0 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.1 C#CC(C)NCC 2230a_100000707721_100000210202 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.1 C#CC(C)NCC 34a_100000707721_100000210202 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.1 C#CC(C)NCF 34a_100000707721_100015361967 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.1 C#CC(C)OCC 34a_100121572206_200000035995 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.1 C#CC(C)SCC 62a_200000035995_100000210202 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.1 C#CC(C)SCF 62a_200000035995_100015361967 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.1 C#CCC(C)OC 34a_100000685586_200000210301 [0,0,0,0,0,0|2,0,2]=4 8 B6R0.1 C#CCC(C)OC 7a_100000685586_200000210301 [0,0,0,0,0,0|2,0,2]=4 9 B6R0.1 C#CCC(C)O[13CH3] 34a_100000685586_200025704644 [0,0,0,0,0,0|2,0,2]=4 10 B6R0.1 C#CCC(C)O[13CH3] 7a_100000685586_200025704644 [0,0,0,0,0,0|2,0,2]=4 11 B6R0.1 C#C[C@@H](C)OCC 34a_100009815206_100000210202 [0,0,0,0,0,0|2,0,1]=3 12 B6R0.1 C#C[C@@H](C)OCC 7a_100009815206_100000210202 [0,0,0,0,0,0|2,0,1]=3 13 B6R0.1 C#C[C@@H](C)OCF 34a_100009815206_100015361967 [0,0,0,0,0,0|3,0,1]=4 14 B6R0.1 C#C[C@@H](C)OCF 7a_100009815206_100015361967 [0,0,0,0,0,0|3,0,1]=4 15 B6R0.1 C/C=C/C(C)OC 34a_200102604097_200000210301 [0,0,0,0,0,0|2,0,2]=4 16 B6R0.1 C/C=C/C(C)O[13CH3] 34a_200102604097_200025704644 [0,0,0,0,0,0|2,0,2]=4 17 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [0,0,0,0,0,0|2,0,1]=3 18 B6R0.1 C=CC(=O)CCF 1458a_100000185746_100011217306 [0,0,0,0,0,0|3,0,1]=4 19 B6R0.1 C=CC(=O)CCO 1458a_100000185746_100000211926 [0,0,0,0,0,0|3,0,1]=4 20 B6R0.1 C=CC(=O)NCC 240690a_100015525214_200121576911 [0,0,0,0,0,0|3,0,1]=4 21 B6R0.1 C=CC(C)COC 34a_100011215527_200000210301 [0,0,0,0,0,0|2,0,0]=2 22 B6R0.1 C=CC(C)COC 7a_100011215527_200000210301 [0,0,0,0,0,0|2,0,0]=2 23 B6R0.1 C=CC(C)CO[13CH3] 34a_100011215527_200025704644 [0,0,0,0,0,0|2,0,0]=2 24 B6R0.1 C=CC(C)CO[13CH3] 7a_100011215527_200025704644 [0,0,0,0,0,0|2,0,0]=2 25 B6R0.1 C=CC(C)OCC 34a_100000695699_100000210202 [0,0,0,0,0,0|2,0,0]=2 26 B6R0.1 C=CC(C)OCF 34a_100000695699_100015361967 [0,0,0,0,0,0|3,0,0]=3 27 B6R0.1 C=CC(C)SCC 62a_100011215867_100000210202 [0,0,0,0,0,0|2,0,0]=2 28 B6R0.1 C=CC(C)SCF 62a_100011215867_100015361967 [0,0,0,0,0,0|3,0,0]=3 29 B6R0.1 C=CC(O)CNC 2230a_106832991635_100000730141 [0,0,0,0,0,0|3,0,0]=3 30 B6R0.1 C=CC(O)CNC 34a_100102657272_100000730141 [0,0,0,0,0,0|3,0,0]=3 31 B6R0.1 C=CC(O)CNC 7a_106832991635_100000730141 [0,0,0,0,0,0|3,0,0]=3 32 B6R0.1 C=CC(O)COC 34a_100138415774_100000730141 [0,0,0,0,0,0|3,0,0]=3 33 B6R0.1 C=CC(O)CSC 62a_100000730141_200000210301 [0,0,0,0,0,0|3,0,0]=3 34 B6R0.1 C=CC(O)CSC 62a_200000210301_100000730141 [0,0,0,0,0,0|3,0,0]=3 35 B6R0.1 C=CC(O)CS[13CH3] 62a_100000730141_200025704644 [0,0,0,0,0,0|3,0,0]=3 36 B6R0.1 C=CC(O)CS[13CH3] 62a_200025704644_100000730141 [0,0,0,0,0,0|3,0,0]=3 37 B6R0.1 C=CC[C@@H](C)OC 34a_100000731007_200000210301 [0,0,0,0,0,0|2,0,2]=4 38 B6R0.1 C=CC[C@@H](C)OC 7a_100000731007_200000210301 [0,0,0,0,0,0|2,0,2]=4 39 B6R0.1 C=CC[C@@H](C)O[13CH3] 34a_100000731007_200025704644 [0,0,0,0,0,0|2,0,2]=4 40 B6R0.1 C=CC[C@@H](C)O[13CH3] 7a_100000731007_200025704644 [0,0,0,0,0,0|2,0,2]=4 41 B6R0.1 C=C[C@H](N)COC 34a_100016989147_200000210301 [0,0,0,0,0,0|3,0,0]=3 42 B6R0.1 C=C[C@H](N)CO[13CH3] 34a_100016989147_200025704644 [0,0,0,0,0,0|3,0,0]=3 43 B6R0.1 CC#CC(C)OC 34a_100011216543_200000210301 [0,0,0,0,0,0|2,0,2]=4 44 B6R0.1 CC#CC(C)O[13CH3] 34a_100011216543_200025704644 [0,0,0,0,0,0|2,0,2]=4 45 B6R0.1 CC(C#N)OCF 34a_100011218135_100015361967 [0,0,0,0,0,0|3,0,1]=4 46 B6R0.1 CC(C#N)SCF 62a_100000703298_100015361967 [0,0,0,0,0,0|3,0,1]=4 47 B6R0.1 CC(C#N)SCF 62a_100015361967_100000703298 [0,0,0,0,0,0|3,0,1]=4 48 B6R0.1 CC(CC#N)S[13CH3] 62a_100009813641_200025704644 [0,0,0,0,0,0|3,0,1]=4 49 B6R0.1 CC(CC#N)S[13CH3] 62a_200025704644_100009813641 [0,0,0,0,0,0|3,0,1]=4 50 B6R0.1 CC(CCBr)O[13CH3] 34a_100012276601_200025704644 [0,0,0,0,0,0|3,0,0]=3 51 B6R0.1 CC(CCO)S[13CH3] 62a_100009893172_200025704644 [0,0,0,0,0,0|3,0,0]=3 52 B6R0.1 CC(CCO)S[13CH3] 62a_200025704644_100009893172 [0,0,0,0,0,0|3,0,0]=3 53 B6R0.1 CC(CF)OCF 34a_100016041109_100015361967 [0,0,0,0,0,0|3,0,1]=4 54 B6R0.1 CC(CF)OCF 7a_100016041109_100015361967 [0,0,0,0,0,0|3,0,1]=4 55 B6R0.1 CC(CN)CO[13CH3] 34a_100000744482_200025704644 [0,0,0,0,0,0|2,0,1]=3 56 B6R0.1 CC(CN)OCF 34a_100000210904_100015361967 [0,0,0,0,0,0|3,0,1]=4 57 B6R0.1 CC(CO)CN[13CH3] 34a_100000744482_200025704644 [0,0,0,0,0,0|1,0,2]=3 58 B6R0.1 CC(CO)SCF 62a_100012180447_100015361967 [0,0,0,0,0,0|2,0,2]=4 59 B6R0.1 CCC(C)CNC 2230a_100020588543_200000210301 [0,0,0,0,0,0|2,0,1]=3 60 B6R0.1 CCC(C)CNC 2230a_106832991635_100000748023 [0,0,0,0,0,0|2,0,1]=3 61 B6R0.1 CCC(C)CNC 270004a_106832991635_100000243153 [0,0,0,0,0,0|2,0,1]=3 62 B6R0.1 CCC(C)CNC 34a_100102657272_100000748023 [0,0,0,0,0,0|2,0,1]=3 63 B6R0.1 CCC(C)CNC 7a_106832991635_100000748023 [0,0,0,0,0,0|2,0,1]=3 64 B6R0.1 CCC(C)CN[13CH3] 2230a_100020588543_200025704644 [0,0,0,0,0,0|2,0,1]=3 65 B6R0.1 CCC(C)COC 34a_100138415774_100000748023 [0,0,0,0,0,0|2,0,1]=3 66 B6R0.1 CCC(C)CSC 62a_100000748023_200000210301 [0,0,0,0,0,0|2,0,1]=3 67 B6R0.1 CCC(C)CSC 62a_200000210301_100000748023 [0,0,0,0,0,0|2,0,1]=3 68 B6R0.1 CCC(C)CS[13CH3] 62a_100000748023_200025704644 [0,0,0,0,0,0|2,0,1]=3 69 B6R0.1 CCC(C)CS[13CH3] 62a_200025704644_100000748023 [0,0,0,0,0,0|2,0,1]=3 70 B6R0.1 CCC(C)OCF 7a_100000210228_100015361967 [0,0,0,0,0,0|3,0,1]=4 71 B6R0.1 CCC(C)SCF 62a_100000758301_100015361967 [0,0,0,0,0,0|3,0,1]=4 72 B6R0.1 CCC(C)SCF 62a_100015361967_100000758301 [0,0,0,0,0,0|3,0,1]=4 73 B6R0.1 CCC(O)CNC 2230a_100011218483_200000210301 [0,0,0,0,0,0|3,0,1]=4 74 B6R0.1 CCC(O)CNC 2230a_106832991635_100011218378 [0,0,0,0,0,0|3,0,1]=4 75 B6R0.1 CCC(O)CNC 34a_100102657272_100011218378 [0,0,0,0,0,0|3,0,1]=4 76 B6R0.1 CCC(O)CNC 7a_106832991635_100011218378 [0,0,0,0,0,0|3,0,1]=4 77 B6R0.1 CCC(O)CN[13CH3] 2230a_100011218483_200025704644 [0,0,0,0,0,0|3,0,1]=4 78 B6R0.1 CCC(O)COC 34a_100138415774_100011218378 [0,0,0,0,0,0|3,0,1]=4 79 B6R0.1 CCC(O)CSC 62a_100011218378_200000210301 [0,0,0,0,0,0|3,0,1]=4 80 B6R0.1 CCC(O)CSC 62a_200000210301_100011218378 [0,0,0,0,0,0|3,0,1]=4 81 B6R0.1 CCC(O)CS[13CH3] 62a_100011218378_200025704644 [0,0,0,0,0,0|3,0,1]=4 82 B6R0.1 CCC(O)CS[13CH3] 62a_200025704644_100011218378 [0,0,0,0,0,0|3,0,1]=4 83 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [0,0,0,0,0,0|2,0,2]=4 84 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [0,0,0,0,0,0|2,0,2]=4 85 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [0,0,0,0,0,0|2,0,2]=4 86 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [0,0,0,0,0,0|1,0,3]=4 87 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [0,0,0,0,0,0|3,0,1]=4 88 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [0,0,0,0,0,0|3,0,1]=4 89 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [0,0,0,0,0,0|3,0,1]=4 90 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [0,0,0,0,0,0|3,0,1]=4 91 B6R0.1 CCCC(C)NC 2230a_100000741246_200000210301 [0,0,0,0,0,0|2,0,0]=2 92 B6R0.1 CCCC(C)NC 2230a_106832991635_100000766640 [0,0,0,0,0,0|2,0,0]=2 93 B6R0.1 CCCC(C)NC 270004a_106832991635_100000211909 [0,0,0,0,0,0|2,0,0]=2 94 B6R0.1 CCCC(C)NC 34a_100102657272_100000766640 [0,0,0,0,0,0|2,0,0]=2 95 B6R0.1 CCCC(C)NC 7a_106832991635_100000766640 [0,0,0,0,0,0|2,0,0]=2 96 B6R0.1 CCCC(C)N[13CH3] 2230a_100000741246_200025704644 [0,0,0,0,0,0|2,0,0]=2 97 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [0,0,0,0,0,0|2,0,0]=2 98 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [0,0,0,0,0,0|2,0,0]=2 99 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [0,0,0,0,0,0|2,0,0]=2 100 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [0,0,0,0,0,0|2,0,0]=2 101 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [0,0,0,0,0,0|2,0,0]=2 102 B6R0.1 CCCC(C)SC 62a_100000766640_200000210301 [0,0,0,0,0,0|2,0,0]=2 103 B6R0.1 CCCC(C)SC 62a_200000210301_100000766640 [0,0,0,0,0,0|2,0,0]=2 104 B6R0.1 CCCC(C)S[13CH3] 62a_100000766640_200025704644 [0,0,0,0,0,0|2,0,0]=2 105 B6R0.1 CCCC(C)S[13CH3] 62a_200025704644_100000766640 [0,0,0,0,0,0|2,0,0]=2 106 B6R0.1 CCCN(C)CC 2230a_100000225621_100000210303 [0,0,0,0,0,0|2,0,1]=3 107 B6R0.1 CCCN(C)CC 2230a_100000226822_200000210301 [0,0,0,0,0,0|2,0,1]=3 108 B6R0.1 CCCN(C)CC 2230a_100000747261_100000210202 [0,0,0,0,0,0|2,0,1]=3 109 B6R0.1 CCCN(C)CC 269982a_100000225621_100000210303 [0,0,0,0,0,0|2,0,1]=3 110 B6R0.1 CCCN(C)CC 269982a_100000226822_200000210301 [0,0,0,0,0,0|2,0,1]=3 111 B6R0.1 CCCN(C)CC 269982a_100000747261_100000204670 [0,0,0,0,0,0|2,0,1]=3 112 B6R0.1 CCCN(C)CF 269982a_100000747261_100015361967 [0,0,0,0,0,0|2,0,1]=3 113 B6R0.1 CCCN([13CH3])CC 2230a_100000226822_200025704644 [0,0,0,0,0,0|2,0,1]=3 114 B6R0.1 CCCN([13CH3])CC 269982a_100000226822_200025704644 [0,0,0,0,0,0|2,0,1]=3 115 B6R0.1 CCN(C)CCF 2230a_100000225621_100011217306 [0,0,0,0,0,0|3,0,1]=4 116 B6R0.1 CCN(C)CCF 269982a_100000225621_100011217306 [0,0,0,0,0,0|3,0,1]=4 117 B6R0.1 CCN(C)CCO 2230a_100000210263_100000210202 [0,0,0,0,0,0|3,0,1]=4 118 B6R0.1 CCN(C)CCO 2230a_100000210973_200000210301 [0,0,0,0,0,0|3,0,1]=4 119 B6R0.1 CCN(C)CCO 2230a_100000225621_100000211926 [0,0,0,0,0,0|3,0,1]=4 120 B6R0.1 CCN(C)CCO 269982a_100000210263_100000204670 [0,0,0,0,0,0|3,0,1]=4 121 B6R0.1 CCN(C)CCO 269982a_100000210973_200000210301 [0,0,0,0,0,0|3,0,1]=4 122 B6R0.1 CCN(C)CCO 269982a_100000225621_100000211926 [0,0,0,0,0,0|3,0,1]=4 123 B6R0.1 CCN(C)COC 2230a_100000225621_100000766300 [0,0,0,0,0,0|3,0,1]=4 124 B6R0.1 CCN(C)COC 269982a_100000225621_100000766300 [0,0,0,0,0,0|3,0,1]=4 125 B6R0.1 CCN(C)CSC 2230a_100000225621_100011218213 [0,0,0,0,0,0|3,0,1]=4 126 B6R0.1 CCN(C)CSC 269982a_100000225621_100011218213 [0,0,0,0,0,0|3,0,1]=4 127 B6R0.1 CCN([13CH3])CCO 2230a_100000210973_200025704644 [0,0,0,0,0,0|3,0,1]=4 128 B6R0.1 CCN([13CH3])CCO 269982a_100000210973_200025704644 [0,0,0,0,0,0|3,0,1]=4 129 B6R0.1 CCNC(C)C#N 2230a_100000737613_100000210202 [0,0,0,0,0,0|2,0,1]=3 130 B6R0.1 CCNC(C)C#N 2230a_100015525214_100000184139 [0,0,0,0,0,0|2,0,1]=3 131 B6R0.1 CCNC(C)CC 2230a_100000209981_100000210202 [0,0,0,0,0,0|2,0,1]=3 132 B6R0.1 CCNC(C)CC 2230a_100015525214_100000758301 [0,0,0,0,0,0|2,0,1]=3 133 B6R0.1 CCNC(C)CO 2230a_100015525214_100012180447 [0,0,0,0,0,0|1,0,2]=3 134 B6R0.1 CCN[C@H](C)CO 2230a_100000737577_100000210202 [0,0,0,0,0,0|1,0,2]=3 135 B6R0.1 CCOC(C)C#N 34a_100011218135_100000210202 [0,0,0,0,0,0|2,0,1]=3 136 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [0,0,0,0,0,0|2,0,1]=3 137 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [0,0,0,0,0,0|2,0,1]=3 138 B6R0.1 CCOC(C)CF 34a_100016041109_100000210202 [0,0,0,0,0,0|2,0,1]=3 139 B6R0.1 CCOC(C)CF 7a_100016041109_100000210202 [0,0,0,0,0,0|2,0,1]=3 140 B6R0.1 CCOC(C)CN 34a_100000210904_100000210202 [0,0,0,0,0,0|2,0,1]=3 141 B6R0.1 CCOC(C)CO 34a_100121572206_100012180447 [0,0,0,0,0,0|1,0,2]=3 142 B6R0.1 CCSC(C)C#N 62a_100000210202_100000703298 [0,0,0,0,0,0|2,0,1]=3 143 B6R0.1 CCSC(C)C#N 62a_100000703298_100000210202 [0,0,0,0,0,0|2,0,1]=3 144 B6R0.1 CCSC(C)CC 62a_100000210202_100000758301 [0,0,0,0,0,0|2,0,1]=3 145 B6R0.1 CCSC(C)CC 62a_100000758301_100000210202 [0,0,0,0,0,0|2,0,1]=3 146 B6R0.1 CCSC(C)CO 62a_100012180447_100000210202 [0,0,0,0,0,0|1,0,2]=3 147 B6R0.1 CCSC(C)OC 62a_100000210202_100009879195 [0,0,0,0,0,0|3,0,0]=3 148 B6R0.1 CCSC(C)OC 62a_100009879195_100000210202 [0,0,0,0,0,0|3,0,0]=3 149 B6R0.1 CCSC(F)C#N 62a_100000210202_200000117898 [0,0,0,0,0,0|3,0,1]=4 150 B6R0.1 CCSC(F)C#N 62a_200000117898_100000210202 [0,0,0,0,0,0|3,0,1]=4 151 B6R0.1 CCS[C@H](C)CO 62a_100000210202_100016084084 [0,0,0,0,0,0|1,0,2]=3 152 B6R0.1 CCS[C@H](C)CO 62a_100016084084_100000210202 [0,0,0,0,0,0|1,0,2]=3 153 B6R0.1 CC[C@H](C)CNC 2230a_106832991635_100009816398 [0,0,0,0,0,0|2,0,1]=3 154 B6R0.1 CC[C@H](C)CNC 34a_100102657272_100009816398 [0,0,0,0,0,0|2,0,1]=3 155 B6R0.1 CC[C@H](C)CNC 7a_106832991635_100009816398 [0,0,0,0,0,0|2,0,1]=3 156 B6R0.1 CC[C@H](C)COC 34a_100138415774_100009816398 [0,0,0,0,0,0|2,0,1]=3 157 B6R0.1 CC[C@H](C)COC 7a_100009816381_200000210301 [0,0,0,0,0,0|2,0,1]=3 158 B6R0.1 CC[C@H](C)CO[13CH3] 7a_100009816381_200025704644 [0,0,0,0,0,0|2,0,1]=3 159 B6R0.1 CC[C@H](C)CSC 62a_100009816398_200000210301 [0,0,0,0,0,0|2,0,1]=3 160 B6R0.1 CC[C@H](C)CSC 62a_200000210301_100009816398 [0,0,0,0,0,0|2,0,1]=3 161 B6R0.1 CC[C@H](C)CS[13CH3] 62a_100009816398_200025704644 [0,0,0,0,0,0|2,0,1]=3 162 B6R0.1 CC[C@H](C)CS[13CH3] 62a_200025704644_100009816398 [0,0,0,0,0,0|2,0,1]=3 163 B6R0.1 CN(CF)CCO 269982a_100000210263_100015361967 [0,0,0,0,0,0|3,0,1]=4 164 B6R0.1 CNC(C)CC#N 2230a_106832991635_100009813641 [0,0,0,0,0,0|3,0,1]=4 165 B6R0.1 CNC(C)CC#N 7a_106832991635_100009813641 [0,0,0,0,0,0|3,0,1]=4 166 B6R0.1 CNC(C)CCO 2230a_106832991635_100009893172 [0,0,0,0,0,0|3,0,0]=3 167 B6R0.1 CNC(C)CCO 34a_100102657272_100009893172 [0,0,0,0,0,0|3,0,0]=3 168 B6R0.1 CNC(C)CCO 7a_106832991635_100009893172 [0,0,0,0,0,0|3,0,0]=3 169 B6R0.1 CNC(C)COC 2230a_106832991635_100000765312 [0,0,0,0,0,0|3,0,0]=3 170 B6R0.1 CNC(C)COC 270004a_106832991635_100000749346 [0,0,0,0,0,0|3,0,0]=3 171 B6R0.1 CNC(C)COC 34a_100102657272_100000765312 [0,0,0,0,0,0|3,0,0]=3 172 B6R0.1 CNC(C)COC 7a_106832991635_100000765312 [0,0,0,0,0,0|3,0,0]=3 173 B6R0.1 CNC(C)CSC 270004a_106832991635_100011216314 [0,0,0,0,0,0|3,0,0]=3 174 B6R0.1 CNCC(C)CO 34a_100000744482_200000210301 [0,0,0,0,0,0|1,0,2]=3 175 B6R0.1 CNCC(O)CO 2230a_106832991635_100011219619 [0,0,0,0,0,0|2,0,2]=4 176 B6R0.1 CNCC(O)CO 34a_100102657272_100011219619 [0,0,0,0,0,0|2,0,2]=4 177 B6R0.1 CNCC(O)CO 7a_106832991635_100011219619 [0,0,0,0,0,0|2,0,2]=4 178 B6R0.1 CNC[C@@H](C)CO 2230a_106832991635_100000059175 [0,0,0,0,0,0|1,0,2]=3 179 B6R0.1 CNC[C@@H](C)CO 34a_100102657272_100000059175 [0,0,0,0,0,0|1,0,2]=3 180 B6R0.1 CNC[C@@H](C)CO 7a_106832991635_100000059175 [0,0,0,0,0,0|1,0,2]=3 181 B6R0.1 CNC[C@@H](C)OC 2230a_100020591295_200000210301 [0,0,0,0,0,0|3,0,0]=3 182 B6R0.1 CNC[C@@H](F)CO 34a_100015665980_200000210301 [0,0,0,0,0,0|2,0,2]=4 183 B6R0.1 CNC[C@@H](O)CF 2230a_106832991635_100015614560 [0,0,0,0,0,0|3,0,1]=4 184 B6R0.1 CNC[C@@H](O)CF 34a_100102657272_100015614560 [0,0,0,0,0,0|3,0,1]=4 185 B6R0.1 CNC[C@@H](O)CF 7a_106832991635_100015614560 [0,0,0,0,0,0|3,0,1]=4 186 B6R0.1 CNC[C@@H](O)CO 2230a_106832991635_100009815848 [0,0,0,0,0,0|2,0,2]=4 187 B6R0.1 CNC[C@@H](O)CO 34a_100102657272_100009815848 [0,0,0,0,0,0|2,0,2]=4 188 B6R0.1 CNC[C@@H](O)CO 7a_106832991635_100009815848 [0,0,0,0,0,0|2,0,2]=4 189 B6R0.1 CNC[C@H](O)CO 2230a_100020644852_200000210301 [0,0,0,0,0,0|2,0,2]=4 190 B6R0.1 CN[C@@H](C)CC#N 2230a_100016994482_200000210301 [0,0,0,0,0,0|3,0,1]=4 191 B6R0.1 CN[C@H](C)CCO 2230a_100000706166_200000210301 [0,0,0,0,0,0|3,0,0]=3 192 B6R0.1 CN[C@H](C)CCO 34a_100000706166_200000210301 [0,0,0,0,0,0|3,0,0]=3 193 B6R0.1 CN[C@H](C)COC 2230a_100000764878_200000210301 [0,0,0,0,0,0|3,0,0]=3 194 B6R0.1 COC(C)CCBr 34a_100012276601_200000210301 [0,0,0,0,0,0|3,0,0]=3 195 B6R0.1 COC(C)CCO 34a_100138415774_100009893172 [0,0,0,0,0,0|3,0,0]=3 196 B6R0.1 COC(C)CO[13CH3] 34a_100000690652_200025704644 [0,0,0,0,0,0|3,0,0]=3 197 B6R0.1 COC(C)SCF 62a_100009879195_100015361967 [0,0,0,0,0,0|4,0,0]=4 198 B6R0.1 COC(C)SCF 62a_100015361967_100009879195 [0,0,0,0,0,0|4,0,0]=4 199 B6R0.1 COCC(C)CN 34a_100000744482_200000210301 [0,0,0,0,0,0|2,0,1]=3 200 B6R0.1 COCC(C)OC 34a_100000690652_200000210301 [0,0,0,0,0,0|3,0,0]=3 201 B6R0.1 COCC(C)OC 34a_100138415774_100000765312 [0,0,0,0,0,0|3,0,0]=3 202 B6R0.1 COCC(C)SC 62a_100000765312_200000210301 [0,0,0,0,0,0|3,0,0]=3 203 B6R0.1 COCC(C)SC 62a_200000210301_100000765312 [0,0,0,0,0,0|3,0,0]=3 204 B6R0.1 COCC(C)S[13CH3] 62a_100000765312_200025704644 [0,0,0,0,0,0|3,0,0]=3 205 B6R0.1 COCC(C)S[13CH3] 62a_200025704644_100000765312 [0,0,0,0,0,0|3,0,0]=3 206 B6R0.1 COCC(Cl)CCl 34a_100000033668_200000210301 [0,0,0,0,0,0|3,0,1]=4 207 B6R0.1 COCC(O)CO 34a_100138415774_100011219619 [0,0,0,0,0,0|2,0,2]=4 208 B6R0.1 COC[C@@H](C)CO 34a_100138415774_100000059175 [0,0,0,0,0,0|1,0,2]=3 209 B6R0.1 COC[C@@H](C)N[13CH3] 2230a_100000764878_200025704644 [0,0,0,0,0,0|3,0,0]=3 210 B6R0.1 COC[C@@H](C)OC 34a_100011934205_200000210301 [0,0,0,0,0,0|3,0,0]=3 211 B6R0.1 COC[C@@H](C)O[13CH3] 34a_100011934205_200025704644 [0,0,0,0,0,0|3,0,0]=3 212 B6R0.1 COC[C@@H](O)CF 34a_100138415774_100015614560 [0,0,0,0,0,0|3,0,1]=4 213 B6R0.1 COC[C@@H](O)CO 34a_100138415774_100009815848 [0,0,0,0,0,0|2,0,2]=4 214 B6R0.1 COC[C@H](F)CN 34a_100015665980_200000210301 [0,0,0,0,0,0|3,0,1]=4 215 B6R0.1 CO[C@H](C)CN[13CH3] 2230a_100020591295_200025704644 [0,0,0,0,0,0|3,0,0]=3 216 B6R0.1 CSC(C)CC#N 62a_100009813641_200000210301 [0,0,0,0,0,0|3,0,1]=4 217 B6R0.1 CSC(C)CC#N 62a_200000210301_100009813641 [0,0,0,0,0,0|3,0,1]=4 218 B6R0.1 CSC(C)CCO 62a_100009893172_200000210301 [0,0,0,0,0,0|3,0,0]=3 219 B6R0.1 CSC(C)CCO 62a_200000210301_100009893172 [0,0,0,0,0,0|3,0,0]=3 220 B6R0.1 CSCC(O)CO 62a_100011219619_200000210301 [0,0,0,0,0,0|2,0,2]=4 221 B6R0.1 CSCC(O)CO 62a_200000210301_100011219619 [0,0,0,0,0,0|2,0,2]=4 222 B6R0.1 CSC[C@@H](C)CO 62a_100000059175_200000210301 [0,0,0,0,0,0|1,0,2]=3 223 B6R0.1 CSC[C@@H](C)CO 62a_200000210301_100000059175 [0,0,0,0,0,0|1,0,2]=3 224 B6R0.1 CSC[C@@H](O)CF 62a_100015614560_200000210301 [0,0,0,0,0,0|3,0,1]=4 225 B6R0.1 CSC[C@@H](O)CF 62a_200000210301_100015614560 [0,0,0,0,0,0|3,0,1]=4 226 B6R0.1 CSC[C@@H](O)CO 62a_100009815848_200000210301 [0,0,0,0,0,0|2,0,2]=4 227 B6R0.1 CSC[C@@H](O)CO 62a_200000210301_100009815848 [0,0,0,0,0,0|2,0,2]=4 228 B6R0.1 C[C@@H](CC#N)N[13CH3] 2230a_100016994482_200025704644 [0,0,0,0,0,0|3,0,1]=4 229 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_100000059175_200025704644 [0,0,0,0,0,0|1,0,2]=3 230 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_200025704644_100000059175 [0,0,0,0,0,0|1,0,2]=3 231 B6R0.1 C[C@H](CCO)N[13CH3] 2230a_100000706166_200025704644 [0,0,0,0,0,0|3,0,0]=3 232 B6R0.1 C[C@H](CCO)N[13CH3] 34a_100000706166_200025704644 [0,0,0,0,0,0|3,0,0]=3 233 B6R0.1 C[C@H](CO)SCF 62a_100015361967_100016084084 [0,0,0,0,0,0|2,0,2]=4 234 B6R0.1 C[C@H](CO)SCF 62a_100016084084_100015361967 [0,0,0,0,0,0|2,0,2]=4 235 B6R0.1 [13CH3]NC[C@@H](F)CO 34a_100015665980_200025704644 [0,0,0,0,0,0|2,0,2]=4 236 B6R0.1 [13CH3]NC[C@H](O)CO 2230a_100020644852_200025704644 [0,0,0,0,0,0|2,0,2]=4 237 B6R0.1 [13CH3]OCC(Cl)CCl 34a_100000033668_200025704644 [0,0,0,0,0,0|3,0,1]=4 238 B6R0.1 [13CH3]OC[C@H](F)CN 34a_100015665980_200025704644 [0,0,0,0,0,0|3,0,1]=4 239 B6R0.1 [13CH3]SCC(O)CO 62a_100011219619_200025704644 [0,0,0,0,0,0|2,0,2]=4 240 B6R0.1 [13CH3]SCC(O)CO 62a_200025704644_100011219619 [0,0,0,0,0,0|2,0,2]=4 241 B6R0.1 [13CH3]SC[C@@H](O)CF 62a_100015614560_200025704644 [0,0,0,0,0,0|3,0,1]=4 242 B6R0.1 [13CH3]SC[C@@H](O)CF 62a_200025704644_100015614560 [0,0,0,0,0,0|3,0,1]=4 243 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_100009815848_200025704644 [0,0,0,0,0,0|2,0,2]=4 244 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_200025704644_100009815848 [0,0,0,0,0,0|2,0,2]=4 245 B5R0.1 C#CCC(=O)C 1458a_100000070787_100000184674 [1,0,0,0,0,0|0,0,3]=4 246 B5R0.1 C#CCC(=O)C 1458a_100011220946_200000210301 [1,0,0,0,0,0|0,0,3]=4 247 B5R0.1 C#CCC(=O)[13CH3] 1458a_100011220946_200025704644 [1,0,0,0,0,0|0,0,3]=4 248 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [1,0,0,0,0,0|1,0,1]=3 249 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [1,0,0,0,0,0|1,0,1]=3 250 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [1,0,0,0,0,0|1,0,1]=3 251 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [1,0,0,0,0,0|1,0,1]=3 252 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [1,0,0,0,0,0|1,0,1]=3 253 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [1,0,0,0,0,0|1,0,1]=3 254 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [1,0,0,0,0,0|1,0,1]=3 255 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [1,0,0,0,0,0|1,0,1]=3 256 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [1,0,0,0,0,0|1,0,1]=3 257 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [1,0,0,0,0,0|1,0,1]=3 258 B5R0.1 C=C(F)CNC 2230a_106832991635_100009893438 [1,0,0,0,0,0|2,0,1]=4 259 B5R0.1 C=C(F)CNC 34a_100102657272_100009893438 [1,0,0,0,0,0|2,0,1]=4 260 B5R0.1 C=C(F)CNC 7a_106832991635_100000042424 [1,0,0,0,0,0|2,0,1]=4 261 B5R0.1 C=C(F)COC 34a_100138415774_100009893438 [1,0,0,0,0,0|2,0,1]=4 262 B5R0.1 C=C(F)COC 34a_200010262243_200000210301 [1,0,0,0,0,0|2,0,1]=4 263 B5R0.1 C=C(F)CO[13CH3] 34a_200010262243_200025704644 [1,0,0,0,0,0|2,0,1]=4 264 B5R0.1 C=C(F)CSC 62a_100000042424_200000210301 [1,0,0,0,0,0|2,0,1]=4 265 B5R0.1 C=C(F)CSC 62a_200000210301_100000042424 [1,0,0,0,0,0|2,0,1]=4 266 B5R0.1 C=C(F)CS[13CH3] 62a_100000042424_200025704644 [1,0,0,0,0,0|2,0,1]=4 267 B5R0.1 C=C(F)CS[13CH3] 62a_200025704644_100000042424 [1,0,0,0,0,0|2,0,1]=4 268 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [1,0,0,0,0,0|0,0,3]=4 269 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [1,0,0,0,0,0|0,0,3]=4 270 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [1,0,0,0,0,0|0,0,3]=4 271 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [1,0,0,0,0,0|0,0,3]=4 272 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [1,0,0,0,0,0|0,0,3]=4 273 B5R0.1 CC(=O)CC#N 1458a_100000070787_100011214920 [1,0,0,0,0,0|1,0,2]=4 274 B5R0.1 CC(=O)CC#N 1458a_100051588842_200000210301 [1,0,0,0,0,0|1,0,2]=4 275 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [1,0,0,0,0,0|1,0,1]=3 276 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [1,0,0,0,0,0|1,0,1]=3 277 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [1,0,0,0,0,0|1,0,1]=3 278 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [1,0,0,0,0,0|1,0,1]=3 279 B5R0.1 CC(Br)CO[13CH3] 34a_100012180447_200025704644 [1,0,0,0,0,0|2,0,0]=3 280 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [1,0,0,0,0,0|1,0,1]=3 281 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [1,0,0,0,0,0|1,0,1]=3 282 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [1,0,0,0,0,0|1,0,1]=3 283 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [1,0,0,0,0,0|1,0,1]=3 284 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [1,0,0,0,0,0|1,0,1]=3 285 B5R0.1 CC(C)NCF 34a_100138425928_100015361967 [1,0,0,0,0,0|2,0,1]=4 286 B5R0.1 CC(C)OCF 34a_100000212225_100015361967 [1,0,0,0,0,0|2,0,1]=4 287 B5R0.1 CC(C)SCF 62a_100000210206_100015361967 [1,0,0,0,0,0|2,0,1]=4 288 B5R0.1 CC(C)SCF 62a_100015361967_100000210206 [1,0,0,0,0,0|2,0,1]=4 289 B5R0.1 CC(F)CO[13CH3] 34a_100015925927_200025704644 [1,0,0,0,0,0|2,0,0]=3 290 B5R0.1 CC(O)CN[13CH3] 2230a_100000210904_200025704644 [1,0,0,0,0,0|1,0,1]=3 291 B5R0.1 CC(O)CN[13CH3] 34a_100000210904_200025704644 [1,0,0,0,0,0|1,0,1]=3 292 B5R0.1 CC(O)CS[13CH3] 62a_100011218427_200025704644 [1,0,0,0,0,0|1,0,1]=3 293 B5R0.1 CC(O)CS[13CH3] 62a_200025704644_100011218427 [1,0,0,0,0,0|1,0,1]=3 294 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [1,0,0,0,0,0|0,0,3]=4 295 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [1,0,0,0,0,0|0,0,3]=4 296 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [1,0,0,0,0,0|0,0,1]=2 297 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [1,0,0,0,0,0|0,0,1]=2 298 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [1,0,0,0,0,0|0,0,1]=2 299 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [1,0,0,0,0,0|1,0,1]=3 300 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [1,0,0,0,0,0|1,0,1]=3 301 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [1,0,0,0,0,0|1,0,1]=3 302 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [1,0,0,0,0,0|1,0,1]=3 303 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [1,0,0,0,0,0|1,0,1]=3 304 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [1,0,0,0,0,0|1,0,1]=3 305 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [1,0,0,0,0,0|1,0,1]=3 306 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [1,0,0,0,0,0|1,0,1]=3 307 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [1,0,0,0,0,0|1,0,1]=3 308 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [1,0,0,0,0,0|1,0,1]=3 309 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [1,0,0,0,0,0|1,0,1]=3 310 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [1,0,0,0,0,0|1,0,1]=3 311 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [1,0,0,0,0,0|1,0,1]=3 312 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [1,0,0,0,0,0|1,0,1]=3 313 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [1,0,0,0,0,0|1,0,1]=3 314 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [1,0,0,0,0,0|1,0,1]=3 315 B5R0.1 CN(C)CCF 2230a_100102631434_100011217306 [1,0,0,0,0,0|2,0,1]=4 316 B5R0.1 CN(C)CCF 269982a_100102631434_100011217306 [1,0,0,0,0,0|2,0,1]=4 317 B5R0.1 CN(C)CCO 2230a_100000210263_200000210301 [1,0,0,0,0,0|2,0,1]=4 318 B5R0.1 CN(C)CCO 2230a_100102631434_100000211926 [1,0,0,0,0,0|2,0,1]=4 319 B5R0.1 CN(C)CCO 269982a_100000210263_200000210301 [1,0,0,0,0,0|2,0,1]=4 320 B5R0.1 CN(C)CCO 269982a_100102631434_100000211926 [1,0,0,0,0,0|2,0,1]=4 321 B5R0.1 CN([13CH3])CCO 2230a_100000210263_200025704644 [1,0,0,0,0,0|2,0,1]=4 322 B5R0.1 CN([13CH3])CCO 269982a_100000210263_200025704644 [1,0,0,0,0,0|2,0,1]=4 323 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [1,0,0,0,0,0|2,0,1]=4 324 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [1,0,0,0,0,0|2,0,1]=4 325 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [1,0,0,0,0,0|2,0,1]=4 326 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [1,0,0,0,0,0|2,0,1]=4 327 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [1,0,0,0,0,0|2,0,1]=4 328 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [1,0,0,0,0,0|2,0,1]=4 329 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [1,0,0,0,0,0|1,0,1]=3 330 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [1,0,0,0,0,0|1,0,1]=3 331 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [1,0,0,0,0,0|1,0,1]=3 332 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [1,0,0,0,0,0|1,0,1]=3 333 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [1,0,0,0,0,0|1,0,1]=3 334 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [1,0,0,0,0,0|1,0,1]=3 335 B5R0.1 CNCC(C)O 2230a_100000210904_200000210301 [1,0,0,0,0,0|1,0,1]=3 336 B5R0.1 CNCC(C)O 2230a_106832991635_100011218427 [1,0,0,0,0,0|1,0,1]=3 337 B5R0.1 CNCC(C)O 34a_100000210904_200000210301 [1,0,0,0,0,0|1,0,1]=3 338 B5R0.1 CNCC(C)O 34a_100102657272_100011218427 [1,0,0,0,0,0|1,0,1]=3 339 B5R0.1 CNCC(C)O 7a_106832991635_100011218427 [1,0,0,0,0,0|1,0,1]=3 340 B5R0.1 CNCC(F)F 2230a_106832991635_100011934356 [1,0,0,0,0,0|3,0,0]=4 341 B5R0.1 CNCC(F)F 34a_100000765723_200000210301 [1,0,0,0,0,0|3,0,0]=4 342 B5R0.1 CNCC(F)F 34a_100102657272_100011934356 [1,0,0,0,0,0|3,0,0]=4 343 B5R0.1 CNCC(F)F 7a_106832991635_100011934356 [1,0,0,0,0,0|3,0,0]=4 344 B5R0.1 CNC[C@@H](C)O 2230a_106832991635_100009817552 [1,0,0,0,0,0|1,0,1]=3 345 B5R0.1 CNC[C@@H](C)O 34a_100102657272_100009817552 [1,0,0,0,0,0|1,0,1]=3 346 B5R0.1 CNC[C@@H](C)O 7a_106832991635_100009817552 [1,0,0,0,0,0|1,0,1]=3 347 B5R0.1 CNC[N+](=O)[O-] 34a_100102657272_100000761209 [1,0,0,0,0,0|3,0,0]=4 348 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [1,0,0,0,0,0|2,0,1]=4 349 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [1,0,0,0,0,0|1,0,1]=3 350 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [1,0,0,0,0,0|1,0,1]=3 351 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [1,0,0,0,0,0|2,0,1]=4 352 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [1,0,0,0,0,0|1,0,1]=3 353 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [1,0,0,0,0,0|2,0,1]=4 354 B5R0.1 COCC(C)Br 34a_100012180447_200000210301 [1,0,0,0,0,0|2,0,0]=3 355 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [1,0,0,0,0,0|1,0,1]=3 356 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [1,0,0,0,0,0|1,0,1]=3 357 B5R0.1 COCC(C)F 34a_100015925927_200000210301 [1,0,0,0,0,0|2,0,0]=3 358 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [1,0,0,0,0,0|1,0,1]=3 359 B5R0.1 COCC(F)F 34a_100000743014_200000210301 [1,0,0,0,0,0|3,0,0]=4 360 B5R0.1 COCC(F)F 34a_100138415774_100011934356 [1,0,0,0,0,0|3,0,0]=4 361 B5R0.1 COCN(C)C 2230a_100102631434_100000766300 [1,0,0,0,0,0|2,0,1]=4 362 B5R0.1 COCN(C)C 269982a_100102631434_100000766300 [1,0,0,0,0,0|2,0,1]=4 363 B5R0.1 COC[C@@H](C)Cl 34a_100016084084_200000210301 [1,0,0,0,0,0|2,0,0]=3 364 B5R0.1 COC[C@@H](C)N 34a_100000737577_200000210301 [1,0,0,0,0,0|2,0,0]=3 365 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [1,0,0,0,0,0|1,0,1]=3 366 B5R0.1 COC[N+](=O)[O-] 34a_100138415774_100000761209 [1,0,0,0,0,0|3,0,0]=4 367 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [1,0,0,0,0,0|1,0,1]=3 368 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [1,0,0,0,0,0|2,0,1]=4 369 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [1,0,0,0,0,0|2,0,1]=4 370 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [1,0,0,0,0,0|1,0,1]=3 371 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [1,0,0,0,0,0|2,0,1]=4 372 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [1,0,0,0,0,0|2,0,1]=4 373 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [1,0,0,0,0,0|1,0,1]=3 374 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [1,0,0,0,0,0|1,0,1]=3 375 B5R0.1 CSCC(C)O 62a_100011218427_200000210301 [1,0,0,0,0,0|1,0,1]=3 376 B5R0.1 CSCC(C)O 62a_200000210301_100011218427 [1,0,0,0,0,0|1,0,1]=3 377 B5R0.1 CSCC(F)F 62a_100011934356_200000210301 [1,0,0,0,0,0|3,0,0]=4 378 B5R0.1 CSCC(F)F 62a_200000210301_100011934356 [1,0,0,0,0,0|3,0,0]=4 379 B5R0.1 CSCN(C)C 2230a_100102631434_100011218213 [1,0,0,0,0,0|2,0,1]=4 380 B5R0.1 CSCN(C)C 269982a_100102631434_100011218213 [1,0,0,0,0,0|2,0,1]=4 381 B5R0.1 CSC[C@@H](C)O 62a_100009817552_200000210301 [1,0,0,0,0,0|1,0,1]=3 382 B5R0.1 CSC[C@@H](C)O 62a_200000210301_100009817552 [1,0,0,0,0,0|1,0,1]=3 383 B5R0.1 CSC[N+](=O)[O-] 62a_200000210301_100000761209 [1,0,0,0,0,0|3,0,0]=4 384 B5R0.1 C[C@@H](Cl)CO[13CH3] 34a_100016084084_200025704644 [1,0,0,0,0,0|2,0,0]=3 385 B5R0.1 C[C@@H](N)CO[13CH3] 34a_100000737577_200025704644 [1,0,0,0,0,0|2,0,0]=3 386 B5R0.1 C[C@@H](O)CS[13CH3] 62a_100009817552_200025704644 [1,0,0,0,0,0|1,0,1]=3 387 B5R0.1 C[C@@H](O)CS[13CH3] 62a_200025704644_100009817552 [1,0,0,0,0,0|1,0,1]=3 388 B5R0.1 [13CH3]C(=O)CC#N 1458a_100051588842_200025704644 [1,0,0,0,0,0|1,0,2]=4 389 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [1,0,0,0,0,0|1,0,1]=3 390 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [1,0,0,0,0,0|2,0,1]=4 391 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [1,0,0,0,0,0|2,0,1]=4 392 B5R0.1 [13CH3]NCC(F)F 34a_100000765723_200025704644 [1,0,0,0,0,0|3,0,0]=4 393 B5R0.1 [13CH3]OCC(F)F 34a_100000743014_200025704644 [1,0,0,0,0,0|3,0,0]=4 394 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [1,0,0,0,0,0|2,0,1]=4 395 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [1,0,0,0,0,0|2,0,1]=4 396 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [1,0,0,0,0,0|2,0,1]=4 397 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [1,0,0,0,0,0|2,0,1]=4 398 B5R0.1 [13CH3]SCC(F)F 62a_100011934356_200025704644 [1,0,0,0,0,0|3,0,0]=4 399 B5R0.1 [13CH3]SCC(F)F 62a_200025704644_100011934356 [1,0,0,0,0,0|3,0,0]=4 400 B5R0.1 [13CH3]SC[N+](=O)[O-] 62a_200025704644_100000761209 [1,0,0,0,0,0|3,0,0]=4 401 B5R0.2 C#CCCNC 2230a_106832991635_100000688953 [1,0,0,0,0,0|2,0,1]=4 402 B5R0.2 C#CCCNC 34a_100000755551_200000210301 [1,0,0,0,0,0|2,0,1]=4 403 B5R0.2 C#CCCNC 34a_100102657272_100000688953 [1,0,0,0,0,0|2,0,1]=4 404 B5R0.2 C#CCCNC 7a_106832991635_100000688953 [1,0,0,0,0,0|2,0,1]=4 405 B5R0.2 C#CCCN[13CH3] 34a_100000755551_200025704644 [1,0,0,0,0,0|2,0,1]=4 406 B5R0.2 C#CCCOC 34a_100011215631_200000210301 [1,0,0,0,0,0|2,0,1]=4 407 B5R0.2 C#CCCOC 34a_100138415774_100000688953 [1,0,0,0,0,0|2,0,1]=4 408 B5R0.2 C#CCCO[13CH3] 34a_100011215631_200025704644 [1,0,0,0,0,0|2,0,1]=4 409 B5R0.2 C#CCCSC 62a_100000688953_200000210301 [1,0,0,0,0,0|2,0,1]=4 410 B5R0.2 C#CCCSC 62a_200000210301_100000688953 [1,0,0,0,0,0|2,0,1]=4 411 B5R0.2 C#CCCS[13CH3] 62a_100000688953_200025704644 [1,0,0,0,0,0|2,0,1]=4 412 B5R0.2 C#CCCS[13CH3] 62a_200025704644_100000688953 [1,0,0,0,0,0|2,0,1]=4 413 B5R0.2 C#CCNCC 2230a_100015525214_100000038162 [1,0,0,0,0,0|2,0,1]=4 414 B5R0.2 C#CCNCC 34a_100000212058_100000210202 [1,0,0,0,0,0|2,0,1]=4 415 B5R0.2 C#CCOCC 34a_100000210247_100000210202 [1,0,0,0,0,0|2,0,1]=4 416 B5R0.2 C#CCOCC 34a_100121572206_100000184674 [1,0,0,0,0,0|2,0,1]=4 417 B5R0.2 C#CCSCC 62a_100000038162_100000210202 [1,0,0,0,0,0|2,0,1]=4 418 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [1,0,0,0,0,0|2,0,1]=4 