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|2,0,1]=3 19 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [0,0,0,0,0,0|2,0,1]=3 20 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [0,0,0,0,0,0|2,0,1]=3 21 B5R0.1 C=CCN(C)C 2230a_100000225617_200000210301 [0,0,0,0,0,0|2,0,1]=3 22 B5R0.1 C=CCN(C)C 2230a_100102631434_100000210623 [0,0,0,0,0,0|2,0,1]=3 23 B5R0.1 C=CCN(C)C 269982a_100000225617_200000210301 [0,0,0,0,0,0|2,0,1]=3 24 B5R0.1 C=CCN(C)C 269982a_100102631434_100000210623 [0,0,0,0,0,0|2,0,1]=3 25 B5R0.1 C=CCN(C)[13CH3] 2230a_100000225617_200025704644 [0,0,0,0,0,0|2,0,1]=3 26 B5R0.1 C=CCN(C)[13CH3] 269982a_100000225617_200025704644 [0,0,0,0,0,0|2,0,1]=3 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|2,0,0]=2 30 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [0,0,0,0,0,0|2,0,0]=2 31 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [0,0,0,0,0,0|2,0,0]=2 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|2,0,2]=4 35 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [0,0,0,0,0,0|1,0,3]=4 36 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [0,0,0,0,0,0|1,0,3]=4 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|2,0,2]=4 44 B5R0.1 CC(C)OCF 34a_100000212225_100015361967 [0,0,0,0,0,0|2,0,2]=4 45 B5R0.1 CC(C)SCF 62a_100000210206_100015361967 [0,0,0,0,0,0|2,0,2]=4 46 B5R0.1 CC(C)SCF 62a_100015361967_100000210206 [0,0,0,0,0,0|2,0,2]=4 47 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [0,0,0,0,0,0|2,0,0]=2 48 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [0,0,0,0,0,0|2,0,0]=2 49 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [0,0,0,0,0,0|2,0,2]=4 50 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [0,0,0,0,0,0|2,0,2]=4 51 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [0,0,0,0,0,0|2,0,2]=4 52 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [0,0,0,0,0,0|2,0,2]=4 53 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [0,0,0,0,0,0|2,0,2]=4 54 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [0,0,0,0,0,0|2,0,2]=4 55 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [0,0,0,0,0,0|2,0,2]=4 56 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [0,0,0,0,0,0|2,0,2]=4 57 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [0,0,0,0,0,0|2,0,2]=4 58 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [0,0,0,0,0,0|3,0,1]=4 59 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [0,0,0,0,0,0|3,0,1]=4 60 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [0,0,0,0,0,0|3,0,1]=4 61 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [0,0,0,0,0,0|2,0,2]=4 62 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [0,0,0,0,0,0|2,0,2]=4 63 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [0,0,0,0,0,0|2,0,2]=4 64 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [0,0,0,0,0,0|2,0,2]=4 65 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [0,0,0,0,0,0|2,0,2]=4 66 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [0,0,0,0,0,0|2,0,2]=4 67 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [0,0,0,0,0,0|2,0,2]=4 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|1,0,1]=2 72 B5R0.1 CN(C)CC=O 269982a_100102631434_200015260668 [0,0,0,0,0,0|1,0,1]=2 73 B5R0.1 CN(C)CCF 2230a_100102631434_100011217306 [0,0,0,0,0,0|2,0,2]=4 74 B5R0.1 CN(C)CCF 269982a_100102631434_100011217306 [0,0,0,0,0,0|2,0,2]=4 75 B5R0.1 CN(C)CCO 2230a_100000210263_200000210301 [0,0,0,0,0,0|1,0,3]=4 76 B5R0.1 CN(C)CCO 2230a_100102631434_100000211926 [0,0,0,0,0,0|1,0,3]=4 77 B5R0.1 CN(C)CCO 269982a_100000210263_200000210301 [0,0,0,0,0,0|1,0,3]=4 78 B5R0.1 CN(C)CCO 269982a_100102631434_100000211926 [0,0,0,0,0,0|1,0,3]=4 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|1,0,3]=4 81 B5R0.1 CN([13CH3])CCO 269982a_100000210263_200025704644 [0,0,0,0,0,0|1,0,3]=4 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|2,0,0]=2 103 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [0,0,0,0,0,0|2,0,0]=2 104 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [0,0,0,0,0,0|2,0,0]=2 105 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|1,0,3]=4 107 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|1,0,0]=2 110 B4R0.1 C=CC(=O)[13CH3] 1458a_100000185746_200025704644 [1,0,0,0,0,0|1,0,0]=2 111 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [1,0,0,0,0,0|2,0,1]=4 112 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [1,0,0,0,0,0|1,0,2]=4 113 B4R0.1 CC(C)N[13CH3] 2230a_100138425928_200025704644 [1,0,0,0,0,0|1,0,2]=4 114 B4R0.1 CC(C)N[13CH3] 34a_100138425928_200025704644 [1,0,0,0,0,0|1,0,2]=4 115 B4R0.1 CC(C)O[13CH3] 34a_100000212225_200025704644 [1,0,0,0,0,0|1,0,2]=4 116 B4R0.1 CC(C)S[13CH3] 62a_100000210206_200025704644 [1,0,0,0,0,0|1,0,2]=4 117 B4R0.1 CC(C)S[13CH3] 62a_200025704644_100000210206 [1,0,0,0,0,0|1,0,2]=4 118 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [1,0,0,0,0,0|1,0,2]=4 119 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [1,0,0,0,0,0|1,0,2]=4 120 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [1,0,0,0,0,0|1,0,2]=4 121 B4R0.1 CCN(C)C 2230a_100000225621_200000210301 [1,0,0,0,0,0|1,0,2]=4 122 B4R0.1 CCN(C)C 2230a_100102631434_100000210202 [1,0,0,0,0,0|1,0,2]=4 123 B4R0.1 CCN(C)C 269982a_100000225621_200000210301 [1,0,0,0,0,0|1,0,2]=4 124 B4R0.1 CCN(C)C 269982a_100102631434_100000204670 [1,0,0,0,0,0|1,0,2]=4 125 B4R0.1 CCN(C)[13CH3] 2230a_100000225621_200025704644 [1,0,0,0,0,0|1,0,2]=4 126 B4R0.1 CCN(C)[13CH3] 269982a_100000225621_200025704644 [1,0,0,0,0,0|1,0,2]=4 127 B4R0.1 CN(C)CF 269982a_100102631434_100015361967 [1,0,0,0,0,0|2,0,1]=4 128 B4R0.1 CNC(=O)C 11a_106832991635_100015343762 [1,0,0,0,0,0|2,0,1]=4 129 B4R0.1 CNC(=O)C 1626a_100102657272_100015343762 [1,0,0,0,0,0|2,0,1]=4 130 B4R0.1 CNC(=O)C 240690a_100102657272_100015343762 [1,0,0,0,0,0|2,0,1]=4 131 B4R0.1 CNC(=O)C 527a_100102657272_100103153847 [1,0,0,0,0,0|2,0,1]=4 132 B4R0.1 CNC(C)C 2230a_100138425928_200000210301 [1,0,0,0,0,0|1,0,2]=4 133 B4R0.1 CNC(C)C 2230a_106832991635_100000210206 [1,0,0,0,0,0|1,0,2]=4 134 B4R0.1 CNC(C)C 34a_100102657272_100000210206 [1,0,0,0,0,0|1,0,2]=4 135 B4R0.1 CNC(C)C 34a_100138425928_200000210301 [1,0,0,0,0,0|1,0,2]=4 136 B4R0.1 CNC(C)C 7a_106832991635_100000210206 [1,0,0,0,0,0|1,0,2]=4 137 B4R0.1 COC(C)C 34a_100000212225_200000210301 [1,0,0,0,0,0|1,0,2]=4 138 B4R0.1 COC(C)C 34a_100138415774_100000210206 [1,0,0,0,0,0|1,0,2]=4 139 B4R0.1 CSC(C)C 62a_100000210206_200000210301 [1,0,0,0,0,0|1,0,2]=4 140 B4R0.1 CSC(C)C 62a_200000210301_100000210206 [1,0,0,0,0,0|1,0,2]=4 141 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [1,0,0,0,0,0|1,0,2]=4 142 B4R0.2 C=CCNC 2230a_100020586998_200000210301 [1,0,0,0,0,0|2,0,1]=4 143 B4R0.2 C=CCNC 2230a_106832991635_100000210623 [1,0,0,0,0,0|2,0,1]=4 144 B4R0.2 C=CCNC 34a_100102657272_100015514636 [1,0,0,0,0,0|2,0,1]=4 145 B4R0.2 C=CCNC 7a_106832991635_100015514636 [1,0,0,0,0,0|2,0,1]=4 146 B4R0.2 C=CCN[13CH3] 2230a_100020586998_200025704644 [1,0,0,0,0,0|2,0,1]=4 147 B4R0.2 C=CCOC 34a_100138415774_100015514636 [1,0,0,0,0,0|2,0,1]=4 148 B4R0.2 C=CCOC 34a_200000210373_200000210301 [1,0,0,0,0,0|2,0,1]=4 149 B4R0.2 C=CCO[13CH3] 34a_200000210373_200025704644 [1,0,0,0,0,0|2,0,1]=4 150 B4R0.2 C=CCSC 62a_100000210623_200000210301 [1,0,0,0,0,0|2,0,1]=4 151 B4R0.2 C=CCSC 62a_200000210301_100000210623 [1,0,0,0,0,0|2,0,1]=4 152 B4R0.2 C=CCS[13CH3] 62a_100000210623_200025704644 [1,0,0,0,0,0|2,0,1]=4 153 B4R0.2 C=CCS[13CH3] 62a_200025704644_100000210623 [1,0,0,0,0,0|2,0,1]=4 154 B4R0.2 CNCC=O 2230a_106832991635_200015260668 [1,0,0,0,0,0|1,0,1]=3 155 B4R0.2 CNCC=O 34a_100102657272_200009817547 [1,0,0,0,0,0|1,0,1]=3 156 B4R0.2 CNCC=O 7a_106832991635_200015260668 [1,0,0,0,0,0|1,0,1]=3 157 B4R0.2 COCC=O 34a_100138415774_200009817547 [1,0,0,0,0,0|1,0,1]=3 158 B4R0.2 CSCC=O 62a_200000210301_200015260668 [1,0,0,0,0,0|1,0,1]=3 159 B4R0.2 CSCC=O 