0 B5R0.1 C#CCC(=O)C 1458a_100000070787_100000184674 [0,0,0,0,0,0|1,0,1]=2 1 B5R0.1 C#CCC(=O)C 1458a_100011220946_200000210301 [0,0,0,0,0,0|1,0,1]=2 2 B5R0.1 C#CCC(=O)[13CH3] 1458a_100011220946_200025704644 [0,0,0,0,0,0|1,0,1]=2 3 B5R0.1 C#CCN(C)C 2230a_100000225692_200000210301 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.1 C#CCN(C)C 2230a_100102631434_100000038162 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.1 C#CCN(C)C 34a_100000225692_200000210301 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.1 C#CCN(C)[13CH3] 2230a_100000225692_200025704644 [0,0,0,0,0,0|3,0,1]=4 7 B5R0.1 C#CCN(C)[13CH3] 34a_100000225692_200025704644 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [0,0,0,0,0,0|3,0,0]=3 9 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [0,0,0,0,0,0|3,0,0]=3 10 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [0,0,0,0,0,0|3,0,0]=3 11 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [0,0,0,0,0,0|3,0,0]=3 12 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [0,0,0,0,0,0|3,0,0]=3 13 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [0,0,0,0,0,0|3,0,0]=3 14 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [0,0,0,0,0,0|3,0,0]=3 15 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [0,0,0,0,0,0|3,0,0]=3 16 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [0,0,0,0,0,0|3,0,0]=3 17 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [0,0,0,0,0,0|3,0,0]=3 18 B5R0.1 C=C(F)CNC 2230a_106832991635_100009893438 [0,0,0,0,0,0|3,0,1]=4 19 B5R0.1 C=C(F)CNC 34a_100102657272_100009893438 [0,0,0,0,0,0|3,0,1]=4 20 B5R0.1 C=C(F)CNC 7a_106832991635_100000042424 [0,0,0,0,0,0|3,0,1]=4 21 B5R0.1 C=C(F)COC 34a_100138415774_100009893438 [0,0,0,0,0,0|3,0,1]=4 22 B5R0.1 C=C(F)COC 34a_200010262243_200000210301 [0,0,0,0,0,0|3,0,1]=4 23 B5R0.1 C=C(F)CO[13CH3] 34a_200010262243_200025704644 [0,0,0,0,0,0|3,0,1]=4 24 B5R0.1 C=C(F)CSC 62a_100000042424_200000210301 [0,0,0,0,0,0|3,0,1]=4 25 B5R0.1 C=C(F)CSC 62a_200000210301_100000042424 [0,0,0,0,0,0|3,0,1]=4 26 B5R0.1 C=C(F)CS[13CH3] 62a_100000042424_200025704644 [0,0,0,0,0,0|3,0,1]=4 27 B5R0.1 C=C(F)CS[13CH3] 62a_200025704644_100000042424 [0,0,0,0,0,0|3,0,1]=4 28 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [0,0,0,0,0,0|1,0,1]=2 29 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [0,0,0,0,0,0|1,0,1]=2 30 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [0,0,0,0,0,0|1,0,1]=2 31 B5R0.1 C=CCN(C)C 2230a_100000225617_200000210301 [0,0,0,0,0,0|3,0,1]=4 32 B5R0.1 C=CCN(C)C 2230a_100102631434_100000210623 [0,0,0,0,0,0|3,0,1]=4 33 B5R0.1 C=CCN(C)C 269982a_100000225617_200000210301 [0,0,0,0,0,0|3,0,1]=4 34 B5R0.1 C=CCN(C)C 269982a_100102631434_100000210623 [0,0,0,0,0,0|3,0,1]=4 35 B5R0.1 C=CCN(C)[13CH3] 2230a_100000225617_200025704644 [0,0,0,0,0,0|3,0,1]=4 36 B5R0.1 C=CCN(C)[13CH3] 269982a_100000225617_200025704644 [0,0,0,0,0,0|3,0,1]=4 37 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [0,0,0,0,0,0|1,0,2]=3 38 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [0,0,0,0,0,0|1,0,2]=3 39 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [0,0,0,0,0,0|1,0,2]=3 40 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [0,0,0,0,0,0|1,0,2]=3 41 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [0,0,0,0,0,0|1,0,2]=3 42 B5R0.1 CC(=O)CC#N 1458a_100000070787_100011214920 [0,0,0,0,0,0|1,0,1]=2 43 B5R0.1 CC(=O)CC#N 1458a_100051588842_200000210301 [0,0,0,0,0,0|1,0,1]=2 44 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [0,0,0,0,0,0|1,0,0]=1 45 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [0,0,0,0,0,0|0,0,0]=0 46 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [0,0,0,0,0,0|0,0,0]=0 47 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [0,0,0,0,0,0|2,0,0]=2 48 B5R0.1 CC(Br)CO[13CH3] 34a_100012180447_200025704644 [0,0,0,0,0,0|3,0,1]=4 49 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [0,0,0,0,0,0|3,0,1]=4 50 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [0,0,0,0,0,0|3,0,1]=4 51 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [0,0,0,0,0,0|3,0,1]=4 52 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [0,0,0,0,0,0|3,0,1]=4 53 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [0,0,0,0,0,0|3,0,1]=4 54 B5R0.1 CC(C)NCF 34a_100138425928_100015361967 [0,0,0,0,0,0|3,0,1]=4 55 B5R0.1 CC(C)OCF 34a_100000212225_100015361967 [0,0,0,0,0,0|3,0,1]=4 56 B5R0.1 CC(C)SCF 62a_100000210206_100015361967 [0,0,0,0,0,0|3,0,1]=4 57 B5R0.1 CC(C)SCF 62a_100015361967_100000210206 [0,0,0,0,0,0|3,0,1]=4 58 B5R0.1 CC(F)CO[13CH3] 34a_100015925927_200025704644 [0,0,0,0,0,0|3,0,1]=4 59 B5R0.1 CC(O)CN[13CH3] 2230a_100000210904_200025704644 [0,0,0,0,0,0|2,0,2]=4 60 B5R0.1 CC(O)CN[13CH3] 34a_100000210904_200025704644 [0,0,0,0,0,0|2,0,2]=4 61 B5R0.1 CC(O)CS[13CH3] 62a_100011218427_200025704644 [0,0,0,0,0,0|2,0,2]=4 62 B5R0.1 CC(O)CS[13CH3] 62a_200025704644_100011218427 [0,0,0,0,0,0|2,0,2]=4 63 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [0,0,0,0,0,0|1,0,2]=3 64 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [0,0,0,0,0,0|1,0,2]=3 65 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [0,0,0,0,0,0|1,0,0]=1 66 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [0,0,0,0,0,0|1,0,0]=1 67 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [0,0,0,0,0,0|1,0,0]=1 68 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [0,0,0,0,0,0|3,0,0]=3 69 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [0,0,0,0,0,0|3,0,0]=3 70 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [0,0,0,0,0,0|3,0,0]=3 71 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [0,0,0,0,0,0|3,0,0]=3 72 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [0,0,0,0,0,0|3,0,0]=3 73 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [0,0,0,0,0,0|3,0,0]=3 74 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [0,0,0,0,0,0|2,0,0]=2 75 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [0,0,0,0,0,0|2,0,0]=2 76 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [0,0,0,0,0,0|2,0,0]=2 77 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [0,0,0,0,0,0|3,0,1]=4 78 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [0,0,0,0,0,0|3,0,1]=4 79 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [0,0,0,0,0,0|3,0,1]=4 80 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [0,0,0,0,0,0|3,0,1]=4 81 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [0,0,0,0,0,0|3,0,1]=4 82 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [0,0,0,0,0,0|3,0,1]=4 83 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [0,0,0,0,0,0|3,0,1]=4 84 B5R0.1 CN(C)CC#N 2230a_100000748184_200000210301 [0,0,0,0,0,0|3,0,1]=4 85 B5R0.1 CN(C)CC#N 2230a_100102631434_100011215382 [0,0,0,0,0,0|3,0,1]=4 86 B5R0.1 CN(C)CC#N 269982a_100102631434_100011214920 [0,0,0,0,0,0|3,0,1]=4 87 B5R0.1 CN(C)CC=O 2230a_100102631434_200015260668 [0,0,0,0,0,0|2,0,2]=4 88 B5R0.1 CN(C)CC=O 269982a_100102631434_200015260668 [0,0,0,0,0,0|2,0,2]=4 89 B5R0.1 CN(C)CCF 2230a_100102631434_100011217306 [0,0,0,0,0,0|3,0,0]=3 90 B5R0.1 CN(C)CCF 269982a_100102631434_100011217306 [0,0,0,0,0,0|3,0,0]=3 91 B5R0.1 CN(C)CCO 2230a_100000210263_200000210301 [0,0,0,0,0,0|2,0,0]=2 92 B5R0.1 CN(C)CCO 2230a_100102631434_100000211926 [0,0,0,0,0,0|2,0,0]=2 93 B5R0.1 CN(C)CCO 269982a_100000210263_200000210301 [0,0,0,0,0,0|2,0,0]=2 94 B5R0.1 CN(C)CCO 269982a_100102631434_100000211926 [0,0,0,0,0,0|2,0,0]=2 95 B5R0.1 CN([13CH3])CC#N 2230a_100000748184_200025704644 [0,0,0,0,0,0|3,0,1]=4 96 B5R0.1 CN([13CH3])CCO 2230a_100000210263_200025704644 [0,0,0,0,0,0|2,0,0]=2 97 B5R0.1 CN([13CH3])CCO 269982a_100000210263_200025704644 [0,0,0,0,0,0|2,0,0]=2 98 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [0,0,0,0,0,0|3,0,0]=3 99 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [0,0,0,0,0,0|3,0,0]=3 100 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [0,0,0,0,0,0|3,0,0]=3 101 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [0,0,0,0,0,0|3,0,0]=3 102 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [0,0,0,0,0,0|3,0,0]=3 103 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [0,0,0,0,0,0|3,0,0]=3 104 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [0,0,0,0,0,0|3,0,1]=4 105 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [0,0,0,0,0,0|3,0,1]=4 106 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [0,0,0,0,0,0|3,0,1]=4 107 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [0,0,0,0,0,0|3,0,1]=4 108 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [0,0,0,0,0,0|3,0,1]=4 109 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [0,0,0,0,0,0|3,0,1]=4 110 B5R0.1 CNCC(C)O 2230a_100000210904_200000210301 [0,0,0,0,0,0|2,0,2]=4 111 B5R0.1 CNCC(C)O 2230a_106832991635_100011218427 [0,0,0,0,0,0|2,0,2]=4 112 B5R0.1 CNCC(C)O 34a_100000210904_200000210301 [0,0,0,0,0,0|2,0,2]=4 113 B5R0.1 CNCC(C)O 34a_100102657272_100011218427 [0,0,0,0,0,0|2,0,2]=4 114 B5R0.1 CNCC(C)O 7a_106832991635_100011218427 [0,0,0,0,0,0|2,0,2]=4 115 B5R0.1 CNC[C@@H](C)O 2230a_106832991635_100009817552 [0,0,0,0,0,0|2,0,2]=4 116 B5R0.1 CNC[C@@H](C)O 34a_100102657272_100009817552 [0,0,0,0,0,0|2,0,2]=4 117 B5R0.1 CNC[C@@H](C)O 7a_106832991635_100009817552 [0,0,0,0,0,0|2,0,2]=4 118 B5R0.1 CNC[N+](=O)[O-] 34a_100102657272_100000761209 [0,0,0,0,0,0|4,0,0]=4 119 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [0,0,0,0,0,0|3,0,0]=3 120 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [0,0,0,0,0,0|2,0,0]=2 121 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [0,0,0,0,0,0|2,0,0]=2 122 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [0,0,0,0,0,0|3,0,0]=3 123 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [0,0,0,0,0,0|2,0,0]=2 124 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [0,0,0,0,0,0|3,0,0]=3 125 B5R0.1 COCC(C)Br 34a_100012180447_200000210301 [0,0,0,0,0,0|3,0,1]=4 126 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [0,0,0,0,0,0|3,0,1]=4 127 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [0,0,0,0,0,0|3,0,1]=4 128 B5R0.1 COCC(C)F 34a_100015925927_200000210301 [0,0,0,0,0,0|3,0,1]=4 129 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [0,0,0,0,0,0|2,0,2]=4 130 B5R0.1 COCN(C)C 2230a_100102631434_100000766300 [0,0,0,0,0,0|4,0,0]=4 131 B5R0.1 COCN(C)C 269982a_100102631434_100000766300 [0,0,0,0,0,0|4,0,0]=4 132 B5R0.1 COC[C@@H](C)Cl 34a_100016084084_200000210301 [0,0,0,0,0,0|3,0,1]=4 133 B5R0.1 COC[C@@H](C)N 34a_100000737577_200000210301 [0,0,0,0,0,0|3,0,1]=4 134 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [0,0,0,0,0,0|2,0,2]=4 135 B5R0.1 COC[N+](=O)[O-] 34a_100138415774_100000761209 [0,0,0,0,0,0|4,0,0]=4 136 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [0,0,0,0,0,0|2,0,0]=2 137 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [0,0,0,0,0,0|3,0,0]=3 138 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [0,0,0,0,0,0|3,0,0]=3 139 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [0,0,0,0,0,0|2,0,0]=2 140 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [0,0,0,0,0,0|3,0,0]=3 141 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [0,0,0,0,0,0|3,0,0]=3 142 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [0,0,0,0,0,0|3,0,1]=4 143 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [0,0,0,0,0,0|3,0,1]=4 144 B5R0.1 CSCC(C)O 62a_100011218427_200000210301 [0,0,0,0,0,0|2,0,2]=4 145 B5R0.1 CSCC(C)O 62a_200000210301_100011218427 [0,0,0,0,0,0|2,0,2]=4 146 B5R0.1 CSCN(C)C 2230a_100102631434_100011218213 [0,0,0,0,0,0|4,0,0]=4 147 B5R0.1 CSCN(C)C 269982a_100102631434_100011218213 [0,0,0,0,0,0|4,0,0]=4 148 B5R0.1 CSC[C@@H](C)O 62a_100009817552_200000210301 [0,0,0,0,0,0|2,0,2]=4 149 B5R0.1 CSC[C@@H](C)O 62a_200000210301_100009817552 [0,0,0,0,0,0|2,0,2]=4 150 B5R0.1 CSC[N+](=O)[O-] 62a_200000210301_100000761209 [0,0,0,0,0,0|4,0,0]=4 151 B5R0.1 C[C@@H](Cl)CO[13CH3] 34a_100016084084_200025704644 [0,0,0,0,0,0|3,0,1]=4 152 B5R0.1 C[C@@H](N)CO[13CH3] 34a_100000737577_200025704644 [0,0,0,0,0,0|3,0,1]=4 153 B5R0.1 C[C@@H](O)CS[13CH3] 62a_100009817552_200025704644 [0,0,0,0,0,0|2,0,2]=4 154 B5R0.1 C[C@@H](O)CS[13CH3] 62a_200025704644_100009817552 [0,0,0,0,0,0|2,0,2]=4 155 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [0,0,0,0,0,0|1,0,2]=3 156 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [0,0,0,0,0,0|1,0,2]=3 157 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [0,0,0,0,0,0|1,0,2]=3 158 B5R0.1 [13CH3]C(=O)CC#N 1458a_100051588842_200025704644 [0,0,0,0,0,0|1,0,1]=2 159 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [0,0,0,0,0,0|0,0,0]=0 160 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [0,0,0,0,0,0|3,0,0]=3 161 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [0,0,0,0,0,0|3,0,0]=3 162 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [0,0,0,0,0,0|3,0,0]=3 163 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [0,0,0,0,0,0|3,0,0]=3 164 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [0,0,0,0,0,0|3,0,0]=3 165 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [0,0,0,0,0,0|3,0,0]=3 166 B5R0.1 [13CH3]SC[N+](=O)[O-] 62a_200025704644_100000761209 [0,0,0,0,0,0|4,0,0]=4 167 B4R0.1 C#CC(=O)C 1458a_100000211873_200000210301 [1,0,0,0,0,0|0,0,2]=3 168 B4R0.1 C#CC(=O)[13CH3] 1458a_100000211873_200025704644 [1,0,0,0,0,0|0,0,2]=3 169 B4R0.1 C=CC(=O)C 1458a_100000185746_200000210301 [1,0,0,0,0,0|0,0,2]=3 170 B4R0.1 C=CC(=O)[13CH3] 1458a_100000185746_200025704644 [1,0,0,0,0,0|0,0,2]=3 171 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [1,0,0,0,0,0|1,0,0]=2 172 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [1,0,0,0,0,0|0,0,0]=1 173 B4R0.1 CC(C)N[13CH3] 2230a_100138425928_200025704644 [1,0,0,0,0,0|2,0,1]=4 174 B4R0.1 CC(C)N[13CH3] 34a_100138425928_200025704644 [1,0,0,0,0,0|2,0,1]=4 175 B4R0.1 CC(C)O[13CH3] 34a_100000212225_200025704644 [1,0,0,0,0,0|2,0,1]=4 176 B4R0.1 CC(C)S[13CH3] 62a_100000210206_200025704644 [1,0,0,0,0,0|2,0,1]=4 177 B4R0.1 CC(C)S[13CH3] 62a_200025704644_100000210206 [1,0,0,0,0,0|2,0,1]=4 178 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [1,0,0,0,0,0|0,0,0]=1 179 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [1,0,0,0,0,0|0,0,0]=1 180 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [1,0,0,0,0,0|0,0,0]=1 181 B4R0.1 CCN(C)C 2230a_100000225621_200000210301 [1,0,0,0,0,0|2,0,0]=3 182 B4R0.1 CCN(C)C 2230a_100102631434_100000210202 [1,0,0,0,0,0|2,0,0]=3 183 B4R0.1 CCN(C)C 269982a_100000225621_200000210301 [1,0,0,0,0,0|2,0,0]=3 184 B4R0.1 CCN(C)C 269982a_100102631434_100000204670 [1,0,0,0,0,0|2,0,0]=3 185 B4R0.1 CCN(C)[13CH3] 2230a_100000225621_200025704644 [1,0,0,0,0,0|2,0,0]=3 186 B4R0.1 CCN(C)[13CH3] 269982a_100000225621_200025704644 [1,0,0,0,0,0|2,0,0]=3 187 B4R0.1 CN(C)CF 269982a_100102631434_100015361967 [1,0,0,0,0,0|3,0,0]=4 188 B4R0.1 CNC(=O)C 11a_106832991635_100015343762 [1,0,0,0,0,0|1,0,0]=2 189 B4R0.1 CNC(=O)C 1626a_100102657272_100015343762 [1,0,0,0,0,0|1,0,0]=2 190 B4R0.1 CNC(=O)C 240690a_100102657272_100015343762 [1,0,0,0,0,0|1,0,0]=2 191 B4R0.1 CNC(=O)C 527a_100102657272_100103153847 [1,0,0,0,0,0|1,0,0]=2 192 B4R0.1 CNC(C)C 2230a_100138425928_200000210301 [1,0,0,0,0,0|2,0,1]=4 193 B4R0.1 CNC(C)C 2230a_106832991635_100000210206 [1,0,0,0,0,0|2,0,1]=4 194 B4R0.1 CNC(C)C 34a_100102657272_100000210206 [1,0,0,0,0,0|2,0,1]=4 195 B4R0.1 CNC(C)C 34a_100138425928_200000210301 [1,0,0,0,0,0|2,0,1]=4 196 B4R0.1 CNC(C)C 7a_106832991635_100000210206 [1,0,0,0,0,0|2,0,1]=4 197 B4R0.1 COC(C)C 34a_100000212225_200000210301 [1,0,0,0,0,0|2,0,1]=4 198 B4R0.1 COC(C)C 34a_100138415774_100000210206 [1,0,0,0,0,0|2,0,1]=4 199 B4R0.1 CSC(C)C 62a_100000210206_200000210301 [1,0,0,0,0,0|2,0,1]=4 200 B4R0.1 CSC(C)C 62a_200000210301_100000210206 [1,0,0,0,0,0|2,0,1]=4 201 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [1,0,0,0,0,0|0,0,0]=1 202 B4R0.2 C#CCNC 2230a_106832991635_100000038162 [1,0,0,0,0,0|2,0,1]=4 203 B4R0.2 C#CCNC 34a_100000212058_200000210301 [1,0,0,0,0,0|2,0,1]=4 204 B4R0.2 C#CCNC 34a_100102657272_100000184674 [1,0,0,0,0,0|2,0,1]=4 205 B4R0.2 C#CCNC 7a_106832991635_100000038162 [1,0,0,0,0,0|2,0,1]=4 206 B4R0.2 C#CCN[13CH3] 34a_100000212058_200025704644 [1,0,0,0,0,0|2,0,1]=4 207 B4R0.2 C#CCOC 34a_100000210247_200000210301 [1,0,0,0,0,0|2,0,1]=4 208 B4R0.2 C#CCOC 34a_100138415774_100000184674 [1,0,0,0,0,0|2,0,1]=4 209 B4R0.2 C#CCO[13CH3] 34a_100000210247_200025704644 [1,0,0,0,0,0|2,0,1]=4 210 B4R0.2 C#CCSC 62a_100000038162_200000210301 [1,0,0,0,0,0|2,0,1]=4 211 B4R0.2 C#CCS[13CH3] 62a_100000038162_200025704644 [1,0,0,0,0,0|2,0,1]=4 212 B4R0.2 C=CCNC 2230a_100020586998_200000210301 [1,0,0,0,0,0|2,0,1]=4 213 B4R0.2 C=CCNC 2230a_106832991635_100000210623 [1,0,0,0,0,0|2,0,1]=4 214 B4R0.2 C=CCNC 34a_100102657272_100015514636 [1,0,0,0,0,0|2,0,1]=4 215 B4R0.2 C=CCNC 7a_106832991635_100015514636 [1,0,0,0,0,0|2,0,1]=4 216 B4R0.2 C=CCN[13CH3] 2230a_100020586998_200025704644 [1,0,0,0,0,0|2,0,1]=4 217 B4R0.2 C=CCOC 34a_100138415774_100015514636 [1,0,0,0,0,0|2,0,1]=4 218 B4R0.2 C=CCOC 34a_200000210373_200000210301 [1,0,0,0,0,0|2,0,1]=4 219 B4R0.2 C=CCO[13CH3] 34a_200000210373_200025704644 [1,0,0,0,0,0|2,0,1]=4 220 B4R0.2 C=CCSC 62a_100000210623_200000210301 [1,0,0,0,0,0|2,0,1]=4 221 B4R0.2 C=CCSC 62a_200000210301_100000210623 [1,0,0,0,0,0|2,0,1]=4 222 B4R0.2 C=CCS[13CH3] 62a_100000210623_200025704644 [1,0,0,0,0,0|2,0,1]=4 223 B4R0.2 C=CCS[13CH3] 62a_200025704644_100000210623 [1,0,0,0,0,0|2,0,1]=4 224 B4R0.2 CCCNC 2230a_106832991635_100000210303 [1,0,0,0,0,0|2,0,0]=3 225 B4R0.2 CCCNC 34a_100102657272_100000210303 [1,0,0,0,0,0|2,0,0]=3 226 B4R0.2 CCCNC 7a_106832991635_100000210303 [1,0,0,0,0,0|2,0,0]=3 227 B4R0.2 CCCOC 34a_100000210258_200000210301 [1,0,0,0,0,0|2,0,0]=3 228 B4R0.2 CCCOC 34a_100138415774_100000210303 [1,0,0,0,0,0|2,0,0]=3 229 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [1,0,0,0,0,0|2,0,0]=3 230 B4R0.2 CCCSC 62a_100000210303_200000210301 [1,0,0,0,0,0|2,0,0]=3 231 B4R0.2 CCCSC 62a_200000210301_100000210303 [1,0,0,0,0,0|2,0,0]=3 232 B4R0.2 CCCS[13CH3] 62a_100000210303_200025704644 [1,0,0,0,0,0|2,0,0]=3 233 B4R0.2 CCCS[13CH3] 62a_200025704644_100000210303 [1,0,0,0,0,0|2,0,0]=3 234 B4R0.2 CCNCC 2230a_100015525214_100000210202 [1,0,0,0,0,0|2,0,1]=4 235 B4R0.2 CCOCC 34a_100121572206_100000210202 [1,0,0,0,0,0|2,0,1]=4 236 B4R0.2 CCOCF 34a_100121572206_100015361967 [1,0,0,0,0,0|2,0,1]=4 237 B4R0.2 CCSCC 62a_100000210202_100000210202 [1,0,0,0,0,0|2,0,1]=4 238 B4R0.2 CCSCF 62a_100000210202_100015361967 [1,0,0,0,0,0|2,0,1]=4 239 B4R0.2 CCSCF 62a_100015361967_100000210202 [1,0,0,0,0,0|2,0,1]=4 240 B4R0.2 CNCC#N 2230a_106832991635_100011215382 [1,0,0,0,0,0|2,0,1]=4 241 B4R0.2 CNCC#N 7a_106832991635_100011215382 [1,0,0,0,0,0|2,0,1]=4 242 B4R0.2 CNCC=O 2230a_106832991635_200015260668 [1,0,0,0,0,0|2,0,0]=3 243 B4R0.2 CNCC=O 34a_100102657272_200009817547 [1,0,0,0,0,0|2,0,0]=3 244 B4R0.2 CNCC=O 7a_106832991635_200015260668 [1,0,0,0,0,0|2,0,0]=3 245 B4R0.2 CNCCF 2230a_106832991635_100011217306 [1,0,0,0,0,0|2,0,0]=3 246 B4R0.2 CNCCF 34a_100000724931_200000210301 [1,0,0,0,0,0|2,0,0]=3 247 B4R0.2 CNCCF 34a_100102657272_100011217306 [1,0,0,0,0,0|2,0,0]=3 248 B4R0.2 CNCCF 7a_106832991635_100011217306 [1,0,0,0,0,0|2,0,0]=3 249 B4R0.2 CNCCO 2230a_100016997473_200000210301 [1,0,0,0,0,0|1,0,0]=2 250 B4R0.2 CNCCO 2230a_106832991635_100000211926 [1,0,0,0,0,0|1,0,0]=2 251 B4R0.2 CNCCO 34a_100016990907_200000210301 [1,0,0,0,0,0|1,0,0]=2 252 B4R0.2 CNCCO 34a_100102657272_100000211926 [1,0,0,0,0,0|1,0,0]=2 253 B4R0.2 CNCCO 7a_106832991635_100000211926 [1,0,0,0,0,0|1,0,0]=2 254 B4R0.2 CNCOC 2230a_106832991635_100000766300 [1,0,0,0,0,0|3,0,0]=4 255 B4R0.2 CNCSC 2230a_106832991635_100011218213 [1,0,0,0,0,0|3,0,0]=4 256 B4R0.2 CNCSC 34a_100102657272_100011218213 [1,0,0,0,0,0|3,0,0]=4 257 B4R0.2 COCC=O 34a_100138415774_200009817547 [1,0,0,0,0,0|2,0,0]=3 258 B4R0.2 COCCBr 34a_100000211926_200000210301 [1,0,0,0,0,0|2,0,0]=3 259 B4R0.2 COCCF 34a_100138415774_100011217306 [1,0,0,0,0,0|2,0,0]=3 260 B4R0.2 COCCN 34a_100000210304_200000210301 [1,0,0,0,0,0|2,0,0]=3 261 B4R0.2 COCCO 34a_100138415774_100000211926 [1,0,0,0,0,0|1,0,0]=2 262 B4R0.2 COCSC 34a_100138415774_100011218213 [1,0,0,0,0,0|3,0,0]=4 263 B4R0.2 COCSC 62a_100000766300_200000210301 [1,0,0,0,0,0|3,0,0]=4 264 B4R0.2 COCSC 62a_200000210301_100000766300 [1,0,0,0,0,0|3,0,0]=4 265 B4R0.2 COCS[13CH3] 62a_100000766300_200025704644 [1,0,0,0,0,0|3,0,0]=4 266 B4R0.2 COCS[13CH3] 62a_200025704644_100000766300 [1,0,0,0,0,0|3,0,0]=4 267 B4R0.2 CSCC#N 62a_100011215382_200000210301 [1,0,0,0,0,0|2,0,1]=4 268 B4R0.2 CSCC#N 62a_200000210301_100011215382 [1,0,0,0,0,0|2,0,1]=4 269 B4R0.2 CSCC=O 62a_200000210301_200015260668 [1,0,0,0,0,0|2,0,0]=3 270 B4R0.2 CSCC=O 62a_200015260668_200000210301 [1,0,0,0,0,0|2,0,0]=3 271 B4R0.2 CSCCF 62a_100011217306_200000210301 [1,0,0,0,0,0|2,0,0]=3 272 B4R0.2 CSCCF 62a_200000210301_100011217306 [1,0,0,0,0,0|2,0,0]=3 273 B4R0.2 CSCCO 62a_100000211926_200000210301 [1,0,0,0,0,0|1,0,0]=2 274 B4R0.2 CSCCO 62a_200000210301_100000211926 [1,0,0,0,0,0|1,0,0]=2 275 B4R0.2 CSCSC 62a_100011218213_200000210301 [1,0,0,0,0,0|3,0,0]=4 276 B4R0.2 CSCSC 62a_200000210301_100011218213 [1,0,0,0,0,0|3,0,0]=4 277 B4R0.2 CSCS[13CH3] 62a_100011218213_200025704644 [1,0,0,0,0,0|3,0,0]=4 278 B4R0.2 CSCS[13CH3] 62a_200025704644_100011218213 [1,0,0,0,0,0|3,0,0]=4 279 B4R0.2 [13CH3]NCCF 34a_100000724931_200025704644 [1,0,0,0,0,0|2,0,0]=3 280 B4R0.2 [13CH3]NCCO 2230a_100016997473_200025704644 [1,0,0,0,0,0|1,0,0]=2 281 B4R0.2 [13CH3]NCCO 34a_100016990907_200025704644 [1,0,0,0,0,0|1,0,0]=2 282 B4R0.2 [13CH3]OCCBr 34a_100000211926_200025704644 [1,0,0,0,0,0|2,0,0]=3 283 B4R0.2 [13CH3]OCCN 34a_100000210304_200025704644 [1,0,0,0,0,0|2,0,0]=3 284 B4R0.2 [13CH3]SCC#N 62a_100011215382_200025704644 [1,0,0,0,0,0|2,0,1]=4 285 B4R0.2 [13CH3]SCC#N 62a_200025704644_100011215382 [1,0,0,0,0,0|2,0,1]=4 286 B4R0.2 [13CH3]SCC=O 62a_200015260668_200025704644 [1,0,0,0,0,0|2,0,0]=3 287 B4R0.2 [13CH3]SCC=O 62a_200025704644_200015260668 [1,0,0,0,0,0|2,0,0]=3 288 B4R0.2 [13CH3]SCCF 62a_100011217306_200025704644 [1,0,0,0,0,0|2,0,0]=3 289 B4R0.2 [13CH3]SCCF 62a_200025704644_100011217306 [1,0,0,0,0,0|2,0,0]=3 290 B4R0.2 [13CH3]SCCO 62a_100000211926_200025704644 [1,0,0,0,0,0|1,0,0]=2 291 B4R0.2 [13CH3]SCCO 62a_200025704644_100000211926 [1,0,0,0,0,0|1,0,0]=2 292 B6R0.1 C#CC(=O)CC#N 1458a_100000211873_100011214920 [0,1,0,0,0,0|1,0,2]=4 293 B6R0.1 C#CC(=O)CC=C 1458a_100000211873_100000210623 [0,1,0,0,0,0|1,0,2]=4 294 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [0,1,0,0,0,0|1,0,1]=3 295 B6R0.1 C#CC(=O)CCF 1458a_100000211873_100011217306 [0,1,0,0,0,0|1,0,1]=3 296 B6R0.1 C#CC(=O)CCO 1458a_100000211873_100000211926 [0,1,0,0,0,0|0,0,1]=2 297 B6R0.1 C#CCC(=O)C#C 1458a_100000211873_100000184674 [0,1,0,0,0,0|1,0,2]=4 298 B6R0.1 C#CCC(=O)C=C 1458a_100000185746_100000184674 [0,1,0,0,0,0|1,0,2]=4 299 B6R0.1 C#CCC(=O)CC 1458a_100000210414_100000184674 [0,1,0,0,0,0|1,0,1]=3 300 B6R0.1 C#CCC(=O)CC 1458a_100011220946_100000210202 [0,1,0,0,0,0|1,0,1]=3 301 B6R0.1 C#CCC(=O)CF 1458a_100011220946_100015361967 [0,1,0,0,0,0|1,0,1]=3 302 B6R0.1 C#CCC(=O)CO 1458a_100000210174_100000184674 [0,1,0,0,0,0|1,0,1]=3 303 B6R0.1 C#CCC(=O)NC 1626a_100102657272_100011220946 [0,1,0,0,0,0|1,0,1]=3 304 B6R0.1 C#CCC(=O)NC 527a_100102657272_100011220946 [0,1,0,0,0,0|1,0,1]=3 305 B6R0.1 C=CC(=O)CC#N 1458a_100000185746_100011214920 [0,1,0,0,0,0|1,0,2]=4 306 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [0,1,0,0,0,0|1,0,1]=3 307 B6R0.1 C=CC(=O)CCF 1458a_100000185746_100011217306 [0,1,0,0,0,0|1,0,1]=3 308 B6R0.1 C=CC(=O)CCO 1458a_100000185746_100000211926 [0,1,0,0,0,0|0,0,1]=2 309 B6R0.1 C=CC(=O)NCC 240690a_100015525214_200121576911 [0,1,0,0,0,0|2,0,1]=4 310 B6R0.1 C=CCC(=O)C=C 1458a_100000185746_100000210623 [0,1,0,0,0,0|1,0,2]=4 311 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [0,1,0,0,0,0|1,0,1]=3 312 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [0,1,0,0,0,0|1,0,1]=3 313 B6R0.1 C=CCC(=O)CF 1458a_100000210193_100015361967 [0,1,0,0,0,0|1,0,1]=3 314 B6R0.1 C=CCC(=O)CO 1458a_100000210174_100000210623 [0,1,0,0,0,0|1,0,1]=3 315 B6R0.1 C=CCC(=O)NC 11a_106832991635_100000210193 [0,1,0,0,0,0|1,0,1]=3 316 B6R0.1 C=CCC(=O)NC 1626a_100102657272_100000210193 [0,1,0,0,0,0|1,0,1]=3 317 B6R0.1 C=CCC(=O)NC 240690a_100102657272_100000210193 [0,1,0,0,0,0|1,0,1]=3 318 B6R0.1 C=CCC(=O)NC 527a_100102657272_100000210193 [0,1,0,0,0,0|1,0,1]=3 319 B6R0.1 CC#CC(=O)CC 1458a_100000763181_100000210202 [0,1,0,0,0,0|1,0,2]=4 320 B6R0.1 CC#CC(=O)CF 1458a_100000763181_100015361967 [0,1,0,0,0,0|1,0,2]=4 321 B6R0.1 CC(CCBr)O[13CH3] 34a_100012276601_200025704644 [0,1,0,0,0,0|1,0,2]=4 322 B6R0.1 CC(CCO)S[13CH3] 62a_100009893172_200025704644 [0,1,0,0,0,0|0,1,1]=3 323 B6R0.1 CC(CCO)S[13CH3] 62a_200025704644_100009893172 [0,1,0,0,0,0|0,1,1]=3 324 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [0,1,0,0,0,0|1,0,2]=4 325 B6R0.1 CC=CC(=O)CF 1458a_100000210699_100015361967 [0,1,0,0,0,0|1,0,2]=4 326 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [0,1,0,0,0,0|1,0,2]=4 327 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [0,1,0,0,0,0|1,0,2]=4 328 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [0,1,0,0,0,0|1,0,2]=4 329 B6R0.1 CCC(=O)C=CBr 1458a_100016273825_100000210202 [0,1,0,0,0,0|1,0,2]=4 330 B6R0.1 CCC(=O)C=CCl 1458a_200016279998_100000210202 [0,1,0,0,0,0|1,0,2]=4 331 B6R0.1 CCC(=O)C=CI 1458a_100016256311_100000210202 [0,1,0,0,0,0|1,0,2]=4 332 B6R0.1 CCC(=O)CC#N 1458a_100000210414_100011214920 [0,1,0,0,0,0|1,0,1]=3 333 B6R0.1 CCC(=O)CC#N 1458a_100051588842_100000210202 [0,1,0,0,0,0|1,0,1]=3 334 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [0,1,0,0,0,0|1,0,0]=2 335 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [0,1,0,0,0,0|0,0,0]=1 336 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [0,1,0,0,0,0|0,0,0]=1 337 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [0,1,0,0,0,0|2,0,0]=3 338 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [0,1,0,0,0,0|2,0,0]=3 339 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [0,1,0,0,0,0|2,0,0]=3 340 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [0,1,0,0,0,0|2,0,0]=3 341 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [0,1,0,0,0,0|2,0,0]=3 342 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [0,1,0,0,0,0|2,0,0]=3 343 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [0,1,0,0,0,0|2,0,0]=3 344 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [0,1,0,0,0,0|2,0,0]=3 345 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [0,1,0,0,0,0|2,0,0]=3 346 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [0,1,0,0,0,0|3,0,0]=4 347 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [0,1,0,0,0,0|1,0,0]=2 348 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [0,1,0,0,0,0|1,0,0]=2 349 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [0,1,0,0,0,0|1,0,0]=2 350 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [0,1,0,0,0,0|1,0,0]=2 351 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [0,1,0,0,0,0|1,0,0]=2 352 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [0,1,0,0,0,0|1,0,0]=2 353 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [0,1,0,0,0,0|1,0,0]=2 354 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [0,1,0,0,0,0|1,0,0]=2 355 B6R0.1 CCCC(C)NC 2230a_100000741246_200000210301 [0,1,0,0,0,0|2,0,1]=4 356 B6R0.1 CCCC(C)NC 2230a_106832991635_100000766640 [0,1,0,0,0,0|2,0,1]=4 357 B6R0.1 CCCC(C)NC 270004a_106832991635_100000211909 [0,1,0,0,0,0|2,0,1]=4 358 B6R0.1 CCCC(C)NC 34a_100102657272_100000766640 [0,1,0,0,0,0|2,0,1]=4 359 B6R0.1 CCCC(C)NC 7a_106832991635_100000766640 [0,1,0,0,0,0|2,0,1]=4 360 B6R0.1 CCCC(C)N[13CH3] 2230a_100000741246_200025704644 [0,1,0,0,0,0|2,0,1]=4 361 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [0,1,0,0,0,0|1,0,2]=4 362 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [0,1,0,0,0,0|1,0,2]=4 363 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [0,1,0,0,0,0|1,0,2]=4 364 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [0,1,0,0,0,0|1,0,2]=4 365 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [0,1,0,0,0,0|1,0,2]=4 366 B6R0.1 CCCC(C)SC 62a_100000766640_200000210301 [0,1,0,0,0,0|1,1,1]=4 367 B6R0.1 CCCC(C)SC 62a_200000210301_100000766640 [0,1,0,0,0,0|1,1,1]=4 368 B6R0.1 CCCC(C)S[13CH3] 62a_100000766640_200025704644 [0,1,0,0,0,0|1,1,1]=4 369 B6R0.1 CCCC(C)S[13CH3] 62a_200025704644_100000766640 [0,1,0,0,0,0|1,1,1]=4 370 B6R0.1 CCCN(C)CC 2230a_100000225621_100000210303 [0,1,0,0,0,0|3,0,0]=4 371 B6R0.1 CCCN(C)CC 2230a_100000226822_200000210301 [0,1,0,0,0,0|3,0,0]=4 372 B6R0.1 CCCN(C)CC 2230a_100000747261_100000210202 [0,1,0,0,0,0|3,0,0]=4 373 B6R0.1 CCCN(C)CC 269982a_100000225621_100000210303 [0,1,0,0,0,0|3,0,0]=4 374 B6R0.1 CCCN(C)CC 269982a_100000226822_200000210301 [0,1,0,0,0,0|3,0,0]=4 375 B6R0.1 CCCN(C)CC 269982a_100000747261_100000204670 [0,1,0,0,0,0|3,0,0]=4 376 B6R0.1 CCCN(C)CF 269982a_100000747261_100015361967 [0,1,0,0,0,0|3,0,0]=4 377 B6R0.1 CCCN([13CH3])CC 2230a_100000226822_200025704644 [0,1,0,0,0,0|3,0,0]=4 378 B6R0.1 CCCN([13CH3])CC 269982a_100000226822_200025704644 [0,1,0,0,0,0|3,0,0]=4 379 B6R0.1 CCN(C)CCF 2230a_100000225621_100011217306 [0,1,0,0,0,0|3,0,0]=4 380 B6R0.1 CCN(C)CCF 269982a_100000225621_100011217306 [0,1,0,0,0,0|3,0,0]=4 381 B6R0.1 CCN(C)CCO 2230a_100000210263_100000210202 [0,1,0,0,0,0|2,0,0]=3 382 B6R0.1 CCN(C)CCO 2230a_100000210973_200000210301 [0,1,0,0,0,0|2,0,0]=3 383 B6R0.1 CCN(C)CCO 2230a_100000225621_100000211926 [0,1,0,0,0,0|2,0,0]=3 384 B6R0.1 CCN(C)CCO 269982a_100000210263_100000204670 [0,1,0,0,0,0|2,0,0]=3 385 B6R0.1 CCN(C)CCO 269982a_100000210973_200000210301 [0,1,0,0,0,0|2,0,0]=3 386 B6R0.1 CCN(C)CCO 269982a_100000225621_100000211926 [0,1,0,0,0,0|2,0,0]=3 387 B6R0.1 CCN([13CH3])CCO 2230a_100000210973_200025704644 [0,1,0,0,0,0|2,0,0]=3 388 B6R0.1 CCN([13CH3])CCO 269982a_100000210973_200025704644 [0,1,0,0,0,0|2,0,0]=3 389 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [0,1,0,0,0,0|2,0,0]=3 390 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [0,1,0,0,0,0|2,0,0]=3 391 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [0,1,0,0,0,0|2,0,0]=3 392 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [0,1,0,0,0,0|2,0,0]=3 393 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [0,1,0,0,0,0|2,0,0]=3 394 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [0,1,0,0,0,0|2,0,0]=3 395 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [0,1,0,0,0,0|2,0,0]=3 396 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [0,1,0,0,0,0|2,0,0]=3 397 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [0,1,0,0,0,0|2,0,0]=3 398 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [0,1,0,0,0,0|2,0,0]=3 399 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [0,1,0,0,0,0|2,0,0]=3 400 B6R0.1 CN(CF)CCO 269982a_100000210263_100015361967 [0,1,0,0,0,0|2,0,0]=3 401 B6R0.1 CNC(=O)C=CBr 1626a_100102657272_100016273825 [0,1,0,0,0,0|1,0,2]=4 402 B6R0.1 CNC(=O)C=CBr 240690a_100102657272_100016273825 [0,1,0,0,0,0|1,0,2]=4 403 B6R0.1 CNC(=O)C=CCl 11a_106832991635_200016279998 [0,1,0,0,0,0|1,0,2]=4 404 B6R0.1 CNC(=O)C=CCl 1626a_100102657272_200016279998 [0,1,0,0,0,0|1,0,2]=4 405 B6R0.1 CNC(=O)C=CCl 240690a_100102657272_200016279998 [0,1,0,0,0,0|1,0,2]=4 406 B6R0.1 CNC(=O)C=CI 1626a_100102657272_100016256311 [0,1,0,0,0,0|1,0,2]=4 407 B6R0.1 CNC(=O)CC#N 1626a_100102657272_100051588842 [0,1,0,0,0,0|1,0,1]=3 408 B6R0.1 CNC(=O)CC#N 240690a_100102657272_100051588842 [0,1,0,0,0,0|1,0,1]=3 409 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [0,1,0,0,0,0|0,0,0]=1 410 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [0,1,0,0,0,0|2,0,0]=3 411 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [0,1,0,0,0,0|2,0,0]=3 412 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [0,1,0,0,0,0|2,0,0]=3 413 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [0,1,0,0,0,0|2,0,0]=3 414 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [0,1,0,0,0,0|2,0,0]=3 415 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [0,1,0,0,0,0|2,0,0]=3 416 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [0,1,0,0,0,0|2,0,0]=3 417 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [0,1,0,0,0,0|2,0,0]=3 418 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [0,1,0,0,0,0|2,0,0]=3 419 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [0,1,0,0,0,0|2,0,0]=3 420 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [0,1,0,0,0,0|2,0,0]=3 421 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [0,1,0,0,0,0|2,0,0]=3 422 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [0,1,0,0,0,0|2,0,0]=3 423 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [0,1,0,0,0,0|2,0,0]=3 424 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [0,1,0,0,0,0|2,0,0]=3 425 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [0,1,0,0,0,0|2,0,0]=3 426 B6R0.1 CNC(C)CCO 2230a_106832991635_100009893172 [0,1,0,0,0,0|1,0,1]=3 427 B6R0.1 CNC(C)CCO 34a_100102657272_100009893172 [0,1,0,0,0,0|1,0,1]=3 428 B6R0.1 CNC(C)CCO 7a_106832991635_100009893172 [0,1,0,0,0,0|1,0,1]=3 429 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [0,1,0,0,0,0|2,0,0]=3 430 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [0,1,0,0,0,0|2,0,0]=3 431 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [0,1,0,0,0,0|2,0,0]=3 432 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [0,1,0,0,0,0|2,0,0]=3 433 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [0,1,0,0,0,0|2,0,0]=3 434 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [0,1,0,0,0,0|2,0,0]=3 435 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [0,1,0,0,0,0|2,0,0]=3 436 B6R0.1 CNNC(=O)CO 22a_100016993582_100000210174 [0,1,0,0,0,0|3,0,0]=4 437 B6R0.1 CNNC(=O)NC 273464a_100102657272_100016993582 [0,1,0,0,0,0|3,0,0]=4 438 B6R0.1 CNNC(=O)NC 512a_100016993582_100102657272 [0,1,0,0,0,0|3,0,0]=4 439 B6R0.1 CNNC(=O)NC 512a_106832991638_100016993582 [0,1,0,0,0,0|3,0,0]=4 440 B6R0.1 CN[C@H](C)CCO 2230a_100000706166_200000210301 [0,1,0,0,0,0|1,0,1]=3 441 B6R0.1 CN[C@H](C)CCO 34a_100000706166_200000210301 [0,1,0,0,0,0|1,0,1]=3 442 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [0,1,0,0,0,0|2,0,0]=3 443 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [0,1,0,0,0,0|2,0,0]=3 444 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [0,1,0,0,0,0|2,0,0]=3 445 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [0,1,0,0,0,0|2,0,0]=3 446 B6R0.1 COC(C)CCBr 34a_100012276601_200000210301 [0,1,0,0,0,0|1,0,2]=4 447 B6R0.1 COC(C)CCO 34a_100138415774_100009893172 [0,1,0,0,0,0|0,0,2]=3 448 B6R0.1 COCC(=O)CF 1458a_100000210968_100015361967 [0,1,0,0,0,0|2,0,0]=3 449 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [0,1,0,0,0,0|2,0,0]=3 450 B6R0.1 CSC(C)CCO 62a_100009893172_200000210301 [0,1,0,0,0,0|0,1,1]=3 451 B6R0.1 CSC(C)CCO 62a_200000210301_100009893172 [0,1,0,0,0,0|0,1,1]=3 452 B6R0.1 CSCC(=O)CF 1458a_100000184570_100015361967 [0,1,0,0,0,0|2,0,0]=3 453 B6R0.1 C[C@H](CCO)N[13CH3] 2230a_100000706166_200025704644 [0,1,0,0,0,0|1,0,1]=3 454 B6R0.1 C[C@H](CCO)N[13CH3] 34a_100000706166_200025704644 [0,1,0,0,0,0|1,0,1]=3 455 B6R0.1 N#CCC(=O)CF 1458a_100051588842_100015361967 [0,1,0,0,0,0|1,0,1]=3 456 B6R0.1 N#CCC(=O)CO 1458a_100000210174_100011214920 [0,1,0,0,0,0|1,0,1]=3 457 B6R0.1 O=C(C=CBr)CF 1458a_100016273825_100015361967 [0,1,0,0,0,0|1,0,2]=4 458 B6R0.1 O=C(C=CCl)CF 1458a_200016279998_100015361967 [0,1,0,0,0,0|1,0,2]=4 459 B6R0.1 O=C(C=CI)CF 1458a_100016256311_100015361967 [0,1,0,0,0,0|1,0,2]=4 460 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [0,1,0,0,0,0|0,0,0]=1 461 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [0,1,0,0,0,0|1,0,0]=2 462 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [0,1,0,0,0,0|0,0,0]=1 463 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [0,1,0,0,0,0|1,0,1]=3 464 B6R0.2 C=C(C)CN(C)C 2230a_100000225649_200000210301 [0,1,0,0,0,0|3,0,0]=4 465 B6R0.2 C=C(C)CN(C)C 2230a_100102631434_100000748629 [0,1,0,0,0,0|3,0,0]=4 466 B6R0.2 C=C(C)CN(C)C 269982a_100000225649_200000210301 [0,1,0,0,0,0|3,0,0]=4 467 B6R0.2 C=C(C)CN(C)C 269982a_100102631434_100000748629 [0,1,0,0,0,0|3,0,0]=4 468 B6R0.2 C=C(C)CN(C)[13CH3] 2230a_100000225649_200025704644 [0,1,0,0,0,0|3,0,0]=4 469 B6R0.2 C=C(C)CN(C)[13CH3] 269982a_100000225649_200025704644 [0,1,0,0,0,0|3,0,0]=4 470 B6R0.2 C=C(F)CC(=O)C 1458a_100000070787_100009893438 [0,1,0,0,0,0|1,0,1]=3 471 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [0,1,0,0,0,0|1,0,2]=4 472 B6R0.2 CC(=CC(=O)[13CH3])Cl 1458a_200042562850_200025704644 [0,1,0,0,0,0|1,0,2]=4 473 B6R0.2 CC(=CC(=O)[13CH3])I 1458a_100025716642_200025704644 [0,1,0,0,0,0|1,0,2]=4 474 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [0,1,0,0,0,0|1,0,2]=4 475 B6R0.2 CC(=O)C=C(C)Cl 1458a_200042562850_200000210301 [0,1,0,0,0,0|1,0,2]=4 476 B6R0.2 CC(=O)C=C(C)I 1458a_100025716642_200000210301 [0,1,0,0,0,0|1,0,2]=4 477 B6R0.2 CC(=O)C=C(Cl)Cl 1458a_100000137448_200000210301 [0,1,0,0,0,0|1,0,2]=4 478 B6R0.2 CC(=O)CC(=O)N 1458a_100000070787_100000187820 [0,1,0,0,0,0|0,0,2]=3 479 B6R0.2 CC(=O)CC(=O)N 1458a_100134613110_200000210301 [0,1,0,0,0,0|0,0,2]=3 480 B6R0.2 CC(=O)CC(=O)[O-] 1458a_100000070787_100020667443 [0,1,0,0,0,0|0,0,2]=3 481 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [0,1,0,0,0,0|1,0,0]=2 482 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [0,1,0,0,0,0|1,0,0]=2 483 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [0,1,0,0,0,0|0,0,0]=1 484 B6R0.2 CC(=O)CC(F)F 1458a_100000070787_100011934356 [0,1,0,0,0,0|1,0,0]=2 485 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [0,1,0,0,0,0|2,0,0]=3 486 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [0,1,0,0,0,0|0,0,0]=1 487 B6R0.2 CC(=O)C[N+](=O)[O-] 1458a_100000070787_100000761209 [0,1,0,0,0,0|1,0,1]=3 488 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [0,1,0,0,0,0|2,0,0]=3 489 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [0,1,0,0,0,0|2,0,0]=3 490 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [0,1,0,0,0,0|2,0,0]=3 491 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [0,1,0,0,0,0|2,0,0]=3 492 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [0,1,0,0,0,0|2,0,0]=3 493 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [0,1,0,0,0,0|1,0,0]=2 494 B6R0.2 CC(C)CN(C)C 2230a_100000747067_200000210301 [0,1,0,0,0,0|3,0,0]=4 495 B6R0.2 CC(C)CN(C)C 2230a_100102631434_100000210760 [0,1,0,0,0,0|3,0,0]=4 496 B6R0.2 CC(C)CN(C)C 269982a_100000747067_200000210301 [0,1,0,0,0,0|3,0,0]=4 497 B6R0.2 CC(C)CN(C)C 269982a_100102631434_100000210624 [0,1,0,0,0,0|3,0,0]=4 498 B6R0.2 CC(C)CN(C)C 270004a_100102631434_100000210432 [0,1,0,0,0,0|3,0,0]=4 499 B6R0.2 CC(C)CN(C)[13CH3] 2230a_100000747067_200025704644 [0,1,0,0,0,0|3,0,0]=4 500 B6R0.2 CC(C)CN(C)[13CH3] 269982a_100000747067_200025704644 [0,1,0,0,0,0|3,0,0]=4 501 B6R0.2 CC(O)CN(C)C 2230a_100000227577_200000210301 [0,1,0,0,0,0|2,0,0]=3 502 B6R0.2 CC(O)CN(C)C 2230a_100102631434_100011218427 [0,1,0,0,0,0|2,0,0]=3 503 B6R0.2 CC(O)CN(C)C 269982a_100000227577_200000210301 [0,1,0,0,0,0|2,0,0]=3 504 B6R0.2 CC(O)CN(C)C 269982a_100102631434_100011218427 [0,1,0,0,0,0|2,0,0]=3 505 B6R0.2 CC(O)CN(C)[13CH3] 2230a_100000227577_200025704644 [0,1,0,0,0,0|2,0,0]=3 506 B6R0.2 CC(O)CN(C)[13CH3] 269982a_100000227577_200025704644 [0,1,0,0,0,0|2,0,0]=3 507 B6R0.2 CN(C)CC(=O)N 2230a_100000739694_200000210301 [0,1,0,0,0,0|3,0,0]=4 508 B6R0.2 CN(C)CC(=O)N 2230a_100102631434_100000747473 [0,1,0,0,0,0|3,0,0]=4 509 B6R0.2 CN(C)CC(=O)N 269982a_100102631434_100000187820 [0,1,0,0,0,0|3,0,0]=4 510 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [0,1,0,0,0,0|2,0,1]=4 511 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [0,1,0,0,0,0|2,0,0]=3 512 B6R0.2 CN(C)CC(=O)[O-] 269982a_100102631434_100020667443 [0,1,0,0,0,0|3,0,0]=4 513 B6R0.2 CN(C)CC(F)F 2230a_100102631434_100011934356 [0,1,0,0,0,0|3,0,0]=4 514 B6R0.2 CN(C)CC(F)F 269982a_100102631434_100011934356 [0,1,0,0,0,0|3,0,0]=4 515 B6R0.2 CN([13CH3])CC(=O)N 2230a_100000739694_200025704644 [0,1,0,0,0,0|3,0,0]=4 516 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [0,1,0,0,0,0|2,0,1]=4 517 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [0,1,0,0,0,0|0,0,0]=1 518 B6R0.2 C[C@@H](O)CN(C)C 2230a_100102631434_100009817552 [0,1,0,0,0,0|2,0,0]=3 519 B6R0.2 C[C@@H](O)CN(C)C 269982a_100102631434_100009817552 [0,1,0,0,0,0|2,0,0]=3 520 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [0,1,0,0,0,0|2,0,0]=3 521 B6R0.2 [13CH3]C(=O)C=C(Cl)Cl 1458a_100000137448_200025704644 [0,1,0,0,0,0|1,0,2]=4 522 B6R0.2 [13CH3]C(=O)CC(=O)N 1458a_100134613110_200025704644 [0,1,0,0,0,0|0,0,2]=3 523 B6R0.3 C#CC(C)C(=O)C 1458a_100000070787_200000035995 [0,1,0,0,0,0|1,0,1]=3 524 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [0,1,0,0,0,0|1,0,2]=4 525 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [0,1,0,0,0,0|1,0,2]=4 526 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [0,1,0,0,0,0|2,0,1]=4 527 B6R0.3 C=C(C)C(=O)CF 1458a_100000185857_100015361967 [0,1,0,0,0,0|2,0,1]=4 528 B6R0.3 C=C(C)C(C)NC 269862a_106832991636_100011216138 [0,1,0,0,0,0|3,0,0]=4 529 B6R0.3 C=CC(C)C(=O)C 1458a_100011216780_200000210301 [0,1,0,0,0,0|1,0,1]=3 530 B6R0.3 C=CC(C)C(=O)[13CH3] 1458a_100011216780_200025704644 [0,1,0,0,0,0|1,0,1]=3 531 B6R0.3 CC(=O)C(C)C#N 1458a_100000070787_100000703298 [0,1,0,0,0,0|1,0,1]=3 532 B6R0.3 CC(=O)C(C)C#N 1458a_100000753662_200000210301 [0,1,0,0,0,0|1,0,1]=3 533 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [0,1,0,0,0,0|2,0,0]=3 534 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [0,1,0,0,0,0|2,0,0]=3 535 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [0,1,0,0,0,0|2,0,0]=3 536 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [0,1,0,0,0,0|0,0,0]=1 537 B6R0.3 CC(C#N)C(=O)[13CH3] 1458a_100000753662_200025704644 [0,1,0,0,0,0|1,0,1]=3 538 B6R0.3 CC(C)C(=O)CO 1458a_100000210174_100000210206 [0,1,0,0,0,0|1,0,2]=4 539 B6R0.3 CC(CO)N(C)C 2230a_100000693034_200000210301 [0,1,0,0,0,0|2,0,0]=3 540 B6R0.3 CC(CO)N(C)C 2230a_100102631434_100012180447 [0,1,0,0,0,0|2,0,0]=3 541 B6R0.3 CC(CO)N(C)C 269982a_100000693034_200000210301 [0,1,0,0,0,0|2,0,0]=3 542 B6R0.3 CC(CO)N(C)[13CH3] 2230a_100000693034_200025704644 [0,1,0,0,0,0|2,0,0]=3 543 B6R0.3 CC(CO)N(C)[13CH3] 269982a_100000693034_200025704644 [0,1,0,0,0,0|2,0,0]=3 544 B6R0.3 CC(S[13CH3])C(=O)N 62a_100000702099_200025704644 [0,1,0,0,0,0|3,0,0]=4 545 B6R0.3 CC(S[13CH3])C(=O)N 62a_200025704644_100000702099 [0,1,0,0,0,0|3,0,0]=4 546 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [0,1,0,0,0,0|1,0,0]=2 547 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [0,1,0,0,0,0|1,0,0]=2 548 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [0,1,0,0,0,0|1,0,0]=2 549 B6R0.3 CCC(C)N(C)C 2230a_100000741768_200000210301 [0,1,0,0,0,0|3,0,0]=4 550 B6R0.3 CCC(C)N(C)C 2230a_100102631434_100000758301 [0,1,0,0,0,0|3,0,0]=4 551 B6R0.3 CCC(C)N(C)C 269982a_100000741768_200000210301 [0,1,0,0,0,0|3,0,0]=4 552 B6R0.3 CCC(C)N(C)C 269982a_100102631434_100000758301 [0,1,0,0,0,0|3,0,0]=4 553 B6R0.3 CCC(C)N(C)[13CH3] 2230a_100000741768_200025704644 [0,1,0,0,0,0|3,0,0]=4 554 B6R0.3 CCC(C)N(C)[13CH3] 269982a_100000741768_200025704644 [0,1,0,0,0,0|3,0,0]=4 555 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [0,1,0,0,0,0|1,0,0]=2 556 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [0,1,0,0,0,0|1,0,0]=2 557 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [0,1,0,0,0,0|2,0,0]=3 558 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [0,1,0,0,0,0|2,0,0]=3 559 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [0,1,0,0,0,0|2,0,0]=3 560 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [0,1,0,0,0,0|2,0,0]=3 561 B6R0.3 CN(C)C(=O)CO 240690a_100102631434_100000210174 [0,1,0,0,0,0|2,0,1]=4 562 B6R0.3 CN(C)C(=O)CO 527a_100102631434_100000210174 [0,1,0,0,0,0|2,0,1]=4 563 B6R0.3 CNC(=O)C(=O)C 1458a_100011218921_200000210301 [0,1,0,0,0,0|2,0,1]=4 564 B6R0.3 CNC(=O)C(=O)[13CH3] 1458a_100011218921_200025704644 [0,1,0,0,0,0|2,0,1]=4 565 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [0,1,0,0,0,0|2,0,0]=3 566 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [0,1,0,0,0,0|2,0,0]=3 567 B6R0.3 CNC(C)C(=O)N 2230a_106832991635_100000702099 [0,1,0,0,0,0|3,0,0]=4 568 B6R0.3 CNC(C)C(=O)N 34a_100102657272_100000702099 [0,1,0,0,0,0|3,0,0]=4 569 B6R0.3 CNC(C)C(=O)N 7a_106832991635_100000702099 [0,1,0,0,0,0|3,0,0]=4 570 B6R0.3 CNC(F)C(=O)N 2230a_106832991635_100009813875 [0,1,0,0,0,0|3,0,0]=4 571 B6R0.3 CNC(F)C(=O)N 34a_100102657272_100009813875 [0,1,0,0,0,0|3,0,0]=4 572 B6R0.3 CNC(F)C(=O)N 7a_106832991635_100009813875 [0,1,0,0,0,0|3,0,0]=4 573 B6R0.3 CNC(F)C(=O)[O-] 34a_100102657272_100020610796 [0,1,0,0,0,0|3,0,0]=4 574 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [0,1,0,0,0,0|3,0,0]=4 575 B6R0.3 CN[C@H](C)C(=O)N 2230a_100000119354_200000210301 [0,1,0,0,0,0|3,0,0]=4 576 B6R0.3 CN[C@H](C)C(=O)N 34a_100000119354_200000210301 [0,1,0,0,0,0|3,0,0]=4 577 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [0,1,0,0,0,0|2,0,0]=3 578 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [0,1,0,0,0,0|2,0,0]=3 579 B6R0.3 COC(C)C(=O)N 34a_100138415774_100000702099 [0,1,0,0,0,0|3,0,0]=4 580 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [0,1,0,0,0,0|2,0,0]=3 581 B6R0.3 COC(F)C(=O)N 34a_100138415774_100009813875 [0,1,0,0,0,0|3,0,0]=4 582 B6R0.3 COC(F)C(=O)[O-] 34a_100138415774_100020610796 [0,1,0,0,0,0|3,0,0]=4 583 B6R0.3 CO[C@@H](C)C(=O)[O-] 7a_217856618621_200000210301 [0,1,0,0,0,0|3,0,0]=4 584 B6R0.3 CO[C@H](C)C(=O)N 34a_100000731257_200000210301 [0,1,0,0,0,0|3,0,0]=4 585 B6R0.3 CO[C@H](C)C(=O)N 7a_100000731257_200000210301 [0,1,0,0,0,0|3,0,0]=4 586 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [0,1,0,0,0,0|2,0,0]=3 587 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [0,1,0,0,0,0|2,0,0]=3 588 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [0,1,0,0,0,0|2,0,0]=3 589 B6R0.3 CSC(C)C(=O)N 62a_100000702099_200000210301 [0,1,0,0,0,0|3,0,0]=4 590 B6R0.3 CSC(C)C(=O)N 62a_200000210301_100000702099 [0,1,0,0,0,0|3,0,0]=4 591 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [0,1,0,0,0,0|2,0,0]=3 592 B6R0.3 CSC(F)C(=O)N 62a_100009813875_200000210301 [0,1,0,0,0,0|3,0,0]=4 593 B6R0.3 CSC(F)C(=O)N 62a_200000210301_100009813875 [0,1,0,0,0,0|3,0,0]=4 594 B6R0.3 CSC(F)C(=O)[O-] 62a_100020610796_200000210301 [0,1,0,0,0,0|3,0,0]=4 595 B6R0.3 CSC(F)C(=O)[O-] 62a_200000210301_100020610796 [0,1,0,0,0,0|3,0,0]=4 596 B6R0.3 C[C@@H](N[13CH3])C(=O)N 2230a_100000119354_200025704644 [0,1,0,0,0,0|3,0,0]=4 597 B6R0.3 C[C@@H](N[13CH3])C(=O)N 34a_100000119354_200025704644 [0,1,0,0,0,0|3,0,0]=4 598 B6R0.3 C[C@@H](O[13CH3])C(=O)N 34a_100000731257_200025704644 [0,1,0,0,0,0|3,0,0]=4 599 B6R0.3 C[C@@H](O[13CH3])C(=O)N 7a_100000731257_200025704644 [0,1,0,0,0,0|3,0,0]=4 600 B6R0.3 C[C@H](CO)N(C)C 269982a_100102631434_100016084084 [0,1,0,0,0,0|2,0,0]=3 601 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [0,1,0,0,0,0|3,0,0]=4 602 B6R0.3 C[C@H](O[13CH3])C(=O)[O-] 7a_217856618621_200025704644 [0,1,0,0,0,0|3,0,0]=4 603 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [0,1,0,0,0,0|0,0,0]=1 604 B6R0.3 [13CH3]SC(F)C(=O)N 62a_100009813875_200025704644 [0,1,0,0,0,0|3,0,0]=4 605 B6R0.3 [13CH3]SC(F)C(=O)N 62a_200025704644_100009813875 [0,1,0,0,0,0|3,0,0]=4 606 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_100020610796_200025704644 [0,1,0,0,0,0|3,0,0]=4 607 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_200025704644_100020610796 [0,1,0,0,0,0|3,0,0]=4 608 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [0,1,0,0,0,0|1,0,0]=2 609 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [0,1,0,0,0,0|1,0,0]=2 610 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [0,1,0,0,0,0|1,0,0]=2 611 B6R0.4 C#CCCN(C)C 2230a_100102631434_100000688953 [0,1,0,0,0,0|3,0,0]=4 612 B6R0.4 C#CCCN(C)C 269982a_100102631434_100000730999 [0,1,0,0,0,0|3,0,0]=4 613 B6R0.4 C#CCNC(=O)C 11a_100000212058_100015343762 [0,1,0,0,0,0|1,0,1]=3 614 B6R0.4 C#CCNC(=O)C 1626a_100000212058_100015343762 [0,1,0,0,0,0|1,0,1]=3 615 B6R0.4 C#CCNC(=O)C 240690a_100000212058_100015343762 [0,1,0,0,0,0|1,0,1]=3 616 B6R0.4 C#CCNC(=O)C 527a_100000212058_100103153847 [0,1,0,0,0,0|1,0,1]=3 617 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [0,1,0,0,0,0|1,0,1]=3 618 B6R0.4 C=C(Br)CCOC 34a_100009813270_200000210301 [0,1,0,0,0,0|1,0,1]=3 619 B6R0.4 C=C(Br)CCO[13CH3] 34a_100009813270_200025704644 [0,1,0,0,0,0|1,0,1]=3 620 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [0,1,0,0,0,0|2,0,0]=3 621 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [0,1,0,0,0,0|2,0,0]=3 622 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [0,1,0,0,0,0|2,0,0]=3 623 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [0,1,0,0,0,0|1,0,0]=2 624 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [0,1,0,0,0,0|1,0,0]=2 625 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [0,1,0,0,0,0|1,0,0]=2 626 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [0,1,0,0,0,0|1,1,0]=3 627 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [0,1,0,0,0,0|1,1,0]=3 628 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [0,1,0,0,0,0|1,1,0]=3 629 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [0,1,0,0,0,0|1,1,0]=3 630 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [0,1,0,0,0,0|2,0,0]=3 631 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [0,1,0,0,0,0|2,0,0]=3 632 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [0,1,0,0,0,0|2,0,0]=3 633 B6R0.4 C=C(C)COCF 34a_100000210245_100015361967 [0,1,0,0,0,0|2,0,0]=3 634 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [0,1,0,0,0,0|2,0,0]=3 635 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [0,1,0,0,0,0|2,0,0]=3 636 B6R0.4 C=C(C)CSCF 62a_100000748629_100015361967 [0,1,0,0,0,0|2,0,0]=3 637 B6R0.4 C=C(C)CSCF 62a_100015361967_100000211660 [0,1,0,0,0,0|2,0,0]=3 638 B6R0.4 C=C(F)CNCC 2230a_100015525214_100009893438 [0,1,0,0,0,0|2,0,1]=4 639 B6R0.4 C=C(F)COCC 34a_100121572206_100009893438 [0,1,0,0,0,0|2,0,1]=4 640 B6R0.4 C=C(F)COCC 34a_200010262243_100000210202 [0,1,0,0,0,0|2,0,1]=4 641 B6R0.4 C=C(F)COCF 34a_200010262243_100015361967 [0,1,0,0,0,0|2,0,1]=4 642 B6R0.4 C=C(F)CSCC 62a_100000042424_100000210202 [0,1,0,0,0,0|2,0,1]=4 643 B6R0.4 C=C(F)CSCC 62a_100000210202_100000042424 [0,1,0,0,0,0|2,0,1]=4 644 B6R0.4 C=C(F)CSCF 62a_100000042424_100015361967 [0,1,0,0,0,0|2,0,1]=4 645 B6R0.4 C=C(F)CSCF 62a_100015361967_100000042424 [0,1,0,0,0,0|2,0,1]=4 646 B6R0.4 C=CC=CC(=O)C 1458a_100016291481_200000210301 [0,1,0,0,0,0|1,0,2]=4 647 B6R0.4 C=CC=CC(=O)[13CH3] 1458a_100016291481_200025704644 [0,1,0,0,0,0|1,0,2]=4 648 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [0,1,0,0,0,0|1,0,0]=2 649 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [0,1,0,0,0,0|1,0,0]=2 650 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [0,1,0,0,0,0|1,0,0]=2 651 B6R0.4 C=CCCN(C)C 2230a_100020639649_200000210301 [0,1,0,0,0,0|3,0,0]=4 652 B6R0.4 C=CCCN(C)C 2230a_100102631434_100000754431 [0,1,0,0,0,0|3,0,0]=4 653 B6R0.4 C=CCCN(C)C 269982a_100020639649_200000210301 [0,1,0,0,0,0|3,0,0]=4 654 B6R0.4 C=CCCN(C)C 269982a_100102631434_100000754431 [0,1,0,0,0,0|3,0,0]=4 655 B6R0.4 C=CCCN(C)[13CH3] 2230a_100020639649_200025704644 [0,1,0,0,0,0|3,0,0]=4 656 B6R0.4 C=CCCN(C)[13CH3] 269982a_100020639649_200025704644 [0,1,0,0,0,0|3,0,0]=4 657 B6R0.4 C=CCNC(=O)C 1626a_100020586998_100015343762 [0,1,0,0,0,0|1,0,1]=3 658 B6R0.4 C=CCNC(=O)C 240690a_100020586998_100015343762 [0,1,0,0,0,0|1,0,1]=3 659 B6R0.4 C=CCNC(=O)C 527a_100020586998_100103153847 [0,1,0,0,0,0|1,0,1]=3 660 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [0,1,0,0,0,0|1,0,1]=3 661 B6R0.4 CC(=CCN[13CH3])C 34a_100000718196_200025704644 [0,1,0,0,0,0|2,0,1]=4 662 B6R0.4 CC(=CCO[13CH3])C 34a_100000753907_200025704644 [0,1,0,0,0,0|1,0,1]=3 663 B6R0.4 CC(=CCS[13CH3])C 62a_100000761012_200025704644 [0,1,0,0,0,0|1,1,1]=4 664 B6R0.4 CC(=CCS[13CH3])C 62a_200025704644_100000761012 [0,1,0,0,0,0|1,1,1]=4 665 B6R0.4 CC(=O)C#CCO 1458a_100000049017_200000210301 [0,1,0,0,0,0|0,0,1]=2 666 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [0,1,0,0,0,0|1,0,0]=2 667 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [0,1,0,0,0,0|1,0,0]=2 668 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [0,1,0,0,0,0|1,0,0]=2 669 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [0,1,0,0,0,0|0,0,0]=1 670 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [0,1,0,0,0,0|0,0,0]=1 671 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [0,1,0,0,0,0|0,0,0]=1 672 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [0,1,0,0,0,0|0,1,0]=2 673 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [0,1,0,0,0,0|0,1,0]=2 674 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [0,1,0,0,0,0|1,0,0]=2 675 B6R0.4 CC(=O)NCC#N 1626a_100000734998_100015343762 [0,1,0,0,0,0|1,0,1]=3 676 B6R0.4 CC(=O)NCC#N 527a_100000734998_100103153847 [0,1,0,0,0,0|1,0,1]=3 677 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [0,1,0,0,0,0|1,0,0]=2 678 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [0,1,0,0,0,0|1,0,0]=2 679 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [0,1,0,0,0,0|1,0,0]=2 680 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [0,1,0,0,0,0|1,0,0]=2 681 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [0,1,0,0,0,0|0,0,0]=1 682 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [0,1,0,0,0,0|0,0,0]=1 683 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [0,1,0,0,0,0|1,1,0]=3 684 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [0,1,0,0,0,0|1,1,0]=3 685 B6R0.4 CC(Br)CCO[13CH3] 34a_100009893172_200025704644 [0,1,0,0,0,0|1,0,1]=3 686 B6R0.4 CC(Br)COCF 34a_100012180447_100015361967 [0,1,0,0,0,0|2,0,1]=4 687 B6R0.4 CC(C)CCO[13CH3] 34a_100000210254_200025704644 [0,1,0,0,0,0|1,0,1]=3 688 B6R0.4 CC(C)CCO[13CH3] 7a_100000210254_200025704644 [0,1,0,0,0,0|1,0,1]=3 689 B6R0.4 CC(C)CCS[13CH3] 62a_100000210312_200025704644 [0,1,0,0,0,0|1,1,1]=4 690 B6R0.4 CC(C)CCS[13CH3] 62a_200025704644_100000210312 [0,1,0,0,0,0|1,1,1]=4 691 B6R0.4 CC(C)CNCF 34a_100000210953_100015361967 [0,1,0,0,0,0|2,0,1]=4 692 B6R0.4 CC(C)COCF 34a_100000210257_100015361967 [0,1,0,0,0,0|2,0,1]=4 693 B6R0.4 CC(C)CSCF 62a_100000210624_100015361967 [0,1,0,0,0,0|2,0,1]=4 694 B6R0.4 CC(C)CSCF 62a_100015361967_100000210760 [0,1,0,0,0,0|2,0,1]=4 695 B6R0.4 CC(C)NCCF 2230a_100138425928_100011217306 [0,1,0,0,0,0|2,0,1]=4 696 B6R0.4 CC(C)NCCF 34a_100000724931_100000210206 [0,1,0,0,0,0|2,0,1]=4 697 B6R0.4 CC(C)NCCF 34a_100138425928_100011217306 [0,1,0,0,0,0|2,0,1]=4 698 B6R0.4 CC(C)NCCO 2230a_100016997473_100000210206 [0,1,0,0,0,0|1,0,1]=3 699 B6R0.4 CC(C)NCCO 2230a_100138425928_100000211926 [0,1,0,0,0,0|1,0,1]=3 700 B6R0.4 CC(C)NCCO 34a_100016990907_100000210206 [0,1,0,0,0,0|1,0,1]=3 701 B6R0.4 CC(C)NCCO 34a_100138425928_100000211926 [0,1,0,0,0,0|1,0,1]=3 702 B6R0.4 CC(C)OCCBr 34a_100000211926_100000210206 [0,1,0,0,0,0|2,0,1]=4 703 B6R0.4 CC(C)OCCF 34a_100000212225_100011217306 [0,1,0,0,0,0|2,0,1]=4 704 B6R0.4 CC(C)OCCN 34a_100000210304_100000210206 [0,1,0,0,0,0|2,0,1]=4 705 B6R0.4 CC(C)OCCO 34a_100000212225_100000211926 [0,1,0,0,0,0|1,0,1]=3 706 B6R0.4 CC(C)SCCF 62a_100000210206_100011217306 [0,1,0,0,0,0|2,0,1]=4 707 B6R0.4 CC(C)SCCF 62a_100011217306_100000210206 [0,1,0,0,0,0|2,0,1]=4 708 B6R0.4 CC(C)SCCO 62a_100000210206_100000211926 [0,1,0,0,0,0|1,0,1]=3 709 B6R0.4 CC(C)SCCO 62a_100000211926_100000210206 [0,1,0,0,0,0|1,0,1]=3 710 B6R0.4 CC(F)COCF 34a_100015925927_100015361967 [0,1,0,0,0,0|2,0,1]=4 711 B6R0.4 CC(O)CCN[13CH3] 2230a_200000755665_200025704644 [0,1,0,0,0,0|1,0,2]=4 712 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [0,1,0,0,0,0|0,1,2]=4 713 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [0,1,0,0,0,0|0,1,2]=4 714 B6R0.4 CC(O)CNCF 34a_100000210904_100015361967 [0,1,0,0,0,0|1,0,2]=4 715 B6R0.4 CC(O)CSCF 62a_100011218427_100015361967 [0,1,0,0,0,0|1,0,2]=4 716 B6R0.4 CC(O)CSCF 62a_100015361967_100011218427 [0,1,0,0,0,0|1,0,2]=4 717 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [0,1,0,0,0,0|1,0,1]=3 718 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [0,1,0,0,0,0|1,0,1]=3 719 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [0,1,0,0,0,0|1,0,1]=3 720 B6R0.4 CC=NNC(=O)C 4a_100000189765_200000210099 [0,1,0,0,0,0|2,0,1]=4 721 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [0,1,0,0,0,0|1,0,1]=3 722 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [0,1,0,0,0,0|1,0,1]=3 723 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [0,1,0,0,0,0|1,0,1]=3 724 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [0,1,0,0,0,0|1,0,1]=3 725 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [0,1,0,0,0,0|1,0,0]=2 726 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [0,1,0,0,0,0|1,0,0]=2 727 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [0,1,0,0,0,0|1,0,0]=2 728 B6R0.4 CCCCN(C)C 2230a_100000207549_200000210301 [0,1,0,0,0,0|3,0,0]=4 729 B6R0.4 CCCCN(C)C 2230a_100102631434_100000210211 [0,1,0,0,0,0|3,0,0]=4 730 B6R0.4 CCCCN(C)C 269982a_100000207549_200000210301 [0,1,0,0,0,0|3,0,0]=4 731 B6R0.4 CCCCN(C)C 269982a_100102631434_100000210211 [0,1,0,0,0,0|3,0,0]=4 732 B6R0.4 CCCCN(C)[13CH3] 2230a_100000207549_200025704644 [0,1,0,0,0,0|3,0,0]=4 733 B6R0.4 CCCCN(C)[13CH3] 269982a_100000207549_200025704644 [0,1,0,0,0,0|3,0,0]=4 734 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [0,1,0,0,0,0|1,0,0]=2 735 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [0,1,0,0,0,0|1,0,0]=2 736 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [0,1,0,0,0,0|1,0,0]=2 737 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [0,1,0,0,0,0|1,0,0]=2 738 B6R0.4 CCCNC(C)C 2230a_100138425928_100000210303 [0,1,0,0,0,0|2,0,1]=4 739 B6R0.4 CCCNC(C)C 34a_100138425928_100000210303 [0,1,0,0,0,0|2,0,1]=4 740 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [0,1,0,0,0,0|2,0,1]=4 741 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [0,1,0,0,0,0|2,0,1]=4 742 B6R0.4 CCCSC(C)C 62a_100000210206_100000210303 [0,1,0,0,0,0|2,0,1]=4 743 B6R0.4 CCCSC(C)C 62a_100000210303_100000210206 [0,1,0,0,0,0|2,0,1]=4 744 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [0,1,0,0,0,0|2,0,0]=3 745 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [0,1,0,0,0,0|2,0,0]=3 746 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [0,1,0,0,0,0|2,0,0]=3 747 B6R0.4 CCNCC(C)C 2230a_100000210953_100000210202 [0,1,0,0,0,0|2,0,1]=4 748 B6R0.4 CCNCC(C)C 2230a_100015525214_100000210760 [0,1,0,0,0,0|2,0,1]=4 749 B6R0.4 CCNCC(C)C 270004a_100015525214_100000210432 [0,1,0,0,0,0|2,0,1]=4 750 B6R0.4 CCNCC(C)C 34a_100000210953_100000210202 [0,1,0,0,0,0|2,0,1]=4 751 B6R0.4 CCNCC(C)O 2230a_100000210904_100000210202 [0,1,0,0,0,0|1,0,2]=4 752 B6R0.4 CCNCC(C)O 2230a_100015525214_100011218427 [0,1,0,0,0,0|1,0,2]=4 753 B6R0.4 CCNCC(C)O 34a_100000210904_100000210202 [0,1,0,0,0,0|1,0,2]=4 754 B6R0.4 CCNC[C@@H](C)O 2230a_100015525214_100009817552 [0,1,0,0,0,0|1,0,2]=4 755 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [0,1,0,0,0,0|2,0,0]=3 756 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [0,1,0,0,0,0|1,0,0]=2 757 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [0,1,0,0,0,0|1,0,0]=2 758 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [0,1,0,0,0,0|2,0,0]=3 759 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [0,1,0,0,0,0|1,0,0]=2 760 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [0,1,0,0,0,0|2,0,0]=3 761 B6R0.4 CCOCC(C)Br 34a_100012180447_100000210202 [0,1,0,0,0,0|2,0,1]=4 762 B6R0.4 CCOCC(C)C 34a_100000210257_100000210202 [0,1,0,0,0,0|2,0,1]=4 763 B6R0.4 CCOCC(C)C 34a_100121572206_100000210624 [0,1,0,0,0,0|2,0,1]=4 764 B6R0.4 CCOCC(C)F 34a_100015925927_100000210202 [0,1,0,0,0,0|2,0,1]=4 765 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [0,1,0,0,0,0|1,0,2]=4 766 B6R0.4 CCOCN(C)C 269982a_100102631434_100000739092 [0,1,0,0,0,0|3,0,0]=4 767 B6R0.4 CCOC[C@@H](C)Cl 34a_100016084084_100000210202 [0,1,0,0,0,0|2,0,1]=4 768 B6R0.4 CCOC[C@@H](C)N 34a_100000737577_100000210202 [0,1,0,0,0,0|2,0,1]=4 769 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [0,1,0,0,0,0|1,0,2]=4 770 B6R0.4 CCOC[N+](=O)[O-] 34a_100121572206_100000761209 [0,1,0,0,0,0|3,0,0]=4 771 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [0,1,0,0,0,0|1,0,0]=2 772 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [0,1,0,0,0,0|2,0,0]=3 773 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [0,1,0,0,0,0|2,0,0]=3 774 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [0,1,0,0,0,0|1,0,0]=2 775 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [0,1,0,0,0,0|2,0,0]=3 776 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [0,1,0,0,0,0|2,0,0]=3 777 B6R0.4 CCSCC(C)C 62a_100000210202_100000210760 [0,1,0,0,0,0|2,0,1]=4 778 B6R0.4 CCSCC(C)C 62a_100000210624_100000210202 [0,1,0,0,0,0|2,0,1]=4 779 B6R0.4 CCSCC(C)O 62a_100000210202_100011218427 [0,1,0,0,0,0|1,0,2]=4 780 B6R0.4 CCSCC(C)O 62a_100011218427_100000210202 [0,1,0,0,0,0|1,0,2]=4 781 B6R0.4 CCSC[C@@H](C)O 62a_100000210202_100009817552 [0,1,0,0,0,0|1,0,2]=4 782 B6R0.4 CCSC[C@@H](C)O 62a_100009817552_100000210202 [0,1,0,0,0,0|1,0,2]=4 783 B6R0.4 CCSC[N+](=O)[O-] 62a_100000210202_100000761209 [0,1,0,0,0,0|3,0,0]=4 784 B6R0.4 CN(C)CCC#N 2230a_100000184479_200000210301 [0,1,0,0,0,0|3,0,0]=4 785 B6R0.4 CN(C)CCC#N 2230a_100102631434_100011215226 [0,1,0,0,0,0|3,0,0]=4 786 B6R0.4 CN(C)CCC#N 269982a_100102631434_100011215226 [0,1,0,0,0,0|3,0,0]=4 787 B6R0.4 CN(C)CCCF 2230a_100102631434_100011934791 [0,1,0,0,0,0|3,0,0]=4 788 B6R0.4 CN(C)CCCF 269982a_100102631434_100011934791 [0,1,0,0,0,0|3,0,0]=4 789 B6R0.4 CN(C)CCCO 2230a_100000213112_200000210301 [0,1,0,0,0,0|2,0,0]=3 790 B6R0.4 CN(C)CCCO 2230a_100102631434_100000230001 [0,1,0,0,0,0|2,0,0]=3 791 B6R0.4 CN(C)CCCO 269982a_100000213112_200000210301 [0,1,0,0,0,0|2,0,0]=3 792 B6R0.4 CN(C)CCCO 269982a_100102631434_100011215043 [0,1,0,0,0,0|2,0,0]=3 793 B6R0.4 CN(C)CCS[13CH3] 62a_200025704644_100000755713 [0,1,0,0,0,0|2,1,0]=4 794 B6R0.4 CN([13CH3])CCC#N 2230a_100000184479_200025704644 [0,1,0,0,0,0|3,0,0]=4 795 B6R0.4 CN([13CH3])CCCO 2230a_100000213112_200025704644 [0,1,0,0,0,0|2,0,0]=3 796 B6R0.4 CN([13CH3])CCCO 269982a_100000213112_200025704644 [0,1,0,0,0,0|2,0,0]=3 797 B6R0.4 CNCC=C(C)C 2230a_106832991635_100000761012 [0,1,0,0,0,0|2,0,1]=4 798 B6R0.4 CNCC=C(C)C 34a_100000718196_200000210301 [0,1,0,0,0,0|2,0,1]=4 799 B6R0.4 CNCC=C(C)C 34a_100102657272_100000761012 [0,1,0,0,0,0|2,0,1]=4 800 B6R0.4 CNCC=C(C)C 7a_106832991635_100000761012 [0,1,0,0,0,0|2,0,1]=4 801 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [0,1,0,0,0,0|1,0,0]=2 802 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [0,1,0,0,0,0|2,0,0]=3 803 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [0,1,0,0,0,0|2,0,0]=3 804 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [0,1,0,0,0,0|2,0,0]=3 805 B6R0.4 CNCCC(C)C 2230a_106832991635_100000210312 [0,1,0,0,0,0|2,0,1]=4 806 B6R0.4 CNCCC(C)C 269862a_106832991636_100000185833 [0,1,0,0,0,0|2,0,1]=4 807 B6R0.4 CNCCC(C)C 34a_100102657272_100000210312 [0,1,0,0,0,0|2,0,1]=4 808 B6R0.4 CNCCC(C)C 7a_106832991635_100000210626 [0,1,0,0,0,0|2,0,1]=4 809 B6R0.4 CNCCC(C)O 2230a_106832991635_100012276601 [0,1,0,0,0,0|1,0,2]=4 810 B6R0.4 CNCCC(C)O 2230a_200000755665_200000210301 [0,1,0,0,0,0|1,0,2]=4 811 B6R0.4 CNCCC(C)O 34a_100102657272_100012276601 [0,1,0,0,0,0|1,0,2]=4 812 B6R0.4 CNCCC(C)O 7a_106832991635_100012276601 [0,1,0,0,0,0|1,0,2]=4 813 B6R0.4 CNCCN(C)C 7a_106832991635_100000755713 [0,1,0,0,0,0|3,0,0]=4 814 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [0,1,0,0,0,0|2,0,0]=3 815 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [0,1,0,0,0,0|3,0,0]=4 816 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [0,1,0,0,0,0|0,0,2]=3 817 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [0,1,0,0,0,0|0,0,2]=3 818 B6R0.4 COCC=C(C)C 34a_100000753907_200000210301 [0,1,0,0,0,0|1,0,1]=3 819 B6R0.4 COCC=C(C)C 34a_100138415774_100000761012 [0,1,0,0,0,0|1,0,1]=3 820 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [0,1,0,0,0,0|0,0,0]=1 821 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [0,1,0,0,0,0|0,0,0]=1 822 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [0,1,0,0,0,0|0,0,0]=1 823 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [0,1,0,0,0,0|0,0,0]=1 824 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [0,1,0,0,0,0|1,0,0]=2 825 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [0,1,0,0,0,0|1,0,0]=2 826 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [0,1,0,0,0,0|1,0,0]=2 827 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [0,1,0,0,0,0|0,0,0]=1 828 B6R0.4 COCCC(C)Br 34a_100009893172_200000210301 [0,1,0,0,0,0|1,0,1]=3 829 B6R0.4 COCCC(C)C 34a_100000210254_200000210301 [0,1,0,0,0,0|1,0,1]=3 830 B6R0.4 COCCC(C)C 34a_100138415774_100000210312 [0,1,0,0,0,0|1,0,1]=3 831 B6R0.4 COCCC(C)C 7a_100000210254_200000210301 [0,1,0,0,0,0|1,0,1]=3 832 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [0,1,0,0,0,0|0,0,2]=3 833 B6R0.4 COCCC(F)F 34a_100103093639_200000210301 [0,1,0,0,0,0|2,0,1]=4 834 B6R0.4 COCCN(C)C 2230a_100000743101_200000210301 [0,1,0,0,0,0|2,0,0]=3 835 B6R0.4 COCCN(C)C 2230a_100102631434_100011201679 [0,1,0,0,0,0|2,0,0]=3 836 B6R0.4 COCCN(C)C 269982a_100000743101_200000210301 [0,1,0,0,0,0|2,0,0]=3 837 B6R0.4 COCCN(C)C 269982a_100102631434_100000233755 [0,1,0,0,0,0|2,0,0]=3 838 B6R0.4 COCCN(C)[13CH3] 2230a_100000743101_200025704644 [0,1,0,0,0,0|2,0,0]=3 839 B6R0.4 COCCN(C)[13CH3] 269982a_100000743101_200025704644 [0,1,0,0,0,0|2,0,0]=3 840 B6R0.4 COCC[C@@H](C)N 34a_100000706166_200000210301 [0,1,0,0,0,0|1,0,1]=3 841 B6R0.4 COCNC(C)C 2230a_100138425928_100000766300 [0,1,0,0,0,0|2,0,1]=4 842 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [0,1,0,0,0,0|1,0,0]=2 843 B6R0.4 COCOC(C)C 34a_100138415774_100000709892 [0,1,0,0,0,0|2,0,1]=4 844 B6R0.4 COCSC(C)C 62a_100000210206_100000766300 [0,1,0,0,0,0|2,0,1]=4 845 B6R0.4 COCSC(C)C 62a_100000766300_100000210206 [0,1,0,0,0,0|2,0,1]=4 846 B6R0.4 CSCC=C(C)C 62a_100000761012_200000210301 [0,1,0,0,0,0|1,1,1]=4 847 B6R0.4 CSCC=C(C)C 62a_200000210301_100000761012 [0,1,0,0,0,0|1,1,1]=4 848 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [0,1,0,0,0,0|0,1,0]=2 849 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [0,1,0,0,0,0|0,1,0]=2 850 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [0,1,0,0,0,0|0,1,0]=2 851 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [0,1,0,0,0,0|0,1,0]=2 852 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [0,1,0,0,0,0|1,1,0]=3 853 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [0,1,0,0,0,0|1,1,0]=3 854 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [0,1,0,0,0,0|0,1,0]=2 855 B6R0.4 CSCCC(C)C 62a_100000210312_200000210301 [0,1,0,0,0,0|1,1,1]=4 856 B6R0.4 CSCCC(C)C 62a_200000210301_100000210312 [0,1,0,0,0,0|1,1,1]=4 857 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [0,1,0,0,0,0|0,1,2]=4 858 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [0,1,0,0,0,0|0,1,2]=4 859 B6R0.4 CSCCN(C)C 2230a_100000686725_200000210301 [0,1,0,0,0,0|2,1,0]=4 860 B6R0.4 CSCCN(C)C 2230a_100102631434_100000751147 [0,1,0,0,0,0|2,1,0]=4 861 B6R0.4 CSCCN(C)C 269982a_100000686725_200000210301 [0,1,0,0,0,0|2,1,0]=4 862 B6R0.4 CSCCN(C)C 269982a_100102631434_100000212216 [0,1,0,0,0,0|2,1,0]=4 863 B6R0.4 CSCCN(C)C 62a_200000210301_100000755713 [0,1,0,0,0,0|2,1,0]=4 864 B6R0.4 CSCCN(C)[13CH3] 2230a_100000686725_200025704644 [0,1,0,0,0,0|2,1,0]=4 865 B6R0.4 CSCCN(C)[13CH3] 269982a_100000686725_200025704644 [0,1,0,0,0,0|2,1,0]=4 866 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [0,1,0,0,0,0|1,1,0]=3 867 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [0,1,0,0,0,0|1,1,0]=3 868 B6R0.4 C[C@@H](Cl)COCF 34a_100016084084_100015361967 [0,1,0,0,0,0|2,0,1]=4 869 B6R0.4 C[C@@H](N)CCO[13CH3] 34a_100000706166_200025704644 [0,1,0,0,0,0|1,0,1]=3 870 B6R0.4 C[C@@H](N)COCF 34a_100000737577_100015361967 [0,1,0,0,0,0|2,0,1]=4 871 B6R0.4 C[C@@H](O)CSCF 62a_100009817552_100015361967 [0,1,0,0,0,0|1,0,2]=4 872 B6R0.4 C[C@@H](O)CSCF 62a_100015361967_100009817552 [0,1,0,0,0,0|1,0,2]=4 873 B6R0.4 NC(=O)CSCF 62a_100000747473_100015361967 [0,1,0,0,0,0|2,0,0]=3 874 B6R0.4 NC(=O)CSCF 62a_100015361967_100000747473 [0,1,0,0,0,0|2,0,0]=3 875 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [0,1,0,0,0,0|2,0,0]=3 876 B6R0.4 O=C([O-])CSCF 62a_100015361967_100020667443 [0,1,0,0,0,0|2,0,0]=3 877 B6R0.4 O=C([O-])CSCF 62a_100020667443_100015361967 [0,1,0,0,0,0|2,0,0]=3 878 B6R0.4 O=[N+]([O-])CSCF 62a_100015361967_100000761209 [0,1,0,0,0,0|3,0,0]=4 879 B6R0.4 [13CH3]C(=O)C#CCO 1458a_100000049017_200025704644 [0,1,0,0,0,0|0,0,1]=2 880 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [0,1,0,0,0,0|1,0,0]=2 881 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [0,1,0,0,0,0|3,0,0]=4 882 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [0,1,0,0,0,0|1,0,0]=2 883 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [0,1,0,0,0,0|1,0,0]=2 884 B6R0.4 [13CH3]OCCC(F)F 34a_100103093639_200025704644 [0,1,0,0,0,0|2,0,1]=4 885 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [0,1,0,0,0,0|1,1,0]=3 886 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [0,1,0,0,0,0|1,1,0]=3 887 B6R0.5 CCNS(=O)(=O)C 40a_100015525214_100000738038 [0,1,0,0,0,0|3,0,0]=4 888 B6R1.2 CN1CCCC1 2230a_100000188435_200000210301 [0,0,0,1,0,0|3,0,0]=4 889 B6R1.2 CN1CCCC1 269982a_100000188435_200000210301 [0,0,0,1,0,0|3,0,0]=4 890 B6R1.2 CN1CCSC1 2230a_100011215254_200000210301 [0,0,0,1,0,0|2,1,0]=4 891 B6R1.2 CN1CCSC1 269982a_100011215254_200000210301 [0,0,0,1,0,0|2,1,0]=4 892 B6R1.2 [13CH3]N1CCCC1 2230a_100000188435_200025704644 [0,0,0,1,0,0|3,0,0]=4 893 B6R1.2 [13CH3]N1CCCC1 269982a_100000188435_200025704644 [0,0,0,1,0,0|3,0,0]=4 894 B6R1.2 [13CH3]N1CCSC1 2230a_100011215254_200025704644 [0,0,0,1,0,0|2,1,0]=4 895 B6R1.2 [13CH3]N1CCSC1 269982a_100011215254_200025704644 [0,0,0,1,0,0|2,1,0]=4 896 B6R1.5 CC1CN(C1)C 2230a_100000702820_200000210301 [0,0,0,1,0,0|3,0,0]=4 897 B6R1.5 CC1CN(C1)C 269982a_100000702820_200000210301 [0,0,0,1,0,0|3,0,0]=4 898 B6R1.5 CC1CN(C1)C 34a_100000702820_200000210301 [0,0,0,1,0,0|3,0,0]=4 899 B6R1.5 CC1CN(C1)[13CH3] 2230a_100000702820_200025704644 [0,0,0,1,0,0|3,0,0]=4 900 B6R1.5 CC1CN(C1)[13CH3] 269982a_100000702820_200025704644 [0,0,0,1,0,0|3,0,0]=4 901 B6R1.5 CC1CN(C1)[13CH3] 34a_100000702820_200025704644 [0,0,0,1,0,0|3,0,0]=4 902 B6R1.5 CN1CC(C1)F 2230a_100000690557_200000210301 [0,0,0,1,0,0|3,0,0]=4 903 B6R1.5 CN1CC(C1)F 269982a_100000690557_200000210301 [0,0,0,1,0,0|3,0,0]=4 904 B6R1.5 CN1CC(C1)F 34a_100000690557_200000210301 [0,0,0,1,0,0|3,0,0]=4 905 B6R1.5 CN1CC(C1)O 269982a_100000749847_200000210301 [0,0,0,1,0,0|2,0,0]=3 906 B6R1.5 [13CH3]N1CC(C1)F 2230a_100000690557_200025704644 [0,0,0,1,0,0|3,0,0]=4 907 B6R1.5 [13CH3]N1CC(C1)F 269982a_100000690557_200025704644 [0,0,0,1,0,0|3,0,0]=4 908 B6R1.5 [13CH3]N1CC(C1)F 34a_100000690557_200025704644 [0,0,0,1,0,0|3,0,0]=4 909 B6R1.5 [13CH3]N1CC(C1)O 269982a_100000749847_200025704644 [0,0,0,1,0,0|2,0,0]=3 910 B6R1.11 CC(=O)C1CC1 1458a_100000210395_200000210301 [0,0,0,1,0,0|1,0,0]=2 911 B6R1.11 CC(=O)C1CO1 1458a_100000701028_200000210301 [0,0,0,1,0,0|0,0,0]=1 912 B6R1.11 CN(C)C1CC1 2230a_100000226674_200000210301 [0,0,0,1,0,0|3,0,0]=4 913 B6R1.11 CN(C)C1CC1 269982a_100000226674_200000210301 [0,0,0,1,0,0|3,0,0]=4 914 B6R1.11 CN(C)C1CC1 269982a_100102631434_100000211595 [0,0,0,1,0,0|3,0,0]=4 915 B6R1.11 CN([13CH3])C1CC1 2230a_100000226674_200025704644 [0,0,0,1,0,0|3,0,0]=4 916 B6R1.11 CN([13CH3])C1CC1 269982a_100000226674_200025704644 [0,0,0,1,0,0|3,0,0]=4 917 B6R1.11 [13CH3]C(=O)C1CC1 1458a_100000210395_200025704644 [0,0,0,1,0,0|1,0,0]=2 918 B6R1.11 [13CH3]C(=O)C1CO1 1458a_100000701028_200025704644 [0,0,0,1,0,0|0,0,0]=1 919 B3R0.1 CCNC 2230a_100015525214_200000210301 [2,0,0,0,0,0|1,0,0]=3 920 B3R0.1 CCNC 2230a_106832991635_100000210202 [2,0,0,0,0,0|1,0,0]=3 921 B3R0.1 CCNC 34a_100102657272_100000210202 [2,0,0,0,0,0|1,0,0]=3 922 B3R0.1 CCNC 7a_106832991635_100000210202 [2,0,0,0,0,0|1,0,0]=3 923 B3R0.1 CCN[13CH3] 2230a_100015525214_200025704644 [2,0,0,0,0,0|1,0,0]=3 924 B3R0.1 CCOC 34a_100121572206_200000210301 [2,0,0,0,0,0|1,0,0]=3 925 B3R0.1 CCOC 34a_100138415774_100000210202 [2,0,0,0,0,0|1,0,0]=3 926 B3R0.1 CCO[13CH3] 34a_100121572206_200025704644 [2,0,0,0,0,0|1,0,0]=3 927 B3R0.1 CCSC 62a_100000210202_200000210301 [2,0,0,0,0,0|1,0,0]=3 928 B3R0.1 CCSC 62a_200000210301_100000210202 [2,0,0,0,0,0|1,0,0]=3 929 B3R0.1 CCS[13CH3] 62a_100000210202_200025704644 [2,0,0,0,0,0|1,0,0]=3 930 B3R0.1 CCS[13CH3] 62a_200025704644_100000210202 [2,0,0,0,0,0|1,0,0]=3 931 B3R0.1 CNCF 34a_100102657272_100015361967 [2,0,0,0,0,0|2,0,0]=4 932 B3R0.1 CNCF 7a_106832991635_100015361967 [2,0,0,0,0,0|2,0,0]=4 933 B3R0.1 COCF 34a_100138415774_100015361967 [2,0,0,0,0,0|2,0,0]=4 934 B3R0.1 CSCF 62a_100015361967_200000210301 [2,0,0,0,0,0|2,0,0]=4 935 B3R0.1 CSCF 62a_200000210301_100015361967 [2,0,0,0,0,0|2,0,0]=4 936 B3R0.1 [13CH3]SCF 62a_100015361967_200025704644 [2,0,0,0,0,0|2,0,0]=4 937 B3R0.1 [13CH3]SCF 62a_200025704644_100015361967 [2,0,0,0,0,0|2,0,0]=4 938 B3R0.2 CC(=O)C 1458a_100000070787_200000210301 [2,0,0,0,0,0|0,0,0]=2 939 B3R0.2 CC(=O)[13CH3] 1458a_100000070787_200025704644 [2,0,0,0,0,0|0,0,0]=2 940 B3R0.2 CN(C)C 2230a_100102631434_200000210301 [2,0,0,0,0,0|2,0,0]=4 941 B3R0.2 CN(C)C 269982a_100102631434_200000210301 [2,0,0,0,0,0|2,0,0]=4 942 B3R0.2 CN(C)[13CH3] 2230a_100102631434_200025704644 [2,0,0,0,0,0|2,0,0]=4 943 B3R0.2 CN(C)[13CH3] 269982a_100102631434_200025704644 [2,0,0,0,0,0|2,0,0]=4 944 B5R0.3 C#CC(=O)CC 1458a_100000211873_100000210202 [1,1,0,0,0,0|0,0,1]=3 945 B5R0.3 C#CC(=O)CF 1458a_100000211873_100015361967 [1,1,0,0,0,0|0,0,2]=4 946 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [1,1,0,0,0,0|0,0,1]=3 947 B5R0.3 C=CC(=O)CF 1458a_100000185746_100015361967 [1,1,0,0,0,0|0,0,2]=4 948 B5R0.3 C=CC(=O)NC 1626a_100102657272_100000185746 [1,1,0,0,0,0|0,0,2]=4 949 B5R0.3 C=CC(=O)NC 240690a_100102657272_200121576911 [1,1,0,0,0,0|0,0,2]=4 950 B5R0.3 CC(CO)S[13CH3] 62a_100012180447_200025704644 [1,1,0,0,0,0|0,1,1]=4 951 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [1,1,0,0,0,0|0,0,0]=2 952 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [1,1,0,0,0,0|0,0,0]=2 953 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [1,1,0,0,0,0|0,0,0]=2 954 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [1,1,0,0,0,0|0,0,0]=2 955 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [1,1,0,0,0,0|0,0,0]=2 956 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [1,1,0,0,0,0|0,0,0]=2 957 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [1,1,0,0,0,0|0,0,0]=2 958 B5R0.3 CCC(C)NC 2230a_100000209981_200000210301 [1,1,0,0,0,0|1,0,1]=4 959 B5R0.3 CCC(C)NC 2230a_106832991635_100000758301 [1,1,0,0,0,0|1,0,1]=4 960 B5R0.3 CCC(C)NC 34a_100102657272_100011215416 [1,1,0,0,0,0|1,0,1]=4 961 B5R0.3 CCC(C)NC 7a_106832991635_100000758301 [1,1,0,0,0,0|1,0,1]=4 962 B5R0.3 CCC(C)N[13CH3] 2230a_100000209981_200025704644 [1,1,0,0,0,0|1,0,1]=4 963 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [1,1,0,0,0,0|0,0,2]=4 964 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [1,1,0,0,0,0|0,0,2]=4 965 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [1,1,0,0,0,0|0,0,2]=4 966 B5R0.3 CCC(C)SC 62a_100000758301_200000210301 [1,1,0,0,0,0|0,1,1]=4 967 B5R0.3 CCC(C)SC 62a_200000210301_100000758301 [1,1,0,0,0,0|0,1,1]=4 968 B5R0.3 CCC(C)S[13CH3] 62a_100000758301_200025704644 [1,1,0,0,0,0|0,1,1]=4 969 B5R0.3 CCC(C)S[13CH3] 62a_200025704644_100000758301 [1,1,0,0,0,0|0,1,1]=4 970 B5R0.3 CCN(C)CC 2230a_100000225621_100000210202 [1,1,0,0,0,0|2,0,0]=4 971 B5R0.3 CCN(C)CC 2230a_100000724800_200000210301 [1,1,0,0,0,0|2,0,0]=4 972 B5R0.3 CCN(C)CC 269956a_100000042499_200000210301 [1,1,0,0,0,0|2,0,0]=4 973 B5R0.3 CCN(C)CC 269982a_100000225621_100000204670 [1,1,0,0,0,0|2,0,0]=4 974 B5R0.3 CCN(C)CC 269982a_100000724800_200000210301 [1,1,0,0,0,0|2,0,0]=4 975 B5R0.3 CCN(C)CF 269982a_100000225621_100015361967 [1,1,0,0,0,0|2,0,0]=4 976 B5R0.3 CCN([13CH3])CC 2230a_100000724800_200025704644 [1,1,0,0,0,0|2,0,0]=4 977 B5R0.3 CCN([13CH3])CC 269956a_100000042499_200025704644 [1,1,0,0,0,0|2,0,0]=4 978 B5R0.3 CCN([13CH3])CC 269982a_100000724800_200025704644 [1,1,0,0,0,0|2,0,0]=4 979 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [1,1,0,0,0,0|0,0,0]=2 980 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [1,1,0,0,0,0|0,0,0]=2 981 B5R0.3 CNC(=O)NC 2708a_100102657272_106832991635 [1,1,0,0,0,0|1,0,0]=3 982 B5R0.3 CNC(=O)NC 273464a_100102657272_100102657272 [1,1,0,0,0,0|1,0,0]=3 983 B5R0.3 CNC(=O)NC 512a_106832991638_100102657272 [1,1,0,0,0,0|1,0,0]=3 984 B5R0.3 CNC(C)CO 2230a_106832991635_100012180447 [1,1,0,0,0,0|1,0,1]=4 985 B5R0.3 CNC(C)CO 34a_100102657272_100012180447 [1,1,0,0,0,0|1,0,1]=4 986 B5R0.3 CNC(C)CO 7a_106832991635_100012180447 [1,1,0,0,0,0|1,0,1]=4 987 B5R0.3 CN[C@H](C)CO 2230a_100000737577_200000210301 [1,1,0,0,0,0|1,0,1]=4 988 B5R0.3 COC(C)CO 34a_100138415774_100012180447 [1,1,0,0,0,0|0,0,2]=4 989 B5R0.3 CSC(C)CO 62a_100012180447_200000210301 [1,1,0,0,0,0|0,1,1]=4 990 B5R0.3 CS[C@H](C)CO 62a_100016084084_200000210301 [1,1,0,0,0,0|0,1,1]=4 991 B5R0.3 CS[C@H](C)CO 62a_200000210301_100016084084 [1,1,0,0,0,0|0,1,1]=4 992 B5R0.3 C[C@H](CO)N[13CH3] 2230a_100000737577_200025704644 [1,1,0,0,0,0|1,0,1]=4 993 B5R0.3 C[C@H](CO)S[13CH3] 62a_100016084084_200025704644 [1,1,0,0,0,0|0,1,1]=4 994 B5R0.3 C[C@H](CO)S[13CH3] 62a_200025704644_100016084084 [1,1,0,0,0,0|0,1,1]=4 995 B5R0.3 O=C(CO)CF 1458a_100000210174_100015361967 [1,1,0,0,0,0|0,0,0]=2 996 B5R0.4 CNS(=O)(=O)C 40a_100102657272_100000738038 [1,1,0,0,0,0|2,0,0]=4 997 B5R0.5 C=C(C)C(=O)C 1458a_100000185857_200000210301 [1,1,0,0,0,0|0,0,1]=3 998 B5R0.5 C=C(C)C(=O)[13CH3] 1458a_100000185857_200025704644 [1,1,0,0,0,0|0,0,1]=3 999 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [1,1,0,0,0,0|0,0,0]=2 1000 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [1,1,0,0,0,0|0,0,0]=2 1001 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [1,1,0,0,0,0|0,0,0]=2 1002 B5R0.5 CC(=O)C(O)O 1458a_100000233687_200000210301 [1,1,0,0,0,0|0,0,0]=2 1003 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [1,1,0,0,0,0|1,0,0]=3 1004 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [1,1,0,0,0,0|1,0,0]=3 1005 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [1,1,0,0,0,0|1,0,0]=3 1006 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [1,1,0,0,0,0|1,0,0]=3 1007 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [1,1,0,0,0,0|0,0,0]=2 1008 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [1,1,0,0,0,0|0,0,0]=2 1009 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [1,1,0,0,0,0|0,0,0]=2 1010 B5R0.5 CC(C)N(C)C 2230a_100102631434_100000210206 [1,1,0,0,0,0|2,0,0]=4 1011 B5R0.5 CC(C)N(C)C 269982a_100102631434_100000210206 [1,1,0,0,0,0|2,0,0]=4 1012 B5R0.5 CC(C)N(C)C 269982a_200000211004_200000210301 [1,1,0,0,0,0|2,0,0]=4 1013 B5R0.5 CC(C)N(C)[13CH3] 269982a_200000211004_200025704644 [1,1,0,0,0,0|2,0,0]=4 1014 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [1,1,0,0,0,0|0,0,0]=2 1015 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [1,1,0,0,0,0|0,0,0]=2 1016 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [1,1,0,0,0,0|0,0,0]=2 1017 B5R0.5 [13CH3]C(=O)C(O)O 1458a_100000233687_200025704644 [1,1,0,0,0,0|0,0,0]=2 1018 B5R0.2 C#CCCNC 2230a_106832991635_100000688953 [1,1,0,0,0,0|2,0,0]=4 1019 B5R0.2 C#CCCNC 34a_100000755551_200000210301 [1,1,0,0,0,0|2,0,0]=4 1020 B5R0.2 C#CCCNC 34a_100102657272_100000688953 [1,1,0,0,0,0|2,0,0]=4 1021 B5R0.2 C#CCCNC 7a_106832991635_100000688953 [1,1,0,0,0,0|2,0,0]=4 1022 B5R0.2 C#CCCN[13CH3] 34a_100000755551_200025704644 [1,1,0,0,0,0|2,0,0]=4 1023 B5R0.2 C#CCCOC 34a_100011215631_200000210301 [1,1,0,0,0,0|0,0,2]=4 1024 B5R0.2 C#CCCOC 34a_100138415774_100000688953 [1,1,0,0,0,0|0,0,2]=4 1025 B5R0.2 C#CCCO[13CH3] 34a_100011215631_200025704644 [1,1,0,0,0,0|0,0,2]=4 1026 B5R0.2 C#CCCSC 62a_100000688953_200000210301 [1,1,0,0,0,0|2,0,0]=4 1027 B5R0.2 C#CCCSC 62a_200000210301_100000688953 [1,1,0,0,0,0|2,0,0]=4 1028 B5R0.2 C#CCCS[13CH3] 62a_100000688953_200025704644 [1,1,0,0,0,0|2,0,0]=4 1029 B5R0.2 C#CCCS[13CH3] 62a_200025704644_100000688953 [1,1,0,0,0,0|2,0,0]=4 1030 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [1,1,0,0,0,0|1,0,1]=4 1031 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [1,1,0,0,0,0|1,0,1]=4 1032 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [1,1,0,0,0,0|0,0,1]=3 1033 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [1,1,0,0,0,0|0,0,1]=3 1034 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [1,1,0,0,0,0|0,0,1]=3 1035 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [1,1,0,0,0,0|0,1,1]=4 1036 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [1,1,0,0,0,0|0,1,1]=4 1037 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [1,1,0,0,0,0|0,1,1]=4 1038 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [1,1,0,0,0,0|0,1,1]=4 1039 B5R0.2 C=CCCNC 2230a_100015191253_200000210301 [1,1,0,0,0,0|1,0,1]=4 1040 B5R0.2 C=CCCNC 2230a_106832991635_100000754431 [1,1,0,0,0,0|1,0,1]=4 1041 B5R0.2 C=CCCNC 34a_100102657272_100000754431 [1,1,0,0,0,0|1,0,1]=4 1042 B5R0.2 C=CCCNC 7a_106832991635_100000754431 [1,1,0,0,0,0|1,0,1]=4 1043 B5R0.2 C=CCCN[13CH3] 2230a_100015191253_200025704644 [1,1,0,0,0,0|1,0,1]=4 1044 B5R0.2 C=CCCOC 34a_100011205117_200000210301 [1,1,0,0,0,0|0,0,1]=3 1045 B5R0.2 C=CCCOC 34a_100138415774_100000754431 [1,1,0,0,0,0|0,0,1]=3 1046 B5R0.2 C=CCCO[13CH3] 34a_100011205117_200025704644 [1,1,0,0,0,0|0,0,1]=3 1047 B5R0.2 C=CCCSC 62a_100000754431_200000210301 [1,1,0,0,0,0|0,1,1]=4 1048 B5R0.2 C=CCCSC 62a_200000210301_100000754431 [1,1,0,0,0,0|0,1,1]=4 1049 B5R0.2 C=CCCS[13CH3] 62a_100000754431_200025704644 [1,1,0,0,0,0|0,1,1]=4 1050 B5R0.2 C=CCCS[13CH3] 62a_200025704644_100000754431 [1,1,0,0,0,0|0,1,1]=4 1051 B5R0.2 C=CCNCC 2230a_100015525214_100000210623 [1,1,0,0,0,0|1,0,1]=4 1052 B5R0.2 C=CCNCC 2230a_100020586998_100000210202 [1,1,0,0,0,0|1,0,1]=4 1053 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [1,1,0,0,0,0|1,0,1]=4 1054 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [1,1,0,0,0,0|1,0,1]=4 1055 B5R0.2 C=CCOCF 34a_200000210373_100015361967 [1,1,0,0,0,0|1,0,1]=4 1056 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [1,1,0,0,0,0|1,0,1]=4 1057 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [1,1,0,0,0,0|1,0,1]=4 1058 B5R0.2 C=CCSCF 62a_100000210623_100015361967 [1,1,0,0,0,0|1,0,1]=4 1059 B5R0.2 C=CCSCF 62a_100015361967_100000210623 [1,1,0,0,0,0|1,0,1]=4 1060 B5R0.2 CC#CCOC 34a_100000761923_200000210301 [1,1,0,0,0,0|0,0,2]=4 1061 B5R0.2 CC#CCOC 34a_100138415774_100000748600 [1,1,0,0,0,0|0,0,2]=4 1062 B5R0.2 CC#CCO[13CH3] 34a_100000761923_200025704644 [1,1,0,0,0,0|0,0,2]=4 1063 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [1,1,0,0,0,0|1,0,1]=4 1064 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [1,1,0,0,0,0|1,0,1]=4 1065 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [1,1,0,0,0,0|1,0,1]=4 1066 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [1,1,0,0,0,0|0,0,1]=3 1067 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [1,1,0,0,0,0|0,1,1]=4 1068 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [1,1,0,0,0,0|0,1,1]=4 1069 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [1,1,0,0,0,0|0,1,1]=4 1070 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [1,1,0,0,0,0|0,1,1]=4 1071 B5R0.2 CC=NNCC 4a_100000756455_200000210099 [1,1,0,0,0,0|2,0,0]=4 1072 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [1,1,0,0,0,0|1,0,1]=4 1073 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [1,1,0,0,0,0|1,0,1]=4 1074 B5R0.2 CCCCNC 34a_100102657272_100000210210 [1,1,0,0,0,0|1,0,1]=4 1075 B5R0.2 CCCCNC 7a_106832991635_100000210211 [1,1,0,0,0,0|1,0,1]=4 1076 B5R0.2 CCCCNC 7a_106832991798_200000210301 [1,1,0,0,0,0|1,0,1]=4 1077 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [1,1,0,0,0,0|1,0,1]=4 1078 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [1,1,0,0,0,0|1,0,1]=4 1079 B5R0.2 CCCCOC 34a_100000210227_200000210301 [1,1,0,0,0,0|0,0,1]=3 1080 B5R0.2 CCCCOC 34a_100138415774_100000210210 [1,1,0,0,0,0|0,0,1]=3 1081 B5R0.2 CCCCOC 7a_100000210227_200000210301 [1,1,0,0,0,0|0,0,1]=3 1082 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [1,1,0,0,0,0|0,0,1]=3 1083 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [1,1,0,0,0,0|0,0,1]=3 1084 B5R0.2 CCCCSC 62a_100000210211_200000210301 [1,1,0,0,0,0|0,1,1]=4 1085 B5R0.2 CCCCSC 62a_200000210301_100000210210 [1,1,0,0,0,0|0,1,1]=4 1086 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [1,1,0,0,0,0|0,1,1]=4 1087 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [1,1,0,0,0,0|0,1,1]=4 1088 B5R0.2 CCCNCC 2230a_100015525214_100000210303 [1,1,0,0,0,0|1,0,1]=4 1089 B5R0.2 CCCOCC 34a_100000210258_100000210202 [1,1,0,0,0,0|1,0,1]=4 1090 B5R0.2 CCCOCC 34a_100121572206_100000210303 [1,1,0,0,0,0|1,0,1]=4 1091 B5R0.2 CCCOCF 34a_100000210258_100015361967 [1,1,0,0,0,0|1,0,1]=4 1092 B5R0.2 CCCSCC 62a_100000210202_100000210303 [1,1,0,0,0,0|1,0,1]=4 1093 B5R0.2 CCCSCC 62a_100000210303_100000210202 [1,1,0,0,0,0|1,0,1]=4 1094 B5R0.2 CCCSCF 62a_100000210303_100015361967 [1,1,0,0,0,0|1,0,1]=4 1095 B5R0.2 CCCSCF 62a_100015361967_100000210303 [1,1,0,0,0,0|1,0,1]=4 1096 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [1,1,0,0,0,0|1,0,0]=3 1097 B5R0.2 CCNCCF 2230a_100015525214_100011217306 [1,1,0,0,0,0|1,0,1]=4 1098 B5R0.2 CCNCCF 34a_100000724931_100000210202 [1,1,0,0,0,0|1,0,1]=4 1099 B5R0.2 CCNCCO 2230a_100015525214_100000211926 [1,1,0,0,0,0|0,0,1]=3 1100 B5R0.2 CCNCCO 2230a_100016997473_100000210202 [1,1,0,0,0,0|0,0,1]=3 1101 B5R0.2 CCNCCO 34a_100016990907_100000210202 [1,1,0,0,0,0|0,0,1]=3 1102 B5R0.2 CCNCOC 2230a_100015525214_100000766300 [1,1,0,0,0,0|1,0,1]=4 1103 B5R0.2 CCNCSC 2230a_100015525214_100011218213 [1,1,0,0,0,0|2,0,0]=4 1104 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [1,1,0,0,0,0|1,0,0]=3 1105 B5R0.2 CCOCCBr 34a_100000211926_100000210202 [1,1,0,0,0,0|1,0,1]=4 1106 B5R0.2 CCOCCF 34a_100121572206_100011217306 [1,1,0,0,0,0|1,0,1]=4 1107 B5R0.2 CCOCCN 34a_100000210304_100000210202 [1,1,0,0,0,0|1,0,1]=4 1108 B5R0.2 CCOCCO 34a_100121572206_100000211926 [1,1,0,0,0,0|0,0,1]=3 1109 B5R0.2 CCOCSC 34a_100121572206_100011218213 [1,1,0,0,0,0|2,0,0]=4 1110 B5R0.2 CCOCSC 62a_100000739092_200000210301 [1,1,0,0,0,0|2,0,0]=4 1111 B5R0.2 CCOCSC 62a_200000210301_100000739092 [1,1,0,0,0,0|2,0,0]=4 1112 B5R0.2 CCOCS[13CH3] 62a_100000739092_200025704644 [1,1,0,0,0,0|2,0,0]=4 1113 B5R0.2 CCOCS[13CH3] 62a_200025704644_100000739092 [1,1,0,0,0,0|2,0,0]=4 1114 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [1,1,0,0,0,0|1,0,0]=3 1115 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [1,1,0,0,0,0|1,0,0]=3 1116 B5R0.2 CCSCCF 62a_100000210202_100011217306 [1,1,0,0,0,0|1,0,1]=4 1117 B5R0.2 CCSCCF 62a_100011217306_100000210202 [1,1,0,0,0,0|1,0,1]=4 1118 B5R0.2 CCSCCO 62a_100000210202_100000211926 [1,1,0,0,0,0|0,0,1]=3 1119 B5R0.2 CCSCCO 62a_100000211926_100000210202 [1,1,0,0,0,0|0,0,1]=3 1120 B5R0.2 CCSCOC 62a_100000210202_100000766300 [1,1,0,0,0,0|1,0,1]=4 1121 B5R0.2 CCSCOC 62a_100000766300_100000210202 [1,1,0,0,0,0|1,0,1]=4 1122 B5R0.2 CCSCSC 62a_100000210202_100011218213 [1,1,0,0,0,0|2,0,0]=4 1123 B5R0.2 CCSCSC 62a_100011218213_100000210202 [1,1,0,0,0,0|2,0,0]=4 1124 B5R0.2 CNCCC#N 2230a_106832991635_100011215226 [1,1,0,0,0,0|2,0,0]=4 1125 B5R0.2 CNCCC#N 7a_106832991635_100000184422 [1,1,0,0,0,0|2,0,0]=4 1126 B5R0.2 CNCCCF 2230a_100015189416_200000210301 [1,1,0,0,0,0|1,0,1]=4 1127 B5R0.2 CNCCCF 2230a_106832991635_100011934791 [1,1,0,0,0,0|1,0,1]=4 1128 B5R0.2 CNCCCF 34a_100015189416_200000210301 [1,1,0,0,0,0|1,0,1]=4 1129 B5R0.2 CNCCCF 34a_100102657272_100011934791 [1,1,0,0,0,0|1,0,1]=4 1130 B5R0.2 CNCCCF 7a_106832991635_100011934791 [1,1,0,0,0,0|1,0,1]=4 1131 B5R0.2 CNCCCO 2230a_106832991635_100000230001 [1,1,0,0,0,0|0,0,1]=3 1132 B5R0.2 CNCCCO 34a_100102657272_100000230001 [1,1,0,0,0,0|0,0,1]=3 1133 B5R0.2 CNCCCO 7a_106832991635_100011215043 [1,1,0,0,0,0|0,0,1]=3 1134 B5R0.2 CNCCOC 2230a_100000209980_200000210301 [1,1,0,0,0,0|1,0,0]=3 1135 B5R0.2 CNCCOC 2230a_106832991635_100011201679 [1,1,0,0,0,0|1,0,0]=3 1136 B5R0.2 CNCCOC 34a_100102657272_100011201679 [1,1,0,0,0,0|1,0,0]=3 1137 B5R0.2 CNCCOC 7a_106832991635_100000233755 [1,1,0,0,0,0|1,0,0]=3 1138 B5R0.2 CNCCSC 2230a_100020590264_200000210301 [1,1,0,0,0,0|1,1,0]=4 1139 B5R0.2 CNCCSC 2230a_106832991635_100000751147 [1,1,0,0,0,0|1,1,0]=4 1140 B5R0.2 CNCCSC 34a_100102657272_100000212216 [1,1,0,0,0,0|1,1,0]=4 1141 B5R0.2 CNCCSC 7a_106832991635_100000212216 [1,1,0,0,0,0|1,1,0]=4 1142 B5R0.2 COCCCBr 34a_100011217188_200000210301 [1,1,0,0,0,0|1,0,1]=4 1143 B5R0.2 COCCCCl 34a_100000230001_200000210301 [1,1,0,0,0,0|1,0,1]=4 1144 B5R0.2 COCCCF 34a_100000759539_200000210301 [1,1,0,0,0,0|1,0,1]=4 1145 B5R0.2 COCCCF 34a_100138415774_100011934791 [1,1,0,0,0,0|1,0,1]=4 1146 B5R0.2 COCCCN 34a_100000182051_200000210301 [1,1,0,0,0,0|1,0,1]=4 1147 B5R0.2 COCCCO 34a_100138415774_100000230001 [1,1,0,0,0,0|0,0,1]=3 1148 B5R0.2 COCCN[13CH3] 2230a_100000209980_200025704644 [1,1,0,0,0,0|1,0,0]=3 1149 B5R0.2 COCCOC 34a_100000210237_200000210301 [1,1,0,0,0,0|1,0,0]=3 1150 B5R0.2 COCCOC 34a_100138415774_100011201679 [1,1,0,0,0,0|1,0,0]=3 1151 B5R0.2 COCCON 34a_100000700252_200000210301 [1,1,0,0,0,0|1,0,0]=3 1152 B5R0.2 COCCO[13CH3] 34a_100000210237_200025704644 [1,1,0,0,0,0|1,0,0]=3 1153 B5R0.2 COCCSC 34a_100000230434_200000210301 [1,1,0,0,0,0|1,0,0]=3 1154 B5R0.2 COCCSC 34a_100138415774_100000212216 [1,1,0,0,0,0|1,0,0]=3 1155 B5R0.2 COCCSC 62a_100000233755_200000210301 [1,1,0,0,0,0|1,0,0]=3 1156 B5R0.2 COCCSC 62a_200000210301_100000233755 [1,1,0,0,0,0|1,0,0]=3 1157 B5R0.2 COCCSC 7a_100000230434_200000210301 [1,1,0,0,0,0|1,0,0]=3 1158 B5R0.2 COCCS[13CH3] 62a_100000233755_200025704644 [1,1,0,0,0,0|1,0,0]=3 1159 B5R0.2 COCCS[13CH3] 62a_200025704644_100000233755 [1,1,0,0,0,0|1,0,0]=3 1160 B5R0.2 COCSCF 62a_100000766300_100015361967 [1,1,0,0,0,0|2,0,0]=4 1161 B5R0.2 COCSCF 62a_100015361967_100000766300 [1,1,0,0,0,0|2,0,0]=4 1162 B5R0.2 CSCCC#N 62a_100011215226_200000210301 [1,1,0,0,0,0|2,0,0]=4 1163 B5R0.2 CSCCC#N 62a_200000210301_100011215226 [1,1,0,0,0,0|2,0,0]=4 1164 B5R0.2 CSCCCF 62a_100011934791_200000210301 [1,1,0,0,0,0|1,0,1]=4 1165 B5R0.2 CSCCCF 62a_200000210301_100011934791 [1,1,0,0,0,0|1,0,1]=4 1166 B5R0.2 CSCCCO 62a_100011215043_200000210301 [1,1,0,0,0,0|0,0,1]=3 1167 B5R0.2 CSCCCO 62a_200000210301_100011215043 [1,1,0,0,0,0|0,0,1]=3 1168 B5R0.2 CSCCN[13CH3] 2230a_100020590264_200025704644 [1,1,0,0,0,0|1,1,0]=4 1169 B5R0.2 CSCCO[13CH3] 34a_100000230434_200025704644 [1,1,0,0,0,0|1,0,0]=3 1170 B5R0.2 CSCCO[13CH3] 7a_100000230434_200025704644 [1,1,0,0,0,0|1,0,0]=3 1171 B5R0.2 CSCCSC 62a_100000212216_200000210301 [1,1,0,0,0,0|1,1,0]=4 1172 B5R0.2 CSCCSC 62a_200000210301_100000751147 [1,1,0,0,0,0|1,1,0]=4 1173 B5R0.2 CSCCS[13CH3] 62a_100000212216_200025704644 [1,1,0,0,0,0|1,1,0]=4 1174 B5R0.2 CSCCS[13CH3] 62a_200025704644_100000751147 [1,1,0,0,0,0|1,1,0]=4 1175 B5R0.2 CSCSCF 62a_100011218213_100015361967 [1,1,0,0,0,0|2,0,0]=4 1176 B5R0.2 CSCSCF 62a_100015361967_100011218213 [1,1,0,0,0,0|2,0,0]=4 1177 B5R0.2 FCCNCF 34a_100000724931_100015361967 [1,1,0,0,0,0|2,0,0]=4 1178 B5R0.2 FCCSCF 62a_100011217306_100015361967 [1,1,0,0,0,0|2,0,0]=4 1179 B5R0.2 FCCSCF 62a_100015361967_100011217306 [1,1,0,0,0,0|2,0,0]=4 1180 B5R0.2 FCOCCBr 34a_100000211926_100015361967 [1,1,0,0,0,0|2,0,0]=4 1181 B5R0.2 NCCOCF 34a_100000210304_100015361967 [1,1,0,0,0,0|2,0,0]=4 1182 B5R0.2 O=CCSCF 62a_100015361967_200015260668 [1,1,0,0,0,0|1,0,0]=3 1183 B5R0.2 O=CCSCF 62a_200015260668_100015361967 [1,1,0,0,0,0|1,0,0]=3 1184 B5R0.2 OCCNCF 34a_100016990907_100015361967 [1,1,0,0,0,0|1,0,0]=3 1185 B5R0.2 OCCSCF 62a_100000211926_100015361967 [1,1,0,0,0,0|1,0,0]=3 1186 B5R0.2 OCCSCF 62a_100015361967_100000211926 [1,1,0,0,0,0|1,0,0]=3 1187 B5R0.2 [13CH3]NCCCF 2230a_100015189416_200025704644 [1,1,0,0,0,0|1,0,1]=4 1188 B5R0.2 [13CH3]NCCCF 34a_100015189416_200025704644 [1,1,0,0,0,0|1,0,1]=4 1189 B5R0.2 [13CH3]OCCCBr 34a_100011217188_200025704644 [1,1,0,0,0,0|1,0,1]=4 1190 B5R0.2 [13CH3]OCCCCl 34a_100000230001_200025704644 [1,1,0,0,0,0|1,0,1]=4 1191 B5R0.2 [13CH3]OCCCF 34a_100000759539_200025704644 [1,1,0,0,0,0|1,0,1]=4 1192 B5R0.2 [13CH3]OCCCN 34a_100000182051_200025704644 [1,1,0,0,0,0|1,0,1]=4 1193 B5R0.2 [13CH3]OCCON 34a_100000700252_200025704644 [1,1,0,0,0,0|1,0,0]=3 1194 B5R0.2 [13CH3]SCCC#N 62a_100011215226_200025704644 [1,1,0,0,0,0|2,0,0]=4 1195 B5R0.2 [13CH3]SCCC#N 62a_200025704644_100011215226 [1,1,0,0,0,0|2,0,0]=4 1196 B5R0.2 [13CH3]SCCCF 62a_100011934791_200025704644 [1,1,0,0,0,0|1,0,1]=4 1197 B5R0.2 [13CH3]SCCCF 62a_200025704644_100011934791 [1,1,0,0,0,0|1,0,1]=4 1198 B5R0.2 [13CH3]SCCCO 62a_100011215043_200025704644 [1,1,0,0,0,0|0,0,1]=3 1199 B5R0.2 [13CH3]SCCCO 62a_200025704644_100011215043 [1,1,0,0,0,0|0,0,1]=3 1200 B7R0.2 C#CC(=O)CC(C)C 1458a_100000211873_100000210624 [0,2,0,0,0,0|1,0,1]=4 1201 B7R0.2 C#CC(=O)CC(C)O 1458a_100000211873_100011218427 [0,2,0,0,0,0|0,0,1]=3 1202 B7R0.2 C#CC(=O)CC(F)F 1458a_100000211873_100011934356 [0,2,0,0,0,0|1,0,1]=4 1203 B7R0.2 C#CC(C)NC(=O)C 11a_100000707721_100015343762 [0,2,0,0,0,0|1,0,1]=4 1204 B7R0.2 C#CC(C)NC(=O)C 1626a_100000707721_100015343762 [0,2,0,0,0,0|1,0,1]=4 1205 B7R0.2 C#CC(C)NC(=O)C 240690a_100000707721_100015343762 [0,2,0,0,0,0|1,0,1]=4 1206 B7R0.2 C#CC(C)NC(=O)C 527a_100000707721_100103153847 [0,2,0,0,0,0|1,0,1]=4 1207 B7R0.2 C=C(C#N)CC(=O)C 1458a_100000070787_100000694840 [0,2,0,0,0,0|1,0,1]=4 1208 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [0,2,0,0,0,0|1,0,1]=4 1209 B7R0.2 C=C(C)CC(=O)CO 1458a_100000210174_100000748629 [0,2,0,0,0,0|1,0,0]=3 1210 B7R0.2 C=C(C)CN(C)CC 2230a_100000211296_200000210301 [0,2,0,0,0,0|2,0,0]=4 1211 B7R0.2 C=C(C)CN(C)CC 2230a_100000225621_100000748629 [0,2,0,0,0,0|2,0,0]=4 1212 B7R0.2 C=C(C)CN(C)CC 2230a_100000225649_100000210202 [0,2,0,0,0,0|2,0,0]=4 1213 B7R0.2 C=C(C)CN(C)CC 269982a_100000211296_200000210301 [0,2,0,0,0,0|2,0,0]=4 1214 B7R0.2 C=C(C)CN(C)CC 269982a_100000225621_100000748629 [0,2,0,0,0,0|2,0,0]=4 1215 B7R0.2 C=C(C)CN(C)CC 269982a_100000225649_100000204670 [0,2,0,0,0,0|2,0,0]=4 1216 B7R0.2 C=C(C)CN(C)CF 269982a_100000225649_100015361967 [0,2,0,0,0,0|2,0,0]=4 1217 B7R0.2 C=C(C)CN([13CH3])CC 2230a_100000211296_200025704644 [0,2,0,0,0,0|2,0,0]=4 1218 B7R0.2 C=C(C)CN([13CH3])CC 269982a_100000211296_200025704644 [0,2,0,0,0,0|2,0,0]=4 1219 B7R0.2 C=C(F)CC(=O)CC 1458a_100000210414_100009893438 [0,2,0,0,0,0|1,0,1]=4 1220 B7R0.2 C=C(F)CC(=O)CO 1458a_100000210174_100009893438 [0,2,0,0,0,0|1,0,1]=4 1221 B7R0.2 C=CC(=O)CC(C)C 1458a_100000185746_100000210624 [0,2,0,0,0,0|1,0,1]=4 1222 B7R0.2 C=CC(=O)CC(C)O 1458a_100000185746_100011218427 [0,2,0,0,0,0|0,0,1]=3 1223 B7R0.2 C=CC(=O)CC(F)F 1458a_100000185746_100011934356 [0,2,0,0,0,0|1,0,1]=4 1224 B7R0.2 C=CC(C)CC(=O)C 1458a_100011934298_200000210301 [0,2,0,0,0,0|1,0,0]=3 1225 B7R0.2 C=CC(C)CC(=O)[13CH3] 1458a_100011934298_200025704644 [0,2,0,0,0,0|1,0,0]=3 1226 B7R0.2 C=CC(O)CN(C)C 2230a_100102631434_100000730141 [0,2,0,0,0,0|2,0,0]=4 1227 B7R0.2 CC(=CC(C)O[13CH3])C 34a_100000717055_200025704644 [0,2,0,0,0,0|1,0,1]=4 1228 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [0,2,0,0,0,0|0,0,0]=2 1229 B7R0.2 CC(=O)NC(C)C#N 11a_100000737613_100015343762 [0,2,0,0,0,0|1,0,1]=4 1230 B7R0.2 CC(=O)NC(C)C#N 1626a_100000737613_100015343762 [0,2,0,0,0,0|1,0,1]=4 1231 B7R0.2 CC(=O)NC(C)C#N 527a_100000737613_100103153847 [0,2,0,0,0,0|1,0,1]=4 1232 B7R0.2 CC(=O)N[C@H](C)CF 11a_100102880703_100015343762 [0,2,0,0,0,0|1,0,0]=3 1233 B7R0.2 CC(=O)N[C@H](C)CF 1626a_100102880703_100015343762 [0,2,0,0,0,0|1,0,0]=3 1234 B7R0.2 CC(=O)N[C@H](C)CF 240690a_100102880703_100015343762 [0,2,0,0,0,0|1,0,0]=3 1235 B7R0.2 CC(=O)N[C@H](C)CF 527a_100102880703_100103153847 [0,2,0,0,0,0|1,0,0]=3 1236 B7R0.2 CC(=O)N[C@H](C)CO 240690a_100000737577_100015343762 [0,2,0,0,0,0|0,0,0]=2 1237 B7R0.2 CC(=O)N[C@H](C)CO 527a_100000737577_100103153847 [0,2,0,0,0,0|0,0,0]=2 1238 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_100009818208_200025704644 [0,2,0,0,0,0|1,1,0]=4 1239 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_200025704644_100009818208 [0,2,0,0,0,0|1,1,0]=4 1240 B7R0.2 CC(C)CC(=O)CF 1458a_100000210554_100015361967 [0,2,0,0,0,0|1,0,0]=3 1241 B7R0.2 CC(C)CC(=O)CO 1458a_100000210174_100000210624 [0,2,0,0,0,0|1,0,0]=3 1242 B7R0.2 CC(C)CC(C)O[13CH3] 34a_100000211805_200025704644 [0,2,0,0,0,0|1,0,1]=4 1243 B7R0.2 CC(C)CC(C)O[13CH3] 7a_100000211805_200025704644 [0,2,0,0,0,0|1,0,1]=4 1244 B7R0.2 CC(C)NC(=O)CO 240690a_100138425928_100000210174 [0,2,0,0,0,0|2,0,0]=4 1245 B7R0.2 CC(C)NC(=O)CO 527a_100138425928_100000210174 [0,2,0,0,0,0|2,0,0]=4 1246 B7R0.2 CC(C)NC(C)CO 2230a_100138425928_100012180447 [0,2,0,0,0,0|1,0,1]=4 1247 B7R0.2 CC(C)NC(C)CO 34a_100138425928_100012180447 [0,2,0,0,0,0|1,0,1]=4 1248 B7R0.2 CC(C)N[C@H](C)CO 2230a_100000737577_100000210206 [0,2,0,0,0,0|1,0,1]=4 1249 B7R0.2 CC(C)OC(C)CO 34a_100000212225_100012180447 [0,2,0,0,0,0|1,0,1]=4 1250 B7R0.2 CC(C)SC(C)CO 62a_100012180447_100000210206 [0,2,0,0,0,0|1,0,1]=4 1251 B7R0.2 CC(C)S[C@H](C)CO 62a_100000210206_100016084084 [0,2,0,0,0,0|1,0,1]=4 1252 B7R0.2 CC(C)S[C@H](C)CO 62a_100016084084_100000210206 [0,2,0,0,0,0|1,0,1]=4 1253 B7R0.2 CC(O)CC(=O)CO 1458a_100000210174_100011218427 [0,2,0,0,0,0|0,0,0]=2 1254 B7R0.2 CC(O)CN(C)CF 269982a_100000227577_100015361967 [0,2,0,0,0,0|2,0,0]=4 1255 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [0,2,0,0,0,0|1,0,1]=4 1256 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [0,2,0,0,0,0|1,0,1]=4 1257 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [0,2,0,0,0,0|1,0,0]=3 1258 B7R0.2 CCC(=O)CC(=O)N 1458a_100000210414_100000187820 [0,2,0,0,0,0|0,0,2]=4 1259 B7R0.2 CCC(=O)CC(=O)N 1458a_100134613110_100000210202 [0,2,0,0,0,0|0,0,2]=4 1260 B7R0.2 CCC(=O)CC(=O)[O-] 1458a_100000210414_100020667443 [0,2,0,0,0,0|0,0,2]=4 1261 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [0,2,0,0,0,0|1,0,0]=3 1262 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [0,2,0,0,0,0|1,0,0]=3 1263 B7R0.2 CCC(=O)CC(C)O 1458a_100000210414_100011218427 [0,2,0,0,0,0|0,0,0]=2 1264 B7R0.2 CCC(=O)CC(F)F 1458a_100000210414_100011934356 [0,2,0,0,0,0|1,0,0]=3 1265 B7R0.2 CCC(=O)CN(C)C 1458a_100000750896_100000210202 [0,2,0,0,0,0|2,0,0]=4 1266 B7R0.2 CCC(=O)CN(C)C 269982a_100102631434_100000747405 [0,2,0,0,0,0|2,0,0]=4 1267 B7R0.2 CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210202 [0,2,0,0,0,0|0,0,0]=2 1268 B7R0.2 CCC(=O)C[N+](=O)[O-] 1458a_100000210414_100000761209 [0,2,0,0,0,0|1,0,1]=4 1269 B7R0.2 CCC(=O)C[S+](C)C 1458a_200159257847_100000210202 [0,2,0,0,0,0|2,0,0]=4 1270 B7R0.2 CCC(=O)NC(C)C 11a_100138425928_100000210414 [0,2,0,0,0,0|2,0,0]=4 1271 B7R0.2 CCC(=O)NC(C)C 1626a_100138425928_100000210414 [0,2,0,0,0,0|2,0,0]=4 1272 B7R0.2 CCC(=O)NC(C)C 240690a_100138425928_100000210414 [0,2,0,0,0,0|2,0,0]=4 1273 B7R0.2 CCC(=O)NC(C)C 527a_100138425928_100000210414 [0,2,0,0,0,0|2,0,0]=4 1274 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [0,2,0,0,0,0|1,0,0]=3 1275 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [0,2,0,0,0,0|1,0,0]=3 1276 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [0,2,0,0,0,0|1,0,0]=3 1277 B7R0.2 CCC(C)NC(=O)C 11a_100000209981_100015343762 [0,2,0,0,0,0|1,0,0]=3 1278 B7R0.2 CCC(C)NC(=O)C 1626a_100000209981_100015343762 [0,2,0,0,0,0|1,0,0]=3 1279 B7R0.2 CCC(C)NC(=O)C 240690a_100000209981_100015343762 [0,2,0,0,0,0|1,0,0]=3 1280 B7R0.2 CCC(C)NC(=O)C 527a_100000209981_100103153847 [0,2,0,0,0,0|1,0,0]=3 1281 B7R0.2 CCC(O)CC(=O)C 1458a_100000070787_100011218378 [0,2,0,0,0,0|0,0,0]=2 1282 B7R0.2 CCC(O)CC(=O)C 1458a_100011667805_200000210301 [0,2,0,0,0,0|0,0,0]=2 1283 B7R0.2 CCC(O)CC(=O)[13CH3] 1458a_100011667805_200025704644 [0,2,0,0,0,0|0,0,0]=2 1284 B7R0.2 CCC(O)CN(C)C 2230a_100102631434_100011218378 [0,2,0,0,0,0|2,0,0]=4 1285 B7R0.2 CCC(O)CN(C)C 269982a_100102631434_100011218378 [0,2,0,0,0,0|2,0,0]=4 1286 B7R0.2 CCN(C)CC(=O)C 1458a_100116209913_200000210301 [0,2,0,0,0,0|1,0,0]=3 1287 B7R0.2 CCN(C)CC(=O)N 2230a_100000225621_100000747473 [0,2,0,0,0,0|2,0,0]=4 1288 B7R0.2 CCN(C)CC(=O)N 2230a_100000739694_100000210202 [0,2,0,0,0,0|2,0,0]=4 1289 B7R0.2 CCN(C)CC(=O)N 269982a_100000225621_100000187820 [0,2,0,0,0,0|2,0,0]=4 1290 B7R0.2 CCN(C)CC(=O)O 269956a_100000746405_200000210301 [0,2,0,0,0,0|2,0,0]=4 1291 B7R0.2 CCN(C)CC(=O)O 269956a_100000746989_100000210202 [0,2,0,0,0,0|2,0,0]=4 1292 B7R0.2 CCN(C)CC(=O)[13CH3] 1458a_100116209913_200025704644 [0,2,0,0,0,0|1,0,0]=3 1293 B7R0.2 CCN(C)CC(=O)[O-] 269982a_100000225621_100020667443 [0,2,0,0,0,0|2,0,0]=4 1294 B7R0.2 CCN(C)CC(C)O 2230a_100000225621_100011218427 [0,2,0,0,0,0|2,0,0]=4 1295 B7R0.2 CCN(C)CC(C)O 2230a_100000227577_100000210202 [0,2,0,0,0,0|2,0,0]=4 1296 B7R0.2 CCN(C)CC(C)O 269982a_100000225621_100011218427 [0,2,0,0,0,0|2,0,0]=4 1297 B7R0.2 CCN(C)CC(C)O 269982a_100000227577_100000204670 [0,2,0,0,0,0|2,0,0]=4 1298 B7R0.2 CCN(C)C[C@@H](C)O 2230a_100000225621_100009817552 [0,2,0,0,0,0|2,0,0]=4 1299 B7R0.2 CCN(C)C[C@@H](C)O 269982a_100000225621_100009817552 [0,2,0,0,0,0|2,0,0]=4 1300 B7R0.2 CCN(C)C[C@H](C)O 2230a_100000729506_200000210301 [0,2,0,0,0,0|2,0,0]=4 1301 B7R0.2 CCN(C)C[C@H](C)O 269982a_100000729506_200000210301 [0,2,0,0,0,0|2,0,0]=4 1302 B7R0.2 CCN([13CH3])CC(=O)O 269956a_100000746405_200025704644 [0,2,0,0,0,0|2,0,0]=4 1303 B7R0.2 CCN([13CH3])C[C@H](C)O 2230a_100000729506_200025704644 [0,2,0,0,0,0|2,0,0]=4 1304 B7R0.2 CCN([13CH3])C[C@H](C)O 269982a_100000729506_200025704644 [0,2,0,0,0,0|2,0,0]=4 1305 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [0,2,0,0,0,0|1,0,0]=3 1306 B7R0.2 CN(C)CC(=O)CF 1458a_100000750896_100015361967 [0,2,0,0,0,0|2,0,0]=4 1307 B7R0.2 CN(C)CC(O)CO 2230a_100011216503_200000210301 [0,2,0,0,0,0|2,0,0]=4 1308 B7R0.2 CN(C)CC(O)CO 2230a_100102631434_100011219619 [0,2,0,0,0,0|2,0,0]=4 1309 B7R0.2 CN(C)CC(O)CO 269982a_100011216503_200000210301 [0,2,0,0,0,0|2,0,0]=4 1310 B7R0.2 CN(C)C[C@@H](O)CF 2230a_100102631434_100015614560 [0,2,0,0,0,0|2,0,0]=4 1311 B7R0.2 CN(C)C[C@@H](O)CO 2230a_100102631434_100009815848 [0,2,0,0,0,0|2,0,0]=4 1312 B7R0.2 CN(CF)CC(=O)O 269956a_100000746989_100015361967 [0,2,0,0,0,0|2,0,0]=4 1313 B7R0.2 CN(CO)CC(=O)[O-] 269956a_100016989150_200000210301 [0,2,0,0,0,0|1,0,0]=3 1314 B7R0.2 CN([13CH3])CC(O)CO 2230a_100011216503_200025704644 [0,2,0,0,0,0|2,0,0]=4 1315 B7R0.2 CN([13CH3])CC(O)CO 269982a_100011216503_200025704644 [0,2,0,0,0,0|2,0,0]=4 1316 B7R0.2 CNC(=O)CC(=O)C 1458a_100000070787_100000183359 [0,2,0,0,0,0|0,0,2]=4 1317 B7R0.2 CNC(=O)CC(=O)N 240690a_100102657272_100134613110 [0,2,0,0,0,0|0,0,2]=4 1318 B7R0.2 CNC(=O)CC(=O)N 527a_100102657272_100134613110 [0,2,0,0,0,0|0,0,2]=4 1319 B7R0.2 CNC(=O)CC(C)C 11a_106832991635_100000210554 [0,2,0,0,0,0|1,0,0]=3 1320 B7R0.2 CNC(=O)CC(C)C 1626a_100102657272_100000210554 [0,2,0,0,0,0|1,0,0]=3 1321 B7R0.2 CNC(=O)CC(C)C 240690a_100102657272_100000210554 [0,2,0,0,0,0|1,0,0]=3 1322 B7R0.2 CNC(=O)CC(C)C 527a_100102657272_100000210554 [0,2,0,0,0,0|1,0,0]=3 1323 B7R0.2 CNC(=O)CN(C)C 11a_106832991635_100000750896 [0,2,0,0,0,0|2,0,0]=4 1324 B7R0.2 CNC(=O)CN(C)C 2230a_100000189611_200000210301 [0,2,0,0,0,0|2,0,0]=4 1325 B7R0.2 CNC(=O)CN(C)C 2230a_100102631434_100000183359 [0,2,0,0,0,0|2,0,0]=4 1326 B7R0.2 CNC(=O)CN(C)C 240690a_100102657272_100000750896 [0,2,0,0,0,0|2,0,0]=4 1327 B7R0.2 CNC(=O)CN(C)C 269982a_100102631434_100000183359 [0,2,0,0,0,0|2,0,0]=4 1328 B7R0.2 CNC(=O)CN(C)C 527a_100102657272_100000750896 [0,2,0,0,0,0|2,0,0]=4 1329 B7R0.2 CNC(=O)CN(C)[13CH3] 2230a_100000189611_200025704644 [0,2,0,0,0,0|2,0,0]=4 1330 B7R0.2 CNC(=O)C[C@@H](C)O 240690a_100102657272_100011933948 [0,2,0,0,0,0|0,0,0]=2 1331 B7R0.2 CNC(=O)C[S+](C)C 11a_106832991635_200159257847 [0,2,0,0,0,0|2,0,0]=4 1332 B7R0.2 CNC(=O)C[S+](C)C 1626a_100102657272_200159257847 [0,2,0,0,0,0|2,0,0]=4 1333 B7R0.2 CNC(=O)C[S+](C)C 240690a_100102657272_200159257847 [0,2,0,0,0,0|2,0,0]=4 1334 B7R0.2 CNC(=O)C[S+](C)C 527a_100102657272_200159257847 [0,2,0,0,0,0|2,0,0]=4 1335 B7R0.2 CNC(=O)NC(C)C 2708a_100102657272_100138425928 [0,2,0,0,0,0|2,0,0]=4 1336 B7R0.2 CNC(=O)NC(C)C 2708a_100138425928_106832991635 [0,2,0,0,0,0|2,0,0]=4 1337 B7R0.2 CNC(=O)NC(C)C 273464a_100138425928_100102657272 [0,2,0,0,0,0|2,0,0]=4 1338 B7R0.2 CNC(=O)NC(C)C 512a_100138425928_100102657272 [0,2,0,0,0,0|2,0,0]=4 1339 B7R0.2 CNC(=O)NC(C)C 512a_106832991638_100138425928 [0,2,0,0,0,0|2,0,0]=4 1340 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [0,2,0,0,0,0|0,0,1]=3 1341 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [0,2,0,0,0,0|0,0,1]=3 1342 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [0,2,0,0,0,0|0,0,1]=3 1343 B7R0.2 COC(=O)CN(C)C 2230a_100000198492_200000210301 [0,2,0,0,0,0|2,0,0]=4 1344 B7R0.2 COC(=O)CN(C)C 2230a_100102631434_100000747449 [0,2,0,0,0,0|2,0,0]=4 1345 B7R0.2 COC(=O)CN(C)C 269982a_100102631434_100000747449 [0,2,0,0,0,0|2,0,0]=4 1346 B7R0.2 COC(=O)CN(C)[13CH3] 2230a_100000198492_200025704644 [0,2,0,0,0,0|2,0,0]=4 1347 B7R0.2 COC(C)C=C(C)C 34a_100000717055_200000210301 [0,2,0,0,0,0|1,0,1]=4 1348 B7R0.2 COC(C)CC(C)C 34a_100000211805_200000210301 [0,2,0,0,0,0|1,0,1]=4 1349 B7R0.2 COC(C)CC(C)C 34a_100138415774_100000731052 [0,2,0,0,0,0|1,0,1]=4 1350 B7R0.2 COC(C)CC(C)C 7a_100000211805_200000210301 [0,2,0,0,0,0|1,0,1]=4 1351 B7R0.2 CSC(C)OC(=O)C 62a_100009818208_200000210301 [0,2,0,0,0,0|1,1,0]=4 1352 B7R0.2 CSC(C)OC(=O)C 62a_200000210301_100009818208 [0,2,0,0,0,0|1,1,0]=4 1353 B7R0.2 C[C@@H](CO)CN(C)C 2230a_100102631434_100000059175 [0,2,0,0,0,0|2,0,0]=4 1354 B7R0.2 C[C@@H](CO)CN(C)C 269982a_100102631434_100000059175 [0,2,0,0,0,0|2,0,0]=4 1355 B7R0.2 C[C@@H](O)CC(=O)CF 1458a_100011933948_100015361967 [0,2,0,0,0,0|0,0,0]=2 1356 B7R0.2 C[S+](C)CC(=O)CF 1458a_200159257847_100015361967 [0,2,0,0,0,0|2,0,0]=4 1357 B7R0.2 NC(=O)CC(=O)CF 1458a_100134613110_100015361967 [0,2,0,0,0,0|0,0,2]=4 1358 B7R0.2 NC(=O)CC(=O)CO 1458a_100000210174_100000187820 [0,2,0,0,0,0|1,0,0]=3 1359 B7R0.2 O=C(CO)CC(F)F 1458a_100000210174_100011934356 [0,2,0,0,0,0|1,0,0]=3 1360 B7R0.2 O=C(CO)C[N+](=O)[O-] 1458a_100000210174_100000761209 [0,2,0,0,0,0|1,0,1]=4 1361 B7R0.2 O=C([O-])CC(=O)CO 1458a_100000210174_100020667443 [0,2,0,0,0,0|1,0,0]=3 1362 B7R0.2 [13CH3]N(CO)CC(=O)[O-] 269956a_100016989150_200025704644 [0,2,0,0,0,0|1,0,0]=3 1363 B7R0.3 C#C/C(=C\COC)/C 34a_100016990848_200000210301 [0,2,0,0,0,0|1,0,1]=4 1364 B7R0.3 C#C/C(=C\CO[13CH3])/C 34a_100016990848_200025704644 [0,2,0,0,0,0|1,0,1]=4 1365 B7R0.3 C#CC(=O)CCC#N 1458a_100000211873_100011215226 [0,2,0,0,0,0|1,0,1]=4 1366 B7R0.3 C#CC(=O)CCC=C 1458a_100000211873_100000754431 [0,2,0,0,0,0|1,0,1]=4 1367 B7R0.3 C#CC(=O)CCCC 1458a_100000211873_100000210211 [0,2,0,0,0,0|1,0,1]=4 1368 B7R0.3 C#CC(=O)CCCF 1458a_100000211873_100011934791 [0,2,0,0,0,0|1,0,1]=4 1369 B7R0.3 C#CC(=O)CCCO 1458a_100000211873_100011215043 [0,2,0,0,0,0|0,0,1]=3 1370 B7R0.3 C#CC(=O)CCOC 1458a_100000211873_100000233755 [0,2,0,0,0,0|0,0,1]=3 1371 B7R0.3 C#CC(=O)CCSC 1458a_100000211873_100000751147 [0,2,0,0,0,0|0,1,1]=4 1372 B7R0.3 C#CC(C)NCCO 2230a_100000707721_100000211926 [0,2,0,0,0,0|1,0,1]=4 1373 B7R0.3 C#CC(C)NCCO 34a_100000707721_100000211926 [0,2,0,0,0,0|1,0,1]=4 1374 B7R0.3 C#CC(C)NCCO 34a_100016990907_200000035995 [0,2,0,0,0,0|1,0,1]=4 1375 B7R0.3 C#CC(C)SCCO 62a_200000035995_100000211926 [0,2,0,0,0,0|1,0,1]=4 1376 B7R0.3 C#CCCC(=O)C#C 1458a_100000211873_100000753159 [0,2,0,0,0,0|1,0,1]=4 1377 B7R0.3 C#CCCC(=O)C=C 1458a_100000185746_100000753159 [0,2,0,0,0,0|1,0,1]=4 1378 B7R0.3 C#CCCC(=O)CC 1458a_100000210414_100000753159 [0,2,0,0,0,0|1,0,0]=3 1379 B7R0.3 C#CCCC(=O)CC 1458a_100000692101_100000210202 [0,2,0,0,0,0|1,0,0]=3 1380 B7R0.3 C#CCCC(=O)CF 1458a_100000692101_100015361967 [0,2,0,0,0,0|1,0,0]=3 1381 B7R0.3 C#CCCC(=O)CO 1458a_100000210174_100000753159 [0,2,0,0,0,0|1,0,0]=3 1382 B7R0.3 C#CCCC(=O)NC 11a_106832991635_100000692101 [0,2,0,0,0,0|1,0,0]=3 1383 B7R0.3 C#CCCC(=O)NC 1626a_100102657272_100000692101 [0,2,0,0,0,0|1,0,0]=3 1384 B7R0.3 C#CCCC(=O)NC 240690a_100102657272_100000692101 [0,2,0,0,0,0|1,0,0]=3 1385 B7R0.3 C#CCCC(=O)NC 527a_100102657272_100000692101 [0,2,0,0,0,0|1,0,0]=3 1386 B7R0.3 C#CCNC(=O)CC 11a_100000212058_100000210414 [0,2,0,0,0,0|1,0,1]=4 1387 B7R0.3 C#CCNC(=O)CC 1626a_100000212058_100000210414 [0,2,0,0,0,0|1,0,1]=4 1388 B7R0.3 C#CCNC(=O)CC 240690a_100000212058_100000210414 [0,2,0,0,0,0|1,0,1]=4 1389 B7R0.3 C#CCNC(=O)CC 527a_100000212058_100000210414 [0,2,0,0,0,0|1,0,1]=4 1390 B7R0.3 C#CCNC(=O)CO 240690a_100000212058_100000210174 [0,2,0,0,0,0|1,0,1]=4 1391 B7R0.3 C#CCNC(=O)CO 527a_100000212058_100000210174 [0,2,0,0,0,0|1,0,1]=4 1392 B7R0.3 C#CCNC(=O)NC 2708a_100000212058_106832991635 [0,2,0,0,0,0|1,0,1]=4 1393 B7R0.3 C#CCNC(=O)NC 2708a_100102657272_100000212058 [0,2,0,0,0,0|1,0,1]=4 1394 B7R0.3 C#CCNC(=O)NC 273464a_100000212058_100102657272 [0,2,0,0,0,0|1,0,1]=4 1395 B7R0.3 C#CCNC(=O)NC 273464a_100102657272_100000212058 [0,2,0,0,0,0|1,0,1]=4 1396 B7R0.3 C#CCNC(=O)NC 512a_100000212058_100102657272 [0,2,0,0,0,0|1,0,1]=4 1397 B7R0.3 C#CCNC(=O)NC 512a_106832991638_100000212058 [0,2,0,0,0,0|1,0,1]=4 1398 B7R0.3 C#C[C@@H](C)OCCO 34a_100009815206_100000211926 [0,2,0,0,0,0|1,0,1]=4 1399 B7R0.3 C#C[C@@H](C)OCCO 7a_100009815206_100000211926 [0,2,0,0,0,0|1,0,1]=4 1400 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [0,2,0,0,0,0|1,0,1]=4 1401 B7R0.3 C/C=C/CC(=O)CO 1458a_100000210174_100102629194 [0,2,0,0,0,0|1,0,1]=4 1402 B7R0.3 C=CC(=O)CCC#N 1458a_100000185746_100011215226 [0,2,0,0,0,0|1,0,1]=4 1403 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [0,2,0,0,0,0|1,0,1]=4 1404 B7R0.3 C=CC(=O)CCCF 1458a_100000185746_100011934791 [0,2,0,0,0,0|1,0,1]=4 1405 B7R0.3 C=CC(=O)CCCO 1458a_100000185746_100011215043 [0,2,0,0,0,0|0,0,1]=3 1406 B7R0.3 C=CC(=O)CCOC 1458a_100000185746_100000233755 [0,2,0,0,0,0|0,0,1]=3 1407 B7R0.3 C=CC(=O)CCSC 1458a_100000185746_100000751147 [0,2,0,0,0,0|0,1,1]=4 1408 B7R0.3 C=CC(=O)NCCC 1626a_100020643023_100000185746 [0,2,0,0,0,0|1,0,1]=4 1409 B7R0.3 C=CC(=O)NCCC 240690a_100020643023_200121576911 [0,2,0,0,0,0|1,0,1]=4 1410 B7R0.3 C=CC(=O)NCCF 1626a_100000724931_100000185746 [0,2,0,0,0,0|1,0,1]=4 1411 B7R0.3 C=CC(=O)NCCF 240690a_100000724931_200121576911 [0,2,0,0,0,0|1,0,1]=4 1412 B7R0.3 C=CC(=O)NCCO 240690a_100000210304_200121576911 [0,2,0,0,0,0|0,0,1]=3 1413 B7R0.3 C=CC(C)OCCO 34a_100000695699_100000211926 [0,2,0,0,0,0|1,0,1]=4 1414 B7R0.3 C=CC(C)SCCO 62a_100011215867_100000211926 [0,2,0,0,0,0|1,0,1]=4 1415 B7R0.3 C=CCCC(=O)C=C 1458a_100000185746_100000754431 [0,2,0,0,0,0|1,0,1]=4 1416 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [0,2,0,0,0,0|1,0,0]=3 1417 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [0,2,0,0,0,0|1,0,0]=3 1418 B7R0.3 C=CCCC(=O)CF 1458a_100000749702_100015361967 [0,2,0,0,0,0|1,0,0]=3 1419 B7R0.3 C=CCCC(=O)CO 1458a_100000210174_100000754431 [0,2,0,0,0,0|1,0,0]=3 1420 B7R0.3 C=CCCC(=O)NC 11a_106832991635_100000749702 [0,2,0,0,0,0|1,0,0]=3 1421 B7R0.3 C=CCCC(=O)NC 1626a_100102657272_100000749702 [0,2,0,0,0,0|1,0,0]=3 1422 B7R0.3 C=CCCC(=O)NC 240690a_100102657272_100000749702 [0,2,0,0,0,0|1,0,0]=3 1423 B7R0.3 C=CCCC(=O)NC 527a_100102657272_100000749702 [0,2,0,0,0,0|1,0,0]=3 1424 B7R0.3 C=CCNC(=O)CC 1626a_100020586998_100000210414 [0,2,0,0,0,0|1,0,1]=4 1425 B7R0.3 C=CCNC(=O)CC 240690a_100020586998_100000210414 [0,2,0,0,0,0|1,0,1]=4 1426 B7R0.3 C=CCNC(=O)CC 527a_100020586998_100000210414 [0,2,0,0,0,0|1,0,1]=4 1427 B7R0.3 C=CCNC(=O)CO 240690a_100020586998_100000210174 [0,2,0,0,0,0|1,0,1]=4 1428 B7R0.3 C=CCNC(=O)CO 527a_100020586998_100000210174 [0,2,0,0,0,0|1,0,1]=4 1429 B7R0.3 C=CCNC(=O)NC 2708a_100102657272_100020586998 [0,2,0,0,0,0|1,0,1]=4 1430 B7R0.3 C=CCNC(=O)NC 273464a_100020586998_100102657272 [0,2,0,0,0,0|1,0,1]=4 1431 B7R0.3 C=CCNC(=O)NC 273464a_100102657272_100020586998 [0,2,0,0,0,0|1,0,1]=4 1432 B7R0.3 C=CCNC(=O)NC 512a_100020586998_100102657272 [0,2,0,0,0,0|1,0,1]=4 1433 B7R0.3 C=CCNC(=O)NC 512a_106832991638_100020586998 [0,2,0,0,0,0|1,0,1]=4 1434 B7R0.3 CC#CCC(=O)CC 1458a_100000210414_100000748600 [0,2,0,0,0,0|1,0,1]=4 1435 B7R0.3 CC#CCC(=O)CO 1458a_100000210174_100000748600 [0,2,0,0,0,0|1,0,1]=4 1436 B7R0.3 CC(C#N)NCCO 2230a_100000737613_100000211926 [0,2,0,0,0,0|1,0,1]=4 1437 B7R0.3 CC(C#N)NCCO 2230a_100016997473_100000184139 [0,2,0,0,0,0|1,0,1]=4 1438 B7R0.3 CC(C#N)OCCO 34a_100011218135_100000211926 [0,2,0,0,0,0|1,0,1]=4 1439 B7R0.3 CC(C#N)SCCO 62a_100000211926_100000703298 [0,2,0,0,0,0|1,0,1]=4 1440 B7R0.3 CC(C#N)SCCO 62a_100000703298_100000211926 [0,2,0,0,0,0|1,0,1]=4 1441 B7R0.3 CC(CF)OCCO 34a_100016041109_100000211926 [0,2,0,0,0,0|1,0,1]=4 1442 B7R0.3 CC(CF)OCCO 7a_100016041109_100000211926 [0,2,0,0,0,0|1,0,1]=4 1443 B7R0.3 CC(CN)OCCO 34a_100000210904_100000211926 [0,2,0,0,0,0|1,0,1]=4 1444 B7R0.3 CC(CO)NCCO 2230a_100016997473_100012180447 [0,2,0,0,0,0|0,0,2]=4 1445 B7R0.3 CC(CO)NCCO 34a_100016990907_100012180447 [0,2,0,0,0,0|0,0,2]=4 1446 B7R0.3 CC(CO)SCCO 62a_100012180447_100000211926 [0,2,0,0,0,0|0,0,2]=4 1447 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [0,2,0,0,0,0|1,0,1]=4 1448 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [0,2,0,0,0,0|1,0,1]=4 1449 B7R0.3 CC=CCC(=O)CF 1458a_100121576822_100015361967 [0,2,0,0,0,0|1,0,1]=4 1450 B7R0.3 CC=CCC(=O)CO 1458a_100000210174_100000070051 [0,2,0,0,0,0|1,0,1]=4 1451 B7R0.3 CC=CCC(=O)NC 11a_106832991635_100121576822 [0,2,0,0,0,0|1,0,1]=4 1452 B7R0.3 CC=CCC(=O)NC 1626a_100102657272_100121576822 [0,2,0,0,0,0|1,0,1]=4 1453 B7R0.3 CC=CCC(=O)NC 240690a_100102657272_100121576822 [0,2,0,0,0,0|1,0,1]=4 1454 B7R0.3 CC=CCC(=O)NC 527a_100102657272_100121576822 [0,2,0,0,0,0|1,0,1]=4 1455 B7R0.3 CCC#CC(=O)CC 1458a_100011827653_100000210202 [0,2,0,0,0,0|1,0,1]=4 1456 B7R0.3 CCC#CC(=O)CF 1458a_100011827653_100015361967 [0,2,0,0,0,0|1,0,1]=4 1457 B7R0.3 CCC(=O)C#CCO 1458a_100000049017_100000210202 [0,2,0,0,0,0|0,0,1]=3 1458 B7R0.3 CCC(=O)C=COC 1458a_100016268678_100000210202 [0,2,0,0,0,0|0,0,2]=4 1459 B7R0.3 CCC(=O)CCC#N 1458a_100000210414_100011215226 [0,2,0,0,0,0|1,0,0]=3 1460 B7R0.3 CCC(=O)CCC#N 1458a_100011934036_100000210202 [0,2,0,0,0,0|1,0,0]=3 1461 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [0,2,0,0,0,0|1,0,0]=3 1462 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [0,2,0,0,0,0|0,0,0]=2 1463 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [0,2,0,0,0,0|0,0,0]=2 1464 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [0,2,0,0,0,0|0,0,0]=2 1465 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [0,2,0,0,0,0|0,1,0]=3 1466 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [0,2,0,0,0,0|0,1,0]=3 1467 B7R0.3 CCC(=O)COCF 34a_100000725409_100015361967 [0,2,0,0,0,0|1,0,0]=3 1468 B7R0.3 CCC(=O)CSCF 62a_100000747405_100015361967 [0,2,0,0,0,0|1,0,0]=3 1469 B7R0.3 CCC(=O)CSCF 62a_100015361967_100000747405 [0,2,0,0,0,0|1,0,0]=3 1470 B7R0.3 CCC(=O)NCC#N 1626a_100000734998_100000210414 [0,2,0,0,0,0|1,0,1]=4 1471 B7R0.3 CCC(=O)NCC#N 527a_100000734998_100000210414 [0,2,0,0,0,0|1,0,1]=4 1472 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [0,2,0,0,0,0|1,0,0]=3 1473 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [0,2,0,0,0,0|1,0,0]=3 1474 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [0,2,0,0,0,0|1,0,0]=3 1475 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [0,2,0,0,0,0|1,0,0]=3 1476 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [0,2,0,0,0,0|0,0,0]=2 1477 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [0,2,0,0,0,0|0,0,0]=2 1478 B7R0.3 CCC(C)CCOC 7a_100011215188_200000210301 [0,2,0,0,0,0|1,0,1]=4 1479 B7R0.3 CCC(C)CCO[13CH3] 7a_100011215188_200025704644 [0,2,0,0,0,0|1,0,1]=4 1480 B7R0.3 CCC(C)NCCO 2230a_100000209981_100000211926 [0,2,0,0,0,0|1,0,1]=4 1481 B7R0.3 CCC(C)NCCO 