0 B5R0.1 C#CCC(=O)C 1458a_100000070787_100000184674 [0,0,0,0,0,0|0,0,3]=3 1 B5R0.1 C#CCC(=O)C 1458a_100011220946_200000210301 [0,0,0,0,0,0|0,0,3]=3 2 B5R0.1 C#CCC(=O)[13CH3] 1458a_100011220946_200025704644 [0,0,0,0,0,0|0,0,3]=3 3 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [0,0,0,0,0,0|2,0,1]=3 8 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [0,0,0,0,0,0|2,0,1]=3 9 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [0,0,0,0,0,0|2,0,1]=3 10 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [0,0,0,0,0,0|2,0,1]=3 11 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [0,0,0,0,0,0|2,0,1]=3 12 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [0,0,0,0,0,0|2,0,1]=3 13 B5R0.1 C=C(F)CNC 2230a_106832991635_100009893438 [0,0,0,0,0,0|2,0,2]=4 14 B5R0.1 C=C(F)CNC 34a_100102657272_100009893438 [0,0,0,0,0,0|2,0,2]=4 15 B5R0.1 C=C(F)CNC 7a_106832991635_100000042424 [0,0,0,0,0,0|2,0,2]=4 16 B5R0.1 C=C(F)COC 34a_100138415774_100009893438 [0,0,0,0,0,0|2,0,2]=4 17 B5R0.1 C=C(F)COC 34a_200010262243_200000210301 [0,0,0,0,0,0|2,0,2]=4 18 B5R0.1 C=C(F)CO[13CH3] 34a_200010262243_200025704644 [0,0,0,0,0,0|2,0,2]=4 19 B5R0.1 C=C(F)CSC 62a_100000042424_200000210301 [0,0,0,0,0,0|2,0,2]=4 20 B5R0.1 C=C(F)CSC 62a_200000210301_100000042424 [0,0,0,0,0,0|2,0,2]=4 21 B5R0.1 C=C(F)CS[13CH3] 62a_100000042424_200025704644 [0,0,0,0,0,0|2,0,2]=4 22 B5R0.1 C=C(F)CS[13CH3] 62a_200025704644_100000042424 [0,0,0,0,0,0|2,0,2]=4 23 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [0,0,0,0,0,0|0,0,2]=2 24 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [0,0,0,0,0,0|0,0,2]=2 25 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [0,0,0,0,0,0|0,0,2]=2 26 B5R0.1 C=CCN(C)C 2230a_100000225617_200000210301 [0,0,0,0,0,0|2,0,2]=4 27 B5R0.1 C=CCN(C)C 2230a_100102631434_100000210623 [0,0,0,0,0,0|2,0,2]=4 28 B5R0.1 C=CCN(C)C 269982a_100000225617_200000210301 [0,0,0,0,0,0|2,0,2]=4 29 B5R0.1 C=CCN(C)C 269982a_100102631434_100000210623 [0,0,0,0,0,0|2,0,2]=4 30 B5R0.1 C=CCN(C)[13CH3] 2230a_100000225617_200025704644 [0,0,0,0,0,0|2,0,2]=4 31 B5R0.1 C=CCN(C)[13CH3] 269982a_100000225617_200025704644 [0,0,0,0,0,0|2,0,2]=4 32 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [0,0,0,0,0,0|0,0,2]=2 33 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [0,0,0,0,0,0|0,0,2]=2 34 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [0,0,0,0,0,0|1,0,0]=1 35 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [0,0,0,0,0,0|1,0,0]=1 36 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [0,0,0,0,0,0|1,0,0]=1 37 B5R0.1 CC(=O)CC#N 1458a_100000070787_100011214920 [0,0,0,0,0,0|1,0,2]=3 38 B5R0.1 CC(=O)CC#N 1458a_100051588842_200000210301 [0,0,0,0,0,0|1,0,2]=3 39 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [0,0,0,0,0,0|1,0,2]=3 40 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [0,0,0,0,0,0|1,0,2]=3 41 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [0,0,0,0,0,0|1,0,2]=3 42 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [0,0,0,0,0,0|1,0,1]=2 43 B5R0.1 CC(Br)CO[13CH3] 34a_100012180447_200025704644 [0,0,0,0,0,0|2,0,2]=4 44 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [0,0,0,0,0,0|2,0,2]=4 45 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [0,0,0,0,0,0|2,0,2]=4 46 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [0,0,0,0,0,0|2,0,2]=4 47 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [0,0,0,0,0,0|2,0,2]=4 48 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [0,0,0,0,0,0|2,0,2]=4 49 B5R0.1 CC(F)CO[13CH3] 34a_100015925927_200025704644 [0,0,0,0,0,0|2,0,2]=4 50 B5R0.1 CC(O)CN[13CH3] 2230a_100000210904_200025704644 [0,0,0,0,0,0|1,0,3]=4 51 B5R0.1 CC(O)CN[13CH3] 34a_100000210904_200025704644 [0,0,0,0,0,0|1,0,3]=4 52 B5R0.1 CC(O)CS[13CH3] 62a_100011218427_200025704644 [0,0,0,0,0,0|1,0,3]=4 53 B5R0.1 CC(O)CS[13CH3] 62a_200025704644_100011218427 [0,0,0,0,0,0|1,0,3]=4 54 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [0,0,0,0,0,0|0,0,0]=0 55 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [0,0,0,0,0,0|0,0,0]=0 56 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [0,0,0,0,0,0|0,0,2]=2 57 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [0,0,0,0,0,0|0,0,2]=2 58 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [0,0,0,0,0,0|0,0,2]=2 59 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [0,0,0,0,0,0|2,0,2]=4 60 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [0,0,0,0,0,0|2,0,2]=4 61 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [0,0,0,0,0,0|2,0,2]=4 62 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [0,0,0,0,0,0|2,0,2]=4 63 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [0,0,0,0,0,0|2,0,2]=4 64 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [0,0,0,0,0,0|2,0,2]=4 65 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [0,0,0,0,0,0|1,0,1]=2 66 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [0,0,0,0,0,0|1,0,1]=2 67 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [0,0,0,0,0,0|1,0,1]=2 68 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [0,0,0,0,0,0|2,0,2]=4 69 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [0,0,0,0,0,0|2,0,2]=4 70 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [0,0,0,0,0,0|2,0,2]=4 71 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [0,0,0,0,0,0|2,0,2]=4 72 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [0,0,0,0,0,0|2,0,2]=4 73 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [0,0,0,0,0,0|2,0,2]=4 74 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [0,0,0,0,0,0|2,0,2]=4 75 B5R0.1 CN(C)CC=O 2230a_100102631434_200015260668 [0,0,0,0,0,0|3,0,1]=4 76 B5R0.1 CN(C)CC=O 269982a_100102631434_200015260668 [0,0,0,0,0,0|3,0,1]=4 77 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [0,0,0,0,0,0|2,0,1]=3 78 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [0,0,0,0,0,0|2,0,1]=3 79 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [0,0,0,0,0,0|2,0,1]=3 80 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [0,0,0,0,0,0|2,0,1]=3 81 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [0,0,0,0,0,0|2,0,1]=3 82 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [0,0,0,0,0,0|2,0,1]=3 83 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [0,0,0,0,0,0|2,0,2]=4 84 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [0,0,0,0,0,0|2,0,2]=4 85 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [0,0,0,0,0,0|2,0,2]=4 86 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [0,0,0,0,0,0|2,0,2]=4 87 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [0,0,0,0,0,0|2,0,2]=4 88 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [0,0,0,0,0,0|2,0,2]=4 89 B5R0.1 CNCC(C)O 2230a_100000210904_200000210301 [0,0,0,0,0,0|1,0,3]=4 90 B5R0.1 CNCC(C)O 2230a_106832991635_100011218427 [0,0,0,0,0,0|1,0,3]=4 91 B5R0.1 CNCC(C)O 34a_100000210904_200000210301 [0,0,0,0,0,0|1,0,3]=4 92 B5R0.1 CNCC(C)O 34a_100102657272_100011218427 [0,0,0,0,0,0|1,0,3]=4 93 B5R0.1 CNCC(C)O 7a_106832991635_100011218427 [0,0,0,0,0,0|1,0,3]=4 94 B5R0.1 CNC[C@@H](C)O 2230a_106832991635_100009817552 [0,0,0,0,0,0|1,0,3]=4 95 B5R0.1 CNC[C@@H](C)O 34a_100102657272_100009817552 [0,0,0,0,0,0|1,0,3]=4 96 B5R0.1 CNC[C@@H](C)O 7a_106832991635_100009817552 [0,0,0,0,0,0|1,0,3]=4 97 B5R0.1 CNC[N+](=O)[O-] 34a_100102657272_100000761209 [0,0,0,0,0,0|3,0,1]=4 98 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [0,0,0,0,0,0|2,0,0]=2 99 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [0,0,0,0,0,0|1,0,1]=2 100 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [0,0,0,0,0,0|1,0,1]=2 101 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [0,0,0,0,0,0|2,0,1]=3 102 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [0,0,0,0,0,0|1,0,1]=2 103 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [0,0,0,0,0,0|2,0,1]=3 104 B5R0.1 COCC(C)Br 34a_100012180447_200000210301 [0,0,0,0,0,0|2,0,2]=4 105 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [0,0,0,0,0,0|2,0,2]=4 106 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [0,0,0,0,0,0|2,0,2]=4 107 B5R0.1 COCC(C)F 34a_100015925927_200000210301 [0,0,0,0,0,0|2,0,2]=4 108 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [0,0,0,0,0,0|1,0,3]=4 109 B5R0.1 COCN(C)C 2230a_100102631434_100000766300 [0,0,0,0,0,0|3,0,1]=4 110 B5R0.1 COCN(C)C 269982a_100102631434_100000766300 [0,0,0,0,0,0|3,0,1]=4 111 B5R0.1 COC[C@@H](C)Cl 34a_100016084084_200000210301 [0,0,0,0,0,0|2,0,2]=4 112 B5R0.1 COC[C@@H](C)N 34a_100000737577_200000210301 [0,0,0,0,0,0|2,0,2]=4 113 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [0,0,0,0,0,0|1,0,3]=4 114 B5R0.1 COC[N+](=O)[O-] 34a_100138415774_100000761209 [0,0,0,0,0,0|3,0,1]=4 115 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [0,0,0,0,0,0|1,0,1]=2 116 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [0,0,0,0,0,0|2,0,1]=3 117 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [0,0,0,0,0,0|2,0,1]=3 118 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [0,0,0,0,0,0|1,0,1]=2 119 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [0,0,0,0,0,0|2,0,1]=3 120 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [0,0,0,0,0,0|2,0,1]=3 121 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [0,0,0,0,0,0|2,0,2]=4 122 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [0,0,0,0,0,0|2,0,2]=4 123 B5R0.1 CSCC(C)O 62a_100011218427_200000210301 [0,0,0,0,0,0|1,0,3]=4 124 B5R0.1 CSCC(C)O 62a_200000210301_100011218427 [0,0,0,0,0,0|1,0,3]=4 125 B5R0.1 CSCN(C)C 2230a_100102631434_100011218213 [0,0,0,0,0,0|3,0,1]=4 126 B5R0.1 CSCN(C)C 269982a_100102631434_100011218213 [0,0,0,0,0,0|3,0,1]=4 127 B5R0.1 CSC[C@@H](C)O 62a_100009817552_200000210301 [0,0,0,0,0,0|1,0,3]=4 128 B5R0.1 CSC[C@@H](C)O 62a_200000210301_100009817552 [0,0,0,0,0,0|1,0,3]=4 129 B5R0.1 CSC[N+](=O)[O-] 62a_200000210301_100000761209 [0,0,0,0,0,0|3,0,1]=4 130 B5R0.1 C[C@@H](Cl)CO[13CH3] 34a_100016084084_200025704644 [0,0,0,0,0,0|2,0,2]=4 131 B5R0.1 C[C@@H](N)CO[13CH3] 34a_100000737577_200025704644 [0,0,0,0,0,0|2,0,2]=4 132 B5R0.1 C[C@@H](O)CS[13CH3] 62a_100009817552_200025704644 [0,0,0,0,0,0|1,0,3]=4 133 B5R0.1 C[C@@H](O)CS[13CH3] 62a_200025704644_100009817552 [0,0,0,0,0,0|1,0,3]=4 134 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [0,0,0,0,0,0|1,0,0]=1 135 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [0,0,0,0,0,0|1,0,0]=1 136 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [0,0,0,0,0,0|1,0,0]=1 137 B5R0.1 [13CH3]C(=O)CC#N 1458a_100051588842_200025704644 [0,0,0,0,0,0|1,0,2]=3 138 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [0,0,0,0,0,0|1,0,2]=3 139 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [0,0,0,0,0,0|2,0,1]=3 140 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [0,0,0,0,0,0|2,0,1]=3 141 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [0,0,0,0,0,0|2,0,1]=3 142 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [0,0,0,0,0,0|2,0,1]=3 143 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [0,0,0,0,0,0|2,0,1]=3 144 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [0,0,0,0,0,0|2,0,1]=3 145 B5R0.1 [13CH3]SC[N+](=O)[O-] 62a_200025704644_100000761209 [0,0,0,0,0,0|3,0,1]=4 146 B4R0.1 C#CC(=O)C 1458a_100000211873_200000210301 [1,0,0,0,0,0|0,0,2]=3 147 B4R0.1 C#CC(=O)[13CH3] 1458a_100000211873_200025704644 [1,0,0,0,0,0|0,0,2]=3 148 B4R0.1 C=CC(=O)C 1458a_100000185746_200000210301 [1,0,0,0,0,0|0,0,0]=1 149 B4R0.1 C=CC(=O)[13CH3] 1458a_100000185746_200025704644 [1,0,0,0,0,0|0,0,0]=1 150 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [1,0,0,0,0,0|1,0,1]=3 151 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [1,0,0,0,0,0|1,0,1]=3 152 B4R0.1 CC(C)N[13CH3] 2230a_100138425928_200025704644 [1,0,0,0,0,0|2,0,1]=4 153 B4R0.1 CC(C)N[13CH3] 34a_100138425928_200025704644 [1,0,0,0,0,0|2,0,1]=4 154 B4R0.1 CC(C)O[13CH3] 34a_100000212225_200025704644 [1,0,0,0,0,0|2,0,1]=4 155 B4R0.1 CC(C)S[13CH3] 62a_100000210206_200025704644 [1,0,0,0,0,0|2,0,1]=4 156 B4R0.1 CC(C)S[13CH3] 62a_200025704644_100000210206 [1,0,0,0,0,0|2,0,1]=4 157 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [1,0,0,0,0,0|0,0,1]=2 158 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [1,0,0,0,0,0|0,0,1]=2 159 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [1,0,0,0,0,0|0,0,1]=2 160 B4R0.1 CCN(C)C 2230a_100000225621_200000210301 [1,0,0,0,0,0|2,0,1]=4 161 B4R0.1 CCN(C)C 2230a_100102631434_100000210202 [1,0,0,0,0,0|2,0,1]=4 162 B4R0.1 CCN(C)C 269982a_100000225621_200000210301 [1,0,0,0,0,0|2,0,1]=4 163 B4R0.1 CCN(C)C 269982a_100102631434_100000204670 [1,0,0,0,0,0|2,0,1]=4 164 B4R0.1 CCN(C)[13CH3] 2230a_100000225621_200025704644 [1,0,0,0,0,0|2,0,1]=4 165 B4R0.1 CCN(C)[13CH3] 269982a_100000225621_200025704644 [1,0,0,0,0,0|2,0,1]=4 166 B4R0.1 CNC(=O)C 11a_106832991635_100015343762 [1,0,0,0,0,0|1,0,0]=2 167 B4R0.1 CNC(=O)C 1626a_100102657272_100015343762 [1,0,0,0,0,0|1,0,0]=2 168 B4R0.1 CNC(=O)C 240690a_100102657272_100015343762 [1,0,0,0,0,0|1,0,0]=2 169 B4R0.1 CNC(=O)C 527a_100102657272_100103153847 [1,0,0,0,0,0|1,0,0]=2 170 B4R0.1 CNC(C)C 2230a_100138425928_200000210301 [1,0,0,0,0,0|2,0,1]=4 171 B4R0.1 CNC(C)C 2230a_106832991635_100000210206 [1,0,0,0,0,0|2,0,1]=4 172 B4R0.1 CNC(C)C 34a_100102657272_100000210206 [1,0,0,0,0,0|2,0,1]=4 173 B4R0.1 CNC(C)C 34a_100138425928_200000210301 [1,0,0,0,0,0|2,0,1]=4 174 B4R0.1 CNC(C)C 7a_106832991635_100000210206 [1,0,0,0,0,0|2,0,1]=4 175 B4R0.1 COC(C)C 34a_100000212225_200000210301 [1,0,0,0,0,0|2,0,1]=4 176 B4R0.1 COC(C)C 34a_100138415774_100000210206 [1,0,0,0,0,0|2,0,1]=4 177 B4R0.1 CSC(C)C 62a_100000210206_200000210301 [1,0,0,0,0,0|2,0,1]=4 178 B4R0.1 CSC(C)C 62a_200000210301_100000210206 [1,0,0,0,0,0|2,0,1]=4 179 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [1,0,0,0,0,0|1,0,1]=3 180 B4R0.2 C=CCNC 2230a_100020586998_200000210301 [1,0,0,0,0,0|1,0,2]=4 181 B4R0.2 C=CCNC 2230a_106832991635_100000210623 [1,0,0,0,0,0|1,0,2]=4 182 B4R0.2 C=CCNC 34a_100102657272_100015514636 [1,0,0,0,0,0|1,0,2]=4 183 B4R0.2 C=CCNC 7a_106832991635_100015514636 [1,0,0,0,0,0|1,0,2]=4 184 B4R0.2 C=CCN[13CH3] 2230a_100020586998_200025704644 [1,0,0,0,0,0|1,0,2]=4 185 B4R0.2 C=CCOC 34a_100138415774_100015514636 [1,0,0,0,0,0|1,0,2]=4 186 B4R0.2 C=CCOC 34a_200000210373_200000210301 [1,0,0,0,0,0|1,0,2]=4 187 B4R0.2 C=CCO[13CH3] 34a_200000210373_200025704644 [1,0,0,0,0,0|1,0,2]=4 188 B4R0.2 C=CCSC 62a_100000210623_200000210301 [1,0,0,0,0,0|1,0,2]=4 189 B4R0.2 C=CCSC 62a_200000210301_100000210623 [1,0,0,0,0,0|1,0,2]=4 190 B4R0.2 C=CCS[13CH3] 62a_100000210623_200025704644 [1,0,0,0,0,0|1,0,2]=4 191 B4R0.2 C=CCS[13CH3] 62a_200025704644_100000210623 [1,0,0,0,0,0|1,0,2]=4 192 B4R0.2 CCCNC 2230a_106832991635_100000210303 [1,0,0,0,0,0|1,0,2]=4 193 B4R0.2 CCCNC 34a_100102657272_100000210303 [1,0,0,0,0,0|1,0,2]=4 194 B4R0.2 CCCNC 7a_106832991635_100000210303 [1,0,0,0,0,0|1,0,2]=4 195 B4R0.2 CCCOC 34a_100000210258_200000210301 [1,0,0,0,0,0|1,0,2]=4 196 B4R0.2 CCCOC 34a_100138415774_100000210303 [1,0,0,0,0,0|1,0,2]=4 197 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [1,0,0,0,0,0|1,0,2]=4 198 B4R0.2 CCCSC 62a_100000210303_200000210301 [1,0,0,0,0,0|1,0,2]=4 199 B4R0.2 CCCSC 62a_200000210301_100000210303 [1,0,0,0,0,0|1,0,2]=4 200 B4R0.2 CCCS[13CH3] 62a_100000210303_200025704644 [1,0,0,0,0,0|1,0,2]=4 201 B4R0.2 CCCS[13CH3] 62a_200025704644_100000210303 [1,0,0,0,0,0|1,0,2]=4 202 B4R0.2 CCNCC 2230a_100015525214_100000210202 [1,0,0,0,0,0|1,0,2]=4 203 B4R0.2 CCOCC 34a_100121572206_100000210202 [1,0,0,0,0,0|1,0,2]=4 204 B4R0.2 CCSCC 62a_100000210202_100000210202 [1,0,0,0,0,0|1,0,2]=4 205 B4R0.2 CNCC=O 2230a_106832991635_200015260668 [1,0,0,0,0,0|1,0,1]=3 206 B4R0.2 CNCC=O 34a_100102657272_200009817547 [1,0,0,0,0,0|1,0,1]=3 207 B4R0.2 CNCC=O 7a_106832991635_200015260668 [1,0,0,0,0,0|1,0,1]=3 208 B4R0.2 CNCOC 2230a_106832991635_100000766300 [1,0,0,0,0,0|2,0,1]=4 209 B4R0.2 CNCSC 2230a_106832991635_100011218213 [1,0,0,0,0,0|2,0,1]=4 210 B4R0.2 CNCSC 34a_100102657272_100011218213 [1,0,0,0,0,0|2,0,1]=4 211 B4R0.2 COCC=O 34a_100138415774_200009817547 [1,0,0,0,0,0|1,0,1]=3 212 B4R0.2 COCSC 34a_100138415774_100011218213 [1,0,0,0,0,0|2,0,1]=4 213 B4R0.2 COCSC 62a_100000766300_200000210301 [1,0,0,0,0,0|2,0,1]=4 214 B4R0.2 COCSC 62a_200000210301_100000766300 [1,0,0,0,0,0|2,0,1]=4 215 B4R0.2 COCS[13CH3] 62a_100000766300_200025704644 [1,0,0,0,0,0|2,0,1]=4 216 B4R0.2 COCS[13CH3] 62a_200025704644_100000766300 [1,0,0,0,0,0|2,0,1]=4 217 B4R0.2 CSCC=O 62a_200000210301_200015260668 [1,0,0,0,0,0|1,0,1]=3 218 B4R0.2 CSCC=O 62a_200015260668_200000210301 [1,0,0,0,0,0|1,0,1]=3 219 B4R0.2 CSCSC 62a_100011218213_200000210301 [1,0,0,0,0,0|2,0,1]=4 220 B4R0.2 CSCSC 62a_200000210301_100011218213 [1,0,0,0,0,0|2,0,1]=4 221 B4R0.2 CSCS[13CH3] 62a_100011218213_200025704644 [1,0,0,0,0,0|2,0,1]=4 222 B4R0.2 CSCS[13CH3] 62a_200025704644_100011218213 [1,0,0,0,0,0|2,0,1]=4 223 B4R0.2 [13CH3]SCC=O 62a_200015260668_200025704644 [1,0,0,0,0,0|1,0,1]=3 224 B4R0.2 [13CH3]SCC=O 62a_200025704644_200015260668 [1,0,0,0,0,0|1,0,1]=3 225 B6R0.1 C#CC(=O)CC=C 1458a_100000211873_100000210623 [0,1,0,0,0,0|0,0,3]=4 226 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [0,1,0,0,0,0|0,0,3]=4 227 B6R0.1 C#CCC(=O)CC 1458a_100000210414_100000184674 [0,1,0,0,0,0|0,0,3]=4 228 B6R0.1 C#CCC(=O)CC 1458a_100011220946_100000210202 [0,1,0,0,0,0|0,0,3]=4 229 B6R0.1 C#CCC(=O)CF 1458a_100011220946_100015361967 [0,1,0,0,0,0|0,0,3]=4 230 B6R0.1 C#CCC(=O)CO 1458a_100000210174_100000184674 [0,1,0,0,0,0|0,0,3]=4 231 B6R0.1 C#CCC(=O)NC 1626a_100102657272_100011220946 [0,1,0,0,0,0|0,0,3]=4 232 B6R0.1 C#CCC(=O)NC 527a_100102657272_100011220946 [0,1,0,0,0,0|0,0,3]=4 233 B6R0.1 C/C=C/C(C)OC 34a_200102604097_200000210301 [0,1,0,0,0,0|0,0,2]=3 234 B6R0.1 C/C=C/C(C)O[13CH3] 34a_200102604097_200025704644 [0,1,0,0,0,0|0,0,2]=3 235 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [0,1,0,0,0,0|0,0,3]=4 236 B6R0.1 C=CC(=O)NCC 240690a_100015525214_200121576911 [0,1,0,0,0,0|1,0,2]=4 237 B6R0.1 C=CC(=O)NNC 22a_100016993582_100000185746 [0,1,0,0,0,0|2,0,1]=4 238 B6R0.1 C=CCC(=O)C=C 1458a_100000185746_100000210623 [0,1,0,0,0,0|0,0,3]=4 239 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [0,1,0,0,0,0|0,0,2]=3 240 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [0,1,0,0,0,0|0,0,2]=3 241 B6R0.1 C=CCC(=O)CF 1458a_100000210193_100015361967 [0,1,0,0,0,0|0,0,2]=3 242 B6R0.1 C=CCC(=O)CO 1458a_100000210174_100000210623 [0,1,0,0,0,0|0,0,2]=3 243 B6R0.1 C=CCC(=O)NC 11a_106832991635_100000210193 [0,1,0,0,0,0|0,0,2]=3 244 B6R0.1 C=CCC(=O)NC 1626a_100102657272_100000210193 [0,1,0,0,0,0|0,0,2]=3 245 B6R0.1 C=CCC(=O)NC 240690a_100102657272_100000210193 [0,1,0,0,0,0|0,0,2]=3 246 B6R0.1 C=CCC(=O)NC 527a_100102657272_100000210193 [0,1,0,0,0,0|0,0,2]=3 247 B6R0.1 CC#CC(=O)CC 1458a_100000763181_100000210202 [0,1,0,0,0,0|0,0,2]=3 248 B6R0.1 CC#CC(=O)CF 1458a_100000763181_100015361967 [0,1,0,0,0,0|0,0,2]=3 249 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [0,1,0,0,0,0|0,0,0]=1 250 B6R0.1 CC=CC(=O)CF 1458a_100000210699_100015361967 [0,1,0,0,0,0|0,0,0]=1 251 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [0,1,0,0,0,0|0,0,0]=1 252 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [0,1,0,0,0,0|0,0,0]=1 253 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [0,1,0,0,0,0|0,0,0]=1 254 B6R0.1 CCC(=O)C=CBr 1458a_100016273825_100000210202 [0,1,0,0,0,0|1,0,0]=2 255 B6R0.1 CCC(=O)C=CCl 1458a_200016279998_100000210202 [0,1,0,0,0,0|1,0,0]=2 256 B6R0.1 CCC(=O)C=CI 1458a_100016256311_100000210202 [0,1,0,0,0,0|1,0,0]=2 257 B6R0.1 CCC(=O)CC#N 1458a_100000210414_100011214920 [0,1,0,0,0,0|1,0,2]=4 258 B6R0.1 CCC(=O)CC#N 1458a_100051588842_100000210202 [0,1,0,0,0,0|1,0,2]=4 259 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [0,1,0,0,0,0|1,0,2]=4 260 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [0,1,0,0,0,0|1,0,2]=4 261 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [0,1,0,0,0,0|1,0,2]=4 262 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [0,1,0,0,0,0|1,0,1]=3 263 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [0,1,0,0,0,0|1,0,1]=3 264 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [0,1,0,0,0,0|1,0,1]=3 265 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [0,1,0,0,0,0|1,0,1]=3 266 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [0,1,0,0,0,0|1,0,1]=3 267 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [0,1,0,0,0,0|1,0,1]=3 268 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [0,1,0,0,0,0|1,0,1]=3 269 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [0,1,0,0,0,0|1,0,1]=3 270 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [0,1,0,0,0,0|1,0,1]=3 271 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [0,1,0,0,0,0|2,0,0]=3 272 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [0,1,0,0,0,0|0,0,2]=3 273 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [0,1,0,0,0,0|0,0,2]=3 274 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [0,1,0,0,0,0|0,0,2]=3 275 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [0,1,0,0,0,0|0,0,2]=3 276 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [0,1,0,0,0,0|0,0,2]=3 277 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [0,1,0,0,0,0|0,0,2]=3 278 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [0,1,0,0,0,0|0,0,2]=3 279 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [0,1,0,0,0,0|0,0,2]=3 280 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [0,1,0,0,0,0|1,0,1]=3 281 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [0,1,0,0,0,0|1,0,1]=3 282 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [0,1,0,0,0,0|1,0,1]=3 283 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [0,1,0,0,0,0|1,0,1]=3 284 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [0,1,0,0,0,0|1,0,1]=3 285 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [0,1,0,0,0,0|1,0,1]=3 286 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [0,1,0,0,0,0|1,0,1]=3 287 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [0,1,0,0,0,0|1,0,1]=3 288 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [0,1,0,0,0,0|1,0,1]=3 289 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [0,1,0,0,0,0|1,0,1]=3 290 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [0,1,0,0,0,0|1,0,1]=3 291 B6R0.1 CNC(=O)C=CBr 1626a_100102657272_100016273825 [0,1,0,0,0,0|1,0,0]=2 292 B6R0.1 CNC(=O)C=CBr 240690a_100102657272_100016273825 [0,1,0,0,0,0|1,0,0]=2 293 B6R0.1 CNC(=O)C=CCl 11a_106832991635_200016279998 [0,1,0,0,0,0|1,0,0]=2 294 B6R0.1 CNC(=O)C=CCl 1626a_100102657272_200016279998 [0,1,0,0,0,0|1,0,0]=2 295 B6R0.1 CNC(=O)C=CCl 240690a_100102657272_200016279998 [0,1,0,0,0,0|1,0,0]=2 296 B6R0.1 CNC(=O)C=CI 1626a_100102657272_100016256311 [0,1,0,0,0,0|1,0,0]=2 297 B6R0.1 CNC(=O)CC#N 1626a_100102657272_100051588842 [0,1,0,0,0,0|1,0,2]=4 298 B6R0.1 CNC(=O)CC#N 240690a_100102657272_100051588842 [0,1,0,0,0,0|1,0,2]=4 299 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [0,1,0,0,0,0|1,0,2]=4 300 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [0,1,0,0,0,0|1,0,1]=3 301 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [0,1,0,0,0,0|1,0,1]=3 302 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [0,1,0,0,0,0|1,0,1]=3 303 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [0,1,0,0,0,0|1,0,1]=3 304 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [0,1,0,0,0,0|1,0,1]=3 305 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [0,1,0,0,0,0|1,0,1]=3 306 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [0,1,0,0,0,0|1,0,1]=3 307 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [0,1,0,0,0,0|1,0,1]=3 308 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [0,1,0,0,0,0|1,0,1]=3 309 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [0,1,0,0,0,0|1,0,1]=3 310 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [0,1,0,0,0,0|1,0,1]=3 311 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [0,1,0,0,0,0|1,0,1]=3 312 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [0,1,0,0,0,0|1,0,1]=3 313 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [0,1,0,0,0,0|1,0,1]=3 314 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [0,1,0,0,0,0|1,0,1]=3 315 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [0,1,0,0,0,0|1,0,1]=3 316 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [0,1,0,0,0,0|1,0,1]=3 317 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [0,1,0,0,0,0|1,0,1]=3 318 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [0,1,0,0,0,0|1,0,1]=3 319 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [0,1,0,0,0,0|1,0,1]=3 320 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [0,1,0,0,0,0|1,0,1]=3 321 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [0,1,0,0,0,0|1,0,1]=3 322 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [0,1,0,0,0,0|1,0,1]=3 323 B6R0.1 CNNC(=O)CO 22a_100016993582_100000210174 [0,1,0,0,0,0|2,0,0]=3 324 B6R0.1 CNNC(=O)NC 273464a_100102657272_100016993582 [0,1,0,0,0,0|2,0,0]=3 325 B6R0.1 CNNC(=O)NC 512a_100016993582_100102657272 [0,1,0,0,0,0|2,0,0]=3 326 B6R0.1 CNNC(=O)NC 512a_106832991638_100016993582 [0,1,0,0,0,0|2,0,0]=3 327 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [0,1,0,0,0,0|1,0,1]=3 328 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [0,1,0,0,0,0|1,0,1]=3 329 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [0,1,0,0,0,0|1,0,1]=3 330 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [0,1,0,0,0,0|1,0,1]=3 331 B6R0.1 COCC(=O)CF 1458a_100000210968_100015361967 [0,1,0,0,0,0|1,0,1]=3 332 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [0,1,0,0,0,0|1,0,1]=3 333 B6R0.1 CSCC(=O)CF 1458a_100000184570_100015361967 [0,1,0,0,0,0|1,0,1]=3 334 B6R0.1 N#CCC(=O)CF 1458a_100051588842_100015361967 [0,1,0,0,0,0|1,0,2]=4 335 B6R0.1 N#CCC(=O)CO 1458a_100000210174_100011214920 [0,1,0,0,0,0|1,0,2]=4 336 B6R0.1 O=C(C=CBr)CF 1458a_100016273825_100015361967 [0,1,0,0,0,0|1,0,0]=2 337 B6R0.1 O=C(C=CCl)CF 1458a_200016279998_100015361967 [0,1,0,0,0,0|1,0,0]=2 338 B6R0.1 O=C(C=CI)CF 1458a_100016256311_100015361967 [0,1,0,0,0,0|1,0,0]=2 339 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [0,1,0,0,0,0|1,0,2]=4 340 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [0,1,0,0,0,0|1,0,2]=4 341 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [0,1,0,0,0,0|1,0,2]=4 342 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [0,1,0,0,0,0|0,0,1]=2 343 B6R0.2 C=C(C)CN(C)C 2230a_100000225649_200000210301 [0,1,0,0,0,0|2,0,1]=4 344 B6R0.2 C=C(C)CN(C)C 2230a_100102631434_100000748629 [0,1,0,0,0,0|2,0,1]=4 345 B6R0.2 C=C(C)CN(C)C 269982a_100000225649_200000210301 [0,1,0,0,0,0|2,0,1]=4 346 B6R0.2 C=C(C)CN(C)C 269982a_100102631434_100000748629 [0,1,0,0,0,0|2,0,1]=4 347 B6R0.2 C=C(C)CN(C)[13CH3] 2230a_100000225649_200025704644 [0,1,0,0,0,0|2,0,1]=4 348 B6R0.2 C=C(C)CN(C)[13CH3] 269982a_100000225649_200025704644 [0,1,0,0,0,0|2,0,1]=4 349 B6R0.2 C=C(F)CC(=O)C 1458a_100000070787_100009893438 [0,1,0,0,0,0|0,0,2]=3 350 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [0,1,0,0,0,0|0,0,0]=1 351 B6R0.2 CC(=CC(=O)[13CH3])Cl 1458a_200042562850_200025704644 [0,1,0,0,0,0|0,0,0]=1 352 B6R0.2 CC(=CC(=O)[13CH3])I 1458a_100025716642_200025704644 [0,1,0,0,0,0|0,0,0]=1 353 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [0,1,0,0,0,0|0,0,0]=1 354 B6R0.2 CC(=O)C=C(C)Cl 1458a_200042562850_200000210301 [0,1,0,0,0,0|0,0,0]=1 355 B6R0.2 CC(=O)C=C(C)I 1458a_100025716642_200000210301 [0,1,0,0,0,0|0,0,0]=1 356 B6R0.2 CC(=O)C=C(Cl)Cl 1458a_100000137448_200000210301 [0,1,0,0,0,0|1,0,0]=2 357 B6R0.2 CC(=O)CC(=O)N 1458a_100000070787_100000187820 [0,1,0,0,0,0|1,0,1]=3 358 B6R0.2 CC(=O)CC(=O)N 1458a_100134613110_200000210301 [0,1,0,0,0,0|1,0,1]=3 359 B6R0.2 CC(=O)CC(=O)[O-] 1458a_100000070787_100020667443 [0,1,0,0,0,0|1,0,1]=3 360 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [0,1,0,0,0,0|0,0,2]=3 361 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [0,1,0,0,0,0|0,0,2]=3 362 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [0,1,0,0,0,0|0,0,2]=3 363 B6R0.2 CC(=O)CC(F)F 1458a_100000070787_100011934356 [0,1,0,0,0,0|1,0,2]=4 364 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [0,1,0,0,0,0|1,0,1]=3 365 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [0,1,0,0,0,0|0,0,2]=3 366 B6R0.2 CC(=O)C[N+](=O)[O-] 1458a_100000070787_100000761209 [0,1,0,0,0,0|2,0,1]=4 367 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [0,1,0,0,0,0|1,0,1]=3 368 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [0,1,0,0,0,0|1,0,1]=3 369 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [0,1,0,0,0,0|1,0,1]=3 370 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [0,1,0,0,0,0|1,0,1]=3 371 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [0,1,0,0,0,0|1,0,1]=3 372 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [0,1,0,0,0,0|0,0,2]=3 373 B6R0.2 CN(C)CC(=O)N 2230a_100000739694_200000210301 [0,1,0,0,0,0|2,0,1]=4 374 B6R0.2 CN(C)CC(=O)N 2230a_100102631434_100000747473 [0,1,0,0,0,0|2,0,1]=4 375 B6R0.2 CN(C)CC(=O)N 269982a_100102631434_100000187820 [0,1,0,0,0,0|2,0,1]=4 376 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [0,1,0,0,0,0|2,0,1]=4 377 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [0,1,0,0,0,0|1,0,1]=3 378 B6R0.2 CN(C)CC(=O)[O-] 269982a_100102631434_100020667443 [0,1,0,0,0,0|2,0,1]=4 379 B6R0.2 CN([13CH3])CC(=O)N 2230a_100000739694_200025704644 [0,1,0,0,0,0|2,0,1]=4 380 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [0,1,0,0,0,0|2,0,1]=4 381 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [0,1,0,0,0,0|0,0,2]=3 382 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [0,1,0,0,0,0|1,0,1]=3 383 B6R0.2 [13CH3]C(=O)C=C(Cl)Cl 1458a_100000137448_200025704644 [0,1,0,0,0,0|1,0,0]=2 384 B6R0.2 [13CH3]C(=O)CC(=O)N 1458a_100134613110_200025704644 [0,1,0,0,0,0|1,0,1]=3 385 B6R0.3 C#CC(C)C(=O)C 1458a_100000070787_200000035995 [0,1,0,0,0,0|0,0,3]=4 386 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [0,1,0,0,0,0|0,0,0]=1 387 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [0,1,0,0,0,0|0,0,0]=1 388 B6R0.3 C=C(Br)C(=O)NC 11a_106832991635_100009813364 [0,1,0,0,0,0|2,0,1]=4 389 B6R0.3 C=C(Br)C(=O)NC 1626a_100102657272_100009813364 [0,1,0,0,0,0|2,0,1]=4 390 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [0,1,0,0,0,0|1,0,1]=3 391 B6R0.3 C=C(C)C(=O)CF 1458a_100000185857_100015361967 [0,1,0,0,0,0|2,0,1]=4 392 B6R0.3 C=C(C)C(=O)NC 11a_106832991635_100000185857 [0,1,0,0,0,0|2,0,0]=3 393 B6R0.3 C=C(C)C(=O)NC 1626a_100102657272_100000185857 [0,1,0,0,0,0|2,0,0]=3 394 B6R0.3 C=C(C)C(C)NC 269862a_106832991636_100011216138 [0,1,0,0,0,0|2,0,1]=4 395 B6R0.3 C=C(Cl)C(=O)NC 11a_106832991635_100000039160 [0,1,0,0,0,0|2,0,1]=4 396 B6R0.3 C=C(Cl)C(=O)NC 1626a_100102657272_100000039160 [0,1,0,0,0,0|2,0,1]=4 397 B6R0.3 C=C(F)C(=O)NC 11a_106832991635_100000036797 [0,1,0,0,0,0|2,0,1]=4 398 B6R0.3 C=C(F)C(=O)NC 1626a_100102657272_100000036797 [0,1,0,0,0,0|2,0,1]=4 399 B6R0.3 C=CC(=O)C(C)C 1458a_100000185746_100000210206 [0,1,0,0,0,0|1,0,2]=4 400 B6R0.3 C=CC(=O)N(C)C 1626a_100102631434_100000185746 [0,1,0,0,0,0|2,0,1]=4 401 B6R0.3 C=CC(=O)N(C)C 240690a_100102631434_200121576911 [0,1,0,0,0,0|2,0,1]=4 402 B6R0.3 C=CC(C)C(=O)C 1458a_100011216780_200000210301 [0,1,0,0,0,0|0,0,2]=3 403 B6R0.3 C=CC(C)C(=O)[13CH3] 1458a_100011216780_200025704644 [0,1,0,0,0,0|0,0,2]=3 404 B6R0.3 CC(=O)C(C)C#N 1458a_100000070787_100000703298 [0,1,0,0,0,0|1,0,2]=4 405 B6R0.3 CC(=O)C(C)C#N 1458a_100000753662_200000210301 [0,1,0,0,0,0|1,0,2]=4 406 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [0,1,0,0,0,0|1,0,1]=3 407 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [0,1,0,0,0,0|1,0,1]=3 408 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [0,1,0,0,0,0|1,0,1]=3 409 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [0,1,0,0,0,0|1,0,2]=4 410 B6R0.3 CC(C#N)C(=O)[13CH3] 1458a_100000753662_200025704644 [0,1,0,0,0,0|1,0,2]=4 411 B6R0.3 CC(S[13CH3])C(=O)N 62a_100000702099_200025704644 [0,1,0,0,0,0|2,0,1]=4 412 B6R0.3 CC(S[13CH3])C(=O)N 62a_200025704644_100000702099 [0,1,0,0,0,0|2,0,1]=4 413 B6R0.3 CCC(=O)C(C)C 1458a_100000210198_100000210202 [0,1,0,0,0,0|1,0,2]=4 414 B6R0.3 CCC(=O)C(C)C 1458a_100000210414_100000210206 [0,1,0,0,0,0|1,0,2]=4 415 B6R0.3 CCC(=O)C(C)F 1458a_100000062450_100000210202 [0,1,0,0,0,0|1,0,2]=4 416 B6R0.3 CCC(=O)N(C)C 11a_100102631434_100000210414 [0,1,0,0,0,0|2,0,1]=4 417 B6R0.3 CCC(=O)N(C)C 1626a_100102631434_100000210414 [0,1,0,0,0,0|2,0,1]=4 418 B6R0.3 CCC(=O)N(C)C 240690a_100102631434_100000210414 [0,1,0,0,0,0|2,0,1]=4 419 B6R0.3 CCC(=O)N(C)C 527a_100102631434_100000210414 [0,1,0,0,0,0|2,0,1]=4 420 B6R0.3 CCC(=O)[C@@H](C)O 1458a_100000717761_100000210202 [0,1,0,0,0,0|0,0,3]=4 421 B6R0.3 CCC(=O)[C@H](C)O 1458a_217856618621_100000210202 [0,1,0,0,0,0|0,0,3]=4 422 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [0,1,0,0,0,0|0,0,2]=3 423 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [0,1,0,0,0,0|0,0,2]=3 424 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [0,1,0,0,0,0|0,0,2]=3 425 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [0,1,0,0,0,0|0,0,2]=3 426 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [0,1,0,0,0,0|0,0,2]=3 427 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [0,1,0,0,0,0|1,0,1]=3 428 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [0,1,0,0,0,0|1,0,1]=3 429 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [0,1,0,0,0,0|1,0,1]=3 430 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [0,1,0,0,0,0|1,0,1]=3 431 B6R0.3 CNC(=O)C(=O)C 1458a_100011218921_200000210301 [0,1,0,0,0,0|1,0,0]=2 432 B6R0.3 CNC(=O)C(=O)N 240690a_100102657272_100011215815 [0,1,0,0,0,0|2,0,0]=3 433 B6R0.3 CNC(=O)C(=O)[13CH3] 1458a_100011218921_200025704644 [0,1,0,0,0,0|1,0,0]=2 434 B6R0.3 CNC(=O)C(C)C 11a_106832991635_100000210198 [0,1,0,0,0,0|2,0,1]=4 435 B6R0.3 CNC(=O)C(C)C 1626a_100102657272_100000210198 [0,1,0,0,0,0|2,0,1]=4 436 B6R0.3 CNC(=O)C(C)C 240690a_100102657272_100000210198 [0,1,0,0,0,0|2,0,1]=4 437 B6R0.3 CNC(=O)C(C)C 527a_100102657272_100000210198 [0,1,0,0,0,0|2,0,1]=4 438 B6R0.3 CNC(=O)C(C)F 11a_106832991635_100000062450 [0,1,0,0,0,0|2,0,1]=4 439 B6R0.3 CNC(=O)C(C)F 1626a_100102657272_100000062450 [0,1,0,0,0,0|2,0,1]=4 440 B6R0.3 CNC(=O)C(C)F 240690a_100102657272_100000062450 [0,1,0,0,0,0|2,0,1]=4 441 B6R0.3 CNC(=O)C(C)F 527a_100102657272_100000062450 [0,1,0,0,0,0|2,0,1]=4 442 B6R0.3 CNC(=O)N(C)C 2708a_100102657272_100102631434 [0,1,0,0,0,0|3,0,0]=4 443 B6R0.3 CNC(=O)[C@@H](C)O 240690a_100102657272_100000717761 [0,1,0,0,0,0|1,0,2]=4 444 B6R0.3 CNC(=O)[C@H](C)O 1626a_100102657272_217856618621 [0,1,0,0,0,0|1,0,2]=4 445 B6R0.3 CNC(=O)[C@H](C)O 240690a_100102657272_217856618621 [0,1,0,0,0,0|1,0,2]=4 446 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [0,1,0,0,0,0|1,0,1]=3 447 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [0,1,0,0,0,0|1,0,1]=3 448 B6R0.3 CNC(C)C(=O)N 2230a_106832991635_100000702099 [0,1,0,0,0,0|2,0,1]=4 449 B6R0.3 CNC(C)C(=O)N 34a_100102657272_100000702099 [0,1,0,0,0,0|2,0,1]=4 450 B6R0.3 CNC(C)C(=O)N 7a_106832991635_100000702099 [0,1,0,0,0,0|2,0,1]=4 451 B6R0.3 CNC(F)C(=O)N 2230a_106832991635_100009813875 [0,1,0,0,0,0|2,0,1]=4 452 B6R0.3 CNC(F)C(=O)N 34a_100102657272_100009813875 [0,1,0,0,0,0|2,0,1]=4 453 B6R0.3 CNC(F)C(=O)N 7a_106832991635_100009813875 [0,1,0,0,0,0|2,0,1]=4 454 B6R0.3 CNC(F)C(=O)[O-] 34a_100102657272_100020610796 [0,1,0,0,0,0|2,0,1]=4 455 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [0,1,0,0,0,0|2,0,1]=4 456 B6R0.3 CN[C@H](C)C(=O)N 2230a_100000119354_200000210301 [0,1,0,0,0,0|2,0,1]=4 457 B6R0.3 CN[C@H](C)C(=O)N 34a_100000119354_200000210301 [0,1,0,0,0,0|2,0,1]=4 458 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [0,1,0,0,0,0|1,0,1]=3 459 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [0,1,0,0,0,0|1,0,1]=3 460 B6R0.3 COC(C)C(=O)N 