1,0,0]=3 350 B2R0.1 COC 34a_100138415774_200000210301 [2,0,0,0,0,0|0,0,0]=2 351 B2R0.1 CO[13CH3] 34a_100138415774_200025704644 [2,0,0,0,0,0|0,0,0]=2 352 B2R0.1 CSC 62a_200000210301_200000210301 [2,0,0,0,0,0|0,1,0]=3 353 B2R0.1 CS[13CH3] 62a_200000210301_200025704644 [2,0,0,0,0,0|0,1,0]=3 354 B2R0.1 CS[13CH3] 62a_200025704644_200000210301 [2,0,0,0,0,0|0,1,0]=3 355 B2R0.1 [13CH3]S[13CH3] 62a_200025704644_200025704644 [2,0,0,0,0,0|0,1,0]=3 356 B4R0.2 C#CCOC 34a_100000210247_200000210301 [1,1,0,0,0,0|0,0,2]=4 357 B4R0.2 C#CCOC 34a_100138415774_100000184674 [1,1,0,0,0,0|0,0,2]=4 358 B4R0.2 C#CCO[13CH3] 34a_100000210247_200025704644 [1,1,0,0,0,0|0,0,2]=4 359 B4R0.2 C=CCNC 2230a_100020586998_200000210301 [1,1,0,0,0,0|1,0,1]=4 360 B4R0.2 C=CCNC 2230a_106832991635_100000210623 [1,1,0,0,0,0|1,0,1]=4 361 B4R0.2 C=CCNC 34a_100102657272_100015514636 [1,1,0,0,0,0|1,0,1]=4 362 B4R0.2 C=CCNC 7a_106832991635_100015514636 [1,1,0,0,0,0|1,0,1]=4 363 B4R0.2 C=CCN[13CH3] 2230a_100020586998_200025704644 [1,1,0,0,0,0|1,0,1]=4 364 B4R0.2 C=CCOC 34a_100138415774_100015514636 [1,1,0,0,0,0|0,0,1]=3 365 B4R0.2 C=CCOC 34a_200000210373_200000210301 [1,1,0,0,0,0|0,0,1]=3 366 B4R0.2 C=CCO[13CH3] 34a_200000210373_200025704644 [1,1,0,0,0,0|0,0,1]=3 367 B4R0.2 C=CCSC 62a_100000210623_200000210301 [1,1,0,0,0,0|0,1,1]=4 368 B4R0.2 C=CCSC 62a_200000210301_100000210623 [1,1,0,0,0,0|0,1,1]=4 369 B4R0.2 C=CCS[13CH3] 62a_100000210623_200025704644 [1,1,0,0,0,0|0,1,1]=4 370 B4R0.2 C=CCS[13CH3] 62a_200025704644_100000210623 [1,1,0,0,0,0|0,1,1]=4 371 B4R0.2 CCCNC 2230a_106832991635_100000210303 [1,1,0,0,0,0|1,0,1]=4 372 B4R0.2 CCCNC 34a_100102657272_100000210303 [1,1,0,0,0,0|1,0,1]=4 373 B4R0.2 CCCNC 7a_106832991635_100000210303 [1,1,0,0,0,0|1,0,1]=4 374 B4R0.2 CCCOC 34a_100000210258_200000210301 [1,1,0,0,0,0|0,0,1]=3 375 B4R0.2 CCCOC 34a_100138415774_100000210303 [1,1,0,0,0,0|0,0,1]=3 376 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [1,1,0,0,0,0|0,0,1]=3 377 B4R0.2 CCCSC 62a_100000210303_200000210301 [1,1,0,0,0,0|0,1,1]=4 378 B4R0.2 CCCSC 62a_200000210301_100000210303 [1,1,0,0,0,0|0,1,1]=4 379 B4R0.2 CCCS[13CH3] 62a_100000210303_200025704644 [1,1,0,0,0,0|0,1,1]=4 380 B4R0.2 CCCS[13CH3] 62a_200025704644_100000210303 [1,1,0,0,0,0|0,1,1]=4 381 B4R0.2 CCNCC 2230a_100015525214_100000210202 [1,1,0,0,0,0|1,0,1]=4 382 B4R0.2 CCOCC 34a_100121572206_100000210202 [1,1,0,0,0,0|0,0,1]=3 383 B4R0.2 CCOCF 34a_100121572206_100015361967 [1,1,0,0,0,0|0,0,1]=3 384 B4R0.2 CCSCC 62a_100000210202_100000210202 [1,1,0,0,0,0|0,1,1]=4 385 B4R0.2 CCSCF 62a_100000210202_100015361967 [1,1,0,0,0,0|0,1,1]=4 386 B4R0.2 CCSCF 62a_100015361967_100000210202 [1,1,0,0,0,0|0,1,1]=4 387 B4R0.2 CNCC=O 2230a_106832991635_200015260668 [1,1,0,0,0,0|1,0,0]=3 388 B4R0.2 CNCC=O 34a_100102657272_200009817547 [1,1,0,0,0,0|1,0,0]=3 389 B4R0.2 CNCC=O 7a_106832991635_200015260668 [1,1,0,0,0,0|1,0,0]=3 390 B4R0.2 CNCCF 2230a_106832991635_100011217306 [1,1,0,0,0,0|1,0,1]=4 391 B4R0.2 CNCCF 34a_100000724931_200000210301 [1,1,0,0,0,0|1,0,1]=4 392 B4R0.2 CNCCF 34a_100102657272_100011217306 [1,1,0,0,0,0|1,0,1]=4 393 B4R0.2 CNCCF 7a_106832991635_100011217306 [1,1,0,0,0,0|1,0,1]=4 394 B4R0.2 CNCCO 2230a_100016997473_200000210301 [1,1,0,0,0,0|1,0,1]=4 395 B4R0.2 CNCCO 2230a_106832991635_100000211926 [1,1,0,0,0,0|1,0,1]=4 396 B4R0.2 CNCCO 34a_100016990907_200000210301 [1,1,0,0,0,0|1,0,1]=4 397 B4R0.2 CNCCO 34a_100102657272_100000211926 [1,1,0,0,0,0|1,0,1]=4 398 B4R0.2 CNCCO 7a_106832991635_100000211926 [1,1,0,0,0,0|1,0,1]=4 399 B4R0.2 CNCOC 2230a_106832991635_100000766300 [1,1,0,0,0,0|0,0,1]=3 400 B4R0.2 CNCSC 2230a_106832991635_100011218213 [1,1,0,0,0,0|0,1,1]=4 401 B4R0.2 CNCSC 34a_100102657272_100011218213 [1,1,0,0,0,0|0,1,1]=4 402 B4R0.2 COCC=O 34a_100138415774_200009817547 [1,1,0,0,0,0|0,0,0]=2 403 B4R0.2 COCCBr 34a_100000211926_200000210301 [1,1,0,0,0,0|0,0,1]=3 404 B4R0.2 COCCF 34a_100138415774_100011217306 [1,1,0,0,0,0|0,0,1]=3 405 B4R0.2 COCCN 34a_100000210304_200000210301 [1,1,0,0,0,0|0,0,1]=3 406 B4R0.2 COCCO 34a_100138415774_100000211926 [1,1,0,0,0,0|0,0,1]=3 407 B4R0.2 COCSC 34a_100138415774_100011218213 [1,1,0,0,0,0|0,0,1]=3 408 B4R0.2 COCSC 62a_100000766300_200000210301 [1,1,0,0,0,0|0,0,1]=3 409 B4R0.2 COCSC 62a_200000210301_100000766300 [1,1,0,0,0,0|0,0,1]=3 410 B4R0.2 COCS[13CH3] 62a_100000766300_200025704644 [1,1,0,0,0,0|0,0,1]=3 411 B4R0.2 COCS[13CH3] 62a_200025704644_100000766300 [1,1,0,0,0,0|0,0,1]=3 412 B4R0.2 CSCC=O 62a_200000210301_200015260668 [1,1,0,0,0,0|0,1,0]=3 413 B4R0.2 CSCC=O 62a_200015260668_200000210301 [1,1,0,0,0,0|0,1,0]=3 414 B4R0.2 CSCCF 62a_100011217306_200000210301 [1,1,0,0,0,0|0,1,1]=4 415 B4R0.2 CSCCF 62a_200000210301_100011217306 [1,1,0,0,0,0|0,1,1]=4 416 B4R0.2 CSCCO 62a_100000211926_200000210301 [1,1,0,0,0,0|0,1,1]=4 417 B4R0.2 CSCCO 62a_200000210301_100000211926 [1,1,0,0,0,0|0,1,1]=4 418 B4R0.2 CSCSC 62a_100011218213_200000210301 [1,1,0,0,0,0|0,1,1]=4 419 B4R0.2 CSCSC 62a_200000210301_100011218213 [1,1,0,0,0,0|0,1,1]=4 420 B4R0.2 CSCS[13CH3] 62a_100011218213_200025704644 [1,1,0,0,0,0|0,1,1]=4 421 B4R0.2 CSCS[13CH3] 62a_200025704644_100011218213 [1,1,0,0,0,0|0,1,1]=4 422 B4R0.2 [13CH3]NCCF 34a_100000724931_200025704644 [1,1,0,0,0,0|1,0,1]=4 423 B4R0.2 [13CH3]NCCO 2230a_100016997473_200025704644 [1,1,0,0,0,0|1,0,1]=4 424 B4R0.2 [13CH3]NCCO 34a_100016990907_200025704644 [1,1,0,0,0,0|1,0,1]=4 425 B4R0.2 [13CH3]OCCBr 34a_100000211926_200025704644 [1,1,0,0,0,0|0,0,1]=3 426 B4R0.2 [13CH3]OCCN 34a_100000210304_200025704644 [1,1,0,0,0,0|0,0,1]=3 427 B4R0.2 [13CH3]SCC=O 62a_200015260668_200025704644 [1,1,0,0,0,0|0,1,0]=3 428 B4R0.2 [13CH3]SCC=O 62a_200025704644_200015260668 [1,1,0,0,0,0|0,1,0]=3 429 B4R0.2 [13CH3]SCCF 62a_100011217306_200025704644 [1,1,0,0,0,0|0,1,1]=4 430 B4R0.2 [13CH3]SCCF 62a_200025704644_100011217306 [1,1,0,0,0,0|0,1,1]=4 431 B4R0.2 [13CH3]SCCO 62a_100000211926_200025704644 [1,1,0,0,0,0|0,1,1]=4 432 B4R0.2 [13CH3]SCCO 62a_200025704644_100000211926 [1,1,0,0,0,0|0,1,1]=4 433 B6R0.1 C#CC(=O)CC#N 1458a_100000211873_100011214920 [0,2,0,0,0,0|1,0,1]=4 434 B6R0.1 C#CC(=O)CC=C 1458a_100000211873_100000210623 [0,2,0,0,0,0|1,0,1]=4 435 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [0,2,0,0,0,0|1,0,1]=4 436 B6R0.1 C#CC(=O)CCF 1458a_100000211873_100011217306 [0,2,0,0,0,0|1,0,1]=4 437 B6R0.1 C#CC(=O)CCO 1458a_100000211873_100000211926 [0,2,0,0,0,0|1,0,1]=4 438 B6R0.1 C#CC(C)OCC 34a_100121572206_200000035995 [0,2,0,0,0,0|1,0,1]=4 439 B6R0.1 C#CCC(=O)C#C 1458a_100000211873_100000184674 [0,2,0,0,0,0|1,0,1]=4 440 B6R0.1 C#CCC(=O)C=C 1458a_100000185746_100000184674 [0,2,0,0,0,0|1,0,1]=4 441 B6R0.1 C#CCC(=O)CC 1458a_100000210414_100000184674 [0,2,0,0,0,0|1,0,0]=3 442 B6R0.1 C#CCC(=O)CC 1458a_100011220946_100000210202 [0,2,0,0,0,0|1,0,0]=3 443 B6R0.1 C#CCC(=O)CF 1458a_100011220946_100015361967 [0,2,0,0,0,0|1,0,1]=4 444 B6R0.1 C#CCC(=O)CO 1458a_100000210174_100000184674 [0,2,0,0,0,0|1,0,1]=4 445 B6R0.1 C#CCC(=O)NC 1626a_100102657272_100011220946 [0,2,0,0,0,0|1,0,0]=3 446 B6R0.1 C#CCC(=O)NC 527a_100102657272_100011220946 [0,2,0,0,0,0|1,0,0]=3 447 B6R0.1 C#CCC(C)OC 34a_100000685586_200000210301 [0,2,0,0,0,0|1,0,1]=4 448 B6R0.1 C#CCC(C)OC 7a_100000685586_200000210301 [0,2,0,0,0,0|1,0,1]=4 449 B6R0.1 C#CCC(C)O[13CH3] 34a_100000685586_200025704644 [0,2,0,0,0,0|1,0,1]=4 450 B6R0.1 C#CCC(C)O[13CH3] 7a_100000685586_200025704644 [0,2,0,0,0,0|1,0,1]=4 451 B6R0.1 C#C[C@@H](C)OCC 34a_100009815206_100000210202 [0,2,0,0,0,0|1,0,1]=4 452 B6R0.1 C#C[C@@H](C)OCC 7a_100009815206_100000210202 [0,2,0,0,0,0|1,0,1]=4 453 B6R0.1 C#C[C@@H](C)OCF 34a_100009815206_100015361967 [0,2,0,0,0,0|1,0,1]=4 454 B6R0.1 C#C[C@@H](C)OCF 7a_100009815206_100015361967 [0,2,0,0,0,0|1,0,1]=4 455 B6R0.1 C/C=C/C(C)OC 34a_200102604097_200000210301 [0,2,0,0,0,0|1,0,1]=4 456 B6R0.1 C/C=C/C(C)O[13CH3] 34a_200102604097_200025704644 [0,2,0,0,0,0|1,0,1]=4 457 B6R0.1 C=C(C#N)COC 34a_100138415774_100000694840 [0,2,0,0,0,0|1,0,1]=4 458 B6R0.1 C=CC(=O)CC#N 1458a_100000185746_100011214920 [0,2,0,0,0,0|1,0,1]=4 459 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [0,2,0,0,0,0|1,0,1]=4 460 B6R0.1 C=CC(=O)CCF 1458a_100000185746_100011217306 [0,2,0,0,0,0|1,0,1]=4 461 B6R0.1 C=CC(=O)CCO 1458a_100000185746_100000211926 [0,2,0,0,0,0|1,0,1]=4 462 B6R0.1 C=CC(=O)NCC 240690a_100015525214_200121576911 [0,2,0,0,0,0|1,0,1]=4 463 B6R0.1 C=CC(=O)NNC 22a_100016993582_100000185746 [0,2,0,0,0,0|1,0,1]=4 464 B6R0.1 C=CC(C)COC 34a_100011215527_200000210301 [0,2,0,0,0,0|1,0,1]=4 465 B6R0.1 C=CC(C)COC 7a_100011215527_200000210301 [0,2,0,0,0,0|1,0,1]=4 466 B6R0.1 C=CC(C)CO[13CH3] 34a_100011215527_200025704644 [0,2,0,0,0,0|1,0,1]=4 467 B6R0.1 C=CC(C)CO[13CH3] 7a_100011215527_200025704644 [0,2,0,0,0,0|1,0,1]=4 468 B6R0.1 C=CC(C)OCC 34a_100000695699_100000210202 [0,2,0,0,0,0|1,0,1]=4 469 B6R0.1 C=CC(C)OCF 34a_100000695699_100015361967 [0,2,0,0,0,0|1,0,1]=4 470 B6R0.1 C=CCC(=O)C=C 1458a_100000185746_100000210623 [0,2,0,0,0,0|1,0,1]=4 471 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [0,2,0,0,0,0|1,0,0]=3 472 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [0,2,0,0,0,0|1,0,0]=3 473 B6R0.1 C=CCC(=O)CF 1458a_100000210193_100015361967 [0,2,0,0,0,0|1,0,1]=4 474 B6R0.1 C=CCC(=O)CO 1458a_100000210174_100000210623 [0,2,0,0,0,0|1,0,1]=4 475 B6R0.1 C=CCC(=O)NC 11a_106832991635_100000210193 [0,2,0,0,0,0|1,0,0]=3 476 B6R0.1 C=CCC(=O)NC 1626a_100102657272_100000210193 [0,2,0,0,0,0|1,0,0]=3 477 B6R0.1 C=CCC(=O)NC 240690a_100102657272_100000210193 [0,2,0,0,0,0|1,0,0]=3 478 B6R0.1 C=CCC(=O)NC 527a_100102657272_100000210193 [0,2,0,0,0,0|1,0,0]=3 479 B6R0.1 C=CC[C@@H](C)OC 34a_100000731007_200000210301 [0,2,0,0,0,0|1,0,1]=4 480 B6R0.1 C=CC[C@@H](C)OC 7a_100000731007_200000210301 [0,2,0,0,0,0|1,0,1]=4 481 B6R0.1 C=CC[C@@H](C)O[13CH3] 34a_100000731007_200025704644 [0,2,0,0,0,0|1,0,1]=4 482 B6R0.1 C=CC[C@@H](C)O[13CH3] 7a_100000731007_200025704644 [0,2,0,0,0,0|1,0,1]=4 483 B6R0.1 CC#CC(=O)CC 1458a_100000763181_100000210202 [0,2,0,0,0,0|1,0,0]=3 484 B6R0.1 CC#CC(=O)CF 1458a_100000763181_100015361967 [0,2,0,0,0,0|1,0,0]=3 485 B6R0.1 CC#CC(C)OC 34a_100011216543_200000210301 [0,2,0,0,0,0|1,0,1]=4 486 B6R0.1 CC#CC(C)O[13CH3] 34a_100011216543_200025704644 [0,2,0,0,0,0|1,0,1]=4 487 B6R0.1 CC(C#N)OCF 34a_100011218135_100015361967 [0,2,0,0,0,0|1,0,1]=4 488 B6R0.1 CC(CCBr)O[13CH3] 34a_100012276601_200025704644 [0,2,0,0,0,0|1,0,1]=4 489 B6R0.1 CC(CF)OCF 34a_100016041109_100015361967 [0,2,0,0,0,0|1,0,1]=4 490 B6R0.1 CC(CF)OCF 7a_100016041109_100015361967 [0,2,0,0,0,0|1,0,1]=4 491 B6R0.1 CC(CN)CO[13CH3] 34a_100000744482_200025704644 [0,2,0,0,0,0|1,0,1]=4 492 B6R0.1 CC(CN)OCF 34a_100000210904_100015361967 [0,2,0,0,0,0|1,0,1]=4 493 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [0,2,0,0,0,0|1,0,0]=3 494 B6R0.1 CC=CC(=O)CF 1458a_100000210699_100015361967 [0,2,0,0,0,0|1,0,0]=3 495 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [0,2,0,0,0,0|1,0,0]=3 496 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [0,2,0,0,0,0|1,0,0]=3 497 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [0,2,0,0,0,0|1,0,0]=3 498 B6R0.1 CCC(=O)C=CBr 1458a_100016273825_100000210202 [0,2,0,0,0,0|1,0,1]=4 499 B6R0.1 CCC(=O)C=CCl 1458a_200016279998_100000210202 [0,2,0,0,0,0|1,0,1]=4 500 B6R0.1 CCC(=O)C=CI 1458a_100016256311_100000210202 [0,2,0,0,0,0|1,0,1]=4 501 B6R0.1 CCC(=O)CC#N 1458a_100000210414_100011214920 [0,2,0,0,0,0|1,0,0]=3 502 B6R0.1 CCC(=O)CC#N 1458a_100051588842_100000210202 [0,2,0,0,0,0|1,0,0]=3 503 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [0,2,0,0,0,0|1,0,0]=3 504 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [0,2,0,0,0,0|1,0,0]=3 505 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [0,2,0,0,0,0|1,0,0]=3 506 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [0,2,0,0,0,0|1,0,0]=3 507 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [0,2,0,0,0,0|0,0,0]=2 508 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [0,2,0,0,0,0|0,0,0]=2 509 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [0,2,0,0,0,0|0,0,0]=2 510 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [0,2,0,0,0,0|0,1,0]=3 511 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [0,2,0,0,0,0|0,1,0]=3 512 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [0,2,0,0,0,0|0,1,0]=3 513 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [0,2,0,0,0,0|0,1,0]=3 514 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [0,2,0,0,0,0|0,1,0]=3 515 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [0,2,0,0,0,0|1,0,0]=3 516 B6R0.1 CCC(C)COC 34a_100138415774_100000748023 [0,2,0,0,0,0|1,0,1]=4 517 B6R0.1 CCC(C)OCF 7a_100000210228_100015361967 [0,2,0,0,0,0|1,0,1]=4 518 B6R0.1 CCC(O)COC 34a_100138415774_100011218378 [0,2,0,0,0,0|0,0,2]=4 519 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [0,2,0,0,0,0|1,0,0]=3 520 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [0,2,0,0,0,0|1,0,0]=3 521 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [0,2,0,0,0,0|1,0,0]=3 522 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [0,2,0,0,0,0|1,0,0]=3 523 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [0,2,0,0,0,0|1,0,0]=3 524 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [0,2,0,0,0,0|1,0,0]=3 525 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [0,2,0,0,0,0|1,0,0]=3 526 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [0,2,0,0,0,0|1,0,0]=3 527 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [0,2,0,0,0,0|1,0,1]=4 528 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [0,2,0,0,0,0|1,0,1]=4 529 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [0,2,0,0,0,0|1,0,1]=4 530 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [0,2,0,0,0,0|1,0,1]=4 531 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [0,2,0,0,0,0|1,0,1]=4 532 B6R0.1 CCN(C)CC=O 2230a_100000225621_200015260668 [0,2,0,0,0,0|2,0,0]=4 533 B6R0.1 CCN(C)CC=O 269982a_100000225621_200015260668 [0,2,0,0,0,0|2,0,0]=4 534 B6R0.1 CCN(C)COC 2230a_100000225621_100000766300 [0,2,0,0,0,0|2,0,0]=4 535 B6R0.1 CCN(C)COC 269982a_100000225621_100000766300 [0,2,0,0,0,0|2,0,0]=4 536 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [0,2,0,0,0,0|1,0,0]=3 537 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [0,2,0,0,0,0|1,0,0]=3 538 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [0,2,0,0,0,0|1,0,0]=3 539 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [0,2,0,0,0,0|1,0,0]=3 540 