0 B5R0.1 C#CCC(=O)C 1458a_100000070787_100000184674 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.1 C#CCC(=O)C 1458a_100011220946_200000210301 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.1 C#CCC(=O)[13CH3] 1458a_100011220946_200025704644 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.1 C#CCN(C)C 2230a_100000225692_200000210301 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.1 C#CCN(C)C 2230a_100102631434_100000038162 [0,0,0,0,0,0|2,0,2]=4 5 B5R0.1 C#CCN(C)C 34a_100000225692_200000210301 [0,0,0,0,0,0|2,0,2]=4 6 B5R0.1 C#CCN(C)[13CH3] 2230a_100000225692_200025704644 [0,0,0,0,0,0|2,0,2]=4 7 B5R0.1 C#CCN(C)[13CH3] 34a_100000225692_200025704644 [0,0,0,0,0,0|2,0,2]=4 8 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [0,0,0,0,0,0|2,0,2]=4 9 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [0,0,0,0,0,0|2,0,2]=4 10 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [0,0,0,0,0,0|2,0,2]=4 11 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [0,0,0,0,0,0|2,0,2]=4 12 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [0,0,0,0,0,0|2,0,2]=4 13 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [0,0,0,0,0,0|2,0,2]=4 14 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [0,0,0,0,0,0|2,0,2]=4 15 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [0,0,0,0,0,0|2,0,2]=4 16 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [0,0,0,0,0,0|2,0,2]=4 17 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [0,0,0,0,0,0|2,0,2]=4 18 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [0,0,0,0,0,0|2,0,2]=4 19 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [0,0,0,0,0,0|2,0,2]=4 20 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [0,0,0,0,0,0|2,0,2]=4 21 B5R0.1 C=CCN(C)C 2230a_100000225617_200000210301 [0,0,0,0,0,0|2,0,2]=4 22 B5R0.1 C=CCN(C)C 2230a_100102631434_100000210623 [0,0,0,0,0,0|2,0,2]=4 23 B5R0.1 C=CCN(C)C 269982a_100000225617_200000210301 [0,0,0,0,0,0|2,0,2]=4 24 B5R0.1 C=CCN(C)C 269982a_100102631434_100000210623 [0,0,0,0,0,0|2,0,2]=4 25 B5R0.1 C=CCN(C)[13CH3] 2230a_100000225617_200025704644 [0,0,0,0,0,0|2,0,2]=4 26 B5R0.1 C=CCN(C)[13CH3] 269982a_100000225617_200025704644 [0,0,0,0,0,0|2,0,2]=4 27 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [0,0,0,0,0,0|2,0,2]=4 28 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [0,0,0,0,0,0|2,0,2]=4 29 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [0,0,0,0,0,0|2,0,1]=3 30 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [0,0,0,0,0,0|2,0,1]=3 31 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [0,0,0,0,0,0|2,0,1]=3 32 B5R0.1 CC(=O)CC#N 1458a_100000070787_100011214920 [0,0,0,0,0,0|2,0,2]=4 33 B5R0.1 CC(=O)CC#N 1458a_100051588842_200000210301 [0,0,0,0,0,0|2,0,2]=4 34 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [0,0,0,0,0,0|2,0,1]=3 35 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [0,0,0,0,0,0|1,1,1]=3 36 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [0,0,0,0,0,0|1,1,1]=3 37 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [0,0,0,0,0,0|3,0,1]=4 38 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [0,0,0,0,0,0|2,0,2]=4 39 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [0,0,0,0,0,0|2,0,2]=4 40 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [0,0,0,0,0,0|2,0,2]=4 41 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [0,0,0,0,0,0|2,0,2]=4 42 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [0,0,0,0,0,0|2,0,2]=4 43 B5R0.1 CC(C)NCF 34a_100138425928_100015361967 [0,0,0,0,0,0|2,0,1]=3 44 B5R0.1 CC(C)OCF 34a_100000212225_100015361967 [0,0,0,0,0,0|2,0,1]=3 45 B5R0.1 CC(C)SCF 62a_100000210206_100015361967 [0,0,0,0,0,0|2,0,1]=3 46 B5R0.1 CC(C)SCF 62a_100015361967_100000210206 [0,0,0,0,0,0|2,0,1]=3 47 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [0,0,0,0,0,0|2,0,1]=3 48 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [0,0,0,0,0,0|2,0,1]=3 49 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [0,0,0,0,0,0|2,0,1]=3 50 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [0,0,0,0,0,0|2,0,1]=3 51 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [0,0,0,0,0,0|2,0,1]=3 52 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [0,0,0,0,0,0|2,0,1]=3 53 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [0,0,0,0,0,0|2,0,1]=3 54 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [0,0,0,0,0,0|2,0,1]=3 55 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [0,0,0,0,0,0|2,0,1]=3 56 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [0,0,0,0,0,0|2,0,1]=3 57 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [0,0,0,0,0,0|2,0,1]=3 58 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [0,0,0,0,0,0|3,0,0]=3 59 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [0,0,0,0,0,0|3,0,0]=3 60 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [0,0,0,0,0,0|3,0,0]=3 61 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [0,0,0,0,0,0|2,0,1]=3 62 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [0,0,0,0,0,0|2,0,1]=3 63 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [0,0,0,0,0,0|2,0,1]=3 64 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [0,0,0,0,0,0|2,0,1]=3 65 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [0,0,0,0,0,0|2,0,1]=3 66 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [0,0,0,0,0,0|2,0,1]=3 67 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [0,0,0,0,0,0|2,0,1]=3 68 B5R0.1 CN(C)CC#N 2230a_100000748184_200000210301 [0,0,0,0,0,0|2,0,2]=4 69 B5R0.1 CN(C)CC#N 2230a_100102631434_100011215382 [0,0,0,0,0,0|2,0,2]=4 70 B5R0.1 CN(C)CC#N 269982a_100102631434_100011214920 [0,0,0,0,0,0|2,0,2]=4 71 B5R0.1 CN(C)CC=O 2230a_100102631434_200015260668 [0,0,0,0,0,0|1,1,2]=4 72 B5R0.1 CN(C)CC=O 269982a_100102631434_200015260668 [0,0,0,0,0,0|1,1,2]=4 73 B5R0.1 CN(C)CCF 2230a_100102631434_100011217306 [0,0,0,0,0,0|2,0,1]=3 74 B5R0.1 CN(C)CCF 269982a_100102631434_100011217306 [0,0,0,0,0,0|2,0,1]=3 75 B5R0.1 CN(C)CCO 2230a_100000210263_200000210301 [0,0,0,0,0,0|1,1,1]=3 76 B5R0.1 CN(C)CCO 2230a_100102631434_100000211926 [0,0,0,0,0,0|1,1,1]=3 77 B5R0.1 CN(C)CCO 269982a_100000210263_200000210301 [0,0,0,0,0,0|1,1,1]=3 78 B5R0.1 CN(C)CCO 269982a_100102631434_100000211926 [0,0,0,0,0,0|1,1,1]=3 79 B5R0.1 CN([13CH3])CC#N 2230a_100000748184_200025704644 [0,0,0,0,0,0|2,0,2]=4 80 B5R0.1 CN([13CH3])CCO 2230a_100000210263_200025704644 [0,0,0,0,0,0|1,1,1]=3 81 B5R0.1 CN([13CH3])CCO 269982a_100000210263_200025704644 [0,0,0,0,0,0|1,1,1]=3 82 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [0,0,0,0,0,0|2,0,2]=4 83 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [0,0,0,0,0,0|2,0,2]=4 84 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [0,0,0,0,0,0|2,0,2]=4 85 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [0,0,0,0,0,0|2,0,2]=4 86 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [0,0,0,0,0,0|2,0,2]=4 87 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [0,0,0,0,0,0|2,0,2]=4 88 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [0,0,0,0,0,0|4,0,0]=4 89 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [0,0,0,0,0,0|3,0,1]=4 90 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [0,0,0,0,0,0|3,0,1]=4 91 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [0,0,0,0,0,0|3,0,1]=4 92 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [0,0,0,0,0,0|2,0,2]=4 93 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [0,0,0,0,0,0|2,0,2]=4 94 B5R0.1 COCN(C)C 2230a_100102631434_100000766300 [0,0,0,0,0,0|3,0,1]=4 95 B5R0.1 COCN(C)C 269982a_100102631434_100000766300 [0,0,0,0,0,0|3,0,1]=4 96 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [0,0,0,0,0,0|3,0,1]=4 97 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [0,0,0,0,0,0|3,0,1]=4 98 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [0,0,0,0,0,0|2,0,2]=4 99 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [0,0,0,0,0,0|2,0,2]=4 100 B5R0.1 CSCN(C)C 2230a_100102631434_100011218213 [0,0,0,0,0,0|3,0,1]=4 101 B5R0.1 CSCN(C)C 269982a_100102631434_100011218213 [0,0,0,0,0,0|3,0,1]=4 102 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [0,0,0,0,0,0|2,0,1]=3 103 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [0,0,0,0,0,0|2,0,1]=3 104 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [0,0,0,0,0,0|2,0,1]=3 105 B5R0.1 [13CH3]C(=O)CC#N 1458a_100051588842_200025704644 [0,0,0,0,0,0|2,0,2]=4 106 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [0,0,0,0,0,0|1,1,1]=3 107 B4R0.1 C#CC(=O)C 1458a_100000211873_200000210301 [1,0,0,0,0,0|1,0,2]=4 108 B4R0.1 C#CC(=O)[13CH3] 1458a_100000211873_200025704644 [1,0,0,0,0,0|1,0,2]=4 109 B4R0.1 C=CC(=O)C 1458a_100000185746_200000210301 [1,0,0,0,0,0|1,0,1]=3 110 B4R0.1 C=CC(=O)[13CH3] 1458a_100000185746_200025704644 [1,0,0,0,0,0|1,0,1]=3 111 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [1,0,0,0,0,0|2,0,0]=3 112 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [1,0,0,0,0,0|1,1,0]=3 113 B4R0.1 CC(C)N[13CH3] 2230a_100138425928_200025704644 [1,0,0,0,0,0|1,0,1]=3 114 B4R0.1 CC(C)N[13CH3] 34a_100138425928_200025704644 [1,0,0,0,0,0|1,0,1]=3 115 B4R0.1 CC(C)O[13CH3] 34a_100000212225_200025704644 [1,0,0,0,0,0|1,0,1]=3 116 B4R0.1 CC(C)S[13CH3] 62a_100000210206_200025704644 [1,0,0,0,0,0|1,0,1]=3 117 B4R0.1 CC(C)S[13CH3] 62a_200025704644_100000210206 [1,0,0,0,0,0|1,0,1]=3 118 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [1,0,0,0,0,0|1,0,1]=3 119 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [1,0,0,0,0,0|1,0,1]=3 120 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [1,0,0,0,0,0|1,0,1]=3 121 B4R0.1 CCN(C)C 2230a_100000225621_200000210301 [1,0,0,0,0,0|1,0,1]=3 122 B4R0.1 CCN(C)C 2230a_100102631434_100000210202 [1,0,0,0,0,0|1,0,1]=3 123 B4R0.1 CCN(C)C 269982a_100000225621_200000210301 [1,0,0,0,0,0|1,0,1]=3 124 B4R0.1 CCN(C)C 269982a_100102631434_100000204670 [1,0,0,0,0,0|1,0,1]=3 125 B4R0.1 CCN(C)[13CH3] 2230a_100000225621_200025704644 [1,0,0,0,0,0|1,0,1]=3 126 B4R0.1 CCN(C)[13CH3] 269982a_100000225621_200025704644 [1,0,0,0,0,0|1,0,1]=3 127 B4R0.1 CN(C)CF 269982a_100102631434_100015361967 [1,0,0,0,0,0|2,0,0]=3 128 B4R0.1 CNC(=O)C 11a_106832991635_100015343762 [1,0,0,0,0,0|2,0,0]=3 129 B4R0.1 CNC(=O)C 1626a_100102657272_100015343762 [1,0,0,0,0,0|2,0,0]=3 130 B4R0.1 CNC(=O)C 240690a_100102657272_100015343762 [1,0,0,0,0,0|2,0,0]=3 131 B4R0.1 CNC(=O)C 527a_100102657272_100103153847 [1,0,0,0,0,0|2,0,0]=3 132 B4R0.1 CNC(C)C 2230a_100138425928_200000210301 [1,0,0,0,0,0|1,0,1]=3 133 B4R0.1 CNC(C)C 2230a_106832991635_100000210206 [1,0,0,0,0,0|1,0,1]=3 134 B4R0.1 CNC(C)C 34a_100102657272_100000210206 [1,0,0,0,0,0|1,0,1]=3 135 B4R0.1 CNC(C)C 34a_100138425928_200000210301 [1,0,0,0,0,0|1,0,1]=3 136 B4R0.1 CNC(C)C 7a_106832991635_100000210206 [1,0,0,0,0,0|1,0,1]=3 137 B4R0.1 COC(C)C 34a_100000212225_200000210301 [1,0,0,0,0,0|1,0,1]=3 138 B4R0.1 COC(C)C 34a_100138415774_100000210206 [1,0,0,0,0,0|1,0,1]=3 139 B4R0.1 CSC(C)C 62a_100000210206_200000210301 [1,0,0,0,0,0|1,0,1]=3 140 B4R0.1 CSC(C)C 62a_200000210301_100000210206 [1,0,0,0,0,0|1,0,1]=3 141 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [1,0,0,0,0,0|1,1,0]=3 142 B4R0.2 CCCNC 2230a_106832991635_100000210303 [1,0,0,0,0,0|2,0,1]=4 143 B4R0.2 CCCNC 34a_100102657272_100000210303 [1,0,0,0,0,0|2,0,1]=4 144 B4R0.2 CCCNC 7a_106832991635_100000210303 [1,0,0,0,0,0|2,0,1]=4 145 B4R0.2 CCCOC 34a_100000210258_200000210301 [1,0,0,0,0,0|2,0,1]=4 146 B4R0.2 CCCOC 34a_100138415774_100000210303 [1,0,0,0,0,0|2,0,1]=4 147 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [1,0,0,0,0,0|2,0,1]=4 148 B4R0.2 CCCSC 62a_100000210303_200000210301 [1,0,0,0,0,0|2,0,1]=4 149 B4R0.2 CCCSC 62a_200000210301_100000210303 [1,0,0,0,0,0|2,0,1]=4 150 B4R0.2 CCCS[13CH3] 62a_100000210303_200025704644 [1,0,0,0,0,0|2,0,1]=4 151 B4R0.2 CCCS[13CH3] 62a_200025704644_100000210303 [1,0,0,0,0,0|2,0,1]=4 152 B4R0.2 CCNCC 2230a_100015525214_100000210202 [1,0,0,0,0,0|2,0,1]=4 153 B4R0.2 CCOCC 34a_100121572206_100000210202 [1,0,0,0,0,0|2,0,1]=4 154 B4R0.2 CCOCF 34a_100121572206_100015361967 [1,0,0,0,0,0|2,0,1]=4 155 B4R0.2 CCSCC 62a_100000210202_100000210202 [1,0,0,0,0,0|2,0,1]=4 156 B4R0.2 CCSCF 62a_100000210202_100015361967 [1,0,0,0,0,0|2,0,1]=4 157 B4R0.2 CCSCF 62a_100015361967_100000210202 [1,0,0,0,0,0|2,0,1]=4 158 B4R0.2 CNCCF 2230a_106832991635_100011217306 [1,0,0,0,0,0|2,0,1]=4 159 B4R0.2 CNCCF 34a_100000724931_200000210301 [1,0,0,0,0,0|2,0,1]=4 160 B4R0.2 CNCCF 34a_100102657272_100011217306 [1,0,0,0,0,0|2,0,1]=4 161 B4R0.2 CNCCF 7a_106832991635_100011217306 [1,0,0,0,0,0|2,0,1]=4 162 B4R0.2 CNCCO 2230a_100016997473_200000210301 [1,0,0,0,0,0|1,1,1]=4 163 B4R0.2 CNCCO 2230a_106832991635_100000211926 [1,0,0,0,0,0|1,1,1]=4 164 B4R0.2 CNCCO 34a_100016990907_200000210301 [1,0,0,0,0,0|1,1,1]=4 