419 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [1,0,0,0,0,0|2,0,1]=4 420 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [1,0,0,0,0,0|2,0,1]=4 421 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [1,0,0,0,0,0|2,0,1]=4 422 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [1,0,0,0,0,0|2,0,1]=4 423 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [1,0,0,0,0,0|2,0,1]=4 424 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [1,0,0,0,0,0|2,0,1]=4 425 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [1,0,0,0,0,0|2,0,1]=4 426 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [1,0,0,0,0,0|2,0,1]=4 427 B5R0.2 C=CCCNC 2230a_100015191253_200000210301 [1,0,0,0,0,0|2,0,0]=3 428 B5R0.2 C=CCCNC 2230a_106832991635_100000754431 [1,0,0,0,0,0|2,0,0]=3 429 B5R0.2 C=CCCNC 34a_100102657272_100000754431 [1,0,0,0,0,0|2,0,0]=3 430 B5R0.2 C=CCCNC 7a_106832991635_100000754431 [1,0,0,0,0,0|2,0,0]=3 431 B5R0.2 C=CCCN[13CH3] 2230a_100015191253_200025704644 [1,0,0,0,0,0|2,0,0]=3 432 B5R0.2 C=CCCOC 34a_100011205117_200000210301 [1,0,0,0,0,0|2,0,0]=3 433 B5R0.2 C=CCCOC 34a_100138415774_100000754431 [1,0,0,0,0,0|2,0,0]=3 434 B5R0.2 C=CCCO[13CH3] 34a_100011205117_200025704644 [1,0,0,0,0,0|2,0,0]=3 435 B5R0.2 C=CCCSC 62a_100000754431_200000210301 [1,0,0,0,0,0|2,0,0]=3 436 B5R0.2 C=CCCSC 62a_200000210301_100000754431 [1,0,0,0,0,0|2,0,0]=3 437 B5R0.2 C=CCCS[13CH3] 62a_100000754431_200025704644 [1,0,0,0,0,0|2,0,0]=3 438 B5R0.2 C=CCCS[13CH3] 62a_200025704644_100000754431 [1,0,0,0,0,0|2,0,0]=3 439 B5R0.2 C=CCNCC 2230a_100015525214_100000210623 [1,0,0,0,0,0|2,0,0]=3 440 B5R0.2 C=CCNCC 2230a_100020586998_100000210202 [1,0,0,0,0,0|2,0,0]=3 441 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [1,0,0,0,0,0|2,0,0]=3 442 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [1,0,0,0,0,0|2,0,0]=3 443 B5R0.2 C=CCOCF 34a_200000210373_100015361967 [1,0,0,0,0,0|3,0,0]=4 444 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [1,0,0,0,0,0|2,0,0]=3 445 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [1,0,0,0,0,0|2,0,0]=3 446 B5R0.2 C=CCSCF 62a_100000210623_100015361967 [1,0,0,0,0,0|3,0,0]=4 447 B5R0.2 C=CCSCF 62a_100015361967_100000210623 [1,0,0,0,0,0|3,0,0]=4 448 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [1,0,0,0,0,0|2,0,1]=4 449 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [1,0,0,0,0,0|2,0,1]=4 450 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [1,0,0,0,0,0|2,0,1]=4 451 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [1,0,0,0,0,0|2,0,1]=4 452 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [1,0,0,0,0,0|2,0,1]=4 453 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [1,0,0,0,0,0|2,0,1]=4 454 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [1,0,0,0,0,0|2,0,1]=4 455 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [1,0,0,0,0,0|2,0,1]=4 456 B5R0.2 CC=NNCC 4a_100000756455_200000210099 [1,0,0,0,0,0|3,0,0]=4 457 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [1,0,0,0,0,0|2,0,0]=3 458 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [1,0,0,0,0,0|2,0,0]=3 459 B5R0.2 CCCCNC 34a_100102657272_100000210210 [1,0,0,0,0,0|2,0,0]=3 460 B5R0.2 CCCCNC 7a_106832991635_100000210211 [1,0,0,0,0,0|2,0,0]=3 461 B5R0.2 CCCCNC 7a_106832991798_200000210301 [1,0,0,0,0,0|2,0,0]=3 462 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [1,0,0,0,0,0|2,0,0]=3 463 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [1,0,0,0,0,0|2,0,0]=3 464 B5R0.2 CCCCOC 34a_100000210227_200000210301 [1,0,0,0,0,0|2,0,0]=3 465 B5R0.2 CCCCOC 34a_100138415774_100000210210 [1,0,0,0,0,0|2,0,0]=3 466 B5R0.2 CCCCOC 7a_100000210227_200000210301 [1,0,0,0,0,0|2,0,0]=3 467 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [1,0,0,0,0,0|2,0,0]=3 468 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [1,0,0,0,0,0|2,0,0]=3 469 B5R0.2 CCCCSC 62a_100000210211_200000210301 [1,0,0,0,0,0|2,0,0]=3 470 B5R0.2 CCCCSC 62a_200000210301_100000210210 [1,0,0,0,0,0|2,0,0]=3 471 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [1,0,0,0,0,0|2,0,0]=3 472 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [1,0,0,0,0,0|2,0,0]=3 473 B5R0.2 CCCNCC 2230a_100015525214_100000210303 [1,0,0,0,0,0|2,0,1]=4 474 B5R0.2 CCCOCC 34a_100000210258_100000210202 [1,0,0,0,0,0|2,0,1]=4 475 B5R0.2 CCCOCC 34a_100121572206_100000210303 [1,0,0,0,0,0|2,0,1]=4 476 B5R0.2 CCCOCF 34a_100000210258_100015361967 [1,0,0,0,0,0|2,0,1]=4 477 B5R0.2 CCCSCC 62a_100000210202_100000210303 [1,0,0,0,0,0|2,0,1]=4 478 B5R0.2 CCCSCC 62a_100000210303_100000210202 [1,0,0,0,0,0|2,0,1]=4 479 B5R0.2 CCCSCF 62a_100000210303_100015361967 [1,0,0,0,0,0|2,0,1]=4 480 B5R0.2 CCCSCF 62a_100015361967_100000210303 [1,0,0,0,0,0|2,0,1]=4 481 B5R0.2 CCNCC#N 2230a_100015525214_100011215382 [1,0,0,0,0,0|2,0,1]=4 482 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [1,0,0,0,0,0|1,0,0]=2 483 B5R0.2 CCNCCF 2230a_100015525214_100011217306 [1,0,0,0,0,0|2,0,1]=4 484 B5R0.2 CCNCCF 34a_100000724931_100000210202 [1,0,0,0,0,0|2,0,1]=4 485 B5R0.2 CCNCCO 2230a_100015525214_100000211926 [1,0,0,0,0,0|1,0,2]=4 486 B5R0.2 CCNCCO 2230a_100016997473_100000210202 [1,0,0,0,0,0|1,0,2]=4 487 B5R0.2 CCNCCO 34a_100016990907_100000210202 [1,0,0,0,0,0|1,0,2]=4 488 B5R0.2 CCNCOC 2230a_100015525214_100000766300 [1,0,0,0,0,0|3,0,0]=4 489 B5R0.2 CCNCSC 2230a_100015525214_100011218213 [1,0,0,0,0,0|3,0,0]=4 490 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [1,0,0,0,0,0|1,0,0]=2 491 B5R0.2 CCOCCBr 34a_100000211926_100000210202 [1,0,0,0,0,0|2,0,1]=4 492 B5R0.2 CCOCCF 34a_100121572206_100011217306 [1,0,0,0,0,0|2,0,1]=4 493 B5R0.2 CCOCCN 34a_100000210304_100000210202 [1,0,0,0,0,0|2,0,1]=4 494 B5R0.2 CCOCCO 34a_100121572206_100000211926 [1,0,0,0,0,0|1,0,2]=4 495 B5R0.2 CCOCSC 34a_100121572206_100011218213 [1,0,0,0,0,0|3,0,0]=4 496 B5R0.2 CCOCSC 62a_100000739092_200000210301 [1,0,0,0,0,0|3,0,0]=4 497 B5R0.2 CCOCSC 62a_200000210301_100000739092 [1,0,0,0,0,0|3,0,0]=4 498 B5R0.2 CCOCS[13CH3] 62a_100000739092_200025704644 [1,0,0,0,0,0|3,0,0]=4 499 B5R0.2 CCOCS[13CH3] 62a_200025704644_100000739092 [1,0,0,0,0,0|3,0,0]=4 500 B5R0.2 CCSCC#N 62a_100000210202_100011215382 [1,0,0,0,0,0|2,0,1]=4 501 B5R0.2 CCSCC#N 62a_100011215382_100000210202 [1,0,0,0,0,0|2,0,1]=4 502 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [1,0,0,0,0,0|1,0,0]=2 503 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [1,0,0,0,0,0|1,0,0]=2 504 B5R0.2 CCSCCF 62a_100000210202_100011217306 [1,0,0,0,0,0|2,0,1]=4 505 B5R0.2 CCSCCF 62a_100011217306_100000210202 [1,0,0,0,0,0|2,0,1]=4 506 B5R0.2 CCSCCO 62a_100000210202_100000211926 [1,0,0,0,0,0|1,0,2]=4 507 B5R0.2 CCSCCO 62a_100000211926_100000210202 [1,0,0,0,0,0|1,0,2]=4 508 B5R0.2 CCSCOC 62a_100000210202_100000766300 [1,0,0,0,0,0|3,0,0]=4 509 B5R0.2 CCSCOC 62a_100000766300_100000210202 [1,0,0,0,0,0|3,0,0]=4 510 B5R0.2 CCSCSC 62a_100000210202_100011218213 [1,0,0,0,0,0|3,0,0]=4 511 B5R0.2 CCSCSC 62a_100011218213_100000210202 [1,0,0,0,0,0|3,0,0]=4 512 B5R0.2 CNCCC#N 2230a_106832991635_100011215226 [1,0,0,0,0,0|2,0,1]=4 513 B5R0.2 CNCCC#N 7a_106832991635_100000184422 [1,0,0,0,0,0|2,0,1]=4 514 B5R0.2 CNCCCF 2230a_100015189416_200000210301 [1,0,0,0,0,0|2,0,1]=4 515 B5R0.2 CNCCCF 2230a_106832991635_100011934791 [1,0,0,0,0,0|2,0,1]=4 516 B5R0.2 CNCCCF 34a_100015189416_200000210301 [1,0,0,0,0,0|2,0,1]=4 517 B5R0.2 CNCCCF 34a_100102657272_100011934791 [1,0,0,0,0,0|2,0,1]=4 518 B5R0.2 CNCCCF 7a_106832991635_100011934791 [1,0,0,0,0,0|2,0,1]=4 519 B5R0.2 CNCCCO 2230a_106832991635_100000230001 [1,0,0,0,0,0|1,0,2]=4 520 B5R0.2 CNCCCO 34a_100102657272_100000230001 [1,0,0,0,0,0|1,0,2]=4 521 B5R0.2 CNCCCO 7a_106832991635_100011215043 [1,0,0,0,0,0|1,0,2]=4 522 B5R0.2 CNCCOC 2230a_100000209980_200000210301 [1,0,0,0,0,0|3,0,0]=4 523 B5R0.2 CNCCOC 2230a_106832991635_100011201679 [1,0,0,0,0,0|3,0,0]=4 524 B5R0.2 CNCCOC 34a_100102657272_100011201679 [1,0,0,0,0,0|3,0,0]=4 525 B5R0.2 CNCCOC 7a_106832991635_100000233755 [1,0,0,0,0,0|3,0,0]=4 526 B5R0.2 CNCCSC 2230a_100020590264_200000210301 [1,0,0,0,0,0|3,0,0]=4 527 B5R0.2 CNCCSC 2230a_106832991635_100000751147 [1,0,0,0,0,0|3,0,0]=4 528 B5R0.2 CNCCSC 34a_100102657272_100000212216 [1,0,0,0,0,0|3,0,0]=4 529 B5R0.2 CNCCSC 7a_106832991635_100000212216 [1,0,0,0,0,0|3,0,0]=4 530 B5R0.2 COCCCBr 34a_100011217188_200000210301 [1,0,0,0,0,0|2,0,1]=4 531 B5R0.2 COCCCCl 34a_100000230001_200000210301 [1,0,0,0,0,0|2,0,1]=4 532 B5R0.2 COCCCF 34a_100000759539_200000210301 [1,0,0,0,0,0|2,0,1]=4 533 B5R0.2 COCCCF 34a_100138415774_100011934791 [1,0,0,0,0,0|2,0,1]=4 534 B5R0.2 COCCCN 34a_100000182051_200000210301 [1,0,0,0,0,0|2,0,1]=4 535 B5R0.2 COCCCO 34a_100138415774_100000230001 [1,0,0,0,0,0|1,0,2]=4 536 B5R0.2 COCCN[13CH3] 2230a_100000209980_200025704644 [1,0,0,0,0,0|3,0,0]=4 537 B5R0.2 COCCOC 34a_100000210237_200000210301 [1,0,0,0,0,0|3,0,0]=4 538 B5R0.2 COCCOC 34a_100138415774_100011201679 [1,0,0,0,0,0|3,0,0]=4 539 B5R0.2 COCCON 34a_100000700252_200000210301 [1,0,0,0,0,0|3,0,0]=4 540 B5R0.2 COCCO[13CH3] 34a_100000210237_200025704644 [1,0,0,0,0,0|3,0,0]=4 541 B5R0.2 COCCSC 34a_100000230434_200000210301 [1,0,0,0,0,0|3,0,0]=4 542 B5R0.2 COCCSC 34a_100138415774_100000212216 [1,0,0,0,0,0|3,0,0]=4 543 B5R0.2 COCCSC 62a_100000233755_200000210301 [1,0,0,0,0,0|3,0,0]=4 544 B5R0.2 COCCSC 62a_200000210301_100000233755 [1,0,0,0,0,0|3,0,0]=4 545 B5R0.2 COCCSC 7a_100000230434_200000210301 [1,0,0,0,0,0|3,0,0]=4 546 B5R0.2 COCCS[13CH3] 62a_100000233755_200025704644 [1,0,0,0,0,0|3,0,0]=4 547 B5R0.2 COCCS[13CH3] 62a_200025704644_100000233755 [1,0,0,0,0,0|3,0,0]=4 548 B5R0.2 CSCCC#N 62a_100011215226_200000210301 [1,0,0,0,0,0|2,0,1]=4 549 B5R0.2 CSCCC#N 62a_200000210301_100011215226 [1,0,0,0,0,0|2,0,1]=4 550 B5R0.2 CSCCCF 62a_100011934791_200000210301 [1,0,0,0,0,0|2,0,1]=4 551 B5R0.2 CSCCCF 62a_200000210301_100011934791 [1,0,0,0,0,0|2,0,1]=4 552 B5R0.2 CSCCCO 62a_100011215043_200000210301 [1,0,0,0,0,0|1,0,2]=4 553 B5R0.2 CSCCCO 62a_200000210301_100011215043 [1,0,0,0,0,0|1,0,2]=4 554 B5R0.2 CSCCN[13CH3] 2230a_100020590264_200025704644 [1,0,0,0,0,0|3,0,0]=4 555 B5R0.2 CSCCO[13CH3] 34a_100000230434_200025704644 [1,0,0,0,0,0|3,0,0]=4 556 B5R0.2 CSCCO[13CH3] 7a_100000230434_200025704644 [1,0,0,0,0,0|3,0,0]=4 557 B5R0.2 CSCCSC 62a_100000212216_200000210301 [1,0,0,0,0,0|3,0,0]=4 558 B5R0.2 CSCCSC 62a_200000210301_100000751147 [1,0,0,0,0,0|3,0,0]=4 559 B5R0.2 CSCCS[13CH3] 62a_100000212216_200025704644 [1,0,0,0,0,0|3,0,0]=4 560 B5R0.2 CSCCS[13CH3] 62a_200025704644_100000751147 [1,0,0,0,0,0|3,0,0]=4 561 B5R0.2 O=CCSCF 62a_100015361967_200015260668 [1,0,0,0,0,0|2,0,0]=3 562 B5R0.2 O=CCSCF 62a_200015260668_100015361967 [1,0,0,0,0,0|2,0,0]=3 563 B5R0.2 [13CH3]NCCCF 2230a_100015189416_200025704644 [1,0,0,0,0,0|2,0,1]=4 564 B5R0.2 [13CH3]NCCCF 34a_100015189416_200025704644 [1,0,0,0,0,0|2,0,1]=4 565 B5R0.2 [13CH3]OCCCBr 34a_100011217188_200025704644 [1,0,0,0,0,0|2,0,1]=4 566 B5R0.2 [13CH3]OCCCCl 34a_100000230001_200025704644 [1,0,0,0,0,0|2,0,1]=4 567 B5R0.2 [13CH3]OCCCF 34a_100000759539_200025704644 [1,0,0,0,0,0|2,0,1]=4 568 B5R0.2 [13CH3]OCCCN 34a_100000182051_200025704644 [1,0,0,0,0,0|2,0,1]=4 569 B5R0.2 [13CH3]OCCON 34a_100000700252_200025704644 [1,0,0,0,0,0|3,0,0]=4 570 B5R0.2 [13CH3]SCCC#N 62a_100011215226_200025704644 [1,0,0,0,0,0|2,0,1]=4 571 B5R0.2 [13CH3]SCCC#N 62a_200025704644_100011215226 [1,0,0,0,0,0|2,0,1]=4 572 B5R0.2 [13CH3]SCCCF 62a_100011934791_200025704644 [1,0,0,0,0,0|2,0,1]=4 573 B5R0.2 [13CH3]SCCCF 62a_200025704644_100011934791 [1,0,0,0,0,0|2,0,1]=4 574 B5R0.2 [13CH3]SCCCO 62a_100011215043_200025704644 [1,0,0,0,0,0|1,0,2]=4 575 B5R0.2 [13CH3]SCCCO 62a_200025704644_100011215043 [1,0,0,0,0,0|1,0,2]=4 576 B5R0.3 C#CC(C)NC 2230a_100000707721_200000210301 [1,0,0,0,0,0|2,0,1]=4 577 B5R0.3 C#CC(C)NC 34a_100000707721_200000210301 [1,0,0,0,0,0|2,0,1]=4 578 B5R0.3 C#CC(C)NC 34a_100102657272_200000035995 [1,0,0,0,0,0|2,0,1]=4 579 B5R0.3 C#CC(C)N[13CH3] 2230a_100000707721_200025704644 [1,0,0,0,0,0|2,0,1]=4 580 B5R0.3 C#CC(C)N[13CH3] 34a_100000707721_200025704644 [1,0,0,0,0,0|2,0,1]=4 581 B5R0.3 C#CC(C)OC 34a_100138415774_200000035995 [1,0,0,0,0,0|2,0,1]=4 582 B5R0.3 C#CC(C)SC 62a_200000035995_200000210301 [1,0,0,0,0,0|2,0,1]=4 583 B5R0.3 C#CC(C)S[13CH3] 62a_200000035995_200025704644 [1,0,0,0,0,0|2,0,1]=4 584 B5R0.3 C#C[C@@H](C)OC 34a_100009815206_200000210301 [1,0,0,0,0,0|2,0,1]=4 585 B5R0.3 C#C[C@@H](C)OC 7a_100009815206_200000210301 [1,0,0,0,0,0|2,0,1]=4 586 B5R0.3 C#C[C@@H](C)O[13CH3] 34a_100009815206_200025704644 [1,0,0,0,0,0|2,0,1]=4 587 B5R0.3 C#C[C@@H](C)O[13CH3] 7a_100009815206_200025704644 [1,0,0,0,0,0|2,0,1]=4 588 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [1,0,0,0,0,0|2,0,1]=4 589 B5R0.3 C=CC(C)OC 34a_100000695699_200000210301 [1,0,0,0,0,0|2,0,0]=3 590 B5R0.3 C=CC(C)O[13CH3] 34a_100000695699_200025704644 [1,0,0,0,0,0|2,0,0]=3 591 B5R0.3 C=CC(C)SC 62a_100011215867_200000210301 [1,0,0,0,0,0|2,0,0]=3 592 B5R0.3 C=CC(C)S[13CH3] 62a_100011215867_200025704644 [1,0,0,0,0,0|2,0,0]=3 593 B5R0.3 CC(C#N)N[13CH3] 2230a_100000737613_200025704644 [1,0,0,0,0,0|2,0,1]=4 594 B5R0.3 CC(C#N)O[13CH3] 34a_100011218135_200025704644 [1,0,0,0,0,0|2,0,1]=4 595 B5R0.3 CC(C#N)S[13CH3] 62a_100000703298_200025704644 [1,0,0,0,0,0|2,0,1]=4 596 B5R0.3 CC(C#N)S[13CH3] 62a_200025704644_100000703298 [1,0,0,0,0,0|2,0,1]=4 597 B5R0.3 CC(CF)O[13CH3] 34a_100016041109_200025704644 [1,0,0,0,0,0|2,0,1]=4 598 B5R0.3 CC(CF)O[13CH3] 7a_100016041109_200025704644 [1,0,0,0,0,0|2,0,1]=4 599 B5R0.3 CC(CN)O[13CH3] 34a_100000210904_200025704644 [1,0,0,0,0,0|2,0,1]=4 600 B5R0.3 CC(CO)S[13CH3] 62a_100012180447_200025704644 [1,0,0,0,0,0|1,0,2]=4 601 B5R0.3 CCC(C)NC 2230a_100000209981_200000210301 [1,0,0,0,0,0|2,0,0]=3 602 B5R0.3 CCC(C)NC 2230a_106832991635_100000758301 [1,0,0,0,0,0|2,0,0]=3 603 B5R0.3 CCC(C)NC 34a_100102657272_100011215416 [1,0,0,0,0,0|2,0,0]=3 604 B5R0.3 CCC(C)NC 7a_106832991635_100000758301 [1,0,0,0,0,0|2,0,0]=3 605 B5R0.3 CCC(C)N[13CH3] 2230a_100000209981_200025704644 [1,0,0,0,0,0|2,0,0]=3 606 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [1,0,0,0,0,0|2,0,0]=3 607 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [1,0,0,0,0,0|2,0,0]=3 608 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [1,0,0,0,0,0|2,0,0]=3 609 B5R0.3 CCC(C)SC 62a_100000758301_200000210301 [1,0,0,0,0,0|2,0,0]=3 610 B5R0.3 CCC(C)SC 62a_200000210301_100000758301 [1,0,0,0,0,0|2,0,0]=3 611 B5R0.3 CCC(C)S[13CH3] 62a_100000758301_200025704644 [1,0,0,0,0,0|2,0,0]=3 612 B5R0.3 CCC(C)S[13CH3] 62a_200025704644_100000758301 [1,0,0,0,0,0|2,0,0]=3 613 B5R0.3 CCN(C)CC 2230a_100000225621_100000210202 [1,0,0,0,0,0|2,0,1]=4 614 B5R0.3 CCN(C)CC 2230a_100000724800_200000210301 [1,0,0,0,0,0|2,0,1]=4 615 B5R0.3 CCN(C)CC 269956a_100000042499_200000210301 [1,0,0,0,0,0|2,0,1]=4 616 B5R0.3 CCN(C)CC 269982a_100000225621_100000204670 [1,0,0,0,0,0|2,0,1]=4 617 B5R0.3 CCN(C)CC 269982a_100000724800_200000210301 [1,0,0,0,0,0|2,0,1]=4 618 B5R0.3 CCN(C)CF 269982a_100000225621_100015361967 [1,0,0,0,0,0|2,0,1]=4 619 B5R0.3 CCN([13CH3])CC 2230a_100000724800_200025704644 [1,0,0,0,0,0|2,0,1]=4 620 B5R0.3 CCN([13CH3])CC 269956a_100000042499_200025704644 [1,0,0,0,0,0|2,0,1]=4 621 B5R0.3 CCN([13CH3])CC 269982a_100000724800_200025704644 [1,0,0,0,0,0|2,0,1]=4 622 B5R0.3 CNC(C)C#N 2230a_100000737613_200000210301 [1,0,0,0,0,0|2,0,1]=4 623 B5R0.3 CNC(C)C#N 2230a_106832991635_100000184139 [1,0,0,0,0,0|2,0,1]=4 624 B5R0.3 CNC(C)C#N 7a_106832991635_100000703298 [1,0,0,0,0,0|2,0,1]=4 625 B5R0.3 CNC(C)CO 2230a_106832991635_100012180447 [1,0,0,0,0,0|1,0,2]=4 626 B5R0.3 CNC(C)CO 34a_100102657272_100012180447 [1,0,0,0,0,0|1,0,2]=4 627 B5R0.3 CNC(C)CO 7a_106832991635_100012180447 [1,0,0,0,0,0|1,0,2]=4 628 B5R0.3 CN[C@H](C)CO 2230a_100000737577_200000210301 [1,0,0,0,0,0|1,0,2]=4 629 B5R0.3 COC(C)C#N 34a_100011218135_200000210301 [1,0,0,0,0,0|2,0,1]=4 630 B5R0.3 COC(C)CF 34a_100016041109_200000210301 [1,0,0,0,0,0|2,0,1]=4 631 B5R0.3 COC(C)CF 7a_100016041109_200000210301 [1,0,0,0,0,0|2,0,1]=4 632 B5R0.3 COC(C)CN 34a_100000210904_200000210301 [1,0,0,0,0,0|2,0,1]=4 633 B5R0.3 COC(C)CO 34a_100138415774_100012180447 [1,0,0,0,0,0|1,0,2]=4 634 B5R0.3 COC(C)SC 62a_100009879195_200000210301 [1,0,0,0,0,0|3,0,0]=4 635 B5R0.3 COC(C)SC 62a_200000210301_100009879195 [1,0,0,0,0,0|3,0,0]=4 636 B5R0.3 COC(C)S[13CH3] 62a_100009879195_200025704644 [1,0,0,0,0,0|3,0,0]=4 637 B5R0.3 COC(C)S[13CH3] 62a_200025704644_100009879195 [1,0,0,0,0,0|3,0,0]=4 638 B5R0.3 CSC(C)C#N 62a_100000703298_200000210301 [1,0,0,0,0,0|2,0,1]=4 639 B5R0.3 CSC(C)C#N 62a_200000210301_100000703298 [1,0,0,0,0,0|2,0,1]=4 640 B5R0.3 CSC(C)CO 62a_100012180447_200000210301 [1,0,0,0,0,0|1,0,2]=4 641 B5R0.3 CS[C@H](C)CO 62a_100016084084_200000210301 [1,0,0,0,0,0|1,0,2]=4 642 B5R0.3 CS[C@H](C)CO 62a_200000210301_100016084084 [1,0,0,0,0,0|1,0,2]=4 643 B5R0.3 C[C@H](CO)N[13CH3] 2230a_100000737577_200025704644 [1,0,0,0,0,0|1,0,2]=4 644 B5R0.3 C[C@H](CO)S[13CH3] 62a_100016084084_200025704644 [1,0,0,0,0,0|1,0,2]=4 645 B5R0.3 C[C@H](CO)S[13CH3] 62a_200025704644_100016084084 [1,0,0,0,0,0|1,0,2]=4 646 B7R0.2 C#CC(C)NC(C)C 2230a_100000707721_100000210206 [0,1,0,0,0,0|2,0,1]=4 647 B7R0.2 C#CC(C)NC(C)C 34a_100000707721_100000210206 [0,1,0,0,0,0|2,0,1]=4 648 B7R0.2 C#CC(C)NC(C)C 34a_100138425928_200000035995 [0,1,0,0,0,0|2,0,1]=4 649 B7R0.2 C#CC(C)OC(C)C 34a_100000212225_200000035995 [0,1,0,0,0,0|2,0,1]=4 650 B7R0.2 C#CC(C)SC(C)C 62a_200000035995_100000210206 [0,1,0,0,0,0|2,0,1]=4 651 B7R0.2 C#C[C@@H](C)OC(C)C 34a_100009815206_100000210206 [0,1,0,0,0,0|2,0,1]=4 652 B7R0.2 C#C[C@@H](C)OC(C)C 7a_100009815206_100000210206 [0,1,0,0,0,0|2,0,1]=4 653 B7R0.2 C=CC(=O)CC(C)C 1458a_100000185746_100000210624 [0,1,0,0,0,0|2,0,1]=4 654 B7R0.2 C=CC(=O)CC(C)O 1458a_100000185746_100011218427 [0,1,0,0,0,0|2,0,1]=4 655 B7R0.2 C=CC(C)CC(=O)C 1458a_100011934298_200000210301 [0,1,0,0,0,0|1,0,1]=3 656 B7R0.2 C=CC(C)CC(=O)[13CH3] 1458a_100011934298_200025704644 [0,1,0,0,0,0|1,0,1]=3 657 B7R0.2 C=CC(C)OC(C)C 34a_100000695699_100000210206 [0,1,0,0,0,0|2,0,0]=3 658 B7R0.2 C=CC(C)SC(C)C 62a_100011215867_100000210206 [0,1,0,0,0,0|2,0,0]=3 659 B7R0.2 C=CC(O)CN(C)C 2230a_100102631434_100000730141 [0,1,0,0,0,0|3,0,0]=4 660 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [0,1,0,0,0,0|0,0,3]=4 661 B7R0.2 CC(C)CC(C)N[13CH3] 2230a_100000692259_200025704644 [0,1,0,0,0,0|2,0,0]=3 662 B7R0.2 CC(C)CC(C)O[13CH3] 34a_100000211805_200025704644 [0,1,0,0,0,0|2,0,0]=3 663 B7R0.2 CC(C)CC(C)O[13CH3] 7a_100000211805_200025704644 [0,1,0,0,0,0|2,0,0]=3 664 B7R0.2 CC(C)CC(C)S[13CH3] 62a_100000731052_200025704644 [0,1,0,0,0,0|2,0,0]=3 665 B7R0.2 CC(C)CC(C)S[13CH3] 62a_200025704644_100000731052 [0,1,0,0,0,0|2,0,0]=3 666 B7R0.2 CC(C)CN(C)CF 269982a_100000747067_100015361967 [0,1,0,0,0,0|2,0,1]=4 667 B7R0.2 CC(C)NC(C)C#N 2230a_100000737613_100000210206 [0,1,0,0,0,0|2,0,1]=4 668 B7R0.2 CC(C)NC(C)C#N 2230a_100138425928_100000184139 [0,1,0,0,0,0|2,0,1]=4 669 B7R0.2 CC(C)NC(C)CO 2230a_100138425928_100012180447 [0,1,0,0,0,0|1,0,2]=4 670 B7R0.2 CC(C)NC(C)CO 34a_100138425928_100012180447 [0,1,0,0,0,0|1,0,2]=4 671 B7R0.2 CC(C)N[C@H](C)CO 2230a_100000737577_100000210206 [0,1,0,0,0,0|1,0,2]=4 672 B7R0.2 CC(C)OC(C)C#N 34a_100011218135_100000210206 [0,1,0,0,0,0|2,0,1]=4 673 B7R0.2 CC(C)OC(C)CF 34a_100016041109_100000210206 [0,1,0,0,0,0|2,0,1]=4 674 B7R0.2 CC(C)OC(C)CF 7a_100016041109_100000210206 [0,1,0,0,0,0|2,0,1]=4 675 B7R0.2 CC(C)OC(C)CN 34a_100000210904_100000210206 [0,1,0,0,0,0|2,0,1]=4 676 B7R0.2 CC(C)OC(C)CO 34a_100000212225_100012180447 [0,1,0,0,0,0|1,0,2]=4 677 B7R0.2 CC(C)SC(C)C#N 62a_100000210206_100000703298 [0,1,0,0,0,0|2,0,1]=4 678 B7R0.2 CC(C)SC(C)C#N 62a_100000703298_100000210206 [0,1,0,0,0,0|2,0,1]=4 679 B7R0.2 CC(C)SC(C)CO 62a_100012180447_100000210206 [0,1,0,0,0,0|1,0,2]=4 680 B7R0.2 CC(C)S[C@H](C)CO 62a_100000210206_100016084084 [0,1,0,0,0,0|1,0,2]=4 681 B7R0.2 CC(C)S[C@H](C)CO 62a_100016084084_100000210206 [0,1,0,0,0,0|1,0,2]=4 682 B7R0.2 CC(CN(C)C)S[13CH3] 62a_100020606517_200025704644 [0,1,0,0,0,0|3,0,0]=4 683 B7R0.2 CC(CN(C)C)S[13CH3] 62a_200025704644_100020606517 [0,1,0,0,0,0|3,0,0]=4 684 B7R0.2 CC(O)CN(C)CF 269982a_100000227577_100015361967 [0,1,0,0,0,0|2,0,1]=4 685 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [0,1,0,0,0,0|1,0,2]=4 686 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [0,1,0,0,0,0|1,0,2]=4 687 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [0,1,0,0,0,0|1,0,2]=4 688 B7R0.2 CCC(C)CN(C)C 2230a_100000753921_200000210301 [0,1,0,0,0,0|2,0,1]=4 689 B7R0.2 CCC(C)CN(C)C 2230a_100102631434_100000748023 [0,1,0,0,0,0|2,0,1]=4 690 B7R0.2 CCC(C)CN(C)C 269982a_100000753921_200000210301 [0,1,0,0,0,0|2,0,1]=4 691 B7R0.2 CCC(C)CN(C)C 269982a_100102631434_100000748023 [0,1,0,0,0,0|2,0,1]=4 692 B7R0.2 CCC(C)CN(C)C 270004a_100102631434_100000243153 [0,1,0,0,0,0|2,0,1]=4 693 B7R0.2 CCC(C)CN(C)[13CH3] 2230a_100000753921_200025704644 [0,1,0,0,0,0|2,0,1]=4 694 B7R0.2 CCC(C)CN(C)[13CH3] 269982a_100000753921_200025704644 [0,1,0,0,0,0|2,0,1]=4 695 B7R0.2 CCC(C)NC(C)C 2230a_100000209981_100000210206 [0,1,0,0,0,0|2,0,1]=4 696 B7R0.2 CCC(C)NC(C)C 2230a_100138425928_100000758301 [0,1,0,0,0,0|2,0,1]=4 697 B7R0.2 CCC(C)NC(C)C 34a_100138425928_100011215416 [0,1,0,0,0,0|2,0,1]=4 698 B7R0.2 CCC(C)OC(C)C 34a_100000212225_100011215416 [0,1,0,0,0,0|2,0,1]=4 699 B7R0.2 CCC(C)OC(C)C 7a_100000210228_100000210206 [0,1,0,0,0,0|2,0,1]=4 700 B7R0.2 CCC(C)SC(C)C 62a_100000210206_100000758301 [0,1,0,0,0,0|2,0,1]=4 701 B7R0.2 CCC(C)SC(C)C 62a_100000758301_100000210206 [0,1,0,0,0,0|2,0,1]=4 702 B7R0.2 CCN(C)CC(C)C 2230a_100000225621_100000210760 [0,1,0,0,0,0|2,0,1]=4 703 B7R0.2 CCN(C)CC(C)C 2230a_100000738554_200000210301 [0,1,0,0,0,0|2,0,1]=4 704 B7R0.2 CCN(C)CC(C)C 2230a_100000747067_100000210202 [0,1,0,0,0,0|2,0,1]=4 705 B7R0.2 CCN(C)CC(C)C 269982a_100000225621_100000210624 [0,1,0,0,0,0|2,0,1]=4 706 B7R0.2 CCN(C)CC(C)C 269982a_100000738554_200000210301 [0,1,0,0,0,0|2,0,1]=4 707 B7R0.2 CCN(C)CC(C)C 269982a_100000747067_100000204670 [0,1,0,0,0,0|2,0,1]=4 708 B7R0.2 CCN(C)CC(C)O 2230a_100000225621_100011218427 [0,1,0,0,0,0|2,0,1]=4 709 B7R0.2 CCN(C)CC(C)O 2230a_100000227577_100000210202 [0,1,0,0,0,0|2,0,1]=4 710 B7R0.2 CCN(C)CC(C)O 269982a_100000225621_100011218427 [0,1,0,0,0,0|2,0,1]=4 711 B7R0.2 CCN(C)CC(C)O 269982a_100000227577_100000204670 [0,1,0,0,0,0|2,0,1]=4 712 B7R0.2 CCN(C)C[C@@H](C)O 2230a_100000225621_100009817552 [0,1,0,0,0,0|2,0,1]=4 713 B7R0.2 CCN(C)C[C@@H](C)O 269982a_100000225621_100009817552 [0,1,0,0,0,0|2,0,1]=4 714 B7R0.2 CCN(C)C[C@H](C)O 2230a_100000729506_200000210301 [0,1,0,0,0,0|2,0,1]=4 715 B7R0.2 CCN(C)C[C@H](C)O 269982a_100000729506_200000210301 [0,1,0,0,0,0|2,0,1]=4 716 B7R0.2 CCN([13CH3])CC(C)C 2230a_100000738554_200025704644 [0,1,0,0,0,0|2,0,1]=4 717 B7R0.2 CCN([13CH3])CC(C)C 269982a_100000738554_200025704644 [0,1,0,0,0,0|2,0,1]=4 718 B7R0.2 CCN([13CH3])C[C@H](C)O 2230a_100000729506_200025704644 [0,1,0,0,0,0|2,0,1]=4 719 B7R0.2 CCN([13CH3])C[C@H](C)O 269982a_100000729506_200025704644 [0,1,0,0,0,0|2,0,1]=4 720 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [0,1,0,0,0,0|1,0,2]=4 721 B7R0.2 CC[C@H](C)CN(C)C 2230a_100102631434_100009816398 [0,1,0,0,0,0|2,0,1]=4 722 B7R0.2 CC[C@H](C)CN(C)C 269982a_100102631434_100009816398 [0,1,0,0,0,0|2,0,1]=4 723 B7R0.2 CNC(C)CC(C)C 2230a_100000692259_200000210301 [0,1,0,0,0,0|2,0,0]=3 724 B7R0.2 CNC(C)CC(C)C 2230a_106832991635_100000731052 [0,1,0,0,0,0|2,0,0]=3 725 B7R0.2 CNC(C)CC(C)C 34a_100102657272_100000731052 [0,1,0,0,0,0|2,0,0]=3 726 B7R0.2 CNC(C)CC(C)C 7a_106832991635_100000731052 [0,1,0,0,0,0|2,0,0]=3 727 B7R0.2 COC(C)CC(C)C 34a_100000211805_200000210301 [0,1,0,0,0,0|2,0,0]=3 728 B7R0.2 COC(C)CC(C)C 34a_100138415774_100000731052 [0,1,0,0,0,0|2,0,0]=3 729 B7R0.2 COC(C)CC(C)C 7a_100000211805_200000210301 [0,1,0,0,0,0|2,0,0]=3 730 B7R0.2 COC(C)SC(C)C 62a_100000210206_100009879195 [0,1,0,0,0,0|3,0,0]=4 731 B7R0.2 COC(C)SC(C)C 62a_100009879195_100000210206 [0,1,0,0,0,0|3,0,0]=4 732 B7R0.2 CSC(C)CC(C)C 62a_100000731052_200000210301 [0,1,0,0,0,0|2,0,0]=3 733 B7R0.2 CSC(C)CC(C)C 62a_200000210301_100000731052 [0,1,0,0,0,0|2,0,0]=3 734 B7R0.2 CSC(C)CN(C)C 62a_100020606517_200000210301 [0,1,0,0,0,0|3,0,0]=4 735 B7R0.2 CSC(C)CN(C)C 62a_200000210301_100020606517 [0,1,0,0,0,0|3,0,0]=4 736 B7R0.2 C[C@@H](CO)CN(C)C 2230a_100102631434_100000059175 [0,1,0,0,0,0|1,0,2]=4 737 B7R0.2 C[C@@H](CO)CN(C)C 269982a_100102631434_100000059175 [0,1,0,0,0,0|1,0,2]=4 738 B7R0.3 C#CC(C)NCCC 2230a_100000707721_100000210303 [0,1,0,0,0,0|1,0,1]=3 739 B7R0.3 C#CC(C)NCCC 34a_100000707721_100000210303 [0,1,0,0,0,0|1,0,1]=3 740 B7R0.3 C#CC(C)NCCF 2230a_100000707721_100011217306 [0,1,0,0,0,0|2,0,1]=4 741 B7R0.3 C#CC(C)NCCF 34a_100000707721_100011217306 [0,1,0,0,0,0|2,0,1]=4 742 B7R0.3 C#CC(C)NCCF 34a_100000724931_200000035995 [0,1,0,0,0,0|2,0,1]=4 743 B7R0.3 C#CC(C)NCCO 2230a_100000707721_100000211926 [0,1,0,0,0,0|2,0,1]=4 744 B7R0.3 C#CC(C)NCCO 34a_100000707721_100000211926 [0,1,0,0,0,0|2,0,1]=4 745 B7R0.3 C#CC(C)NCCO 34a_100016990907_200000035995 [0,1,0,0,0,0|2,0,1]=4 746 B7R0.3 C#CC(C)NCOC 2230a_100000707721_100000766300 [0,1,0,0,0,0|2,0,1]=4 747 B7R0.3 C#CC(C)NCSC 2230a_100000707721_100011218213 [0,1,0,0,0,0|2,0,1]=4 748 B7R0.3 C#CC(C)NCSC 34a_100000707721_100011218213 [0,1,0,0,0,0|2,0,1]=4 749 B7R0.3 C#CC(C)OCCBr 34a_100000211926_200000035995 [0,1,0,0,0,0|2,0,1]=4 750 B7R0.3 C#CC(C)OCCC 34a_100000210258_200000035995 [0,1,0,0,0,0|1,0,1]=3 751 B7R0.3 C#CC(C)OCCN 34a_100000210304_200000035995 [0,1,0,0,0,0|2,0,1]=4 752 B7R0.3 C#CC(C)SCCC 62a_200000035995_100000210303 [0,1,0,0,0,0|1,0,1]=3 753 B7R0.3 C#CC(C)SCCF 62a_200000035995_100011217306 [0,1,0,0,0,0|2,0,1]=4 754 B7R0.3 C#CC(C)SCCO 62a_200000035995_100000211926 [0,1,0,0,0,0|2,0,1]=4 755 B7R0.3 C#CC(C)SCOC 62a_200000035995_100000766300 [0,1,0,0,0,0|2,0,1]=4 756 B7R0.3 C#CC(C)SCSC 62a_200000035995_100011218213 [0,1,0,0,0,0|2,0,1]=4 757 B7R0.3 C#CCOC(C)C=C 34a_100000695699_100000184674 [0,1,0,0,0,0|1,0,2]=4 758 B7R0.3 C#C[C@@H](C)OCCC 34a_100009815206_100000210303 [0,1,0,0,0,0|1,0,1]=3 759 B7R0.3 C#C[C@@H](C)OCCC 7a_100009815206_100000210303 [0,1,0,0,0,0|1,0,1]=3 760 B7R0.3 C#C[C@@H](C)OCCF 34a_100009815206_100011217306 [0,1,0,0,0,0|2,0,1]=4 761 B7R0.3 C#C[C@@H](C)OCCF 7a_100009815206_100011217306 [0,1,0,0,0,0|2,0,1]=4 762 B7R0.3 C#C[C@@H](C)OCCO 34a_100009815206_100000211926 [0,1,0,0,0,0|2,0,1]=4 763 B7R0.3 C#C[C@@H](C)OCCO 7a_100009815206_100000211926 [0,1,0,0,0,0|2,0,1]=4 764 B7R0.3 C#C[C@@H](C)OCSC 34a_100009815206_100011218213 [0,1,0,0,0,0|2,0,1]=4 765 B7R0.3 C=CC(=NNCC)C 4a_100000756455_200015361842 [0,1,0,0,0,0|2,0,1]=4 766 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [0,1,0,0,0,0|2,0,1]=4 767 B7R0.3 C=CC(=O)CCCF 1458a_100000185746_100011934791 [0,1,0,0,0,0|2,0,1]=4 768 B7R0.3 C=CC(=O)CCCO 1458a_100000185746_100011215043 [0,1,0,0,0,0|2,0,1]=4 769 B7R0.3 C=CC(=O)CCOC 1458a_100000185746_100000233755 [0,1,0,0,0,0|2,0,1]=4 770 B7R0.3 C=CC(=O)CCSC 1458a_100000185746_100000751147 [0,1,0,0,0,0|2,0,1]=4 771 B7R0.3 C=CC(=O)NCCC 1626a_100020643023_100000185746 [0,1,0,0,0,0|2,0,1]=4 772 B7R0.3 C=CC(=O)NCCC 240690a_100020643023_200121576911 [0,1,0,0,0,0|2,0,1]=4 773 B7R0.3 C=CC(C)COCC 34a_100011215527_100000210202 [0,1,0,0,0,0|1,0,0]=2 774 B7R0.3 C=CC(C)COCC 7a_100011215527_100000210202 [0,1,0,0,0,0|1,0,0]=2 775 B7R0.3 C=CC(C)COCF 34a_100011215527_100015361967 [0,1,0,0,0,0|2,0,0]=3 776 B7R0.3 C=CC(C)COCF 7a_100011215527_100015361967 [0,1,0,0,0,0|2,0,0]=3 777 B7R0.3 C=CC(C)OCC=O 34a_100000695699_200009817547 [0,1,0,0,0,0|2,0,1]=4 778 B7R0.3 C=CC(C)OCCC 34a_100000695699_100000210303 [0,1,0,0,0,0|1,0,0]=2 779 B7R0.3 C=CC(C)OCCF 34a_100000695699_100011217306 [0,1,0,0,0,0|2,0,0]=3 780 B7R0.3 C=CC(C)OCCO 34a_100000695699_100000211926 [0,1,0,0,0,0|2,0,0]=3 781 B7R0.3 C=CC(C)OCSC 34a_100000695699_100011218213 [0,1,0,0,0,0|2,0,0]=3 782 B7R0.3 C=CC(C)SCC#N 62a_100011215867_100011215382 [0,1,0,0,0,0|2,0,1]=4 783 B7R0.3 C=CC(C)SCC=O 62a_100011215867_200015260668 [0,1,0,0,0,0|2,0,1]=4 784 B7R0.3 C=CC(C)SCCC 62a_100011215867_100000210303 [0,1,0,0,0,0|1,0,0]=2 785 B7R0.3 C=CC(C)SCCF 62a_100011215867_100011217306 [0,1,0,0,0,0|2,0,0]=3 786 B7R0.3 C=CC(C)SCCO 62a_100011215867_100000211926 [0,1,0,0,0,0|2,0,0]=3 787 B7R0.3 C=CC(C)SCOC 62a_100011215867_100000766300 [0,1,0,0,0,0|2,0,0]=3 788 B7R0.3 C=CC(C)SCSC 62a_100011215867_100011218213 [0,1,0,0,0,0|2,0,0]=3 789 B7R0.3 C=CC(O)CNCC 2230a_100015525214_100000730141 [0,1,0,0,0,0|2,0,0]=3 790 B7R0.3 C=CC(O)COCC 34a_100121572206_100000730141 [0,1,0,0,0,0|2,0,0]=3 791 B7R0.3 C=CC(O)CSCC 62a_100000210202_100000730141 [0,1,0,0,0,0|2,0,0]=3 792 B7R0.3 C=CC(O)CSCC 62a_100000730141_100000210202 [0,1,0,0,0,0|2,0,0]=3 793 B7R0.3 C=CC(O)CSCF 62a_100000730141_100015361967 [0,1,0,0,0,0|3,0,0]=4 794 B7R0.3 C=CC(O)CSCF 62a_100015361967_100000730141 [0,1,0,0,0,0|3,0,0]=4 795 B7R0.3 C=CCCC(C)NC 270004a_106832991635_100000762624 [0,1,0,0,0,0|2,0,1]=4 796 B7R0.3 C=CCCC(C)OC 34a_100000765329_200000210301 [0,1,0,0,0,0|2,0,1]=4 797 B7R0.3 C=CCCC(C)OC 7a_100000765329_200000210301 [0,1,0,0,0,0|2,0,1]=4 798 B7R0.3 C=CCCC(C)O[13CH3] 34a_100000765329_200025704644 [0,1,0,0,0,0|2,0,1]=4 799 B7R0.3 C=CCCC(C)O[13CH3] 7a_100000765329_200025704644 [0,1,0,0,0,0|2,0,1]=4 800 B7R0.3 C=CCOC(C)C=C 34a_100000695699_100015514636 [0,1,0,0,0,0|1,0,2]=4 801 B7R0.3 C=CCSC(C)C=C 62a_100011215867_100000210623 [0,1,0,0,0,0|1,0,2]=4 802 B7R0.3 C=C[C@H](N)COCC 34a_100016989147_100000210202 [0,1,0,0,0,0|2,0,0]=3 803 B7R0.3 C=C[C@H](N)COCF 34a_100016989147_100015361967 [0,1,0,0,0,0|3,0,0]=4 804 B7R0.3 CC(C#N)NCCF 2230a_100000737613_100011217306 [0,1,0,0,0,0|2,0,1]=4 805 B7R0.3 CC(C#N)NCCO 2230a_100000737613_100000211926 [0,1,0,0,0,0|2,0,1]=4 806 B7R0.3 CC(C#N)NCCO 2230a_100016997473_100000184139 [0,1,0,0,0,0|2,0,1]=4 807 B7R0.3 CC(C#N)OCCF 34a_100011218135_100011217306 [0,1,0,0,0,0|2,0,1]=4 808 B7R0.3 CC(C#N)OCCO 34a_100011218135_100000211926 [0,1,0,0,0,0|2,0,1]=4 809 B7R0.3 CC(C#N)SCCF 62a_100000703298_100011217306 [0,1,0,0,0,0|2,0,1]=4 810 B7R0.3 CC(C#N)SCCF 62a_100011217306_100000703298 [0,1,0,0,0,0|2,0,1]=4 811 B7R0.3 CC(C#N)SCCO 62a_100000211926_100000703298 [0,1,0,0,0,0|2,0,1]=4 812 B7R0.3 CC(C#N)SCCO 62a_100000703298_100000211926 [0,1,0,0,0,0|2,0,1]=4 813 B7R0.3 CC(CCCCl)O[13CH3] 34a_200000718107_200025704644 [0,1,0,0,0,0|2,0,0]=3 814 B7R0.3 CC(CCCCl)O[13CH3] 7a_200000718107_200025704644 [0,1,0,0,0,0|2,0,0]=3 815 B7R0.3 CC(CF)OCCF 34a_100016041109_100011217306 [0,1,0,0,0,0|2,0,1]=4 816 B7R0.3 CC(CF)OCCF 7a_100016041109_100011217306 [0,1,0,0,0,0|2,0,1]=4 817 B7R0.3 CC(CF)OCCO 34a_100016041109_100000211926 [0,1,0,0,0,0|2,0,1]=4 818 B7R0.3 CC(CF)OCCO 7a_100016041109_100000211926 [0,1,0,0,0,0|2,0,1]=4 819 B7R0.3 CC(CN)COCF 34a_100000744482_100015361967 [0,1,0,0,0,0|2,0,1]=4 820 B7R0.3 CC(CN)OCCF 34a_100000210904_100011217306 [0,1,0,0,0,0|2,0,1]=4 821 B7R0.3 CC(CN)OCCO 34a_100000210904_100000211926 [0,1,0,0,0,0|2,0,1]=4 822 B7R0.3 CC(CO)CCN[13CH3] 2230a_106354213184_200025704644 [0,1,0,0,0,0|0,0,2]=3 823 B7R0.3 CC(CO)CCN[13CH3] 34a_106354213184_200025704644 [0,1,0,0,0,0|0,0,2]=3 824 B7R0.3 CC(CO)CNCF 34a_100000744482_100015361967 [0,1,0,0,0,0|1,0,2]=4 825 B7R0.3 CC(CO)NCCF 34a_100000724931_100012180447 [0,1,0,0,0,0|1,0,2]=4 826 B7R0.3 CC(CO)NCCO 2230a_100016997473_100012180447 [0,1,0,0,0,0|1,0,2]=4 827 B7R0.3 CC(CO)NCCO 34a_100016990907_100012180447 [0,1,0,0,0,0|1,0,2]=4 828 B7R0.3 CC(CO)OCCBr 34a_100000211926_100012180447 [0,1,0,0,0,0|1,0,2]=4 829 B7R0.3 CC(CO)OCCN 34a_100000210304_100012180447 [0,1,0,0,0,0|1,0,2]=4 830 B7R0.3 CC(CO)SCCF 62a_100012180447_100011217306 [0,1,0,0,0,0|1,0,2]=4 831 B7R0.3 CC(CO)SCCO 62a_100012180447_100000211926 [0,1,0,0,0,0|1,0,2]=4 832 B7R0.3 CCC#CC(C)OC 34a_100000033903_200000210301 [0,1,0,0,0,0|2,0,1]=4 833 B7R0.3 CCC#CC(C)OC 7a_100000033903_200000210301 [0,1,0,0,0,0|2,0,1]=4 834 B7R0.3 CCC#CC(C)O[13CH3] 34a_100000033903_200025704644 [0,1,0,0,0,0|2,0,1]=4 835 B7R0.3 CCC#CC(C)O[13CH3] 7a_100000033903_200025704644 [0,1,0,0,0,0|2,0,1]=4 836 B7R0.3 CCC(C)CCNC 2230a_100020591266_200000210301 [0,1,0,0,0,0|1,0,1]=3 837 B7R0.3 CCC(C)CCN[13CH3] 2230a_100020591266_200025704644 [0,1,0,0,0,0|1,0,1]=3 838 B7R0.3 CCC(C)CCOC 7a_100011215188_200000210301 [0,1,0,0,0,0|1,0,1]=3 839 B7R0.3 CCC(C)CCO[13CH3] 7a_100011215188_200025704644 [0,1,0,0,0,0|1,0,1]=3 840 B7R0.3 CCC(C)CSCF 62a_100000748023_100015361967 [0,1,0,0,0,0|2,0,1]=4 841 B7R0.3 CCC(C)CSCF 62a_100015361967_100000748023 [0,1,0,0,0,0|2,0,1]=4 842 B7R0.3 CCC(C)NCCF 2230a_100000209981_100011217306 [0,1,0,0,0,0|2,0,1]=4 843 B7R0.3 CCC(C)NCCF 34a_100000724931_100011215416 [0,1,0,0,0,0|2,0,1]=4 844 B7R0.3 CCC(C)NCCO 2230a_100000209981_100000211926 [0,1,0,0,0,0|2,0,1]=4 