34a_100138415774_100000702099 [0,1,0,0,0,0|2,0,1]=4 461 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [0,1,0,0,0,0|1,0,1]=3 462 B6R0.3 COC(F)C(=O)N 34a_100138415774_100009813875 [0,1,0,0,0,0|2,0,1]=4 463 B6R0.3 COC(F)C(=O)[O-] 34a_100138415774_100020610796 [0,1,0,0,0,0|2,0,1]=4 464 B6R0.3 CO[C@@H](C)C(=O)[O-] 7a_217856618621_200000210301 [0,1,0,0,0,0|2,0,1]=4 465 B6R0.3 CO[C@H](C)C(=O)N 34a_100000731257_200000210301 [0,1,0,0,0,0|2,0,1]=4 466 B6R0.3 CO[C@H](C)C(=O)N 7a_100000731257_200000210301 [0,1,0,0,0,0|2,0,1]=4 467 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [0,1,0,0,0,0|1,0,1]=3 468 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [0,1,0,0,0,0|1,0,1]=3 469 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [0,1,0,0,0,0|1,0,1]=3 470 B6R0.3 CSC(C)C(=O)N 62a_100000702099_200000210301 [0,1,0,0,0,0|2,0,1]=4 471 B6R0.3 CSC(C)C(=O)N 62a_200000210301_100000702099 [0,1,0,0,0,0|2,0,1]=4 472 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [0,1,0,0,0,0|1,0,1]=3 473 B6R0.3 CSC(F)C(=O)N 62a_100009813875_200000210301 [0,1,0,0,0,0|2,0,1]=4 474 B6R0.3 CSC(F)C(=O)N 62a_200000210301_100009813875 [0,1,0,0,0,0|2,0,1]=4 475 B6R0.3 CSC(F)C(=O)[O-] 62a_100020610796_200000210301 [0,1,0,0,0,0|2,0,1]=4 476 B6R0.3 CSC(F)C(=O)[O-] 62a_200000210301_100020610796 [0,1,0,0,0,0|2,0,1]=4 477 B6R0.3 C[C@@H](N[13CH3])C(=O)N 2230a_100000119354_200025704644 [0,1,0,0,0,0|2,0,1]=4 478 B6R0.3 C[C@@H](N[13CH3])C(=O)N 34a_100000119354_200025704644 [0,1,0,0,0,0|2,0,1]=4 479 B6R0.3 C[C@@H](O[13CH3])C(=O)N 34a_100000731257_200025704644 [0,1,0,0,0,0|2,0,1]=4 480 B6R0.3 C[C@@H](O[13CH3])C(=O)N 7a_100000731257_200025704644 [0,1,0,0,0,0|2,0,1]=4 481 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [0,1,0,0,0,0|2,0,1]=4 482 B6R0.3 C[C@H](O[13CH3])C(=O)[O-] 7a_217856618621_200025704644 [0,1,0,0,0,0|2,0,1]=4 483 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [0,1,0,0,0,0|1,0,2]=4 484 B6R0.3 [13CH3]SC(F)C(=O)N 62a_100009813875_200025704644 [0,1,0,0,0,0|2,0,1]=4 485 B6R0.3 [13CH3]SC(F)C(=O)N 62a_200025704644_100009813875 [0,1,0,0,0,0|2,0,1]=4 486 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_100020610796_200025704644 [0,1,0,0,0,0|2,0,1]=4 487 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_200025704644_100020610796 [0,1,0,0,0,0|2,0,1]=4 488 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [0,1,0,0,0,0|0,0,3]=4 489 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [0,1,0,0,0,0|0,0,3]=4 490 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [0,1,0,0,0,0|0,0,3]=4 491 B6R0.4 C#CCNC(=O)C 11a_100000212058_100015343762 [0,1,0,0,0,0|0,0,3]=4 492 B6R0.4 C#CCNC(=O)C 1626a_100000212058_100015343762 [0,1,0,0,0,0|0,0,3]=4 493 B6R0.4 C#CCNC(=O)C 240690a_100000212058_100015343762 [0,1,0,0,0,0|0,0,3]=4 494 B6R0.4 C#CCNC(=O)C 527a_100000212058_100103153847 [0,1,0,0,0,0|0,0,3]=4 495 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [0,1,0,0,0,0|0,0,0]=1 496 B6R0.4 C/C=C/CN(C)C 269982a_100102631434_100102629194 [0,1,0,0,0,0|2,0,0]=3 497 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [0,1,0,0,0,0|1,0,2]=4 498 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [0,1,0,0,0,0|1,0,2]=4 499 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [0,1,0,0,0,0|1,0,2]=4 500 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [0,1,0,0,0,0|1,0,2]=4 501 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [0,1,0,0,0,0|1,0,2]=4 502 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [0,1,0,0,0,0|1,0,2]=4 503 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [0,1,0,0,0,0|1,0,2]=4 504 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [0,1,0,0,0,0|1,0,2]=4 505 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [0,1,0,0,0,0|1,0,2]=4 506 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [0,1,0,0,0,0|1,0,2]=4 507 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [0,1,0,0,0,0|1,0,2]=4 508 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [0,1,0,0,0,0|1,0,2]=4 509 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [0,1,0,0,0,0|1,0,2]=4 510 B6R0.4 C=C(C)COCF 34a_100000210245_100015361967 [0,1,0,0,0,0|2,0,1]=4 511 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [0,1,0,0,0,0|1,0,2]=4 512 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [0,1,0,0,0,0|1,0,2]=4 513 B6R0.4 C=C(C)CSCF 62a_100000748629_100015361967 [0,1,0,0,0,0|2,0,1]=4 514 B6R0.4 C=C(C)CSCF 62a_100015361967_100000211660 [0,1,0,0,0,0|2,0,1]=4 515 B6R0.4 C=CC=CC(=O)C 1458a_100016291481_200000210301 [0,1,0,0,0,0|0,0,1]=2 516 B6R0.4 C=CC=CC(=O)[13CH3] 1458a_100016291481_200025704644 [0,1,0,0,0,0|0,0,1]=2 517 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [0,1,0,0,0,0|0,0,2]=3 518 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [0,1,0,0,0,0|0,0,2]=3 519 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [0,1,0,0,0,0|0,0,2]=3 520 B6R0.4 C=CCNC(=O)C 1626a_100020586998_100015343762 [0,1,0,0,0,0|0,0,2]=3 521 B6R0.4 C=CCNC(=O)C 240690a_100020586998_100015343762 [0,1,0,0,0,0|0,0,2]=3 522 B6R0.4 C=CCNC(=O)C 527a_100020586998_100103153847 [0,1,0,0,0,0|0,0,2]=3 523 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [0,1,0,0,0,0|0,0,2]=3 524 B6R0.4 CC(=CCN[13CH3])C 34a_100000718196_200025704644 [0,1,0,0,0,0|1,0,1]=3 525 B6R0.4 CC(=CCO[13CH3])C 34a_100000753907_200025704644 [0,1,0,0,0,0|1,0,1]=3 526 B6R0.4 CC(=CCS[13CH3])C 62a_100000761012_200025704644 [0,1,0,0,0,0|1,0,1]=3 527 B6R0.4 CC(=CCS[13CH3])C 62a_200025704644_100000761012 [0,1,0,0,0,0|1,0,1]=3 528 B6R0.4 CC(=O)C#CCO 1458a_100000049017_200000210301 [0,1,0,0,0,0|0,0,2]=3 529 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [0,1,0,0,0,0|0,0,3]=4 530 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [0,1,0,0,0,0|0,0,3]=4 531 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [0,1,0,0,0,0|0,0,2]=3 532 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [0,1,0,0,0,0|0,0,2]=3 533 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [0,1,0,0,0,0|0,0,2]=3 534 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [0,1,0,0,0,0|0,0,2]=3 535 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [0,1,0,0,0,0|0,0,2]=3 536 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [0,1,0,0,0,0|0,0,2]=3 537 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [0,1,0,0,0,0|1,0,1]=3 538 B6R0.4 CC(=O)NCC#N 1626a_100000734998_100015343762 [0,1,0,0,0,0|1,0,2]=4 539 B6R0.4 CC(=O)NCC#N 527a_100000734998_100103153847 [0,1,0,0,0,0|1,0,2]=4 540 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [0,1,0,0,0,0|1,0,1]=3 541 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [0,1,0,0,0,0|1,0,1]=3 542 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [0,1,0,0,0,0|1,0,1]=3 543 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [0,1,0,0,0,0|1,0,1]=3 544 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [0,1,0,0,0,0|1,0,1]=3 545 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [0,1,0,0,0,0|1,0,1]=3 546 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [0,1,0,0,0,0|1,0,1]=3 547 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [0,1,0,0,0,0|1,0,1]=3 548 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [0,1,0,0,0,0|0,0,0]=1 549 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [0,1,0,0,0,0|0,0,0]=1 550 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [0,1,0,0,0,0|0,0,0]=1 551 B6R0.4 CC=CCN(C)C 2230a_100102631434_100000070051 [0,1,0,0,0,0|2,0,0]=3 552 B6R0.4 CC=NNC(=O)C 4a_100000189765_200000210099 [0,1,0,0,0,0|1,0,0]=2 553 B6R0.4 CC=NNC(C)C 4a_100000741168_200000210099 [0,1,0,0,0,0|2,0,1]=4 554 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [0,1,0,0,0,0|0,0,2]=3 555 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [0,1,0,0,0,0|0,0,2]=3 556 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [0,1,0,0,0,0|0,0,0]=1 557 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [0,1,0,0,0,0|0,0,0]=1 558 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [0,1,0,0,0,0|0,0,2]=3 559 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [0,1,0,0,0,0|0,0,2]=3 560 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [0,1,0,0,0,0|0,0,2]=3 561 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [0,1,0,0,0,0|0,0,2]=3 562 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [0,1,0,0,0,0|0,0,2]=3 563 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [0,1,0,0,0,0|0,0,2]=3 564 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [0,1,0,0,0,0|0,0,2]=3 565 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [0,1,0,0,0,0|1,0,2]=4 566 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [0,1,0,0,0,0|1,0,2]=4 567 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [0,1,0,0,0,0|1,0,2]=4 568 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [0,1,0,0,0,0|1,0,1]=3 569 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [0,1,0,0,0,0|0,0,2]=3 570 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [0,1,0,0,0,0|0,0,2]=3 571 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [0,1,0,0,0,0|1,0,2]=4 572 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [0,1,0,0,0,0|0,0,2]=3 573 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [0,1,0,0,0,0|1,0,2]=4 574 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [0,1,0,0,0,0|0,0,2]=3 575 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [0,1,0,0,0,0|1,0,2]=4 576 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [0,1,0,0,0,0|1,0,2]=4 577 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [0,1,0,0,0,0|0,0,2]=3 578 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [0,1,0,0,0,0|1,0,2]=4 579 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [0,1,0,0,0,0|1,0,2]=4 580 B6R0.4 CNCC=C(C)C 2230a_106832991635_100000761012 [0,1,0,0,0,0|1,0,1]=3 581 B6R0.4 CNCC=C(C)C 34a_100000718196_200000210301 [0,1,0,0,0,0|1,0,1]=3 582 B6R0.4 CNCC=C(C)C 34a_100102657272_100000761012 [0,1,0,0,0,0|1,0,1]=3 583 B6R0.4 CNCC=C(C)C 7a_106832991635_100000761012 [0,1,0,0,0,0|1,0,1]=3 584 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [0,1,0,0,0,0|0,0,2]=3 585 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [0,1,0,0,0,0|1,0,2]=4 586 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [0,1,0,0,0,0|1,0,2]=4 587 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [0,1,0,0,0,0|1,0,2]=4 588 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [0,1,0,0,0,0|1,0,1]=3 589 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [0,1,0,0,0,0|2,0,1]=4 590 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [0,1,0,0,0,0|0,0,0]=1 591 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [0,1,0,0,0,0|0,0,0]=1 592 B6R0.4 COCC=C(C)C 34a_100000753907_200000210301 [0,1,0,0,0,0|1,0,1]=3 593 B6R0.4 COCC=C(C)C 34a_100138415774_100000761012 [0,1,0,0,0,0|1,0,1]=3 594 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [0,1,0,0,0,0|0,0,2]=3 595 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [0,1,0,0,0,0|0,0,2]=3 596 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [0,1,0,0,0,0|0,0,2]=3 597 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [0,1,0,0,0,0|0,0,2]=3 598 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [0,1,0,0,0,0|1,0,2]=4 599 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [0,1,0,0,0,0|1,0,2]=4 600 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [0,1,0,0,0,0|1,0,2]=4 601 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [0,1,0,0,0,0|0,0,2]=3 602 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [0,1,0,0,0,0|1,0,1]=3 603 B6R0.4 CSCC=C(C)C 62a_100000761012_200000210301 [0,1,0,0,0,0|1,0,1]=3 604 B6R0.4 CSCC=C(C)C 62a_200000210301_100000761012 [0,1,0,0,0,0|1,0,1]=3 605 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [0,1,0,0,0,0|0,0,2]=3 606 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [0,1,0,0,0,0|0,0,2]=3 607 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [0,1,0,0,0,0|0,0,2]=3 608 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [0,1,0,0,0,0|0,0,2]=3 609 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [0,1,0,0,0,0|1,0,2]=4 610 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [0,1,0,0,0,0|1,0,2]=4 611 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [0,1,0,0,0,0|0,0,2]=3 612 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [0,1,0,0,0,0|1,0,1]=3 613 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [0,1,0,0,0,0|1,0,1]=3 614 B6R0.4 NC(=O)CSCF 62a_100000747473_100015361967 [0,1,0,0,0,0|2,0,1]=4 615 B6R0.4 NC(=O)CSCF 62a_100015361967_100000747473 [0,1,0,0,0,0|2,0,1]=4 616 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [0,1,0,0,0,0|2,0,1]=4 617 B6R0.4 O=C([O-])CSCF 62a_100015361967_100020667443 [0,1,0,0,0,0|2,0,1]=4 618 B6R0.4 O=C([O-])CSCF 62a_100020667443_100015361967 [0,1,0,0,0,0|2,0,1]=4 619 B6R0.4 [13CH3]C(=O)C#CCO 1458a_100000049017_200025704644 [0,1,0,0,0,0|0,0,2]=3 620 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [0,1,0,0,0,0|0,0,3]=4 621 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [0,1,0,0,0,0|2,0,1]=4 622 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [0,1,0,0,0,0|1,0,2]=4 623 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [0,1,0,0,0,0|1,0,2]=4 624 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [0,1,0,0,0,0|1,0,2]=4 625 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [0,1,0,0,0,0|1,0,2]=4 626 B6R0.5 CCNS(=O)(=O)C 40a_100015525214_100000738038 [0,1,0,0,0,0|2,0,1]=4 627 B6R0.5 CNNS(=O)(=O)C 40a_100016993582_100000738038 [0,1,0,0,0,0|3,0,0]=4 628 B6R1.2 Oc1cc[nH]n1 271570a_203496583355_100000062575 [0,0,0,1,0,0|2,0,1]=4 629 B6R1.2 Oc1ccco1 271570a_203496583355_100009814098 [0,0,0,1,0,0|1,0,2]=4 630 B6R1.2 Oc1cccs1 271570a_203496583355_100011215356 [0,0,0,1,0,0|1,0,2]=4 631 B6R1.2 Oc1ccoc1 271570a_203496583355_100011215275 [0,0,0,1,0,0|1,0,2]=4 632 B6R1.2 Oc1ccsc1 271570a_203496583355_100000738268 [0,0,0,1,0,0|1,0,2]=4 633 B6R1.2 Oc1ccsn1 271570a_203496583355_100009818082 [0,0,0,1,0,0|2,0,1]=4 634 B6R1.11 CC(=O)C1CC1 1458a_100000210395_200000210301 [0,0,0,1,0,0|0,0,2]=3 635 B6R1.11 CC(=O)C1CO1 1458a_100000701028_200000210301 [0,0,0,1,0,0|1,0,1]=3 636 B6R1.11 [13CH3]C(=O)C1CC1 1458a_100000210395_200025704644 [0,0,0,1,0,0|0,0,2]=3 637 B6R1.11 [13CH3]C(=O)C1CO1 1458a_100000701028_200025704644 [0,0,0,1,0,0|1,0,1]=3 638 B3R0.1 CCNC 2230a_100015525214_200000210301 [2,0,0,0,0,0|1,0,1]=4 639 B3R0.1 CCNC 2230a_106832991635_100000210202 [2,0,0,0,0,0|1,0,1]=4 640 B3R0.1 CCNC 34a_100102657272_100000210202 [2,0,0,0,0,0|1,0,1]=4 641 B3R0.1 CCNC 7a_106832991635_100000210202 [2,0,0,0,0,0|1,0,1]=4 642 B3R0.1 CCN[13CH3] 2230a_100015525214_200025704644 [2,0,0,0,0,0|1,0,1]=4 643 B3R0.1 CCOC 34a_100121572206_200000210301 [2,0,0,0,0,0|1,0,1]=4 644 B3R0.1 CCOC 34a_100138415774_100000210202 [2,0,0,0,0,0|1,0,1]=4 645 B3R0.1 CCO[13CH3] 34a_100121572206_200025704644 [2,0,0,0,0,0|1,0,1]=4 646 B3R0.1 CCSC 62a_100000210202_200000210301 [2,0,0,0,0,0|1,0,1]=4 647 B3R0.1 CCSC 62a_200000210301_100000210202 [2,0,0,0,0,0|1,0,1]=4 648 B3R0.1 CCS[13CH3] 62a_100000210202_200025704644 [2,0,0,0,0,0|1,0,1]=4 649 B3R0.1 CCS[13CH3] 62a_200025704644_100000210202 [2,0,0,0,0,0|1,0,1]=4 650 B3R0.2 CC(=O)C 1458a_100000070787_200000210301 [2,0,0,0,0,0|0,0,0]=2 651 B3R0.2 CC(=O)[13CH3] 1458a_100000070787_200025704644 [2,0,0,0,0,0|0,0,0]=2 652 B3R0.2 CN(C)C 2230a_100102631434_200000210301 [2,0,0,0,0,0|2,0,0]=4 653 B3R0.2 CN(C)C 269982a_100102631434_200000210301 [2,0,0,0,0,0|2,0,0]=4 654 B3R0.2 CN(C)[13CH3] 2230a_100102631434_200025704644 [2,0,0,0,0,0|2,0,0]=4 655 B3R0.2 CN(C)[13CH3] 269982a_100102631434_200025704644 [2,0,0,0,0,0|2,0,0]=4 656 B5R0.3 C#CC(=O)CC 1458a_100000211873_100000210202 [1,1,0,0,0,0|0,0,2]=4 657 B5R0.3 C#CC(=O)CF 1458a_100000211873_100015361967 [1,1,0,0,0,0|0,0,2]=4 658 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [1,1,0,0,0,0|0,0,0]=2 659 B5R0.3 C=CC(=O)CF 1458a_100000185746_100015361967 [1,1,0,0,0,0|0,0,0]=2 660 B5R0.3 C=CC(=O)NC 1626a_100102657272_100000185746 [1,1,0,0,0,0|0,0,0]=2 661 B5R0.3 C=CC(=O)NC 240690a_100102657272_200121576911 [1,1,0,0,0,0|0,0,0]=2 662 B5R0.3 C=CC(C)OC 34a_100000695699_200000210301 [1,1,0,0,0,0|0,0,2]=4 663 B5R0.3 C=CC(C)O[13CH3] 34a_100000695699_200025704644 [1,1,0,0,0,0|0,0,2]=4 664 B5R0.3 C=CC(C)SC 62a_100011215867_200000210301 [1,1,0,0,0,0|0,1,1]=4 665 B5R0.3 C=CC(C)S[13CH3] 62a_100011215867_200025704644 [1,1,0,0,0,0|0,1,1]=4 666 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [1,1,0,0,0,0|0,0,1]=3 667 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [1,1,0,0,0,0|0,0,1]=3 668 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [1,1,0,0,0,0|0,0,1]=3 669 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [1,1,0,0,0,0|0,0,1]=3 670 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [1,1,0,0,0,0|0,0,1]=3 671 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [1,1,0,0,0,0|0,0,1]=3 672 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [1,1,0,0,0,0|0,0,1]=3 673 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [1,1,0,0,0,0|1,0,0]=3 674 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [1,1,0,0,0,0|1,0,0]=3 675 B5R0.3 CNC(=O)NC 2708a_100102657272_106832991635 [1,1,0,0,0,0|1,0,0]=3 676 B5R0.3 CNC(=O)NC 273464a_100102657272_100102657272 [1,1,0,0,0,0|1,0,0]=3 677 B5R0.3 CNC(=O)NC 512a_106832991638_100102657272 [1,1,0,0,0,0|1,0,0]=3 678 B5R0.3 O=C(CO)CF 1458a_100000210174_100015361967 [1,1,0,0,0,0|1,0,1]=4 679 B5R0.4 CNS(=O)(=O)C 40a_100102657272_100000738038 [1,1,0,0,0,0|2,0,0]=4 680 B5R0.5 C=C(C)C(=O)C 1458a_100000185857_200000210301 [1,1,0,0,0,0|0,0,0]=2 681 B5R0.5 C=C(C)C(=O)[13CH3] 1458a_100000185857_200025704644 [1,1,0,0,0,0|0,0,0]=2 682 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [1,1,0,0,0,0|0,0,1]=3 683 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [1,1,0,0,0,0|0,0,1]=3 684 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [1,1,0,0,0,0|0,0,1]=3 685 B5R0.5 CC(=O)C(O)O 1458a_100000233687_200000210301 [1,1,0,0,0,0|1,0,1]=4 686 