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [0,2,0,0,0,0|1,0,0]=3 541 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [0,2,0,0,0,0|1,0,0]=3 542 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [0,2,0,0,0,0|1,0,0]=3 543 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [0,2,0,0,0,0|1,0,0]=3 544 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [0,2,0,0,0,0|1,0,0]=3 545 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [0,2,0,0,0,0|1,0,0]=3 546 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [0,2,0,0,0,0|1,0,0]=3 547 B6R0.1 CCOC(C)C#N 34a_100011218135_100000210202 [0,2,0,0,0,0|1,0,1]=4 548 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [0,2,0,0,0,0|1,0,1]=4 549 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [0,2,0,0,0,0|1,0,1]=4 550 B6R0.1 CCOC(C)CF 34a_100016041109_100000210202 [0,2,0,0,0,0|1,0,1]=4 551 B6R0.1 CCOC(C)CF 7a_100016041109_100000210202 [0,2,0,0,0,0|1,0,1]=4 552 B6R0.1 CCOC(C)CN 34a_100000210904_100000210202 [0,2,0,0,0,0|1,0,1]=4 553 B6R0.1 CCOC(C)CO 34a_100121572206_100012180447 [0,2,0,0,0,0|0,0,2]=4 554 B6R0.1 CCSC(C)OC 62a_100000210202_100009879195 [0,2,0,0,0,0|0,1,1]=4 555 B6R0.1 CCSC(C)OC 62a_100009879195_100000210202 [0,2,0,0,0,0|0,1,1]=4 556 B6R0.1 CC[C@H](C)COC 34a_100138415774_100009816398 [0,2,0,0,0,0|1,0,1]=4 557 B6R0.1 CC[C@H](C)COC 7a_100009816381_200000210301 [0,2,0,0,0,0|1,0,1]=4 558 B6R0.1 CC[C@H](C)CO[13CH3] 7a_100009816381_200025704644 [0,2,0,0,0,0|1,0,1]=4 559 B6R0.1 CNC(=O)C=CBr 1626a_100102657272_100016273825 [0,2,0,0,0,0|1,0,1]=4 560 B6R0.1 CNC(=O)C=CBr 240690a_100102657272_100016273825 [0,2,0,0,0,0|1,0,1]=4 561 B6R0.1 CNC(=O)C=CCl 11a_106832991635_200016279998 [0,2,0,0,0,0|1,0,1]=4 562 B6R0.1 CNC(=O)C=CCl 1626a_100102657272_200016279998 [0,2,0,0,0,0|1,0,1]=4 563 B6R0.1 CNC(=O)C=CCl 240690a_100102657272_200016279998 [0,2,0,0,0,0|1,0,1]=4 564 B6R0.1 CNC(=O)C=CI 1626a_100102657272_100016256311 [0,2,0,0,0,0|1,0,1]=4 565 B6R0.1 CNC(=O)CC#N 1626a_100102657272_100051588842 [0,2,0,0,0,0|1,0,0]=3 566 B6R0.1 CNC(=O)CC#N 240690a_100102657272_100051588842 [0,2,0,0,0,0|1,0,0]=3 567 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [0,2,0,0,0,0|1,0,0]=3 568 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [0,2,0,0,0,0|1,0,0]=3 569 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [0,2,0,0,0,0|0,0,0]=2 570 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [0,2,0,0,0,0|0,0,0]=2 571 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [0,2,0,0,0,0|0,0,0]=2 572 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [0,2,0,0,0,0|0,0,0]=2 573 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [0,2,0,0,0,0|0,0,0]=2 574 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [0,2,0,0,0,0|0,0,0]=2 575 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [0,2,0,0,0,0|0,0,0]=2 576 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [0,2,0,0,0,0|0,1,0]=3 577 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [0,2,0,0,0,0|0,1,0]=3 578 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [0,2,0,0,0,0|0,1,0]=3 579 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [0,2,0,0,0,0|0,1,0]=3 580 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [0,2,0,0,0,0|0,1,0]=3 581 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [0,2,0,0,0,0|0,1,0]=3 582 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [0,2,0,0,0,0|0,1,0]=3 583 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [0,2,0,0,0,0|0,1,0]=3 584 B6R0.1 CNC(C)COC 2230a_106832991635_100000765312 [0,2,0,0,0,0|1,0,1]=4 585 B6R0.1 CNC(C)COC 270004a_106832991635_100000749346 [0,2,0,0,0,0|1,0,1]=4 586 B6R0.1 CNC(C)COC 34a_100102657272_100000765312 [0,2,0,0,0,0|1,0,1]=4 587 B6R0.1 CNC(C)COC 7a_106832991635_100000765312 [0,2,0,0,0,0|1,0,1]=4 588 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [0,2,0,0,0,0|1,0,0]=3 589 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [0,2,0,0,0,0|1,0,0]=3 590 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [0,2,0,0,0,0|1,0,0]=3 591 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [0,2,0,0,0,0|1,0,0]=3 592 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [0,2,0,0,0,0|0,0,0]=2 593 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [0,2,0,0,0,0|0,0,0]=2 594 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [0,2,0,0,0,0|0,0,0]=2 595 B6R0.1 CNC[C@@H](C)OC 2230a_100020591295_200000210301 [0,2,0,0,0,0|1,0,1]=4 596 B6R0.1 CNNC(=O)CO 22a_100016993582_100000210174 [0,2,0,0,0,0|1,0,0]=3 597 B6R0.1 CNNC(=O)NC 273464a_100102657272_100016993582 [0,2,0,0,0,0|1,0,0]=3 598 B6R0.1 CNNC(=O)NC 512a_100016993582_100102657272 [0,2,0,0,0,0|1,0,0]=3 599 B6R0.1 CNNC(=O)NC 512a_106832991638_100016993582 [0,2,0,0,0,0|1,0,0]=3 600 B6R0.1 CN[C@H](C)COC 2230a_100000764878_200000210301 [0,2,0,0,0,0|1,0,1]=4 601 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [0,2,0,0,0,0|0,0,0]=2 602 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [0,2,0,0,0,0|0,0,0]=2 603 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [0,2,0,0,0,0|0,0,0]=2 604 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [0,2,0,0,0,0|0,0,0]=2 605 B6R0.1 COC(C)CCBr 34a_100012276601_200000210301 [0,2,0,0,0,0|1,0,1]=4 606 B6R0.1 COC(C)CCO 34a_100138415774_100009893172 [0,2,0,0,0,0|0,0,2]=4 607 B6R0.1 COC(C)CO[13CH3] 34a_100000690652_200025704644 [0,2,0,0,0,0|0,0,2]=4 608 B6R0.1 COC(C)SCF 62a_100009879195_100015361967 [0,2,0,0,0,0|0,1,1]=4 609 B6R0.1 COC(C)SCF 62a_100015361967_100009879195 [0,2,0,0,0,0|0,1,1]=4 610 B6R0.1 COCC(=O)CF 1458a_100000210968_100015361967 [0,2,0,0,0,0|0,0,0]=2 611 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [0,2,0,0,0,0|0,0,0]=2 612 B6R0.1 COCC(C)CN 34a_100000744482_200000210301 [0,2,0,0,0,0|1,0,1]=4 613 B6R0.1 COCC(C)OC 34a_100000690652_200000210301 [0,2,0,0,0,0|0,0,2]=4 614 B6R0.1 COCC(C)OC 34a_100138415774_100000765312 [0,2,0,0,0,0|0,0,2]=4 615 B6R0.1 COCC(C)SC 62a_100000765312_200000210301 [0,2,0,0,0,0|0,1,1]=4 616 B6R0.1 COCC(C)SC 62a_200000210301_100000765312 [0,2,0,0,0,0|0,1,1]=4 617 B6R0.1 COCC(C)S[13CH3] 62a_100000765312_200025704644 [0,2,0,0,0,0|0,1,1]=4 618 B6R0.1 COCC(C)S[13CH3] 62a_200025704644_100000765312 [0,2,0,0,0,0|0,1,1]=4 619 B6R0.1 COCC(Cl)CCl 34a_100000033668_200000210301 [0,2,0,0,0,0|1,0,1]=4 620 B6R0.1 COCC(O)CO 34a_100138415774_100011219619 [0,2,0,0,0,0|0,0,2]=4 621 B6R0.1 COC[C@@H](C)CO 34a_100138415774_100000059175 [0,2,0,0,0,0|0,0,2]=4 622 B6R0.1 COC[C@@H](C)N[13CH3] 2230a_100000764878_200025704644 [0,2,0,0,0,0|1,0,1]=4 623 B6R0.1 COC[C@@H](C)OC 34a_100011934205_200000210301 [0,2,0,0,0,0|0,0,2]=4 624 B6R0.1 COC[C@@H](C)O[13CH3] 34a_100011934205_200025704644 [0,2,0,0,0,0|0,0,2]=4 625 B6R0.1 COC[C@@H](O)CF 34a_100138415774_100015614560 [0,2,0,0,0,0|0,0,2]=4 626 B6R0.1 COC[C@@H](O)CO 34a_100138415774_100009815848 [0,2,0,0,0,0|0,0,2]=4 627 B6R0.1 COC[C@H](F)CN 34a_100015665980_200000210301 [0,2,0,0,0,0|1,0,1]=4 628 B6R0.1 CO[C@H](C)CN[13CH3] 2230a_100020591295_200025704644 [0,2,0,0,0,0|1,0,1]=4 629 B6R0.1 CSCC(=O)CF 1458a_100000184570_100015361967 [0,2,0,0,0,0|0,1,0]=3 630 B6R0.1 N#CCC(=O)CF 1458a_100051588842_100015361967 [0,2,0,0,0,0|1,0,1]=4 631 B6R0.1 N#CCC(=O)CO 1458a_100000210174_100011214920 [0,2,0,0,0,0|1,0,1]=4 632 B6R0.1 O=C(C=CBr)CF 