62a_200015260668_200000210301 [1,0,0,0,0,0|1,0,1]=3 160 B4R0.2 [13CH3]SCC=O 62a_200015260668_200025704644 [1,0,0,0,0,0|1,0,1]=3 161 B4R0.2 [13CH3]SCC=O 62a_200025704644_200015260668 [1,0,0,0,0,0|1,0,1]=3 162 B6R0.1 C/C=C/C(C)OC 34a_200102604097_200000210301 [0,1,0,0,0,0|1,0,1]=3 163 B6R0.1 C/C=C/C(C)O[13CH3] 34a_200102604097_200025704644 [0,1,0,0,0,0|1,0,1]=3 164 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [0,1,0,0,0,0|2,0,1]=4 165 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [0,1,0,0,0,0|2,0,1]=4 166 B6R0.1 C=CCC(=O)CF 1458a_100000210193_100015361967 [0,1,0,0,0,0|2,0,1]=4 167 B6R0.1 C=CCC(=O)CO 1458a_100000210174_100000210623 [0,1,0,0,0,0|2,0,1]=4 168 B6R0.1 C=CCC(=O)NC 11a_106832991635_100000210193 [0,1,0,0,0,0|2,0,1]=4 169 B6R0.1 C=CCC(=O)NC 1626a_100102657272_100000210193 [0,1,0,0,0,0|2,0,1]=4 170 B6R0.1 C=CCC(=O)NC 240690a_100102657272_100000210193 [0,1,0,0,0,0|2,0,1]=4 171 B6R0.1 C=CCC(=O)NC 527a_100102657272_100000210193 [0,1,0,0,0,0|2,0,1]=4 172 B6R0.1 C=CCN(C)CC 2230a_100000225617_100000210202 [0,1,0,0,0,0|2,0,1]=4 173 B6R0.1 C=CCN(C)CC 2230a_100000225621_100000210623 [0,1,0,0,0,0|2,0,1]=4 174 B6R0.1 C=CCN(C)CC 269982a_100000225617_100000204670 [0,1,0,0,0,0|2,0,1]=4 175 B6R0.1 C=CCN(C)CC 269982a_100000225621_100000210623 [0,1,0,0,0,0|2,0,1]=4 176 B6R0.1 C=CCN(C)CF 269982a_100000225617_100015361967 [0,1,0,0,0,0|2,0,1]=4 177 B6R0.1 C=CC[C@@H](C)OC 34a_100000731007_200000210301 [0,1,0,0,0,0|1,0,2]=4 178 B6R0.1 C=CC[C@@H](C)OC 7a_100000731007_200000210301 [0,1,0,0,0,0|1,0,2]=4 179 B6R0.1 C=CC[C@@H](C)O[13CH3] 34a_100000731007_200025704644 [0,1,0,0,0,0|1,0,2]=4 180 B6R0.1 C=CC[C@@H](C)O[13CH3] 7a_100000731007_200025704644 [0,1,0,0,0,0|1,0,2]=4 181 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [0,1,0,0,0,0|2,0,0]=3 182 B6R0.1 CC=CC(=O)CF 1458a_100000210699_100015361967 [0,1,0,0,0,0|2,0,0]=3 183 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [0,1,0,0,0,0|2,0,0]=3 184 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [0,1,0,0,0,0|2,0,0]=3 185 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [0,1,0,0,0,0|2,0,0]=3 186 B6R0.1 CCC(=O)C=CBr 1458a_100016273825_100000210202 [0,1,0,0,0,0|2,0,0]=3 187 B6R0.1 CCC(=O)C=CCl 1458a_200016279998_100000210202 [0,1,0,0,0,0|2,0,0]=3 188 B6R0.1 CCC(=O)C=CI 1458a_100016256311_100000210202 [0,1,0,0,0,0|2,0,0]=3 189 B6R0.1 CCN(C)CC=O 2230a_100000225621_200015260668 [0,1,0,0,0,0|1,0,1]=3 190 B6R0.1 CCN(C)CC=O 269982a_100000225621_200015260668 [0,1,0,0,0,0|1,0,1]=3 191 B6R0.1 CNC(=O)C=CBr 1626a_100102657272_100016273825 [0,1,0,0,0,0|2,0,0]=3 192 B6R0.1 CNC(=O)C=CBr 240690a_100102657272_100016273825 [0,1,0,0,0,0|2,0,0]=3 193 B6R0.1 CNC(=O)C=CCl 11a_106832991635_200016279998 [0,1,0,0,0,0|2,0,0]=3 194 B6R0.1 CNC(=O)C=CCl 1626a_100102657272_200016279998 [0,1,0,0,0,0|2,0,0]=3 195 B6R0.1 CNC(=O)C=CCl 240690a_100102657272_200016279998 [0,1,0,0,0,0|2,0,0]=3 196 B6R0.1 CNC(=O)C=CI 1626a_100102657272_100016256311 [0,1,0,0,0,0|2,0,0]=3 197 B6R0.1 O=C(C=CBr)CF 1458a_100016273825_100015361967 [0,1,0,0,0,0|2,0,0]=3 198 B6R0.1 O=C(C=CCl)CF 1458a_200016279998_100015361967 [0,1,0,0,0,0|2,0,0]=3 199 B6R0.1 O=C(C=CI)CF 1458a_100016256311_100015361967 [0,1,0,0,0,0|2,0,0]=3 200 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [0,1,0,0,0,0|0,0,2]=3 201 B6R0.2 C=C(C)CN(C)C 2230a_100000225649_200000210301 [0,1,0,0,0,0|2,0,1]=4 202 B6R0.2 C=C(C)CN(C)C 2230a_100102631434_100000748629 [0,1,0,0,0,0|2,0,1]=4 203 B6R0.2 C=C(C)CN(C)C 269982a_100000225649_200000210301 [0,1,0,0,0,0|2,0,1]=4 204 B6R0.2 C=C(C)CN(C)C 269982a_100102631434_100000748629 [0,1,0,0,0,0|2,0,1]=4 205 B6R0.2 C=C(C)CN(C)[13CH3] 2230a_100000225649_200025704644 [0,1,0,0,0,0|2,0,1]=4 206 B6R0.2 C=C(C)CN(C)[13CH3] 269982a_100000225649_200025704644 [0,1,0,0,0,0|2,0,1]=4 207 B6R0.2 C=C(F)CC(=O)C 1458a_100000070787_100009893438 [0,1,0,0,0,0|1,0,2]=4 208 B6R0.2 C=C(F)CN(C)C 2230a_100102631434_100009893438 [0,1,0,0,0,0|2,0,1]=4 209 B6R0.2 C=C(F)CN(C)C 269982a_100102631434_100009893438 [0,1,0,0,0,0|2,0,1]=4 210 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [0,1,0,0,0,0|0,0,0]=1 211 B6R0.2 CC(=CC(=O)[13CH3])Cl 1458a_200042562850_200025704644 [0,1,0,0,0,0|1,0,0]=2 212 B6R0.2 CC(=CC(=O)[13CH3])I 1458a_100025716642_200025704644 [0,1,0,0,0,0|1,0,0]=2 213 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [0,1,0,0,0,0|0,0,0]=1 214 B6R0.2 CC(=O)C=C(C)Cl 1458a_200042562850_200000210301 [0,1,0,0,0,0|1,0,0]=2 215 B6R0.2 CC(=O)C=C(C)I 1458a_100025716642_200000210301 [0,1,0,0,0,0|1,0,0]=2 216 B6R0.2 CC(=O)C=C(Cl)Cl 1458a_100000137448_200000210301 [0,1,0,0,0,0|2,0,0]=3 217 B6R0.2 CC(=O)CC(=O)N 1458a_100000070787_100000187820 [0,1,0,0,0,0|1,0,1]=3 218 B6R0.2 CC(=O)CC(=O)N 1458a_100134613110_200000210301 [0,1,0,0,0,0|1,0,1]=3 219 B6R0.2 CC(=O)CC(=O)[O-] 1458a_100000070787_100020667443 [0,1,0,0,0,0|1,0,1]=3 220 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [0,1,0,0,0,0|0,0,2]=3 221 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [0,1,0,0,0,0|0,0,2]=3 222 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [0,1,0,0,0,0|1,0,2]=4 223 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [0,1,0,0,0,0|1,0,1]=3 224 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [0,1,0,0,0,0|1,0,2]=4 225 B6R0.2 CC(=O)C[N+](=O)[O-] 1458a_100000070787_100000761209 [0,1,0,0,0,0|2,0,1]=4 226 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [0,1,0,0,0,0|1,0,1]=3 227 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [0,1,0,0,0,0|1,0,1]=3 228 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [0,1,0,0,0,0|1,0,1]=3 229 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [0,1,0,0,0,0|1,0,1]=3 230 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [0,1,0,0,0,0|1,0,1]=3 231 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [0,1,0,0,0,0|0,0,2]=3 232 B6R0.2 CN(C)CC(=O)N 2230a_100000739694_200000210301 [0,1,0,0,0,0|1,0,1]=3 233 B6R0.2 CN(C)CC(=O)N 2230a_100102631434_100000747473 [0,1,0,0,0,0|1,0,1]=3 234 B6R0.2 CN(C)CC(=O)N 269982a_100102631434_100000187820 [0,1,0,0,0,0|1,0,1]=3 235 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [0,1,0,0,0,0|1,0,1]=3 236 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [0,1,0,0,0,0|1,0,1]=3 237 B6R0.2 CN(C)CC(=O)[O-] 269982a_100102631434_100020667443 [0,1,0,0,0,0|1,0,1]=3 238 B6R0.2 CN(C)C[N+](=O)[O-] 269982a_100102631434_100000761209 [0,1,0,0,0,0|2,0,1]=4 239 B6R0.2 CN([13CH3])CC(=O)N 2230a_100000739694_200025704644 [0,1,0,0,0,0|1,0,1]=3 240 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [0,1,0,0,0,0|1,0,1]=3 241 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [0,1,0,0,0,0|1,0,2]=4 242 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [0,1,0,0,0,0|1,0,1]=3 243 B6R0.2 [13CH3]C(=O)C=C(Cl)Cl 1458a_100000137448_200025704644 [0,1,0,0,0,0|2,0,0]=3 244 B6R0.2 [13CH3]C(=O)CC(=O)N 1458a_100134613110_200025704644 [0,1,0,0,0,0|1,0,1]=3 245 B6R0.3 C#CC(=O)C(C)C 1458a_100000211873_100000210206 [0,1,0,0,0,0|1,0,2]=4 246 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [0,1,0,0,0,0|2,0,0]=3 247 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [0,1,0,0,0,0|2,0,0]=3 248 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [0,1,0,0,0,0|1,0,2]=4 249 B6R0.3 C=C(C)C(=O)CF 1458a_100000185857_100015361967 [0,1,0,0,0,0|1,0,2]=4 250 B6R0.3 C=C(C)C(=O)NC 11a_106832991635_100000185857 [0,1,0,0,0,0|2,0,1]=4 251 B6R0.3 C=C(C)C(=O)NC 1626a_100102657272_100000185857 [0,1,0,0,0,0|2,0,1]=4 252 B6R0.3 C=CC(=O)C(C)C 1458a_100000185746_100000210206 [0,1,0,0,0,0|1,0,1]=3 253 B6R0.3 C=CC(=O)N(C)C 1626a_100102631434_100000185746 [0,1,0,0,0,0|2,0,0]=3 254 B6R0.3 C=CC(=O)N(C)C 240690a_100102631434_200121576911 [0,1,0,0,0,0|2,0,0]=3 255 B6R0.3 C=CC(C)C(=O)C 1458a_100011216780_200000210301 [0,1,0,0,0,0|2,0,1]=4 256 B6R0.3 C=CC(C)C(=O)[13CH3] 1458a_100011216780_200025704644 [0,1,0,0,0,0|2,0,1]=4 257 B6R0.3 C=CC(C)N(C)C 