165 B4R0.2 CNCCO 34a_100102657272_100000211926 [1,0,0,0,0,0|1,1,1]=4 166 B4R0.2 CNCCO 7a_106832991635_100000211926 [1,0,0,0,0,0|1,1,1]=4 167 B4R0.2 COCCBr 34a_100000211926_200000210301 [1,0,0,0,0,0|2,0,1]=4 168 B4R0.2 COCCF 34a_100138415774_100011217306 [1,0,0,0,0,0|2,0,1]=4 169 B4R0.2 COCCN 34a_100000210304_200000210301 [1,0,0,0,0,0|2,0,1]=4 170 B4R0.2 COCCO 34a_100138415774_100000211926 [1,0,0,0,0,0|1,1,1]=4 171 B4R0.2 CSCCF 62a_100011217306_200000210301 [1,0,0,0,0,0|2,0,1]=4 172 B4R0.2 CSCCF 62a_200000210301_100011217306 [1,0,0,0,0,0|2,0,1]=4 173 B4R0.2 CSCCO 62a_100000211926_200000210301 [1,0,0,0,0,0|1,1,1]=4 174 B4R0.2 CSCCO 62a_200000210301_100000211926 [1,0,0,0,0,0|1,1,1]=4 175 B4R0.2 [13CH3]NCCF 34a_100000724931_200025704644 [1,0,0,0,0,0|2,0,1]=4 176 B4R0.2 [13CH3]NCCO 2230a_100016997473_200025704644 [1,0,0,0,0,0|1,1,1]=4 177 B4R0.2 [13CH3]NCCO 34a_100016990907_200025704644 [1,0,0,0,0,0|1,1,1]=4 178 B4R0.2 [13CH3]OCCBr 34a_100000211926_200025704644 [1,0,0,0,0,0|2,0,1]=4 179 B4R0.2 [13CH3]OCCN 34a_100000210304_200025704644 [1,0,0,0,0,0|2,0,1]=4 180 B4R0.2 [13CH3]SCCF 62a_100011217306_200025704644 [1,0,0,0,0,0|2,0,1]=4 181 B4R0.2 [13CH3]SCCF 62a_200025704644_100011217306 [1,0,0,0,0,0|2,0,1]=4 182 B4R0.2 [13CH3]SCCO 62a_100000211926_200025704644 [1,0,0,0,0,0|1,1,1]=4 183 B4R0.2 [13CH3]SCCO 62a_200025704644_100000211926 [1,0,0,0,0,0|1,1,1]=4 184 B6R0.1 C/C=C/C(C)OC 34a_200102604097_200000210301 [0,1,0,0,0,0|1,0,2]=4 185 B6R0.1 C/C=C/C(C)O[13CH3] 34a_200102604097_200025704644 [0,1,0,0,0,0|1,0,2]=4 186 B6R0.1 CC(CCBr)O[13CH3] 34a_100012276601_200025704644 [0,1,0,0,0,0|1,0,2]=4 187 B6R0.1 CC(CCO)S[13CH3] 62a_100009893172_200025704644 [0,1,0,0,0,0|0,1,2]=4 188 B6R0.1 CC(CCO)S[13CH3] 62a_200025704644_100009893172 [0,1,0,0,0,0|0,1,2]=4 189 B6R0.1 CC(CF)OCF 34a_100016041109_100015361967 [0,1,0,0,0,0|2,0,1]=4 190 B6R0.1 CC(CF)OCF 7a_100016041109_100015361967 [0,1,0,0,0,0|2,0,1]=4 191 B6R0.1 CC(CN)OCF 34a_100000210904_100015361967 [0,1,0,0,0,0|2,0,1]=4 192 B6R0.1 CC(CO)SCF 62a_100012180447_100015361967 [0,1,0,0,0,0|2,0,1]=4 193 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [0,1,0,0,0,0|2,0,1]=4 194 B6R0.1 CC=CC(=O)CF 1458a_100000210699_100015361967 [0,1,0,0,0,0|2,0,1]=4 195 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [0,1,0,0,0,0|2,0,1]=4 196 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [0,1,0,0,0,0|2,0,1]=4 197 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [0,1,0,0,0,0|2,0,1]=4 198 B6R0.1 CCC(=O)C=CBr 1458a_100016273825_100000210202 [0,1,0,0,0,0|2,0,1]=4 199 B6R0.1 CCC(=O)C=CCl 1458a_200016279998_100000210202 [0,1,0,0,0,0|2,0,1]=4 200 B6R0.1 CCC(=O)C=CI 1458a_100016256311_100000210202 [0,1,0,0,0,0|2,0,1]=4 201 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [0,1,0,0,0,0|2,0,1]=4 202 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [0,1,0,0,0,0|1,1,1]=4 203 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [0,1,0,0,0,0|1,1,1]=4 204 B6R0.1 CCC(C)OCF 7a_100000210228_100015361967 [0,1,0,0,0,0|2,0,1]=4 205 B6R0.1 CCC(C)SCF 62a_100000758301_100015361967 [0,1,0,0,0,0|2,0,1]=4 206 B6R0.1 CCC(C)SCF 62a_100015361967_100000758301 [0,1,0,0,0,0|2,0,1]=4 207 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [0,1,0,0,0,0|2,0,1]=4 208 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [0,1,0,0,0,0|2,0,1]=4 209 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [0,1,0,0,0,0|2,0,1]=4 210 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [0,1,0,0,0,0|2,0,1]=4 211 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [0,1,0,0,0,0|2,0,1]=4 212 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [0,1,0,0,0,0|2,0,1]=4 213 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [0,1,0,0,0,0|2,0,1]=4 214 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [0,1,0,0,0,0|2,0,1]=4 215 B6R0.1 CCCC(C)NC 2230a_100000741246_200000210301 [0,1,0,0,0,0|1,0,2]=4 216 B6R0.1 CCCC(C)NC 2230a_106832991635_100000766640 [0,1,0,0,0,0|1,0,2]=4 217 B6R0.1 CCCC(C)NC 270004a_106832991635_100000211909 [0,1,0,0,0,0|1,0,2]=4 218 B6R0.1 CCCC(C)NC 34a_100102657272_100000766640 [0,1,0,0,0,0|1,0,2]=4 219 B6R0.1 CCCC(C)NC 7a_106832991635_100000766640 [0,1,0,0,0,0|1,0,2]=4 220 B6R0.1 CCCC(C)N[13CH3] 2230a_100000741246_200025704644 [0,1,0,0,0,0|1,0,2]=4 221 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [0,1,0,0,0,0|1,0,2]=4 222 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [0,1,0,0,0,0|1,0,2]=4 223 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [0,1,0,0,0,0|1,0,2]=4 224 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [0,1,0,0,0,0|1,0,2]=4 225 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [0,1,0,0,0,0|1,0,2]=4 226 B6R0.1 CCCC(C)SC 62a_100000766640_200000210301 [0,1,0,0,0,0|1,0,2]=4 227 B6R0.1 CCCC(C)SC 62a_200000210301_100000766640 [0,1,0,0,0,0|1,0,2]=4 228 B6R0.1 CCCC(C)S[13CH3] 62a_100000766640_200025704644 [0,1,0,0,0,0|1,0,2]=4 229 B6R0.1 CCCC(C)S[13CH3] 62a_200025704644_100000766640 [0,1,0,0,0,0|1,0,2]=4 230 B6R0.1 CCCN(C)CC 2230a_100000225621_100000210303 [0,1,0,0,0,0|2,0,1]=4 231 B6R0.1 CCCN(C)CC 2230a_100000226822_200000210301 [0,1,0,0,0,0|2,0,1]=4 232 B6R0.1 CCCN(C)CC 2230a_100000747261_100000210202 [0,1,0,0,0,0|2,0,1]=4 233 B6R0.1 CCCN(C)CC 269982a_100000225621_100000210303 [0,1,0,0,0,0|2,0,1]=4 234 B6R0.1 CCCN(C)CC 269982a_100000226822_200000210301 [0,1,0,0,0,0|2,0,1]=4 235 B6R0.1 CCCN(C)CC 269982a_100000747261_100000204670 [0,1,0,0,0,0|2,0,1]=4 236 B6R0.1 CCCN(C)CF 269982a_100000747261_100015361967 [0,1,0,0,0,0|2,0,1]=4 237 B6R0.1 CCCN([13CH3])CC 2230a_100000226822_200025704644 [0,1,0,0,0,0|2,0,1]=4 238 B6R0.1 CCCN([13CH3])CC 269982a_100000226822_200025704644 [0,1,0,0,0,0|2,0,1]=4 239 B6R0.1 CCN(C)CCF 2230a_100000225621_100011217306 [0,1,0,0,0,0|2,0,1]=4 240 B6R0.1 CCN(C)CCF 269982a_100000225621_100011217306 [0,1,0,0,0,0|2,0,1]=4 241 B6R0.1 CCN(C)CCO 2230a_100000210263_100000210202 [0,1,0,0,0,0|1,1,1]=4 242 B6R0.1 CCN(C)CCO 2230a_100000210973_200000210301 [0,1,0,0,0,0|1,1,1]=4 243 B6R0.1 CCN(C)CCO 2230a_100000225621_100000211926 [0,1,0,0,0,0|1,1,1]=4 244 B6R0.1 CCN(C)CCO 269982a_100000210263_100000204670 [0,1,0,0,0,0|1,1,1]=4 245 B6R0.1 CCN(C)CCO 269982a_100000210973_200000210301 [0,1,0,0,0,0|1,1,1]=4 246 B6R0.1 CCN(C)CCO 269982a_100000225621_100000211926 [0,1,0,0,0,0|1,1,1]=4 247 B6R0.1 CCN([13CH3])CCO 2230a_100000210973_200025704644 [0,1,0,0,0,0|1,1,1]=4 248 B6R0.1 CCN([13CH3])CCO 269982a_100000210973_200025704644 [0,1,0,0,0,0|1,1,1]=4 249 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [0,1,0,0,0,0|3,0,0]=4 250 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [0,1,0,0,0,0|3,0,0]=4 251 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [0,1,0,0,0,0|3,0,0]=4 252 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [0,1,0,0,0,0|3,0,0]=4 253 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [0,1,0,0,0,0|3,0,0]=4 254 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [0,1,0,0,0,0|3,0,0]=4 255 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [0,1,0,0,0,0|3,0,0]=4 256 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [0,1,0,0,0,0|3,0,0]=4 257 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [0,1,0,0,0,0|3,0,0]=4 258 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [0,1,0,0,0,0|3,0,0]=4 259 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [0,1,0,0,0,0|3,0,0]=4 260 B6R0.1 CCNC(C)CC 2230a_100000209981_100000210202 [0,1,0,0,0,0|2,0,1]=4 261 B6R0.1 CCNC(C)CC 2230a_100015525214_100000758301 [0,1,0,0,0,0|2,0,1]=4 262 B6R0.1 CCNC(C)CO 2230a_100015525214_100012180447 [0,1,0,0,0,0|2,0,1]=4 263 B6R0.1 CCN[C@H](C)CO 2230a_100000737577_100000210202 [0,1,0,0,0,0|2,0,1]=4 264 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [0,1,0,0,0,0|2,0,1]=4 265 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [0,1,0,0,0,0|2,0,1]=4 266 B6R0.1 CCOC(C)CF 34a_100016041109_100000210202 [0,1,0,0,0,0|2,0,1]=4 267 B6R0.1 CCOC(C)CF 7a_100016041109_100000210202 [0,1,0,0,0,0|2,0,1]=4 268 B6R0.1 CCOC(C)CN 34a_100000210904_100000210202 [0,1,0,0,0,0|2,0,1]=4 269 B6R0.1 CCOC(C)CO 34a_100121572206_100012180447 [0,1,0,0,0,0|2,0,1]=4 270 B6R0.1 CCSC(C)CC 62a_100000210202_100000758301 [0,1,0,0,0,0|2,0,1]=4 271 B6R0.1 CCSC(C)CC 62a_100000758301_100000210202 [0,1,0,0,0,0|2,0,1]=4 272 B6R0.1 CCSC(C)CO 62a_100012180447_100000210202 [0,1,0,0,0,0|2,0,1]=4 273 B6R0.1 CCSC(C)OC 62a_100000210202_100009879195 [0,1,0,0,0,0|2,0,1]=4 274 B6R0.1 CCSC(C)OC 62a_100009879195_100000210202 [0,1,0,0,0,0|2,0,1]=4 275 B6R0.1 CCS[C@H](C)CO 62a_100000210202_100016084084 [0,1,0,0,0,0|2,0,1]=4 276 B6R0.1 CCS[C@H](C)CO 62a_100016084084_100000210202 [0,1,0,0,0,0|2,0,1]=4 277 B6R0.1 CN(CF)CCO 269982a_100000210263_100015361967 [0,1,0,0,0,0|1,1,1]=4 278 B6R0.1 CNC(=O)C=CBr 1626a_100102657272_100016273825 [0,1,0,0,0,0|2,0,1]=4 279 B6R0.1 CNC(=O)C=CBr 240690a_100102657272_100016273825 [0,1,0,0,0,0|2,0,1]=4 280 B6R0.1 CNC(=O)C=CCl 11a_106832991635_200016279998 [0,1,0,0,0,0|2,0,1]=4 281 B6R0.1 CNC(=O)C=CCl 1626a_100102657272_200016279998 [0,1,0,0,0,0|2,0,1]=4 282 B6R0.1 CNC(=O)C=CCl 240690a_100102657272_200016279998 [0,1,0,0,0,0|2,0,1]=4 283 B6R0.1 CNC(=O)C=CI 1626a_100102657272_100016256311 [0,1,0,0,0,0|2,0,1]=4 284 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [0,1,0,0,0,0|1,1,1]=4 285 B6R0.1 CNC(C)CCO 2230a_106832991635_100009893172 [0,1,0,0,0,0|0,1,2]=4 286 B6R0.1 CNC(C)CCO 34a_100102657272_100009893172 [0,1,0,0,0,0|0,1,2]=4 287 B6R0.1 CNC(C)CCO 7a_106832991635_100009893172 [0,1,0,0,0,0|0,1,2]=4 288 B6R0.1 CN[C@H](C)CCO 2230a_100000706166_200000210301 [0,1,0,0,0,0|0,1,2]=4 289 B6R0.1 CN[C@H](C)CCO 34a_100000706166_200000210301 [0,1,0,0,0,0|0,1,2]=4 290 B6R0.1 COC(C)CCBr 34a_100012276601_200000210301 [0,1,0,0,0,0|1,0,2]=4 291 B6R0.1 COC(C)CCO 34a_100138415774_100009893172 [0,1,0,0,0,0|0,1,2]=4 292 B6R0.1 COC(C)SCF 62a_100009879195_100015361967 [0,1,0,0,0,0|2,0,1]=4 293 B6R0.1 COC(C)SCF 62a_100015361967_100009879195 [0,1,0,0,0,0|2,0,1]=4 294 B6R0.1 CSC(C)CCO 62a_100009893172_200000210301 [0,1,0,0,0,0|0,1,2]=4 295 B6R0.1 CSC(C)CCO 62a_200000210301_100009893172 [0,1,0,0,0,0|0,1,2]=4 296 B6R0.1 C[C@H](CCO)N[13CH3] 2230a_100000706166_200025704644 [0,1,0,0,0,0|0,1,2]=4 297 B6R0.1 C[C@H](CCO)N[13CH3] 34a_100000706166_200025704644 [0,1,0,0,0,0|0,1,2]=4 298 B6R0.1 C[C@H](CO)SCF 62a_100015361967_100016084084 [0,1,0,0,0,0|2,0,1]=4 299 B6R0.1 C[C@H](CO)SCF 62a_100016084084_100015361967 [0,1,0,0,0,0|2,0,1]=4 300 B6R0.1 O=C(C=CBr)CF 1458a_100016273825_100015361967 [0,1,0,0,0,0|2,0,1]=4 301 B6R0.1 O=C(C=CCl)CF 1458a_200016279998_100015361967 [0,1,0,0,0,0|2,0,1]=4 302 B6R0.1 O=C(C=CI)CF 1458a_100016256311_100015361967 [0,1,0,0,0,0|2,0,1]=4 303 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [0,1,0,0,0,0|1,1,1]=4 304 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [0,1,0,0,0,0|2,0,1]=4 305 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [0,1,0,0,0,0|1,1,1]=4 306 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [0,1,0,0,0,0|0,1,1]=3 307 B6R0.2 CC(=CC(=O)[13CH3])Cl 1458a_200042562850_200025704644 [0,1,0,0,0,0|1,1,1]=4 308 B6R0.2 CC(=CC(=O)[13CH3])I 1458a_100025716642_200025704644 [0,1,0,0,0,0|1,1,1]=4 309 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [0,1,0,0,0,0|0,1,1]=3 310 B6R0.2 CC(=O)C=C(C)Cl 1458a_200042562850_200000210301 [0,1,0,0,0,0|1,1,1]=4 311 B6R0.2 CC(=O)C=C(C)I 1458a_100025716642_200000210301 [0,1,0,0,0,0|1,1,1]=4 312 B6R0.2 CC(=O)C=C(Cl)Cl 1458a_100000137448_200000210301 [0,1,0,0,0,0|2,0,1]=4 313 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [0,1,0,0,0,0|2,0,1]=4 314 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [0,1,0,0,0,0|2,0,1]=4 315 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [0,1,0,0,0,0|1,1,1]=4 316 B6R0.2 CC(=O)CC(F)F 1458a_100000070787_100011934356 [0,1,0,0,0,0|2,0,1]=4 317 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [0,1,0,0,0,0|1,1,1]=4 318 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [0,1,0,0,0,0|3,0,0]=4 319 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [0,1,0,0,0,0|3,0,0]=4 320 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [0,1,0,0,0,0|3,0,0]=4 321 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [0,1,0,0,0,0|3,0,0]=4 322 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [0,1,0,0,0,0|2,0,1]=4 323 B6R0.2 CC(C)CN(C)C 2230a_100000747067_200000210301 [0,1,0,0,0,0|2,0,1]=4 324 B6R0.2 CC(C)CN(C)C 2230a_100102631434_100000210760 [0,1,0,0,0,0|2,0,1]=4 325 B6R0.2 CC(C)CN(C)C 269982a_100000747067_200000210301 [0,1,0,0,0,0|2,0,1]=4 326 B6R0.2 CC(C)CN(C)C 269982a_100102631434_100000210624 [0,1,0,0,0,0|2,0,1]=4 327 B6R0.2 CC(C)CN(C)C 270004a_100102631434_100000210432 [0,1,0,0,0,0|2,0,1]=4 328 B6R0.2 CC(C)CN(C)[13CH3] 2230a_100000747067_200025704644 [0,1,0,0,0,0|2,0,1]=4 