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [1,1,0,0,0,0|1,0,0]=3 687 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [1,1,0,0,0,0|1,0,0]=3 688 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [1,1,0,0,0,0|1,0,0]=3 689 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [1,1,0,0,0,0|1,0,0]=3 690 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [1,1,0,0,0,0|0,0,1]=3 691 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [1,1,0,0,0,0|0,0,1]=3 692 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [1,1,0,0,0,0|0,0,1]=3 693 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [1,1,0,0,0,0|0,0,1]=3 694 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [1,1,0,0,0,0|0,0,1]=3 695 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [1,1,0,0,0,0|0,0,1]=3 696 B5R0.5 [13CH3]C(=O)C(O)O 1458a_100000233687_200025704644 [1,1,0,0,0,0|1,0,1]=4 697 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [1,1,0,0,0,0|0,0,1]=3 698 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [1,1,0,0,0,0|0,0,1]=3 699 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [1,1,0,0,0,0|0,0,1]=3 700 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [1,1,0,0,0,0|0,0,1]=3 701 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [1,1,0,0,0,0|0,0,1]=3 702 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [1,1,0,0,0,0|0,0,1]=3 703 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [1,1,0,0,0,0|0,0,1]=3 704 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [1,1,0,0,0,0|0,0,1]=3 705 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [1,1,0,0,0,0|0,0,1]=3 706 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [1,1,0,0,0,0|0,0,1]=3 707 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [1,1,0,0,0,0|0,0,1]=3 708 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [1,1,0,0,0,0|0,0,1]=3 709 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [1,1,0,0,0,0|0,0,1]=3 710 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [1,1,0,0,0,0|0,0,1]=3 711 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [1,1,0,0,0,0|0,0,1]=3 712 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [1,1,0,0,0,0|0,0,1]=3 713 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [1,1,0,0,0,0|0,0,1]=3 714 B5R0.2 CC=NNCC 4a_100000756455_200000210099 [1,1,0,0,0,0|1,0,1]=4 715 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [1,1,0,0,0,0|0,0,2]=4 716 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [1,1,0,0,0,0|0,0,2]=4 717 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [1,1,0,0,0,0|0,0,2]=4 718 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [1,1,0,0,0,0|0,0,2]=4 719 B5R0.2 O=CCSCF 62a_100015361967_200015260668 [1,1,0,0,0,0|1,0,1]=4 720 B5R0.2 O=CCSCF 62a_200015260668_100015361967 [1,1,0,0,0,0|1,0,1]=4 721 B7R0.2 C#CC(=O)CC(=C)C 1458a_100000211873_100000748629 [0,2,0,0,0,0|0,0,2]=4 722 B7R0.2 C#CC(C)NC(=O)C 11a_100000707721_100015343762 [0,2,0,0,0,0|1,0,1]=4 723 B7R0.2 C#CC(C)NC(=O)C 1626a_100000707721_100015343762 [0,2,0,0,0,0|1,0,1]=4 724 B7R0.2 C#CC(C)NC(=O)C 240690a_100000707721_100015343762 [0,2,0,0,0,0|1,0,1]=4 725 B7R0.2 C#CC(C)NC(=O)C 527a_100000707721_100103153847 [0,2,0,0,0,0|1,0,1]=4 726 B7R0.2 C=C(C#N)CC(=O)C 1458a_100000070787_100000694840 [0,2,0,0,0,0|0,0,2]=4 727 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [0,2,0,0,0,0|0,0,1]=3 728 B7R0.2 C=C(C)CC(=O)CO 1458a_100000210174_100000748629 [0,2,0,0,0,0|0,0,1]=3 729 B7R0.2 C=C(F)CC(=O)CC 1458a_100000210414_100009893438 [0,2,0,0,0,0|0,0,2]=4 730 B7R0.2 C=C(F)CC(=O)CO 1458a_100000210174_100009893438 [0,2,0,0,0,0|0,0,2]=4 731 B7R0.2 C=CC(=O)CC(=C)C 1458a_100000185746_100000748629 [0,2,0,0,0,0|0,0,2]=4 732 B7R0.2 C=CC(=O)CC(=O)N 1458a_100000185746_100000187820 [0,2,0,0,0,0|1,0,1]=4 733 B7R0.2 C=CC(=O)CC(=O)[O-] 1458a_100000185746_100020667443 [0,2,0,0,0,0|1,0,1]=4 734 B7R0.2 C=CC(C)CC(=O)C 1458a_100011934298_200000210301 [0,2,0,0,0,0|0,0,2]=4 735 B7R0.2 C=CC(C)CC(=O)[13CH3] 1458a_100011934298_200025704644 [0,2,0,0,0,0|0,0,2]=4 736 B7R0.2 CC(=CC(=O)CF)C 1458a_100000211388_100015361967 [0,2,0,0,0,0|0,0,0]=2 737 B7R0.2 CC(=CC(=O)CF)Cl 1458a_200042562850_100015361967 [0,2,0,0,0,0|0,0,0]=2 738 B7R0.2 CC(=CC(=O)CF)I 1458a_100025716642_100015361967 [0,2,0,0,0,0|0,0,0]=2 739 B7R0.2 CC(=CC(C)O[13CH3])C 34a_100000717055_200025704644 [0,2,0,0,0,0|0,0,2]=4 740 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [0,2,0,0,0,0|0,0,2]=4 741 B7R0.2 CC(=O)NC(C)C#N 11a_100000737613_100015343762 [0,2,0,0,0,0|1,0,1]=4 742 B7R0.2 CC(=O)NC(C)C#N 1626a_100000737613_100015343762 [0,2,0,0,0,0|1,0,1]=4 743 B7R0.2 CC(=O)NC(C)C#N 527a_100000737613_100103153847 [0,2,0,0,0,0|1,0,1]=4 744 B7R0.2 CC(=O)N[C@H](C)CF 11a_100102880703_100015343762 [0,2,0,0,0,0|1,0,1]=4 745 B7R0.2 CC(=O)N[C@H](C)CF 1626a_100102880703_100015343762 [0,2,0,0,0,0|1,0,1]=4 746 B7R0.2 CC(=O)N[C@H](C)CF 240690a_100102880703_100015343762 [0,2,0,0,0,0|1,0,1]=4 747 B7R0.2 CC(=O)N[C@H](C)CF 527a_100102880703_100103153847 [0,2,0,0,0,0|1,0,1]=4 748 B7R0.2 CC(=O)N[C@H](C)CO 240690a_100000737577_100015343762 [0,2,0,0,0,0|1,0,1]=4 749 B7R0.2 CC(=O)N[C@H](C)CO 527a_100000737577_100103153847 [0,2,0,0,0,0|1,0,1]=4 750 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_100009818208_200025704644 [0,2,0,0,0,0|1,0,1]=4 751 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_200025704644_100009818208 [0,2,0,0,0,0|1,0,1]=4 752 B7R0.2 CC(C)CC(=O)CF 1458a_100000210554_100015361967 [0,2,0,0,0,0|0,0,2]=4 753 B7R0.2 CC(C)CC(=O)CO 1458a_100000210174_100000210624 [0,2,0,0,0,0|0,0,2]=4 754 B7R0.2 CC(C)NC(=O)CO 240690a_100138425928_100000210174 [0,2,0,0,0,0|1,0,1]=4 755 B7R0.2 CC(C)NC(=O)CO 527a_100138425928_100000210174 [0,2,0,0,0,0|1,0,1]=4 756 B7R0.2 CC(O)CC(=O)CO 1458a_100000210174_100011218427 [0,2,0,0,0,0|0,0,2]=4 757 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [0,2,0,0,0,0|0,0,0]=2 758 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [0,2,0,0,0,0|0,0,0]=2 759 B7R0.2 CCC(=O)C=C(C)C 1458a_100000211388_100000210202 [0,2,0,0,0,0|0,0,0]=2 760 B7R0.2 CCC(=O)C=C(C)Cl 1458a_200042562850_100000210202 [0,2,0,0,0,0|0,0,0]=2 761 B7R0.2 CCC(=O)C=C(C)I 1458a_100025716642_100000210202 [0,2,0,0,0,0|0,0,0]=2 762 B7R0.2 CCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210202 [0,2,0,0,0,0|1,0,0]=3 763 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [0,2,0,0,0,0|0,0,1]=3 764 B7R0.2 CCC(=O)CC(=O)N 1458a_100000210414_100000187820 [0,2,0,0,0,0|1,0,1]=4 765 B7R0.2 CCC(=O)CC(=O)N 1458a_100134613110_100000210202 [0,2,0,0,0,0|1,0,1]=4 766 B7R0.2 CCC(=O)CC(=O)[O-] 1458a_100000210414_100020667443 [0,2,0,0,0,0|1,0,1]=4 767 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [0,2,0,0,0,0|0,0,2]=4 768 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [0,2,0,0,0,0|0,0,2]=4 769 B7R0.2 CCC(=O)CC(C)O 1458a_100000210414_100011218427 [0,2,0,0,0,0|0,0,2]=4 770 B7R0.2 CCC(=O)CN(C)C 1458a_100000750896_100000210202 [0,2,0,0,0,0|1,0,1]=4 771 B7R0.2 CCC(=O)CN(C)C 269982a_100102631434_100000747405 [0,2,0,0,0,0|1,0,1]=4 772 B7R0.2 CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210202 [0,2,0,0,0,0|0,0,2]=4 773 B7R0.2 CCC(=O)C[S+](C)C 1458a_200159257847_100000210202 [0,2,0,0,0,0|1,0,1]=4 774 B7R0.2 CCC(=O)NC(C)C 11a_100138425928_100000210414 [0,2,0,0,0,0|1,0,1]=4 775 B7R0.2 CCC(=O)NC(C)C 1626a_100138425928_100000210414 [0,2,0,0,0,0|1,0,1]=4 776 B7R0.2 CCC(=O)NC(C)C 240690a_100138425928_100000210414 [0,2,0,0,0,0|1,0,1]=4 777 B7R0.2 CCC(=O)NC(C)C 527a_100138425928_100000210414 [0,2,0,0,0,0|1,0,1]=4 778 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [0,2,0,0,0,0|0,0,2]=4 779 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [0,2,0,0,0,0|0,0,2]=4 780 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [0,2,0,0,0,0|0,0,2]=4 781 B7R0.2 CCC(C)NC(=O)C 11a_100000209981_100015343762 [0,2,0,0,0,0|0,0,2]=4 782 B7R0.2 CCC(C)NC(=O)C 1626a_100000209981_100015343762 [0,2,0,0,0,0|0,0,2]=4 783 B7R0.2 CCC(C)NC(=O)C 240690a_100000209981_100015343762 [0,2,0,0,0,0|0,0,2]=4 784 B7R0.2 CCC(C)NC(=O)C 527a_100000209981_100103153847 [0,2,0,0,0,0|0,0,2]=4 785 B7R0.2 CCC(O)CC(=O)C 1458a_100000070787_100011218378 [0,2,0,0,0,0|0,0,2]=4 786 B7R0.2 CCC(O)CC(=O)C 1458a_100011667805_200000210301 [0,2,0,0,0,0|0,0,2]=4 787 B7R0.2 CCC(O)CC(=O)[13CH3] 1458a_100011667805_200025704644 [0,2,0,0,0,0|0,0,2]=4 788 B7R0.2 CCN(C)CC(=O)C 1458a_100116209913_200000210301 [0,2,0,0,0,0|0,0,2]=4 789 B7R0.2 CCN(C)CC(=O)[13CH3] 1458a_100116209913_200025704644 [0,2,0,0,0,0|0,0,2]=4 790 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [0,2,0,0,0,0|0,0,2]=4 791 B7R0.2 CN(C)CC(=O)CF 1458a_100000750896_100015361967 [0,2,0,0,0,0|1,0,1]=4 792 B7R0.2 CNC(=O)C=C(C)C 11a_106832991635_100000211388 [0,2,0,0,0,0|0,0,0]=2 793 B7R0.2 CNC(=O)C=C(C)C 1626a_100102657272_100000211388 [0,2,0,0,0,0|0,0,0]=2 794 B7R0.2 CNC(=O)C=C(C)C 240690a_100102657272_100000211388 [0,2,0,0,0,0|0,0,0]=2 795 B7R0.2 CNC(=O)C=C(C)Cl 11a_106832991635_200042562850 [0,2,0,0,0,0|0,0,0]=2 796 B7R0.2 CNC(=O)C=C(C)Cl 1626a_100102657272_200042562850 [0,2,0,0,0,0|0,0,0]=2 797 B7R0.2 CNC(=O)C=C(C)Cl 240690a_100102657272_200042562850 [0,2,0,0,0,0|0,0,0]=2 798 B7R0.2 CNC(=O)C=C(C)I 11a_106832991635_100025716642 [0,2,0,0,0,0|0,0,0]=2 799 B7R0.2 CNC(=O)C=C(C)I 1626a_100102657272_100025716642 [0,2,0,0,0,0|0,0,0]=2 800 B7R0.2 CNC(=O)C=C(Cl)Cl 1626a_100102657272_100000137448 [0,2,0,0,0,0|1,0,0]=3 801 B7R0.2 CNC(=O)C=C(Cl)Cl 240690a_100102657272_100000137448 [0,2,0,0,0,0|1,0,0]=3 802 B7R0.2 CNC(=O)CC(=O)C 1458a_100000070787_100000183359 [0,2,0,0,0,0|0,0,1]=3 803 B7R0.2 CNC(=O)CC(=O)N 240690a_100102657272_100134613110 [0,2,0,0,0,0|1,0,1]=4 804 B7R0.2 CNC(=O)CC(=O)N 527a_100102657272_100134613110 [0,2,0,0,0,0|1,0,1]=4 805 B7R0.2 CNC(=O)CC(C)C 11a_106832991635_100000210554 [0,2,0,0,0,0|0,0,2]=4 806 B7R0.2 CNC(=O)CC(C)C 1626a_100102657272_100000210554 [0,2,0,0,0,0|0,0,2]=4 807 B7R0.2 CNC(=O)CC(C)C 240690a_100102657272_100000210554 [0,2,0,0,0,0|0,0,2]=4 808 B7R0.2 CNC(=O)CC(C)C 527a_100102657272_100000210554 [0,2,0,0,0,0|0,0,2]=4 809 B7R0.2 CNC(=O)CN(C)C 11a_106832991635_100000750896 [0,2,0,0,0,0|1,0,1]=4 810 B7R0.2 CNC(=O)CN(C)C 2230a_100000189611_200000210301 [0,2,0,0,0,0|1,0,1]=4 811 B7R0.2 CNC(=O)CN(C)C 2230a_100102631434_100000183359 [0,2,0,0,0,0|1,0,1]=4 812 B7R0.2 CNC(=O)CN(C)C 240690a_100102657272_100000750896 [0,2,0,0,0,0|1,0,1]=4 813 B7R0.2 CNC(=O)CN(C)C 269982a_100102631434_100000183359 [0,2,0,0,0,0|1,0,1]=4 814 B7R0.2 CNC(=O)CN(C)C 527a_100102657272_100000750896 [0,2,0,0,0,0|1,0,1]=4 815 B7R0.2 CNC(=O)CN(C)[13CH3] 2230a_100000189611_200025704644 [0,2,0,0,0,0|1,0,1]=4 816 B7R0.2 CNC(=O)C[C@@H](C)O 240690a_100102657272_100011933948 [0,2,0,0,0,0|0,0,2]=4 817 B7R0.2 CNC(=O)C[S+](C)C 11a_106832991635_200159257847 [0,2,0,0,0,0|1,0,1]=4 818 B7R0.2 CNC(=O)C[S+](C)C 1626a_100102657272_200159257847 [0,2,0,0,0,0|1,0,1]=4 819 B7R0.2 CNC(=O)C[S+](C)C 240690a_100102657272_200159257847 [0,2,0,0,0,0|1,0,1]=4 820 B7R0.2 CNC(=O)C[S+](C)C 527a_100102657272_200159257847 [0,2,0,0,0,0|1,0,1]=4 821 B7R0.2 CNC(=O)NC(C)C 2708a_100102657272_100138425928 [0,2,0,0,0,0|1,0,1]=4 822 B7R0.2 CNC(=O)NC(C)C 2708a_100138425928_106832991635 [0,2,0,0,0,0|1,0,1]=4 823 B7R0.2 CNC(=O)NC(C)C 273464a_100138425928_100102657272 [0,2,0,0,0,0|1,0,1]=4 824 B7R0.2 CNC(=O)NC(C)C 512a_100138425928_100102657272 [0,2,0,0,0,0|1,0,1]=4 825 B7R0.2 CNC(=O)NC(C)C 512a_106832991638_100138425928 [0,2,0,0,0,0|1,0,1]=4 826 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [0,2,0,0,0,0|0,0,1]=3 827 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [0,2,0,0,0,0|0,0,1]=3 828 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [0,2,0,0,0,0|0,0,1]=3 829 B7R0.2 COC(=O)CN(C)C 2230a_100000198492_200000210301 [0,2,0,0,0,0|1,0,1]=4 830 B7R0.2 COC(=O)CN(C)C 2230a_100102631434_100000747449 [0,2,0,0,0,0|1,0,1]=4 831 B7R0.2 COC(=O)CN(C)C 269982a_100102631434_100000747449 [0,2,0,0,0,0|1,0,1]=4 832 B7R0.2 COC(=O)CN(C)[13CH3] 2230a_100000198492_200025704644 [0,2,0,0,0,0|1,0,1]=4 833 B7R0.2 COC(C)C=C(C)C 34a_100000717055_200000210301 [0,2,0,0,0,0|0,0,2]=4 834 B7R0.2 CSC(C)OC(=O)C 62a_100009818208_200000210301 [0,2,0,0,0,0|1,0,1]=4 835 B7R0.2 CSC(C)OC(=O)C 62a_200000210301_100009818208 [0,2,0,0,0,0|1,0,1]=4 836 B7R0.2 C[C@@H](O)CC(=O)CF 1458a_100011933948_100015361967 [0,2,0,0,0,0|0,0,2]=4 837 B7R0.2 C[S+](C)CC(=O)CF 1458a_200159257847_100015361967 [0,2,0,0,0,0|1,0,1]=4 838 B7R0.2 NC(=O)CC(=O)CF 1458a_100134613110_100015361967 [0,2,0,0,0,0|1,0,1]=4 839 B7R0.2 NC(=O)CC(=O)CO 1458a_100000210174_100000187820 [0,2,0,0,0,0|1,0,1]=4 840 B7R0.2 O=C(C=C(Cl)Cl)CF 1458a_100000137448_100015361967 [0,2,0,0,0,0|1,0,0]=3 841 B7R0.2 O=C([O-])CC(=O)CO 1458a_100000210174_100020667443 [0,2,0,0,0,0|1,0,1]=4 842 B7R0.3 C#C/C(=C\COC)/C 34a_100016990848_200000210301 [0,2,0,0,0,0|1,0,1]=4 843 B7R0.3 C#C/C(=C\CO[13CH3])/C 34a_100016990848_200025704644 [0,2,0,0,0,0|1,0,1]=4 844 B7R0.3 C#CC(=O)C/C=C/C 1458a_100000211873_100102629194 [0,2,0,0,0,0|0,0,1]=3 845 B7R0.3 C#CC(=O)CC=CC 1458a_100000211873_100000070051 [0,2,0,0,0,0|0,0,1]=3 846 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [0,2,0,0,0,0|0,0,0]=2 847 B7R0.3 C/C=C/CC(=O)CO 1458a_100000210174_100102629194 [0,2,0,0,0,0|0,0,0]=2 848 B7R0.3 C/C=C/CN(C)CC 269982a_100000225621_100102629194 [0,2,0,0,0,0|2,0,0]=4 849 B7R0.3 C=CC(=O)C/C=C/C 1458a_100000185746_100102629194 [0,2,0,0,0,0|0,0,1]=3 850 B7R0.3 C=CC(=O)CC=CC 1458a_100000185746_100000070051 [0,2,0,0,0,0|0,0,1]=3 851 B7R0.3 C=CC=CC(=O)CC 1458a_100016291481_100000210202 [0,2,0,0,0,0|0,0,1]=3 852 B7R0.3 C=CC=CC(=O)CF 1458a_100016291481_100015361967 [0,2,0,0,0,0|0,0,1]=3 853 B7R0.3 C=CC=CC(=O)NC 1626a_100102657272_100016291481 [0,2,0,0,0,0|0,0,1]=3 854 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [0,2,0,0,0,0|0,0,2]=4 855 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [0,2,0,0,0,0|0,0,2]=4 856 B7R0.3 C=CCCC(=O)CF 1458a_100000749702_100015361967 [0,2,0,0,0,0|0,0,2]=4 857 B7R0.3 C=CCCC(=O)CO 1458a_100000210174_100000754431 [0,2,0,0,0,0|0,0,2]=4 858 B7R0.3 C=CCCC(=O)NC 11a_106832991635_100000749702 [0,2,0,0,0,0|0,0,2]=4 859 B7R0.3 C=CCCC(=O)NC 1626a_100102657272_100000749702 [0,2,0,0,0,0|0,0,2]=4 860 B7R0.3 C=CCCC(=O)NC 240690a_100102657272_100000749702 [0,2,0,0,0,0|0,0,2]=4 861 B7R0.3 C=CCCC(=O)NC 527a_100102657272_100000749702 [0,2,0,0,0,0|0,0,2]=4 862 B7R0.3 C=CCNC(=O)CC 1626a_100020586998_100000210414 [0,2,0,0,0,0|0,0,2]=4 863 B7R0.3 C=CCNC(=O)CC 240690a_100020586998_100000210414 [0,2,0,0,0,0|0,0,2]=4 864 B7R0.3 C=CCNC(=O)CC 527a_100020586998_100000210414 [0,2,0,0,0,0|0,0,2]=4 865 B7R0.3 C=CCNC(=O)CO 240690a_100020586998_100000210174 [0,2,0,0,0,0|0,0,2]=4 866 B7R0.3 C=CCNC(=O)CO 527a_100020586998_100000210174 [0,2,0,0,0,0|0,0,2]=4 867 B7R0.3 C=CCNC(=O)NC 2708a_100102657272_100020586998 [0,2,0,0,0,0|0,0,2]=4 868 B7R0.3 C=CCNC(=O)NC 273464a_100020586998_100102657272 [0,2,0,0,0,0|0,0,2]=4 869 B7R0.3 C=CCNC(=O)NC 273464a_100102657272_100020586998 [0,2,0,0,0,0|0,0,2]=4 870 B7R0.3 C=CCNC(=O)NC 512a_100020586998_100102657272 [0,2,0,0,0,0|0,0,2]=4 871 B7R0.3 C=CCNC(=O)NC 512a_106832991638_100020586998 [0,2,0,0,0,0|0,0,2]=4 872 B7R0.3 CC#CCC(=O)CC 1458a_100000210414_100000748600 [0,2,0,0,0,0|0,0,2]=4 873 B7R0.3 CC#CCC(=O)CO 1458a_100000210174_100000748600 [0,2,0,0,0,0|0,0,2]=4 874 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [0,2,0,0,0,0|0,0,0]=2 875 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [0,2,0,0,0,0|0,0,0]=2 876 B7R0.3 CC=CCC(=O)CF 1458a_100121576822_100015361967 [0,2,0,0,0,0|0,0,0]=2 877 B7R0.3 CC=CCC(=O)CO 1458a_100000210174_100000070051 [0,2,0,0,0,0|0,0,0]=2 878 B7R0.3 CC=CCC(=O)NC 11a_106832991635_100121576822 [0,2,0,0,0,0|0,0,0]=2 879 B7R0.3 CC=CCC(=O)NC 1626a_100102657272_100121576822 [0,2,0,0,0,0|0,0,0]=2 880 B7R0.3 CC=CCC(=O)NC 240690a_100102657272_100121576822 [0,2,0,0,0,0|0,0,0]=2 881 B7R0.3 CC=CCC(=O)NC 527a_100102657272_100121576822 [0,2,0,0,0,0|0,0,0]=2 882 B7R0.3 CC=CCN(C)CC 2230a_100000225621_100000070051 [0,2,0,0,0,0|2,0,0]=4 883 B7R0.3 CC=NNC(=O)CC 4a_100000183195_200000210099 [0,2,0,0,0,0|1,0,0]=3 884 B7R0.3 CCC#CC(=O)CC 1458a_100011827653_100000210202 [0,2,0,0,0,0|0,0,2]=4 885 B7R0.3 CCC#CC(=O)CF 1458a_100011827653_100015361967 [0,2,0,0,0,0|0,0,2]=4 886 B7R0.3 CCC(=O)C#CCO 1458a_100000049017_100000210202 [0,2,0,0,0,0|0,0,2]=4 887 B7R0.3 CCC(=O)C=COC 1458a_100016268678_100000210202 [0,2,0,0,0,0|0,0,0]=2 888 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [0,2,0,0,0,0|0,0,2]=4 889 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [0,2,0,0,0,0|0,0,2]=4 890 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [0,2,0,0,0,0|0,0,2]=4 891 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [0,2,0,0,0,0|0,0,2]=4 892 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [0,2,0,0,0,0|0,0,2]=4 893 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [0,2,0,0,0,0|0,0,2]=4 894 B7R0.3 CCC(=O)COCF 34a_100000725409_100015361967 [0,2,0,0,0,0|1,0,1]=4 895 B7R0.3 CCC(=O)CSCF 62a_100000747405_100015361967 [0,2,0,0,0,0|1,0,1]=4 896 B7R0.3 CCC(=O)CSCF 62a_100015361967_100000747405 [0,2,0,0,0,0|1,0,1]=4 897 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [0,2,0,0,0,0|1,0,1]=4 898 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [0,2,0,0,0,0|1,0,1]=4 899 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [0,2,0,0,0,0|1,0,1]=4 900 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [0,2,0,0,0,0|1,0,1]=4 901 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [0,2,0,0,0,0|1,0,1]=4 902 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [0,2,0,0,0,0|1,0,1]=4 903 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [0,2,0,0,0,0|0,0,0]=2 904 B7R0.3 CCC=CC(=O)CF 1458a_100000212282_100015361967 [0,2,0,0,0,0|0,0,0]=2 905 B7R0.3 CCC=CC(=O)NC 11a_106832991635_100000212282 [0,2,0,0,0,0|0,0,0]=2 906 B7R0.3 CCC=CC(=O)NC 1626a_100102657272_100000212282 [0,2,0,0,0,0|0,0,0]=2 907 B7R0.3 CCC=CC(=O)NC 240690a_100102657272_100000212282 [0,2,0,0,0,0|0,0,0]=2 908 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [0,2,0,0,0,0|0,0,2]=4 909 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [0,2,0,0,0,0|0,0,2]=4 910 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [0,2,0,0,0,0|0,0,2]=4 911 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [0,2,0,0,0,0|0,0,2]=4 912 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [0,2,0,0,0,0|0,0,2]=4 913 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [0,2,0,0,0,0|0,0,2]=4 914 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [0,2,0,0,0,0|0,0,2]=4 915 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [0,2,0,0,0,0|0,0,2]=4 916 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [0,2,0,0,0,0|0,0,2]=4 917 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [0,2,0,0,0,0|0,0,2]=4 918 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [0,2,0,0,0,0|0,0,2]=4 919 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [0,2,0,0,0,0|0,0,2]=4 920 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [0,2,0,0,0,0|0,0,2]=4 921 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [0,2,0,0,0,0|0,0,2]=4 922 B7R0.3 CCCNC(=O)NC 2708a_100020643023_106832991635 [0,2,0,0,0,0|0,0,2]=4 923 B7R0.3 CCCNC(=O)NC 2708a_100102657272_100020643023 [0,2,0,0,0,0|0,0,2]=4 924 B7R0.3 CCCNC(=O)NC 273464a_100020643023_100102657272 [0,2,0,0,0,0|0,0,2]=4 925 B7R0.3 CCCNC(=O)NC 273464a_100102657272_100020643023 [0,2,0,0,0,0|0,0,2]=4 926 B7R0.3 CCCNC(=O)NC 512a_100020643023_100102657272 [0,2,0,0,0,0|0,0,2]=4 927 B7R0.3 CCCNC(=O)NC 512a_106832991638_100020643023 [0,2,0,0,0,0|0,0,2]=4 928 B7R0.3 CCNCC(=O)NC 2230a_100000693194_100000210202 [0,2,0,0,0,0|0,0,2]=4 929 B7R0.3 CCNCC(=O)NC 2230a_100015525214_100000183359 [0,2,0,0,0,0|0,0,2]=4 930 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [0,2,0,0,0,0|0,0,2]=4 931 B7R0.3 CCNNC(=O)CC 22a_100000756455_100000210414 [0,2,0,0,0,0|1,0,1]=4 932 B7R0.3 CCNNC(=O)CO 22a_100000756455_100000210174 [0,2,0,0,0,0|1,0,1]=4 933 B7R0.3 CCNNC(=O)NC 273464a_100102657272_100000756455 [0,2,0,0,0,0|1,0,1]=4 934 B7R0.3 CCNNC(=O)NC 512a_100000756455_100102657272 [0,2,0,0,0,0|1,0,1]=4 935 B7R0.3 CCNNC(=O)NC 512a_106832991638_100000756455 [0,2,0,0,0,0|1,0,1]=4 936 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [0,2,0,0,0,0|0,0,2]=4 937 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [0,2,0,0,0,0|0,0,2]=4 938 B7R0.3 CCOCC(=O)CF 1458a_100000211967_100015361967 [0,2,0,0,0,0|0,0,2]=4 939 B7R0.3 CCOCC(=O)NC 11a_106832991635_100000211967 [0,2,0,0,0,0|0,0,2]=4 940 B7R0.3 CCOCC(=O)NC 1626a_100102657272_100000211967 [0,2,0,0,0,0|0,0,2]=4 941 B7R0.3 CCOCC(=O)NC 240690a_100102657272_100000211967 [0,2,0,0,0,0|0,0,2]=4 942 B7R0.3 CCOCC(=O)NC 34a_100000750040_100000210202 [0,2,0,0,0,0|0,0,2]=4 943 B7R0.3 CCOCC(=O)NC 34a_100121572206_100000183359 [0,2,0,0,0,0|0,0,2]=4 944 B7R0.3 CCOCC(=O)NC 527a_100102657272_100000211967 [0,2,0,0,0,0|0,0,2]=4 945 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [0,2,0,0,0,0|0,0,2]=4 946 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [0,2,0,0,0,0|0,0,2]=4 947 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [0,2,0,0,0,0|0,0,2]=4 948 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [0,2,0,0,0,0|0,0,2]=4 949 B7R0.3 CCSCC(=O)CF 1458a_100000230394_100015361967 [0,2,0,0,0,0|0,0,2]=4 950 B7R0.3 CCSCC(=O)NC 11a_106832991635_100000230394 [0,2,0,0,0,0|0,0,2]=4 951 B7R0.3 CCSCC(=O)NC 1626a_100102657272_100000230394 [0,2,0,0,0,0|0,0,2]=4 952 B7R0.3 CCSCC(=O)NC 240690a_100102657272_100000230394 [0,2,0,0,0,0|0,0,2]=4 953 B7R0.3 CCSCC(=O)NC 527a_100102657272_100000230394 [0,2,0,0,0,0|0,0,2]=4 954 B7R0.3 CCSCC(=O)NC 62a_100000183359_100000210202 [0,2,0,0,0,0|0,0,2]=4 955 B7R0.3 CCSCC(=O)NC 62a_100000210202_100000183359 [0,2,0,0,0,0|0,0,2]=4 956 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [0,2,0,0,0,0|0,0,2]=4 957 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [0,2,0,0,0,0|0,0,2]=4 958 B7R0.3 CNC(=O)C=COC 1626a_100102657272_100016268678 [0,2,0,0,0,0|0,0,0]=2 959 B7R0.3 CNC(=O)C=COC 240690a_100102657272_100016268678 [0,2,0,0,0,0|0,0,0]=2 960 B7R0.3 CNC(=O)CCN[13CH3] 2230a_100000738227_200025704644 [0,2,0,0,0,0|0,0,2]=4 961 B7R0.3 CNC(=O)CCN[13CH3] 34a_100000738227_200025704644 [0,2,0,0,0,0|0,0,2]=4 962 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [0,2,0,0,0,0|0,0,2]=4 963 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [0,2,0,0,0,0|0,0,2]=4 964 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [0,2,0,0,0,0|0,0,2]=4 965 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [0,2,0,0,0,0|0,0,2]=4 966 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [0,2,0,0,0,0|0,0,2]=4 967 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [0,2,0,0,0,0|0,0,2]=4 968 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [0,2,0,0,0,0|0,0,2]=4 969 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [0,2,0,0,0,0|0,0,2]=4 970 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [0,2,0,0,0,0|0,0,2]=4 971 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [0,2,0,0,0,0|0,0,2]=4 972 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [0,2,0,0,0,0|0,0,2]=4 973 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [0,2,0,0,0,0|0,0,2]=4 974 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [0,2,0,0,0,0|0,0,2]=4 975 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [0,2,0,0,0,0|0,0,2]=4 976 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [0,2,0,0,0,0|0,0,2]=4 977 B7R0.3 CNC(=O)COCF 34a_100000750040_100015361967 [0,2,0,0,0,0|1,0,1]=4 978 B7R0.3 CNC(=O)CSCF 62a_100000183359_100015361967 [0,2,0,0,0,0|1,0,1]=4 979 B7R0.3 CNC(=O)CSCF 62a_100015361967_100000183359 [0,2,0,0,0,0|1,0,1]=4 980 B7R0.3 CNC(=O)NCCF 2708a_100102657272_100000724931 [0,2,0,0,0,0|1,0,1]=4 981 B7R0.3 CNC(=O)NCCF 273464a_100000724931_100102657272 [0,2,0,0,0,0|1,0,1]=4 982 B7R0.3 CNC(=O)NCCF 273464a_100102657272_100000724931 [0,2,0,0,0,0|1,0,1]=4 983 B7R0.3 CNC(=O)NCCF 512a_106832991638_100000724931 [0,2,0,0,0,0|1,0,1]=4 984 B7R0.3 CNC(=O)NCCO 2708a_100102657272_100000210304 [0,2,0,0,0,0|1,0,1]=4 985 B7R0.3 CNC(=O)NCCO 273464a_100000210304_100102657272 [0,2,0,0,0,0|1,0,1]=4 986 B7R0.3 CNC(=O)NCCO 273464a_100102657272_100000210304 [0,2,0,0,0,0|1,0,1]=4 987 B7R0.3 CNC(=O)NCCO 512a_106832991638_100000210304 [0,2,0,0,0,0|1,0,1]=4 988 B7R0.3 CNCCC(=O)NC 2230a_100000738227_200000210301 [0,2,0,0,0,0|0,0,2]=4 989 B7R0.3 CNCCC(=O)NC 2230a_106832991635_100000737683 [0,2,0,0,0,0|0,0,2]=4 990 B7R0.3 CNCCC(=O)NC 34a_100000738227_200000210301 [0,2,0,0,0,0|0,0,2]=4 991 B7R0.3 CNCCC(=O)NC 34a_100102657272_100012179268 [0,2,0,0,0,0|0,0,2]=4 992 B7R0.3 CNCCC(=O)NC 7a_106832991635_100000737683 [0,2,0,0,0,0|0,0,2]=4 993 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [0,2,0,0,0,0|0,0,2]=4 994 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [0,2,0,0,0,0|0,0,2]=4 995 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [0,2,0,0,0,0|0,0,2]=4 996 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [0,2,0,0,0,0|0,0,2]=4 997 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [0,2,0,0,0,0|0,0,2]=4 998 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [0,2,0,0,0,0|0,0,2]=4 999 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [0,2,0,0,0,0|0,0,2]=4 1000 B7R0.3 COC(=O)CSCF 62a_100000747449_100015361967 [0,2,0,0,0,0|1,0,1]=4 1001 B7R0.3 COC(=O)CSCF 62a_100015361967_100000747449 [0,2,0,0,0,0|1,0,1]=4 1002 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [0,2,0,0,0,0|1,0,1]=4 1003 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [0,2,0,0,0,0|1,0,1]=4 1004 B7R0.3 COC=CC(=O)CF 1458a_100016268678_100015361967 [0,2,0,0,0,0|0,0,0]=2 1005 B7R0.3 COCCC(=O)CF 1458a_100000749529_100015361967 [0,2,0,0,0,0|0,0,2]=4 1006 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [0,2,0,0,0,0|0,0,2]=4 1007 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [0,2,0,0,0,0|0,0,2]=4 1008 B7R0.3 CSCCC(=O)CF 1458a_100000174002_100015361967 [0,2,0,0,0,0|0,0,2]=4 1009 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [0,2,0,0,0,0|0,0,2]=4 1010 B7R0.3 O=C(C#CCO)CF 1458a_100000049017_100015361967 [0,2,0,0,0,0|0,0,2]=4 1011 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [0,2,0,0,0,0|0,0,2]=4 1012 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [0,2,0,0,0,0|0,0,2]=4 1013 B7R0.3 O=C(CO)NCCF 240690a_100000724931_100000210174 [0,2,0,0,0,0|1,0,1]=4 1014 B7R0.3 O=C(CO)NCCF 527a_100000724931_100000210174 [0,2,0,0,0,0|1,0,1]=4 1015 B7R0.3 O=C(CO)NCCO 240690a_100000210304_100000210174 [0,2,0,0,0,0|1,0,1]=4 1016 B7R0.3 O=C(CO)NCCO 527a_100000210304_100000210174 [0,2,0,0,0,0|1,0,1]=4 1017 B7R0.5 C=C(C)C(=O)CCC 1458a_100000185857_100000210303 [0,2,0,0,0,0|0,0,2]=4 1018 B7R0.5 C=C(C)C(=O)CCF 1458a_100000185857_100011217306 [0,2,0,0,0,0|1,0,1]=4 1019 B7R0.5 C=C(C)C(=O)CCO 1458a_100000185857_100000211926 [0,2,0,0,0,0|1,0,1]=4 1020 B7R0.5 C=C(C)C(=O)NCC 11a_100015525214_100000185857 [0,2,0,0,0,0|1,0,1]=4 1021 B7R0.5 C=C(C)C(=O)NNC 22a_100016993582_100000185857 [0,2,0,0,0,0|2,0,0]=4 1022 B7R0.5 C=CCC(=O)C(=C)C 1458a_100000185857_100000210623 [0,2,0,0,0,0|0,0,2]=4 1023 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210193_100000210206 [0,2,0,0,0,0|0,0,2]=4 1024 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210198_100000210623 [0,2,0,0,0,0|0,0,2]=4 1025 B7R0.5 C=CCC(=O)C(C)F 1458a_100000062450_100000210623 [0,2,0,0,0,0|0,0,2]=4 1026 B7R0.5 C=CCC(=O)C(O)O 1458a_100000233687_100000210623 [0,2,0,0,0,0|0,0,2]=4 1027 B7R0.5 C=CCC(=O)N(C)C 11a_100102631434_100000210193 [0,2,0,0,0,0|0,0,2]=4 1028 B7R0.5 C=CCC(=O)N(C)C 1626a_100102631434_100000210193 [0,2,0,0,0,0|0,0,2]=4 1029 B7R0.5 C=CCC(=O)N(C)C 240690a_100102631434_100000210193 [0,2,0,0,0,0|0,0,2]=4 1030 B7R0.5 C=CCC(=O)N(C)C 527a_100102631434_100000210193 [0,2,0,0,0,0|0,0,2]=4 1031 B7R0.5 C=CCC(=O)[C@@H](C)O 1458a_100000717761_100000210623 [0,2,0,0,0,0|0,0,2]=4 1032 B7R0.5 C=CCC(=O)[C@H](C)O 1458a_217856618621_100000210623 [0,2,0,0,0,0|0,0,2]=4 1033 B7R0.5 C=CCC(C)C(=O)C 1458a_100011216819_200000210301 [0,2,0,0,0,0|0,0,2]=4 1034 B7R0.5 C=CCC(C)C(=O)[13CH3] 1458a_100011216819_200025704644 [0,2,0,0,0,0|0,0,2]=4 1035 B7R0.5 C=CCN(C)C(=O)C 11a_100000225617_100015343762 [0,2,0,0,0,0|0,0,2]=4 1036 B7R0.5 C=CCN(C)C(=O)C 1626a_100000225617_100015343762 [0,2,0,0,0,0|0,0,2]=4 1037 B7R0.5 C=CCN(C)C(=O)C 240690a_100000225617_100015343762 [0,2,0,0,0,0|0,0,2]=4 1038 B7R0.5 C=CCN(C)C(=O)C 527a_100000225617_100103153847 [0,2,0,0,0,0|0,0,2]=4 1039 B7R0.5 CC#CC(=O)C(C)C 1458a_100000763181_100000210206 [0,2,0,0,0,0|0,0,2]=4 1040 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_100011261029_200025704644 [0,2,0,0,0,0|0,0,1]=3 1041 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_200025704644_100011261029 [0,2,0,0,0,0|0,0,1]=3 1042 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [0,2,0,0,0,0|0,0,2]=4 1043 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [0,2,0,0,0,0|0,0,2]=4 1044 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [0,2,0,0,0,0|0,0,2]=4 1045 B7R0.5 CC(=O)C(C)OCF 34a_100000212229_100015361967 [0,2,0,0,0,0|1,0,1]=4 1046 B7R0.5 CC(=O)C(C)SCF 62a_100009814033_100015361967 [0,2,0,0,0,0|1,0,1]=4 1047 B7R0.5 CC(=O)C(C)SCF 62a_100015361967_100009814033 [0,2,0,0,0,0|1,0,1]=4 1048 B7R0.5 CC(=O)N(C)CCO 240690a_100000210263_100015343762 [0,2,0,0,0,0|1,0,1]=4 1049 B7R0.5 CC(=O)N(C)CCO 527a_100000210263_100103153847 [0,2,0,0,0,0|1,0,1]=4 1050 B7R0.5 CC(C)C(=O)C=CBr 1458a_100016273825_100000210206 [0,2,0,0,0,0|1,0,0]=3 1051 B7R0.5 CC(C)C(=O)C=CCl 1458a_200016279998_100000210206 [0,2,0,0,0,0|1,0,0]=3 1052 B7R0.5 CC(C)C(=O)C=CI 1458a_100016256311_100000210206 [0,2,0,0,0,0|1,0,0]=3 1053 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_100000753385_200025704644 [0,2,0,0,0,0|1,0,1]=4 1054 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_200025704644_100000753385 [0,2,0,0,0,0|1,0,1]=4 1055 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [0,2,0,0,0,0|0,0,0]=2 1056 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [0,2,0,0,0,0|0,0,0]=2 1057 B7R0.5 CC=CC(=O)C(C)C 1458a_100000210699_100000210206 [0,2,0,0,0,0|0,0,0]=2 1058 B7R0.5 CC=CC(=O)N(C)C 11a_100102631434_100000210699 [0,2,0,0,0,0|0,0,0]=2 1059 B7R0.5 CC=CC(=O)N(C)C 1626a_100102631434_100000210699 [0,2,0,0,0,0|0,0,0]=2 1060 B7R0.5 CC=CC(=O)N(C)C 240690a_100102631434_100000210699 [0,2,0,0,0,0|0,0,0]=2 1061 B7R0.5 CCCC(=O)C(C)C 1458a_100000210198_100000210303 [0,2,0,0,0,0|0,0,2]=4 1062 B7R0.5 CCCC(=O)C(C)C 1458a_100000211992_100000210206 [0,2,0,0,0,0|0,0,2]=4 1063 B7R0.5 CCCC(=O)C(C)F 1458a_100000062450_100000210303 [0,2,0,0,0,0|0,0,2]=4 1064 B7R0.5 CCCC(=O)C(O)O 1458a_100000233687_100000210303 [0,2,0,0,0,0|0,0,2]=4 1065 B7R0.5 CCCC(=O)N(C)C 11a_100102631434_100000211992 [0,2,0,0,0,0|0,0,2]=4 1066 B7R0.5 CCCC(=O)N(C)C 1626a_100102631434_100000211992 [0,2,0,0,0,0|0,0,2]=4 1067 B7R0.5 CCCC(=O)N(C)C 240690a_100102631434_100000211992 [0,2,0,0,0,0|0,0,2]=4 1068 B7R0.5 CCCC(=O)N(C)C 527a_100102631434_100000211992 [0,2,0,0,0,0|0,0,2]=4 1069 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [0,2,0,0,0,0|0,0,2]=4 1070 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [0,2,0,0,0,0|0,0,2]=4 1071 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [0,2,0,0,0,0|0,0,2]=4 1072 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [0,2,0,0,0,0|0,0,2]=4 1073 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [0,2,0,0,0,0|0,0,2]=4 1074 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [0,2,0,0,0,0|0,0,2]=4 1075 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [0,2,0,0,0,0|0,0,2]=4 1076 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [0,2,0,0,0,0|0,0,2]=4 1077 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [0,2,0,0,0,0|0,0,2]=4 1078 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [0,2,0,0,0,0|0,0,2]=4 1079 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [0,2,0,0,0,0|0,0,2]=4 1080 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [0,2,0,0,0,0|0,0,1]=3 1081 B7R0.5 CCNC(=O)C(=O)N 240690a_100015525214_100011215815 [0,2,0,0,0,0|1,0,1]=4 1082 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [0,2,0,0,0,0|0,0,1]=3 1083 B7R0.5 CCNC(=O)C(C)C 11a_100015525214_100000210198 [0,2,0,0,0,0|1,0,1]=4 1084 B7R0.5 CCNC(=O)C(C)C 240690a_100015525214_100000210198 [0,2,0,0,0,0|1,0,1]=4 1085 B7R0.5 CCNC(=O)C(C)C 527a_100015525214_100000210198 [0,2,0,0,0,0|1,0,1]=4 1086 B7R0.5 CCNC(=O)C(C)F 11a_100015525214_100000062450 [0,2,0,0,0,0|1,0,1]=4 1087 B7R0.5 CCNC(=O)C(C)F 240690a_100015525214_100000062450 [0,2,0,0,0,0|1,0,1]=4 1088 B7R0.5 CCNC(=O)C(C)F 527a_100015525214_100000062450 [0,2,0,0,0,0|1,0,1]=4 1089 B7R0.5 CCNC(=O)C(F)F 11a_100015525214_100000210393 [0,2,0,0,0,0|1,0,1]=4 1090 B7R0.5 CCNC(=O)C(F)F 240690a_100015525214_100000210393 [0,2,0,0,0,0|1,0,1]=4 1091 B7R0.5 CCNC(=O)C(F)F 527a_100015525214_100000210393 [0,2,0,0,0,0|1,0,1]=4 1092 B7R0.5 CCNC(=O)C(O)O 240690a_100015525214_100000233687 [0,2,0,0,0,0|1,0,1]=4 1093 B7R0.5 CCNC(=O)N(C)C 2708a_100015525214_100102631434 [0,2,0,0,0,0|1,0,1]=4 1094 B7R0.5 CCNC(=O)[C@@H](C)O 240690a_100015525214_100000717761 [0,2,0,0,0,0|1,0,1]=4 1095 B7R0.5 CCNC(=O)[C@H](C)O 240690a_100015525214_217856618621 [0,2,0,0,0,0|1,0,1]=4 1096 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [0,2,0,0,0,0|0,0,2]=4 1097 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [0,2,0,0,0,0|0,0,2]=4 1098 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [0,2,0,0,0,0|0,0,2]=4 1099 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [0,2,0,0,0,0|0,0,2]=4 1100 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [0,2,0,0,0,0|0,0,2]=4 1101 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [0,2,0,0,0,0|0,0,2]=4 1102 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [0,2,0,0,0,0|0,0,2]=4 1103 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [0,2,0,0,0,0|0,0,2]=4 1104 B7R0.5 CN(C)C(=O)C=CBr 1626a_100102631434_100016273825 [0,2,0,0,0,0|1,0,0]=3 1105 B7R0.5 CN(C)C(=O)C=CBr 240690a_100102631434_100016273825 [0,2,0,0,0,0|1,0,0]=3 1106 B7R0.5 CN(C)C(=O)C=CCl 11a_100102631434_200016279998 [0,2,0,0,0,0|1,0,0]=3 1107 B7R0.5 CN(C)C(=O)C=CCl 1626a_100102631434_200016279998 [0,2,0,0,0,0|1,0,0]=3 1108 B7R0.5 CN(C)C(=O)C=CCl 240690a_100102631434_200016279998 [0,2,0,0,0,0|1,0,0]=3 1109 B7R0.5 CN(C)C(=O)C=CI 1626a_100102631434_100016256311 [0,2,0,0,0,0|1,0,0]=3 1110 B7R0.5 CN(C)C(=O)CN[13CH3] 2230a_100015183351_200025704644 [0,2,0,0,0,0|1,0,1]=4 1111 B7R0.5 CN(C)C(=O)CS[13CH3] 62a_100000692301_200025704644 [0,2,0,0,0,0|1,0,1]=4 1112 B7R0.5 CN(C)C(=O)CS[13CH3] 62a_200025704644_100000692301 [0,2,0,0,0,0|1,0,1]=4 1113 B7R0.5 CNCC(=O)C(=O)C 34a_100102657272_100011261029 [0,2,0,0,0,0|0,0,1]=3 1114 B7R0.5 CNCC(=O)C(C)C 2230a_106832991635_100000753385 [0,2,0,0,0,0|1,0,1]=4 1115 B7R0.5 CNCC(=O)C(C)C 34a_100102657272_100000753385 [0,2,0,0,0,0|1,0,1]=4 1116 B7R0.5 CNCC(=O)C(C)C 7a_106832991635_100000753385 [0,2,0,0,0,0|1,0,1]=4 1117 B7R0.5 CNCC(=O)N(C)C 2230a_100015183351_200000210301 [0,2,0,0,0,0|1,0,1]=4 1118 B7R0.5 CNCC(=O)N(C)C 2230a_106832991635_100000185267 [0,2,0,0,0,0|1,0,1]=4 1119 B7R0.5 CNCC(=O)N(C)C 34a_100102657272_100000692301 [0,2,0,0,0,0|1,0,1]=4 1120 B7R0.5 CNCC(=O)N(C)C 7a_106832991635_100000692301 [0,2,0,0,0,0|1,0,1]=4 1121 B7R0.5 CNNC(=O)C(=O)N 22a_100016993582_100011215815 [0,2,0,0,0,0|2,0,0]=4 1122 B7R0.5 CNNC(=O)C(C)C 22a_100016993582_100000210198 [0,2,0,0,0,0|2,0,0]=4 1123 B7R0.5 CNNC(=O)C(C)F 22a_100016993582_100000062450 [0,2,0,0,0,0|2,0,0]=4 1124 B7R0.5 CNNC(=O)C(F)F 22a_100016993582_100000210393 [0,2,0,0,0,0|2,0,0]=4 1125 B7R0.5 CNNC(=O)C(O)O 22a_100016993582_100000233687 [0,2,0,0,0,0|2,0,0]=4 1126 B7R0.5 CNNC(=O)[C@@H](C)O 22a_100016993582_100000717761 [0,2,0,0,0,0|2,0,0]=4 1127 B7R0.5 CNNC(=O)[C@H](C)O 22a_100016993582_217856618621 [0,2,0,0,0,0|2,0,0]=4 1128 B7R0.5 CO/N=C(\C)/C(=O)C 1458a_100160996864_200000210301 [0,2,0,0,0,0|1,0,0]=3 1129 B7R0.5 CO/N=C(\C)/C(=O)[13CH3] 1458a_100160996864_200025704644 [0,2,0,0,0,0|1,0,0]=3 1130 B7R0.5 COCC(=O)C(=O)C 34a_100138415774_100011261029 [0,2,0,0,0,0|0,0,1]=3 1131 B7R0.5 COCC(=O)C(C)C 1458a_100000210968_100000210206 [0,2,0,0,0,0|1,0,1]=4 1132 B7R0.5 COCC(=O)C(C)C 34a_100138415774_100000753385 [0,2,0,0,0,0|1,0,1]=4 1133 B7R0.5 COCC(=O)N(C)C 11a_100102631434_100000210968 [0,2,0,0,0,0|1,0,1]=4 1134 B7R0.5 COCC(=O)N(C)C 1626a_100102631434_100000210968 [0,2,0,0,0,0|1,0,1]=4 1135 B7R0.5 COCC(=O)N(C)C 240690a_100102631434_100000210968 [0,2,0,0,0,0|1,0,1]=4 1136 B7R0.5 COCC(=O)N(C)C 34a_100138415774_100000692301 [0,2,0,0,0,0|1,0,1]=4 1137 B7R0.5 COCC(=O)N(C)C 527a_100102631434_100000210968 [0,2,0,0,0,0|1,0,1]=4 1138 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [0,2,0,0,0,0|0,0,2]=4 1139 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [0,2,0,0,0,0|0,0,2]=4 1140 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [0,2,0,0,0,0|0,0,2]=4 1141 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [0,2,0,0,0,0|0,0,2]=4 1142 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [0,2,0,0,0,0|0,0,2]=4 1143 B7R0.5 CSCC(=O)C(=O)C 62a_100011261029_200000210301 [0,2,0,0,0,0|0,0,1]=3 1144 B7R0.5 CSCC(=O)C(=O)C 62a_200000210301_100011261029 [0,2,0,0,0,0|0,0,1]=3 1145 B7R0.5 CSCC(=O)C(C)C 1458a_100000184570_100000210206 [0,2,0,0,0,0|1,0,1]=4 1146 B7R0.5 CSCC(=O)C(C)C 62a_100000753385_200000210301 [0,2,0,0,0,0|1,0,1]=4 1147 B7R0.5 CSCC(=O)C(C)C 62a_200000210301_100000753385 [0,2,0,0,0,0|1,0,1]=4 1148 B7R0.5 CSCC(=O)N(C)C 11a_100102631434_100000184570 [0,2,0,0,0,0|1,0,1]=4 1149 B7R0.5 CSCC(=O)N(C)C 1626a_100102631434_100000184570 [0,2,0,0,0,0|1,0,1]=4 1150 B7R0.5 CSCC(=O)N(C)C 240690a_100102631434_100000184570 [0,2,0,0,0,0|1,0,1]=4 1151 B7R0.5 CSCC(=O)N(C)C 527a_100102631434_100000184570 [0,2,0,0,0,0|1,0,1]=4 1152 B7R0.5 CSCC(=O)N(C)C 62a_100000692301_200000210301 [0,2,0,0,0,0|1,0,1]=4 1153 B7R0.5 CSCC(=O)N(C)C 62a_200000210301_100000692301 [0,2,0,0,0,0|1,0,1]=4 1154 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [0,2,0,0,0,0|0,0,2]=4 1155 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [0,2,0,0,0,0|0,0,2]=4 1156 B7R0.7 C#CCC(=O)C#CC 1458a_100000763181_100000184674 [0,2,0,0,0,0|0,0,2]=4 1157 B7R0.7 C#CCC(=O)C=CBr 1458a_100016273825_100000184674 [0,2,0,0,0,0|1,0,0]=3 1158 B7R0.7 C#CCC(=O)C=CC 1458a_100000210699_100000184674 [0,2,0,0,0,0|0,0,0]=2 1159 B7R0.7 C#CCC(=O)C=CCl 1458a_200016279998_100000184674 [0,2,0,0,0,0|1,0,0]=3 1160 B7R0.7 C#CCC(=O)C=CI 1458a_100016256311_100000184674 [0,2,0,0,0,0|1,0,0]=3 1161 B7R0.7 C#CCC(=O)CC=C 1458a_100000210193_100000184674 [0,2,0,0,0,0|0,0,2]=4 1162 B7R0.7 C#CCC(=O)CC=C 1458a_100011220946_100000210623 [0,2,0,0,0,0|0,0,2]=4 1163 B7R0.7 C#CCC(=O)CCC 1458a_100000211992_100000184674 [0,2,0,0,0,0|0,0,2]=4 1164 B7R0.7 C#CCC(=O)CCC 1458a_100011220946_100000210303 [0,2,0,0,0,0|0,0,2]=4 1165 B7R0.7 C#CCC(=O)COC 1458a_100000210968_100000184674 [0,2,0,0,0,0|1,0,1]=4 1166 B7R0.7 C#CCC(=O)CSC 1458a_100000184570_100000184674 [0,2,0,0,0,0|1,0,1]=4 1167 B7R0.7 C#CCC(=O)NCC 527a_100015525214_100011220946 [0,2,0,0,0,0|1,0,1]=4 1168 B7R0.7 C/C=C/C(C)OCC 34a_200102604097_100000210202 [0,2,0,0,0,0|0,0,2]=4 1169 B7R0.7 C/C=C/C(C)OCF 34a_200102604097_100015361967 [0,2,0,0,0,0|0,0,2]=4 1170 B7R0.7 C=CCC(=O)C#CC 1458a_100000763181_100000210623 [0,2,0,0,0,0|0,0,2]=4 1171 B7R0.7 C=CCC(=O)C=CBr 1458a_100016273825_100000210623 [0,2,0,0,0,0|1,0,0]=3 1172 B7R0.7 C=CCC(=O)C=CC 1458a_100000210699_100000210623 [0,2,0,0,0,0|0,0,0]=2 1173 B7R0.7 C=CCC(=O)C=CCl 1458a_200016279998_100000210623 [0,2,0,0,0,0|1,0,0]=3 1174 B7R0.7 C=CCC(=O)C=CI 1458a_100016256311_100000210623 [0,2,0,0,0,0|1,0,0]=3 1175 B7R0.7 C=CCC(=O)CC#N 1458a_100000210193_100011214920 [0,2,0,0,0,0|0,0,2]=4 1176 B7R0.7 C=CCC(=O)CC#N 1458a_100051588842_100000210623 [0,2,0,0,0,0|0,0,2]=4 1177 B7R0.7 C=CCC(=O)CC=C 1458a_100000210193_100000210623 [0,2,0,0,0,0|0,0,2]=4 1178 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [0,2,0,0,0,0|0,0,2]=4 1179 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [0,2,0,0,0,0|0,0,2]=4 1180 B7R0.7 C=CCC(=O)CCF 1458a_100000210193_100011217306 [0,2,0,0,0,0|0,0,2]=4 1181 B7R0.7 C=CCC(=O)CCO 1458a_100000210193_100000211926 [0,2,0,0,0,0|0,0,2]=4 1182 B7R0.7 C=CCC(=O)CCO 1458a_100011216618_100000210623 [0,2,0,0,0,0|0,0,2]=4 1183 B7R0.7 C=CCC(=O)COC 1458a_100000210968_100000210623 [0,2,0,0,0,0|0,0,2]=4 1184 B7R0.7 C=CCC(=O)CSC 1458a_100000184570_100000210623 [0,2,0,0,0,0|0,0,2]=4 1185 B7R0.7 C=CCC(=O)NCC 11a_100015525214_100000210193 [0,2,0,0,0,0|0,0,2]=4 1186 B7R0.7 C=CCC(=O)NCC 240690a_100015525214_100000210193 [0,2,0,0,0,0|0,0,2]=4 1187 B7R0.7 C=CCC(=O)NCC 527a_100015525214_100000210193 [0,2,0,0,0,0|0,0,2]=4 1188 B7R0.7 C=CCC(=O)NNC 22a_100016993582_100000210193 [0,2,0,0,0,0|0,0,2]=4 1189 B7R0.7 C=COC(=O)CNC 2230a_106832991635_100000036128 [0,2,0,0,0,0|1,0,1]=4 1190 B7R0.7 C=COC(=O)CNC 34a_100102657272_100000036128 [0,2,0,0,0,0|1,0,1]=4 1191 B7R0.7 C=COC(=O)COC 34a_100138415774_100000036128 [0,2,0,0,0,0|1,0,1]=4 1192 B7R0.7 C=COC(=O)CSC 62a_100000036128_200000210301 [0,2,0,0,0,0|1,0,1]=4 1193 B7R0.7 C=COC(=O)CSC 62a_200000210301_100000036128 [0,2,0,0,0,0|1,0,1]=4 1194 B7R0.7 C=COC(=O)CS[13CH3] 62a_100000036128_200025704644 [0,2,0,0,0,0|1,0,1]=4 1195 B7R0.7 C=COC(=O)CS[13CH3] 62a_200025704644_100000036128 [0,2,0,0,0,0|1,0,1]=4 1196 B7R0.7 CC#CC(=O)CC#N 1458a_100000763181_100011214920 [0,2,0,0,0,0|0,0,2]=4 1197 B7R0.7 CC#CC(=O)CCC 1458a_100000763181_100000210303 [0,2,0,0,0,0|0,0,2]=4 1198 B7R0.7 CC#CC(=O)CCF 1458a_100000763181_100011217306 [0,2,0,0,0,0|0,0,2]=4 1199 B7R0.7 CC#CC(=O)CCO 1458a_100000763181_100000211926 [0,2,0,0,0,0|0,0,2]=4 1200 B7R0.7 CC#CC(=O)NNC 22a_100016993582_100000763181 [0,2,0,0,0,0|0,0,2]=4 1201 B7R0.7 CC=CC(=O)CC#N 1458a_100000210699_100011214920 [0,2,0,0,0,0|0,0,0]=2 1202 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [0,2,0,0,0,0|0,0,0]=2 1203 B7R0.7 CC=CC(=O)CCF 1458a_100000210699_100011217306 [0,2,0,0,0,0|0,0,0]=2 1204 B7R0.7 CC=CC(=O)CCO 1458a_100000210699_100000211926 [0,2,0,0,0,0|0,0,0]=2 1205 B7R0.7 CC=CC(=O)NCC 11a_100015525214_100000210699 [0,2,0,0,0,0|0,0,0]=2 1206 B7R0.7 CC=CC(=O)NCC 240690a_100015525214_100000210699 [0,2,0,0,0,0|0,0,0]=2 1207 B7R0.7 CC=CC(=O)NNC 22a_100016993582_100000210699 [0,2,0,0,0,0|0,0,0]=2 1208 B7R0.7 CCCC(=O)C=CBr 1458a_100016273825_100000210303 [0,2,0,0,0,0|1,0,0]=3 1209 B7R0.7 CCCC(=O)C=CCl 1458a_200016279998_100000210303 [0,2,0,0,0,0|1,0,0]=3 1210 B7R0.7 CCCC(=O)C=CI 1458a_100016256311_100000210303 [0,2,0,0,0,0|1,0,0]=3 1211 B7R0.7 CCCC(=O)CC#N 1458a_100000211992_100011214920 [0,2,0,0,0,0|0,0,2]=4 1212 B7R0.7 CCCC(=O)CC#N 1458a_100051588842_100000210303 [0,2,0,0,0,0|0,0,2]=4 1213 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [0,2,0,0,0,0|0,0,2]=4 1214 B7R0.7 CCCC(=O)CCF 1458a_100000211992_100011217306 [0,2,0,0,0,0|0,0,2]=4 1215 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [0,2,0,0,0,0|0,0,2]=4 1216 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [0,2,0,0,0,0|0,0,2]=4 1217 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [0,2,0,0,0,0|0,0,2]=4 1218 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [0,2,0,0,0,0|0,0,2]=4 1219 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [0,2,0,0,0,0|0,0,2]=4 1220 B7R0.7 CCCC(=O)CSC 1458a_100000184570_100000210303 [0,2,0,0,0,0|0,0,2]=4 1221 B7R0.7 CCCC(=O)CSC 62a_100000747444_200000210301 [0,2,0,0,0,0|0,0,2]=4 1222 B7R0.7 CCCC(=O)CSC 62a_200000210301_100000747444 [0,2,0,0,0,0|0,0,2]=4 1223 B7R0.7 CCCC(=O)CS[13CH3] 62a_100000747444_200025704644 [0,2,0,0,0,0|0,0,2]=4 1224 B7R0.7 CCCC(=O)CS[13CH3] 62a_200025704644_100000747444 [0,2,0,0,0,0|0,0,2]=4 1225 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [0,2,0,0,0,0|0,0,2]=4 1226 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [0,2,0,0,0,0|0,0,2]=4 1227 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [0,2,0,0,0,0|0,0,2]=4 1228 B7R0.7 CCCC(=O)NNC 22a_100016993582_100000211992 [0,2,0,0,0,0|0,0,2]=4 1229 B7R0.7 CCNC(=O)C=CBr 240690a_100015525214_100016273825 [0,2,0,0,0,0|1,0,0]=3 1230 B7R0.7 CCNC(=O)C=CCl 11a_100015525214_200016279998 [0,2,0,0,0,0|1,0,0]=3 1231 B7R0.7 CCNC(=O)C=CCl 240690a_100015525214_200016279998 [0,2,0,0,0,0|1,0,0]=3 1232 B7R0.7 CCNC(=O)CC#N 240690a_100015525214_100051588842 [0,2,0,0,0,0|1,0,1]=4 1233 B7R0.7 CCNC(=O)CCO 240690a_100015525214_100011216618 [0,2,0,0,0,0|1,0,1]=4 1234 B7R0.7 CCNC(=O)CNC 2230a_100016988866_200000210301 [0,2,0,0,0,0|1,0,1]=4 1235 B7R0.7 CCNC(=O)CNC 2230a_106832991635_100000183381 [0,2,0,0,0,0|1,0,1]=4 1236 B7R0.7 CCNC(=O)CNC 34a_100102657272_100000183381 [0,2,0,0,0,0|1,0,1]=4 1237 B7R0.7 CCNC(=O)CNC 7a_106832991635_100000183381 [0,2,0,0,0,0|1,0,1]=4 1238 B7R0.7 CCNC(=O)CN[13CH3] 2230a_100016988866_200025704644 [0,2,0,0,0,0|1,0,1]=4 1239 B7R0.7 CCNC(=O)COC 11a_100015525214_100000210968 [0,2,0,0,0,0|1,0,1]=4 1240 B7R0.7 CCNC(=O)COC 240690a_100015525214_100000210968 [0,2,0,0,0,0|1,0,1]=4 1241 B7R0.7 CCNC(=O)COC 34a_100138415774_100000183381 [0,2,0,0,0,0|1,0,1]=4 1242 B7R0.7 CCNC(=O)COC 527a_100015525214_100000210968 [0,2,0,0,0,0|1,0,1]=4 1243 B7R0.7 CCNC(=O)CSC 11a_100015525214_100000184570 [0,2,0,0,0,0|1,0,1]=4 1244 B7R0.7 CCNC(=O)CSC 240690a_100015525214_100000184570 [0,2,0,0,0,0|1,0,1]=4 1245 B7R0.7 CCNC(=O)CSC 527a_100015525214_100000184570 [0,2,0,0,0,0|1,0,1]=4 1246 B7R0.7 CCNC(=O)CSC 62a_100000183381_200000210301 [0,2,0,0,0,0|1,0,1]=4 1247 B7R0.7 CCNC(=O)CSC 62a_200000210301_100000183381 [0,2,0,0,0,0|1,0,1]=4 1248 B7R0.7 CCNC(=O)CS[13CH3] 62a_100000183381_200025704644 [0,2,0,0,0,0|1,0,1]=4 1249 B7R0.7 CCNC(=O)CS[13CH3] 62a_200025704644_100000183381 [0,2,0,0,0,0|1,0,1]=4 1250 B7R0.7 CCNC(=O)NCC 2708a_100015525214_100015525214 [0,2,0,0,0,0|1,0,1]=4 1251 B7R0.7 CCNC(=O)NCC 273464a_100015525214_100015525214 [0,2,0,0,0,0|1,0,1]=4 1252 B7R0.7 CCNC(=O)NCC 512a_100015525214_100015525214 [0,2,0,0,0,0|1,0,1]=4 1253 B7R0.7 CCNC(=O)NNC 273464a_100015525214_100016993582 [0,2,0,0,0,0|1,0,1]=4 1254 B7R0.7 CCNC(=O)NNC 512a_100015525214_100016993582 [0,2,0,0,0,0|1,0,1]=4 1255 B7R0.7 CCNC(=O)NNC 512a_100016993582_100015525214 [0,2,0,0,0,0|1,0,1]=4 1256 B7R0.7 CCOC(=O)CNC 2230a_106832991635_100000188475 [0,2,0,0,0,0|1,0,1]=4 1257 B7R0.7 CCOC(=O)CNC 34a_100102657272_100000188475 [0,2,0,0,0,0|1,0,1]=4 1258 B7R0.7 CCOC(=O)CNC 7a_106832991635_100000188475 [0,2,0,0,0,0|1,0,1]=4 1259 B7R0.7 CCOC(=O)COC 34a_100138415774_100000188475 [0,2,0,0,0,0|1,0,1]=4 1260 B7R0.7 CCOC(=O)CSC 62a_100000188475_200000210301 [0,2,0,0,0,0|1,0,1]=4 1261 B7R0.7 CCOC(=O)CSC 62a_200000210301_100000188475 [0,2,0,0,0,0|1,0,1]=4 1262 B7R0.7 CCOC(=O)CS[13CH3] 62a_100000188475_200025704644 [0,2,0,0,0,0|1,0,1]=4 1263 B7R0.7 CCOC(=O)CS[13CH3] 62a_200025704644_100000188475 [0,2,0,0,0,0|1,0,1]=4 1264 B7R0.7 CNCC(=O)NCO 2230a_106832991635_100000185155 [0,2,0,0,0,0|1,0,1]=4 1265 B7R0.7 CNCC(=O)NCO 34a_100102657272_100000185155 [0,2,0,0,0,0|1,0,1]=4 1266 B7R0.7 CNCC(=O)NCO 7a_106832991635_100000185155 [0,2,0,0,0,0|1,0,1]=4 1267 B7R0.7 CNNC(=O)CC#N 22a_100016993582_100051588842 [0,2,0,0,0,0|2,0,0]=4 1268 B7R0.7 CNNC(=O)CCO 22a_100016993582_100011216618 [0,2,0,0,0,0|2,0,0]=4 1269 B7R0.7 CNNC(=O)COC 22a_100016993582_100000210968 [0,2,0,0,0,0|1,0,1]=4 1270 B7R0.7 CNNC(=O)CSC 22a_100016993582_100000184570 [0,2,0,0,0,0|1,0,1]=4 1271 B7R0.7 CNNC(=O)NNC 512a_100016993582_100016993582 [0,2,0,0,0,0|2,0,0]=4 1272 B7R0.7 COCC(=O)CC#N 1458a_100000210968_100011214920 [0,2,0,0,0,0|1,0,1]=4 1273 B7R0.7 COCC(=O)CCF 1458a_100000210968_100011217306 [0,2,0,0,0,0|1,0,1]=4 1274 B7R0.7 COCC(=O)CCO 1458a_100000210968_100000211926 [0,2,0,0,0,0|1,0,1]=4 1275 B7R0.7 COCC(=O)NCO 34a_100138415774_100000185155 [0,2,0,0,0,0|1,0,1]=4 1276 B7R0.7 CSCC(=O)CC#N 1458a_100000184570_100011214920 [0,2,0,0,0,0|1,0,1]=4 1277 B7R0.7 CSCC(=O)CCF 1458a_100000184570_100011217306 [0,2,0,0,0,0|1,0,1]=4 1278 B7R0.7 CSCC(=O)CCO 1458a_100000184570_100000211926 [0,2,0,0,0,0|1,0,1]=4 1279 B7R0.7 CSCC(=O)NCO 62a_100000185155_200000210301 [0,2,0,0,0,0|1,0,1]=4 1280 B7R0.7 CSCC(=O)NCO 62a_200000210301_100000185155 [0,2,0,0,0,0|1,0,1]=4 1281 B7R0.7 N#CCC(=O)C=CBr 1458a_100016273825_100011214920 [0,2,0,0,0,0|1,0,0]=3 1282 B7R0.7 N#CCC(=O)C=CCl 1458a_200016279998_100011214920 [0,2,0,0,0,0|1,0,0]=3 1283 B7R0.7 N#CCC(=O)C=CI 1458a_100016256311_100011214920 [0,2,0,0,0,0|1,0,0]=3 1284 B7R0.7 O=C(C=CBr)CCF 1458a_100016273825_100011217306 [0,2,0,0,0,0|1,0,0]=3 1285 B7R0.7 O=C(C=CBr)CCO 1458a_100016273825_100000211926 [0,2,0,0,0,0|1,0,0]=3 1286 B7R0.7 O=C(C=CCl)CCF 1458a_200016279998_100011217306 [0,2,0,0,0,0|1,0,0]=3 1287 B7R0.7 O=C(C=CCl)CCO 1458a_200016279998_100000211926 [0,2,0,0,0,0|1,0,0]=3 1288 B7R0.7 O=C(C=CI)CCF 1458a_100016256311_100011217306 [0,2,0,0,0,0|1,0,0]=3 1289 B7R0.7 O=C(C=CI)CCO 1458a_100016256311_100000211926 [0,2,0,0,0,0|1,0,0]=3 1290 B7R0.7 [13CH3]SCC(=O)NCO 62a_100000185155_200025704644 [0,2,0,0,0,0|1,0,1]=4 1291 B7R0.7 [13CH3]SCC(=O)NCO 62a_200025704644_100000185155 [0,2,0,0,0,0|1,0,1]=4 1292 B7R0.10 C/C=C(\C)/C(=O)CC 1458a_100020587367_100000210202 [0,2,0,0,0,0|0,0,0]=2 1293 B7R0.10 C/C=C(\C)/C(=O)CF 1458a_100020587367_100015361967 [0,2,0,0,0,0|0,0,0]=2 1294 B7R0.10 C/C=C(\C)/C(=O)NC 11a_106832991635_100020587367 [0,2,0,0,0,0|0,0,0]=2 1295 B7R0.10 C/C=C(\C)/C(=O)NC 1626a_100102657272_100020587367 [0,2,0,0,0,0|0,0,0]=2 1296 B7R0.10 C/C=C(\C)/C(C)NC 269862a_106832991636_100020675665 [0,2,0,0,0,0|1,0,1]=4 1297 B7R0.10 C=CC(C)C(=O)CC 1458a_100011216780_100000210202 [0,2,0,0,0,0|0,0,2]=4 1298 B7R0.10 C=CC(C)C(=O)CF 1458a_100011216780_100015361967 [0,2,0,0,0,0|0,0,2]=4 1299 B7R0.10 C=CC(C)C(=O)NC 11a_106832991635_100011216780 [0,2,0,0,0,0|0,0,2]=4 1300 B7R0.10 C=CC(C)C(=O)NC 1626a_100102657272_100011216780 [0,2,0,0,0,0|0,0,2]=4 1301 B7R0.10 C=CC(C)C(=O)NC 240690a_100102657272_100011216780 [0,2,0,0,0,0|0,0,2]=4 1302 B7R0.10 C=CC(C)C(=O)NC 527a_100102657272_100011216780 [0,2,0,0,0,0|0,0,2]=4 1303 B7R0.10 CCC(=O)C(=O)NC 1458a_100011218921_100000210202 [0,2,0,0,0,0|0,0,1]=3 1304 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [0,2,0,0,0,0|0,0,2]=4 1305 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [0,2,0,0,0,0|0,0,2]=4 1306 B7R0.10 CCC(=O)C(C)NC 2230a_106832991635_100000742827 [0,2,0,0,0,0|1,0,1]=4 1307 B7R0.10 CCC(=O)C(C)NC 7a_106832991635_100000742827 [0,2,0,0,0,0|1,0,1]=4 1308 B7R0.10 CCC(=O)C(C)OC 1458a_100000743197_100000210202 [0,2,0,0,0,0|1,0,1]=4 1309 B7R0.10 CCC(=O)C(C)SC 1458a_100000149566_100000210202 [0,2,0,0,0,0|1,0,1]=4 1310 B7R0.10 CCC(=O)C(C)SC 62a_100000742827_200000210301 [0,2,0,0,0,0|1,0,1]=4 1311 B7R0.10 CCC(=O)C(C)SC 62a_200000210301_100000742827 [0,2,0,0,0,0|1,0,1]=4 1312 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_100000742827_200025704644 [0,2,0,0,0,0|1,0,1]=4 1313 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_200025704644_100000742827 [0,2,0,0,0,0|1,0,1]=4 1314 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [0,2,0,0,0,0|0,0,2]=4 1315 B7R0.10 CCC(=O)N(C)CC 11a_100000225621_100000210414 [0,2,0,0,0,0|1,0,1]=4 1316 B7R0.10 CCC(=O)N(C)CC 1626a_100000225621_100000210414 [0,2,0,0,0,0|1,0,1]=4 1317 B7R0.10 CCC(=O)N(C)CC 240690a_100000225621_100000210414 [0,2,0,0,0,0|1,0,1]=4 1318 B7R0.10 CCC(=O)N(C)CC 527a_100000225621_100000210414 [0,2,0,0,0,0|1,0,1]=4 1319 B7R0.10 CCC(C)C(=O)CF 1458a_100011192722_100015361967 [0,2,0,0,0,0|0,0,2]=4 1320 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [0,2,0,0,0,0|0,0,2]=4 1321 B7R0.10 CCC(C)C(=O)NC 11a_106832991635_100011192722 [0,2,0,0,0,0|0,0,2]=4 1322 B7R0.10 CCC(C)C(=O)NC 1626a_100102657272_100011192722 [0,2,0,0,0,0|0,0,2]=4 1323 B7R0.10 CCC(C)C(=O)NC 240690a_100102657272_100011192722 [0,2,0,0,0,0|0,0,2]=4 1324 B7R0.10 CCC(C)C(=O)NC 527a_100102657272_100011192722 [0,2,0,0,0,0|0,0,2]=4 1325 B7R0.10 CCC(O)C(=O)CF 1458a_100011196387_100015361967 [0,2,0,0,0,0|0,0,2]=4 1326 B7R0.10 CCC(O)C(=O)NC 240690a_100102657272_100011196387 [0,2,0,0,0,0|0,0,2]=4 1327 B7R0.10 CCN(C)C(=O)CO 240690a_100000225621_100000210174 [0,2,0,0,0,0|1,0,1]=4 1328 B7R0.10 CCN(C)C(=O)CO 527a_100000225621_100000210174 [0,2,0,0,0,0|1,0,1]=4 1329 B7R0.10 CCN(C)C(=O)NC 2708a_100102657272_100000225621 [0,2,0,0,0,0|1,0,1]=4 1330 B7R0.10 CCN(C)C(=O)NC 273464a_100102657272_100000225621 [0,2,0,0,0,0|1,0,1]=4 1331 B7R0.10 CNC(=O)C(=O)CF 1458a_100011218921_100015361967 [0,2,0,0,0,0|1,0,0]=3 1332 B7R0.10 CNC(=O)C(=O)NC 1626a_100102657272_100011218921 [0,2,0,0,0,0|1,0,0]=3 1333 B7R0.10 CNC(=O)C(=O)NC 240690a_100102657272_100011218921 [0,2,0,0,0,0|1,0,0]=3 1334 B7R0.10 CNC(=O)C(=O)NC 527a_100102657272_100011218921 [0,2,0,0,0,0|1,0,0]=3 1335 B7R0.10 CNC(=O)C(=O)OC 11a_106832991635_100000024059 [0,2,0,0,0,0|1,0,0]=3 1336 B7R0.10 CNC(=O)C(=O)OC 1626a_100102657272_100000024059 [0,2,0,0,0,0|1,0,0]=3 1337 B7R0.10 CNC(=O)C(=O)OC 240690a_100102657272_100000024059 [0,2,0,0,0,0|1,0,0]=3 1338 B7R0.10 CNC(=O)C(=O)OC 527a_100102657272_100000024059 [0,2,0,0,0,0|1,0,0]=3 1339 B7R0.10 CNC(=O)C(C)NC 2230a_106832991635_100000731044 [0,2,0,0,0,0|1,0,1]=4 1340 B7R0.10 CNC(=O)C(C)NC 34a_100102657272_100000731044 [0,2,0,0,0,0|1,0,1]=4 1341 B7R0.10 CNC(=O)C(C)NC 7a_106832991635_100000209862 [0,2,0,0,0,0|1,0,1]=4 1342 B7R0.10 CNC(=O)C(C)OC 11a_106832991635_100000743197 [0,2,0,0,0,0|1,0,1]=4 1343 B7R0.10 CNC(=O)C(C)OC 1626a_100102657272_100000743197 [0,2,0,0,0,0|1,0,1]=4 1344 B7R0.10 CNC(=O)C(C)OC 240690a_100102657272_100000743197 [0,2,0,0,0,0|1,0,1]=4 1345 B7R0.10 CNC(=O)C(C)OC 34a_100138415774_100000731044 [0,2,0,0,0,0|1,0,1]=4 1346 B7R0.10 CNC(=O)C(C)OC 527a_100102657272_100000743197 [0,2,0,0,0,0|1,0,1]=4 1347 B7R0.10 CNC(=O)C(C)SC 11a_106832991635_100000149566 [0,2,0,0,0,0|1,0,1]=4 1348 B7R0.10 CNC(=O)C(C)SC 1626a_100102657272_100000149566 [0,2,0,0,0,0|1,0,1]=4 1349 B7R0.10 CNC(=O)C(C)SC 240690a_100102657272_100000149566 [0,2,0,0,0,0|1,0,1]=4 