845 B7R0.3 CCC(C)NCCO 2230a_100016997473_100000758301 [0,1,0,0,0,0|2,0,1]=4 846 B7R0.3 CCC(C)NCCO 34a_100016990907_100011215416 [0,1,0,0,0,0|2,0,1]=4 847 B7R0.3 CCC(C)NCOC 2230a_100000209981_100000766300 [0,1,0,0,0,0|2,0,1]=4 848 B7R0.3 CCC(C)NCSC 2230a_100000209981_100011218213 [0,1,0,0,0,0|2,0,1]=4 849 B7R0.3 CCC(C)OCCBr 34a_100000211926_100011215416 [0,1,0,0,0,0|2,0,1]=4 850 B7R0.3 CCC(C)OCCF 7a_100000210228_100011217306 [0,1,0,0,0,0|2,0,1]=4 851 B7R0.3 CCC(C)OCCN 34a_100000210304_100011215416 [0,1,0,0,0,0|2,0,1]=4 852 B7R0.3 CCC(C)OCCO 7a_100000210228_100000211926 [0,1,0,0,0,0|2,0,1]=4 853 B7R0.3 CCC(C)SCCF 62a_100000758301_100011217306 [0,1,0,0,0,0|2,0,1]=4 854 B7R0.3 CCC(C)SCCF 62a_100011217306_100000758301 [0,1,0,0,0,0|2,0,1]=4 855 B7R0.3 CCC(C)SCCO 62a_100000211926_100000758301 [0,1,0,0,0,0|2,0,1]=4 856 B7R0.3 CCC(C)SCCO 62a_100000758301_100000211926 [0,1,0,0,0,0|2,0,1]=4 857 B7R0.3 CCC(C)SCOC 62a_100000758301_100000766300 [0,1,0,0,0,0|2,0,1]=4 858 B7R0.3 CCC(C)SCOC 62a_100000766300_100000758301 [0,1,0,0,0,0|2,0,1]=4 859 B7R0.3 CCC(C)SCSC 62a_100000758301_100011218213 [0,1,0,0,0,0|2,0,1]=4 860 B7R0.3 CCC(C)SCSC 62a_100011218213_100000758301 [0,1,0,0,0,0|2,0,1]=4 861 B7R0.3 CCCCC(C)NC 2230a_100000126638_200000210301 [0,1,0,0,0,0|2,0,0]=3 862 B7R0.3 CCCCC(C)NC 2230a_106832991635_200011215066 [0,1,0,0,0,0|2,0,0]=3 863 B7R0.3 CCCCC(C)NC 270004a_106832991635_100000210087 [0,1,0,0,0,0|2,0,0]=3 864 B7R0.3 CCCCC(C)NC 34a_100102657272_200011215066 [0,1,0,0,0,0|2,0,0]=3 865 B7R0.3 CCCCC(C)NC 7a_106832991635_200011215066 [0,1,0,0,0,0|2,0,0]=3 866 B7R0.3 CCCCC(C)N[13CH3] 2230a_100000126638_200025704644 [0,1,0,0,0,0|2,0,0]=3 867 B7R0.3 CCCCC(C)OC 34a_100000687866_200000210301 [0,1,0,0,0,0|2,0,0]=3 868 B7R0.3 CCCCC(C)OC 34a_100138415774_200011215066 [0,1,0,0,0,0|2,0,0]=3 869 B7R0.3 CCCCC(C)OC 7a_100000687866_200000210301 [0,1,0,0,0,0|2,0,0]=3 870 B7R0.3 CCCCC(C)O[13CH3] 34a_100000687866_200025704644 [0,1,0,0,0,0|2,0,0]=3 871 B7R0.3 CCCCC(C)O[13CH3] 7a_100000687866_200025704644 [0,1,0,0,0,0|2,0,0]=3 872 B7R0.3 CCCCC(C)SC 62a_200000210301_200011215066 [0,1,0,0,0,0|2,0,0]=3 873 B7R0.3 CCCCC(C)SC 62a_200011215066_200000210301 [0,1,0,0,0,0|2,0,0]=3 874 B7R0.3 CCCCC(C)S[13CH3] 62a_200011215066_200025704644 [0,1,0,0,0,0|2,0,0]=3 875 B7R0.3 CCCCC(C)S[13CH3] 62a_200025704644_200011215066 [0,1,0,0,0,0|2,0,0]=3 876 B7R0.3 CCCCN(C)CC 2230a_100000207549_100000210202 [0,1,0,0,0,0|2,0,1]=4 877 B7R0.3 CCCCN(C)CC 2230a_100000207695_200000210301 [0,1,0,0,0,0|2,0,1]=4 878 B7R0.3 CCCCN(C)CC 2230a_100000225621_100000210211 [0,1,0,0,0,0|2,0,1]=4 879 B7R0.3 CCCCN(C)CC 269982a_100000207549_100000204670 [0,1,0,0,0,0|2,0,1]=4 880 B7R0.3 CCCCN(C)CC 269982a_100000207695_200000210301 [0,1,0,0,0,0|2,0,1]=4 881 B7R0.3 CCCCN(C)CC 269982a_100000225621_100000210211 [0,1,0,0,0,0|2,0,1]=4 882 B7R0.3 CCCCN(C)CF 269982a_100000207549_100015361967 [0,1,0,0,0,0|2,0,1]=4 883 B7R0.3 CCCCN([13CH3])CC 2230a_100000207695_200025704644 [0,1,0,0,0,0|2,0,1]=4 884 B7R0.3 CCCCN([13CH3])CC 269982a_100000207695_200025704644 [0,1,0,0,0,0|2,0,1]=4 885 B7R0.3 CCCNC(C)C#N 2230a_100000737613_100000210303 [0,1,0,0,0,0|1,0,1]=3 886 B7R0.3 CCCNC(C)CC 2230a_100000209981_100000210303 [0,1,0,0,0,0|1,0,1]=3 887 B7R0.3 CCCN[C@H](C)CO 2230a_100000737577_100000210303 [0,1,0,0,0,0|0,0,2]=3 888 B7R0.3 CCCOC(C)C#N 34a_100011218135_100000210303 [0,1,0,0,0,0|1,0,1]=3 889 B7R0.3 CCCOC(C)CC 34a_100000210258_100011215416 [0,1,0,0,0,0|1,0,1]=3 890 B7R0.3 CCCOC(C)CC 7a_100000210228_100000210303 [0,1,0,0,0,0|1,0,1]=3 891 B7R0.3 CCCOC(C)CF 34a_100016041109_100000210303 [0,1,0,0,0,0|1,0,1]=3 892 B7R0.3 CCCOC(C)CF 7a_100016041109_100000210303 [0,1,0,0,0,0|1,0,1]=3 893 B7R0.3 CCCOC(C)CN 34a_100000210904_100000210303 [0,1,0,0,0,0|1,0,1]=3 894 B7R0.3 CCCOC(C)CO 34a_100000210258_100012180447 [0,1,0,0,0,0|0,0,2]=3 895 B7R0.3 CCCSC(C)C#N 62a_100000210303_100000703298 [0,1,0,0,0,0|1,0,1]=3 896 B7R0.3 CCCSC(C)C#N 62a_100000703298_100000210303 [0,1,0,0,0,0|1,0,1]=3 897 B7R0.3 CCCSC(C)CC 62a_100000210303_100000758301 [0,1,0,0,0,0|1,0,1]=3 898 B7R0.3 CCCSC(C)CC 62a_100000758301_100000210303 [0,1,0,0,0,0|1,0,1]=3 899 B7R0.3 CCCSC(C)CO 62a_100012180447_100000210303 [0,1,0,0,0,0|0,0,2]=3 900 B7R0.3 CCCSC(C)OC 62a_100000210303_100009879195 [0,1,0,0,0,0|2,0,0]=3 901 B7R0.3 CCCSC(C)OC 62a_100009879195_100000210303 [0,1,0,0,0,0|2,0,0]=3 902 B7R0.3 CCCSC(F)C#N 62a_100000210303_200000117898 [0,1,0,0,0,0|2,0,1]=4 903 B7R0.3 CCCSC(F)C#N 62a_200000117898_100000210303 [0,1,0,0,0,0|2,0,1]=4 904 B7R0.3 CCCS[C@H](C)CO 62a_100000210303_100016084084 [0,1,0,0,0,0|0,0,2]=3 905 B7R0.3 CCCS[C@H](C)CO 62a_100016084084_100000210303 [0,1,0,0,0,0|0,0,2]=3 906 B7R0.3 CCN(C)CCCF 2230a_100000225621_100011934791 [0,1,0,0,0,0|2,0,1]=4 907 B7R0.3 CCN(C)CCCF 269982a_100000225621_100011934791 [0,1,0,0,0,0|2,0,1]=4 908 B7R0.3 CCN(C)CCCO 2230a_100000213112_100000210202 [0,1,0,0,0,0|2,0,1]=4 909 B7R0.3 CCN(C)CCCO 2230a_100000225621_100000230001 [0,1,0,0,0,0|2,0,1]=4 910 B7R0.3 CCN(C)CCCO 269982a_100000213112_100000204670 [0,1,0,0,0,0|2,0,1]=4 911 B7R0.3 CCN(C)CCCO 269982a_100000225621_100011215043 [0,1,0,0,0,0|2,0,1]=4 912 B7R0.3 CCN(C)CCOC 2230a_100000225621_100011201679 [0,1,0,0,0,0|2,0,1]=4 913 B7R0.3 CCN(C)CCOC 2230a_100000731262_200000210301 [0,1,0,0,0,0|2,0,1]=4 914 B7R0.3 CCN(C)CCOC 2230a_100000743101_100000210202 [0,1,0,0,0,0|2,0,1]=4 915 B7R0.3 CCN(C)CCOC 269982a_100000225621_100000233755 [0,1,0,0,0,0|2,0,1]=4 916 B7R0.3 CCN(C)CCOC 269982a_100000731262_200000210301 [0,1,0,0,0,0|2,0,1]=4 917 B7R0.3 CCN(C)CCOC 269982a_100000743101_100000204670 [0,1,0,0,0,0|2,0,1]=4 918 B7R0.3 CCN(C)CCSC 2230a_100000225621_100000751147 [0,1,0,0,0,0|2,0,1]=4 919 B7R0.3 CCN(C)CCSC 2230a_100000686725_100000210202 [0,1,0,0,0,0|2,0,1]=4 920 B7R0.3 CCN(C)CCSC 269982a_100000225621_100000212216 [0,1,0,0,0,0|2,0,1]=4 921 B7R0.3 CCN(C)CCSC 269982a_100000686725_100000204670 [0,1,0,0,0,0|2,0,1]=4 922 B7R0.3 CCN([13CH3])CCOC 2230a_100000731262_200025704644 [0,1,0,0,0,0|2,0,1]=4 923 B7R0.3 CCN([13CH3])CCOC 269982a_100000731262_200025704644 [0,1,0,0,0,0|2,0,1]=4 924 B7R0.3 CCNCC(C)CC 2230a_100015525214_100000748023 [0,1,0,0,0,0|1,0,1]=3 925 B7R0.3 CCNCC(C)CC 2230a_100020588543_100000210202 [0,1,0,0,0,0|1,0,1]=3 926 B7R0.3 CCNCC(C)CC 270004a_100015525214_100000243153 [0,1,0,0,0,0|1,0,1]=3 927 B7R0.3 CCNCC(C)CO 34a_100000744482_100000210202 [0,1,0,0,0,0|0,0,2]=3 928 B7R0.3 CCNCC(O)CC 2230a_100011218483_100000210202 [0,1,0,0,0,0|2,0,1]=4 929 B7R0.3 CCNCC(O)CC 2230a_100015525214_100011218378 [0,1,0,0,0,0|2,0,1]=4 930 B7R0.3 CCNCC(O)CO 2230a_100015525214_100011219619 [0,1,0,0,0,0|1,0,2]=4 931 B7R0.3 CCNC[C@@H](C)CC 2230a_100015525214_100009816398 [0,1,0,0,0,0|1,0,1]=3 932 B7R0.3 CCNC[C@@H](C)CO 2230a_100015525214_100000059175 [0,1,0,0,0,0|0,0,2]=3 933 B7R0.3 CCNC[C@@H](C)OC 2230a_100020591295_100000210202 [0,1,0,0,0,0|2,0,0]=3 934 B7R0.3 CCNC[C@@H](F)CO 34a_100015665980_100000210202 [0,1,0,0,0,0|1,0,2]=4 935 B7R0.3 CCNC[C@@H](O)CF 2230a_100015525214_100015614560 [0,1,0,0,0,0|2,0,1]=4 936 B7R0.3 CCNC[C@@H](O)CO 2230a_100015525214_100009815848 [0,1,0,0,0,0|1,0,2]=4 937 B7R0.3 CCNC[C@H](O)CO 2230a_100020644852_100000210202 [0,1,0,0,0,0|1,0,2]=4 938 B7R0.3 CCOCC(C)CC 34a_100121572206_100000748023 [0,1,0,0,0,0|1,0,1]=3 939 B7R0.3 CCOCC(C)CN 34a_100000744482_100000210202 [0,1,0,0,0,0|1,0,1]=3 940 B7R0.3 CCOCC(C)OC 34a_100000690652_100000210202 [0,1,0,0,0,0|2,0,0]=3 941 B7R0.3 CCOCC(C)OC 34a_100000718985_200000210301 [0,1,0,0,0,0|2,0,0]=3 942 B7R0.3 CCOCC(C)OC 7a_100000718985_200000210301 [0,1,0,0,0,0|2,0,0]=3 943 B7R0.3 CCOCC(C)O[13CH3] 34a_100000718985_200025704644 [0,1,0,0,0,0|2,0,0]=3 944 B7R0.3 CCOCC(C)O[13CH3] 7a_100000718985_200025704644 [0,1,0,0,0,0|2,0,0]=3 945 B7R0.3 CCOCC(Cl)CCl 34a_100000033668_100000210202 [0,1,0,0,0,0|2,0,1]=4 946 B7R0.3 CCOCC(O)CC 34a_100121572206_100011218378 [0,1,0,0,0,0|2,0,1]=4 947 B7R0.3 CCOCC(O)CO 34a_100121572206_100011219619 [0,1,0,0,0,0|1,0,2]=4 948 B7R0.3 CCOCN(C)CC 269982a_100000225621_100000739092 [0,1,0,0,0,0|2,0,1]=4 949 B7R0.3 CCOC[C@@H](C)CC 34a_100121572206_100009816398 [0,1,0,0,0,0|1,0,1]=3 950 B7R0.3 CCOC[C@@H](C)CC 7a_100009816381_100000210202 [0,1,0,0,0,0|1,0,1]=3 951 B7R0.3 CCOC[C@@H](C)CO 34a_100121572206_100000059175 [0,1,0,0,0,0|0,0,2]=3 952 B7R0.3 CCOC[C@@H](O)CF 34a_100121572206_100015614560 [0,1,0,0,0,0|2,0,1]=4 953 B7R0.3 CCOC[C@@H](O)CO 34a_100121572206_100009815848 [0,1,0,0,0,0|1,0,2]=4 954 B7R0.3 CCOC[C@H](F)CN 34a_100015665980_100000210202 [0,1,0,0,0,0|2,0,1]=4 955 B7R0.3 CCSCC(C)CC 62a_100000210202_100000748023 [0,1,0,0,0,0|1,0,1]=3 956 B7R0.3 CCSCC(C)CC 62a_100000748023_100000210202 [0,1,0,0,0,0|1,0,1]=3 957 B7R0.3 CCSCC(C)NC 270004a_106832991635_200011216171 [0,1,0,0,0,0|2,0,0]=3 958 B7R0.3 CCSCC(O)CC 62a_100000210202_100011218378 [0,1,0,0,0,0|2,0,1]=4 959 B7R0.3 CCSCC(O)CC 62a_100011218378_100000210202 [0,1,0,0,0,0|2,0,1]=4 960 B7R0.3 CCSCC(O)CO 62a_100000210202_100011219619 [0,1,0,0,0,0|1,0,2]=4 961 B7R0.3 CCSCC(O)CO 62a_100011219619_100000210202 [0,1,0,0,0,0|1,0,2]=4 962 B7R0.3 CCSC[C@@H](C)CC 62a_100000210202_100009816398 [0,1,0,0,0,0|1,0,1]=3 963 B7R0.3 CCSC[C@@H](C)CC 62a_100009816398_100000210202 [0,1,0,0,0,0|1,0,1]=3 964 B7R0.3 CCSC[C@@H](C)CO 62a_100000059175_100000210202 [0,1,0,0,0,0|0,0,2]=3 965 B7R0.3 CCSC[C@@H](C)CO 62a_100000210202_100000059175 [0,1,0,0,0,0|0,0,2]=3 966 B7R0.3 CCSC[C@@H](O)CF 62a_100000210202_100015614560 [0,1,0,0,0,0|2,0,1]=4 967 B7R0.3 CCSC[C@@H](O)CF 62a_100015614560_100000210202 [0,1,0,0,0,0|2,0,1]=4 968 B7R0.3 CCSC[C@@H](O)CO 62a_100000210202_100009815848 [0,1,0,0,0,0|1,0,2]=4 969 B7R0.3 CCSC[C@@H](O)CO 62a_100009815848_100000210202 [0,1,0,0,0,0|1,0,2]=4 970 B7R0.3 CC[C@H](C)COCF 7a_100009816381_100015361967 [0,1,0,0,0,0|2,0,1]=4 971 B7R0.3 CC[C@H](C)CSCF 62a_100009816398_100015361967 [0,1,0,0,0,0|2,0,1]=4 972 B7R0.3 CC[C@H](C)CSCF 62a_100015361967_100009816398 [0,1,0,0,0,0|2,0,1]=4 973 B7R0.3 CN(CF)CCCO 269982a_100000213112_100015361967 [0,1,0,0,0,0|2,0,1]=4 974 B7R0.3 CNC(C)CCOC 270004a_106832991635_100000742357 [0,1,0,0,0,0|2,0,0]=3 975 B7R0.3 CNC(C)CCSC 270004a_106832991635_100011217047 [0,1,0,0,0,0|2,0,0]=3 976 B7R0.3 CNCCC(C)CO 2230a_106354213184_200000210301 [0,1,0,0,0,0|0,0,2]=3 977 B7R0.3 CNCCC(C)CO 34a_106354213184_200000210301 [0,1,0,0,0,0|0,0,2]=3 978 B7R0.3 COC(C)CCCCl 34a_200000718107_200000210301 [0,1,0,0,0,0|2,0,0]=3 979 B7R0.3 COC(C)CCCCl 7a_200000718107_200000210301 [0,1,0,0,0,0|2,0,0]=3 980 B7R0.3 COC(C)CCO[13CH3] 7a_100000764861_200025704644 [0,1,0,0,0,0|2,0,0]=3 981 B7R0.3 COC(C)COCF 34a_100000690652_100015361967 [0,1,0,0,0,0|3,0,0]=4 982 B7R0.3 COC(C)SCCF 62a_100009879195_100011217306 [0,1,0,0,0,0|3,0,0]=4 983 B7R0.3 COC(C)SCCF 62a_100011217306_100009879195 [0,1,0,0,0,0|3,0,0]=4 984 B7R0.3 COC(C)SCCO 62a_100000211926_100009879195 [0,1,0,0,0,0|3,0,0]=4 985 B7R0.3 COC(C)SCCO 62a_100009879195_100000211926 [0,1,0,0,0,0|3,0,0]=4 986 B7R0.3 COC(C)SCSC 62a_100009879195_100011218213 [0,1,0,0,0,0|3,0,0]=4 987 B7R0.3 COC(C)SCSC 62a_100011218213_100009879195 [0,1,0,0,0,0|3,0,0]=4 988 B7R0.3 COCCC(C)OC 7a_100000764861_200000210301 [0,1,0,0,0,0|2,0,0]=3 989 B7R0.3 COCCN(C)CF 269982a_100000743101_100015361967 [0,1,0,0,0,0|2,0,1]=4 990 B7R0.3 COCNC(C)C#N 2230a_100000737613_100000766300 [0,1,0,0,0,0|2,0,1]=4 991 B7R0.3 COCN[C@H](C)CO 2230a_100000737577_100000766300 [0,1,0,0,0,0|1,0,2]=4 992 B7R0.3 COCSC(C)C#N 62a_100000703298_100000766300 [0,1,0,0,0,0|2,0,1]=4 993 B7R0.3 COCSC(C)C#N 62a_100000766300_100000703298 [0,1,0,0,0,0|2,0,1]=4 994 B7R0.3 COCSC(C)CO 62a_100012180447_100000766300 [0,1,0,0,0,0|1,0,2]=4 995 B7R0.3 COCSC(C)OC 62a_100000766300_100009879195 [0,1,0,0,0,0|3,0,0]=4 996 B7R0.3 COCSC(C)OC 62a_100009879195_100000766300 [0,1,0,0,0,0|3,0,0]=4 997 B7R0.3 COCS[C@H](C)CO 62a_100000766300_100016084084 [0,1,0,0,0,0|1,0,2]=4 998 B7R0.3 COCS[C@H](C)CO 62a_100016084084_100000766300 [0,1,0,0,0,0|1,0,2]=4 999 B7R0.3 CSCCN(C)CF 269982a_100000686725_100015361967 [0,1,0,0,0,0|2,0,1]=4 1000 B7R0.3 CSCNC(C)C#N 2230a_100000737613_100011218213 [0,1,0,0,0,0|2,0,1]=4 1001 B7R0.3 CSCN[C@H](C)CO 2230a_100000737577_100011218213 [0,1,0,0,0,0|1,0,2]=4 1002 B7R0.3 CSCOC(C)C#N 34a_100011218135_100011218213 [0,1,0,0,0,0|2,0,1]=4 1003 B7R0.3 CSCOC(C)CF 34a_100016041109_100011218213 [0,1,0,0,0,0|2,0,1]=4 1004 B7R0.3 CSCOC(C)CN 34a_100000210904_100011218213 [0,1,0,0,0,0|2,0,1]=4 1005 B7R0.3 CSCSC(C)C#N 62a_100000703298_100011218213 [0,1,0,0,0,0|2,0,1]=4 1006 B7R0.3 CSCSC(C)C#N 62a_100011218213_100000703298 [0,1,0,0,0,0|2,0,1]=4 1007 B7R0.3 CSCSC(C)CO 62a_100012180447_100011218213 [0,1,0,0,0,0|1,0,2]=4 1008 B7R0.3 CSCS[C@H](C)CO 62a_100011218213_100016084084 [0,1,0,0,0,0|1,0,2]=4 1009 B7R0.3 CSCS[C@H](C)CO 62a_100016084084_100011218213 [0,1,0,0,0,0|1,0,2]=4 1010 B7R0.3 C[C@@H](CO)CSCF 62a_100000059175_100015361967 [0,1,0,0,0,0|1,0,2]=4 1011 B7R0.3 C[C@@H](CO)CSCF 62a_100015361967_100000059175 [0,1,0,0,0,0|1,0,2]=4 1012 B7R0.3 C[C@H](CO)NCCF 2230a_100000737577_100011217306 [0,1,0,0,0,0|1,0,2]=4 1013 B7R0.3 C[C@H](CO)NCCO 2230a_100000737577_100000211926 [0,1,0,0,0,0|1,0,2]=4 1014 B7R0.3 C[C@H](CO)SCCF 62a_100011217306_100016084084 [0,1,0,0,0,0|1,0,2]=4 1015 B7R0.3 C[C@H](CO)SCCF 62a_100016084084_100011217306 [0,1,0,0,0,0|1,0,2]=4 1016 B7R0.3 C[C@H](CO)SCCO 62a_100000211926_100016084084 [0,1,0,0,0,0|1,0,2]=4 1017 B7R0.3 C[C@H](CO)SCCO 62a_100016084084_100000211926 [0,1,0,0,0,0|1,0,2]=4 1018 B7R0.5 C#CCN(C)C(=O)C 11a_100000225692_100015343762 [0,1,0,0,0,0|1,0,2]=4 1019 B7R0.5 C#CCN(C)C(=O)C 1626a_100000225692_100015343762 [0,1,0,0,0,0|1,0,2]=4 1020 B7R0.5 C#CCN(C)C(=O)C 527a_100000225692_100103153847 [0,1,0,0,0,0|1,0,2]=4 1021 B7R0.5 C=C(C)C(=O)CCC 1458a_100000185857_100000210303 [0,1,0,0,0,0|2,0,1]=4 1022 B7R0.5 C=C(C)C(C)NCC 269862a_100015525214_100011216138 [0,1,0,0,0,0|2,0,0]=3 1023 B7R0.5 C=CCC(C)C(=O)C 1458a_100011216819_200000210301 [0,1,0,0,0,0|0,0,2]=3 1024 B7R0.5 C=CCC(C)C(=O)[13CH3] 1458a_100011216819_200025704644 [0,1,0,0,0,0|0,0,2]=3 1025 B7R0.5 C=CCN(C)C(=O)C 11a_100000225617_100015343762 [0,1,0,0,0,0|1,0,2]=4 1026 B7R0.5 C=CCN(C)C(=O)C 1626a_100000225617_100015343762 [0,1,0,0,0,0|1,0,2]=4 1027 B7R0.5 C=CCN(C)C(=O)C 240690a_100000225617_100015343762 [0,1,0,0,0,0|1,0,2]=4 1028 B7R0.5 C=CCN(C)C(=O)C 527a_100000225617_100103153847 [0,1,0,0,0,0|1,0,2]=4 1029 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_100011261029_200025704644 [0,1,0,0,0,0|2,0,1]=4 1030 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_200025704644_100011261029 [0,1,0,0,0,0|2,0,1]=4 1031 B7R0.5 CC(=O)C(C)CC#N 1458a_100000070787_100009813641 [0,1,0,0,0,0|1,0,1]=3 1032 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [0,1,0,0,0,0|1,0,0]=2 1033 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [0,1,0,0,0,0|1,0,0]=2 1034 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [0,1,0,0,0,0|1,0,0]=2 1035 B7R0.5 CC(=O)C(C)OCF 34a_100000212229_100015361967 [0,1,0,0,0,0|2,0,0]=3 1036 B7R0.5 CC(=O)C(C)SCF 62a_100009814033_100015361967 [0,1,0,0,0,0|2,0,0]=3 1037 B7R0.5 CC(=O)C(C)SCF 62a_100015361967_100009814033 [0,1,0,0,0,0|2,0,0]=3 1038 B7R0.5 CC(=O)N(C)CC#N 11a_100000748184_100015343762 [0,1,0,0,0,0|2,0,1]=4 1039 B7R0.5 CC(=O)N(C)CC#N 1626a_100000748184_100015343762 [0,1,0,0,0,0|2,0,1]=4 1040 B7R0.5 CC(=O)N(C)CCO 240690a_100000210263_100015343762 [0,1,0,0,0,0|2,0,0]=3 1041 B7R0.5 CC(=O)N(C)CCO 527a_100000210263_100103153847 [0,1,0,0,0,0|2,0,0]=3 1042 B7R0.5 CC(CCO)N(C)C 2230a_100000731037_200000210301 [0,1,0,0,0,0|3,0,0]=4 1043 B7R0.5 CC(CCO)N(C)C 2230a_100102631434_100009893172 [0,1,0,0,0,0|3,0,0]=4 1044 B7R0.5 CC(CCO)N(C)C 269982a_100000731037_200000210301 [0,1,0,0,0,0|3,0,0]=4 1045 B7R0.5 CC(CCO)N(C)C 269982a_100102631434_100009893172 [0,1,0,0,0,0|3,0,0]=4 1046 B7R0.5 CC(CCO)N(C)[13CH3] 2230a_100000731037_200025704644 [0,1,0,0,0,0|3,0,0]=4 1047 B7R0.5 CC(CCO)N(C)[13CH3] 269982a_100000731037_200025704644 [0,1,0,0,0,0|3,0,0]=4 1048 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [0,1,0,0,0,0|1,0,0]=2 1049 B7R0.5 CC(CO[13CH3])[N+](=O)[O-] 34a_100000039676_200025704644 [0,1,0,0,0,0|2,0,0]=3 1050 B7R0.5 CC(CO[13CH3])[N+](=O)[O-] 7a_100000039676_200025704644 [0,1,0,0,0,0|2,0,0]=3 1051 B7R0.5 CC(SCF)C(=O)N 62a_100000702099_100015361967 [0,1,0,0,0,0|2,0,0]=3 1052 B7R0.5 CC(SCF)C(=O)N 62a_100015361967_100000702099 [0,1,0,0,0,0|2,0,0]=3 1053 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [0,1,0,0,0,0|0,0,2]=3 1054 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [0,1,0,0,0,0|0,0,2]=3 1055 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [0,1,0,0,0,0|0,0,0]=1 1056 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [0,1,0,0,0,0|0,0,0]=1 1057 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [0,1,0,0,0,0|0,0,0]=1 1058 B7R0.5 CCCC(C)N(C)C 2230a_100102631434_100000766640 [0,1,0,0,0,0|2,0,0]=3 1059 B7R0.5 CCCC(C)N(C)C 269982a_100102631434_100000766640 [0,1,0,0,0,0|2,0,0]=3 1060 B7R0.5 CCCC(C)N(C)C 270004a_100102631434_100000211909 [0,1,0,0,0,0|2,0,0]=3 1061 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [0,1,0,0,0,0|1,0,0]=2 1062 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [0,1,0,0,0,0|1,0,0]=2 1063 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [0,1,0,0,0,0|1,0,0]=2 1064 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [0,1,0,0,0,0|1,0,0]=2 1065 B7R0.5 CCCN(C)C(C)C 2230a_100000747261_100000210206 [0,1,0,0,0,0|2,0,1]=4 1066 B7R0.5 CCCN(C)C(C)C 2230a_106256033942_200000210301 [0,1,0,0,0,0|2,0,1]=4 1067 B7R0.5 CCCN(C)C(C)C 269982a_100000747261_100000210206 [0,1,0,0,0,0|2,0,1]=4 1068 B7R0.5 CCCN(C)C(C)C 269982a_106256033942_200000210301 [0,1,0,0,0,0|2,0,1]=4 1069 B7R0.5 CCCN(C)C(C)C 269982a_200000211004_100000210303 [0,1,0,0,0,0|2,0,1]=4 1070 B7R0.5 CCCN([13CH3])C(C)C 2230a_106256033942_200025704644 [0,1,0,0,0,0|2,0,1]=4 1071 B7R0.5 CCCN([13CH3])C(C)C 269982a_106256033942_200025704644 [0,1,0,0,0,0|2,0,1]=4 1072 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [0,1,0,0,0,0|1,0,0]=2 1073 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [0,1,0,0,0,0|1,0,0]=2 1074 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [0,1,0,0,0,0|2,0,1]=4 1075 B7R0.5 CCNC(=O)C(=O)N 240690a_100015525214_100011215815 [0,1,0,0,0,0|2,0,1]=4 1076 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [0,1,0,0,0,0|2,0,1]=4 1077 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [0,1,0,0,0,0|1,0,0]=2 1078 B7R0.5 CCNC(C)C(=O)N 2230a_100015525214_100000702099 [0,1,0,0,0,0|1,0,0]=2 1079 B7R0.5 CCNC(C)C(C)C 2230a_100000211541_100000210202 [0,1,0,0,0,0|2,0,1]=4 1080 B7R0.5 CCNC(F)C(=O)N 2230a_100015525214_100009813875 [0,1,0,0,0,0|2,0,0]=3 1081 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [0,1,0,0,0,0|1,0,0]=2 1082 B7R0.5 CCN[C@H](C)C(=O)N 2230a_100000119354_100000210202 [0,1,0,0,0,0|1,0,0]=2 1083 B7R0.5 CCN[C@H](C)C(=O)N 34a_100000119354_100000210202 [0,1,0,0,0,0|1,0,0]=2 1084 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [0,1,0,0,0,0|1,0,0]=2 1085 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [0,1,0,0,0,0|1,0,0]=2 1086 B7R0.5 CCOC(C)C(=O)N 34a_100121572206_100000702099 [0,1,0,0,0,0|1,0,0]=2 1087 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [0,1,0,0,0,0|1,0,0]=2 1088 B7R0.5 CCOC(C)C(C)C 7a_100000748068_100000210202 [0,1,0,0,0,0|2,0,1]=4 1089 B7R0.5 CCOC(F)C(=O)N 34a_100121572206_100009813875 [0,1,0,0,0,0|2,0,0]=3 1090 B7R0.5 CCOC(F)C(=O)[O-] 34a_100121572206_100020610796 [0,1,0,0,0,0|2,0,0]=3 1091 B7R0.5 CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210202 [0,1,0,0,0,0|1,0,0]=2 1092 B7R0.5 CCO[C@H](C)C(=O)N 34a_100000731257_100000210202 [0,1,0,0,0,0|1,0,0]=2 1093 B7R0.5 CCO[C@H](C)C(=O)N 7a_100000731257_100000210202 [0,1,0,0,0,0|1,0,0]=2 1094 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [0,1,0,0,0,0|1,0,0]=2 1095 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [0,1,0,0,0,0|1,0,0]=2 1096 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [0,1,0,0,0,0|1,0,0]=2 1097 B7R0.5 CCSC(C)C(=O)N 62a_100000210202_100000702099 [0,1,0,0,0,0|1,0,0]=2 1098 B7R0.5 CCSC(C)C(=O)N 62a_100000702099_100000210202 [0,1,0,0,0,0|1,0,0]=2 1099 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [0,1,0,0,0,0|1,0,0]=2 1100 B7R0.5 CCSC(F)C(=O)N 62a_100000210202_100009813875 [0,1,0,0,0,0|2,0,0]=3 1101 B7R0.5 CCSC(F)C(=O)N 62a_100009813875_100000210202 [0,1,0,0,0,0|2,0,0]=3 1102 B7R0.5 CCSC(F)C(=O)[O-] 62a_100000210202_100020610796 [0,1,0,0,0,0|2,0,0]=3 1103 B7R0.5 CCSC(F)C(=O)[O-] 62a_100020610796_100000210202 [0,1,0,0,0,0|2,0,0]=3 1104 B7R0.5 CNCC(=O)C(=O)C 34a_100102657272_100011261029 [0,1,0,0,0,0|2,0,1]=4 1105 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [0,1,0,0,0,0|1,0,0]=2 1106 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [0,1,0,0,0,0|2,0,0]=3 1107 B7R0.5 CO/N=C(\C)/C(=O)C 1458a_100160996864_200000210301 [0,1,0,0,0,0|2,0,1]=4 1108 B7R0.5 CO/N=C(\C)/C(=O)[13CH3] 1458a_100160996864_200025704644 [0,1,0,0,0,0|2,0,1]=4 1109 B7R0.5 COCC(=O)C(=O)C 34a_100138415774_100011261029 [0,1,0,0,0,0|2,0,1]=4 1110 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [0,1,0,0,0,0|1,0,0]=2 1111 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [0,1,0,0,0,0|1,0,0]=2 1112 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [0,1,0,0,0,0|1,0,0]=2 1113 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [0,1,0,0,0,0|1,0,0]=2 1114 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [0,1,0,0,0,0|1,0,0]=2 1115 B7R0.5 COCC(C)N(C)C 2230a_100102631434_100000765312 [0,1,0,0,0,0|3,0,0]=4 1116 B7R0.5 COCC(C)N(C)C 269982a_100102631434_100000765312 [0,1,0,0,0,0|3,0,0]=4 1117 B7R0.5 COCC(C)N(C)C 270004a_100102631434_100000749346 [0,1,0,0,0,0|3,0,0]=4 1118 B7R0.5 COCC(C)[N+](=O)[O-] 34a_100000039676_200000210301 [0,1,0,0,0,0|2,0,0]=3 1119 B7R0.5 COCC(C)[N+](=O)[O-] 7a_100000039676_200000210301 [0,1,0,0,0,0|2,0,0]=3 1120 B7R0.5 COC[C@H](N)C(=O)N 34a_100000729942_200000210301 [0,1,0,0,0,0|2,0,0]=3 1121 B7R0.5 CSCC(=O)C(=O)C 62a_100011261029_200000210301 [0,1,0,0,0,0|2,0,1]=4 1122 B7R0.5 CSCC(=O)C(=O)C 62a_200000210301_100011261029 [0,1,0,0,0,0|2,0,1]=4 1123 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [0,1,0,0,0,0|1,0,0]=2 1124 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [0,1,0,0,0,0|1,0,0]=2 1125 B7R0.5 CSCC(C)N(C)C 270004a_100102631434_100011216314 [0,1,0,0,0,0|3,0,0]=4 1126 B7R0.5 C[C@@H](NCF)C(=O)N 34a_100000119354_100015361967 [0,1,0,0,0,0|2,0,0]=3 1127 B7R0.5 C[C@@H](OCF)C(=O)N 34a_100000731257_100015361967 [0,1,0,0,0,0|2,0,0]=3 1128 B7R0.5 C[C@@H](OCF)C(=O)N 7a_100000731257_100015361967 [0,1,0,0,0,0|2,0,0]=3 1129 B7R0.5 C[C@H](NCF)C(=O)O 269956a_100000743915_100015361967 [0,1,0,0,0,0|2,0,0]=3 1130 B7R0.5 C[C@H](OCF)C(=O)[O-] 7a_217856618621_100015361967 [0,1,0,0,0,0|2,0,0]=3 1131 B7R0.5 NC(=O)C(F)SCF 62a_100009813875_100015361967 [0,1,0,0,0,0|3,0,0]=4 1132 B7R0.5 NC(=O)C(F)SCF 62a_100015361967_100009813875 [0,1,0,0,0,0|3,0,0]=4 1133 B7R0.5 O=C([O-])C(F)SCF 62a_100015361967_100020610796 [0,1,0,0,0,0|3,0,0]=4 1134 B7R0.5 O=C([O-])C(F)SCF 62a_100020610796_100015361967 [0,1,0,0,0,0|3,0,0]=4 1135 B7R0.5 [13CH3]NCC(F)C(=O)O 269956a_100000084737_200025704644 [0,1,0,0,0,0|2,0,0]=3 1136 B7R0.5 [13CH3]OC[C@H](N)C(=O)N 34a_100000729942_200025704644 [0,1,0,0,0,0|2,0,0]=3 1137 B7R0.7 C#CCC(C)OCC 34a_100000685586_100000210202 [0,1,0,0,0,0|2,0,1]=4 1138 B7R0.7 C#CCC(C)OCC 7a_100000685586_100000210202 [0,1,0,0,0,0|2,0,1]=4 1139 B7R0.7 C#CCN(C)CC=O 2230a_100000225692_200015260668 [0,1,0,0,0,0|1,0,2]=4 1140 B7R0.7 C#CCN(C)CC=O 34a_100000225692_200009817547 [0,1,0,0,0,0|1,0,2]=4 1141 B7R0.7 C#CCN(C)CCC 2230a_100000225692_100000210303 [0,1,0,0,0,0|2,0,1]=4 1142 B7R0.7 C#CCN(C)CCC 2230a_100000747261_100000038162 [0,1,0,0,0,0|2,0,1]=4 1143 B7R0.7 C#CCN(C)CCC 34a_100000225692_100000210303 [0,1,0,0,0,0|2,0,1]=4 1144 B7R0.7 C/C=C/C(C)OCC 34a_200102604097_100000210202 [0,1,0,0,0,0|2,0,0]=3 1145 B7R0.7 C/C=C/C(C)OCF 34a_200102604097_100015361967 [0,1,0,0,0,0|3,0,0]=4 1146 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [0,1,0,0,0,0|2,0,1]=4 1147 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [0,1,0,0,0,0|2,0,1]=4 1148 B7R0.7 C=CCC(C)COC 34a_100009832082_200000210301 [0,1,0,0,0,0|2,0,0]=3 1149 B7R0.7 C=CCC(C)COC 7a_100009832082_200000210301 [0,1,0,0,0,0|2,0,0]=3 1150 B7R0.7 C=CCC(C)CO[13CH3] 34a_100009832082_200025704644 [0,1,0,0,0,0|2,0,0]=3 1151 B7R0.7 C=CCC(C)CO[13CH3] 7a_100009832082_200025704644 [0,1,0,0,0,0|2,0,0]=3 1152 B7R0.7 C=CCN(C)CC=O 2230a_100000225617_200015260668 [0,1,0,0,0,0|1,0,2]=4 1153 B7R0.7 C=CCN(C)CC=O 269982a_100000225617_200015260668 [0,1,0,0,0,0|1,0,2]=4 1154 B7R0.7 C=CCN(C)CCC 2230a_100000225617_100000210303 [0,1,0,0,0,0|2,0,0]=3 1155 B7R0.7 C=CCN(C)CCC 2230a_100000747261_100000210623 [0,1,0,0,0,0|2,0,0]=3 1156 B7R0.7 C=CCN(C)CCC 269982a_100000225617_100000210303 [0,1,0,0,0,0|2,0,0]=3 1157 B7R0.7 C=CCN(C)CCC 269982a_100000747261_100000210623 [0,1,0,0,0,0|2,0,0]=3 1158 B7R0.7 C=CCN(C)CCF 2230a_100000225617_100011217306 [0,1,0,0,0,0|3,0,0]=4 1159 B7R0.7 C=CCN(C)CCF 269982a_100000225617_100011217306 [0,1,0,0,0,0|3,0,0]=4 1160 B7R0.7 C=CCN(C)CCO 2230a_100000210263_100000210623 [0,1,0,0,0,0|3,0,0]=4 1161 B7R0.7 C=CCN(C)CCO 2230a_100000225617_100000211926 [0,1,0,0,0,0|3,0,0]=4 1162 B7R0.7 C=CCN(C)CCO 269982a_100000210263_100000210623 [0,1,0,0,0,0|3,0,0]=4 1163 B7R0.7 C=CCN(C)CCO 269982a_100000225617_100000211926 [0,1,0,0,0,0|3,0,0]=4 1164 B7R0.7 C=CCN(C)COC 2230a_100000225617_100000766300 [0,1,0,0,0,0|3,0,0]=4 1165 B7R0.7 C=CCN(C)COC 269982a_100000225617_100000766300 [0,1,0,0,0,0|3,0,0]=4 1166 B7R0.7 C=CCN(C)CSC 2230a_100000225617_100011218213 [0,1,0,0,0,0|3,0,0]=4 1167 B7R0.7 C=CCN(C)CSC 269982a_100000225617_100011218213 [0,1,0,0,0,0|3,0,0]=4 1168 B7R0.7 C=CC[C@@H](C)OCC 34a_100000731007_100000210202 [0,1,0,0,0,0|2,0,0]=3 1169 B7R0.7 C=CC[C@@H](C)OCC 7a_100000731007_100000210202 [0,1,0,0,0,0|2,0,0]=3 1170 B7R0.7 C=CC[C@@H](C)OCF 34a_100000731007_100015361967 [0,1,0,0,0,0|3,0,0]=4 1171 B7R0.7 C=CC[C@@H](C)OCF 7a_100000731007_100015361967 [0,1,0,0,0,0|3,0,0]=4 1172 B7R0.7 C=CC[C@@H](N)COC 34a_100020615467_200000210301 [0,1,0,0,0,0|3,0,0]=4 1173 B7R0.7 C=CC[C@@H](N)CO[13CH3] 34a_100020615467_200025704644 [0,1,0,0,0,0|3,0,0]=4 1174 B7R0.7 CC#CC(C)OCC 34a_100011216543_100000210202 [0,1,0,0,0,0|2,0,1]=4 1175 B7R0.7 CC(CCBr)OCF 34a_100012276601_100015361967 [0,1,0,0,0,0|2,0,1]=4 1176 B7R0.7 CC(CCN)CO[13CH3] 34a_106354213184_200025704644 [0,1,0,0,0,0|1,0,2]=4 1177 B7R0.7 CC(CCO)SCF 62a_100009893172_100015361967 [0,1,0,0,0,0|2,0,1]=4 1178 B7R0.7 CC(CCO)SCF 62a_100015361967_100009893172 [0,1,0,0,0,0|2,0,1]=4 1179 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [0,1,0,0,0,0|2,0,1]=4 1180 B7R0.7 CCCC(=O)C=CBr 1458a_100016273825_100000210303 [0,1,0,0,0,0|2,0,1]=4 1181 B7R0.7 CCCC(=O)C=CCl 1458a_200016279998_100000210303 [0,1,0,0,0,0|2,0,1]=4 1182 B7R0.7 CCCC(=O)C=CI 1458a_100016256311_100000210303 [0,1,0,0,0,0|2,0,1]=4 1183 B7R0.7 CCCC(C)CNC 2230a_106832991635_100011216630 [0,1,0,0,0,0|1,0,1]=3 1184 B7R0.7 CCCC(C)CNC 270004a_106832991635_100000243154 [0,1,0,0,0,0|1,0,1]=3 1185 B7R0.7 CCCC(C)CNC 34a_100102657272_100011216630 [0,1,0,0,0,0|1,0,1]=3 1186 B7R0.7 CCCC(C)CNC 7a_106832991635_100011216630 [0,1,0,0,0,0|1,0,1]=3 1187 B7R0.7 CCCC(C)COC 34a_100000688023_200000210301 [0,1,0,0,0,0|0,0,2]=3 1188 B7R0.7 CCCC(C)COC 34a_100138415774_100011216630 [0,1,0,0,0,0|0,0,2]=3 1189 B7R0.7 CCCC(C)COC 7a_100000688023_200000210301 [0,1,0,0,0,0|0,0,2]=3 1190 B7R0.7 CCCC(C)CO[13CH3] 34a_100000688023_200025704644 [0,1,0,0,0,0|0,0,2]=3 1191 B7R0.7 CCCC(C)CO[13CH3] 7a_100000688023_200025704644 [0,1,0,0,0,0|0,0,2]=3 1192 B7R0.7 CCCC(C)CSC 62a_100011216630_200000210301 [0,1,0,0,0,0|0,1,1]=3 1193 B7R0.7 CCCC(C)CSC 62a_200000210301_100011216630 [0,1,0,0,0,0|0,1,1]=3 1194 B7R0.7 CCCC(C)CS[13CH3] 62a_100011216630_200025704644 [0,1,0,0,0,0|0,1,1]=3 1195 B7R0.7 CCCC(C)CS[13CH3] 62a_200025704644_100011216630 [0,1,0,0,0,0|0,1,1]=3 1196 B7R0.7 CCCC(C)NCC 2230a_100000741246_100000210202 [0,1,0,0,0,0|1,0,1]=3 1197 B7R0.7 CCCC(C)NCC 2230a_100015525214_100000766640 [0,1,0,0,0,0|1,0,1]=3 1198 B7R0.7 CCCC(C)NCC 270004a_100015525214_100000211909 [0,1,0,0,0,0|1,0,1]=3 1199 B7R0.7 CCCC(C)OCC 34a_100000764384_100000210202 [0,1,0,0,0,0|1,0,1]=3 1200 B7R0.7 CCCC(C)OCC 34a_100121572206_100000766640 [0,1,0,0,0,0|1,0,1]=3 1201 B7R0.7 CCCC(C)OCC 7a_100000764384_100000210202 [0,1,0,0,0,0|1,0,1]=3 1202 B7R0.7 CCCC(C)OCF 34a_100000764384_100015361967 [0,1,0,0,0,0|1,0,1]=3 1203 B7R0.7 CCCC(C)OCF 7a_100000764384_100015361967 [0,1,0,0,0,0|1,0,1]=3 1204 B7R0.7 CCCC(C)SCC 62a_100000210202_100000766640 [0,1,0,0,0,0|1,0,1]=3 1205 B7R0.7 CCCC(C)SCC 62a_100000766640_100000210202 [0,1,0,0,0,0|1,0,1]=3 1206 B7R0.7 CCCC(C)SCF 62a_100000766640_100015361967 [0,1,0,0,0,0|1,0,1]=3 1207 B7R0.7 CCCC(C)SCF 62a_100015361967_100000766640 [0,1,0,0,0,0|1,0,1]=3 1208 B7R0.7 CCCN(C)CC#N 2230a_100000747261_100011215382 [0,1,0,0,0,0|2,0,1]=4 1209 B7R0.7 CCCN(C)CC#N 2230a_100000748184_100000210303 [0,1,0,0,0,0|2,0,1]=4 1210 B7R0.7 CCCN(C)CC#N 269982a_100000747261_100011214920 [0,1,0,0,0,0|2,0,1]=4 1211 B7R0.7 CCCN(C)CC=O 2230a_100000747261_200015260668 [0,1,0,0,0,0|1,0,0]=2 1212 B7R0.7 CCCN(C)CC=O 269982a_100000747261_200015260668 [0,1,0,0,0,0|1,0,0]=2 1213 B7R0.7 CCCN(C)CCC 2230a_100000210455_200000210301 [0,1,0,0,0,0|2,0,1]=4 1214 B7R0.7 CCCN(C)CCC 2230a_100000747261_100000210303 [0,1,0,0,0,0|2,0,1]=4 1215 B7R0.7 CCCN(C)CCC 269982a_100000210455_200000210301 [0,1,0,0,0,0|2,0,1]=4 1216 B7R0.7 CCCN(C)CCC 269982a_100000747261_100000210303 [0,1,0,0,0,0|2,0,1]=4 1217 B7R0.7 CCCN(C)CCF 2230a_100000747261_100011217306 [0,1,0,0,0,0|2,0,1]=4 1218 B7R0.7 CCCN(C)CCF 269982a_100000747261_100011217306 [0,1,0,0,0,0|2,0,1]=4 1219 B7R0.7 CCCN(C)CCO 2230a_100000210263_100000210303 [0,1,0,0,0,0|1,0,2]=4 1220 B7R0.7 CCCN(C)CCO 2230a_100000211420_200000210301 [0,1,0,0,0,0|1,0,2]=4 1221 B7R0.7 CCCN(C)CCO 2230a_100000747261_100000211926 [0,1,0,0,0,0|1,0,2]=4 1222 B7R0.7 CCCN(C)CCO 269982a_100000210263_100000210303 [0,1,0,0,0,0|1,0,2]=4 1223 B7R0.7 CCCN(C)CCO 269982a_100000211420_200000210301 [0,1,0,0,0,0|1,0,2]=4 1224 B7R0.7 CCCN(C)CCO 269982a_100000747261_100000211926 [0,1,0,0,0,0|1,0,2]=4 1225 B7R0.7 CCCN(C)COC 2230a_100000747261_100000766300 [0,1,0,0,0,0|1,0,2]=4 1226 B7R0.7 CCCN(C)COC 269982a_100000747261_100000766300 [0,1,0,0,0,0|1,0,2]=4 1227 B7R0.7 CCCN(C)CSC 2230a_100000747261_100011218213 [0,1,0,0,0,0|1,1,1]=4 1228 B7R0.7 CCCN(C)CSC 269982a_100000747261_100011218213 [0,1,0,0,0,0|1,1,1]=4 1229 B7R0.7 CCCN([13CH3])CCC 2230a_100000210455_200025704644 [0,1,0,0,0,0|2,0,1]=4 1230 B7R0.7 CCCN([13CH3])CCC 269982a_100000210455_200025704644 [0,1,0,0,0,0|2,0,1]=4 1231 B7R0.7 CCCN([13CH3])CCO 2230a_100000211420_200025704644 [0,1,0,0,0,0|1,0,2]=4 1232 B7R0.7 CCCN([13CH3])CCO 269982a_100000211420_200025704644 [0,1,0,0,0,0|1,0,2]=4 1233 B7R0.7 CCC[C@H](N)COC 34a_100000732646_200000210301 [0,1,0,0,0,0|1,0,2]=4 1234 B7R0.7 CCC[C@H](N)CO[13CH3] 34a_100000732646_200025704644 [0,1,0,0,0,0|1,0,2]=4 1235 B7R0.7 CCNC(C)CC#N 2230a_100015525214_100009813641 [0,1,0,0,0,0|2,0,1]=4 1236 B7R0.7 CCNC(C)CCO 2230a_100015525214_100009893172 [0,1,0,0,0,0|1,0,2]=4 1237 B7R0.7 CCNC(C)COC 2230a_100015525214_100000765312 [0,1,0,0,0,0|1,0,2]=4 1238 B7R0.7 CCNC(C)COC 270004a_100015525214_100000749346 [0,1,0,0,0,0|1,0,2]=4 1239 B7R0.7 CCNC(C)CSC 270004a_100015525214_100011216314 [0,1,0,0,0,0|1,1,1]=4 1240 B7R0.7 CCN[C@@H](C)CC#N 2230a_100016994482_100000210202 [0,1,0,0,0,0|2,0,1]=4 1241 B7R0.7 CCN[C@H](C)CCO 2230a_100000706166_100000210202 [0,1,0,0,0,0|1,0,2]=4 1242 B7R0.7 CCN[C@H](C)CCO 34a_100000706166_100000210202 [0,1,0,0,0,0|1,0,2]=4 1243 B7R0.7 CCN[C@H](C)COC 2230a_100000764878_100000210202 [0,1,0,0,0,0|1,0,2]=4 1244 B7R0.7 CCOC(C)CCBr 34a_100012276601_100000210202 [0,1,0,0,0,0|2,0,1]=4 1245 B7R0.7 CCOC(C)CCO 34a_100121572206_100009893172 [0,1,0,0,0,0|1,0,2]=4 1246 B7R0.7 CCOC(C)COC 34a_100121572206_100000765312 [0,1,0,0,0,0|1,0,2]=4 1247 B7R0.7 CCO[C@H](C)COC 34a_100011934205_100000210202 [0,1,0,0,0,0|1,0,2]=4 1248 B7R0.7 CCSC(C)CC#N 62a_100000210202_100009813641 [0,1,0,0,0,0|2,0,1]=4 1249 B7R0.7 CCSC(C)CC#N 62a_100009813641_100000210202 [0,1,0,0,0,0|2,0,1]=4 1250 B7R0.7 CCSC(C)CCO 62a_100000210202_100009893172 [0,1,0,0,0,0|1,0,2]=4 1251 B7R0.7 CCSC(C)CCO 62a_100009893172_100000210202 [0,1,0,0,0,0|1,0,2]=4 1252 B7R0.7 CCSC(C)COC 62a_100000210202_100000765312 [0,1,0,0,0,0|1,0,2]=4 1253 B7R0.7 CCSC(C)COC 62a_100000765312_100000210202 [0,1,0,0,0,0|1,0,2]=4 1254 B7R0.7 CN(CC#N)CC=O 2230a_100000748184_200015260668 [0,1,0,0,0,0|2,0,1]=4 1255 B7R0.7 CN(CC=O)CCO 2230a_100000210263_200015260668 [0,1,0,0,0,0|2,0,0]=3 1256 B7R0.7 CN(CC=O)CCO 269982a_100000210263_200015260668 [0,1,0,0,0,0|2,0,0]=3 