329 B6R0.2 CC(C)CN(C)[13CH3] 269982a_100000747067_200025704644 [0,1,0,0,0,0|2,0,1]=4 330 B6R0.2 CC(C)NC(C)C 2230a_100138425928_100000210206 [0,1,0,0,0,0|2,0,1]=4 331 B6R0.2 CC(C)NC(C)C 34a_100138425928_100000210206 [0,1,0,0,0,0|2,0,1]=4 332 B6R0.2 CC(C)OC(C)C 34a_100000212225_100000210206 [0,1,0,0,0,0|2,0,1]=4 333 B6R0.2 CC(C)SC(C)C 62a_100000210206_100000210206 [0,1,0,0,0,0|2,0,1]=4 334 B6R0.2 CC(O)CN(C)C 2230a_100000227577_200000210301 [0,1,0,0,0,0|1,1,1]=4 335 B6R0.2 CC(O)CN(C)C 2230a_100102631434_100011218427 [0,1,0,0,0,0|1,1,1]=4 336 B6R0.2 CC(O)CN(C)C 269982a_100000227577_200000210301 [0,1,0,0,0,0|1,1,1]=4 337 B6R0.2 CC(O)CN(C)C 269982a_100102631434_100011218427 [0,1,0,0,0,0|1,1,1]=4 338 B6R0.2 CC(O)CN(C)[13CH3] 2230a_100000227577_200025704644 [0,1,0,0,0,0|1,1,1]=4 339 B6R0.2 CC(O)CN(C)[13CH3] 269982a_100000227577_200025704644 [0,1,0,0,0,0|1,1,1]=4 340 B6R0.2 CN(C)CC(F)F 2230a_100102631434_100011934356 [0,1,0,0,0,0|2,0,1]=4 341 B6R0.2 CN(C)CC(F)F 269982a_100102631434_100011934356 [0,1,0,0,0,0|2,0,1]=4 342 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [0,1,0,0,0,0|1,1,1]=4 343 B6R0.2 C[C@@H](O)CN(C)C 2230a_100102631434_100009817552 [0,1,0,0,0,0|1,1,1]=4 344 B6R0.2 C[C@@H](O)CN(C)C 269982a_100102631434_100009817552 [0,1,0,0,0,0|1,1,1]=4 345 B6R0.2 [13CH3]C(=O)C=C(Cl)Cl 1458a_100000137448_200025704644 [0,1,0,0,0,0|2,0,1]=4 346 B6R0.3 C#CC(=O)C(C)C 1458a_100000211873_100000210206 [0,1,0,0,0,0|1,0,2]=4 347 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [0,1,0,0,0,0|2,0,1]=4 348 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [0,1,0,0,0,0|2,0,1]=4 349 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [0,1,0,0,0,0|1,0,1]=3 350 B6R0.3 C=C(C)C(=O)CF 1458a_100000185857_100015361967 [0,1,0,0,0,0|1,0,1]=3 351 B6R0.3 C=C(C)C(=O)NC 11a_106832991635_100000185857 [0,1,0,0,0,0|2,0,1]=4 352 B6R0.3 C=C(C)C(=O)NC 1626a_100102657272_100000185857 [0,1,0,0,0,0|2,0,1]=4 353 B6R0.3 C=CC(=O)C(C)C 1458a_100000185746_100000210206 [0,1,0,0,0,0|1,0,2]=4 354 B6R0.3 C=CC(=O)N(C)C 1626a_100102631434_100000185746 [0,1,0,0,0,0|2,0,1]=4 355 B6R0.3 C=CC(=O)N(C)C 240690a_100102631434_200121576911 [0,1,0,0,0,0|2,0,1]=4 356 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [0,1,0,0,0,0|1,1,1]=4 357 B6R0.3 CC(C)C(=O)CF 1458a_100000210198_100015361967 [0,1,0,0,0,0|1,0,1]=3 358 B6R0.3 CC(C)C(=O)CO 1458a_100000210174_100000210206 [0,1,0,0,0,0|0,1,1]=3 359 B6R0.3 CC(C)N(C)CF 269982a_200000211004_100015361967 [0,1,0,0,0,0|2,0,1]=4 360 B6R0.3 CC(CO)N(C)C 2230a_100000693034_200000210301 [0,1,0,0,0,0|1,1,1]=4 361 B6R0.3 CC(CO)N(C)C 2230a_100102631434_100012180447 [0,1,0,0,0,0|1,1,1]=4 362 B6R0.3 CC(CO)N(C)C 269982a_100000693034_200000210301 [0,1,0,0,0,0|1,1,1]=4 363 B6R0.3 CC(CO)N(C)[13CH3] 2230a_100000693034_200025704644 [0,1,0,0,0,0|1,1,1]=4 364 B6R0.3 CC(CO)N(C)[13CH3] 269982a_100000693034_200025704644 [0,1,0,0,0,0|1,1,1]=4 365 B6R0.3 CC(F)C(=O)CF 1458a_100000062450_100015361967 [0,1,0,0,0,0|2,0,1]=4 366 B6R0.3 CCC(=O)C(C)C 1458a_100000210198_100000210202 [0,1,0,0,0,0|1,0,1]=3 367 B6R0.3 CCC(=O)C(C)C 1458a_100000210414_100000210206 [0,1,0,0,0,0|1,0,1]=3 368 B6R0.3 CCC(=O)C(C)F 1458a_100000062450_100000210202 [0,1,0,0,0,0|2,0,1]=4 369 B6R0.3 CCC(=O)N(C)C 11a_100102631434_100000210414 [0,1,0,0,0,0|2,0,0]=3 370 B6R0.3 CCC(=O)N(C)C 1626a_100102631434_100000210414 [0,1,0,0,0,0|2,0,0]=3 371 B6R0.3 CCC(=O)N(C)C 240690a_100102631434_100000210414 [0,1,0,0,0,0|2,0,0]=3 372 B6R0.3 CCC(=O)N(C)C 527a_100102631434_100000210414 [0,1,0,0,0,0|2,0,0]=3 373 B6R0.3 CCC(=O)[C@@H](C)O 1458a_100000717761_100000210202 [0,1,0,0,0,0|2,0,1]=4 374 B6R0.3 CCC(=O)[C@H](C)O 1458a_217856618621_100000210202 [0,1,0,0,0,0|2,0,1]=4 375 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [0,1,0,0,0,0|2,0,1]=4 376 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [0,1,0,0,0,0|2,0,1]=4 377 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [0,1,0,0,0,0|2,0,1]=4 378 B6R0.3 CCC(C)N(C)C 2230a_100000741768_200000210301 [0,1,0,0,0,0|2,0,1]=4 379 B6R0.3 CCC(C)N(C)C 2230a_100102631434_100000758301 [0,1,0,0,0,0|2,0,1]=4 380 B6R0.3 CCC(C)N(C)C 269982a_100000741768_200000210301 [0,1,0,0,0,0|2,0,1]=4 381 B6R0.3 CCC(C)N(C)C 269982a_100102631434_100000758301 [0,1,0,0,0,0|2,0,1]=4 382 B6R0.3 CCC(C)N(C)[13CH3] 2230a_100000741768_200025704644 [0,1,0,0,0,0|2,0,1]=4 383 B6R0.3 CCC(C)N(C)[13CH3] 269982a_100000741768_200025704644 [0,1,0,0,0,0|2,0,1]=4 384 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [0,1,0,0,0,0|2,0,1]=4 385 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [0,1,0,0,0,0|2,0,1]=4 386 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [0,1,0,0,0,0|3,0,0]=4 387 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [0,1,0,0,0,0|3,0,0]=4 388 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [0,1,0,0,0,0|3,0,0]=4 389 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [0,1,0,0,0,0|3,0,0]=4 390 B6R0.3 CCN(C)C(C)C 2230a_100000223864_200000210301 [0,1,0,0,0,0|2,0,1]=4 391 B6R0.3 CCN(C)C(C)C 2230a_100000225621_100000210206 [0,1,0,0,0,0|2,0,1]=4 392 B6R0.3 CCN(C)C(C)C 269982a_100000223864_200000210301 [0,1,0,0,0,0|2,0,1]=4 393 B6R0.3 CCN(C)C(C)C 269982a_100000225621_100000210206 [0,1,0,0,0,0|2,0,1]=4 394 B6R0.3 CCN(C)C(C)C 269982a_200000211004_100000204670 [0,1,0,0,0,0|2,0,1]=4 395 B6R0.3 CCN([13CH3])C(C)C 2230a_100000223864_200025704644 [0,1,0,0,0,0|2,0,1]=4 396 B6R0.3 CCN([13CH3])C(C)C 269982a_100000223864_200025704644 [0,1,0,0,0,0|2,0,1]=4 397 B6R0.3 CN(C)C(=O)CO 240690a_100102631434_100000210174 [0,1,0,0,0,0|1,1,0]=3 398 B6R0.3 CN(C)C(=O)CO 527a_100102631434_100000210174 [0,1,0,0,0,0|1,1,0]=3 399 B6R0.3 CNC(=O)C(=O)C 1458a_100011218921_200000210301 [0,1,0,0,0,0|3,0,0]=4 400 B6R0.3 CNC(=O)C(=O)[13CH3] 1458a_100011218921_200025704644 [0,1,0,0,0,0|3,0,0]=4 401 B6R0.3 CNC(=O)C(C)C 11a_106832991635_100000210198 [0,1,0,0,0,0|2,0,1]=4 402 B6R0.3 CNC(=O)C(C)C 1626a_100102657272_100000210198 [0,1,0,0,0,0|2,0,1]=4 403 B6R0.3 CNC(=O)C(C)C 240690a_100102657272_100000210198 [0,1,0,0,0,0|2,0,1]=4 404 B6R0.3 CNC(=O)C(C)C 527a_100102657272_100000210198 [0,1,0,0,0,0|2,0,1]=4 405 B6R0.3 CNC(=O)N(C)C 2708a_100102657272_100102631434 [0,1,0,0,0,0|3,0,0]=4 406 B6R0.3 C[C@@H](O)C(=O)CF 1458a_100000717761_100015361967 [0,1,0,0,0,0|2,0,1]=4 407 B6R0.3 C[C@H](CO)N(C)C 269982a_100102631434_100016084084 [0,1,0,0,0,0|1,1,1]=4 408 B6R0.3 C[C@H](O)C(=O)CF 1458a_217856618621_100015361967 [0,1,0,0,0,0|2,0,1]=4 409 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [0,1,0,0,0,0|1,1,1]=4 410 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [0,1,0,0,0,0|2,0,1]=4 411 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [0,1,0,0,0,0|2,0,1]=4 412 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [0,1,0,0,0,0|2,0,1]=4 413 B6R0.4 C#CCCN(C)C 2230a_100102631434_100000688953 [0,1,0,0,0,0|2,0,1]=4 414 B6R0.4 C#CCCN(C)C 269982a_100102631434_100000730999 [0,1,0,0,0,0|2,0,1]=4 415 B6R0.4 C#CCNC(=O)C 11a_100000212058_100015343762 [0,1,0,0,0,0|3,0,0]=4 416 B6R0.4 C#CCNC(=O)C 1626a_100000212058_100015343762 [0,1,0,0,0,0|3,0,0]=4 417 B6R0.4 C#CCNC(=O)C 240690a_100000212058_100015343762 [0,1,0,0,0,0|3,0,0]=4 418 B6R0.4 C#CCNC(=O)C 527a_100000212058_100103153847 [0,1,0,0,0,0|3,0,0]=4 419 B6R0.4 C#CCNC(C)C 2230a_100138425928_100000038162 [0,1,0,0,0,0|2,0,1]=4 420 B6R0.4 C#CCNC(C)C 34a_100000212058_100000210206 [0,1,0,0,0,0|2,0,1]=4 421 B6R0.4 C#CCNC(C)C 34a_100138425928_100000184674 [0,1,0,0,0,0|2,0,1]=4 422 B6R0.4 C#CCOC(C)C 34a_100000210247_100000210206 [0,1,0,0,0,0|2,0,1]=4 423 B6R0.4 C#CCOC(C)C 34a_100000212225_100000184674 [0,1,0,0,0,0|2,0,1]=4 424 B6R0.4 C#CCSC(C)C 62a_100000038162_100000210206 [0,1,0,0,0,0|2,0,1]=4 425 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [0,1,0,0,0,0|2,0,1]=4 426 B6R0.4 C/C=C/CN(C)C 269982a_100102631434_100102629194 [0,1,0,0,0,0|2,0,1]=4 427 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [0,1,0,0,0,0|1,0,2]=4 428 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [0,1,0,0,0,0|1,0,2]=4 429 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [0,1,0,0,0,0|1,0,2]=4 430 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [0,1,0,0,0,0|0,1,2]=4 431 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [0,1,0,0,0,0|0,1,2]=4 432 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [0,1,0,0,0,0|0,1,2]=4 433 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [0,1,0,0,0,0|0,0,2]=3 434 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [0,1,0,0,0,0|0,0,2]=3 435 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [0,1,0,0,0,0|0,0,2]=3 436 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [0,1,0,0,0,0|0,0,2]=3 437 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [0,1,0,0,0,0|1,0,2]=4 438 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [0,1,0,0,0,0|1,0,2]=4 439 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [0,1,0,0,0,0|1,0,2]=4 440 B6R0.4 C=C(C)COCF 34a_100000210245_100015361967 [0,1,0,0,0,0|1,0,2]=4 441 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [0,1,0,0,0,0|1,0,2]=4 442 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [0,1,0,0,0,0|1,0,2]=4 443 B6R0.4 C=C(C)CSCF 62a_100000748629_100015361967 [0,1,0,0,0,0|1,0,2]=4 444 B6R0.4 C=C(C)CSCF 62a_100015361967_100000211660 [0,1,0,0,0,0|1,0,2]=4 445 B6R0.4 C=CC=CC(=O)C 1458a_100016291481_200000210301 [0,1,0,0,0,0|2,0,1]=4 446 B6R0.4 C=CC=CC(=O)[13CH3] 1458a_100016291481_200025704644 [0,1,0,0,0,0|2,0,1]=4 447 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [0,1,0,0,0,0|2,0,1]=4 448 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [0,1,0,0,0,0|2,0,1]=4 449 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [0,1,0,0,0,0|2,0,1]=4 450 B6R0.4 C=CCCN(C)C 2230a_100020639649_200000210301 [0,1,0,0,0,0|2,0,1]=4 451 B6R0.4 C=CCCN(C)C 2230a_100102631434_100000754431 [0,1,0,0,0,0|2,0,1]=4 452 B6R0.4 C=CCCN(C)C 269982a_100020639649_200000210301 [0,1,0,0,0,0|2,0,1]=4 453 B6R0.4 C=CCCN(C)C 269982a_100102631434_100000754431 [0,1,0,0,0,0|2,0,1]=4 454 B6R0.4 C=CCCN(C)[13CH3] 2230a_100020639649_200025704644 [0,1,0,0,0,0|2,0,1]=4 455 B6R0.4 C=CCCN(C)[13CH3] 269982a_100020639649_200025704644 [0,1,0,0,0,0|2,0,1]=4 456 B6R0.4 C=CCNC(=O)C 1626a_100020586998_100015343762 [0,1,0,0,0,0|3,0,0]=4 457 B6R0.4 C=CCNC(=O)C 240690a_100020586998_100015343762 [0,1,0,0,0,0|3,0,0]=4 458 B6R0.4 C=CCNC(=O)C 527a_100020586998_100103153847 [0,1,0,0,0,0|3,0,0]=4 459 B6R0.4 C=CCNC(C)C 2230a_100020586998_100000210206 [0,1,0,0,0,0|2,0,1]=4 460 B6R0.4 C=CCNC(C)C 2230a_100138425928_100000210623 [0,1,0,0,0,0|2,0,1]=4 461 B6R0.4 C=CCNC(C)C 34a_100138425928_100015514636 [0,1,0,0,0,0|2,0,1]=4 462 B6R0.4 C=CCOC(C)C 34a_100000212225_100015514636 [0,1,0,0,0,0|2,0,1]=4 463 B6R0.4 C=CCOC(C)C 34a_200000210373_100000210206 [0,1,0,0,0,0|2,0,1]=4 464 B6R0.4 C=CCSC(C)C 62a_100000210206_100000210623 [0,1,0,0,0,0|2,0,1]=4 465 B6R0.4 C=CCSC(C)C 62a_100000210623_100000210206 [0,1,0,0,0,0|2,0,1]=4 466 B6R0.4 CC(=CCN[13CH3])C 34a_100000718196_200025704644 [0,1,0,0,0,0|1,0,0]=2 467 B6R0.4 CC(=CCO[13CH3])C 34a_100000753907_200025704644 [0,1,0,0,0,0|0,1,0]=2 468 B6R0.4 CC(=CCS[13CH3])C 62a_100000761012_200025704644 [0,1,0,0,0,0|0,0,0]=1 469 B6R0.4 CC(=CCS[13CH3])C 62a_200025704644_100000761012 [0,1,0,0,0,0|0,0,0]=1 470 B6R0.4 CC(=O)C#CCO 1458a_100000049017_200000210301 [0,1,0,0,0,0|1,1,1]=4 471 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [0,1,0,0,0,0|2,0,1]=4 472 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [0,1,0,0,0,0|2,0,1]=4 473 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [0,1,0,0,0,0|2,0,1]=4 474 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [0,1,0,0,0,0|1,1,1]=4 475 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [0,1,0,0,0,0|1,1,1]=4 476 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [0,1,0,0,0,0|1,1,1]=4 477 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [0,1,0,0,0,0|1,0,1]=3 478 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [0,1,0,0,0,0|1,0,1]=3 479 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [0,1,0,0,0,0|2,0,1]=4 480 B6R0.4 CC(=O)NCC#N 1626a_100000734998_100015343762 [0,1,0,0,0,0|3,0,0]=4 481 B6R0.4 CC(=O)NCC#N 527a_100000734998_100103153847 [0,1,0,0,0,0|3,0,0]=4 482 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [0,1,0,0,0,0|2,0,1]=4 483 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [0,1,0,0,0,0|2,0,1]=4 484 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [0,1,0,0,0,0|2,0,1]=4 485 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [0,1,0,0,0,0|2,0,1]=4 486 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [0,1,0,0,0,0|1,1,1]=4 487 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [0,1,0,0,0,0|1,1,1]=4 488 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [0,1,0,0,0,0|2,0,0]=3 489 