2230a_100016997473_100000758301 [0,2,0,0,0,0|1,0,1]=4 1482 B7R0.3 CCC(C)NCCO 34a_100016990907_100011215416 [0,2,0,0,0,0|1,0,1]=4 1483 B7R0.3 CCC(C)OCCO 7a_100000210228_100000211926 [0,2,0,0,0,0|1,0,1]=4 1484 B7R0.3 CCC(C)SCCO 62a_100000211926_100000758301 [0,2,0,0,0,0|1,0,1]=4 1485 B7R0.3 CCC(C)SCCO 62a_100000758301_100000211926 [0,2,0,0,0,0|1,0,1]=4 1486 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [0,2,0,0,0,0|1,0,1]=4 1487 B7R0.3 CCC=CC(=O)CF 1458a_100000212282_100015361967 [0,2,0,0,0,0|1,0,1]=4 1488 B7R0.3 CCC=CC(=O)NC 11a_106832991635_100000212282 [0,2,0,0,0,0|1,0,1]=4 1489 B7R0.3 CCC=CC(=O)NC 1626a_100102657272_100000212282 [0,2,0,0,0,0|1,0,1]=4 1490 B7R0.3 CCC=CC(=O)NC 240690a_100102657272_100000212282 [0,2,0,0,0,0|1,0,1]=4 1491 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [0,2,0,0,0,0|1,0,0]=3 1492 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [0,2,0,0,0,0|1,0,0]=3 1493 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [0,2,0,0,0,0|1,0,0]=3 1494 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [0,2,0,0,0,0|1,0,0]=3 1495 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [0,2,0,0,0,0|1,0,0]=3 1496 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [0,2,0,0,0,0|1,0,0]=3 1497 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [0,2,0,0,0,0|1,0,0]=3 1498 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [0,2,0,0,0,0|1,0,0]=3 1499 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [0,2,0,0,0,0|1,0,0]=3 1500 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [0,2,0,0,0,0|1,0,0]=3 1501 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [0,2,0,0,0,0|1,0,0]=3 1502 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [0,2,0,0,0,0|1,0,0]=3 1503 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [0,2,0,0,0,0|1,0,0]=3 1504 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [0,2,0,0,0,0|1,0,0]=3 1505 B7R0.3 CCCNC(=O)NC 2708a_100020643023_106832991635 [0,2,0,0,0,0|1,0,0]=3 1506 B7R0.3 CCCNC(=O)NC 2708a_100102657272_100020643023 [0,2,0,0,0,0|1,0,0]=3 1507 B7R0.3 CCCNC(=O)NC 273464a_100020643023_100102657272 [0,2,0,0,0,0|1,0,0]=3 1508 B7R0.3 CCCNC(=O)NC 273464a_100102657272_100020643023 [0,2,0,0,0,0|1,0,0]=3 1509 B7R0.3 CCCNC(=O)NC 512a_100020643023_100102657272 [0,2,0,0,0,0|1,0,0]=3 1510 B7R0.3 CCCNC(=O)NC 512a_106832991638_100020643023 [0,2,0,0,0,0|1,0,0]=3 1511 B7R0.3 CCN(C)CCCO 2230a_100000213112_100000210202 [0,2,0,0,0,0|2,0,0]=4 1512 B7R0.3 CCN(C)CCCO 2230a_100000225621_100000230001 [0,2,0,0,0,0|2,0,0]=4 1513 B7R0.3 CCN(C)CCCO 269982a_100000213112_100000204670 [0,2,0,0,0,0|2,0,0]=4 1514 B7R0.3 CCN(C)CCCO 269982a_100000225621_100011215043 [0,2,0,0,0,0|2,0,0]=4 1515 B7R0.3 CCN(C)CCOC 2230a_100000225621_100011201679 [0,2,0,0,0,0|2,0,0]=4 1516 B7R0.3 CCN(C)CCOC 2230a_100000731262_200000210301 [0,2,0,0,0,0|2,0,0]=4 1517 B7R0.3 CCN(C)CCOC 2230a_100000743101_100000210202 [0,2,0,0,0,0|2,0,0]=4 1518 B7R0.3 CCN(C)CCOC 269982a_100000225621_100000233755 [0,2,0,0,0,0|2,0,0]=4 1519 B7R0.3 CCN(C)CCOC 269982a_100000731262_200000210301 [0,2,0,0,0,0|2,0,0]=4 1520 B7R0.3 CCN(C)CCOC 269982a_100000743101_100000204670 [0,2,0,0,0,0|2,0,0]=4 1521 B7R0.3 CCN([13CH3])CCOC 2230a_100000731262_200025704644 [0,2,0,0,0,0|2,0,0]=4 1522 B7R0.3 CCN([13CH3])CCOC 269982a_100000731262_200025704644 [0,2,0,0,0,0|2,0,0]=4 1523 B7R0.3 CCNCC(=O)NC 2230a_100000693194_100000210202 [0,2,0,0,0,0|1,0,0]=3 1524 B7R0.3 CCNCC(=O)NC 2230a_100015525214_100000183359 [0,2,0,0,0,0|1,0,0]=3 1525 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [0,2,0,0,0,0|1,0,0]=3 1526 B7R0.3 CCNNC(=O)CC 22a_100000756455_100000210414 [0,2,0,0,0,0|2,0,0]=4 1527 B7R0.3 CCNNC(=O)CO 22a_100000756455_100000210174 [0,2,0,0,0,0|2,0,0]=4 1528 B7R0.3 CCNNC(=O)NC 273464a_100102657272_100000756455 [0,2,0,0,0,0|2,0,0]=4 1529 B7R0.3 CCNNC(=O)NC 512a_100000756455_100102657272 [0,2,0,0,0,0|2,0,0]=4 1530 B7R0.3 CCNNC(=O)NC 512a_106832991638_100000756455 [0,2,0,0,0,0|2,0,0]=4 1531 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [0,2,0,0,0,0|1,0,0]=3 1532 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [0,2,0,0,0,0|1,0,0]=3 1533 B7R0.3 CCOCC(=O)CF 1458a_100000211967_100015361967 [0,2,0,0,0,0|1,0,0]=3 1534 B7R0.3 CCOCC(=O)NC 11a_106832991635_100000211967 [0,2,0,0,0,0|1,0,0]=3 1535 B7R0.3 CCOCC(=O)NC 1626a_100102657272_100000211967 [0,2,0,0,0,0|1,0,0]=3 1536 B7R0.3 CCOCC(=O)NC 240690a_100102657272_100000211967 [0,2,0,0,0,0|1,0,0]=3 1537 B7R0.3 CCOCC(=O)NC 34a_100000750040_100000210202 [0,2,0,0,0,0|1,0,0]=3 1538 B7R0.3 CCOCC(=O)NC 34a_100121572206_100000183359 [0,2,0,0,0,0|1,0,0]=3 1539 B7R0.3 CCOCC(=O)NC 527a_100102657272_100000211967 [0,2,0,0,0,0|1,0,0]=3 1540 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [0,2,0,0,0,0|1,0,0]=3 1541 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [0,2,0,0,0,0|1,0,0]=3 1542 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [0,2,0,0,0,0|1,0,0]=3 1543 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [0,2,0,0,0,0|1,0,0]=3 1544 B7R0.3 CCSCC(=O)CF 1458a_100000230394_100015361967 [0,2,0,0,0,0|1,0,0]=3 1545 B7R0.3 CCSCC(=O)NC 11a_106832991635_100000230394 [0,2,0,0,0,0|1,0,0]=3 1546 B7R0.3 CCSCC(=O)NC 1626a_100102657272_100000230394 [0,2,0,0,0,0|1,0,0]=3 1547 B7R0.3 CCSCC(=O)NC 240690a_100102657272_100000230394 [0,2,0,0,0,0|1,0,0]=3 1548 B7R0.3 CCSCC(=O)NC 527a_100102657272_100000230394 [0,2,0,0,0,0|1,0,0]=3 1549 B7R0.3 CCSCC(=O)NC 62a_100000183359_100000210202 [0,2,0,0,0,0|1,0,0]=3 1550 B7R0.3 CCSCC(=O)NC 62a_100000210202_100000183359 [0,2,0,0,0,0|1,0,0]=3 1551 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [0,2,0,0,0,0|1,0,0]=3 1552 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [0,2,0,0,0,0|1,0,0]=3 1553 B7R0.3 CN(CF)CCCO 269982a_100000213112_100015361967 [0,2,0,0,0,0|2,0,0]=4 1554 B7R0.3 CNC(=O)C=COC 1626a_100102657272_100016268678 [0,2,0,0,0,0|0,0,2]=4 1555 B7R0.3 CNC(=O)C=COC 240690a_100102657272_100016268678 [0,2,0,0,0,0|0,0,2]=4 1556 B7R0.3 CNC(=O)CCC#N 11a_106832991635_100011934036 [0,2,0,0,0,0|1,0,0]=3 1557 B7R0.3 CNC(=O)CCC#N 1626a_100102657272_100011934036 [0,2,0,0,0,0|1,0,0]=3 1558 B7R0.3 CNC(=O)CCC#N 240690a_100102657272_100011934036 [0,2,0,0,0,0|1,0,0]=3 1559 B7R0.3 CNC(=O)CCC#N 527a_100102657272_100011934036 [0,2,0,0,0,0|1,0,0]=3 1560 B7R0.3 CNC(=O)CCN[13CH3] 2230a_100000738227_200025704644 [0,2,0,0,0,0|1,0,0]=3 1561 B7R0.3 CNC(=O)CCN[13CH3] 34a_100000738227_200025704644 [0,2,0,0,0,0|1,0,0]=3 1562 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [0,2,0,0,0,0|0,0,0]=2 1563 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [0,2,0,0,0,0|0,0,0]=2 1564 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [0,2,0,0,0,0|0,0,0]=2 1565 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [0,2,0,0,0,0|0,0,0]=2 1566 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [0,2,0,0,0,0|0,0,0]=2 1567 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [0,2,0,0,0,0|0,0,0]=2 1568 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [0,2,0,0,0,0|0,0,0]=2 1569 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [0,2,0,0,0,0|0,1,0]=3 1570 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [0,2,0,0,0,0|0,1,0]=3 1571 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [0,2,0,0,0,0|0,1,0]=3 1572 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [0,2,0,0,0,0|0,1,0]=3 1573 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [0,2,0,0,0,0|0,1,0]=3 1574 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [0,2,0,0,0,0|0,1,0]=3 1575 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [0,2,0,0,0,0|0,1,0]=3 1576 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [0,2,0,0,0,0|0,1,0]=3 1577 B7R0.3 CNC(=O)CN=[N+]=[N-] 11a_106832991635_100000751907 [0,2,0,0,0,0|2,0,0]=4 1578 B7R0.3 CNC(=O)CN=[N+]=[N-] 240690a_100102657272_100000751907 [0,2,0,0,0,0|2,0,0]=4 1579 B7R0.3 CNC(=O)COCF 34a_100000750040_100015361967 [0,2,0,0,0,0|1,0,0]=3 1580 B7R0.3 CNC(=O)CSCF 62a_100000183359_100015361967 [0,2,0,0,0,0|1,0,0]=3 1581 B7R0.3 CNC(=O)CSCF 62a_100015361967_100000183359 [0,2,0,0,0,0|1,0,0]=3 1582 B7R0.3 CNC(=O)NCC#N 2708a_100000734998_106832991635 [0,2,0,0,0,0|1,0,1]=4 1583 B7R0.3 CNC(=O)NCC#N 273464a_100000734998_100102657272 [0,2,0,0,0,0|1,0,1]=4 1584 B7R0.3 CNC(=O)NCC#N 273464a_100102657272_100000734998 [0,2,0,0,0,0|1,0,1]=4 1585 B7R0.3 CNC(=O)NCC#N 512a_100000734998_100102657272 [0,2,0,0,0,0|1,0,1]=4 1586 B7R0.3 CNC(=O)NCC#N 512a_106832991638_100000734998 [0,2,0,0,0,0|1,0,1]=4 1587 B7R0.3 CNC(=O)NCCF 2708a_100102657272_100000724931 [0,2,0,0,0,0|1,0,0]=3 1588 B7R0.3 CNC(=O)NCCF 273464a_100000724931_100102657272 [0,2,0,0,0,0|1,0,0]=3 1589 B7R0.3 CNC(=O)NCCF 273464a_100102657272_100000724931 [0,2,0,0,0,0|1,0,0]=3 1590 B7R0.3 CNC(=O)NCCF 512a_106832991638_100000724931 [0,2,0,0,0,0|1,0,0]=3 1591 B7R0.3 CNC(=O)NCCO 2708a_100102657272_100000210304 [0,2,0,0,0,0|0,0,0]=2 1592 B7R0.3 CNC(=O)NCCO 273464a_100000210304_100102657272 [0,2,0,0,0,0|0,0,0]=2 1593 B7R0.3 CNC(=O)NCCO 273464a_100102657272_100000210304 [0,2,0,0,0,0|0,0,0]=2 1594 B7R0.3 CNC(=O)NCCO 512a_106832991638_100000210304 [0,2,0,0,0,0|0,0,0]=2 1595 B7R0.3 CNC(C)CCOC 270004a_106832991635_100000742357 [0,2,0,0,0,0|1,0,1]=4 1596 B7R0.3 CNCCC(=O)NC 2230a_100000738227_200000210301 [0,2,0,0,0,0|1,0,0]=3 1597 B7R0.3 CNCCC(=O)NC 2230a_106832991635_100000737683 [0,2,0,0,0,0|1,0,0]=3 1598 B7R0.3 CNCCC(=O)NC 34a_100000738227_200000210301 [0,2,0,0,0,0|1,0,0]=3 1599 B7R0.3 CNCCC(=O)NC 34a_100102657272_100012179268 [0,2,0,0,0,0|1,0,0]=3 1600 B7R0.3 CNCCC(=O)NC 7a_106832991635_100000737683 [0,2,0,0,0,0|1,0,0]=3 1601 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [0,2,0,0,0,0|1,0,0]=3 1602 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [0,2,0,0,0,0|1,0,0]=3 1603 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [0,2,0,0,0,0|1,0,0]=3 1604 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [0,2,0,0,0,0|0,1,0]=3 1605 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [0,2,0,0,0,0|0,1,0]=3 1606 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [0,2,0,0,0,0|0,1,0]=3 1607 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [0,2,0,0,0,0|0,1,0]=3 1608 B7R0.3 COC(=O)CSCF 62a_100000747449_100015361967 [0,2,0,0,0,0|1,0,0]=3 1609 B7R0.3 COC(=O)CSCF 62a_100015361967_100000747449 [0,2,0,0,0,0|1,0,0]=3 1610 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [0,2,0,0,0,0|1,1,0]=4 1611 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [0,2,0,0,0,0|1,1,0]=4 1612 B7R0.3 COC(C)CCO[13CH3] 7a_100000764861_200025704644 [0,2,0,0,0,0|0,0,2]=4 1613 B7R0.3 COC(C)SCCO 62a_100000211926_100009879195 [0,2,0,0,0,0|0,0,2]=4 1614 B7R0.3 COC(C)SCCO 62a_100009879195_100000211926 [0,2,0,0,0,0|0,0,2]=4 1615 B7R0.3 COC=CC(=O)CF 1458a_100016268678_100015361967 [0,2,0,0,0,0|0,0,2]=4 1616 B7R0.3 COCCC(=NO)N 34a_100000749954_200000210301 [0,2,0,0,0,0|1,0,1]=4 1617 B7R0.3 COCCC(=O)CF 1458a_100000749529_100015361967 [0,2,0,0,0,0|0,0,0]=2 1618 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [0,2,0,0,0,0|0,0,0]=2 1619 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [0,2,0,0,0,0|0,0,0]=2 1620 B7R0.3 COCCC(C)OC 7a_100000764861_200000210301 [0,2,0,0,0,0|0,0,2]=4 1621 B7R0.3 COCCN(C)CF 269982a_100000743101_100015361967 [0,2,0,0,0,0|2,0,0]=4 1622 B7R0.3 CSCCC(=O)CF 1458a_100000174002_100015361967 [0,2,0,0,0,0|0,1,0]=3 1623 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [0,2,0,0,0,0|0,1,0]=3 1624 B7R0.3 C[C@H](CO)NCCO 2230a_100000737577_100000211926 [0,2,0,0,0,0|0,0,2]=4 1625 B7R0.3 C[C@H](CO)SCCO 62a_100000211926_100016084084 [0,2,0,0,0,0|0,0,2]=4 1626 B7R0.3 C[C@H](CO)SCCO 62a_100016084084_100000211926 [0,2,0,0,0,0|0,0,2]=4 1627 B7R0.3 N#CCCC(=O)CF 1458a_100011934036_100015361967 [0,2,0,0,0,0|1,0,0]=3 1628 B7R0.3 N#CCCC(=O)CO 1458a_100000210174_100011215226 [0,2,0,0,0,0|1,0,0]=3 1629 B7R0.3 N#CCNC(=O)CO 527a_100000734998_100000210174 [0,2,0,0,0,0|1,0,1]=4 1630 B7R0.3 O=C(C#CCO)CF 1458a_100000049017_100015361967 [0,2,0,0,0,0|0,0,1]=3 1631 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [0,2,0,0,0,0|1,0,0]=3 1632 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [0,2,0,0,0,0|0,0,0]=2 1633 B7R0.3 O=C(CO)NCCF 240690a_100000724931_100000210174 [0,2,0,0,0,0|1,0,0]=3 1634 B7R0.3 O=C(CO)NCCF 527a_100000724931_100000210174 [0,2,0,0,0,0|1,0,0]=3 1635 B7R0.3 O=C(CO)NCCO 240690a_100000210304_100000210174 [0,2,0,0,0,0|0,0,0]=2 1636 B7R0.3 O=C(CO)NCCO 527a_100000210304_100000210174 [0,2,0,0,0,0|0,0,0]=2 1637 B7R0.3 [13CH3]OCCC(=NO)N 34a_100000749954_200025704644 [0,2,0,0,0,0|1,0,1]=4 1638 B7R0.5 C#CCC(=O)C(=C)C 1458a_100000185857_100000184674 [0,2,0,0,0,0|1,0,1]=4 1639 B7R0.5 C#CCC(=O)C(C)C 1458a_100000210198_100000184674 [0,2,0,0,0,0|1,0,1]=4 1640 B7R0.5 C#CCC(=O)C(C)C 1458a_100011220946_100000210206 [0,2,0,0,0,0|1,0,1]=4 1641 B7R0.5 C#CCC(=O)C(C)F 1458a_100000062450_100000184674 [0,2,0,0,0,0|1,0,1]=4 1642 B7R0.5 C#CCC(=O)C(O)O 1458a_100000233687_100000184674 [0,2,0,0,0,0|1,0,1]=4 1643 B7R0.5 C#CCC(=O)N(C)C 1626a_100102631434_100011220946 [0,2,0,0,0,0|1,0,1]=4 1644 B7R0.5 C#CCC(=O)N(C)C 527a_100102631434_100011220946 [0,2,0,0,0,0|1,0,1]=4 1645 B7R0.5 C#CCC(=O)[C@@H](C)O 1458a_100000717761_100000184674 [0,2,0,0,0,0|1,0,1]=4 1646 B7R0.5 C#CCC(=O)[C@H](C)O 1458a_217856618621_100000184674 [0,2,0,0,0,0|1,0,1]=4 1647 B7R0.5 C#CCN(C)C(=O)C 11a_100000225692_100015343762 [0,2,0,0,0,0|1,0,1]=4 1648 B7R0.5 C#CCN(C)C(=O)C 1626a_100000225692_100015343762 [0,2,0,0,0,0|1,0,1]=4 1649 B7R0.5 C#CCN(C)C(=O)C 527a_100000225692_100103153847 [0,2,0,0,0,0|1,0,1]=4 1650 B7R0.5 C=C(C)C(=O)CC#N 1458a_100000185857_100011214920 [0,2,0,0,0,0|1,0,1]=4 1651 B7R0.5 C=C(C)C(=O)CCC 1458a_100000185857_100000210303 [0,2,0,0,0,0|1,0,0]=3 1652 B7R0.5 C=C(C)C(=O)CCF 1458a_100000185857_100011217306 [0,2,0,0,0,0|1,0,0]=3 1653 B7R0.5 C=C(C)C(=O)CCO 1458a_100000185857_100000211926 [0,2,0,0,0,0|0,0,0]=2 1654 B7R0.5 C=C(C)C(=O)NCC 11a_100015525214_100000185857 [0,2,0,0,0,0|2,0,0]=4 1655 B7R0.5 C=C(C)C(C)NCC 269862a_100015525214_100011216138 [0,2,0,0,0,0|2,0,0]=4 1656 B7R0.5 C=CCC(=O)C(=C)C 1458a_100000185857_100000210623 [0,2,0,0,0,0|1,0,1]=4 1657 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210193_100000210206 [0,2,0,0,0,0|1,0,1]=4 1658 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210198_100000210623 [0,2,0,0,0,0|1,0,1]=4 1659 B7R0.5 C=CCC(=O)C(C)F 1458a_100000062450_100000210623 [0,2,0,0,0,0|1,0,1]=4 1660 B7R0.5 C=CCC(=O)C(O)O 1458a_100000233687_100000210623 [0,2,0,0,0,0|1,0,1]=4 1661 B7R0.5 C=CCC(=O)N(C)C 11a_100102631434_100000210193 [0,2,0,0,0,0|1,0,1]=4 1662 B7R0.5 C=CCC(=O)N(C)C 1626a_100102631434_100000210193 [0,2,0,0,0,0|1,0,1]=4 1663 B7R0.5 C=CCC(=O)N(C)C 240690a_100102631434_100000210193 [0,2,0,0,0,0|1,0,1]=4 1664 B7R0.5 C=CCC(=O)N(C)C 527a_100102631434_100000210193 [0,2,0,0,0,0|1,0,1]=4 1665 B7R0.5 C=CCC(=O)[C@@H](C)O 1458a_100000717761_100000210623 [0,2,0,0,0,0|1,0,1]=4 1666 B7R0.5 C=CCC(=O)[C@H](C)O 1458a_217856618621_100000210623 [0,2,0,0,0,0|1,0,1]=4 1667 B7R0.5 C=CCC(C)C(=O)C 1458a_100011216819_200000210301 [0,2,0,0,0,0|1,0,0]=3 1668 B7R0.5 C=CCC(C)C(=O)[13CH3] 1458a_100011216819_200025704644 [0,2,0,0,0,0|1,0,0]=3 1669 B7R0.5 C=CCN(C)C(=O)C 11a_100000225617_100015343762 [0,2,0,0,0,0|1,0,1]=4 1670 B7R0.5 C=CCN(C)C(=O)C 1626a_100000225617_100015343762 [0,2,0,0,0,0|1,0,1]=4 1671 B7R0.5 C=CCN(C)C(=O)C 240690a_100000225617_100015343762 [0,2,0,0,0,0|1,0,1]=4 1672 B7R0.5 C=CCN(C)C(=O)C 527a_100000225617_100103153847 [0,2,0,0,0,0|1,0,1]=4 1673 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_100011261029_200025704644 [0,2,0,0,0,0|0,1,1]=4 1674 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_200025704644_100011261029 [0,2,0,0,0,0|0,1,1]=4 1675 B7R0.5 CC(=O)C(C)CC#N 1458a_100000070787_100009813641 [0,2,0,0,0,0|1,0,0]=3 1676 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [0,2,0,0,0,0|0,0,0]=2 1677 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [0,2,0,0,0,0|0,0,0]=2 1678 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [0,2,0,0,0,0|0,0,0]=2 1679 B7R0.5 CC(=O)C(C)OCF 34a_100000212229_100015361967 [0,2,0,0,0,0|1,0,0]=3 1680 B7R0.5 CC(=O)C(C)SCF 62a_100009814033_100015361967 [0,2,0,0,0,0|1,0,0]=3 1681 B7R0.5 CC(=O)C(C)SCF 62a_100015361967_100009814033 [0,2,0,0,0,0|1,0,0]=3 1682 B7R0.5 CC(=O)N(C)CC#N 11a_100000748184_100015343762 [0,2,0,0,0,0|1,0,1]=4 1683 B7R0.5 CC(=O)N(C)CC#N 1626a_100000748184_100015343762 [0,2,0,0,0,0|1,0,1]=4 1684 B7R0.5 CC(=O)N(C)CCO 240690a_100000210263_100015343762 [0,2,0,0,0,0|0,0,0]=2 1685 B7R0.5 CC(=O)N(C)CCO 527a_100000210263_100103153847 [0,2,0,0,0,0|0,0,0]=2 1686 B7R0.5 CC(C)C(=O)CC#N 1458a_100000210198_100011214920 [0,2,0,0,0,0|1,0,1]=4 1687 B7R0.5 CC(C)C(=O)CC#N 1458a_100051588842_100000210206 [0,2,0,0,0,0|1,0,1]=4 1688 B7R0.5 CC(C)C(=O)CCF 1458a_100000210198_100011217306 [0,2,0,0,0,0|1,0,0]=3 1689 B7R0.5 CC(C)C(=O)CCO 1458a_100000210198_100000211926 [0,2,0,0,0,0|0,0,0]=2 1690 B7R0.5 CC(C)C(=O)CCO 1458a_100011216618_100000210206 [0,2,0,0,0,0|0,0,0]=2 1691 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_100000753385_200025704644 [0,2,0,0,0,0|2,0,0]=4 1692 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_200025704644_100000753385 [0,2,0,0,0,0|2,0,0]=4 1693 B7R0.5 CC(C)N(C)CCO 2230a_100000210263_100000210206 [0,2,0,0,0,0|1,0,1]=4 1694 B7R0.5 CC(C)N(C)CCO 2230a_100000224655_200000210301 [0,2,0,0,0,0|1,0,1]=4 1695 B7R0.5 CC(C)N(C)CCO 269982a_100000210263_100000210206 [0,2,0,0,0,0|1,0,1]=4 1696 B7R0.5 CC(C)N(C)CCO 269982a_100000224655_200000210301 [0,2,0,0,0,0|1,0,1]=4 1697 B7R0.5 CC(C)N(C)CCO 269982a_200000211004_100000211926 [0,2,0,0,0,0|1,0,1]=4 1698 B7R0.5 CC(C)N([13CH3])CCO 2230a_100000224655_200025704644 [0,2,0,0,0,0|1,0,1]=4 1699 B7R0.5 CC(C)N([13CH3])CCO 269982a_100000224655_200025704644 [0,2,0,0,0,0|1,0,1]=4 1700 B7R0.5 CC(C)[C@@H](N)CO[13CH3] 34a_100011830312_200025704644 [0,2,0,0,0,0|1,0,1]=4 1701 B7R0.5 CC(CCO)N(C)C 2230a_100000731037_200000210301 [0,2,0,0,0,0|1,0,1]=4 1702 B7R0.5 CC(CCO)N(C)C 2230a_100102631434_100009893172 [0,2,0,0,0,0|1,0,1]=4 1703 B7R0.5 CC(CCO)N(C)C 269982a_100000731037_200000210301 [0,2,0,0,0,0|1,0,1]=4 1704 B7R0.5 CC(CCO)N(C)C 269982a_100102631434_100009893172 [0,2,0,0,0,0|1,0,1]=4 1705 B7R0.5 CC(CCO)N(C)[13CH3] 2230a_100000731037_200025704644 [0,2,0,0,0,0|1,0,1]=4 1706 B7R0.5 CC(CCO)N(C)[13CH3] 269982a_100000731037_200025704644 [0,2,0,0,0,0|1,0,1]=4 1707 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [0,2,0,0,0,0|2,0,0]=4 1708 B7R0.5 CC(CO[13CH3])[N+](=O)[O-] 34a_100000039676_200025704644 [0,2,0,0,0,0|2,0,0]=4 1709 B7R0.5 CC(CO[13CH3])[N+](=O)[O-] 7a_100000039676_200025704644 [0,2,0,0,0,0|2,0,0]=4 1710 B7R0.5 CC(F)C(=O)CC#N 1458a_100000062450_100011214920 [0,2,0,0,0,0|1,0,1]=4 1711 B7R0.5 CC(F)C(=O)CCF 1458a_100000062450_100011217306 [0,2,0,0,0,0|1,0,0]=3 1712 B7R0.5 CC(F)C(=O)CCO 1458a_100000062450_100000211926 [0,2,0,0,0,0|0,0,0]=2 1713 B7R0.5 CC(SCF)C(=O)N 62a_100000702099_100015361967 [0,2,0,0,0,0|2,0,0]=4 1714 B7R0.5 CC(SCF)C(=O)N 62a_100015361967_100000702099 [0,2,0,0,0,0|2,0,0]=4 1715 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [0,2,0,0,0,0|1,0,1]=4 1716 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [0,2,0,0,0,0|1,0,1]=4 1717 B7R0.5 CCCC(=O)C(C)C 1458a_100000210198_100000210303 [0,2,0,0,0,0|1,0,0]=3 1718 B7R0.5 CCCC(=O)C(C)C 1458a_100000211992_100000210206 [0,2,0,0,0,0|1,0,0]=3 1719 B7R0.5 CCCC(=O)C(C)F 1458a_100000062450_100000210303 [0,2,0,0,0,0|1,0,0]=3 1720 B7R0.5 CCCC(=O)C(O)O 1458a_100000233687_100000210303 [0,2,0,0,0,0|1,0,0]=3 1721 B7R0.5 CCCC(=O)N(C)C 11a_100102631434_100000211992 [0,2,0,0,0,0|1,0,0]=3 1722 B7R0.5 CCCC(=O)N(C)C 1626a_100102631434_100000211992 [0,2,0,0,0,0|1,0,0]=3 1723 B7R0.5 CCCC(=O)N(C)C 240690a_100102631434_100000211992 [0,2,0,0,0,0|1,0,0]=3 1724 B7R0.5 CCCC(=O)N(C)C 527a_100102631434_100000211992 [0,2,0,0,0,0|1,0,0]=3 1725 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [0,2,0,0,0,0|1,0,0]=3 1726 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [0,2,0,0,0,0|1,0,0]=3 1727 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [0,2,0,0,0,0|1,0,0]=3 1728 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [0,2,0,0,0,0|1,0,0]=3 1729 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [0,2,0,0,0,0|1,0,0]=3 1730 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [0,2,0,0,0,0|1,0,0]=3 1731 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [0,2,0,0,0,0|1,0,0]=3 1732 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [0,2,0,0,0,0|1,0,0]=3 1733 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [0,2,0,0,0,0|1,0,0]=3 1734 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [0,2,0,0,0,0|1,0,0]=3 1735 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [0,2,0,0,0,0|1,0,0]=3 1736 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [0,2,0,0,0,0|1,0,1]=4 1737 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [0,2,0,0,0,0|1,0,1]=4 1738 B7R0.5 CCNC(=O)C(C)C 11a_100015525214_100000210198 [0,2,0,0,0,0|2,0,0]=4 1739 B7R0.5 CCNC(=O)C(C)C 240690a_100015525214_100000210198 [0,2,0,0,0,0|2,0,0]=4 1740 B7R0.5 CCNC(=O)C(C)C 527a_100015525214_100000210198 [0,2,0,0,0,0|2,0,0]=4 1741 B7R0.5 CCNC(=O)C(C)F 11a_100015525214_100000062450 [0,2,0,0,0,0|2,0,0]=4 1742 B7R0.5 CCNC(=O)C(C)F 240690a_100015525214_100000062450 [0,2,0,0,0,0|2,0,0]=4 1743 B7R0.5 CCNC(=O)C(C)F 527a_100015525214_100000062450 [0,2,0,0,0,0|2,0,0]=4 1744 B7R0.5 CCNC(=O)C(F)F 11a_100015525214_100000210393 [0,2,0,0,0,0|2,0,0]=4 1745 B7R0.5 CCNC(=O)C(F)F 240690a_100015525214_100000210393 [0,2,0,0,0,0|2,0,0]=4 1746 B7R0.5 CCNC(=O)C(F)F 527a_100015525214_100000210393 [0,2,0,0,0,0|2,0,0]=4 1747 B7R0.5 CCNC(=O)C(O)O 240690a_100015525214_100000233687 [0,2,0,0,0,0|2,0,0]=4 1748 B7R0.5 CCNC(=O)N(C)C 2708a_100015525214_100102631434 [0,2,0,0,0,0|2,0,0]=4 1749 B7R0.5 CCNC(=O)[C@@H](C)O 240690a_100015525214_100000717761 [0,2,0,0,0,0|2,0,0]=4 1750 B7R0.5 CCNC(=O)[C@H](C)O 240690a_100015525214_217856618621 [0,2,0,0,0,0|2,0,0]=4 1751 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [0,2,0,0,0,0|1,0,0]=3 1752 B7R0.5 CCNC(C)C(=O)N 2230a_100015525214_100000702099 [0,2,0,0,0,0|2,0,0]=4 1753 B7R0.5 CCNC(F)C(=O)N 2230a_100015525214_100009813875 [0,2,0,0,0,0|2,0,0]=4 1754 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [0,2,0,0,0,0|2,0,0]=4 1755 B7R0.5 CCN[C@H](C)C(=O)N 2230a_100000119354_100000210202 [0,2,0,0,0,0|2,0,0]=4 1756 B7R0.5 CCN[C@H](C)C(=O)N 34a_100000119354_100000210202 [0,2,0,0,0,0|2,0,0]=4 1757 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [0,2,0,0,0,0|1,0,0]=3 1758 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [0,2,0,0,0,0|1,0,0]=3 1759 B7R0.5 CCOC(C)C(=O)N 34a_100121572206_100000702099 [0,2,0,0,0,0|2,0,0]=4 1760 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [0,2,0,0,0,0|1,0,0]=3 1761 B7R0.5 CCOC(F)C(=O)N 34a_100121572206_100009813875 [0,2,0,0,0,0|2,0,0]=4 1762 B7R0.5 CCOC(F)C(=O)[O-] 34a_100121572206_100020610796 [0,2,0,0,0,0|2,0,0]=4 1763 B7R0.5 CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210202 [0,2,0,0,0,0|2,0,0]=4 1764 B7R0.5 CCO[C@H](C)C(=O)N 34a_100000731257_100000210202 [0,2,0,0,0,0|2,0,0]=4 1765 B7R0.5 CCO[C@H](C)C(=O)N 7a_100000731257_100000210202 [0,2,0,0,0,0|2,0,0]=4 1766 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [0,2,0,0,0,0|1,0,0]=3 1767 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [0,2,0,0,0,0|1,0,0]=3 1768 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [0,2,0,0,0,0|1,0,0]=3 1769 B7R0.5 CCSC(C)C(=O)N 62a_100000210202_100000702099 [0,2,0,0,0,0|2,0,0]=4 1770 B7R0.5 CCSC(C)C(=O)N 62a_100000702099_100000210202 [0,2,0,0,0,0|2,0,0]=4 1771 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [0,2,0,0,0,0|1,0,0]=3 1772 B7R0.5 CCSC(F)C(=O)N 62a_100000210202_100009813875 [0,2,0,0,0,0|2,0,0]=4 1773 B7R0.5 CCSC(F)C(=O)N 62a_100009813875_100000210202 [0,2,0,0,0,0|2,0,0]=4 1774 B7R0.5 CCSC(F)C(=O)[O-] 62a_100000210202_100020610796 [0,2,0,0,0,0|2,0,0]=4 1775 B7R0.5 CCSC(F)C(=O)[O-] 62a_100020610796_100000210202 [0,2,0,0,0,0|2,0,0]=4 1776 B7R0.5 CN(C)C(=O)CC#N 1626a_100102631434_100051588842 [0,2,0,0,0,0|1,0,1]=4 1777 B7R0.5 CN(C)C(=O)CC#N 240690a_100102631434_100051588842 [0,2,0,0,0,0|1,0,1]=4 1778 B7R0.5 CN(C)C(=O)CCO 240690a_100102631434_100011216618 [0,2,0,0,0,0|0,0,0]=2 1779 B7R0.5 CN(C)C(=O)CN[13CH3] 2230a_100015183351_200025704644 [0,2,0,0,0,0|2,0,0]=4 1780 B7R0.5 CN(C)C(=O)CS[13CH3] 62a_100000692301_200025704644 [0,2,0,0,0,0|2,0,0]=4 1781 B7R0.5 CN(C)C(=O)CS[13CH3] 62a_200025704644_100000692301 [0,2,0,0,0,0|2,0,0]=4 1782 B7R0.5 CNCC(=O)C(=O)C 34a_100102657272_100011261029 [0,2,0,0,0,0|1,0,1]=4 1783 B7R0.5 CNCC(=O)C(C)C 2230a_106832991635_100000753385 [0,2,0,0,0,0|2,0,0]=4 1784 B7R0.5 CNCC(=O)C(C)C 34a_100102657272_100000753385 [0,2,0,0,0,0|2,0,0]=4 1785 B7R0.5 CNCC(=O)C(C)C 7a_106832991635_100000753385 [0,2,0,0,0,0|2,0,0]=4 1786 B7R0.5 CNCC(=O)N(C)C 2230a_100015183351_200000210301 [0,2,0,0,0,0|2,0,0]=4 1787 B7R0.5 CNCC(=O)N(C)C 2230a_106832991635_100000185267 [0,2,0,0,0,0|2,0,0]=4 1788 B7R0.5 CNCC(=O)N(C)C 34a_100102657272_100000692301 [0,2,0,0,0,0|2,0,0]=4 1789 B7R0.5 CNCC(=O)N(C)C 7a_106832991635_100000692301 [0,2,0,0,0,0|2,0,0]=4 1790 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [0,2,0,0,0,0|2,0,0]=4 1791 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [0,2,0,0,0,0|2,0,0]=4 1792 B7R0.5 CO/N=C(\C)/C(=O)C 1458a_100160996864_200000210301 [0,2,0,0,0,0|1,0,1]=4 1793 B7R0.5 CO/N=C(\C)/C(=O)[13CH3] 1458a_100160996864_200025704644 [0,2,0,0,0,0|1,0,1]=4 1794 B7R0.5 COCC(=O)C(=O)C 34a_100138415774_100011261029 [0,2,0,0,0,0|0,0,1]=3 1795 B7R0.5 COCC(=O)C(C)C 1458a_100000210968_100000210206 [0,2,0,0,0,0|2,0,0]=4 1796 B7R0.5 COCC(=O)C(C)C 34a_100138415774_100000753385 [0,2,0,0,0,0|2,0,0]=4 1797 B7R0.5 COCC(=O)N(C)C 11a_100102631434_100000210968 [0,2,0,0,0,0|2,0,0]=4 1798 B7R0.5 COCC(=O)N(C)C 1626a_100102631434_100000210968 [0,2,0,0,0,0|2,0,0]=4 1799 B7R0.5 COCC(=O)N(C)C 240690a_100102631434_100000210968 [0,2,0,0,0,0|2,0,0]=4 1800 B7R0.5 COCC(=O)N(C)C 34a_100138415774_100000692301 [0,2,0,0,0,0|2,0,0]=4 1801 B7R0.5 COCC(=O)N(C)C 527a_100102631434_100000210968 [0,2,0,0,0,0|2,0,0]=4 1802 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [0,2,0,0,0,0|0,0,0]=2 1803 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [0,2,0,0,0,0|0,0,0]=2 1804 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [0,2,0,0,0,0|0,0,0]=2 1805 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [0,2,0,0,0,0|0,0,0]=2 1806 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [0,2,0,0,0,0|0,0,0]=2 1807 B7R0.5 COCC(C)N(C)C 2230a_100102631434_100000765312 [0,2,0,0,0,0|2,0,0]=4 1808 B7R0.5 COCC(C)N(C)C 269982a_100102631434_100000765312 [0,2,0,0,0,0|2,0,0]=4 1809 B7R0.5 COCC(C)N(C)C 270004a_100102631434_100000749346 [0,2,0,0,0,0|2,0,0]=4 1810 B7R0.5 COCC(C)[N+](=O)[O-] 34a_100000039676_200000210301 [0,2,0,0,0,0|2,0,0]=4 1811 B7R0.5 COCC(C)[N+](=O)[O-] 7a_100000039676_200000210301 [0,2,0,0,0,0|2,0,0]=4 1812 B7R0.5 COC[C@H](N)C(=O)N 34a_100000729942_200000210301 [0,2,0,0,0,0|1,0,0]=3 1813 B7R0.5 COC[C@H](N)C(C)C 34a_100011830312_200000210301 [0,2,0,0,0,0|1,0,1]=4 1814 B7R0.5 CSCC(=O)C(=O)C 62a_100011261029_200000210301 [0,2,0,0,0,0|0,1,1]=4 1815 B7R0.5 CSCC(=O)C(=O)C 62a_200000210301_100011261029 [0,2,0,0,0,0|0,1,1]=4 1816 B7R0.5 CSCC(=O)C(C)C 1458a_100000184570_100000210206 [0,2,0,0,0,0|2,0,0]=4 1817 B7R0.5 CSCC(=O)C(C)C 62a_100000753385_200000210301 [0,2,0,0,0,0|2,0,0]=4 1818 B7R0.5 CSCC(=O)C(C)C 62a_200000210301_100000753385 [0,2,0,0,0,0|2,0,0]=4 1819 B7R0.5 CSCC(=O)N(C)C 11a_100102631434_100000184570 [0,2,0,0,0,0|2,0,0]=4 1820 B7R0.5 CSCC(=O)N(C)C 1626a_100102631434_100000184570 [0,2,0,0,0,0|2,0,0]=4 1821 B7R0.5 CSCC(=O)N(C)C 240690a_100102631434_100000184570 [0,2,0,0,0,0|2,0,0]=4 1822 B7R0.5 CSCC(=O)N(C)C 527a_100102631434_100000184570 [0,2,0,0,0,0|2,0,0]=4 1823 B7R0.5 CSCC(=O)N(C)C 62a_100000692301_200000210301 [0,2,0,0,0,0|2,0,0]=4 1824 B7R0.5 CSCC(=O)N(C)C 62a_200000210301_100000692301 [0,2,0,0,0,0|2,0,0]=4 1825 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [0,2,0,0,0,0|0,1,0]=3 1826 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [0,2,0,0,0,0|0,1,0]=3 1827 B7R0.5 C[C@@H](NCF)C(=O)N 34a_100000119354_100015361967 [0,2,0,0,0,0|2,0,0]=4 1828 B7R0.5 C[C@@H](O)C(=O)CC#N 1458a_100000717761_100011214920 [0,2,0,0,0,0|1,0,1]=4 1829 B7R0.5 C[C@@H](O)C(=O)CCF 1458a_100000717761_100011217306 [0,2,0,0,0,0|1,0,0]=3 1830 B7R0.5 C[C@@H](O)C(=O)CCO 1458a_100000717761_100000211926 [0,2,0,0,0,0|0,0,0]=2 1831 B7R0.5 C[C@@H](OCF)C(=O)N 34a_100000731257_100015361967 [0,2,0,0,0,0|2,0,0]=4 1832 B7R0.5 C[C@@H](OCF)C(=O)N 7a_100000731257_100015361967 [0,2,0,0,0,0|2,0,0]=4 1833 B7R0.5 C[C@H](NCF)C(=O)O 269956a_100000743915_100015361967 [0,2,0,0,0,0|2,0,0]=4 1834 B7R0.5 C[C@H](O)C(=O)CC#N 1458a_217856618621_100011214920 [0,2,0,0,0,0|1,0,1]=4 1835 B7R0.5 C[C@H](O)C(=O)CCF 1458a_217856618621_100011217306 [0,2,0,0,0,0|1,0,0]=3 1836 B7R0.5 C[C@H](O)C(=O)CCO 1458a_217856618621_100000211926 [0,2,0,0,0,0|0,0,0]=2 1837 B7R0.5 C[C@H](OCF)C(=O)[O-] 7a_217856618621_100015361967 [0,2,0,0,0,0|2,0,0]=4 1838 