1257 B7R0.7 COCC(C)CCN 34a_106354213184_200000210301 [0,1,0,0,0,0|1,0,2]=4 1258 B7R0.7 COCC(C)SCF 62a_100000765312_100015361967 [0,1,0,0,0,0|2,0,1]=4 1259 B7R0.7 COCC(C)SCF 62a_100015361967_100000765312 [0,1,0,0,0,0|2,0,1]=4 1260 B7R0.7 COC[C@@H](C)OCF 34a_100011934205_100015361967 [0,1,0,0,0,0|2,0,1]=4 1261 B7R0.7 C[C@H](CCO)NCF 34a_100000706166_100015361967 [0,1,0,0,0,0|2,0,1]=4 1262 B7R0.10 C#CC(C)C(=O)CC 1458a_100000210414_200000035995 [0,1,0,0,0,0|1,0,2]=4 1263 B7R0.10 C/C=C(\C)/C(=O)CC 1458a_100020587367_100000210202 [0,1,0,0,0,0|1,0,2]=4 1264 B7R0.10 C/C=C(\C)/C(C)NC 269862a_106832991636_100020675665 [0,1,0,0,0,0|2,0,1]=4 1265 B7R0.10 C=CC(=O)C(C)CC 1458a_100000185746_100000758301 [0,1,0,0,0,0|2,0,1]=4 1266 B7R0.10 C=CC(C)C(=O)CC 1458a_100011216780_100000210202 [0,1,0,0,0,0|1,0,1]=3 1267 B7R0.10 C=CC(C)C(=O)CF 1458a_100011216780_100015361967 [0,1,0,0,0,0|2,0,1]=4 1268 B7R0.10 C=CC(C)C(=O)NC 11a_106832991635_100011216780 [0,1,0,0,0,0|2,0,1]=4 1269 B7R0.10 C=CC(C)C(=O)NC 1626a_100102657272_100011216780 [0,1,0,0,0,0|2,0,1]=4 1270 B7R0.10 C=CC(C)C(=O)NC 240690a_100102657272_100011216780 [0,1,0,0,0,0|2,0,1]=4 1271 B7R0.10 C=CC(C)C(=O)NC 527a_100102657272_100011216780 [0,1,0,0,0,0|2,0,1]=4 1272 B7R0.10 C=CC(C)N(C)CC 269982a_100000225621_100011215867 [0,1,0,0,0,0|2,0,0]=3 1273 B7R0.10 C=C[C@@H](C)[C@@H](C)OC 34a_100015455354_200000210301 [0,1,0,0,0,0|2,0,0]=3 1274 B7R0.10 C=C[C@@H](C)[C@@H](C)OC 7a_100015455354_200000210301 [0,1,0,0,0,0|2,0,0]=3 1275 B7R0.10 C=C[C@@H](C)[C@@H](C)O[13CH3] 34a_100015455354_200025704644 [0,1,0,0,0,0|2,0,0]=3 1276 B7R0.10 C=C[C@@H](C)[C@@H](C)O[13CH3] 7a_100015455354_200025704644 [0,1,0,0,0,0|2,0,0]=3 1277 B7R0.10 CCC(=O)C(C)C#N 1458a_100000210414_100000703298 [0,1,0,0,0,0|1,0,2]=4 1278 B7R0.10 CCC(=O)C(C)C#N 1458a_100000753662_100000210202 [0,1,0,0,0,0|1,0,2]=4 1279 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [0,1,0,0,0,0|1,0,2]=4 1280 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [0,1,0,0,0,0|1,0,2]=4 1281 B7R0.10 CCC(=O)C(C)NC 2230a_106832991635_100000742827 [0,1,0,0,0,0|2,0,1]=4 1282 B7R0.10 CCC(=O)C(C)NC 7a_106832991635_100000742827 [0,1,0,0,0,0|2,0,1]=4 1283 B7R0.10 CCC(=O)C(C)OC 1458a_100000743197_100000210202 [0,1,0,0,0,0|2,0,1]=4 1284 B7R0.10 CCC(=O)C(C)SC 1458a_100000149566_100000210202 [0,1,0,0,0,0|2,0,1]=4 1285 B7R0.10 CCC(=O)C(C)SC 62a_100000742827_200000210301 [0,1,0,0,0,0|2,0,1]=4 1286 B7R0.10 CCC(=O)C(C)SC 62a_200000210301_100000742827 [0,1,0,0,0,0|2,0,1]=4 1287 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_100000742827_200025704644 [0,1,0,0,0,0|2,0,1]=4 1288 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_200025704644_100000742827 [0,1,0,0,0,0|2,0,1]=4 1289 B7R0.10 CCC(C)C(C)NC 269862a_106832991636_100000210599 [0,1,0,0,0,0|2,0,0]=3 1290 B7R0.10 CCC(C)C(C)NC 270004a_106832991635_100000210599 [0,1,0,0,0,0|2,0,0]=3 1291 B7R0.10 CCC(C)C(C)OC 7a_100011215189_200000210301 [0,1,0,0,0,0|2,0,0]=3 1292 B7R0.10 CCC(C)C(C)O[13CH3] 7a_100011215189_200025704644 [0,1,0,0,0,0|2,0,0]=3 1293 B7R0.10 CCC(C)N(C)CC 2230a_100000225621_100000758301 [0,1,0,0,0,0|2,0,1]=4 1294 B7R0.10 CCC(C)N(C)CC 2230a_100000732650_200000210301 [0,1,0,0,0,0|2,0,1]=4 1295 B7R0.10 CCC(C)N(C)CC 2230a_100000741768_100000210202 [0,1,0,0,0,0|2,0,1]=4 1296 B7R0.10 CCC(C)N(C)CC 269982a_100000225621_100000758301 [0,1,0,0,0,0|2,0,1]=4 1297 B7R0.10 CCC(C)N(C)CC 269982a_100000732650_200000210301 [0,1,0,0,0,0|2,0,1]=4 1298 B7R0.10 CCC(C)N(C)CC 269982a_100000741768_100000204670 [0,1,0,0,0,0|2,0,1]=4 1299 B7R0.10 CCC(C)N(C)CF 269982a_100000741768_100015361967 [0,1,0,0,0,0|2,0,1]=4 1300 B7R0.10 CCC(C)N([13CH3])CC 2230a_100000732650_200025704644 [0,1,0,0,0,0|2,0,1]=4 1301 B7R0.10 CCC(C)N([13CH3])CC 269982a_100000732650_200025704644 [0,1,0,0,0,0|2,0,1]=4 1302 B7R0.10 CCN(C)C(C)C#N 2230a_100000225621_100000184139 [0,1,0,0,0,0|2,0,1]=4 1303 B7R0.10 CCN(C)C(C)C#N 269982a_100000225621_100000703298 [0,1,0,0,0,0|2,0,1]=4 1304 B7R0.10 CCN(C)C(C)CO 2230a_100000225621_100012180447 [0,1,0,0,0,0|1,0,2]=4 1305 B7R0.10 CCN(C)C(C)CO 2230a_100000693034_100000210202 [0,1,0,0,0,0|1,0,2]=4 1306 B7R0.10 CCN(C)C(C)CO 2230a_100000731049_200000210301 [0,1,0,0,0,0|1,0,2]=4 1307 B7R0.10 CCN(C)C(C)CO 269982a_100000693034_100000204670 [0,1,0,0,0,0|1,0,2]=4 1308 B7R0.10 CCN(C)C(C)CO 269982a_100000731049_200000210301 [0,1,0,0,0,0|1,0,2]=4 1309 B7R0.10 CCN(C)C(C)OC 269982a_100000225621_100009879195 [0,1,0,0,0,0|3,0,0]=4 1310 B7R0.10 CCN(C)[C@H](C)CO 269982a_100000225621_100016084084 [0,1,0,0,0,0|1,0,2]=4 1311 B7R0.10 CCN([13CH3])C(C)CO 2230a_100000731049_200025704644 [0,1,0,0,0,0|1,0,2]=4 1312 B7R0.10 CCN([13CH3])C(C)CO 269982a_100000731049_200025704644 [0,1,0,0,0,0|1,0,2]=4 1313 B7R0.11 C#CC(C)(C)NCC 34a_100000054563_100000210202 [0,1,0,0,0,0|2,0,1]=4 1314 B7R0.11 C#CC(C)(C)OCC 34a_100000189450_100000210202 [0,1,0,0,0,0|2,0,1]=4 1315 B7R0.11 C#CC(C)(C)OCC 34a_100121572206_100000038118 [0,1,0,0,0,0|2,0,1]=4 1316 B7R0.11 C#CC(C)(C)OCC 7a_100000189450_100000210202 [0,1,0,0,0,0|2,0,1]=4 1317 B7R0.11 C#CC(C)(C)SCC 62a_100000038118_100000210202 [0,1,0,0,0,0|2,0,1]=4 1318 B7R0.11 C#CC(C)(C)SCC 62a_100000210202_100000038118 [0,1,0,0,0,0|2,0,1]=4 1319 B7R0.11 C=CC(C)(C)OCC 34a_100011215311_100000210202 [0,1,0,0,0,0|2,0,0]=3 1320 B7R0.11 C=CC(C)(C)OCC 7a_100011215311_100000210202 [0,1,0,0,0,0|2,0,0]=3 1321 B7R0.11 C=CC(C)(C)OCF 34a_100011215311_100015361967 [0,1,0,0,0,0|3,0,0]=4 1322 B7R0.11 C=CC(C)(C)OCF 7a_100011215311_100015361967 [0,1,0,0,0,0|3,0,0]=4 1323 B7R0.11 C=CC(F)(F)SCC 62a_100000210202_100009814244 [0,1,0,0,0,0|3,0,0]=4 1324 B7R0.11 C=CC(F)(F)SCC 62a_100009814244_100000210202 [0,1,0,0,0,0|3,0,0]=4 1325 B7R0.11 C=C[Si](C)(C)CNC 2230a_106832991635_100000038793 [0,1,0,0,0,0|2,1,0]=4 1326 B7R0.11 C=C[Si](C)(C)CSC 62a_100000038793_200000210301 [0,1,0,0,0,0|2,1,0]=4 1327 B7R0.11 C=C[Si](C)(C)CSC 62a_200000210301_100000038793 [0,1,0,0,0,0|2,1,0]=4 1328 B7R0.11 C=C[Si](C)(C)CS[13CH3] 62a_100000038793_200025704644 [0,1,0,0,0,0|2,1,0]=4 1329 B7R0.11 C=C[Si](C)(C)CS[13CH3] 62a_200025704644_100000038793 [0,1,0,0,0,0|2,1,0]=4 1330 B7R0.11 CC(C)(CCBr)O[13CH3] 7a_100000702414_200025704644 [0,1,0,0,0,0|3,0,0]=4 1331 B7R0.11 CC(C)(CCl)CO[13CH3] 7a_100011217199_200025704644 [0,1,0,0,0,0|2,0,1]=4 1332 B7R0.11 CC(C)(CO)CN[13CH3] 2230a_100020635058_200025704644 [0,1,0,0,0,0|1,0,2]=4 1333 B7R0.11 CC(C)(CO)CS[13CH3] 62a_100009813988_200025704644 [0,1,0,0,0,0|1,0,2]=4 1334 B7R0.11 CC(C)(CO)CS[13CH3] 62a_200025704644_100009813988 [0,1,0,0,0,0|1,0,2]=4 1335 B7R0.11 CCC(C)(C)COC 7a_100000765029_200000210301 [0,1,0,0,0,0|2,0,1]=4 1336 B7R0.11 CCC(C)(C)CO[13CH3] 7a_100000765029_200025704644 [0,1,0,0,0,0|2,0,1]=4 1337 B7R0.11 CCCC(C)(C)OC 7a_100000748436_200000210301 [0,1,0,0,0,0|2,0,0]=3 1338 B7R0.11 CCCC(C)(C)O[13CH3] 7a_100000748436_200025704644 [0,1,0,0,0,0|2,0,0]=3 1339 B7R0.11 CCNC(C)(C)CC 2230a_100000211385_100000210202 [0,1,0,0,0,0|2,0,1]=4 1340 B7R0.11 CCNC(C)(C)CO 2230a_100000210608_100000210202 [0,1,0,0,0,0|1,0,2]=4 1341 B7R0.11 CCOC(C)(C)C#N 34a_100121572206_100011162410 [0,1,0,0,0,0|2,0,1]=4 1342 B7R0.11 CCOC(C)(C)C#N 34a_200015195151_100000210202 [0,1,0,0,0,0|2,0,1]=4 1343 B7R0.11 CCOC(C)(C)CC 7a_100000210230_100000210202 [0,1,0,0,0,0|2,0,1]=4 1344 B7R0.11 CCOC(C)(C)CCl 7a_100000764493_100000210202 [0,1,0,0,0,0|2,0,1]=4 1345 B7R0.11 CCSC(C)(C)C#N 62a_100000210202_100011162410 [0,1,0,0,0,0|2,0,1]=4 1346 B7R0.11 CCSC(C)(C)C#N 62a_100011162410_100000210202 [0,1,0,0,0,0|2,0,1]=4 1347 B7R0.11 CCSC(C)(C)CC 62a_100000032637_100000210202 [0,1,0,0,0,0|2,0,1]=4 1348 B7R0.11 CCSC(C)(C)CC 62a_100000210202_100000032637 [0,1,0,0,0,0|2,0,1]=4 1349 B7R0.11 CNC(C)(C)COC 2230a_100000752728_200000210301 [0,1,0,0,0,0|3,0,0]=4 1350 B7R0.11 CNC(C)(C)CSC 2230a_100000759623_200000210301 [0,1,0,0,0,0|3,0,0]=4 1351 B7R0.11 CNC(C)(C)CSC 7a_100000759623_200000210301 [0,1,0,0,0,0|3,0,0]=4 1352 B7R0.11 CNCC(C)(C)CO 2230a_100020635058_200000210301 [0,1,0,0,0,0|1,0,2]=4 1353 B7R0.11 CNCC(C)(C)CO 34a_100102657272_100009813988 [0,1,0,0,0,0|1,0,2]=4 1354 B7R0.11 CNCC(C)(C)CO 7a_106832991635_100009813988 [0,1,0,0,0,0|1,0,2]=4 1355 B7R0.11 CNCC(C)(C)OC 2230a_100000763424_200000210301 [0,1,0,0,0,0|3,0,0]=4 1356 B7R0.11 CNCC(C)(C)OC 34a_100102657272_100000701081 [0,1,0,0,0,0|3,0,0]=4 1357 B7R0.11 CNCC(C)(C)SC 270004a_106832991635_100009845794 [0,1,0,0,0,0|3,0,0]=4 1358 B7R0.11 COC(C)(C)CCBr 7a_100000702414_200000210301 [0,1,0,0,0,0|3,0,0]=4 1359 B7R0.11 COC(C)(C)CN[13CH3] 2230a_100000763424_200025704644 [0,1,0,0,0,0|3,0,0]=4 1360 B7R0.11 COC(C)(C)CSC 62a_100000701081_200000210301 [0,1,0,0,0,0|3,0,0]=4 1361 B7R0.11 COC(C)(C)CSC 62a_200000210301_100000701081 [0,1,0,0,0,0|3,0,0]=4 1362 B7R0.11 COC(C)(C)CS[13CH3] 62a_100000701081_200025704644 [0,1,0,0,0,0|3,0,0]=4 1363 B7R0.11 COC(C)(C)CS[13CH3] 62a_200025704644_100000701081 [0,1,0,0,0,0|3,0,0]=4 1364 B7R0.11 COCC(C)(C)CCl 7a_100011217199_200000210301 [0,1,0,0,0,0|2,0,1]=4 1365 B7R0.11 COCC(C)(C)CO 34a_100138415774_100009813988 [0,1,0,0,0,0|1,0,2]=4 1366 B7R0.11 COCC(C)(C)N[13CH3] 2230a_100000752728_200025704644 [0,1,0,0,0,0|3,0,0]=4 1367 B7R0.11 COCC(C)(C)OC 34a_100138415774_100000701081 [0,1,0,0,0,0|3,0,0]=4 1368 B7R0.11 CSCC(C)(C)CO 62a_100009813988_200000210301 [0,1,0,0,0,0|1,0,2]=4 1369 B7R0.11 CSCC(C)(C)CO 62a_200000210301_100009813988 [0,1,0,0,0,0|1,0,2]=4 1370 B7R0.11 CSCC(C)(C)N[13CH3] 2230a_100000759623_200025704644 [0,1,0,0,0,0|3,0,0]=4 1371 B7R0.11 CSCC(C)(C)N[13CH3] 7a_100000759623_200025704644 [0,1,0,0,0,0|3,0,0]=4 1372 B7R0.12 C#CC(CC)OCC 34a_100000758843_100000210202 [0,1,0,0,0,0|2,0,1]=4 1373 B7R0.12 C#CC(CC)OCC 7a_100000758843_100000210202 [0,1,0,0,0,0|2,0,1]=4 1374 B7R0.12 C#CC(CCC)OC 34a_200011217317_200000210301 [0,1,0,0,0,0|1,0,1]=3 1375 B7R0.12 C#CC(CCC)OC 7a_200011217317_200000210301 [0,1,0,0,0,0|1,0,1]=3 1376 B7R0.12 C#CC(CCC)O[13CH3] 34a_200011217317_200025704644 [0,1,0,0,0,0|1,0,1]=3 1377 B7R0.12 C#CC(CCC)O[13CH3] 7a_200011217317_200025704644 [0,1,0,0,0,0|1,0,1]=3 1378 B7R0.12 C=CC(C=C)OCC 34a_100000033096_100000210202 [0,1,0,0,0,0|2,0,1]=4 1379 B7R0.12 C=CC(CC)OCC 34a_100000766422_100000210202 [0,1,0,0,0,0|2,0,0]=3 1380 B7R0.12 C=CC(CC)OCC 7a_100000766422_100000210202 [0,1,0,0,0,0|2,0,0]=3 1381 B7R0.12 C=CC(CC)OCF 34a_100000766422_100015361967 [0,1,0,0,0,0|3,0,0]=4 1382 B7R0.12 C=CC(CC)OCF 7a_100000766422_100015361967 [0,1,0,0,0,0|3,0,0]=4 1383 B7R0.12 C=CC(CCC)OC 34a_100011216692_200000210301 [0,1,0,0,0,0|1,0,0]=2 1384 B7R0.12 C=CC(CCC)OC 7a_100011216692_200000210301 [0,1,0,0,0,0|1,0,0]=2 1385 B7R0.12 C=CC(CCC)O[13CH3] 34a_100011216692_200025704644 [0,1,0,0,0,0|1,0,0]=2 1386 B7R0.12 C=CC(CCC)O[13CH3] 7a_100011216692_200025704644 [0,1,0,0,0,0|1,0,0]=2 1387 B7R0.12 C=CCC(C=C)OC 34a_100000038011_200000210301 [0,1,0,0,0,0|1,0,2]=4 1388 B7R0.12 C=CCC(C=C)OC 7a_100000038011_200000210301 [0,1,0,0,0,0|1,0,2]=4 1389 B7R0.12 C=CCC(C=C)O[13CH3] 34a_100000038011_200025704644 [0,1,0,0,0,0|1,0,2]=4 1390 B7R0.12 C=CCC(C=C)O[13CH3] 7a_100000038011_200025704644 [0,1,0,0,0,0|1,0,2]=4 1391 B7R0.12 C=C[C@@H](CO)NCC 2230a_100016989147_100000210202 [0,1,0,0,0,0|2,0,0]=3 1392 B7R0.12 C=C[C@@H](CO)NCC 34a_100016989147_100000210202 [0,1,0,0,0,0|2,0,0]=3 1393 B7R0.12 C=C[C@@H](CO)NCF 34a_100016989147_100015361967 [0,1,0,0,0,0|3,0,0]=4 1394 B7R0.12 CCC(CC)CNC 2230a_100102946423_200000210301 [0,1,0,0,0,0|2,0,1]=4 1395 B7R0.12 CCC(CC)CNC 2230a_106832991635_100011215472 [0,1,0,0,0,0|2,0,1]=4 1396 B7R0.12 CCC(CC)CNC 269862a_106832991636_100000211137 [0,1,0,0,0,0|2,0,1]=4 1397 B7R0.12 CCC(CC)CNC 270004a_106832991635_100000211137 [0,1,0,0,0,0|2,0,1]=4 1398 B7R0.12 CCC(CC)CNC 34a_100102657272_100011215472 [0,1,0,0,0,0|2,0,1]=4 1399 B7R0.12 CCC(CC)CNC 7a_106832991635_100011215472 [0,1,0,0,0,0|2,0,1]=4 1400 B7R0.12 CCC(CC)CN[13CH3] 2230a_100102946423_200025704644 [0,1,0,0,0,0|2,0,1]=4 1401 B7R0.12 CCC(CC)COC 34a_100138415774_100011215472 [0,1,0,0,0,0|2,0,1]=4 1402 B7R0.12 CCC(CC)COC 7a_100000703878_200000210301 [0,1,0,0,0,0|2,0,1]=4 1403 B7R0.12 CCC(CC)CO[13CH3] 7a_100000703878_200025704644 [0,1,0,0,0,0|2,0,1]=4 1404 B7R0.12 CCC(CC)CSC 62a_100011215472_200000210301 [0,1,0,0,0,0|2,0,1]=4 1405 B7R0.12 CCC(CC)CSC 62a_200000210301_100011215472 [0,1,0,0,0,0|2,0,1]=4 1406 B7R0.12 CCC(CC)CS[13CH3] 62a_100011215472_200025704644 [0,1,0,0,0,0|2,0,1]=4 1407 B7R0.12 CCC(CC)CS[13CH3] 62a_200025704644_100011215472 [0,1,0,0,0,0|2,0,1]=4 1408 B7R0.12 CCC(COC)NC 2230a_100000757820_200000210301 [0,1,0,0,0,0|2,0,1]=4 1409 B7R0.12 CCC(COC)NC 270004a_106832991635_100000757811 [0,1,0,0,0,0|2,0,1]=4 1410 B7R0.12 CCC(COC)N[13CH3] 2230a_100000757820_200025704644 [0,1,0,0,0,0|2,0,1]=4 1411 B7R0.12 CCC(COC)OC 34a_100011934954_200000210301 [0,1,0,0,0,0|2,0,1]=4 1412 B7R0.12 CCC(COC)OC 7a_100011934954_200000210301 [0,1,0,0,0,0|2,0,1]=4 1413 B7R0.12 CCC(COC)OC 7a_200011214946_200000210301 [0,1,0,0,0,0|2,0,1]=4 1414 B7R0.12 CCC(COC)O[13CH3] 7a_200011214946_200025704644 [0,1,0,0,0,0|2,0,1]=4 1415 B7R0.12 CCC(CO[13CH3])OC 34a_100011934954_200025704644 [0,1,0,0,0,0|2,0,1]=4 1416 B7R0.12 CCC(CO[13CH3])OC 7a_100011934954_200025704644 [0,1,0,0,0,0|2,0,1]=4 1417 B7R0.12 CCCC(C#N)OC 34a_100000686963_200000210301 [0,1,0,0,0,0|1,0,1]=3 1418 B7R0.12 CCCC(C#N)OC 7a_100000686963_200000210301 [0,1,0,0,0,0|1,0,1]=3 1419 B7R0.12 CCCC(C#N)O[13CH3] 34a_100000686963_200025704644 [0,1,0,0,0,0|1,0,1]=3 1420 B7R0.12 CCCC(C#N)O[13CH3] 7a_100000686963_200025704644 [0,1,0,0,0,0|1,0,1]=3 1421 B7R0.12 CCCC(CC)NC 2230a_100000747048_200000210301 [0,1,0,0,0,0|1,0,1]=3 1422 B7R0.12 CCCC(CC)NC 270004a_106832991635_100000687865 [0,1,0,0,0,0|1,0,1]=3 1423 B7R0.12 CCCC(CC)NC 7a_106832991635_100011219200 [0,1,0,0,0,0|1,0,1]=3 1424 B7R0.12 CCCC(CC)N[13CH3] 2230a_100000747048_200025704644 [0,1,0,0,0,0|1,0,1]=3 1425 B7R0.12 CCCC(CC)OC 34a_100000687864_200000210301 [0,1,0,0,0,0|1,0,1]=3 1426 B7R0.12 CCCC(CC)OC 7a_100000687864_200000210301 [0,1,0,0,0,0|1,0,1]=3 1427 B7R0.12 CCCC(CC)O[13CH3] 34a_100000687864_200025704644 [0,1,0,0,0,0|1,0,1]=3 1428 B7R0.12 CCCC(CC)O[13CH3] 7a_100000687864_200025704644 [0,1,0,0,0,0|1,0,1]=3 1429 B7R0.12 CCCC(CC)SC 62a_100011219200_200000210301 [0,1,0,0,0,0|1,0,1]=3 1430 B7R0.12 CCCC(CC)SC 62a_200000210301_100011219200 [0,1,0,0,0,0|1,0,1]=3 1431 B7R0.12 CCCC(CC)S[13CH3] 62a_100011219200_200025704644 [0,1,0,0,0,0|1,0,1]=3 1432 B7R0.12 CCCC(CC)S[13CH3] 62a_200025704644_100011219200 [0,1,0,0,0,0|1,0,1]=3 1433 B7R0.12 CCCN(CC)CC 2230a_100000226822_100000210202 [0,1,0,0,0,0|2,0,1]=4 1434 B7R0.12 CCCN(CC)CC 2230a_100000724800_100000210303 [0,1,0,0,0,0|2,0,1]=4 1435 B7R0.12 CCCN(CC)CC 269956a_100000042499_100000210207 [0,1,0,0,0,0|2,0,1]=4 1436 B7R0.12 CCCN(CC)CC 269982a_100000226822_100000204670 [0,1,0,0,0,0|2,0,1]=4 1437 B7R0.12 CCCN(CC)CC 269982a_100000724800_100000210303 [0,1,0,0,0,0|2,0,1]=4 1438 B7R0.12 CCCN(CC)CF 269982a_100000226822_100015361967 [0,1,0,0,0,0|2,0,1]=4 1439 B7R0.12 CCC[C@@H](CO)NC 2230a_100000732646_200000210301 [0,1,0,0,0,0|0,0,2]=3 1440 B7R0.12 CCC[C@@H](CO)NC 34a_100000732646_200000210301 [0,1,0,0,0,0|0,0,2]=3 1441 B7R0.12 CCC[C@@H](CO)N[13CH3] 2230a_100000732646_200025704644 [0,1,0,0,0,0|0,0,2]=3 1442 B7R0.12 CCC[C@@H](CO)N[13CH3] 34a_100000732646_200025704644 [0,1,0,0,0,0|0,0,2]=3 1443 B7R0.12 CCNC(C=O)C=O 2230a_100015525214_100000736813 [0,1,0,0,0,0|1,0,1]=3 1444 B7R0.12 CCNC(CC)CC 2230a_100000199018_100000210202 [0,1,0,0,0,0|2,0,1]=4 1445 B7R0.12 CCNC(CC)CC 270004a_100015525214_100000210860 [0,1,0,0,0,0|2,0,1]=4 1446 B7R0.12 CCNC(CO)CO 2230a_100000759517_100000210202 [0,1,0,0,0,0|1,0,2]=4 1447 B7R0.12 CCN[C@@H](CC)CO 2230a_100000709445_100000210202 [0,1,0,0,0,0|1,0,2]=4 1448 B7R0.12 CCOC(C=O)C=O 34a_100121572206_100000736813 [0,1,0,0,0,0|1,0,1]=3 1449 B7R0.12 CCOC(CC)CC 7a_100000688536_100000210202 [0,1,0,0,0,0|2,0,1]=4 1450 B7R0.12 CCOC(CCl)CCl 7a_100000737055_100000210202 [0,1,0,0,0,0|2,0,1]=4 1451 B7R0.12 CCOC(CF)CF 34a_100000032261_100000210202 [0,1,0,0,0,0|2,0,1]=4 1452 B7R0.12 CCOC(CF)CF 7a_100000032261_100000210202 [0,1,0,0,0,0|2,0,1]=4 1453 B7R0.12 CCOC(CN)CN 34a_100000031598_100000210202 [0,1,0,0,0,0|2,0,1]=4 1454 B7R0.12 CCO[C@@H](CF)CCl 34a_100015614560_100000210202 [0,1,0,0,0,0|2,0,1]=4 1455 B7R0.12 CCO[C@@H](CF)CCl 7a_100015614560_100000210202 [0,1,0,0,0,0|2,0,1]=4 1456 B7R0.12 CCSC(C=O)C=O 62a_100000210202_100000736813 [0,1,0,0,0,0|1,0,1]=3 1457 B7R0.12 CCSC(C=O)C=O 62a_100000736813_100000210202 [0,1,0,0,0,0|1,0,1]=3 1458 B7R0.12 CCSC(CC)CC 62a_100000210202_100000210505 [0,1,0,0,0,0|2,0,1]=4 1459 B7R0.12 CCSC(CC)CC 62a_100000210505_100000210202 [0,1,0,0,0,0|2,0,1]=4 1460 B7R0.12 CNC(CO)COC 2230a_100000724102_200000210301 [0,1,0,0,0,0|1,0,2]=4 1461 B7R0.12 CNC(CO)COC 34a_100000724102_200000210301 [0,1,0,0,0,0|1,0,2]=4 1462 B7R0.12 CNCC(OC)OC 2230a_106832991635_100000751394 [0,1,0,0,0,0|3,0,0]=4 1463 B7R0.12 CNCC(OC)OC 270004a_106832991635_100000752162 [0,1,0,0,0,0|3,0,0]=4 1464 B7R0.12 CNCC(OC)OC 34a_100102657272_100000211822 [0,1,0,0,0,0|3,0,0]=4 1465 B7R0.12 CNCC(OC)OC 7a_106832991635_100000751394 [0,1,0,0,0,0|3,0,0]=4 1466 B7R0.12 COC(CO[13CH3])OC 34a_100011216393_200025704644 [0,1,0,0,0,0|3,0,0]=4 1467 B7R0.12 COC(CSC)OC 62a_100000751394_200000210301 [0,1,0,0,0,0|3,0,0]=4 1468 B7R0.12 COC(CSC)OC 62a_200000210301_100000751394 [0,1,0,0,0,0|3,0,0]=4 1469 B7R0.12 COC(CS[13CH3])OC 62a_100000751394_200025704644 [0,1,0,0,0,0|3,0,0]=4 1470 B7R0.12 COC(CS[13CH3])OC 62a_200025704644_100000751394 [0,1,0,0,0,0|3,0,0]=4 1471 B7R0.12 COCC(CCl)OC 34a_100011215053_200000210301 [0,1,0,0,0,0|2,0,1]=4 1472 B7R0.12 COCC(CCl)O[13CH3] 34a_100011215053_200025704644 [0,1,0,0,0,0|2,0,1]=4 1473 B7R0.12 COCC(CN)OC 34a_100000756049_200000210301 [0,1,0,0,0,0|2,0,1]=4 1474 B7R0.12 COCC(CN)O[13CH3] 34a_100000756049_200025704644 [0,1,0,0,0,0|2,0,1]=4 1475 B7R0.12 COCC(CO)N[13CH3] 2230a_100000724102_200025704644 [0,1,0,0,0,0|1,0,2]=4 1476 B7R0.12 COCC(CO)N[13CH3] 34a_100000724102_200025704644 [0,1,0,0,0,0|1,0,2]=4 1477 B7R0.12 COCC(OC)OC 34a_100011216393_200000210301 [0,1,0,0,0,0|3,0,0]=4 1478 B7R0.12 COCC(OC)OC 34a_100138415774_100000211822 [0,1,0,0,0,0|3,0,0]=4 1479 B7R0.12 O=CC(C=O)SCF 62a_100000736813_100015361967 [0,1,0,0,0,0|2,0,1]=4 1480 B7R0.12 O=CC(C=O)SCF 62a_100015361967_100000736813 [0,1,0,0,0,0|2,0,1]=4 1481 B7R1.1 CCN1CCCC1 2230a_100000188435_100000210202 [0,0,0,1,0,0|2,0,1]=4 1482 B7R1.1 CCN1CCCC1 269982a_100000188435_100000204670 [0,0,0,1,0,0|2,0,1]=4 1483 B7R1.1 CNC1CCCC1 2230a_100000211070_200000210301 [0,0,0,1,0,0|2,0,0]=3 1484 B7R1.1 CNC1CCCC1 2230a_106832991635_100000179811 [0,0,0,1,0,0|2,0,0]=3 1485 B7R1.1 CNC1CCCC1 270004a_106832991635_100000210133 [0,0,0,1,0,0|2,0,0]=3 1486 B7R1.1 CNC1CCCC1 34a_100000211070_200000210301 [0,0,0,1,0,0|2,0,0]=3 1487 B7R1.1 CNC1CCCC1 34a_100102657272_100000179811 [0,0,0,1,0,0|2,0,0]=3 1488 B7R1.1 CNC1CCCC1 7a_106832991635_100000179811 [0,0,0,1,0,0|2,0,0]=3 1489 B7R1.1 CNC1CCOC1 2230a_106832991635_100000731011 [0,0,0,1,0,0|3,0,0]=4 1490 B7R1.1 CNC1CCOC1 270004a_106832991635_100000752484 [0,0,0,1,0,0|3,0,0]=4 1491 B7R1.1 CNC1CCOC1 34a_100102657272_100000690089 [0,0,0,1,0,0|3,0,0]=4 1492 B7R1.1 CNC1CCOC1 7a_106832991635_100000731011 [0,0,0,1,0,0|3,0,0]=4 1493 B7R1.1 CNC1CCSC1 270004a_106832991635_100000212027 [0,0,0,1,0,0|3,0,0]=4 1494 B7R1.1 CN[C@@H]1CCOC1 2230a_200015188469_200000210301 [0,0,0,1,0,0|3,0,0]=4 1495 B7R1.1 CN[C@H]1CCOC1 2230a_100015188467_200000210301 [0,0,0,1,0,0|3,0,0]=4 1496 B7R1.1 CN[C@H]1CCOC1 34a_100015188467_200000210301 [0,0,0,1,0,0|3,0,0]=4 1497 B7R1.1 COC1CCCC1 34a_100000210269_200000210301 [0,0,0,1,0,0|2,0,0]=3 1498 B7R1.1 COC1CCCC1 34a_100138415774_100000179811 [0,0,0,1,0,0|2,0,0]=3 1499 B7R1.1 COC1CCCC1 7a_100000210269_200000210301 [0,0,0,1,0,0|2,0,0]=3 1500 B7R1.1 COC1CCCO1 34a_100000085407_200000210301 [0,0,0,1,0,0|3,0,0]=4 1501 B7R1.1 COC1CCOC1 34a_100138415774_100000690089 [0,0,0,1,0,0|3,0,0]=4 1502 B7R1.1 COC1CCSC1 7a_100011232664_200000210301 [0,0,0,1,0,0|3,0,0]=4 1503 B7R1.1 CO[C@H]1CCOC1 34a_100000717292_200000210301 [0,0,0,1,0,0|3,0,0]=4 1504 B7R1.1 CSC1CCCC1 62a_100011217020_200000210301 [0,0,0,1,0,0|2,0,0]=3 1505 B7R1.1 CSC1CCCC1 62a_200000210301_100000179811 [0,0,0,1,0,0|2,0,0]=3 1506 B7R1.1 CSC1CCOC1 62a_200000210301_100000690089 [0,0,0,1,0,0|3,0,0]=4 1507 B7R1.1 FCN1CCCC1 269982a_100000188435_100015361967 [0,0,0,1,0,0|2,0,1]=4 1508 B7R1.1 [13CH3]NC1CCCC1 2230a_100000211070_200025704644 [0,0,0,1,0,0|2,0,0]=3 1509 B7R1.1 [13CH3]NC1CCCC1 34a_100000211070_200025704644 [0,0,0,1,0,0|2,0,0]=3 1510 B7R1.1 [13CH3]N[C@@H]1CCOC1 2230a_200015188469_200025704644 [0,0,0,1,0,0|3,0,0]=4 1511 B7R1.1 [13CH3]N[C@H]1CCOC1 2230a_100015188467_200025704644 [0,0,0,1,0,0|3,0,0]=4 1512 B7R1.1 [13CH3]N[C@H]1CCOC1 34a_100015188467_200025704644 [0,0,0,1,0,0|3,0,0]=4 1513 B7R1.1 [13CH3]OC1CCCC1 34a_100000210269_200025704644 [0,0,0,1,0,0|2,0,0]=3 1514 B7R1.1 [13CH3]OC1CCCC1 7a_100000210269_200025704644 [0,0,0,1,0,0|2,0,0]=3 1515 B7R1.1 [13CH3]OC1CCCO1 34a_100000085407_200025704644 [0,0,0,1,0,0|3,0,0]=4 1516 B7R1.1 [13CH3]OC1CCSC1 7a_100011232664_200025704644 [0,0,0,1,0,0|3,0,0]=4 1517 B7R1.1 [13CH3]O[C@H]1CCOC1 34a_100000717292_200025704644 [0,0,0,1,0,0|3,0,0]=4 1518 B7R1.1 [13CH3]SC1CCCC1 62a_100011217020_200025704644 [0,0,0,1,0,0|2,0,0]=3 1519 B7R1.1 [13CH3]SC1CCCC1 62a_200025704644_100000179811 [0,0,0,1,0,0|2,0,0]=3 1520 B7R1.1 [13CH3]SC1CCOC1 62a_200025704644_100000690089 [0,0,0,1,0,0|3,0,0]=4 1521 B7R1.2 C[C@@H]1CCN(C1)C 2230a_100016987628_200000210301 [0,0,0,1,0,0|2,0,1]=4 1522 B7R1.2 C[C@@H]1CCN(C1)C 269982a_100016987628_200000210301 [0,0,0,1,0,0|2,0,1]=4 1523 B7R1.2 C[C@@H]1CCN(C1)C 34a_100016987628_200000210301 [0,0,0,1,0,0|2,0,1]=4 1524 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 2230a_100016987628_200025704644 [0,0,0,1,0,0|2,0,1]=4 1525 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 269982a_100016987628_200025704644 [0,0,0,1,0,0|2,0,1]=4 1526 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 34a_100016987628_200025704644 [0,0,0,1,0,0|2,0,1]=4 1527 B7R1.3 CN1CCCOC1 2230a_100000131196_200000210301 [0,0,0,1,0,0|1,0,2]=4 1528 B7R1.3 CN1CCCOC1 269982a_100000131196_200000210301 [0,0,0,1,0,0|1,0,2]=4 1529 B7R1.3 CN1CCCOC1 34a_100000131196_200000210301 [0,0,0,1,0,0|1,0,2]=4 1530 B7R1.3 [13CH3]N1CCCOC1 2230a_100000131196_200025704644 [0,0,0,1,0,0|1,0,2]=4 1531 B7R1.3 [13CH3]N1CCCOC1 269982a_100000131196_200025704644 [0,0,0,1,0,0|1,0,2]=4 1532 B7R1.3 [13CH3]N1CCCOC1 34a_100000131196_200025704644 [0,0,0,1,0,0|1,0,2]=4 1533 B7R1.4 CC1SCCN1C 2230a_200011216479_200000210301 [0,0,0,1,0,0|3,0,0]=4 1534 B7R1.4 CC1SCCN1C 269982a_200011216479_200000210301 [0,0,0,1,0,0|3,0,0]=4 1535 B7R1.4 CC1SCCN1C 34a_200011216479_200000210301 [0,0,0,1,0,0|3,0,0]=4 1536 B7R1.4 CC1SCCN1[13CH3] 2230a_200011216479_200025704644 [0,0,0,1,0,0|3,0,0]=4 1537 B7R1.4 CC1SCCN1[13CH3] 269982a_200011216479_200025704644 [0,0,0,1,0,0|3,0,0]=4 1538 B7R1.4 CC1SCCN1[13CH3] 34a_200011216479_200025704644 [0,0,0,1,0,0|3,0,0]=4 1539 B7R1.4 C[C@@H]1CCCN1C 2230a_100015189458_200000210301 [0,0,0,1,0,0|2,0,0]=3 1540 B7R1.4 C[C@@H]1CCCN1C 269982a_100015189458_200000210301 [0,0,0,1,0,0|2,0,0]=3 1541 B7R1.4 C[C@@H]1CCCN1C 34a_100015189458_200000210301 [0,0,0,1,0,0|2,0,0]=3 1542 B7R1.4 C[C@@H]1CCCN1[13CH3] 2230a_100015189458_200025704644 [0,0,0,1,0,0|2,0,0]=3 1543 B7R1.4 C[C@@H]1CCCN1[13CH3] 269982a_100015189458_200025704644 [0,0,0,1,0,0|2,0,0]=3 1544 B7R1.4 C[C@@H]1CCCN1[13CH3] 34a_100015189458_200025704644 [0,0,0,1,0,0|2,0,0]=3 1545 B7R1.4 C[C@H]1CCCN1C 2230a_100020605311_200000210301 [0,0,0,1,0,0|2,0,0]=3 1546 B7R1.4 C[C@H]1CCCN1C 269982a_100020605311_200000210301 [0,0,0,1,0,0|2,0,0]=3 1547 B7R1.4 C[C@H]1CCCN1[13CH3] 2230a_100020605311_200025704644 [0,0,0,1,0,0|2,0,0]=3 1548 B7R1.4 C[C@H]1CCCN1[13CH3] 269982a_100020605311_200025704644 [0,0,0,1,0,0|2,0,0]=3 1549 B7R1.5 CC1CC1CO[13CH3] 34a_100000744939_200025704644 [0,0,0,1,0,0|2,0,1]=4 1550 B7R1.5 CC1CC1CO[13CH3] 7a_100000744939_200025704644 [0,0,0,1,0,0|2,0,1]=4 1551 B7R1.5 CCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210202 [0,0,0,1,0,0|2,0,1]=4 1552 B7R1.5 CCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210202 [0,0,0,1,0,0|2,0,1]=4 1553 B7R1.5 CCN[C@@H]1C[C@H]1F 34a_100025746932_100000210202 [0,0,0,1,0,0|2,0,1]=4 1554 B7R1.5 COCC1CC1C 34a_100000744939_200000210301 [0,0,0,1,0,0|2,0,1]=4 1555 B7R1.5 COCC1CC1C 7a_100000744939_200000210301 [0,0,0,1,0,0|2,0,1]=4 1556 B7R1.6 CCCN1CCC1 269982a_100000754969_100000210303 [0,0,0,1,0,0|2,0,1]=4 1557 B7R1.6 CCNC1CCC1 2230a_100000749019_100000210202 [0,0,0,1,0,0|2,0,1]=4 1558 B7R1.6 CCNC1CCC1 270004a_100015525214_100000241760 [0,0,0,1,0,0|2,0,1]=4 1559 B7R1.6 CCNC1CCC1 34a_100000749019_100000210202 [0,0,0,1,0,0|2,0,1]=4 1560 B7R1.6 CCNC1COC1 2230a_100016991112_100000210202 [0,0,0,1,0,0|1,0,2]=4 1561 B7R1.6 CCOC1CCC1 34a_100000748187_100000210202 [0,0,0,1,0,0|2,0,1]=4 1562 B7R1.6 CCOC1CCC1 34a_100121572206_100000749161 [0,0,0,1,0,0|2,0,1]=4 1563 B7R1.6 CCOC1COC1 34a_100121572206_100009818527 [0,0,0,1,0,0|1,0,2]=4 1564 B7R1.6 CCOC1CSC1 7a_100000072292_100000210202 [0,0,0,1,0,0|1,1,1]=4 1565 B7R1.6 CCSC1CCC1 62a_100000210202_100000749161 [0,0,0,1,0,0|2,0,1]=4 1566 B7R1.6 CCSC1COC1 62a_100000210202_100009818527 [0,0,0,1,0,0|1,0,2]=4 1567 B7R1.6 CNCC1CCC1 2230a_100000738700_200000210301 [0,0,0,1,0,0|2,0,1]=4 1568 B7R1.6 CNCC1CCC1 2230a_106832991635_100000763275 [0,0,0,1,0,0|2,0,1]=4 1569 B7R1.6 CNCC1CCC1 269862a_106832991636_100000753134 [0,0,0,1,0,0|2,0,1]=4 1570 B7R1.6 CNCC1CCC1 34a_100000738700_200000210301 [0,0,0,1,0,0|2,0,1]=4 1571 B7R1.6 CNCC1CCC1 34a_100102657272_100000763275 [0,0,0,1,0,0|2,0,1]=4 1572 B7R1.6 CNCC1CCC1 7a_106832991635_100000763275 [0,0,0,1,0,0|2,0,1]=4 1573 B7R1.6 CNCC1CCO1 2230a_106832991635_100000103362 [0,0,0,1,0,0|3,0,0]=4 1574 B7R1.6 CNCC1CCO1 34a_100102657272_100000103362 [0,0,0,1,0,0|3,0,0]=4 1575 B7R1.6 CNCC1CCO1 7a_106832991635_100000103362 [0,0,0,1,0,0|3,0,0]=4 1576 B7R1.6 CNCC1COC1 2230a_100015281925_200000210301 [0,0,0,1,0,0|1,0,2]=4 1577 B7R1.6 CNCC1COC1 2230a_106832991635_100010264016 [0,0,0,1,0,0|1,0,2]=4 1578 B7R1.6 CNCC1COC1 34a_100015281925_200000210301 [0,0,0,1,0,0|1,0,2]=4 1579 B7R1.6 CNCC1COC1 34a_100102657272_100010264016 [0,0,0,1,0,0|1,0,2]=4 1580 B7R1.6 CNCC1COC1 7a_106832991635_100010264016 [0,0,0,1,0,0|1,0,2]=4 1581 B7R1.6 CNC[C@@H]1CCO1 2230a_100020831831_200000210301 [0,0,0,1,0,0|3,0,0]=4 1582 B7R1.6 CNC[C@@H]1CCO1 34a_100020831831_200000210301 [0,0,0,1,0,0|3,0,0]=4 1583 B7R1.6 COCC1CCC1 34a_100000760304_200000210301 [0,0,0,1,0,0|2,0,1]=4 1584 B7R1.6 COCC1CCC1 34a_100138415774_100000763275 [0,0,0,1,0,0|2,0,1]=4 1585 B7R1.6 COCC1CCO1 34a_100000039022_200000210301 [0,0,0,1,0,0|3,0,0]=4 1586 B7R1.6 COCC1CCO1 34a_100138415774_100000103362 [0,0,0,1,0,0|3,0,0]=4 1587 B7R1.6 COCC1CNC1 34a_100016987283_200000210301 [0,0,0,1,0,0|2,0,1]=4 1588 B7R1.6 COCC1COC1 34a_100000060846_200000210301 [0,0,0,1,0,0|1,0,2]=4 1589 B7R1.6 COCC1COC1 34a_100138415774_100010264016 [0,0,0,1,0,0|1,0,2]=4 1590 B7R1.6 CSCC1CCC1 62a_100000763275_200000210301 [0,0,0,1,0,0|2,0,1]=4 1591 B7R1.6 CSCC1CCC1 62a_200000210301_100000763275 [0,0,0,1,0,0|2,0,1]=4 1592 B7R1.6 CSCC1CCO1 62a_100000103362_200000210301 [0,0,0,1,0,0|3,0,0]=4 1593 B7R1.6 CSCC1CCO1 62a_200000210301_100000103362 [0,0,0,1,0,0|3,0,0]=4 1594 B7R1.6 CSCC1COC1 62a_100010264016_200000210301 [0,0,0,1,0,0|1,0,2]=4 1595 B7R1.6 CSCC1COC1 62a_200000210301_100010264016 [0,0,0,1,0,0|1,0,2]=4 1596 B7R1.6 [13CH3]NCC1CCC1 2230a_100000738700_200025704644 [0,0,0,1,0,0|2,0,1]=4 1597 B7R1.6 [13CH3]NCC1CCC1 34a_100000738700_200025704644 [0,0,0,1,0,0|2,0,1]=4 1598 B7R1.6 [13CH3]NCC1COC1 2230a_100015281925_200025704644 [0,0,0,1,0,0|1,0,2]=4 1599 B7R1.6 [13CH3]NCC1COC1 34a_100015281925_200025704644 [0,0,0,1,0,0|1,0,2]=4 1600 B7R1.6 [13CH3]NC[C@@H]1CCO1 2230a_100020831831_200025704644 [0,0,0,1,0,0|3,0,0]=4 1601 B7R1.6 [13CH3]NC[C@@H]1CCO1 34a_100020831831_200025704644 [0,0,0,1,0,0|3,0,0]=4 1602 B7R1.6 [13CH3]OCC1CCC1 34a_100000760304_200025704644 [0,0,0,1,0,0|2,0,1]=4 1603 B7R1.6 [13CH3]OCC1CCO1 34a_100000039022_200025704644 [0,0,0,1,0,0|3,0,0]=4 1604 B7R1.6 [13CH3]OCC1CNC1 34a_100016987283_200025704644 [0,0,0,1,0,0|2,0,1]=4 1605 B7R1.6 [13CH3]OCC1COC1 34a_100000060846_200025704644 [0,0,0,1,0,0|1,0,2]=4 1606 B7R1.6 [13CH3]SCC1CCC1 62a_100000763275_200025704644 [0,0,0,1,0,0|2,0,1]=4 1607 B7R1.6 [13CH3]SCC1CCC1 62a_200025704644_100000763275 [0,0,0,1,0,0|2,0,1]=4 1608 B7R1.6 [13CH3]SCC1CCO1 62a_100000103362_200025704644 [0,0,0,1,0,0|3,0,0]=4 1609 B7R1.6 [13CH3]SCC1CCO1 62a_200025704644_100000103362 [0,0,0,1,0,0|3,0,0]=4 1610 B7R1.6 [13CH3]SCC1COC1 62a_100010264016_200025704644 [0,0,0,1,0,0|1,0,2]=4 1611 B7R1.6 [13CH3]SCC1COC1 62a_200025704644_100010264016 [0,0,0,1,0,0|1,0,2]=4 1612 B7R1.8 CCN1CCC1C 269982a_100000755817_100000204670 [0,0,0,1,0,0|2,0,1]=4 1613 B7R1.8 CCN1CCC1C 34a_100000755817_100000210202 [0,0,0,1,0,0|2,0,1]=4 1614 B7R1.10 CC1CN(C1)CF 269982a_100000702820_100015361967 [0,0,0,1,0,0|2,0,1]=4 1615 B7R1.10 CC1CN(C1)CF 34a_100000702820_100015361967 [0,0,0,1,0,0|2,0,1]=4 1616 B7R1.10 CCC1CN(C1)C 2230a_100015205115_200000210301 [0,0,0,1,0,0|2,0,1]=4 1617 B7R1.10 CCC1CN(C1)C 269982a_100015205115_200000210301 [0,0,0,1,0,0|2,0,1]=4 1618 B7R1.10 CCC1CN(C1)[13CH3] 2230a_100015205115_200025704644 [0,0,0,1,0,0|2,0,1]=4 1619 B7R1.10 CCC1CN(C1)[13CH3] 269982a_100015205115_200025704644 [0,0,0,1,0,0|2,0,1]=4 1620 B7R1.10 CCN1CC(C1)C 2230a_100000702820_100000210202 [0,0,0,1,0,0|2,0,1]=4 1621 B7R1.10 CCN1CC(C1)C 269982a_100000702820_100000204670 [0,0,0,1,0,0|2,0,1]=4 1622 B7R1.10 CCN1CC(C1)C 34a_100000702820_100000210202 [0,0,0,1,0,0|2,0,1]=4 1623 B7R1.10 CN1CC(C1)CF 269982a_100010363649_200000210301 [0,0,0,1,0,0|2,0,1]=4 1624 B7R1.10 CN1CC(C1)CF 34a_100010363649_200000210301 [0,0,0,1,0,0|2,0,1]=4 1625 B7R1.10 CN1CC(C1)CO 269982a_100016987283_200000210301 [0,0,0,1,0,0|1,0,2]=4 1626 B7R1.10 CN1CC(C1)CO 34a_100016987283_200000210301 [0,0,0,1,0,0|1,0,2]=4 1627 B7R1.10 CNC1CC(C1)F 2230a_100016993743_200000210301 [0,0,0,1,0,0|3,0,0]=4 1628 B7R1.10 CN[C@H]1C[C@@H](C1)O 2230a_100020629032_200000210301 [0,0,0,1,0,0|3,0,0]=4 1629 B7R1.10 COC1CN(C1)C 269982a_100000755009_200000210301 [0,0,0,1,0,0|3,0,0]=4 1630 B7R1.10 COC1CN(C1)[13CH3] 269982a_100000755009_200025704644 [0,0,0,1,0,0|3,0,0]=4 1631 B7R1.10 CSC1CN(C1)C 269982a_100016990038_200000210301 [0,0,0,1,0,0|3,0,0]=4 1632 B7R1.10 CSC1CN(C1)[13CH3] 269982a_100016990038_200025704644 [0,0,0,1,0,0|3,0,0]=4 1633 B7R1.10 [13CH3]N1CC(C1)CF 269982a_100010363649_200025704644 [0,0,0,1,0,0|2,0,1]=4 1634 B7R1.10 [13CH3]N1CC(C1)CF 34a_100010363649_200025704644 [0,0,0,1,0,0|2,0,1]=4 1635 B7R1.10 [13CH3]N1CC(C1)CO 269982a_100016987283_200025704644 [0,0,0,1,0,0|1,0,2]=4 1636 B7R1.10 [13CH3]N1CC(C1)CO 34a_100016987283_200025704644 [0,0,0,1,0,0|1,0,2]=4 1637 B7R1.10 [13CH3]NC1CC(C1)F 2230a_100016993743_200025704644 [0,0,0,1,0,0|3,0,0]=4 1638 B7R1.10 [13CH3]N[C@H]1C[C@@H](C1)O 2230a_100020629032_200025704644 [0,0,0,1,0,0|3,0,0]=4 1639 B7R1.21 CC1(CC1)CN[13CH3] 2230a_100000766693_200025704644 [0,0,0,1,0,0|2,0,1]=4 1640 B7R1.21 CC1(CC1)CO[13CH3] 7a_100000698024_200025704644 [0,0,0,1,0,0|2,0,1]=4 1641 B7R1.21 CC1(CO1)CS[13CH3] 62a_100000760498_200025704644 [0,0,0,1,0,0|1,0,2]=4 1642 B7R1.21 CC1(CO1)CS[13CH3] 62a_200025704644_100000760498 [0,0,0,1,0,0|1,0,2]=4 1643 B7R1.21 CCNC1(CC1)C 2230a_100000757604_100000210202 [0,0,0,1,0,0|2,0,1]=4 1644 B7R1.21 CCOC1(CC1)C 7a_100011725673_100000210202 [0,0,0,1,0,0|2,0,1]=4 1645 B7R1.21 CNCC1(CC1)C 2230a_100000766693_200000210301 [0,0,0,1,0,0|2,0,1]=4 1646 B7R1.21 CNCC1(CO1)C 34a_100102657272_100000760498 [0,0,0,1,0,0|1,0,2]=4 1647 B7R1.21 COCC1(CC1)C 7a_100000698024_200000210301 [0,0,0,1,0,0|2,0,1]=4 1648 B7R1.21 COCC1(CO1)C 34a_100138415774_100000760498 [0,0,0,1,0,0|1,0,2]=4 1649 B7R1.21 CSCC1(CO1)C 62a_100000760498_200000210301 [0,0,0,1,0,0|1,0,2]=4 1650 B7R1.21 CSCC1(CO1)C 62a_200000210301_100000760498 [0,0,0,1,0,0|1,0,2]=4 1651 B7R1.22 CC(N[13CH3])C1CC1 2230a_100000700016_200025704644 [0,0,0,1,0,0|2,0,0]=3 1652 B7R1.22 CC(N[13CH3])C1CC1 34a_100000700016_200025704644 [0,0,0,1,0,0|2,0,0]=3 1653 B7R1.22 CC(O[13CH3])C1CC1 34a_100000744524_200025704644 [0,0,0,1,0,0|2,0,0]=3 1654 B7R1.22 CC(O[13CH3])C1CC1 7a_100000744524_200025704644 [0,0,0,1,0,0|2,0,0]=3 1655 B7R1.22 CCN(C)C1CC1 2230a_100000226674_100000210202 [0,0,0,1,0,0|2,0,1]=4 1656 B7R1.22 CCN(C)C1CC1 2230a_100000738653_200000210301 [0,0,0,1,0,0|2,0,1]=4 1657 B7R1.22 CCN(C)C1CC1 269982a_100000225621_100000211595 [0,0,0,1,0,0|2,0,1]=4 1658 B7R1.22 CCN(C)C1CC1 269982a_100000226674_100000204670 [0,0,0,1,0,0|2,0,1]=4 1659 B7R1.22 CCN(C)C1CC1 269982a_100000738653_200000210301 [0,0,0,1,0,0|2,0,1]=4 1660 B7R1.22 CCN([13CH3])C1CC1 2230a_100000738653_200025704644 [0,0,0,1,0,0|2,0,1]=4 1661 B7R1.22 CCN([13CH3])C1CC1 269982a_100000738653_200025704644 [0,0,0,1,0,0|2,0,1]=4 1662 B7R1.22 CN(CF)C1CC1 269982a_100000226674_100015361967 [0,0,0,1,0,0|2,0,1]=4 1663 B7R1.22 CNC(C)C1CC1 2230a_100000700016_200000210301 [0,0,0,1,0,0|2,0,0]=3 1664 B7R1.22 CNC(C)C1CC1 269862a_106832991636_100000210639 [0,0,0,1,0,0|2,0,0]=3 1665 B7R1.22 CNC(C)C1CC1 34a_100000700016_200000210301 [0,0,0,1,0,0|2,0,0]=3 1666 B7R1.22 CNC(C)C1CO1 270004a_106832991635_100000031964 [0,0,0,1,0,0|3,0,0]=4 1667 B7R1.22 COC(C)C1CC1 34a_100000744524_200000210301 [0,0,0,1,0,0|2,0,0]=3 1668 B7R1.22 COC(C)C1CC1 7a_100000744524_200000210301 [0,0,0,1,0,0|2,0,0]=3 1669 B7R1.25 CC1(CCC1)N[13CH3] 2230a_100000692455_200025704644 [0,0,0,1,0,0|2,0,0]=3 1670 B7R1.25 CC1(CCC1)N[13CH3] 34a_100000692455_200025704644 [0,0,0,1,0,0|2,0,0]=3 1671 B7R1.25 CC1(CCC1)O[13CH3] 34a_100000759064_200025704644 [0,0,0,1,0,0|2,0,0]=3 1672 B7R1.25 CC1(CCC1)O[13CH3] 7a_100000759064_200025704644 [0,0,0,1,0,0|2,0,0]=3 1673 B7R1.25 CC1(COC1)N[13CH3] 2230a_100000732644_200025704644 [0,0,0,1,0,0|3,0,0]=4 1674 B7R1.25 CC1(CSC1)O[13CH3] 7a_100016018533_200025704644 [0,0,0,1,0,0|3,0,0]=4 1675 B7R1.25 CNC1(CCC1)C 2230a_100000692455_200000210301 [0,0,0,1,0,0|2,0,0]=3 1676 B7R1.25 CNC1(CCC1)C 34a_100000692455_200000210301 [0,0,0,1,0,0|2,0,0]=3 1677 B7R1.25 CNC1(COC1)C 2230a_100000732644_200000210301 [0,0,0,1,0,0|3,0,0]=4 1678 B7R1.25 COC1(CCC1)C 34a_100000759064_200000210301 [0,0,0,1,0,0|2,0,0]=3 1679 B7R1.25 COC1(CCC1)C 7a_100000759064_200000210301 [0,0,0,1,0,0|2,0,0]=3 1680 B7R1.25 COC1(CSC1)C 7a_100016018533_200000210301 [0,0,0,1,0,0|3,0,0]=4 1681 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [2,0,0,0,0,0|1,0,1]=4 1682 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [2,0,0,0,0,0|1,0,1]=4 1683 B4R0.1 CC(C)N[13CH3] 2230a_100138425928_200025704644 [2,0,0,0,0,0|1,0,1]=4 1684 B4R0.1 CC(C)N[13CH3] 34a_100138425928_200025704644 [2,0,0,0,0,0|1,0,1]=4 1685 B4R0.1 CC(C)O[13CH3] 34a_100000212225_200025704644 [2,0,0,0,0,0|1,0,1]=4 1686 B4R0.1 CC(C)S[13CH3] 62a_100000210206_200025704644 [2,0,0,0,0,0|1,0,1]=4 1687 B4R0.1 CC(C)S[13CH3] 62a_200025704644_100000210206 [2,0,0,0,0,0|1,0,1]=4 1688 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [2,0,0,0,0,0|0,0,1]=3 1689 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [2,0,0,0,0,0|0,0,1]=3 1690 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [2,0,0,0,0,0|0,0,1]=3 1691 B4R0.1 CCN(C)C 2230a_100000225621_200000210301 [2,0,0,0,0,0|1,0,1]=4 1692 B4R0.1 CCN(C)C 2230a_100102631434_100000210202 [2,0,0,0,0,0|1,0,1]=4 1693 B4R0.1 CCN(C)C 269982a_100000225621_200000210301 [2,0,0,0,0,0|1,0,1]=4 1694 B4R0.1 CCN(C)C 269982a_100102631434_100000204670 [2,0,0,0,0,0|1,0,1]=4 1695 B4R0.1 CCN(C)[13CH3] 2230a_100000225621_200025704644 [2,0,0,0,0,0|1,0,1]=4 1696 B4R0.1 CCN(C)[13CH3] 269982a_100000225621_200025704644 [2,0,0,0,0,0|1,0,1]=4 1697 B4R0.1 CNC(=O)C 11a_106832991635_100015343762 [2,0,0,0,0,0|1,0,1]=4 1698 B4R0.1 CNC(=O)C 1626a_100102657272_100015343762 [2,0,0,0,0,0|1,0,1]=4 1699 B4R0.1 CNC(=O)C 240690a_100102657272_100015343762 [2,0,0,0,0,0|1,0,1]=4 1700 B4R0.1 CNC(=O)C 527a_100102657272_100103153847 [2,0,0,0,0,0|1,0,1]=4 1701 B4R0.1 CNC(C)C 2230a_100138425928_200000210301 [2,0,0,0,0,0|1,0,1]=4 1702 B4R0.1 CNC(C)C 2230a_106832991635_100000210206 [2,0,0,0,0,0|1,0,1]=4 1703 B4R0.1 CNC(C)C 34a_100102657272_100000210206 [2,0,0,0,0,0|1,0,1]=4 1704 B4R0.1 CNC(C)C 34a_100138425928_200000210301 [2,0,0,0,0,0|1,0,1]=4 1705 B4R0.1 CNC(C)C 7a_106832991635_100000210206 [2,0,0,0,0,0|1,0,1]=4 1706 B4R0.1 COC(C)C 34a_100000212225_200000210301 [2,0,0,0,0,0|1,0,1]=4 1707 B4R0.1 COC(C)C 34a_100138415774_100000210206 [2,0,0,0,0,0|1,0,1]=4 1708 B4R0.1 CSC(C)C 62a_100000210206_200000210301 [2,0,0,0,0,0|1,0,1]=4 1709 B4R0.1 CSC(C)C 62a_200000210301_100000210206 [2,0,0,0,0,0|1,0,1]=4 1710 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [2,0,0,0,0,0|1,0,1]=4 1711 B4R0.2 C=CCNC 2230a_100020586998_200000210301 [2,0,0,0,0,0|1,0,1]=4 1712 B4R0.2 C=CCNC 2230a_106832991635_100000210623 [2,0,0,0,0,0|1,0,1]=4 1713 B4R0.2 C=CCNC 34a_100102657272_100015514636 [2,0,0,0,0,0|1,0,1]=4 1714 B4R0.2 C=CCNC 7a_106832991635_100015514636 [2,0,0,0,0,0|1,0,1]=4 1715 B4R0.2 C=CCN[13CH3] 2230a_100020586998_200025704644 [2,0,0,0,0,0|1,0,1]=4 1716 B4R0.2 C=CCOC 34a_100138415774_100015514636 [2,0,0,0,0,0|1,0,1]=4 1717 B4R0.2 C=CCOC 34a_200000210373_200000210301 [2,0,0,0,0,0|1,0,1]=4 1718 B4R0.2 C=CCO[13CH3] 34a_200000210373_200025704644 [2,0,0,0,0,0|1,0,1]=4 1719 B4R0.2 C=CCSC 62a_100000210623_200000210301 [2,0,0,0,0,0|1,0,1]=4 1720 B4R0.2 C=CCSC 62a_200000210301_100000210623 [2,0,0,0,0,0|1,0,1]=4 1721 B4R0.2 C=CCS[13CH3] 62a_100000210623_200025704644 [2,0,0,0,0,0|1,0,1]=4 1722 B4R0.2 C=CCS[13CH3] 62a_200025704644_100000210623 [2,0,0,0,0,0|1,0,1]=4 1723 B4R0.2 CCCNC 2230a_106832991635_100000210303 [2,0,0,0,0,0|1,0,0]=3 1724 B4R0.2 CCCNC 34a_100102657272_100000210303 [2,0,0,0,0,0|1,0,0]=3 1725 B4R0.2 CCCNC 7a_106832991635_100000210303 [2,0,0,0,0,0|1,0,0]=3 1726 B4R0.2 CCCOC 34a_100000210258_200000210301 [2,0,0,0,0,0|1,0,0]=3 1727 B4R0.2 CCCOC 34a_100138415774_100000210303 [2,0,0,0,0,0|1,0,0]=3 1728 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [2,0,0,0,0,0|1,0,0]=3 1729 B4R0.2 CCCSC 62a_100000210303_200000210301 [2,0,0,0,0,0|1,0,0]=3 1730 B4R0.2 CCCSC 62a_200000210301_100000210303 [2,0,0,0,0,0|1,0,0]=3 1731 B4R0.2 CCCS[13CH3] 62a_100000210303_200025704644 [2,0,0,0,0,0|1,0,0]=3 1732 B4R0.2 CCCS[13CH3] 62a_200025704644_100000210303 [2,0,0,0,0,0|1,0,0]=3 1733 B4R0.2 CCNCC 2230a_100015525214_100000210202 [2,0,0,0,0,0|1,0,0]=3 1734 B4R0.2 CCOCC 34a_100121572206_100000210202 [2,0,0,0,0,0|1,0,0]=3 1735 B4R0.2 CCOCF 34a_100121572206_100015361967 [2,0,0,0,0,0|2,0,0]=4 1736 B4R0.2 CCSCC 62a_100000210202_100000210202 [2,0,0,0,0,0|1,0,0]=3 1737 B4R0.2 CCSCF 62a_100000210202_100015361967 [2,0,0,0,0,0|2,0,0]=4 1738 B4R0.2 CCSCF 62a_100015361967_100000210202 [2,0,0,0,0,0|2,0,0]=4 1739 B4R0.2 CNCC=O 2230a_106832991635_200015260668 [2,0,0,0,0,0|1,0,0]=3 1740 B4R0.2 CNCC=O 34a_100102657272_200009817547 [2,0,0,0,0,0|1,0,0]=3 1741 B4R0.2 CNCC=O 7a_106832991635_200015260668 [2,0,0,0,0,0|1,0,0]=3 1742 B4R0.2 CNCCF 2230a_106832991635_100011217306 [2,0,0,0,0,0|2,0,0]=4 1743 B4R0.2 CNCCF 34a_100000724931_200000210301 [2,0,0,0,0,0|2,0,0]=4 1744 B4R0.2 CNCCF 34a_100102657272_100011217306 [2,0,0,0,0,0|2,0,0]=4 1745 B4R0.2 CNCCF 7a_106832991635_100011217306 [2,0,0,0,0,0|2,0,0]=4 1746 B4R0.2 CNCCO 2230a_100016997473_200000210301 [2,0,0,0,0,0|1,0,1]=4 1747 B4R0.2 CNCCO 2230a_106832991635_100000211926 [2,0,0,0,0,0|1,0,1]=4 1748 B4R0.2 CNCCO 34a_100016990907_200000210301 [2,0,0,0,0,0|1,0,1]=4 1749 B4R0.2 CNCCO 34a_100102657272_100000211926 [2,0,0,0,0,0|1,0,1]=4 1750 B4R0.2 CNCCO 7a_106832991635_100000211926 [2,0,0,0,0,0|1,0,1]=4 1751 B4R0.2 CNCOC 2230a_106832991635_100000766300 [2,0,0,0,0,0|2,0,0]=4 1752 B4R0.2 CNCSC 2230a_106832991635_100011218213 [2,0,0,0,0,0|2,0,0]=4 1753 B4R0.2 CNCSC 34a_100102657272_100011218213 [2,0,0,0,0,0|2,0,0]=4 1754 B4R0.2 COCC=O 34a_100138415774_200009817547 [2,0,0,0,0,0|1,0,0]=3 1755 B4R0.2 COCCBr 34a_100000211926_200000210301 [2,0,0,0,0,0|2,0,0]=4 1756 B4R0.2 COCCF 34a_100138415774_100011217306 [2,0,0,0,0,0|2,0,0]=4 1757 B4R0.2 COCCN 34a_100000210304_200000210301 [2,0,0,0,0,0|2,0,0]=4 1758 B4R0.2 COCCO 34a_100138415774_100000211926 [2,0,0,0,0,0|1,0,1]=4 1759 B4R0.2 COCSC 34a_100138415774_100011218213 [2,0,0,0,0,0|2,0,0]=4 1760 B4R0.2 COCSC 62a_100000766300_200000210301 [2,0,0,0,0,0|2,0,0]=4 1761 B4R0.2 COCSC 62a_200000210301_100000766300 [2,0,0,0,0,0|2,0,0]=4 1762 B4R0.2 COCS[13CH3] 62a_100000766300_200025704644 [2,0,0,0,0,0|2,0,0]=4 1763 B4R0.2 COCS[13CH3] 62a_200025704644_100000766300 [2,0,0,0,0,0|2,0,0]=4 1764 B4R0.2 CSCC=O 62a_200000210301_200015260668 [2,0,0,0,0,0|1,0,0]=3 1765 B4R0.2 CSCC=O 62a_200015260668_200000210301 [2,0,0,0,0,0|1,0,0]=3 1766 B4R0.2 CSCCF 62a_100011217306_200000210301 [2,0,0,0,0,0|2,0,0]=4 1767 B4R0.2 CSCCF 62a_200000210301_100011217306 [2,0,0,0,0,0|2,0,0]=4 1768 B4R0.2 CSCCO 62a_100000211926_200000210301 [2,0,0,0,0,0|1,0,1]=4 1769 B4R0.2 CSCCO 62a_200000210301_100000211926 [2,0,0,0,0,0|1,0,1]=4 1770 B4R0.2 CSCSC 62a_100011218213_200000210301 [2,0,0,0,0,0|2,0,0]=4 1771 B4R0.2 CSCSC 62a_200000210301_100011218213 [2,0,0,0,0,0|2,0,0]=4 1772 B4R0.2 CSCS[13CH3] 62a_100011218213_200025704644 [2,0,0,0,0,0|2,0,0]=4 1773 B4R0.2 CSCS[13CH3] 62a_200025704644_100011218213 [2,0,0,0,0,0|2,0,0]=4 1774 B4R0.2 [13CH3]NCCF 34a_100000724931_200025704644 [2,0,0,0,0,0|2,0,0]=4 1775 B4R0.2 [13CH3]NCCO 2230a_100016997473_200025704644 [2,0,0,0,0,0|1,0,1]=4 1776 B4R0.2 [13CH3]NCCO 34a_100016990907_200025704644 [2,0,0,0,0,0|1,0,1]=4 1777 B4R0.2 [13CH3]OCCBr 34a_100000211926_200025704644 [2,0,0,0,0,0|2,0,0]=4 1778 B4R0.2 [13CH3]OCCN 34a_100000210304_200025704644 [2,0,0,0,0,0|2,0,0]=4 1779 B4R0.2 [13CH3]SCC=O 62a_200015260668_200025704644 [2,0,0,0,0,0|1,0,0]=3 1780 B4R0.2 [13CH3]SCC=O 62a_200025704644_200015260668 [2,0,0,0,0,0|1,0,0]=3 1781 B4R0.2 [13CH3]SCCF 62a_100011217306_200025704644 [2,0,0,0,0,0|2,0,0]=4 1782 B4R0.2 [13CH3]SCCF 62a_200025704644_100011217306 [2,0,0,0,0,0|2,0,0]=4 1783 B4R0.2 [13CH3]SCCO 62a_100000211926_200025704644 [2,0,0,0,0,0|1,0,1]=4 1784 B4R0.2 [13CH3]SCCO 62a_200025704644_100000211926 [2,0,0,0,0,0|1,0,1]=4 1785 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [1,1,0,0,0,0|0,0,2]=4 1786 B6R0.2 C=C(C)CN(C)C 2230a_100000225649_200000210301 [1,1,0,0,0,0|1,0,1]=4 1787 B6R0.2 C=C(C)CN(C)C 2230a_100102631434_100000748629 [1,1,0,0,0,0|1,0,1]=4 1788 B6R0.2 C=C(C)CN(C)C 269982a_100000225649_200000210301 [1,1,0,0,0,0|1,0,1]=4 1789 B6R0.2 C=C(C)CN(C)C 269982a_100102631434_100000748629 [1,1,0,0,0,0|1,0,1]=4 1790 B6R0.2 C=C(C)CN(C)[13CH3] 2230a_100000225649_200025704644 [1,1,0,0,0,0|1,0,1]=4 1791 B6R0.2 C=C(C)CN(C)[13CH3] 269982a_100000225649_200025704644 [1,1,0,0,0,0|1,0,1]=4 1792 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [1,1,0,0,0,0|0,0,1]=3 1793 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [1,1,0,0,0,0|0,0,1]=3 1794 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [1,1,0,0,0,0|0,0,1]=3 1795 B6R0.2 CC(=O)CC(F)F 1458a_100000070787_100011934356 [1,1,0,0,0,0|1,0,1]=4 1796 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [1,1,0,0,0,0|1,0,1]=4 1797 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [1,1,0,0,0,0|0,0,1]=3 1798 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [1,1,0,0,0,0|1,0,1]=4 1799 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [1,1,0,0,0,0|1,0,1]=4 1800 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [1,1,0,0,0,0|1,0,1]=4 1801 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [1,1,0,0,0,0|1,0,1]=4 1802 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [1,1,0,0,0,0|1,0,1]=4 1803 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [1,1,0,0,0,0|0,0,1]=3 1804 B6R0.2 CC(C)CN(C)C 2230a_100000747067_200000210301 [1,1,0,0,0,0|1,0,1]=4 1805 B6R0.2 CC(C)CN(C)C 2230a_100102631434_100000210760 [1,1,0,0,0,0|1,0,1]=4 1806 B6R0.2 CC(C)CN(C)C 269982a_100000747067_200000210301 [1,1,0,0,0,0|1,0,1]=4 1807 B6R0.2 CC(C)CN(C)C 269982a_100102631434_100000210624 [1,1,0,0,0,0|1,0,1]=4 1808 B6R0.2 CC(C)CN(C)C 270004a_100102631434_100000210432 [1,1,0,0,0,0|1,0,1]=4 1809 B6R0.2 CC(C)CN(C)[13CH3] 2230a_100000747067_200025704644 [1,1,0,0,0,0|1,0,1]=4 1810 B6R0.2 CC(C)CN(C)[13CH3] 269982a_100000747067_200025704644 [1,1,0,0,0,0|1,0,1]=4 1811 B6R0.2 CC(C)NC(C)C 2230a_100138425928_100000210206 [1,1,0,0,0,0|1,0,1]=4 1812 B6R0.2 CC(C)NC(C)C 34a_100138425928_100000210206 [1,1,0,0,0,0|1,0,1]=4 1813 B6R0.2 CC(C)OC(C)C 34a_100000212225_100000210206 [1,1,0,0,0,0|1,0,1]=4 1814 B6R0.2 CC(C)SC(C)C 62a_100000210206_100000210206 [1,1,0,0,0,0|1,0,1]=4 1815 B6R0.2 CC(O)CN(C)C 2230a_100000227577_200000210301 [1,1,0,0,0,0|1,0,1]=4 1816 B6R0.2 CC(O)CN(C)C 2230a_100102631434_100011218427 [1,1,0,0,0,0|1,0,1]=4 1817 B6R0.2 CC(O)CN(C)C 269982a_100000227577_200000210301 [1,1,0,0,0,0|1,0,1]=4 1818 B6R0.2 CC(O)CN(C)C 269982a_100102631434_100011218427 [1,1,0,0,0,0|1,0,1]=4 1819 B6R0.2 CC(O)CN(C)[13CH3] 2230a_100000227577_200025704644 [1,1,0,0,0,0|1,0,1]=4 1820 B6R0.2 CC(O)CN(C)[13CH3] 269982a_100000227577_200025704644 [1,1,0,0,0,0|1,0,1]=4 1821 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [1,1,0,0,0,0|1,0,1]=4 1822 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [1,1,0,0,0,0|0,0,1]=3 1823 B6R0.2 C[C@@H](O)CN(C)C 2230a_100102631434_100009817552 [1,1,0,0,0,0|1,0,1]=4 1824 B6R0.2 C[C@@H](O)CN(C)C 269982a_100102631434_100009817552 [1,1,0,0,0,0|1,0,1]=4 1825 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [1,1,0,0,0,0|1,0,1]=4 1826 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [1,1,0,0,0,0|0,0,2]=4 1827 B6R0.3 C=C(C)C(C)NC 269862a_106832991636_100011216138 [1,1,0,0,0,0|1,0,1]=4 1828 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [1,1,0,0,0,0|1,0,1]=4 1829 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [1,1,0,0,0,0|1,0,1]=4 1830 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [1,1,0,0,0,0|1,0,1]=4 1831 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [1,1,0,0,0,0|1,0,1]=4 1832 B6R0.3 CC(C)C(C)N[13CH3] 2230a_100000211541_200025704644 [1,1,0,0,0,0|1,0,1]=4 1833 B6R0.3 CC(C)C(C)O[13CH3] 7a_100000748068_200025704644 [1,1,0,0,0,0|1,0,1]=4 1834 B6R0.3 CCC(=O)C(C)C 1458a_100000210198_100000210202 [1,1,0,0,0,0|0,0,2]=4 1835 B6R0.3 CCC(=O)C(C)C 1458a_100000210414_100000210206 [1,1,0,0,0,0|0,0,2]=4 1836 B6R0.3 CCC(=O)C(C)F 1458a_100000062450_100000210202 [1,1,0,0,0,0|1,0,1]=4 1837 B6R0.3 CCC(=O)[C@@H](C)O 1458a_100000717761_100000210202 [1,1,0,0,0,0|0,0,2]=4 1838 B6R0.3 CCC(=O)[C@H](C)O 1458a_217856618621_100000210202 [1,1,0,0,0,0|0,0,2]=4 1839 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [1,1,0,0,0,0|0,0,1]=3 1840 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [1,1,0,0,0,0|0,0,1]=3 1841 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [1,1,0,0,0,0|0,0,1]=3 1842 B6R0.3 CCC(C)N(C)C 2230a_100000741768_200000210301 [1,1,0,0,0,0|1,0,1]=4 1843 B6R0.3 CCC(C)N(C)C 2230a_100102631434_100000758301 [1,1,0,0,0,0|1,0,1]=4 1844 B6R0.3 CCC(C)N(C)C 269982a_100000741768_200000210301 [1,1,0,0,0,0|1,0,1]=4 1845 B6R0.3 CCC(C)N(C)C 269982a_100102631434_100000758301 [1,1,0,0,0,0|1,0,1]=4 1846 B6R0.3 CCC(C)N(C)[13CH3] 2230a_100000741768_200025704644 [1,1,0,0,0,0|1,0,1]=4 1847 B6R0.3 CCC(C)N(C)[13CH3] 269982a_100000741768_200025704644 [1,1,0,0,0,0|1,0,1]=4 1848 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [1,1,0,0,0,0|0,0,1]=3 1849 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [1,1,0,0,0,0|0,0,1]=3 1850 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [1,1,0,0,0,0|1,0,1]=4 1851 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [1,1,0,0,0,0|1,0,1]=4 1852 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [1,1,0,0,0,0|1,0,1]=4 1853 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [1,1,0,0,0,0|1,0,1]=4 1854 B6R0.3 CCN(C)C(C)C 2230a_100000223864_200000210301 [1,1,0,0,0,0|1,0,1]=4 1855 B6R0.3 CCN(C)C(C)C 2230a_100000225621_100000210206 [1,1,0,0,0,0|1,0,1]=4 1856 B6R0.3 CCN(C)C(C)C 269982a_100000223864_200000210301 [1,1,0,0,0,0|1,0,1]=4 1857 B6R0.3 CCN(C)C(C)C 269982a_100000225621_100000210206 [1,1,0,0,0,0|1,0,1]=4 1858 B6R0.3 CCN(C)C(C)C 269982a_200000211004_100000204670 [1,1,0,0,0,0|1,0,1]=4 1859 B6R0.3 CCN([13CH3])C(C)C 2230a_100000223864_200025704644 [1,1,0,0,0,0|1,0,1]=4 1860 B6R0.3 CCN([13CH3])C(C)C 269982a_100000223864_200025704644 [1,1,0,0,0,0|1,0,1]=4 1861 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [1,1,0,0,0,0|1,0,1]=4 1862 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [1,1,0,0,0,0|1,0,1]=4 1863 B6R0.3 CNC(C)C(C)C 2230a_100000211541_200000210301 [1,1,0,0,0,0|1,0,1]=4 1864 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [1,1,0,0,0,0|1,0,1]=4 1865 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [1,1,0,0,0,0|1,0,1]=4 1866 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [1,1,0,0,0,0|1,0,1]=4 1867 B6R0.3 COC(C)C(C)C 7a_100000748068_200000210301 [1,1,0,0,0,0|1,0,1]=4 1868 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [1,1,0,0,0,0|1,0,1]=4 1869 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [1,1,0,0,0,0|1,0,1]=4 1870 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [1,1,0,0,0,0|1,0,1]=4 1871 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [1,1,0,0,0,0|1,0,1]=4 1872 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [1,1,0,0,0,0|1,0,1]=4 1873 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [1,1,0,0,0,0|0,0,2]=4 1874 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [1,1,0,0,0,0|0,0,2]=4 1875 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [1,1,0,0,0,0|0,0,2]=4 1876 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [1,1,0,0,0,0|0,0,2]=4 1877 B6R0.4 C=C(Br)CCOC 34a_100009813270_200000210301 [1,1,0,0,0,0|1,0,1]=4 1878 B6R0.4 C=C(Br)CCO[13CH3] 34a_100009813270_200025704644 [1,1,0,0,0,0|1,0,1]=4 1879 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [1,1,0,0,0,0|0,0,1]=3 1880 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [1,1,0,0,0,0|0,0,1]=3 1881 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [1,1,0,0,0,0|0,0,1]=3 1882 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [1,1,0,0,0,0|0,0,1]=3 1883 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [1,1,0,0,0,0|0,0,1]=3 1884 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [1,1,0,0,0,0|0,0,1]=3 1885 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [1,1,0,0,0,0|0,0,1]=3 1886 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [1,1,0,0,0,0|0,0,1]=3 1887 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [1,1,0,0,0,0|0,0,1]=3 1888 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [1,1,0,0,0,0|0,0,1]=3 1889 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [1,1,0,0,0,0|0,0,1]=3 1890 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [1,1,0,0,0,0|0,0,1]=3 1891 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [1,1,0,0,0,0|0,0,1]=3 1892 B6R0.4 C=C(C)COCF 34a_100000210245_100015361967 [1,1,0,0,0,0|1,0,1]=4 1893 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [1,1,0,0,0,0|0,0,1]=3 1894 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [1,1,0,0,0,0|0,0,1]=3 1895 B6R0.4 C=C(C)CSCF 62a_100000748629_100015361967 [1,1,0,0,0,0|1,0,1]=4 1896 B6R0.4 C=C(C)CSCF 62a_100015361967_100000211660 [1,1,0,0,0,0|1,0,1]=4 1897 B6R0.4 C=C(F)CNCC 2230a_100015525214_100009893438 [1,1,0,0,0,0|1,0,1]=4 1898 B6R0.4 C=C(F)COCC 34a_100121572206_100009893438 [1,1,0,0,0,0|1,0,1]=4 1899 B6R0.4 C=C(F)COCC 34a_200010262243_100000210202 [1,1,0,0,0,0|1,0,1]=4 1900 B6R0.4 C=C(F)CSCC 62a_100000042424_100000210202 [1,1,0,0,0,0|1,0,1]=4 1901 B6R0.4 C=C(F)CSCC 62a_100000210202_100000042424 [1,1,0,0,0,0|1,0,1]=4 1902 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [1,1,0,0,0,0|0,0,2]=4 1903 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [1,1,0,0,0,0|0,0,2]=4 1904 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [1,1,0,0,0,0|0,0,2]=4 1905 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [1,1,0,0,0,0|0,0,2]=4 1906 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [1,1,0,0,0,0|0,0,2]=4 1907 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [1,1,0,0,0,0|0,0,2]=4 1908 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [1,1,0,0,0,0|0,0,1]=3 1909 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [1,1,0,0,0,0|0,0,1]=3 1910 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [1,1,0,0,0,0|0,0,1]=3 1911 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [1,1,0,0,0,0|0,0,1]=3 1912 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [1,1,0,0,0,0|0,0,1]=3 1913 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [1,1,0,0,0,0|0,0,1]=3 1914 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [1,1,0,0,0,0|1,0,1]=4 1915 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [1,1,0,0,0,0|1,0,1]=4 1916 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [1,1,0,0,0,0|1,0,1]=4 1917 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [1,1,0,0,0,0|1,0,1]=4 1918 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [1,1,0,0,0,0|1,0,1]=4 1919 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [1,1,0,0,0,0|1,0,1]=4 1920 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [1,1,0,0,0,0|1,0,1]=4 1921 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [1,1,0,0,0,0|1,0,1]=4 1922 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [1,1,0,0,0,0|1,0,1]=4 1923 B6R0.4 CC(Br)CCO[13CH3] 34a_100009893172_200025704644 [1,1,0,0,0,0|1,0,0]=3 1924 B6R0.4 CC(Br)COCF 34a_100012180447_100015361967 [1,1,0,0,0,0|2,0,0]=4 1925 B6R0.4 CC(C)CCO[13CH3] 34a_100000210254_200025704644 [1,1,0,0,0,0|0,0,1]=3 1926 B6R0.4 CC(C)CCO[13CH3] 7a_100000210254_200025704644 [1,1,0,0,0,0|0,0,1]=3 1927 B6R0.4 CC(C)CCS[13CH3] 62a_100000210312_200025704644 [1,1,0,0,0,0|0,0,1]=3 1928 B6R0.4 CC(C)CCS[13CH3] 62a_200025704644_100000210312 [1,1,0,0,0,0|0,0,1]=3 1929 B6R0.4 CC(C)CNCF 34a_100000210953_100015361967 [1,1,0,0,0,0|1,0,1]=4 1930 B6R0.4 CC(C)COCF 34a_100000210257_100015361967 [1,1,0,0,0,0|1,0,1]=4 1931 B6R0.4 CC(C)CSCF 62a_100000210624_100015361967 [1,1,0,0,0,0|1,0,1]=4 1932 B6R0.4 CC(C)CSCF 62a_100015361967_100000210760 [1,1,0,0,0,0|1,0,1]=4 1933 B6R0.4 CC(C)NCCF 2230a_100138425928_100011217306 [1,1,0,0,0,0|1,0,1]=4 1934 B6R0.4 CC(C)NCCF 34a_100000724931_100000210206 [1,1,0,0,0,0|1,0,1]=4 1935 B6R0.4 CC(C)NCCF 34a_100138425928_100011217306 [1,1,0,0,0,0|1,0,1]=4 1936 B6R0.4 CC(C)NCCO 2230a_100016997473_100000210206 [1,1,0,0,0,0|1,0,1]=4 1937 B6R0.4 CC(C)NCCO 2230a_100138425928_100000211926 [1,1,0,0,0,0|1,0,1]=4 1938 B6R0.4 CC(C)NCCO 34a_100016990907_100000210206 [1,1,0,0,0,0|1,0,1]=4 1939 B6R0.4 CC(C)NCCO 34a_100138425928_100000211926 [1,1,0,0,0,0|1,0,1]=4 1940 B6R0.4 CC(C)OCCBr 34a_100000211926_100000210206 [1,1,0,0,0,0|1,0,1]=4 1941 B6R0.4 CC(C)OCCF 34a_100000212225_100011217306 [1,1,0,0,0,0|1,0,1]=4 1942 B6R0.4 CC(C)OCCN 34a_100000210304_100000210206 [1,1,0,0,0,0|1,0,1]=4 1943 B6R0.4 CC(C)OCCO 34a_100000212225_100000211926 [1,1,0,0,0,0|1,0,1]=4 1944 B6R0.4 CC(C)OCS[13CH3] 62a_100000709892_200025704644 [1,1,0,0,0,0|1,0,1]=4 1945 B6R0.4 CC(C)OCS[13CH3] 62a_200025704644_100000709892 [1,1,0,0,0,0|1,0,1]=4 1946 B6R0.4 CC(C)SCCF 62a_100000210206_100011217306 [1,1,0,0,0,0|1,0,1]=4 1947 B6R0.4 CC(C)SCCF 62a_100011217306_100000210206 [1,1,0,0,0,0|1,0,1]=4 1948 B6R0.4 CC(C)SCCO 62a_100000210206_100000211926 [1,1,0,0,0,0|1,0,1]=4 1949 B6R0.4 CC(C)SCCO 62a_100000211926_100000210206 [1,1,0,0,0,0|1,0,1]=4 1950 B6R0.4 CC(F)COCF 34a_100015925927_100015361967 [1,1,0,0,0,0|2,0,0]=4 1951 B6R0.4 CC(O)CCN[13CH3] 2230a_200000755665_200025704644 [1,1,0,0,0,0|0,0,1]=3 1952 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [1,1,0,0,0,0|0,0,1]=3 1953 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [1,1,0,0,0,0|0,0,1]=3 1954 B6R0.4 CC(O)CNCF 34a_100000210904_100015361967 [1,1,0,0,0,0|1,0,1]=4 1955 B6R0.4 CC(O)CSCF 62a_100011218427_100015361967 [1,1,0,0,0,0|1,0,1]=4 1956 B6R0.4 CC(O)CSCF 62a_100015361967_100011218427 [1,1,0,0,0,0|1,0,1]=4 1957 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [1,1,0,0,0,0|0,0,2]=4 1958 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [1,1,0,0,0,0|0,0,2]=4 1959 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [1,1,0,0,0,0|0,0,2]=4 1960 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [1,1,0,0,0,0|0,0,2]=4 1961 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [1,1,0,0,0,0|0,0,2]=4 1962 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [1,1,0,0,0,0|0,0,2]=4 1963 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [1,1,0,0,0,0|0,0,2]=4 1964 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [1,1,0,0,0,0|0,0,1]=3 1965 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [1,1,0,0,0,0|0,0,1]=3 1966 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [1,1,0,0,0,0|0,0,1]=3 1967 B6R0.4 CCCCN(C)C 2230a_100000207549_200000210301 [1,1,0,0,0,0|1,0,1]=4 1968 B6R0.4 CCCCN(C)C 2230a_100102631434_100000210211 [1,1,0,0,0,0|1,0,1]=4 1969 B6R0.4 CCCCN(C)C 269982a_100000207549_200000210301 [1,1,0,0,0,0|1,0,1]=4 1970 B6R0.4 CCCCN(C)C 269982a_100102631434_100000210211 [1,1,0,0,0,0|1,0,1]=4 1971 B6R0.4 CCCCN(C)[13CH3] 2230a_100000207549_200025704644 [1,1,0,0,0,0|1,0,1]=4 1972 B6R0.4 CCCCN(C)[13CH3] 269982a_100000207549_200025704644 [1,1,0,0,0,0|1,0,1]=4 1973 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [1,1,0,0,0,0|0,0,1]=3 1974 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [1,1,0,0,0,0|0,0,1]=3 1975 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [1,1,0,0,0,0|0,0,1]=3 1976 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [1,1,0,0,0,0|0,0,1]=3 1977 B6R0.4 CCCNC(C)C 2230a_100138425928_100000210303 [1,1,0,0,0,0|0,0,1]=3 1978 B6R0.4 CCCNC(C)C 34a_100138425928_100000210303 [1,1,0,0,0,0|0,0,1]=3 1979 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [1,1,0,0,0,0|0,0,1]=3 1980 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [1,1,0,0,0,0|0,0,1]=3 1981 B6R0.4 CCCSC(C)C 62a_100000210206_100000210303 [1,1,0,0,0,0|0,0,1]=3 1982 B6R0.4 CCCSC(C)C 62a_100000210303_100000210206 [1,1,0,0,0,0|0,0,1]=3 1983 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [1,1,0,0,0,0|1,0,1]=4 1984 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [1,1,0,0,0,0|1,0,1]=4 1985 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [1,1,0,0,0,0|1,0,1]=4 1986 B6R0.4 CCNCC(C)C 2230a_100000210953_100000210202 [1,1,0,0,0,0|0,0,1]=3 1987 B6R0.4 CCNCC(C)C 2230a_100015525214_100000210760 [1,1,0,0,0,0|0,0,1]=3 1988 B6R0.4 CCNCC(C)C 270004a_100015525214_100000210432 [1,1,0,0,0,0|0,0,1]=3 1989 B6R0.4 CCNCC(C)C 34a_100000210953_100000210202 [1,1,0,0,0,0|0,0,1]=3 1990 B6R0.4 CCNCC(C)O 2230a_100000210904_100000210202 [1,1,0,0,0,0|0,0,1]=3 1991 B6R0.4 CCNCC(C)O 2230a_100015525214_100011218427 [1,1,0,0,0,0|0,0,1]=3 1992 B6R0.4 CCNCC(C)O 34a_100000210904_100000210202 [1,1,0,0,0,0|0,0,1]=3 1993 B6R0.4 CCNCC(F)F 2230a_100015525214_100011934356 [1,1,0,0,0,0|2,0,0]=4 1994 B6R0.4 CCNCC(F)F 34a_100000765723_100000210202 [1,1,0,0,0,0|2,0,0]=4 1995 B6R0.4 CCNC[C@@H](C)O 2230a_100015525214_100009817552 [1,1,0,0,0,0|0,0,1]=3 1996 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [1,1,0,0,0,0|1,0,1]=4 1997 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [1,1,0,0,0,0|0,0,1]=3 1998 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [1,1,0,0,0,0|0,0,1]=3 1999 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [1,1,0,0,0,0|1,0,1]=4 2000 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [1,1,0,0,0,0|0,0,1]=3 2001 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [1,1,0,0,0,0|1,0,1]=4 2002 B6R0.4 CCOCC(C)Br 34a_100012180447_100000210202 [1,1,0,0,0,0|1,0,0]=3 2003 B6R0.4 CCOCC(C)C 34a_100000210257_100000210202 [1,1,0,0,0,0|0,0,1]=3 2004 B6R0.4 CCOCC(C)C 34a_100121572206_100000210624 [1,1,0,0,0,0|0,0,1]=3 2005 B6R0.4 CCOCC(C)F 34a_100015925927_100000210202 [1,1,0,0,0,0|1,0,0]=3 2006 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [1,1,0,0,0,0|0,0,1]=3 2007 B6R0.4 CCOCC(F)F 34a_100000743014_100000210202 [1,1,0,0,0,0|2,0,0]=4 2008 B6R0.4 CCOCC(F)F 34a_100121572206_100011934356 [1,1,0,0,0,0|2,0,0]=4 2009 B6R0.4 CCOCN(C)C 269982a_100102631434_100000739092 [1,1,0,0,0,0|1,0,1]=4 2010 B6R0.4 CCOC[C@@H](C)Cl 34a_100016084084_100000210202 [1,1,0,0,0,0|1,0,0]=3 2011 B6R0.4 CCOC[C@@H](C)N 34a_100000737577_100000210202 [1,1,0,0,0,0|1,0,0]=3 2012 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [1,1,0,0,0,0|0,0,1]=3 2013 B6R0.4 CCOC[N+](=O)[O-] 34a_100121572206_100000761209 [1,1,0,0,0,0|2,0,0]=4 2014 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [1,1,0,0,0,0|0,0,1]=3 2015 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [1,1,0,0,0,0|1,0,1]=4 2016 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [1,1,0,0,0,0|1,0,1]=4 2017 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [1,1,0,0,0,0|0,0,1]=3 2018 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [1,1,0,0,0,0|1,0,1]=4 2019 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [1,1,0,0,0,0|1,0,1]=4 2020 B6R0.4 CCSCC(C)C 62a_100000210202_100000210760 [1,1,0,0,0,0|0,0,1]=3 2021 B6R0.4 CCSCC(C)C 62a_100000210624_100000210202 [1,1,0,0,0,0|0,0,1]=3 2022 B6R0.4 CCSCC(C)O 62a_100000210202_100011218427 [1,1,0,0,0,0|0,0,1]=3 2023 B6R0.4 CCSCC(C)O 62a_100011218427_100000210202 [1,1,0,0,0,0|0,0,1]=3 2024 B6R0.4 CCSCC(F)F 62a_100000210202_100011934356 [1,1,0,0,0,0|2,0,0]=4 2025 B6R0.4 CCSCC(F)F 62a_100011934356_100000210202 [1,1,0,0,0,0|2,0,0]=4 2026 B6R0.4 CCSC[C@@H](C)O 62a_100000210202_100009817552 [1,1,0,0,0,0|0,0,1]=3 2027 B6R0.4 CCSC[C@@H](C)O 62a_100009817552_100000210202 [1,1,0,0,0,0|0,0,1]=3 2028 B6R0.4 CCSC[N+](=O)[O-] 62a_100000210202_100000761209 [1,1,0,0,0,0|2,0,0]=4 2029 B6R0.4 CN(C)CCCF 2230a_100102631434_100011934791 [1,1,0,0,0,0|1,0,1]=4 2030 B6R0.4 CN(C)CCCF 269982a_100102631434_100011934791 [1,1,0,0,0,0|1,0,1]=4 2031 B6R0.4 CN(C)CCCO 2230a_100000213112_200000210301 [1,1,0,0,0,0|1,0,1]=4 2032 B6R0.4 CN(C)CCCO 2230a_100102631434_100000230001 [1,1,0,0,0,0|1,0,1]=4 2033 B6R0.4 CN(C)CCCO 269982a_100000213112_200000210301 [1,1,0,0,0,0|1,0,1]=4 2034 B6R0.4 CN(C)CCCO 269982a_100102631434_100011215043 [1,1,0,0,0,0|1,0,1]=4 2035 B6R0.4 CN(C)CCS[13CH3] 62a_200025704644_100000755713 [1,1,0,0,0,0|1,0,1]=4 2036 B6R0.4 CN([13CH3])CCCO 2230a_100000213112_200025704644 [1,1,0,0,0,0|1,0,1]=4 2037 B6R0.4 CN([13CH3])CCCO 269982a_100000213112_200025704644 [1,1,0,0,0,0|1,0,1]=4 2038 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [1,1,0,0,0,0|0,0,1]=3 2039 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [1,1,0,0,0,0|1,0,1]=4 2040 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [1,1,0,0,0,0|1,0,1]=4 2041 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [1,1,0,0,0,0|1,0,1]=4 2042 B6R0.4 CNCCC(C)C 2230a_106832991635_100000210312 [1,1,0,0,0,0|0,0,1]=3 2043 B6R0.4 CNCCC(C)C 269862a_106832991636_100000185833 [1,1,0,0,0,0|0,0,1]=3 2044 B6R0.4 CNCCC(C)C 34a_100102657272_100000210312 [1,1,0,0,0,0|0,0,1]=3 2045 B6R0.4 CNCCC(C)C 7a_106832991635_100000210626 [1,1,0,0,0,0|0,0,1]=3 2046 B6R0.4 CNCCC(C)O 2230a_106832991635_100012276601 [1,1,0,0,0,0|0,0,1]=3 2047 B6R0.4 CNCCC(C)O 2230a_200000755665_200000210301 [1,1,0,0,0,0|0,0,1]=3 2048 B6R0.4 CNCCC(C)O 34a_100102657272_100012276601 [1,1,0,0,0,0|0,0,1]=3 2049 B6R0.4 CNCCC(C)O 7a_106832991635_100012276601 [1,1,0,0,0,0|0,0,1]=3 2050 B6R0.4 CNCCN(C)C 7a_106832991635_100000755713 [1,1,0,0,0,0|1,0,1]=4 2051 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [1,1,0,0,0,0|1,0,1]=4 2052 B6R0.4 CNCOC(C)C 2230a_106832991635_100000709892 [1,1,0,0,0,0|1,0,1]=4 2053 B6R0.4 CNCOC(C)C 34a_100102657272_100000709892 [1,1,0,0,0,0|1,0,1]=4 2054 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [1,1,0,0,0,0|0,0,1]=3 2055 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [1,1,0,0,0,0|0,0,1]=3 2056 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [1,1,0,0,0,0|0,0,1]=3 2057 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [1,1,0,0,0,0|0,0,1]=3 2058 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [1,1,0,0,0,0|1,0,1]=4 2059 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [1,1,0,0,0,0|1,0,1]=4 2060 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [1,1,0,0,0,0|1,0,1]=4 2061 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [1,1,0,0,0,0|0,0,1]=3 2062 B6R0.4 COCCC(C)Br 34a_100009893172_200000210301 [1,1,0,0,0,0|1,0,0]=3 2063 B6R0.4 COCCC(C)C 34a_100000210254_200000210301 [1,1,0,0,0,0|0,0,1]=3 2064 B6R0.4 COCCC(C)C 34a_100138415774_100000210312 [1,1,0,0,0,0|0,0,1]=3 2065 B6R0.4 COCCC(C)C 7a_100000210254_200000210301 [1,1,0,0,0,0|0,0,1]=3 2066 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [1,1,0,0,0,0|0,0,1]=3 2067 B6R0.4 COCCC(F)F 34a_100103093639_200000210301 [1,1,0,0,0,0|2,0,0]=4 2068 B6R0.4 COCCN(C)C 2230a_100000743101_200000210301 [1,1,0,0,0,0|1,0,1]=4 2069 B6R0.4 COCCN(C)C 2230a_100102631434_100011201679 [1,1,0,0,0,0|1,0,1]=4 2070 B6R0.4 COCCN(C)C 269982a_100000743101_200000210301 [1,1,0,0,0,0|1,0,1]=4 2071 B6R0.4 COCCN(C)C 269982a_100102631434_100000233755 [1,1,0,0,0,0|1,0,1]=4 2072 B6R0.4 COCCN(C)[13CH3] 2230a_100000743101_200025704644 [1,1,0,0,0,0|1,0,1]=4 2073 B6R0.4 COCCN(C)[13CH3] 269982a_100000743101_200025704644 [1,1,0,0,0,0|1,0,1]=4 2074 B6R0.4 COCC[C@@H](C)N 34a_100000706166_200000210301 [1,1,0,0,0,0|1,0,0]=3 2075 B6R0.4 COCNC(C)C 2230a_100138425928_100000766300 [1,1,0,0,0,0|1,0,1]=4 2076 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [1,1,0,0,0,0|1,0,1]=4 2077 B6R0.4 COCOC(C)C 34a_100138415774_100000709892 [1,1,0,0,0,0|1,0,1]=4 2078 B6R0.4 COCSC(C)C 