1458a_100016273825_100015361967 [0,2,0,0,0,0|1,0,1]=4 633 B6R0.1 O=C(C=CCl)CF 1458a_200016279998_100015361967 [0,2,0,0,0,0|1,0,1]=4 634 B6R0.1 O=C(C=CI)CF 1458a_100016256311_100015361967 [0,2,0,0,0,0|1,0,1]=4 635 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [0,2,0,0,0,0|1,0,0]=3 636 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [0,2,0,0,0,0|1,0,0]=3 637 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [0,2,0,0,0,0|1,0,0]=3 638 B6R0.1 [13CH3]OCC(Cl)CCl 34a_100000033668_200025704644 [0,2,0,0,0,0|1,0,1]=4 639 B6R0.1 [13CH3]OC[C@H](F)CN 34a_100015665980_200025704644 [0,2,0,0,0,0|1,0,1]=4 640 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [0,2,0,0,0,0|1,0,0]=3 641 B6R0.2 C=C(C)CN(C)C 2230a_100000225649_200000210301 [0,2,0,0,0,0|2,0,0]=4 642 B6R0.2 C=C(C)CN(C)C 2230a_100102631434_100000748629 [0,2,0,0,0,0|2,0,0]=4 643 B6R0.2 C=C(C)CN(C)C 269982a_100000225649_200000210301 [0,2,0,0,0,0|2,0,0]=4 644 B6R0.2 C=C(C)CN(C)C 269982a_100102631434_100000748629 [0,2,0,0,0,0|2,0,0]=4 645 B6R0.2 C=C(C)CN(C)[13CH3] 2230a_100000225649_200025704644 [0,2,0,0,0,0|2,0,0]=4 646 B6R0.2 C=C(C)CN(C)[13CH3] 269982a_100000225649_200025704644 [0,2,0,0,0,0|2,0,0]=4 647 B6R0.2 C=C(F)CC(=O)C 1458a_100000070787_100009893438 [0,2,0,0,0,0|1,0,1]=4 648 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [0,2,0,0,0,0|1,0,0]=3 649 B6R0.2 CC(=CC(=O)[13CH3])Cl 1458a_200042562850_200025704644 [0,2,0,0,0,0|1,0,0]=3 650 B6R0.2 CC(=CC(=O)[13CH3])I 1458a_100025716642_200025704644 [0,2,0,0,0,0|1,0,0]=3 651 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [0,2,0,0,0,0|1,0,0]=3 652 B6R0.2 CC(=O)C=C(C)Cl 1458a_200042562850_200000210301 [0,2,0,0,0,0|1,0,0]=3 653 B6R0.2 CC(=O)C=C(C)I 1458a_100025716642_200000210301 [0,2,0,0,0,0|1,0,0]=3 654 B6R0.2 CC(=O)C=C(Cl)Cl 1458a_100000137448_200000210301 [0,2,0,0,0,0|1,0,1]=4 655 B6R0.2 CC(=O)CC(=O)N 1458a_100000070787_100000187820 [0,2,0,0,0,0|1,0,1]=4 656 B6R0.2 CC(=O)CC(=O)N 1458a_100134613110_200000210301 [0,2,0,0,0,0|1,0,1]=4 657 B6R0.2 CC(=O)CC(=O)[O-] 1458a_100000070787_100020667443 [0,2,0,0,0,0|1,0,1]=4 658 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [0,2,0,0,0,0|1,0,0]=3 659 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [0,2,0,0,0,0|1,0,0]=3 660 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [0,2,0,0,0,0|1,0,0]=3 661 B6R0.2 CC(=O)CC(F)F 1458a_100000070787_100011934356 [0,2,0,0,0,0|1,0,0]=3 662 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [0,2,0,0,0,0|1,0,0]=3 663 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [0,2,0,0,0,0|1,0,0]=3 664 B6R0.2 CC(=O)C[N+](=O)[O-] 1458a_100000070787_100000761209 [0,2,0,0,0,0|2,0,0]=4 665 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [0,2,0,0,0,0|0,1,0]=3 666 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [0,2,0,0,0,0|1,0,0]=3 667 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [0,2,0,0,0,0|1,0,0]=3 668 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [0,2,0,0,0,0|1,0,0]=3 669 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [0,2,0,0,0,0|1,0,0]=3 670 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [0,2,0,0,0,0|1,0,0]=3 671 B6R0.2 CC(C)OC(C)C 34a_100000212225_100000210206 [0,2,0,0,0,0|1,0,1]=4 672 B6R0.2 CN(C)CC(=O)N 2230a_100000739694_200000210301 [0,2,0,0,0,0|2,0,0]=4 673 B6R0.2 CN(C)CC(=O)N 2230a_100102631434_100000747473 [0,2,0,0,0,0|2,0,0]=4 674 B6R0.2 CN(C)CC(=O)N 269982a_100102631434_100000187820 [0,2,0,0,0,0|2,0,0]=4 675 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [0,2,0,0,0,0|2,0,0]=4 676 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [0,2,0,0,0,0|1,0,0]=3 677 B6R0.2 CN(C)CC(=O)[O-] 269982a_100102631434_100020667443 [0,2,0,0,0,0|2,0,0]=4 678 B6R0.2 CN([13CH3])CC(=O)N 2230a_100000739694_200025704644 [0,2,0,0,0,0|2,0,0]=4 679 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [0,2,0,0,0,0|2,0,0]=4 680 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [0,2,0,0,0,0|1,0,0]=3 681 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [0,2,0,0,0,0|0,1,0]=3 682 B6R0.2 [13CH3]C(=O)C=C(Cl)Cl 1458a_100000137448_200025704644 [0,2,0,0,0,0|1,0,1]=4 683 B6R0.2 [13CH3]C(=O)CC(=O)N 1458a_100134613110_200025704644 [0,2,0,0,0,0|1,0,1]=4 684 B6R0.3 C#CC(=O)C(C)C 1458a_100000211873_100000210206 [0,2,0,0,0,0|1,0,1]=4 685 B6R0.3 C#CC(C)C(=O)C 1458a_100000070787_200000035995 [0,2,0,0,0,0|1,0,0]=3 686 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [0,2,0,0,0,0|1,0,0]=3 687 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [0,2,0,0,0,0|1,0,0]=3 688 B6R0.3 C=C(Br)C(=O)NC 11a_106832991635_100009813364 [0,2,0,0,0,0|1,0,1]=4 689 B6R0.3 C=C(Br)C(=O)NC 1626a_100102657272_100009813364 [0,2,0,0,0,0|1,0,1]=4 690 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [0,2,0,0,0,0|1,0,0]=3 691 B6R0.3 C=C(C)C(=O)CF 1458a_100000185857_100015361967 [0,2,0,0,0,0|1,0,0]=3 692 B6R0.3 C=C(C)C(=O)NC 11a_106832991635_100000185857 [0,2,0,0,0,0|1,0,0]=3 693 B6R0.3 C=C(C)C(=O)NC 1626a_100102657272_100000185857 [0,2,0,0,0,0|1,0,0]=3 694 B6R0.3 C=C(C)C(C)NC 269862a_106832991636_100011216138 [0,2,0,0,0,0|2,0,0]=4 695 B6R0.3 C=C(Cl)C(=O)NC 11a_106832991635_100000039160 [0,2,0,0,0,0|1,0,1]=4 696 B6R0.3 C=C(Cl)C(=O)NC 1626a_100102657272_100000039160 [0,2,0,0,0,0|1,0,1]=4 697 B6R0.3 C=C(F)C(=O)NC 11a_106832991635_100000036797 [0,2,0,0,0,0|1,0,1]=4 698 B6R0.3 C=C(F)C(=O)NC 1626a_100102657272_100000036797 [0,2,0,0,0,0|1,0,1]=4 699 B6R0.3 C=CC(=O)C(C)C 1458a_100000185746_100000210206 [0,2,0,0,0,0|1,0,1]=4 700 B6R0.3 C=CC(=O)N(C)C 1626a_100102631434_100000185746 [0,2,0,0,0,0|1,0,1]=4 701 B6R0.3 C=CC(=O)N(C)C 240690a_100102631434_200121576911 [0,2,0,0,0,0|1,0,1]=4 702 B6R0.3 C=CC(C)C(=O)C 1458a_100011216780_200000210301 [0,2,0,0,0,0|1,0,0]=3 703 B6R0.3 C=CC(C)C(=O)[13CH3] 1458a_100011216780_200025704644 [0,2,0,0,0,0|1,0,0]=3 704 B6R0.3 CC(=O)C(C)C#N 1458a_100000070787_100000703298 [0,2,0,0,0,0|1,0,0]=3 705 B6R0.3 CC(=O)C(C)C#N 1458a_100000753662_200000210301 [0,2,0,0,0,0|1,0,0]=3 706 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [0,2,0,0,0,0|0,0,0]=2 707 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [0,2,0,0,0,0|0,1,0]=3 708 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [0,2,0,0,0,0|0,1,0]=3 709 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [0,2,0,0,0,0|1,0,0]=3 710 B6R0.3 CC(C#N)C(=O)[13CH3] 1458a_100000753662_200025704644 [0,2,0,0,0,0|1,0,0]=3 711 B6R0.3 CC(C)C(=O)CF 1458a_100000210198_100015361967 [0,2,0,0,0,0|1,0,0]=3 712 B6R0.3 CC(C)C(=O)CO 1458a_100000210174_100000210206 [0,2,0,0,0,0|1,0,0]=3 713 B6R0.3 CC(C)C(C)O[13CH3] 7a_100000748068_200025704644 [0,2,0,0,0,0|1,0,1]=4 714 B6R0.3 CC(F)C(=O)CF 1458a_100000062450_100015361967 [0,2,0,0,0,0|1,0,0]=3 715 B6R0.3 CC(S[13CH3])C(=O)N 62a_100000702099_200025704644 [0,2,0,0,0,0|0,1,1]=4 716 B6R0.3 CC(S[13CH3])C(=O)N 62a_200025704644_100000702099 [0,2,0,0,0,0|0,1,1]=4 717 B6R0.3 CCC(=O)C(C)C 1458a_100000210198_100000210202 [0,2,0,0,0,0|1,0,0]=3 718 B6R0.3 CCC(=O)C(C)C 1458a_100000210414_100000210206 [0,2,0,0,0,0|1,0,0]=3 719 B6R0.3 CCC(=O)C(C)F 1458a_100000062450_100000210202 [0,2,0,0,0,0|1,0,0]=3 720 B6R0.3 CCC(=O)C(O)O 1458a_100000233687_100000210202 [0,2,0,0,0,0|1,0,0]=3 721 B6R0.3 CCC(=O)N(C)C 11a_100102631434_100000210414 [0,2,0,0,0,0|1,0,0]=3 