0 B4R0.1 C#CC(=O)C 1458a_100000211873_200000210301 [0,0,0,0,0,0|0,0,2]=2 1 B4R0.1 C#CC(=O)[13CH3] 1458a_100000211873_200025704644 [0,0,0,0,0,0|0,0,2]=2 2 B4R0.1 C=CC(=O)C 1458a_100000185746_200000210301 [0,0,0,0,0,0|0,0,2]=2 3 B4R0.1 C=CC(=O)[13CH3] 1458a_100000185746_200025704644 [0,0,0,0,0,0|0,0,2]=2 4 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [0,0,0,0,0,0|1,0,0]=1 5 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [0,0,0,0,0,0|1,0,0]=1 6 B4R0.1 CC(C)N[13CH3] 2230a_100138425928_200025704644 [0,0,0,0,0,0|2,0,1]=3 7 B4R0.1 CC(C)N[13CH3] 34a_100138425928_200025704644 [0,0,0,0,0,0|2,0,1]=3 8 B4R0.1 CC(C)O[13CH3] 34a_100000212225_200025704644 [0,0,0,0,0,0|2,0,1]=3 9 B4R0.1 CC(C)S[13CH3] 62a_100000210206_200025704644 [0,0,0,0,0,0|2,0,1]=3 10 B4R0.1 CC(C)S[13CH3] 62a_200025704644_100000210206 [0,0,0,0,0,0|2,0,1]=3 11 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [0,0,0,0,0,0|0,0,0]=0 12 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [0,0,0,0,0,0|0,0,0]=0 13 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [0,0,0,0,0,0|0,0,0]=0 14 B4R0.1 CCN(C)C 2230a_100000225621_200000210301 [0,0,0,0,0,0|2,0,0]=2 15 B4R0.1 CCN(C)C 2230a_100102631434_100000210202 [0,0,0,0,0,0|2,0,0]=2 16 B4R0.1 CCN(C)C 269982a_100000225621_200000210301 [0,0,0,0,0,0|2,0,0]=2 17 B4R0.1 CCN(C)C 269982a_100102631434_100000204670 [0,0,0,0,0,0|2,0,0]=2 18 B4R0.1 CCN(C)[13CH3] 2230a_100000225621_200025704644 [0,0,0,0,0,0|2,0,0]=2 19 B4R0.1 CCN(C)[13CH3] 269982a_100000225621_200025704644 [0,0,0,0,0,0|2,0,0]=2 20 B4R0.1 CN(C)CF 269982a_100102631434_100015361967 [0,0,0,0,0,0|3,0,0]=3 21 B4R0.1 CNC(=O)C 11a_106832991635_100015343762 [0,0,0,0,0,0|1,0,0]=1 22 B4R0.1 CNC(=O)C 1626a_100102657272_100015343762 [0,0,0,0,0,0|1,0,0]=1 23 B4R0.1 CNC(=O)C 240690a_100102657272_100015343762 [0,0,0,0,0,0|1,0,0]=1 24 B4R0.1 CNC(=O)C 527a_100102657272_100103153847 [0,0,0,0,0,0|1,0,0]=1 25 B4R0.1 CNC(C)C 2230a_100138425928_200000210301 [0,0,0,0,0,0|2,0,1]=3 26 B4R0.1 CNC(C)C 2230a_106832991635_100000210206 [0,0,0,0,0,0|2,0,1]=3 27 B4R0.1 CNC(C)C 34a_100102657272_100000210206 [0,0,0,0,0,0|2,0,1]=3 28 B4R0.1 CNC(C)C 34a_100138425928_200000210301 [0,0,0,0,0,0|2,0,1]=3 29 B4R0.1 CNC(C)C 7a_106832991635_100000210206 [0,0,0,0,0,0|2,0,1]=3 30 B4R0.1 COC(C)C 34a_100000212225_200000210301 [0,0,0,0,0,0|2,0,1]=3 31 B4R0.1 COC(C)C 34a_100138415774_100000210206 [0,0,0,0,0,0|2,0,1]=3 32 B4R0.1 CSC(C)C 62a_100000210206_200000210301 [0,0,0,0,0,0|2,0,1]=3 33 B4R0.1 CSC(C)C 62a_200000210301_100000210206 [0,0,0,0,0,0|2,0,1]=3 34 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [0,0,0,0,0,0|1,0,0]=1 35 B3R0.1 CCNC 2230a_100015525214_200000210301 [1,0,0,0,0,0|1,0,0]=2 36 B3R0.1 CCNC 2230a_106832991635_100000210202 [1,0,0,0,0,0|1,0,0]=2 37 B3R0.1 CCNC 34a_100102657272_100000210202 [1,0,0,0,0,0|1,0,0]=2 38 B3R0.1 CCNC 7a_106832991635_100000210202 [1,0,0,0,0,0|1,0,0]=2 39 B3R0.1 CCN[13CH3] 2230a_100015525214_200025704644 [1,0,0,0,0,0|1,0,0]=2 40 B3R0.1 CCOC 34a_100121572206_200000210301 [1,0,0,0,0,0|1,0,0]=2 41 B3R0.1 CCOC 34a_100138415774_100000210202 [1,0,0,0,0,0|1,0,0]=2 42 B3R0.1 CCO[13CH3] 34a_100121572206_200025704644 [1,0,0,0,0,0|1,0,0]=2 43 B3R0.1 CCSC 62a_100000210202_200000210301 [1,0,0,0,0,0|1,0,0]=2 44 B3R0.1 CCSC 62a_200000210301_100000210202 [1,0,0,0,0,0|1,0,0]=2 45 B3R0.1 CCS[13CH3] 62a_100000210202_200025704644 [1,0,0,0,0,0|1,0,0]=2 46 B3R0.1 CCS[13CH3] 62a_200025704644_100000210202 [1,0,0,0,0,0|1,0,0]=2 47 B3R0.1 CNCF 34a_100102657272_100015361967 [1,0,0,0,0,0|2,0,0]=3 48 B3R0.1 CNCF 7a_106832991635_100015361967 [1,0,0,0,0,0|2,0,0]=3 49 B3R0.1 COCF 34a_100138415774_100015361967 [1,0,0,0,0,0|2,0,0]=3 50 B3R0.1 CSCF 62a_100015361967_200000210301 [1,0,0,0,0,0|2,0,0]=3 51 B3R0.1 CSCF 62a_200000210301_100015361967 [1,0,0,0,0,0|2,0,0]=3 52 B3R0.1 [13CH3]SCF 62a_100015361967_200025704644 [1,0,0,0,0,0|2,0,0]=3 53 B3R0.1 [13CH3]SCF 62a_200025704644_100015361967 [1,0,0,0,0,0|2,0,0]=3 54 B3R0.2 CC(=O)C 1458a_100000070787_200000210301 [1,0,0,0,0,0|0,0,0]=1 55 B3R0.2 CC(=O)[13CH3] 1458a_100000070787_200025704644 [1,0,0,0,0,0|0,0,0]=1 56 B3R0.2 CN(C)C 2230a_100102631434_200000210301 [1,0,0,0,0,0|2,0,0]=3 57 B3R0.2 CN(C)C 269982a_100102631434_200000210301 [1,0,0,0,0,0|2,0,0]=3 58 B3R0.2 CN(C)[13CH3] 2230a_100102631434_200025704644 [1,0,0,0,0,0|2,0,0]=3 59 B3R0.2 CN(C)[13CH3] 269982a_100102631434_200025704644 [1,0,0,0,0,0|2,0,0]=3 60 B5R0.1 C#CCC(=O)C 1458a_100000070787_100000184674 [0,1,0,0,0,0|0,0,1]=2 61 B5R0.1 C#CCC(=O)C 1458a_100011220946_200000210301 [0,1,0,0,0,0|0,0,1]=2 62 B5R0.1 C#CCC(=O)[13CH3] 1458a_100011220946_200025704644 [0,1,0,0,0,0|0,0,1]=2 63 B5R0.1 C#CCN(C)C 2230a_100000225692_200000210301 [0,1,0,0,0,0|2,0,1]=4 64 B5R0.1 C#CCN(C)C 2230a_100102631434_100000038162 [0,1,0,0,0,0|2,0,1]=4 65 B5R0.1 C#CCN(C)C 34a_100000225692_200000210301 [0,1,0,0,0,0|2,0,1]=4 66 B5R0.1 C#CCN(C)[13CH3] 2230a_100000225692_200025704644 [0,1,0,0,0,0|2,0,1]=4 67 B5R0.1 C#CCN(C)[13CH3] 34a_100000225692_200025704644 [0,1,0,0,0,0|2,0,1]=4 68 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [0,1,0,0,0,0|1,0,0]=2 69 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [0,1,0,0,0,0|1,0,0]=2 70 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [0,1,0,0,0,0|1,0,0]=2 71 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [0,1,0,0,0,0|1,0,0]=2 72 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [0,1,0,0,0,0|1,0,0]=2 73 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [0,1,0,0,0,0|1,0,0]=2 74 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [0,1,0,0,0,0|1,0,0]=2 75 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [0,1,0,0,0,0|1,0,0]=2 76 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [0,1,0,0,0,0|1,0,0]=2 77 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [0,1,0,0,0,0|1,0,0]=2 78 B5R0.1 C=C(F)CNC 2230a_106832991635_100009893438 [0,1,0,0,0,0|1,0,1]=3 79 B5R0.1 C=C(F)CNC 34a_100102657272_100009893438 [0,1,0,0,0,0|1,0,1]=3 80 B5R0.1 C=C(F)CNC 7a_106832991635_100000042424 [0,1,0,0,0,0|1,0,1]=3 81 B5R0.1 C=C(F)COC 34a_100138415774_100009893438 [0,1,0,0,0,0|1,0,1]=3 82 B5R0.1 C=C(F)COC 34a_200010262243_200000210301 [0,1,0,0,0,0|1,0,1]=3 83 B5R0.1 C=C(F)CO[13CH3] 34a_200010262243_200025704644 [0,1,0,0,0,0|1,0,1]=3 84 B5R0.1 C=C(F)CSC 62a_100000042424_200000210301 [0,1,0,0,0,0|1,0,1]=3 85 B5R0.1 C=C(F)CSC 62a_200000210301_100000042424 [0,1,0,0,0,0|1,0,1]=3 86 B5R0.1 C=C(F)CS[13CH3] 62a_100000042424_200025704644 [0,1,0,0,0,0|1,0,1]=3 87 B5R0.1 C=C(F)CS[13CH3] 62a_200025704644_100000042424 [0,1,0,0,0,0|1,0,1]=3 88 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [0,1,0,0,0,0|0,0,1]=2 89 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [0,1,0,0,0,0|0,0,1]=2 90 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [0,1,0,0,0,0|0,0,1]=2 91 B5R0.1 C=CCN(C)C 2230a_100000225617_200000210301 [0,1,0,0,0,0|2,0,1]=4 92 B5R0.1 C=CCN(C)C 2230a_100102631434_100000210623 [0,1,0,0,0,0|2,0,1]=4 93 B5R0.1 C=CCN(C)C 269982a_100000225617_200000210301 [0,1,0,0,0,0|2,0,1]=4 94 B5R0.1 C=CCN(C)C 269982a_100102631434_100000210623 [0,1,0,0,0,0|2,0,1]=4 95 B5R0.1 C=CCN(C)[13CH3] 2230a_100000225617_200025704644 [0,1,0,0,0,0|2,0,1]=4 96 B5R0.1 C=CCN(C)[13CH3] 269982a_100000225617_200025704644 [0,1,0,0,0,0|2,0,1]=4 97 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [0,1,0,0,0,0|0,0,1]=2 98 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [0,1,0,0,0,0|0,0,1]=2 99 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [0,1,0,0,0,0|0,0,2]=3 100 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [0,1,0,0,0,0|0,0,2]=3 101 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [0,1,0,0,0,0|0,0,2]=3 102 B5R0.1 CC(=O)CC#N 1458a_100000070787_100011214920 [0,1,0,0,0,0|0,0,1]=2 103 B5R0.1 CC(=O)CC#N 1458a_100051588842_200000210301 [0,1,0,0,0,0|0,0,1]=2 104 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [0,1,0,0,0,0|0,0,0]=1 105 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [0,1,0,0,0,0|0,0,0]=1 106 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [0,1,0,0,0,0|0,0,0]=1 107 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [0,1,0,0,0,0|0,0,0]=1 108 B5R0.1 CC(Br)CO[13CH3] 34a_100012180447_200025704644 [0,1,0,0,0,0|1,0,1]=3 109 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [0,1,0,0,0,0|1,0,1]=3 110 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [0,1,0,0,0,0|1,0,1]=3 111 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [0,1,0,0,0,0|1,0,1]=3 112 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [0,1,0,0,0,0|1,0,1]=3 113 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [0,1,0,0,0,0|1,0,1]=3 114 B5R0.1 CC(C)NCF 34a_100138425928_100015361967 [0,1,0,0,0,0|2,0,1]=4 115 B5R0.1 CC(C)OCF 34a_100000212225_100015361967 [0,1,0,0,0,0|2,0,1]=4 116 B5R0.1 CC(C)SCF 62a_100000210206_100015361967 [0,1,0,0,0,0|2,0,1]=4 117 B5R0.1 CC(C)SCF 62a_100015361967_100000210206 [0,1,0,0,0,0|2,0,1]=4 118 B5R0.1 CC(F)CO[13CH3] 34a_100015925927_200025704644 [0,1,0,0,0,0|1,0,1]=3 119 B5R0.1 CC(O)CN[13CH3] 2230a_100000210904_200025704644 [0,1,0,0,0,0|0,0,2]=3 120 B5R0.1 CC(O)CN[13CH3] 34a_100000210904_200025704644 [0,1,0,0,0,0|0,0,2]=3 121 B5R0.1 CC(O)CS[13CH3] 62a_100011218427_200025704644 [0,1,0,0,0,0|0,0,2]=3 122 B5R0.1 CC(O)CS[13CH3] 62a_200025704644_100011218427 [0,1,0,0,0,0|0,0,2]=3 123 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [0,1,0,0,0,0|0,0,1]=2 124 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [0,1,0,0,0,0|0,0,1]=2 125 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [0,1,0,0,0,0|0,0,0]=1 126 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [0,1,0,0,0,0|0,0,0]=1 127 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [0,1,0,0,0,0|0,0,0]=1 128 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [0,1,0,0,0,0|2,0,0]=3 129 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [0,1,0,0,0,0|2,0,0]=3 130 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [0,1,0,0,0,0|2,0,0]=3 131 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [0,1,0,0,0,0|2,0,0]=3 132 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [0,1,0,0,0,0|2,0,0]=3 133 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [0,1,0,0,0,0|2,0,0]=3 134 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [0,1,0,0,0,0|0,0,0]=1 135 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [0,1,0,0,0,0|0,0,0]=1 136 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [0,1,0,0,0,0|0,0,0]=1 137 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [0,1,0,0,0,0|1,0,1]=3 138 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [0,1,0,0,0,0|1,0,1]=3 139 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [0,1,0,0,0,0|1,0,1]=3 140 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [0,1,0,0,0,0|1,0,1]=3 141 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [0,1,0,0,0,0|1,0,1]=3 142 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [0,1,0,0,0,0|1,0,1]=3 143 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [0,1,0,0,0,0|1,0,1]=3 144 B5R0.1 CN(C)CC#N 2230a_100000748184_200000210301 [0,1,0,0,0,0|2,0,1]=4 145 B5R0.1 CN(C)CC#N 2230a_100102631434_100011215382 [0,1,0,0,0,0|2,0,1]=4 146 B5R0.1 CN(C)CC#N 269982a_100102631434_100011214920 [0,1,0,0,0,0|2,0,1]=4 147 B5R0.1 CN(C)CC=O 2230a_100102631434_200015260668 [0,1,0,0,0,0|2,0,1]=4 148 B5R0.1 CN(C)CC=O 269982a_100102631434_200015260668 [0,1,0,0,0,0|2,0,1]=4 149 B5R0.1 CN(C)CCF 2230a_100102631434_100011217306 [0,1,0,0,0,0|2,0,0]=3 150 B5R0.1 CN(C)CCF 269982a_100102631434_100011217306 [0,1,0,0,0,0|2,0,0]=3 151 B5R0.1 CN(C)CCO 2230a_100000210263_200000210301 [0,1,0,0,0,0|2,0,0]=3 152 B5R0.1 CN(C)CCO 2230a_100102631434_100000211926 [0,1,0,0,0,0|2,0,0]=3 153 B5R0.1 CN(C)CCO 269982a_100000210263_200000210301 [0,1,0,0,0,0|2,0,0]=3 154 B5R0.1 CN(C)CCO 269982a_100102631434_100000211926 [0,1,0,0,0,0|2,0,0]=3 155 B5R0.1 CN([13CH3])CC#N 2230a_100000748184_200025704644 [0,1,0,0,0,0|2,0,1]=4 156 B5R0.1 CN([13CH3])CCO 2230a_100000210263_200025704644 [0,1,0,0,0,0|2,0,0]=3 157 B5R0.1 CN([13CH3])CCO 269982a_100000210263_200025704644 [0,1,0,0,0,0|2,0,0]=3 158 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [0,1,0,0,0,0|1,0,0]=2 159 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [0,1,0,0,0,0|1,0,0]=2 160 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [0,1,0,0,0,0|1,0,0]=2 161 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [0,1,0,0,0,0|1,0,0]=2 162 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [0,1,0,0,0,0|1,0,0]=2 163 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [0,1,0,0,0,0|1,0,0]=2 164 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [0,1,0,0,0,0|1,0,1]=3 165 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [0,1,0,0,0,0|1,0,1]=3 166 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [0,1,0,0,0,0|1,0,1]=3 167 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [0,1,0,0,0,0|1,0,1]=3 168 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [0,1,0,0,0,0|1,0,1]=3 169 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [0,1,0,0,0,0|1,0,1]=3 170 B5R0.1 CNCC(C)O 2230a_100000210904_200000210301 [0,1,0,0,0,0|0,0,2]=3 171 B5R0.1 CNCC(C)O 2230a_106832991635_100011218427 [0,1,0,0,0,0|0,0,2]=3 172 B5R0.1 CNCC(C)O 34a_100000210904_200000210301 [0,1,0,0,0,0|0,0,2]=3 173 B5R0.1 CNCC(C)O 34a_100102657272_100011218427 [0,1,0,0,0,0|0,0,2]=3 174 B5R0.1 CNCC(C)O 7a_106832991635_100011218427 [0,1,0,0,0,0|0,0,2]=3 175 B5R0.1 CNCC(F)F 2230a_106832991635_100011934356 [0,1,0,0,0,0|2,0,1]=4 176 B5R0.1 CNCC(F)F 34a_100000765723_200000210301 [0,1,0,0,0,0|2,0,1]=4 177 B5R0.1 CNCC(F)F 34a_100102657272_100011934356 [0,1,0,0,0,0|2,0,1]=4 178 B5R0.1 CNCC(F)F 7a_106832991635_100011934356 [0,1,0,0,0,0|2,0,1]=4 179 B5R0.1 CNC[C@@H](C)O 2230a_106832991635_100009817552 [0,1,0,0,0,0|0,0,2]=3 180 B5R0.1 CNC[C@@H](C)O 34a_100102657272_100009817552 [0,1,0,0,0,0|0,0,2]=3 181 B5R0.1 CNC[C@@H](C)O 7a_106832991635_100009817552 [0,1,0,0,0,0|0,0,2]=3 182 B5R0.1 CNC[N+](=O)[O-] 34a_100102657272_100000761209 [0,1,0,0,0,0|2,0,0]=3 183 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [0,1,0,0,0,0|1,0,0]=2 184 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [0,1,0,0,0,0|0,0,0]=1 185 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [0,1,0,0,0,0|0,0,0]=1 186 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [0,1,0,0,0,0|1,0,0]=2 187 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [0,1,0,0,0,0|0,0,0]=1 188 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [0,1,0,0,0,0|1,0,0]=2 189 B5R0.1 COCC(C)Br 34a_100012180447_200000210301 [0,1,0,0,0,0|1,0,1]=3 190 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [0,1,0,0,0,0|1,0,1]=3 191 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [0,1,0,0,0,0|1,0,1]=3 192 B5R0.1 COCC(C)F 34a_100015925927_200000210301 [0,1,0,0,0,0|1,0,1]=3 193 