B7R0.5 N#CCC(=O)C(O)O 1458a_100000233687_100011214920 [0,2,0,0,0,0|1,0,1]=4 1839 B7R0.5 NC(=O)C(F)SCF 62a_100009813875_100015361967 [0,2,0,0,0,0|2,0,0]=4 1840 B7R0.5 NC(=O)C(F)SCF 62a_100015361967_100009813875 [0,2,0,0,0,0|2,0,0]=4 1841 B7R0.5 O=C(CCF)C(O)O 1458a_100000233687_100011217306 [0,2,0,0,0,0|1,0,0]=3 1842 B7R0.5 O=C(CCO)C(O)O 1458a_100000233687_100000211926 [0,2,0,0,0,0|0,0,0]=2 1843 B7R0.5 O=C([O-])C(F)SCF 62a_100015361967_100020610796 [0,2,0,0,0,0|2,0,0]=4 1844 B7R0.5 O=C([O-])C(F)SCF 62a_100020610796_100015361967 [0,2,0,0,0,0|2,0,0]=4 1845 B7R0.5 [13CH3]NCC(F)C(=O)O 269956a_100000084737_200025704644 [0,2,0,0,0,0|2,0,0]=4 1846 B7R0.5 [13CH3]OC[C@H](N)C(=O)N 34a_100000729942_200025704644 [0,2,0,0,0,0|1,0,0]=3 1847 B7R0.7 C#CCC(=O)C#CC 1458a_100000763181_100000184674 [0,2,0,0,0,0|1,0,1]=4 1848 B7R0.7 C#CCC(=O)C=CC 1458a_100000210699_100000184674 [0,2,0,0,0,0|1,0,1]=4 1849 B7R0.7 C#CCC(=O)CC#C 1458a_100011220946_100000184674 [0,2,0,0,0,0|1,0,1]=4 1850 B7R0.7 C#CCC(=O)CC#N 1458a_100011220946_100011214920 [0,2,0,0,0,0|1,0,1]=4 1851 B7R0.7 C#CCC(=O)CC#N 1458a_100051588842_100000184674 [0,2,0,0,0,0|1,0,1]=4 1852 B7R0.7 C#CCC(=O)CC=C 1458a_100000210193_100000184674 [0,2,0,0,0,0|1,0,1]=4 1853 B7R0.7 C#CCC(=O)CC=C 1458a_100011220946_100000210623 [0,2,0,0,0,0|1,0,1]=4 1854 B7R0.7 C#CCC(=O)CCC 1458a_100000211992_100000184674 [0,2,0,0,0,0|1,0,0]=3 1855 B7R0.7 C#CCC(=O)CCC 1458a_100011220946_100000210303 [0,2,0,0,0,0|1,0,0]=3 1856 B7R0.7 C#CCC(=O)CCF 1458a_100011220946_100011217306 [0,2,0,0,0,0|1,0,0]=3 1857 B7R0.7 C#CCC(=O)CCO 1458a_100011216618_100000184674 [0,2,0,0,0,0|0,0,0]=2 1858 B7R0.7 C#CCC(=O)CCO 1458a_100011220946_100000211926 [0,2,0,0,0,0|0,0,0]=2 1859 B7R0.7 C#CCC(=O)COC 1458a_100000210968_100000184674 [0,2,0,0,0,0|1,0,1]=4 1860 B7R0.7 C#CCC(=O)CSC 1458a_100000184570_100000184674 [0,2,0,0,0,0|1,0,1]=4 1861 B7R0.7 C#CCC(=O)NCC 527a_100015525214_100011220946 [0,2,0,0,0,0|1,0,1]=4 1862 B7R0.7 C#CCN(C)CCO 2230a_100000210263_100000038162 [0,2,0,0,0,0|2,0,0]=4 1863 B7R0.7 C#CCN(C)CCO 2230a_100000225692_100000211926 [0,2,0,0,0,0|2,0,0]=4 1864 B7R0.7 C#CCN(C)CCO 34a_100000225692_100000211926 [0,2,0,0,0,0|2,0,0]=4 1865 B7R0.7 C=CCC(=O)C#CC 1458a_100000763181_100000210623 [0,2,0,0,0,0|1,0,1]=4 1866 B7R0.7 C=CCC(=O)C=CC 1458a_100000210699_100000210623 [0,2,0,0,0,0|1,0,1]=4 1867 B7R0.7 C=CCC(=O)CC#N 1458a_100000210193_100011214920 [0,2,0,0,0,0|1,0,1]=4 1868 B7R0.7 C=CCC(=O)CC#N 1458a_100051588842_100000210623 [0,2,0,0,0,0|1,0,1]=4 1869 B7R0.7 C=CCC(=O)CC=C 1458a_100000210193_100000210623 [0,2,0,0,0,0|1,0,1]=4 1870 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [0,2,0,0,0,0|1,0,0]=3 1871 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [0,2,0,0,0,0|1,0,0]=3 1872 B7R0.7 C=CCC(=O)CCF 1458a_100000210193_100011217306 [0,2,0,0,0,0|1,0,0]=3 1873 B7R0.7 C=CCC(=O)CCO 1458a_100000210193_100000211926 [0,2,0,0,0,0|0,0,0]=2 1874 B7R0.7 C=CCC(=O)CCO 1458a_100011216618_100000210623 [0,2,0,0,0,0|0,0,0]=2 1875 B7R0.7 C=CCC(=O)COC 1458a_100000210968_100000210623 [0,2,0,0,0,0|1,0,1]=4 1876 B7R0.7 C=CCC(=O)CSC 1458a_100000184570_100000210623 [0,2,0,0,0,0|1,0,1]=4 1877 B7R0.7 C=CCC(=O)NCC 11a_100015525214_100000210193 [0,2,0,0,0,0|1,0,1]=4 1878 B7R0.7 C=CCC(=O)NCC 240690a_100015525214_100000210193 [0,2,0,0,0,0|1,0,1]=4 1879 B7R0.7 C=CCC(=O)NCC 527a_100015525214_100000210193 [0,2,0,0,0,0|1,0,1]=4 1880 B7R0.7 C=CCC(=O)NNC 22a_100016993582_100000210193 [0,2,0,0,0,0|1,0,1]=4 1881 B7R0.7 C=CCN(C)CCO 2230a_100000210263_100000210623 [0,2,0,0,0,0|2,0,0]=4 1882 B7R0.7 C=CCN(C)CCO 2230a_100000225617_100000211926 [0,2,0,0,0,0|2,0,0]=4 1883 B7R0.7 C=CCN(C)CCO 269982a_100000210263_100000210623 [0,2,0,0,0,0|2,0,0]=4 1884 B7R0.7 C=CCN(C)CCO 269982a_100000225617_100000211926 [0,2,0,0,0,0|2,0,0]=4 1885 B7R0.7 CC#CC(=O)CC#N 1458a_100000763181_100011214920 [0,2,0,0,0,0|1,0,1]=4 1886 B7R0.7 CC#CC(=O)CCC 1458a_100000763181_100000210303 [0,2,0,0,0,0|1,0,0]=3 1887 B7R0.7 CC#CC(=O)CCF 1458a_100000763181_100011217306 [0,2,0,0,0,0|1,0,0]=3 1888 B7R0.7 CC#CC(=O)CCO 1458a_100000763181_100000211926 [0,2,0,0,0,0|0,0,0]=2 1889 B7R0.7 CC(CCO)SCF 62a_100009893172_100015361967 [0,2,0,0,0,0|0,1,1]=4 1890 B7R0.7 CC(CCO)SCF 62a_100015361967_100009893172 [0,2,0,0,0,0|0,1,1]=4 1891 B7R0.7 CC=CC(=O)CC#N 1458a_100000210699_100011214920 [0,2,0,0,0,0|1,0,1]=4 1892 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [0,2,0,0,0,0|1,0,0]=3 1893 B7R0.7 CC=CC(=O)CCF 1458a_100000210699_100011217306 [0,2,0,0,0,0|1,0,0]=3 1894 B7R0.7 CC=CC(=O)CCO 1458a_100000210699_100000211926 [0,2,0,0,0,0|0,0,0]=2 1895 B7R0.7 CC=CC(=O)NCC 11a_100015525214_100000210699 [0,2,0,0,0,0|2,0,0]=4 1896 B7R0.7 CC=CC(=O)NCC 240690a_100015525214_100000210699 [0,2,0,0,0,0|2,0,0]=4 1897 B7R0.7 CCCC(=O)C=CBr 1458a_100016273825_100000210303 [0,2,0,0,0,0|1,0,1]=4 1898 B7R0.7 CCCC(=O)C=CCl 1458a_200016279998_100000210303 [0,2,0,0,0,0|1,0,1]=4 1899 B7R0.7 CCCC(=O)C=CI 1458a_100016256311_100000210303 [0,2,0,0,0,0|1,0,1]=4 1900 B7R0.7 CCCC(=O)CC#N 1458a_100000211992_100011214920 [0,2,0,0,0,0|1,0,0]=3 1901 B7R0.7 CCCC(=O)CC#N 1458a_100051588842_100000210303 [0,2,0,0,0,0|1,0,0]=3 1902 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [0,2,0,0,0,0|1,0,0]=3 1903 B7R0.7 CCCC(=O)CCF 1458a_100000211992_100011217306 [0,2,0,0,0,0|1,0,0]=3 1904 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [0,2,0,0,0,0|0,0,0]=2 1905 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [0,2,0,0,0,0|0,0,0]=2 1906 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [0,2,0,0,0,0|1,0,0]=3 1907 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [0,2,0,0,0,0|1,0,0]=3 1908 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [0,2,0,0,0,0|1,0,0]=3 1909 B7R0.7 CCCC(=O)CSC 1458a_100000184570_100000210303 [0,2,0,0,0,0|1,0,0]=3 1910 B7R0.7 CCCC(=O)CSC 62a_100000747444_200000210301 [0,2,0,0,0,0|1,0,0]=3 1911 B7R0.7 CCCC(=O)CSC 62a_200000210301_100000747444 [0,2,0,0,0,0|1,0,0]=3 1912 B7R0.7 CCCC(=O)CS[13CH3] 62a_100000747444_200025704644 [0,2,0,0,0,0|1,0,0]=3 1913 B7R0.7 CCCC(=O)CS[13CH3] 62a_200025704644_100000747444 [0,2,0,0,0,0|1,0,0]=3 1914 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [0,2,0,0,0,0|1,0,0]=3 1915 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [0,2,0,0,0,0|1,0,0]=3 1916 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [0,2,0,0,0,0|1,0,0]=3 1917 B7R0.7 CCCC(=O)NNC 22a_100016993582_100000211992 [0,2,0,0,0,0|1,0,0]=3 1918 B7R0.7 CCCN(C)CC=O 2230a_100000747261_200015260668 [0,2,0,0,0,0|2,0,0]=4 1919 B7R0.7 CCCN(C)CC=O 269982a_100000747261_200015260668 [0,2,0,0,0,0|2,0,0]=4 1920 B7R0.7 CCCN(C)CCO 2230a_100000210263_100000210303 [0,2,0,0,0,0|2,0,0]=4 1921 B7R0.7 CCCN(C)CCO 2230a_100000211420_200000210301 [0,2,0,0,0,0|2,0,0]=4 1922 B7R0.7 CCCN(C)CCO 2230a_100000747261_100000211926 [0,2,0,0,0,0|2,0,0]=4 1923 B7R0.7 CCCN(C)CCO 269982a_100000210263_100000210303 [0,2,0,0,0,0|2,0,0]=4 1924 B7R0.7 CCCN(C)CCO 269982a_100000211420_200000210301 [0,2,0,0,0,0|2,0,0]=4 1925 B7R0.7 CCCN(C)CCO 269982a_100000747261_100000211926 [0,2,0,0,0,0|2,0,0]=4 1926 B7R0.7 CCCN([13CH3])CCO 2230a_100000211420_200025704644 [0,2,0,0,0,0|2,0,0]=4 1927 B7R0.7 CCCN([13CH3])CCO 269982a_100000211420_200025704644 [0,2,0,0,0,0|2,0,0]=4 1928 B7R0.7 CCNC(=O)CC#N 240690a_100015525214_100051588842 [0,2,0,0,0,0|1,0,1]=4 1929 B7R0.7 CCNC(=O)CCO 240690a_100015525214_100011216618 [0,2,0,0,0,0|0,0,0]=2 1930 B7R0.7 CCNC(=O)CNC 2230a_100016988866_200000210301 [0,2,0,0,0,0|2,0,0]=4 1931 B7R0.7 CCNC(=O)CNC 2230a_106832991635_100000183381 [0,2,0,0,0,0|2,0,0]=4 1932 B7R0.7 CCNC(=O)CNC 34a_100102657272_100000183381 [0,2,0,0,0,0|2,0,0]=4 1933 B7R0.7 CCNC(=O)CNC 7a_106832991635_100000183381 [0,2,0,0,0,0|2,0,0]=4 1934 B7R0.7 CCNC(=O)CN[13CH3] 2230a_100016988866_200025704644 [0,2,0,0,0,0|2,0,0]=4 1935 B7R0.7 CCNC(=O)COC 11a_100015525214_100000210968 [0,2,0,0,0,0|2,0,0]=4 1936 B7R0.7 CCNC(=O)COC 240690a_100015525214_100000210968 [0,2,0,0,0,0|2,0,0]=4 1937 B7R0.7 CCNC(=O)COC 34a_100138415774_100000183381 [0,2,0,0,0,0|2,0,0]=4 1938 B7R0.7 CCNC(=O)COC 527a_100015525214_100000210968 [0,2,0,0,0,0|2,0,0]=4 1939 B7R0.7 CCNC(=O)CSC 11a_100015525214_100000184570 [0,2,0,0,0,0|2,0,0]=4 1940 B7R0.7 CCNC(=O)CSC 240690a_100015525214_100000184570 [0,2,0,0,0,0|2,0,0]=4 1941 B7R0.7 CCNC(=O)CSC 527a_100015525214_100000184570 [0,2,0,0,0,0|2,0,0]=4 1942 B7R0.7 CCNC(=O)CSC 62a_100000183381_200000210301 [0,2,0,0,0,0|2,0,0]=4 1943 B7R0.7 CCNC(=O)CSC 62a_200000210301_100000183381 [0,2,0,0,0,0|2,0,0]=4 1944 B7R0.7 CCNC(=O)CS[13CH3] 62a_100000183381_200025704644 [0,2,0,0,0,0|2,0,0]=4 1945 B7R0.7 CCNC(=O)CS[13CH3] 62a_200025704644_100000183381 [0,2,0,0,0,0|2,0,0]=4 1946 B7R0.7 CCNC(=O)NCC 2708a_100015525214_100015525214 [0,2,0,0,0,0|2,0,0]=4 1947 B7R0.7 CCNC(=O)NCC 273464a_100015525214_100015525214 [0,2,0,0,0,0|2,0,0]=4 1948 B7R0.7 CCNC(=O)NCC 512a_100015525214_100015525214 [0,2,0,0,0,0|2,0,0]=4 1949 B7R0.7 CCNC(=O)NNC 273464a_100015525214_100016993582 [0,2,0,0,0,0|2,0,0]=4 1950 B7R0.7 CCNC(=O)NNC 512a_100015525214_100016993582 [0,2,0,0,0,0|2,0,0]=4 1951 B7R0.7 CCNC(=O)NNC 512a_100016993582_100015525214 [0,2,0,0,0,0|2,0,0]=4 1952 B7R0.7 CCNC(C)CCO 2230a_100015525214_100009893172 [0,2,0,0,0,0|1,0,1]=4 1953 B7R0.7 CCN[C@H](C)CCO 2230a_100000706166_100000210202 [0,2,0,0,0,0|1,0,1]=4 1954 B7R0.7 CCN[C@H](C)CCO 34a_100000706166_100000210202 [0,2,0,0,0,0|1,0,1]=4 1955 B7R0.7 CCOC(=O)CNC 2230a_106832991635_100000188475 [0,2,0,0,0,0|2,0,0]=4 1956 B7R0.7 CCOC(=O)CNC 34a_100102657272_100000188475 [0,2,0,0,0,0|2,0,0]=4 1957 B7R0.7 CCOC(=O)CNC 7a_106832991635_100000188475 [0,2,0,0,0,0|2,0,0]=4 1958 B7R0.7 CCOC(=O)COC 34a_100138415774_100000188475 [0,2,0,0,0,0|2,0,0]=4 1959 B7R0.7 CCOC(=O)CSC 62a_100000188475_200000210301 [0,2,0,0,0,0|2,0,0]=4 1960 B7R0.7 CCOC(=O)CSC 62a_200000210301_100000188475 [0,2,0,0,0,0|2,0,0]=4 1961 B7R0.7 CCOC(=O)CS[13CH3] 62a_100000188475_200025704644 [0,2,0,0,0,0|2,0,0]=4 1962 B7R0.7 CCOC(=O)CS[13CH3] 62a_200025704644_100000188475 [0,2,0,0,0,0|2,0,0]=4 1963 B7R0.7 CCOC(C)CCO 34a_100121572206_100009893172 [0,2,0,0,0,0|0,0,2]=4 1964 B7R0.7 CCSC(C)CCO 62a_100000210202_100009893172 [0,2,0,0,0,0|0,1,1]=4 1965 B7R0.7 CCSC(C)CCO 62a_100009893172_100000210202 [0,2,0,0,0,0|0,1,1]=4 1966 B7R0.7 CN(CC#N)CCO 2230a_100000210263_100011215382 [0,2,0,0,0,0|2,0,0]=4 1967 B7R0.7 CN(CC#N)CCO 2230a_100000748184_100000211926 [0,2,0,0,0,0|2,0,0]=4 1968 B7R0.7 CN(CC#N)CCO 269982a_100000210263_100011214920 [0,2,0,0,0,0|2,0,0]=4 1969 B7R0.7 CN(CC=O)CCO 2230a_100000210263_200015260668 [0,2,0,0,0,0|1,0,0]=3 1970 B7R0.7 CN(CC=O)CCO 269982a_100000210263_200015260668 [0,2,0,0,0,0|1,0,0]=3 1971 B7R0.7 CN(CCO)CCF 2230a_100000210263_100011217306 [0,2,0,0,0,0|2,0,0]=4 1972 B7R0.7 CN(CCO)CCF 269982a_100000210263_100011217306 [0,2,0,0,0,0|2,0,0]=4 1973 B7R0.7 CN(CCO)CCO 2230a_100000210263_100000211926 [0,2,0,0,0,0|1,0,1]=4 1974 B7R0.7 CN(CCO)CCO 2230a_100000210587_200000210301 [0,2,0,0,0,0|1,0,1]=4 1975 B7R0.7 CN(CCO)CCO 269982a_100000210263_100000211926 [0,2,0,0,0,0|1,0,1]=4 1976 B7R0.7 CN(CCO)CCO 269982a_100000210587_200000210301 [0,2,0,0,0,0|1,0,1]=4 1977 B7R0.7 CNCC(=O)NCO 2230a_106832991635_100000185155 [0,2,0,0,0,0|1,0,0]=3 1978 B7R0.7 CNCC(=O)NCO 34a_100102657272_100000185155 [0,2,0,0,0,0|1,0,0]=3 1979 B7R0.7 CNCC(=O)NCO 7a_106832991635_100000185155 [0,2,0,0,0,0|1,0,0]=3 1980 B7R0.7 CNNC(=O)CC#N 22a_100016993582_100051588842 [0,2,0,0,0,0|1,0,1]=4 1981 B7R0.7 CNNC(=O)CCO 22a_100016993582_100011216618 [0,2,0,0,0,0|0,0,0]=2 1982 B7R0.7 CNNC(=O)COC 22a_100016993582_100000210968 [0,2,0,0,0,0|2,0,0]=4 1983 B7R0.7 CNNC(=O)CSC 22a_100016993582_100000184570 [0,2,0,0,0,0|2,0,0]=4 1984 B7R0.7 COCC(=O)CC#N 1458a_100000210968_100011214920 [0,2,0,0,0,0|1,0,1]=4 1985 B7R0.7 COCC(=O)CCF 1458a_100000210968_100011217306 [0,2,0,0,0,0|1,0,0]=3 1986 B7R0.7 COCC(=O)CCO 1458a_100000210968_100000211926 [0,2,0,0,0,0|0,0,0]=2 1987 B7R0.7 COCC(=O)NCO 34a_100138415774_100000185155 [0,2,0,0,0,0|1,0,0]=3 1988 B7R0.7 COCN(C)CCO 2230a_100000210263_100000766300 [0,2,0,0,0,0|1,0,1]=4 1989 B7R0.7 COCN(C)CCO 269982a_100000210263_100000766300 [0,2,0,0,0,0|1,0,1]=4 1990 B7R0.7 CSCC(=O)CC#N 1458a_100000184570_100011214920 [0,2,0,0,0,0|1,0,1]=4 1991 B7R0.7 CSCC(=O)CCF 1458a_100000184570_100011217306 [0,2,0,0,0,0|1,0,0]=3 1992 B7R0.7 CSCC(=O)CCO 1458a_100000184570_100000211926 [0,2,0,0,0,0|0,0,0]=2 1993 B7R0.7 CSCC(=O)NCO 62a_100000185155_200000210301 [0,2,0,0,0,0|1,0,0]=3 1994 B7R0.7 CSCC(=O)NCO 62a_200000210301_100000185155 [0,2,0,0,0,0|1,0,0]=3 1995 B7R0.7 CSCN(C)CCO 2230a_100000210263_100011218213 [0,2,0,0,0,0|1,1,0]=4 1996 B7R0.7 CSCN(C)CCO 269982a_100000210263_100011218213 [0,2,0,0,0,0|1,1,0]=4 1997 B7R0.7 C[C@H](CCO)NCF 34a_100000706166_100015361967 [0,2,0,0,0,0|1,0,1]=4 1998 B7R0.7 N#CCC(=O)CC#N 1458a_100051588842_100011214920 [0,2,0,0,0,0|1,0,1]=4 1999 B7R0.7 N#CCC(=O)CCF 1458a_100051588842_100011217306 [0,2,0,0,0,0|1,0,0]=3 2000 B7R0.7 N#CCC(=O)CCO 1458a_100011216618_100011214920 [0,2,0,0,0,0|0,0,0]=2 2001 B7R0.7 N#CCC(=O)CCO 1458a_100051588842_100000211926 [0,2,0,0,0,0|0,0,0]=2 2002 B7R0.7 O=C(C=CBr)CCF 1458a_100016273825_100011217306 [0,2,0,0,0,0|1,0,1]=4 2003 B7R0.7 O=C(C=CBr)CCO 1458a_100016273825_100000211926 [0,2,0,0,0,0|0,0,1]=3 2004 B7R0.7 O=C(C=CCl)CCF 1458a_200016279998_100011217306 [0,2,0,0,0,0|1,0,1]=4 2005 B7R0.7 O=C(C=CCl)CCO 1458a_200016279998_100000211926 [0,2,0,0,0,0|0,0,1]=3 2006 B7R0.7 O=C(C=CI)CCF 1458a_100016256311_100011217306 [0,2,0,0,0,0|1,0,1]=4 2007 B7R0.7 O=C(C=CI)CCO 1458a_100016256311_100000211926 [0,2,0,0,0,0|0,0,1]=3 2008 B7R0.7 O=C(CCO)CCF 1458a_100011216618_100011217306 [0,2,0,0,0,0|0,0,0]=2 2009 B7R0.7 O=C(CCO)CCO 1458a_100011216618_100000211926 [0,2,0,0,0,0|0,0,0]=2 2010 B7R0.7 [13CH3]N(CCO)CCO 2230a_100000210587_200025704644 [0,2,0,0,0,0|1,0,1]=4 2011 B7R0.7 [13CH3]N(CCO)CCO 269982a_100000210587_200025704644 [0,2,0,0,0,0|1,0,1]=4 2012 B7R0.7 [13CH3]SCC(=O)NCO 62a_100000185155_200025704644 [0,2,0,0,0,0|1,0,0]=3 2013 B7R0.7 [13CH3]SCC(=O)NCO 62a_200025704644_100000185155 [0,2,0,0,0,0|1,0,0]=3 2014 B7R0.10 C#CC(=O)C(C)CC 1458a_100000211873_100000758301 [0,2,0,0,0,0|1,0,1]=4 2015 B7R0.10 C#CC(C)C(=O)CC 1458a_100000210414_200000035995 [0,2,0,0,0,0|1,0,1]=4 2016 B7R0.10 C#CC(C)C(=O)CO 1458a_100000210174_200000035995 [0,2,0,0,0,0|1,0,1]=4 2017 B7R0.10 C=CC(=O)C(C)CC 1458a_100000185746_100000758301 [0,2,0,0,0,0|1,0,1]=4 2018 B7R0.10 C=CC(C)C(=O)CC 1458a_100011216780_100000210202 [0,2,0,0,0,0|1,0,1]=4 2019 B7R0.10 C=CC(C)C(=O)CF 1458a_100011216780_100015361967 [0,2,0,0,0,0|1,0,1]=4 2020 B7R0.10 C=CC(C)C(=O)NC 11a_106832991635_100011216780 [0,2,0,0,0,0|1,0,1]=4 2021 B7R0.10 C=CC(C)C(=O)NC 1626a_100102657272_100011216780 [0,2,0,0,0,0|1,0,1]=4 2022 B7R0.10 C=CC(C)C(=O)NC 240690a_100102657272_100011216780 [0,2,0,0,0,0|1,0,1]=4 2023 B7R0.10 C=CC(C)C(=O)NC 527a_100102657272_100011216780 [0,2,0,0,0,0|1,0,1]=4 2024 B7R0.10 CC(C#N)C(=O)CF 1458a_100000753662_100015361967 [0,2,0,0,0,0|1,0,1]=4 2025 B7R0.10 CC(C#N)C(=O)CO 1458a_100000210174_100000703298 [0,2,0,0,0,0|1,0,1]=4 2026 B7R0.10 CC(CO)N(C)CF 269982a_100000693034_100015361967 [0,2,0,0,0,0|2,0,0]=4 2027 B7R0.10 CCC(=O)C(=O)NC 1458a_100011218921_100000210202 [0,2,0,0,0,0|1,0,1]=4 2028 B7R0.10 CCC(=O)C(C)C#N 1458a_100000210414_100000703298 [0,2,0,0,0,0|1,0,1]=4 2029 B7R0.10 CCC(=O)C(C)C#N 1458a_100000753662_100000210202 [0,2,0,0,0,0|1,0,1]=4 2030 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [0,2,0,0,0,0|1,0,0]=3 2031 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [0,2,0,0,0,0|1,0,0]=3 2032 B7R0.10 CCC(=O)C(C)NC 2230a_106832991635_100000742827 [0,2,0,0,0,0|2,0,0]=4 2033 B7R0.10 CCC(=O)C(C)NC 7a_106832991635_100000742827 [0,2,0,0,0,0|2,0,0]=4 2034 B7R0.10 CCC(=O)C(C)OC 1458a_100000743197_100000210202 [0,2,0,0,0,0|2,0,0]=4 2035 B7R0.10 CCC(=O)C(C)SC 1458a_100000149566_100000210202 [0,2,0,0,0,0|2,0,0]=4 2036 B7R0.10 CCC(=O)C(C)SC 62a_100000742827_200000210301 [0,2,0,0,0,0|2,0,0]=4 2037 B7R0.10 CCC(=O)C(C)SC 62a_200000210301_100000742827 [0,2,0,0,0,0|2,0,0]=4 2038 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_100000742827_200025704644 [0,2,0,0,0,0|2,0,0]=4 2039 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_200025704644_100000742827 [0,2,0,0,0,0|2,0,0]=4 2040 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [0,2,0,0,0,0|1,0,0]=3 2041 B7R0.10 CCC(=O)C(O)CO 1458a_100011215603_100000210202 [0,2,0,0,0,0|0,0,0]=2 2042 B7R0.10 CCC(=O)N(C)CC 11a_100000225621_100000210414 [0,2,0,0,0,0|2,0,0]=4 2043 B7R0.10 CCC(=O)N(C)CC 1626a_100000225621_100000210414 [0,2,0,0,0,0|2,0,0]=4 2044 B7R0.10 CCC(=O)N(C)CC 240690a_100000225621_100000210414 [0,2,0,0,0,0|2,0,0]=4 2045 B7R0.10 CCC(=O)N(C)CC 527a_100000225621_100000210414 [0,2,0,0,0,0|2,0,0]=4 2046 B7R0.10 CCC(C)C(=O)CF 1458a_100011192722_100015361967 [0,2,0,0,0,0|1,0,0]=3 2047 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [0,2,0,0,0,0|1,0,0]=3 2048 B7R0.10 CCC(C)C(=O)NC 11a_106832991635_100011192722 [0,2,0,0,0,0|1,0,0]=3 2049 B7R0.10 CCC(C)C(=O)NC 1626a_100102657272_100011192722 [0,2,0,0,0,0|1,0,0]=3 2050 B7R0.10 CCC(C)C(=O)NC 240690a_100102657272_100011192722 [0,2,0,0,0,0|1,0,0]=3 2051 B7R0.10 CCC(C)C(=O)NC 527a_100102657272_100011192722 [0,2,0,0,0,0|1,0,0]=3 2052 B7R0.10 CCC(O)C(=O)CF 1458a_100011196387_100015361967 [0,2,0,0,0,0|1,0,0]=3 2053 B7R0.10 CCC(O)C(=O)NC 240690a_100102657272_100011196387 [0,2,0,0,0,0|1,0,0]=3 2054 B7R0.10 CCN(C)C(=O)CO 240690a_100000225621_100000210174 [0,2,0,0,0,0|2,0,0]=4 2055 B7R0.10 CCN(C)C(=O)CO 527a_100000225621_100000210174 [0,2,0,0,0,0|2,0,0]=4 2056 B7R0.10 CCN(C)C(=O)NC 2708a_100102657272_100000225621 [0,2,0,0,0,0|2,0,0]=4 2057 B7R0.10 CCN(C)C(=O)NC 273464a_100102657272_100000225621 [0,2,0,0,0,0|2,0,0]=4 2058 B7R0.10 CCN(C)C(C)CO 2230a_100000225621_100012180447 [0,2,0,0,0,0|2,0,0]=4 2059 B7R0.10 CCN(C)C(C)CO 2230a_100000693034_100000210202 [0,2,0,0,0,0|2,0,0]=4 2060 B7R0.10 CCN(C)C(C)CO 2230a_100000731049_200000210301 [0,2,0,0,0,0|2,0,0]=4 2061 B7R0.10 CCN(C)C(C)CO 269982a_100000693034_100000204670 [0,2,0,0,0,0|2,0,0]=4 2062 B7R0.10 CCN(C)C(C)CO 269982a_100000731049_200000210301 [0,2,0,0,0,0|2,0,0]=4 2063 B7R0.10 CCN(C)[C@H](C)CO 269982a_100000225621_100016084084 [0,2,0,0,0,0|2,0,0]=4 2064 B7R0.10 CCN([13CH3])C(C)CO 2230a_100000731049_200025704644 [0,2,0,0,0,0|2,0,0]=4 2065 B7R0.10 CCN([13CH3])C(C)CO 269982a_100000731049_200025704644 [0,2,0,0,0,0|2,0,0]=4 2066 B7R0.10 CNC(=O)C(=O)CF 1458a_100011218921_100015361967 [0,2,0,0,0,0|1,0,1]=4 2067 B7R0.10 CNC(=O)C(C)C#N 11a_106832991635_100000753662 [0,2,0,0,0,0|1,0,1]=4 2068 B7R0.10 CNC(=O)C(C)C#N 1626a_100102657272_100000753662 [0,2,0,0,0,0|1,0,1]=4 2069 B7R0.10 CNC(=O)C(C)C#N 240690a_100102657272_100000753662 [0,2,0,0,0,0|1,0,1]=4 2070 B7R0.10 CNC(=O)C(C)C#N 527a_100102657272_100000753662 [0,2,0,0,0,0|1,0,1]=4 2071 B7R0.10 CNC(=O)C(C)NC 2230a_106832991635_100000731044 [0,2,0,0,0,0|2,0,0]=4 2072 B7R0.10 CNC(=O)C(C)NC 34a_100102657272_100000731044 [0,2,0,0,0,0|2,0,0]=4 2073 B7R0.10 CNC(=O)C(C)NC 7a_106832991635_100000209862 [0,2,0,0,0,0|2,0,0]=4 2074 B7R0.10 CNC(=O)C(C)OC 11a_106832991635_100000743197 [0,2,0,0,0,0|2,0,0]=4 2075 B7R0.10 CNC(=O)C(C)OC 1626a_100102657272_100000743197 [0,2,0,0,0,0|2,0,0]=4 2076 B7R0.10 CNC(=O)C(C)OC 240690a_100102657272_100000743197 [0,2,0,0,0,0|2,0,0]=4 2077 B7R0.10 CNC(=O)C(C)OC 34a_100138415774_100000731044 [0,2,0,0,0,0|2,0,0]=4 2078 B7R0.10 CNC(=O)C(C)OC 527a_100102657272_100000743197 [0,2,0,0,0,0|2,0,0]=4 2079 B7R0.10 CNC(=O)C(C)SC 11a_106832991635_100000149566 [0,2,0,0,0,0|2,0,0]=4 2080 B7R0.10 CNC(=O)C(C)SC 1626a_100102657272_100000149566 [0,2,0,0,0,0|2,0,0]=4 2081 B7R0.10 CNC(=O)C(C)SC 240690a_100102657272_100000149566 [0,2,0,0,0,0|2,0,0]=4 2082 B7R0.10 CNC(=O)C(C)SC 527a_100102657272_100000149566 [0,2,0,0,0,0|2,0,0]=4 2083 B7R0.10 CNC(=O)C(C)SC 62a_100000209862_200000210301 [0,2,0,0,0,0|2,0,0]=4 2084 B7R0.10 CNC(=O)C(C)SC 62a_200000210301_100000731044 [0,2,0,0,0,0|2,0,0]=4 2085 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_100000209862_200025704644 [0,2,0,0,0,0|2,0,0]=4 2086 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_200025704644_100000731044 [0,2,0,0,0,0|2,0,0]=4 2087 B7R0.10 CNC(=O)C(F)NC 2230a_106832991635_100009813575 [0,2,0,0,0,0|2,0,0]=4 2088 B7R0.10 CNC(=O)C(F)NC 34a_100102657272_100009813575 [0,2,0,0,0,0|2,0,0]=4 2089 B7R0.10 CNC(=O)C(F)NC 7a_106832991635_100009813575 [0,2,0,0,0,0|2,0,0]=4 2090 B7R0.10 CNC(=O)C(F)OC 34a_100138415774_100009813575 [0,2,0,0,0,0|2,0,0]=4 2091 B7R0.10 CNC(=O)C(F)SC 62a_100009813575_200000210301 [0,2,0,0,0,0|2,0,0]=4 2092 B7R0.10 CNC(=O)C(F)SC 62a_200000210301_100009813575 [0,2,0,0,0,0|2,0,0]=4 2093 B7R0.10 CNC(=O)C(F)S[13CH3] 62a_100009813575_200025704644 [0,2,0,0,0,0|2,0,0]=4 2094 B7R0.10 CNC(=O)C(F)S[13CH3] 62a_200025704644_100009813575 [0,2,0,0,0,0|2,0,0]=4 2095 B7R0.10 CNC(=O)C(O)CO 240690a_100102657272_100011215603 [0,2,0,0,0,0|0,0,0]=2 2096 B7R0.10 CNC(=O)[C@@H](C)NC 2230a_100000684985_200000210301 [0,2,0,0,0,0|2,0,0]=4 2097 B7R0.10 CNC(=O)[C@@H](C)NC 34a_100000684985_200000210301 [0,2,0,0,0,0|2,0,0]=4 2098 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 2230a_100000684985_200025704644 [0,2,0,0,0,0|2,0,0]=4 2099 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 34a_100000684985_200025704644 [0,2,0,0,0,0|2,0,0]=4 2100 B7R0.10 CNC(C)C(=O)OC 2230a_106832991635_100000211248 [0,2,0,0,0,0|2,0,0]=4 2101 B7R0.10 CNC(C)C(=O)OC 34a_100102657272_100000211248 [0,2,0,0,0,0|2,0,0]=4 2102 B7R0.10 CNC(C)C(=O)OC 7a_106832991635_100000211248 [0,2,0,0,0,0|2,0,0]=4 2103 B7R0.10 COC(=O)C(C)OC 34a_100011215400_200000210301 [0,2,0,0,0,0|2,0,0]=4 2104 B7R0.10 COC(=O)C(C)OC 34a_100138415774_100000211248 [0,2,0,0,0,0|2,0,0]=4 2105 B7R0.10 COC(=O)C(C)O[13CH3] 34a_100011215400_200025704644 [0,2,0,0,0,0|2,0,0]=4 2106 B7R0.10 COC(=O)C(C)SC 62a_100000211248_200000210301 [0,2,0,0,0,0|2,0,0]=4 2107 B7R0.10 COC(=O)C(C)SC 62a_200000210301_100000211248 [0,2,0,0,0,0|2,0,0]=4 2108 B7R0.10 COC(=O)C(C)S[13CH3] 62a_100000211248_200025704644 [0,2,0,0,0,0|2,0,0]=4 2109 B7R0.10 COC(=O)C(C)S[13CH3] 62a_200025704644_100000211248 [0,2,0,0,0,0|2,0,0]=4 2110 B7R0.10 COC(C)C(=O)CF 1458a_100000743197_100015361967 [0,2,0,0,0,0|2,0,0]=4 2111 B7R0.10 CSC(C)C(=O)CF 1458a_100000149566_100015361967 [0,2,0,0,0,0|2,0,0]=4 2112 B7R0.10 O=C(CF)C(O)CO 1458a_100011215603_100015361967 [0,2,0,0,0,0|0,0,0]=2 2113 B7R0.11 CCCS(=O)(=O)NC 270084a_100102657272_100000211391 [0,2,0,0,0,0|2,0,0]=4 2114 B7R0.11 CCCS(=O)(=O)NC 274078a_100102657272_100000211391 [0,2,0,0,0,0|2,0,0]=4 2115 B7R0.11 CCCS(=O)(=O)NC 40a_100102657272_100000054278 [0,2,0,0,0,0|2,0,0]=4 2116 B7R0.11 CNS(=O)(=O)CCBr 270084a_100102657272_100000731045 [0,2,0,0,0,0|2,0,0]=4 2117 B7R0.11 CNS(=O)(=O)CCBr 274078a_100102657272_100000731045 [0,2,0,0,0,0|2,0,0]=4 2118 B7R0.11 CNS(=O)(=O)CCCl 270084a_100102657272_100000184613 [0,2,0,0,0,0|2,0,0]=4 2119 B7R0.11 CNS(=O)(=O)CCCl 274078a_100102657272_100000184613 [0,2,0,0,0,0|2,0,0]=4 2120 B7R0.12 CCN(CC)CCO 2230a_100000210973_100000210202 [0,2,0,0,0,0|2,0,0]=4 2121 B7R0.12 CCN(CC)CCO 2230a_100000724800_100000211926 [0,2,0,0,0,0|2,0,0]=4 2122 B7R0.12 CCN(CC)CCO 269956a_100000042499_100000211926 [0,2,0,0,0,0|2,0,0]=4 2123 B7R0.12 CCN(CC)CCO 269982a_100000210973_100000204670 [0,2,0,0,0,0|2,0,0]=4 2124 B7R0.12 CCN(CC)CCO 269982a_100000724800_100000211926 [0,2,0,0,0,0|2,0,0]=4 2125 B7R0.12 CCN(CF)CCO 269982a_100000210973_100015361967 [0,2,0,0,0,0|2,0,0]=4 2126 B7R0.9 CC(=O)CC(C)(C)C 1458a_100000211214_200000210301 [0,2,0,0,0,0|1,0,0]=3 2127 B7R0.9 CC(=O)CC(C)(C)O 1458a_100000693243_200000210301 [0,2,0,0,0,0|0,0,0]=2 2128 B7R0.9 CC(=O)CC(F)(F)F 1458a_100000245130_200000210301 [0,2,0,0,0,0|1,0,0]=3 2129 B7R0.9 CC(=O)CS(=O)(=O)C 1458a_100000744497_200000210301 [0,2,0,0,0,0|1,0,1]=4 2130 B7R0.9 CC(=O)CS(=O)(=O)N 1458a_100000070787_100000741382 [0,2,0,0,0,0|1,0,1]=4 2131 B7R0.9 CC(=O)CS(=O)(=O)[O-] 1458a_100000070787_100009817235 [0,2,0,0,0,0|1,0,1]=4 2132 B7R0.9 CC(=O)C[N+](C)(C)C 1458a_100000033712_200000210301 [0,2,0,0,0,0|2,0,0]=4 2133 B7R0.9 CC(=O)C[Si](C)(C)C 1458a_100000070787_100000233785 [0,2,0,0,0,0|1,1,0]=4 2134 B7R0.9 CC(=O)C[Si](C)(C)C 1458a_100011218504_200000210301 [0,2,0,0,0,0|1,1,0]=4 2135 B7R0.9 CC(=O)NC(C)(C)C 11a_100000715429_100015343762 [0,2,0,0,0,0|2,0,0]=4 2136 B7R0.9 CC(=O)NC(C)(C)C 1626a_100000715429_100015343762 [0,2,0,0,0,0|2,0,0]=4 2137 B7R0.9 CC(=O)NC(C)(C)C 240690a_100000715429_100015343762 [0,2,0,0,0,0|2,0,0]=4 2138 B7R0.9 CC(=O)NC(C)(C)C 527a_100000715429_100103153847 [0,2,0,0,0,0|2,0,0]=4 2139 B7R0.9 CC(C)(C)CC(=O)[13CH3] 1458a_100000211214_200025704644 [0,2,0,0,0,0|1,0,0]=3 2140 B7R0.9 CC(C)(O)CC(=O)[13CH3] 1458a_100000693243_200025704644 [0,2,0,0,0,0|0,0,0]=2 2141 B7R0.9 CN(C)CC(C)(C)O 2230a_100000755907_200000210301 [0,2,0,0,0,0|2,0,0]=4 2142 B7R0.9 CN(C)CC(C)(C)O 269982a_100000755907_200000210301 [0,2,0,0,0,0|2,0,0]=4 2143 B7R0.9 CN([13CH3])CC(C)(C)O 2230a_100000755907_200025704644 [0,2,0,0,0,0|2,0,0]=4 2144 B7R0.9 CN([13CH3])CC(C)(C)O 269982a_100000755907_200025704644 [0,2,0,0,0,0|2,0,0]=4 2145 B7R0.9 CS(=O)(=O)CC(=O)[13CH3] 1458a_100000744497_200025704644 [0,2,0,0,0,0|1,0,1]=4 2146 B7R0.9 C[N+](C)(C)CC(=O)[13CH3] 1458a_100000033712_200025704644 [0,2,0,0,0,0|2,0,0]=4 2147 B7R0.9 C[Si](C)(C)CC(=O)[13CH3] 1458a_100011218504_200025704644 [0,2,0,0,0,0|1,1,0]=4 2148 B7R0.9 [13CH3]C(=O)CC(F)(F)F 1458a_100000245130_200025704644 [0,2,0,0,0,0|1,0,0]=3 2149 B7R0.16 CC(=O)C(C)C(=O)C 1458a_100000070787_100000179758 [0,2,0,0,0,0|0,0,2]=4 2150 B7R0.16 CC(=O)C(C)C(=O)N 1458a_100000070787_100000702099 [0,2,0,0,0,0|0,0,2]=4 2151 B7R0.16 CC(=O)C(C)C(C)C 1458a_100000755409_200000210301 [0,2,0,0,0,0|1,0,0]=3 2152 B7R0.16 CC(=O)C(C)N(C)C 2230a_100102631434_100009814033 [0,2,0,0,0,0|2,0,0]=4 2153 B7R0.16 CC(=O)C(C)N(C)C 269982a_100102631434_100009814033 [0,2,0,0,0,0|2,0,0]=4 2154 B7R0.16 CC(=O)C(F)C(=O)N 1458a_100000070787_100009813875 [0,2,0,0,0,0|0,0,2]=4 2155 B7R0.16 CC(=O)C(F)C(=O)[O-] 1458a_100000070787_100020610796 [0,2,0,0,0,0|0,0,2]=4 2156 B7R0.16 CC(=O)N(C)C(C)C 11a_200000211004_100015343762 [0,2,0,0,0,0|2,0,0]=4 2157 B7R0.16 CC(=O)N(C)C(C)C 1626a_200000211004_100015343762 [0,2,0,0,0,0|2,0,0]=4 2158 B7R0.16 CC(=O)N(C)C(C)C 240690a_200000211004_100015343762 [0,2,0,0,0,0|2,0,0]=4 2159 B7R0.16 CC(=O)N(C)C(C)C 527a_200000211004_100103153847 [0,2,0,0,0,0|2,0,0]=4 2160 B7R0.16 CC(=O)[C@H](C)N(C)C 1458a_100009822176_200000210301 [0,2,0,0,0,0|2,0,0]=4 2161 B7R0.16 CC(=O)[C@H](O)C(C)C 1458a_100000691806_200000210301 [0,2,0,0,0,0|1,0,0]=3 2162 B7R0.16 CC(C)C(C)C(=O)[13CH3] 1458a_100000755409_200025704644 [0,2,0,0,0,0|1,0,0]=3 2163 B7R0.16 CC(C)[C@@H](O)C(=O)[13CH3] 1458a_100000691806_200025704644 [0,2,0,0,0,0|1,0,0]=3 2164 B7R0.16 C[C@@H](C(=O)[13CH3])N(C)C 1458a_100009822176_200025704644 [0,2,0,0,0,0|2,0,0]=4 2165 B7R0.13 C#CC(C)(C)C(=O)C 1458a_100000070787_100000038118 [0,2,0,0,0,0|1,0,1]=4 2166 B7R0.13 C#CC(C)(C)C(=O)C 1458a_100000079900_200000210301 [0,2,0,0,0,0|1,0,1]=4 2167 B7R0.13 C#CC(C)(C)C(=O)[13CH3] 1458a_100000079900_200025704644 [0,2,0,0,0,0|1,0,1]=4 2168 B7R0.13 C=CC(C)(C)C(=O)C 1458a_100012027013_200000210301 [0,2,0,0,0,0|1,0,1]=4 2169 B7R0.13 C=CC(C)(C)C(=O)[13CH3] 1458a_100012027013_200025704644 [0,2,0,0,0,0|1,0,1]=4 2170 B7R0.13 CC(=O)C(C)(C)C#N 1458a_100000740761_200000210301 [0,2,0,0,0,0|1,0,1]=4 2171 B7R0.13 CC(=O)C(C)(C)CF 1458a_100000138116_200000210301 [0,2,0,0,0,0|1,0,0]=3 2172 B7R0.13 CC(=O)C(C)(C)CO 1458a_100000749806_200000210301 [0,2,0,0,0,0|0,0,0]=2 2173 B7R0.13 CC(=O)C(C)(C)O[13CH3] 34a_100000747739_200025704644 [0,2,0,0,0,0|2,0,0]=4 2174 B7R0.13 CC(=O)C(C)(C)O[13CH3] 7a_100000747739_200025704644 [0,2,0,0,0,0|2,0,0]=4 2175 B7R0.13 CC(=O)C(C)(C)S[13CH3] 62a_100000075568_200025704644 [0,2,0,0,0,0|2,0,0]=4 2176 B7R0.13 CC(=O)C(C)(C)S[13CH3] 62a_200025704644_100000075568 [0,2,0,0,0,0|2,0,0]=4 2177 B7R0.13 CC(C)(C#N)C(=O)[13CH3] 1458a_100000740761_200025704644 [0,2,0,0,0,0|1,0,1]=4 2178 B7R0.13 CC(C)(CF)C(=O)[13CH3] 1458a_100000138116_200025704644 [0,2,0,0,0,0|1,0,0]=3 2179 B7R0.13 CC(C)(CO)C(=O)[13CH3] 1458a_100000749806_200025704644 [0,2,0,0,0,0|0,0,0]=2 2180 B7R0.13 CCC(C)(C)C(=O)C 1458a_100000749717_200000210301 [0,2,0,0,0,0|1,0,0]=3 2181 B7R0.13 CCC(C)(C)C(=O)[13CH3] 1458a_100000749717_200025704644 [0,2,0,0,0,0|1,0,0]=3 2182 B7R0.13 CCC(C)(O)C(=O)C 1458a_100011219770_200000210301 [0,2,0,0,0,0|1,0,0]=3 2183 B7R0.13 CCC(C)(O)C(=O)[13CH3] 1458a_100011219770_200025704644 [0,2,0,0,0,0|1,0,0]=3 2184 B7R0.13 CCC(F)(F)C(=O)C 1458a_100000061896_200000210301 [0,2,0,0,0,0|1,0,0]=3 2185 B7R0.13 CCC(F)(F)C(=O)[13CH3] 1458a_100000061896_200025704644 [0,2,0,0,0,0|1,0,0]=3 2186 B7R0.13 CN(C)C(C)(C)CO 269982a_100015204102_200000210301 [0,2,0,0,0,0|2,0,0]=4 2187 B7R0.13 CN([13CH3])C(C)(C)CO 269982a_100015204102_200025704644 [0,2,0,0,0,0|2,0,0]=4 2188 B7R0.13 CNC(C)(C)C(=O)C 7a_106832991635_100000075568 [0,2,0,0,0,0|2,0,0]=4 2189 B7R0.13 COC(C)(C)C(=O)C 1458a_100000753492_200000210301 [0,2,0,0,0,0|2,0,0]=4 2190 B7R0.13 COC(C)(C)C(=O)C 34a_100000747739_200000210301 [0,2,0,0,0,0|2,0,0]=4 