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [0,1,0,0,0,0|2,0,0]=3 490 B6R0.4 CC(C)CCO[13CH3] 34a_100000210254_200025704644 [0,1,0,0,0,0|0,1,2]=4 491 B6R0.4 CC(C)CCO[13CH3] 7a_100000210254_200025704644 [0,1,0,0,0,0|0,1,2]=4 492 B6R0.4 CC(C)CCS[13CH3] 62a_100000210312_200025704644 [0,1,0,0,0,0|0,0,2]=3 493 B6R0.4 CC(C)CCS[13CH3] 62a_200025704644_100000210312 [0,1,0,0,0,0|0,0,2]=3 494 B6R0.4 CC(C)CNCF 34a_100000210953_100015361967 [0,1,0,0,0,0|1,0,2]=4 495 B6R0.4 CC(C)COCF 34a_100000210257_100015361967 [0,1,0,0,0,0|1,0,2]=4 496 B6R0.4 CC(C)CSCF 62a_100000210624_100015361967 [0,1,0,0,0,0|1,0,2]=4 497 B6R0.4 CC(C)CSCF 62a_100015361967_100000210760 [0,1,0,0,0,0|1,0,2]=4 498 B6R0.4 CC(C)NCC#N 2230a_100138425928_100011215382 [0,1,0,0,0,0|2,0,1]=4 499 B6R0.4 CC(C)NCC=O 2230a_100138425928_200015260668 [0,1,0,0,0,0|1,1,1]=4 500 B6R0.4 CC(C)NCC=O 34a_100138425928_200009817547 [0,1,0,0,0,0|1,1,1]=4 501 B6R0.4 CC(C)NCCF 2230a_100138425928_100011217306 [0,1,0,0,0,0|1,0,2]=4 502 B6R0.4 CC(C)NCCF 34a_100000724931_100000210206 [0,1,0,0,0,0|1,0,2]=4 503 B6R0.4 CC(C)NCCF 34a_100138425928_100011217306 [0,1,0,0,0,0|1,0,2]=4 504 B6R0.4 CC(C)NCCO 2230a_100016997473_100000210206 [0,1,0,0,0,0|0,1,2]=4 505 B6R0.4 CC(C)NCCO 2230a_100138425928_100000211926 [0,1,0,0,0,0|0,1,2]=4 506 B6R0.4 CC(C)NCCO 34a_100016990907_100000210206 [0,1,0,0,0,0|0,1,2]=4 507 B6R0.4 CC(C)NCCO 34a_100138425928_100000211926 [0,1,0,0,0,0|0,1,2]=4 508 B6R0.4 CC(C)OCC=O 34a_100000212225_200009817547 [0,1,0,0,0,0|1,1,1]=4 509 B6R0.4 CC(C)OCCBr 34a_100000211926_100000210206 [0,1,0,0,0,0|1,0,2]=4 510 B6R0.4 CC(C)OCCF 34a_100000212225_100011217306 [0,1,0,0,0,0|1,0,2]=4 511 B6R0.4 CC(C)OCCN 34a_100000210304_100000210206 [0,1,0,0,0,0|1,0,2]=4 512 B6R0.4 CC(C)OCCO 34a_100000212225_100000211926 [0,1,0,0,0,0|0,1,2]=4 513 B6R0.4 CC(C)OCS[13CH3] 62a_100000709892_200025704644 [0,1,0,0,0,0|1,0,1]=3 514 B6R0.4 CC(C)OCS[13CH3] 62a_200025704644_100000709892 [0,1,0,0,0,0|1,0,1]=3 515 B6R0.4 CC(C)SCC#N 62a_100000210206_100011215382 [0,1,0,0,0,0|2,0,1]=4 516 B6R0.4 CC(C)SCC#N 62a_100011215382_100000210206 [0,1,0,0,0,0|2,0,1]=4 517 B6R0.4 CC(C)SCC=O 62a_100000210206_200015260668 [0,1,0,0,0,0|1,1,1]=4 518 B6R0.4 CC(C)SCC=O 62a_200015260668_100000210206 [0,1,0,0,0,0|1,1,1]=4 519 B6R0.4 CC(C)SCCF 62a_100000210206_100011217306 [0,1,0,0,0,0|1,0,2]=4 520 B6R0.4 CC(C)SCCF 62a_100011217306_100000210206 [0,1,0,0,0,0|1,0,2]=4 521 B6R0.4 CC(C)SCCO 62a_100000210206_100000211926 [0,1,0,0,0,0|0,1,2]=4 522 B6R0.4 CC(C)SCCO 62a_100000211926_100000210206 [0,1,0,0,0,0|0,1,2]=4 523 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [0,1,0,0,0,0|1,0,2]=4 524 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [0,1,0,0,0,0|1,0,2]=4 525 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [0,1,0,0,0,0|2,0,1]=4 526 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [0,1,0,0,0,0|2,0,1]=4 527 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [0,1,0,0,0,0|2,0,1]=4 528 B6R0.4 CC=CCN(C)C 2230a_100102631434_100000070051 [0,1,0,0,0,0|2,0,1]=4 529 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [0,1,0,0,0,0|2,0,1]=4 530 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [0,1,0,0,0,0|2,0,1]=4 531 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [0,1,0,0,0,0|2,0,0]=3 532 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [0,1,0,0,0,0|2,0,0]=3 533 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [0,1,0,0,0,0|2,0,1]=4 534 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [0,1,0,0,0,0|2,0,1]=4 535 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [0,1,0,0,0,0|2,0,1]=4 536 B6R0.4 CCCCN(C)C 2230a_100000207549_200000210301 [0,1,0,0,0,0|2,0,1]=4 537 B6R0.4 CCCCN(C)C 2230a_100102631434_100000210211 [0,1,0,0,0,0|2,0,1]=4 538 B6R0.4 CCCCN(C)C 269982a_100000207549_200000210301 [0,1,0,0,0,0|2,0,1]=4 539 B6R0.4 CCCCN(C)C 269982a_100102631434_100000210211 [0,1,0,0,0,0|2,0,1]=4 540 B6R0.4 CCCCN(C)[13CH3] 2230a_100000207549_200025704644 [0,1,0,0,0,0|2,0,1]=4 541 B6R0.4 CCCCN(C)[13CH3] 269982a_100000207549_200025704644 [0,1,0,0,0,0|2,0,1]=4 542 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [0,1,0,0,0,0|2,0,1]=4 543 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [0,1,0,0,0,0|2,0,1]=4 544 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [0,1,0,0,0,0|2,0,1]=4 545 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [0,1,0,0,0,0|2,0,1]=4 546 B6R0.4 CCCNC(C)C 2230a_100138425928_100000210303 [0,1,0,0,0,0|1,0,2]=4 547 B6R0.4 CCCNC(C)C 34a_100138425928_100000210303 [0,1,0,0,0,0|1,0,2]=4 548 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [0,1,0,0,0,0|1,0,2]=4 549 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [0,1,0,0,0,0|1,0,2]=4 550 B6R0.4 CCCSC(C)C 62a_100000210206_100000210303 [0,1,0,0,0,0|1,0,2]=4 551 B6R0.4 CCCSC(C)C 62a_100000210303_100000210206 [0,1,0,0,0,0|1,0,2]=4 552 B6R0.4 CCNCC(C)C 2230a_100000210953_100000210202 [0,1,0,0,0,0|1,0,2]=4 553 B6R0.4 CCNCC(C)C 2230a_100015525214_100000210760 [0,1,0,0,0,0|1,0,2]=4 554 B6R0.4 CCNCC(C)C 270004a_100015525214_100000210432 [0,1,0,0,0,0|1,0,2]=4 555 B6R0.4 CCNCC(C)C 34a_100000210953_100000210202 [0,1,0,0,0,0|1,0,2]=4 556 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [0,1,0,0,0,0|3,0,0]=4 557 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [0,1,0,0,0,0|2,0,1]=4 558 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [0,1,0,0,0,0|2,0,1]=4 559 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [0,1,0,0,0,0|2,0,1]=4 560 B6R0.4 CCOCC(C)C 34a_100000210257_100000210202 [0,1,0,0,0,0|1,0,2]=4 561 B6R0.4 CCOCC(C)C 34a_100121572206_100000210624 [0,1,0,0,0,0|1,0,2]=4 562 B6R0.4 CCOCN(C)C 269982a_100102631434_100000739092 [0,1,0,0,0,0|2,0,1]=4 563 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [0,1,0,0,0,0|2,0,1]=4 564 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [0,1,0,0,0,0|2,0,1]=4 565 B6R0.4 CCSCC(C)C 62a_100000210202_100000210760 [0,1,0,0,0,0|1,0,2]=4 566 B6R0.4 CCSCC(C)C 62a_100000210624_100000210202 [0,1,0,0,0,0|1,0,2]=4 567 B6R0.4 CN(C)CCC#N 2230a_100000184479_200000210301 [0,1,0,0,0,0|2,0,1]=4 568 B6R0.4 CN(C)CCC#N 2230a_100102631434_100011215226 [0,1,0,0,0,0|2,0,1]=4 569 B6R0.4 CN(C)CCC#N 269982a_100102631434_100011215226 [0,1,0,0,0,0|2,0,1]=4 570 B6R0.4 CN(C)CCCF 2230a_100102631434_100011934791 [0,1,0,0,0,0|2,0,1]=4 571 B6R0.4 CN(C)CCCF 269982a_100102631434_100011934791 [0,1,0,0,0,0|2,0,1]=4 572 B6R0.4 CN(C)CCCO 2230a_100000213112_200000210301 [0,1,0,0,0,0|1,1,1]=4 573 B6R0.4 CN(C)CCCO 2230a_100102631434_100000230001 [0,1,0,0,0,0|1,1,1]=4 574 B6R0.4 CN(C)CCCO 269982a_100000213112_200000210301 [0,1,0,0,0,0|1,1,1]=4 575 B6R0.4 CN(C)CCCO 269982a_100102631434_100011215043 [0,1,0,0,0,0|1,1,1]=4 576 B6R0.4 CN(C)CCS[13CH3] 62a_200025704644_100000755713 [0,1,0,0,0,0|1,0,1]=3 577 B6R0.4 CN([13CH3])CCC#N 2230a_100000184479_200025704644 [0,1,0,0,0,0|2,0,1]=4 578 B6R0.4 CN([13CH3])CCCO 2230a_100000213112_200025704644 [0,1,0,0,0,0|1,1,1]=4 579 B6R0.4 CN([13CH3])CCCO 269982a_100000213112_200025704644 [0,1,0,0,0,0|1,1,1]=4 580 B6R0.4 CNCC=C(C)C 2230a_106832991635_100000761012 [0,1,0,0,0,0|1,0,0]=2 581 B6R0.4 CNCC=C(C)C 34a_100000718196_200000210301 [0,1,0,0,0,0|1,0,0]=2 582 B6R0.4 CNCC=C(C)C 34a_100102657272_100000761012 [0,1,0,0,0,0|1,0,0]=2 583 B6R0.4 CNCC=C(C)C 7a_106832991635_100000761012 [0,1,0,0,0,0|1,0,0]=2 584 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [0,1,0,0,0,0|2,0,1]=4 585 B6R0.4 CNCCC(C)C 2230a_106832991635_100000210312 [0,1,0,0,0,0|1,0,2]=4 586 B6R0.4 CNCCC(C)C 269862a_106832991636_100000185833 [0,1,0,0,0,0|1,0,2]=4 587 B6R0.4 CNCCC(C)C 34a_100102657272_100000210312 [0,1,0,0,0,0|1,0,2]=4 588 B6R0.4 CNCCC(C)C 7a_106832991635_100000210626 [0,1,0,0,0,0|1,0,2]=4 589 B6R0.4 CNCCN(C)C 7a_106832991635_100000755713 [0,1,0,0,0,0|2,0,1]=4 590 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [0,1,0,0,0,0|3,0,0]=4 591 B6R0.4 CNCOC(C)C 2230a_106832991635_100000709892 [0,1,0,0,0,0|2,0,1]=4 592 B6R0.4 CNCOC(C)C 34a_100102657272_100000709892 [0,1,0,0,0,0|2,0,1]=4 593 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [0,1,0,0,0,0|1,1,1]=4 594 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [0,1,0,0,0,0|1,1,1]=4 595 B6R0.4 COCC=C(C)C 34a_100000753907_200000210301 [0,1,0,0,0,0|0,1,0]=2 596 B6R0.4 COCC=C(C)C 34a_100138415774_100000761012 [0,1,0,0,0,0|0,1,0]=2 597 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [0,1,0,0,0,0|1,1,1]=4 598 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [0,1,0,0,0,0|1,1,1]=4 599 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [0,1,0,0,0,0|1,1,1]=4 600 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [0,1,0,0,0,0|1,1,1]=4 601 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [0,1,0,0,0,0|1,1,1]=4 602 B6R0.4 COCCC(C)C 34a_100000210254_200000210301 [0,1,0,0,0,0|0,1,2]=4 603 B6R0.4 COCCC(C)C 34a_100138415774_100000210312 [0,1,0,0,0,0|0,1,2]=4 604 B6R0.4 COCCC(C)C 7a_100000210254_200000210301 [0,1,0,0,0,0|0,1,2]=4 605 B6R0.4 COCCN(C)C 2230a_100000743101_200000210301 [0,1,0,0,0,0|1,1,1]=4 606 B6R0.4 COCCN(C)C 2230a_100102631434_100011201679 [0,1,0,0,0,0|1,1,1]=4 607 B6R0.4 COCCN(C)C 269982a_100000743101_200000210301 [0,1,0,0,0,0|1,1,1]=4 608 B6R0.4 COCCN(C)C 269982a_100102631434_100000233755 [0,1,0,0,0,0|1,1,1]=4 609 B6R0.4 COCCN(C)[13CH3] 2230a_100000743101_200025704644 [0,1,0,0,0,0|1,1,1]=4 610 B6R0.4 COCCN(C)[13CH3] 269982a_100000743101_200025704644 [0,1,0,0,0,0|1,1,1]=4 611 B6R0.4 COCNC(C)C 2230a_100138425928_100000766300 [0,1,0,0,0,0|1,1,1]=4 612 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [0,1,0,0,0,0|2,1,0]=4 613 B6R0.4 COCOC(C)C 34a_100138415774_100000709892 [0,1,0,0,0,0|1,1,1]=4 614 B6R0.4 COCSC(C)C 62a_100000210206_100000766300 [0,1,0,0,0,0|1,1,1]=4 615 B6R0.4 COCSC(C)C 62a_100000766300_100000210206 [0,1,0,0,0,0|1,1,1]=4 616 B6R0.4 CSCC=C(C)C 62a_100000761012_200000210301 [0,1,0,0,0,0|0,0,0]=1 617 B6R0.4 CSCC=C(C)C 62a_200000210301_100000761012 [0,1,0,0,0,0|0,0,0]=1 618 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [0,1,0,0,0,0|1,0,1]=3 619 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [0,1,0,0,0,0|1,0,1]=3 620 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [0,1,0,0,0,0|1,0,1]=3 621 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [0,1,0,0,0,0|1,0,1]=3 622 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [0,1,0,0,0,0|2,0,1]=4 623 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [0,1,0,0,0,0|2,0,1]=4 624 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [0,1,0,0,0,0|1,0,1]=3 625 B6R0.4 CSCCC(C)C 62a_100000210312_200000210301 [0,1,0,0,0,0|0,0,2]=3 626 B6R0.4 CSCCC(C)C 62a_200000210301_100000210312 [0,1,0,0,0,0|0,0,2]=3 627 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [0,1,0,0,0,0|1,0,2]=4 628 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [0,1,0,0,0,0|1,0,2]=4 629 B6R0.4 CSCCN(C)C 2230a_100000686725_200000210301 [0,1,0,0,0,0|1,0,1]=3 630 B6R0.4 CSCCN(C)C 2230a_100102631434_100000751147 [0,1,0,0,0,0|1,0,1]=3 631 B6R0.4 CSCCN(C)C 269982a_100000686725_200000210301 [0,1,0,0,0,0|1,0,1]=3 632 B6R0.4 CSCCN(C)C 269982a_100102631434_100000212216 [0,1,0,0,0,0|1,0,1]=3 633 B6R0.4 CSCCN(C)C 62a_200000210301_100000755713 [0,1,0,0,0,0|1,0,1]=3 634 B6R0.4 CSCCN(C)[13CH3] 2230a_100000686725_200025704644 [0,1,0,0,0,0|1,0,1]=3 635 B6R0.4 CSCCN(C)[13CH3] 269982a_100000686725_200025704644 [0,1,0,0,0,0|1,0,1]=3 636 B6R0.4 CSCNC(C)C 2230a_100138425928_100011218213 [0,1,0,0,0,0|1,0,1]=3 637 B6R0.4 CSCNC(C)C 34a_100138425928_100011218213 [0,1,0,0,0,0|1,0,1]=3 638 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [0,1,0,0,0,0|2,0,0]=3 639 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [0,1,0,0,0,0|2,0,0]=3 640 B6R0.4 CSCOC(C)C 34a_100000212225_100011218213 [0,1,0,0,0,0|1,0,1]=3 641 B6R0.4 CSCOC(C)C 62a_100000709892_200000210301 [0,1,0,0,0,0|1,0,1]=3 642 B6R0.4 CSCOC(C)C 62a_200000210301_100000709892 [0,1,0,0,0,0|1,0,1]=3 643 B6R0.4 CSCSC(C)C 62a_100000210206_100011218213 [0,1,0,0,0,0|1,0,1]=3 644 B6R0.4 CSCSC(C)C 62a_100011218213_100000210206 [0,1,0,0,0,0|1,0,1]=3 645 B6R0.4 [13CH3]C(=O)C#CCO 1458a_100000049017_200025704644 [0,1,0,0,0,0|1,1,1]=4 646 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [0,1,0,0,0,0|2,0,1]=4 647 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [0,1,0,0,0,0|2,0,1]=4 648 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [0,1,0,0,0,0|2,0,1]=4 649 B6R0.5 CC(C)(C)OCF 34a_100015890283_100015361967 [0,1,0,0,0,0|2,0,1]=4 650 B6R0.5 CC(C)(C)OCF 7a_100015890283_100015361967 [0,1,0,0,0,0|2,0,1]=4 651 B6R0.5 CC(C)(C)SCF 62a_100000211941_100015361967 [0,1,0,0,0,0|2,0,1]=4 652 B6R0.5 CC(C)(C)SCF 62a_100015361967_100000211941 [0,1,0,0,0,0|2,0,1]=4 653 B6R0.5 CCNC(C)(C)C 2230a_100000715429_100000210202 [0,1,0,0,0,0|2,0,1]=4 