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [0,1,0,0,0,0|0,0,2]=3 194 B5R0.1 COCC(F)F 34a_100000743014_200000210301 [0,1,0,0,0,0|2,0,1]=4 195 B5R0.1 COCC(F)F 34a_100138415774_100011934356 [0,1,0,0,0,0|2,0,1]=4 196 B5R0.1 COCN(C)C 2230a_100102631434_100000766300 [0,1,0,0,0,0|2,0,0]=3 197 B5R0.1 COCN(C)C 269982a_100102631434_100000766300 [0,1,0,0,0,0|2,0,0]=3 198 B5R0.1 COC[C@@H](C)Cl 34a_100016084084_200000210301 [0,1,0,0,0,0|1,0,1]=3 199 B5R0.1 COC[C@@H](C)N 34a_100000737577_200000210301 [0,1,0,0,0,0|1,0,1]=3 200 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [0,1,0,0,0,0|0,0,2]=3 201 B5R0.1 COC[N+](=O)[O-] 34a_100138415774_100000761209 [0,1,0,0,0,0|2,0,0]=3 202 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [0,1,0,0,0,0|0,0,0]=1 203 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [0,1,0,0,0,0|1,0,0]=2 204 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [0,1,0,0,0,0|1,0,0]=2 205 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [0,1,0,0,0,0|0,0,0]=1 206 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [0,1,0,0,0,0|1,0,0]=2 207 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [0,1,0,0,0,0|1,0,0]=2 208 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [0,1,0,0,0,0|1,0,1]=3 209 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [0,1,0,0,0,0|1,0,1]=3 210 B5R0.1 CSCC(C)O 62a_100011218427_200000210301 [0,1,0,0,0,0|0,0,2]=3 211 B5R0.1 CSCC(C)O 62a_200000210301_100011218427 [0,1,0,0,0,0|0,0,2]=3 212 B5R0.1 CSCC(F)F 62a_100011934356_200000210301 [0,1,0,0,0,0|2,0,1]=4 213 B5R0.1 CSCC(F)F 62a_200000210301_100011934356 [0,1,0,0,0,0|2,0,1]=4 214 B5R0.1 CSCN(C)C 2230a_100102631434_100011218213 [0,1,0,0,0,0|2,0,0]=3 215 B5R0.1 CSCN(C)C 269982a_100102631434_100011218213 [0,1,0,0,0,0|2,0,0]=3 216 B5R0.1 CSC[C@@H](C)O 62a_100009817552_200000210301 [0,1,0,0,0,0|0,0,2]=3 217 B5R0.1 CSC[C@@H](C)O 62a_200000210301_100009817552 [0,1,0,0,0,0|0,0,2]=3 218 B5R0.1 CSC[N+](=O)[O-] 62a_200000210301_100000761209 [0,1,0,0,0,0|2,0,0]=3 219 B5R0.1 C[C@@H](Cl)CO[13CH3] 34a_100016084084_200025704644 [0,1,0,0,0,0|1,0,1]=3 220 B5R0.1 C[C@@H](N)CO[13CH3] 34a_100000737577_200025704644 [0,1,0,0,0,0|1,0,1]=3 221 B5R0.1 C[C@@H](O)CS[13CH3] 62a_100009817552_200025704644 [0,1,0,0,0,0|0,0,2]=3 222 B5R0.1 C[C@@H](O)CS[13CH3] 62a_200025704644_100009817552 [0,1,0,0,0,0|0,0,2]=3 223 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [0,1,0,0,0,0|0,0,2]=3 224 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [0,1,0,0,0,0|0,0,2]=3 225 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [0,1,0,0,0,0|0,0,2]=3 226 B5R0.1 [13CH3]C(=O)CC#N 1458a_100051588842_200025704644 [0,1,0,0,0,0|0,0,1]=2 227 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [0,1,0,0,0,0|0,0,0]=1 228 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [0,1,0,0,0,0|1,0,0]=2 229 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [0,1,0,0,0,0|1,0,0]=2 230 B5R0.1 [13CH3]NCC(F)F 34a_100000765723_200025704644 [0,1,0,0,0,0|2,0,1]=4 231 B5R0.1 [13CH3]OCC(F)F 34a_100000743014_200025704644 [0,1,0,0,0,0|2,0,1]=4 232 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [0,1,0,0,0,0|1,0,0]=2 233 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [0,1,0,0,0,0|1,0,0]=2 234 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [0,1,0,0,0,0|1,0,0]=2 235 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [0,1,0,0,0,0|1,0,0]=2 236 B5R0.1 [13CH3]SCC(F)F 62a_100011934356_200025704644 [0,1,0,0,0,0|2,0,1]=4 237 B5R0.1 [13CH3]SCC(F)F 62a_200025704644_100011934356 [0,1,0,0,0,0|2,0,1]=4 238 B5R0.1 [13CH3]SC[N+](=O)[O-] 62a_200025704644_100000761209 [0,1,0,0,0,0|2,0,0]=3 239 B5R0.3 C#CC(=O)CC 1458a_100000211873_100000210202 [0,1,0,0,0,0|0,0,1]=2 240 B5R0.3 C#CC(=O)CF 1458a_100000211873_100015361967 [0,1,0,0,0,0|0,0,2]=3 241 B5R0.3 C#CC(C)NC 2230a_100000707721_200000210301 [0,1,0,0,0,0|2,0,1]=4 242 B5R0.3 C#CC(C)NC 34a_100000707721_200000210301 [0,1,0,0,0,0|2,0,1]=4 243 B5R0.3 C#CC(C)NC 34a_100102657272_200000035995 [0,1,0,0,0,0|2,0,1]=4 244 B5R0.3 C#CC(C)N[13CH3] 2230a_100000707721_200025704644 [0,1,0,0,0,0|2,0,1]=4 245 B5R0.3 C#CC(C)N[13CH3] 34a_100000707721_200025704644 [0,1,0,0,0,0|2,0,1]=4 246 B5R0.3 C#CC(C)OC 34a_100138415774_200000035995 [0,1,0,0,0,0|2,0,1]=4 247 B5R0.3 C#CC(C)SC 62a_200000035995_200000210301 [0,1,0,0,0,0|2,0,1]=4 248 B5R0.3 C#CC(C)S[13CH3] 62a_200000035995_200025704644 [0,1,0,0,0,0|2,0,1]=4 249 B5R0.3 C#C[C@@H](C)OC 34a_100009815206_200000210301 [0,1,0,0,0,0|2,0,1]=4 250 B5R0.3 C#C[C@@H](C)OC 7a_100009815206_200000210301 [0,1,0,0,0,0|2,0,1]=4 251 B5R0.3 C#C[C@@H](C)O[13CH3] 34a_100009815206_200025704644 [0,1,0,0,0,0|2,0,1]=4 252 B5R0.3 C#C[C@@H](C)O[13CH3] 7a_100009815206_200025704644 [0,1,0,0,0,0|2,0,1]=4 253 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [0,1,0,0,0,0|0,0,1]=2 254 B5R0.3 C=CC(=O)CF 1458a_100000185746_100015361967 [0,1,0,0,0,0|0,0,2]=3 255 B5R0.3 C=CC(=O)NC 1626a_100102657272_100000185746 [0,1,0,0,0,0|0,0,2]=3 256 B5R0.3 C=CC(=O)NC 240690a_100102657272_200121576911 [0,1,0,0,0,0|0,0,2]=3 257 B5R0.3 C=CC(C)OC 34a_100000695699_200000210301 [0,1,0,0,0,0|2,0,1]=4 258 B5R0.3 C=CC(C)O[13CH3] 34a_100000695699_200025704644 [0,1,0,0,0,0|2,0,1]=4 259 B5R0.3 C=CC(C)SC 62a_100011215867_200000210301 [0,1,0,0,0,0|2,0,1]=4 260 B5R0.3 C=CC(C)S[13CH3] 62a_100011215867_200025704644 [0,1,0,0,0,0|2,0,1]=4 261 B5R0.3 CC(C#N)N[13CH3] 2230a_100000737613_200025704644 [0,1,0,0,0,0|2,0,1]=4 262 B5R0.3 CC(C#N)O[13CH3] 34a_100011218135_200025704644 [0,1,0,0,0,0|2,0,1]=4 263 B5R0.3 CC(C#N)S[13CH3] 62a_100000703298_200025704644 [0,1,0,0,0,0|2,0,1]=4 264 B5R0.3 CC(C#N)S[13CH3] 62a_200025704644_100000703298 [0,1,0,0,0,0|2,0,1]=4 265 B5R0.3 CC(CF)O[13CH3] 34a_100016041109_200025704644 [0,1,0,0,0,0|1,0,2]=4 266 B5R0.3 CC(CF)O[13CH3] 7a_100016041109_200025704644 [0,1,0,0,0,0|1,0,2]=4 267 B5R0.3 CC(CN)O[13CH3] 34a_100000210904_200025704644 [0,1,0,0,0,0|1,0,2]=4 268 B5R0.3 CC(CO)S[13CH3] 62a_100012180447_200025704644 [0,1,0,0,0,0|1,0,2]=4 269 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [0,1,0,0,0,0|0,0,0]=1 270 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [0,1,0,0,0,0|0,0,0]=1 271 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [0,1,0,0,0,0|0,0,0]=1 272 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [0,1,0,0,0,0|0,0,0]=1 273 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [0,1,0,0,0,0|0,0,0]=1 274 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [0,1,0,0,0,0|0,0,0]=1 275 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [0,1,0,0,0,0|0,0,0]=1 276 B5R0.3 CCC(C)NC 2230a_100000209981_200000210301 [0,1,0,0,0,0|1,0,1]=3 277 B5R0.3 CCC(C)NC 2230a_106832991635_100000758301 [0,1,0,0,0,0|1,0,1]=3 278 B5R0.3 CCC(C)NC 34a_100102657272_100011215416 [0,1,0,0,0,0|1,0,1]=3 279 B5R0.3 CCC(C)NC 7a_106832991635_100000758301 [0,1,0,0,0,0|1,0,1]=3 280 B5R0.3 CCC(C)N[13CH3] 2230a_100000209981_200025704644 [0,1,0,0,0,0|1,0,1]=3 281 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [0,1,0,0,0,0|0,0,2]=3 282 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [0,1,0,0,0,0|0,0,2]=3 283 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [0,1,0,0,0,0|0,0,2]=3 284 B5R0.3 CCC(C)SC 62a_100000758301_200000210301 [0,1,0,0,0,0|0,1,1]=3 285 B5R0.3 CCC(C)SC 62a_200000210301_100000758301 [0,1,0,0,0,0|0,1,1]=3 286 B5R0.3 CCC(C)S[13CH3] 62a_100000758301_200025704644 [0,1,0,0,0,0|0,1,1]=3 287 B5R0.3 CCC(C)S[13CH3] 62a_200025704644_100000758301 [0,1,0,0,0,0|0,1,1]=3 288 B5R0.3 CCN(C)CC 2230a_100000225621_100000210202 [0,1,0,0,0,0|2,0,0]=3 289 B5R0.3 CCN(C)CC 2230a_100000724800_200000210301 [0,1,0,0,0,0|2,0,0]=3 290 B5R0.3 CCN(C)CC 269956a_100000042499_200000210301 [0,1,0,0,0,0|2,0,0]=3 291 B5R0.3 CCN(C)CC 269982a_100000225621_100000204670 [0,1,0,0,0,0|2,0,0]=3 292 B5R0.3 CCN(C)CC 269982a_100000724800_200000210301 [0,1,0,0,0,0|2,0,0]=3 293 B5R0.3 CCN(C)CF 269982a_100000225621_100015361967 [0,1,0,0,0,0|2,0,0]=3 294 B5R0.3 CCN([13CH3])CC 2230a_100000724800_200025704644 [0,1,0,0,0,0|2,0,0]=3 295 B5R0.3 CCN([13CH3])CC 269956a_100000042499_200025704644 [0,1,0,0,0,0|2,0,0]=3 296 B5R0.3 CCN([13CH3])CC 269982a_100000724800_200025704644 [0,1,0,0,0,0|2,0,0]=3 297 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [0,1,0,0,0,0|1,0,0]=2 298 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [0,1,0,0,0,0|1,0,0]=2 299 B5R0.3 CNC(=O)NC 2708a_100102657272_106832991635 [0,1,0,0,0,0|1,0,0]=2 300 B5R0.3 CNC(=O)NC 273464a_100102657272_100102657272 [0,1,0,0,0,0|1,0,0]=2 301 B5R0.3 CNC(=O)NC 512a_106832991638_100102657272 [0,1,0,0,0,0|1,0,0]=2 302 B5R0.3 CNC(C)C#N 2230a_100000737613_200000210301 [0,1,0,0,0,0|2,0,1]=4 303 B5R0.3 CNC(C)C#N 2230a_106832991635_100000184139 [0,1,0,0,0,0|2,0,1]=4 304 B5R0.3 CNC(C)C#N 7a_106832991635_100000703298 [0,1,0,0,0,0|2,0,1]=4 305 B5R0.3 CNC(C)CO 2230a_106832991635_100012180447 [0,1,0,0,0,0|1,0,2]=4 306 B5R0.3 CNC(C)CO 34a_100102657272_100012180447 [0,1,0,0,0,0|1,0,2]=4 307 B5R0.3 CNC(C)CO 7a_106832991635_100012180447 [0,1,0,0,0,0|1,0,2]=4 308 B5R0.3 CN[C@H](C)CO 2230a_100000737577_200000210301 [0,1,0,0,0,0|1,0,2]=4 309 B5R0.3 COC(C)C#N 34a_100011218135_200000210301 [0,1,0,0,0,0|2,0,1]=4 310 B5R0.3 COC(C)CF 34a_100016041109_200000210301 [0,1,0,0,0,0|1,0,2]=4 311 B5R0.3 COC(C)CF 7a_100016041109_200000210301 [0,1,0,0,0,0|1,0,2]=4 312 B5R0.3 COC(C)CN 34a_100000210904_200000210301 [0,1,0,0,0,0|1,0,2]=4 313 B5R0.3 COC(C)CO 34a_100138415774_100012180447 [0,1,0,0,0,0|1,0,2]=4 314 B5R0.3 COC(C)SC 62a_100009879195_200000210301 [0,1,0,0,0,0|1,0,2]=4 315 B5R0.3 COC(C)SC 62a_200000210301_100009879195 [0,1,0,0,0,0|1,0,2]=4 316 B5R0.3 COC(C)S[13CH3] 62a_100009879195_200025704644 [0,1,0,0,0,0|1,0,2]=4 317 B5R0.3 COC(C)S[13CH3] 62a_200025704644_100009879195 [0,1,0,0,0,0|1,0,2]=4 318 B5R0.3 CSC(C)C#N 62a_100000703298_200000210301 [0,1,0,0,0,0|2,0,1]=4 319 B5R0.3 CSC(C)C#N 62a_200000210301_100000703298 [0,1,0,0,0,0|2,0,1]=4 320 B5R0.3 CSC(C)CO 62a_100012180447_200000210301 [0,1,0,0,0,0|1,0,2]=4 321 B5R0.3 CS[C@H](C)CO 62a_100016084084_200000210301 [0,1,0,0,0,0|1,0,2]=4 322 B5R0.3 CS[C@H](C)CO 62a_200000210301_100016084084 [0,1,0,0,0,0|1,0,2]=4 323 B5R0.3 C[C@H](CO)N[13CH3] 2230a_100000737577_200025704644 [0,1,0,0,0,0|1,0,2]=4 324 B5R0.3 C[C@H](CO)S[13CH3] 62a_100016084084_200025704644 [0,1,0,0,0,0|1,0,2]=4 325 B5R0.3 C[C@H](CO)S[13CH3] 62a_200025704644_100016084084 [0,1,0,0,0,0|1,0,2]=4 326 B5R0.3 O=C(CO)CF 1458a_100000210174_100015361967 [0,1,0,0,0,0|1,0,0]=2 327 B5R0.4 CC(C)(C)N[13CH3] 2230a_100000715429_200025704644 [0,1,0,0,0,0|2,0,1]=4 328 B5R0.4 CC(C)(C)O[13CH3] 34a_100015890283_200025704644 [0,1,0,0,0,0|2,0,1]=4 329 B5R0.4 CC(C)(C)O[13CH3] 7a_100015890283_200025704644 [0,1,0,0,0,0|2,0,1]=4 330 B5R0.4 CC(C)(C)S[13CH3] 62a_100000211941_200025704644 [0,1,0,0,0,0|2,0,1]=4 331 B5R0.4 CC(C)(C)S[13CH3] 62a_200025704644_100000211941 [0,1,0,0,0,0|2,0,1]=4 332 B5R0.4 CNC(C)(C)C 2230a_100000715429_200000210301 [0,1,0,0,0,0|2,0,1]=4 333 B5R0.4 CNC(C)(C)C 34a_100102657272_100000210625 [0,1,0,0,0,0|2,0,1]=4 334 B5R0.4 CNS(=O)(=O)C 40a_100102657272_100000738038 [0,1,0,0,0,0|2,0,0]=3 335 B5R0.4 COC(C)(C)C 34a_100015890283_200000210301 [0,1,0,0,0,0|2,0,1]=4 336 B5R0.4 COC(C)(C)C 34a_100138415774_100000210625 [0,1,0,0,0,0|2,0,1]=4 337 B5R0.4 COC(C)(C)C 7a_100015890283_200000210301 [0,1,0,0,0,0|2,0,1]=4 338 B5R0.4 CSC(C)(C)C 62a_100000211941_200000210301 [0,1,0,0,0,0|2,0,1]=4 339 B5R0.4 CSC(C)(C)C 62a_200000210301_100000211941 [0,1,0,0,0,0|2,0,1]=4 340 B5R0.5 C=C(C)C(=O)C 1458a_100000185857_200000210301 [0,1,0,0,0,0|0,0,1]=2 341 B5R0.5 C=C(C)C(=O)[13CH3] 1458a_100000185857_200025704644 [0,1,0,0,0,0|0,0,1]=2 342 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [0,1,0,0,0,0|0,0,0]=1 343 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [0,1,0,0,0,0|0,0,0]=1 344 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [0,1,0,0,0,0|0,0,0]=1 345 B5R0.5 CC(=O)C(O)O 1458a_100000233687_200000210301 [0,1,0,0,0,0|1,0,0]=2 346 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [0,1,0,0,0,0|1,0,0]=2 347 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [0,1,0,0,0,0|1,0,0]=2 348 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [0,1,0,0,0,0|1,0,0]=2 349 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [0,1,0,0,0,0|1,0,0]=2 350 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [0,1,0,0,0,0|0,0,0]=1 351 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [0,1,0,0,0,0|0,0,0]=1 352 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [0,1,0,0,0,0|0,0,0]=1 353 B5R0.5 CC(C)N(C)C 2230a_100102631434_100000210206 [0,1,0,0,0,0|2,0,0]=3 354 B5R0.5 CC(C)N(C)C 269982a_100102631434_100000210206 [0,1,0,0,0,0|2,0,0]=3 355 B5R0.5 CC(C)N(C)C 269982a_200000211004_200000210301 [0,1,0,0,0,0|2,0,0]=3 356 B5R0.5 CC(C)N(C)[13CH3] 269982a_200000211004_200025704644 [0,1,0,0,0,0|2,0,0]=3 357 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [0,1,0,0,0,0|0,0,0]=1 358 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [0,1,0,0,0,0|0,0,0]=1 359 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [0,1,0,0,0,0|0,0,0]=1 360 B5R0.5 [13CH3]C(=O)C(O)O 1458a_100000233687_200025704644 [0,1,0,0,0,0|1,0,0]=2 361 B5R1.2 CN1CCC1 269982a_100000754969_200000210301 [0,0,0,1,0,0|2,0,0]=3 362 B5R1.2 [13CH3]N1CCC1 269982a_100000754969_200025704644 [0,0,0,1,0,0|2,0,0]=3 363 B5R1.3 CNC1CC1 34a_100000212008_200000210301 [0,0,0,1,0,0|2,0,1]=4 364 B5R1.3 CNC1CC1 34a_100102657272_100000211595 [0,0,0,1,0,0|2,0,1]=4 365 B5R1.3 COC1CC1 34a_100138415774_100000211595 [0,0,0,1,0,0|2,0,1]=4 366 B5R1.3 CSC1CC1 62a_200000210301_100000211595 [0,0,0,1,0,0|2,0,1]=4 367 B5R1.3 [13CH3]NC1CC1 34a_100000212008_200025704644 [0,0,0,1,0,0|2,0,1]=4 368 B5R1.3 [13CH3]SC1CC1 62a_200025704644_100000211595 [0,0,0,1,0,0|2,0,1]=4 369 B2R0.1 CNC 2230a_106832991635_200000210301 [2,0,0,0,0,0|1,0,0]=3 370 B2R0.1 CNC 34a_100102657272_200000210301 [2,0,0,0,0,0|1,0,0]=3 371 B2R0.1 CNC 7a_106832991635_200000210301 [2,0,0,0,0,0|1,0,0]=3 372 B2R0.1 CN[13CH3] 2230a_106832991635_200025704644 [2,0,0,0,0,0|1,0,0]=3 373 B2R0.1 CN[13CH3] 34a_100102657272_200025704644 [2,0,0,0,0,0|1,0,0]=3 374 B2R0.1 CN[13CH3] 7a_106832991635_200025704644 [2,0,0,0,0,0|1,0,0]=3 375 B2R0.1 COC 34a_100138415774_200000210301 [2,0,0,0,0,0|1,0,0]=3 376 B2R0.1 CO[13CH3] 34a_100138415774_200025704644 [2,0,0,0,0,0|1,0,0]=3 377 B2R0.1 CSC 62a_200000210301_200000210301 [2,0,0,0,0,0|1,0,0]=3 378 B2R0.1 CS[13CH3] 62a_200000210301_200025704644 [2,0,0,0,0,0|1,0,0]=3 379 B2R0.1 CS[13CH3] 62a_200025704644_200000210301 [2,0,0,0,0,0|1,0,0]=3 380 B2R0.1 [13CH3]S[13CH3] 62a_200025704644_200025704644 [2,0,0,0,0,0|1,0,0]=3 381 B4R0.2 C#CCNC 2230a_106832991635_100000038162 [1,1,0,0,0,0|0,0,2]=4 382 B4R0.2 C#CCNC 34a_100000212058_200000210301 [1,1,0,0,0,0|0,0,2]=4 383 B4R0.2 C#CCNC 34a_100102657272_100000184674 [1,1,0,0,0,0|0,0,2]=4 384 B4R0.2 C#CCNC 7a_106832991635_100000038162 [1,1,0,0,0,0|0,0,2]=4 385 B4R0.2 C#CCN[13CH3] 34a_100000212058_200025704644 [1,1,0,0,0,0|0,0,2]=4 386 B4R0.2 C#CCOC 34a_100000210247_200000210301 [1,1,0,0,0,0|0,0,2]=4 387 B4R0.2 C#CCOC 34a_100138415774_100000184674 [1,1,0,0,0,0|0,0,2]=4 388 B4R0.2 C#CCO[13CH3] 34a_100000210247_200025704644 [1,1,0,0,0,0|0,0,2]=4 389 B4R0.2 C#CCSC 62a_100000038162_200000210301 [1,1,0,0,0,0|0,0,2]=4 390 B4R0.2 C#CCS[13CH3] 62a_100000038162_200025704644 [1,1,0,0,0,0|0,0,2]=4 391 B4R0.2 C=CCNC 2230a_100020586998_200000210301 [1,1,0,0,0,0|0,0,1]=3 392 B4R0.2 C=CCNC 2230a_106832991635_100000210623 [1,1,0,0,0,0|0,0,1]=3 393 B4R0.2 C=CCNC 34a_100102657272_100015514636 [1,1,0,0,0,0|0,0,1]=3 394 B4R0.2 C=CCNC 7a_106832991635_100015514636 [1,1,0,0,0,0|0,0,1]=3 395 B4R0.2 C=CCN[13CH3] 2230a_100020586998_200025704644 [1,1,0,0,0,0|0,0,1]=3 396 B4R0.2 C=CCOC 34a_100138415774_100015514636 [1,1,0,0,0,0|0,0,1]=3 397 B4R0.2 C=CCOC 34a_200000210373_200000210301 [1,1,0,0,0,0|0,0,1]=3 398 B4R0.2 C=CCO[13CH3] 34a_200000210373_200025704644 [1,1,0,0,0,0|0,0,1]=3 399 B4R0.2 C=CCSC 62a_100000210623_200000210301 [1,1,0,0,0,0|0,0,1]=3 400 B4R0.2 C=CCSC 62a_200000210301_100000210623 [1,1,0,0,0,0|0,0,1]=3 401 B4R0.2 C=CCS[13CH3] 62a_100000210623_200025704644 [1,1,0,0,0,0|0,0,1]=3 402 B4R0.2 C=CCS[13CH3] 62a_200025704644_100000210623 [1,1,0,0,0,0|0,0,1]=3 403 B4R0.2 CCCNC 2230a_106832991635_100000210303 [1,1,0,0,0,0|0,0,1]=3 404 B4R0.2 CCCNC 34a_100102657272_100000210303 [1,1,0,0,0,0|0,0,1]=3 405 B4R0.2 CCCNC 7a_106832991635_100000210303 [1,1,0,0,0,0|0,0,1]=3 406 B4R0.2 CCCOC 34a_100000210258_200000210301 [1,1,0,0,0,0|0,0,1]=3 407 B4R0.2 CCCOC 34a_100138415774_100000210303 [1,1,0,0,0,0|0,0,1]=3 408 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [1,1,0,0,0,0|0,0,1]=3 409 B4R0.2 CCCSC 62a_100000210303_200000210301 [1,1,0,0,0,0|0,0,1]=3 410 B4R0.2 CCCSC 62a_200000210301_100000210303 [1,1,0,0,0,0|0,0,1]=3 411 B4R0.2 CCCS[13CH3] 62a_100000210303_200025704644 [1,1,0,0,0,0|0,0,1]=3 412 B4R0.2 CCCS[13CH3] 62a_200025704644_100000210303 [1,1,0,0,0,0|0,0,1]=3 413 B4R0.2 CCNCC 2230a_100015525214_100000210202 [1,1,0,0,0,0|0,0,1]=3 414 B4R0.2 CCOCC 34a_100121572206_100000210202 [1,1,0,0,0,0|0,0,1]=3 415 B4R0.2 CCOCF 34a_100121572206_100015361967 [1,1,0,0,0,0|1,0,0]=3 416 B4R0.2 CCSCC 62a_100000210202_100000210202 [1,1,0,0,0,0|0,0,1]=3 417 B4R0.2 CCSCF 62a_100000210202_100015361967 [1,1,0,0,0,0|1,0,0]=3 418 B4R0.2 CCSCF 62a_100015361967_100000210202 [1,1,0,0,0,0|1,0,0]=3 419 B4R0.2 CNCC#N 2230a_106832991635_100011215382 [1,1,0,0,0,0|1,0,1]=4 420 B4R0.2 CNCC#N 7a_106832991635_100011215382 [1,1,0,0,0,0|1,0,1]=4 421 B4R0.2 CNCC=O 2230a_106832991635_200015260668 [1,1,0,0,0,0|0,0,0]=2 422 B4R0.2 CNCC=O 34a_100102657272_200009817547 [1,1,0,0,0,0|0,0,0]=2 423 B4R0.2 CNCC=O 7a_106832991635_200015260668 [1,1,0,0,0,0|0,0,0]=2 424 B4R0.2 CNCCF 2230a_106832991635_100011217306 [1,1,0,0,0,0|1,0,0]=3 425 B4R0.2 CNCCF 34a_100000724931_200000210301 [1,1,0,0,0,0|1,0,0]=3 426 B4R0.2 CNCCF 34a_100102657272_100011217306 [1,1,0,0,0,0|1,0,0]=3 427 B4R0.2 CNCCF 7a_106832991635_100011217306 [1,1,0,0,0,0|1,0,0]=3 428 B4R0.2 CNCCO 2230a_100016997473_200000210301 [1,1,0,0,0,0|1,0,0]=3 429 B4R0.2 CNCCO 2230a_106832991635_100000211926 [1,1,0,0,0,0|1,0,0]=3 430 B4R0.2 CNCCO 34a_100016990907_200000210301 [1,1,0,0,0,0|1,0,0]=3 431 B4R0.2 CNCCO 34a_100102657272_100000211926 [1,1,0,0,0,0|1,0,0]=3 432 B4R0.2 CNCCO 7a_106832991635_100000211926 [1,1,0,0,0,0|1,0,0]=3 433 B4R0.2 CNCOC 2230a_106832991635_100000766300 [1,1,0,0,0,0|1,0,0]=3 434 B4R0.2 CNCSC 2230a_106832991635_100011218213 [1,1,0,0,0,0|1,0,0]=3 435 B4R0.2 CNCSC 34a_100102657272_100011218213 [1,1,0,0,0,0|1,0,0]=3 436 B4R0.2 COCC=O 34a_100138415774_200009817547 [1,1,0,0,0,0|0,0,0]=2 437 B4R0.2 COCCBr 34a_100000211926_200000210301 [1,1,0,0,0,0|1,0,0]=3 438 B4R0.2 COCCF 34a_100138415774_100011217306 [1,1,0,0,0,0|1,0,0]=3 439 B4R0.2 COCCN 34a_100000210304_200000210301 [1,1,0,0,0,0|1,0,0]=3 440 B4R0.2 COCCO 34a_100138415774_100000211926 [1,1,0,0,0,0|1,0,0]=3 441 B4R0.2 COCSC 34a_100138415774_100011218213 [1,1,0,0,0,0|1,0,0]=3 442 B4R0.2 COCSC 62a_100000766300_200000210301 [1,1,0,0,0,0|1,0,0]=3 443 B4R0.2 COCSC 62a_200000210301_100000766300 [1,1,0,0,0,0|1,0,0]=3 444 B4R0.2 COCS[13CH3] 62a_100000766300_200025704644 [1,1,0,0,0,0|1,0,0]=3 445 B4R0.2 COCS[13CH3] 62a_200025704644_100000766300 [1,1,0,0,0,0|1,0,0]=3 446 B4R0.2 CSCC#N 62a_100011215382_200000210301 [1,1,0,0,0,0|1,0,1]=4 447 B4R0.2 CSCC#N 62a_200000210301_100011215382 [1,1,0,0,0,0|1,0,1]=4 448 B4R0.2 CSCC=O 62a_200000210301_200015260668 [1,1,0,0,0,0|0,0,0]=2 449 B4R0.2 CSCC=O 62a_200015260668_200000210301 [1,1,0,0,0,0|0,0,0]=2 450 B4R0.2 CSCCF 62a_100011217306_200000210301 [1,1,0,0,0,0|1,0,0]=3 451 B4R0.2 CSCCF 62a_200000210301_100011217306 [1,1,0,0,0,0|1,0,0]=3 452 B4R0.2 CSCCO 62a_100000211926_200000210301 [1,1,0,0,0,0|1,0,0]=3 453 B4R0.2 CSCCO 62a_200000210301_100000211926 [1,1,0,0,0,0|1,0,0]=3 454 B4R0.2 CSCSC 62a_100011218213_200000210301 [1,1,0,0,0,0|1,0,0]=3 455 B4R0.2 CSCSC 62a_200000210301_100011218213 [1,1,0,0,0,0|1,0,0]=3 456 B4R0.2 CSCS[13CH3] 62a_100011218213_200025704644 [1,1,0,0,0,0|1,0,0]=3 457 B4R0.2 CSCS[13CH3] 62a_200025704644_100011218213 [1,1,0,0,0,0|1,0,0]=3 458 B4R0.2 FCSCF 62a_100015361967_100015361967 [1,1,0,0,0,0|2,0,0]=4 459 B4R0.2 [13CH3]NCCF 34a_100000724931_200025704644 [1,1,0,0,0,0|1,0,0]=3 460 B4R0.2 [13CH3]NCCO 2230a_100016997473_200025704644 [1,1,0,0,0,0|1,0,0]=3 461 B4R0.2 [13CH3]NCCO 34a_100016990907_200025704644 [1,1,0,0,0,0|1,0,0]=3 462 B4R0.2 [13CH3]OCCBr 34a_100000211926_200025704644 [1,1,0,0,0,0|1,0,0]=3 463 B4R0.2 [13CH3]OCCN 34a_100000210304_200025704644 [1,1,0,0,0,0|1,0,0]=3 464 B4R0.2 [13CH3]SCC#N 62a_100011215382_200025704644 [1,1,0,0,0,0|1,0,1]=4 465 B4R0.2 [13CH3]SCC#N 62a_200025704644_100011215382 [1,1,0,0,0,0|1,0,1]=4 466 B4R0.2 [13CH3]SCC=O 62a_200015260668_200025704644 [1,1,0,0,0,0|0,0,0]=2 467 B4R0.2 [13CH3]SCC=O 62a_200025704644_200015260668 [1,1,0,0,0,0|0,0,0]=2 468 B4R0.2 [13CH3]SCCF 62a_100011217306_200025704644 [1,1,0,0,0,0|1,0,0]=3 469 B4R0.2 [13CH3]SCCF 62a_200025704644_100011217306 [1,1,0,0,0,0|1,0,0]=3 470 B4R0.2 [13CH3]SCCO 62a_100000211926_200025704644 [1,1,0,0,0,0|1,0,0]=3 471 B4R0.2 [13CH3]SCCO 62a_200025704644_100000211926 [1,1,0,0,0,0|1,0,0]=3 472 B6R0.1 C#CC(=O)CC#N 1458a_100000211873_100011214920 [0,2,0,0,0,0|0,0,2]=4 473 B6R0.1 C#CC(=O)CC=C 1458a_100000211873_100000210623 [0,2,0,0,0,0|0,0,2]=4 474 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [0,2,0,0,0,0|0,0,1]=3 475 B6R0.1 C#CC(=O)CCF 1458a_100000211873_100011217306 [0,2,0,0,0,0|0,0,1]=3 476 B6R0.1 C#CC(=O)CCO 1458a_100000211873_100000211926 [0,2,0,0,0,0|0,0,1]=3 477 B6R0.1 C#CC(C)NCC 2230a_100000707721_100000210202 [0,2,0,0,0,0|1,0,1]=4 478 B6R0.1 C#CC(C)NCC 34a_100000707721_100000210202 [0,2,0,0,0,0|1,0,1]=4 479 B6R0.1 C#CC(C)OCC 34a_100121572206_200000035995 [0,2,0,0,0,0|1,0,1]=4 480 B6R0.1 C#CC(C)SCC 62a_200000035995_100000210202 [0,2,0,0,0,0|1,0,1]=4 481 B6R0.1 C#CCC(=O)C#C 1458a_100000211873_100000184674 [0,2,0,0,0,0|0,0,2]=4 482 B6R0.1 C#CCC(=O)C=C 1458a_100000185746_100000184674 [0,2,0,0,0,0|0,0,2]=4 483 B6R0.1 C#CCC(=O)CC 1458a_100000210414_100000184674 [0,2,0,0,0,0|0,0,0]=2 484 B6R0.1 C#CCC(=O)CC 1458a_100011220946_100000210202 [0,2,0,0,0,0|0,0,0]=2 485 B6R0.1 C#CCC(=O)CF 1458a_100011220946_100015361967 [0,2,0,0,0,0|0,0,1]=3 486 B6R0.1 C#CCC(=O)CO 1458a_100000210174_100000184674 [0,2,0,0,0,0|0,0,1]=3 487 B6R0.1 C#CCC(=O)NC 1626a_100102657272_100011220946 [0,2,0,0,0,0|0,0,1]=3 488 B6R0.1 C#CCC(=O)NC 527a_100102657272_100011220946 [0,2,0,0,0,0|0,0,1]=3 489 B6R0.1 C#CCN(C)CC 2230a_100000225621_100000038162 [0,2,0,0,0,0|2,0,0]=4 490 B6R0.1 C#CCN(C)CC 2230a_100000225692_100000210202 [0,2,0,0,0,0|2,0,0]=4 491 B6R0.1 C#CCN(C)CC 2230a_100000744766_200000210301 [0,2,0,0,0,0|2,0,0]=4 492 B6R0.1 C#CCN(C)CC 269982a_100000744766_200000210301 [0,2,0,0,0,0|2,0,0]=4 493 B6R0.1 C#CCN(C)CC 34a_100000225692_100000210202 [0,2,0,0,0,0|2,0,0]=4 494 B6R0.1 C#CCN([13CH3])CC 2230a_100000744766_200025704644 [0,2,0,0,0,0|2,0,0]=4 495 B6R0.1 C#CCN([13CH3])CC 269982a_100000744766_200025704644 [0,2,0,0,0,0|2,0,0]=4 496 B6R0.1 C#C[C@@H](C)OCC 34a_100009815206_100000210202 [0,2,0,0,0,0|1,0,1]=4 497 B6R0.1 C#C[C@@H](C)OCC 7a_100009815206_100000210202 [0,2,0,0,0,0|1,0,1]=4 498 B6R0.1 C=C(C#N)CNC 2230a_106832991635_100000694840 [0,2,0,0,0,0|1,0,1]=4 499 B6R0.1 C=C(C#N)CNC 34a_100102657272_100000694840 [0,2,0,0,0,0|1,0,1]=4 500 B6R0.1 C=C(C#N)COC 34a_100138415774_100000694840 [0,2,0,0,0,0|1,0,1]=4 501 B6R0.1 C=C(C#N)CSC 62a_200000210301_100000694840 [0,2,0,0,0,0|1,0,1]=4 502 B6R0.1 C=C(C#N)CS[13CH3] 62a_200025704644_100000694840 [0,2,0,0,0,0|1,0,1]=4 503 B6R0.1 C=CC(=O)CC#N 1458a_100000185746_100011214920 [0,2,0,0,0,0|0,0,2]=4 504 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [0,2,0,0,0,0|0,0,1]=3 505 B6R0.1 C=CC(=O)CCF 1458a_100000185746_100011217306 [0,2,0,0,0,0|0,0,1]=3 506 B6R0.1 C=CC(=O)CCO 1458a_100000185746_100000211926 [0,2,0,0,0,0|0,0,1]=3 507 B6R0.1 C=CC(=O)NCC 240690a_100015525214_200121576911 [0,2,0,0,0,0|0,0,1]=3 508 B6R0.1 C=CC(=O)NNC 22a_100016993582_100000185746 [0,2,0,0,0,0|0,0,2]=4 509 B6R0.1 C=CC(C)COC 34a_100011215527_200000210301 [0,2,0,0,0,0|1,0,1]=4 510 B6R0.1 C=CC(C)COC 7a_100011215527_200000210301 [0,2,0,0,0,0|1,0,1]=4 511 B6R0.1 C=CC(C)CO[13CH3] 34a_100011215527_200025704644 [0,2,0,0,0,0|1,0,1]=4 512 B6R0.1 C=CC(C)CO[13CH3] 7a_100011215527_200025704644 [0,2,0,0,0,0|1,0,1]=4 513 B6R0.1 C=CC(C)OCC 34a_100000695699_100000210202 [0,2,0,0,0,0|1,0,1]=4 514 B6R0.1 C=CC(C)SCC 62a_100011215867_100000210202 [0,2,0,0,0,0|1,0,1]=4 515 B6R0.1 C=CCC(=O)C=C 1458a_100000185746_100000210623 [0,2,0,0,0,0|0,0,2]=4 516 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [0,2,0,0,0,0|0,0,0]=2 517 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [0,2,0,0,0,0|0,0,0]=2 518 B6R0.1 C=CCC(=O)CF 1458a_100000210193_100015361967 [0,2,0,0,0,0|0,0,1]=3 519 B6R0.1 C=CCC(=O)CO 1458a_100000210174_100000210623 [0,2,0,0,0,0|0,0,1]=3 520 B6R0.1 C=CCC(=O)NC 11a_106832991635_100000210193 [0,2,0,0,0,0|0,0,1]=3 521 B6R0.1 C=CCC(=O)NC 1626a_100102657272_100000210193 [0,2,0,0,0,0|0,0,1]=3 522 B6R0.1 C=CCC(=O)NC 240690a_100102657272_100000210193 [0,2,0,0,0,0|0,0,1]=3 523 B6R0.1 C=CCC(=O)NC 527a_100102657272_100000210193 [0,2,0,0,0,0|0,0,1]=3 524 B6R0.1 C=CCN(C)CC 2230a_100000225617_100000210202 [0,2,0,0,0,0|2,0,0]=4 525 B6R0.1 C=CCN(C)CC 2230a_100000225621_100000210623 [0,2,0,0,0,0|2,0,0]=4 526 B6R0.1 C=CCN(C)CC 269982a_100000225617_100000204670 [0,2,0,0,0,0|2,0,0]=4 527 B6R0.1 C=CCN(C)CC 269982a_100000225621_100000210623 [0,2,0,0,0,0|2,0,0]=4 528 B6R0.1 CC#CC(=O)CC 1458a_100000763181_100000210202 [0,2,0,0,0,0|0,0,0]=2 529 B6R0.1 CC#CC(=O)CF 1458a_100000763181_100015361967 [0,2,0,0,0,0|0,0,1]=3 530 B6R0.1 CC(CCBr)O[13CH3] 34a_100012276601_200025704644 [0,2,0,0,0,0|0,0,2]=4 531 B6R0.1 CC(CCO)S[13CH3] 62a_100009893172_200025704644 [0,2,0,0,0,0|0,1,1]=4 532 B6R0.1 CC(CCO)S[13CH3] 62a_200025704644_100009893172 [0,2,0,0,0,0|0,1,1]=4 533 B6R0.1 CC(CN)CO[13CH3] 34a_100000744482_200025704644 [0,2,0,0,0,0|1,0,1]=4 534 B6R0.1 CC(CO)CN[13CH3] 34a_100000744482_200025704644 [0,2,0,0,0,0|0,0,2]=4 535 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [0,2,0,0,0,0|0,0,0]=2 536 B6R0.1 CC=CC(=O)CF 1458a_100000210699_100015361967 [0,2,0,0,0,0|0,0,1]=3 537 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [0,2,0,0,0,0|0,0,1]=3 538 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [0,2,0,0,0,0|0,0,1]=3 539 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [0,2,0,0,0,0|0,0,1]=3 540 B6R0.1 CCC(=O)C=CBr 1458a_100016273825_100000210202 [0,2,0,0,0,0|0,0,1]=3 541 B6R0.1 CCC(=O)C=CCl 1458a_200016279998_100000210202 [0,2,0,0,0,0|0,0,1]=3 542 B6R0.1 CCC(=O)C=CI 1458a_100016256311_100000210202 [0,2,0,0,0,0|0,0,1]=3 543 B6R0.1 CCC(=O)CC#N 1458a_100000210414_100011214920 [0,2,0,0,0,0|0,0,0]=2 544 B6R0.1 CCC(=O)CC#N 1458a_100051588842_100000210202 [0,2,0,0,0,0|0,0,0]=2 545 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [0,2,0,0,0,0|0,0,0]=2 546 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [0,2,0,0,0,0|0,0,0]=2 547 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [0,2,0,0,0,0|0,0,0]=2 548 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [0,2,0,0,0,0|0,0,0]=2 549 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [0,2,0,0,0,0|0,0,0]=2 550 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [0,2,0,0,0,0|0,0,0]=2 551 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [0,2,0,0,0,0|0,0,0]=2 552 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [0,2,0,0,0,0|0,0,0]=2 553 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [0,2,0,0,0,0|0,0,0]=2 554 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [0,2,0,0,0,0|0,0,0]=2 555 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [0,2,0,0,0,0|0,0,0]=2 556 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [0,2,0,0,0,0|0,0,0]=2 557 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [0,2,0,0,0,0|0,0,0]=2 558 B6R0.1 CCC(C)CNC 2230a_100020588543_200000210301 [0,2,0,0,0,0|1,0,1]=4 559 B6R0.1 CCC(C)CNC 2230a_106832991635_100000748023 [0,2,0,0,0,0|1,0,1]=4 560 B6R0.1 CCC(C)CNC 270004a_106832991635_100000243153 [0,2,0,0,0,0|1,0,1]=4 561 B6R0.1 CCC(C)CNC 34a_100102657272_100000748023 [0,2,0,0,0,0|1,0,1]=4 562 B6R0.1 CCC(C)CNC 7a_106832991635_100000748023 [0,2,0,0,0,0|1,0,1]=4 563 B6R0.1 CCC(C)CN[13CH3] 2230a_100020588543_200025704644 [0,2,0,0,0,0|1,0,1]=4 564 B6R0.1 CCC(C)COC 34a_100138415774_100000748023 [0,2,0,0,0,0|0,0,2]=4 565 B6R0.1 CCC(C)CSC 62a_100000748023_200000210301 [0,2,0,0,0,0|0,1,1]=4 566 B6R0.1 CCC(C)CSC 62a_200000210301_100000748023 [0,2,0,0,0,0|0,1,1]=4 567 B6R0.1 CCC(C)CS[13CH3] 62a_100000748023_200025704644 [0,2,0,0,0,0|0,1,1]=4 568 B6R0.1 CCC(C)CS[13CH3] 62a_200025704644_100000748023 [0,2,0,0,0,0|0,1,1]=4 569 B6R0.1 CCC(C)OCF 7a_100000210228_100015361967 [0,2,0,0,0,0|0,0,2]=4 570 B6R0.1 CCC(C)SCF 62a_100000758301_100015361967 [0,2,0,0,0,0|0,1,1]=4 571 B6R0.1 CCC(C)SCF 62a_100015361967_100000758301 [0,2,0,0,0,0|0,1,1]=4 572 B6R0.1 CCC(O)CNC 2230a_100011218483_200000210301 [0,2,0,0,0,0|0,0,2]=4 573 B6R0.1 CCC(O)CNC 2230a_106832991635_100011218378 [0,2,0,0,0,0|0,0,2]=4 574 B6R0.1 CCC(O)CNC 34a_100102657272_100011218378 [0,2,0,0,0,0|0,0,2]=4 575 B6R0.1 CCC(O)CNC 7a_106832991635_100011218378 [0,2,0,0,0,0|0,0,2]=4 576 B6R0.1 CCC(O)CN[13CH3] 2230a_100011218483_200025704644 [0,2,0,0,0,0|0,0,2]=4 577 B6R0.1 CCC(O)COC 34a_100138415774_100011218378 [0,2,0,0,0,0|0,0,2]=4 578 B6R0.1 CCC(O)CSC 62a_100011218378_200000210301 [0,2,0,0,0,0|0,0,2]=4 579 B6R0.1 CCC(O)CSC 62a_200000210301_100011218378 [0,2,0,0,0,0|0,0,2]=4 