62a_100000210206_100000766300 [1,1,0,0,0,0|1,0,1]=4 2079 B6R0.4 COCSC(C)C 62a_100000766300_100000210206 [1,1,0,0,0,0|1,0,1]=4 2080 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [1,1,0,0,0,0|0,0,1]=3 2081 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [1,1,0,0,0,0|0,0,1]=3 2082 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [1,1,0,0,0,0|0,0,1]=3 2083 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [1,1,0,0,0,0|0,0,1]=3 2084 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [1,1,0,0,0,0|1,0,1]=4 2085 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [1,1,0,0,0,0|1,0,1]=4 2086 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [1,1,0,0,0,0|0,0,1]=3 2087 B6R0.4 CSCCC(C)C 62a_100000210312_200000210301 [1,1,0,0,0,0|0,0,1]=3 2088 B6R0.4 CSCCC(C)C 62a_200000210301_100000210312 [1,1,0,0,0,0|0,0,1]=3 2089 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [1,1,0,0,0,0|0,0,1]=3 2090 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [1,1,0,0,0,0|0,0,1]=3 2091 B6R0.4 CSCCN(C)C 2230a_100000686725_200000210301 [1,1,0,0,0,0|1,0,1]=4 2092 B6R0.4 CSCCN(C)C 2230a_100102631434_100000751147 [1,1,0,0,0,0|1,0,1]=4 2093 B6R0.4 CSCCN(C)C 269982a_100000686725_200000210301 [1,1,0,0,0,0|1,0,1]=4 2094 B6R0.4 CSCCN(C)C 269982a_100102631434_100000212216 [1,1,0,0,0,0|1,0,1]=4 2095 B6R0.4 CSCCN(C)C 62a_200000210301_100000755713 [1,1,0,0,0,0|1,0,1]=4 2096 B6R0.4 CSCCN(C)[13CH3] 2230a_100000686725_200025704644 [1,1,0,0,0,0|1,0,1]=4 2097 B6R0.4 CSCCN(C)[13CH3] 269982a_100000686725_200025704644 [1,1,0,0,0,0|1,0,1]=4 2098 B6R0.4 CSCNC(C)C 2230a_100138425928_100011218213 [1,1,0,0,0,0|1,0,1]=4 2099 B6R0.4 CSCNC(C)C 34a_100138425928_100011218213 [1,1,0,0,0,0|1,0,1]=4 2100 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [1,1,0,0,0,0|1,0,1]=4 2101 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [1,1,0,0,0,0|1,0,1]=4 2102 B6R0.4 CSCOC(C)C 34a_100000212225_100011218213 [1,1,0,0,0,0|1,0,1]=4 2103 B6R0.4 CSCOC(C)C 62a_100000709892_200000210301 [1,1,0,0,0,0|1,0,1]=4 2104 B6R0.4 CSCOC(C)C 62a_200000210301_100000709892 [1,1,0,0,0,0|1,0,1]=4 2105 B6R0.4 CSCSC(C)C 62a_100000210206_100011218213 [1,1,0,0,0,0|1,0,1]=4 2106 B6R0.4 CSCSC(C)C 62a_100011218213_100000210206 [1,1,0,0,0,0|1,0,1]=4 2107 B6R0.4 C[C@@H](Cl)COCF 34a_100016084084_100015361967 [1,1,0,0,0,0|2,0,0]=4 2108 B6R0.4 C[C@@H](N)CCO[13CH3] 34a_100000706166_200025704644 [1,1,0,0,0,0|1,0,0]=3 2109 B6R0.4 C[C@@H](N)COCF 34a_100000737577_100015361967 [1,1,0,0,0,0|2,0,0]=4 2110 B6R0.4 C[C@@H](O)CSCF 62a_100009817552_100015361967 [1,1,0,0,0,0|1,0,1]=4 2111 B6R0.4 C[C@@H](O)CSCF 62a_100015361967_100009817552 [1,1,0,0,0,0|1,0,1]=4 2112 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [1,1,0,0,0,0|0,0,2]=4 2113 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [1,1,0,0,0,0|1,0,1]=4 2114 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [1,1,0,0,0,0|1,0,1]=4 2115 B6R0.4 [13CH3]OCCC(F)F 34a_100103093639_200025704644 [1,1,0,0,0,0|2,0,0]=4 2116 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [1,1,0,0,0,0|1,0,1]=4 2117 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [1,1,0,0,0,0|1,0,1]=4 2118 B6R0.5 CC(C)(C)CN[13CH3] 2230a_100000743828_200025704644 [1,1,0,0,0,0|1,0,1]=4 2119 B6R0.5 CC(C)(C)CS[13CH3] 62a_100011219605_200025704644 [1,1,0,0,0,0|1,0,1]=4 2120 B6R0.5 CC(C)(C)CS[13CH3] 62a_200025704644_100011219605 [1,1,0,0,0,0|1,0,1]=4 2121 B6R0.5 CC(C)(F)CN[13CH3] 2230a_100020643315_200025704644 [1,1,0,0,0,0|1,0,1]=4 2122 B6R0.5 CC(C)(F)CO[13CH3] 34a_100000716592_200025704644 [1,1,0,0,0,0|1,0,1]=4 2123 B6R0.5 CC(C)(F)CS[13CH3] 62a_100011997219_200025704644 [1,1,0,0,0,0|1,0,1]=4 2124 B6R0.5 CC(C)(F)CS[13CH3] 62a_200025704644_100011997219 [1,1,0,0,0,0|1,0,1]=4 2125 B6R0.5 CC(C)(O)CN[13CH3] 2230a_100000751335_200025704644 [1,1,0,0,0,0|1,0,1]=4 2126 B6R0.5 CC(C)(O)CS[13CH3] 62a_100000764493_200025704644 [1,1,0,0,0,0|1,0,1]=4 2127 B6R0.5 CC(C)(O)CS[13CH3] 62a_200025704644_100000764493 [1,1,0,0,0,0|1,0,1]=4 2128 B6R0.5 CC(F)(F)CO[13CH3] 34a_100000068830_200025704644 [1,1,0,0,0,0|2,0,0]=4 2129 B6R0.5 CCNC(C)(C)C 2230a_100000715429_100000210202 [1,1,0,0,0,0|1,0,1]=4 2130 B6R0.5 CCNS(=O)(=O)C 40a_100015525214_100000738038 [1,1,0,0,0,0|2,0,0]=4 2131 B6R0.5 CCOC(C)(C)C 34a_100015890283_100000210202 [1,1,0,0,0,0|1,0,1]=4 2132 B6R0.5 CCOC(C)(C)C 34a_100121572206_100000210625 [1,1,0,0,0,0|1,0,1]=4 2133 B6R0.5 CCOC(C)(C)C 7a_100015890283_100000210202 [1,1,0,0,0,0|1,0,1]=4 2134 B6R0.5 CCSC(C)(C)C 62a_100000210202_100000211941 [1,1,0,0,0,0|1,0,1]=4 2135 B6R0.5 CCSC(C)(C)C 62a_100000211941_100000210202 [1,1,0,0,0,0|1,0,1]=4 2136 B6R0.5 CNCC(C)(C)C 2230a_100000743828_200000210301 [1,1,0,0,0,0|1,0,1]=4 2137 B6R0.5 CNCC(C)(C)C 270004a_106832991635_100011204126 [1,1,0,0,0,0|1,0,1]=4 2138 B6R0.5 CNCC(C)(C)C 34a_100102657272_100011219605 [1,1,0,0,0,0|1,0,1]=4 2139 B6R0.5 CNCC(C)(C)F 2230a_100020643315_200000210301 [1,1,0,0,0,0|1,0,1]=4 2140 B6R0.5 CNCC(C)(C)F 34a_100102657272_100011997219 [1,1,0,0,0,0|1,0,1]=4 2141 B6R0.5 CNCC(C)(C)O 2230a_100000751335_200000210301 [1,1,0,0,0,0|1,0,1]=4 2142 B6R0.5 CNCC(C)(C)O 34a_100102657272_100000764493 [1,1,0,0,0,0|1,0,1]=4 2143 B6R0.5 CNCC(C)(C)O 7a_106832991635_100000764493 [1,1,0,0,0,0|1,0,1]=4 2144 B6R0.5 COCC(C)(C)C 34a_100138415774_100011219605 [1,1,0,0,0,0|1,0,1]=4 2145 B6R0.5 COCC(C)(C)F 34a_100000716592_200000210301 [1,1,0,0,0,0|1,0,1]=4 2146 B6R0.5 COCC(C)(C)F 34a_100138415774_100011997219 [1,1,0,0,0,0|1,0,1]=4 2147 B6R0.5 COCC(C)(C)O 34a_100138415774_100000764493 [1,1,0,0,0,0|1,0,1]=4 2148 B6R0.5 COCC(C)(F)F 34a_100000068830_200000210301 [1,1,0,0,0,0|2,0,0]=4 2149 B6R0.5 CSCC(C)(C)C 62a_100011219605_200000210301 [1,1,0,0,0,0|1,0,1]=4 2150 B6R0.5 CSCC(C)(C)C 62a_200000210301_100011219605 [1,1,0,0,0,0|1,0,1]=4 2151 B6R0.5 CSCC(C)(C)F 62a_100011997219_200000210301 [1,1,0,0,0,0|1,0,1]=4 2152 B6R0.5 CSCC(C)(C)F 62a_200000210301_100011997219 [1,1,0,0,0,0|1,0,1]=4 2153 B6R0.5 CSCC(C)(C)O 62a_100000764493_200000210301 [1,1,0,0,0,0|1,0,1]=4 2154 B6R0.5 CSCC(C)(C)O 62a_200000210301_100000764493 [1,1,0,0,0,0|1,0,1]=4 2155 B6R0.6 C#CCCCNC 2230a_106832991635_100000731252 [1,1,0,0,0,0|1,0,1]=4 2156 B6R0.6 C#CCCCNC 34a_100000718082_200000210301 [1,1,0,0,0,0|1,0,1]=4 2157 B6R0.6 C#CCCCNC 34a_100102657272_100000695029 [1,1,0,0,0,0|1,0,1]=4 2158 B6R0.6 C#CCCCNC 7a_106832991635_100011215417 [1,1,0,0,0,0|1,0,1]=4 2159 B6R0.6 C#CCCCN[13CH3] 34a_100000718082_200025704644 [1,1,0,0,0,0|1,0,1]=4 2160 B6R0.6 C#CCCCOC 34a_100000215630_200000210301 [1,1,0,0,0,0|1,0,1]=4 2161 B6R0.6 C#CCCCOC 34a_100138415774_100000695029 [1,1,0,0,0,0|1,0,1]=4 2162 B6R0.6 C#CCCCOC 7a_100000215630_200000210301 [1,1,0,0,0,0|1,0,1]=4 2163 B6R0.6 C#CCCCO[13CH3] 34a_100000215630_200025704644 [1,1,0,0,0,0|1,0,1]=4 2164 B6R0.6 C#CCCCO[13CH3] 7a_100000215630_200025704644 [1,1,0,0,0,0|1,0,1]=4 2165 B6R0.6 C#CCCCSC 62a_100011215417_200000210301 [1,1,0,0,0,0|1,0,1]=4 2166 B6R0.6 C#CCCCSC 62a_200000210301_100011215417 [1,1,0,0,0,0|1,0,1]=4 2167 B6R0.6 C#CCCCS[13CH3] 62a_100011215417_200025704644 [1,1,0,0,0,0|1,0,1]=4 2168 B6R0.6 C#CCCCS[13CH3] 62a_200025704644_100011215417 [1,1,0,0,0,0|1,0,1]=4 2169 B6R0.6 C#CCCNCC 2230a_100015525214_100000688953 [1,1,0,0,0,0|1,0,1]=4 2170 B6R0.6 C#CCCNCC 34a_100000755551_100000210202 [1,1,0,0,0,0|1,0,1]=4 2171 B6R0.6 C#CCCOCC 34a_100011215631_100000210202 [1,1,0,0,0,0|1,0,1]=4 2172 B6R0.6 C#CCCOCC 34a_100121572206_100000688953 [1,1,0,0,0,0|1,0,1]=4 2173 B6R0.6 C#CCCSCC 62a_100000210202_100000688953 [1,1,0,0,0,0|1,0,1]=4 2174 B6R0.6 C#CCCSCC 62a_100000688953_100000210202 [1,1,0,0,0,0|1,0,1]=4 2175 B6R0.6 C#CCNCC=O 34a_100000212058_200009817547 [1,1,0,0,0,0|0,0,2]=4 2176 B6R0.6 C#CCNCCC 34a_100000212058_100000210303 [1,1,0,0,0,0|1,0,1]=4 2177 B6R0.6 C#CCOCC=O 34a_100000210247_200009817547 [1,1,0,0,0,0|0,0,2]=4 2178 B6R0.6 C#CCOCCC 34a_100000210247_100000210303 [1,1,0,0,0,0|1,0,1]=4 2179 B6R0.6 C#CCOCCC 34a_100000210258_100000184674 [1,1,0,0,0,0|1,0,1]=4 2180 B6R0.6 C#CCSCC=O 62a_100000038162_200015260668 [1,1,0,0,0,0|0,0,2]=4 2181 B6R0.6 C#CCSCCC 62a_100000038162_100000210303 [1,1,0,0,0,0|1,0,1]=4 2182 B6R0.6 C/C=C/CCOC 34a_100016278192_200000210301 [1,1,0,0,0,0|1,0,1]=4 2183 B6R0.6 C/C=C/CCO[13CH3] 34a_100016278192_200025704644 [1,1,0,0,0,0|1,0,1]=4 2184 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [1,1,0,0,0,0|1,0,1]=4 2185 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [1,1,0,0,0,0|1,0,1]=4 2186 B6R0.6 C/C=C/CSCC 62a_100000210202_100102629194 [1,1,0,0,0,0|1,0,1]=4 2187 B6R0.6 C/C=C/CSCC 62a_100102629194_100000210202 [1,1,0,0,0,0|1,0,1]=4 2188 B6R0.6 C=CCCCNC 2230a_100000700776_200000210301 [1,1,0,0,0,0|1,0,0]=3 2189 B6R0.6 C=CCCCNC 2230a_106832991635_100011713584 [1,1,0,0,0,0|1,0,0]=3 2190 B6R0.6 C=CCCCNC 34a_100000700776_200000210301 [1,1,0,0,0,0|1,0,0]=3 2191 B6R0.6 C=CCCCNC 34a_100102657272_100000757094 [1,1,0,0,0,0|1,0,0]=3 2192 B6R0.6 C=CCCCNC 7a_106832991635_100000757094 [1,1,0,0,0,0|1,0,0]=3 2193 B6R0.6 C=CCCCN[13CH3] 2230a_100000700776_200025704644 [1,1,0,0,0,0|1,0,0]=3 2194 B6R0.6 C=CCCCN[13CH3] 34a_100000700776_200025704644 [1,1,0,0,0,0|1,0,0]=3 2195 B6R0.6 C=CCCCOC 34a_100000758997_200000210301 [1,1,0,0,0,0|1,0,0]=3 2196 B6R0.6 C=CCCCOC 34a_100138415774_100000757094 [1,1,0,0,0,0|1,0,0]=3 2197 B6R0.6 C=CCCCOC 7a_100000758997_200000210301 [1,1,0,0,0,0|1,0,0]=3 2198 B6R0.6 C=CCCCO[13CH3] 34a_100000758997_200025704644 [1,1,0,0,0,0|1,0,0]=3 2199 B6R0.6 C=CCCCO[13CH3] 7a_100000758997_200025704644 [1,1,0,0,0,0|1,0,0]=3 2200 B6R0.6 C=CCCCSC 62a_100011713584_200000210301 [1,1,0,0,0,0|1,0,0]=3 2201 B6R0.6 C=CCCCSC 62a_200000210301_100000757094 [1,1,0,0,0,0|1,0,0]=3 2202 B6R0.6 C=CCCCS[13CH3] 62a_100011713584_200025704644 [1,1,0,0,0,0|1,0,0]=3 2203 B6R0.6 C=CCCCS[13CH3] 62a_200025704644_100000757094 [1,1,0,0,0,0|1,0,0]=3 2204 B6R0.6 C=CCCNCC 2230a_100015191253_100000210202 [1,1,0,0,0,0|1,0,0]=3 2205 B6R0.6 C=CCCNCC 2230a_100015525214_100000754431 [1,1,0,0,0,0|1,0,0]=3 2206 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [1,1,0,0,0,0|1,0,0]=3 2207 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [1,1,0,0,0,0|1,0,0]=3 2208 B6R0.6 C=CCCOCF 34a_100011205117_100015361967 [1,1,0,0,0,0|2,0,0]=4 2209 B6R0.6 C=CCCSCC 62a_100000210202_100000754431 [1,1,0,0,0,0|1,0,0]=3 2210 B6R0.6 C=CCCSCC 62a_100000754431_100000210202 [1,1,0,0,0,0|1,0,0]=3 2211 B6R0.6 C=CCCSCF 62a_100000754431_100015361967 [1,1,0,0,0,0|2,0,0]=4 2212 B6R0.6 C=CCCSCF 62a_100015361967_100000754431 [1,1,0,0,0,0|2,0,0]=4 2213 B6R0.6 C=CCNCC=O 2230a_100020586998_200015260668 [1,1,0,0,0,0|0,0,2]=4 2214 B6R0.6 C=CCNCCC 2230a_100020586998_100000210303 [1,1,0,0,0,0|1,0,0]=3 2215 B6R0.6 C=CCNCCF 2230a_100020586998_100011217306 [1,1,0,0,0,0|2,0,0]=4 2216 B6R0.6 C=CCNCCF 34a_100000724931_100015514636 [1,1,0,0,0,0|2,0,0]=4 2217 B6R0.6 C=CCNCCO 2230a_100016997473_100000210623 [1,1,0,0,0,0|2,0,0]=4 2218 B6R0.6 C=CCNCCO 2230a_100020586998_100000211926 [1,1,0,0,0,0|2,0,0]=4 2219 B6R0.6 C=CCNCCO 34a_100016990907_100015514636 [1,1,0,0,0,0|2,0,0]=4 2220 B6R0.6 C=CCNCOC 2230a_100020586998_100000766300 [1,1,0,0,0,0|2,0,0]=4 2221 B6R0.6 C=CCNCSC 2230a_100020586998_100011218213 [1,1,0,0,0,0|2,0,0]=4 2222 B6R0.6 C=CCOCC=O 34a_200000210373_200009817547 [1,1,0,0,0,0|0,0,2]=4 2223 B6R0.6 C=CCOCCBr 34a_100000211926_100015514636 [1,1,0,0,0,0|2,0,0]=4 2224 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [1,1,0,0,0,0|1,0,0]=3 2225 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [1,1,0,0,0,0|1,0,0]=3 2226 B6R0.6 C=CCOCCF 34a_200000210373_100011217306 [1,1,0,0,0,0|2,0,0]=4 2227 B6R0.6 C=CCOCCN 34a_100000210304_100015514636 [1,1,0,0,0,0|2,0,0]=4 2228 B6R0.6 C=CCOCCO 34a_200000210373_100000211926 [1,1,0,0,0,0|2,0,0]=4 2229 B6R0.6 C=CCOCSC 34a_200000210373_100011218213 [1,1,0,0,0,0|2,0,0]=4 2230 B6R0.6 C=CCSCC=O 62a_100000210623_200015260668 [1,1,0,0,0,0|0,0,2]=4 2231 B6R0.6 C=CCSCC=O 62a_200015260668_100000210623 [1,1,0,0,0,0|0,0,2]=4 2232 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [1,1,0,0,0,0|1,0,0]=3 2233 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [1,1,0,0,0,0|1,0,0]=3 2234 B6R0.6 C=CCSCCF 62a_100000210623_100011217306 [1,1,0,0,0,0|2,0,0]=4 2235 B6R0.6 C=CCSCCF 62a_100011217306_100000210623 [1,1,0,0,0,0|2,0,0]=4 2236 B6R0.6 C=CCSCCO 62a_100000210623_100000211926 [1,1,0,0,0,0|2,0,0]=4 2237 B6R0.6 C=CCSCCO 62a_100000211926_100000210623 [1,1,0,0,0,0|2,0,0]=4 2238 B6R0.6 C=CCSCOC 62a_100000210623_100000766300 [1,1,0,0,0,0|2,0,0]=4 2239 B6R0.6 C=CCSCOC 62a_100000766300_100000210623 [1,1,0,0,0,0|2,0,0]=4 2240 B6R0.6 C=CCSCSC 62a_100000210623_100011218213 [1,1,0,0,0,0|2,0,0]=4 2241 B6R0.6 C=CCSCSC 62a_100011218213_100000210623 [1,1,0,0,0,0|2,0,0]=4 2242 B6R0.6 C=COCCNC 2230a_106832991635_100000039644 [1,1,0,0,0,0|2,0,0]=4 2243 B6R0.6 C=COCCNC 34a_100102657272_100000039644 [1,1,0,0,0,0|2,0,0]=4 2244 B6R0.6 C=COCCNC 7a_106832991635_100000039644 [1,1,0,0,0,0|2,0,0]=4 2245 B6R0.6 C=COCCOC 34a_100000033082_200000210301 [1,1,0,0,0,0|2,0,0]=4 2246 B6R0.6 C=COCCOC 34a_100138415774_100000039644 [1,1,0,0,0,0|2,0,0]=4 2247 B6R0.6 C=COCCO[13CH3] 34a_100000033082_200025704644 [1,1,0,0,0,0|2,0,0]=4 2248 B6R0.6 C=COCCSC 62a_100000039644_200000210301 [1,1,0,0,0,0|2,0,0]=4 2249 B6R0.6 C=COCCSC 62a_200000210301_100000039644 [1,1,0,0,0,0|2,0,0]=4 2250 B6R0.6 C=COCCS[13CH3] 62a_100000039644_200025704644 [1,1,0,0,0,0|2,0,0]=4 2251 B6R0.6 C=COCCS[13CH3] 62a_200025704644_100000039644 [1,1,0,0,0,0|2,0,0]=4 2252 B6R0.6 CC=CCNCC 2230a_100015525214_100000070051 [1,1,0,0,0,0|1,0,1]=4 2253 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [1,1,0,0,0,0|1,0,1]=4 2254 B6R0.6 CC=CCSCC 62a_100000070051_100000210202 [1,1,0,0,0,0|1,0,1]=4 2255 B6R0.6 CC=CCSCC 62a_100000210202_100000070051 [1,1,0,0,0,0|1,0,1]=4 2256 B6R0.6 CC=NNCCC 4a_100000740057_200000210099 [1,1,0,0,0,0|2,0,0]=4 2257 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [1,1,0,0,0,0|1,0,1]=4 2258 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [1,1,0,0,0,0|1,0,1]=4 2259 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [1,1,0,0,0,0|1,0,1]=4 2260 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [1,1,0,0,0,0|1,0,1]=4 2261 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [1,1,0,0,0,0|1,0,1]=4 2262 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [1,1,0,0,0,0|0,0,2]=4 2263 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [1,1,0,0,0,0|0,0,2]=4 2264 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [1,1,0,0,0,0|0,0,2]=4 2265 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [1,1,0,0,0,0|0,0,2]=4 2266 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [1,1,0,0,0,0|0,0,2]=4 2267 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [1,1,0,0,0,0|0,1,1]=4 2268 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [1,1,0,0,0,0|0,1,1]=4 2269 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [1,1,0,0,0,0|0,1,1]=4 2270 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [1,1,0,0,0,0|0,1,1]=4 2271 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [1,1,0,0,0,0|1,0,1]=4 2272 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [1,1,0,0,0,0|1,0,1]=4 2273 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [1,1,0,0,0,0|1,0,1]=4 2274 B6R0.6 CCCCNCF 7a_106832991798_100015361967 [1,1,0,0,0,0|1,0,1]=4 2275 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [1,1,0,0,0,0|1,0,1]=4 2276 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [1,1,0,0,0,0|1,0,1]=4 2277 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [1,1,0,0,0,0|1,0,1]=4 2278 B6R0.6 CCCCOCF 34a_100000210227_100015361967 [1,1,0,0,0,0|1,0,1]=4 2279 B6R0.6 CCCCOCF 7a_100000210227_100015361967 [1,1,0,0,0,0|1,0,1]=4 2280 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [1,1,0,0,0,0|1,0,1]=4 2281 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [1,1,0,0,0,0|1,0,1]=4 2282 B6R0.6 CCCCSCF 62a_100000210211_100015361967 [1,1,0,0,0,0|1,0,1]=4 2283 B6R0.6 CCCCSCF 62a_100015361967_100000210210 [1,1,0,0,0,0|1,0,1]=4 2284 B6R0.6 CCCNCCF 34a_100000724931_100000210303 [1,1,0,0,0,0|1,0,1]=4 2285 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [1,1,0,0,0,0|0,0,2]=4 2286 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [1,1,0,0,0,0|0,0,2]=4 2287 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [1,1,0,0,0,0|0,0,0]=2 2288 B6R0.6 CCCOCCBr 34a_100000211926_100000210303 [1,1,0,0,0,0|1,0,1]=4 2289 B6R0.6 CCCOCCC 34a_100000210258_100000210303 [1,1,0,0,0,0|1,0,1]=4 2290 B6R0.6 CCCOCCF 34a_100000210258_100011217306 [1,1,0,0,0,0|1,0,1]=4 2291 B6R0.6 CCCOCCN 34a_100000210304_100000210303 [1,1,0,0,0,0|1,0,1]=4 2292 B6R0.6 CCCOCCO 34a_100000210258_100000211926 [1,1,0,0,0,0|0,0,2]=4 2293 B6R0.6 CCCOCSC 34a_100000210258_100011218213 [1,1,0,0,0,0|2,0,0]=4 2294 B6R0.6 CCCSCC#N 62a_100000210303_100011215382 [1,1,0,0,0,0|1,0,1]=4 2295 B6R0.6 CCCSCC#N 62a_100011215382_100000210303 [1,1,0,0,0,0|1,0,1]=4 2296 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [1,1,0,0,0,0|0,0,0]=2 2297 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [1,1,0,0,0,0|0,0,0]=2 2298 B6R0.6 CCCSCCC 62a_100000210303_100000210303 [1,1,0,0,0,0|1,0,1]=4 2299 B6R0.6 CCCSCCF 62a_100000210303_100011217306 [1,1,0,0,0,0|1,0,1]=4 2300 B6R0.6 CCCSCCF 62a_100011217306_100000210303 [1,1,0,0,0,0|1,0,1]=4 2301 B6R0.6 CCCSCCO 62a_100000210303_100000211926 [1,1,0,0,0,0|0,0,2]=4 2302 B6R0.6 CCCSCCO 62a_100000211926_100000210303 [1,1,0,0,0,0|0,0,2]=4 2303 B6R0.6 CCCSCOC 62a_100000210303_100000766300 [1,1,0,0,0,0|2,0,0]=4 2304 B6R0.6 CCCSCOC 62a_100000766300_100000210303 [1,1,0,0,0,0|2,0,0]=4 2305 B6R0.6 CCCSCSC 62a_100000210303_100011218213 [1,1,0,0,0,0|2,0,0]=4 2306 B6R0.6 CCCSCSC 62a_100011218213_100000210303 [1,1,0,0,0,0|2,0,0]=4 2307 B6R0.6 CCNCCC#N 2230a_100015525214_100011215226 [1,1,0,0,0,0|1,0,1]=4 2308 B6R0.6 CCNCCCF 2230a_100015189416_100000210202 [1,1,0,0,0,0|1,0,1]=4 2309 B6R0.6 CCNCCCF 2230a_100015525214_100011934791 [1,1,0,0,0,0|1,0,1]=4 2310 B6R0.6 CCNCCCF 34a_100015189416_100000210202 [1,1,0,0,0,0|1,0,1]=4 2311 B6R0.6 CCNCCCO 2230a_100015525214_100000230001 [1,1,0,0,0,0|0,0,2]=4 2312 B6R0.6 CCNCCOC 2230a_100000209980_100000210202 [1,1,0,0,0,0|2,0,0]=4 2313 B6R0.6 CCNCCOC 2230a_100015525214_100011201679 [1,1,0,0,0,0|2,0,0]=4 2314 B6R0.6 CCNCCSC 2230a_100015525214_100000751147 [1,1,0,0,0,0|2,0,0]=4 2315 B6R0.6 CCNCCSC 2230a_100020590264_100000210202 [1,1,0,0,0,0|2,0,0]=4 2316 B6R0.6 CCOCCCBr 34a_100011217188_100000210202 [1,1,0,0,0,0|1,0,1]=4 2317 B6R0.6 CCOCCCCl 34a_100000230001_100000210202 [1,1,0,0,0,0|1,0,1]=4 2318 B6R0.6 CCOCCCF 34a_100000759539_100000210202 [1,1,0,0,0,0|1,0,1]=4 2319 B6R0.6 CCOCCCF 34a_100121572206_100011934791 [1,1,0,0,0,0|1,0,1]=4 2320 B6R0.6 CCOCCCN 34a_100000182051_100000210202 [1,1,0,0,0,0|1,0,1]=4 2321 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [1,1,0,0,0,0|0,0,2]=4 2322 B6R0.6 CCOCCNC 2230a_102516460346_200000210301 [1,1,0,0,0,0|2,0,0]=4 2323 B6R0.6 CCOCCNC 2230a_106832991635_100011215890 [1,1,0,0,0,0|2,0,0]=4 2324 B6R0.6 CCOCCNC 34a_100102657272_100000210147 [1,1,0,0,0,0|2,0,0]=4 2325 B6R0.6 CCOCCNC 34a_102516460346_200000210301 [1,1,0,0,0,0|2,0,0]=4 2326 B6R0.6 CCOCCNC 7a_106832991635_100011215890 [1,1,0,0,0,0|2,0,0]=4 2327 B6R0.6 CCOCCN[13CH3] 2230a_102516460346_200025704644 [1,1,0,0,0,0|2,0,0]=4 2328 B6R0.6 CCOCCN[13CH3] 34a_102516460346_200025704644 [1,1,0,0,0,0|2,0,0]=4 2329 B6R0.6 CCOCCOC 34a_100000210136_200000210301 [1,1,0,0,0,0|2,0,0]=4 2330 B6R0.6 CCOCCOC 34a_100000210237_100000210202 [1,1,0,0,0,0|2,0,0]=4 2331 B6R0.6 CCOCCOC 34a_100121572206_100011201679 [1,1,0,0,0,0|2,0,0]=4 2332 B6R0.6 CCOCCOC 34a_100138415774_100000210147 [1,1,0,0,0,0|2,0,0]=4 2333 B6R0.6 CCOCCOC 7a_100000210136_200000210301 [1,1,0,0,0,0|2,0,0]=4 2334 B6R0.6 CCOCCON 34a_100000700252_100000210202 [1,1,0,0,0,0|2,0,0]=4 2335 B6R0.6 CCOCCO[13CH3] 34a_100000210136_200025704644 [1,1,0,0,0,0|2,0,0]=4 2336 B6R0.6 CCOCCO[13CH3] 7a_100000210136_200025704644 [1,1,0,0,0,0|2,0,0]=4 2337 B6R0.6 CCOCCSC 34a_100000230434_100000210202 [1,1,0,0,0,0|2,0,0]=4 2338 B6R0.6 CCOCCSC 34a_100121572206_100000212216 [1,1,0,0,0,0|2,0,0]=4 2339 B6R0.6 CCOCCSC 62a_100000210147_200000210301 [1,1,0,0,0,0|2,0,0]=4 2340 B6R0.6 CCOCCSC 62a_200000210301_100011215890 [1,1,0,0,0,0|2,0,0]=4 2341 B6R0.6 CCOCCSC 7a_100000230434_100000210202 [1,1,0,0,0,0|2,0,0]=4 2342 B6R0.6 CCOCCS[13CH3] 62a_100000210147_200025704644 [1,1,0,0,0,0|2,0,0]=4 2343 B6R0.6 CCOCCS[13CH3] 62a_200025704644_100011215890 [1,1,0,0,0,0|2,0,0]=4 2344 B6R0.6 CCSCCC#N 62a_100000210202_100011215226 [1,1,0,0,0,0|1,0,1]=4 2345 B6R0.6 CCSCCC#N 62a_100011215226_100000210202 [1,1,0,0,0,0|1,0,1]=4 2346 B6R0.6 CCSCCCF 62a_100000210202_100011934791 [1,1,0,0,0,0|1,0,1]=4 2347 B6R0.6 CCSCCCF 62a_100011934791_100000210202 [1,1,0,0,0,0|1,0,1]=4 2348 B6R0.6 CCSCCCO 62a_100000210202_100011215043 [1,1,0,0,0,0|0,0,2]=4 2349 B6R0.6 CCSCCCO 62a_100011215043_100000210202 [1,1,0,0,0,0|0,0,2]=4 2350 B6R0.6 CCSCCNC 2230a_100000106463_200000210301 [1,1,0,0,0,0|2,0,0]=4 2351 B6R0.6 CCSCCNC 2230a_106832991635_100000757381 [1,1,0,0,0,0|2,0,0]=4 2352 B6R0.6 CCSCCNC 34a_100102657272_100000757381 [1,1,0,0,0,0|2,0,0]=4 2353 B6R0.6 CCSCCNC 7a_106832991635_100000757381 [1,1,0,0,0,0|2,0,0]=4 2354 B6R0.6 CCSCCN[13CH3] 2230a_100000106463_200025704644 [1,1,0,0,0,0|2,0,0]=4 2355 B6R0.6 CCSCCOC 34a_100000212035_200000210301 [1,1,0,0,0,0|2,0,0]=4 2356 B6R0.6 CCSCCOC 34a_100138415774_100000757381 [1,1,0,0,0,0|2,0,0]=4 2357 B6R0.6 CCSCCOC 62a_100000210202_100000233755 [1,1,0,0,0,0|2,0,0]=4 2358 B6R0.6 CCSCCOC 62a_100000233755_100000210202 [1,1,0,0,0,0|2,0,0]=4 2359 B6R0.6 CCSCCOC 7a_100000212035_200000210301 [1,1,0,0,0,0|2,0,0]=4 2360 B6R0.6 CCSCCO[13CH3] 34a_100000212035_200025704644 [1,1,0,0,0,0|2,0,0]=4 2361 B6R0.6 CCSCCO[13CH3] 7a_100000212035_200025704644 [1,1,0,0,0,0|2,0,0]=4 2362 B6R0.6 CCSCCSC 62a_100000210202_100000751147 [1,1,0,0,0,0|2,0,0]=4 2363 B6R0.6 CCSCCSC 62a_100000212216_100000210202 [1,1,0,0,0,0|2,0,0]=4 2364 B6R0.6 CCSCCSC 62a_100000757381_200000210301 [1,1,0,0,0,0|2,0,0]=4 2365 B6R0.6 CCSCCSC 62a_200000210301_100000757381 [1,1,0,0,0,0|2,0,0]=4 2366 B6R0.6 CCSCCS[13CH3] 62a_100000757381_200025704644 [1,1,0,0,0,0|2,0,0]=4 2367 B6R0.6 CCSCCS[13CH3] 62a_200025704644_100000757381 [1,1,0,0,0,0|2,0,0]=4 2368 B6R0.6 CNCCCC#N 2230a_106832991635_100000687738 [1,1,0,0,0,0|1,0,1]=4 2369 B6R0.6 CNCCCC#N 7a_106832991635_100000687738 [1,1,0,0,0,0|1,0,1]=4 2370 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [1,1,0,0,0,0|0,0,0]=2 2371 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [1,1,0,0,0,0|0,0,0]=2 2372 B6R0.6 CNCCCCF 2230a_106832991635_100000729493 [1,1,0,0,0,0|1,0,1]=4 2373 B6R0.6 CNCCCCF 34a_100102657272_100000729493 [1,1,0,0,0,0|1,0,1]=4 2374 B6R0.6 CNCCCCF 7a_106832991635_100000729493 [1,1,0,0,0,0|1,0,1]=4 2375 B6R0.6 CNCCCCO 2230a_100000750430_200000210301 [1,1,0,0,0,0|0,0,2]=4 2376 B6R0.6 CNCCCCO 2230a_106832991635_100000210776 [1,1,0,0,0,0|0,0,2]=4 2377 B6R0.6 CNCCCCO 34a_100000750430_200000210301 [1,1,0,0,0,0|0,0,2]=4 2378 B6R0.6 CNCCCCO 34a_100102657272_100011216708 [1,1,0,0,0,0|0,0,2]=4 2379 B6R0.6 CNCCCCO 7a_106832991635_100000210776 [1,1,0,0,0,0|0,0,2]=4 2380 B6R0.6 CNCCCOC 2230a_106832991635_100000740836 [1,1,0,0,0,0|2,0,0]=4 2381 B6R0.6 CNCCCOC 34a_100000213112_200000210301 [1,1,0,0,0,0|2,0,0]=4 2382 B6R0.6 CNCCCOC 34a_100102657272_100000740836 [1,1,0,0,0,0|2,0,0]=4 2383 B6R0.6 CNCCCOC 34a_100150723488_200000210301 [1,1,0,0,0,0|2,0,0]=4 2384 B6R0.6 CNCCCOC 7a_106832991635_100000740836 [1,1,0,0,0,0|2,0,0]=4 2385 B6R0.6 CNCCCO[13CH3] 34a_100000213112_200025704644 [1,1,0,0,0,0|2,0,0]=4 2386 B6R0.6 CNCCCSC 2230a_100000749238_200000210301 [1,1,0,0,0,0|2,0,0]=4 2387 B6R0.6 COCCCCBr 34a_100011216708_200000210301 [1,1,0,0,0,0|1,0,1]=4 2388 B6R0.6 COCCCCCl 34a_100000210776_200000210301 [1,1,0,0,0,0|1,0,1]=4 2389 B6R0.6 COCCCCCl 7a_100000210776_200000210301 [1,1,0,0,0,0|1,0,1]=4 2390 B6R0.6 COCCCCF 34a_100011995726_200000210301 [1,1,0,0,0,0|1,0,1]=4 2391 B6R0.6 COCCCCF 34a_100138415774_100000729493 [1,1,0,0,0,0|1,0,1]=4 2392 B6R0.6 COCCCCF 7a_100011995726_200000210301 [1,1,0,0,0,0|1,0,1]=4 2393 B6R0.6 COCCCCI 34a_200012148704_200000210301 [1,1,0,0,0,0|1,0,1]=4 2394 B6R0.6 COCCCCN 34a_100000750430_200000210301 [1,1,0,0,0,0|1,0,1]=4 2395 B6R0.6 COCCCCO 34a_100138415774_100011216708 [1,1,0,0,0,0|0,0,2]=4 2396 B6R0.6 COCCCN[13CH3] 34a_100150723488_200025704644 [1,1,0,0,0,0|2,0,0]=4 2397 B6R0.6 COCCCOC 34a_100000740835_200000210301 [1,1,0,0,0,0|2,0,0]=4 2398 B6R0.6 COCCCOC 34a_100138415774_100000740836 [1,1,0,0,0,0|2,0,0]=4 2399 B6R0.6 COCCCO[13CH3] 34a_100000740835_200025704644 [1,1,0,0,0,0|2,0,0]=4 2400 B6R0.6 COCCCSC 34a_100000690336_200000210301 [1,1,0,0,0,0|2,0,0]=4 2401 B6R0.6 COCCCSC 62a_100000709357_200000210301 [1,1,0,0,0,0|2,0,0]=4 2402 B6R0.6 COCCCSC 62a_200000210301_100000709357 [1,1,0,0,0,0|2,0,0]=4 2403 B6R0.6 COCCCSC 7a_100000690336_200000210301 [1,1,0,0,0,0|2,0,0]=4 2404 B6R0.6 COCCCS[13CH3] 62a_100000709357_200025704644 [1,1,0,0,0,0|2,0,0]=4 2405 B6R0.6 COCCCS[13CH3] 62a_200025704644_100000709357 [1,1,0,0,0,0|2,0,0]=4 2406 B6R0.6 COCSCC=O 62a_100000766300_200015260668 [1,1,0,0,0,0|1,0,0]=3 2407 B6R0.6 COCSCC=O 62a_200015260668_100000766300 [1,1,0,0,0,0|1,0,0]=3 2408 B6R0.6 CSCCCC#N 62a_100000687738_200000210301 [1,1,0,0,0,0|1,0,1]=4 2409 B6R0.6 CSCCCC#N 62a_200000210301_100000687738 [1,1,0,0,0,0|1,0,1]=4 2410 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [1,1,0,0,0,0|0,0,0]=2 2411 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [1,1,0,0,0,0|0,0,0]=2 2412 B6R0.6 CSCCCCF 62a_100000729493_200000210301 [1,1,0,0,0,0|1,0,1]=4 2413 B6R0.6 CSCCCCF 62a_200000210301_100000729493 [1,1,0,0,0,0|1,0,1]=4 2414 B6R0.6 CSCCCCO 62a_100000210776_200000210301 [1,1,0,0,0,0|0,0,2]=4 2415 B6R0.6 CSCCCCO 62a_200000210301_100000210776 [1,1,0,0,0,0|0,0,2]=4 2416 B6R0.6 CSCCCN[13CH3] 2230a_100000749238_200025704644 [1,1,0,0,0,0|2,0,0]=4 2417 B6R0.6 CSCCCO[13CH3] 34a_100000690336_200025704644 [1,1,0,0,0,0|2,0,0]=4 2418 B6R0.6 CSCCCO[13CH3] 7a_100000690336_200025704644 [1,1,0,0,0,0|2,0,0]=4 2419 B6R0.6 CSCSCC=O 62a_100011218213_200015260668 [1,1,0,0,0,0|1,0,0]=3 2420 B6R0.6 CSCSCC=O 62a_200015260668_100011218213 [1,1,0,0,0,0|1,0,0]=3 2421 B6R0.6 N#CCSCC=O 62a_100011215382_200015260668 [1,1,0,0,0,0|1,0,1]=4 2422 B6R0.6 N#CCSCC=O 62a_200015260668_100011215382 [1,1,0,0,0,0|1,0,1]=4 2423 B6R0.6 NCCOCC=O 34a_100000210304_200009817547 [1,1,0,0,0,0|1,0,0]=3 2424 B6R0.6 O=CCNCCF 34a_100000724931_200009817547 [1,1,0,0,0,0|1,0,0]=3 2425 B6R0.6 O=CCNCCO 2230a_100016997473_200015260668 [1,1,0,0,0,0|1,0,0]=3 2426 B6R0.6 O=CCNCCO 34a_100016990907_200009817547 [1,1,0,0,0,0|1,0,0]=3 2427 B6R0.6 O=CCOCCBr 34a_100000211926_200009817547 [1,1,0,0,0,0|1,0,0]=3 2428 B6R0.6 O=CCSCC=O 62a_200015260668_200015260668 [1,1,0,0,0,0|1,0,1]=4 2429 B6R0.6 O=CCSCCF 62a_100011217306_200015260668 [1,1,0,0,0,0|1,0,0]=3 2430 B6R0.6 O=CCSCCF 62a_200015260668_100011217306 [1,1,0,0,0,0|1,0,0]=3 2431 B6R0.6 O=CCSCCO 62a_100000211926_200015260668 [1,1,0,0,0,0|1,0,0]=3 2432 B6R0.6 O=CCSCCO 62a_200015260668_100000211926 [1,1,0,0,0,0|1,0,0]=3 2433 B6R0.6 [13CH3]NCCCCO 2230a_100000750430_200025704644 [1,1,0,0,0,0|0,0,2]=4 2434 B6R0.6 [13CH3]NCCCCO 34a_100000750430_200025704644 [1,1,0,0,0,0|0,0,2]=4 2435 B6R0.6 [13CH3]OCCCCBr 34a_100011216708_200025704644 [1,1,0,0,0,0|1,0,1]=4 2436 B6R0.6 [13CH3]OCCCCCl 34a_100000210776_200025704644 [1,1,0,0,0,0|1,0,1]=4 2437 B6R0.6 [13CH3]OCCCCCl 7a_100000210776_200025704644 [1,1,0,0,0,0|1,0,1]=4 2438 B6R0.6 [13CH3]OCCCCF 34a_100011995726_200025704644 [1,1,0,0,0,0|1,0,1]=4 2439 B6R0.6 [13CH3]OCCCCF 7a_100011995726_200025704644 [1,1,0,0,0,0|1,0,1]=4 2440 B6R0.6 [13CH3]OCCCCI 34a_200012148704_200025704644 [1,1,0,0,0,0|1,0,1]=4 2441 B6R0.6 [13CH3]OCCCCN 34a_100000750430_200025704644 [1,1,0,0,0,0|1,0,1]=4 2442 B6R0.6 [13CH3]SCCCC#N 62a_100000687738_200025704644 [1,1,0,0,0,0|1,0,1]=4 2443 B6R0.6 [13CH3]SCCCC#N 62a_200025704644_100000687738 [1,1,0,0,0,0|1,0,1]=4 2444 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [1,1,0,0,0,0|0,0,0]=2 2445 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [1,1,0,0,0,0|0,0,0]=2 2446 B6R0.6 [13CH3]SCCCCF 62a_100000729493_200025704644 [1,1,0,0,0,0|1,0,1]=4 2447 B6R0.6 [13CH3]SCCCCF 62a_200025704644_100000729493 [1,1,0,0,0,0|1,0,1]=4 2448 B6R0.6 [13CH3]SCCCCO 62a_100000210776_200025704644 [1,1,0,0,0,0|0,0,2]=4 2449 B6R0.6 [13CH3]SCCCCO 62a_200025704644_100000210776 [1,1,0,0,0,0|0,0,2]=4 2450 B6R0.8 C=CC(C)(C)OC 34a_100011215311_200000210301 [1,1,0,0,0,0|2,0,0]=4 2451 B6R0.8 C=CC(C)(C)OC 7a_100011215311_200000210301 [1,1,0,0,0,0|2,0,0]=4 2452 B6R0.8 C=CC(C)(C)O[13CH3] 34a_100011215311_200025704644 [1,1,0,0,0,0|2,0,0]=4 2453 B6R0.8 C=CC(C)(C)O[13CH3] 7a_100011215311_200025704644 [1,1,0,0,0,0|2,0,0]=4 2454 B6R0.8 CCC(C)(C)NC 2230a_100000211385_200000210301 [1,1,0,0,0,0|2,0,0]=4 2455 B6R0.8 CCC(C)(C)NC 7a_106832991635_100000210677 [1,1,0,0,0,0|2,0,0]=4 2456 B6R0.8 CCC(C)(C)N[13CH3] 2230a_100000211385_200025704644 [1,1,0,0,0,0|2,0,0]=4 2457 B6R0.8 CCC(C)(C)OC 7a_100000210230_200000210301 [1,1,0,0,0,0|2,0,0]=4 2458 B6R0.8 CCC(C)(C)O[13CH3] 7a_100000210230_200025704644 [1,1,0,0,0,0|2,0,0]=4 2459 B6R0.8 CCC(C)(C)SC 62a_100000032637_200000210301 [1,1,0,0,0,0|2,0,0]=4 2460 B6R0.8 CCC(C)(C)SC 62a_200000210301_100000032637 [1,1,0,0,0,0|2,0,0]=4 2461 B6R0.8 CCC(C)(C)S[13CH3] 62a_100000032637_200025704644 [1,1,0,0,0,0|2,0,0]=4 2462 B6R0.8 CCC(C)(C)S[13CH3] 62a_200025704644_100000032637 [1,1,0,0,0,0|2,0,0]=4 2463 B6R0.9 C#CC(CC)OC 34a_100000758843_200000210301 [1,1,0,0,0,0|1,0,1]=4 2464 B6R0.9 C#CC(CC)OC 7a_100000758843_200000210301 [1,1,0,0,0,0|1,0,1]=4 2465 B6R0.9 C#CC(CC)O[13CH3] 34a_100000758843_200025704644 [1,1,0,0,0,0|1,0,1]=4 2466 B6R0.9 C#CC(CC)O[13CH3] 7a_100000758843_200025704644 [1,1,0,0,0,0|1,0,1]=4 2467 B6R0.9 C=CC(CC)OC 34a_100000766422_200000210301 [1,1,0,0,0,0|1,0,0]=3 2468 B6R0.9 C=CC(CC)OC 7a_100000766422_200000210301 [1,1,0,0,0,0|1,0,0]=3 2469 B6R0.9 C=CC(CC)O[13CH3] 34a_100000766422_200025704644 [1,1,0,0,0,0|1,0,0]=3 2470 B6R0.9 C=CC(CC)O[13CH3] 7a_100000766422_200025704644 [1,1,0,0,0,0|1,0,0]=3 2471 B6R0.9 C=C[C@@H](CO)NC 2230a_100016989147_200000210301 [1,1,0,0,0,0|2,0,0]=4 2472 B6R0.9 C=C[C@@H](CO)NC 34a_100016989147_200000210301 [1,1,0,0,0,0|2,0,0]=4 2473 B6R0.9 C=C[C@@H](CO)N[13CH3] 2230a_100016989147_200025704644 [1,1,0,0,0,0|2,0,0]=4 2474 B6R0.9 C=C[C@@H](CO)N[13CH3] 34a_100016989147_200025704644 [1,1,0,0,0,0|2,0,0]=4 2475 B6R0.9 CCC(CC)NC 2230a_100000199018_200000210301 [1,1,0,0,0,0|1,0,1]=4 2476 B6R0.9 CCC(CC)NC 270004a_106832991635_100000210860 [1,1,0,0,0,0|1,0,1]=4 2477 B6R0.9 CCC(CC)NC 7a_106832991635_100000210505 [1,1,0,0,0,0|1,0,1]=4 2478 B6R0.9 CCC(CC)N[13CH3] 2230a_100000199018_200025704644 [1,1,0,0,0,0|1,0,1]=4 2479 B6R0.9 CCC(CC)OC 7a_100000688536_200000210301 [1,1,0,0,0,0|1,0,1]=4 2480 B6R0.9 CCC(CC)O[13CH3] 7a_100000688536_200025704644 [1,1,0,0,0,0|1,0,1]=4 2481 B6R0.9 CCC(CC)SC 62a_100000210505_200000210301 [1,1,0,0,0,0|1,0,1]=4 2482 B6R0.9 CCC(CC)SC 62a_200000210301_100000210505 [1,1,0,0,0,0|1,0,1]=4 2483 B6R0.9 CCC(CC)S[13CH3] 62a_100000210505_200025704644 [1,1,0,0,0,0|1,0,1]=4 2484 B6R0.9 CCC(CC)S[13CH3] 62a_200025704644_100000210505 [1,1,0,0,0,0|1,0,1]=4 2485 B6R0.9 CC[C@@H](CO)NC 2230a_100000709445_200000210301 [1,1,0,0,0,0|0,0,2]=4 2486 B6R0.9 CC[C@@H](CO)N[13CH3] 2230a_100000709445_200025704644 [1,1,0,0,0,0|0,0,2]=4 2487 B6R0.9 CNC(C=O)C=O 2230a_106832991635_100000736813 [1,1,0,0,0,0|1,0,1]=4 2488 B6R0.9 CNC(C=O)C=O 34a_100102657272_100000736813 [1,1,0,0,0,0|1,0,1]=4 2489 B6R0.9 COC(C=O)C=O 34a_100138415774_100000736813 [1,1,0,0,0,0|1,0,1]=4 2490 B6R0.9 CSC(C=O)C=O 62a_100000736813_200000210301 [1,1,0,0,0,0|1,0,1]=4 2491 B6R0.9 CSC(C=O)C=O 62a_200000210301_100000736813 [1,1,0,0,0,0|1,0,1]=4 2492 B6R0.9 [13CH3]SC(C=O)C=O 62a_100000736813_200025704644 [1,1,0,0,0,0|1,0,1]=4 2493 B6R0.9 [13CH3]SC(C=O)C=O 62a_200025704644_100000736813 [1,1,0,0,0,0|1,0,1]=4 2494 B8R0.2 C=CC(C)C(=O)C(C)C 1458a_100011216780_100000210206 [0,2,0,0,0,0|1,0,1]=4 2495 B8R0.2 C=CC(C)N(C)C(C)C 269982a_200000211004_100011215867 [0,2,0,0,0,0|2,0,0]=4 2496 B8R0.2 CC(=O)C(C)C(=O)CO 1458a_100000210174_100000179758 [0,2,0,0,0,0|1,0,1]=4 2497 B8R0.2 CC(=O)N(C)C(C)CO 240690a_100000693034_100015343762 [0,2,0,0,0,0|2,0,0]=4 2498 B8R0.2 CC(=O)N(C)C(C)CO 527a_100000693034_100103153847 [0,2,0,0,0,0|2,0,0]=4 2499 B8R0.2 CC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_200000210301 [0,2,0,0,0,0|2,0,0]=4 2500 B8R0.2 CC(C(=O)N)C(=O)CO 1458a_100000210174_100000702099 [0,2,0,0,0,0|1,0,1]=4 2501 B8R0.2 CC(C(=O)O)N(C)CF 269956a_100000749554_100015361967 [0,2,0,0,0,0|2,0,0]=4 2502 B8R0.2 CC(O[13CH3])C(C)[N+](=O)[O-] 34a_200000034949_200025704644 [0,2,0,0,0,0|2,0,0]=4 2503 B8R0.2 