722 B6R0.3 CCC(=O)N(C)C 1626a_100102631434_100000210414 [0,2,0,0,0,0|1,0,0]=3 723 B6R0.3 CCC(=O)N(C)C 240690a_100102631434_100000210414 [0,2,0,0,0,0|1,0,0]=3 724 B6R0.3 CCC(=O)N(C)C 527a_100102631434_100000210414 [0,2,0,0,0,0|1,0,0]=3 725 B6R0.3 CCC(=O)[C@@H](C)O 1458a_100000717761_100000210202 [0,2,0,0,0,0|1,0,0]=3 726 B6R0.3 CCC(=O)[C@H](C)O 1458a_217856618621_100000210202 [0,2,0,0,0,0|1,0,0]=3 727 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [0,2,0,0,0,0|1,0,0]=3 728 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [0,2,0,0,0,0|1,0,0]=3 729 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [0,2,0,0,0,0|1,0,0]=3 730 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [0,2,0,0,0,0|1,0,0]=3 731 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [0,2,0,0,0,0|1,0,0]=3 732 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [0,2,0,0,0,0|1,0,0]=3 733 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [0,2,0,0,0,0|1,0,0]=3 734 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [0,2,0,0,0,0|1,0,0]=3 735 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [0,2,0,0,0,0|1,0,0]=3 736 B6R0.3 CN(C)C(=O)CO 240690a_100102631434_100000210174 [0,2,0,0,0,0|1,0,0]=3 737 B6R0.3 CN(C)C(=O)CO 527a_100102631434_100000210174 [0,2,0,0,0,0|1,0,0]=3 738 B6R0.3 CNC(=O)C(=O)C 1458a_100011218921_200000210301 [0,2,0,0,0,0|1,0,0]=3 739 B6R0.3 CNC(=O)C(=O)N 240690a_100102657272_100011215815 [0,2,0,0,0,0|1,0,1]=4 740 B6R0.3 CNC(=O)C(=O)[13CH3] 1458a_100011218921_200025704644 [0,2,0,0,0,0|1,0,0]=3 741 B6R0.3 CNC(=O)C(C)C 11a_106832991635_100000210198 [0,2,0,0,0,0|1,0,0]=3 742 B6R0.3 CNC(=O)C(C)C 1626a_100102657272_100000210198 [0,2,0,0,0,0|1,0,0]=3 743 B6R0.3 CNC(=O)C(C)C 240690a_100102657272_100000210198 [0,2,0,0,0,0|1,0,0]=3 744 B6R0.3 CNC(=O)C(C)C 527a_100102657272_100000210198 [0,2,0,0,0,0|1,0,0]=3 745 B6R0.3 CNC(=O)C(C)F 11a_106832991635_100000062450 [0,2,0,0,0,0|1,0,0]=3 746 B6R0.3 CNC(=O)C(C)F 1626a_100102657272_100000062450 [0,2,0,0,0,0|1,0,0]=3 747 B6R0.3 CNC(=O)C(C)F 240690a_100102657272_100000062450 [0,2,0,0,0,0|1,0,0]=3 748 B6R0.3 CNC(=O)C(C)F 527a_100102657272_100000062450 [0,2,0,0,0,0|1,0,0]=3 749 B6R0.3 CNC(=O)C(F)F 11a_106832991635_100000210393 [0,2,0,0,0,0|1,0,0]=3 750 B6R0.3 CNC(=O)C(F)F 1626a_100102657272_100000210393 [0,2,0,0,0,0|1,0,0]=3 751 B6R0.3 CNC(=O)C(F)F 240690a_100102657272_100000210393 [0,2,0,0,0,0|1,0,0]=3 752 B6R0.3 CNC(=O)C(F)F 527a_100102657272_100000210393 [0,2,0,0,0,0|1,0,0]=3 753 B6R0.3 CNC(=O)C(O)O 240690a_100102657272_100000233687 [0,2,0,0,0,0|1,0,0]=3 754 B6R0.3 CNC(=O)N(C)C 2708a_100102657272_100102631434 [0,2,0,0,0,0|1,0,0]=3 755 B6R0.3 CNC(=O)[C@@H](C)O 240690a_100102657272_100000717761 [0,2,0,0,0,0|1,0,0]=3 756 B6R0.3 CNC(=O)[C@H](C)O 1626a_100102657272_217856618621 [0,2,0,0,0,0|1,0,0]=3 757 B6R0.3 CNC(=O)[C@H](C)O 240690a_100102657272_217856618621 [0,2,0,0,0,0|1,0,0]=3 758 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [0,2,0,0,0,0|1,0,0]=3 759 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [0,2,0,0,0,0|1,0,0]=3 760 B6R0.3 CNC(C)C(=O)N 2230a_106832991635_100000702099 [0,2,0,0,0,0|1,0,1]=4 761 B6R0.3 CNC(C)C(=O)N 34a_100102657272_100000702099 [0,2,0,0,0,0|1,0,1]=4 762 B6R0.3 CNC(C)C(=O)N 7a_106832991635_100000702099 [0,2,0,0,0,0|1,0,1]=4 763 B6R0.3 CNC(F)C(=O)N 2230a_106832991635_100009813875 [0,2,0,0,0,0|2,0,0]=4 764 B6R0.3 CNC(F)C(=O)N 34a_100102657272_100009813875 [0,2,0,0,0,0|2,0,0]=4 765 B6R0.3 CNC(F)C(=O)N 7a_106832991635_100009813875 [0,2,0,0,0,0|2,0,0]=4 766 B6R0.3 CNC(F)C(=O)[O-] 34a_100102657272_100020610796 [0,2,0,0,0,0|2,0,0]=4 767 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [0,2,0,0,0,0|1,0,1]=4 768 B6R0.3 CN[C@H](C)C(=O)N 2230a_100000119354_200000210301 [0,2,0,0,0,0|1,0,1]=4 769 B6R0.3 CN[C@H](C)C(=O)N 34a_100000119354_200000210301 [0,2,0,0,0,0|1,0,1]=4 770 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [0,2,0,0,0,0|0,0,0]=2 771 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [0,2,0,0,0,0|0,0,0]=2 772 B6R0.3 COC(C)C(=O)N 34a_100138415774_100000702099 [0,2,0,0,0,0|0,0,1]=3 773 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [0,2,0,0,0,0|0,0,0]=2 774 B6R0.3 COC(C)C(C)C 7a_100000748068_200000210301 [0,2,0,0,0,0|1,0,1]=4 775 B6R0.3 COC(C)N(C)C 269982a_100102631434_100009879195 [0,2,0,0,0,0|1,0,1]=4 776 B6R0.3 COC(F)C(=O)N 34a_100138415774_100009813875 [0,2,0,0,0,0|1,0,0]=3 777 B6R0.3 COC(F)C(=O)[O-] 34a_100138415774_100020610796 [0,2,0,0,0,0|1,0,0]=3 778 B6R0.3 CO[C@@H](C)C(=O)[O-] 7a_217856618621_200000210301 [0,2,0,0,0,0|0,0,1]=3 779 B6R0.3 CO[C@H](C)C(=O)N 34a_100000731257_200000210301 [0,2,0,0,0,0|0,0,1]=3 780 B6R0.3 CO[C@H](C)C(=O)N 7a_100000731257_200000210301 [0,2,0,0,0,0|0,0,1]=3 781 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [0,2,0,0,0,0|0,1,0]=3 782 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [0,2,0,0,0,0|0,1,0]=3 783 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [0,2,0,0,0,0|0,1,0]=3 784 B6R0.3 CSC(C)C(=O)N 62a_100000702099_200000210301 [0,2,0,0,0,0|0,1,1]=4 785 B6R0.3 CSC(C)C(=O)N 62a_200000210301_100000702099 [0,2,0,0,0,0|0,1,1]=4 786 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [0,2,0,0,0,0|0,1,0]=3 787 B6R0.3 CSC(F)C(=O)N 62a_100009813875_200000210301 [0,2,0,0,0,0|1,1,0]=4 788 B6R0.3 CSC(F)C(=O)N 62a_200000210301_100009813875 [0,2,0,0,0,0|1,1,0]=4 789 B6R0.3 CSC(F)C(=O)[O-] 62a_100020610796_200000210301 [0,2,0,0,0,0|1,1,0]=4 790 B6R0.3 CSC(F)C(=O)[O-] 62a_200000210301_100020610796 [0,2,0,0,0,0|1,1,0]=4 791 B6R0.3 C[C@@H](N[13CH3])C(=O)N 2230a_100000119354_200025704644 [0,2,0,0,0,0|1,0,1]=4 792 B6R0.3 C[C@@H](N[13CH3])C(=O)N 34a_100000119354_200025704644 [0,2,0,0,0,0|1,0,1]=4 793 B6R0.3 C[C@@H](O)C(=O)CF 1458a_100000717761_100015361967 [0,2,0,0,0,0|1,0,0]=3 794 B6R0.3 C[C@@H](O[13CH3])C(=O)N 34a_100000731257_200025704644 [0,2,0,0,0,0|0,0,1]=3 795 B6R0.3 C[C@@H](O[13CH3])C(=O)N 7a_100000731257_200025704644 [0,2,0,0,0,0|0,0,1]=3 796 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [0,2,0,0,0,0|1,0,1]=4 797 B6R0.3 C[C@H](O)C(=O)CF 1458a_217856618621_100015361967 [0,2,0,0,0,0|1,0,0]=3 798 B6R0.3 C[C@H](O[13CH3])C(=O)[O-] 7a_217856618621_200025704644 [0,2,0,0,0,0|0,0,1]=3 799 B6R0.3 O=C(CF)C(O)O 1458a_100000233687_100015361967 [0,2,0,0,0,0|2,0,0]=4 800 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [0,2,0,0,0,0|1,0,0]=3 801 B6R0.3 [13CH3]SC(F)C(=O)N 62a_100009813875_200025704644 [0,2,0,0,0,0|1,1,0]=4 802 B6R0.3 [13CH3]SC(F)C(=O)N 62a_200025704644_100009813875 [0,2,0,0,0,0|1,1,0]=4 803 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_100020610796_200025704644 [0,2,0,0,0,0|1,1,0]=4 804 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_200025704644_100020610796 [0,2,0,0,0,0|1,1,0]=4 805 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [0,2,0,0,0,0|1,0,0]=3 806 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [0,2,0,0,0,0|1,0,0]=3 807 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [0,2,0,0,0,0|1,0,0]=3 808 B6R0.4 C#CCNC(=O)C 11a_100000212058_100015343762 [0,2,0,0,0,0|1,0,0]=3 809 B6R0.4 C#CCNC(=O)C 1626a_100000212058_100015343762 [0,2,0,0,0,0|1,0,0]=3 810 B6R0.4 C#CCNC(=O)C 240690a_100000212058_100015343762 [0,2,0,0,0,0|1,0,0]=3 811 B6R0.4 C#CCNC(=O)C 