654 B6R0.5 CCOC(C)(C)C 34a_100015890283_100000210202 [0,1,0,0,0,0|2,0,1]=4 655 B6R0.5 CCOC(C)(C)C 34a_100121572206_100000210625 [0,1,0,0,0,0|2,0,1]=4 656 B6R0.5 CCOC(C)(C)C 7a_100015890283_100000210202 [0,1,0,0,0,0|2,0,1]=4 657 B6R0.5 CCSC(C)(C)C 62a_100000210202_100000211941 [0,1,0,0,0,0|2,0,1]=4 658 B6R0.5 CCSC(C)(C)C 62a_100000211941_100000210202 [0,1,0,0,0,0|2,0,1]=4 659 B6R1.2 CN1CCCC1 2230a_100000188435_200000210301 [0,0,0,1,0,0|2,0,1]=4 660 B6R1.2 CN1CCCC1 269982a_100000188435_200000210301 [0,0,0,1,0,0|2,0,1]=4 661 B6R1.2 CN1CCSC1 2230a_100011215254_200000210301 [0,0,0,1,0,0|1,0,1]=3 662 B6R1.2 CN1CCSC1 269982a_100011215254_200000210301 [0,0,0,1,0,0|1,0,1]=3 663 B6R1.2 Oc1ccsc1 271570a_203496583355_100000738268 [0,0,0,1,0,0|1,0,2]=4 664 B6R1.2 Oc1ccsn1 271570a_203496583355_100009818082 [0,0,0,1,0,0|2,0,1]=4 665 B6R1.2 Oc1cnsc1 271570a_203496583355_100009815736 [0,0,0,1,0,0|2,0,1]=4 666 B6R1.2 [13CH3]N1CCCC1 2230a_100000188435_200025704644 [0,0,0,1,0,0|2,0,1]=4 667 B6R1.2 [13CH3]N1CCCC1 269982a_100000188435_200025704644 [0,0,0,1,0,0|2,0,1]=4 668 B6R1.2 [13CH3]N1CCSC1 2230a_100011215254_200025704644 [0,0,0,1,0,0|1,0,1]=3 669 B6R1.2 [13CH3]N1CCSC1 269982a_100011215254_200025704644 [0,0,0,1,0,0|1,0,1]=3 670 B6R1.3 CCNC1CC1 34a_100000212008_100000210202 [0,0,0,1,0,0|2,0,1]=4 671 B6R1.3 CCOC1CC1 34a_100121572206_100000211595 [0,0,0,1,0,0|2,0,1]=4 672 B6R1.3 CCSC1CC1 62a_100000210202_100000211595 [0,0,0,1,0,0|2,0,1]=4 673 B6R1.3 FCNC1CC1 34a_100000212008_100015361967 [0,0,0,1,0,0|2,0,1]=4 674 B6R1.3 FCSC1CC1 62a_100015361967_100000211595 [0,0,0,1,0,0|2,0,1]=4 675 B6R1.5 CC1CN(C1)C 2230a_100000702820_200000210301 [0,0,0,1,0,0|2,0,1]=4 676 B6R1.5 CC1CN(C1)C 269982a_100000702820_200000210301 [0,0,0,1,0,0|2,0,1]=4 677 B6R1.5 CC1CN(C1)C 34a_100000702820_200000210301 [0,0,0,1,0,0|2,0,1]=4 678 B6R1.5 CC1CN(C1)[13CH3] 2230a_100000702820_200025704644 [0,0,0,1,0,0|2,0,1]=4 679 B6R1.5 CC1CN(C1)[13CH3] 269982a_100000702820_200025704644 [0,0,0,1,0,0|2,0,1]=4 680 B6R1.5 CC1CN(C1)[13CH3] 34a_100000702820_200025704644 [0,0,0,1,0,0|2,0,1]=4 681 B6R1.5 CN1CC(C1)F 2230a_100000690557_200000210301 [0,0,0,1,0,0|2,0,1]=4 682 B6R1.5 CN1CC(C1)F 269982a_100000690557_200000210301 [0,0,0,1,0,0|2,0,1]=4 683 B6R1.5 CN1CC(C1)F 34a_100000690557_200000210301 [0,0,0,1,0,0|2,0,1]=4 684 B6R1.5 CN1CC(C1)O 269982a_100000749847_200000210301 [0,0,0,1,0,0|1,1,1]=4 685 B6R1.5 [13CH3]N1CC(C1)F 2230a_100000690557_200025704644 [0,0,0,1,0,0|2,0,1]=4 686 B6R1.5 [13CH3]N1CC(C1)F 269982a_100000690557_200025704644 [0,0,0,1,0,0|2,0,1]=4 687 B6R1.5 [13CH3]N1CC(C1)F 34a_100000690557_200025704644 [0,0,0,1,0,0|2,0,1]=4 688 B6R1.5 [13CH3]N1CC(C1)O 269982a_100000749847_200025704644 [0,0,0,1,0,0|1,1,1]=4 689 B6R1.11 CC(=O)C1CC1 1458a_100000210395_200000210301 [0,0,0,1,0,0|2,0,1]=4 690 B6R1.11 CC(=O)C1CO1 1458a_100000701028_200000210301 [0,0,0,1,0,0|1,1,1]=4 691 B6R1.11 CN(C)C1CC1 2230a_100000226674_200000210301 [0,0,0,1,0,0|2,0,1]=4 692 B6R1.11 CN(C)C1CC1 269982a_100000226674_200000210301 [0,0,0,1,0,0|2,0,1]=4 693 B6R1.11 CN(C)C1CC1 269982a_100102631434_100000211595 [0,0,0,1,0,0|2,0,1]=4 694 B6R1.11 CN([13CH3])C1CC1 2230a_100000226674_200025704644 [0,0,0,1,0,0|2,0,1]=4 695 B6R1.11 CN([13CH3])C1CC1 269982a_100000226674_200025704644 [0,0,0,1,0,0|2,0,1]=4 696 B6R1.11 [13CH3]C(=O)C1CC1 1458a_100000210395_200025704644 [0,0,0,1,0,0|2,0,1]=4 697 B6R1.11 [13CH3]C(=O)C1CO1 1458a_100000701028_200025704644 [0,0,0,1,0,0|1,1,1]=4 698 B3R0.1 CCNC 2230a_100015525214_200000210301 [2,0,0,0,0,0|1,0,1]=4 699 B3R0.1 CCNC 2230a_106832991635_100000210202 [2,0,0,0,0,0|1,0,1]=4 700 B3R0.1 CCNC 34a_100102657272_100000210202 [2,0,0,0,0,0|1,0,1]=4 701 B3R0.1 CCNC 7a_106832991635_100000210202 [2,0,0,0,0,0|1,0,1]=4 702 B3R0.1 CCN[13CH3] 2230a_100015525214_200025704644 [2,0,0,0,0,0|1,0,1]=4 703 B3R0.1 CCOC 34a_100121572206_200000210301 [2,0,0,0,0,0|1,0,1]=4 704 B3R0.1 CCOC 34a_100138415774_100000210202 [2,0,0,0,0,0|1,0,1]=4 705 B3R0.1 CCO[13CH3] 34a_100121572206_200025704644 [2,0,0,0,0,0|1,0,1]=4 706 B3R0.1 CCSC 62a_100000210202_200000210301 [2,0,0,0,0,0|1,0,1]=4 707 B3R0.1 CCSC 62a_200000210301_100000210202 [2,0,0,0,0,0|1,0,1]=4 708 B3R0.1 CCS[13CH3] 62a_100000210202_200025704644 [2,0,0,0,0,0|1,0,1]=4 709 B3R0.1 CCS[13CH3] 62a_200025704644_100000210202 [2,0,0,0,0,0|1,0,1]=4 710 B3R0.1 CNCF 34a_100102657272_100015361967 [2,0,0,0,0,0|2,0,0]=4 711 B3R0.1 CNCF 7a_106832991635_100015361967 [2,0,0,0,0,0|2,0,0]=4 712 B3R0.1 COCF 34a_100138415774_100015361967 [2,0,0,0,0,0|2,0,0]=4 713 B3R0.1 CSCF 62a_100015361967_200000210301 [2,0,0,0,0,0|2,0,0]=4 714 B3R0.1 CSCF 62a_200000210301_100015361967 [2,0,0,0,0,0|2,0,0]=4 715 B3R0.1 [13CH3]SCF 62a_100015361967_200025704644 [2,0,0,0,0,0|2,0,0]=4 716 B3R0.1 [13CH3]SCF 62a_200025704644_100015361967 [2,0,0,0,0,0|2,0,0]=4 717 B3R0.2 CC(=O)C 1458a_100000070787_200000210301 [2,0,0,0,0,0|0,1,0]=3 718 B3R0.2 CC(=O)[13CH3] 1458a_100000070787_200025704644 [2,0,0,0,0,0|0,1,0]=3 719 B3R0.2 CN(C)C 2230a_100102631434_200000210301 [2,0,0,0,0,0|1,0,0]=3 720 B3R0.2 CN(C)C 269982a_100102631434_200000210301 [2,0,0,0,0,0|1,0,0]=3 721 B3R0.2 CN(C)[13CH3] 2230a_100102631434_200025704644 [2,0,0,0,0,0|1,0,0]=3 722 B3R0.2 CN(C)[13CH3] 269982a_100102631434_200025704644 [2,0,0,0,0,0|1,0,0]=3 723 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [1,1,0,0,0,0|1,0,1]=4 724 B5R0.3 C=CC(=O)CF 1458a_100000185746_100015361967 [1,1,0,0,0,0|1,0,1]=4 725 B5R0.3 C=CC(=O)NC 1626a_100102657272_100000185746 [1,1,0,0,0,0|1,0,1]=4 726 B5R0.3 C=CC(=O)NC 240690a_100102657272_200121576911 [1,1,0,0,0,0|1,0,1]=4 727 B5R0.3 C=CC(C)OC 34a_100000695699_200000210301 [1,1,0,0,0,0|0,0,2]=4 728 B5R0.3 C=CC(C)O[13CH3] 34a_100000695699_200025704644 [1,1,0,0,0,0|0,0,2]=4 729 B5R0.3 C=CC(C)SC 62a_100011215867_200000210301 [1,1,0,0,0,0|0,0,2]=4 730 B5R0.3 C=CC(C)S[13CH3] 62a_100011215867_200025704644 [1,1,0,0,0,0|0,0,2]=4 731 B5R0.3 CC(CF)O[13CH3] 34a_100016041109_200025704644 [1,1,0,0,0,0|1,0,1]=4 732 B5R0.3 CC(CF)O[13CH3] 7a_100016041109_200025704644 [1,1,0,0,0,0|1,0,1]=4 733 B5R0.3 CC(CN)O[13CH3] 34a_100000210904_200025704644 [1,1,0,0,0,0|1,0,1]=4 734 B5R0.3 CC(CO)S[13CH3] 62a_100012180447_200025704644 [1,1,0,0,0,0|0,1,1]=4 735 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [1,1,0,0,0,0|1,0,1]=4 736 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [1,1,0,0,0,0|1,0,1]=4 737 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [1,1,0,0,0,0|1,0,1]=4 738 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [1,1,0,0,0,0|1,0,1]=4 739 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [1,1,0,0,0,0|1,0,1]=4 740 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [1,1,0,0,0,0|1,0,1]=4 741 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [1,1,0,0,0,0|1,0,1]=4 742 B5R0.3 CCC(C)NC 2230a_100000209981_200000210301 [1,1,0,0,0,0|0,0,2]=4 743 B5R0.3 CCC(C)NC 2230a_106832991635_100000758301 [1,1,0,0,0,0|0,0,2]=4 744 B5R0.3 CCC(C)NC 34a_100102657272_100011215416 [1,1,0,0,0,0|0,0,2]=4 745 B5R0.3 CCC(C)NC 7a_106832991635_100000758301 [1,1,0,0,0,0|0,0,2]=4 746 B5R0.3 CCC(C)N[13CH3] 2230a_100000209981_200025704644 [1,1,0,0,0,0|0,0,2]=4 747 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [1,1,0,0,0,0|0,0,2]=4 748 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [1,1,0,0,0,0|0,0,2]=4 749 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [1,1,0,0,0,0|0,0,2]=4 750 B5R0.3 CCC(C)SC 62a_100000758301_200000210301 [1,1,0,0,0,0|0,0,2]=4 751 B5R0.3 CCC(C)SC 62a_200000210301_100000758301 [1,1,0,0,0,0|0,0,2]=4 752 B5R0.3 CCC(C)S[13CH3] 62a_100000758301_200025704644 [1,1,0,0,0,0|0,0,2]=4 753 B5R0.3 CCC(C)S[13CH3] 62a_200025704644_100000758301 [1,1,0,0,0,0|0,0,2]=4 754 B5R0.3 CCN(C)CC 2230a_100000225621_100000210202 [1,1,0,0,0,0|1,0,1]=4 755 B5R0.3 CCN(C)CC 2230a_100000724800_200000210301 [1,1,0,0,0,0|1,0,1]=4 756 B5R0.3 CCN(C)CC 269956a_100000042499_200000210301 [1,1,0,0,0,0|1,0,1]=4 757 B5R0.3 CCN(C)CC 269982a_100000225621_100000204670 [1,1,0,0,0,0|1,0,1]=4 758 B5R0.3 CCN(C)CC 269982a_100000724800_200000210301 [1,1,0,0,0,0|1,0,1]=4 759 B5R0.3 CCN(C)CF 269982a_100000225621_100015361967 [1,1,0,0,0,0|1,0,1]=4 760 B5R0.3 CCN([13CH3])CC 2230a_100000724800_200025704644 [1,1,0,0,0,0|1,0,1]=4 761 B5R0.3 CCN([13CH3])CC 269956a_100000042499_200025704644 [1,1,0,0,0,0|1,0,1]=4 762 B5R0.3 CCN([13CH3])CC 269982a_100000724800_200025704644 [1,1,0,0,0,0|1,0,1]=4 763 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [1,1,0,0,0,0|1,1,0]=4 764 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [1,1,0,0,0,0|1,1,0]=4 765 B5R0.3 CNC(=O)NC 2708a_100102657272_106832991635 [1,1,0,0,0,0|2,0,0]=4 766 B5R0.3 CNC(=O)NC 273464a_100102657272_100102657272 [1,1,0,0,0,0|2,0,0]=4 767 B5R0.3 CNC(=O)NC 512a_106832991638_100102657272 [1,1,0,0,0,0|2,0,0]=4 768 B5R0.3 CNC(C)CO 2230a_106832991635_100012180447 [1,1,0,0,0,0|0,1,1]=4 769 B5R0.3 CNC(C)CO 34a_100102657272_100012180447 [1,1,0,0,0,0|0,1,1]=4 770 B5R0.3 CNC(C)CO 7a_106832991635_100012180447 [1,1,0,0,0,0|0,1,1]=4 771 B5R0.3 CN[C@H](C)CO 2230a_100000737577_200000210301 [1,1,0,0,0,0|0,1,1]=4 772 B5R0.3 COC(C)CF 34a_100016041109_200000210301 [1,1,0,0,0,0|1,0,1]=4 773 B5R0.3 COC(C)CF 7a_100016041109_200000210301 [1,1,0,0,0,0|1,0,1]=4 774 B5R0.3 COC(C)CN 34a_100000210904_200000210301 [1,1,0,0,0,0|1,0,1]=4 775 B5R0.3 COC(C)CO 34a_100138415774_100012180447 [1,1,0,0,0,0|0,1,1]=4 776 B5R0.3 COC(C)SC 62a_100009879195_200000210301 [1,1,0,0,0,0|1,0,1]=4 777 B5R0.3 COC(C)SC 62a_200000210301_100009879195 [1,1,0,0,0,0|1,0,1]=4 778 B5R0.3 COC(C)S[13CH3] 62a_100009879195_200025704644 [1,1,0,0,0,0|1,0,1]=4 779 B5R0.3 COC(C)S[13CH3] 62a_200025704644_100009879195 [1,1,0,0,0,0|1,0,1]=4 780 B5R0.3 CSC(C)CO 62a_100012180447_200000210301 [1,1,0,0,0,0|0,1,1]=4 781 B5R0.3 CS[C@H](C)CO 62a_100016084084_200000210301 [1,1,0,0,0,0|0,1,1]=4 782 B5R0.3 CS[C@H](C)CO 62a_200000210301_100016084084 [1,1,0,0,0,0|0,1,1]=4 783 B5R0.3 C[C@H](CO)N[13CH3] 2230a_100000737577_200025704644 [1,1,0,0,0,0|0,1,1]=4 784 B5R0.3 C[C@H](CO)S[13CH3] 62a_100016084084_200025704644 [1,1,0,0,0,0|0,1,1]=4 785 B5R0.3 C[C@H](CO)S[13CH3] 62a_200025704644_100016084084 [1,1,0,0,0,0|0,1,1]=4 786 B5R0.3 O=C(CO)CF 1458a_100000210174_100015361967 [1,1,0,0,0,0|1,1,0]=4 787 B5R0.4 CC(C)(C)N[13CH3] 2230a_100000715429_200025704644 [1,1,0,0,0,0|1,0,1]=4 788 B5R0.4 CC(C)(C)O[13CH3] 34a_100015890283_200025704644 [1,1,0,0,0,0|1,0,1]=4 789 B5R0.4 CC(C)(C)O[13CH3] 7a_100015890283_200025704644 [1,1,0,0,0,0|1,0,1]=4 790 B5R0.4 CC(C)(C)S[13CH3] 62a_100000211941_200025704644 [1,1,0,0,0,0|1,0,1]=4 791 B5R0.4 CC(C)(C)S[13CH3] 62a_200025704644_100000211941 [1,1,0,0,0,0|1,0,1]=4 792 B5R0.4 CNC(C)(C)C 2230a_100000715429_200000210301 [1,1,0,0,0,0|1,0,1]=4 793 B5R0.4 CNC(C)(C)C 34a_100102657272_100000210625 [1,1,0,0,0,0|1,0,1]=4 794 B5R0.4 COC(C)(C)C 34a_100015890283_200000210301 [1,1,0,0,0,0|1,0,1]=4 795 B5R0.4 COC(C)(C)C 34a_100138415774_100000210625 [1,1,0,0,0,0|1,0,1]=4 796 B5R0.4 COC(C)(C)C 7a_100015890283_200000210301 [1,1,0,0,0,0|1,0,1]=4 797 B5R0.4 CSC(C)(C)C 62a_100000211941_200000210301 [1,1,0,0,0,0|1,0,1]=4 798 B5R0.4 CSC(C)(C)C 62a_200000210301_100000211941 [1,1,0,0,0,0|1,0,1]=4 799 B5R0.5 C=C(C)C(=O)C 1458a_100000185857_200000210301 [1,1,0,0,0,0|0,0,1]=3 800 B5R0.5 C=C(C)C(=O)[13CH3] 1458a_100000185857_200025704644 [1,1,0,0,0,0|0,0,1]=3 801 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [1,1,0,0,0,0|0,0,1]=3 802 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [1,1,0,0,0,0|0,0,1]=3 803 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [1,1,0,0,0,0|1,0,1]=4 804 B5R0.5 CC(=O)C(O)O 1458a_100000233687_200000210301 [1,1,0,0,0,0|1,1,0]=4 805 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [1,1,0,0,0,0|1,0,0]=3 806 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [1,1,0,0,0,0|1,0,0]=3 807 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [1,1,0,0,0,0|1,0,0]=3 808 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [1,1,0,0,0,0|1,0,0]=3 809 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [1,1,0,0,0,0|1,0,1]=4 810 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [1,1,0,0,0,0|1,0,1]=4 811 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [1,1,0,0,0,0|0,0,1]=3 812 B5R0.5 CC(C)N(C)C 2230a_100102631434_100000210206 [1,1,0,0,0,0|1,0,1]=4 813 B5R0.5 CC(C)N(C)C 269982a_100102631434_100000210206 [1,1,0,0,0,0|1,0,1]=4 814 B5R0.5 CC(C)N(C)C 269982a_200000211004_200000210301 [1,1,0,0,0,0|1,0,1]=4 815 B5R0.5 CC(C)N(C)[13CH3] 269982a_200000211004_200025704644 [1,1,0,0,0,0|1,0,1]=4 816 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [1,1,0,0,0,0|1,0,1]=4 817 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [1,1,0,0,0,0|1,0,1]=4 818 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [1,1,0,0,0,0|1,0,1]=4 