269982a_100102631434_100011215867 [0,1,0,0,0,0|2,0,1]=4 258 B6R0.3 CC(C)C(=O)CF 1458a_100000210198_100015361967 [0,1,0,0,0,0|1,0,2]=4 259 B6R0.3 CC(C)C(=O)CO 1458a_100000210174_100000210206 [0,1,0,0,0,0|0,0,3]=4 260 B6R0.3 CCC(=O)C(C)C 1458a_100000210198_100000210202 [0,1,0,0,0,0|1,0,2]=4 261 B6R0.3 CCC(=O)C(C)C 1458a_100000210414_100000210206 [0,1,0,0,0,0|1,0,2]=4 262 B6R0.3 CCC(=O)N(C)C 11a_100102631434_100000210414 [0,1,0,0,0,0|2,0,1]=4 263 B6R0.3 CCC(=O)N(C)C 1626a_100102631434_100000210414 [0,1,0,0,0,0|2,0,1]=4 264 B6R0.3 CCC(=O)N(C)C 240690a_100102631434_100000210414 [0,1,0,0,0,0|2,0,1]=4 265 B6R0.3 CCC(=O)N(C)C 527a_100102631434_100000210414 [0,1,0,0,0,0|2,0,1]=4 266 B6R0.3 CN(C)C(=O)CO 240690a_100102631434_100000210174 [0,1,0,0,0,0|1,0,2]=4 267 B6R0.3 CN(C)C(=O)CO 527a_100102631434_100000210174 [0,1,0,0,0,0|1,0,2]=4 268 B6R0.3 CNC(=O)C(=O)C 1458a_100011218921_200000210301 [0,1,0,0,0,0|3,0,0]=4 269 B6R0.3 CNC(=O)C(=O)[13CH3] 1458a_100011218921_200025704644 [0,1,0,0,0,0|3,0,0]=4 270 B6R0.3 CNC(=O)C(C)C 11a_106832991635_100000210198 [0,1,0,0,0,0|2,0,1]=4 271 B6R0.3 CNC(=O)C(C)C 1626a_100102657272_100000210198 [0,1,0,0,0,0|2,0,1]=4 272 B6R0.3 CNC(=O)C(C)C 240690a_100102657272_100000210198 [0,1,0,0,0,0|2,0,1]=4 273 B6R0.3 CNC(=O)C(C)C 527a_100102657272_100000210198 [0,1,0,0,0,0|2,0,1]=4 274 B6R0.3 CNC(=O)N(C)C 2708a_100102657272_100102631434 [0,1,0,0,0,0|3,0,0]=4 275 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [0,1,0,0,0,0|2,0,0]=3 276 B6R0.4 C/C=C/CN(C)C 269982a_100102631434_100102629194 [0,1,0,0,0,0|2,0,0]=3 277 B6R0.4 C=CC=CC(=O)C 1458a_100016291481_200000210301 [0,1,0,0,0,0|2,0,0]=3 278 B6R0.4 C=CC=CC(=O)[13CH3] 1458a_100016291481_200025704644 [0,1,0,0,0,0|2,0,0]=3 279 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [0,1,0,0,0,0|2,0,1]=4 280 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [0,1,0,0,0,0|2,0,1]=4 281 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [0,1,0,0,0,0|2,0,1]=4 282 B6R0.4 C=CCCN(C)C 2230a_100020639649_200000210301 [0,1,0,0,0,0|2,0,1]=4 283 B6R0.4 C=CCCN(C)C 2230a_100102631434_100000754431 [0,1,0,0,0,0|2,0,1]=4 284 B6R0.4 C=CCCN(C)C 269982a_100020639649_200000210301 [0,1,0,0,0,0|2,0,1]=4 285 B6R0.4 C=CCCN(C)C 269982a_100102631434_100000754431 [0,1,0,0,0,0|2,0,1]=4 286 B6R0.4 C=CCCN(C)[13CH3] 2230a_100020639649_200025704644 [0,1,0,0,0,0|2,0,1]=4 287 B6R0.4 C=CCCN(C)[13CH3] 269982a_100020639649_200025704644 [0,1,0,0,0,0|2,0,1]=4 288 B6R0.4 C=CCNC(=O)C 1626a_100020586998_100015343762 [0,1,0,0,0,0|2,0,1]=4 289 B6R0.4 C=CCNC(=O)C 240690a_100020586998_100015343762 [0,1,0,0,0,0|2,0,1]=4 290 B6R0.4 C=CCNC(=O)C 527a_100020586998_100103153847 [0,1,0,0,0,0|2,0,1]=4 291 B6R0.4 C=CCNC(C)C 2230a_100020586998_100000210206 [0,1,0,0,0,0|1,0,2]=4 292 B6R0.4 C=CCNC(C)C 2230a_100138425928_100000210623 [0,1,0,0,0,0|1,0,2]=4 293 B6R0.4 C=CCNC(C)C 34a_100138425928_100015514636 [0,1,0,0,0,0|1,0,2]=4 294 B6R0.4 C=CCOC(C)C 34a_100000212225_100015514636 [0,1,0,0,0,0|1,0,2]=4 295 B6R0.4 C=CCOC(C)C 34a_200000210373_100000210206 [0,1,0,0,0,0|1,0,2]=4 296 B6R0.4 C=CCSC(C)C 62a_100000210206_100000210623 [0,1,0,0,0,0|1,0,2]=4 297 B6R0.4 C=CCSC(C)C 62a_100000210623_100000210206 [0,1,0,0,0,0|1,0,2]=4 298 B6R0.4 CC(=CCN[13CH3])C 34a_100000718196_200025704644 [0,1,0,0,0,0|1,0,1]=3 299 B6R0.4 CC(=CCO[13CH3])C 34a_100000753907_200025704644 [0,1,0,0,0,0|0,0,2]=3 300 B6R0.4 CC(=CCS[13CH3])C 62a_100000761012_200025704644 [0,1,0,0,0,0|0,1,1]=3 301 B6R0.4 CC(=CCS[13CH3])C 62a_200025704644_100000761012 [0,1,0,0,0,0|0,1,1]=3 302 B6R0.4 CC(C)NCC=O 2230a_100138425928_200015260668 [0,1,0,0,0,0|0,0,2]=3 303 B6R0.4 CC(C)NCC=O 34a_100138425928_200009817547 [0,1,0,0,0,0|0,0,2]=3 304 B6R0.4 CC(C)OCC=O 34a_100000212225_200009817547 [0,1,0,0,0,0|0,0,2]=3 305 B6R0.4 CC(C)SCC=O 62a_100000210206_200015260668 [0,1,0,0,0,0|0,0,2]=3 306 B6R0.4 CC(C)SCC=O 62a_200015260668_100000210206 [0,1,0,0,0,0|0,0,2]=3 307 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [0,1,0,0,0,0|2,0,0]=3 308 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [0,1,0,0,0,0|2,0,0]=3 309 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [0,1,0,0,0,0|2,0,0]=3 310 B6R0.4 CC=CCN(C)C 2230a_100102631434_100000070051 [0,1,0,0,0,0|2,0,0]=3 311 B6R0.4 CC=NNC(=O)C 4a_100000189765_200000210099 [0,1,0,0,0,0|3,0,0]=4 312 B6R0.4 CC=NNC(C)C 4a_100000741168_200000210099 [0,1,0,0,0,0|2,0,1]=4 313 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [0,1,0,0,0,0|2,0,0]=3 314 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [0,1,0,0,0,0|2,0,0]=3 315 B6R0.4 CNCC=C(C)C 2230a_106832991635_100000761012 [0,1,0,0,0,0|1,0,1]=3 316 B6R0.4 CNCC=C(C)C 34a_100000718196_200000210301 [0,1,0,0,0,0|1,0,1]=3 317 B6R0.4 CNCC=C(C)C 34a_100102657272_100000761012 [0,1,0,0,0,0|1,0,1]=3 318 B6R0.4 CNCC=C(C)C 7a_106832991635_100000761012 [0,1,0,0,0,0|1,0,1]=3 319 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [0,1,0,0,0,0|1,0,1]=3 320 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [0,1,0,0,0,0|1,0,1]=3 321 B6R0.4 COCC=C(C)C 34a_100000753907_200000210301 [0,1,0,0,0,0|0,0,2]=3 322 B6R0.4 COCC=C(C)C 34a_100138415774_100000761012 [0,1,0,0,0,0|0,0,2]=3 323 B6R0.4 CSCC=C(C)C 62a_100000761012_200000210301 [0,1,0,0,0,0|0,1,1]=3 324 B6R0.4 CSCC=C(C)C 62a_200000210301_100000761012 [0,1,0,0,0,0|0,1,1]=3 325 B6R1.2 CN1CC=CC1 269982a_100015195280_200000210301 [0,0,0,1,0,0|2,0,1]=4 326 B6R1.2 Oc1cc[nH]n1 271570a_203496583355_100000062575 [0,0,0,1,0,0|3,0,0]=4 327 B6R1.2 Oc1ccco1 271570a_203496583355_100009814098 [0,0,0,1,0,0|3,0,0]=4 328 B6R1.2 Oc1cccs1 271570a_203496583355_100011215356 [0,0,0,1,0,0|3,0,0]=4 329 B6R1.2 Oc1ccoc1 271570a_203496583355_100011215275 [0,0,0,1,0,0|1,0,2]=4 330 B6R1.2 Oc1ccsc1 271570a_203496583355_100000738268 [0,0,0,1,0,0|1,1,1]=4 331 B6R1.2 Oc1ccsn1 271570a_203496583355_100009818082 [0,0,0,1,0,0|2,1,0]=4 332 B6R1.2 [13CH3]N1CC=CC1 269982a_100015195280_200025704644 [0,0,0,1,0,0|2,0,1]=4 333 B3R0.2 CC(=O)C 1458a_100000070787_200000210301 [2,0,0,0,0,0|0,0,0]=2 334 B3R0.2 CC(=O)[13CH3] 1458a_100000070787_200025704644 [2,0,0,0,0,0|0,0,0]=2 335 B3R0.2 CN(C)C 2230a_100102631434_200000210301 [2,0,0,0,0,0|1,0,1]=4 336 B3R0.2 CN(C)C 269982a_100102631434_200000210301 [2,0,0,0,0,0|1,0,1]=4 337 B3R0.2 CN(C)[13CH3] 2230a_100102631434_200025704644 [2,0,0,0,0,0|1,0,1]=4 338 B3R0.2 CN(C)[13CH3] 269982a_100102631434_200025704644 [2,0,0,0,0,0|1,0,1]=4 339 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [1,1,0,0,0,0|1,0,0]=3 340 B5R0.3 C=CC(=O)CF 1458a_100000185746_100015361967 [1,1,0,0,0,0|1,0,0]=3 341 B5R0.3 C=CC(=O)NC 1626a_100102657272_100000185746 [1,1,0,0,0,0|1,0,0]=3 342 B5R0.3 C=CC(=O)NC 240690a_100102657272_200121576911 [1,1,0,0,0,0|1,0,0]=3 343 B5R0.3 C=CC(C)OC 34a_100000695699_200000210301 [1,1,0,0,0,0|0,0,1]=3 344 B5R0.3 C=CC(C)O[13CH3] 34a_100000695699_200025704644 [1,1,0,0,0,0|0,0,1]=3 345 B5R0.3 C=CC(C)SC 62a_100011215867_200000210301 [1,1,0,0,0,0|0,0,1]=3 346 B5R0.3 C=CC(C)S[13CH3] 62a_100011215867_200025704644 [1,1,0,0,0,0|0,0,1]=3 347 B5R0.5 C=C(C)C(=O)C 1458a_100000185857_200000210301 [1,1,0,0,0,0|0,0,1]=3 348 B5R0.5 C=C(C)C(=O)[13CH3] 1458a_100000185857_200025704644 [1,1,0,0,0,0|0,0,1]=3 349 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [1,1,0,0,0,0|0,0,1]=3 350 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [1,1,0,0,0,0|0,0,1]=3 351 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [1,1,0,0,0,0|1,0,1]=4 352 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [1,1,0,0,0,0|1,0,0]=3 353 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [1,1,0,0,0,0|1,0,0]=3 354 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [1,1,0,0,0,0|1,0,0]=3 355 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [1,1,0,0,0,0|1,0,0]=3 356 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [1,1,0,0,0,0|1,0,1]=4 357 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [1,1,0,0,0,0|1,0,1]=4 