527a_100000212058_100103153847 [0,2,0,0,0,0|1,0,0]=3 812 B6R0.4 C#CCOC(C)C 34a_100000210247_100000210206 [0,2,0,0,0,0|1,0,1]=4 813 B6R0.4 C#CCOC(C)C 34a_100000212225_100000184674 [0,2,0,0,0,0|1,0,1]=4 814 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [0,2,0,0,0,0|1,0,0]=3 815 B6R0.4 C=C(Br)CCOC 34a_100009813270_200000210301 [0,2,0,0,0,0|1,0,1]=4 816 B6R0.4 C=C(Br)CCO[13CH3] 34a_100009813270_200025704644 [0,2,0,0,0,0|1,0,1]=4 817 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [0,2,0,0,0,0|2,0,0]=4 818 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [0,2,0,0,0,0|2,0,0]=4 819 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [0,2,0,0,0,0|2,0,0]=4 820 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [0,2,0,0,0,0|1,0,0]=3 821 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [0,2,0,0,0,0|1,0,0]=3 822 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [0,2,0,0,0,0|1,0,0]=3 823 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [0,2,0,0,0,0|1,1,0]=4 824 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [0,2,0,0,0,0|1,1,0]=4 825 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [0,2,0,0,0,0|1,1,0]=4 826 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [0,2,0,0,0,0|1,1,0]=4 827 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [0,2,0,0,0,0|2,0,0]=4 828 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [0,2,0,0,0,0|1,0,0]=3 829 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [0,2,0,0,0,0|1,0,0]=3 830 B6R0.4 C=C(C)COCF 34a_100000210245_100015361967 [0,2,0,0,0,0|1,0,0]=3 831 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [0,2,0,0,0,0|1,1,0]=4 832 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [0,2,0,0,0,0|1,1,0]=4 833 B6R0.4 C=C(C)CSCF 62a_100000748629_100015361967 [0,2,0,0,0,0|1,1,0]=4 834 B6R0.4 C=C(C)CSCF 62a_100015361967_100000211660 [0,2,0,0,0,0|1,1,0]=4 835 B6R0.4 C=C(F)COCC 34a_100121572206_100009893438 [0,2,0,0,0,0|1,0,1]=4 836 B6R0.4 C=C(F)COCC 34a_200010262243_100000210202 [0,2,0,0,0,0|1,0,1]=4 837 B6R0.4 C=C(F)COCF 34a_200010262243_100015361967 [0,2,0,0,0,0|1,0,1]=4 838 B6R0.4 C=CC=CC(=O)C 1458a_100016291481_200000210301 [0,2,0,0,0,0|1,0,1]=4 839 B6R0.4 C=CC=CC(=O)[13CH3] 1458a_100016291481_200025704644 [0,2,0,0,0,0|1,0,1]=4 840 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [0,2,0,0,0,0|1,0,0]=3 841 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [0,2,0,0,0,0|1,0,0]=3 842 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [0,2,0,0,0,0|1,0,0]=3 843 B6R0.4 C=CCNC(=O)C 1626a_100020586998_100015343762 [0,2,0,0,0,0|1,0,0]=3 844 B6R0.4 C=CCNC(=O)C 240690a_100020586998_100015343762 [0,2,0,0,0,0|1,0,0]=3 845 B6R0.4 C=CCNC(=O)C 527a_100020586998_100103153847 [0,2,0,0,0,0|1,0,0]=3 846 B6R0.4 C=CCOC(C)C 34a_100000212225_100015514636 [0,2,0,0,0,0|1,0,1]=4 847 B6R0.4 C=CCOC(C)C 34a_200000210373_100000210206 [0,2,0,0,0,0|1,0,1]=4 848 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [0,2,0,0,0,0|1,0,0]=3 849 B6R0.4 CC(=CCN[13CH3])C 34a_100000718196_200025704644 [0,2,0,0,0,0|2,0,0]=4 850 B6R0.4 CC(=CCO[13CH3])C 34a_100000753907_200025704644 [0,2,0,0,0,0|1,0,0]=3 851 B6R0.4 CC(=CCS[13CH3])C 62a_100000761012_200025704644 [0,2,0,0,0,0|1,1,0]=4 852 B6R0.4 CC(=CCS[13CH3])C 62a_200025704644_100000761012 [0,2,0,0,0,0|1,1,0]=4 853 B6R0.4 CC(=O)C#CCO 1458a_100000049017_200000210301 [0,2,0,0,0,0|1,0,0]=3 854 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [0,2,0,0,0,0|1,0,0]=3 855 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [0,2,0,0,0,0|1,0,0]=3 856 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [0,2,0,0,0,0|1,0,0]=3 857 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [0,2,0,0,0,0|1,0,0]=3 858 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [0,2,0,0,0,0|0,0,0]=2 859 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [0,2,0,0,0,0|0,0,0]=2 860 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [0,2,0,0,0,0|0,1,0]=3 861 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [0,2,0,0,0,0|0,1,0]=3 862 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [0,2,0,0,0,0|0,0,0]=2 863 B6R0.4 CC(=O)NCC#N 1626a_100000734998_100015343762 [0,2,0,0,0,0|1,0,0]=3 864 B6R0.4 CC(=O)NCC#N 527a_100000734998_100103153847 [0,2,0,0,0,0|1,0,0]=3 865 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [0,2,0,0,0,0|1,0,0]=3 866 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [0,2,0,0,0,0|1,0,0]=3 867 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [0,2,0,0,0,0|1,0,0]=3 868 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [0,2,0,0,0,0|1,0,0]=3 869 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [0,2,0,0,0,0|1,0,0]=3 870 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [0,2,0,0,0,0|1,0,0]=3 871 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [0,2,0,0,0,0|0,0,0]=2 872 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [0,2,0,0,0,0|0,0,0]=2 873 B6R0.4 CC(Br)CCO[13CH3] 34a_100009893172_200025704644 [0,2,0,0,0,0|1,0,1]=4 874 B6R0.4 CC(Br)COCF 34a_100012180447_100015361967 [0,2,0,0,0,0|1,0,1]=4 875 B6R0.4 CC(C)CCO[13CH3] 34a_100000210254_200025704644 [0,2,0,0,0,0|1,0,1]=4 876 B6R0.4 CC(C)CCO[13CH3] 7a_100000210254_200025704644 [0,2,0,0,0,0|1,0,1]=4 877 B6R0.4 CC(C)COCF 34a_100000210257_100015361967 [0,2,0,0,0,0|1,0,1]=4 878 B6R0.4 CC(C)OCC=O 34a_100000212225_200009817547 [0,2,0,0,0,0|1,0,1]=4 879 B6R0.4 CC(C)OCCBr 34a_100000211926_100000210206 [0,2,0,0,0,0|1,0,1]=4 880 B6R0.4 CC(C)OCCF 34a_100000212225_100011217306 [0,2,0,0,0,0|1,0,1]=4 881 B6R0.4 CC(C)OCCN 34a_100000210304_100000210206 [0,2,0,0,0,0|1,0,1]=4 882 B6R0.4 CC(C)OCCO 34a_100000212225_100000211926 [0,2,0,0,0,0|1,0,1]=4 883 B6R0.4 CC(C)OCS[13CH3] 62a_100000709892_200025704644 [0,2,0,0,0,0|1,0,1]=4 884 B6R0.4 CC(C)OCS[13CH3] 62a_200025704644_100000709892 [0,2,0,0,0,0|1,0,1]=4 885 B6R0.4 CC(F)COCF 34a_100015925927_100015361967 [0,2,0,0,0,0|1,0,1]=4 886 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [0,2,0,0,0,0|1,0,0]=3 887 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [0,2,0,0,0,0|1,0,0]=3 888 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [0,2,0,0,0,0|1,0,0]=3 889 B6R0.4 CC=NNC(=O)C 4a_100000189765_200000210099 [0,2,0,0,0,0|1,0,0]=3 890 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [0,2,0,0,0,0|1,0,0]=3 891 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [0,2,0,0,0,0|1,0,0]=3 892 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [0,2,0,0,0,0|1,0,0]=3 893 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [0,2,0,0,0,0|1,0,0]=3 894 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [0,2,0,0,0,0|1,0,0]=3 895 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [0,2,0,0,0,0|1,0,0]=3 896 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [0,2,0,0,0,0|1,0,0]=3 897 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [0,2,0,0,0,0|1,0,0]=3 898 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [0,2,0,0,0,0|1,0,0]=3 899 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [0,2,0,0,0,0|1,0,0]=3 900 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [0,2,0,0,0,0|1,0,0]=3 901 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [0,2,0,0,0,0|1,0,1]=4 902 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [0,2,0,0,0,0|1,0,1]=4 