819 B5R0.5 [13CH3]C(=O)C(O)O 1458a_100000233687_200025704644 [1,1,0,0,0,0|1,1,0]=4 820 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [1,1,0,0,0,0|1,0,0]=3 821 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [1,1,0,0,0,0|1,0,0]=3 822 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [1,1,0,0,0,0|0,1,0]=3 823 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [1,1,0,0,0,0|0,1,0]=3 824 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [1,1,0,0,0,0|0,1,0]=3 825 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [1,1,0,0,0,0|0,0,0]=2 826 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [1,1,0,0,0,0|0,0,0]=2 827 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [1,1,0,0,0,0|0,0,0]=2 828 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [1,1,0,0,0,0|0,0,0]=2 829 B5R0.2 C=CCCSC 62a_100000754431_200000210301 [1,1,0,0,0,0|0,0,2]=4 830 B5R0.2 C=CCCSC 62a_200000210301_100000754431 [1,1,0,0,0,0|0,0,2]=4 831 B5R0.2 C=CCCS[13CH3] 62a_100000754431_200025704644 [1,1,0,0,0,0|0,0,2]=4 832 B5R0.2 C=CCCS[13CH3] 62a_200025704644_100000754431 [1,1,0,0,0,0|0,0,2]=4 833 B5R0.2 CC#CCSC 62a_100000748600_200000210301 [1,1,0,0,0,0|0,0,2]=4 834 B5R0.2 CC#CCSC 62a_200000210301_100000748600 [1,1,0,0,0,0|0,0,2]=4 835 B5R0.2 CC#CCS[13CH3] 62a_100000748600_200025704644 [1,1,0,0,0,0|0,0,2]=4 836 B5R0.2 CC#CCS[13CH3] 62a_200025704644_100000748600 [1,1,0,0,0,0|0,0,2]=4 837 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [1,1,0,0,0,0|1,0,0]=3 838 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [1,1,0,0,0,0|1,0,0]=3 839 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [1,1,0,0,0,0|1,0,0]=3 840 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [1,1,0,0,0,0|0,1,0]=3 841 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [1,1,0,0,0,0|0,0,0]=2 842 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [1,1,0,0,0,0|0,0,0]=2 843 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [1,1,0,0,0,0|0,0,0]=2 844 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [1,1,0,0,0,0|0,0,0]=2 845 B5R0.2 CC=NNCC 4a_100000756455_200000210099 [1,1,0,0,0,0|2,0,0]=4 846 B5R0.2 CCCCSC 62a_100000210211_200000210301 [1,1,0,0,0,0|0,0,2]=4 847 B5R0.2 CCCCSC 62a_200000210301_100000210210 [1,1,0,0,0,0|0,0,2]=4 848 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [1,1,0,0,0,0|0,0,2]=4 849 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [1,1,0,0,0,0|0,0,2]=4 850 B5R0.2 CCNCSC 2230a_100015525214_100011218213 [1,1,0,0,0,0|1,0,1]=4 851 B5R0.2 CCOCSC 34a_100121572206_100011218213 [1,1,0,0,0,0|1,0,1]=4 852 B5R0.2 CCOCSC 62a_100000739092_200000210301 [1,1,0,0,0,0|1,0,1]=4 853 B5R0.2 CCOCSC 62a_200000210301_100000739092 [1,1,0,0,0,0|1,0,1]=4 854 B5R0.2 CCOCS[13CH3] 62a_100000739092_200025704644 [1,1,0,0,0,0|1,0,1]=4 855 B5R0.2 CCOCS[13CH3] 62a_200025704644_100000739092 [1,1,0,0,0,0|1,0,1]=4 856 B5R0.2 CCSCSC 62a_100000210202_100011218213 [1,1,0,0,0,0|1,0,1]=4 857 B5R0.2 CCSCSC 62a_100011218213_100000210202 [1,1,0,0,0,0|1,0,1]=4 858 B5R0.2 CNCCSC 2230a_100020590264_200000210301 [1,1,0,0,0,0|1,0,1]=4 859 B5R0.2 CNCCSC 2230a_106832991635_100000751147 [1,1,0,0,0,0|1,0,1]=4 860 B5R0.2 CNCCSC 34a_100102657272_100000212216 [1,1,0,0,0,0|1,0,1]=4 861 B5R0.2 CNCCSC 7a_106832991635_100000212216 [1,1,0,0,0,0|1,0,1]=4 862 B5R0.2 COCCSC 34a_100000230434_200000210301 [1,1,0,0,0,0|1,0,1]=4 863 B5R0.2 COCCSC 34a_100138415774_100000212216 [1,1,0,0,0,0|1,0,1]=4 864 B5R0.2 COCCSC 62a_100000233755_200000210301 [1,1,0,0,0,0|1,0,1]=4 865 B5R0.2 COCCSC 62a_200000210301_100000233755 [1,1,0,0,0,0|1,0,1]=4 866 B5R0.2 COCCSC 7a_100000230434_200000210301 [1,1,0,0,0,0|1,0,1]=4 867 B5R0.2 COCCS[13CH3] 62a_100000233755_200025704644 [1,1,0,0,0,0|1,0,1]=4 868 B5R0.2 COCCS[13CH3] 62a_200025704644_100000233755 [1,1,0,0,0,0|1,0,1]=4 869 B5R0.2 CSCCN[13CH3] 2230a_100020590264_200025704644 [1,1,0,0,0,0|1,0,1]=4 870 B5R0.2 CSCCO[13CH3] 34a_100000230434_200025704644 [1,1,0,0,0,0|1,0,1]=4 871 B5R0.2 CSCCO[13CH3] 7a_100000230434_200025704644 [1,1,0,0,0,0|1,0,1]=4 872 B5R0.2 CSCCSC 62a_100000212216_200000210301 [1,1,0,0,0,0|1,0,1]=4 873 B5R0.2 CSCCSC 62a_200000210301_100000751147 [1,1,0,0,0,0|1,0,1]=4 874 B5R0.2 CSCCS[13CH3] 62a_100000212216_200025704644 [1,1,0,0,0,0|1,0,1]=4 875 B5R0.2 CSCCS[13CH3] 62a_200025704644_100000751147 [1,1,0,0,0,0|1,0,1]=4 876 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [0,2,0,0,0,0|1,0,1]=4 877 B7R0.2 C=C(C)CC(=O)CO 1458a_100000210174_100000748629 [0,2,0,0,0,0|0,1,1]=4 878 B7R0.2 CC(=CC(=O)CF)C 1458a_100000211388_100015361967 [0,2,0,0,0,0|1,0,0]=3 879 B7R0.2 CC(=CC(=O)CF)Cl 1458a_200042562850_100015361967 [0,2,0,0,0,0|2,0,0]=4 880 B7R0.2 CC(=CC(=O)CF)I 1458a_100025716642_100015361967 [0,2,0,0,0,0|2,0,0]=4 881 B7R0.2 CC(=CC(C)O[13CH3])C 34a_100000717055_200025704644 [0,2,0,0,0,0|0,1,0]=3 882 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_100009818208_200025704644 [0,2,0,0,0,0|2,0,0]=4 883 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_200025704644_100009818208 [0,2,0,0,0,0|2,0,0]=4 884 B7R0.2 CC(C)CC(=O)CF 1458a_100000210554_100015361967 [0,2,0,0,0,0|1,0,1]=4 885 B7R0.2 CC(C)CC(=O)CO 1458a_100000210174_100000210624 [0,2,0,0,0,0|0,1,1]=4 886 B7R0.2 CC(C)CC(C)S[13CH3] 62a_100000731052_200025704644 [0,2,0,0,0,0|0,0,2]=4 887 B7R0.2 CC(C)CC(C)S[13CH3] 62a_200025704644_100000731052 [0,2,0,0,0,0|0,0,2]=4 888 B7R0.2 CC(C)NC(=O)CO 240690a_100138425928_100000210174 [0,2,0,0,0,0|0,1,1]=4 889 B7R0.2 CC(C)NC(=O)CO 527a_100138425928_100000210174 [0,2,0,0,0,0|0,1,1]=4 890 B7R0.2 CC(CN(C)C)S[13CH3] 62a_100020606517_200025704644 [0,2,0,0,0,0|1,0,1]=4 891 B7R0.2 CC(CN(C)C)S[13CH3] 62a_200025704644_100020606517 [0,2,0,0,0,0|1,0,1]=4 892 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [0,2,0,0,0,0|0,1,1]=4 893 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [0,2,0,0,0,0|0,1,1]=4 894 B7R0.2 CCC(=O)C=C(C)C 1458a_100000211388_100000210202 [0,2,0,0,0,0|1,0,0]=3 895 B7R0.2 CCC(=O)C=C(C)Cl 1458a_200042562850_100000210202 [0,2,0,0,0,0|2,0,0]=4 896 B7R0.2 CCC(=O)C=C(C)I 1458a_100025716642_100000210202 [0,2,0,0,0,0|2,0,0]=4 897 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [0,2,0,0,0,0|2,0,0]=4 898 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [0,2,0,0,0,0|1,0,1]=4 899 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [0,2,0,0,0,0|1,0,1]=4 900 B7R0.2 CCC(=O)CN(C)C 1458a_100000750896_100000210202 [0,2,0,0,0,0|2,0,0]=4 901 B7R0.2 CCC(=O)CN(C)C 269982a_100102631434_100000747405 [0,2,0,0,0,0|2,0,0]=4 902 B7R0.2 CCC(=O)C[S+](C)C 1458a_200159257847_100000210202 [0,2,0,0,0,0|2,0,0]=4 903 B7R0.2 CCC(=O)NC(C)C 11a_100138425928_100000210414 [0,2,0,0,0,0|1,0,1]=4 904 B7R0.2 CCC(=O)NC(C)C 1626a_100138425928_100000210414 [0,2,0,0,0,0|1,0,1]=4 905 B7R0.2 CCC(=O)NC(C)C 240690a_100138425928_100000210414 [0,2,0,0,0,0|1,0,1]=4 906 B7R0.2 CCC(=O)NC(C)C 527a_100138425928_100000210414 [0,2,0,0,0,0|1,0,1]=4 907 B7R0.2 CN(C)CC(=O)CF 1458a_100000750896_100015361967 [0,2,0,0,0,0|2,0,0]=4 908 B7R0.2 CNC(=O)C=C(C)C 11a_106832991635_100000211388 [0,2,0,0,0,0|0,1,1]=4 909 B7R0.2 CNC(=O)C=C(C)C 1626a_100102657272_100000211388 [0,2,0,0,0,0|0,1,1]=4 910 B7R0.2 CNC(=O)C=C(C)C 240690a_100102657272_100000211388 [0,2,0,0,0,0|0,1,1]=4 911 B7R0.2 COC(C)C=C(C)C 34a_100000717055_200000210301 [0,2,0,0,0,0|0,1,0]=3 912 B7R0.2 CSC(C)CC(C)C 62a_100000731052_200000210301 [0,2,0,0,0,0|0,0,2]=4 913 B7R0.2 CSC(C)CC(C)C 62a_200000210301_100000731052 [0,2,0,0,0,0|0,0,2]=4 914 B7R0.2 CSC(C)CN(C)C 62a_100020606517_200000210301 [0,2,0,0,0,0|1,0,1]=4 915 B7R0.2 CSC(C)CN(C)C 62a_200000210301_100020606517 [0,2,0,0,0,0|1,0,1]=4 916 B7R0.2 CSC(C)OC(=O)C 62a_100009818208_200000210301 [0,2,0,0,0,0|2,0,0]=4 917 B7R0.2 CSC(C)OC(=O)C 62a_200000210301_100009818208 [0,2,0,0,0,0|2,0,0]=4 918 B7R0.2 C[S+](C)CC(=O)CF 1458a_200159257847_100015361967 [0,2,0,0,0,0|2,0,0]=4 919 B7R0.3 C#C/C(=C\COC)/C 34a_100016990848_200000210301 [0,2,0,0,0,0|0,1,1]=4 920 B7R0.3 C#C/C(=C\CO[13CH3])/C 34a_100016990848_200025704644 [0,2,0,0,0,0|0,1,1]=4 921 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [0,2,0,0,0,0|1,0,1]=4 922 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [0,2,0,0,0,0|1,0,1]=4 923 B7R0.3 CCC(C)NCSC 2230a_100000209981_100011218213 [0,2,0,0,0,0|1,0,1]=4 924 B7R0.3 CCC(C)SCSC 62a_100000758301_100011218213 [0,2,0,0,0,0|1,0,1]=4 925 B7R0.3 CCC(C)SCSC 62a_100011218213_100000758301 [0,2,0,0,0,0|1,0,1]=4 926 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [0,2,0,0,0,0|2,0,0]=4 927 B7R0.3 CCC=CC(=O)CF 1458a_100000212282_100015361967 [0,2,0,0,0,0|2,0,0]=4 928 B7R0.3 CCC=CC(=O)NC 11a_106832991635_100000212282 [0,2,0,0,0,0|2,0,0]=4 929 B7R0.3 CCC=CC(=O)NC 1626a_100102657272_100000212282 [0,2,0,0,0,0|2,0,0]=4 930 B7R0.3 CCC=CC(=O)NC 240690a_100102657272_100000212282 [0,2,0,0,0,0|2,0,0]=4 931 B7R0.3 CCN(C)CCSC 2230a_100000225621_100000751147 [0,2,0,0,0,0|1,0,1]=4 932 B7R0.3 CCN(C)CCSC 2230a_100000686725_100000210202 [0,2,0,0,0,0|1,0,1]=4 933 B7R0.3 CCN(C)CCSC 269982a_100000225621_100000212216 [0,2,0,0,0,0|1,0,1]=4 934 B7R0.3 CCN(C)CCSC 269982a_100000686725_100000204670 [0,2,0,0,0,0|1,0,1]=4 935 B7R0.3 CCNN=C(C)CF 4a_100000756455_100000039719 [0,2,0,0,0,0|2,0,0]=4 936 B7R0.3 CCNN=C(C)CO 4a_100000756455_100000211253 [0,2,0,0,0,0|2,0,0]=4 937 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [0,2,0,0,0,0|1,0,1]=4 938 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [0,2,0,0,0,0|1,0,1]=4 939 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [0,2,0,0,0,0|1,0,1]=4 940 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [0,2,0,0,0,0|1,0,1]=4 941 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [0,2,0,0,0,0|1,0,1]=4 942 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [0,2,0,0,0,0|1,0,1]=4 943 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [0,2,0,0,0,0|1,0,1]=4 944 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [0,2,0,0,0,0|1,0,1]=4 945 B7R0.3 CNC(C)CCSC 270004a_106832991635_100011217047 [0,2,0,0,0,0|0,0,2]=4 946 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [0,2,0,0,0,0|1,0,1]=4 947 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [0,2,0,0,0,0|1,0,1]=4 948 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [0,2,0,0,0,0|1,0,1]=4 949 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [0,2,0,0,0,0|1,0,1]=4 950 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [0,2,0,0,0,0|2,0,0]=4 951 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [0,2,0,0,0,0|2,0,0]=4 952 B7R0.3 COC(C)SCSC 62a_100009879195_100011218213 [0,2,0,0,0,0|1,0,1]=4 953 B7R0.3 COC(C)SCSC 62a_100011218213_100009879195 [0,2,0,0,0,0|1,0,1]=4 954 B7R0.3 CSCCC(=O)CF 1458a_100000174002_100015361967 [0,2,0,0,0,0|1,0,1]=4 955 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [0,2,0,0,0,0|1,0,1]=4 956 B7R0.3 CSCCN(C)CF 269982a_100000686725_100015361967 [0,2,0,0,0,0|1,0,1]=4 957 B7R0.3 CSCN[C@H](C)CO 2230a_100000737577_100011218213 [0,2,0,0,0,0|1,0,1]=4 958 B7R0.3 CSCOC(C)CF 34a_100016041109_100011218213 [0,2,0,0,0,0|1,0,1]=4 959 B7R0.3 CSCOC(C)CN 34a_100000210904_100011218213 [0,2,0,0,0,0|1,0,1]=4 960 B7R0.3 CSCSC(C)CO 62a_100012180447_100011218213 [0,2,0,0,0,0|1,0,1]=4 961 B7R0.3 CSCS[C@H](C)CO 62a_100011218213_100016084084 [0,2,0,0,0,0|1,0,1]=4 962 B7R0.3 CSCS[C@H](C)CO 62a_100016084084_100011218213 [0,2,0,0,0,0|1,0,1]=4 963 B7R0.5 C#CCC(=O)C(=C)C 1458a_100000185857_100000184674 [0,2,0,0,0,0|1,0,1]=4 964 B7R0.5 C#CCC(=O)C(C)C 1458a_100000210198_100000184674 [0,2,0,0,0,0|1,0,1]=4 965 B7R0.5 C#CCC(=O)C(C)C 1458a_100011220946_100000210206 [0,2,0,0,0,0|1,0,1]=4 966 B7R0.5 C#CCC(=O)N(C)C 1626a_100102631434_100011220946 [0,2,0,0,0,0|2,0,0]=4 967 B7R0.5 C#CCC(=O)N(C)C 527a_100102631434_100011220946 [0,2,0,0,0,0|2,0,0]=4 968 B7R0.5 C=C(C)C(=O)CC#N 1458a_100000185857_100011214920 [0,2,0,0,0,0|1,0,1]=4 969 B7R0.5 C=C(C)C(=O)CCC 1458a_100000185857_100000210303 [0,2,0,0,0,0|1,0,1]=4 970 B7R0.5 C=C(C)C(=O)CCF 1458a_100000185857_100011217306 [0,2,0,0,0,0|1,0,1]=4 971 B7R0.5 C=C(C)C(=O)CCO 1458a_100000185857_100000211926 [0,2,0,0,0,0|0,1,1]=4 972 B7R0.5 C=C(C)C(=O)NCC 11a_100015525214_100000185857 [0,2,0,0,0,0|1,0,1]=4 973 B7R0.5 C=CCC(=O)C(=C)C 1458a_100000185857_100000210623 [0,2,0,0,0,0|1,0,1]=4 974 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210193_100000210206 [0,2,0,0,0,0|1,0,1]=4 975 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210198_100000210623 [0,2,0,0,0,0|1,0,1]=4 976 B7R0.5 C=CCC(=O)N(C)C 11a_100102631434_100000210193 [0,2,0,0,0,0|2,0,0]=4 977 B7R0.5 C=CCC(=O)N(C)C 1626a_100102631434_100000210193 [0,2,0,0,0,0|2,0,0]=4 978 B7R0.5 C=CCC(=O)N(C)C 240690a_100102631434_100000210193 [0,2,0,0,0,0|2,0,0]=4 979 B7R0.5 C=CCC(=O)N(C)C 527a_100102631434_100000210193 [0,2,0,0,0,0|2,0,0]=4 980 