2191 B7R0.13 COC(C)(C)C(=O)C 7a_100000747739_200000210301 [0,2,0,0,0,0|2,0,0]=4 2192 B7R0.13 COC(C)(C)C(=O)[13CH3] 1458a_100000753492_200025704644 [0,2,0,0,0,0|2,0,0]=4 2193 B7R0.13 CSC(C)(C)C(=O)C 62a_100000075568_200000210301 [0,2,0,0,0,0|2,0,0]=4 2194 B7R0.13 CSC(C)(C)C(=O)C 62a_200000210301_100000075568 [0,2,0,0,0,0|2,0,0]=4 2195 B7R0.15 CC(C)[C@H](CO)N[13CH3] 2230a_100011830312_200025704644 [0,2,0,0,0,0|1,0,1]=4 2196 B7R0.15 CC(C)[C@H](CO)N[13CH3] 34a_100011830312_200025704644 [0,2,0,0,0,0|1,0,1]=4 2197 B7R0.15 CCC(CC)C(=O)C 1458a_100000070787_100000210505 [0,2,0,0,0,0|1,0,0]=3 2198 B7R0.15 CCC(CC)C(=O)C 1458a_100000211163_200000210301 [0,2,0,0,0,0|1,0,0]=3 2199 B7R0.15 CCC(CC)C(=O)[13CH3] 1458a_100000211163_200025704644 [0,2,0,0,0,0|1,0,0]=3 2200 B7R0.15 CCC(NC)C(=O)N 2230a_100000733705_200000210301 [0,2,0,0,0,0|2,0,0]=4 2201 B7R0.15 CCC(NC)C(=O)N 2230a_106832991635_100000750255 [0,2,0,0,0,0|2,0,0]=4 2202 B7R0.15 CCC(NC)C(=O)N 34a_100000733705_200000210301 [0,2,0,0,0,0|2,0,0]=4 2203 B7R0.15 CCC(NC)C(=O)N 34a_100102657272_100000750255 [0,2,0,0,0,0|2,0,0]=4 2204 B7R0.15 CCC(NC)C(=O)N 7a_106832991635_100000750255 [0,2,0,0,0,0|2,0,0]=4 2205 B7R0.15 CCC(N[13CH3])C(=O)N 2230a_100000733705_200025704644 [0,2,0,0,0,0|2,0,0]=4 2206 B7R0.15 CCC(N[13CH3])C(=O)N 34a_100000733705_200025704644 [0,2,0,0,0,0|2,0,0]=4 2207 B7R0.15 CCC(OC)C(=O)C 1458a_100000747056_200000210301 [0,2,0,0,0,0|1,0,0]=3 2208 B7R0.15 CCC(OC)C(=O)N 34a_100138415774_100000750255 [0,2,0,0,0,0|2,0,0]=4 2209 B7R0.15 CCC(OC)C(=O)[13CH3] 1458a_100000747056_200025704644 [0,2,0,0,0,0|1,0,0]=3 2210 B7R0.15 CCC(SC)C(=O)N 62a_100000750255_200000210301 [0,2,0,0,0,0|2,0,0]=4 2211 B7R0.15 CCC(SC)C(=O)N 62a_200000210301_100000750255 [0,2,0,0,0,0|2,0,0]=4 2212 B7R0.15 CCC(S[13CH3])C(=O)N 62a_100000750255_200025704644 [0,2,0,0,0,0|2,0,0]=4 2213 B7R0.15 CCC(S[13CH3])C(=O)N 62a_200025704644_100000750255 [0,2,0,0,0,0|2,0,0]=4 2214 B7R0.15 CCN(CC)C(=O)C 11a_100000724800_100015343762 [0,2,0,0,0,0|2,0,0]=4 2215 B7R0.15 CCN(CC)C(=O)C 1626a_100000724800_100015343762 [0,2,0,0,0,0|2,0,0]=4 2216 B7R0.15 CCN(CC)C(=O)C 240690a_100000724800_100015343762 [0,2,0,0,0,0|2,0,0]=4 2217 B7R0.15 CCN(CC)C(=O)C 527a_100000724800_100103153847 [0,2,0,0,0,0|2,0,0]=4 2218 B7R0.15 CC[C@@H](NC)C(=O)O 269956a_100000747097_200000210301 [0,2,0,0,0,0|2,0,0]=4 2219 B7R0.15 CC[C@@H](N[13CH3])C(=O)O 269956a_100000747097_200025704644 [0,2,0,0,0,0|2,0,0]=4 2220 B7R0.15 CNC(CO)C(=O)O 269956a_100000187304_200000210301 [0,2,0,0,0,0|1,0,0]=3 2221 B7R0.15 CN[C@@H](CO)C(=O)N 2230a_100000729942_200000210301 [0,2,0,0,0,0|1,0,0]=3 2222 B7R0.15 CN[C@@H](CO)C(=O)N 34a_100000729942_200000210301 [0,2,0,0,0,0|1,0,0]=3 2223 B7R0.15 CN[C@@H](CO)C(C)C 2230a_100011830312_200000210301 [0,2,0,0,0,0|1,0,1]=4 2224 B7R0.15 CN[C@@H](CO)C(C)C 34a_100011830312_200000210301 [0,2,0,0,0,0|1,0,1]=4 2225 B7R0.15 CN[C@H](CO)[C@@H](C)O 2230a_100015196842_200000210301 [0,2,0,0,0,0|0,0,2]=4 2226 B7R0.15 CN[C@H](CO)[C@@H](C)O 34a_100015196842_200000210301 [0,2,0,0,0,0|0,0,2]=4 2227 B7R0.15 COC(OC)C(=O)C 1458a_100000046285_200000210301 [0,2,0,0,0,0|2,0,0]=4 2228 B7R0.15 COC(OC)C(=O)[13CH3] 1458a_100000046285_200025704644 [0,2,0,0,0,0|2,0,0]=4 2229 B7R0.15 C[C@@H](O)[C@@H](CO)N[13CH3] 2230a_100015196842_200025704644 [0,2,0,0,0,0|0,0,2]=4 2230 B7R0.15 C[C@@H](O)[C@@H](CO)N[13CH3] 34a_100015196842_200025704644 [0,2,0,0,0,0|0,0,2]=4 2231 B7R0.15 [13CH3]NC(CO)C(=O)O 269956a_100000187304_200025704644 [0,2,0,0,0,0|1,0,0]=3 2232 B7R0.15 [13CH3]N[C@@H](CO)C(=O)N 2230a_100000729942_200025704644 [0,2,0,0,0,0|1,0,0]=3 2233 B7R0.15 [13CH3]N[C@@H](CO)C(=O)N 34a_100000729942_200025704644 [0,2,0,0,0,0|1,0,0]=3 2234 B7R0.4 C#CCCCC(=O)C 1458a_100000070787_100000731252 [0,2,0,0,0,0|1,0,0]=3 2235 B7R0.4 C#CCCCC(=O)C 1458a_100000690238_200000210301 [0,2,0,0,0,0|1,0,0]=3 2236 B7R0.4 C#CCCCC(=O)[13CH3] 1458a_100000690238_200025704644 [0,2,0,0,0,0|1,0,0]=3 2237 B7R0.4 C#CCCNC(=O)C 11a_100000755551_100015343762 [0,2,0,0,0,0|1,0,0]=3 2238 B7R0.4 C#CCCNC(=O)C 1626a_100000755551_100015343762 [0,2,0,0,0,0|1,0,0]=3 2239 B7R0.4 C#CCCNC(=O)C 240690a_100000755551_100015343762 [0,2,0,0,0,0|1,0,0]=3 2240 B7R0.4 C#CCCNC(=O)C 527a_100000755551_100103153847 [0,2,0,0,0,0|1,0,0]=3 2241 B7R0.4 C#CCNCC(=C)C 34a_100000212058_100000748629 [0,2,0,0,0,0|2,0,0]=4 2242 B7R0.4 C#CCNCC(=O)N 2230a_100000711301_100000038162 [0,2,0,0,0,0|2,0,0]=4 2243 B7R0.4 C#CCNCC(=O)N 34a_100000212058_100000187820 [0,2,0,0,0,0|2,0,0]=4 2244 B7R0.4 C#CCNCC(=O)O 269956a_100016091260_100000184674 [0,2,0,0,0,0|2,0,0]=4 2245 B7R0.4 C#CCNCC(=O)[O-] 34a_100000212058_100020667443 [0,2,0,0,0,0|2,0,0]=4 2246 B7R0.4 C#CCOCC(=C)C 34a_100000210245_100000184674 [0,2,0,0,0,0|2,0,0]=4 2247 B7R0.4 C#CCOCC(=C)C 34a_100000210247_100000748629 [0,2,0,0,0,0|2,0,0]=4 2248 B7R0.4 C#CCOCC(=O)C 1458a_100011251226_200000210301 [0,2,0,0,0,0|1,0,0]=3 2249 B7R0.4 C#CCOCC(=O)C 34a_100000211253_100000184674 [0,2,0,0,0,0|1,0,0]=3 2250 B7R0.4 C#CCOCC(=O)N 34a_100000210247_100000187820 [0,2,0,0,0,0|2,0,0]=4 2251 B7R0.4 C#CCOCC(=O)[13CH3] 1458a_100011251226_200025704644 [0,2,0,0,0,0|1,0,0]=3 2252 B7R0.4 C#CCOCC(=O)[O-] 34a_100000210247_100020667443 [0,2,0,0,0,0|2,0,0]=4 2253 B7R0.4 C#CCSCC(=C)C 62a_100000038162_100000211660 [0,2,0,0,0,0|2,0,0]=4 2254 B7R0.4 C#CCSCC(=O)N 62a_100000038162_100000747473 [0,2,0,0,0,0|2,0,0]=4 2255 B7R0.4 C#CCSCC(=O)[O-] 62a_100000038162_100020667443 [0,2,0,0,0,0|2,0,0]=4 2256 B7R0.4 C=C(Br)CCOCC 34a_100009813270_100000210202 [0,2,0,0,0,0|1,0,1]=4 2257 B7R0.4 C=C(Br)CCOCF 34a_100009813270_100015361967 [0,2,0,0,0,0|1,0,1]=4 2258 B7R0.4 C=C(C)CCNCC 2230a_100015525214_100000730704 [0,2,0,0,0,0|2,0,0]=4 2259 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [0,2,0,0,0,0|1,0,0]=3 2260 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [0,2,0,0,0,0|1,0,0]=3 2261 B7R0.4 C=C(C)CCOCF 34a_100000764851_100015361967 [0,2,0,0,0,0|1,0,0]=3 2262 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [0,2,0,0,0,0|1,1,0]=4 2263 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [0,2,0,0,0,0|1,1,0]=4 2264 B7R0.4 C=C(C)CCSCF 62a_100000730704_100015361967 [0,2,0,0,0,0|1,1,0]=4 2265 B7R0.4 C=C(C)CCSCF 62a_100015361967_100000730704 [0,2,0,0,0,0|1,1,0]=4 2266 B7R0.4 C=C(C)CNCCF 34a_100000724931_100000748629 [0,2,0,0,0,0|2,0,0]=4 2267 B7R0.4 C=C(C)CNCCO 2230a_100016997473_100000748629 [0,2,0,0,0,0|1,0,0]=3 2268 B7R0.4 C=C(C)CNCCO 34a_100016990907_100000748629 [0,2,0,0,0,0|1,0,0]=3 2269 B7R0.4 C=C(C)COCC=O 34a_100000210245_200009817547 [0,2,0,0,0,0|1,0,1]=4 2270 B7R0.4 C=C(C)COCCBr 34a_100000211926_100000748629 [0,2,0,0,0,0|2,0,0]=4 2271 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [0,2,0,0,0,0|2,0,0]=4 2272 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [0,2,0,0,0,0|2,0,0]=4 2273 B7R0.4 C=C(C)COCCF 34a_100000210245_100011217306 [0,2,0,0,0,0|2,0,0]=4 2274 B7R0.4 C=C(C)COCCN 34a_100000210304_100000748629 [0,2,0,0,0,0|2,0,0]=4 2275 B7R0.4 C=C(C)COCCO 34a_100000210245_100000211926 [0,2,0,0,0,0|1,0,0]=3 2276 B7R0.4 C=C(C)COCSC 34a_100000210245_100011218213 [0,2,0,0,0,0|1,1,0]=4 2277 B7R0.4 C=C(C)CSCC#N 62a_100000748629_100011215382 [0,2,0,0,0,0|2,0,0]=4 2278 B7R0.4 C=C(C)CSCC#N 62a_100011215382_100000211660 [0,2,0,0,0,0|2,0,0]=4 2279 B7R0.4 C=C(C)CSCC=O 62a_100000748629_200015260668 [0,2,0,0,0,0|1,0,1]=4 2280 B7R0.4 C=C(C)CSCC=O 62a_200015260668_100000211660 [0,2,0,0,0,0|1,0,1]=4 2281 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [0,2,0,0,0,0|2,0,0]=4 2282 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [0,2,0,0,0,0|2,0,0]=4 2283 B7R0.4 C=C(C)CSCCF 62a_100000748629_100011217306 [0,2,0,0,0,0|2,0,0]=4 2284 B7R0.4 C=C(C)CSCCF 62a_100011217306_100000211660 [0,2,0,0,0,0|2,0,0]=4 2285 B7R0.4 C=C(C)CSCCO 62a_100000211926_100000211660 [0,2,0,0,0,0|1,0,0]=3 2286 B7R0.4 C=C(C)CSCCO 62a_100000748629_100000211926 [0,2,0,0,0,0|1,0,0]=3 2287 B7R0.4 C=C(C)CSCOC 62a_100000748629_100000766300 [0,2,0,0,0,0|1,0,0]=3 2288 B7R0.4 C=C(C)CSCOC 62a_100000766300_100000211660 [0,2,0,0,0,0|1,0,0]=3 2289 B7R0.4 C=C(C)CSCSC 62a_100000748629_100011218213 [0,2,0,0,0,0|1,1,0]=4 2290 B7R0.4 C=C(C)CSCSC 62a_100011218213_100000211660 [0,2,0,0,0,0|1,1,0]=4 2291 B7R0.4 C=C(F)CNCCO 2230a_100016997473_100009893438 [0,2,0,0,0,0|1,0,1]=4 2292 B7R0.4 C=C(F)CNCCO 34a_100016990907_100009893438 [0,2,0,0,0,0|1,0,1]=4 2293 B7R0.4 C=C(F)COCCO 34a_200010262243_100000211926 [0,2,0,0,0,0|1,0,1]=4 2294 B7R0.4 C=C(F)CSCCO 62a_100000042424_100000211926 [0,2,0,0,0,0|1,0,1]=4 2295 B7R0.4 C=C(F)CSCCO 62a_100000211926_100000042424 [0,2,0,0,0,0|1,0,1]=4 2296 B7R0.4 C=C(F)CSCOC 62a_100000042424_100000766300 [0,2,0,0,0,0|1,0,1]=4 2297 B7R0.4 C=C(F)CSCOC 62a_100000766300_100000042424 [0,2,0,0,0,0|1,0,1]=4 2298 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [0,2,0,0,0,0|1,0,0]=3 2299 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [0,2,0,0,0,0|1,0,0]=3 2300 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [0,2,0,0,0,0|1,0,0]=3 2301 B7R0.4 C=CCCNC(=O)C 11a_100015191253_100015343762 [0,2,0,0,0,0|1,0,0]=3 2302 B7R0.4 C=CCCNC(=O)C 1626a_100015191253_100015343762 [0,2,0,0,0,0|1,0,0]=3 2303 B7R0.4 C=CCCNC(=O)C 240690a_100015191253_100015343762 [0,2,0,0,0,0|1,0,0]=3 2304 B7R0.4 C=CCCNC(=O)C 527a_100015191253_100103153847 [0,2,0,0,0,0|1,0,0]=3 2305 B7R0.4 C=CCNCC(=C)C 2230a_100020586998_100000748629 [0,2,0,0,0,0|2,0,0]=4 2306 B7R0.4 C=CCNCC(=O)N 2230a_100000711301_100000210623 [0,2,0,0,0,0|2,0,0]=4 2307 B7R0.4 C=CCNCC(=O)N 2230a_100020586998_100000747473 [0,2,0,0,0,0|2,0,0]=4 2308 B7R0.4 C=CCNCC(=O)O 269956a_100016091260_100000210623 [0,2,0,0,0,0|2,0,0]=4 2309 B7R0.4 C=CCNNC(=O)C 22a_100020588587_100000070787 [0,2,0,0,0,0|1,0,1]=4 2310 B7R0.4 C=CCOCC(=C)C 34a_100000210245_100015514636 [0,2,0,0,0,0|2,0,0]=4 2311 B7R0.4 C=CCOCC(=C)C 34a_200000210373_100000748629 [0,2,0,0,0,0|2,0,0]=4 2312 B7R0.4 C=CCOCC(=O)C 34a_100000211253_100015514636 [0,2,0,0,0,0|1,0,0]=3 2313 B7R0.4 C=CCOCC(=O)N 34a_200000210373_100000187820 [0,2,0,0,0,0|2,0,0]=4 2314 B7R0.4 C=CCOCC(=O)[O-] 34a_200000210373_100020667443 [0,2,0,0,0,0|2,0,0]=4 2315 B7R0.4 C=CCSCC(=C)C 62a_100000210623_100000211660 [0,2,0,0,0,0|2,0,0]=4 2316 B7R0.4 C=CCSCC(=C)C 62a_100000748629_100000210623 [0,2,0,0,0,0|2,0,0]=4 2317 B7R0.4 C=CCSCC(=O)C 1458a_100000230395_200000210301 [0,2,0,0,0,0|1,0,0]=3 2318 B7R0.4 C=CCSCC(=O)N 62a_100000210623_100000747473 [0,2,0,0,0,0|2,0,0]=4 2319 B7R0.4 C=CCSCC(=O)N 62a_100000747473_100000210623 [0,2,0,0,0,0|2,0,0]=4 2320 B7R0.4 C=CCSCC(=O)[13CH3] 1458a_100000230395_200025704644 [0,2,0,0,0,0|1,0,0]=3 2321 B7R0.4 C=CCSCC(=O)[O-] 62a_100000210623_100020667443 [0,2,0,0,0,0|2,0,0]=4 2322 B7R0.4 C=CCSCC(=O)[O-] 62a_100020667443_100000210623 [0,2,0,0,0,0|2,0,0]=4 2323 B7R0.4 C=COCCC(=O)C 1458a_100000070787_100000039644 [0,2,0,0,0,0|0,0,0]=2 2324 B7R0.4 C=COCCN(C)C 2230a_100102631434_100000039644 [0,2,0,0,0,0|2,0,0]=4 2325 B7R0.4 C=COCCN(C)C 269982a_100102631434_100000039644 [0,2,0,0,0,0|2,0,0]=4 2326 B7R0.4 CC#CCNC(=O)C 11a_100000685387_100015343762 [0,2,0,0,0,0|1,0,1]=4 2327 B7R0.4 CC#CCNC(=O)C 1626a_100000685387_100015343762 [0,2,0,0,0,0|1,0,1]=4 2328 B7R0.4 CC#CCNC(=O)C 527a_100000685387_100103153847 [0,2,0,0,0,0|1,0,1]=4 2329 B7R0.4 CC(=CCCS[13CH3])C 62a_100011217483_200025704644 [0,2,0,0,0,0|1,1,0]=4 2330 B7R0.4 CC(=CCCS[13CH3])C 62a_200025704644_100011217483 [0,2,0,0,0,0|1,1,0]=4 2331 B7R0.4 CC(=CCNCF)C 34a_100000718196_100015361967 [0,2,0,0,0,0|2,0,0]=4 2332 B7R0.4 CC(=CCOCF)C 34a_100000753907_100015361967 [0,2,0,0,0,0|1,0,1]=4 2333 B7R0.4 CC(=CCSCF)C 62a_100000761012_100015361967 [0,2,0,0,0,0|2,0,0]=4 2334 B7R0.4 CC(=CCSCF)C 62a_100015361967_100000761012 [0,2,0,0,0,0|2,0,0]=4 2335 B7R0.4 CC(=O)CC#CCO 1458a_100000070787_200000047223 [0,2,0,0,0,0|0,0,0]=2 2336 B7R0.4 CC(=O)CCCC#N 1458a_100000070787_100000211468 [0,2,0,0,0,0|1,0,0]=3 2337 B7R0.4 CC(=O)CCCC#N 1458a_100000075515_200000210301 [0,2,0,0,0,0|1,0,0]=3 2338 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [0,2,0,0,0,0|1,0,0]=3 2339 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [0,2,0,0,0,0|0,0,0]=2 2340 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [0,2,0,0,0,0|0,0,0]=2 2341 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [0,2,0,0,0,0|0,0,0]=2 2342 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [0,2,0,0,0,0|0,0,0]=2 2343 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [0,2,0,0,0,0|0,1,0]=3 2344 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [0,2,0,0,0,0|0,1,0]=3 2345 B7R0.4 CC(=O)CCN=[N+]=[N-] 1458a_100000688302_200000210301 [0,2,0,0,0,0|1,0,0]=3 2346 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [0,2,0,0,0,0|0,0,0]=2 2347 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [0,2,0,0,0,0|0,0,0]=2 2348 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [0,2,0,0,0,0|0,1,0]=3 2349 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [0,2,0,0,0,0|0,1,0]=3 2350 B7R0.4 CC(=O)COCC=O 34a_100000211253_200009817547 [0,2,0,0,0,0|0,0,1]=3 2351 B7R0.4 CC(=O)COCCF 34a_100000211253_100011217306 [0,2,0,0,0,0|1,0,0]=3 2352 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [0,2,0,0,0,0|0,0,0]=2 2353 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [0,2,0,0,0,0|0,0,0]=2 2354 B7R0.4 CC(=O)CSCC#N 1458a_100000150266_200000210301 [0,2,0,0,0,0|1,0,0]=3 2355 B7R0.4 CC(=O)NCCC#N 11a_100000720768_100015343762 [0,2,0,0,0,0|1,0,0]=3 2356 B7R0.4 CC(=O)NCCC#N 1626a_100000720768_100015343762 [0,2,0,0,0,0|1,0,0]=3 2357 B7R0.4 CC(=O)NCCC#N 240690a_100000720768_100015343762 [0,2,0,0,0,0|1,0,0]=3 2358 B7R0.4 CC(=O)NCCC#N 527a_100000720768_100103153847 [0,2,0,0,0,0|1,0,0]=3 2359 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [0,2,0,0,0,0|1,0,0]=3 2360 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [0,2,0,0,0,0|1,0,0]=3 2361 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [0,2,0,0,0,0|1,0,0]=3 2362 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [0,2,0,0,0,0|1,0,0]=3 2363 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [0,2,0,0,0,0|0,0,0]=2 2364 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [0,2,0,0,0,0|0,0,0]=2 2365 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [0,2,0,0,0,0|1,0,0]=3 2366 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [0,2,0,0,0,0|0,0,0]=2 2367 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [0,2,0,0,0,0|0,1,0]=3 2368 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [0,2,0,0,0,0|0,1,0]=3 2369 B7R0.4 CC(=O)NNCCO 22a_100000210001_100000070787 [0,2,0,0,0,0|0,0,0]=2 2370 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [0,2,0,0,0,0|0,1,0]=3 2371 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [0,2,0,0,0,0|0,1,0]=3 2372 B7R0.4 CC(=O)OCSCF 62a_100000076356_100015361967 [0,2,0,0,0,0|1,0,0]=3 2373 B7R0.4 CC(=O)OCSCF 62a_100015361967_100000076356 [0,2,0,0,0,0|1,0,0]=3 2374 B7R0.4 CC(Br)CCOCF 34a_100009893172_100015361967 [0,2,0,0,0,0|1,0,1]=4 2375 B7R0.4 CC(Br)COCCO 34a_100012180447_100000211926 [0,2,0,0,0,0|1,0,1]=4 2376 B7R0.4 CC(C)CCCO[13CH3] 34a_100000210774_200025704644 [0,2,0,0,0,0|1,0,1]=4 2377 B7R0.4 CC(C)CCCO[13CH3] 7a_100000210774_200025704644 [0,2,0,0,0,0|1,0,1]=4 2378 B7R0.4 CC(C)CCOCF 34a_100000210254_100015361967 [0,2,0,0,0,0|1,0,1]=4 2379 B7R0.4 CC(C)CCOCF 7a_100000210254_100015361967 [0,2,0,0,0,0|1,0,1]=4 2380 B7R0.4 CC(C)CNCCO 2230a_100000210953_100000211926 [0,2,0,0,0,0|1,0,1]=4 2381 B7R0.4 CC(C)CNCCO 2230a_100016997473_100000210760 [0,2,0,0,0,0|1,0,1]=4 2382 B7R0.4 CC(C)CNCCO 270004a_100000210304_100000210432 [0,2,0,0,0,0|1,0,1]=4 2383 B7R0.4 CC(C)CNCCO 34a_100000210953_100000211926 [0,2,0,0,0,0|1,0,1]=4 2384 B7R0.4 CC(C)CNCCO 34a_100016990907_100000210624 [0,2,0,0,0,0|1,0,1]=4 2385 B7R0.4 CC(C)COCCO 34a_100000210257_100000211926 [0,2,0,0,0,0|1,0,1]=4 2386 B7R0.4 CC(C)CSCCO 62a_100000210624_100000211926 [0,2,0,0,0,0|1,0,1]=4 2387 B7R0.4 CC(C)CSCCO 62a_100000211926_100000210760 [0,2,0,0,0,0|1,0,1]=4 2388 B7R0.4 CC(C)NCCCO 2230a_100138425928_100000230001 [0,2,0,0,0,0|1,0,1]=4 2389 B7R0.4 CC(C)NCCCO 34a_100138425928_100000230001 [0,2,0,0,0,0|1,0,1]=4 2390 B7R0.4 CC(C)NCCO[13CH3] 34a_100000224655_200025704644 [0,2,0,0,0,0|1,0,1]=4 2391 B7R0.4 CC(C)OCCCO 34a_100000212225_100000230001 [0,2,0,0,0,0|1,0,1]=4 2392 B7R0.4 CC(C)OCCON 34a_100000700252_100000210206 [0,2,0,0,0,0|1,0,1]=4 2393 B7R0.4 CC(C)OCCO[13CH3] 34a_100000211219_200025704644 [0,2,0,0,0,0|1,0,1]=4 2394 B7R0.4 CC(C)OCCO[13CH3] 7a_100000211219_200025704644 [0,2,0,0,0,0|1,0,1]=4 2395 B7R0.4 CC(C)SCCCO 62a_100000210206_100011215043 [0,2,0,0,0,0|1,0,1]=4 2396 B7R0.4 CC(C)SCCCO 62a_100011215043_100000210206 [0,2,0,0,0,0|1,0,1]=4 2397 B7R0.4 CC(C)SCCO[13CH3] 34a_200011212901_200025704644 [0,2,0,0,0,0|1,0,1]=4 2398 B7R0.4 CC(C)SCCO[13CH3] 7a_200011212901_200025704644 [0,2,0,0,0,0|1,0,1]=4 2399 B7R0.4 CC(F)COCCO 34a_100015925927_100000211926 [0,2,0,0,0,0|1,0,1]=4 2400 B7R0.4 CC(O)CNCCO 2230a_100000210904_100000211926 [0,2,0,0,0,0|0,0,2]=4 2401 B7R0.4 CC(O)CNCCO 2230a_100016997473_100011218427 [0,2,0,0,0,0|0,0,2]=4 2402 B7R0.4 CC(O)CNCCO 34a_100000210904_100000211926 [0,2,0,0,0,0|0,0,2]=4 2403 B7R0.4 CC(O)CNCCO 34a_100016990907_100011218427 [0,2,0,0,0,0|0,0,2]=4 2404 B7R0.4 CC(O)CSCCO 62a_100000211926_100011218427 [0,2,0,0,0,0|0,0,2]=4 2405 B7R0.4 CC(O)CSCCO 62a_100011218427_100000211926 [0,2,0,0,0,0|0,0,2]=4 2406 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [0,2,0,0,0,0|1,0,0]=3 2407 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [0,2,0,0,0,0|1,0,0]=3 2408 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [0,2,0,0,0,0|1,0,0]=3 2409 B7R0.4 CCC#CCC(=O)C 1458a_100000070787_100009813939 [0,2,0,0,0,0|1,0,0]=3 2410 B7R0.4 CCC=NNC(=O)C 4a_100000189765_100000210100 [0,2,0,0,0,0|1,0,1]=4 2411 B7R0.4 CCCC#CC(=O)C 1458a_200011218047_200000210301 [0,2,0,0,0,0|1,0,0]=3 2412 B7R0.4 CCCC#CC(=O)[13CH3] 1458a_200011218047_200025704644 [0,2,0,0,0,0|1,0,0]=3 2413 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [0,2,0,0,0,0|1,0,0]=3 2414 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [0,2,0,0,0,0|1,0,0]=3 2415 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [0,2,0,0,0,0|1,0,0]=3 2416 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [0,2,0,0,0,0|1,0,0]=3 2417 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [0,2,0,0,0,0|1,0,0]=3 2418 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [0,2,0,0,0,0|1,0,0]=3 2419 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [0,2,0,0,0,0|1,0,0]=3 2420 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [0,2,0,0,0,0|1,0,0]=3 2421 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [0,2,0,0,0,0|1,0,0]=3 2422 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [0,2,0,0,0,0|2,0,0]=4 2423 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [0,2,0,0,0,0|2,0,0]=4 2424 B7R0.4 CCCNNC(=O)C 22a_100000740057_100000070787 [0,2,0,0,0,0|1,0,0]=3 2425 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [0,2,0,0,0,0|1,0,0]=3 2426 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [0,2,0,0,0,0|1,0,0]=3 2427 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [0,2,0,0,0,0|2,0,0]=4 2428 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [0,2,0,0,0,0|1,0,0]=3 2429 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [0,2,0,0,0,0|2,0,0]=4 2430 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [0,2,0,0,0,0|1,0,0]=3 2431 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [0,2,0,0,0,0|2,0,0]=4 2432 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [0,2,0,0,0,0|2,0,0]=4 2433 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [0,2,0,0,0,0|1,0,0]=3 2434 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [0,2,0,0,0,0|2,0,0]=4 2435 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [0,2,0,0,0,0|2,0,0]=4 2436 B7R0.4 CCNCC=C(C)C 2230a_100015525214_100000761012 [0,2,0,0,0,0|2,0,0]=4 2437 B7R0.4 CCNCC=C(C)C 34a_100000718196_100000210202 [0,2,0,0,0,0|2,0,0]=4 2438 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [0,2,0,0,0,0|2,0,0]=4 2439 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [0,2,0,0,0,0|2,0,0]=4 2440 B7R0.4 CCOC=CC(=O)C 1458a_100016266692_200000210301 [0,2,0,0,0,0|0,0,2]=4 2441 B7R0.4 CCOC=CC(=O)[13CH3] 1458a_100016266692_200025704644 [0,2,0,0,0,0|0,0,2]=4 2442 B7R0.4 CCOCC=C(C)C 34a_100000753907_100000210202 [0,2,0,0,0,0|1,0,1]=4 2443 B7R0.4 CCOCC=C(C)C 34a_100121572206_100000761012 [0,2,0,0,0,0|1,0,1]=4 2444 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [0,2,0,0,0,0|0,0,0]=2 2445 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [0,2,0,0,0,0|0,0,0]=2 2446 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [0,2,0,0,0,0|0,0,0]=2 2447 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [0,2,0,0,0,0|0,0,0]=2 2448 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [0,2,0,0,0,0|1,0,0]=3 2449 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [0,2,0,0,0,0|1,0,0]=3 2450 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [0,2,0,0,0,0|1,0,0]=3 2451 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [0,2,0,0,0,0|0,0,0]=2 2452 B7R0.4 CCOCCC(C)Br 34a_100009893172_100000210202 [0,2,0,0,0,0|1,0,1]=4 2453 B7R0.4 CCOCCC(C)C 34a_100000210254_100000210202 [0,2,0,0,0,0|1,0,1]=4 2454 B7R0.4 CCOCCC(C)C 34a_100121572206_100000210312 [0,2,0,0,0,0|1,0,1]=4 2455 B7R0.4 CCOCCC(C)C 7a_100000210254_100000210202 [0,2,0,0,0,0|1,0,1]=4 2456 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [0,2,0,0,0,0|0,0,2]=4 2457 B7R0.4 CCOCCN(C)C 2230a_100102631434_100011215890 [0,2,0,0,0,0|2,0,0]=4 2458 B7R0.4 CCOCCN(C)C 269982a_100102631434_100011215890 [0,2,0,0,0,0|2,0,0]=4 2459 B7R0.4 CCOCC[C@@H](C)N 34a_100000706166_100000210202 [0,2,0,0,0,0|1,0,1]=4 2460 B7R0.4 CCOCOC(=O)C 34a_100121572206_100009813279 [0,2,0,0,0,0|1,0,0]=3 2461 B7R0.4 CCSCC=C(C)C 62a_100000210202_100000761012 [0,2,0,0,0,0|2,0,0]=4 2462 B7R0.4 CCSCC=C(C)C 62a_100000761012_100000210202 [0,2,0,0,0,0|2,0,0]=4 2463 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [0,2,0,0,0,0|0,1,0]=3 2464 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [0,2,0,0,0,0|0,1,0]=3 2465 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [0,2,0,0,0,0|0,1,0]=3 2466 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [0,2,0,0,0,0|0,1,0]=3 2467 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [0,2,0,0,0,0|1,1,0]=4 2468 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [0,2,0,0,0,0|1,1,0]=4 2469 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [0,2,0,0,0,0|0,1,0]=3 2470 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [0,2,0,0,0,0|1,0,0]=3 2471 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [0,2,0,0,0,0|1,0,0]=3 2472 B7R0.4 CN(C)CC#CCO 2230a_100102631434_200000047223 [0,2,0,0,0,0|2,0,0]=4 2473 B7R0.4 CN(C)CCCCO 2230a_100000717598_200000210301 [0,2,0,0,0,0|2,0,0]=4 2474 B7R0.4 CN(C)CCCCO 2230a_100102631434_100000210776 [0,2,0,0,0,0|2,0,0]=4 2475 B7R0.4 CN(C)CCCCO 269982a_100000717598_200000210301 [0,2,0,0,0,0|2,0,0]=4 2476 B7R0.4 CN(C)CCCCO 269982a_100102631434_100000210776 [0,2,0,0,0,0|2,0,0]=4 2477 B7R0.4 CN([13CH3])CCCCO 2230a_100000717598_200025704644 [0,2,0,0,0,0|2,0,0]=4 2478 B7R0.4 CN([13CH3])CCCCO 269982a_100000717598_200025704644 [0,2,0,0,0,0|2,0,0]=4 2479 B7R0.4 CNCCC=C(C)C 2230a_106832991635_100011217483 [0,2,0,0,0,0|2,0,0]=4 2480 B7R0.4 CNCCC=C(C)C 34a_100102657272_100011217483 [0,2,0,0,0,0|2,0,0]=4 2481 B7R0.4 CNCCC=C(C)C 7a_106832991635_100011217483 [0,2,0,0,0,0|2,0,0]=4 2482 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [0,2,0,0,0,0|1,0,0]=3 2483 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [0,2,0,0,0,0|1,0,0]=3 2484 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [0,2,0,0,0,0|2,0,0]=4 2485 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [0,2,0,0,0,0|2,0,0]=4 2486 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [0,2,0,0,0,0|2,0,0]=4 2487 B7R0.4 CNCCCS(=O)C 2230a_200000753449_200000210301 [0,2,0,0,0,0|2,0,0]=4 2488 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [0,2,0,0,0,0|1,0,0]=3 2489 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [0,2,0,0,0,0|1,0,0]=3 2490 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [0,2,0,0,0,0|1,0,0]=3 2491 B7R0.4 CNCCNC(=O)N 2230a_106832991635_200000034859 [0,2,0,0,0,0|2,0,0]=4 2492 B7R0.4 CNCCNC(=O)N 34a_100020590234_200000210301 [0,2,0,0,0,0|2,0,0]=4 2493 B7R0.4 CNCCNC(=O)N 7a_106832991635_200000034859 [0,2,0,0,0,0|2,0,0]=4 2494 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [0,2,0,0,0,0|1,0,0]=3 2495 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [0,2,0,0,0,0|1,0,0]=3 2496 B7R0.4 CNCCOC(=O)N 34a_100102657272_200011214921 [0,2,0,0,0,0|2,0,0]=4 2497 B7R0.4 CNCCOC(=O)N 7a_106832991635_200011214921 [0,2,0,0,0,0|2,0,0]=4 2498 B7R0.4 COCC=CC(=O)C 1458a_100016285016_200000210301 [0,2,0,0,0,0|0,0,1]=3 2499 B7R0.4 COCC=CC(=O)[13CH3] 1458a_100016285016_200025704644 [0,2,0,0,0,0|0,0,1]=3 2500 B7R0.4 COCCC=C(C)C 34a_100138415774_100011217483 [0,2,0,0,0,0|1,0,0]=3 2501 B7R0.4 COCCC=C(F)F 34a_100138415774_200009816681 [0,2,0,0,0,0|2,0,0]=4 2502 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [0,2,0,0,0,0|0,0,0]=2 2503 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [0,2,0,0,0,0|0,0,0]=2 2504 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [0,2,0,0,0,0|0,0,0]=2 2505 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [0,2,0,0,0,0|0,0,0]=2 2506 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [0,2,0,0,0,0|0,0,0]=2 2507 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [0,2,0,0,0,0|1,0,0]=3 2508 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [0,2,0,0,0,0|0,0,0]=2 2509 B7R0.4 COCCCC(C)C 34a_100000210774_200000210301 [0,2,0,0,0,0|1,0,1]=4 2510 B7R0.4 COCCCC(C)C 34a_100138415774_100011214892 [0,2,0,0,0,0|1,0,1]=4 2511 B7R0.4 COCCCC(C)C 7a_100000210774_200000210301 [0,2,0,0,0,0|1,0,1]=4 2512 B7R0.4 COCCCC(C)O 34a_100138415774_200000718107 [0,2,0,0,0,0|0,0,2]=4 2513 B7R0.4 COCCCN(C)C 2230a_100000224831_200000210301 [0,2,0,0,0,0|2,0,0]=4 2514 B7R0.4 COCCCN(C)C 2230a_100102631434_100000740836 [0,2,0,0,0,0|2,0,0]=4 2515 B7R0.4 COCCCN(C)C 269982a_100000224831_200000210301 [0,2,0,0,0,0|2,0,0]=4 2516 B7R0.4 COCCCN(C)C 269982a_100102631434_100000740836 [0,2,0,0,0,0|2,0,0]=4 2517 B7R0.4 COCCCN(C)[13CH3] 2230a_100000224831_200025704644 [0,2,0,0,0,0|2,0,0]=4 2518 B7R0.4 COCCCN(C)[13CH3] 269982a_100000224831_200025704644 [0,2,0,0,0,0|2,0,0]=4 2519 B7R0.4 COCCC[N+](=O)[O-] 34a_200000037920_200000210301 [0,2,0,0,0,0|2,0,0]=4 2520 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [0,2,0,0,0,0|0,0,0]=2 2521 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [0,2,0,0,0,0|0,0,0]=2 2522 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [0,2,0,0,0,0|0,0,0]=2 2523 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [0,2,0,0,0,0|0,0,0]=2 2524 B7R0.4 COCCNC(=O)N 34a_100000181757_200000210301 [0,2,0,0,0,0|1,0,0]=3 2525 B7R0.4 COCCNC(C)C 2230a_100000209980_100000210206 [0,2,0,0,0,0|1,0,1]=4 2526 B7R0.4 COCCNC(C)C 2230a_100138425928_100011201679 [0,2,0,0,0,0|1,0,1]=4 2527 B7R0.4 COCCNC(C)C 34a_100000224655_200000210301 [0,2,0,0,0,0|1,0,1]=4 2528 B7R0.4 COCCNC(C)C 34a_100138425928_100011201679 [0,2,0,0,0,0|1,0,1]=4 2529 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [0,2,0,0,0,0|0,0,0]=2 2530 B7R0.4 COCCOC(=O)N 34a_100138415774_200011214921 [0,2,0,0,0,0|1,0,0]=3 2531 B7R0.4 COCCOC(=O)N 7a_100000766696_200000210301 [0,2,0,0,0,0|1,0,0]=3 2532 B7R0.4 COCCOC(C)C 34a_100000210237_100000210206 [0,2,0,0,0,0|1,0,1]=4 2533 B7R0.4 COCCOC(C)C 34a_100000211219_200000210301 [0,2,0,0,0,0|1,0,1]=4 2534 B7R0.4 COCCOC(C)C 34a_100000212225_100011201679 [0,2,0,0,0,0|1,0,1]=4 2535 B7R0.4 COCCOC(C)C 34a_100138415774_100000211751 [0,2,0,0,0,0|1,0,1]=4 2536 B7R0.4 COCCOC(C)C 7a_100000211219_200000210301 [0,2,0,0,0,0|1,0,1]=4 2537 B7R0.4 COCCSC(C)C 34a_100138415774_100000730970 [0,2,0,0,0,0|1,0,1]=4 2538 B7R0.4 COCCSC(C)C 34a_200011212901_200000210301 [0,2,0,0,0,0|1,0,1]=4 2539 B7R0.4 COCCSC(C)C 62a_100000210206_100000233755 [0,2,0,0,0,0|1,0,1]=4 2540 B7R0.4 COCCSC(C)C 62a_100000233755_100000210206 [0,2,0,0,0,0|1,0,1]=4 2541 B7R0.4 COCCSC(C)C 7a_200011212901_200000210301 [0,2,0,0,0,0|1,0,1]=4 2542 B7R0.4 COCNCC(=O)N 2230a_100000711301_100000766300 [0,2,0,0,0,0|1,0,0]=3 2543 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [0,2,0,0,0,0|1,0,0]=3 2544 B7R0.4 COCNCC(C)C 2230a_100000210953_100000766300 [0,2,0,0,0,0|1,0,1]=4 2545 B7R0.4 COCNCC(C)O 2230a_100000210904_100000766300 [0,2,0,0,0,0|0,0,2]=4 2546 B7R0.4 COCSCC(=O)N 62a_100000747473_100000766300 [0,2,0,0,0,0|1,0,0]=3 2547 B7R0.4 COCSCC(=O)N 62a_100000766300_100000747473 [0,2,0,0,0,0|1,0,0]=3 2548 B7R0.4 COCSCC(=O)[O-] 62a_100000766300_100020667443 [0,2,0,0,0,0|1,0,0]=3 2549 B7R0.4 COCSCC(=O)[O-] 62a_100020667443_100000766300 [0,2,0,0,0,0|1,0,0]=3 2550 B7R0.4 COCSCC(C)C 62a_100000210624_100000766300 [0,2,0,0,0,0|1,0,1]=4 2551 B7R0.4 COCSCC(C)C 62a_100000766300_100000210760 [0,2,0,0,0,0|1,0,1]=4 2552 B7R0.4 COCSCC(C)O 62a_100000766300_100011218427 [0,2,0,0,0,0|0,0,2]=4 2553 B7R0.4 COCSCC(C)O 62a_100011218427_100000766300 [0,2,0,0,0,0|0,0,2]=4 2554 