580 B6R0.1 CCC(O)CS[13CH3] 62a_100011218378_200025704644 [0,2,0,0,0,0|0,0,2]=4 581 B6R0.1 CCC(O)CS[13CH3] 62a_200025704644_100011218378 [0,2,0,0,0,0|0,0,2]=4 582 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [0,2,0,0,0,0|0,0,0]=2 583 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [0,2,0,0,0,0|0,0,0]=2 584 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [0,2,0,0,0,0|0,0,0]=2 585 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [0,2,0,0,0,0|0,0,0]=2 586 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [0,2,0,0,0,0|0,0,0]=2 587 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [0,2,0,0,0,0|0,0,0]=2 588 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [0,2,0,0,0,0|0,0,0]=2 589 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [0,2,0,0,0,0|0,0,0]=2 590 B6R0.1 CCCC(C)NC 2230a_100000741246_200000210301 [0,2,0,0,0,0|1,0,1]=4 591 B6R0.1 CCCC(C)NC 2230a_106832991635_100000766640 [0,2,0,0,0,0|1,0,1]=4 592 B6R0.1 CCCC(C)NC 270004a_106832991635_100000211909 [0,2,0,0,0,0|1,0,1]=4 593 B6R0.1 CCCC(C)NC 34a_100102657272_100000766640 [0,2,0,0,0,0|1,0,1]=4 594 B6R0.1 CCCC(C)NC 7a_106832991635_100000766640 [0,2,0,0,0,0|1,0,1]=4 595 B6R0.1 CCCC(C)N[13CH3] 2230a_100000741246_200025704644 [0,2,0,0,0,0|1,0,1]=4 596 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [0,2,0,0,0,0|0,0,2]=4 597 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [0,2,0,0,0,0|0,0,2]=4 598 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [0,2,0,0,0,0|0,0,2]=4 599 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [0,2,0,0,0,0|0,0,2]=4 600 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [0,2,0,0,0,0|0,0,2]=4 601 B6R0.1 CCCC(C)SC 62a_100000766640_200000210301 [0,2,0,0,0,0|0,1,1]=4 602 B6R0.1 CCCC(C)SC 62a_200000210301_100000766640 [0,2,0,0,0,0|0,1,1]=4 603 B6R0.1 CCCC(C)S[13CH3] 62a_100000766640_200025704644 [0,2,0,0,0,0|0,1,1]=4 604 B6R0.1 CCCC(C)S[13CH3] 62a_200025704644_100000766640 [0,2,0,0,0,0|0,1,1]=4 605 B6R0.1 CCCN(C)CC 2230a_100000225621_100000210303 [0,2,0,0,0,0|2,0,0]=4 606 B6R0.1 CCCN(C)CC 2230a_100000226822_200000210301 [0,2,0,0,0,0|2,0,0]=4 607 B6R0.1 CCCN(C)CC 2230a_100000747261_100000210202 [0,2,0,0,0,0|2,0,0]=4 608 B6R0.1 CCCN(C)CC 269982a_100000225621_100000210303 [0,2,0,0,0,0|2,0,0]=4 609 B6R0.1 CCCN(C)CC 269982a_100000226822_200000210301 [0,2,0,0,0,0|2,0,0]=4 610 B6R0.1 CCCN(C)CC 269982a_100000747261_100000204670 [0,2,0,0,0,0|2,0,0]=4 611 B6R0.1 CCCN(C)CF 269982a_100000747261_100015361967 [0,2,0,0,0,0|2,0,0]=4 612 B6R0.1 CCCN([13CH3])CC 2230a_100000226822_200025704644 [0,2,0,0,0,0|2,0,0]=4 613 B6R0.1 CCCN([13CH3])CC 269982a_100000226822_200025704644 [0,2,0,0,0,0|2,0,0]=4 614 B6R0.1 CCN(C)CC#N 2230a_100000225621_100011215382 [0,2,0,0,0,0|2,0,0]=4 615 B6R0.1 CCN(C)CC#N 2230a_100000748184_100000210202 [0,2,0,0,0,0|2,0,0]=4 616 B6R0.1 CCN(C)CC#N 269982a_100000225621_100011214920 [0,2,0,0,0,0|2,0,0]=4 617 B6R0.1 CCN(C)CC=O 2230a_100000225621_200015260668 [0,2,0,0,0,0|1,0,0]=3 618 B6R0.1 CCN(C)CC=O 269982a_100000225621_200015260668 [0,2,0,0,0,0|1,0,0]=3 619 B6R0.1 CCN(C)CCF 2230a_100000225621_100011217306 [0,2,0,0,0,0|2,0,0]=4 620 B6R0.1 CCN(C)CCF 269982a_100000225621_100011217306 [0,2,0,0,0,0|2,0,0]=4 621 B6R0.1 CCN(C)CCO 2230a_100000210263_100000210202 [0,2,0,0,0,0|1,0,1]=4 622 B6R0.1 CCN(C)CCO 2230a_100000210973_200000210301 [0,2,0,0,0,0|1,0,1]=4 623 B6R0.1 CCN(C)CCO 2230a_100000225621_100000211926 [0,2,0,0,0,0|1,0,1]=4 624 B6R0.1 CCN(C)CCO 269982a_100000210263_100000204670 [0,2,0,0,0,0|1,0,1]=4 625 B6R0.1 CCN(C)CCO 269982a_100000210973_200000210301 [0,2,0,0,0,0|1,0,1]=4 626 B6R0.1 CCN(C)CCO 269982a_100000225621_100000211926 [0,2,0,0,0,0|1,0,1]=4 627 B6R0.1 CCN(C)COC 2230a_100000225621_100000766300 [0,2,0,0,0,0|1,0,1]=4 628 B6R0.1 CCN(C)COC 269982a_100000225621_100000766300 [0,2,0,0,0,0|1,0,1]=4 629 B6R0.1 CCN(C)CSC 2230a_100000225621_100011218213 [0,2,0,0,0,0|1,1,0]=4 630 B6R0.1 CCN(C)CSC 269982a_100000225621_100011218213 [0,2,0,0,0,0|1,1,0]=4 631 B6R0.1 CCN([13CH3])CCO 2230a_100000210973_200025704644 [0,2,0,0,0,0|1,0,1]=4 632 B6R0.1 CCN([13CH3])CCO 269982a_100000210973_200025704644 [0,2,0,0,0,0|1,0,1]=4 633 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [0,2,0,0,0,0|0,0,0]=2 634 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [0,2,0,0,0,0|0,0,0]=2 635 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [0,2,0,0,0,0|0,0,0]=2 636 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [0,2,0,0,0,0|0,0,0]=2 637 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [0,2,0,0,0,0|0,0,0]=2 638 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [0,2,0,0,0,0|0,0,0]=2 639 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [0,2,0,0,0,0|0,0,0]=2 640 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [0,2,0,0,0,0|0,0,0]=2 641 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [0,2,0,0,0,0|0,0,0]=2 642 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [0,2,0,0,0,0|0,0,0]=2 643 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [0,2,0,0,0,0|0,0,0]=2 644 B6R0.1 CCNC(C)C#N 2230a_100000737613_100000210202 [0,2,0,0,0,0|1,0,1]=4 645 B6R0.1 CCNC(C)C#N 2230a_100015525214_100000184139 [0,2,0,0,0,0|1,0,1]=4 646 B6R0.1 CCNC(C)CC 2230a_100000209981_100000210202 [0,2,0,0,0,0|1,0,1]=4 647 B6R0.1 CCNC(C)CC 2230a_100015525214_100000758301 [0,2,0,0,0,0|1,0,1]=4 648 B6R0.1 CCNC(C)CO 2230a_100015525214_100012180447 [0,2,0,0,0,0|0,0,2]=4 649 B6R0.1 CCN[C@H](C)CO 2230a_100000737577_100000210202 [0,2,0,0,0,0|0,0,2]=4 650 B6R0.1 CCOC(C)C#N 34a_100011218135_100000210202 [0,2,0,0,0,0|1,0,1]=4 651 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [0,2,0,0,0,0|0,0,2]=4 652 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [0,2,0,0,0,0|0,0,2]=4 653 B6R0.1 CCOC(C)CF 34a_100016041109_100000210202 [0,2,0,0,0,0|1,0,1]=4 654 B6R0.1 CCOC(C)CF 7a_100016041109_100000210202 [0,2,0,0,0,0|1,0,1]=4 655 B6R0.1 CCOC(C)CN 34a_100000210904_100000210202 [0,2,0,0,0,0|1,0,1]=4 656 B6R0.1 CCOC(C)CO 34a_100121572206_100012180447 [0,2,0,0,0,0|0,0,2]=4 657 B6R0.1 CCSC(C)C#N 62a_100000210202_100000703298 [0,2,0,0,0,0|1,0,1]=4 658 B6R0.1 CCSC(C)C#N 62a_100000703298_100000210202 [0,2,0,0,0,0|1,0,1]=4 659 B6R0.1 CCSC(C)CC 62a_100000210202_100000758301 [0,2,0,0,0,0|0,1,1]=4 660 B6R0.1 CCSC(C)CC 62a_100000758301_100000210202 [0,2,0,0,0,0|0,1,1]=4 661 B6R0.1 CCSC(C)CO 62a_100012180447_100000210202 [0,2,0,0,0,0|0,0,2]=4 662 B6R0.1 CCSC(C)OC 62a_100000210202_100009879195 [0,2,0,0,0,0|0,0,2]=4 663 B6R0.1 CCSC(C)OC 62a_100009879195_100000210202 [0,2,0,0,0,0|0,0,2]=4 664 B6R0.1 CCS[C@H](C)CO 62a_100000210202_100016084084 [0,2,0,0,0,0|0,0,2]=4 665 B6R0.1 CCS[C@H](C)CO 62a_100016084084_100000210202 [0,2,0,0,0,0|0,0,2]=4 666 B6R0.1 CC[C@H](C)CNC 2230a_106832991635_100009816398 [0,2,0,0,0,0|1,0,1]=4 667 B6R0.1 CC[C@H](C)CNC 34a_100102657272_100009816398 [0,2,0,0,0,0|1,0,1]=4 668 B6R0.1 CC[C@H](C)CNC 7a_106832991635_100009816398 [0,2,0,0,0,0|1,0,1]=4 669 B6R0.1 CC[C@H](C)COC 34a_100138415774_100009816398 [0,2,0,0,0,0|0,0,2]=4 670 B6R0.1 CC[C@H](C)COC 7a_100009816381_200000210301 [0,2,0,0,0,0|0,0,2]=4 671 B6R0.1 CC[C@H](C)CO[13CH3] 7a_100009816381_200025704644 [0,2,0,0,0,0|0,0,2]=4 672 B6R0.1 CC[C@H](C)CSC 62a_100009816398_200000210301 [0,2,0,0,0,0|0,1,1]=4 673 B6R0.1 CC[C@H](C)CSC 62a_200000210301_100009816398 [0,2,0,0,0,0|0,1,1]=4 674 B6R0.1 CC[C@H](C)CS[13CH3] 62a_100009816398_200025704644 [0,2,0,0,0,0|0,1,1]=4 675 B6R0.1 CC[C@H](C)CS[13CH3] 62a_200025704644_100009816398 [0,2,0,0,0,0|0,1,1]=4 676 B6R0.1 CN(CF)CCO 269982a_100000210263_100015361967 [0,2,0,0,0,0|2,0,0]=4 677 B6R0.1 CNC(=O)C=CBr 1626a_100102657272_100016273825 [0,2,0,0,0,0|0,0,2]=4 678 B6R0.1 CNC(=O)C=CBr 240690a_100102657272_100016273825 [0,2,0,0,0,0|0,0,2]=4 679 B6R0.1 CNC(=O)C=CCl 11a_106832991635_200016279998 [0,2,0,0,0,0|0,0,2]=4 680 B6R0.1 CNC(=O)C=CCl 1626a_100102657272_200016279998 [0,2,0,0,0,0|0,0,2]=4 681 B6R0.1 CNC(=O)C=CCl 240690a_100102657272_200016279998 [0,2,0,0,0,0|0,0,2]=4 682 B6R0.1 CNC(=O)C=CI 1626a_100102657272_100016256311 [0,2,0,0,0,0|0,0,2]=4 683 B6R0.1 CNC(=O)CC#N 1626a_100102657272_100051588842 [0,2,0,0,0,0|0,0,1]=3 684 B6R0.1 CNC(=O)CC#N 240690a_100102657272_100051588842 [0,2,0,0,0,0|0,0,1]=3 685 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [0,2,0,0,0,0|0,0,0]=2 686 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [0,2,0,0,0,0|0,0,0]=2 687 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [0,2,0,0,0,0|0,0,0]=2 688 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [0,2,0,0,0,0|0,0,0]=2 689 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [0,2,0,0,0,0|0,0,0]=2 690 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [0,2,0,0,0,0|0,0,0]=2 691 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [0,2,0,0,0,0|0,0,0]=2 692 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [0,2,0,0,0,0|0,0,0]=2 693 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [0,2,0,0,0,0|0,0,0]=2 694 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [0,2,0,0,0,0|0,0,0]=2 695 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [0,2,0,0,0,0|0,0,0]=2 696 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [0,2,0,0,0,0|0,0,0]=2 697 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [0,2,0,0,0,0|0,0,0]=2 698 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [0,2,0,0,0,0|0,0,0]=2 699 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [0,2,0,0,0,0|0,0,0]=2 700 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [0,2,0,0,0,0|0,0,0]=2 701 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [0,2,0,0,0,0|0,0,0]=2 702 B6R0.1 CNC(C)CCO 2230a_106832991635_100009893172 [0,2,0,0,0,0|1,0,1]=4 703 B6R0.1 CNC(C)CCO 34a_100102657272_100009893172 [0,2,0,0,0,0|1,0,1]=4 704 B6R0.1 CNC(C)CCO 7a_106832991635_100009893172 [0,2,0,0,0,0|1,0,1]=4 705 B6R0.1 CNC(C)COC 2230a_106832991635_100000765312 [0,2,0,0,0,0|1,0,1]=4 706 B6R0.1 CNC(C)COC 270004a_106832991635_100000749346 [0,2,0,0,0,0|1,0,1]=4 707 B6R0.1 CNC(C)COC 34a_100102657272_100000765312 [0,2,0,0,0,0|1,0,1]=4 708 B6R0.1 CNC(C)COC 7a_106832991635_100000765312 [0,2,0,0,0,0|1,0,1]=4 709 B6R0.1 CNC(C)CSC 270004a_106832991635_100011216314 [0,2,0,0,0,0|1,0,1]=4 710 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [0,2,0,0,0,0|0,0,0]=2 711 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [0,2,0,0,0,0|0,0,0]=2 712 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [0,2,0,0,0,0|0,0,0]=2 713 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [0,2,0,0,0,0|0,0,0]=2 714 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [0,2,0,0,0,0|0,0,0]=2 715 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [0,2,0,0,0,0|0,0,0]=2 716 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [0,2,0,0,0,0|0,0,0]=2 717 B6R0.1 CNCC(C)CO 34a_100000744482_200000210301 [0,2,0,0,0,0|0,0,2]=4 718 B6R0.1 CNCC(O)CO 2230a_106832991635_100011219619 [0,2,0,0,0,0|0,0,2]=4 719 B6R0.1 CNCC(O)CO 34a_100102657272_100011219619 [0,2,0,0,0,0|0,0,2]=4 720 B6R0.1 CNCC(O)CO 7a_106832991635_100011219619 [0,2,0,0,0,0|0,0,2]=4 721 B6R0.1 CNC[C@@H](C)CO 2230a_106832991635_100000059175 [0,2,0,0,0,0|0,0,2]=4 722 B6R0.1 CNC[C@@H](C)CO 34a_100102657272_100000059175 [0,2,0,0,0,0|0,0,2]=4 723 B6R0.1 CNC[C@@H](C)CO 7a_106832991635_100000059175 [0,2,0,0,0,0|0,0,2]=4 724 B6R0.1 CNC[C@@H](C)OC 2230a_100020591295_200000210301 [0,2,0,0,0,0|0,0,2]=4 725 B6R0.1 CNC[C@@H](F)CO 34a_100015665980_200000210301 [0,2,0,0,0,0|1,0,1]=4 726 B6R0.1 CNC[C@@H](O)CF 2230a_106832991635_100015614560 [0,2,0,0,0,0|0,0,2]=4 727 B6R0.1 CNC[C@@H](O)CF 34a_100102657272_100015614560 [0,2,0,0,0,0|0,0,2]=4 728 B6R0.1 CNC[C@@H](O)CF 7a_106832991635_100015614560 [0,2,0,0,0,0|0,0,2]=4 729 B6R0.1 CNC[C@@H](O)CO 2230a_106832991635_100009815848 [0,2,0,0,0,0|0,0,2]=4 730 B6R0.1 CNC[C@@H](O)CO 34a_100102657272_100009815848 [0,2,0,0,0,0|0,0,2]=4 731 B6R0.1 CNC[C@@H](O)CO 7a_106832991635_100009815848 [0,2,0,0,0,0|0,0,2]=4 732 B6R0.1 CNC[C@H](O)CO 2230a_100020644852_200000210301 [0,2,0,0,0,0|0,0,2]=4 733 B6R0.1 CNNC(=O)CO 22a_100016993582_100000210174 [0,2,0,0,0,0|1,0,0]=3 734 B6R0.1 CNNC(=O)NC 273464a_100102657272_100016993582 [0,2,0,0,0,0|1,0,0]=3 735 B6R0.1 CNNC(=O)NC 512a_100016993582_100102657272 [0,2,0,0,0,0|1,0,0]=3 736 B6R0.1 CNNC(=O)NC 512a_106832991638_100016993582 [0,2,0,0,0,0|1,0,0]=3 737 B6R0.1 CN[C@H](C)CCO 2230a_100000706166_200000210301 [0,2,0,0,0,0|1,0,1]=4 738 B6R0.1 CN[C@H](C)CCO 34a_100000706166_200000210301 [0,2,0,0,0,0|1,0,1]=4 739 B6R0.1 CN[C@H](C)COC 2230a_100000764878_200000210301 [0,2,0,0,0,0|1,0,1]=4 740 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [0,2,0,0,0,0|0,0,0]=2 741 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [0,2,0,0,0,0|0,0,0]=2 742 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [0,2,0,0,0,0|0,0,0]=2 743 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [0,2,0,0,0,0|0,0,0]=2 744 B6R0.1 COC(C)CCBr 34a_100012276601_200000210301 [0,2,0,0,0,0|0,0,2]=4 745 B6R0.1 COC(C)CCO 34a_100138415774_100009893172 [0,2,0,0,0,0|0,0,2]=4 746 B6R0.1 COC(C)CO[13CH3] 34a_100000690652_200025704644 [0,2,0,0,0,0|0,0,2]=4 747 B6R0.1 COCC(=O)CF 1458a_100000210968_100015361967 [0,2,0,0,0,0|0,0,0]=2 748 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [0,2,0,0,0,0|0,0,0]=2 749 B6R0.1 COCC(C)CN 34a_100000744482_200000210301 [0,2,0,0,0,0|1,0,1]=4 750 B6R0.1 COCC(C)OC 34a_100000690652_200000210301 [0,2,0,0,0,0|0,0,2]=4 751 B6R0.1 COCC(C)OC 34a_100138415774_100000765312 [0,2,0,0,0,0|0,0,2]=4 752 B6R0.1 COCC(C)SC 62a_100000765312_200000210301 [0,2,0,0,0,0|0,1,1]=4 753 B6R0.1 COCC(C)SC 62a_200000210301_100000765312 [0,2,0,0,0,0|0,1,1]=4 754 B6R0.1 COCC(C)S[13CH3] 62a_100000765312_200025704644 [0,2,0,0,0,0|0,1,1]=4 755 B6R0.1 COCC(C)S[13CH3] 62a_200025704644_100000765312 [0,2,0,0,0,0|0,1,1]=4 756 B6R0.1 COCC(Cl)CCl 34a_100000033668_200000210301 [0,2,0,0,0,0|1,0,1]=4 757 B6R0.1 COCC(O)CO 34a_100138415774_100011219619 [0,2,0,0,0,0|0,0,2]=4 758 B6R0.1 COC[C@@H](C)CO 34a_100138415774_100000059175 [0,2,0,0,0,0|0,0,2]=4 759 B6R0.1 COC[C@@H](C)N[13CH3] 2230a_100000764878_200025704644 [0,2,0,0,0,0|1,0,1]=4 760 B6R0.1 COC[C@@H](C)OC 34a_100011934205_200000210301 [0,2,0,0,0,0|0,0,2]=4 761 B6R0.1 COC[C@@H](C)O[13CH3] 34a_100011934205_200025704644 [0,2,0,0,0,0|0,0,2]=4 762 B6R0.1 COC[C@@H](O)CF 34a_100138415774_100015614560 [0,2,0,0,0,0|0,0,2]=4 763 B6R0.1 COC[C@@H](O)CO 34a_100138415774_100009815848 [0,2,0,0,0,0|0,0,2]=4 764 B6R0.1 COC[C@H](F)CN 34a_100015665980_200000210301 [0,2,0,0,0,0|1,0,1]=4 765 B6R0.1 CO[C@H](C)CN[13CH3] 2230a_100020591295_200025704644 [0,2,0,0,0,0|0,0,2]=4 766 B6R0.1 CSC(C)CCO 62a_100009893172_200000210301 [0,2,0,0,0,0|0,1,1]=4 767 B6R0.1 CSC(C)CCO 62a_200000210301_100009893172 [0,2,0,0,0,0|0,1,1]=4 768 B6R0.1 CSCC(=O)CF 1458a_100000184570_100015361967 [0,2,0,0,0,0|0,0,0]=2 769 B6R0.1 CSCC(O)CO 