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_100011261029_200025704644 [0,2,0,0,0,0|1,0,0]=3 981 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_200025704644_100011261029 [0,2,0,0,0,0|1,0,0]=3 982 B7R0.5 CC(C)C(=O)CC#N 1458a_100000210198_100011214920 [0,2,0,0,0,0|1,0,1]=4 983 B7R0.5 CC(C)C(=O)CC#N 1458a_100051588842_100000210206 [0,2,0,0,0,0|1,0,1]=4 984 B7R0.5 CC(C)C(=O)CCF 1458a_100000210198_100011217306 [0,2,0,0,0,0|1,0,1]=4 985 B7R0.5 CC(C)C(=O)CCO 1458a_100000210198_100000211926 [0,2,0,0,0,0|0,1,1]=4 986 B7R0.5 CC(C)C(=O)CCO 1458a_100011216618_100000210206 [0,2,0,0,0,0|0,1,1]=4 987 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_100000753385_200025704644 [0,2,0,0,0,0|0,0,1]=3 988 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_200025704644_100000753385 [0,2,0,0,0,0|0,0,1]=3 989 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [0,2,0,0,0,0|1,0,0]=3 990 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [0,2,0,0,0,0|1,0,0]=3 991 B7R0.5 CCCC(=O)C(C)C 1458a_100000210198_100000210303 [0,2,0,0,0,0|1,0,1]=4 992 B7R0.5 CCCC(=O)C(C)C 1458a_100000211992_100000210206 [0,2,0,0,0,0|1,0,1]=4 993 B7R0.5 CCCC(=O)N(C)C 11a_100102631434_100000211992 [0,2,0,0,0,0|2,0,0]=4 994 B7R0.5 CCCC(=O)N(C)C 1626a_100102631434_100000211992 [0,2,0,0,0,0|2,0,0]=4 995 B7R0.5 CCCC(=O)N(C)C 240690a_100102631434_100000211992 [0,2,0,0,0,0|2,0,0]=4 996 B7R0.5 CCCC(=O)N(C)C 527a_100102631434_100000211992 [0,2,0,0,0,0|2,0,0]=4 997 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [0,2,0,0,0,0|2,0,0]=4 998 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [0,2,0,0,0,0|2,0,0]=4 999 B7R0.5 CCNC(=O)C(C)C 11a_100015525214_100000210198 [0,2,0,0,0,0|1,0,1]=4 1000 B7R0.5 CCNC(=O)C(C)C 240690a_100015525214_100000210198 [0,2,0,0,0,0|1,0,1]=4 1001 B7R0.5 CCNC(=O)C(C)C 527a_100015525214_100000210198 [0,2,0,0,0,0|1,0,1]=4 1002 B7R0.5 CCNC(=O)N(C)C 2708a_100015525214_100102631434 [0,2,0,0,0,0|2,0,0]=4 1003 B7R0.5 CN(C)C(=O)CC#N 1626a_100102631434_100051588842 [0,2,0,0,0,0|2,0,0]=4 1004 B7R0.5 CN(C)C(=O)CC#N 240690a_100102631434_100051588842 [0,2,0,0,0,0|2,0,0]=4 1005 B7R0.5 CN(C)C(=O)CCO 240690a_100102631434_100011216618 [0,2,0,0,0,0|1,1,0]=4 1006 B7R0.5 CN(C)C(=O)CN[13CH3] 2230a_100015183351_200025704644 [0,2,0,0,0,0|2,0,0]=4 1007 B7R0.5 CN(C)C(=O)CS[13CH3] 62a_100000692301_200025704644 [0,2,0,0,0,0|1,0,0]=3 1008 B7R0.5 CN(C)C(=O)CS[13CH3] 62a_200025704644_100000692301 [0,2,0,0,0,0|1,0,0]=3 1009 B7R0.5 CNCC(=O)C(=O)C 34a_100102657272_100011261029 [0,2,0,0,0,0|2,0,0]=4 1010 B7R0.5 CNCC(=O)C(C)C 2230a_106832991635_100000753385 [0,2,0,0,0,0|1,0,1]=4 1011 B7R0.5 CNCC(=O)C(C)C 34a_100102657272_100000753385 [0,2,0,0,0,0|1,0,1]=4 1012 B7R0.5 CNCC(=O)C(C)C 7a_106832991635_100000753385 [0,2,0,0,0,0|1,0,1]=4 1013 B7R0.5 CNCC(=O)N(C)C 2230a_100015183351_200000210301 [0,2,0,0,0,0|2,0,0]=4 1014 B7R0.5 CNCC(=O)N(C)C 2230a_106832991635_100000185267 [0,2,0,0,0,0|2,0,0]=4 1015 B7R0.5 CNCC(=O)N(C)C 34a_100102657272_100000692301 [0,2,0,0,0,0|2,0,0]=4 1016 B7R0.5 CNCC(=O)N(C)C 7a_106832991635_100000692301 [0,2,0,0,0,0|2,0,0]=4 1017 B7R0.5 COCC(=O)C(=O)C 34a_100138415774_100011261029 [0,2,0,0,0,0|1,1,0]=4 1018 B7R0.5 COCC(=O)C(C)C 1458a_100000210968_100000210206 [0,2,0,0,0,0|0,1,1]=4 1019 B7R0.5 COCC(=O)C(C)C 34a_100138415774_100000753385 [0,2,0,0,0,0|0,1,1]=4 1020 B7R0.5 COCC(=O)N(C)C 11a_100102631434_100000210968 [0,2,0,0,0,0|1,1,0]=4 1021 B7R0.5 COCC(=O)N(C)C 1626a_100102631434_100000210968 [0,2,0,0,0,0|1,1,0]=4 1022 B7R0.5 COCC(=O)N(C)C 240690a_100102631434_100000210968 [0,2,0,0,0,0|1,1,0]=4 1023 B7R0.5 COCC(=O)N(C)C 34a_100138415774_100000692301 [0,2,0,0,0,0|1,1,0]=4 1024 B7R0.5 COCC(=O)N(C)C 527a_100102631434_100000210968 [0,2,0,0,0,0|1,1,0]=4 1025 B7R0.5 CSCC(=O)C(=O)C 62a_100011261029_200000210301 [0,2,0,0,0,0|1,0,0]=3 1026 B7R0.5 CSCC(=O)C(=O)C 62a_200000210301_100011261029 [0,2,0,0,0,0|1,0,0]=3 1027 B7R0.5 CSCC(=O)C(C)C 1458a_100000184570_100000210206 [0,2,0,0,0,0|0,0,1]=3 1028 B7R0.5 CSCC(=O)C(C)C 62a_100000753385_200000210301 [0,2,0,0,0,0|0,0,1]=3 1029 B7R0.5 CSCC(=O)C(C)C 62a_200000210301_100000753385 [0,2,0,0,0,0|0,0,1]=3 1030 B7R0.5 CSCC(=O)N(C)C 11a_100102631434_100000184570 [0,2,0,0,0,0|1,0,0]=3 1031 B7R0.5 CSCC(=O)N(C)C 1626a_100102631434_100000184570 [0,2,0,0,0,0|1,0,0]=3 1032 B7R0.5 CSCC(=O)N(C)C 240690a_100102631434_100000184570 [0,2,0,0,0,0|1,0,0]=3 1033 B7R0.5 CSCC(=O)N(C)C 527a_100102631434_100000184570 [0,2,0,0,0,0|1,0,0]=3 1034 B7R0.5 CSCC(=O)N(C)C 62a_100000692301_200000210301 [0,2,0,0,0,0|1,0,0]=3 1035 B7R0.5 CSCC(=O)N(C)C 62a_200000210301_100000692301 [0,2,0,0,0,0|1,0,0]=3 1036 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [0,2,0,0,0,0|1,0,1]=4 1037 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [0,2,0,0,0,0|1,0,1]=4 1038 B7R0.5 CSCC(C)N(C)C 270004a_100102631434_100011216314 [0,2,0,0,0,0|1,0,1]=4 1039 B7R0.5 CSCN(C)C(C)C 269982a_200000211004_100011218213 [0,2,0,0,0,0|1,0,1]=4 1040 B7R0.10 C/C=C(\C)/C(=O)CC 1458a_100020587367_100000210202 [0,2,0,0,0,0|1,0,0]=3 1041 B7R0.10 C/C=C(\C)/C(=O)CF 1458a_100020587367_100015361967 [0,2,0,0,0,0|1,0,0]=3 1042 B7R0.10 C/C=C(\C)/C(=O)NC 11a_106832991635_100020587367 [0,2,0,0,0,0|2,0,0]=4 1043 B7R0.10 C/C=C(\C)/C(=O)NC 1626a_100102657272_100020587367 [0,2,0,0,0,0|2,0,0]=4 1044 B7R0.10 CCC(=O)C(=O)NC 1458a_100011218921_100000210202 [0,2,0,0,0,0|2,0,0]=4 1045 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [0,2,0,0,0,0|1,0,1]=4 1046 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [0,2,0,0,0,0|1,0,1]=4 1047 B7R0.10 CCC(=O)C(C)NC 2230a_106832991635_100000742827 [0,2,0,0,0,0|1,0,1]=4 1048 B7R0.10 CCC(=O)C(C)NC 7a_106832991635_100000742827 [0,2,0,0,0,0|1,0,1]=4 1049 B7R0.10 CCC(=O)C(C)OC 1458a_100000743197_100000210202 [0,2,0,0,0,0|1,0,1]=4 1050 B7R0.10 CCC(=O)C(C)SC 1458a_100000149566_100000210202 [0,2,0,0,0,0|1,0,1]=4 1051 B7R0.10 CCC(=O)C(C)SC 62a_100000742827_200000210301 [0,2,0,0,0,0|1,0,1]=4 1052 B7R0.10 CCC(=O)C(C)SC 62a_200000210301_100000742827 [0,2,0,0,0,0|1,0,1]=4 1053 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_100000742827_200025704644 [0,2,0,0,0,0|1,0,1]=4 1054 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_200025704644_100000742827 [0,2,0,0,0,0|1,0,1]=4 1055 B7R0.10 CCC(=O)N(C)CC 11a_100000225621_100000210414 [0,2,0,0,0,0|2,0,0]=4 1056 B7R0.10 CCC(=O)N(C)CC 1626a_100000225621_100000210414 [0,2,0,0,0,0|2,0,0]=4 1057 B7R0.10 CCC(=O)N(C)CC 240690a_100000225621_100000210414 [0,2,0,0,0,0|2,0,0]=4 1058 B7R0.10 CCC(=O)N(C)CC 527a_100000225621_100000210414 [0,2,0,0,0,0|2,0,0]=4 1059 B7R0.10 CCC(C)C(=O)CF 1458a_100011192722_100015361967 [0,2,0,0,0,0|1,0,1]=4 1060 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [0,2,0,0,0,0|0,1,1]=4 1061 B7R0.10 CCN(C)C(=O)CO 240690a_100000225621_100000210174 [0,2,0,0,0,0|1,1,0]=4 1062 B7R0.10 CCN(C)C(=O)CO 527a_100000225621_100000210174 [0,2,0,0,0,0|1,1,0]=4 1063 B7R0.10 CNC(=O)C(=O)CF 1458a_100011218921_100015361967 [0,2,0,0,0,0|2,0,0]=4 1064 B7R0.10 COC(C)C(=O)CF 1458a_100000743197_100015361967 [0,2,0,0,0,0|1,0,1]=4 1065 B7R0.10 CSC(C)C(=O)CF 1458a_100000149566_100015361967 [0,2,0,0,0,0|1,0,1]=4 1066 B7R0.16 C=C(C)C(=O)C(C)C 1458a_100000185857_100000210206 [0,2,0,0,0,0|1,0,1]=4 1067 B7R0.16 CC(C)C(=O)C(C)C 1458a_100000210198_100000210206 [0,2,0,0,0,0|1,0,1]=4 1068 B7R0.16 CC(C)C(=O)C(C)F 1458a_100000062450_100000210206 [0,2,0,0,0,0|1,0,1]=4 1069 B7R0.16 CC(C)C(=O)C(O)O 1458a_100000233687_100000210206 [0,2,0,0,0,0|0,1,1]=4 1070 B7R0.16 CC(C)C(=O)N(C)C 11a_100102631434_100000210198 [0,2,0,0,0,0|2,0,0]=4 1071 B7R0.16 CC(C)C(=O)N(C)C 1626a_100102631434_100000210198 [0,2,0,0,0,0|2,0,0]=4 1072 B7R0.16 CC(C)C(=O)N(C)C 240690a_100102631434_100000210198 [0,2,0,0,0,0|2,0,0]=4 1073 B7R0.16 CC(C)C(=O)N(C)C 527a_100102631434_100000210198 [0,2,0,0,0,0|2,0,0]=4 1074 B7R0.16 CC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000210206 [0,2,0,0,0,0|0,1,1]=4 1075 B7R0.16 CC(C)C(=O)[C@H](C)O 1458a_217856618621_100000210206 [0,2,0,0,0,0|0,1,1]=4 1076 B7R0.16 CC(F)C(=O)N(C)C 11a_100102631434_100000062450 [0,2,0,0,0,0|2,0,0]=4 1077 B7R0.16 CC(F)C(=O)N(C)C 1626a_100102631434_100000062450 [0,2,0,0,0,0|2,0,0]=4 1078 B7R0.16 CC(F)C(=O)N(C)C 240690a_100102631434_100000062450 [0,2,0,0,0,0|2,0,0]=4 1079 B7R0.16 CC(F)C(=O)N(C)C 527a_100102631434_100000062450 [0,2,0,0,0,0|2,0,0]=4 1080 B7R0.16 CN(C)C(=O)C(F)F 11a_100102631434_100000210393 [0,2,0,0,0,0|2,0,0]=4 1081 B7R0.16 CN(C)C(=O)C(F)F 1626a_100102631434_100000210393 [0,2,0,0,0,0|2,0,0]=4 1082 B7R0.16 CN(C)C(=O)C(F)F 240690a_100102631434_100000210393 [0,2,0,0,0,0|2,0,0]=4 1083 B7R0.16 CN(C)C(=O)C(F)F 527a_100102631434_100000210393 [0,2,0,0,0,0|2,0,0]=4 1084 B7R0.16 CN(C)C(=O)C(O)O 240690a_100102631434_100000233687 [0,2,0,0,0,0|1,1,0]=4 1085 B7R0.16 C[C@@H](O)C(=O)N(C)C 240690a_100102631434_100000717761 [0,2,0,0,0,0|1,1,0]=4 1086 B7R0.16 C[C@H](O)C(=O)N(C)C 1626a_100102631434_217856618621 [0,2,0,0,0,0|1,1,0]=4 1087 B7R0.16 C[C@H](O)C(=O)N(C)C 240690a_100102631434_217856618621 [0,2,0,0,0,0|1,1,0]=4 1088 B7R0.14 CC(C)(C)C(=O)CF 1458a_106744555173_100015361967 [0,2,0,0,0,0|1,0,1]=4 1089 B7R0.14 CC(C)(F)C(=O)CF 1458a_100000765255_100015361967 [0,2,0,0,0,0|1,0,1]=4 1090 B7R0.14 CC(C)(O)C(=O)CF 1458a_100000242741_100015361967 [0,2,0,0,0,0|1,0,1]=4 1091 B7R0.14 CCC(=O)C(C)(C)C 1458a_106744555173_100000210202 [0,2,0,0,0,0|1,0,1]=4 1092 B7R0.14 CCC(=O)C(C)(C)F 1458a_100000765255_100000210202 [0,2,0,0,0,0|1,0,1]=4 1093 B7R0.14 CCC(=O)C(C)(C)O 1458a_100000242741_100000210202 [0,2,0,0,0,0|1,0,1]=4 1094 B7R0.4 C=C(C)C=NNCC 4a_100000756455_100000210575 [0,2,0,0,0,0|1,0,1]=4 1095 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [0,2,0,0,0,0|0,0,2]=4 1096 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [0,2,0,0,0,0|0,0,2]=4 1097 B7R0.4 C=C(C)CCSCF 62a_100000730704_100015361967 [0,2,0,0,0,0|0,0,2]=4 1098 B7R0.4 C=C(C)CCSCF 62a_100015361967_100000730704 [0,2,0,0,0,0|0,0,2]=4 1099 B7R0.4 C=C(C)COCSC 34a_100000210245_100011218213 [0,2,0,0,0,0|0,0,2]=4 1100 B7R0.4 C=C(C)CSCSC 62a_100000748629_100011218213 [0,2,0,0,0,0|0,0,2]=4 1101 B7R0.4 C=C(C)CSCSC 62a_100011218213_100000211660 [0,2,0,0,0,0|0,0,2]=4 1102 B7R0.4 CC(=CCCS[13CH3])C 62a_100011217483_200025704644 [0,2,0,0,0,0|0,0,0]=2 1103 B7R0.4 CC(=CCCS[13CH3])C 62a_200025704644_100011217483 [0,2,0,0,0,0|0,0,0]=2 1104 B7R0.4 CC(=CCNCF)C 34a_100000718196_100015361967 [0,2,0,0,0,0|1,0,0]=3 1105 B7R0.4 CC(=CCOCF)C 34a_100000753907_100015361967 [0,2,0,0,0,0|0,1,0]=3 1106 B7R0.4 CC(=CCSCF)C 62a_100000761012_100015361967 [0,2,0,0,0,0|0,0,0]=2 1107 B7R0.4 CC(=CCSCF)C 62a_100015361967_100000761012 [0,2,0,0,0,0|0,0,0]=2 1108 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [0,2,0,0,0,0|1,0,1]=4 1109 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [0,2,0,0,0,0|1,0,1]=4 1110 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [0,2,0,0,0,0|1,0,1]=4 1111 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [0,2,0,0,0,0|1,0,1]=4 1112 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [0,2,0,0,0,0|1,0,1]=4 1113 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [0,2,0,0,0,0|1,0,1]=4 1114 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [0,2,0,0,0,0|1,0,1]=4 1115 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [0,2,0,0,0,0|1,0,1]=4 1116 B7R0.4 CC(=O)OCSCF 62a_100000076356_100015361967 [0,2,0,0,0,0|2,0,0]=4 1117 B7R0.4 CC(=O)OCSCF 62a_100015361967_100000076356 [0,2,0,0,0,0|2,0,0]=4 1118 B7R0.4 CC(C)CCCS[13CH3] 62a_100011214892_200025704644 [0,2,0,0,0,0|0,0,2]=4 1119 B7R0.4 CC(C)CCCS[13CH3] 62a_200025704644_100011214892 [0,2,0,0,0,0|0,0,2]=4 1120 B7R0.4 CC(C)CCSCF 62a_100000210312_100015361967 [0,2,0,0,0,0|0,0,2]=4 1121 B7R0.4 CC(C)CCSCF 62a_100015361967_100000210312 [0,2,0,0,0,0|0,0,2]=4 1122 B7R0.4 CC(C)OCCS[13CH3] 62a_100000211751_200025704644 [0,2,0,0,0,0|0,0,2]=4 1123 B7R0.4 CC(C)OCCS[13CH3] 62a_200025704644_100000211751 [0,2,0,0,0,0|0,0,2]=4 1124 B7R0.4 CC(C)OCSCF 62a_100000709892_100015361967 [0,2,0,0,0,0|1,0,1]=4 1125 B7R0.4 CC(C)OCSCF 62a_100015361967_100000709892 [0,2,0,0,0,0|1,0,1]=4 1126 B7R0.4 CC(C)SCCS[13CH3] 62a_100000730970_200025704644 [0,2,0,0,0,0|0,0,2]=4 1127 B7R0.4 CC(C)SCCS[13CH3] 62a_200025704644_100000730970 [0,2,0,0,0,0|0,0,2]=4 1128 B7R0.4 CC(C)SCSC#N 62a_100000210206_100000211825 [0,2,0,0,0,0|1,0,1]=4 1129 B7R0.4 CC(C)SCSC#N 62a_100000211825_100000210206 [0,2,0,0,0,0|1,0,1]=4 1130 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [0,2,0,0,0,0|2,0,0]=4 1131 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [0,2,0,0,0,0|2,0,0]=4 1132 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [0,2,0,0,0,0|2,0,0]=4 1133 B7R0.4 CC/C=C\CN(C)C 2230a_100102631434_100103147603 [0,2,0,0,0,0|2,0,0]=4 1134 B7R0.4 CC/C=C\CN(C)C 269982a_100102631434_100103147603 [0,2,0,0,0,0|2,0,0]=4 