903 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [0,2,0,0,0,0|2,0,0]=4 904 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [0,2,0,0,0,0|2,0,0]=4 905 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [0,2,0,0,0,0|2,0,0]=4 906 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [0,2,0,0,0,0|1,0,0]=3 907 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [0,2,0,0,0,0|0,0,0]=2 908 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [0,2,0,0,0,0|0,0,0]=2 909 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [0,2,0,0,0,0|1,0,0]=3 910 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [0,2,0,0,0,0|0,0,0]=2 911 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [0,2,0,0,0,0|1,0,0]=3 912 B6R0.4 CCOCC(C)Br 34a_100012180447_100000210202 [0,2,0,0,0,0|1,0,1]=4 913 B6R0.4 CCOCC(C)C 34a_100000210257_100000210202 [0,2,0,0,0,0|1,0,1]=4 914 B6R0.4 CCOCC(C)C 34a_100121572206_100000210624 [0,2,0,0,0,0|1,0,1]=4 915 B6R0.4 CCOCC(C)F 34a_100015925927_100000210202 [0,2,0,0,0,0|1,0,1]=4 916 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [0,2,0,0,0,0|0,0,2]=4 917 B6R0.4 CCOCN(C)C 269982a_100102631434_100000739092 [0,2,0,0,0,0|2,0,0]=4 918 B6R0.4 CCOC[C@@H](C)Cl 34a_100016084084_100000210202 [0,2,0,0,0,0|1,0,1]=4 919 B6R0.4 CCOC[C@@H](C)N 34a_100000737577_100000210202 [0,2,0,0,0,0|1,0,1]=4 920 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [0,2,0,0,0,0|0,0,2]=4 921 B6R0.4 CCOC[N+](=O)[O-] 34a_100121572206_100000761209 [0,2,0,0,0,0|2,0,0]=4 922 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [0,2,0,0,0,0|0,1,0]=3 923 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [0,2,0,0,0,0|1,1,0]=4 924 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [0,2,0,0,0,0|1,1,0]=4 925 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [0,2,0,0,0,0|0,1,0]=3 926 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [0,2,0,0,0,0|1,1,0]=4 927 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [0,2,0,0,0,0|1,1,0]=4 928 B6R0.4 CNCC=C(C)C 2230a_106832991635_100000761012 [0,2,0,0,0,0|2,0,0]=4 929 B6R0.4 CNCC=C(C)C 34a_100000718196_200000210301 [0,2,0,0,0,0|2,0,0]=4 930 B6R0.4 CNCC=C(C)C 34a_100102657272_100000761012 [0,2,0,0,0,0|2,0,0]=4 931 B6R0.4 CNCC=C(C)C 7a_106832991635_100000761012 [0,2,0,0,0,0|2,0,0]=4 932 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [0,2,0,0,0,0|1,0,0]=3 933 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [0,2,0,0,0,0|2,0,0]=4 934 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [0,2,0,0,0,0|2,0,0]=4 935 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [0,2,0,0,0,0|2,0,0]=4 936 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [0,2,0,0,0,0|0,0,0]=2 937 B6R0.4 CNCOC(C)C 2230a_106832991635_100000709892 [0,2,0,0,0,0|1,0,1]=4 938 B6R0.4 CNCOC(C)C 34a_100102657272_100000709892 [0,2,0,0,0,0|1,0,1]=4 939 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [0,2,0,0,0,0|1,0,0]=3 940 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [0,2,0,0,0,0|0,0,0]=2 941 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [0,2,0,0,0,0|0,0,0]=2 942 B6R0.4 COCC=C(C)C 34a_100000753907_200000210301 [0,2,0,0,0,0|1,0,0]=3 943 B6R0.4 COCC=C(C)C 34a_100138415774_100000761012 [0,2,0,0,0,0|1,0,0]=3 944 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [0,2,0,0,0,0|0,0,0]=2 945 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [0,2,0,0,0,0|0,0,0]=2 946 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [0,2,0,0,0,0|0,0,0]=2 947 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [0,2,0,0,0,0|0,0,0]=2 948 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [0,2,0,0,0,0|1,0,0]=3 949 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [0,2,0,0,0,0|1,0,0]=3 950 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [0,2,0,0,0,0|1,0,0]=3 951 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [0,2,0,0,0,0|0,0,0]=2 952 B6R0.4 COCCC(C)Br 34a_100009893172_200000210301 [0,2,0,0,0,0|1,0,1]=4 953 B6R0.4 COCCC(C)C 34a_100000210254_200000210301 [0,2,0,0,0,0|1,0,1]=4 954 B6R0.4 COCCC(C)C 34a_100138415774_100000210312 [0,2,0,0,0,0|1,0,1]=4 955 B6R0.4 COCCC(C)C 7a_100000210254_200000210301 [0,2,0,0,0,0|1,0,1]=4 956 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [0,2,0,0,0,0|0,0,2]=4 957 B6R0.4 COCCN(C)C 2230a_100000743101_200000210301 [0,2,0,0,0,0|2,0,0]=4 958 B6R0.4 COCCN(C)C 2230a_100102631434_100011201679 [0,2,0,0,0,0|2,0,0]=4 959 B6R0.4 COCCN(C)C 269982a_100000743101_200000210301 [0,2,0,0,0,0|2,0,0]=4 960 B6R0.4 COCCN(C)C 269982a_100102631434_100000233755 [0,2,0,0,0,0|2,0,0]=4 961 B6R0.4 COCCN(C)[13CH3] 2230a_100000743101_200025704644 [0,2,0,0,0,0|2,0,0]=4 962 B6R0.4 COCCN(C)[13CH3] 269982a_100000743101_200025704644 [0,2,0,0,0,0|2,0,0]=4 963 B6R0.4 COCC[C@@H](C)N 34a_100000706166_200000210301 [0,2,0,0,0,0|1,0,1]=4 964 B6R0.4 COCNC(C)C 2230a_100138425928_100000766300 [0,2,0,0,0,0|1,0,1]=4 965 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [0,2,0,0,0,0|0,0,0]=2 966 B6R0.4 COCOC(C)C 34a_100138415774_100000709892 [0,2,0,0,0,0|1,0,1]=4 967 B6R0.4 COCSC(C)C 62a_100000210206_100000766300 [0,2,0,0,0,0|1,0,1]=4 968 B6R0.4 COCSC(C)C 62a_100000766300_100000210206 [0,2,0,0,0,0|1,0,1]=4 969 B6R0.4 CSCC=C(C)C 62a_100000761012_200000210301 [0,2,0,0,0,0|1,1,0]=4 970 B6R0.4 CSCC=C(C)C 62a_200000210301_100000761012 [0,2,0,0,0,0|1,1,0]=4 971 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [0,2,0,0,0,0|0,1,0]=3 972 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [0,2,0,0,0,0|0,1,0]=3 973 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [0,2,0,0,0,0|0,1,0]=3 974 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [0,2,0,0,0,0|0,1,0]=3 975 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [0,2,0,0,0,0|1,1,0]=4 976 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [0,2,0,0,0,0|1,1,0]=4 977 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [0,2,0,0,0,0|0,1,0]=3 978 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [0,2,0,0,0,0|0,0,0]=2 979 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [0,2,0,0,0,0|0,0,0]=2 980 B6R0.4 CSCOC(C)C 34a_100000212225_100011218213 [0,2,0,0,0,0|1,0,1]=4 981 B6R0.4 CSCOC(C)C 62a_100000709892_200000210301 [0,2,0,0,0,0|1,0,1]=4 982 B6R0.4 CSCOC(C)C 62a_200000210301_100000709892 [0,2,0,0,0,0|1,0,1]=4 983 B6R0.4 C[C@@H](Cl)COCF 34a_100016084084_100015361967 [0,2,0,0,0,0|1,0,1]=4 984 B6R0.4 C[C@@H](N)CCO[13CH3] 34a_100000706166_200025704644 [0,2,0,0,0,0|1,0,1]=4 985 B6R0.4 C[C@@H](N)COCF 34a_100000737577_100015361967 [0,2,0,0,0,0|1,0,1]=4 986 B6R0.4 NC(=O)CSCF 62a_100000747473_100015361967 [0,2,0,0,0,0|1,1,0]=4 987 B6R0.4 NC(=O)CSCF 62a_100015361967_100000747473 [0,2,0,0,0,0|1,1,0]=4 988 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [0,2,0,0,0,0|2,0,0]=4 989 B6R0.4 O=C([O-])CSCF 62a_100015361967_100020667443 [0,2,0,0,0,0|1,1,0]=4 990 B6R0.4 O=C([O-])CSCF 62a_100020667443_100015361967 [0,2,0,0,0,0|1,1,0]=4 991 B6R0.4 [13CH3]C(=O)C#CCO 1458a_100000049017_200025704644 [0,2,0,0,0,0|1,0,0]=3 992 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [0,2,0,0,0,0|1,0,0]=3 993 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [0,2,0,0,0,0|1,0,0]=3 994 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [0,2,0,0,0,0|1,0,0]=3 995 