358 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [1,1,0,0,0,0|0,0,1]=3 359 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [1,1,0,0,0,0|1,0,1]=4 360 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [1,1,0,0,0,0|1,0,1]=4 361 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [1,1,0,0,0,0|1,0,1]=4 362 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [1,1,0,0,0,0|1,0,1]=4 363 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [1,1,0,0,0,0|1,0,1]=4 364 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [1,1,0,0,0,0|0,0,2]=4 365 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [1,1,0,0,0,0|0,0,2]=4 366 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [1,1,0,0,0,0|0,0,2]=4 367 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [1,1,0,0,0,0|0,1,1]=4 368 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [1,1,0,0,0,0|0,1,1]=4 369 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [1,1,0,0,0,0|0,1,1]=4 370 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [1,1,0,0,0,0|0,1,1]=4 371 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [1,1,0,0,0,0|1,0,1]=4 372 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [1,1,0,0,0,0|1,0,1]=4 373 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [1,1,0,0,0,0|1,0,1]=4 374 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [1,1,0,0,0,0|0,0,2]=4 375 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [1,1,0,0,0,0|0,1,1]=4 376 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [1,1,0,0,0,0|0,1,1]=4 377 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [1,1,0,0,0,0|0,1,1]=4 378 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [1,1,0,0,0,0|0,1,1]=4 379 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [1,1,0,0,0,0|0,0,2]=4 380 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [1,1,0,0,0,0|0,0,2]=4 381 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [1,1,0,0,0,0|0,0,2]=4 382 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [1,1,0,0,0,0|0,0,2]=4 383 B5R0.2 O=CCSCF 62a_100015361967_200015260668 [1,1,0,0,0,0|1,0,1]=4 384 B5R0.2 O=CCSCF 62a_200015260668_100015361967 [1,1,0,0,0,0|1,0,1]=4 385 B7R0.2 C#CC(=O)CC(=C)C 1458a_100000211873_100000748629 [0,2,0,0,0,0|0,0,2]=4 386 B7R0.2 C#CC(=O)CC(C)C 1458a_100000211873_100000210624 [0,2,0,0,0,0|0,0,2]=4 387 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [0,2,0,0,0,0|0,0,2]=4 388 B7R0.2 C=C(C)CC(=O)CO 1458a_100000210174_100000748629 [0,2,0,0,0,0|0,0,2]=4 389 B7R0.2 C=CC(=O)CC(=C)C 1458a_100000185746_100000748629 [0,2,0,0,0,0|0,0,2]=4 390 B7R0.2 C=CC(=O)CC(C)C 1458a_100000185746_100000210624 [0,2,0,0,0,0|0,0,2]=4 391 B7R0.2 C=CC(=O)NC(C)C 1626a_100138425928_100000185746 [0,2,0,0,0,0|1,0,1]=4 392 B7R0.2 C=CC(=O)NC(C)C 240690a_100138425928_200121576911 [0,2,0,0,0,0|1,0,1]=4 393 B7R0.2 CC(=CC(=O)CF)C 1458a_100000211388_100015361967 [0,2,0,0,0,0|0,0,0]=2 394 B7R0.2 CC(=CC(=O)CF)Cl 1458a_200042562850_100015361967 [0,2,0,0,0,0|1,0,0]=3 395 B7R0.2 CC(=CC(=O)CF)I 1458a_100025716642_100015361967 [0,2,0,0,0,0|1,0,0]=3 396 B7R0.2 CC(=CC(C)O[13CH3])C 34a_100000717055_200025704644 [0,2,0,0,0,0|0,0,2]=4 397 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [0,2,0,0,0,0|0,0,2]=4 398 B7R0.2 CC(=O)N[C@H](C)CF 11a_100102880703_100015343762 [0,2,0,0,0,0|1,0,1]=4 399 B7R0.2 CC(=O)N[C@H](C)CF 1626a_100102880703_100015343762 [0,2,0,0,0,0|1,0,1]=4 400 B7R0.2 CC(=O)N[C@H](C)CF 240690a_100102880703_100015343762 [0,2,0,0,0,0|1,0,1]=4 401 B7R0.2 CC(=O)N[C@H](C)CF 527a_100102880703_100103153847 [0,2,0,0,0,0|1,0,1]=4 402 B7R0.2 CC(=O)N[C@H](C)CO 240690a_100000737577_100015343762 [0,2,0,0,0,0|1,0,1]=4 403 B7R0.2 CC(=O)N[C@H](C)CO 527a_100000737577_100103153847 [0,2,0,0,0,0|1,0,1]=4 404 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_100009818208_200025704644 [0,2,0,0,0,0|1,0,1]=4 405 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_200025704644_100009818208 [0,2,0,0,0,0|1,0,1]=4 406 B7R0.2 CC(C)CC(=O)CF 1458a_100000210554_100015361967 [0,2,0,0,0,0|0,0,2]=4 407 B7R0.2 CC(C)CC(=O)CO 1458a_100000210174_100000210624 [0,2,0,0,0,0|0,0,2]=4 408 B7R0.2 CC(C)NC(=O)CO 240690a_100138425928_100000210174 [0,2,0,0,0,0|1,0,1]=4 409 B7R0.2 CC(C)NC(=O)CO 527a_100138425928_100000210174 [0,2,0,0,0,0|1,0,1]=4 410 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [0,2,0,0,0,0|0,0,0]=2 411 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [0,2,0,0,0,0|0,0,0]=2 412 B7R0.2 CCC(=O)C=C(C)C 1458a_100000211388_100000210202 [0,2,0,0,0,0|0,0,0]=2 413 B7R0.2 CCC(=O)C=C(C)Cl 1458a_200042562850_100000210202 [0,2,0,0,0,0|1,0,0]=3 414 B7R0.2 CCC(=O)C=C(C)I 1458a_100025716642_100000210202 [0,2,0,0,0,0|1,0,0]=3 415 B7R0.2 CCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210202 [0,2,0,0,0,0|2,0,0]=4 416 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [0,2,0,0,0,0|1,0,1]=4 417 B7R0.2 CCC(=O)CC(=O)N 1458a_100000210414_100000187820 [0,2,0,0,0,0|1,0,1]=4 418 B7R0.2 CCC(=O)CC(=O)N 1458a_100134613110_100000210202 [0,2,0,0,0,0|1,0,1]=4 419 B7R0.2 CCC(=O)CC(=O)[O-] 1458a_100000210414_100020667443 [0,2,0,0,0,0|1,0,1]=4 420 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [0,2,0,0,0,0|0,0,2]=4 421 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [0,2,0,0,0,0|0,0,2]=4 422 B7R0.2 CCC(=O)CN(C)C 1458a_100000750896_100000210202 [0,2,0,0,0,0|1,0,1]=4 423 B7R0.2 CCC(=O)CN(C)C 269982a_100102631434_100000747405 [0,2,0,0,0,0|1,0,1]=4 424 B7R0.2 CCC(=O)C[S+](C)C 1458a_200159257847_100000210202 [0,2,0,0,0,0|1,0,1]=4 425 B7R0.2 CCC(=O)NC(C)C 11a_100138425928_100000210414 [0,2,0,0,0,0|1,0,1]=4 426 B7R0.2 CCC(=O)NC(C)C 1626a_100138425928_100000210414 [0,2,0,0,0,0|1,0,1]=4 427 B7R0.2 CCC(=O)NC(C)C 240690a_100138425928_100000210414 [0,2,0,0,0,0|1,0,1]=4 428 B7R0.2 CCC(=O)NC(C)C 527a_100138425928_100000210414 [0,2,0,0,0,0|1,0,1]=4 429 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [0,2,0,0,0,0|0,0,2]=4 430 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [0,2,0,0,0,0|0,0,2]=4 431 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [0,2,0,0,0,0|0,0,2]=4 432 B7R0.2 CCC(C)NC(=O)C 11a_100000209981_100015343762 [0,2,0,0,0,0|1,0,1]=4 433 B7R0.2 CCC(C)NC(=O)C 1626a_100000209981_100015343762 [0,2,0,0,0,0|1,0,1]=4 434 B7R0.2 CCC(C)NC(=O)C 240690a_100000209981_100015343762 [0,2,0,0,0,0|1,0,1]=4 435 B7R0.2 CCC(C)NC(=O)C 527a_100000209981_100103153847 [0,2,0,0,0,0|1,0,1]=4 436 B7R0.2 CCN(C)CC(=O)C 1458a_100116209913_200000210301 [0,2,0,0,0,0|1,0,1]=4 437 B7R0.2 CCN(C)CC(=O)N 2230a_100000225621_100000747473 [0,2,0,0,0,0|1,0,1]=4 438 B7R0.2 CCN(C)CC(=O)N 2230a_100000739694_100000210202 [0,2,0,0,0,0|1,0,1]=4 439 B7R0.2 CCN(C)CC(=O)N 269982a_100000225621_100000187820 [0,2,0,0,0,0|1,0,1]=4 440 B7R0.2 CCN(C)CC(=O)O 269956a_100000746405_200000210301 [0,2,0,0,0,0|1,0,1]=4 441 B7R0.2 CCN(C)CC(=O)O 269956a_100000746989_100000210202 [0,2,0,0,0,0|1,0,1]=4 442 B7R0.2 CCN(C)CC(=O)[13CH3] 1458a_100116209913_200025704644 [0,2,0,0,0,0|1,0,1]=4 443 B7R0.2 CCN(C)CC(=O)[O-] 269982a_100000225621_100020667443 [0,2,0,0,0,0|1,0,1]=4 444 B7R0.2 CCN([13CH3])CC(=O)O 269956a_100000746405_200025704644 [0,2,0,0,0,0|1,0,1]=4 445 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [0,2,0,0,0,0|0,0,2]=4 446 B7R0.2 CN(C)CC(=O)CF 1458a_100000750896_100015361967 [0,2,0,0,0,0|1,0,1]=4 447 B7R0.2 CN(CF)CC(=O)O 269956a_100000746989_100015361967 [0,2,0,0,0,0|1,0,1]=4 448 B7R0.2 CN(CO)CC(=O)[O-] 269956a_100016989150_200000210301 [0,2,0,0,0,0|1,0,1]=4 449 B7R0.2 CNC(=O)C=C(C)C 11a_106832991635_100000211388 [0,2,0,0,0,0|0,0,0]=2 450 B7R0.2 CNC(=O)C=C(C)C 1626a_100102657272_100000211388 [0,2,0,0,0,0|0,0,0]=2 451 B7R0.2 CNC(=O)C=C(C)C 240690a_100102657272_100000211388 [0,2,0,0,0,0|0,0,0]=2 452 B7R0.2 CNC(=O)C=C(C)Cl 11a_106832991635_200042562850 [0,2,0,0,0,0|1,0,0]=3 453 B7R0.2 CNC(=O)C=C(C)Cl 1626a_100102657272_200042562850 [0,2,0,0,0,0|1,0,0]=3 454 B7R0.2 CNC(=O)C=C(C)Cl 