1135 B7R0.4 CCC=NNC(=O)C 4a_100000189765_100000210100 [0,2,0,0,0,0|2,0,0]=4 1136 B7R0.4 CCC=NNC(C)C 4a_100000741168_100000210100 [0,2,0,0,0,0|1,0,1]=4 1137 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [0,2,0,0,0,0|2,0,0]=4 1138 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [0,2,0,0,0,0|2,0,0]=4 1139 B7R0.4 CCNCC=C(C)C 2230a_100015525214_100000761012 [0,2,0,0,0,0|1,0,0]=3 1140 B7R0.4 CCNCC=C(C)C 34a_100000718196_100000210202 [0,2,0,0,0,0|1,0,0]=3 1141 B7R0.4 CCNN=CC(C)C 4a_100000756455_100000210432 [0,2,0,0,0,0|1,0,1]=4 1142 B7R0.4 CCOC=CC(=O)C 1458a_100016266692_200000210301 [0,2,0,0,0,0|2,0,0]=4 1143 B7R0.4 CCOC=CC(=O)[13CH3] 1458a_100016266692_200025704644 [0,2,0,0,0,0|2,0,0]=4 1144 B7R0.4 CCOCC=C(C)C 34a_100000753907_100000210202 [0,2,0,0,0,0|0,1,0]=3 1145 B7R0.4 CCOCC=C(C)C 34a_100121572206_100000761012 [0,2,0,0,0,0|0,1,0]=3 1146 B7R0.4 CCSCC=C(C)C 62a_100000210202_100000761012 [0,2,0,0,0,0|0,0,0]=2 1147 B7R0.4 CCSCC=C(C)C 62a_100000761012_100000210202 [0,2,0,0,0,0|0,0,0]=2 1148 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [0,2,0,0,0,0|1,0,1]=4 1149 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [0,2,0,0,0,0|1,0,1]=4 1150 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [0,2,0,0,0,0|1,0,1]=4 1151 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [0,2,0,0,0,0|1,0,1]=4 1152 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [0,2,0,0,0,0|1,0,1]=4 1153 B7R0.4 CCSCCC(C)C 62a_100000210202_100000210312 [0,2,0,0,0,0|0,0,2]=4 1154 B7R0.4 CCSCCC(C)C 62a_100000210312_100000210202 [0,2,0,0,0,0|0,0,2]=4 1155 B7R0.4 CCSCCN(C)C 2230a_100102631434_100000757381 [0,2,0,0,0,0|1,0,1]=4 1156 B7R0.4 CCSCCN(C)C 269982a_100102631434_100000757381 [0,2,0,0,0,0|1,0,1]=4 1157 B7R0.4 CCSCCN(C)C 62a_100000210202_100000755713 [0,2,0,0,0,0|1,0,1]=4 1158 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [0,2,0,0,0,0|2,0,0]=4 1159 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [0,2,0,0,0,0|2,0,0]=4 1160 B7R0.4 CCSCOC(C)C 62a_100000210202_100000709892 [0,2,0,0,0,0|1,0,1]=4 1161 B7R0.4 CCSCOC(C)C 62a_100000709892_100000210202 [0,2,0,0,0,0|1,0,1]=4 1162 B7R0.4 CN(C)CCCS[13CH3] 62a_200025704644_100000757444 [0,2,0,0,0,0|1,0,1]=4 1163 B7R0.4 CN(C)CCSC#N 269982a_100102631434_100000034367 [0,2,0,0,0,0|1,0,1]=4 1164 B7R0.4 CN(C)CCSCF 62a_100015361967_100000755713 [0,2,0,0,0,0|1,0,1]=4 1165 B7R0.4 CNCCC=C(C)C 2230a_106832991635_100011217483 [0,2,0,0,0,0|1,0,0]=3 1166 B7R0.4 CNCCC=C(C)C 34a_100102657272_100011217483 [0,2,0,0,0,0|1,0,0]=3 1167 B7R0.4 CNCCC=C(C)C 7a_106832991635_100011217483 [0,2,0,0,0,0|1,0,0]=3 1168 B7R0.4 COCC=CC(=O)C 1458a_100016285016_200000210301 [0,2,0,0,0,0|1,1,0]=4 1169 B7R0.4 COCC=CC(=O)[13CH3] 1458a_100016285016_200025704644 [0,2,0,0,0,0|1,1,0]=4 1170 B7R0.4 COCCC=C(C)C 34a_100138415774_100011217483 [0,2,0,0,0,0|0,1,0]=3 1171 B7R0.4 CSCCC=C(C)C 62a_100011217483_200000210301 [0,2,0,0,0,0|0,0,0]=2 1172 B7R0.4 CSCCC=C(C)C 62a_200000210301_100011217483 [0,2,0,0,0,0|0,0,0]=2 1173 B7R0.4 CSCCC=C(F)F 62a_200000210301_200009816681 [0,2,0,0,0,0|2,0,0]=4 1174 B7R0.4 CSCCC=C(F)F 62a_200009816681_200000210301 [0,2,0,0,0,0|2,0,0]=4 1175 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [0,2,0,0,0,0|1,0,1]=4 1176 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [0,2,0,0,0,0|1,0,1]=4 1177 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [0,2,0,0,0,0|1,0,1]=4 1178 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [0,2,0,0,0,0|1,0,1]=4 1179 B7R0.4 CSCCCC(C)C 62a_100011214892_200000210301 [0,2,0,0,0,0|0,0,2]=4 1180 B7R0.4 CSCCCC(C)C 62a_200000210301_100011214892 [0,2,0,0,0,0|0,0,2]=4 1181 B7R0.4 CSCCCN(C)C 62a_200000210301_100000757444 [0,2,0,0,0,0|1,0,1]=4 1182 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [0,2,0,0,0,0|1,0,1]=4 1183 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [0,2,0,0,0,0|1,0,1]=4 1184 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [0,2,0,0,0,0|1,0,1]=4 1185 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [0,2,0,0,0,0|1,0,1]=4 1186 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [0,2,0,0,0,0|1,0,1]=4 1187 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [0,2,0,0,0,0|1,0,1]=4 1188 B7R0.4 CSCCNC(C)C 2230a_100020590264_100000210206 [0,2,0,0,0,0|0,0,2]=4 1189 B7R0.4 CSCCNC(C)C 2230a_100138425928_100000751147 [0,2,0,0,0,0|0,0,2]=4 1190 B7R0.4 CSCCNC(C)C 34a_100138425928_100000212216 [0,2,0,0,0,0|0,0,2]=4 1191 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [0,2,0,0,0,0|1,0,1]=4 1192 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [0,2,0,0,0,0|1,0,1]=4 1193 B7R0.4 CSCCOC(C)C 34a_100000212225_100000212216 [0,2,0,0,0,0|0,0,2]=4 1194 B7R0.4 CSCCOC(C)C 34a_100000230434_100000210206 [0,2,0,0,0,0|0,0,2]=4 1195 B7R0.4 CSCCOC(C)C 62a_100000211751_200000210301 [0,2,0,0,0,0|0,0,2]=4 1196 B7R0.4 CSCCOC(C)C 62a_200000210301_100000211751 [0,2,0,0,0,0|0,0,2]=4 1197 B7R0.4 CSCCOC(C)C 7a_100000230434_100000210206 [0,2,0,0,0,0|0,0,2]=4 1198 B7R0.4 CSCCSC(C)C 62a_100000210206_100000751147 [0,2,0,0,0,0|0,0,2]=4 1199 B7R0.4 CSCCSC(C)C 62a_100000212216_100000210206 [0,2,0,0,0,0|0,0,2]=4 1200 B7R0.4 CSCCSC(C)C 62a_100000730970_200000210301 [0,2,0,0,0,0|0,0,2]=4 1201 B7R0.4 CSCCSC(C)C 62a_200000210301_100000730970 [0,2,0,0,0,0|0,0,2]=4 1202 B7R0.4 CSCNCC(C)C 2230a_100000210953_100011218213 [0,2,0,0,0,0|0,0,2]=4 1203 B7R0.4 CSCNCC(C)C 34a_100000210953_100011218213 [0,2,0,0,0,0|0,0,2]=4 1204 B7R0.4 CSCOCC(=O)C 34a_100000211253_100011218213 [0,2,0,0,0,0|1,0,1]=4 1205 B7R0.4 CSCOCC(C)C 34a_100000210257_100011218213 [0,2,0,0,0,0|0,0,2]=4 1206 B7R0.4 CSCSCC(C)C 62a_100000210624_100011218213 [0,2,0,0,0,0|0,0,2]=4 1207 B7R0.4 CSCSCC(C)C 62a_100011218213_100000210760 [0,2,0,0,0,0|0,0,2]=4 1208 B7R0.4 [13CH3]SCCC=C(F)F 62a_200009816681_200025704644 [0,2,0,0,0,0|2,0,0]=4 1209 B7R0.4 [13CH3]SCCC=C(F)F 62a_200025704644_200009816681 [0,2,0,0,0,0|2,0,0]=4 1210 B7R0.6 CC(=CCC(=O)[13CH3])C 1458a_100011220947_200025704644 [0,2,0,0,0,0|0,1,0]=3 1211 B7R0.6 CC(=CCN(C)C)C 2230a_100102631434_100000761012 [0,2,0,0,0,0|1,0,0]=3 1212 B7R0.6 CC(=CCN(C)C)C 269982a_100102631434_100000761012 [0,2,0,0,0,0|1,0,0]=3 1213 B7R0.6 CC(=O)C=CC(C)C 1458a_100016268746_200000210301 [0,2,0,0,0,0|2,0,0]=4 1214 B7R0.6 CC(=O)CC=C(C)C 1458a_100000070787_100000761012 [0,2,0,0,0,0|0,1,0]=3 1215 B7R0.6 CC(=O)CC=C(C)C 1458a_100011220947_200000210301 [0,2,0,0,0,0|0,1,0]=3 1216 B7R0.6 CC(C)C=CC(=O)[13CH3] 1458a_100016268746_200025704644 [0,2,0,0,0,0|2,0,0]=4 1217 B7R0.8 CC(C)(C)CCS[13CH3] 62a_100000755188_200025704644 [0,2,0,0,0,0|0,0,2]=4 1218 B7R0.8 CC(C)(C)CCS[13CH3] 62a_200025704644_100000755188 [0,2,0,0,0,0|0,0,2]=4 1219 B7R0.8 CC(C)(O)CCS[13CH3] 62a_100000702414_200025704644 [0,2,0,0,0,0|0,0,2]=4 1220 B7R0.8 CC(C)(O)CCS[13CH3] 62a_200025704644_100000702414 [0,2,0,0,0,0|0,0,2]=4 1221 B7R0.8 CSCCC(C)(C)C 62a_100000755188_200000210301 [0,2,0,0,0,0|0,0,2]=4 1222 B7R0.8 CSCCC(C)(C)C 62a_200000210301_100000755188 [0,2,0,0,0,0|0,0,2]=4 1223 B7R0.8 CSCCC(C)(C)O 62a_100000702414_200000210301 [0,2,0,0,0,0|0,0,2]=4 1224 B7R0.8 CSCCC(C)(C)O 62a_200000210301_100000702414 [0,2,0,0,0,0|0,0,2]=4 1225 B7R0.8 CSCC[N+](C)(C)C 62a_100000085578_200000210301 [0,2,0,0,0,0|1,0,1]=4 1226 B7R0.8 CSCC[N+](C)(C)C 62a_200000210301_100000085578 [0,2,0,0,0,0|1,0,1]=4 1227 B7R0.8 CSCC[Si](C)(C)C 62a_200000210301_200000733723 [0,2,0,0,0,0|0,1,1]=4 1228 B7R0.8 CSCC[Si](C)(C)C 62a_200000733723_200000210301 [0,2,0,0,0,0|0,1,1]=4 1229 B7R0.8 CSCNC(C)(C)C 2230a_100000715429_100011218213 [0,2,0,0,0,0|1,0,1]=4 1230 B7R0.8 CSCOC(C)(C)C 34a_100015890283_100011218213 [0,2,0,0,0,0|1,0,1]=4 1231 B7R0.8 CSCSC(C)(C)C 62a_100000211941_100011218213 [0,2,0,0,0,0|1,0,1]=4 1232 B7R0.8 CSCSC(C)(C)C 62a_100011218213_100000211941 [0,2,0,0,0,0|1,0,1]=4 1233 B7R0.8 C[N+](C)(C)CCS[13CH3] 62a_100000085578_200025704644 [0,2,0,0,0,0|1,0,1]=4 1234 B7R0.8 C[N+](C)(C)CCS[13CH3] 62a_200025704644_100000085578 [0,2,0,0,0,0|1,0,1]=4 1235 B7R0.8 C[Si](C)(C)CCS[13CH3] 62a_200000733723_200025704644 [0,2,0,0,0,0|0,1,1]=4 1236 B7R0.8 C[Si](C)(C)CCS[13CH3] 62a_200025704644_200000733723 [0,2,0,0,0,0|0,1,1]=4 1237 B5R1.2 CN1CCC1 269982a_100000754969_200000210301 [1,0,0,1,0,0|1,0,1]=4 1238 B5R1.2 [13CH3]N1CCC1 269982a_100000754969_200025704644 [1,0,0,1,0,0|1,0,1]=4 1239 B5R1.3 CNC1CC1 34a_100000212008_200000210301 [1,0,0,1,0,0|1,0,1]=4 1240 B5R1.3 CNC1CC1 34a_100102657272_100000211595 [1,0,0,1,0,0|1,0,1]=4 1241 B5R1.3 COC1CC1 34a_100138415774_100000211595 [1,0,0,1,0,0|1,0,1]=4 1242 B5R1.3 CSC1CC1 62a_200000210301_100000211595 [1,0,0,1,0,0|1,0,1]=4 1243 B5R1.3 [13CH3]NC1CC1 34a_100000212008_200025704644 [1,0,0,1,0,0|1,0,1]=4 1244 B5R1.3 [13CH3]SC1CC1 62a_200025704644_100000211595 [1,0,0,1,0,0|1,0,1]=4 1245 B7R1.1 CCN1CCSC1 2230a_100011215254_100000210202 [0,1,0,1,0,0|1,0,1]=4 1246 B7R1.1 CCN1CCSC1 269982a_100011215254_100000204670 [0,1,0,1,0,0|1,0,1]=4 1247 B7R1.1 CNC1CCSC1 270004a_106832991635_100000212027 [0,1,0,1,0,0|0,0,2]=4 1248 B7R1.1 COC1CCSC1 7a_100011232664_200000210301 [0,1,0,1,0,0|0,0,2]=4 1249 B7R1.1 COc1ccsc1 34a_100000106738_200000210301 [0,1,0,1,0,0|0,0,2]=4 1250 B7R1.1 COc1ccsc1 7a_100000106738_200000210301 [0,1,0,1,0,0|0,0,2]=4 1251 B7R1.1 CSc1ccsc1 62a_100000738268_200000210301 [0,1,0,1,0,0|0,0,2]=4 1252 B7R1.1 CSc1ccsc1 62a_200000210301_100000738268 [0,1,0,1,0,0|0,0,2]=4 1253 B7R1.1 CSc1ccsn1 62a_100009818082_200000210301 [0,1,0,1,0,0|1,0,1]=4 1254 B7R1.1 CSc1ccsn1 62a_200000210301_100009818082 [0,1,0,1,0,0|1,0,1]=4 1255 B7R1.1 CSc1cnsc1 62a_100009815736_200000210301 [0,1,0,1,0,0|1,0,1]=4 1256 B7R1.1 CSc1cnsc1 62a_200000210301_100009815736 [0,1,0,1,0,0|1,0,1]=4 1257 B7R1.1 FCN1CCSC1 269982a_100011215254_100015361967 [0,1,0,1,0,0|1,0,1]=4 1258 B7R1.1 [13CH3]OC1CCSC1 7a_100011232664_200025704644 [0,1,0,1,0,0|0,0,2]=4 1259 B7R1.1 [13CH3]Oc1ccsc1 34a_100000106738_200025704644 [0,1,0,1,0,0|0,0,2]=4 1260 B7R1.1 [13CH3]Oc1ccsc1 7a_100000106738_200025704644 [0,1,0,1,0,0|0,0,2]=4 1261 B7R1.1 [13CH3]Sc1ccsc1 62a_100000738268_200025704644 [0,1,0,1,0,0|0,0,2]=4 1262 B7R1.1 [13CH3]Sc1ccsc1 62a_200025704644_100000738268 [0,1,0,1,0,0|0,0,2]=4 1263 B7R1.1 [13CH3]Sc1ccsn1 62a_100009818082_200025704644 [0,1,0,1,0,0|1,0,1]=4 1264 B7R1.1 [13CH3]Sc1ccsn1 62a_200025704644_100009818082 [0,1,0,1,0,0|1,0,1]=4 1265 B7R1.1 [13CH3]Sc1cnsc1 62a_100009815736_200025704644 [0,1,0,1,0,0|1,0,1]=4 1266 B7R1.1 [13CH3]Sc1cnsc1 62a_200025704644_100009815736 [0,1,0,1,0,0|1,0,1]=4 1267 B7R1.2 Cc1cc(sn1)O 271570a_203496583355_100009815735 [0,1,0,1,0,0|1,0,1]=4 1268 B7R1.2 Cc1csc(c1)O 271570a_203496583355_100009876951 [0,1,0,1,0,0|0,0,2]=4 1269 B7R1.3 CN1CCSCC1 2230a_100000737611_200000210301 [0,1,0,1,0,0|1,0,1]=4 1270 B7R1.3 CN1CCSCC1 269982a_100000737611_200000210301 [0,1,0,1,0,0|1,0,1]=4 1271 B7R1.3 [13CH3]N1CCSCC1 2230a_100000737611_200025704644 [0,1,0,1,0,0|1,0,1]=4 1272 B7R1.3 [13CH3]N1CCSCC1 269982a_100000737611_200025704644 [0,1,0,1,0,0|1,0,1]=4 1273 B7R1.4 CC1SCCN1C 2230a_200011216479_200000210301 [0,1,0,1,0,0|1,0,1]=4 1274 B7R1.4 CC1SCCN1C 269982a_200011216479_200000210301 [0,1,0,1,0,0|1,0,1]=4 1275 B7R1.4 CC1SCCN1C 34a_200011216479_200000210301 [0,1,0,1,0,0|1,0,1]=4 1276 B7R1.4 CC1SCCN1[13CH3] 2230a_200011216479_200025704644 [0,1,0,1,0,0|1,0,1]=4 1277 B7R1.4 CC1SCCN1[13CH3] 269982a_200011216479_200025704644 [0,1,0,1,0,0|1,0,1]=4 1278 B7R1.4 CC1SCCN1[13CH3] 34a_200011216479_200025704644 [0,1,0,1,0,0|1,0,1]=4 1279 B7R1.4 Cc1ccsc1O 271570a_203496583355_100000742657 [0,1,0,1,0,0|0,0,2]=4 1280 B7R1.4 Cc1cscc1O 271570a_203496583355_100000759966 [0,1,0,1,0,0|0,0,2]=4 1281 B7R1.4 Cc1sccc1O 271570a_203496583355_100000684487 [0,1,0,1,0,0|1,0,1]=4 1282 B7R1.10 CSC1CC(=O)C1 62a_100009894365_200000210301 [0,1,0,1,0,0|1,0,1]=4 1283 B7R1.10 CSC1CN(C1)C 269982a_100016990038_200000210301 [0,1,0,1,0,0|1,0,1]=4 1284 B7R1.10 CSC1CN(C1)[13CH3] 269982a_100016990038_200025704644 [0,1,0,1,0,0|1,0,1]=4 1285 B7R1.10 [13CH3]SC1CC(=O)C1 62a_100009894365_200025704644 [0,1,0,1,0,0|1,0,1]=4 1286 B7R1.22 CCC(=O)C1CC1 1458a_100000210395_100000210202 [0,1,0,1,0,0|1,0,1]=4 1287 B7R1.22 O=C(CF)C1CC1 1458a_100000210395_100015361967 [0,1,0,1,0,0|1,0,1]=4 1288 B7R1.20 CC(=O)CC1CS1 1458a_100000070787_100000031435 [0,1,0,1,0,0|1,0,1]=4 1289 B7R1.20 CN(C)CC1CS1 269982a_100102631434_100000031435 [0,1,0,1,0,0|1,0,1]=4 1290 B7R1.7 CSCCC1CC1 62a_100000764125_200000210301 [0,1,0,1,0,0|0,0,2]=4 1291 B7R1.7 CSCCC1CC1 62a_200000210301_100000764125 [0,1,0,1,0,0|0,0,2]=4 1292 B7R1.7 CSCNC1CC1 34a_100000212008_100011218213 [0,1,0,1,0,0|1,0,1]=4 1293 B7R1.7 CSCSC1CC1 62a_100011218213_100000211595 [0,1,0,1,0,0|1,0,1]=4 1294 B7R1.7 [13CH3]SCCC1CC1 62a_100000764125_200025704644 [0,1,0,1,0,0|0,0,2]=4 1295 B7R1.7 [13CH3]SCCC1CC1 62a_200025704644_100000764125 [0,1,0,1,0,0|0,0,2]=4