62a_100011219619_200000210301 [0,2,0,0,0,0|0,0,2]=4 770 B6R0.1 CSCC(O)CO 62a_200000210301_100011219619 [0,2,0,0,0,0|0,0,2]=4 771 B6R0.1 CSC[C@@H](C)CO 62a_100000059175_200000210301 [0,2,0,0,0,0|0,0,2]=4 772 B6R0.1 CSC[C@@H](C)CO 62a_200000210301_100000059175 [0,2,0,0,0,0|0,0,2]=4 773 B6R0.1 CSC[C@@H](O)CF 62a_100015614560_200000210301 [0,2,0,0,0,0|0,0,2]=4 774 B6R0.1 CSC[C@@H](O)CF 62a_200000210301_100015614560 [0,2,0,0,0,0|0,0,2]=4 775 B6R0.1 CSC[C@@H](O)CO 62a_100009815848_200000210301 [0,2,0,0,0,0|0,0,2]=4 776 B6R0.1 CSC[C@@H](O)CO 62a_200000210301_100009815848 [0,2,0,0,0,0|0,0,2]=4 777 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_100000059175_200025704644 [0,2,0,0,0,0|0,0,2]=4 778 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_200025704644_100000059175 [0,2,0,0,0,0|0,0,2]=4 779 B6R0.1 C[C@H](CCO)N[13CH3] 2230a_100000706166_200025704644 [0,2,0,0,0,0|1,0,1]=4 780 B6R0.1 C[C@H](CCO)N[13CH3] 34a_100000706166_200025704644 [0,2,0,0,0,0|1,0,1]=4 781 B6R0.1 N#CCC(=O)CF 1458a_100051588842_100015361967 [0,2,0,0,0,0|0,0,1]=3 782 B6R0.1 N#CCC(=O)CO 1458a_100000210174_100011214920 [0,2,0,0,0,0|0,0,1]=3 783 B6R0.1 O=C(C=CBr)CF 1458a_100016273825_100015361967 [0,2,0,0,0,0|0,0,2]=4 784 B6R0.1 O=C(C=CCl)CF 1458a_200016279998_100015361967 [0,2,0,0,0,0|0,0,2]=4 785 B6R0.1 O=C(C=CI)CF 1458a_100016256311_100015361967 [0,2,0,0,0,0|0,0,2]=4 786 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [0,2,0,0,0,0|0,0,0]=2 787 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [0,2,0,0,0,0|0,0,0]=2 788 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [0,2,0,0,0,0|0,0,0]=2 789 B6R0.1 [13CH3]NC[C@@H](F)CO 34a_100015665980_200025704644 [0,2,0,0,0,0|1,0,1]=4 790 B6R0.1 [13CH3]NC[C@H](O)CO 2230a_100020644852_200025704644 [0,2,0,0,0,0|0,0,2]=4 791 B6R0.1 [13CH3]OCC(Cl)CCl 34a_100000033668_200025704644 [0,2,0,0,0,0|1,0,1]=4 792 B6R0.1 [13CH3]OC[C@H](F)CN 34a_100015665980_200025704644 [0,2,0,0,0,0|1,0,1]=4 793 B6R0.1 [13CH3]SCC(O)CO 62a_100011219619_200025704644 [0,2,0,0,0,0|0,0,2]=4 794 B6R0.1 [13CH3]SCC(O)CO 62a_200025704644_100011219619 [0,2,0,0,0,0|0,0,2]=4 795 B6R0.1 [13CH3]SC[C@@H](O)CF 62a_100015614560_200025704644 [0,2,0,0,0,0|0,0,2]=4 796 B6R0.1 [13CH3]SC[C@@H](O)CF 62a_200025704644_100015614560 [0,2,0,0,0,0|0,0,2]=4 797 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_100009815848_200025704644 [0,2,0,0,0,0|0,0,2]=4 798 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_200025704644_100009815848 [0,2,0,0,0,0|0,0,2]=4 799 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [0,2,0,0,0,0|0,0,0]=2 800 B6R0.2 C=C(C)CN(C)C 2230a_100000225649_200000210301 [0,2,0,0,0,0|1,0,0]=3 801 B6R0.2 C=C(C)CN(C)C 2230a_100102631434_100000748629 [0,2,0,0,0,0|1,0,0]=3 802 B6R0.2 C=C(C)CN(C)C 269982a_100000225649_200000210301 [0,2,0,0,0,0|1,0,0]=3 803 B6R0.2 C=C(C)CN(C)C 269982a_100102631434_100000748629 [0,2,0,0,0,0|1,0,0]=3 804 B6R0.2 C=C(C)CN(C)[13CH3] 2230a_100000225649_200025704644 [0,2,0,0,0,0|1,0,0]=3 805 B6R0.2 C=C(C)CN(C)[13CH3] 269982a_100000225649_200025704644 [0,2,0,0,0,0|1,0,0]=3 806 B6R0.2 C=C(F)CC(=O)C 1458a_100000070787_100009893438 [0,2,0,0,0,0|0,0,1]=3 807 B6R0.2 C=C(F)CN(C)C 2230a_100102631434_100009893438 [0,2,0,0,0,0|1,0,1]=4 808 B6R0.2 C=C(F)CN(C)C 269982a_100102631434_100009893438 [0,2,0,0,0,0|1,0,1]=4 809 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [0,2,0,0,0,0|0,0,1]=3 810 B6R0.2 CC(=CC(=O)[13CH3])Cl 1458a_200042562850_200025704644 [0,2,0,0,0,0|0,0,1]=3 811 B6R0.2 CC(=CC(=O)[13CH3])I 1458a_100025716642_200025704644 [0,2,0,0,0,0|0,0,1]=3 812 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [0,2,0,0,0,0|0,0,1]=3 813 B6R0.2 CC(=O)C=C(C)Cl 1458a_200042562850_200000210301 [0,2,0,0,0,0|0,0,1]=3 814 B6R0.2 CC(=O)C=C(C)I 1458a_100025716642_200000210301 [0,2,0,0,0,0|0,0,1]=3 815 B6R0.2 CC(=O)C=C(Cl)Cl 1458a_100000137448_200000210301 [0,2,0,0,0,0|0,0,2]=4 816 B6R0.2 CC(=O)CC(=O)N 1458a_100000070787_100000187820 [0,2,0,0,0,0|0,0,1]=3 817 B6R0.2 CC(=O)CC(=O)N 1458a_100134613110_200000210301 [0,2,0,0,0,0|0,0,1]=3 818 B6R0.2 CC(=O)CC(=O)[O-] 1458a_100000070787_100020667443 [0,2,0,0,0,0|0,0,1]=3 819 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [0,2,0,0,0,0|0,0,0]=2 820 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [0,2,0,0,0,0|0,0,0]=2 821 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [0,2,0,0,0,0|0,0,0]=2 822 B6R0.2 CC(=O)CC(F)F 1458a_100000070787_100011934356 [0,2,0,0,0,0|0,0,0]=2 823 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [0,2,0,0,0,0|0,0,0]=2 824 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [0,2,0,0,0,0|0,0,0]=2 825 B6R0.2 CC(=O)C[N+](=O)[O-] 1458a_100000070787_100000761209 [0,2,0,0,0,0|1,0,0]=3 826 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [0,2,0,0,0,0|0,0,0]=2 827 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [0,2,0,0,0,0|0,0,0]=2 828 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [0,2,0,0,0,0|0,0,0]=2 829 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [0,2,0,0,0,0|0,0,0]=2 830 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [0,2,0,0,0,0|0,0,0]=2 831 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [0,2,0,0,0,0|0,0,0]=2 832 B6R0.2 CC(C)CN(C)C 2230a_100000747067_200000210301 [0,2,0,0,0,0|1,0,1]=4 833 B6R0.2 CC(C)CN(C)C 2230a_100102631434_100000210760 [0,2,0,0,0,0|1,0,1]=4 834 B6R0.2 CC(C)CN(C)C 269982a_100000747067_200000210301 [0,2,0,0,0,0|1,0,1]=4 835 B6R0.2 CC(C)CN(C)C 269982a_100102631434_100000210624 [0,2,0,0,0,0|1,0,1]=4 836 B6R0.2 CC(C)CN(C)C 270004a_100102631434_100000210432 [0,2,0,0,0,0|1,0,1]=4 837 B6R0.2 CC(C)CN(C)[13CH3] 2230a_100000747067_200025704644 [0,2,0,0,0,0|1,0,1]=4 838 B6R0.2 CC(C)CN(C)[13CH3] 269982a_100000747067_200025704644 [0,2,0,0,0,0|1,0,1]=4 839 B6R0.2 CC(C)NC(C)C 2230a_100138425928_100000210206 [0,2,0,0,0,0|1,0,1]=4 840 B6R0.2 CC(C)NC(C)C 34a_100138425928_100000210206 [0,2,0,0,0,0|1,0,1]=4 841 B6R0.2 CC(C)OC(C)C 34a_100000212225_100000210206 [0,2,0,0,0,0|1,0,1]=4 842 B6R0.2 CC(C)SC(C)C 62a_100000210206_100000210206 [0,2,0,0,0,0|1,0,1]=4 843 B6R0.2 CC(O)CN(C)C 2230a_100000227577_200000210301 [0,2,0,0,0,0|0,0,2]=4 844 B6R0.2 CC(O)CN(C)C 2230a_100102631434_100011218427 [0,2,0,0,0,0|0,0,2]=4 845 B6R0.2 CC(O)CN(C)C 269982a_100000227577_200000210301 [0,2,0,0,0,0|0,0,2]=4 846 B6R0.2 CC(O)CN(C)C 269982a_100102631434_100011218427 [0,2,0,0,0,0|0,0,2]=4 847 B6R0.2 CC(O)CN(C)[13CH3] 2230a_100000227577_200025704644 [0,2,0,0,0,0|0,0,2]=4 848 B6R0.2 CC(O)CN(C)[13CH3] 269982a_100000227577_200025704644 [0,2,0,0,0,0|0,0,2]=4 849 B6R0.2 CN(C)CC(=O)N 2230a_100000739694_200000210301 [0,2,0,0,0,0|1,0,0]=3 850 B6R0.2 CN(C)CC(=O)N 2230a_100102631434_100000747473 [0,2,0,0,0,0|1,0,0]=3 851 B6R0.2 CN(C)CC(=O)N 269982a_100102631434_100000187820 [0,2,0,0,0,0|1,0,0]=3 852 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [0,2,0,0,0,0|1,0,0]=3 853 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [0,2,0,0,0,0|0,0,0]=2 854 B6R0.2 CN(C)CC(=O)[O-] 269982a_100102631434_100020667443 [0,2,0,0,0,0|1,0,0]=3 855 B6R0.2 CN(C)CC(F)F 2230a_100102631434_100011934356 [0,2,0,0,0,0|2,0,0]=4 856 B6R0.2 CN(C)CC(F)F 269982a_100102631434_100011934356 [0,2,0,0,0,0|2,0,0]=4 857 B6R0.2 CN(C)C[N+](=O)[O-] 269982a_100102631434_100000761209 [0,2,0,0,0,0|2,0,0]=4 858 B6R0.2 CN([13CH3])CC(=O)N 2230a_100000739694_200025704644 [0,2,0,0,0,0|1,0,0]=3 859 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [0,2,0,0,0,0|1,0,0]=3 860 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [0,2,0,0,0,0|0,0,0]=2 861 B6R0.2 C[C@@H](O)CN(C)C 2230a_100102631434_100009817552 [0,2,0,0,0,0|0,0,2]=4 862 B6R0.2 C[C@@H](O)CN(C)C 269982a_100102631434_100009817552 [0,2,0,0,0,0|0,0,2]=4 863 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [0,2,0,0,0,0|0,0,0]=2 864 B6R0.2 [13CH3]C(=O)C=C(Cl)Cl 1458a_100000137448_200025704644 [0,2,0,0,0,0|0,0,2]=4 865 B6R0.2 [13CH3]C(=O)CC(=O)N 1458a_100134613110_200025704644 [0,2,0,0,0,0|0,0,1]=3 866 B6R0.3 C#CC(=O)C(C)C 1458a_100000211873_100000210206 [0,2,0,0,0,0|0,0,1]=3 867 B6R0.3 C#CC(C)C(=O)C 1458a_100000070787_200000035995 [0,2,0,0,0,0|0,0,0]=2 868 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [0,2,0,0,0,0|0,0,1]=3 869 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [0,2,0,0,0,0|0,0,1]=3 870 B6R0.3 C=C(Br)C(=O)NC 11a_106832991635_100009813364 [0,2,0,0,0,0|0,0,2]=4 871 B6R0.3 C=C(Br)C(=O)NC 1626a_100102657272_100009813364 [0,2,0,0,0,0|0,0,2]=4 872 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [0,2,0,0,0,0|0,0,0]=2 873 B6R0.3 C=C(C)C(=O)CF 1458a_100000185857_100015361967 [0,2,0,0,0,0|0,0,1]=3 874 B6R0.3 C=C(C)C(=O)NC 11a_106832991635_100000185857 [0,2,0,0,0,0|0,0,1]=3 875 B6R0.3 C=C(C)C(=O)NC 1626a_100102657272_100000185857 [0,2,0,0,0,0|0,0,1]=3 876 B6R0.3 C=C(C)C(C)NC 269862a_106832991636_100011216138 [0,2,0,0,0,0|1,0,0]=3 877 B6R0.3 C=C(Cl)C(=O)NC 11a_106832991635_100000039160 [0,2,0,0,0,0|0,0,2]=4 878 B6R0.3 C=C(Cl)C(=O)NC 1626a_100102657272_100000039160 [0,2,0,0,0,0|0,0,2]=4 879 B6R0.3 C=C(F)C(=O)NC 11a_106832991635_100000036797 [0,2,0,0,0,0|0,0,2]=4 880 B6R0.3 C=C(F)C(=O)NC 1626a_100102657272_100000036797 [0,2,0,0,0,0|0,0,2]=4 881 B6R0.3 C=CC(=O)C(C)C 1458a_100000185746_100000210206 [0,2,0,0,0,0|0,0,1]=3 882 B6R0.3 C=CC(=O)N(C)C 1626a_100102631434_100000185746 [0,2,0,0,0,0|0,0,2]=4 883 B6R0.3 C=CC(=O)N(C)C 240690a_100102631434_200121576911 [0,2,0,0,0,0|0,0,2]=4 884 B6R0.3 C=CC(C)C(=O)C 1458a_100011216780_200000210301 [0,2,0,0,0,0|0,0,0]=2 885 B6R0.3 C=CC(C)C(=O)[13CH3] 1458a_100011216780_200025704644 [0,2,0,0,0,0|0,0,0]=2 886 B6R0.3 C=CC(C)N(C)C 269982a_100102631434_100011215867 [0,2,0,0,0,0|2,0,0]=4 887 B6R0.3 CC(=O)C(C)C#N 1458a_100000070787_100000703298 [0,2,0,0,0,0|0,0,0]=2 888 B6R0.3 CC(=O)C(C)C#N 1458a_100000753662_200000210301 [0,2,0,0,0,0|0,0,0]=2 889 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [0,2,0,0,0,0|0,0,0]=2 890 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [0,2,0,0,0,0|0,0,0]=2 891 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [0,2,0,0,0,0|0,0,0]=2 892 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [0,2,0,0,0,0|0,0,0]=2 893 B6R0.3 CC(C#N)C(=O)[13CH3] 1458a_100000753662_200025704644 [0,2,0,0,0,0|0,0,0]=2 894 B6R0.3 CC(C#N)N(C)C 2230a_100102631434_100000184139 [0,2,0,0,0,0|2,0,0]=4 895 B6R0.3 CC(C#N)N(C)C 269982a_100102631434_100000703298 [0,2,0,0,0,0|2,0,0]=4 896 B6R0.3 CC(C)C(=O)CF 1458a_100000210198_100015361967 [0,2,0,0,0,0|0,0,0]=2 897 B6R0.3 CC(C)C(=O)CO 1458a_100000210174_100000210206 [0,2,0,0,0,0|0,0,0]=2 898 B6R0.3 CC(C)C(C)N[13CH3] 2230a_100000211541_200025704644 [0,2,0,0,0,0|1,0,1]=4 899 B6R0.3 CC(C)C(C)O[13CH3] 7a_100000748068_200025704644 [0,2,0,0,0,0|0,0,2]=4 900 B6R0.3 CC(C)N(C)CF 269982a_200000211004_100015361967 [0,2,0,0,0,0|2,0,0]=4 901 B6R0.3 CC(CO)N(C)C 2230a_100000693034_200000210301 [0,2,0,0,0,0|2,0,0]=4 902 B6R0.3 CC(CO)N(C)C 2230a_100102631434_100012180447 [0,2,0,0,0,0|2,0,0]=4 903 B6R0.3 CC(CO)N(C)C 269982a_100000693034_200000210301 [0,2,0,0,0,0|2,0,0]=4 904 B6R0.3 CC(CO)N(C)[13CH3] 2230a_100000693034_200025704644 [0,2,0,0,0,0|2,0,0]=4 905 B6R0.3 CC(CO)N(C)[13CH3] 269982a_100000693034_200025704644 [0,2,0,0,0,0|2,0,0]=4 906 B6R0.3 CC(F)C(=O)CF 1458a_100000062450_100015361967 [0,2,0,0,0,0|0,0,0]=2 907 B6R0.3 CC(S[13CH3])C(=O)N 62a_100000702099_200025704644 [0,2,0,0,0,0|1,0,0]=3 908 B6R0.3 CC(S[13CH3])C(=O)N 62a_200025704644_100000702099 [0,2,0,0,0,0|1,0,0]=3 909 B6R0.3 CCC(=O)C(C)C 1458a_100000210198_100000210202 [0,2,0,0,0,0|0,0,0]=2 910 B6R0.3 CCC(=O)C(C)C 1458a_100000210414_100000210206 [0,2,0,0,0,0|0,0,0]=2 911 B6R0.3 CCC(=O)C(C)F 1458a_100000062450_100000210202 [0,2,0,0,0,0|0,0,0]=2 912 B6R0.3 CCC(=O)C(O)O 1458a_100000233687_100000210202 [0,2,0,0,0,0|0,0,0]=2 913 B6R0.3 CCC(=O)N(C)C 11a_100102631434_100000210414 [0,2,0,0,0,0|0,0,0]=2 914 B6R0.3 CCC(=O)N(C)C 1626a_100102631434_100000210414 [0,2,0,0,0,0|0,0,0]=2 915 B6R0.3 CCC(=O)N(C)C 240690a_100102631434_100000210414 [0,2,0,0,0,0|0,0,0]=2 916 B6R0.3 CCC(=O)N(C)C 527a_100102631434_100000210414 [0,2,0,0,0,0|0,0,0]=2 917 B6R0.3 CCC(=O)[C@@H](C)O 1458a_100000717761_100000210202 [0,2,0,0,0,0|0,0,0]=2 918 B6R0.3 CCC(=O)[C@H](C)O 1458a_217856618621_100000210202 [0,2,0,0,0,0|0,0,0]=2 919 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [0,2,0,0,0,0|0,0,0]=2 920 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [0,2,0,0,0,0|0,0,0]=2 921 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [0,2,0,0,0,0|0,0,0]=2 922 B6R0.3 CCC(C)N(C)C 2230a_100000741768_200000210301 [0,2,0,0,0,0|1,0,1]=4 923 B6R0.3 CCC(C)N(C)C 2230a_100102631434_100000758301 [0,2,0,0,0,0|1,0,1]=4 924 B6R0.3 CCC(C)N(C)C 269982a_100000741768_200000210301 [0,2,0,0,0,0|1,0,1]=4 925 B6R0.3 CCC(C)N(C)C 269982a_100102631434_100000758301 [0,2,0,0,0,0|1,0,1]=4 926 B6R0.3 CCC(C)N(C)[13CH3] 2230a_100000741768_200025704644 [0,2,0,0,0,0|1,0,1]=4 927 B6R0.3 CCC(C)N(C)[13CH3] 269982a_100000741768_200025704644 [0,2,0,0,0,0|1,0,1]=4 928 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [0,2,0,0,0,0|0,0,0]=2 929 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [0,2,0,0,0,0|0,0,0]=2 930 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [0,2,0,0,0,0|0,0,0]=2 931 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [0,2,0,0,0,0|0,0,0]=2 932 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [0,2,0,0,0,0|0,0,0]=2 933 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [0,2,0,0,0,0|0,0,0]=2 934 B6R0.3 CCN(C)C(C)C 2230a_100000223864_200000210301 [0,2,0,0,0,0|1,0,1]=4 935 B6R0.3 CCN(C)C(C)C 2230a_100000225621_100000210206 [0,2,0,0,0,0|1,0,1]=4 936 B6R0.3 CCN(C)C(C)C 269982a_100000223864_200000210301 [0,2,0,0,0,0|1,0,1]=4 937 B6R0.3 CCN(C)C(C)C 269982a_100000225621_100000210206 [0,2,0,0,0,0|1,0,1]=4 938 B6R0.3 CCN(C)C(C)C 269982a_200000211004_100000204670 [0,2,0,0,0,0|1,0,1]=4 939 B6R0.3 CCN([13CH3])C(C)C 2230a_100000223864_200025704644 [0,2,0,0,0,0|1,0,1]=4 940 B6R0.3 CCN([13CH3])C(C)C 269982a_100000223864_200025704644 [0,2,0,0,0,0|1,0,1]=4 941 B6R0.3 CN(C)C(=O)CO 240690a_100102631434_100000210174 [0,2,0,0,0,0|1,0,0]=3 942 B6R0.3 CN(C)C(=O)CO 527a_100102631434_100000210174 [0,2,0,0,0,0|1,0,0]=3 943 B6R0.3 CNC(=O)C(=O)C 1458a_100011218921_200000210301 [0,2,0,0,0,0|0,0,1]=3 944 B6R0.3 CNC(=O)C(=O)N 240690a_100102657272_100011215815 [0,2,0,0,0,0|1,0,1]=4 945 B6R0.3 CNC(=O)C(=O)[13CH3] 1458a_100011218921_200025704644 [0,2,0,0,0,0|0,0,1]=3 946 B6R0.3 CNC(=O)C(C)C 11a_106832991635_100000210198 [0,2,0,0,0,0|0,0,0]=2 947 B6R0.3 CNC(=O)C(C)C 1626a_100102657272_100000210198 [0,2,0,0,0,0|0,0,0]=2 948 B6R0.3 CNC(=O)C(C)C 240690a_100102657272_100000210198 [0,2,0,0,0,0|0,0,0]=2 949 B6R0.3 CNC(=O)C(C)C 527a_100102657272_100000210198 [0,2,0,0,0,0|0,0,0]=2 950 B6R0.3 CNC(=O)C(C)F 11a_106832991635_100000062450 [0,2,0,0,0,0|0,0,0]=2 951 B6R0.3 CNC(=O)C(C)F 1626a_100102657272_100000062450 [0,2,0,0,0,0|0,0,0]=2 952 B6R0.3 CNC(=O)C(C)F 240690a_100102657272_100000062450 [0,2,0,0,0,0|0,0,0]=2 953 B6R0.3 CNC(=O)C(C)F 527a_100102657272_100000062450 [0,2,0,0,0,0|0,0,0]=2 954 B6R0.3 CNC(=O)C(F)F 11a_106832991635_100000210393 [0,2,0,0,0,0|1,0,0]=3 955 B6R0.3 CNC(=O)C(F)F 1626a_100102657272_100000210393 [0,2,0,0,0,0|1,0,0]=3 956 B6R0.3 CNC(=O)C(F)F 240690a_100102657272_100000210393 [0,2,0,0,0,0|1,0,0]=3 957 B6R0.3 CNC(=O)C(F)F 527a_100102657272_100000210393 [0,2,0,0,0,0|1,0,0]=3 958 B6R0.3 CNC(=O)C(O)O 240690a_100102657272_100000233687 [0,2,0,0,0,0|1,0,0]=3 959 B6R0.3 CNC(=O)N(C)C 2708a_100102657272_100102631434 [0,2,0,0,0,0|1,0,0]=3 960 B6R0.3 CNC(=O)[C@@H](C)O 240690a_100102657272_100000717761 [0,2,0,0,0,0|0,0,0]=2 961 B6R0.3 CNC(=O)[C@H](C)O 1626a_100102657272_217856618621 [0,2,0,0,0,0|0,0,0]=2 962 B6R0.3 CNC(=O)[C@H](C)O 240690a_100102657272_217856618621 [0,2,0,0,0,0|0,0,0]=2 963 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [0,2,0,0,0,0|0,0,0]=2 964 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [0,2,0,0,0,0|0,0,0]=2 965 B6R0.3 CNC(C)C(=O)N 2230a_106832991635_100000702099 [0,2,0,0,0,0|1,0,0]=3 966 B6R0.3 CNC(C)C(=O)N 34a_100102657272_100000702099 [0,2,0,0,0,0|1,0,0]=3 967 B6R0.3 CNC(C)C(=O)N 7a_106832991635_100000702099 [0,2,0,0,0,0|1,0,0]=3 968 B6R0.3 CNC(C)C(C)C 2230a_100000211541_200000210301 [0,2,0,0,0,0|1,0,1]=4 969 B6R0.3 CNC(F)C(=O)N 2230a_106832991635_100009813875 [0,2,0,0,0,0|1,0,0]=3 970 B6R0.3 CNC(F)C(=O)N 34a_100102657272_100009813875 [0,2,0,0,0,0|1,0,0]=3 971 B6R0.3 CNC(F)C(=O)N 7a_106832991635_100009813875 [0,2,0,0,0,0|1,0,0]=3 972 B6R0.3 CNC(F)C(=O)[O-] 34a_100102657272_100020610796 [0,2,0,0,0,0|1,0,0]=3 973 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [0,2,0,0,0,0|1,0,0]=3 974 B6R0.3 CN[C@H](C)C(=O)N 2230a_100000119354_200000210301 [0,2,0,0,0,0|1,0,0]=3 975 B6R0.3 CN[C@H](C)C(=O)N 34a_100000119354_200000210301 [0,2,0,0,0,0|1,0,0]=3 976 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [0,2,0,0,0,0|0,0,0]=2 977 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [0,2,0,0,0,0|0,0,0]=2 978 B6R0.3 COC(C)C(=O)N 34a_100138415774_100000702099 [0,2,0,0,0,0|1,0,0]=3 979 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [0,2,0,0,0,0|0,0,0]=2 980 B6R0.3 COC(C)C(C)C 7a_100000748068_200000210301 [0,2,0,0,0,0|0,0,2]=4 981 B6R0.3 COC(C)N(C)C 269982a_100102631434_100009879195 [0,2,0,0,0,0|2,0,0]=4 982 B6R0.3 COC(F)C(=O)N 34a_100138415774_100009813875 [0,2,0,0,0,0|1,0,0]=3 983 B6R0.3 COC(F)C(=O)[O-] 34a_100138415774_100020610796 [0,2,0,0,0,0|1,0,0]=3 984 B6R0.3 CO[C@@H](C)C(=O)[O-] 7a_217856618621_200000210301 [0,2,0,0,0,0|1,0,0]=3 985 B6R0.3 CO[C@H](C)C(=O)N 34a_100000731257_200000210301 [0,2,0,0,0,0|1,0,0]=3 986 B6R0.3 CO[C@H](C)C(=O)N 7a_100000731257_200000210301 [0,2,0,0,0,0|1,0,0]=3 987 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [0,2,0,0,0,0|0,0,0]=2 988 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [0,2,0,0,0,0|0,0,0]=2 989 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [0,2,0,0,0,0|0,0,0]=2 990 B6R0.3 CSC(C)C(=O)N 62a_100000702099_200000210301 [0,2,0,0,0,0|1,0,0]=3 991 B6R0.3 CSC(C)C(=O)N 62a_200000210301_100000702099 [0,2,0,0,0,0|1,0,0]=3 992 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [0,2,0,0,0,0|0,0,0]=2 993 B6R0.3 CSC(F)C(=O)N 62a_100009813875_200000210301 [0,2,0,0,0,0|1,0,0]=3 994 B6R0.3 CSC(F)C(=O)N 62a_200000210301_100009813875 [0,2,0,0,0,0|1,0,0]=3 995 B6R0.3 CSC(F)C(=O)[O-] 62a_100020610796_200000210301 [0,2,0,0,0,0|1,0,0]=3 996 B6R0.3 CSC(F)C(=O)[O-] 62a_200000210301_100020610796 [0,2,0,0,0,0|1,0,0]=3 997 B6R0.3 C[C@@H](N[13CH3])C(=O)N 2230a_100000119354_200025704644 [0,2,0,0,0,0|1,0,0]=3 998 B6R0.3 C[C@@H](N[13CH3])C(=O)N 34a_100000119354_200025704644 [0,2,0,0,0,0|1,0,0]=3 999 B6R0.3 C[C@@H](O)C(=O)CF 1458a_100000717761_100015361967 [0,2,0,0,0,0|0,0,0]=2 1000 B6R0.3 C[C@@H](O[13CH3])C(=O)N 34a_100000731257_200025704644 [0,2,0,0,0,0|1,0,0]=3 1001 B6R0.3 C[C@@H](O[13CH3])C(=O)N 7a_100000731257_200025704644 [0,2,0,0,0,0|1,0,0]=3 1002 B6R0.3 C[C@H](CO)N(C)C 269982a_100102631434_100016084084 [0,2,0,0,0,0|2,0,0]=4 1003 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [0,2,0,0,0,0|1,0,0]=3 1004 B6R0.3 C[C@H](O)C(=O)CF 1458a_217856618621_100015361967 [0,2,0,0,0,0|0,0,0]=2 1005 B6R0.3 C[C@H](O[13CH3])C(=O)[O-] 7a_217856618621_200025704644 [0,2,0,0,0,0|1,0,0]=3 1006 B6R0.3 O=C(CF)C(O)O 1458a_100000233687_100015361967 [0,2,0,0,0,0|1,0,0]=3 1007 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [0,2,0,0,0,0|0,0,0]=2 1008 B6R0.3 [13CH3]SC(F)C(=O)N 62a_100009813875_200025704644 [0,2,0,0,0,0|1,0,0]=3 1009 B6R0.3 [13CH3]SC(F)C(=O)N 62a_200025704644_100009813875 [0,2,0,0,0,0|1,0,0]=3 1010 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_100020610796_200025704644 [0,2,0,0,0,0|1,0,0]=3 1011 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_200025704644_100020610796 [0,2,0,0,0,0|1,0,0]=3 1012 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [0,2,0,0,0,0|0,0,0]=2 1013 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [0,2,0,0,0,0|0,0,0]=2 1014 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [0,2,0,0,0,0|0,0,0]=2 1015 B6R0.4 C#CCCN(C)C 2230a_100102631434_100000688953 [0,2,0,0,0,0|2,0,0]=4 1016 B6R0.4 C#CCCN(C)C 269982a_100102631434_100000730999 [0,2,0,0,0,0|2,0,0]=4 1017 B6R0.4 C#CCNC(=O)C 11a_100000212058_100015343762 [0,2,0,0,0,0|0,0,1]=3 1018 B6R0.4 C#CCNC(=O)C 1626a_100000212058_100015343762 [0,2,0,0,0,0|0,0,1]=3 1019 B6R0.4 C#CCNC(=O)C 240690a_100000212058_100015343762 [0,2,0,0,0,0|0,0,1]=3 1020 B6R0.4 C#CCNC(=O)C 527a_100000212058_100103153847 [0,2,0,0,0,0|0,0,1]=3 1021 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [0,2,0,0,0,0|0,0,0]=2 1022 B6R0.4 C/C=C/CN(C)C 269982a_100102631434_100102629194 [0,2,0,0,0,0|2,0,0]=4 1023 B6R0.4 C=C(Br)CCOC 34a_100009813270_200000210301 [0,2,0,0,0,0|1,0,1]=4 1024 B6R0.4 C=C(Br)CCO[13CH3] 34a_100009813270_200025704644 [0,2,0,0,0,0|1,0,1]=4 1025 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [0,2,0,0,0,0|1,0,0]=3 1026 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [0,2,0,0,0,0|1,0,0]=3 1027 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [0,2,0,0,0,0|1,0,0]=3 1028 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [0,2,0,0,0,0|1,0,0]=3 1029 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [0,2,0,0,0,0|1,0,0]=3 1030 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [0,2,0,0,0,0|1,0,0]=3 1031 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [0,2,0,0,0,0|1,0,0]=3 1032 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [0,2,0,0,0,0|1,0,0]=3 1033 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [0,2,0,0,0,0|1,0,0]=3 1034 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [0,2,0,0,0,0|1,0,0]=3 1035 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [0,2,0,0,0,0|1,0,0]=3 1036 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [0,2,0,0,0,0|1,0,0]=3 1037 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [0,2,0,0,0,0|1,0,0]=3 1038 B6R0.4 C=C(C)COCF 34a_100000210245_100015361967 [0,2,0,0,0,0|1,0,0]=3 1039 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [0,2,0,0,0,0|1,0,0]=3 1040 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [0,2,0,0,0,0|1,0,0]=3 1041 B6R0.4 C=C(C)CSCF 62a_100000748629_100015361967 [0,2,0,0,0,0|1,0,0]=3 1042 B6R0.4 C=C(C)CSCF 62a_100015361967_100000211660 [0,2,0,0,0,0|1,0,0]=3 1043 B6R0.4 C=C(F)CNCC 2230a_100015525214_100009893438 [0,2,0,0,0,0|1,0,1]=4 1044 B6R0.4 C=C(F)COCC 34a_100121572206_100009893438 [0,2,0,0,0,0|1,0,1]=4 1045 B6R0.4 C=C(F)COCC 34a_200010262243_100000210202 [0,2,0,0,0,0|1,0,1]=4 1046 B6R0.4 C=C(F)COCF 34a_200010262243_100015361967 [0,2,0,0,0,0|1,0,1]=4 1047 B6R0.4 C=C(F)CSCC 62a_100000042424_100000210202 [0,2,0,0,0,0|1,0,1]=4 1048 B6R0.4 C=C(F)CSCC 62a_100000210202_100000042424 [0,2,0,0,0,0|1,0,1]=4 1049 B6R0.4 C=C(F)CSCF 62a_100000042424_100015361967 [0,2,0,0,0,0|1,0,1]=4 1050 B6R0.4 C=C(F)CSCF 62a_100015361967_100000042424 [0,2,0,0,0,0|1,0,1]=4 1051 B6R0.4 C=CC=CC(=O)C 1458a_100016291481_200000210301 [0,2,0,0,0,0|0,0,2]=4 1052 B6R0.4 C=CC=CC(=O)[13CH3] 1458a_100016291481_200025704644 [0,2,0,0,0,0|0,0,2]=4 1053 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [0,2,0,0,0,0|0,0,0]=2 1054 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [0,2,0,0,0,0|0,0,0]=2 1055 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [0,2,0,0,0,0|0,0,0]=2 1056 B6R0.4 C=CCCN(C)C 2230a_100020639649_200000210301 [0,2,0,0,0,0|2,0,0]=4 1057 B6R0.4 C=CCCN(C)C 2230a_100102631434_100000754431 [0,2,0,0,0,0|2,0,0]=4 1058 B6R0.4 C=CCCN(C)C 269982a_100020639649_200000210301 [0,2,0,0,0,0|2,0,0]=4 1059 B6R0.4 C=CCCN(C)C 269982a_100102631434_100000754431 [0,2,0,0,0,0|2,0,0]=4 1060 B6R0.4 C=CCCN(C)[13CH3] 2230a_100020639649_200025704644 [0,2,0,0,0,0|2,0,0]=4 1061 B6R0.4 C=CCCN(C)[13CH3] 269982a_100020639649_200025704644 [0,2,0,0,0,0|2,0,0]=4 1062 B6R0.4 C=CCNC(=O)C 1626a_100020586998_100015343762 [0,2,0,0,0,0|0,0,1]=3 1063 B6R0.4 C=CCNC(=O)C 240690a_100020586998_100015343762 [0,2,0,0,0,0|0,0,1]=3 1064 B6R0.4 C=CCNC(=O)C 527a_100020586998_100103153847 [0,2,0,0,0,0|0,0,1]=3 1065 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [0,2,0,0,0,0|0,0,0]=2 1066 B6R0.4 CC#CCN(C)C 2230a_100102631434_100000748600 [0,2,0,0,0,0|2,0,0]=4 1067 B6R0.4 CC(=CCN[13CH3])C 34a_100000718196_200025704644 [0,2,0,0,0,0|1,0,0]=3 1068 B6R0.4 CC(=CCO[13CH3])C 34a_100000753907_200025704644 [0,2,0,0,0,0|1,0,0]=3 1069 B6R0.4 CC(=CCS[13CH3])C 62a_100000761012_200025704644 [0,2,0,0,0,0|1,0,0]=3 1070 B6R0.4 CC(=CCS[13CH3])C 62a_200025704644_100000761012 [0,2,0,0,0,0|1,0,0]=3 1071 B6R0.4 CC(=O)C#CCO 1458a_100000049017_200000210301 [0,2,0,0,0,0|0,0,1]=3 1072 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [0,2,0,0,0,0|0,0,0]=2 1073 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [0,2,0,0,0,0|0,0,0]=2 1074 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [0,2,0,0,0,0|0,0,0]=2 1075 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [0,2,0,0,0,0|0,0,0]=2 1076 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [0,2,0,0,0,0|0,0,0]=2 1077 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [0,2,0,0,0,0|0,0,0]=2 1078 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [0,2,0,0,0,0|0,0,0]=2 1079 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [0,2,0,0,0,0|0,0,0]=2 1080 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [0,2,0,0,0,0|0,0,0]=2 1081 B6R0.4 CC(=O)NCC#N 1626a_100000734998_100015343762 [0,2,0,0,0,0|0,0,1]=3 1082 B6R0.4 CC(=O)NCC#N 527a_100000734998_100103153847 [0,2,0,0,0,0|0,0,1]=3 1083 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [0,2,0,0,0,0|0,0,0]=2 1084 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [0,2,0,0,0,0|0,0,0]=2 1085 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [0,2,0,0,0,0|0,0,0]=2 1086 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [0,2,0,0,0,0|0,0,0]=2 1087 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [0,2,0,0,0,0|0,0,0]=2 1088 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [0,2,0,0,0,0|0,0,0]=2 1089 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [0,2,0,0,0,0|0,0,0]=2 1090 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [0,2,0,0,0,0|0,0,0]=2 1091 B6R0.4 CC(Br)CCO[13CH3] 34a_100009893172_200025704644 [0,2,0,0,0,0|1,0,1]=4 1092 B6R0.4 CC(Br)COCF 34a_100012180447_100015361967 [0,2,0,0,0,0|1,0,1]=4 1093 B6R0.4 CC(C)CCO[13CH3] 34a_100000210254_200025704644 [0,2,0,0,0,0|1,0,1]=4 1094 B6R0.4 CC(C)CCO[13CH3] 7a_100000210254_200025704644 [0,2,0,0,0,0|1,0,1]=4 1095 B6R0.4 CC(C)CCS[13CH3] 62a_100000210312_200025704644 [0,2,0,0,0,0|1,0,1]=4 1096 B6R0.4 CC(C)CCS[13CH3] 62a_200025704644_100000210312 [0,2,0,0,0,0|1,0,1]=4 1097 B6R0.4 CC(C)CNCF 34a_100000210953_100015361967 [0,2,0,0,0,0|1,0,1]=4 1098 B6R0.4 CC(C)COCF 34a_100000210257_100015361967 [0,2,0,0,0,0|1,0,1]=4 1099 B6R0.4 CC(C)CSCF 62a_100000210624_100015361967 [0,2,0,0,0,0|1,0,1]=4 1100 B6R0.4 CC(C)CSCF 62a_100015361967_100000210760 [0,2,0,0,0,0|1,0,1]=4 1101 B6R0.4 CC(C)NCCF 2230a_100138425928_100011217306 [0,2,0,0,0,0|1,0,1]=4 1102 B6R0.4 CC(C)NCCF 34a_100000724931_100000210206 [0,2,0,0,0,0|1,0,1]=4 1103 B6R0.4 CC(C)NCCF 34a_100138425928_100011217306 [0,2,0,0,0,0|1,0,1]=4 1104 B6R0.4 CC(C)NCCO 2230a_100016997473_100000210206 [0,2,0,0,0,0|1,0,1]=4 1105 B6R0.4 CC(C)NCCO 2230a_100138425928_100000211926 [0,2,0,0,0,0|1,0,1]=4 1106 B6R0.4 CC(C)NCCO 34a_100016990907_100000210206 [0,2,0,0,0,0|1,0,1]=4 1107 B6R0.4 CC(C)NCCO 34a_100138425928_100000211926 [0,2,0,0,0,0|1,0,1]=4 1108 B6R0.4 CC(C)OCCBr 34a_100000211926_100000210206 [0,2,0,0,0,0|1,0,1]=4 1109 B6R0.4 CC(C)OCCF 34a_100000212225_100011217306 [0,2,0,0,0,0|1,0,1]=4 1110 B6R0.4 CC(C)OCCN 34a_100000210304_100000210206 [0,2,0,0,0,0|1,0,1]=4 1111 B6R0.4 CC(C)OCCO 34a_100000212225_100000211926 [0,2,0,0,0,0|1,0,1]=4 1112 B6R0.4 CC(C)OCS[13CH3] 62a_100000709892_200025704644 [0,2,0,0,0,0|1,0,1]=4 1113 B6R0.4 CC(C)OCS[13CH3] 62a_200025704644_100000709892 [0,2,0,0,0,0|1,0,1]=4 1114 B6R0.4 CC(C)SCCF 62a_100000210206_100011217306 [0,2,0,0,0,0|1,0,1]=4 1115 B6R0.4 CC(C)SCCF 62a_100011217306_100000210206 [0,2,0,0,0,0|1,0,1]=4 1116 B6R0.4 CC(C)SCCO 62a_100000210206_100000211926 [0,2,0,0,0,0|1,0,1]=4 1117 B6R0.4 CC(C)SCCO 62a_100000211926_100000210206 [0,2,0,0,0,0|1,0,1]=4 1118 B6R0.4 CC(F)COCF 34a_100015925927_100015361967 [0,2,0,0,0,0|1,0,1]=4 1119 B6R0.4 CC(O)CCN[13CH3] 2230a_200000755665_200025704644 [0,2,0,0,0,0|0,0,2]=4 1120 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [0,2,0,0,0,0|0,0,2]=4 1121 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [0,2,0,0,0,0|0,0,2]=4 1122 B6R0.4 CC(O)CNCF 34a_100000210904_100015361967 [0,2,0,0,0,0|0,0,2]=4 1123 B6R0.4 CC(O)CSCF 62a_100011218427_100015361967 [0,2,0,0,0,0|0,0,2]=4 1124 B6R0.4 CC(O)CSCF 62a_100015361967_100011218427 [0,2,0,0,0,0|0,0,2]=4 1125 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [0,2,0,0,0,0|0,0,0]=2 1126 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [0,2,0,0,0,0|0,0,0]=2 1127 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [0,2,0,0,0,0|0,0,0]=2 1128 B6R0.4 CC=CCN(C)C 2230a_100102631434_100000070051 [0,2,0,0,0,0|2,0,0]=4 1129 B6R0.4 CC=NNC(=O)C 4a_100000189765_200000210099 [0,2,0,0,0,0|0,0,1]=3 1130 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [0,2,0,0,0,0|0,0,0]=2 1131 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [0,2,0,0,0,0|0,0,0]=2 1132 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [0,2,0,0,0,0|0,0,0]=2 1133 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [0,2,0,0,0,0|0,0,0]=2 1134 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [0,2,0,0,0,0|0,0,0]=2 1135 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [0,2,0,0,0,0|0,0,0]=2 1136 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [0,2,0,0,0,0|0,0,0]=2 