240690a_100102657272_200042562850 [0,2,0,0,0,0|1,0,0]=3 455 B7R0.2 CNC(=O)C=C(C)I 11a_106832991635_100025716642 [0,2,0,0,0,0|1,0,0]=3 456 B7R0.2 CNC(=O)C=C(C)I 1626a_100102657272_100025716642 [0,2,0,0,0,0|1,0,0]=3 457 B7R0.2 CNC(=O)C=C(Cl)Cl 1626a_100102657272_100000137448 [0,2,0,0,0,0|2,0,0]=4 458 B7R0.2 CNC(=O)C=C(Cl)Cl 240690a_100102657272_100000137448 [0,2,0,0,0,0|2,0,0]=4 459 B7R0.2 CNC(=O)CC(=O)C 1458a_100000070787_100000183359 [0,2,0,0,0,0|1,0,1]=4 460 B7R0.2 CNC(=O)CC(=O)N 240690a_100102657272_100134613110 [0,2,0,0,0,0|1,0,1]=4 461 B7R0.2 CNC(=O)CC(=O)N 527a_100102657272_100134613110 [0,2,0,0,0,0|1,0,1]=4 462 B7R0.2 CNC(=O)CC(C)C 11a_106832991635_100000210554 [0,2,0,0,0,0|0,0,2]=4 463 B7R0.2 CNC(=O)CC(C)C 1626a_100102657272_100000210554 [0,2,0,0,0,0|0,0,2]=4 464 B7R0.2 CNC(=O)CC(C)C 240690a_100102657272_100000210554 [0,2,0,0,0,0|0,0,2]=4 465 B7R0.2 CNC(=O)CC(C)C 527a_100102657272_100000210554 [0,2,0,0,0,0|0,0,2]=4 466 B7R0.2 CNC(=O)CN(C)C 11a_106832991635_100000750896 [0,2,0,0,0,0|1,0,1]=4 467 B7R0.2 CNC(=O)CN(C)C 2230a_100000189611_200000210301 [0,2,0,0,0,0|1,0,1]=4 468 B7R0.2 CNC(=O)CN(C)C 2230a_100102631434_100000183359 [0,2,0,0,0,0|1,0,1]=4 469 B7R0.2 CNC(=O)CN(C)C 240690a_100102657272_100000750896 [0,2,0,0,0,0|1,0,1]=4 470 B7R0.2 CNC(=O)CN(C)C 269982a_100102631434_100000183359 [0,2,0,0,0,0|1,0,1]=4 471 B7R0.2 CNC(=O)CN(C)C 527a_100102657272_100000750896 [0,2,0,0,0,0|1,0,1]=4 472 B7R0.2 CNC(=O)CN(C)[13CH3] 2230a_100000189611_200025704644 [0,2,0,0,0,0|1,0,1]=4 473 B7R0.2 CNC(=O)C[S+](C)C 11a_106832991635_200159257847 [0,2,0,0,0,0|1,0,1]=4 474 B7R0.2 CNC(=O)C[S+](C)C 1626a_100102657272_200159257847 [0,2,0,0,0,0|1,0,1]=4 475 B7R0.2 CNC(=O)C[S+](C)C 240690a_100102657272_200159257847 [0,2,0,0,0,0|1,0,1]=4 476 B7R0.2 CNC(=O)C[S+](C)C 527a_100102657272_200159257847 [0,2,0,0,0,0|1,0,1]=4 477 B7R0.2 CNC(=O)NC(C)C 2708a_100102657272_100138425928 [0,2,0,0,0,0|1,0,1]=4 478 B7R0.2 CNC(=O)NC(C)C 2708a_100138425928_106832991635 [0,2,0,0,0,0|1,0,1]=4 479 B7R0.2 CNC(=O)NC(C)C 273464a_100138425928_100102657272 [0,2,0,0,0,0|1,0,1]=4 480 B7R0.2 CNC(=O)NC(C)C 512a_100138425928_100102657272 [0,2,0,0,0,0|1,0,1]=4 481 B7R0.2 CNC(=O)NC(C)C 512a_106832991638_100138425928 [0,2,0,0,0,0|1,0,1]=4 482 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [0,2,0,0,0,0|1,0,1]=4 483 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [0,2,0,0,0,0|1,0,1]=4 484 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [0,2,0,0,0,0|1,0,1]=4 485 B7R0.2 COC(=O)CN(C)C 2230a_100000198492_200000210301 [0,2,0,0,0,0|1,0,1]=4 486 B7R0.2 COC(=O)CN(C)C 2230a_100102631434_100000747449 [0,2,0,0,0,0|1,0,1]=4 487 B7R0.2 COC(=O)CN(C)C 269982a_100102631434_100000747449 [0,2,0,0,0,0|1,0,1]=4 488 B7R0.2 COC(=O)CN(C)[13CH3] 2230a_100000198492_200025704644 [0,2,0,0,0,0|1,0,1]=4 489 B7R0.2 COC(C)C=C(C)C 34a_100000717055_200000210301 [0,2,0,0,0,0|0,0,2]=4 490 B7R0.2 CSC(C)OC(=O)C 62a_100009818208_200000210301 [0,2,0,0,0,0|1,0,1]=4 491 B7R0.2 CSC(C)OC(=O)C 62a_200000210301_100009818208 [0,2,0,0,0,0|1,0,1]=4 492 B7R0.2 C[S+](C)CC(=O)CF 1458a_200159257847_100015361967 [0,2,0,0,0,0|1,0,1]=4 493 B7R0.2 NC(=O)CC(=O)CF 1458a_100134613110_100015361967 [0,2,0,0,0,0|1,0,1]=4 494 B7R0.2 NC(=O)CC(=O)CO 1458a_100000210174_100000187820 [0,2,0,0,0,0|1,0,1]=4 495 B7R0.2 O=C(C=C(Cl)Cl)CF 1458a_100000137448_100015361967 [0,2,0,0,0,0|2,0,0]=4 496 B7R0.2 O=C([O-])CC(=O)CO 1458a_100000210174_100020667443 [0,2,0,0,0,0|1,0,1]=4 497 B7R0.2 [13CH3]N(CO)CC(=O)[O-] 269956a_100016989150_200025704644 [0,2,0,0,0,0|1,0,1]=4 498 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [0,2,0,0,0,0|2,0,0]=4 499 B7R0.3 C/C=C/CC(=O)CO 1458a_100000210174_100102629194 [0,2,0,0,0,0|2,0,0]=4 500 B7R0.3 C/C=C/CN(C)CC 269982a_100000225621_100102629194 [0,2,0,0,0,0|2,0,0]=4 501 B7R0.3 C=CC=CC(=O)CC 1458a_100016291481_100000210202 [0,2,0,0,0,0|2,0,0]=4 502 B7R0.3 C=CC=CC(=O)CF 1458a_100016291481_100015361967 [0,2,0,0,0,0|2,0,0]=4 503 B7R0.3 C=CC=CC(=O)NC 1626a_100102657272_100016291481 [0,2,0,0,0,0|2,0,0]=4 504 B7R0.3 CC(CF)OCC=O 34a_100016041109_200009817547 [0,2,0,0,0,0|0,0,2]=4 505 B7R0.3 CC(CF)OCC=O 7a_100016041109_200015260668 [0,2,0,0,0,0|0,0,2]=4 506 B7R0.3 CC(CN)OCC=O 34a_100000210904_200009817547 [0,2,0,0,0,0|0,0,2]=4 507 B7R0.3 CC(CO)SCC=O 62a_100012180447_200015260668 [0,2,0,0,0,0|0,0,2]=4 508 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [0,2,0,0,0,0|2,0,0]=4 509 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [0,2,0,0,0,0|2,0,0]=4 510 B7R0.3 CC=CCC(=O)CF 1458a_100121576822_100015361967 [0,2,0,0,0,0|2,0,0]=4 511 B7R0.3 CC=CCC(=O)CO 1458a_100000210174_100000070051 [0,2,0,0,0,0|2,0,0]=4 512 B7R0.3 CC=CCC(=O)NC 11a_106832991635_100121576822 [0,2,0,0,0,0|2,0,0]=4 513 B7R0.3 CC=CCC(=O)NC 1626a_100102657272_100121576822 [0,2,0,0,0,0|2,0,0]=4 514 B7R0.3 CC=CCC(=O)NC 240690a_100102657272_100121576822 [0,2,0,0,0,0|2,0,0]=4 515 B7R0.3 CC=CCC(=O)NC 527a_100102657272_100121576822 [0,2,0,0,0,0|2,0,0]=4 516 B7R0.3 CC=CCN(C)CC 2230a_100000225621_100000070051 [0,2,0,0,0,0|2,0,0]=4 517 B7R0.3 CCC(=O)C=COC 1458a_100016268678_100000210202 [0,2,0,0,0,0|1,0,1]=4 518 B7R0.3 CCC(C)NCC=O 2230a_100000209981_200015260668 [0,2,0,0,0,0|0,0,2]=4 519 B7R0.3 CCC(C)OCC=O 7a_100000210228_200015260668 [0,2,0,0,0,0|0,0,2]=4 520 B7R0.3 CCC(C)SCC=O 62a_100000758301_200015260668 [0,2,0,0,0,0|0,0,2]=4 521 B7R0.3 CCC(C)SCC=O 62a_200015260668_100000758301 [0,2,0,0,0,0|0,0,2]=4 522 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [0,2,0,0,0,0|2,0,0]=4 523 B7R0.3 CCC=CC(=O)CF 1458a_100000212282_100015361967 [0,2,0,0,0,0|2,0,0]=4 524 B7R0.3 CCC=CC(=O)NC 11a_106832991635_100000212282 [0,2,0,0,0,0|2,0,0]=4 525 B7R0.3 CCC=CC(=O)NC 1626a_100102657272_100000212282 [0,2,0,0,0,0|2,0,0]=4 526 B7R0.3 CCC=CC(=O)NC 240690a_100102657272_100000212282 [0,2,0,0,0,0|2,0,0]=4 527 B7R0.3 CNC(=O)C=COC 1626a_100102657272_100016268678 [0,2,0,0,0,0|1,0,1]=4 528 B7R0.3 CNC(=O)C=COC 240690a_100102657272_100016268678 [0,2,0,0,0,0|1,0,1]=4 529 B7R0.3 COC(C)SCC=O 62a_100009879195_200015260668 [0,2,0,0,0,0|0,0,2]=4 530 B7R0.3 COC(C)SCC=O 62a_200015260668_100009879195 [0,2,0,0,0,0|0,0,2]=4 531 B7R0.3 COC=CC(=O)CF 1458a_100016268678_100015361967 [0,2,0,0,0,0|1,0,1]=4 532 B7R0.3 C[C@H](CO)NCC=O 2230a_100000737577_200015260668 [0,2,0,0,0,0|0,0,2]=4 533 B7R0.3 C[C@H](CO)SCC=O 62a_100016084084_200015260668 [0,2,0,0,0,0|0,0,2]=4 534 B7R0.3 C[C@H](CO)SCC=O 62a_200015260668_100016084084 [0,2,0,0,0,0|0,0,2]=4 535 B7R0.5 C=CCC(=O)C(=C)C 1458a_100000185857_100000210623 [0,2,0,0,0,0|1,0,1]=4 536 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210193_100000210206 [0,2,0,0,0,0|1,0,1]=4 537 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210198_100000210623 [0,2,0,0,0,0|1,0,1]=4 538 B7R0.5 C=CCC(=O)N(C)C 11a_100102631434_100000210193 [0,2,0,0,0,0|2,0,0]=4 539 B7R0.5 C=CCC(=O)N(C)C 1626a_100102631434_100000210193 [0,2,0,0,0,0|2,0,0]=4 540 B7R0.5 C=CCC(=O)N(C)C 240690a_100102631434_100000210193 [0,2,0,0,0,0|2,0,0]=4 541 B7R0.5 C=CCC(=O)N(C)C 527a_100102631434_100000210193 [0,2,0,0,0,0|2,0,0]=4 542 B7R0.5 CC(C)C(=O)C=CBr 1458a_100016273825_100000210206 [0,2,0,0,0,0|1,0,1]=4 543 B7R0.5 CC(C)C(=O)C=CCl 1458a_200016279998_100000210206 [0,2,0,0,0,0|1,0,1]=4 544 B7R0.5 CC(C)C(=O)C=CI 1458a_100016256311_100000210206 [0,2,0,0,0,0|1,0,1]=4 545 B7R0.5 CC(C)N(C)CC=O 269982a_200000211004_200015260668 [0,2,0,0,0,0|0,0,2]=4 546 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [0,2,0,0,0,0|1,0,1]=4 547 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [0,2,0,0,0,0|1,0,1]=4 548 B7R0.5 CC=CC(=O)C(C)C 1458a_100000210699_100000210206 [0,2,0,0,0,0|1,0,1]=4 549 B7R0.5 CC=CC(=O)N(C)C 11a_100102631434_100000210699 [0,2,0,0,0,0|2,0,0]=4 550 B7R0.5 CC=CC(=O)N(C)C 1626a_100102631434_100000210699 [0,2,0,0,0,0|2,0,0]=4 551 B7R0.5 CC=CC(=O)N(C)C 240690a_100102631434_100000210699 [0,2,0,0,0,0|2,0,0]=4 552 B7R0.5 