1350 B7R0.10 CNC(=O)C(C)SC 527a_100102657272_100000149566 [0,2,0,0,0,0|1,0,1]=4 1351 B7R0.10 CNC(=O)C(C)SC 62a_100000209862_200000210301 [0,2,0,0,0,0|1,0,1]=4 1352 B7R0.10 CNC(=O)C(C)SC 62a_200000210301_100000731044 [0,2,0,0,0,0|1,0,1]=4 1353 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_100000209862_200025704644 [0,2,0,0,0,0|1,0,1]=4 1354 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_200025704644_100000731044 [0,2,0,0,0,0|1,0,1]=4 1355 B7R0.10 CNC(=O)C(F)NC 2230a_106832991635_100009813575 [0,2,0,0,0,0|1,0,1]=4 1356 B7R0.10 CNC(=O)C(F)NC 34a_100102657272_100009813575 [0,2,0,0,0,0|1,0,1]=4 1357 B7R0.10 CNC(=O)C(F)NC 7a_106832991635_100009813575 [0,2,0,0,0,0|1,0,1]=4 1358 B7R0.10 CNC(=O)C(F)OC 34a_100138415774_100009813575 [0,2,0,0,0,0|1,0,1]=4 1359 B7R0.10 CNC(=O)C(F)SC 62a_100009813575_200000210301 [0,2,0,0,0,0|1,0,1]=4 1360 B7R0.10 CNC(=O)C(F)SC 62a_200000210301_100009813575 [0,2,0,0,0,0|1,0,1]=4 1361 B7R0.10 CNC(=O)C(F)S[13CH3] 62a_100009813575_200025704644 [0,2,0,0,0,0|1,0,1]=4 1362 B7R0.10 CNC(=O)C(F)S[13CH3] 62a_200025704644_100009813575 [0,2,0,0,0,0|1,0,1]=4 1363 B7R0.10 CNC(=O)[C@@H](C)NC 2230a_100000684985_200000210301 [0,2,0,0,0,0|1,0,1]=4 1364 B7R0.10 CNC(=O)[C@@H](C)NC 34a_100000684985_200000210301 [0,2,0,0,0,0|1,0,1]=4 1365 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 2230a_100000684985_200025704644 [0,2,0,0,0,0|1,0,1]=4 1366 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 34a_100000684985_200025704644 [0,2,0,0,0,0|1,0,1]=4 1367 B7R0.10 CNC(C)C(=O)OC 2230a_106832991635_100000211248 [0,2,0,0,0,0|1,0,1]=4 1368 B7R0.10 CNC(C)C(=O)OC 34a_100102657272_100000211248 [0,2,0,0,0,0|1,0,1]=4 1369 B7R0.10 CNC(C)C(=O)OC 7a_106832991635_100000211248 [0,2,0,0,0,0|1,0,1]=4 1370 B7R0.10 COC(=O)C(C)OC 34a_100011215400_200000210301 [0,2,0,0,0,0|1,0,1]=4 1371 B7R0.10 COC(=O)C(C)OC 34a_100138415774_100000211248 [0,2,0,0,0,0|1,0,1]=4 1372 B7R0.10 COC(=O)C(C)O[13CH3] 34a_100011215400_200025704644 [0,2,0,0,0,0|1,0,1]=4 1373 B7R0.10 COC(=O)C(C)SC 62a_100000211248_200000210301 [0,2,0,0,0,0|1,0,1]=4 1374 B7R0.10 COC(=O)C(C)SC 62a_200000210301_100000211248 [0,2,0,0,0,0|1,0,1]=4 1375 B7R0.10 COC(=O)C(C)S[13CH3] 62a_100000211248_200025704644 [0,2,0,0,0,0|1,0,1]=4 1376 B7R0.10 COC(=O)C(C)S[13CH3] 62a_200025704644_100000211248 [0,2,0,0,0,0|1,0,1]=4 1377 B7R0.10 COC(C)C(=O)CF 1458a_100000743197_100015361967 [0,2,0,0,0,0|1,0,1]=4 1378 B7R0.10 CSC(C)C(=O)CF 1458a_100000149566_100015361967 [0,2,0,0,0,0|1,0,1]=4 1379 B7R0.9 CC(=O)CC(C)(C)C 1458a_100000211214_200000210301 [0,2,0,0,0,0|0,0,2]=4 1380 B7R0.9 CC(=O)CC(C)(C)O 1458a_100000693243_200000210301 [0,2,0,0,0,0|0,0,2]=4 1381 B7R0.9 CC(=O)CS(=O)(=O)C 1458a_100000744497_200000210301 [0,2,0,0,0,0|1,0,1]=4 1382 B7R0.9 CC(=O)C[N+](C)(C)C 1458a_100000033712_200000210301 [0,2,0,0,0,0|1,0,1]=4 1383 B7R0.9 CC(=O)C[Si](C)(C)C 1458a_100000070787_100000233785 [0,2,0,0,0,0|0,1,1]=4 1384 B7R0.9 CC(=O)C[Si](C)(C)C 1458a_100011218504_200000210301 [0,2,0,0,0,0|0,1,1]=4 1385 B7R0.9 CC(=O)NC(C)(C)C 11a_100000715429_100015343762 [0,2,0,0,0,0|1,0,1]=4 1386 B7R0.9 CC(=O)NC(C)(C)C 1626a_100000715429_100015343762 [0,2,0,0,0,0|1,0,1]=4 1387 B7R0.9 CC(=O)NC(C)(C)C 240690a_100000715429_100015343762 [0,2,0,0,0,0|1,0,1]=4 1388 B7R0.9 CC(=O)NC(C)(C)C 527a_100000715429_100103153847 [0,2,0,0,0,0|1,0,1]=4 1389 B7R0.9 CC(=O)NS(=O)(=O)C 2740a_100000171171_100015343762 [0,2,0,0,0,0|2,0,0]=4 1390 B7R0.9 CC(C)(C)CC(=O)[13CH3] 1458a_100000211214_200025704644 [0,2,0,0,0,0|0,0,2]=4 1391 B7R0.9 CC(C)(O)CC(=O)[13CH3] 1458a_100000693243_200025704644 [0,2,0,0,0,0|0,0,2]=4 1392 B7R0.9 CS(=O)(=O)CC(=O)[13CH3] 1458a_100000744497_200025704644 [0,2,0,0,0,0|1,0,1]=4 1393 B7R0.9 C[N+](C)(C)CC(=O)[13CH3] 1458a_100000033712_200025704644 [0,2,0,0,0,0|1,0,1]=4 1394 B7R0.9 C[Si](C)(C)CC(=O)[13CH3] 1458a_100011218504_200025704644 [0,2,0,0,0,0|0,1,1]=4 1395 B7R0.16 C=C(C)C(=O)C(C)C 1458a_100000185857_100000210206 [0,2,0,0,0,0|1,0,1]=4 1396 B7R0.16 C=C(C)C(=O)N(C)C 11a_100102631434_100000185857 [0,2,0,0,0,0|2,0,0]=4 1397 B7R0.16 C=C(C)C(=O)N(C)C 1626a_100102631434_100000185857 [0,2,0,0,0,0|2,0,0]=4 1398 B7R0.16 CC(=O)C(=O)N(C)C 1458a_100011218876_200000210301 [0,2,0,0,0,0|1,0,0]=3 1399 B7R0.16 CC(=O)C(C)C(=O)C 1458a_100000070787_100000179758 [0,2,0,0,0,0|0,0,1]=3 1400 B7R0.16 CC(=O)C(C)C(=O)N 1458a_100000070787_100000702099 [0,2,0,0,0,0|1,0,1]=4 1401 B7R0.16 CC(=O)C(C)C(C)C 1458a_100000755409_200000210301 [0,2,0,0,0,0|0,0,2]=4 1402 B7R0.16 CC(=O)C(C)N(C)C 2230a_100102631434_100009814033 [0,2,0,0,0,0|1,0,1]=4 1403 B7R0.16 CC(=O)C(C)N(C)C 269982a_100102631434_100009814033 [0,2,0,0,0,0|1,0,1]=4 1404 B7R0.16 CC(=O)C(F)C(=O)N 1458a_100000070787_100009813875 [0,2,0,0,0,0|1,0,1]=4 1405 B7R0.16 CC(=O)C(F)C(=O)[O-] 1458a_100000070787_100020610796 [0,2,0,0,0,0|1,0,1]=4 1406 B7R0.16 CC(=O)N(C)C(C)C 11a_200000211004_100015343762 [0,2,0,0,0,0|1,0,1]=4 1407 B7R0.16 CC(=O)N(C)C(C)C 1626a_200000211004_100015343762 [0,2,0,0,0,0|1,0,1]=4 1408 B7R0.16 CC(=O)N(C)C(C)C 240690a_200000211004_100015343762 [0,2,0,0,0,0|1,0,1]=4 1409 B7R0.16 CC(=O)N(C)C(C)C 527a_200000211004_100103153847 [0,2,0,0,0,0|1,0,1]=4 1410 B7R0.16 CC(=O)[C@H](C)N(C)C 1458a_100009822176_200000210301 [0,2,0,0,0,0|1,0,1]=4 1411 B7R0.16 CC(=O)[C@H](O)C(C)C 1458a_100000691806_200000210301 [0,2,0,0,0,0|0,0,2]=4 1412 B7R0.16 CC(C)C(C)C(=O)[13CH3] 1458a_100000755409_200025704644 [0,2,0,0,0,0|0,0,2]=4 1413 B7R0.16 CC(C)[C@@H](O)C(=O)[13CH3] 1458a_100000691806_200025704644 [0,2,0,0,0,0|0,0,2]=4 1414 B7R0.16 CN(C)C(=O)C(=O)N 240690a_100102631434_100011215815 [0,2,0,0,0,0|2,0,0]=4 1415 B7R0.16 CN(C)C(=O)C(=O)[13CH3] 1458a_100011218876_200025704644 [0,2,0,0,0,0|1,0,0]=3 1416 B7R0.16 C[C@@H](C(=O)[13CH3])N(C)C 1458a_100009822176_200025704644 [0,2,0,0,0,0|1,0,1]=4 1417 B7R0.13 C=CC(C)(C)C(=O)C 1458a_100012027013_200000210301 [0,2,0,0,0,0|0,0,2]=4 1418 B7R0.13 C=CC(C)(C)C(=O)[13CH3] 1458a_100012027013_200025704644 [0,2,0,0,0,0|0,0,2]=4 1419 B7R0.13 CC(=O)C(C)(C)O[13CH3] 34a_100000747739_200025704644 [0,2,0,0,0,0|1,0,1]=4 1420 B7R0.13 CC(=O)C(C)(C)O[13CH3] 7a_100000747739_200025704644 [0,2,0,0,0,0|1,0,1]=4 1421 B7R0.13 CC(=O)C(C)(C)S[13CH3] 62a_100000075568_200025704644 [0,2,0,0,0,0|1,0,1]=4 1422 B7R0.13 CC(=O)C(C)(C)S[13CH3] 62a_200025704644_100000075568 [0,2,0,0,0,0|1,0,1]=4 1423 B7R0.13 CCC(C)(C)C(=O)C 1458a_100000749717_200000210301 [0,2,0,0,0,0|0,0,2]=4 1424 B7R0.13 CCC(C)(C)C(=O)[13CH3] 1458a_100000749717_200025704644 [0,2,0,0,0,0|0,0,2]=4 1425 B7R0.13 CCC(C)(O)C(=O)C 1458a_100011219770_200000210301 [0,2,0,0,0,0|0,0,2]=4 1426 B7R0.13 CCC(C)(O)C(=O)[13CH3] 1458a_100011219770_200025704644 [0,2,0,0,0,0|0,0,2]=4 1427 B7R0.13 CCC(F)(F)C(=O)C 1458a_100000061896_200000210301 [0,2,0,0,0,0|0,0,2]=4 1428 B7R0.13 CCC(F)(F)C(=O)[13CH3] 1458a_100000061896_200025704644 [0,2,0,0,0,0|0,0,2]=4 1429 B7R0.13 CNC(C)(C)C(=O)C 7a_106832991635_100000075568 [0,2,0,0,0,0|1,0,1]=4 1430 B7R0.13 COC(C)(C)C(=O)C 1458a_100000753492_200000210301 [0,2,0,0,0,0|1,0,1]=4 1431 B7R0.13 COC(C)(C)C(=O)C 34a_100000747739_200000210301 [0,2,0,0,0,0|1,0,1]=4 1432 B7R0.13 COC(C)(C)C(=O)C 7a_100000747739_200000210301 [0,2,0,0,0,0|1,0,1]=4 1433 B7R0.13 COC(C)(C)C(=O)[13CH3] 1458a_100000753492_200025704644 [0,2,0,0,0,0|1,0,1]=4 1434 B7R0.13 CSC(C)(C)C(=O)C 62a_100000075568_200000210301 [0,2,0,0,0,0|1,0,1]=4 1435 B7R0.13 CSC(C)(C)C(=O)C 62a_200000210301_100000075568 [0,2,0,0,0,0|1,0,1]=4 1436 B7R0.15 CCC(CC)C(=O)C 1458a_100000070787_100000210505 [0,2,0,0,0,0|0,0,2]=4 1437 B7R0.15 CCC(CC)C(=O)C 1458a_100000211163_200000210301 [0,2,0,0,0,0|0,0,2]=4 1438 B7R0.15 CCC(CC)C(=O)[13CH3] 1458a_100000211163_200025704644 [0,2,0,0,0,0|0,0,2]=4 1439 B7R0.15 CCC(OC)C(=O)C 1458a_100000747056_200000210301 [0,2,0,0,0,0|0,0,2]=4 1440 B7R0.15 CCC(OC)C(=O)[13CH3] 1458a_100000747056_200025704644 [0,2,0,0,0,0|0,0,2]=4 1441 B7R0.15 CCN(CC)C(=O)C 11a_100000724800_100015343762 [0,2,0,0,0,0|1,0,1]=4 1442 B7R0.15 CCN(CC)C(=O)C 1626a_100000724800_100015343762 [0,2,0,0,0,0|1,0,1]=4 1443 B7R0.15 CCN(CC)C(=O)C 240690a_100000724800_100015343762 [0,2,0,0,0,0|1,0,1]=4 1444 B7R0.15 CCN(CC)C(=O)C 527a_100000724800_100103153847 [0,2,0,0,0,0|1,0,1]=4 1445 B7R0.15 COC(OC)C(=O)C 1458a_100000046285_200000210301 [0,2,0,0,0,0|1,0,1]=4 1446 B7R0.15 COC(OC)C(=O)[13CH3] 1458a_100000046285_200025704644 [0,2,0,0,0,0|1,0,1]=4 1447 B7R0.4 C#CCCCC(=O)C 1458a_100000070787_100000731252 [0,2,0,0,0,0|0,0,2]=4 1448 B7R0.4 C#CCCCC(=O)C 1458a_100000690238_200000210301 [0,2,0,0,0,0|0,0,2]=4 1449 B7R0.4 C#CCCCC(=O)[13CH3] 1458a_100000690238_200025704644 [0,2,0,0,0,0|0,0,2]=4 1450 B7R0.4 C#CCCNC(=O)C 11a_100000755551_100015343762 [0,2,0,0,0,0|1,0,1]=4 1451 B7R0.4 C#CCCNC(=O)C 1626a_100000755551_100015343762 [0,2,0,0,0,0|1,0,1]=4 1452 B7R0.4 C#CCCNC(=O)C 240690a_100000755551_100015343762 [0,2,0,0,0,0|1,0,1]=4 1453 B7R0.4 C#CCCNC(=O)C 527a_100000755551_100103153847 [0,2,0,0,0,0|1,0,1]=4 1454 B7R0.4 C#CCOCC(=O)C 1458a_100011251226_200000210301 [0,2,0,0,0,0|1,0,1]=4 1455 B7R0.4 C#CCOCC(=O)C 34a_100000211253_100000184674 [0,2,0,0,0,0|1,0,1]=4 1456 B7R0.4 C#CCOCC(=O)[13CH3] 1458a_100011251226_200025704644 [0,2,0,0,0,0|1,0,1]=4 1457 B7R0.4 C/C=C/C=CC(=O)C 1458a_100000185730_200000210301 [0,2,0,0,0,0|0,0,0]=2 1458 B7R0.4 C/C=C/C=CC(=O)[13CH3] 1458a_100000185730_200025704644 [0,2,0,0,0,0|0,0,0]=2 1459 B7R0.4 C/C=C/CNC(C)C 34a_100138425928_100102629194 [0,2,0,0,0,0|1,0,1]=4 1460 B7R0.4 C/C=C/COC(C)C 34a_100000212225_100102629194 [0,2,0,0,0,0|1,0,1]=4 1461 B7R0.4 C/C=C/COC(C)C 34a_100016270725_100000210206 [0,2,0,0,0,0|1,0,1]=4 1462 B7R0.4 C/C=C/CSC(C)C 62a_100000210206_100102629194 [0,2,0,0,0,0|1,0,1]=4 1463 B7R0.4 C/C=C/CSC(C)C 62a_100102629194_100000210206 [0,2,0,0,0,0|1,0,1]=4 1464 B7R0.4 C=C(C)C=NNCC 4a_100000756455_100000210575 [0,2,0,0,0,0|1,0,1]=4 1465 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [0,2,0,0,0,0|0,0,2]=4 1466 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [0,2,0,0,0,0|0,0,2]=4 1467 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [0,2,0,0,0,0|0,0,2]=4 1468 B7R0.4 C=CCCNC(=O)C 11a_100015191253_100015343762 [0,2,0,0,0,0|0,0,2]=4 1469 B7R0.4 C=CCCNC(=O)C 1626a_100015191253_100015343762 [0,2,0,0,0,0|0,0,2]=4 1470 B7R0.4 C=CCCNC(=O)C 240690a_100015191253_100015343762 [0,2,0,0,0,0|0,0,2]=4 1471 B7R0.4 C=CCCNC(=O)C 527a_100015191253_100103153847 [0,2,0,0,0,0|0,0,2]=4 1472 B7R0.4 C=CCNNC(=O)C 22a_100020588587_100000070787 [0,2,0,0,0,0|0,0,2]=4 1473 B7R0.4 C=CCOCC(=O)C 34a_100000211253_100015514636 [0,2,0,0,0,0|0,0,2]=4 1474 B7R0.4 C=CCSCC(=O)C 1458a_100000230395_200000210301 [0,2,0,0,0,0|0,0,2]=4 1475 B7R0.4 C=CCSCC(=O)[13CH3] 1458a_100000230395_200025704644 [0,2,0,0,0,0|0,0,2]=4 1476 B7R0.4 C=COCCC(=O)C 1458a_100000070787_100000039644 [0,2,0,0,0,0|0,0,2]=4 1477 B7R0.4 CC#CCNC(=O)C 11a_100000685387_100015343762 [0,2,0,0,0,0|0,0,2]=4 1478 B7R0.4 CC#CCNC(=O)C 1626a_100000685387_100015343762 [0,2,0,0,0,0|0,0,2]=4 1479 B7R0.4 CC#CCNC(=O)C 527a_100000685387_100103153847 [0,2,0,0,0,0|0,0,2]=4 1480 B7R0.4 CC(=CCCS[13CH3])C 62a_100011217483_200025704644 [0,2,0,0,0,0|1,0,1]=4 1481 B7R0.4 CC(=CCCS[13CH3])C 62a_200025704644_100011217483 [0,2,0,0,0,0|1,0,1]=4 1482 B7R0.4 CC(=CCNCF)C 34a_100000718196_100015361967 [0,2,0,0,0,0|1,0,1]=4 1483 B7R0.4 CC(=CCOCF)C 34a_100000753907_100015361967 [0,2,0,0,0,0|1,0,1]=4 1484 B7R0.4 CC(=CCSCF)C 62a_100000761012_100015361967 [0,2,0,0,0,0|1,0,1]=4 1485 B7R0.4 CC(=CCSCF)C 62a_100015361967_100000761012 [0,2,0,0,0,0|1,0,1]=4 1486 B7R0.4 CC(=O)CC#CCO 1458a_100000070787_200000047223 [0,2,0,0,0,0|0,0,2]=4 1487 B7R0.4 CC(=O)CCCC#N 1458a_100000070787_100000211468 [0,2,0,0,0,0|0,0,2]=4 1488 B7R0.4 CC(=O)CCCC#N 1458a_100000075515_200000210301 [0,2,0,0,0,0|0,0,2]=4 1489 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [0,2,0,0,0,0|0,0,2]=4 1490 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [0,2,0,0,0,0|0,0,2]=4 1491 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [0,2,0,0,0,0|0,0,2]=4 1492 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [0,2,0,0,0,0|0,0,2]=4 1493 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [0,2,0,0,0,0|0,0,2]=4 1494 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [0,2,0,0,0,0|0,0,2]=4 1495 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [0,2,0,0,0,0|0,0,2]=4 1496 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [0,2,0,0,0,0|0,0,2]=4 1497 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [0,2,0,0,0,0|0,0,2]=4 1498 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [0,2,0,0,0,0|0,0,2]=4 1499 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [0,2,0,0,0,0|0,0,2]=4 1500 B7R0.4 CC(=O)COCC=O 34a_100000211253_200009817547 [0,2,0,0,0,0|1,0,1]=4 1501 B7R0.4 CC(=O)COCCF 34a_100000211253_100011217306 [0,2,0,0,0,0|0,0,2]=4 1502 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [0,2,0,0,0,0|0,0,2]=4 1503 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [0,2,0,0,0,0|0,0,2]=4 1504 B7R0.4 CC(=O)CSCC#N 1458a_100000150266_200000210301 [0,2,0,0,0,0|1,0,1]=4 1505 B7R0.4 CC(=O)NCCC#N 11a_100000720768_100015343762 [0,2,0,0,0,0|1,0,1]=4 1506 B7R0.4 CC(=O)NCCC#N 1626a_100000720768_100015343762 [0,2,0,0,0,0|1,0,1]=4 1507 B7R0.4 CC(=O)NCCC#N 240690a_100000720768_100015343762 [0,2,0,0,0,0|1,0,1]=4 1508 B7R0.4 CC(=O)NCCC#N 527a_100000720768_100103153847 [0,2,0,0,0,0|1,0,1]=4 1509 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [0,2,0,0,0,0|0,0,2]=4 1510 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [0,2,0,0,0,0|0,0,2]=4 1511 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [0,2,0,0,0,0|0,0,2]=4 1512 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [0,2,0,0,0,0|0,0,2]=4 1513 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [0,2,0,0,0,0|0,0,2]=4 1514 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [0,2,0,0,0,0|0,0,2]=4 1515 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [0,2,0,0,0,0|0,0,2]=4 1516 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [0,2,0,0,0,0|0,0,2]=4 1517 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [0,2,0,0,0,0|0,0,2]=4 1518 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [0,2,0,0,0,0|0,0,2]=4 1519 B7R0.4 CC(=O)NNCCO 22a_100000210001_100000070787 [0,2,0,0,0,0|1,0,1]=4 1520 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [0,2,0,0,0,0|0,0,2]=4 1521 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [0,2,0,0,0,0|0,0,2]=4 1522 B7R0.4 CC(=O)OCSCF 62a_100000076356_100015361967 [0,2,0,0,0,0|1,0,1]=4 1523 B7R0.4 CC(=O)OCSCF 62a_100015361967_100000076356 [0,2,0,0,0,0|1,0,1]=4 1524 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [0,2,0,0,0,0|0,0,0]=2 1525 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [0,2,0,0,0,0|0,0,0]=2 1526 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [0,2,0,0,0,0|0,0,0]=2 1527 B7R0.4 CC/C=C\CN(C)C 2230a_100102631434_100103147603 [0,2,0,0,0,0|2,0,0]=4 1528 B7R0.4 CC/C=C\CN(C)C 269982a_100102631434_100103147603 [0,2,0,0,0,0|2,0,0]=4 1529 B7R0.4 CC=CCNC(C)C 2230a_100138425928_100000070051 [0,2,0,0,0,0|1,0,1]=4 1530 B7R0.4 CC=CCNC(C)C 34a_100138425928_100000070051 [0,2,0,0,0,0|1,0,1]=4 1531 B7R0.4 CC=CCOC(C)C 34a_100000212225_100000070051 [0,2,0,0,0,0|1,0,1]=4 1532 B7R0.4 CC=CCSC(C)C 62a_100000070051_100000210206 [0,2,0,0,0,0|1,0,1]=4 1533 B7R0.4 CC=CCSC(C)C 62a_100000210206_100000070051 [0,2,0,0,0,0|1,0,1]=4 1534 B7R0.4 CCC#CCC(=O)C 1458a_100000070787_100009813939 [0,2,0,0,0,0|0,0,2]=4 1535 B7R0.4 CCC=NNC(=O)C 4a_100000189765_100000210100 [0,2,0,0,0,0|0,0,1]=3 1536 B7R0.4 CCCC#CC(=O)C 1458a_200011218047_200000210301 [0,2,0,0,0,0|0,0,2]=4 1537 B7R0.4 CCCC#CC(=O)[13CH3] 1458a_200011218047_200025704644 [0,2,0,0,0,0|0,0,2]=4 1538 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [0,2,0,0,0,0|0,0,0]=2 1539 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [0,2,0,0,0,0|0,0,0]=2 1540 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [0,2,0,0,0,0|0,0,2]=4 1541 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [0,2,0,0,0,0|0,0,2]=4 1542 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [0,2,0,0,0,0|0,0,2]=4 1543 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [0,2,0,0,0,0|0,0,2]=4 1544 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [0,2,0,0,0,0|0,0,2]=4 1545 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [0,2,0,0,0,0|0,0,2]=4 1546 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [0,2,0,0,0,0|0,0,2]=4 1547 B7R0.4 CCCNNC(=O)C 22a_100000740057_100000070787 [0,2,0,0,0,0|0,0,2]=4 1548 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [0,2,0,0,0,0|0,0,2]=4 1549 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [0,2,0,0,0,0|0,0,2]=4 1550 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [0,2,0,0,0,0|0,0,2]=4 1551 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [0,2,0,0,0,0|0,0,2]=4 1552 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [0,2,0,0,0,0|0,0,2]=4 1553 B7R0.4 CCNCC=C(C)C 2230a_100015525214_100000761012 [0,2,0,0,0,0|1,0,1]=4 1554 B7R0.4 CCNCC=C(C)C 34a_100000718196_100000210202 [0,2,0,0,0,0|1,0,1]=4 1555 B7R0.4 CCOC=CC(=O)C 1458a_100016266692_200000210301 [0,2,0,0,0,0|0,0,0]=2 1556 B7R0.4 CCOC=CC(=O)[13CH3] 1458a_100016266692_200025704644 [0,2,0,0,0,0|0,0,0]=2 1557 B7R0.4 CCOCC=C(C)C 34a_100000753907_100000210202 [0,2,0,0,0,0|1,0,1]=4 1558 B7R0.4 CCOCC=C(C)C 34a_100121572206_100000761012 [0,2,0,0,0,0|1,0,1]=4 1559 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [0,2,0,0,0,0|0,0,2]=4 1560 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [0,2,0,0,0,0|0,0,2]=4 1561 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [0,2,0,0,0,0|0,0,2]=4 1562 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [0,2,0,0,0,0|0,0,2]=4 1563 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [0,2,0,0,0,0|0,0,2]=4 1564 B7R0.4 CCOCOC(=O)C 34a_100121572206_100009813279 [0,2,0,0,0,0|0,0,2]=4 1565 B7R0.4 CCSCC=C(C)C 62a_100000210202_100000761012 [0,2,0,0,0,0|1,0,1]=4 1566 B7R0.4 CCSCC=C(C)C 