1137 B6R0.4 CCCCN(C)C 2230a_100000207549_200000210301 [0,2,0,0,0,0|2,0,0]=4 1138 B6R0.4 CCCCN(C)C 2230a_100102631434_100000210211 [0,2,0,0,0,0|2,0,0]=4 1139 B6R0.4 CCCCN(C)C 269982a_100000207549_200000210301 [0,2,0,0,0,0|2,0,0]=4 1140 B6R0.4 CCCCN(C)C 269982a_100102631434_100000210211 [0,2,0,0,0,0|2,0,0]=4 1141 B6R0.4 CCCCN(C)[13CH3] 2230a_100000207549_200025704644 [0,2,0,0,0,0|2,0,0]=4 1142 B6R0.4 CCCCN(C)[13CH3] 269982a_100000207549_200025704644 [0,2,0,0,0,0|2,0,0]=4 1143 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [0,2,0,0,0,0|0,0,0]=2 1144 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [0,2,0,0,0,0|0,0,0]=2 1145 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [0,2,0,0,0,0|0,0,0]=2 1146 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [0,2,0,0,0,0|0,0,0]=2 1147 B6R0.4 CCCNC(C)C 2230a_100138425928_100000210303 [0,2,0,0,0,0|1,0,1]=4 1148 B6R0.4 CCCNC(C)C 34a_100138425928_100000210303 [0,2,0,0,0,0|1,0,1]=4 1149 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [0,2,0,0,0,0|1,0,1]=4 1150 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [0,2,0,0,0,0|1,0,1]=4 1151 B6R0.4 CCCSC(C)C 62a_100000210206_100000210303 [0,2,0,0,0,0|1,0,1]=4 1152 B6R0.4 CCCSC(C)C 62a_100000210303_100000210206 [0,2,0,0,0,0|1,0,1]=4 1153 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [0,2,0,0,0,0|1,0,0]=3 1154 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [0,2,0,0,0,0|1,0,0]=3 1155 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [0,2,0,0,0,0|1,0,0]=3 1156 B6R0.4 CCNCC(C)C 2230a_100000210953_100000210202 [0,2,0,0,0,0|1,0,1]=4 1157 B6R0.4 CCNCC(C)C 2230a_100015525214_100000210760 [0,2,0,0,0,0|1,0,1]=4 1158 B6R0.4 CCNCC(C)C 270004a_100015525214_100000210432 [0,2,0,0,0,0|1,0,1]=4 1159 B6R0.4 CCNCC(C)C 34a_100000210953_100000210202 [0,2,0,0,0,0|1,0,1]=4 1160 B6R0.4 CCNCC(C)O 2230a_100000210904_100000210202 [0,2,0,0,0,0|0,0,2]=4 1161 B6R0.4 CCNCC(C)O 2230a_100015525214_100011218427 [0,2,0,0,0,0|0,0,2]=4 1162 B6R0.4 CCNCC(C)O 34a_100000210904_100000210202 [0,2,0,0,0,0|0,0,2]=4 1163 B6R0.4 CCNC[C@@H](C)O 2230a_100015525214_100009817552 [0,2,0,0,0,0|0,0,2]=4 1164 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [0,2,0,0,0,0|0,0,0]=2 1165 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [0,2,0,0,0,0|0,0,0]=2 1166 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [0,2,0,0,0,0|0,0,0]=2 1167 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [0,2,0,0,0,0|1,0,0]=3 1168 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [0,2,0,0,0,0|0,0,0]=2 1169 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [0,2,0,0,0,0|1,0,0]=3 1170 B6R0.4 CCOCC(C)Br 34a_100012180447_100000210202 [0,2,0,0,0,0|1,0,1]=4 1171 B6R0.4 CCOCC(C)C 34a_100000210257_100000210202 [0,2,0,0,0,0|1,0,1]=4 1172 B6R0.4 CCOCC(C)C 34a_100121572206_100000210624 [0,2,0,0,0,0|1,0,1]=4 1173 B6R0.4 CCOCC(C)F 34a_100015925927_100000210202 [0,2,0,0,0,0|1,0,1]=4 1174 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [0,2,0,0,0,0|0,0,2]=4 1175 B6R0.4 CCOCN(C)C 269982a_100102631434_100000739092 [0,2,0,0,0,0|2,0,0]=4 1176 B6R0.4 CCOC[C@@H](C)Cl 34a_100016084084_100000210202 [0,2,0,0,0,0|1,0,1]=4 1177 B6R0.4 CCOC[C@@H](C)N 34a_100000737577_100000210202 [0,2,0,0,0,0|1,0,1]=4 1178 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [0,2,0,0,0,0|0,0,2]=4 1179 B6R0.4 CCOC[N+](=O)[O-] 34a_100121572206_100000761209 [0,2,0,0,0,0|2,0,0]=4 1180 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [0,2,0,0,0,0|0,0,0]=2 1181 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [0,2,0,0,0,0|1,0,0]=3 1182 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [0,2,0,0,0,0|1,0,0]=3 1183 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [0,2,0,0,0,0|0,0,0]=2 1184 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [0,2,0,0,0,0|1,0,0]=3 1185 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [0,2,0,0,0,0|1,0,0]=3 1186 B6R0.4 CCSCC(C)C 62a_100000210202_100000210760 [0,2,0,0,0,0|1,0,1]=4 1187 B6R0.4 CCSCC(C)C 62a_100000210624_100000210202 [0,2,0,0,0,0|1,0,1]=4 1188 B6R0.4 CCSCC(C)O 62a_100000210202_100011218427 [0,2,0,0,0,0|0,0,2]=4 1189 B6R0.4 CCSCC(C)O 62a_100011218427_100000210202 [0,2,0,0,0,0|0,0,2]=4 1190 B6R0.4 CCSC[C@@H](C)O 62a_100000210202_100009817552 [0,2,0,0,0,0|0,0,2]=4 1191 B6R0.4 CCSC[C@@H](C)O 62a_100009817552_100000210202 [0,2,0,0,0,0|0,0,2]=4 1192 B6R0.4 CCSC[N+](=O)[O-] 62a_100000210202_100000761209 [0,2,0,0,0,0|2,0,0]=4 1193 B6R0.4 CN(C)CCC#N 2230a_100000184479_200000210301 [0,2,0,0,0,0|2,0,0]=4 1194 B6R0.4 CN(C)CCC#N 2230a_100102631434_100011215226 [0,2,0,0,0,0|2,0,0]=4 1195 B6R0.4 CN(C)CCC#N 269982a_100102631434_100011215226 [0,2,0,0,0,0|2,0,0]=4 1196 B6R0.4 CN(C)CCCF 2230a_100102631434_100011934791 [0,2,0,0,0,0|2,0,0]=4 1197 B6R0.4 CN(C)CCCF 269982a_100102631434_100011934791 [0,2,0,0,0,0|2,0,0]=4 1198 B6R0.4 CN(C)CCCO 2230a_100000213112_200000210301 [0,2,0,0,0,0|2,0,0]=4 1199 B6R0.4 CN(C)CCCO 2230a_100102631434_100000230001 [0,2,0,0,0,0|2,0,0]=4 1200 B6R0.4 CN(C)CCCO 269982a_100000213112_200000210301 [0,2,0,0,0,0|2,0,0]=4 1201 B6R0.4 CN(C)CCCO 269982a_100102631434_100011215043 [0,2,0,0,0,0|2,0,0]=4 1202 B6R0.4 CN(C)CCS[13CH3] 62a_200025704644_100000755713 [0,2,0,0,0,0|2,0,0]=4 1203 B6R0.4 CN([13CH3])CCC#N 2230a_100000184479_200025704644 [0,2,0,0,0,0|2,0,0]=4 1204 B6R0.4 CN([13CH3])CCCO 2230a_100000213112_200025704644 [0,2,0,0,0,0|2,0,0]=4 1205 B6R0.4 CN([13CH3])CCCO 269982a_100000213112_200025704644 [0,2,0,0,0,0|2,0,0]=4 1206 B6R0.4 CNCC=C(C)C 2230a_106832991635_100000761012 [0,2,0,0,0,0|1,0,0]=3 1207 B6R0.4 CNCC=C(C)C 34a_100000718196_200000210301 [0,2,0,0,0,0|1,0,0]=3 1208 B6R0.4 CNCC=C(C)C 34a_100102657272_100000761012 [0,2,0,0,0,0|1,0,0]=3 1209 B6R0.4 CNCC=C(C)C 7a_106832991635_100000761012 [0,2,0,0,0,0|1,0,0]=3 1210 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [0,2,0,0,0,0|0,0,0]=2 1211 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [0,2,0,0,0,0|1,0,0]=3 1212 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [0,2,0,0,0,0|1,0,0]=3 1213 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [0,2,0,0,0,0|1,0,0]=3 1214 B6R0.4 CNCCC(C)C 2230a_106832991635_100000210312 [0,2,0,0,0,0|1,0,1]=4 1215 B6R0.4 CNCCC(C)C 269862a_106832991636_100000185833 [0,2,0,0,0,0|1,0,1]=4 1216 B6R0.4 CNCCC(C)C 34a_100102657272_100000210312 [0,2,0,0,0,0|1,0,1]=4 1217 B6R0.4 CNCCC(C)C 7a_106832991635_100000210626 [0,2,0,0,0,0|1,0,1]=4 1218 B6R0.4 CNCCC(C)O 2230a_106832991635_100012276601 [0,2,0,0,0,0|0,0,2]=4 1219 B6R0.4 CNCCC(C)O 2230a_200000755665_200000210301 [0,2,0,0,0,0|0,0,2]=4 1220 B6R0.4 CNCCC(C)O 34a_100102657272_100012276601 [0,2,0,0,0,0|0,0,2]=4 1221 B6R0.4 CNCCC(C)O 7a_106832991635_100012276601 [0,2,0,0,0,0|0,0,2]=4 1222 B6R0.4 CNCCN(C)C 7a_106832991635_100000755713 [0,2,0,0,0,0|2,0,0]=4 1223 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [0,2,0,0,0,0|0,0,0]=2 1224 B6R0.4 CNCOC(C)C 2230a_106832991635_100000709892 [0,2,0,0,0,0|1,0,1]=4 1225 B6R0.4 CNCOC(C)C 34a_100102657272_100000709892 [0,2,0,0,0,0|1,0,1]=4 1226 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [0,2,0,0,0,0|1,0,0]=3 1227 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [0,2,0,0,0,0|0,0,1]=3 1228 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [0,2,0,0,0,0|0,0,1]=3 1229 B6R0.4 COCC=C(C)C 34a_100000753907_200000210301 [0,2,0,0,0,0|1,0,0]=3 1230 B6R0.4 COCC=C(C)C 34a_100138415774_100000761012 [0,2,0,0,0,0|1,0,0]=3 1231 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [0,2,0,0,0,0|0,0,0]=2 1232 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [0,2,0,0,0,0|0,0,0]=2 1233 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [0,2,0,0,0,0|0,0,0]=2 1234 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [0,2,0,0,0,0|0,0,0]=2 1235 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [0,2,0,0,0,0|1,0,0]=3 1236 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [0,2,0,0,0,0|1,0,0]=3 1237 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [0,2,0,0,0,0|1,0,0]=3 1238 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [0,2,0,0,0,0|0,0,0]=2 1239 B6R0.4 COCCC(C)Br 34a_100009893172_200000210301 [0,2,0,0,0,0|1,0,1]=4 1240 B6R0.4 COCCC(C)C 34a_100000210254_200000210301 [0,2,0,0,0,0|1,0,1]=4 1241 B6R0.4 COCCC(C)C 34a_100138415774_100000210312 [0,2,0,0,0,0|1,0,1]=4 1242 B6R0.4 COCCC(C)C 7a_100000210254_200000210301 [0,2,0,0,0,0|1,0,1]=4 1243 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [0,2,0,0,0,0|0,0,2]=4 1244 B6R0.4 COCCN(C)C 2230a_100000743101_200000210301 [0,2,0,0,0,0|2,0,0]=4 1245 B6R0.4 COCCN(C)C 2230a_100102631434_100011201679 [0,2,0,0,0,0|2,0,0]=4 1246 B6R0.4 COCCN(C)C 269982a_100000743101_200000210301 [0,2,0,0,0,0|2,0,0]=4 1247 B6R0.4 COCCN(C)C 269982a_100102631434_100000233755 [0,2,0,0,0,0|2,0,0]=4 1248 B6R0.4 COCCN(C)[13CH3] 2230a_100000743101_200025704644 [0,2,0,0,0,0|2,0,0]=4 1249 B6R0.4 COCCN(C)[13CH3] 269982a_100000743101_200025704644 [0,2,0,0,0,0|2,0,0]=4 1250 B6R0.4 COCC[C@@H](C)N 34a_100000706166_200000210301 [0,2,0,0,0,0|1,0,1]=4 1251 B6R0.4 COCNC(C)C 2230a_100138425928_100000766300 [0,2,0,0,0,0|1,0,1]=4 1252 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [0,2,0,0,0,0|0,0,0]=2 1253 B6R0.4 COCOC(C)C 34a_100138415774_100000709892 [0,2,0,0,0,0|1,0,1]=4 1254 B6R0.4 COCSC(C)C 62a_100000210206_100000766300 [0,2,0,0,0,0|1,0,1]=4 1255 B6R0.4 COCSC(C)C 62a_100000766300_100000210206 [0,2,0,0,0,0|1,0,1]=4 1256 B6R0.4 CSCC=C(C)C 62a_100000761012_200000210301 [0,2,0,0,0,0|1,0,0]=3 1257 B6R0.4 CSCC=C(C)C 62a_200000210301_100000761012 [0,2,0,0,0,0|1,0,0]=3 1258 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [0,2,0,0,0,0|0,0,0]=2 1259 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [0,2,0,0,0,0|0,0,0]=2 1260 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [0,2,0,0,0,0|0,0,0]=2 1261 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [0,2,0,0,0,0|0,0,0]=2 1262 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [0,2,0,0,0,0|1,0,0]=3 1263 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [0,2,0,0,0,0|1,0,0]=3 1264 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [0,2,0,0,0,0|0,0,0]=2 1265 B6R0.4 CSCCC(C)C 62a_100000210312_200000210301 [0,2,0,0,0,0|1,0,1]=4 1266 B6R0.4 CSCCC(C)C 62a_200000210301_100000210312 [0,2,0,0,0,0|1,0,1]=4 1267 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [0,2,0,0,0,0|0,0,2]=4 1268 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [0,2,0,0,0,0|0,0,2]=4 1269 B6R0.4 CSCCN(C)C 2230a_100000686725_200000210301 [0,2,0,0,0,0|2,0,0]=4 1270 B6R0.4 CSCCN(C)C 2230a_100102631434_100000751147 [0,2,0,0,0,0|2,0,0]=4 1271 B6R0.4 CSCCN(C)C 269982a_100000686725_200000210301 [0,2,0,0,0,0|2,0,0]=4 1272 B6R0.4 CSCCN(C)C 269982a_100102631434_100000212216 [0,2,0,0,0,0|2,0,0]=4 1273 B6R0.4 CSCCN(C)C 62a_200000210301_100000755713 [0,2,0,0,0,0|2,0,0]=4 1274 B6R0.4 CSCCN(C)[13CH3] 2230a_100000686725_200025704644 [0,2,0,0,0,0|2,0,0]=4 1275 B6R0.4 CSCCN(C)[13CH3] 269982a_100000686725_200025704644 [0,2,0,0,0,0|2,0,0]=4 1276 B6R0.4 CSCNC(C)C 2230a_100138425928_100011218213 [0,2,0,0,0,0|1,0,1]=4 1277 B6R0.4 CSCNC(C)C 34a_100138425928_100011218213 [0,2,0,0,0,0|1,0,1]=4 1278 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [0,2,0,0,0,0|0,0,0]=2 1279 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [0,2,0,0,0,0|0,0,0]=2 1280 B6R0.4 CSCOC(C)C 34a_100000212225_100011218213 [0,2,0,0,0,0|1,0,1]=4 1281 B6R0.4 CSCOC(C)C 62a_100000709892_200000210301 [0,2,0,0,0,0|1,0,1]=4 1282 B6R0.4 CSCOC(C)C 62a_200000210301_100000709892 [0,2,0,0,0,0|1,0,1]=4 1283 B6R0.4 CSCSC(C)C 62a_100000210206_100011218213 [0,2,0,0,0,0|1,0,1]=4 1284 B6R0.4 CSCSC(C)C 62a_100011218213_100000210206 [0,2,0,0,0,0|1,0,1]=4 1285 B6R0.4 C[C@@H](Cl)COCF 34a_100016084084_100015361967 [0,2,0,0,0,0|1,0,1]=4 1286 B6R0.4 C[C@@H](N)CCO[13CH3] 34a_100000706166_200025704644 [0,2,0,0,0,0|1,0,1]=4 1287 B6R0.4 C[C@@H](N)COCF 34a_100000737577_100015361967 [0,2,0,0,0,0|1,0,1]=4 1288 B6R0.4 C[C@@H](O)CSCF 62a_100009817552_100015361967 [0,2,0,0,0,0|0,0,2]=4 1289 B6R0.4 C[C@@H](O)CSCF 62a_100015361967_100009817552 [0,2,0,0,0,0|0,0,2]=4 1290 B6R0.4 NC(=O)CSCF 62a_100000747473_100015361967 [0,2,0,0,0,0|1,0,0]=3 1291 B6R0.4 NC(=O)CSCF 62a_100015361967_100000747473 [0,2,0,0,0,0|1,0,0]=3 1292 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [0,2,0,0,0,0|1,0,0]=3 1293 B6R0.4 O=C([O-])CSCF 62a_100015361967_100020667443 [0,2,0,0,0,0|1,0,0]=3 1294 B6R0.4 O=C([O-])CSCF 62a_100020667443_100015361967 [0,2,0,0,0,0|1,0,0]=3 1295 B6R0.4 O=[N+]([O-])CSCF 62a_100015361967_100000761209 [0,2,0,0,0,0|2,0,0]=4 1296 B6R0.4 [13CH3]C(=O)C#CCO 1458a_100000049017_200025704644 [0,2,0,0,0,0|0,0,1]=3 1297 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [0,2,0,0,0,0|0,0,0]=2 1298 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [0,2,0,0,0,0|1,0,0]=3 1299 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [0,2,0,0,0,0|1,0,0]=3 1300 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [0,2,0,0,0,0|1,0,0]=3 1301 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [0,2,0,0,0,0|1,0,0]=3 1302 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [0,2,0,0,0,0|1,0,0]=3 1303 B6R0.5 CC(C)(C)CN[13CH3] 2230a_100000743828_200025704644 [0,2,0,0,0,0|1,0,1]=4 1304 B6R0.5 CC(C)(C)CS[13CH3] 62a_100011219605_200025704644 [0,2,0,0,0,0|1,0,1]=4 1305 B6R0.5 CC(C)(C)CS[13CH3] 62a_200025704644_100011219605 [0,2,0,0,0,0|1,0,1]=4 1306 B6R0.5 CC(C)(F)CN[13CH3] 2230a_100020643315_200025704644 [0,2,0,0,0,0|1,0,1]=4 1307 B6R0.5 CC(C)(F)CO[13CH3] 34a_100000716592_200025704644 [0,2,0,0,0,0|1,0,1]=4 1308 B6R0.5 CC(C)(F)CS[13CH3] 62a_100011997219_200025704644 [0,2,0,0,0,0|1,0,1]=4 1309 B6R0.5 CC(C)(F)CS[13CH3] 62a_200025704644_100011997219 [0,2,0,0,0,0|1,0,1]=4 1310 B6R0.5 CC(C)(O)CN[13CH3] 2230a_100000751335_200025704644 [0,2,0,0,0,0|0,0,2]=4 1311 B6R0.5 CC(C)(O)CS[13CH3] 62a_100000764493_200025704644 [0,2,0,0,0,0|0,0,2]=4 1312 B6R0.5 CC(C)(O)CS[13CH3] 62a_200025704644_100000764493 [0,2,0,0,0,0|0,0,2]=4 1313 B6R0.5 CC(F)(F)CO[13CH3] 34a_100000068830_200025704644 [0,2,0,0,0,0|1,0,1]=4 1314 B6R0.5 CCNC(C)(C)C 2230a_100000715429_100000210202 [0,2,0,0,0,0|1,0,1]=4 1315 B6R0.5 CCNS(=O)(=O)C 40a_100015525214_100000738038 [0,2,0,0,0,0|1,0,0]=3 1316 B6R0.5 CCOC(C)(C)C 34a_100015890283_100000210202 [0,2,0,0,0,0|1,0,1]=4 1317 B6R0.5 CCOC(C)(C)C 34a_100121572206_100000210625 [0,2,0,0,0,0|1,0,1]=4 1318 B6R0.5 CCOC(C)(C)C 7a_100015890283_100000210202 [0,2,0,0,0,0|1,0,1]=4 1319 B6R0.5 CCSC(C)(C)C 62a_100000210202_100000211941 [0,2,0,0,0,0|1,0,1]=4 1320 B6R0.5 CCSC(C)(C)C 62a_100000211941_100000210202 [0,2,0,0,0,0|1,0,1]=4 1321 B6R0.5 CNCC(C)(C)C 2230a_100000743828_200000210301 [0,2,0,0,0,0|1,0,1]=4 1322 B6R0.5 CNCC(C)(C)C 270004a_106832991635_100011204126 [0,2,0,0,0,0|1,0,1]=4 1323 B6R0.5 CNCC(C)(C)C 34a_100102657272_100011219605 [0,2,0,0,0,0|1,0,1]=4 1324 B6R0.5 CNCC(C)(C)F 2230a_100020643315_200000210301 [0,2,0,0,0,0|1,0,1]=4 1325 B6R0.5 CNCC(C)(C)F 34a_100102657272_100011997219 [0,2,0,0,0,0|1,0,1]=4 1326 B6R0.5 CNCC(C)(C)O 2230a_100000751335_200000210301 [0,2,0,0,0,0|0,0,2]=4 1327 B6R0.5 CNCC(C)(C)O 34a_100102657272_100000764493 [0,2,0,0,0,0|0,0,2]=4 1328 B6R0.5 CNCC(C)(C)O 7a_106832991635_100000764493 [0,2,0,0,0,0|0,0,2]=4 1329 B6R0.5 CNCS(=O)(=O)[O-] 34a_100102657272_100009817235 [0,2,0,0,0,0|2,0,0]=4 1330 B6R0.5 CNC[Si](C)(C)C 2230a_106832991635_100000037933 [0,2,0,0,0,0|1,1,0]=4 1331 B6R0.5 CNC[Si](C)(C)C 7a_106832991635_100000233785 [0,2,0,0,0,0|1,1,0]=4 1332 B6R0.5 CNNS(=O)(=O)C 40a_100016993582_100000738038 [0,2,0,0,0,0|2,0,0]=4 1333 B6R0.5 COCC(C)(C)C 34a_100138415774_100011219605 [0,2,0,0,0,0|1,0,1]=4 1334 B6R0.5 COCC(C)(C)F 34a_100000716592_200000210301 [0,2,0,0,0,0|1,0,1]=4 1335 B6R0.5 COCC(C)(C)F 34a_100138415774_100011997219 [0,2,0,0,0,0|1,0,1]=4 1336 B6R0.5 COCC(C)(C)O 34a_100138415774_100000764493 [0,2,0,0,0,0|0,0,2]=4 1337 B6R0.5 COCC(C)(F)F 34a_100000068830_200000210301 [0,2,0,0,0,0|1,0,1]=4 1338 B6R0.5 COCS(=O)(=O)[O-] 34a_100138415774_100009817235 [0,2,0,0,0,0|2,0,0]=4 1339 B6R0.5 CSCC(C)(C)C 62a_100011219605_200000210301 [0,2,0,0,0,0|1,0,1]=4 1340 B6R0.5 CSCC(C)(C)C 62a_200000210301_100011219605 [0,2,0,0,0,0|1,0,1]=4 1341 B6R0.5 CSCC(C)(C)F 62a_100011997219_200000210301 [0,2,0,0,0,0|1,0,1]=4 1342 B6R0.5 CSCC(C)(C)F 62a_200000210301_100011997219 [0,2,0,0,0,0|1,0,1]=4 1343 B6R0.5 CSCC(C)(C)O 62a_100000764493_200000210301 [0,2,0,0,0,0|0,0,2]=4 1344 B6R0.5 CSCC(C)(C)O 62a_200000210301_100000764493 [0,2,0,0,0,0|0,0,2]=4 1345 B6R0.5 CSCS(=O)(=O)N 62a_100000741382_200000210301 [0,2,0,0,0,0|2,0,0]=4 1346 B6R0.5 CSCS(=O)(=O)N 62a_200000210301_100000741382 [0,2,0,0,0,0|2,0,0]=4 1347 B6R0.5 CSCS(=O)(=O)[O-] 62a_100009817235_200000210301 [0,2,0,0,0,0|2,0,0]=4 1348 B6R0.5 CSCS(=O)(=O)[O-] 62a_200000210301_100009817235 [0,2,0,0,0,0|2,0,0]=4 1349 B6R0.5 CSC[N+](C)(C)C 62a_200000036245_200000210301 [0,2,0,0,0,0|2,0,0]=4 1350 B6R0.5 CSC[N+](C)(C)C 62a_200000210301_200000036245 [0,2,0,0,0,0|2,0,0]=4 1351 B6R0.5 CSC[Si](C)(C)C 62a_100000037933_200000210301 [0,2,0,0,0,0|1,1,0]=4 1352 B6R0.5 CSC[Si](C)(C)C 62a_200000210301_100000037933 [0,2,0,0,0,0|1,1,0]=4 1353 B6R0.5 C[N+](C)(C)CS[13CH3] 62a_200000036245_200025704644 [0,2,0,0,0,0|2,0,0]=4 1354 B6R0.5 C[N+](C)(C)CS[13CH3] 62a_200025704644_200000036245 [0,2,0,0,0,0|2,0,0]=4 1355 B6R0.5 C[Si](C)(C)CS[13CH3] 62a_100000037933_200025704644 [0,2,0,0,0,0|1,1,0]=4 1356 B6R0.5 C[Si](C)(C)CS[13CH3] 62a_200025704644_100000037933 [0,2,0,0,0,0|1,1,0]=4 1357 B6R0.5 [13CH3]SCS(=O)(=O)N 62a_100000741382_200025704644 [0,2,0,0,0,0|2,0,0]=4 1358 B6R0.5 [13CH3]SCS(=O)(=O)N 62a_200025704644_100000741382 [0,2,0,0,0,0|2,0,0]=4 1359 B6R0.5 [13CH3]SCS(=O)(=O)[O-] 62a_100009817235_200025704644 [0,2,0,0,0,0|2,0,0]=4 1360 B6R0.5 [13CH3]SCS(=O)(=O)[O-] 62a_200025704644_100009817235 [0,2,0,0,0,0|2,0,0]=4 1361 B6R0.8 CCC(C)(C)NC 2230a_100000211385_200000210301 [0,2,0,0,0,0|1,0,1]=4 1362 B6R0.8 CCC(C)(C)NC 7a_106832991635_100000210677 [0,2,0,0,0,0|1,0,1]=4 1363 B6R0.8 CCC(C)(C)N[13CH3] 2230a_100000211385_200025704644 [0,2,0,0,0,0|1,0,1]=4 1364 B6R0.8 CCC(C)(C)OC 7a_100000210230_200000210301 [0,2,0,0,0,0|0,0,2]=4 1365 B6R0.8 CCC(C)(C)O[13CH3] 7a_100000210230_200025704644 [0,2,0,0,0,0|0,0,2]=4 1366 B6R0.8 CCC(C)(C)SC 62a_100000032637_200000210301 [0,2,0,0,0,0|0,1,1]=4 1367 B6R0.8 CCC(C)(C)SC 62a_200000210301_100000032637 [0,2,0,0,0,0|0,1,1]=4 1368 B6R0.8 CCC(C)(C)S[13CH3] 62a_100000032637_200025704644 [0,2,0,0,0,0|0,1,1]=4 1369 B6R0.8 CCC(C)(C)S[13CH3] 62a_200025704644_100000032637 [0,2,0,0,0,0|0,1,1]=4 1370 B6R0.8 CCS(=O)(=O)NC 270084a_100102657272_100000211323 [0,2,0,0,0,0|1,0,0]=3 1371 B6R0.8 CCS(=O)(=O)NC 274078a_100102657272_100000211323 [0,2,0,0,0,0|1,0,0]=3 1372 B6R0.8 CCS(=O)(=O)NC 40a_100102657272_100000053943 [0,2,0,0,0,0|1,0,0]=3 1373 B6R0.8 CNS(=O)(=O)CCl 270084a_100102657272_100000031410 [0,2,0,0,0,0|2,0,0]=4 1374 B6R0.8 CNS(=O)(=O)CCl 274078a_100102657272_100000031410 [0,2,0,0,0,0|2,0,0]=4 1375 B6R0.9 C#CC(CC)OC 34a_100000758843_200000210301 [0,2,0,0,0,0|1,0,1]=4 1376 B6R0.9 C#CC(CC)OC 7a_100000758843_200000210301 [0,2,0,0,0,0|1,0,1]=4 1377 B6R0.9 C#CC(CC)O[13CH3] 34a_100000758843_200025704644 [0,2,0,0,0,0|1,0,1]=4 1378 B6R0.9 C#CC(CC)O[13CH3] 7a_100000758843_200025704644 [0,2,0,0,0,0|1,0,1]=4 1379 B6R0.9 C=CC(CC)OC 34a_100000766422_200000210301 [0,2,0,0,0,0|1,0,1]=4 1380 B6R0.9 C=CC(CC)OC 7a_100000766422_200000210301 [0,2,0,0,0,0|1,0,1]=4 1381 B6R0.9 C=CC(CC)O[13CH3] 34a_100000766422_200025704644 [0,2,0,0,0,0|1,0,1]=4 1382 B6R0.9 C=CC(CC)O[13CH3] 7a_100000766422_200025704644 [0,2,0,0,0,0|1,0,1]=4 1383 B6R0.9 CCC(CC)NC 2230a_100000199018_200000210301 [0,2,0,0,0,0|1,0,1]=4 1384 B6R0.9 CCC(CC)NC 270004a_106832991635_100000210860 [0,2,0,0,0,0|1,0,1]=4 1385 B6R0.9 CCC(CC)NC 7a_106832991635_100000210505 [0,2,0,0,0,0|1,0,1]=4 1386 B6R0.9 CCC(CC)N[13CH3] 2230a_100000199018_200025704644 [0,2,0,0,0,0|1,0,1]=4 1387 B6R0.9 CCC(CC)OC 7a_100000688536_200000210301 [0,2,0,0,0,0|0,0,2]=4 1388 B6R0.9 CCC(CC)O[13CH3] 7a_100000688536_200025704644 [0,2,0,0,0,0|0,0,2]=4 1389 B6R0.9 CCC(CC)SC 62a_100000210505_200000210301 [0,2,0,0,0,0|0,1,1]=4 1390 B6R0.9 CCC(CC)SC 62a_200000210301_100000210505 [0,2,0,0,0,0|0,1,1]=4 1391 B6R0.9 CCC(CC)S[13CH3] 62a_100000210505_200025704644 [0,2,0,0,0,0|0,1,1]=4 1392 B6R0.9 CCC(CC)S[13CH3] 62a_200025704644_100000210505 [0,2,0,0,0,0|0,1,1]=4 1393 B6R0.9 CCN(CC)CC 2230a_100000724800_100000210202 [0,2,0,0,0,0|2,0,0]=4 1394 B6R0.9 CCN(CC)CC 269956a_100000042499_100000210202 [0,2,0,0,0,0|2,0,0]=4 1395 B6R0.9 CCN(CC)CC 269982a_100000724800_100000204670 [0,2,0,0,0,0|2,0,0]=4 1396 B6R0.9 CCN(CC)CF 269956a_100000042499_100015361967 [0,2,0,0,0,0|2,0,0]=4 1397 B6R0.9 CCN(CC)CF 269982a_100000724800_100015361967 [0,2,0,0,0,0|2,0,0]=4 1398 B6R0.9 CC[C@@H](CO)NC 2230a_100000709445_200000210301 [0,2,0,0,0,0|0,0,2]=4 1399 B6R0.9 CC[C@@H](CO)N[13CH3] 2230a_100000709445_200025704644 [0,2,0,0,0,0|0,0,2]=4 1400 B6R0.7 CC(=O)C(C)(C)C 1458a_106744555173_200000210301 [0,2,0,0,0,0|0,0,0]=2 1401 B6R0.7 CC(=O)C(C)(C)F 1458a_100000765255_200000210301 [0,2,0,0,0,0|0,0,0]=2 1402 B6R0.7 CC(=O)C(C)(C)O 1458a_100000242741_200000210301 [0,2,0,0,0,0|0,0,0]=2 1403 B6R0.7 CC(=O)C(F)(F)F 1458a_100000070787_200000243211 [0,2,0,0,0,0|1,0,0]=3 1404 B6R0.7 CC(=O)C(F)(F)F 1458a_100015355933_200000210301 [0,2,0,0,0,0|1,0,0]=3 1405 B6R0.7 CC(C)(C)C(=O)[13CH3] 1458a_106744555173_200025704644 [0,2,0,0,0,0|0,0,0]=2 1406 B6R0.7 CC(C)(F)C(=O)[13CH3] 1458a_100000765255_200025704644 [0,2,0,0,0,0|0,0,0]=2 1407 B6R0.7 CC(C)(O)C(=O)[13CH3] 1458a_100000242741_200025704644 [0,2,0,0,0,0|0,0,0]=2 1408 B6R0.7 CN(C)C(C)(C)C 269982a_100011215553_200000210301 [0,2,0,0,0,0|2,0,0]=4 1409 B6R0.7 CN(C)C(C)(C)C 269982a_100102631434_100000210625 [0,2,0,0,0,0|2,0,0]=4 1410 B6R0.7 CN(C)S(=O)(=O)C 40a_100102631434_100000738038 [0,2,0,0,0,0|2,0,0]=4 1411 B6R0.7 CN([13CH3])C(C)(C)C 269982a_100011215553_200025704644 [0,2,0,0,0,0|2,0,0]=4 1412 B6R0.7 [13CH3]C(=O)C(F)(F)F 1458a_100015355933_200025704644 [0,2,0,0,0,0|1,0,0]=3 1413 B6R1.2 CN1CCCC1 2230a_100000188435_200000210301 [0,1,0,1,0,0|2,0,0]=4 1414 B6R1.2 CN1CCCC1 269982a_100000188435_200000210301 [0,1,0,1,0,0|2,0,0]=4 1415 B6R1.2 CN1CCSC1 2230a_100011215254_200000210301 [0,1,0,1,0,0|1,1,0]=4 1416 B6R1.2 CN1CCSC1 269982a_100011215254_200000210301 [0,1,0,1,0,0|1,1,0]=4 1417 B6R1.2 [13CH3]N1CCCC1 2230a_100000188435_200025704644 [0,1,0,1,0,0|2,0,0]=4 1418 B6R1.2 [13CH3]N1CCCC1 269982a_100000188435_200025704644 [0,1,0,1,0,0|2,0,0]=4 1419 B6R1.2 [13CH3]N1CCSC1 2230a_100011215254_200025704644 [0,1,0,1,0,0|1,1,0]=4 1420 B6R1.2 [13CH3]N1CCSC1 269982a_100011215254_200025704644 [0,1,0,1,0,0|1,1,0]=4 1421 B6R1.3 CCNC1CC1 34a_100000212008_100000210202 [0,1,0,1,0,0|1,0,1]=4 1422 B6R1.3 CCOC1CC1 34a_100121572206_100000211595 [0,1,0,1,0,0|1,0,1]=4 1423 B6R1.3 CCSC1CC1 62a_100000210202_100000211595 [0,1,0,1,0,0|1,0,1]=4 1424 B6R1.3 CNCC1CC1 2230a_100000735609_200000210301 [0,1,0,1,0,0|1,0,1]=4 1425 B6R1.3 CNCC1CC1 2230a_106832991635_100000742324 [0,1,0,1,0,0|1,0,1]=4 1426 B6R1.3 CNCC1CC1 269862a_106832991636_100000741477 [0,1,0,1,0,0|1,0,1]=4 1427 B6R1.3 CNCC1CC1 34a_100000735609_200000210301 [0,1,0,1,0,0|1,0,1]=4 1428 B6R1.3 CNCC1CC1 34a_100102657272_100000742324 [0,1,0,1,0,0|1,0,1]=4 1429 B6R1.3 CNCC1CC1 7a_106832991635_100000742324 [0,1,0,1,0,0|1,0,1]=4 1430 B6R1.3 CNCC1CO1 2230a_106832991635_100011216344 [0,1,0,1,0,0|0,0,2]=4 1431 B6R1.3 CNCC1CO1 34a_100102657272_102125554688 [0,1,0,1,0,0|0,0,2]=4 1432 B6R1.3 CNCC1CO1 7a_106832991635_102125554688 [0,1,0,1,0,0|0,0,2]=4 1433 B6R1.3 CNCC1CS1 7a_106832991635_100000031435 [0,1,0,1,0,0|0,1,1]=4 1434 B6R1.3 CNC[C@@H]1CO1 7a_106832991635_100000745022 [0,1,0,1,0,0|0,0,2]=4 1435 B6R1.3 COCC1CC1 34a_100000211283_200000210301 [0,1,0,1,0,0|1,0,1]=4 1436 B6R1.3 COCC1CC1 34a_100138415774_100000742324 [0,1,0,1,0,0|1,0,1]=4 1437 B6R1.3 COCC1CO1 34a_100138415774_102125554688 [0,1,0,1,0,0|0,0,2]=4 1438 B6R1.3 COC[C@@H]1CO1 34a_100000757423_200000210301 [0,1,0,1,0,0|0,0,2]=4 1439 B6R1.3 CSCC1CC1 62a_100000756562_200000210301 [0,1,0,1,0,0|1,0,1]=4 1440 B6R1.3 CSCC1CC1 62a_200000210301_100000742324 [0,1,0,1,0,0|1,0,1]=4 1441 B6R1.3 CSCC1CO1 62a_102125554688_200000210301 [0,1,0,1,0,0|0,0,2]=4 1442 B6R1.3 CSCC1CO1 62a_200000210301_102125554688 [0,1,0,1,0,0|0,0,2]=4 1443 B6R1.3 CSCC1CS1 62a_100000031435_200000210301 [0,1,0,1,0,0|0,1,1]=4 1444 B6R1.3 CSCC1CS1 62a_200000210301_100000031435 [0,1,0,1,0,0|0,1,1]=4 1445 B6R1.3 CSC[C@@H]1CO1 62a_100000745022_200000210301 [0,1,0,1,0,0|0,0,2]=4 1446 B6R1.3 CSC[C@@H]1CO1 62a_200000210301_100000745022 [0,1,0,1,0,0|0,0,2]=4 1447 B6R1.3 [13CH3]NCC1CC1 2230a_100000735609_200025704644 [0,1,0,1,0,0|1,0,1]=4 1448 B6R1.3 [13CH3]NCC1CC1 34a_100000735609_200025704644 [0,1,0,1,0,0|1,0,1]=4 1449 B6R1.3 [13CH3]OCC1CC1 34a_100000211283_200025704644 [0,1,0,1,0,0|1,0,1]=4 1450 B6R1.3 [13CH3]OC[C@@H]1CO1 34a_100000757423_200025704644 [0,1,0,1,0,0|0,0,2]=4 1451 B6R1.3 [13CH3]SCC1CC1 62a_100000756562_200025704644 [0,1,0,1,0,0|1,0,1]=4 1452 B6R1.3 [13CH3]SCC1CC1 62a_200025704644_100000742324 [0,1,0,1,0,0|1,0,1]=4 1453 B6R1.3 [13CH3]SCC1CO1 62a_102125554688_200025704644 [0,1,0,1,0,0|0,0,2]=4 1454 B6R1.3 [13CH3]SCC1CO1 62a_200025704644_102125554688 [0,1,0,1,0,0|0,0,2]=4 1455 B6R1.3 [13CH3]SCC1CS1 62a_100000031435_200025704644 [0,1,0,1,0,0|0,1,1]=4 1456 B6R1.3 [13CH3]SCC1CS1 62a_200025704644_100000031435 [0,1,0,1,0,0|0,1,1]=4 1457 B6R1.3 [13CH3]SC[C@@H]1CO1 62a_100000745022_200025704644 [0,1,0,1,0,0|0,0,2]=4 1458 B6R1.3 [13CH3]SC[C@@H]1CO1 62a_200025704644_100000745022 [0,1,0,1,0,0|0,0,2]=4 1459 B6R1.5 CC1CN(C1)C 2230a_100000702820_200000210301 [0,1,0,1,0,0|1,0,1]=4 1460 B6R1.5 CC1CN(C1)C 269982a_100000702820_200000210301 [0,1,0,1,0,0|1,0,1]=4 1461 B6R1.5 CC1CN(C1)C 34a_100000702820_200000210301 [0,1,0,1,0,0|1,0,1]=4 1462 B6R1.5 CC1CN(C1)[13CH3] 2230a_100000702820_200025704644 [0,1,0,1,0,0|1,0,1]=4 1463 B6R1.5 CC1CN(C1)[13CH3] 269982a_100000702820_200025704644 [0,1,0,1,0,0|1,0,1]=4 1464 B6R1.5 CC1CN(C1)[13CH3] 34a_100000702820_200025704644 [0,1,0,1,0,0|1,0,1]=4 1465 B6R1.5 CN1CC(C1)F 2230a_100000690557_200000210301 [0,1,0,1,0,0|1,0,1]=4 1466 B6R1.5 CN1CC(C1)F 269982a_100000690557_200000210301 [0,1,0,1,0,0|1,0,1]=4 1467 B6R1.5 CN1CC(C1)F 34a_100000690557_200000210301 [0,1,0,1,0,0|1,0,1]=4 1468 B6R1.5 CN1CC(C1)O 269982a_100000749847_200000210301 [0,1,0,1,0,0|0,0,2]=4 1469 B6R1.5 [13CH3]N1CC(C1)F 2230a_100000690557_200025704644 [0,1,0,1,0,0|1,0,1]=4 1470 B6R1.5 [13CH3]N1CC(C1)F 269982a_100000690557_200025704644 [0,1,0,1,0,0|1,0,1]=4 1471 B6R1.5 [13CH3]N1CC(C1)F 34a_100000690557_200025704644 [0,1,0,1,0,0|1,0,1]=4 1472 B6R1.5 [13CH3]N1CC(C1)O 269982a_100000749847_200025704644 [0,1,0,1,0,0|0,0,2]=4 1473 B6R1.8 CN[C@@H]1C[C@@H]1F 2230a_100015190264_200000210301 [0,1,0,1,0,0|1,0,1]=4 1474 B6R1.8 CN[C@@H]1C[C@H]1F 2230a_100025746932_200000210301 [0,1,0,1,0,0|1,0,1]=4 1475 B6R1.8 CN[C@@H]1C[C@H]1F 34a_100025746932_200000210301 [0,1,0,1,0,0|1,0,1]=4 1476 B6R1.8 [13CH3]N[C@@H]1C[C@@H]1F 2230a_100015190264_200025704644 [0,1,0,1,0,0|1,0,1]=4 1477 B6R1.8 [13CH3]N[C@@H]1C[C@H]1F 2230a_100025746932_200025704644 [0,1,0,1,0,0|1,0,1]=4 1478 B6R1.8 [13CH3]N[C@@H]1C[C@H]1F 34a_100025746932_200025704644 [0,1,0,1,0,0|1,0,1]=4 1479 B6R1.11 CC(=O)C1CC1 1458a_100000210395_200000210301 [0,1,0,1,0,0|0,0,0]=2 1480 B6R1.11 CC(=O)C1CO1 1458a_100000701028_200000210301 [0,1,0,1,0,0|0,0,0]=2 1481 B6R1.11 CN(C)C1CC1 2230a_100000226674_200000210301 [0,1,0,1,0,0|2,0,0]=4 1482 B6R1.11 CN(C)C1CC1 269982a_100000226674_200000210301 [0,1,0,1,0,0|2,0,0]=4 1483 B6R1.11 CN(C)C1CC1 269982a_100102631434_100000211595 [0,1,0,1,0,0|2,0,0]=4 1484 B6R1.11 CN([13CH3])C1CC1 2230a_100000226674_200025704644 [0,1,0,1,0,0|2,0,0]=4 1485 B6R1.11 CN([13CH3])C1CC1 269982a_100000226674_200025704644 [0,1,0,1,0,0|2,0,0]=4 1486 B6R1.11 [13CH3]C(=O)C1CC1 1458a_100000210395_200025704644 [0,1,0,1,0,0|0,0,0]=2 1487 B6R1.11 [13CH3]C(=O)C1CO1 1458a_100000701028_200025704644 [0,1,0,1,0,0|0,0,0]=2 1488 B6R1.4 CC1CCN1C 269982a_100000755817_200000210301 [0,1,0,1,0,0|1,0,1]=4 1489 B6R1.4 CC1CCN1C 34a_100000755817_200000210301 [0,1,0,1,0,0|1,0,1]=4 1490 B6R1.4 CC1CCN1[13CH3] 269982a_100000755817_200025704644 [0,1,0,1,0,0|1,0,1]=4 1491 B6R1.4 CC1CCN1[13CH3] 34a_100000755817_200025704644 [0,1,0,1,0,0|1,0,1]=4 1492 B6R1.6 CCN1CCC1 269982a_100000754969_100000204670 [0,1,0,1,0,0|2,0,0]=4 1493 B6R1.6 CNC1CCC1 2230a_100000749019_200000210301 [0,1,0,1,0,0|1,0,1]=4 1494 B6R1.6 CNC1CCC1 270004a_106832991635_100000241760 [0,1,0,1,0,0|1,0,1]=4 1495 B6R1.6 CNC1CCC1 34a_100000749019_200000210301 [0,1,0,1,0,0|1,0,1]=4 1496 B6R1.6 CNC1CCC1 34a_100102657272_100000749161 [0,1,0,1,0,0|1,0,1]=4 1497 B6R1.6 COC1CCC1 34a_100000748187_200000210301 [0,1,0,1,0,0|0,0,2]=4 1498 B6R1.6 COC1CCC1 34a_100138415774_100000749161 [0,1,0,1,0,0|0,0,2]=4 1499 B6R1.6 CSC1CCC1 62a_200000210301_100000749161 [0,1,0,1,0,0|0,1,1]=4 1500 B6R1.6 FCN1CCC1 269982a_100000754969_100015361967 [0,1,0,1,0,0|2,0,0]=4 1501 B6R1.6 [13CH3]NC1CCC1 2230a_100000749019_200025704644 [0,1,0,1,0,0|1,0,1]=4 1502 B6R1.6 [13CH3]NC1CCC1 34a_100000749019_200025704644 [0,1,0,1,0,0|1,0,1]=4 1503 B6R1.6 [13CH3]OC1CCC1 34a_100000748187_200025704644 [0,1,0,1,0,0|0,0,2]=4 1504 B6R1.6 [13CH3]SC1CCC1 62a_200025704644_100000749161 [0,1,0,1,0,0|0,1,1]=4 1505 B6R1.7 CC1(CC1)N[13CH3] 2230a_100000757604_200025704644 [0,1,0,1,0,0|1,0,1]=4 1506 B6R1.7 CC1(CC1)O[13CH3] 7a_100011725673_200025704644 [0,1,0,1,0,0|0,0,2]=4 1507 B6R1.7 CNC1(CC1)C 2230a_100000757604_200000210301 [0,1,0,1,0,0|1,0,1]=4 1508 B6R1.7 COC1(CC1)C 7a_100011725673_200000210301 [0,1,0,1,0,0|0,0,2]=4