CN(C)C(=O)C=CBr 1626a_100102631434_100016273825 [0,2,0,0,0,0|2,0,0]=4 553 B7R0.5 CN(C)C(=O)C=CBr 240690a_100102631434_100016273825 [0,2,0,0,0,0|2,0,0]=4 554 B7R0.5 CN(C)C(=O)C=CCl 11a_100102631434_200016279998 [0,2,0,0,0,0|2,0,0]=4 555 B7R0.5 CN(C)C(=O)C=CCl 1626a_100102631434_200016279998 [0,2,0,0,0,0|2,0,0]=4 556 B7R0.5 CN(C)C(=O)C=CCl 240690a_100102631434_200016279998 [0,2,0,0,0,0|2,0,0]=4 557 B7R0.5 CN(C)C(=O)C=CI 1626a_100102631434_100016256311 [0,2,0,0,0,0|2,0,0]=4 558 B7R0.7 C#CCC(=O)C=CBr 1458a_100016273825_100000184674 [0,2,0,0,0,0|2,0,0]=4 559 B7R0.7 C#CCC(=O)C=CC 1458a_100000210699_100000184674 [0,2,0,0,0,0|2,0,0]=4 560 B7R0.7 C#CCC(=O)C=CCl 1458a_200016279998_100000184674 [0,2,0,0,0,0|2,0,0]=4 561 B7R0.7 C#CCC(=O)C=CI 1458a_100016256311_100000184674 [0,2,0,0,0,0|2,0,0]=4 562 B7R0.7 C#CCN(C)CC=O 2230a_100000225692_200015260668 [0,2,0,0,0,0|1,0,1]=4 563 B7R0.7 C#CCN(C)CC=O 34a_100000225692_200009817547 [0,2,0,0,0,0|1,0,1]=4 564 B7R0.7 C/C=C/C(C)OCC 34a_200102604097_100000210202 [0,2,0,0,0,0|1,0,1]=4 565 B7R0.7 C/C=C/C(C)OCF 34a_200102604097_100015361967 [0,2,0,0,0,0|1,0,1]=4 566 B7R0.7 C=CCC(=O)C=CBr 1458a_100016273825_100000210623 [0,2,0,0,0,0|2,0,0]=4 567 B7R0.7 C=CCC(=O)C=CC 1458a_100000210699_100000210623 [0,2,0,0,0,0|2,0,0]=4 568 B7R0.7 C=CCC(=O)C=CCl 1458a_200016279998_100000210623 [0,2,0,0,0,0|2,0,0]=4 569 B7R0.7 C=CCC(=O)C=CI 1458a_100016256311_100000210623 [0,2,0,0,0,0|2,0,0]=4 570 B7R0.7 C=CCN(C)CC=O 2230a_100000225617_200015260668 [0,2,0,0,0,0|1,0,1]=4 571 B7R0.7 C=CCN(C)CC=O 269982a_100000225617_200015260668 [0,2,0,0,0,0|1,0,1]=4 572 B7R0.7 CC=CC(=O)CC#N 1458a_100000210699_100011214920 [0,2,0,0,0,0|2,0,0]=4 573 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [0,2,0,0,0,0|2,0,0]=4 574 B7R0.7 CC=CC(=O)CCF 1458a_100000210699_100011217306 [0,2,0,0,0,0|2,0,0]=4 575 B7R0.7 CC=CC(=O)CCO 1458a_100000210699_100000211926 [0,2,0,0,0,0|2,0,0]=4 576 B7R0.7 CC=CC(=O)NCC 11a_100015525214_100000210699 [0,2,0,0,0,0|2,0,0]=4 577 B7R0.7 CC=CC(=O)NCC 240690a_100015525214_100000210699 [0,2,0,0,0,0|2,0,0]=4 578 B7R0.7 CC=CC(=O)NNC 22a_100016993582_100000210699 [0,2,0,0,0,0|2,0,0]=4 579 B7R0.7 CCCC(=O)C=CBr 1458a_100016273825_100000210303 [0,2,0,0,0,0|2,0,0]=4 580 B7R0.7 CCCC(=O)C=CCl 1458a_200016279998_100000210303 [0,2,0,0,0,0|2,0,0]=4 581 B7R0.7 CCCC(=O)C=CI 1458a_100016256311_100000210303 [0,2,0,0,0,0|2,0,0]=4 582 B7R0.7 CCCN(C)CC=O 2230a_100000747261_200015260668 [0,2,0,0,0,0|1,0,1]=4 583 B7R0.7 CCCN(C)CC=O 269982a_100000747261_200015260668 [0,2,0,0,0,0|1,0,1]=4 584 B7R0.7 CCNC(=O)C=CBr 240690a_100015525214_100016273825 [0,2,0,0,0,0|2,0,0]=4 585 B7R0.7 CCNC(=O)C=CCl 11a_100015525214_200016279998 [0,2,0,0,0,0|2,0,0]=4 586 B7R0.7 CCNC(=O)C=CCl 240690a_100015525214_200016279998 [0,2,0,0,0,0|2,0,0]=4 587 B7R0.7 CN(CC#N)CC=O 2230a_100000748184_200015260668 [0,2,0,0,0,0|1,0,1]=4 588 B7R0.7 CN(CC=O)CCO 2230a_100000210263_200015260668 [0,2,0,0,0,0|1,0,1]=4 589 B7R0.7 CN(CC=O)CCO 269982a_100000210263_200015260668 [0,2,0,0,0,0|1,0,1]=4 590 B7R0.7 N#CCC(=O)C=CBr 1458a_100016273825_100011214920 [0,2,0,0,0,0|2,0,0]=4 591 B7R0.7 N#CCC(=O)C=CCl 1458a_200016279998_100011214920 [0,2,0,0,0,0|2,0,0]=4 592 B7R0.7 N#CCC(=O)C=CI 1458a_100016256311_100011214920 [0,2,0,0,0,0|2,0,0]=4 593 B7R0.7 O=C(C=CBr)CCF 1458a_100016273825_100011217306 [0,2,0,0,0,0|2,0,0]=4 594 B7R0.7 O=C(C=CBr)CCO 1458a_100016273825_100000211926 [0,2,0,0,0,0|2,0,0]=4 595 B7R0.7 O=C(C=CCl)CCF 1458a_200016279998_100011217306 [0,2,0,0,0,0|2,0,0]=4 596 B7R0.7 O=C(C=CCl)CCO 1458a_200016279998_100000211926 [0,2,0,0,0,0|2,0,0]=4 597 B7R0.7 O=C(C=CI)CCF 1458a_100016256311_100011217306 [0,2,0,0,0,0|2,0,0]=4 598 B7R0.7 O=C(C=CI)CCO 1458a_100016256311_100000211926 [0,2,0,0,0,0|2,0,0]=4 599 B7R0.10 C/C=C(\C)/C(=O)CC 1458a_100020587367_100000210202 [0,2,0,0,0,0|1,0,1]=4 600 B7R0.10 C/C=C(\C)/C(=O)CF 1458a_100020587367_100015361967 [0,2,0,0,0,0|1,0,1]=4 601 B7R0.10 C/C=C(\C)/C(=O)NC 11a_106832991635_100020587367 [0,2,0,0,0,0|2,0,0]=4 602 B7R0.10 C/C=C(\C)/C(=O)NC 1626a_100102657272_100020587367 [0,2,0,0,0,0|2,0,0]=4 603 B7R0.10 C/C=C(\C)/C(C)NC 269862a_106832991636_100020675665 [0,2,0,0,0,0|1,0,1]=4 604 B7R0.10 C=CC(=O)C(C)CC 1458a_100000185746_100000758301 [0,2,0,0,0,0|1,0,1]=4 605 B7R0.10 C=CC(=O)N(C)CC 1626a_100000225621_100000185746 [0,2,0,0,0,0|2,0,0]=4 606 B7R0.10 C=CC(=O)N(C)CC 240690a_100000225621_200121576911 [0,2,0,0,0,0|2,0,0]=4 607 B7R0.12 CCN(CC)CC=O 2230a_100000724800_200015260668 [0,2,0,0,0,0|1,0,1]=4 608 B7R0.12 CCN(CC)CC=O 269956a_100000042499_200015260668 [0,2,0,0,0,0|1,0,1]=4 609 B7R0.12 CCN(CC)CC=O 269982a_100000724800_200015260668 [0,2,0,0,0,0|1,0,1]=4 610 B7R0.9 CC(=O)CC(C)(C)C 1458a_100000211214_200000210301 [0,2,0,0,0,0|0,0,2]=4 611 B7R0.9 CC(=O)CC(C)(C)O 1458a_100000693243_200000210301 [0,2,0,0,0,0|0,0,2]=4 612 B7R0.9 CC(=O)C[N+](C)(C)C 1458a_100000033712_200000210301 [0,2,0,0,0,0|1,0,1]=4 613 B7R0.9 CC(=O)C[Si](C)(C)C 1458a_100000070787_100000233785 [0,2,0,0,0,0|0,1,1]=4 614 B7R0.9 CC(=O)C[Si](C)(C)C 1458a_100011218504_200000210301 [0,2,0,0,0,0|0,1,1]=4 615 B7R0.9 CC(=O)NC(C)(C)C 11a_100000715429_100015343762 [0,2,0,0,0,0|1,0,1]=4 616 B7R0.9 CC(=O)NC(C)(C)C 1626a_100000715429_100015343762 [0,2,0,0,0,0|1,0,1]=4 617 B7R0.9 CC(=O)NC(C)(C)C 240690a_100000715429_100015343762 [0,2,0,0,0,0|1,0,1]=4 618 B7R0.9 CC(=O)NC(C)(C)C 527a_100000715429_100103153847 [0,2,0,0,0,0|1,0,1]=4 619 B7R0.9 CC(C)(C)CC(=O)[13CH3] 1458a_100000211214_200025704644 [0,2,0,0,0,0|0,0,2]=4 620 B7R0.9 CC(C)(O)CC(=O)[13CH3] 1458a_100000693243_200025704644 [0,2,0,0,0,0|0,0,2]=4 621 B7R0.9 C[N+](C)(C)CC(=O)[13CH3] 1458a_100000033712_200025704644 [0,2,0,0,0,0|1,0,1]=4 622 B7R0.9 C[Si](C)(C)CC(=O)[13CH3] 1458a_100011218504_200025704644 [0,2,0,0,0,0|0,1,1]=4 623 B7R0.16 C=C(Br)C(=O)N(C)C 11a_100102631434_100009813364 [0,2,0,0,0,0|2,0,0]=4 624 B7R0.16 C=C(Br)C(=O)N(C)C 1626a_100102631434_100009813364 [0,2,0,0,0,0|2,0,0]=4 625 B7R0.16 C=C(C)C(=O)C(C)C 1458a_100000185857_100000210206 [0,2,0,0,0,0|1,0,1]=4 626 B7R0.16 C=C(C)C(=O)N(C)C 11a_100102631434_100000185857 [0,2,0,0,0,0|2,0,0]=4 627 B7R0.16 C=C(C)C(=O)N(C)C 1626a_100102631434_100000185857 [0,2,0,0,0,0|2,0,0]=4 628 B7R0.16 C=C(Cl)C(=O)N(C)C 11a_100102631434_100000039160 [0,2,0,0,0,0|2,0,0]=4 629 B7R0.16 C=C(Cl)C(=O)N(C)C 1626a_100102631434_100000039160 [0,2,0,0,0,0|2,0,0]=4 630 B7R0.16 C=C(F)C(=O)N(C)C 11a_100102631434_100000036797 [0,2,0,0,0,0|2,0,0]=4 631 B7R0.16 C=C(F)C(=O)N(C)C 1626a_100102631434_100000036797 [0,2,0,0,0,0|2,0,0]=4 632 B7R0.16 CC(=O)C(=O)N(C)C 1458a_100011218876_200000210301 [0,2,0,0,0,0|1,0,0]=3 633 B7R0.16 CC(=O)C(C)C(=O)C 1458a_100000070787_100000179758 [0,2,0,0,0,0|1,0,1]=4 634 B7R0.16 CC(=O)C(C)C(=O)N 1458a_100000070787_100000702099 [0,2,0,0,0,0|1,0,1]=4 635 B7R0.16 CC(=O)C(C)C(C)C 1458a_100000755409_200000210301 [0,2,0,0,0,0|0,0,2]=4 636 B7R0.16 CC(=O)C(C)N(C)C 2230a_100102631434_100009814033 [0,2,0,0,0,0|1,0,1]=4 637 B7R0.16 CC(=O)C(C)N(C)C 269982a_100102631434_100009814033 [0,2,0,0,0,0|1,0,1]=4 638 B7R0.16 CC(=O)C(F)C(=O)N 1458a_100000070787_100009813875 [0,2,0,0,0,0|1,0,1]=4 639 B7R0.16 CC(=O)C(F)C(=O)[O-] 1458a_100000070787_100020610796 [0,2,0,0,0,0|1,0,1]=4 640 B7R0.16 CC(=O)N(C)C(C)C 11a_200000211004_100015343762 [0,2,0,0,0,0|1,0,1]=4 641 B7R0.16 CC(=O)N(C)C(C)C 1626a_200000211004_100015343762 [0,2,0,0,0,0|1,0,1]=4 642 B7R0.16 CC(=O)N(C)C(C)C 240690a_200000211004_100015343762 [0,2,0,0,0,0|1,0,1]=4 643 B7R0.16 CC(=O)N(C)C(C)C 527a_200000211004_100103153847 [0,2,0,0,0,0|1,0,1]=4 644 B7R0.16 CC(=O)[C@H](C)N(C)C 1458a_100009822176_200000210301 [0,2,0,0,0,0|1,0,1]=4 645 B7R0.16 CC(=O)[C@H](O)C(C)C 1458a_100000691806_200000210301 [0,2,0,0,0,0|0,0,2]=4 646 B7R0.16 CC(C(=O)N)N(C)C 2230a_100102631434_100000702099 [0,2,0,0,0,0|1,0,1]=4 647 B7R0.16 CC(C(=O)N)N(C)C 269982a_100102631434_100000184083 [0,2,0,0,0,0|1,0,1]=4 648 