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [0,2,0,0,0,0|1,0,0]=3 996 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [0,2,0,0,0,0|1,1,0]=4 997 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [0,2,0,0,0,0|1,1,0]=4 998 B6R0.5 CC(C)(C)OCF 34a_100015890283_100015361967 [0,2,0,0,0,0|1,0,1]=4 999 B6R0.5 CC(C)(C)OCF 7a_100015890283_100015361967 [0,2,0,0,0,0|1,0,1]=4 1000 B6R0.5 CC(C)(F)CO[13CH3] 34a_100000716592_200025704644 [0,2,0,0,0,0|1,0,1]=4 1001 B6R0.5 CC(F)(F)CO[13CH3] 34a_100000068830_200025704644 [0,2,0,0,0,0|1,0,1]=4 1002 B6R0.5 CCNS(=O)(=O)C 40a_100015525214_100000738038 [0,2,0,0,0,0|2,0,0]=4 1003 B6R0.5 CCOC(C)(C)C 34a_100015890283_100000210202 [0,2,0,0,0,0|1,0,1]=4 1004 B6R0.5 CCOC(C)(C)C 34a_100121572206_100000210625 [0,2,0,0,0,0|1,0,1]=4 1005 B6R0.5 CCOC(C)(C)C 7a_100015890283_100000210202 [0,2,0,0,0,0|1,0,1]=4 1006 B6R0.5 CNNS(=O)(=O)C 40a_100016993582_100000738038 [0,2,0,0,0,0|2,0,0]=4 1007 B6R0.5 COCC(C)(C)C 34a_100138415774_100011219605 [0,2,0,0,0,0|1,0,1]=4 1008 B6R0.5 COCC(C)(C)F 34a_100000716592_200000210301 [0,2,0,0,0,0|1,0,1]=4 1009 B6R0.5 COCC(C)(C)F 34a_100138415774_100011997219 [0,2,0,0,0,0|1,0,1]=4 1010 B6R0.5 COCC(C)(C)O 34a_100138415774_100000764493 [0,2,0,0,0,0|0,0,2]=4 1011 B6R0.5 COCC(C)(F)F 34a_100000068830_200000210301 [0,2,0,0,0,0|1,0,1]=4 1012 B6R0.5 COCS(=O)(=O)[O-] 34a_100138415774_100009817235 [0,2,0,0,0,0|2,0,0]=4 1013 B6R0.8 C#CC(C)(C)OC 34a_100000189450_200000210301 [0,2,0,0,0,0|1,0,1]=4 1014 B6R0.8 C#CC(C)(C)OC 34a_100138415774_100000038118 [0,2,0,0,0,0|1,0,1]=4 1015 B6R0.8 C#CC(C)(C)OC 7a_100000189450_200000210301 [0,2,0,0,0,0|1,0,1]=4 1016 B6R0.8 C#CC(C)(C)O[13CH3] 34a_100000189450_200025704644 [0,2,0,0,0,0|1,0,1]=4 1017 B6R0.8 C#CC(C)(C)O[13CH3] 7a_100000189450_200025704644 [0,2,0,0,0,0|1,0,1]=4 1018 B6R0.8 C=CC(C)(C)OC 34a_100011215311_200000210301 [0,2,0,0,0,0|1,0,1]=4 1019 B6R0.8 C=CC(C)(C)OC 7a_100011215311_200000210301 [0,2,0,0,0,0|1,0,1]=4 1020 B6R0.8 C=CC(C)(C)O[13CH3] 34a_100011215311_200025704644 [0,2,0,0,0,0|1,0,1]=4 1021 B6R0.8 C=CC(C)(C)O[13CH3] 7a_100011215311_200025704644 [0,2,0,0,0,0|1,0,1]=4 1022 B6R0.8 CC(C)(C#N)O[13CH3] 34a_200015195151_200025704644 [0,2,0,0,0,0|1,0,1]=4 1023 B6R0.8 CC(C)(CCl)O[13CH3] 7a_100000764493_200025704644 [0,2,0,0,0,0|1,0,1]=4 1024 B6R0.8 CCC(C)(C)OC 7a_100000210230_200000210301 [0,2,0,0,0,0|1,0,1]=4 1025 B6R0.8 CCC(C)(C)O[13CH3] 7a_100000210230_200025704644 [0,2,0,0,0,0|1,0,1]=4 1026 B6R0.8 CCS(=O)(=O)NC 270084a_100102657272_100000211323 [0,2,0,0,0,0|2,0,0]=4 1027 B6R0.8 CCS(=O)(=O)NC 274078a_100102657272_100000211323 [0,2,0,0,0,0|2,0,0]=4 1028 B6R0.8 CCS(=O)(=O)NC 40a_100102657272_100000053943 [0,2,0,0,0,0|2,0,0]=4 1029 B6R0.8 CNS(=O)(=O)CCl 270084a_100102657272_100000031410 [0,2,0,0,0,0|2,0,0]=4 1030 B6R0.8 CNS(=O)(=O)CCl 274078a_100102657272_100000031410 [0,2,0,0,0,0|2,0,0]=4 1031 B6R0.8 COC(C)(C)C#N 34a_100138415774_100011162410 [0,2,0,0,0,0|1,0,1]=4 1032 B6R0.8 COC(C)(C)C#N 34a_200015195151_200000210301 [0,2,0,0,0,0|1,0,1]=4 1033 B6R0.8 COC(C)(C)CCl 7a_100000764493_200000210301 [0,2,0,0,0,0|1,0,1]=4 1034 B6R0.9 C#CC(CC)OC 34a_100000758843_200000210301 [0,2,0,0,0,0|1,0,1]=4 1035 B6R0.9 C#CC(CC)OC 7a_100000758843_200000210301 [0,2,0,0,0,0|1,0,1]=4 1036 B6R0.9 C#CC(CC)O[13CH3] 34a_100000758843_200025704644 [0,2,0,0,0,0|1,0,1]=4 1037 B6R0.9 C#CC(CC)O[13CH3] 7a_100000758843_200025704644 [0,2,0,0,0,0|1,0,1]=4 1038 B6R0.9 C=CC(CC)OC 34a_100000766422_200000210301 [0,2,0,0,0,0|1,0,1]=4 1039 B6R0.9 C=CC(CC)OC 7a_100000766422_200000210301 [0,2,0,0,0,0|1,0,1]=4 1040 B6R0.9 C=CC(CC)O[13CH3] 34a_100000766422_200025704644 [0,2,0,0,0,0|1,0,1]=4 1041 B6R0.9 C=CC(CC)O[13CH3] 7a_100000766422_200025704644 [0,2,0,0,0,0|1,0,1]=4 1042 B6R0.9 CCC(CC)OC 7a_100000688536_200000210301 [0,2,0,0,0,0|1,0,1]=4 1043 B6R0.9 CCC(CC)O[13CH3] 7a_100000688536_200025704644 [0,2,0,0,0,0|1,0,1]=4 1044 B6R0.9 COC(C=O)C=O 34a_100138415774_100000736813 [0,2,0,0,0,0|0,0,2]=4 1045 B6R0.9 COC(CCl)CCl 7a_100000737055_200000210301 [0,2,0,0,0,0|1,0,1]=4 1046 B6R0.9 COC(CF)CF 34a_100000032261_200000210301 [0,2,0,0,0,0|1,0,1]=4 1047 B6R0.9 COC(CF)CF 7a_100000032261_200000210301 [0,2,0,0,0,0|1,0,1]=4 1048 B6R0.9 COC(CN)CN 34a_100000031598_200000210301 [0,2,0,0,0,0|1,0,1]=4 1049 B6R0.9 CO[C@@H](CF)CCl 34a_100015614560_200000210301 [0,2,0,0,0,0|1,0,1]=4 1050 B6R0.9 CO[C@@H](CF)CCl 7a_100015614560_200000210301 [0,2,0,0,0,0|1,0,1]=4 1051 B6R0.9 [13CH3]OC(CCl)CCl 7a_100000737055_200025704644 [0,2,0,0,0,0|1,0,1]=4 1052 B6R0.9 [13CH3]OC(CF)CF 34a_100000032261_200025704644 [0,2,0,0,0,0|1,0,1]=4 1053 B6R0.9 [13CH3]OC(CF)CF 7a_100000032261_200025704644 [0,2,0,0,0,0|1,0,1]=4 1054 B6R0.9 [13CH3]OC(CN)CN 34a_100000031598_200025704644 [0,2,0,0,0,0|1,0,1]=4 1055 B6R0.9 [13CH3]O[C@@H](CF)CCl 34a_100015614560_200025704644 [0,2,0,0,0,0|1,0,1]=4 1056 B6R0.9 [13CH3]O[C@@H](CF)CCl 7a_100015614560_200025704644 [0,2,0,0,0,0|1,0,1]=4 1057 B6R0.7 CC(=O)C(C)(C)C 1458a_106744555173_200000210301 [0,2,0,0,0,0|1,0,0]=3 1058 B6R0.7 CC(=O)C(C)(C)F 1458a_100000765255_200000210301 [0,2,0,0,0,0|1,0,0]=3 1059 B6R0.7 CC(=O)C(C)(C)O 1458a_100000242741_200000210301 [0,2,0,0,0,0|1,0,0]=3 1060 B6R0.7 CC(=O)C(F)(F)F 1458a_100000070787_200000243211 [0,2,0,0,0,0|2,0,0]=4 1061 B6R0.7 CC(=O)C(F)(F)F 1458a_100015355933_200000210301 [0,2,0,0,0,0|2,0,0]=4 1062 B6R0.7 CC(C)(C)C(=O)[13CH3] 1458a_106744555173_200025704644 [0,2,0,0,0,0|1,0,0]=3 1063 B6R0.7 CC(C)(F)C(=O)[13CH3] 1458a_100000765255_200025704644 [0,2,0,0,0,0|1,0,0]=3 1064 B6R0.7 CC(C)(O)C(=O)[13CH3] 1458a_100000242741_200025704644 [0,2,0,0,0,0|1,0,0]=3 1065 B6R0.7 CN(C)S(=O)(=O)C 40a_100102631434_100000738038 [0,2,0,0,0,0|2,0,0]=4 1066 B6R0.7 [13CH3]C(=O)C(F)(F)F 1458a_100015355933_200025704644 [0,2,0,0,0,0|2,0,0]=4 1067 B6R1.3 CCOC1CC1 34a_100121572206_100000211595 [0,1,0,1,0,0|1,0,1]=4 1068 B6R1.3 COCC1CC1 34a_100000211283_200000210301 [0,1,0,1,0,0|1,0,1]=4 1069 B6R1.3 COCC1CC1 34a_100138415774_100000742324 [0,1,0,1,0,0|1,0,1]=4 1070 B6R1.3 COCC1CO1 34a_100138415774_102125554688 [0,1,0,1,0,0|0,0,2]=4 1071 B6R1.3 COC[C@@H]1CO1 34a_100000757423_200000210301 [0,1,0,1,0,0|0,0,2]=4 1072 B6R1.3 [13CH3]OCC1CC1 34a_100000211283_200025704644 [0,1,0,1,0,0|1,0,1]=4 1073 B6R1.3 [13CH3]OC[C@@H]1CO1 34a_100000757423_200025704644 [0,1,0,1,0,0|0,0,2]=4 1074 B6R1.11 CC(=O)C1CC1 1458a_100000210395_200000210301 [0,1,0,1,0,0|1,0,0]=3 1075 B6R1.11 CC(=O)C1CO1 1458a_100000701028_200000210301 [0,1,0,1,0,0|0,0,0]=2 1076 B6R1.11 [13CH3]C(=O)C1CC1 1458a_100000210395_200025704644 [0,1,0,1,0,0|1,0,0]=3 1077 B6R1.11 [13CH3]C(=O)C1CO1 1458a_100000701028_200025704644 [0,1,0,1,0,0|0,0,0]=2 1078 B6R1.6 COC1CCC1 34a_100000748187_200000210301 [0,1,0,1,0,0|1,0,1]=4 1079 B6R1.6 COC1CCC1 34a_100138415774_100000749161 [0,1,0,1,0,0|1,0,1]=4 1080 B6R1.6 COC1COC1 34a_100138415774_100009818527 [0,1,0,1,0,0|0,0,2]=4 1081 B6R1.6 COC1CSC1 7a_100000072292_200000210301 [0,1,0,1,0,0|0,1,1]=4 1082 B6R1.6 [13CH3]OC1CCC1 34a_100000748187_200025704644 [0,1,0,1,0,0|1,0,1]=4 1083 B6R1.6 [13CH3]OC1CSC1 7a_100000072292_200025704644 [0,1,0,1,0,0|0,1,1]=4 1084 B6R1.7 CC1(CC1)O[13CH3] 7a_100011725673_200025704644 [0,1,0,1,0,0|1,0,1]=4 1085 B6R1.7 COC1(CC1)C 7a_100011725673_200000210301 [0,1,0,1,0,0|1,0,1]=4