62a_100000761012_100000210202 [0,2,0,0,0,0|1,0,1]=4 1567 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [0,2,0,0,0,0|0,0,2]=4 1568 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [0,2,0,0,0,0|0,0,2]=4 1569 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [0,2,0,0,0,0|0,0,2]=4 1570 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [0,2,0,0,0,0|0,0,2]=4 1571 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [0,2,0,0,0,0|0,0,2]=4 1572 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [0,2,0,0,0,0|0,0,2]=4 1573 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [0,2,0,0,0,0|0,0,2]=4 1574 B7R0.4 CNCCC=C(C)C 2230a_106832991635_100011217483 [0,2,0,0,0,0|1,0,1]=4 1575 B7R0.4 CNCCC=C(C)C 34a_100102657272_100011217483 [0,2,0,0,0,0|1,0,1]=4 1576 B7R0.4 CNCCC=C(C)C 7a_106832991635_100011217483 [0,2,0,0,0,0|1,0,1]=4 1577 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [0,2,0,0,0,0|0,0,2]=4 1578 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [0,2,0,0,0,0|0,0,2]=4 1579 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [0,2,0,0,0,0|0,0,2]=4 1580 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [0,2,0,0,0,0|0,0,2]=4 1581 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [0,2,0,0,0,0|0,0,2]=4 1582 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [0,2,0,0,0,0|0,0,2]=4 1583 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [0,2,0,0,0,0|0,0,2]=4 1584 B7R0.4 COCC=CC(=O)C 1458a_100016285016_200000210301 [0,2,0,0,0,0|0,0,0]=2 1585 B7R0.4 COCC=CC(=O)[13CH3] 1458a_100016285016_200025704644 [0,2,0,0,0,0|0,0,0]=2 1586 B7R0.4 COCCC=C(C)C 34a_100138415774_100011217483 [0,2,0,0,0,0|1,0,1]=4 1587 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [0,2,0,0,0,0|0,0,2]=4 1588 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [0,2,0,0,0,0|0,0,2]=4 1589 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [0,2,0,0,0,0|0,0,2]=4 1590 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [0,2,0,0,0,0|0,0,2]=4 1591 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [0,2,0,0,0,0|0,0,2]=4 1592 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [0,2,0,0,0,0|0,0,2]=4 1593 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [0,2,0,0,0,0|0,0,2]=4 1594 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [0,2,0,0,0,0|0,0,2]=4 1595 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [0,2,0,0,0,0|0,0,2]=4 1596 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [0,2,0,0,0,0|0,0,2]=4 1597 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [0,2,0,0,0,0|0,0,2]=4 1598 B7R0.4 CSCCC=C(C)C 62a_100011217483_200000210301 [0,2,0,0,0,0|1,0,1]=4 1599 B7R0.4 CSCCC=C(C)C 62a_200000210301_100011217483 [0,2,0,0,0,0|1,0,1]=4 1600 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [0,2,0,0,0,0|0,0,2]=4 1601 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [0,2,0,0,0,0|0,0,2]=4 1602 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [0,2,0,0,0,0|0,0,2]=4 1603 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [0,2,0,0,0,0|0,0,2]=4 1604 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [0,2,0,0,0,0|0,0,2]=4 1605 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [0,2,0,0,0,0|0,0,2]=4 1606 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [0,2,0,0,0,0|0,0,2]=4 1607 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [0,2,0,0,0,0|0,0,2]=4 1608 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [0,2,0,0,0,0|0,0,2]=4 1609 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [0,2,0,0,0,0|0,0,2]=4 1610 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [0,2,0,0,0,0|0,0,2]=4 1611 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [0,2,0,0,0,0|0,0,2]=4 1612 B7R0.4 CSCOCC(=O)C 34a_100000211253_100011218213 [0,2,0,0,0,0|0,0,2]=4 1613 B7R0.4 [13CH3]C(=O)CCCC#N 1458a_100000075515_200025704644 [0,2,0,0,0,0|0,0,2]=4 1614 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [0,2,0,0,0,0|0,0,2]=4 1615 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [0,2,0,0,0,0|0,0,2]=4 1616 B7R0.4 [13CH3]C(=O)CSCC#N 1458a_100000150266_200025704644 [0,2,0,0,0,0|1,0,1]=4 1617 B7R0.6 C=C(C)CCC(=O)C 1458a_100000070787_100000730704 [0,2,0,0,0,0|0,0,1]=3 1618 B7R0.6 C=C(C)CCC(=O)C 1458a_200000688413_200000210301 [0,2,0,0,0,0|0,0,1]=3 1619 B7R0.6 C=C(C)CCC(=O)[13CH3] 1458a_200000688413_200025704644 [0,2,0,0,0,0|0,0,1]=3 1620 B7R0.6 C=C(C)CNC(=O)C 11a_100000765925_100015343762 [0,2,0,0,0,0|0,0,1]=3 1621 B7R0.6 C=C(C)CNC(=O)C 1626a_100000765925_100015343762 [0,2,0,0,0,0|0,0,1]=3 1622 B7R0.6 C=C(C)CNC(=O)C 240690a_100000765925_100015343762 [0,2,0,0,0,0|0,0,1]=3 1623 B7R0.6 C=C(C)CNC(=O)C 527a_100000765925_100103153847 [0,2,0,0,0,0|0,0,1]=3 1624 B7R0.6 CC(=CCC(=O)[13CH3])C 1458a_100011220947_200025704644 [0,2,0,0,0,0|0,0,0]=2 1625 B7R0.6 CC(=CCN(C)C)C 2230a_100102631434_100000761012 [0,2,0,0,0,0|1,0,1]=4 1626 B7R0.6 CC(=CCN(C)C)C 269982a_100102631434_100000761012 [0,2,0,0,0,0|1,0,1]=4 1627 B7R0.6 CC(=O)C=CC(C)C 1458a_100016268746_200000210301 [0,2,0,0,0,0|0,0,0]=2 1628 B7R0.6 CC(=O)CC=C(C)C 1458a_100000070787_100000761012 [0,2,0,0,0,0|0,0,0]=2 1629 B7R0.6 CC(=O)CC=C(C)C 1458a_100011220947_200000210301 [0,2,0,0,0,0|0,0,0]=2 1630 B7R0.6 CC(=O)CCC(=O)N 1458a_100011215257_200000210301 [0,2,0,0,0,0|1,0,1]=4 1631 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [0,2,0,0,0,0|0,0,2]=4 1632 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [0,2,0,0,0,0|0,0,2]=4 1633 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [0,2,0,0,0,0|0,0,2]=4 1634 B7R0.6 CC(=O)CCN(C)C 269982a_100102631434_100000053229 [0,2,0,0,0,0|0,0,2]=4 1635 B7R0.6 CC(=O)CC[S+](C)C 1458a_100009452791_200000210301 [0,2,0,0,0,0|0,0,2]=4 1636 B7R0.6 CC(=O)CNC(=O)C 1458a_100000194580_200000210301 [0,2,0,0,0,0|0,0,1]=3 1637 B7R0.6 CC(=O)CNC(=O)N 1458a_100000184981_200000210301 [0,2,0,0,0,0|1,0,1]=4 1638 B7R0.6 CC(=O)COC(=O)C 1458a_100000183556_200000210301 [0,2,0,0,0,0|0,0,1]=3 1639 B7R0.6 CC(=O)COC(C)C 1458a_100000745533_200000210301 [0,2,0,0,0,0|0,0,2]=4 1640 B7R0.6 CC(=O)COC(C)C 34a_100000211253_100000210206 [0,2,0,0,0,0|0,0,2]=4 1641 B7R0.6 CC(=O)COC(F)F 1458a_200000719455_200000210301 [0,2,0,0,0,0|1,0,1]=4 1642 B7R0.6 CC(=O)CSC(=O)C 1458a_100000049016_200000210301 [0,2,0,0,0,0|0,0,1]=3 1643 B7R0.6 CC(=O)CSC(C)C 1458a_100000241585_200000210301 [0,2,0,0,0,0|0,0,2]=4 1644 B7R0.6 CC(=O)CSC(F)F 1458a_114828291038_200000210301 [0,2,0,0,0,0|1,0,1]=4 1645 B7R0.6 CC(=O)NCC(=O)N 11a_100000711301_100015343762 [0,2,0,0,0,0|1,0,1]=4 1646 B7R0.6 CC(=O)NCC(=O)N 240690a_100000711301_100015343762 [0,2,0,0,0,0|1,0,1]=4 1647 B7R0.6 CC(=O)NCC(=O)N 527a_100000711301_100103153847 [0,2,0,0,0,0|1,0,1]=4 1648 B7R0.6 CC(=O)NCC(=O)[13CH3] 1458a_100000194580_200025704644 [0,2,0,0,0,0|0,0,1]=3 1649 B7R0.6 CC(=O)NCC(C)C 11a_100000210953_100015343762 [0,2,0,0,0,0|0,0,2]=4 1650 B7R0.6 CC(=O)NCC(C)C 1626a_100000210953_100015343762 [0,2,0,0,0,0|0,0,2]=4 1651 B7R0.6 CC(=O)NCC(C)C 240690a_100000210953_100015343762 [0,2,0,0,0,0|0,0,2]=4 1652 B7R0.6 CC(=O)NCC(C)C 527a_100000210953_100103153847 [0,2,0,0,0,0|0,0,2]=4 1653 B7R0.6 CC(=O)NCC(C)O 11a_100000210904_100015343762 [0,2,0,0,0,0|0,0,2]=4 1654 B7R0.6 CC(=O)NCC(C)O 240690a_100000210904_100015343762 [0,2,0,0,0,0|0,0,2]=4 1655 B7R0.6 CC(=O)NCC(C)O 527a_100000210904_100103153847 [0,2,0,0,0,0|0,0,2]=4 1656 B7R0.6 CC(=O)NCC(F)F 11a_100000765723_100015343762 [0,2,0,0,0,0|1,0,1]=4 1657 B7R0.6 CC(=O)NCC(F)F 1626a_100000765723_100015343762 [0,2,0,0,0,0|1,0,1]=4 1658 B7R0.6 CC(=O)NCC(F)F 240690a_100000765723_100015343762 [0,2,0,0,0,0|1,0,1]=4 1659 B7R0.6 CC(=O)NCC(F)F 527a_100000765723_100103153847 [0,2,0,0,0,0|1,0,1]=4 1660 B7R0.6 CC(=O)NNC(=O)C 22a_100000189765_100000070787 [0,2,0,0,0,0|1,0,0]=3 1661 B7R0.6 CC(=O)NNC(C)C 22a_100000741168_100000070787 [0,2,0,0,0,0|1,0,1]=4 1662 B7R0.6 CC(=O)OCC(=O)[13CH3] 1458a_100000183556_200025704644 [0,2,0,0,0,0|0,0,1]=3 1663 B7R0.6 CC(=O)OCN(C)C 269982a_100102631434_100000076356 [0,2,0,0,0,0|1,0,1]=4 1664 B7R0.6 CC(=O)SCC(=O)[13CH3] 1458a_100000049016_200025704644 [0,2,0,0,0,0|0,0,1]=3 1665 B7R0.6 CC(C)C=CC(=O)[13CH3] 1458a_100016268746_200025704644 [0,2,0,0,0,0|0,0,0]=2 1666 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [0,2,0,0,0,0|0,0,2]=4 1667 B7R0.6 CC(C)OCC(=O)[13CH3] 1458a_100000745533_200025704644 [0,2,0,0,0,0|0,0,2]=4 1668 B7R0.6 CC(C)SCC(=O)[13CH3] 1458a_100000241585_200025704644 [0,2,0,0,0,0|0,0,2]=4 1669 B7R0.6 C[S+](C)CCC(=O)[13CH3] 1458a_100009452791_200025704644 [0,2,0,0,0,0|0,0,2]=4 1670 B7R0.6 [13CH3]C(=O)CCC(=O)N 1458a_100011215257_200025704644 [0,2,0,0,0,0|1,0,1]=4 1671 B7R0.6 [13CH3]C(=O)CNC(=O)N 1458a_100000184981_200025704644 [0,2,0,0,0,0|1,0,1]=4 1672 B7R0.6 [13CH3]C(=O)COC(F)F 1458a_200000719455_200025704644 [0,2,0,0,0,0|1,0,1]=4 1673 B7R0.6 [13CH3]C(=O)CSC(F)F 1458a_114828291038_200025704644 [0,2,0,0,0,0|1,0,1]=4 1674 B7R1.1 COc1ccsc1 34a_100000106738_200000210301 [0,1,0,1,0,0|2,0,0]=4 1675 B7R1.1 COc1ccsc1 7a_100000106738_200000210301 [0,1,0,1,0,0|2,0,0]=4 1676 B7R1.1 CSc1cc[nH]n1 62a_100000062575_200000210301 [0,1,0,1,0,0|2,0,0]=4 1677 B7R1.1 CSc1cc[nH]n1 62a_200000210301_100000062575 [0,1,0,1,0,0|2,0,0]=4 1678 B7R1.1 CSc1ccco1 62a_100009814098_200000210301 [0,1,0,1,0,0|0,0,2]=4 1679 B7R1.1 CSc1ccco1 62a_200000210301_100009814098 [0,1,0,1,0,0|0,0,2]=4 1680 B7R1.1 CSc1cccs1 62a_100011215356_200000210301 [0,1,0,1,0,0|0,1,1]=4 1681 B7R1.1 CSc1cccs1 62a_200000210301_100011215356 [0,1,0,1,0,0|0,1,1]=4 1682 B7R1.1 CSc1ccoc1 62a_100011215275_200000210301 [0,1,0,1,0,0|2,0,0]=4 1683 B7R1.1 CSc1ccoc1 62a_200000210301_100011215275 [0,1,0,1,0,0|2,0,0]=4 1684 B7R1.1 CSc1ccon1 62a_100009818083_200000210301 [0,1,0,1,0,0|2,0,0]=4 1685 B7R1.1 CSc1ccon1 62a_200000210301_100009818083 [0,1,0,1,0,0|2,0,0]=4 1686 B7R1.1 CSc1ccsc1 62a_100000738268_200000210301 [0,1,0,1,0,0|2,0,0]=4 1687 B7R1.1 CSc1ccsc1 62a_200000210301_100000738268 [0,1,0,1,0,0|2,0,0]=4 1688 B7R1.1 CSc1ccsn1 62a_100009818082_200000210301 [0,1,0,1,0,0|2,0,0]=4 1689 B7R1.1 CSc1ccsn1 62a_200000210301_100009818082 [0,1,0,1,0,0|2,0,0]=4 1690 B7R1.1 [13CH3]Oc1ccsc1 34a_100000106738_200025704644 [0,1,0,1,0,0|2,0,0]=4 1691 B7R1.1 [13CH3]Oc1ccsc1 7a_100000106738_200025704644 [0,1,0,1,0,0|2,0,0]=4 1692 B7R1.1 [13CH3]Sc1cc[nH]n1 62a_100000062575_200025704644 [0,1,0,1,0,0|2,0,0]=4 1693 B7R1.1 [13CH3]Sc1cc[nH]n1 62a_200025704644_100000062575 [0,1,0,1,0,0|2,0,0]=4 1694 B7R1.1 [13CH3]Sc1ccco1 62a_100009814098_200025704644 [0,1,0,1,0,0|0,0,2]=4 1695 B7R1.1 [13CH3]Sc1ccco1 62a_200025704644_100009814098 [0,1,0,1,0,0|0,0,2]=4 1696 B7R1.1 [13CH3]Sc1cccs1 62a_100011215356_200025704644 [0,1,0,1,0,0|0,1,1]=4 1697 B7R1.1 [13CH3]Sc1cccs1 62a_200025704644_100011215356 [0,1,0,1,0,0|0,1,1]=4 1698 B7R1.1 [13CH3]Sc1ccoc1 62a_100011215275_200025704644 [0,1,0,1,0,0|2,0,0]=4 1699 B7R1.1 [13CH3]Sc1ccoc1 62a_200025704644_100011215275 [0,1,0,1,0,0|2,0,0]=4 1700 B7R1.1 [13CH3]Sc1ccon1 62a_100009818083_200025704644 [0,1,0,1,0,0|2,0,0]=4 1701 B7R1.1 [13CH3]Sc1ccon1 62a_200025704644_100009818083 [0,1,0,1,0,0|2,0,0]=4 1702 B7R1.1 [13CH3]Sc1ccsc1 62a_100000738268_200025704644 [0,1,0,1,0,0|2,0,0]=4 1703 B7R1.1 [13CH3]Sc1ccsc1 62a_200025704644_100000738268 [0,1,0,1,0,0|2,0,0]=4 1704 B7R1.1 [13CH3]Sc1ccsn1 62a_100009818082_200025704644 [0,1,0,1,0,0|2,0,0]=4 1705 B7R1.1 [13CH3]Sc1ccsn1 62a_200025704644_100009818082 [0,1,0,1,0,0|2,0,0]=4 1706 B7R1.2 CN1CNC(=O)C1 2230a_200000708111_200000210301 [0,1,0,1,0,0|1,0,1]=4 1707 B7R1.2 Cc1c[nH]c(n1)O 271570a_203496583355_100161115468 [0,1,0,1,0,0|1,0,1]=4 1708 B7R1.2 Cc1cc(cs1)O 271570a_203496583355_100000759034 [0,1,0,1,0,0|0,0,2]=4 1709 B7R1.2 Cc1cc(n[nH]1)O 271570a_203496583355_100015199547 [0,1,0,1,0,0|1,0,1]=4 1710 B7R1.2 Cc1cc(sn1)O 271570a_203496583355_100009815735 [0,1,0,1,0,0|1,0,1]=4 1711 B7R1.2 Cc1ccc(s1)O 271570a_203496583355_100000761539 [0,1,0,1,0,0|0,1,1]=4 1712 B7R1.2 Cc1cn(nn1)C 274090a_200000210301_200000242740 [0,1,0,1,0,0|2,0,0]=4 1713 B7R1.2 Cc1cn(nn1)[13CH3] 274090a_200025704644_200000242740 [0,1,0,1,0,0|2,0,0]=4 1714 B7R1.2 Cc1cnc(s1)O 271570a_203496583355_100000690809 [0,1,0,1,0,0|1,0,1]=4 1715 B7R1.2 Cc1csc(c1)O 271570a_203496583355_100009876951 [0,1,0,1,0,0|0,0,2]=4 1716 B7R1.2 Cc1csc(n1)O 271570a_203496583355_100011291629 [0,1,0,1,0,0|1,0,1]=4 1717 B7R1.2 Cc1nc(c[nH]1)O 271570a_203496583355_100009814057 [0,1,0,1,0,0|1,0,1]=4 1718 B7R1.2 Cc1nc(cs1)O 271570a_203496583355_100011934587 [0,1,0,1,0,0|1,0,1]=4 1719 B7R1.2 Cc1ncc(s1)O 271570a_203496583355_100000764884 [0,1,0,1,0,0|1,0,1]=4 1720 B7R1.2 Cc1noc(n1)C 270196a_100000212224_100000070787 [0,1,0,1,0,0|1,0,1]=4 1721 B7R1.2 Cn1ccc(n1)O 271570a_203496583355_100000752436 [0,1,0,1,0,0|1,0,1]=4 1722 B7R1.2 [13CH3]N1CNC(=O)C1 2230a_200000708111_200025704644 [0,1,0,1,0,0|1,0,1]=4 1723 B7R1.3 CN1CC=CCC1 2230a_100000698166_200000210301 [0,1,0,1,0,0|2,0,0]=4 1724 B7R1.3 CN1CC=CCC1 269982a_100000698166_200000210301 [0,1,0,1,0,0|2,0,0]=4 1725 B7R1.3 CN1CC=CCC1 34a_100000698166_200000210301 [0,1,0,1,0,0|2,0,0]=4 1726 B7R1.3 [13CH3]N1CC=CCC1 2230a_100000698166_200025704644 [0,1,0,1,0,0|2,0,0]=4 1727 B7R1.3 [13CH3]N1CC=CCC1 269982a_100000698166_200025704644 [0,1,0,1,0,0|2,0,0]=4 1728 B7R1.3 [13CH3]N1CC=CCC1 34a_100000698166_200025704644 [0,1,0,1,0,0|2,0,0]=4 1729 B7R1.4 Cc1ccsc1O 271570a_203496583355_100000742657 [0,1,0,1,0,0|1,0,1]=4 1730 B7R1.4 Cc1cscc1O 271570a_203496583355_100000759966 [0,1,0,1,0,0|2,0,0]=4 1731 B7R1.4 Cc1n[nH]cc1O 271570a_203496583355_100011912673 [0,1,0,1,0,0|2,0,0]=4 1732 B7R1.4 Cc1oncc1O 271570a_203496583355_100009872056 [0,1,0,1,0,0|1,0,1]=4 1733 B7R1.4 Cc1sccc1O 271570a_203496583355_100000684487 [0,1,0,1,0,0|0,1,1]=4 1734 B7R1.4 Cn1nccc1O 271570a_203496583355_100000688441 [0,1,0,1,0,0|1,0,1]=4 1735 B7R1.8 CNC1CCC1=O 34a_100102657272_100009892977 [0,1,0,1,0,0|1,0,1]=4 1736 B7R1.8 CNC1CCC1=O 7a_106832991635_100009892977 [0,1,0,1,0,0|1,0,1]=4 1737 B7R1.8 COC1CCC1=O 34a_100138415774_100009892977 [0,1,0,1,0,0|1,0,1]=4 1738 B7R1.8 CSC1CCC1=O 62a_100009892977_200000210301 [0,1,0,1,0,0|1,0,1]=4 1739 B7R1.8 CSC1CCC1=O 62a_200000210301_100009892977 [0,1,0,1,0,0|1,0,1]=4 1740 B7R1.8 [13CH3]SC1CCC1=O 62a_100009892977_200025704644 [0,1,0,1,0,0|1,0,1]=4 1741 B7R1.8 [13CH3]SC1CCC1=O 62a_200025704644_100009892977 [0,1,0,1,0,0|1,0,1]=4 1742 B7R1.10 CSC1CC(=O)C1 62a_100009894365_200000210301 [0,1,0,1,0,0|0,0,2]=4 1743 B7R1.10 [13CH3]SC1CC(=O)C1 62a_100009894365_200025704644 [0,1,0,1,0,0|0,0,2]=4 1744 B7R1.22 CCC(=O)C1CC1 1458a_100000210395_100000210202 [0,1,0,1,0,0|0,0,2]=4 1745 B7R1.22 CCC(=O)C1CO1 1458a_100000701028_100000210202 [0,1,0,1,0,0|1,0,1]=4 1746 B7R1.22 CNC(=O)C1CC1 11a_106832991635_100000210395 [0,1,0,1,0,0|0,0,2]=4 1747 B7R1.22 CNC(=O)C1CC1 1626a_100102657272_100000210395 [0,1,0,1,0,0|0,0,2]=4 1748 B7R1.22 CNC(=O)C1CC1 240690a_100102657272_100000210395 [0,1,0,1,0,0|0,0,2]=4 1749 B7R1.22 CNC(=O)C1CC1 527a_100102657272_100000210395 [0,1,0,1,0,0|0,0,2]=4 1750 B7R1.22 CNC(=O)C1CO1 11a_106832991635_100000701028 [0,1,0,1,0,0|1,0,1]=4 1751 B7R1.22 CNC(=O)C1CO1 1626a_100102657272_100000701028 [0,1,0,1,0,0|1,0,1]=4 1752 B7R1.22 CNC(=O)C1CO1 240690a_100102657272_100000701028 [0,1,0,1,0,0|1,0,1]=4 1753 B7R1.22 CNC(=O)C1CO1 527a_100102657272_100000701028 [0,1,0,1,0,0|1,0,1]=4 1754 B7R1.22 O=C(CF)C1CC1 1458a_100000210395_100015361967 [0,1,0,1,0,0|0,0,2]=4 1755 B7R1.22 O=C(CF)C1CO1 1458a_100000701028_100015361967 [0,1,0,1,0,0|1,0,1]=4 1756 B7R1.12 CC(=O)C1CC1C 1458a_100000211227_200000210301 [0,1,0,1,0,0|0,0,2]=4 1757 B7R1.12 CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200000210301 [0,1,0,1,0,0|0,0,2]=4 1758 B7R1.12 CC1CC1C(=O)[13CH3] 1458a_100000211227_200025704644 [0,1,0,1,0,0|0,0,2]=4 1759 B7R1.12 [13CH3]C(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200025704644 [0,1,0,1,0,0|0,0,2]=4 1760 B7R1.20 CC(=O)CC1CC1 1458a_100000070787_100000742324 [0,1,0,1,0,0|0,0,2]=4 1761 B7R1.20 CC(=O)CC1CC1 1458a_100000738066_200000210301 [0,1,0,1,0,0|0,0,2]=4 1762 B7R1.20 CC(=O)CC1CO1 1458a_100000070787_100011216344 [0,1,0,1,0,0|0,0,2]=4 1763 B7R1.20 CC(=O)CC1CS1 1458a_100000070787_100000031435 [0,1,0,1,0,0|0,0,2]=4 1764 B7R1.20 CC(=O)C[C@@H]1CO1 1458a_100000070787_100000745022 [0,1,0,1,0,0|0,0,2]=4 1765 B7R1.20 CC(=O)NC1CC1 1626a_100000212008_100015343762 [0,1,0,1,0,0|0,0,2]=4 1766 B7R1.20 CC(=O)NC1CC1 240690a_100000212008_100015343762 [0,1,0,1,0,0|0,0,2]=4 1767 B7R1.20 CC(=O)NC1CC1 527a_100000212008_100103153847 [0,1,0,1,0,0|0,0,2]=4 1768 B7R1.20 [13CH3]C(=O)CC1CC1 1458a_100000738066_200025704644 [0,1,0,1,0,0|0,0,2]=4 1769 B7R1.18 CC(=O)C1CCC1 1458a_100000070787_100000749161 [0,1,0,1,0,0|0,0,2]=4 1770 B7R1.18 CC(=O)C1CCC1 1458a_100000209988_200000210301 [0,1,0,1,0,0|0,0,2]=4 1771 B7R1.18 CC(=O)C1CCO1 1458a_100000089072_200000210301 [0,1,0,1,0,0|0,0,2]=4 1772 B7R1.18 CC(=O)C1COC1 1458a_100000070787_100000687716 [0,1,0,1,0,0|0,0,2]=4 1773 B7R1.18 CC(=O)C1COC1 1458a_100000758290_200000210301 [0,1,0,1,0,0|0,0,2]=4 1774 B7R1.18 CC(=O)N1CCC1 11a_100000754969_100015343762 [0,1,0,1,0,0|0,0,2]=4 1775 B7R1.18 CC(=O)N1CCC1 240690a_100000754969_100015343762 [0,1,0,1,0,0|0,0,2]=4 1776 B7R1.18 CC(=O)N1CCC1 527a_100000754969_100103153847 [0,1,0,1,0,0|0,0,2]=4 1777 B7R1.18 [13CH3]C(=O)C1CCC1 1458a_100000209988_200025704644 [0,1,0,1,0,0|0,0,2]=4 1778 B7R1.18 [13CH3]C(=O)C1CCO1 1458a_100000089072_200025704644 [0,1,0,1,0,0|0,0,2]=4 1779 B7R1.18 [13CH3]C(=O)C1COC1 1458a_100000758290_200025704644 [0,1,0,1,0,0|0,0,2]=4 1780 B7R1.19 CC(=O)C1(CC1)C 1458a_100000756474_200000210301 [0,1,0,1,0,0|0,0,2]=4 1781 B7R1.19 CC(=O)C1(CC1)F 1458a_100000055089_200000210301 [0,1,0,1,0,0|0,0,2]=4 1782 B7R1.19 CC(=O)C1(CC1)O 1458a_100000241761_200000210301 [0,1,0,1,0,0|0,0,2]=4 1783 B7R1.19 CC1(CC1)C(=O)[13CH3] 1458a_100000756474_200025704644 [0,1,0,1,0,0|0,0,2]=4 1784 B7R1.19 [13CH3]C(=O)C1(CC1)F 1458a_100000055089_200025704644 [0,1,0,1,0,0|0,0,2]=4 1785 B7R1.19 [13CH3]C(=O)C1(CC1)O 1458a_100000241761_200025704644 [0,1,0,1,0,0|0,0,2]=4