B7R0.16 CC(C(=O)O)N(C)C 269956a_100000749554_200000210301 [0,2,0,0,0,0|1,0,1]=4 649 B7R0.16 CC(C(=O)O)N(C)[13CH3] 269956a_100000749554_200025704644 [0,2,0,0,0,0|1,0,1]=4 650 B7R0.16 CC(C)C(C)C(=O)[13CH3] 1458a_100000755409_200025704644 [0,2,0,0,0,0|0,0,2]=4 651 B7R0.16 CC(C)[C@@H](O)C(=O)[13CH3] 1458a_100000691806_200025704644 [0,2,0,0,0,0|0,0,2]=4 652 B7R0.16 CN(C)C(=O)C(=O)N 240690a_100102631434_100011215815 [0,2,0,0,0,0|1,0,0]=3 653 B7R0.16 CN(C)C(=O)C(=O)[13CH3] 1458a_100011218876_200025704644 [0,2,0,0,0,0|1,0,0]=3 654 B7R0.16 CN(C)C(F)C(=O)N 2230a_100102631434_100009813875 [0,2,0,0,0,0|1,0,1]=4 655 B7R0.16 CN(C)C(F)C(=O)N 269982a_100102631434_100009813875 [0,2,0,0,0,0|1,0,1]=4 656 B7R0.16 C[C@@H](C(=O)[13CH3])N(C)C 1458a_100009822176_200025704644 [0,2,0,0,0,0|1,0,1]=4 657 B7R0.15 CN(C)C(C=O)C=O 2230a_100102631434_100000736813 [0,2,0,0,0,0|1,0,1]=4 658 B7R0.4 C/C=C/C=CC(=O)C 1458a_100000185730_200000210301 [0,2,0,0,0,0|2,0,0]=4 659 B7R0.4 C/C=C/C=CC(=O)[13CH3] 1458a_100000185730_200025704644 [0,2,0,0,0,0|2,0,0]=4 660 B7R0.4 C/C=C/CNC(C)C 34a_100138425928_100102629194 [0,2,0,0,0,0|1,0,1]=4 661 B7R0.4 C/C=C/COC(C)C 34a_100000212225_100102629194 [0,2,0,0,0,0|1,0,1]=4 662 B7R0.4 C/C=C/COC(C)C 34a_100016270725_100000210206 [0,2,0,0,0,0|1,0,1]=4 663 B7R0.4 C/C=C/CSC(C)C 62a_100000210206_100102629194 [0,2,0,0,0,0|1,0,1]=4 664 B7R0.4 C/C=C/CSC(C)C 62a_100102629194_100000210206 [0,2,0,0,0,0|1,0,1]=4 665 B7R0.4 C=C(C)COCC=O 34a_100000210245_200009817547 [0,2,0,0,0,0|0,0,2]=4 666 B7R0.4 C=C(C)CSCC=O 62a_100000748629_200015260668 [0,2,0,0,0,0|0,0,2]=4 667 B7R0.4 C=C(C)CSCC=O 62a_200015260668_100000211660 [0,2,0,0,0,0|0,0,2]=4 668 B7R0.4 CC(=CCCS[13CH3])C 62a_100011217483_200025704644 [0,2,0,0,0,0|0,1,1]=4 669 B7R0.4 CC(=CCCS[13CH3])C 62a_200025704644_100011217483 [0,2,0,0,0,0|0,1,1]=4 670 B7R0.4 CC(=CCNCF)C 34a_100000718196_100015361967 [0,2,0,0,0,0|1,0,1]=4 671 B7R0.4 CC(=CCOCF)C 34a_100000753907_100015361967 [0,2,0,0,0,0|0,0,2]=4 672 B7R0.4 CC(=CCSCF)C 62a_100000761012_100015361967 [0,2,0,0,0,0|0,1,1]=4 673 B7R0.4 CC(=CCSCF)C 62a_100015361967_100000761012 [0,2,0,0,0,0|0,1,1]=4 674 B7R0.4 CC(=O)COCC=O 34a_100000211253_200009817547 [0,2,0,0,0,0|1,0,1]=4 675 B7R0.4 CC(C)CNCC=O 2230a_100000210953_200015260668 [0,2,0,0,0,0|0,0,2]=4 676 B7R0.4 CC(C)CNCC=O 34a_100000210953_200009817547 [0,2,0,0,0,0|0,0,2]=4 677 B7R0.4 CC(C)COCC=O 34a_100000210257_200009817547 [0,2,0,0,0,0|0,0,2]=4 678 B7R0.4 CC(C)CSCC=O 62a_100000210624_200015260668 [0,2,0,0,0,0|0,0,2]=4 679 B7R0.4 CC(C)CSCC=O 62a_200015260668_100000210760 [0,2,0,0,0,0|0,0,2]=4 680 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [0,2,0,0,0,0|2,0,0]=4 681 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [0,2,0,0,0,0|2,0,0]=4 682 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [0,2,0,0,0,0|2,0,0]=4 683 B7R0.4 CC/C=C\CN(C)C 2230a_100102631434_100103147603 [0,2,0,0,0,0|2,0,0]=4 684 B7R0.4 CC/C=C\CN(C)C 269982a_100102631434_100103147603 [0,2,0,0,0,0|2,0,0]=4 685 B7R0.4 CC=CCNC(C)C 2230a_100138425928_100000070051 [0,2,0,0,0,0|1,0,1]=4 686 B7R0.4 CC=CCNC(C)C 34a_100138425928_100000070051 [0,2,0,0,0,0|1,0,1]=4 687 B7R0.4 CC=CCOC(C)C 34a_100000212225_100000070051 [0,2,0,0,0,0|1,0,1]=4 688 B7R0.4 CC=CCSC(C)C 62a_100000070051_100000210206 [0,2,0,0,0,0|1,0,1]=4 689 B7R0.4 CC=CCSC(C)C 62a_100000210206_100000070051 [0,2,0,0,0,0|1,0,1]=4 690 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [0,2,0,0,0,0|2,0,0]=4 691 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [0,2,0,0,0,0|2,0,0]=4 692 B7R0.4 CCNCC=C(C)C 2230a_100015525214_100000761012 [0,2,0,0,0,0|1,0,1]=4 693 B7R0.4 CCNCC=C(C)C 34a_100000718196_100000210202 [0,2,0,0,0,0|1,0,1]=4 694 B7R0.4 CCOC=CC(=O)C 1458a_100016266692_200000210301 [0,2,0,0,0,0|1,0,1]=4 695 B7R0.4 CCOC=CC(=O)[13CH3] 1458a_100016266692_200025704644 [0,2,0,0,0,0|1,0,1]=4 696 B7R0.4 CCOCC=C(C)C 34a_100000753907_100000210202 [0,2,0,0,0,0|0,0,2]=4 697 B7R0.4 CCOCC=C(C)C 34a_100121572206_100000761012 [0,2,0,0,0,0|0,0,2]=4 698 B7R0.4 CCSCC=C(C)C 62a_100000210202_100000761012 [0,2,0,0,0,0|0,1,1]=4 699 B7R0.4 CCSCC=C(C)C 62a_100000761012_100000210202 [0,2,0,0,0,0|0,1,1]=4 700 B7R0.4 CN(C)CCCC=O 2230a_100102631434_200011292268 [0,2,0,0,0,0|1,0,1]=4 701 B7R0.4 CN(C)CCCC=O 269982a_100102631434_200011292268 [0,2,0,0,0,0|1,0,1]=4 702 B7R0.4 CNCCC=C(C)C 2230a_106832991635_100011217483 [0,2,0,0,0,0|1,0,1]=4 703 B7R0.4 CNCCC=C(C)C 34a_100102657272_100011217483 [0,2,0,0,0,0|1,0,1]=4 704 B7R0.4 CNCCC=C(C)C 7a_106832991635_100011217483 [0,2,0,0,0,0|1,0,1]=4 705 B7R0.4 COCC=CC(=O)C 1458a_100016285016_200000210301 [0,2,0,0,0,0|1,0,1]=4 706 B7R0.4 COCC=CC(=O)[13CH3] 1458a_100016285016_200025704644 [0,2,0,0,0,0|1,0,1]=4 707 B7R0.4 COCCC=C(C)C 34a_100138415774_100011217483 [0,2,0,0,0,0|0,0,2]=4 708 B7R0.4 CSCCC=C(C)C 62a_100011217483_200000210301 [0,2,0,0,0,0|0,1,1]=4 709 B7R0.4 CSCCC=C(C)C 62a_200000210301_100011217483 [0,2,0,0,0,0|0,1,1]=4 710 B7R0.6 C=C(C)CCC(=O)C 1458a_100000070787_100000730704 [0,2,0,0,0,0|0,0,2]=4 711 B7R0.6 C=C(C)CCC(=O)C 1458a_200000688413_200000210301 [0,2,0,0,0,0|0,0,2]=4 712 B7R0.6 C=C(C)CCC(=O)[13CH3] 1458a_200000688413_200025704644 [0,2,0,0,0,0|0,0,2]=4 713 B7R0.6 C=C(C)CNC(=O)C 11a_100000765925_100015343762 [0,2,0,0,0,0|0,0,2]=4 714 B7R0.6 C=C(C)CNC(=O)C 1626a_100000765925_100015343762 [0,2,0,0,0,0|0,0,2]=4 715 B7R0.6 C=C(C)CNC(=O)C 240690a_100000765925_100015343762 [0,2,0,0,0,0|0,0,2]=4 716 B7R0.6 C=C(C)CNC(=O)C 527a_100000765925_100103153847 [0,2,0,0,0,0|0,0,2]=4 717 B7R0.6 CC(=CCC(=O)[13CH3])C 1458a_100011220947_200025704644 [0,2,0,0,0,0|0,0,0]=2 718 B7R0.6 CC(=CCN(C)C)C 2230a_100102631434_100000761012 [0,2,0,0,0,0|1,0,1]=4 719 B7R0.6 CC(=CCN(C)C)C 269982a_100102631434_100000761012 [0,2,0,0,0,0|1,0,1]=4 720 B7R0.6 CC(=O)C=CC(C)C 1458a_100016268746_200000210301 [0,2,0,0,0,0|0,0,1]=3 721 B7R0.6 CC(=O)CC=C(C)C 1458a_100000070787_100000761012 [0,2,0,0,0,0|0,0,0]=2 722 B7R0.6 CC(=O)CC=C(C)C 1458a_100011220947_200000210301 [0,2,0,0,0,0|0,0,0]=2 723 B7R0.6 CC(=O)CCC(=O)N 1458a_100011215257_200000210301 [0,2,0,0,0,0|1,0,1]=4 724 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [0,2,0,0,0,0|0,0,2]=4 725 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [0,2,0,0,0,0|0,0,2]=4 726 B7R0.6 CC(=O)CCN(C)C 269982a_100102631434_100000053229 [0,2,0,0,0,0|1,0,1]=4 727 B7R0.6 CC(=O)CC[S+](C)C 1458a_100009452791_200000210301 [0,2,0,0,0,0|1,0,1]=4 728 B7R0.6 CC(=O)CNC(=O)C 1458a_100000194580_200000210301 [0,2,0,0,0,0|1,0,1]=4 729 B7R0.6 CC(=O)CNC(=O)N 1458a_100000184981_200000210301 [0,2,0,0,0,0|1,0,1]=4 730 B7R0.6 CC(=O)COC(=O)C 1458a_100000183556_200000210301 [0,2,0,0,0,0|1,0,1]=4 731 B7R0.6 CC(=O)COC(C)C 1458a_100000745533_200000210301 [0,2,0,0,0,0|0,0,2]=4 732 B7R0.6 CC(=O)COC(C)C 34a_100000211253_100000210206 [0,2,0,0,0,0|0,0,2]=4 733 B7R0.6 CC(=O)CSC(=O)C 1458a_100000049016_200000210301 [0,2,0,0,0,0|1,0,1]=4 734 B7R0.6 CC(=O)CSC(C)C 1458a_100000241585_200000210301 [0,2,0,0,0,0|0,0,2]=4 735 B7R0.6 CC(=O)NCC(=O)N 11a_100000711301_100015343762 [0,2,0,0,0,0|1,0,1]=4 736 B7R0.6 CC(=O)NCC(=O)N 240690a_100000711301_100015343762 [0,2,0,0,0,0|1,0,1]=4 737 B7R0.6 CC(=O)NCC(=O)N 527a_100000711301_100103153847 [0,2,0,0,0,0|1,0,1]=4 738 B7R0.6 CC(=O)NCC(=O)[13CH3] 1458a_100000194580_200025704644 [0,2,0,0,0,0|1,0,1]=4 739 B7R0.6 CC(=O)NCC(C)C 11a_100000210953_100015343762 [0,2,0,0,0,0|0,0,2]=4 740 B7R0.6 CC(=O)NCC(C)C 1626a_100000210953_100015343762 [0,2,0,0,0,0|0,0,2]=4 741 B7R0.6 CC(=O)NCC(C)C 240690a_100000210953_100015343762 [0,2,0,0,0,0|0,0,2]=4 742 B7R0.6 CC(=O)NCC(C)C 527a_100000210953_100103153847 [0,2,0,0,0,0|0,0,2]=4 743 B7R0.6 CC(=O)NNC(=O)C 22a_100000189765_100000070787 [0,2,0,0,0,0|2,0,0]=4 744 B7R0.6 CC(=O)NNC(C)C 22a_100000741168_100000070787 [0,2,0,0,0,0|1,0,1]=4 745 B7R0.6 CC(=O)OCC(=O)[13CH3] 1458a_100000183556_200025704644 [0,2,0,0,0,0|1,0,1]=4 746 B7R0.6 