B7R0.4 COCSC[C@@H](C)O 62a_100000766300_100009817552 [0,2,0,0,0,0|0,0,2]=4 2555 B7R0.4 COCSC[C@@H](C)O 62a_100009817552_100000766300 [0,2,0,0,0,0|0,0,2]=4 2556 B7R0.4 COCSC[N+](=O)[O-] 62a_100000766300_100000761209 [0,2,0,0,0,0|2,0,0]=4 2557 B7R0.4 CS(=O)CCCN[13CH3] 2230a_200000753449_200025704644 [0,2,0,0,0,0|2,0,0]=4 2558 B7R0.4 CSCCC=C(C)C 62a_100011217483_200000210301 [0,2,0,0,0,0|1,1,0]=4 2559 B7R0.4 CSCCC=C(C)C 62a_200000210301_100011217483 [0,2,0,0,0,0|1,1,0]=4 2560 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [0,2,0,0,0,0|0,1,0]=3 2561 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [0,2,0,0,0,0|0,1,0]=3 2562 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [0,2,0,0,0,0|0,1,0]=3 2563 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [0,2,0,0,0,0|1,1,0]=4 2564 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [0,2,0,0,0,0|1,1,0]=4 2565 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [0,2,0,0,0,0|0,1,0]=3 2566 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [0,2,0,0,0,0|0,1,0]=3 2567 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [0,2,0,0,0,0|0,1,0]=3 2568 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [0,2,0,0,0,0|0,1,0]=3 2569 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [0,2,0,0,0,0|0,1,0]=3 2570 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [0,2,0,0,0,0|0,1,0]=3 2571 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [0,2,0,0,0,0|0,1,0]=3 2572 B7R0.4 CSCCNC(=O)N 62a_200000034859_200000210301 [0,2,0,0,0,0|1,1,0]=4 2573 B7R0.4 CSCCNC(=O)N 62a_200000210301_200000034859 [0,2,0,0,0,0|1,1,0]=4 2574 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [0,2,0,0,0,0|0,1,0]=3 2575 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [0,2,0,0,0,0|0,1,0]=3 2576 B7R0.4 CSCCOC(=O)N 62a_200000210301_200011214921 [0,2,0,0,0,0|1,1,0]=4 2577 B7R0.4 CSCCOC(=O)N 62a_200011214921_200000210301 [0,2,0,0,0,0|1,1,0]=4 2578 B7R0.4 CSCNCC(=O)N 2230a_100000711301_100011218213 [0,2,0,0,0,0|1,1,0]=4 2579 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [0,2,0,0,0,0|1,1,0]=4 2580 B7R0.4 CSCOCC(=O)C 34a_100000211253_100011218213 [0,2,0,0,0,0|0,1,0]=3 2581 B7R0.4 CSCSCC(=O)N 62a_100000747473_100011218213 [0,2,0,0,0,0|1,1,0]=4 2582 B7R0.4 CSCSCC(=O)N 62a_100011218213_100000747473 [0,2,0,0,0,0|1,1,0]=4 2583 B7R0.4 CSCSCC(=O)[O-] 62a_100011218213_100020667443 [0,2,0,0,0,0|1,1,0]=4 2584 B7R0.4 CSCSCC(=O)[O-] 62a_100020667443_100011218213 [0,2,0,0,0,0|1,1,0]=4 2585 B7R0.4 C[C@@H](Cl)COCCO 34a_100016084084_100000211926 [0,2,0,0,0,0|1,0,1]=4 2586 B7R0.4 C[C@@H](N)CCOCF 34a_100000706166_100015361967 [0,2,0,0,0,0|1,0,1]=4 2587 B7R0.4 C[C@@H](N)COCCO 34a_100000737577_100000211926 [0,2,0,0,0,0|1,0,1]=4 2588 B7R0.4 C[C@@H](O)CNCCO 2230a_100016997473_100009817552 [0,2,0,0,0,0|0,0,2]=4 2589 B7R0.4 C[C@@H](O)CNCCO 34a_100016990907_100009817552 [0,2,0,0,0,0|0,0,2]=4 2590 B7R0.4 C[C@@H](O)CSCCO 62a_100000211926_100009817552 [0,2,0,0,0,0|0,0,2]=4 2591 B7R0.4 C[C@@H](O)CSCCO 62a_100009817552_100000211926 [0,2,0,0,0,0|0,0,2]=4 2592 B7R0.4 N#CCNCC(=O)N 2230a_100000711301_100011215382 [0,2,0,0,0,0|2,0,0]=4 2593 B7R0.4 N#CCNCC(=O)O 269956a_100016091260_100011215382 [0,2,0,0,0,0|2,0,0]=4 2594 B7R0.4 N#CCSCC(=O)N 62a_100000747473_100011215382 [0,2,0,0,0,0|2,0,0]=4 2595 B7R0.4 N#CCSCC(=O)N 62a_100011215382_100000747473 [0,2,0,0,0,0|2,0,0]=4 2596 B7R0.4 N#CCSCC(=O)[O-] 62a_100011215382_100020667443 [0,2,0,0,0,0|2,0,0]=4 2597 B7R0.4 N#CCSCC(=O)[O-] 62a_100020667443_100011215382 [0,2,0,0,0,0|2,0,0]=4 2598 B7R0.4 NC(=O)CCOCF 34a_100000757172_100015361967 [0,2,0,0,0,0|1,0,0]=3 2599 B7R0.4 NC(=O)CCOCF 7a_100000757172_100015361967 [0,2,0,0,0,0|1,0,0]=3 2600 B7R0.4 NC(=O)CCSCF 62a_100000744528_100015361967 [0,2,0,0,0,0|1,1,0]=4 2601 B7R0.4 NC(=O)CCSCF 62a_100015361967_100000744528 [0,2,0,0,0,0|1,1,0]=4 2602 B7R0.4 NC(=O)CNCC=O 2230a_100000711301_200015260668 [0,2,0,0,0,0|1,0,1]=4 2603 B7R0.4 NC(=O)CNCCF 2230a_100000711301_100011217306 [0,2,0,0,0,0|2,0,0]=4 2604 B7R0.4 NC(=O)CNCCF 34a_100000724931_100000187820 [0,2,0,0,0,0|2,0,0]=4 2605 B7R0.4 NC(=O)CNCCO 2230a_100000711301_100000211926 [0,2,0,0,0,0|1,0,0]=3 2606 B7R0.4 NC(=O)CNCCO 2230a_100016997473_100000747473 [0,2,0,0,0,0|1,0,0]=3 2607 B7R0.4 NC(=O)CNCCO 34a_100016990907_100000187820 [0,2,0,0,0,0|1,0,0]=3 2608 B7R0.4 NC(=O)COCCBr 34a_100000211926_100000187820 [0,2,0,0,0,0|2,0,0]=4 2609 B7R0.4 NC(=O)CSCC=O 62a_100000747473_200015260668 [0,2,0,0,0,0|1,0,1]=4 2610 B7R0.4 NC(=O)CSCC=O 62a_200015260668_100000747473 [0,2,0,0,0,0|1,0,1]=4 2611 B7R0.4 NC(=O)CSCCF 62a_100000747473_100011217306 [0,2,0,0,0,0|2,0,0]=4 2612 B7R0.4 NC(=O)CSCCF 62a_100011217306_100000747473 [0,2,0,0,0,0|2,0,0]=4 2613 B7R0.4 NC(=O)CSCCO 62a_100000211926_100000747473 [0,2,0,0,0,0|1,0,0]=3 2614 B7R0.4 NC(=O)CSCCO 62a_100000747473_100000211926 [0,2,0,0,0,0|1,0,0]=3 2615 B7R0.4 NCCOCC(=O)N 34a_100000210304_100000187820 [0,2,0,0,0,0|2,0,0]=4 2616 B7R0.4 NCCOCC(=O)[O-] 34a_100000210304_100020667443 [0,2,0,0,0,0|2,0,0]=4 2617 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [0,2,0,0,0,0|2,0,0]=4 2618 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [0,2,0,0,0,0|1,0,0]=3 2619 B7R0.4 O=C(O)CONCF 269956a_100000106656_100015361967 [0,2,0,0,0,0|2,0,0]=4 2620 B7R0.4 O=C([O-])CNCCF 34a_100000724931_100020667443 [0,2,0,0,0,0|2,0,0]=4 2621 B7R0.4 O=C([O-])CNCCO 34a_100016990907_100020667443 [0,2,0,0,0,0|1,0,0]=3 2622 B7R0.4 O=C([O-])COCCBr 34a_100000211926_100020667443 [0,2,0,0,0,0|2,0,0]=4 2623 B7R0.4 O=C([O-])CSCCF 62a_100011217306_100020667443 [0,2,0,0,0,0|2,0,0]=4 2624 B7R0.4 O=C([O-])CSCCF 62a_100020667443_100011217306 [0,2,0,0,0,0|2,0,0]=4 2625 B7R0.4 O=C([O-])CSCCO 62a_100000211926_100020667443 [0,2,0,0,0,0|1,0,0]=3 2626 B7R0.4 O=C([O-])CSCCO 62a_100020667443_100000211926 [0,2,0,0,0,0|1,0,0]=3 2627 B7R0.4 O=CCNCC(=O)O 269956a_100016091260_200015260668 [0,2,0,0,0,0|1,0,1]=4 2628 B7R0.4 O=CCSCC(=O)[O-] 62a_100020667443_200015260668 [0,2,0,0,0,0|1,0,1]=4 2629 B7R0.4 O=CCSCC(=O)[O-] 62a_200015260668_100020667443 [0,2,0,0,0,0|1,0,1]=4 2630 B7R0.4 O=[N+]([O-])CNCCO 34a_100016990907_100000761209 [0,2,0,0,0,0|2,0,0]=4 2631 B7R0.4 O=[N+]([O-])CSCCO 62a_100000211926_100000761209 [0,2,0,0,0,0|2,0,0]=4 2632 B7R0.4 [13CH3]C(=O)CCCC#N 1458a_100000075515_200025704644 [0,2,0,0,0,0|1,0,0]=3 2633 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [0,2,0,0,0,0|0,0,0]=2 2634 B7R0.4 [13CH3]C(=O)CCN=[N+]=[N-] 1458a_100000688302_200025704644 [0,2,0,0,0,0|1,0,0]=3 2635 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [0,2,0,0,0,0|0,0,0]=2 2636 B7R0.4 [13CH3]C(=O)CSCC#N 1458a_100000150266_200025704644 [0,2,0,0,0,0|1,0,0]=3 2637 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [0,2,0,0,0,0|2,0,0]=4 2638 B7R0.4 [13CH3]NCCNC(=O)N 34a_100020590234_200025704644 [0,2,0,0,0,0|2,0,0]=4 2639 B7R0.4 [13CH3]OCCC[N+](=O)[O-] 34a_200000037920_200025704644 [0,2,0,0,0,0|2,0,0]=4 2640 B7R0.4 [13CH3]OCCNC(=O)N 34a_100000181757_200025704644 [0,2,0,0,0,0|1,0,0]=3 2641 B7R0.4 [13CH3]OCCOC(=O)N 7a_100000766696_200025704644 [0,2,0,0,0,0|1,0,0]=3 2642 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [0,2,0,0,0,0|1,1,0]=4 2643 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [0,2,0,0,0,0|1,1,0]=4 2644 B7R0.4 [13CH3]SCCNC(=O)N 62a_200000034859_200025704644 [0,2,0,0,0,0|1,1,0]=4 2645 B7R0.4 [13CH3]SCCNC(=O)N 62a_200025704644_200000034859 [0,2,0,0,0,0|1,1,0]=4 2646 B7R0.4 [13CH3]SCCOC(=O)N 62a_200011214921_200025704644 [0,2,0,0,0,0|1,1,0]=4 2647 B7R0.4 [13CH3]SCCOC(=O)N 62a_200025704644_200011214921 [0,2,0,0,0,0|1,1,0]=4 2648 B7R0.6 C=C(C)CCC(=O)C 1458a_100000070787_100000730704 [0,2,0,0,0,0|1,0,0]=3 2649 B7R0.6 C=C(C)CCC(=O)C 1458a_200000688413_200000210301 [0,2,0,0,0,0|1,0,0]=3 2650 B7R0.6 C=C(C)CCC(=O)[13CH3] 1458a_200000688413_200025704644 [0,2,0,0,0,0|1,0,0]=3 2651 B7R0.6 C=C(C)CCN(C)C 2230a_100102631434_100000730704 [0,2,0,0,0,0|2,0,0]=4 2652 B7R0.6 C=C(C)CCN(C)C 269982a_100102631434_100000730704 [0,2,0,0,0,0|2,0,0]=4 2653 B7R0.6 C=C(C)CNC(=O)C 11a_100000765925_100015343762 [0,2,0,0,0,0|1,0,1]=4 2654 B7R0.6 C=C(C)CNC(=O)C 1626a_100000765925_100015343762 [0,2,0,0,0,0|1,0,1]=4 2655 B7R0.6 C=C(C)CNC(=O)C 240690a_100000765925_100015343762 [0,2,0,0,0,0|1,0,1]=4 2656 B7R0.6 C=C(C)CNC(=O)C 527a_100000765925_100103153847 [0,2,0,0,0,0|1,0,1]=4 2657 B7R0.6 C=C(C)CNC(C)C 2230a_100138425928_100000748629 [0,2,0,0,0,0|2,0,0]=4 2658 B7R0.6 C=C(C)CNC(C)C 34a_100138425928_100000748629 [0,2,0,0,0,0|2,0,0]=4 2659 B7R0.6 C=C(C)COC(C)C 34a_100000210245_100000210206 [0,2,0,0,0,0|2,0,0]=4 2660 B7R0.6 C=C(C)COC(C)C 34a_100000212225_100000748629 [0,2,0,0,0,0|2,0,0]=4 2661 B7R0.6 C=C(C)CSC(C)C 62a_100000210206_100000211660 [0,2,0,0,0,0|2,0,0]=4 2662 B7R0.6 C=C(C)CSC(C)C 62a_100000748629_100000210206 [0,2,0,0,0,0|2,0,0]=4 2663 B7R0.6 CC(=CCC(=O)[13CH3])C 1458a_100011220947_200025704644 [0,2,0,0,0,0|1,0,1]=4 2664 B7R0.6 CC(=O)C=CC(C)C 1458a_100016268746_200000210301 [0,2,0,0,0,0|1,0,1]=4 2665 B7R0.6 CC(=O)CC=C(C)C 1458a_100000070787_100000761012 [0,2,0,0,0,0|1,0,1]=4 2666 B7R0.6 CC(=O)CC=C(C)C 1458a_100011220947_200000210301 [0,2,0,0,0,0|1,0,1]=4 2667 B7R0.6 CC(=O)CCC(=O)N 1458a_100011215257_200000210301 [0,2,0,0,0,0|0,0,1]=3 2668 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [0,2,0,0,0,0|1,0,0]=3 2669 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [0,2,0,0,0,0|1,0,0]=3 2670 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [0,2,0,0,0,0|0,0,0]=2 2671 B7R0.6 CC(=O)CCN(C)C 269982a_100102631434_100000053229 [0,2,0,0,0,0|1,0,0]=3 2672 B7R0.6 CC(=O)CC[N+](=O)[O-] 1458a_200000064761_200000210301 [0,2,0,0,0,0|0,0,1]=3 2673 B7R0.6 CC(=O)CC[S+](C)C 1458a_100009452791_200000210301 [0,2,0,0,0,0|0,1,0]=3 2674 B7R0.6 CC(=O)CNC(=O)C 1458a_100000194580_200000210301 [0,2,0,0,0,0|0,0,2]=4 2675 B7R0.6 CC(=O)CNC(=O)N 1458a_100000184981_200000210301 [0,2,0,0,0,0|0,0,2]=4 2676 B7R0.6 CC(=O)COC(=O)C 1458a_100000183556_200000210301 [0,2,0,0,0,0|0,0,2]=4 2677 B7R0.6 CC(=O)COC(C)C 1458a_100000745533_200000210301 [0,2,0,0,0,0|1,0,0]=3 2678 B7R0.6 CC(=O)COC(C)C 34a_100000211253_100000210206 [0,2,0,0,0,0|1,0,0]=3 2679 B7R0.6 CC(=O)COC(F)F 1458a_200000719455_200000210301 [0,2,0,0,0,0|1,0,0]=3 2680 B7R0.6 CC(=O)CSC(=O)C 1458a_100000049016_200000210301 [0,2,0,0,0,0|0,0,2]=4 2681 B7R0.6 CC(=O)CSC(C)C 1458a_100000241585_200000210301 [0,2,0,0,0,0|1,0,0]=3 2682 B7R0.6 CC(=O)CSC(F)F 1458a_114828291038_200000210301 [0,2,0,0,0,0|1,0,0]=3 2683 B7R0.6 CC(=O)NCC(=O)N 11a_100000711301_100015343762 [0,2,0,0,0,0|0,0,2]=4 2684 B7R0.6 CC(=O)NCC(=O)N 240690a_100000711301_100015343762 [0,2,0,0,0,0|0,0,2]=4 2685 B7R0.6 CC(=O)NCC(=O)N 527a_100000711301_100103153847 [0,2,0,0,0,0|0,0,2]=4 2686 B7R0.6 CC(=O)NCC(=O)[13CH3] 1458a_100000194580_200025704644 [0,2,0,0,0,0|0,0,2]=4 2687 B7R0.6 CC(=O)NCC(C)C 11a_100000210953_100015343762 [0,2,0,0,0,0|1,0,0]=3 2688 B7R0.6 CC(=O)NCC(C)C 1626a_100000210953_100015343762 [0,2,0,0,0,0|1,0,0]=3 2689 B7R0.6 CC(=O)NCC(C)C 240690a_100000210953_100015343762 [0,2,0,0,0,0|1,0,0]=3 2690 B7R0.6 CC(=O)NCC(C)C 527a_100000210953_100103153847 [0,2,0,0,0,0|1,0,0]=3 2691 B7R0.6 CC(=O)NCC(C)O 11a_100000210904_100015343762 [0,2,0,0,0,0|0,0,0]=2 2692 B7R0.6 CC(=O)NCC(C)O 240690a_100000210904_100015343762 [0,2,0,0,0,0|0,0,0]=2 2693 B7R0.6 CC(=O)NCC(C)O 527a_100000210904_100103153847 [0,2,0,0,0,0|0,0,0]=2 2694 B7R0.6 CC(=O)NCC(F)F 11a_100000765723_100015343762 [0,2,0,0,0,0|1,0,0]=3 2695 B7R0.6 CC(=O)NCC(F)F 1626a_100000765723_100015343762 [0,2,0,0,0,0|1,0,0]=3 2696 B7R0.6 CC(=O)NCC(F)F 240690a_100000765723_100015343762 [0,2,0,0,0,0|1,0,0]=3 2697 B7R0.6 CC(=O)NCC(F)F 527a_100000765723_100103153847 [0,2,0,0,0,0|1,0,0]=3 2698 B7R0.6 CC(=O)NNC(C)C 22a_100000741168_100000070787 [0,2,0,0,0,0|2,0,0]=4 2699 B7R0.6 CC(=O)OCC(=O)[13CH3] 1458a_100000183556_200025704644 [0,2,0,0,0,0|0,0,2]=4 2700 B7R0.6 CC(=O)OCN(C)C 269982a_100102631434_100000076356 [0,2,0,0,0,0|2,0,0]=4 2701 B7R0.6 CC(=O)SCC(=O)[13CH3] 1458a_100000049016_200025704644 [0,2,0,0,0,0|0,0,2]=4 2702 B7R0.6 CC(C)C=CC(=O)[13CH3] 1458a_100016268746_200025704644 [0,2,0,0,0,0|1,0,1]=4 2703 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [0,2,0,0,0,0|1,0,0]=3 2704 B7R0.6 CC(C)NCC(=O)N 2230a_100000711301_100000210206 [0,2,0,0,0,0|2,0,0]=4 2705 B7R0.6 CC(C)NCC(=O)N 2230a_100138425928_100000747473 [0,2,0,0,0,0|2,0,0]=4 2706 B7R0.6 CC(C)NCC(=O)N 34a_100138425928_100000187820 [0,2,0,0,0,0|2,0,0]=4 2707 B7R0.6 CC(C)NCC(=O)O 269956a_100016091260_100000210206 [0,2,0,0,0,0|2,0,0]=4 2708 B7R0.6 CC(C)NCC(=O)[O-] 34a_100138425928_100020667443 [0,2,0,0,0,0|2,0,0]=4 2709 B7R0.6 CC(C)NC[C@@H](C)O 2230a_100138425928_100009817552 [0,2,0,0,0,0|1,0,1]=4 2710 B7R0.6 CC(C)NC[C@@H](C)O 34a_100138425928_100009817552 [0,2,0,0,0,0|1,0,1]=4 2711 B7R0.6 CC(C)OCC(=O)N 34a_100000212225_100000187820 [0,2,0,0,0,0|2,0,0]=4 2712 B7R0.6 CC(C)OCC(=O)[13CH3] 1458a_100000745533_200025704644 [0,2,0,0,0,0|1,0,0]=3 2713 B7R0.6 CC(C)OCC(=O)[O-] 34a_100000212225_100020667443 [0,2,0,0,0,0|2,0,0]=4 2714 B7R0.6 CC(C)OC[C@@H](C)O 34a_100000212225_100009817552 [0,2,0,0,0,0|1,0,1]=4 2715 B7R0.6 CC(C)SCC(=O)N 62a_100000210206_100000747473 [0,2,0,0,0,0|2,0,0]=4 2716 B7R0.6 CC(C)SCC(=O)N 62a_100000747473_100000210206 [0,2,0,0,0,0|2,0,0]=4 2717 B7R0.6 CC(C)SCC(=O)[13CH3] 1458a_100000241585_200025704644 [0,2,0,0,0,0|1,0,0]=3 2718 B7R0.6 CC(C)SCC(=O)[O-] 62a_100000210206_100020667443 [0,2,0,0,0,0|2,0,0]=4 2719 B7R0.6 CC(C)SCC(=O)[O-] 62a_100020667443_100000210206 [0,2,0,0,0,0|2,0,0]=4 2720 B7R0.6 CC(C)SC[C@@H](C)O 62a_100000210206_100009817552 [0,2,0,0,0,0|1,0,1]=4 2721 B7R0.6 CC(C)SC[C@@H](C)O 62a_100009817552_100000210206 [0,2,0,0,0,0|1,0,1]=4 2722 B7R0.6 CC(O)CCN(C)C 2230a_100102631434_100012276601 [0,2,0,0,0,0|2,0,0]=4 2723 B7R0.6 CC(O)CCN(C)C 269982a_100102631434_100012276601 [0,2,0,0,0,0|2,0,0]=4 2724 B7R0.6 CC(O)CNC(C)C 2230a_100000210904_100000210206 [0,2,0,0,0,0|1,0,1]=4 2725 B7R0.6 CC(O)CNC(C)C 2230a_100138425928_100011218427 [0,2,0,0,0,0|1,0,1]=4 2726 B7R0.6 CC(O)CNC(C)C 34a_100000210904_100000210206 [0,2,0,0,0,0|1,0,1]=4 2727 B7R0.6 CC(O)CNC(C)C 34a_100138425928_100011218427 [0,2,0,0,0,0|1,0,1]=4 2728 B7R0.6 CC(O)COC(C)C 34a_100000212225_100011218427 [0,2,0,0,0,0|1,0,1]=4 2729 B7R0.6 CC(O)CSC(C)C 62a_100000210206_100011218427 [0,2,0,0,0,0|1,0,1]=4 2730 B7R0.6 CC(O)CSC(C)C 62a_100011218427_100000210206 [0,2,0,0,0,0|1,0,1]=4 2731 B7R0.6 CN(C)CCC(=O)N 2230a_100000730477_200000210301 [0,2,0,0,0,0|2,0,0]=4 2732 B7R0.6 CN(C)CCC(=O)N 2230a_100102631434_100000744528 [0,2,0,0,0,0|2,0,0]=4 2733 B7R0.6 CN(C)CCC(=O)N 269982a_100102631434_100000744528 [0,2,0,0,0,0|2,0,0]=4 2734 B7R0.6 CN([13CH3])CCC(=O)N 2230a_100000730477_200025704644 [0,2,0,0,0,0|2,0,0]=4 2735 B7R0.6 C[S+](C)CCC(=O)[13CH3] 1458a_100009452791_200025704644 [0,2,0,0,0,0|0,1,0]=3 2736 B7R0.6 [13CH3]C(=O)CCC(=O)N 1458a_100011215257_200025704644 [0,2,0,0,0,0|0,0,1]=3 2737 B7R0.6 [13CH3]C(=O)CC[N+](=O)[O-] 1458a_200000064761_200025704644 [0,2,0,0,0,0|0,0,1]=3 2738 B7R0.6 [13CH3]C(=O)CNC(=O)N 1458a_100000184981_200025704644 [0,2,0,0,0,0|0,0,2]=4 2739 B7R0.6 [13CH3]C(=O)COC(F)F 1458a_200000719455_200025704644 [0,2,0,0,0,0|1,0,0]=3 2740 B7R0.6 [13CH3]C(=O)CSC(F)F 1458a_114828291038_200025704644 [0,2,0,0,0,0|1,0,0]=3 2741 B7R0.8 CC(C)(C)CCO[13CH3] 7a_100000765024_200025704644 [0,2,0,0,0,0|1,0,1]=4 2742 B7R0.8 CC(C)(C)NCCO 2230a_100000715429_100000211926 [0,2,0,0,0,0|1,0,1]=4 2743 B7R0.8 CC(C)(C)NCCO 34a_100016990907_100000210625 [0,2,0,0,0,0|1,0,1]=4 2744 B7R0.8 CC(C)(C)OCCO 34a_100015890283_100000211926 [0,2,0,0,0,0|1,0,1]=4 2745 B7R0.8 CC(C)(C)OCCO 7a_100015890283_100000211926 [0,2,0,0,0,0|1,0,1]=4 2746 B7R0.8 CC(C)(C)SCCO 62a_100000211926_100000211941 [0,2,0,0,0,0|1,0,1]=4 2747 B7R0.8 CC(C)(C)SCCO 62a_100000211941_100000211926 [0,2,0,0,0,0|1,0,1]=4 2748 B7R0.8 CCCNS(=O)(=O)C 40a_100020643023_100000738038 [0,2,0,0,0,0|2,0,0]=4 2749 B7R0.8 CNCCS(=O)(=O)C 2230a_100000740961_200000210301 [0,2,0,0,0,0|2,0,0]=4 2750 B7R0.8 CNCCS(=O)(=O)C 2230a_106832991635_100000731031 [0,2,0,0,0,0|2,0,0]=4 2751 B7R0.8 CNCCS(=O)(=O)C 34a_100000740961_200000210301 [0,2,0,0,0,0|2,0,0]=4 2752 B7R0.8 CNCCS(=O)(=O)C 34a_100102657272_100000731031 [0,2,0,0,0,0|2,0,0]=4 2753 B7R0.8 CNCCS(=O)(=O)C 7a_106832991635_100000230027 [0,2,0,0,0,0|2,0,0]=4 2754 B7R0.8 COCCC(C)(C)C 34a_100138415774_100000755188 [0,2,0,0,0,0|1,0,1]=4 2755 B7R0.8 COCCC(C)(C)C 7a_100000765024_200000210301 [0,2,0,0,0,0|1,0,1]=4 2756 B7R0.8 COCCC(C)(C)O 34a_100138415774_100000702414 [0,2,0,0,0,0|0,0,2]=4 2757 B7R0.8 COCCS(=O)(=O)C 34a_100000211924_200000210301 [0,2,0,0,0,0|1,0,0]=3 2758 B7R0.8 COCCS(=O)(=O)C 34a_100138415774_100000731031 [0,2,0,0,0,0|1,0,0]=3 2759 B7R0.8 COCCS(=O)(=O)C 7a_100000211924_200000210301 [0,2,0,0,0,0|1,0,0]=3 2760 B7R0.8 COCCS(=O)(=O)N 34a_100012334274_200000210301 [0,2,0,0,0,0|2,0,0]=4 2761 B7R0.8 COCCS(=O)(=O)[O-] 34a_100138415774_100000762736 [0,2,0,0,0,0|2,0,0]=4 2762 B7R0.8 COCC[N+](C)(C)C 34a_100138415774_100000085578 [0,2,0,0,0,0|2,0,0]=4 2763 B7R0.8 COCC[N+](C)(C)C 7a_200020618287_200000210301 [0,2,0,0,0,0|2,0,0]=4 2764 B7R0.8 COCC[Si](C)(C)C 34a_100138415774_200000733723 [0,2,0,0,0,0|1,1,0]=4 2765 B7R0.8 COCC[Si](C)(C)C 7a_100000039746_200000210301 [0,2,0,0,0,0|1,1,0]=4 2766 B7R0.8 CS(=O)(=O)CCN[13CH3] 2230a_100000740961_200025704644 [0,2,0,0,0,0|2,0,0]=4 2767 B7R0.8 CS(=O)(=O)CCN[13CH3] 34a_100000740961_200025704644 [0,2,0,0,0,0|2,0,0]=4 2768 B7R0.8 CS(=O)(=O)CCO[13CH3] 34a_100000211924_200025704644 [0,2,0,0,0,0|1,0,0]=3 2769 B7R0.8 CS(=O)(=O)CCO[13CH3] 7a_100000211924_200025704644 [0,2,0,0,0,0|1,0,0]=3 2770 B7R0.8 CS(=O)(=O)CCS[13CH3] 62a_100000731031_200025704644 [0,2,0,0,0,0|1,1,0]=4 2771 B7R0.8 CS(=O)(=O)CCS[13CH3] 62a_200025704644_100000230027 [0,2,0,0,0,0|1,1,0]=4 2772 B7R0.8 CS(=O)(=O)NCCF 40a_100000724931_100000738038 [0,2,0,0,0,0|2,0,0]=4 2773 B7R0.8 CS(=O)(=O)NCCO 40a_100000210304_100000738038 [0,2,0,0,0,0|1,0,0]=3 2774 B7R0.8 CSCCS(=O)(=O)C 62a_100000731031_200000210301 [0,2,0,0,0,0|1,1,0]=4 2775 B7R0.8 CSCCS(=O)(=O)C 62a_200000210301_100000230027 [0,2,0,0,0,0|1,1,0]=4 2776 B7R0.8 C[N+](C)(C)CCO[13CH3] 7a_200020618287_200025704644 [0,2,0,0,0,0|2,0,0]=4 2777 B7R0.8 C[Si](C)(C)CCO[13CH3] 7a_100000039746_200025704644 [0,2,0,0,0,0|1,1,0]=4 2778 B7R0.8 [13CH3]OCCS(=O)(=O)N 34a_100012334274_200025704644 [0,2,0,0,0,0|2,0,0]=4 2779 B5R1.2 CN1CCC1 269982a_100000754969_200000210301 [1,0,0,1,0,0|2,0,0]=4 2780 B5R1.2 [13CH3]N1CCC1 269982a_100000754969_200025704644 [1,0,0,1,0,0|2,0,0]=4 2781 B7R1.1 CNC1CCOC1 2230a_106832991635_100000731011 [0,1,0,1,0,0|1,0,1]=4 2782 B7R1.1 CNC1CCOC1 270004a_106832991635_100000752484 [0,1,0,1,0,0|1,0,1]=4 2783 B7R1.1 CNC1CCOC1 34a_100102657272_100000690089 [0,1,0,1,0,0|1,0,1]=4 2784 B7R1.1 CNC1CCOC1 7a_106832991635_100000731011 [0,1,0,1,0,0|1,0,1]=4 2785 B7R1.1 CN[C@@H]1CCOC1 2230a_200015188469_200000210301 [0,1,0,1,0,0|1,0,1]=4 2786 B7R1.1 CN[C@H]1CCOC1 2230a_100015188467_200000210301 [0,1,0,1,0,0|1,0,1]=4 2787 B7R1.1 CN[C@H]1CCOC1 34a_100015188467_200000210301 [0,1,0,1,0,0|1,0,1]=4 2788 B7R1.1 COC1CCOC1 34a_100138415774_100000690089 [0,1,0,1,0,0|0,0,2]=4 2789 B7R1.1 CO[C@H]1CCOC1 34a_100000717292_200000210301 [0,1,0,1,0,0|0,0,2]=4 2790 B7R1.1 CSC1CCOC1 62a_200000210301_100000690089 [0,1,0,1,0,0|0,1,1]=4 2791 B7R1.1 [13CH3]N[C@@H]1CCOC1 2230a_200015188469_200025704644 [0,1,0,1,0,0|1,0,1]=4 2792 B7R1.1 [13CH3]N[C@H]1CCOC1 2230a_100015188467_200025704644 [0,1,0,1,0,0|1,0,1]=4 2793 B7R1.1 [13CH3]N[C@H]1CCOC1 34a_100015188467_200025704644 [0,1,0,1,0,0|1,0,1]=4 2794 B7R1.1 [13CH3]O[C@H]1CCOC1 34a_100000717292_200025704644 [0,1,0,1,0,0|0,0,2]=4 2795 B7R1.1 [13CH3]SC1CCOC1 62a_200025704644_100000690089 [0,1,0,1,0,0|0,1,1]=4 2796 B7R1.2 CN1CCC(C1)O 2230a_100011215560_200000210301 [0,1,0,1,0,0|2,0,0]=4 2797 B7R1.2 CN1CCC(C1)O 269982a_100011215560_200000210301 [0,1,0,1,0,0|2,0,0]=4 2798 B7R1.2 CN1CNC(=O)C1 2230a_200000708111_200000210301 [0,1,0,1,0,0|2,0,0]=4 2799 B7R1.2 [13CH3]N1CCC(C1)O 2230a_100011215560_200025704644 [0,1,0,1,0,0|2,0,0]=4 2800 B7R1.2 [13CH3]N1CCC(C1)O 269982a_100011215560_200025704644 [0,1,0,1,0,0|2,0,0]=4 2801 B7R1.2 [13CH3]N1CNC(=O)C1 2230a_200000708111_200025704644 [0,1,0,1,0,0|2,0,0]=4 2802 B7R1.3 CN1CCCOC1 2230a_100000131196_200000210301 [0,1,0,1,0,0|2,0,0]=4 2803 B7R1.3 CN1CCCOC1 269982a_100000131196_200000210301 [0,1,0,1,0,0|2,0,0]=4 2804 B7R1.3 CN1CCCOC1 34a_100000131196_200000210301 [0,1,0,1,0,0|2,0,0]=4 2805 B7R1.3 CN1CCOCC1 2230a_100015191051_200000210301 [0,1,0,1,0,0|2,0,0]=4 2806 B7R1.3 CN1CCOCC1 269982a_100015191051_200000210301 [0,1,0,1,0,0|2,0,0]=4 2807 B7R1.3 CN1CCOCC1 34a_100015191051_200000210301 [0,1,0,1,0,0|2,0,0]=4 2808 B7R1.3 [13CH3]N1CCCOC1 2230a_100000131196_200025704644 [0,1,0,1,0,0|2,0,0]=4 2809 B7R1.3 [13CH3]N1CCCOC1 269982a_100000131196_200025704644 [0,1,0,1,0,0|2,0,0]=4 2810 B7R1.3 [13CH3]N1CCCOC1 34a_100000131196_200025704644 [0,1,0,1,0,0|2,0,0]=4 2811 B7R1.3 [13CH3]N1CCOCC1 2230a_100015191051_200025704644 [0,1,0,1,0,0|2,0,0]=4 2812 B7R1.3 [13CH3]N1CCOCC1 269982a_100015191051_200025704644 [0,1,0,1,0,0|2,0,0]=4 2813 B7R1.3 [13CH3]N1CCOCC1 34a_100015191051_200025704644 [0,1,0,1,0,0|2,0,0]=4 2814 B7R1.5 CC1CC1CO[13CH3] 34a_100000744939_200025704644 [0,1,0,1,0,0|1,0,1]=4 2815 B7R1.5 CC1CC1CO[13CH3] 7a_100000744939_200025704644 [0,1,0,1,0,0|1,0,1]=4 2816 B7R1.5 COCC1CC1C 34a_100000744939_200000210301 [0,1,0,1,0,0|1,0,1]=4 2817 B7R1.5 COCC1CC1C 7a_100000744939_200000210301 [0,1,0,1,0,0|1,0,1]=4 2818 B7R1.6 OCCN1CCC1 269982a_100000754969_100000211926 [0,1,0,1,0,0|2,0,0]=4 2819 B7R1.8 CNC1CCC1=O 34a_100102657272_100009892977 [0,1,0,1,0,0|2,0,0]=4 2820 B7R1.8 CNC1CCC1=O 7a_106832991635_100009892977 [0,1,0,1,0,0|2,0,0]=4 2821 B7R1.8 COC1CCC1=O 34a_100138415774_100009892977 [0,1,0,1,0,0|2,0,0]=4 2822 B7R1.8 CSC1CCC1=O 62a_100009892977_200000210301 [0,1,0,1,0,0|2,0,0]=4 2823 B7R1.8 CSC1CCC1=O 62a_200000210301_100009892977 [0,1,0,1,0,0|2,0,0]=4 2824 B7R1.8 [13CH3]SC1CCC1=O 62a_100009892977_200025704644 [0,1,0,1,0,0|2,0,0]=4 2825 B7R1.8 [13CH3]SC1CCC1=O 62a_200025704644_100009892977 [0,1,0,1,0,0|2,0,0]=4 2826 B7R1.10 C=C1CC(C1)NC 2230a_100132301982_200000210301 [0,1,0,1,0,0|2,0,0]=4 2827 B7R1.10 C=C1CC(C1)N[13CH3] 2230a_100132301982_200025704644 [0,1,0,1,0,0|2,0,0]=4 2828 B7R1.10 CCN1CC(C1)O 269982a_100000749847_100000204670 [0,1,0,1,0,0|2,0,0]=4 2829 B7R1.10 CN1CC(C1)CO 269982a_100016987283_200000210301 [0,1,0,1,0,0|2,0,0]=4 2830 B7R1.10 CN1CC(C1)CO 34a_100016987283_200000210301 [0,1,0,1,0,0|2,0,0]=4 2831 B7R1.10 CN[C@H]1C[C@@H](C1)O 2230a_100020629032_200000210301 [0,1,0,1,0,0|1,0,1]=4 2832 B7R1.10 COC1CN(C1)C 269982a_100000755009_200000210301 [0,1,0,1,0,0|2,0,0]=4 2833 B7R1.10 COC1CN(C1)[13CH3] 269982a_100000755009_200025704644 [0,1,0,1,0,0|2,0,0]=4 2834 B7R1.10 CSC1CC(=O)C1 62a_100009894365_200000210301 [0,1,0,1,0,0|0,1,0]=3 2835 B7R1.10 OC1CN(C1)CF 269982a_100000749847_100015361967 [0,1,0,1,0,0|2,0,0]=4 2836 B7R1.10 [13CH3]N1CC(C1)CO 269982a_100016987283_200025704644 [0,1,0,1,0,0|2,0,0]=4 2837 B7R1.10 [13CH3]N1CC(C1)CO 34a_100016987283_200025704644 [0,1,0,1,0,0|2,0,0]=4 2838 B7R1.10 [13CH3]N[C@H]1C[C@@H](C1)O 2230a_100020629032_200025704644 [0,1,0,1,0,0|1,0,1]=4 2839 B7R1.10 [13CH3]SC1CC(=O)C1 62a_100009894365_200025704644 [0,1,0,1,0,0|0,1,0]=3 2840 B7R1.15 C[C@H]1[C@H](CN1C)O 2230a_206633788156_200000210301 [0,1,0,1,0,0|2,0,0]=4 2841 B7R1.15 C[C@H]1[C@H](CN1C)O 269982a_206633788156_200000210301 [0,1,0,1,0,0|2,0,0]=4 2842 B7R1.15 C[C@H]1[C@H](CN1[13CH3])O 2230a_206633788156_200025704644 [0,1,0,1,0,0|2,0,0]=4 2843 B7R1.15 C[C@H]1[C@H](CN1[13CH3])O 269982a_206633788156_200025704644 [0,1,0,1,0,0|2,0,0]=4 2844 B7R1.22 CCC(=O)C1CC1 1458a_100000210395_100000210202 [0,1,0,1,0,0|1,0,0]=3 2845 B7R1.22 CCC(=O)C1CO1 1458a_100000701028_100000210202 [0,1,0,1,0,0|0,0,0]=2 2846 B7R1.22 CNC(=O)C1CC1 11a_106832991635_100000210395 [0,1,0,1,0,0|1,0,0]=3 2847 B7R1.22 CNC(=O)C1CC1 1626a_100102657272_100000210395 [0,1,0,1,0,0|1,0,0]=3 2848 B7R1.22 CNC(=O)C1CC1 240690a_100102657272_100000210395 [0,1,0,1,0,0|1,0,0]=3 2849 B7R1.22 CNC(=O)C1CC1 527a_100102657272_100000210395 [0,1,0,1,0,0|1,0,0]=3 2850 B7R1.22 CNC(=O)C1CO1 11a_106832991635_100000701028 [0,1,0,1,0,0|0,0,0]=2 2851 B7R1.22 CNC(=O)C1CO1 1626a_100102657272_100000701028 [0,1,0,1,0,0|0,0,0]=2 2852 B7R1.22 CNC(=O)C1CO1 240690a_100102657272_100000701028 [0,1,0,1,0,0|0,0,0]=2 2853 B7R1.22 CNC(=O)C1CO1 527a_100102657272_100000701028 [0,1,0,1,0,0|0,0,0]=2 2854 B7R1.22 CNC(C)C1CO1 270004a_106832991635_100000031964 [0,1,0,1,0,0|1,0,1]=4 2855 B7R1.22 O=C(CF)C1CC1 1458a_100000210395_100015361967 [0,1,0,1,0,0|1,0,0]=3 2856 B7R1.22 O=C(CF)C1CO1 1458a_100000701028_100015361967 [0,1,0,1,0,0|0,0,0]=2 2857 B7R1.12 CC(=O)C1CC1C 1458a_100000211227_200000210301 [0,1,0,1,0,0|1,0,0]=3 2858 B7R1.12 CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200000210301 [0,1,0,1,0,0|1,0,0]=3 2859 B7R1.12 CC1CC1C(=O)[13CH3] 1458a_100000211227_200025704644 [0,1,0,1,0,0|1,0,0]=3 2860 B7R1.12 [13CH3]C(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200025704644 [0,1,0,1,0,0|1,0,0]=3 2861 B7R1.16 CC1(CN(C1)[13CH3])O 2230a_100000718560_200025704644 [0,1,0,1,0,0|2,0,0]=4 2862 B7R1.16 CC1(CN(C1)[13CH3])O 269982a_100000718560_200025704644 [0,1,0,1,0,0|2,0,0]=4 2863 B7R1.16 CN1CC(C1)(C)O 2230a_100000718560_200000210301 [0,1,0,1,0,0|2,0,0]=4 2864 B7R1.16 CN1CC(C1)(C)O 269982a_100000718560_200000210301 [0,1,0,1,0,0|2,0,0]=4 2865 B7R1.20 CC(=O)CC1CC1 1458a_100000070787_100000742324 [0,1,0,1,0,0|1,0,0]=3 2866 B7R1.20 CC(=O)CC1CC1 1458a_100000738066_200000210301 [0,1,0,1,0,0|1,0,0]=3 2867 B7R1.20 CC(=O)CC1CO1 1458a_100000070787_100011216344 [0,1,0,1,0,0|0,0,0]=2 2868 B7R1.20 CC(=O)CC1CS1 1458a_100000070787_100000031435 [0,1,0,1,0,0|0,1,0]=3 2869 B7R1.20 CC(=O)C[C@@H]1CO1 1458a_100000070787_100000745022 [0,1,0,1,0,0|0,0,0]=2 2870 B7R1.20 CC(=O)NC1CC1 1626a_100000212008_100015343762 [0,1,0,1,0,0|1,0,0]=3 2871 B7R1.20 CC(=O)NC1CC1 240690a_100000212008_100015343762 [0,1,0,1,0,0|1,0,0]=3 2872 B7R1.20 CC(=O)NC1CC1 527a_100000212008_100103153847 [0,1,0,1,0,0|1,0,0]=3 2873 B7R1.20 CN(C)CC1CO1 2230a_100102631434_100011216344 [0,1,0,1,0,0|2,0,0]=4 2874 B7R1.20 CN(C)CC1CO1 269982a_100102631434_102125554688 [0,1,0,1,0,0|2,0,0]=4 2875 B7R1.20 CN(C)C[C@@H]1CO1 269982a_100102631434_100000745022 [0,1,0,1,0,0|2,0,0]=4 2876 B7R1.20 [13CH3]C(=O)CC1CC1 1458a_100000738066_200025704644 [0,1,0,1,0,0|1,0,0]=3 2877 B7R1.18 CC(=O)C1CCC1 1458a_100000070787_100000749161 [0,1,0,1,0,0|1,0,0]=3 2878 B7R1.18 CC(=O)C1CCC1 1458a_100000209988_200000210301 [0,1,0,1,0,0|1,0,0]=3 2879 B7R1.18 CC(=O)C1CCO1 1458a_100000089072_200000210301 [0,1,0,1,0,0|0,0,0]=2 2880 B7R1.18 CC(=O)C1COC1 1458a_100000070787_100000687716 [0,1,0,1,0,0|0,0,0]=2 2881 B7R1.18 CC(=O)C1COC1 1458a_100000758290_200000210301 [0,1,0,1,0,0|0,0,0]=2 2882 B7R1.18 CC(=O)N1CCC1 11a_100000754969_100015343762 [0,1,0,1,0,0|1,0,0]=3 2883 B7R1.18 CC(=O)N1CCC1 240690a_100000754969_100015343762 [0,1,0,1,0,0|1,0,0]=3 2884 B7R1.18 CC(=O)N1CCC1 527a_100000754969_100103153847 [0,1,0,1,0,0|1,0,0]=3 2885 B7R1.18 CN(C)C1COC1 2230a_100102693430_200000210301 [0,1,0,1,0,0|2,0,0]=4 2886 B7R1.18 CN(C)C1COC1 269982a_100102631434_100000687716 [0,1,0,1,0,0|2,0,0]=4 2887 B7R1.18 CN(C)C1COC1 269982a_100102693430_200000210301 [0,1,0,1,0,0|2,0,0]=4 2888 B7R1.18 CN([13CH3])C1COC1 2230a_100102693430_200025704644 [0,1,0,1,0,0|2,0,0]=4 2889 B7R1.18 CN([13CH3])C1COC1 269982a_100102693430_200025704644 [0,1,0,1,0,0|2,0,0]=4 2890 B7R1.18 [13CH3]C(=O)C1CCC1 1458a_100000209988_200025704644 [0,1,0,1,0,0|1,0,0]=3 2891 B7R1.18 [13CH3]C(=O)C1CCO1 1458a_100000089072_200025704644 [0,1,0,1,0,0|0,0,0]=2 2892 B7R1.18 [13CH3]C(=O)C1COC1 1458a_100000758290_200025704644 [0,1,0,1,0,0|0,0,0]=2 2893 B7R1.19 CC(=O)C1(CC1)C 1458a_100000756474_200000210301 [0,1,0,1,0,0|1,0,0]=3 2894 B7R1.19 CC(=O)C1(CC1)F 1458a_100000055089_200000210301 [0,1,0,1,0,0|1,0,0]=3 2895 B7R1.19 CC(=O)C1(CC1)O 1458a_100000241761_200000210301 [0,1,0,1,0,0|1,0,0]=3 2896 B7R1.19 CC1(CC1)C(=O)[13CH3] 1458a_100000756474_200025704644 [0,1,0,1,0,0|1,0,0]=3 2897 B7R1.19 [13CH3]C(=O)C1(CC1)F 1458a_100000055089_200025704644 [0,1,0,1,0,0|1,0,0]=3 2898 B7R1.19 [13CH3]C(=O)C1(CC1)O 1458a_100000241761_200025704644 [0,1,0,1,0,0|1,0,0]=3 2899 B7R1.7 COCCC1CC1 34a_100000754188_200000210301 [0,1,0,1,0,0|1,0,1]=4 2900 B7R1.7 COCCC1CC1 34a_100138415774_100000694398 [0,1,0,1,0,0|1,0,1]=4 2901 B7R1.7 COCCC1CC1 7a_100000754188_200000210301 [0,1,0,1,0,0|1,0,1]=4 2902 B7R1.7 COCCC1CO1 34a_100138415774_100000732470 [0,1,0,1,0,0|0,0,2]=4 2903 B7R1.7 COCC[C@@H]1CO1 34a_100009820653_200000210301 [0,1,0,1,0,0|0,0,2]=4 2904 B7R1.7 OCCNC1CC1 34a_100000212008_100000211926 [0,1,0,1,0,0|1,0,1]=4 2905 B7R1.7 OCCNC1CC1 34a_100016990907_100000211595 [0,1,0,1,0,0|1,0,1]=4 2906 B7R1.7 OCCSC1CC1 62a_100000211926_100000211595 [0,1,0,1,0,0|1,0,1]=4 2907 B7R1.7 [13CH3]OCCC1CC1 34a_100000754188_200025704644 [0,1,0,1,0,0|1,0,1]=4 2908 B7R1.7 [13CH3]OCCC1CC1 7a_100000754188_200025704644 [0,1,0,1,0,0|1,0,1]=4 2909 B7R1.7 [13CH3]OCC[C@@H]1CO1 34a_100009820653_200025704644 [0,1,0,1,0,0|0,0,2]=4