CC(=O)OCN(C)C 269982a_100102631434_100000076356 [0,2,0,0,0,0|1,0,1]=4 747 B7R0.6 CC(=O)SCC(=O)[13CH3] 1458a_100000049016_200025704644 [0,2,0,0,0,0|1,0,1]=4 748 B7R0.6 CC(C)C=CC(=O)[13CH3] 1458a_100016268746_200025704644 [0,2,0,0,0,0|0,0,1]=3 749 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [0,2,0,0,0,0|0,0,2]=4 750 B7R0.6 CC(C)NCC(=O)N 2230a_100000711301_100000210206 [0,2,0,0,0,0|0,0,2]=4 751 B7R0.6 CC(C)NCC(=O)N 2230a_100138425928_100000747473 [0,2,0,0,0,0|0,0,2]=4 752 B7R0.6 CC(C)NCC(=O)N 34a_100138425928_100000187820 [0,2,0,0,0,0|0,0,2]=4 753 B7R0.6 CC(C)NCC(=O)O 269956a_100016091260_100000210206 [0,2,0,0,0,0|0,0,2]=4 754 B7R0.6 CC(C)NCC(=O)[O-] 34a_100138425928_100020667443 [0,2,0,0,0,0|0,0,2]=4 755 B7R0.6 CC(C)OCC(=O)N 34a_100000212225_100000187820 [0,2,0,0,0,0|0,0,2]=4 756 B7R0.6 CC(C)OCC(=O)[13CH3] 1458a_100000745533_200025704644 [0,2,0,0,0,0|0,0,2]=4 757 B7R0.6 CC(C)OCC(=O)[O-] 34a_100000212225_100020667443 [0,2,0,0,0,0|0,0,2]=4 758 B7R0.6 CC(C)SCC(=O)N 62a_100000210206_100000747473 [0,2,0,0,0,0|0,0,2]=4 759 B7R0.6 CC(C)SCC(=O)N 62a_100000747473_100000210206 [0,2,0,0,0,0|0,0,2]=4 760 B7R0.6 CC(C)SCC(=O)[13CH3] 1458a_100000241585_200025704644 [0,2,0,0,0,0|0,0,2]=4 761 B7R0.6 CC(C)SCC(=O)[O-] 62a_100000210206_100020667443 [0,2,0,0,0,0|0,0,2]=4 762 B7R0.6 CC(C)SCC(=O)[O-] 62a_100020667443_100000210206 [0,2,0,0,0,0|0,0,2]=4 763 B7R0.6 CN(C)CCC(=O)N 2230a_100000730477_200000210301 [0,2,0,0,0,0|1,0,1]=4 764 B7R0.6 CN(C)CCC(=O)N 2230a_100102631434_100000744528 [0,2,0,0,0,0|1,0,1]=4 765 B7R0.6 CN(C)CCC(=O)N 269982a_100102631434_100000744528 [0,2,0,0,0,0|1,0,1]=4 766 B7R0.6 CN([13CH3])CCC(=O)N 2230a_100000730477_200025704644 [0,2,0,0,0,0|1,0,1]=4 767 B7R0.6 C[S+](C)CCC(=O)[13CH3] 1458a_100009452791_200025704644 [0,2,0,0,0,0|1,0,1]=4 768 B7R0.6 [13CH3]C(=O)CCC(=O)N 1458a_100011215257_200025704644 [0,2,0,0,0,0|1,0,1]=4 769 B7R0.6 [13CH3]C(=O)CNC(=O)N 1458a_100000184981_200025704644 [0,2,0,0,0,0|1,0,1]=4 770 B7R0.8 CC(C)(C)NCC=O 2230a_100000715429_200015260668 [0,2,0,0,0,0|0,0,2]=4 771 B7R0.8 CC(C)(C)OCC=O 34a_100015890283_200009817547 [0,2,0,0,0,0|0,0,2]=4 772 B7R0.8 CC(C)(C)OCC=O 7a_100015890283_200015260668 [0,2,0,0,0,0|0,0,2]=4 773 B7R0.8 CC(C)(C)SCC=O 62a_100000211941_200015260668 [0,2,0,0,0,0|0,0,2]=4 774 B7R0.8 CC(C)(C)SCC=O 62a_200015260668_100000211941 [0,2,0,0,0,0|0,0,2]=4 775 B7R1.1 COc1ccsc1 34a_100000106738_200000210301 [0,1,0,1,0,0|0,1,1]=4 776 B7R1.1 COc1ccsc1 7a_100000106738_200000210301 [0,1,0,1,0,0|0,1,1]=4 777 B7R1.1 CSc1cc[nH]n1 62a_100000062575_200000210301 [0,1,0,1,0,0|2,0,0]=4 778 B7R1.1 CSc1cc[nH]n1 62a_200000210301_100000062575 [0,1,0,1,0,0|2,0,0]=4 779 B7R1.1 CSc1ccco1 62a_100009814098_200000210301 [0,1,0,1,0,0|2,0,0]=4 780 B7R1.1 CSc1ccco1 62a_200000210301_100009814098 [0,1,0,1,0,0|2,0,0]=4 781 B7R1.1 CSc1cccs1 62a_100011215356_200000210301 [0,1,0,1,0,0|2,0,0]=4 782 B7R1.1 CSc1cccs1 62a_200000210301_100011215356 [0,1,0,1,0,0|2,0,0]=4 783 B7R1.1 CSc1ccoc1 62a_100011215275_200000210301 [0,1,0,1,0,0|0,0,2]=4 784 B7R1.1 CSc1ccoc1 62a_200000210301_100011215275 [0,1,0,1,0,0|0,0,2]=4 785 B7R1.1 CSc1ccon1 62a_100009818083_200000210301 [0,1,0,1,0,0|1,0,1]=4 786 B7R1.1 CSc1ccon1 62a_200000210301_100009818083 [0,1,0,1,0,0|1,0,1]=4 787 B7R1.1 CSc1ccsc1 62a_100000738268_200000210301 [0,1,0,1,0,0|0,1,1]=4 788 B7R1.1 CSc1ccsc1 62a_200000210301_100000738268 [0,1,0,1,0,0|0,1,1]=4 789 B7R1.1 CSc1ccsn1 62a_100009818082_200000210301 [0,1,0,1,0,0|1,1,0]=4 790 B7R1.1 CSc1ccsn1 62a_200000210301_100009818082 [0,1,0,1,0,0|1,1,0]=4 791 B7R1.1 [13CH3]Oc1ccsc1 34a_100000106738_200025704644 [0,1,0,1,0,0|0,1,1]=4 792 B7R1.1 [13CH3]Oc1ccsc1 7a_100000106738_200025704644 [0,1,0,1,0,0|0,1,1]=4 793 B7R1.1 [13CH3]Sc1cc[nH]n1 62a_100000062575_200025704644 [0,1,0,1,0,0|2,0,0]=4 794 B7R1.1 [13CH3]Sc1cc[nH]n1 62a_200025704644_100000062575 [0,1,0,1,0,0|2,0,0]=4 795 B7R1.1 [13CH3]Sc1ccco1 62a_100009814098_200025704644 [0,1,0,1,0,0|2,0,0]=4 796 B7R1.1 [13CH3]Sc1ccco1 62a_200025704644_100009814098 [0,1,0,1,0,0|2,0,0]=4 797 B7R1.1 [13CH3]Sc1cccs1 62a_100011215356_200025704644 [0,1,0,1,0,0|2,0,0]=4 798 B7R1.1 [13CH3]Sc1cccs1 62a_200025704644_100011215356 [0,1,0,1,0,0|2,0,0]=4 799 B7R1.1 [13CH3]Sc1ccoc1 62a_100011215275_200025704644 [0,1,0,1,0,0|0,0,2]=4 800 B7R1.1 [13CH3]Sc1ccoc1 62a_200025704644_100011215275 [0,1,0,1,0,0|0,0,2]=4 801 B7R1.1 [13CH3]Sc1ccon1 62a_100009818083_200025704644 [0,1,0,1,0,0|1,0,1]=4 802 B7R1.1 [13CH3]Sc1ccon1 62a_200025704644_100009818083 [0,1,0,1,0,0|1,0,1]=4 803 B7R1.1 [13CH3]Sc1ccsc1 62a_100000738268_200025704644 [0,1,0,1,0,0|0,1,1]=4 804 B7R1.1 [13CH3]Sc1ccsc1 62a_200025704644_100000738268 [0,1,0,1,0,0|0,1,1]=4 805 B7R1.1 [13CH3]Sc1ccsn1 62a_100009818082_200025704644 [0,1,0,1,0,0|1,1,0]=4 806 B7R1.1 [13CH3]Sc1ccsn1 62a_200025704644_100009818082 [0,1,0,1,0,0|1,1,0]=4 807 B7R1.2 CN1CNC(=O)C1 2230a_200000708111_200000210301 [0,1,0,1,0,0|1,0,1]=4 808 B7R1.2 Cc1c[nH]c(n1)O 271570a_203496583355_100161115468 [0,1,0,1,0,0|1,0,1]=4 809 B7R1.2 Cc1cc(cs1)O 271570a_203496583355_100000759034 [0,1,0,1,0,0|0,0,2]=4 810 B7R1.2 Cc1cc(n[nH]1)O 271570a_203496583355_100015199547 [0,1,0,1,0,0|1,0,1]=4 811 B7R1.2 Cc1cc(sn1)O 271570a_203496583355_100009815735 [0,1,0,1,0,0|1,0,1]=4 812 B7R1.2 Cc1ccc(s1)O 271570a_203496583355_100000761539 [0,1,0,1,0,0|1,0,1]=4 813 B7R1.2 Cc1cnc(s1)O 271570a_203496583355_100000690809 [0,1,0,1,0,0|1,0,1]=4 814 B7R1.2 Cc1csc(c1)O 271570a_203496583355_100009876951 [0,1,0,1,0,0|0,0,2]=4 815 B7R1.2 Cc1csc(n1)O 271570a_203496583355_100011291629 [0,1,0,1,0,0|1,0,1]=4 816 B7R1.2 Cc1nc(c[nH]1)O 271570a_203496583355_100009814057 [0,1,0,1,0,0|1,0,1]=4 817 B7R1.2 Cc1nc(cs1)O 271570a_203496583355_100011934587 [0,1,0,1,0,0|1,0,1]=4 818 B7R1.2 Cc1ncc(s1)O 271570a_203496583355_100000764884 [0,1,0,1,0,0|1,0,1]=4 819 B7R1.2 [13CH3]N1CNC(=O)C1 2230a_200000708111_200025704644 [0,1,0,1,0,0|1,0,1]=4 820 B7R1.3 CN1CC=CCC1 2230a_100000698166_200000210301 [0,1,0,1,0,0|2,0,0]=4 821 B7R1.3 CN1CC=CCC1 269982a_100000698166_200000210301 [0,1,0,1,0,0|2,0,0]=4 822 B7R1.3 CN1CC=CCC1 34a_100000698166_200000210301 [0,1,0,1,0,0|2,0,0]=4 823 B7R1.3 [13CH3]N1CC=CCC1 2230a_100000698166_200025704644 [0,1,0,1,0,0|2,0,0]=4 824 B7R1.3 [13CH3]N1CC=CCC1 269982a_100000698166_200025704644 [0,1,0,1,0,0|2,0,0]=4 825 B7R1.3 [13CH3]N1CC=CCC1 34a_100000698166_200025704644 [0,1,0,1,0,0|2,0,0]=4 826 B7R1.4 Cc1ccsc1O 271570a_203496583355_100000742657 [0,1,0,1,0,0|0,1,1]=4 827 B7R1.4 Cc1cscc1O 271570a_203496583355_100000759966 [0,1,0,1,0,0|0,1,1]=4 828 B7R1.4 Cc1n[nH]cc1O 271570a_203496583355_100011912673 [0,1,0,1,0,0|2,0,0]=4 829 B7R1.4 Cc1oncc1O 271570a_203496583355_100009872056 [0,1,0,1,0,0|2,0,0]=4 830 B7R1.4 Cc1sccc1O 271570a_203496583355_100000684487 [0,1,0,1,0,0|1,1,0]=4 831 B7R1.4 Cn1nccc1O 271570a_203496583355_100000688441 [0,1,0,1,0,0|2,0,0]=4 832 B7R1.6 O=CCN1CCC1 269982a_100000754969_200015260668 [0,1,0,1,0,0|1,0,1]=4 833 B7R1.10 CSC1CC(=O)C1 62a_100009894365_200000210301 [0,1,0,1,0,0|0,0,2]=4 834 B7R1.10 [13CH3]SC1CC(=O)C1 62a_100009894365_200025704644 [0,1,0,1,0,0|0,0,2]=4 835 B7R1.12 CC(=O)C1CC1C 1458a_100000211227_200000210301 [0,1,0,1,0,0|0,0,2]=4 836 B7R1.12 CC1CC1C(=O)[13CH3] 1458a_100000211227_200025704644 [0,1,0,1,0,0|0,0,2]=4 837 B7R1.20 CC(=O)CC1CC1 1458a_100000070787_100000742324 [0,1,0,1,0,0|0,0,2]=4 838 B7R1.20 CC(=O)CC1CC1 1458a_100000738066_200000210301 [0,1,0,1,0,0|0,0,2]=4 839 B7R1.20 CC(=O)NC1CC1 1626a_100000212008_100015343762 [0,1,0,1,0,0|1,0,1]=4 840 B7R1.20 CC(=O)NC1CC1 240690a_100000212008_100015343762 [0,1,0,1,0,0|1,0,1]=4 841 B7R1.20 CC(=O)NC1CC1 527a_100000212008_100103153847 [0,1,0,1,0,0|1,0,1]=4 842 B7R1.20 [13CH3]C(=O)CC1CC1 1458a_100000738066_200025704644 [0,1,0,1,0,0|0,0,2]=4 843 B7R1.7 O=CCNC1CC1 34a_100000212008_200009817547 [0,1,0,1,0,0|0,0,2]=4 844 B7R1.7 O=CCSC1CC1 62a_200015260668_100000211595 [0,1,0,1,0,0|0,0,2]=4