CC(O[13CH3])C(C)[N+](=O)[O-] 7a_200000034949_200025704644 [0,2,0,0,0,0|2,0,0]=4 2504 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000070787_100000742827 [0,2,0,0,0,0|0,0,1]=3 2505 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000210414_100000179758 [0,2,0,0,0,0|0,0,1]=3 2506 B8R0.2 CCC(=O)C(C)C(=O)N 1458a_100000210414_100000702099 [0,2,0,0,0,0|0,0,1]=3 2507 B8R0.2 CCC(=O)C(F)C(=O)N 1458a_100000210414_100009813875 [0,2,0,0,0,0|1,0,1]=4 2508 B8R0.2 CCC(=O)C(F)C(=O)[O-] 1458a_100000210414_100020610796 [0,2,0,0,0,0|1,0,1]=4 2509 B8R0.2 CCC(C)C(C)N(C)C 270004a_100102631434_100000210599 [0,2,0,0,0,0|2,0,0]=4 2510 B8R0.2 CCC(C)N(C)C(=O)C 11a_100000741768_100015343762 [0,2,0,0,0,0|1,0,0]=3 2511 B8R0.2 CCC(C)N(C)C(=O)C 1626a_100000741768_100015343762 [0,2,0,0,0,0|1,0,0]=3 2512 B8R0.2 CCC(C)N(C)C(=O)C 240690a_100000741768_100015343762 [0,2,0,0,0,0|1,0,0]=3 2513 B8R0.2 CCC(C)N(C)C(=O)C 527a_100000741768_100103153847 [0,2,0,0,0,0|1,0,0]=3 2514 B8R0.2 CCN(C)C(C)C(=O)C 1458a_100011281945_200000210301 [0,2,0,0,0,0|1,0,0]=3 2515 B8R0.2 CCN(C)C(C)C(=O)C 2230a_100000225621_100009814033 [0,2,0,0,0,0|1,0,0]=3 2516 B8R0.2 CCN(C)C(C)C(=O)C 269982a_100000225621_100009814033 [0,2,0,0,0,0|1,0,0]=3 2517 B8R0.2 CCN(C)C(C)C(=O)N 2230a_100000225621_100000702099 [0,2,0,0,0,0|1,0,0]=3 2518 B8R0.2 CCN(C)C(C)C(=O)N 2230a_100020603310_200000210301 [0,2,0,0,0,0|1,0,0]=3 2519 B8R0.2 CCN(C)C(C)C(=O)N 269982a_100000225621_100000184083 [0,2,0,0,0,0|1,0,0]=3 2520 B8R0.2 CCN(C)C(C)C(=O)N 269982a_100020603310_200000210301 [0,2,0,0,0,0|1,0,0]=3 2521 B8R0.2 CCN(C)C(C)C(=O)O 269956a_100000749554_100000210202 [0,2,0,0,0,0|1,0,0]=3 2522 B8R0.2 CCN(C)C(C)C(=O)[13CH3] 1458a_100011281945_200025704644 [0,2,0,0,0,0|1,0,0]=3 2523 B8R0.2 CCN(C)C(F)C(=O)N 2230a_100000225621_100009813875 [0,2,0,0,0,0|2,0,0]=4 2524 B8R0.2 CCN(C)C(F)C(=O)N 269982a_100000225621_100009813875 [0,2,0,0,0,0|2,0,0]=4 2525 B8R0.2 CCN([13CH3])C(C)C(=O)N 2230a_100020603310_200025704644 [0,2,0,0,0,0|1,0,0]=3 2526 B8R0.2 CCN([13CH3])C(C)C(=O)N 269982a_100020603310_200025704644 [0,2,0,0,0,0|1,0,0]=3 2527 B8R0.2 CNC(=O)C(C)C(=O)C 1458a_100000070787_100000209862 [0,2,0,0,0,0|1,0,1]=4 2528 B8R0.2 COC(=O)C(C)C(=O)C 1458a_100000070787_100000211248 [0,2,0,0,0,0|1,0,1]=4 2529 B8R0.2 COC(=O)C(C)C(=O)C 1458a_100012027023_200000210301 [0,2,0,0,0,0|1,0,1]=4 2530 B8R0.2 COC(=O)C(C)C(=O)[13CH3] 1458a_100012027023_200025704644 [0,2,0,0,0,0|1,0,1]=4 2531 B8R0.2 COC(C)C(C)[N+](=O)[O-] 34a_200000034949_200000210301 [0,2,0,0,0,0|2,0,0]=4 2532 B8R0.2 COC(C)C(C)[N+](=O)[O-] 7a_200000034949_200000210301 [0,2,0,0,0,0|2,0,0]=4 2533 B8R0.2 CO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_200000210301 [0,2,0,0,0,0|2,0,0]=4 2534 B8R0.2 C[C@@H](O[13CH3])[C@H](N)C(=O)N 34a_100000003557_200025704644 [0,2,0,0,0,0|2,0,0]=4 2535 B8R0.2 [13CH3]C(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_200025704644 [0,2,0,0,0,0|2,0,0]=4 2536 B8R0.5 C/C=C/C(C)OC(C)C 34a_200102604097_100000210206 [0,2,0,0,0,0|2,0,0]=4 2537 B8R0.5 C=C(C)CN(C)CC=O 2230a_100000225649_200015260668 [0,2,0,0,0,0|1,0,1]=4 2538 B8R0.5 C=C(C)CN(C)CC=O 269982a_100000225649_200015260668 [0,2,0,0,0,0|1,0,1]=4 2539 B8R0.5 C=C(C)CN(C)CCC 2230a_100000225649_100000210303 [0,2,0,0,0,0|2,0,0]=4 2540 B8R0.5 C=C(C)CN(C)CCC 2230a_100000747261_100000748629 [0,2,0,0,0,0|2,0,0]=4 2541 B8R0.5 C=C(C)CN(C)CCC 269982a_100000225649_100000210303 [0,2,0,0,0,0|2,0,0]=4 2542 B8R0.5 C=C(C)CN(C)CCC 269982a_100000747261_100000748629 [0,2,0,0,0,0|2,0,0]=4 2543 B8R0.5 C=C(CCC)CC(=O)C 1458a_100000138376_200000210301 [0,2,0,0,0,0|0,0,2]=4 2544 B8R0.5 C=C(CCC)CC(=O)[13CH3] 1458a_100000138376_200025704644 [0,2,0,0,0,0|0,0,2]=4 2545 B8R0.5 C=C(F)CN(C)CCC 2230a_100000747261_100009893438 [0,2,0,0,0,0|2,0,0]=4 2546 B8R0.5 C=C(F)CN(C)CCC 269982a_100000747261_100009893438 [0,2,0,0,0,0|2,0,0]=4 2547 B8R0.5 C=CCN(C)CC(C)C 2230a_100000225617_100000210760 [0,2,0,0,0,0|2,0,0]=4 2548 B8R0.5 C=CCN(C)CC(C)C 2230a_100000747067_100000210623 [0,2,0,0,0,0|2,0,0]=4 2549 B8R0.5 C=CCN(C)CC(C)C 269982a_100000225617_100000210624 [0,2,0,0,0,0|2,0,0]=4 2550 B8R0.5 C=CCN(C)CC(C)C 269982a_100000747067_100000210623 [0,2,0,0,0,0|2,0,0]=4 2551 B8R0.5 C=CCN(C)CC(C)C 270004a_100000225617_100000210432 [0,2,0,0,0,0|2,0,0]=4 2552 B8R0.5 C=CCN(C)CC(C)O 2230a_100000225617_100011218427 [0,2,0,0,0,0|2,0,0]=4 2553 B8R0.5 C=CCN(C)CC(C)O 2230a_100000227577_100000210623 [0,2,0,0,0,0|2,0,0]=4 2554 B8R0.5 C=CCN(C)CC(C)O 269982a_100000225617_100011218427 [0,2,0,0,0,0|2,0,0]=4 2555 B8R0.5 C=CCN(C)CC(C)O 269982a_100000227577_100000210623 [0,2,0,0,0,0|2,0,0]=4 2556 B8R0.5 C=CCN(C)C[C@@H](C)O 2230a_100000225617_100009817552 [0,2,0,0,0,0|2,0,0]=4 2557 B8R0.5 C=CCN(C)C[C@@H](C)O 269982a_100000225617_100009817552 [0,2,0,0,0,0|2,0,0]=4 2558 B8R0.5 C=CC[C@@H](C)OC(C)C 34a_100000731007_100000210206 [0,2,0,0,0,0|2,0,0]=4 2559 B8R0.5 C=CC[C@@H](C)OC(C)C 7a_100000731007_100000210206 [0,2,0,0,0,0|2,0,0]=4 2560 B8R0.5 CC(=O)N[C@@H](C)CC#N 11a_100016994482_100015343762 [0,2,0,0,0,0|1,0,1]=4 2561 B8R0.5 CC(=O)N[C@@H](C)CC#N 1626a_100016994482_100015343762 [0,2,0,0,0,0|1,0,1]=4 2562 B8R0.5 CC(=O)N[C@@H](C)CC#N 240690a_100016994482_100015343762 [0,2,0,0,0,0|1,0,1]=4 2563 B8R0.5 CC(=O)N[C@@H](C)CC#N 527a_100016994482_100103153847 [0,2,0,0,0,0|1,0,1]=4 2564 B8R0.5 CC(=O)N[C@H](C)CCO 240690a_100000706166_100015343762 [0,2,0,0,0,0|1,0,0]=3 2565 B8R0.5 CC(=O)N[C@H](C)CCO 527a_100000706166_100103153847 [0,2,0,0,0,0|1,0,0]=3 2566 B8R0.5 CC(=O)OC(C)SCF 62a_100009818208_100015361967 [0,2,0,0,0,0|2,0,0]=4 2567 B8R0.5 CC(=O)OC(C)SCF 62a_100015361967_100009818208 [0,2,0,0,0,0|2,0,0]=4 2568 B8R0.5 CC(C)CC(C)OCF 34a_100000211805_100015361967 [0,2,0,0,0,0|1,0,1]=4 2569 B8R0.5 CC(C)CC(C)OCF 7a_100000211805_100015361967 [0,2,0,0,0,0|1,0,1]=4 2570 B8R0.5 CC(C)CC(C)SCF 62a_100000731052_100015361967 [0,2,0,0,0,0|1,0,1]=4 2571 B8R0.5 CC(C)CC(C)SCF 62a_100015361967_100000731052 [0,2,0,0,0,0|1,0,1]=4 2572 B8R0.5 CC(C)CN(C)CC=O 2230a_100000747067_200015260668 [0,2,0,0,0,0|1,0,0]=3 2573 B8R0.5 CC(C)CN(C)CC=O 269982a_100000747067_200015260668 [0,2,0,0,0,0|1,0,0]=3 2574 B8R0.5 CC(O)CN(C)CC=O 2230a_100000227577_200015260668 [0,2,0,0,0,0|1,0,0]=3 2575 B8R0.5 CC(O)CN(C)CC=O 269982a_100000227577_200015260668 [0,2,0,0,0,0|1,0,0]=3 2576 B8R0.5 CCCC(=CC(=O)C)C 1458a_100020676950_200000210301 [0,2,0,0,0,0|0,0,1]=3 2577 B8R0.5 CCCC(=CC(=O)[13CH3])C 1458a_100020676950_200025704644 [0,2,0,0,0,0|0,0,1]=3 2578 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [0,2,0,0,0,0|1,0,1]=4 2579 B8R0.5 CCCC(=O)CC(=O)N 1458a_100000211992_100000187820 [0,2,0,0,0,0|1,0,1]=4 2580 B8R0.5 CCCC(=O)CC(=O)N 1458a_100134613110_100000210303 [0,2,0,0,0,0|1,0,1]=4 2581 B8R0.5 CCCC(=O)CC(=O)[O-] 1458a_100000211992_100020667443 [0,2,0,0,0,0|1,0,1]=4 2582 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [0,2,0,0,0,0|0,0,0]=2 2583 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [0,2,0,0,0,0|0,0,0]=2 2584 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [0,2,0,0,0,0|0,0,0]=2 2585 B8R0.5 CCCC(C)CN(C)C 2230a_100102631434_100011216630 [0,2,0,0,0,0|1,0,1]=4 2586 B8R0.5 CCCC(C)CN(C)C 269982a_100102631434_100011216630 [0,2,0,0,0,0|1,0,1]=4 2587 B8R0.5 CCCC(C)CN(C)C 270004a_100102631434_100000243154 [0,2,0,0,0,0|1,0,1]=4 2588 B8R0.5 CCCC(C)NC(=O)C 11a_100000741246_100015343762 [0,2,0,0,0,0|0,0,0]=2 2589 B8R0.5 CCCC(C)NC(=O)C 1626a_100000741246_100015343762 [0,2,0,0,0,0|0,0,0]=2 2590 B8R0.5 CCCC(C)NC(=O)C 240690a_100000741246_100015343762 [0,2,0,0,0,0|0,0,0]=2 2591 B8R0.5 CCCC(C)NC(=O)C 527a_100000741246_100103153847 [0,2,0,0,0,0|0,0,0]=2 2592 B8R0.5 CCCC(C)NC(C)C 2230a_100000741246_100000210206 [0,2,0,0,0,0|1,0,1]=4 2593 B8R0.5 CCCC(C)NC(C)C 2230a_100138425928_100000766640 [0,2,0,0,0,0|1,0,1]=4 2594 B8R0.5 CCCC(C)NC(C)C 34a_100138425928_100000766640 [0,2,0,0,0,0|1,0,1]=4 2595 B8R0.5 CCCC(C)OC(C)C 34a_100000212225_100000766640 [0,2,0,0,0,0|1,0,1]=4 2596 B8R0.5 CCCC(C)OC(C)C 34a_100000764384_100000210206 [0,2,0,0,0,0|1,0,1]=4 2597 B8R0.5 CCCC(C)OC(C)C 7a_100000764384_100000210206 [0,2,0,0,0,0|1,0,1]=4 2598 B8R0.5 CCCC(C)SC(C)C 62a_100000210206_100000766640 [0,2,0,0,0,0|1,0,1]=4 2599 B8R0.5 CCCC(C)SC(C)C 62a_100000766640_100000210206 [0,2,0,0,0,0|1,0,1]=4 2600 B8R0.5 CCCN(C)CC(=O)N 2230a_100000739694_100000210303 [0,2,0,0,0,0|1,0,0]=3 2601 B8R0.5 CCCN(C)CC(=O)N 2230a_100000747261_100000747473 [0,2,0,0,0,0|1,0,0]=3 2602 B8R0.5 CCCN(C)CC(=O)N 269982a_100000747261_100000187820 [0,2,0,0,0,0|1,0,0]=3 2603 B8R0.5 CCCN(C)CC(=O)O 269956a_100000746989_100000210207 [0,2,0,0,0,0|1,0,0]=3 2604 B8R0.5 CCCN(C)CC(=O)[O-] 269982a_100000747261_100020667443 [0,2,0,0,0,0|1,0,0]=3 2605 B8R0.5 CCCN(C)C[N+](=O)[O-] 269982a_100000747261_100000761209 [0,2,0,0,0,0|1,0,1]=4 2606 B8R0.5 CCCS(=O)CC(=O)C 1458a_100011387404_200000210301 [0,2,0,0,0,0|2,0,0]=4 2607 B8R0.5 CCCS(=O)CC(=O)[13CH3] 1458a_100011387404_200025704644 [0,2,0,0,0,0|2,0,0]=4 2608 B8R0.5 CCNC(C)CC(C)C 2230a_100000692259_100000210202 [0,2,0,0,0,0|1,0,1]=4 2609 B8R0.5 CCNC(C)CC(C)C 2230a_100015525214_100000731052 [0,2,0,0,0,0|1,0,1]=4 2610 B8R0.5 CCOC(C)C=C(C)C 34a_100000717055_100000210202 [0,2,0,0,0,0|2,0,0]=4 2611 B8R0.5 CCOC(C)CC(C)C 34a_100000211805_100000210202 [0,2,0,0,0,0|1,0,1]=4 2612 B8R0.5 CCOC(C)CC(C)C 34a_100121572206_100000731052 [0,2,0,0,0,0|1,0,1]=4 2613 B8R0.5 CCOC(C)CC(C)C 7a_100000211805_100000210202 [0,2,0,0,0,0|1,0,1]=4 2614 B8R0.5 CCSC(C)CC(=O)C 1458a_200011311441_200000210301 [0,2,0,0,0,0|1,0,0]=3 2615 B8R0.5 CCSC(C)CC(=O)[13CH3] 1458a_200011311441_200025704644 [0,2,0,0,0,0|1,0,0]=3 2616 B8R0.5 CCSC(C)CC(C)C 62a_100000210202_100000731052 [0,2,0,0,0,0|1,0,1]=4 2617 B8R0.5 CCSC(C)CC(C)C 62a_100000731052_100000210202 [0,2,0,0,0,0|1,0,1]=4 2618 B8R0.5 CCSC(C)OC(=O)C 62a_100000210202_100009818208 [0,2,0,0,0,0|1,0,0]=3 2619 B8R0.5 CCSC(C)OC(=O)C 62a_100009818208_100000210202 [0,2,0,0,0,0|1,0,0]=3 2620 B8R0.5 CN(CCF)CC(=O)N 2230a_100000739694_100011217306 [0,2,0,0,0,0|2,0,0]=4 2621 B8R0.5 CN(CCF)CC(=O)O 269956a_100000746989_100011217306 [0,2,0,0,0,0|2,0,0]=4 2622 B8R0.5 CN(CCO)CC(=O)N 2230a_100000210263_100000747473 [0,2,0,0,0,0|2,0,0]=4 2623 B8R0.5 CN(CCO)CC(=O)N 2230a_100000739694_100000211926 [0,2,0,0,0,0|2,0,0]=4 2624 B8R0.5 CN(CCO)CC(=O)N 269982a_100000210263_100000187820 [0,2,0,0,0,0|2,0,0]=4 2625 B8R0.5 CN(CCO)CC(=O)O 269956a_100000746989_100000211926 [0,2,0,0,0,0|2,0,0]=4 2626 B8R0.5 CN(CCO)CC(=O)O 269956a_100000747938_200000210301 [0,2,0,0,0,0|2,0,0]=4 2627 B8R0.5 CN(CCO)CC(=O)[O-] 269982a_100000210263_100020667443 [0,2,0,0,0,0|2,0,0]=4 2628 B8R0.5 CNCC(O)CC(=O)O 269956a_100011218706_200000210301 [0,2,0,0,0,0|2,0,0]=4 2629 B8R0.5 COCN(C)CC(=O)N 2230a_100000739694_100000766300 [0,2,0,0,0,0|2,0,0]=4 2630 B8R0.5 COCN(C)CC(=O)O 269956a_100000746989_100000766300 [0,2,0,0,0,0|2,0,0]=4 2631 B8R0.5 COC[C@@H](C)NC(=O)C 11a_100000764878_100015343762 [0,2,0,0,0,0|1,0,0]=3 2632 B8R0.5 COC[C@@H](C)NC(=O)C 1626a_100000764878_100015343762 [0,2,0,0,0,0|1,0,0]=3 2633 B8R0.5 COC[C@@H](C)NC(=O)C 240690a_100000764878_100015343762 [0,2,0,0,0,0|1,0,0]=3 2634 B8R0.5 COC[C@@H](C)NC(=O)C 527a_100000764878_100103153847 [0,2,0,0,0,0|1,0,0]=3 2635 B8R0.5 CSCN(C)CC(=O)N 2230a_100000739694_100011218213 [0,2,0,0,0,0|2,0,0]=4 2636 B8R0.5 CSCN(C)CC(=O)O 269956a_100000746989_100011218213 [0,2,0,0,0,0|2,0,0]=4 2637 B8R0.5 [13CH3]N(CCO)CC(=O)O 269956a_100000747938_200025704644 [0,2,0,0,0,0|2,0,0]=4 2638 B8R0.5 [13CH3]NCC(O)CC(=O)O 269956a_100011218706_200025704644 [0,2,0,0,0,0|2,0,0]=4 2639 B8R0.16 C#CC(CC(C)C)OC 34a_100011215986_200000210301 [0,2,0,0,0,0|1,0,1]=4 2640 B8R0.16 C#CC(CC(C)C)OC 7a_100011215986_200000210301 [0,2,0,0,0,0|1,0,1]=4 2641 B8R0.16 C#CC(CC(C)C)O[13CH3] 34a_100011215986_200025704644 [0,2,0,0,0,0|1,0,1]=4 2642 B8R0.16 C#CC(CC(C)C)O[13CH3] 7a_100011215986_200025704644 [0,2,0,0,0,0|1,0,1]=4 2643 B8R0.16 C=CC(CC(C)C)OC 34a_100012186643_200000210301 [0,2,0,0,0,0|1,0,0]=3 2644 B8R0.16 C=CC(CC(C)C)OC 7a_100012186643_200000210301 [0,2,0,0,0,0|1,0,0]=3 2645 B8R0.16 C=CC(CC(C)C)O[13CH3] 34a_100012186643_200025704644 [0,2,0,0,0,0|1,0,0]=3 2646 B8R0.16 C=CC(CC(C)C)O[13CH3] 7a_100012186643_200025704644 [0,2,0,0,0,0|1,0,0]=3 2647 B8R0.16 C=CC(CC)OC(C)C 34a_100000766422_100000210206 [0,2,0,0,0,0|2,0,0]=4 2648 B8R0.16 C=CC(CC)OC(C)C 7a_100000766422_100000210206 [0,2,0,0,0,0|2,0,0]=4 2649 B8R0.16 C=C[C@@H](CO)NC(C)C 2230a_100016989147_100000210206 [0,2,0,0,0,0|2,0,0]=4 2650 B8R0.16 C=C[C@@H](CO)NC(C)C 34a_100016989147_100000210206 [0,2,0,0,0,0|2,0,0]=4 2651 B8R0.16 CC(C)CC(C#N)N[13CH3] 2230a_100000741378_200025704644 [0,2,0,0,0,0|1,0,1]=4 2652 B8R0.16 CC(C)CC(C#N)O[13CH3] 34a_200011294978_200025704644 [0,2,0,0,0,0|1,0,1]=4 2653 B8R0.16 CC(C)CC(C#N)O[13CH3] 7a_200011294978_200025704644 [0,2,0,0,0,0|1,0,1]=4 2654 B8R0.16 CC(C)C[C@@H](CO)N[13CH3] 2230a_100011830311_200025704644 [0,2,0,0,0,0|0,0,2]=4 2655 B8R0.16 CC(C)C[C@@H](CO)N[13CH3] 34a_100011830311_200025704644 [0,2,0,0,0,0|0,0,2]=4 2656 B8R0.16 CC(C)NC(C=O)C=O 2230a_100138425928_100000736813 [0,2,0,0,0,0|1,0,1]=4 2657 B8R0.16 CC(C)NC(C=O)C=O 34a_100138425928_100000736813 [0,2,0,0,0,0|1,0,1]=4 2658 B8R0.16 CC(C)OC(C=O)C=O 34a_100000212225_100000736813 [0,2,0,0,0,0|1,0,1]=4 2659 B8R0.16 CC(C)SC(C=O)C=O 62a_100000210206_100000736813 [0,2,0,0,0,0|1,0,1]=4 2660 B8R0.16 CC(C)SC(C=O)C=O 62a_100000736813_100000210206 [0,2,0,0,0,0|1,0,1]=4 2661 B8R0.16 CNC(C#N)CC(C)C 2230a_100000741378_200000210301 [0,2,0,0,0,0|1,0,1]=4 2662 B8R0.16 CN[C@H](CO)CC(C)C 2230a_100011830311_200000210301 [0,2,0,0,0,0|0,0,2]=4 2663 B8R0.16 CN[C@H](CO)CC(C)C 34a_100011830311_200000210301 [0,2,0,0,0,0|0,0,2]=4 2664 B8R0.16 COC(C#N)CC(C)C 34a_200011294978_200000210301 [0,2,0,0,0,0|1,0,1]=4 2665 B8R0.16 COC(C#N)CC(C)C 7a_200011294978_200000210301 [0,2,0,0,0,0|1,0,1]=4 2666 B8R0.19 C#CC(C)NC(C)CC 2230a_100000707721_100000758301 [0,2,0,0,0,0|1,0,1]=4 2667 B8R0.19 C#CC(C)NC(C)CC 34a_100000707721_100011215416 [0,2,0,0,0,0|1,0,1]=4 2668 B8R0.19 C#CC(C)OC(C)C=C 34a_100000695699_200000035995 [0,2,0,0,0,0|2,0,0]=4 2669 B8R0.19 C#CC(C)SC(C)CC 62a_200000035995_100000758301 [0,2,0,0,0,0|1,0,1]=4 2670 B8R0.19 C#C[C@@H](C)OC(C)CC 34a_100009815206_100011215416 [0,2,0,0,0,0|1,0,1]=4 2671 B8R0.19 C#C[C@@H](C)OC(C)CC 7a_100009815206_100000758301 [0,2,0,0,0,0|1,0,1]=4 2672 B8R0.19 C=CC(C)CC(=O)CC 1458a_100011934298_100000210202 [0,2,0,0,0,0|1,0,0]=3 2673 B8R0.19 C=CC(C)CC(=O)CF 1458a_100011934298_100015361967 [0,2,0,0,0,0|1,0,1]=4 2674 B8R0.19 C=CC(C)CC(=O)NC 11a_106832991635_100011934298 [0,2,0,0,0,0|1,0,1]=4 2675 B8R0.19 C=CC(C)CC(=O)NC 1626a_100102657272_100011934298 [0,2,0,0,0,0|1,0,1]=4 2676 B8R0.19 C=CC(C)CC(=O)NC 240690a_100102657272_100011934298 [0,2,0,0,0,0|1,0,1]=4 2677 B8R0.19 C=CC(C)CC(=O)NC 527a_100102657272_100011934298 [0,2,0,0,0,0|1,0,1]=4 2678 B8R0.19 C=CC(C)OC(C)CC 34a_100000695699_100011215416 [0,2,0,0,0,0|1,0,0]=3 2679 B8R0.19 C=CC(C)OC(C)CO 34a_100000695699_100012180447 [0,2,0,0,0,0|2,0,0]=4 2680 B8R0.19 C=CC(C)SC(C)C#N 62a_100011215867_100000703298 [0,2,0,0,0,0|2,0,0]=4 2681 B8R0.19 C=CC(C)SC(C)CC 62a_100011215867_100000758301 [0,2,0,0,0,0|1,0,0]=3 2682 B8R0.19 C=CC(C)SC(C)OC 62a_100011215867_100009879195 [0,2,0,0,0,0|2,0,0]=4 2683 B8R0.19 C=CC(C)S[C@H](C)CO 62a_100011215867_100016084084 [0,2,0,0,0,0|2,0,0]=4 2684 B8R0.19 C=CC(O)CN(C)CC 2230a_100000225621_100000730141 [0,2,0,0,0,0|2,0,0]=4 2685 B8R0.19 CCC(=O)CC(C)CC 1458a_100000210414_100000748023 [0,2,0,0,0,0|1,0,1]=4 2686 B8R0.19 CCC(=O)CC(C)CC 1458a_100000708755_100000210202 [0,2,0,0,0,0|1,0,1]=4 2687 B8R0.19 CCC(=O)C[C@@H](C)CC 1458a_100000210414_100009816398 [0,2,0,0,0,0|1,0,1]=4 2688 B8R0.19 CCC(=O)C[C@@H](C)CO 1458a_100000210414_100000059175 [0,2,0,0,0,0|0,0,2]=4 2689 B8R0.19 CCC(C)CC(C)NC 2230a_100000763565_200000210301 [0,2,0,0,0,0|1,0,1]=4 2690 B8R0.19 CCC(C)CC(C)NC 270004a_106832991635_100011710205 [0,2,0,0,0,0|1,0,1]=4 2691 B8R0.19 CCC(C)CC(C)N[13CH3] 2230a_100000763565_200025704644 [0,2,0,0,0,0|1,0,1]=4 2692 B8R0.19 CCC(C)CN(C)CC 2230a_100000225621_100000748023 [0,2,0,0,0,0|1,0,1]=4 2693 B8R0.19 CCC(C)CN(C)CC 2230a_100000753921_100000210202 [0,2,0,0,0,0|1,0,1]=4 2694 B8R0.19 CCC(C)CN(C)CC 269982a_100000225621_100000748023 [0,2,0,0,0,0|1,0,1]=4 2695 B8R0.19 CCC(C)CN(C)CC 269982a_100000753921_100000204670 [0,2,0,0,0,0|1,0,1]=4 2696 B8R0.19 CCC(C)NC(C)C#N 2230a_100000209981_100000184139 [0,2,0,0,0,0|1,0,1]=4 2697 B8R0.19 CCC(C)NC(C)C#N 2230a_100000737613_100000758301 [0,2,0,0,0,0|1,0,1]=4 2698 B8R0.19 CCC(C)NC(C)CC 2230a_100000209981_100000758301 [0,2,0,0,0,0|1,0,1]=4 2699 B8R0.19 CCC(C)NC(C)CO 2230a_100000209981_100012180447 [0,2,0,0,0,0|0,0,2]=4 2700 B8R0.19 CCC(C)N[C@H](C)CO 2230a_100000737577_100000758301 [0,2,0,0,0,0|0,0,2]=4 2701 B8R0.19 CCC(C)OC(C)C#N 34a_100011218135_100011215416 [0,2,0,0,0,0|1,0,1]=4 2702 B8R0.19 CCC(C)OC(C)C#N 7a_100000210228_100000703298 [0,2,0,0,0,0|1,0,1]=4 2703 B8R0.19 CCC(C)OC(C)CC 7a_100000210228_100000758301 [0,2,0,0,0,0|1,0,1]=4 2704 B8R0.19 CCC(C)OC(C)CF 34a_100016041109_100011215416 [0,2,0,0,0,0|1,0,1]=4 2705 B8R0.19 CCC(C)OC(C)CF 7a_100016041109_100000758301 [0,2,0,0,0,0|1,0,1]=4 2706 B8R0.19 CCC(C)OC(C)CN 34a_100000210904_100011215416 [0,2,0,0,0,0|1,0,1]=4 2707 B8R0.19 CCC(C)OC(C)CO 7a_100000210228_100012180447 [0,2,0,0,0,0|0,0,2]=4 2708 B8R0.19 CCC(C)SC(C)C#N 62a_100000703298_100000758301 [0,2,0,0,0,0|1,0,1]=4 2709 B8R0.19 CCC(C)SC(C)C#N 62a_100000758301_100000703298 [0,2,0,0,0,0|1,0,1]=4 2710 B8R0.19 CCC(C)SC(C)CC 62a_100000758301_100000758301 [0,2,0,0,0,0|1,0,1]=4 2711 B8R0.19 CCC(C)SC(C)CO 62a_100012180447_100000758301 [0,2,0,0,0,0|0,0,2]=4 2712 B8R0.19 CCC(C)SC(C)OC 62a_100000758301_100009879195 [0,2,0,0,0,0|2,0,0]=4 2713 B8R0.19 CCC(C)SC(C)OC 62a_100009879195_100000758301 [0,2,0,0,0,0|2,0,0]=4 2714 B8R0.19 CCC(C)S[C@H](C)CO 62a_100000758301_100016084084 [0,2,0,0,0,0|0,0,2]=4 2715 B8R0.19 CCC(C)S[C@H](C)CO 62a_100016084084_100000758301 [0,2,0,0,0,0|0,0,2]=4 2716 B8R0.19 CCN(C)C[C@@H](C)CO 2230a_100000225621_100000059175 [0,2,0,0,0,0|0,0,2]=4 2717 B8R0.19 CCN(C)C[C@@H](C)CO 269982a_100000225621_100000059175 [0,2,0,0,0,0|0,0,2]=4 2718 B8R0.19 CC[C@H](C)CN(C)CC 2230a_100000225621_100009816398 [0,2,0,0,0,0|1,0,1]=4 2719 B8R0.19 CC[C@H](C)CN(C)CC 269982a_100000225621_100009816398 [0,2,0,0,0,0|1,0,1]=4 2720 B8R0.23 C=C(C)CN(C)C(=O)C 11a_100000225649_100015343762 [0,2,0,0,0,0|1,0,1]=4 2721 B8R0.23 C=C(C)CN(C)C(=O)C 1626a_100000225649_100015343762 [0,2,0,0,0,0|1,0,1]=4 2722 B8R0.23 C=C(C)CN(C)C(=O)C 527a_100000225649_100103153847 [0,2,0,0,0,0|1,0,1]=4 2723 B8R0.23 CC(=O)C(C)CC(C)C 1458a_100000070787_100000731052 [0,2,0,0,0,0|0,0,0]=2 2724 B8R0.23 CC(=O)C(C)CN(C)C 1458a_200015186601_200000210301 [0,2,0,0,0,0|1,0,0]=3 2725 B8R0.23 CC(=O)C(C)NC(C)C 2230a_100138425928_100009814033 [0,2,0,0,0,0|1,0,0]=3 2726 B8R0.23 CC(=O)C(C)OC(C)C 34a_100000212229_100000210206 [0,2,0,0,0,0|1,0,0]=3 2727 B8R0.23 CC(=O)C(C)SC(C)C 62a_100000210206_100009814033 [0,2,0,0,0,0|1,0,0]=3 2728 B8R0.23 CC(=O)C(C)SC(C)C 62a_100009814033_100000210206 [0,2,0,0,0,0|1,0,0]=3 2729 B8R0.23 CC(=O)CN(C)C(=O)C 1458a_100000194957_200000210301 [0,2,0,0,0,0|1,0,1]=4 2730 B8R0.23 CC(=O)CN(C)C(=O)N 1458a_100000218718_200000210301 [0,2,0,0,0,0|1,0,1]=4 2731 B8R0.23 CC(=O)N(C)CC(=O)[13CH3] 1458a_100000194957_200025704644 [0,2,0,0,0,0|1,0,1]=4 2732 B8R0.23 CC(=O)N(C)CC(C)C 11a_100000747067_100015343762 [0,2,0,0,0,0|1,0,0]=3 2733 B8R0.23 CC(=O)N(C)CC(C)C 1626a_100000747067_100015343762 [0,2,0,0,0,0|1,0,0]=3 2734 B8R0.23 CC(=O)N(C)CC(C)C 240690a_100000747067_100015343762 [0,2,0,0,0,0|1,0,0]=3 2735 B8R0.23 CC(=O)N(C)CC(C)C 527a_100000747067_100103153847 [0,2,0,0,0,0|1,0,0]=3 2736 B8R0.23 CC(=O)N(C)CC(C)O 240690a_100000227577_100015343762 [0,2,0,0,0,0|1,0,0]=3 2737 B8R0.23 CC(=O)N(C)CC(C)O 527a_100000227577_100103153847 [0,2,0,0,0,0|1,0,0]=3 2738 B8R0.23 CC(=O)N[C@H](C)C(=O)C 1458a_100011504603_200000210301 [0,2,0,0,0,0|1,0,1]=4 2739 B8R0.23 CC(=O)N[C@H](C)C(=O)N 11a_100000119354_100015343762 [0,2,0,0,0,0|1,0,1]=4 2740 B8R0.23 CC(=O)N[C@H](C)C(=O)N 240690a_100000119354_100015343762 [0,2,0,0,0,0|1,0,1]=4 2741 B8R0.23 CC(=O)N[C@H](C)C(=O)N 527a_100000119354_100103153847 [0,2,0,0,0,0|1,0,1]=4 2742 B8R0.23 CC(=O)N[C@H](C)C(=O)[13CH3] 1458a_100011504603_200025704644 [0,2,0,0,0,0|1,0,1]=4 2743 B8R0.23 CC(=O)OC(C)C(=O)C 1458a_100000070787_100009818208 [0,2,0,0,0,0|1,0,1]=4 2744 B8R0.23 CC(=O)O[C@@H](C)C(=O)C 1458a_100009816467_200000210301 [0,2,0,0,0,0|1,0,1]=4 2745 B8R0.23 CC(=O)O[C@@H](C)C(=O)[13CH3] 1458a_100009816467_200025704644 [0,2,0,0,0,0|1,0,1]=4 2746 B8R0.23 CC(=O)[C@@H](O)CC(C)C 1458a_100012027011_200000210301 [0,2,0,0,0,0|1,0,0]=3 2747 B8R0.23 CC(C)CC(C)N(C)C 2230a_100000745462_200000210301 [0,2,0,0,0,0|2,0,0]=4 2748 B8R0.23 CC(C)CC(C)N(C)C 2230a_100102631434_100000731052 [0,2,0,0,0,0|2,0,0]=4 2749 B8R0.23 CC(C)CC(C)N(C)C 269982a_100000745462_200000210301 [0,2,0,0,0,0|2,0,0]=4 2750 B8R0.23 CC(C)CC(C)N(C)C 269982a_100102631434_100000731052 [0,2,0,0,0,0|2,0,0]=4 2751 B8R0.23 CC(C)CC(C)N(C)[13CH3] 2230a_100000745462_200025704644 [0,2,0,0,0,0|2,0,0]=4 2752 B8R0.23 CC(C)CC(C)N(C)[13CH3] 269982a_100000745462_200025704644 [0,2,0,0,0,0|2,0,0]=4 2753 B8R0.23 CC(C)C[C@H](O)C(=O)[13CH3] 1458a_100012027011_200025704644 [0,2,0,0,0,0|1,0,0]=3 2754 B8R0.23 CC(C)NC(C)C(=O)N 2230a_100138425928_100000702099 [0,2,0,0,0,0|1,0,0]=3 2755 B8R0.23 CC(C)NC(C)C(=O)N 34a_100138425928_100000702099 [0,2,0,0,0,0|1,0,0]=3 2756 B8R0.23 CC(C)NC(F)C(=O)N 2230a_100138425928_100009813875 [0,2,0,0,0,0|2,0,0]=4 2757 B8R0.23 CC(C)NC(F)C(=O)N 34a_100138425928_100009813875 [0,2,0,0,0,0|2,0,0]=4 2758 B8R0.23 CC(C)NC(F)C(=O)[O-] 34a_100138425928_100020610796 [0,2,0,0,0,0|2,0,0]=4 2759 B8R0.23 CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000210206 [0,2,0,0,0,0|1,0,0]=3 2760 B8R0.23 CC(C)N[C@H](C)C(=O)N 2230a_100000119354_100000210206 [0,2,0,0,0,0|1,0,0]=3 2761 B8R0.23 CC(C)N[C@H](C)C(=O)N 34a_100000119354_100000210206 [0,2,0,0,0,0|1,0,0]=3 2762 B8R0.23 CC(C)OC(C)C(=O)N 34a_100000212225_100000702099 [0,2,0,0,0,0|1,0,0]=3 2763 B8R0.23 CC(C)OC(F)C(=O)N 34a_100000212225_100009813875 [0,2,0,0,0,0|2,0,0]=4 2764 B8R0.23 CC(C)OC(F)C(=O)[O-] 34a_100000212225_100020610796 [0,2,0,0,0,0|2,0,0]=4 2765 B8R0.23 CC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000210206 [0,2,0,0,0,0|1,0,0]=3 2766 B8R0.23 CC(C)O[C@H](C)C(=O)N 34a_100000731257_100000210206 [0,2,0,0,0,0|1,0,0]=3 2767 B8R0.23 CC(C)O[C@H](C)C(=O)N 7a_100000731257_100000210206 [0,2,0,0,0,0|1,0,0]=3 2768 B8R0.23 CC(C)SC(C)C(=O)N 62a_100000210206_100000702099 [0,2,0,0,0,0|1,0,0]=3 2769 B8R0.23 CC(C)SC(C)C(=O)N 62a_100000702099_100000210206 [0,2,0,0,0,0|1,0,0]=3 2770 B8R0.23 CC(C)SC(F)C(=O)N 62a_100000210206_100009813875 [0,2,0,0,0,0|2,0,0]=4 2771 B8R0.23 CC(C)SC(F)C(=O)N 62a_100009813875_100000210206 [0,2,0,0,0,0|2,0,0]=4 2772 B8R0.23 CC(C)SC(F)C(=O)[O-] 62a_100000210206_100020610796 [0,2,0,0,0,0|2,0,0]=4 2773 B8R0.23 CC(C)SC(F)C(=O)[O-] 62a_100020610796_100000210206 [0,2,0,0,0,0|2,0,0]=4 2774 B8R0.23 CC(CN(C)C)C(=O)[13CH3] 1458a_200015186601_200025704644 [0,2,0,0,0,0|1,0,0]=3 2775 B8R0.23 CN(CC(=O)[13CH3])C(=O)N 1458a_100000218718_200025704644 [0,2,0,0,0,0|1,0,1]=4 2776 B8R0.24 C=CC(C)OC(C)(C)C 34a_100000695699_100000210625 [0,2,0,0,0,0|2,0,0]=4 2777 B8R0.24 C=CC(C)SC(C)(C)C 62a_100011215867_100000211941 [0,2,0,0,0,0|2,0,0]=4 2778 B8R0.24 CC(CC(C)(C)C)O[13CH3] 7a_200011218616_200025704644 [0,2,0,0,0,0|2,0,0]=4 2779 B8R0.24 CN[C@@H](C)CC(C)(C)C 2230a_106358413534_200000210301 [0,2,0,0,0,0|2,0,0]=4 2780 B8R0.24 COC(C)CC(C)(C)C 7a_200011218616_200000210301 [0,2,0,0,0,0|2,0,0]=4 2781 B8R0.24 C[C@@H](CC(C)(C)C)N[13CH3] 2230a_106358413534_200025704644 [0,2,0,0,0,0|2,0,0]=4 2782 B8R0.34 C=CC(C)(C)OC(C)C 34a_100011215311_100000210206 [0,2,0,0,0,0|2,0,0]=4 2783 B8R0.34 C=CC(C)(C)OC(C)C 7a_100011215311_100000210206 [0,2,0,0,0,0|2,0,0]=4 2784 B8R0.34 CC(C)CC(C)(C)N[13CH3] 2230a_100011346068_200025704644 [0,2,0,0,0,0|2,0,0]=4 2785 B8R0.34 CNC(C)(C)CC(C)C 2230a_100011346068_200000210301 [0,2,0,0,0,0|2,0,0]=4 2786 B8R0.1 C#CCC(C)OCC=O 34a_100000685586_200009817547 [0,2,0,0,0,0|0,0,2]=4 2787 B8R0.1 C#CCC(C)OCC=O 7a_100000685586_200015260668 [0,2,0,0,0,0|0,0,2]=4 2788 B8R0.1 C#CCC(C)OCCC 34a_100000685586_100000210303 [0,2,0,0,0,0|1,0,1]=4 2789 B8R0.1 C#CCC(C)OCCC 7a_100000685586_100000210303 [0,2,0,0,0,0|1,0,1]=4 2790 B8R0.1 C#CCNC(C)CCC 2230a_100000741246_100000038162 [0,2,0,0,0,0|1,0,1]=4 2791 B8R0.1 C#CCNC(C)CCC 34a_100000212058_100000766640 [0,2,0,0,0,0|1,0,1]=4 2792 B8R0.1 C#CCOC(C)CCC 34a_100000210247_100000766640 [0,2,0,0,0,0|1,0,1]=4 2793 B8R0.1 C#CCOC(C)CCC 34a_100000764384_100000184674 [0,2,0,0,0,0|1,0,1]=4 2794 B8R0.1 C#CCOC(C)CCC 7a_100000764384_100000038162 [0,2,0,0,0,0|1,0,1]=4 2795 B8R0.1 C#CCSC(C)CCC 62a_100000038162_100000766640 [0,2,0,0,0,0|1,0,1]=4 2796 B8R0.1 C/C=C/C(C)OCC=O 34a_200102604097_200009817547 [0,2,0,0,0,0|0,0,2]=4 2797 B8R0.1 C/C=C/C(C)OCCC 34a_200102604097_100000210303 [0,2,0,0,0,0|1,0,0]=3 2798 B8R0.1 C/C=C/C(C)OCCF 34a_200102604097_100011217306 [0,2,0,0,0,0|2,0,0]=4 2799 B8R0.1 C/C=C/C(C)OCCO 34a_200102604097_100000211926 [0,2,0,0,0,0|2,0,0]=4 2800 B8R0.1 C/C=C/C(C)OCSC 34a_200102604097_100011218213 [0,2,0,0,0,0|2,0,0]=4 2801 B8R0.1 C/C=C/CN(C)CCC 269982a_100000747261_100102629194 [0,2,0,0,0,0|2,0,0]=4 2802 B8R0.1 C=CCC(C)COCC 34a_100009832082_100000210202 [0,2,0,0,0,0|1,0,0]=3 2803 B8R0.1 C=CCC(C)COCC 7a_100009832082_100000210202 [0,2,0,0,0,0|1,0,0]=3 2804 B8R0.1 C=CCC(C)COCF 34a_100009832082_100015361967 [0,2,0,0,0,0|2,0,0]=4 2805 B8R0.1 C=CCC(C)COCF 7a_100009832082_100015361967 [0,2,0,0,0,0|2,0,0]=4 2806 B8R0.1 C=CCCC(C)NCC 270004a_100015525214_100000762624 [0,2,0,0,0,0|2,0,0]=4 2807 B8R0.1 C=CCCC(C)OCC 34a_100000765329_100000210202 [0,2,0,0,0,0|2,0,0]=4 2808 B8R0.1 C=CCCC(C)OCC 7a_100000765329_100000210202 [0,2,0,0,0,0|2,0,0]=4 2809 B8R0.1 C=CCCN(C)CC=O 2230a_100020639649_200015260668 [0,2,0,0,0,0|1,0,1]=4 2810 B8R0.1 C=CCCN(C)CC=O 269982a_100020639649_200015260668 [0,2,0,0,0,0|1,0,1]=4 2811 B8R0.1 C=CCCN(C)CCC 2230a_100000747261_100000754431 [0,2,0,0,0,0|2,0,0]=4 2812 B8R0.1 C=CCCN(C)CCC 2230a_100020639649_100000210303 [0,2,0,0,0,0|2,0,0]=4 2813 B8R0.1 C=CCCN(C)CCC 269982a_100000747261_100000754431 [0,2,0,0,0,0|2,0,0]=4 2814 B8R0.1 C=CCCN(C)CCC 269982a_100020639649_100000210303 [0,2,0,0,0,0|2,0,0]=4 2815 B8R0.1 C=CCN(C)CCCC 2230a_100000207549_100000210623 [0,2,0,0,0,0|2,0,0]=4 2816 B8R0.1 C=CCN(C)CCCC 2230a_100000225617_100000210211 [0,2,0,0,0,0|2,0,0]=4 2817 B8R0.1 C=CCN(C)CCCC 269982a_100000207549_100000210623 [0,2,0,0,0,0|2,0,0]=4 2818 B8R0.1 C=CCN(C)CCCC 269982a_100000225617_100000210211 [0,2,0,0,0,0|2,0,0]=4 2819 B8R0.1 C=CCN(C)CCCF 2230a_100000225617_100011934791 [0,2,0,0,0,0|2,0,0]=4 2820 B8R0.1 C=CCN(C)CCCF 269982a_100000225617_100011934791 [0,2,0,0,0,0|2,0,0]=4 2821 B8R0.1 C=CCN(C)CCCO 2230a_100000213112_100000210623 [0,2,0,0,0,0|2,0,0]=4 2822 B8R0.1 C=CCN(C)CCCO 2230a_100000225617_100000230001 [0,2,0,0,0,0|2,0,0]=4 2823 B8R0.1 C=CCN(C)CCCO 269982a_100000213112_100000210623 [0,2,0,0,0,0|2,0,0]=4 2824 B8R0.1 C=CCN(C)CCCO 269982a_100000225617_100011215043 [0,2,0,0,0,0|2,0,0]=4 2825 B8R0.1 C=CCN(C)CCOC 2230a_100000225617_100011201679 [0,2,0,0,0,0|2,0,0]=4 2826 B8R0.1 C=CCN(C)CCOC 2230a_100000743101_100000210623 [0,2,0,0,0,0|2,0,0]=4 2827 B8R0.1 C=CCN(C)CCOC 269982a_100000225617_100000233755 [0,2,0,0,0,0|2,0,0]=4 2828 B8R0.1 C=CCN(C)CCOC 269982a_100000743101_100000210623 [0,2,0,0,0,0|2,0,0]=4 2829 B8R0.1 C=CCN(C)CCSC 2230a_100000225617_100000751147 [0,2,0,0,0,0|2,0,0]=4 2830 B8R0.1 C=CCN(C)CCSC 2230a_100000686725_100000210623 [0,2,0,0,0,0|2,0,0]=4 2831 B8R0.1 C=CCN(C)CCSC 269982a_100000225617_100000212216 [0,2,0,0,0,0|2,0,0]=4 2832 B8R0.1 C=CCN(C)CCSC 269982a_100000686725_100000210623 [0,2,0,0,0,0|2,0,0]=4 2833 B8R0.1 C=CCN(C)COCC 269982a_100000225617_100000739092 [0,2,0,0,0,0|2,0,0]=4 2834 B8R0.1 C=CCNC(C)CCC 2230a_100000741246_100000210623 [0,2,0,0,0,0|1,0,0]=3 2835 B8R0.1 C=CCNC(C)CCC 2230a_100020586998_100000766640 [0,2,0,0,0,0|1,0,0]=3 2836 B8R0.1 C=CCNC(C)CCC 270004a_100020586998_100000211909 [0,2,0,0,0,0|1,0,0]=3 2837 B8R0.1 C=CCNC(C)CCO 2230a_100020586998_100009893172 [0,2,0,0,0,0|2,0,0]=4 2838 B8R0.1 C=CCNC(C)COC 2230a_100020586998_100000765312 [0,2,0,0,0,0|2,0,0]=4 2839 B8R0.1 C=CCNC(C)COC 270004a_100020586998_100000749346 [0,2,0,0,0,0|2,0,0]=4 2840 B8R0.1 C=CCNC(C)CSC 270004a_100020586998_100011216314 [0,2,0,0,0,0|2,0,0]=4 2841 B8R0.1 C=CCN[C@H](C)CCO 2230a_100000706166_100000210623 [0,2,0,0,0,0|2,0,0]=4 2842 B8R0.1 C=CCN[C@H](C)CCO 34a_100000706166_100015514636 [0,2,0,0,0,0|2,0,0]=4 2843 B8R0.1 C=CCN[C@H](C)COC 2230a_100000764878_100000210623 [0,2,0,0,0,0|2,0,0]=4 2844 B8R0.1 C=CCOC(C)CCBr 34a_100012276601_100015514636 [0,2,0,0,0,0|2,0,0]=4 2845 B8R0.1 C=CCOC(C)CCC 34a_100000764384_100015514636 [0,2,0,0,0,0|1,0,0]=3 2846 B8R0.1 C=CCOC(C)CCC 34a_200000210373_100000766640 [0,2,0,0,0,0|1,0,0]=3 2847 B8R0.1 C=CCOC(C)CCC 7a_100000764384_100015514636 [0,2,0,0,0,0|1,0,0]=3 2848 B8R0.1 C=CCOC(C)CCO 34a_200000210373_100009893172 [0,2,0,0,0,0|2,0,0]=4 2849 B8R0.1 C=CCOC(C)COC 34a_200000210373_100000765312 [0,2,0,0,0,0|2,0,0]=4 2850 B8R0.1 C=CCO[C@H](C)COC 34a_100011934205_100015514636 [0,2,0,0,0,0|2,0,0]=4 2851 B8R0.1 C=CCSC(C)CCC 62a_100000210623_100000766640 [0,2,0,0,0,0|1,0,0]=3 2852 B8R0.1 C=CCSC(C)CCC 62a_100000766640_100000210623 [0,2,0,0,0,0|1,0,0]=3 2853 B8R0.1 C=CCSC(C)CCO 62a_100000210623_100009893172 [0,2,0,0,0,0|2,0,0]=4 2854 B8R0.1 C=CCSC(C)CCO 62a_100009893172_100000210623 [0,2,0,0,0,0|2,0,0]=4 2855 B8R0.1 C=CCSC(C)COC 62a_100000210623_100000765312 [0,2,0,0,0,0|2,0,0]=4 2856 B8R0.1 C=CCSC(C)COC 62a_100000765312_100000210623 [0,2,0,0,0,0|2,0,0]=4 2857 B8R0.1 C=CC[C@@H](C)OCC=O 34a_100000731007_200009817547 [0,2,0,0,0,0|0,0,2]=4 2858 B8R0.1 C=CC[C@@H](C)OCC=O 7a_100000731007_200015260668 [0,2,0,0,0,0|0,0,2]=4 2859 B8R0.1 C=CC[C@@H](C)OCCC 34a_100000731007_100000210303 [0,2,0,0,0,0|1,0,0]=3 2860 B8R0.1 C=CC[C@@H](C)OCCC 7a_100000731007_100000210303 [0,2,0,0,0,0|1,0,0]=3 2861 B8R0.1 C=CC[C@@H](C)OCCF 34a_100000731007_100011217306 [0,2,0,0,0,0|2,0,0]=4 2862 B8R0.1 C=CC[C@@H](C)OCCF 7a_100000731007_100011217306 [0,2,0,0,0,0|2,0,0]=4 2863 B8R0.1 C=CC[C@@H](C)OCCO 34a_100000731007_100000211926 [0,2,0,0,0,0|2,0,0]=4 2864 B8R0.1 C=CC[C@@H](C)OCCO 7a_100000731007_100000211926 [0,2,0,0,0,0|2,0,0]=4 2865 B8R0.1 C=CC[C@@H](C)OCSC 34a_100000731007_100011218213 [0,2,0,0,0,0|2,0,0]=4 2866 B8R0.1 C=CC[C@@H](N)COCC 34a_100020615467_100000210202 [0,2,0,0,0,0|2,0,0]=4 2867 B8R0.1 CC#CC(C)OCC=O 34a_100011216543_200009817547 [0,2,0,0,0,0|0,0,2]=4 2868 B8R0.1 CC#CC(C)OCCC 34a_100011216543_100000210303 [0,2,0,0,0,0|1,0,1]=4 2869 B8R0.1 CC(CC#N)SCC=O 62a_100009813641_200015260668 [0,2,0,0,0,0|1,0,1]=4 2870 B8R0.1 CC(CC#N)SCC=O 62a_200015260668_100009813641 [0,2,0,0,0,0|1,0,1]=4 2871 B8R0.1 CC(CCBr)OCC=O 34a_100012276601_200009817547 [0,2,0,0,0,0|1,0,0]=3 2872 B8R0.1 CC(CCCCl)OCF 34a_200000718107_100015361967 [0,2,0,0,0,0|1,0,1]=4 2873 B8R0.1 CC(CCCCl)OCF 7a_200000718107_100015361967 [0,2,0,0,0,0|1,0,1]=4 2874 B8R0.1 CC(CCO)SCC=O 62a_100009893172_200015260668 [0,2,0,0,0,0|1,0,0]=3 2875 B8R0.1 CC(CCO)SCC=O 62a_200015260668_100009893172 [0,2,0,0,0,0|1,0,0]=3 2876 B8R0.1 CC=CCN(C)CCC 2230a_100000747261_100000070051 [0,2,0,0,0,0|2,0,0]=4 2877 B8R0.1 CCCC(C)CCOC 34a_100011217855_200000210301 [0,2,0,0,0,0|0,0,2]=4 2878 B8R0.1 CCCC(C)CCOC 7a_100011217855_200000210301 [0,2,0,0,0,0|0,0,2]=4 2879 B8R0.1 CCCC(C)CCO[13CH3] 34a_100011217855_200025704644 [0,2,0,0,0,0|0,0,2]=4 2880 B8R0.1 CCCC(C)CCO[13CH3] 7a_100011217855_200025704644 [0,2,0,0,0,0|0,0,2]=4 2881 B8R0.1 CCCC(C)CNCC 2230a_100015525214_100011216630 [0,2,0,0,0,0|1,0,1]=4 2882 B8R0.1 CCCC(C)CNCC 270004a_100015525214_100000243154 [0,2,0,0,0,0|1,0,1]=4 2883 B8R0.1 CCCC(C)COCC 34a_100000688023_100000210202 [0,2,0,0,0,0|0,0,2]=4 2884 B8R0.1 CCCC(C)COCC 34a_100121572206_100011216630 [0,2,0,0,0,0|0,0,2]=4 2885 B8R0.1 CCCC(C)COCC 7a_100000688023_100000210202 [0,2,0,0,0,0|0,0,2]=4 2886 B8R0.1 CCCC(C)COCF 34a_100000688023_100015361967 [0,2,0,0,0,0|0,0,2]=4 2887 B8R0.1 CCCC(C)COCF 7a_100000688023_100015361967 [0,2,0,0,0,0|0,0,2]=4 2888 B8R0.1 CCCC(C)CSCC 62a_100000210202_100011216630 [0,2,0,0,0,0|0,1,1]=4 2889 B8R0.1 CCCC(C)CSCC 62a_100011216630_100000210202 [0,2,0,0,0,0|0,1,1]=4 2890 B8R0.1 CCCC(C)CSCF 62a_100011216630_100015361967 [0,2,0,0,0,0|0,1,1]=4 2891 B8R0.1 CCCC(C)CSCF 62a_100015361967_100011216630 [0,2,0,0,0,0|0,1,1]=4 2892 B8R0.1 CCCC(C)NCC#N 2230a_100000741246_100011215382 [0,2,0,0,0,0|1,0,1]=4 2893 B8R0.1 CCCC(C)NCC=O 2230a_100000741246_200015260668 [0,2,0,0,0,0|0,0,0]=2 2894 B8R0.1 CCCC(C)NCCF 2230a_100000741246_100011217306 [0,2,0,0,0,0|1,0,1]=4 2895 B8R0.1 CCCC(C)NCCF 34a_100000724931_100000766640 [0,2,0,0,0,0|1,0,1]=4 2896 B8R0.1 CCCC(C)NCCO 2230a_100000741246_100000211926 [0,2,0,0,0,0|0,0,2]=4 2897 B8R0.1 CCCC(C)NCCO 2230a_100016997473_100000766640 [0,2,0,0,0,0|0,0,2]=4 2898 B8R0.1 CCCC(C)NCCO 270004a_100000210304_100000211909 [0,2,0,0,0,0|0,0,2]=4 2899 B8R0.1 CCCC(C)NCCO 34a_100016990907_100000766640 [0,2,0,0,0,0|0,0,2]=4 2900 B8R0.1 CCCC(C)NCOC 2230a_100000741246_100000766300 [0,2,0,0,0,0|0,0,2]=4 2901 B8R0.1 CCCC(C)NCSC 2230a_100000741246_100011218213 [0,2,0,0,0,0|0,1,1]=4 2902 B8R0.1 CCCC(C)OCC#N 7a_100000764384_100011215382 [0,2,0,0,0,0|1,0,1]=4 2903 B8R0.1 CCCC(C)OCC=O 34a_100000764384_200009817547 [0,2,0,0,0,0|0,0,0]=2 2904 B8R0.1 CCCC(C)OCC=O 7a_100000764384_200015260668 [0,2,0,0,0,0|0,0,0]=2 2905 B8R0.1 CCCC(C)OCCBr 34a_100000211926_100000766640 [0,2,0,0,0,0|1,0,1]=4 2906 B8R0.1 CCCC(C)OCCF 34a_100000764384_100011217306 [0,2,0,0,0,0|1,0,1]=4 2907 B8R0.1 CCCC(C)OCCF 7a_100000764384_100011217306 [0,2,0,0,0,0|1,0,1]=4 2908 B8R0.1 CCCC(C)OCCN 34a_100000210304_100000766640 [0,2,0,0,0,0|1,0,1]=4 2909 B8R0.1 CCCC(C)OCCO 34a_100000764384_100000211926 [0,2,0,0,0,0|0,0,2]=4 2910 B8R0.1 CCCC(C)OCCO 7a_100000764384_100000211926 [0,2,0,0,0,0|0,0,2]=4 2911 B8R0.1 CCCC(C)OCSC 34a_100000764384_100011218213 [0,2,0,0,0,0|0,1,1]=4 2912 B8R0.1 CCCC(C)SCC#N 62a_100000766640_100011215382 [0,2,0,0,0,0|1,0,1]=4 2913 B8R0.1 CCCC(C)SCC#N 62a_100011215382_100000766640 [0,2,0,0,0,0|1,0,1]=4 2914 B8R0.1 CCCC(C)SCC=O 62a_100000766640_200015260668 [0,2,0,0,0,0|0,0,0]=2 2915 B8R0.1 CCCC(C)SCC=O 62a_200015260668_100000766640 [0,2,0,0,0,0|0,0,0]=2 2916 B8R0.1 CCCC(C)SCCF 62a_100000766640_100011217306 [0,2,0,0,0,0|1,0,1]=4 2917 B8R0.1 CCCC(C)SCCF 62a_100011217306_100000766640 [0,2,0,0,0,0|1,0,1]=4 2918 B8R0.1 CCCC(C)SCCO 62a_100000211926_100000766640 [0,2,0,0,0,0|0,0,2]=4 2919 B8R0.1 CCCC(C)SCCO 62a_100000766640_100000211926 [0,2,0,0,0,0|0,0,2]=4 2920 B8R0.1 CCCC(C)SCOC 62a_100000766300_100000766640 [0,2,0,0,0,0|0,0,2]=4 2921 B8R0.1 CCCC(C)SCOC 62a_100000766640_100000766300 [0,2,0,0,0,0|0,0,2]=4 2922 B8R0.1 CCCC(C)SCSC 62a_100000766640_100011218213 [0,2,0,0,0,0|0,1,1]=4 2923 B8R0.1 CCCC(C)SCSC 62a_100011218213_100000766640 [0,2,0,0,0,0|0,1,1]=4 2924 B8R0.1 CCCCC(C)COC 34a_100011995851_200000210301 [0,2,0,0,0,0|0,0,2]=4 2925 B8R0.1 CCCCC(C)COC 7a_100011995851_200000210301 [0,2,0,0,0,0|0,0,2]=4 2926 B8R0.1 CCCCC(C)CO[13CH3] 34a_100011995851_200025704644 [0,2,0,0,0,0|0,0,2]=4 2927 B8R0.1 CCCCC(C)CO[13CH3] 7a_100011995851_200025704644 [0,2,0,0,0,0|0,0,2]=4 2928 B8R0.1 CCCCC(C)NCC 2230a_100000126638_100000210202 [0,2,0,0,0,0|1,0,1]=4 2929 B8R0.1 CCCCC(C)NCC 2230a_100015525214_200011215066 [0,2,0,0,0,0|1,0,1]=4 2930 B8R0.1 CCCCC(C)NCC 270004a_100015525214_100000210087 [0,2,0,0,0,0|1,0,1]=4 2931 B8R0.1 CCCCC(C)OCC 34a_100000687866_100000210202 [0,2,0,0,0,0|1,0,1]=4 2932 B8R0.1 CCCCC(C)OCC 34a_100121572206_200011215066 [0,2,0,0,0,0|1,0,1]=4 2933 B8R0.1 CCCCC(C)OCC 7a_100000687866_100000210202 [0,2,0,0,0,0|1,0,1]=4 2934 B8R0.1 CCCCC(C)OCF 34a_100000687866_100015361967 [0,2,0,0,0,0|1,0,1]=4 2935 B8R0.1 CCCCC(C)OCF 7a_100000687866_100015361967 [0,2,0,0,0,0|1,0,1]=4 2936 B8R0.1 CCCCC(C)SCC 62a_100000210202_200011215066 [0,2,0,0,0,0|1,0,1]=4 2937 B8R0.1 CCCCC(C)SCC 62a_200011215066_100000210202 [0,2,0,0,0,0|1,0,1]=4 2938 B8R0.1 CCCCC(C)SCF 62a_100015361967_200011215066 [0,2,0,0,0,0|1,0,1]=4 2939 B8R0.1 CCCCC(C)SCF 62a_200011215066_100015361967 [0,2,0,0,0,0|1,0,1]=4 2940 B8R0.1 CCCCN(C)CC=O 2230a_100000207549_200015260668 [0,2,0,0,0,0|1,0,0]=3 2941 B8R0.1 CCCCN(C)CC=O 269982a_100000207549_200015260668 [0,2,0,0,0,0|1,0,0]=3 2942 B8R0.1 CCCNC(C)CCC 2230a_100000741246_100000210303 [0,2,0,0,0,0|1,0,1]=4 2943 B8R0.1 CCCNC(C)CCC 270004a_100020643023_100000211909 [0,2,0,0,0,0|1,0,1]=4 2944 B8R0.1 CCCNC(C)COC 270004a_100020643023_100000749346 [0,2,0,0,0,0|0,0,2]=4 2945 B8R0.1 CCCNC(C)CSC 270004a_100020643023_100011216314 [0,2,0,0,0,0|0,1,1]=4 2946 B8R0.1 CCCN[C@@H](C)CC#N 2230a_100016994482_100000210303 [0,2,0,0,0,0|1,0,1]=4 2947 B8R0.1 CCCN[C@H](C)CCO 2230a_100000706166_100000210303 [0,2,0,0,0,0|0,0,2]=4 2948 B8R0.1 CCCN[C@H](C)CCO 34a_100000706166_100000210303 [0,2,0,0,0,0|0,0,2]=4 2949 B8R0.1 CCCN[C@H](C)COC 2230a_100000764878_100000210303 [0,2,0,0,0,0|0,0,2]=4 2950 B8R0.1 CCCOC(C)CCBr 34a_100012276601_100000210303 [0,2,0,0,0,0|1,0,1]=4 2951 B8R0.1 CCCOC(C)CCC 34a_100000210258_100000766640 [0,2,0,0,0,0|1,0,1]=4 2952 B8R0.1 CCCOC(C)CCC 34a_100000764384_100000210303 [0,2,0,0,0,0|1,0,1]=4 2953 B8R0.1 CCCOC(C)CCC 7a_100000764384_100000210303 [0,2,0,0,0,0|1,0,1]=4 2954 B8R0.1 CCCOC(C)CCO 34a_100000210258_100009893172 [0,2,0,0,0,0|0,0,2]=4 2955 B8R0.1 CCCOC(C)CNC 2230a_100015185124_200000210301 [0,2,0,0,0,0|1,0,1]=4 2956 B8R0.1 CCCOC(C)CNC 34a_100015185124_200000210301 [0,2,0,0,0,0|1,0,1]=4 2957 B8R0.1 CCCOC(C)CN[13CH3] 2230a_100015185124_200025704644 [0,2,0,0,0,0|1,0,1]=4 2958 B8R0.1 CCCOC(C)CN[13CH3] 34a_100015185124_200025704644 [0,2,0,0,0,0|1,0,1]=4 2959 B8R0.1 CCCOC(C)COC 34a_100000210258_100000765312 [0,2,0,0,0,0|0,0,2]=4 2960 B8R0.1 CCCO[C@H](C)COC 34a_100011934205_100000210303 [0,2,0,0,0,0|0,0,2]=4 2961 B8R0.1 CCCSC(C)CC#N 62a_100000210303_100009813641 [0,2,0,0,0,0|1,0,1]=4 2962 B8R0.1 CCCSC(C)CC#N 62a_100009813641_100000210303 [0,2,0,0,0,0|1,0,1]=4 2963 B8R0.1 CCCSC(C)CCC 62a_100000210303_100000766640 [0,2,0,0,0,0|1,0,1]=4 2964 B8R0.1 CCCSC(C)CCC 62a_100000766640_100000210303 [0,2,0,0,0,0|1,0,1]=4 2965 B8R0.1 CCCSC(C)CCO 62a_100000210303_100009893172 [0,2,0,0,0,0|0,0,2]=4 2966 B8R0.1 CCCSC(C)CCO 62a_100009893172_100000210303 [0,2,0,0,0,0|0,0,2]=4 2967 B8R0.1 CCCSC(C)COC 62a_100000210303_100000765312 [0,2,0,0,0,0|0,0,2]=4 2968 B8R0.1 CCCSC(C)COC 62a_100000765312_100000210303 [0,2,0,0,0,0|0,0,2]=4 2969 B8R0.1 CCNC(C)CCOC 270004a_100015525214_100000742357 [0,2,0,0,0,0|1,0,1]=4 2970 B8R0.1 CCNC(C)CCSC 270004a_100015525214_100011217047 [0,2,0,0,0,0|1,0,1]=4 2971 B8R0.1 CCNC(C)CSCC 270004a_100015525214_200011216171 [0,2,0,0,0,0|1,0,1]=4 2972 B8R0.1 CCOC(C)CCCCl 34a_200000718107_100000210202 [0,2,0,0,0,0|1,0,1]=4 2973 B8R0.1 CCOC(C)CCCCl 7a_200000718107_100000210202 [0,2,0,0,0,0|1,0,1]=4 2974 B8R0.1 CCOCC(C)CCN 34a_106354213184_100000210202 [0,2,0,0,0,0|1,0,1]=4 2975 B8R0.1 CCOCC(C)OCC 34a_100000718985_100000210202 [0,2,0,0,0,0|1,0,1]=4 2976 B8R0.1 CCOCC(C)OCC 7a_100000718985_100000210202 [0,2,0,0,0,0|1,0,1]=4 2977 B8R0.1 CCOCC(C)OCF 34a_100000718985_100015361967 [0,2,0,0,0,0|1,0,1]=4 2978 B8R0.1 CCOCC(C)OCF 7a_100000718985_100015361967 [0,2,0,0,0,0|1,0,1]=4 2979 B8R0.1 CN(CC=O)CCC#N 2230a_100000184479_200015260668 [0,2,0,0,0,0|1,0,1]=4 2980 B8R0.1 CN(CC=O)CCCO 2230a_100000213112_200015260668 [0,2,0,0,0,0|1,0,0]=3 2981 B8R0.1 CN(CC=O)CCCO 269982a_100000213112_200015260668 [0,2,0,0,0,0|1,0,0]=3 2982 B8R0.1 CNC[C@H](C)CCCO 2230a_100160569302_200000210301 [0,2,0,0,0,0|1,0,1]=4 2983 B8R0.1 CNC[C@H](C)CCCO 34a_100160569302_200000210301 [0,2,0,0,0,0|1,0,1]=4 2984 B8R0.1 COCC(C)SCC=O 62a_100000765312_200015260668 [0,2,0,0,0,0|1,0,0]=3 2985 B8R0.1 COCC(C)SCC=O 62a_200015260668_100000765312 [0,2,0,0,0,0|1,0,0]=3 2986 B8R0.1 COCCN(C)CC=O 2230a_100000743101_200015260668 [0,2,0,0,0,0|1,0,0]=3 2987 B8R0.1 COCCN(C)CC=O 269982a_100000743101_200015260668 [0,2,0,0,0,0|1,0,0]=3 2988 B8R0.1 COC[C@@H](C)NCC=O 2230a_100000764878_200015260668 [0,2,0,0,0,0|1,0,0]=3 2989 B8R0.1 COC[C@@H](C)OCC=O 34a_100011934205_200009817547 [0,2,0,0,0,0|1,0,0]=3 2990 B8R0.1 CSCCN(C)CC=O 2230a_100000686725_200015260668 [0,2,0,0,0,0|1,0,0]=3 2991 B8R0.1 CSCCN(C)CC=O 269982a_100000686725_200015260668 [0,2,0,0,0,0|1,0,0]=3 2992 B8R0.1 C[C@@H](CC#N)NCC=O 2230a_100016994482_200015260668 [0,2,0,0,0,0|1,0,1]=4 2993 B8R0.1 C[C@H](CCCO)CN[13CH3] 2230a_100160569302_200025704644 [0,2,0,0,0,0|1,0,1]=4 2994 B8R0.1 C[C@H](CCCO)CN[13CH3] 34a_100160569302_200025704644 [0,2,0,0,0,0|1,0,1]=4 2995 B8R0.1 C[C@H](CCO)NCC=O 2230a_100000706166_200015260668 [0,2,0,0,0,0|1,0,0]=3 2996 B8R0.1 C[C@H](CCO)NCC=O 34a_100000706166_200009817547 [0,2,0,0,0,0|1,0,0]=3 2997 B8R0.3 C#CC(=O)C(C)CC#N 1458a_100000211873_100009813641 [0,2,0,0,0,0|1,0,1]=4 2998 B8R0.3 C#CC(=O)C(C)CCC 1458a_100000211873_100000766640 [0,2,0,0,0,0|0,0,0]=2 2999 B8R0.3 C#CC(=O)C(C)CCO 1458a_100000211873_100009893172 [0,2,0,0,0,0|1,0,0]=3 3000 B8R0.3 C#CC(=O)C(C)COC 1458a_100000211873_100000765312 [0,2,0,0,0,0|1,0,0]=3 3001 B8R0.3 C#CC(C)C(=O)CCC 1458a_100000211992_200000035995 [0,2,0,0,0,0|1,0,1]=4 3002 B8R0.3 C/C=C(\C)/C(=O)CCC 1458a_100020587367_100000210303 [0,2,0,0,0,0|1,0,1]=4 3003 B8R0.3 C/C=C(\C)/C(C)NCC 269862a_100015525214_100020675665 [0,2,0,0,0,0|1,0,1]=4 3004 B8R0.3 C=CC(=O)C(C)CC#N 1458a_100000185746_100009813641 [0,2,0,0,0,0|1,0,1]=4 3005 B8R0.3 C=CC(=O)C(C)CCC 1458a_100000185746_100000766640 [0,2,0,0,0,0|0,0,0]=2 3006 B8R0.3 C=CC(=O)C(C)CCO 1458a_100000185746_100009893172 [0,2,0,0,0,0|1,0,0]=3 3007 B8R0.3 C=CC(=O)C(C)COC 1458a_100000185746_100000765312 [0,2,0,0,0,0|1,0,0]=3 3008 B8R0.3 C=CC(=O)N(C)CCC 1626a_100000747261_100000185746 [0,2,0,0,0,0|1,0,0]=3 3009 B8R0.3 C=CC(=O)N(C)CCC 240690a_100000747261_200121576911 [0,2,0,0,0,0|1,0,0]=3 3010 B8R0.3 C=CC(=O)N(C)CCO 240690a_100000210263_200121576911 [0,2,0,0,0,0|2,0,0]=4 3011 B8R0.3 C=CC(C)C(=O)CCC 1458a_100011216780_100000210303 [0,2,0,0,0,0|1,0,0]=3 3012 B8R0.3 C=CC(C)C(=O)CCF 1458a_100011216780_100011217306 [0,2,0,0,0,0|1,0,1]=4 3013 B8R0.3 C=CC(C)C(=O)CCO 1458a_100011216780_100000211926 [0,2,0,0,0,0|1,0,1]=4 3014 B8R0.3 C=CC(C)C(=O)NCC 11a_100015525214_100011216780 [0,2,0,0,0,0|1,0,1]=4 3015 B8R0.3 C=CC(C)C(=O)NCC 240690a_100015525214_100011216780 [0,2,0,0,0,0|1,0,1]=4 3016 B8R0.3 C=CC(C)C(=O)NCC 527a_100015525214_100011216780 [0,2,0,0,0,0|1,0,1]=4 3017 B8R0.3 C=CC(C)N(C)CCC 269982a_100000747261_100011215867 [0,2,0,0,0,0|1,0,0]=3 3018 B8R0.3 C=CC(C)N(C)CCO 269982a_100000210263_100011215867 [0,2,0,0,0,0|2,0,0]=4 3019 B8R0.3 C=CCC(C)C(=O)CC 1458a_100011216819_100000210202 [0,2,0,0,0,0|0,0,2]=4 3020 B8R0.3 C=CCC(C)C(=O)CF 1458a_100011216819_100015361967 [0,2,0,0,0,0|0,0,2]=4 3021 B8R0.3 C=CCC(C)C(=O)NC 11a_106832991635_100011216819 [0,2,0,0,0,0|0,0,2]=4 3022 B8R0.3 C=CCC(C)C(=O)NC 1626a_100102657272_100011216819 [0,2,0,0,0,0|0,0,2]=4 3023 B8R0.3 C=CCC(C)C(=O)NC 240690a_100102657272_100011216819 [0,2,0,0,0,0|0,0,2]=4 3024 B8R0.3 C=CCC(C)C(=O)NC 527a_100102657272_100011216819 [0,2,0,0,0,0|0,0,2]=4 3025 B8R0.3 C=CCN(C)C(C)CC 2230a_100000225617_100000758301 [0,2,0,0,0,0|2,0,0]=4 3026 B8R0.3 C=CCN(C)C(C)CC 2230a_100000741768_100000210623 [0,2,0,0,0,0|2,0,0]=4 3027 B8R0.3 C=CCN(C)C(C)CC 269982a_100000225617_100000758301 [0,2,0,0,0,0|2,0,0]=4 3028 B8R0.3 C=CCN(C)C(C)CC 269982a_100000741768_100000210623 [0,2,0,0,0,0|2,0,0]=4 3029 B8R0.3 C=C[C@@H](C)[C@@H](C)OCC 34a_100015455354_100000210202 [0,2,0,0,0,0|1,0,0]=3 3030 B8R0.3 C=C[C@@H](C)[C@@H](C)OCC 7a_100015455354_100000210202 [0,2,0,0,0,0|1,0,0]=3 3031 B8R0.3 C=C[C@@H](C)[C@@H](C)OCF 34a_100015455354_100015361967 [0,2,0,0,0,0|2,0,0]=4 3032 B8R0.3 C=C[C@@H](C)[C@@H](C)OCF 7a_100015455354_100015361967 [0,2,0,0,0,0|2,0,0]=4 3033 B8R0.3 CC(CC#N)C(=O)CO 1458a_100000210174_100009813641 [0,2,0,0,0,0|1,0,1]=4 3034 B8R0.3 CC(CCO)C(=O)CO 1458a_100000210174_100009893172 [0,2,0,0,0,0|1,0,0]=3 3035 B8R0.3 CC(CO)N(C)CC=O 2230a_100000693034_200015260668 [0,2,0,0,0,0|2,0,0]=4 3036 B8R0.3 CC(CO)N(C)CC=O 269982a_100000693034_200015260668 [0,2,0,0,0,0|2,0,0]=4 3037 B8R0.3 CC(OCF)C(=O)NN 34a_100000725659_100015361967 [0,2,0,0,0,0|2,0,0]=4 3038 B8R0.3 CC/C=C(\C)/C(=O)CC 1458a_100016988807_100000210202 [0,2,0,0,0,0|0,0,2]=4 3039 B8R0.3 CC/C=C(\C)/C(=O)CF 1458a_100016988807_100015361967 [0,2,0,0,0,0|0,0,2]=4 3040 B8R0.3 CC/C=C(\C)/C(=O)NC 11a_106832991635_100016988807 [0,2,0,0,0,0|0,0,2]=4 3041 B8R0.3 CC/C=C(\C)/C(=O)NC 1626a_100102657272_100016988807 [0,2,0,0,0,0|0,0,2]=4 3042 B8R0.3 CC/C=C(\C)/C(=O)NC 240690a_100102657272_100016988807 [0,2,0,0,0,0|0,0,2]=4 3043 B8R0.3 CC/C=C(\C)/C(=O)NC 527a_100102657272_100016988807 [0,2,0,0,0,0|0,0,2]=4 3044 B8R0.3 CCC(=O)C(C)CC#N 1458a_100000210414_100009813641 [0,2,0,0,0,0|1,0,1]=4 3045 B8R0.3 CCC(=O)C(C)CCO 1458a_100000210414_100009893172 [0,2,0,0,0,0|1,0,0]=3 3046 B8R0.3 CCC(=O)C(C)COC 1458a_100000210414_100000765312 [0,2,0,0,0,0|1,0,0]=3 3047 B8R0.3 CCC(=O)C(C)COC 1458a_100000751857_100000210202 [0,2,0,0,0,0|1,0,0]=3 3048 B8R0.3 CCC(=O)C(C)CSC 1458a_100000753918_100000210202 [0,2,0,0,0,0|1,0,0]=3 3049 B8R0.3 CCC(=O)C(C)SCF 62a_100000742827_100015361967 [0,2,0,0,0,0|2,0,0]=4 3050 B8R0.3 CCC(=O)C(C)SCF 62a_100015361967_100000742827 [0,2,0,0,0,0|2,0,0]=4 3051 B8R0.3 CCC(=O)N(C)CCO 240690a_100000210263_100000210414 [0,2,0,0,0,0|2,0,0]=4 3052 B8R0.3 CCC(=O)N(C)CCO 527a_100000210263_100000210414 [0,2,0,0,0,0|2,0,0]=4 3053 B8R0.3 CCC(C)C(C)OCF 7a_100011215189_100015361967 [0,2,0,0,0,0|1,0,1]=4 3054 B8R0.3 CCC(C)N(C)CC=O 2230a_100000741768_200015260668 [0,2,0,0,0,0|1,0,0]=3 3055 B8R0.3 CCC(C)N(C)CC=O 269982a_100000741768_200015260668 [0,2,0,0,0,0|1,0,0]=3 3056 B8R0.3 CCCC(=O)C(=O)NC 1458a_100011218921_100000210303 [0,2,0,0,0,0|1,0,1]=4 3057 B8R0.3 CCCC(=O)C(C)C#N 1458a_100000211992_100000703298 [0,2,0,0,0,0|1,0,1]=4 3058 B8R0.3 CCCC(=O)C(C)C#N 1458a_100000753662_100000210303 [0,2,0,0,0,0|1,0,1]=4 3059 B8R0.3 CCCC(=O)C(C)CC 1458a_100000211992_100000758301 [0,2,0,0,0,0|1,0,1]=4 3060 B8R0.3 CCCC(=O)C(C)CC 1458a_100011192722_100000210303 [0,2,0,0,0,0|1,0,1]=4 3061 B8R0.3 CCCC(=O)C(C)OC 1458a_100000743197_100000210303 [0,2,0,0,0,0|2,0,0]=4 3062 B8R0.3 CCCC(=O)C(C)SC 1458a_100000149566_100000210303 [0,2,0,0,0,0|2,0,0]=4 3063 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210414_100000766640 [0,2,0,0,0,0|0,0,0]=2 3064 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210906_100000210202 [0,2,0,0,0,0|0,0,0]=2 3065 B8R0.3 CCCC(C)C(=O)CF 1458a_100000210906_100015361967 [0,2,0,0,0,0|0,0,0]=2 3066 B8R0.3 CCCC(C)C(=O)CO 1458a_100000210174_100000766640 [0,2,0,0,0,0|0,0,0]=2 3067 B8R0.3 CCCC(C)C(=O)NC 11a_106832991635_100000210906 [0,2,0,0,0,0|0,0,0]=2 3068 B8R0.3 CCCC(C)C(=O)NC 1626a_100102657272_100000210906 [0,2,0,0,0,0|0,0,0]=2 3069 B8R0.3 CCCC(C)C(=O)NC 240690a_100102657272_100000210906 [0,2,0,0,0,0|0,0,0]=2 3070 B8R0.3 CCCC(C)C(=O)NC 527a_100102657272_100000210906 [0,2,0,0,0,0|0,0,0]=2 3071 B8R0.3 CCCC(C)C(C)NC 270004a_106832991635_100011216282 [0,2,0,0,0,0|1,0,1]=4 3072 B8R0.3 CCCC(C)C(C)OC 34a_100000708338_200000210301 [0,2,0,0,0,0|0,0,2]=4 3073 B8R0.3 CCCC(C)C(C)OC 7a_100000708338_200000210301 [0,2,0,0,0,0|0,0,2]=4 3074 B8R0.3 CCCC(C)C(C)O[13CH3] 34a_100000708338_200025704644 [0,2,0,0,0,0|0,0,2]=4 3075 B8R0.3 CCCC(C)C(C)O[13CH3] 7a_100000708338_200025704644 [0,2,0,0,0,0|0,0,2]=4 3076 B8R0.3 CCCC(C)N(C)CC 2230a_100000225621_100000766640 [0,2,0,0,0,0|1,0,1]=4 3077 B8R0.3 CCCC(C)N(C)CC 269982a_100000225621_100000766640 [0,2,0,0,0,0|1,0,1]=4 3078 B8R0.3 CCCN(C)C(=O)CC 11a_100000747261_100000210414 [0,2,0,0,0,0|1,0,0]=3 3079 B8R0.3 CCCN(C)C(=O)CC 1626a_100000747261_100000210414 [0,2,0,0,0,0|1,0,0]=3 3080 B8R0.3 CCCN(C)C(=O)CC 240690a_100000747261_100000210414 [0,2,0,0,0,0|1,0,0]=3 3081 B8R0.3 CCCN(C)C(=O)CC 527a_100000747261_100000210414 [0,2,0,0,0,0|1,0,0]=3 3082 B8R0.3 CCCN(C)C(=O)CO 240690a_100000747261_100000210174 [0,2,0,0,0,0|1,0,0]=3 3083 B8R0.3 CCCN(C)C(=O)CO 527a_100000747261_100000210174 [0,2,0,0,0,0|1,0,0]=3 3084 B8R0.3 CCCN(C)C(=O)NC 2708a_100102657272_100000747261 [0,2,0,0,0,0|1,0,0]=3 3085 B8R0.3 CCCN(C)C(=O)NC 273464a_100102657272_100000747261 [0,2,0,0,0,0|1,0,0]=3 3086 B8R0.3 CCCN(C)C(C)C#N 2230a_100000747261_100000184139 [0,2,0,0,0,0|1,0,1]=4 3087 B8R0.3 CCCN(C)C(C)C#N 269982a_100000747261_100000703298 [0,2,0,0,0,0|1,0,1]=4 3088 B8R0.3 CCCN(C)C(C)CC 2230a_100000741768_100000210303 [0,2,0,0,0,0|1,0,1]=4 3089 B8R0.3 CCCN(C)C(C)CC 2230a_100000747261_100000758301 [0,2,0,0,0,0|1,0,1]=4 3090 B8R0.3 CCCN(C)C(C)CC 2230a_200011216551_200000210301 [0,2,0,0,0,0|1,0,1]=4 3091 B8R0.3 CCCN(C)C(C)CC 269982a_100000741768_100000210303 [0,2,0,0,0,0|1,0,1]=4 3092 B8R0.3 CCCN(C)C(C)CC 269982a_100000747261_100000758301 [0,2,0,0,0,0|1,0,1]=4 3093 B8R0.3 CCCN(C)C(C)CC 269982a_200011216551_200000210301 [0,2,0,0,0,0|1,0,1]=4 3094 B8R0.3 CCCN(C)C(C)CO 2230a_100000693034_100000210303 [0,2,0,0,0,0|0,0,2]=4 3095 B8R0.3 CCCN(C)C(C)CO 2230a_100000747261_100012180447 [0,2,0,0,0,0|0,0,2]=4 3096 B8R0.3 CCCN(C)C(C)CO 2230a_100011303929_200000210301 [0,2,0,0,0,0|0,0,2]=4 3097 B8R0.3 CCCN(C)C(C)CO 269982a_100000693034_100000210303 [0,2,0,0,0,0|0,0,2]=4 3098 B8R0.3 CCCN(C)C(C)CO 269982a_100011303929_200000210301 [0,2,0,0,0,0|0,0,2]=4 3099 B8R0.3 CCCN(C)C(C)OC 269982a_100000747261_100009879195 [0,2,0,0,0,0|2,0,0]=4 3100 B8R0.3 CCCN(C)[C@H](C)CO 269982a_100000747261_100016084084 [0,2,0,0,0,0|0,0,2]=4 3101 B8R0.3 CCCN([13CH3])C(C)CC 2230a_200011216551_200025704644 [0,2,0,0,0,0|1,0,1]=4 3102 B8R0.3 CCCN([13CH3])C(C)CC 269982a_200011216551_200025704644 [0,2,0,0,0,0|1,0,1]=4 3103 B8R0.3 CCCN([13CH3])C(C)CO 2230a_100011303929_200025704644 [0,2,0,0,0,0|0,0,2]=4 3104 B8R0.3 CCCN([13CH3])C(C)CO 269982a_100011303929_200025704644 [0,2,0,0,0,0|0,0,2]=4 3105 B8R0.3 CCC[C@H](O)C(=O)CC 1458a_100009822183_100000210202 [0,2,0,0,0,0|1,0,0]=3 3106 B8R0.3 CCC[C@H](O)C(=O)CF 1458a_100009822183_100015361967 [0,2,0,0,0,0|1,0,0]=3 3107 B8R0.3 CCC[C@H](O)C(=O)NC 240690a_100102657272_100009822183 [0,2,0,0,0,0|1,0,0]=3 3108 B8R0.3 CCNC(C)C(=O)CC 2230a_100015525214_100000742827 [0,2,0,0,0,0|1,0,0]=3 3109 B8R0.3 CCNC(C)C(=O)NC 2230a_100015525214_100000731044 [0,2,0,0,0,0|1,0,0]=3 3110 B8R0.3 CCNC(C)C(=O)OC 2230a_100015525214_100000211248 [0,2,0,0,0,0|1,0,0]=3 3111 B8R0.3 CCNC(C)C(C)CC 269862a_100015525214_100000210599 [0,2,0,0,0,0|1,0,1]=4 3112 B8R0.3 CCNC(C)C(C)CC 270004a_100015525214_100000210599 [0,2,0,0,0,0|1,0,1]=4 3113 B8R0.3 CCNC(F)C(=O)NC 2230a_100015525214_100009813575 [0,2,0,0,0,0|2,0,0]=4 3114 B8R0.3 CCN[C@H](C)C(=O)NC 2230a_100000684985_100000210202 [0,2,0,0,0,0|1,0,0]=3 3115 B8R0.3 CCN[C@H](C)C(=O)NC 34a_100000684985_100000210202 [0,2,0,0,0,0|1,0,0]=3 3116 B8R0.3 CCOC(C)C(=O)CC 1458a_100000739345_100000210202 [0,2,0,0,0,0|1,0,0]=3 3117 B8R0.3 CCOC(C)C(=O)CF 1458a_100000739345_100015361967 [0,2,0,0,0,0|1,0,0]=3 3118 B8R0.3 CCOC(C)C(=O)NC 11a_106832991635_100000739345 [0,2,0,0,0,0|1,0,0]=3 3119 B8R0.3 CCOC(C)C(=O)NC 1626a_100102657272_100000739345 [0,2,0,0,0,0|1,0,0]=3 3120 B8R0.3 CCOC(C)C(=O)NC 240690a_100102657272_100000739345 [0,2,0,0,0,0|1,0,0]=3 3121 B8R0.3 CCOC(C)C(=O)NC 34a_100121572206_100000731044 [0,2,0,0,0,0|1,0,0]=3 3122 B8R0.3 CCOC(C)C(=O)NC 527a_100102657272_100000739345 [0,2,0,0,0,0|1,0,0]=3 3123 B8R0.3 CCOC(C)C(=O)NN 34a_100000725659_100000210202 [0,2,0,0,0,0|1,0,0]=3 3124 B8R0.3 CCOC(C)C(=O)OC 34a_100011215400_100000210202 [0,2,0,0,0,0|1,0,0]=3 3125 B8R0.3 CCOC(C)C(=O)OC 34a_100121572206_100000211248 [0,2,0,0,0,0|1,0,0]=3 3126 B8R0.3 CCOC(C)C(C)CC 7a_100011215189_100000210202 [0,2,0,0,0,0|1,0,1]=4 3127 B8R0.3 CCOC(F)C(=O)NC 34a_100121572206_100009813575 [0,2,0,0,0,0|2,0,0]=4 3128 B8R0.3 CCSC(C)C(=O)CC 1458a_100000230601_100000210202 [0,2,0,0,0,0|1,0,0]=3 3129 B8R0.3 CCSC(C)C(=O)CC 62a_100000210202_100000742827 [0,2,0,0,0,0|1,0,0]=3 3130 B8R0.3 CCSC(C)C(=O)CC 62a_100000742827_100000210202 [0,2,0,0,0,0|1,0,0]=3 3131 B8R0.3 CCSC(C)C(=O)CF 1458a_100000230601_100015361967 [0,2,0,0,0,0|1,0,0]=3 3132 B8R0.3 CCSC(C)C(=O)NC 11a_106832991635_100000230601 [0,2,0,0,0,0|1,0,0]=3 3133 B8R0.3 CCSC(C)C(=O)NC 1626a_100102657272_100000230601 [0,2,0,0,0,0|1,0,0]=3 3134 B8R0.3 CCSC(C)C(=O)NC 240690a_100102657272_100000230601 [0,2,0,0,0,0|1,0,0]=3 3135 B8R0.3 CCSC(C)C(=O)NC 527a_100102657272_100000230601 [0,2,0,0,0,0|1,0,0]=3 3136 B8R0.3 CCSC(C)C(=O)NC 62a_100000209862_100000210202 [0,2,0,0,0,0|1,0,0]=3 3137 B8R0.3 CCSC(C)C(=O)NC 62a_100000210202_100000731044 [0,2,0,0,0,0|1,0,0]=3 3138 B8R0.3 CCSC(C)C(=O)OC 62a_100000210202_100000211248 [0,2,0,0,0,0|1,0,0]=3 3139 B8R0.3 CCSC(C)C(=O)OC 62a_100000211248_100000210202 [0,2,0,0,0,0|1,0,0]=3 3140 B8R0.3 CCSC(F)C(=O)NC 62a_100000210202_100009813575 [0,2,0,0,0,0|2,0,0]=4 3141 B8R0.3 CCSC(F)C(=O)NC 62a_100009813575_100000210202 [0,2,0,0,0,0|2,0,0]=4 3142 B8R0.3 CN(CCO)C(=O)CO 240690a_100000210263_100000210174 [0,2,0,0,0,0|2,0,0]=4 3143 B8R0.3 CN(CCO)C(=O)CO 527a_100000210263_100000210174 [0,2,0,0,0,0|2,0,0]=4 3144 B8R0.3 CNC(=O)C(C)CN[13CH3] 2230a_100015187722_200025704644 [0,2,0,0,0,0|1,0,0]=3 3145 B8R0.3 CNC(=O)C(C)CN[13CH3] 34a_100015187722_200025704644 [0,2,0,0,0,0|1,0,0]=3 3146 B8R0.3 CNC(=O)C(C)COC 11a_106832991635_100000751857 [0,2,0,0,0,0|1,0,0]=3 3147 B8R0.3 CNC(=O)C(C)COC 1626a_100102657272_100000751857 [0,2,0,0,0,0|1,0,0]=3 3148 B8R0.3 CNC(=O)C(C)COC 240690a_100102657272_100000751857 [0,2,0,0,0,0|1,0,0]=3 3149 B8R0.3 CNC(=O)C(C)COC 527a_100102657272_100000751857 [0,2,0,0,0,0|1,0,0]=3 3150 B8R0.3 CNC(=O)C(C)CSC 11a_106832991635_100000753918 [0,2,0,0,0,0|1,0,0]=3 3151 B8R0.3 CNC(=O)C(C)CSC 1626a_100102657272_100000753918 [0,2,0,0,0,0|1,0,0]=3 3152 B8R0.3 CNC(=O)C(C)CSC 240690a_100102657272_100000753918 [0,2,0,0,0,0|1,0,0]=3 3153 B8R0.3 CNC(=O)C(C)CSC 527a_100102657272_100000753918 [0,2,0,0,0,0|1,0,0]=3 3154 B8R0.3 CNC(=O)C(C)SCF 62a_100000209862_100015361967 [0,2,0,0,0,0|2,0,0]=4 3155 B8R0.3 CNC(=O)C(C)SCF 62a_100015361967_100000731044 [0,2,0,0,0,0|2,0,0]=4 3156 B8R0.3 CNC(=O)N(C)CCO 2708a_100102657272_100000210263 [0,2,0,0,0,0|2,0,0]=4 3157 B8R0.3 CNC(=O)N(C)CCO 273464a_100102657272_100000210263 [0,2,0,0,0,0|2,0,0]=4 3158 B8R0.3 CNC(=O)[C@@H](C)NCF 34a_100000684985_100015361967 [0,2,0,0,0,0|2,0,0]=4 3159 B8R0.3 CNCC(C)C(=O)NC 2230a_100015187722_200000210301 [0,2,0,0,0,0|1,0,0]=3 3160 B8R0.3 CNCC(C)C(=O)NC 34a_100015187722_200000210301 [0,2,0,0,0,0|1,0,0]=3 3161 B8R0.3 CNCC(C)C(=O)OC 34a_100102657272_100000698445 [0,2,0,0,0,0|1,0,0]=3 3162 B8R0.3 COC(=O)C(C)CO[13CH3] 34a_100000749362_200025704644 [0,2,0,0,0,0|1,0,0]=3 3163 B8R0.3 COC(=O)C(C)CO[13CH3] 7a_100000749362_200025704644 [0,2,0,0,0,0|1,0,0]=3 3164 B8R0.3 COC(=O)C(C)CSC 62a_100000698445_200000210301 [0,2,0,0,0,0|1,0,0]=3 3165 B8R0.3 COC(=O)C(C)CSC 62a_200000210301_100000698445 [0,2,0,0,0,0|1,0,0]=3 3166 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_100000698445_200025704644 [0,2,0,0,0,0|1,0,0]=3 3167 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_200025704644_100000698445 [0,2,0,0,0,0|1,0,0]=3 3168 B8R0.3 COC(=O)C(C)OCF 34a_100011215400_100015361967 [0,2,0,0,0,0|2,0,0]=4 3169 B8R0.3 COC(=O)C(C)SCF 62a_100000211248_100015361967 [0,2,0,0,0,0|2,0,0]=4 3170 B8R0.3 COC(=O)C(C)SCF 62a_100015361967_100000211248 [0,2,0,0,0,0|2,0,0]=4 3171 B8R0.3 COC(=O)C(F)CO[13CH3] 34a_200009849844_200025704644 [0,2,0,0,0,0|2,0,0]=4 3172 B8R0.3 COC(=O)[C@H](N)CO[13CH3] 34a_100000003586_200025704644 [0,2,0,0,0,0|2,0,0]=4 3173 B8R0.3 COCC(C)C(=O)CF 1458a_100000751857_100015361967 [0,2,0,0,0,0|1,0,0]=3 3174 B8R0.3 COCC(C)C(=O)CO 1458a_100000210174_100000765312 [0,2,0,0,0,0|1,0,0]=3 3175 B8R0.3 COCC(C)C(=O)OC 34a_100000749362_200000210301 [0,2,0,0,0,0|1,0,0]=3 3176 B8R0.3 COCC(C)C(=O)OC 34a_100138415774_100000698445 [0,2,0,0,0,0|1,0,0]=3 3177 B8R0.3 COCC(C)C(=O)OC 7a_100000749362_200000210301 [0,2,0,0,0,0|1,0,0]=3 3178 B8R0.3 COCC(F)C(=O)OC 34a_200009849844_200000210301 [0,2,0,0,0,0|2,0,0]=4 3179 B8R0.3 COCC(N)C(=O)NN 34a_100016989258_200000210301 [0,2,0,0,0,0|2,0,0]=4 3180 B8R0.3 COC[C@@H](N)C(=O)OC 34a_100000003586_200000210301 [0,2,0,0,0,0|2,0,0]=4 3181 B8R0.3 CSCC(C)C(=O)CF 1458a_100000753918_100015361967 [0,2,0,0,0,0|1,0,0]=3 3182 B8R0.3 [13CH3]OCC(N)C(=O)NN 34a_100016989258_200025704644 [0,2,0,0,0,0|2,0,0]=4 3183 B8R0.6 C#CC(C)NCCCC 2230a_100000707721_100000210211 [0,2,0,0,0,0|1,0,1]=4 3184 B8R0.6 C#CC(C)NCCCC 34a_100000707721_100000210210 [0,2,0,0,0,0|1,0,1]=4 3185 B8R0.6 C#CC(C)NCCCF 2230a_100000707721_100011934791 [0,2,0,0,0,0|1,0,1]=4 3186 B8R0.6 C#CC(C)NCCCF 34a_100000707721_100011934791 [0,2,0,0,0,0|1,0,1]=4 3187 B8R0.6 C#CC(C)NCCCF 34a_100015189416_200000035995 [0,2,0,0,0,0|1,0,1]=4 3188 B8R0.6 C#CC(C)NCCCO 2230a_100000707721_100000230001 [0,2,0,0,0,0|1,0,1]=4 3189 B8R0.6 C#CC(C)NCCCO 34a_100000707721_100000230001 [0,2,0,0,0,0|1,0,1]=4 3190 B8R0.6 C#CC(C)NCCOC 2230a_100000707721_100011201679 [0,2,0,0,0,0|1,0,1]=4 3191 B8R0.6 C#CC(C)NCCOC 34a_100000707721_100011201679 [0,2,0,0,0,0|1,0,1]=4 3192 B8R0.6 C#CC(C)NCCSC 2230a_100000707721_100000751147 [0,2,0,0,0,0|1,0,1]=4 3193 B8R0.6 C#CC(C)NCCSC 34a_100000707721_100000212216 [0,2,0,0,0,0|1,0,1]=4 3194 B8R0.6 C#CC(C)OCCCBr 34a_100011217188_200000035995 [0,2,0,0,0,0|1,0,1]=4 3195 B8R0.6 C#CC(C)OCCCC 34a_100000210227_200000035995 [0,2,0,0,0,0|1,0,1]=4 3196 B8R0.6 C#CC(C)OCCCCl 34a_100000230001_200000035995 [0,2,0,0,0,0|1,0,1]=4 3197 B8R0.6 C#CC(C)OCCCF 34a_100000759539_200000035995 [0,2,0,0,0,0|1,0,1]=4 3198 B8R0.6 C#CC(C)OCCCN 34a_100000182051_200000035995 [0,2,0,0,0,0|1,0,1]=4 3199 B8R0.6 C#CC(C)OCCOC 34a_100000210237_200000035995 [0,2,0,0,0,0|1,0,1]=4 3200 B8R0.6 C#CC(C)OCCSC 34a_100000230434_200000035995 [0,2,0,0,0,0|1,0,1]=4 3201 B8R0.6 C#CC(C)SCCCC 62a_200000035995_100000210210 [0,2,0,0,0,0|1,0,1]=4 3202 B8R0.6 C#CC(C)SCCCF 62a_200000035995_100011934791 [0,2,0,0,0,0|1,0,1]=4 3203 B8R0.6 C#CC(C)SCCCO 62a_200000035995_100011215043 [0,2,0,0,0,0|1,0,1]=4 3204 B8R0.6 C#CC(C)SCCOC 62a_200000035995_100000233755 [0,2,0,0,0,0|1,0,1]=4 3205 B8R0.6 C#CC(C)SCCSC 62a_200000035995_100000751147 [0,2,0,0,0,0|1,0,1]=4 3206 B8R0.6 C#CC(C)SCOCC 62a_200000035995_100000739092 [0,2,0,0,0,0|1,0,1]=4 3207 B8R0.6 C#CCCOC(C)C=C 34a_100000695699_100000688953 [0,2,0,0,0,0|1,0,1]=4 3208 B8R0.6 C#CCCSC(C)C=C 62a_100011215867_100000688953 [0,2,0,0,0,0|1,0,1]=4 3209 B8R0.6 C#CCOCC(C)C=C 34a_100011215527_100000184674 [0,2,0,0,0,0|1,0,1]=4 3210 B8R0.6 C#CCOCC(C)C=C 7a_100011215527_100000038162 [0,2,0,0,0,0|1,0,1]=4 3211 B8R0.6 C#C[C@@H](C)OCCCC 34a_100009815206_100000210210 [0,2,0,0,0,0|1,0,1]=4 3212 B8R0.6 C#C[C@@H](C)OCCCC 7a_100009815206_100000210211 [0,2,0,0,0,0|1,0,1]=4 3213 B8R0.6 C#C[C@@H](C)OCCCF 34a_100009815206_100011934791 [0,2,0,0,0,0|1,0,1]=4 3214 B8R0.6 C#C[C@@H](C)OCCCF 7a_100009815206_100011934791 [0,2,0,0,0,0|1,0,1]=4 3215 B8R0.6 C#C[C@@H](C)OCCCO 34a_100009815206_100000230001 [0,2,0,0,0,0|1,0,1]=4 3216 B8R0.6 C#C[C@@H](C)OCCCO 7a_100009815206_100011215043 [0,2,0,0,0,0|1,0,1]=4 3217 B8R0.6 C#C[C@@H](C)OCCOC 34a_100009815206_100011201679 [0,2,0,0,0,0|1,0,1]=4 3218 B8R0.6 C#C[C@@H](C)OCCOC 7a_100009815206_100000233755 [0,2,0,0,0,0|1,0,1]=4 3219 B8R0.6 C#C[C@@H](C)OCCSC 34a_100009815206_100000212216 [0,2,0,0,0,0|1,0,1]=4 3220 B8R0.6 C#C[C@@H](C)OCCSC 7a_100009815206_100000212216 [0,2,0,0,0,0|1,0,1]=4 3221 B8R0.6 C=CC(=NNCCC)C 4a_100000740057_200015361842 [0,2,0,0,0,0|1,0,1]=4 3222 B8R0.6 C=CC(C)COCC#N 7a_100011215527_100011215382 [0,2,0,0,0,0|1,0,1]=4 3223 B8R0.6 C=CC(C)COCC=O 34a_100011215527_200009817547 [0,2,0,0,0,0|1,0,1]=4 3224 B8R0.6 C=CC(C)COCC=O 7a_100011215527_200015260668 [0,2,0,0,0,0|1,0,1]=4 3225 B8R0.6 C=CC(C)COCCC 34a_100011215527_100000210303 [0,2,0,0,0,0|1,0,0]=3 3226 B8R0.6 C=CC(C)COCCC 7a_100011215527_100000210303 [0,2,0,0,0,0|1,0,0]=3 3227 B8R0.6 C=CC(C)COCCF 34a_100011215527_100011217306 [0,2,0,0,0,0|1,0,0]=3 3228 B8R0.6 C=CC(C)COCCF 7a_100011215527_100011217306 [0,2,0,0,0,0|1,0,0]=3 3229 B8R0.6 C=CC(C)COCCO 34a_100011215527_100000211926 [0,2,0,0,0,0|1,0,0]=3 3230 B8R0.6 C=CC(C)COCCO 7a_100011215527_100000211926 [0,2,0,0,0,0|1,0,0]=3 3231 B8R0.6 C=CC(C)COCSC 34a_100011215527_100011218213 [0,2,0,0,0,0|1,0,0]=3 3232 B8R0.6 C=CC(C)OC/C=C/C 34a_100000695699_100102629194 [0,2,0,0,0,0|1,0,1]=4 3233 B8R0.6 C=CC(C)OCC#CC 34a_100000695699_100000748600 [0,2,0,0,0,0|1,0,1]=4 3234 B8R0.6 C=CC(C)OCC=CC 34a_100000695699_100000070051 [0,2,0,0,0,0|1,0,1]=4 3235 B8R0.6 C=CC(C)OCCCC 34a_100000695699_100000210210 [0,2,0,0,0,0|1,0,0]=3 3236 B8R0.6 C=CC(C)OCCCF 34a_100000695699_100011934791 [0,2,0,0,0,0|1,0,0]=3 3237 B8R0.6 C=CC(C)OCCCO 34a_100000695699_100000230001 [0,2,0,0,0,0|1,0,0]=3 3238 B8R0.6 C=CC(C)OCCOC 34a_100000695699_100011201679 [0,2,0,0,0,0|1,0,0]=3 3239 B8R0.6 C=CC(C)OCCSC 34a_100000695699_100000212216 [0,2,0,0,0,0|1,0,0]=3 3240 B8R0.6 C=CC(C)SC/C=C/C 62a_100011215867_100102629194 [0,2,0,0,0,0|1,0,1]=4 3241 B8R0.6 C=CC(C)SCC#CC 62a_100011215867_100000748600 [0,2,0,0,0,0|1,0,1]=4 3242 B8R0.6 C=CC(C)SCC=CC 62a_100011215867_100000070051 [0,2,0,0,0,0|1,0,1]=4 3243 B8R0.6 C=CC(C)SCCC#N 62a_100011215867_100011215226 [0,2,0,0,0,0|1,0,1]=4 3244 B8R0.6 C=CC(C)SCCCC 62a_100011215867_100000210210 [0,2,0,0,0,0|1,0,0]=3 3245 B8R0.6 C=CC(C)SCCCF 62a_100011215867_100011934791 [0,2,0,0,0,0|1,0,0]=3 3246 B8R0.6 C=CC(C)SCCCO 62a_100011215867_100011215043 [0,2,0,0,0,0|1,0,0]=3 3247 B8R0.6 C=CC(C)SCCOC 62a_100011215867_100000233755 [0,2,0,0,0,0|1,0,0]=3 3248 B8R0.6 C=CC(C)SCCSC 62a_100011215867_100000751147 [0,2,0,0,0,0|1,0,0]=3 3249 B8R0.6 C=CC(C)SCOCC 62a_100011215867_100000739092 [0,2,0,0,0,0|1,0,0]=3 3250 B8R0.6 C=CC(O)CNCCF 34a_100000724931_100000730141 [0,2,0,0,0,0|2,0,0]=4 3251 B8R0.6 C=CC(O)CNCCO 2230a_100016997473_100000730141 [0,2,0,0,0,0|2,0,0]=4 3252 B8R0.6 C=CC(O)CNCCO 34a_100016990907_100000730141 [0,2,0,0,0,0|2,0,0]=4 3253 B8R0.6 C=CC(O)COCCBr 34a_100000211926_100000730141 [0,2,0,0,0,0|2,0,0]=4 3254 B8R0.6 C=CC(O)COCCC 34a_100000210258_100000730141 [0,2,0,0,0,0|2,0,0]=4 3255 B8R0.6 C=CC(O)COCCN 34a_100000210304_100000730141 [0,2,0,0,0,0|2,0,0]=4 3256 B8R0.6 C=CC(O)CSCCC 62a_100000210303_100000730141 [0,2,0,0,0,0|2,0,0]=4 3257 B8R0.6 C=CC(O)CSCCC 62a_100000730141_100000210303 [0,2,0,0,0,0|2,0,0]=4 3258 B8R0.6 C=CC(O)CSCCF 62a_100000730141_100011217306 [0,2,0,0,0,0|2,0,0]=4 3259 B8R0.6 C=CC(O)CSCCF 62a_100011217306_100000730141 [0,2,0,0,0,0|2,0,0]=4 3260 B8R0.6 C=CC(O)CSCCO 62a_100000211926_100000730141 [0,2,0,0,0,0|2,0,0]=4 3261 B8R0.6 C=CC(O)CSCCO 62a_100000730141_100000211926 [0,2,0,0,0,0|2,0,0]=4 3262 B8R0.6 C=CC(O)CSCOC 62a_100000730141_100000766300 [0,2,0,0,0,0|2,0,0]=4 3263 B8R0.6 C=CC(O)CSCOC 62a_100000766300_100000730141 [0,2,0,0,0,0|2,0,0]=4 3264 B8R0.6 C=CC(O)CSCSC 62a_100000730141_100011218213 [0,2,0,0,0,0|2,0,0]=4 3265 B8R0.6 C=CC(O)CSCSC 62a_100011218213_100000730141 [0,2,0,0,0,0|2,0,0]=4 3266 B8R0.6 C=CCCOC(C)C=C 34a_100000695699_100000754431 [0,2,0,0,0,0|1,0,1]=4 3267 B8R0.6 C=CCCSC(C)C=C 62a_100011215867_100000754431 [0,2,0,0,0,0|1,0,1]=4 3268 B8R0.6 C=CCOCC(C)C=C 34a_100011215527_100015514636 [0,2,0,0,0,0|1,0,1]=4 3269 B8R0.6 C=CCOCC(C)C=C 7a_100011215527_100015514636 [0,2,0,0,0,0|1,0,1]=4 3270 B8R0.6 C=C[C@H](N)COCCC 34a_100016989147_100000210303 [0,2,0,0,0,0|2,0,0]=4 3271 B8R0.6 C=C[C@H](N)COCCF 34a_100016989147_100011217306 [0,2,0,0,0,0|2,0,0]=4 3272 B8R0.6 C=C[C@H](N)COCCO 34a_100016989147_100000211926 [0,2,0,0,0,0|2,0,0]=4 3273 B8R0.6 C=C[C@H](N)COCSC 34a_100016989147_100011218213 [0,2,0,0,0,0|2,0,0]=4 3274 B8R0.6 CC(C#N)NCCCF 2230a_100000737613_100011934791 [0,2,0,0,0,0|1,0,1]=4 3275 B8R0.6 CC(C#N)NCCCF 2230a_100015189416_100000184139 [0,2,0,0,0,0|1,0,1]=4 3276 B8R0.6 CC(C#N)NCCCO 2230a_100000737613_100000230001 [0,2,0,0,0,0|1,0,1]=4 3277 B8R0.6 CC(C#N)OCCCF 34a_100011218135_100011934791 [0,2,0,0,0,0|1,0,1]=4 3278 B8R0.6 CC(C#N)OCCCO 34a_100011218135_100000230001 [0,2,0,0,0,0|1,0,1]=4 3279 B8R0.6 CC(C#N)SCCCF 62a_100000703298_100011934791 [0,2,0,0,0,0|1,0,1]=4 3280 B8R0.6 CC(C#N)SCCCF 62a_100011934791_100000703298 [0,2,0,0,0,0|1,0,1]=4 3281 B8R0.6 CC(C#N)SCCCO 62a_100000703298_100011215043 [0,2,0,0,0,0|1,0,1]=4 3282 B8R0.6 CC(C#N)SCCCO 62a_100011215043_100000703298 [0,2,0,0,0,0|1,0,1]=4 3283 B8R0.6 CC(CF)OCCCF 34a_100016041109_100011934791 [0,2,0,0,0,0|1,0,1]=4 3284 B8R0.6 CC(CF)OCCCF 7a_100016041109_100011934791 [0,2,0,0,0,0|1,0,1]=4 3285 B8R0.6 CC(CF)OCCCO 34a_100016041109_100000230001 [0,2,0,0,0,0|1,0,1]=4 3286 B8R0.6 CC(CF)OCCCO 7a_100016041109_100011215043 [0,2,0,0,0,0|1,0,1]=4 3287 B8R0.6 CC(CN)COCCF 34a_100000744482_100011217306 [0,2,0,0,0,0|1,0,1]=4 3288 B8R0.6 CC(CN)COCCO 34a_100000744482_100000211926 [0,2,0,0,0,0|1,0,1]=4 3289 B8R0.6 CC(CN)OCCCF 34a_100000210904_100011934791 [0,2,0,0,0,0|1,0,1]=4 3290 B8R0.6 CC(CN)OCCCO 34a_100000210904_100000230001 [0,2,0,0,0,0|1,0,1]=4 3291 B8R0.6 CC(CO)CCNCF 34a_106354213184_100015361967 [0,2,0,0,0,0|0,0,2]=4 3292 B8R0.6 CC(CO)CNCCF 34a_100000744482_100011217306 [0,2,0,0,0,0|0,0,2]=4 3293 B8R0.6 CC(CO)CNCCO 34a_100000744482_100000211926 [0,2,0,0,0,0|0,0,2]=4 3294 B8R0.6 CC(CO)NCCCF 2230a_100015189416_100012180447 [0,2,0,0,0,0|0,0,2]=4 3295 B8R0.6 CC(CO)NCCCF 34a_100015189416_100012180447 [0,2,0,0,0,0|0,0,2]=4 3296 B8R0.6 CC(CO)OCCCBr 34a_100011217188_100012180447 [0,2,0,0,0,0|0,0,2]=4 3297 B8R0.6 CC(CO)OCCCCl 34a_100000230001_100012180447 [0,2,0,0,0,0|0,0,2]=4 3298 B8R0.6 CC(CO)OCCCF 34a_100000759539_100012180447 [0,2,0,0,0,0|0,0,2]=4 3299 B8R0.6 CC(CO)OCCCN 34a_100000182051_100012180447 [0,2,0,0,0,0|0,0,2]=4 3300 B8R0.6 CC(CO)SCCCF 62a_100012180447_100011934791 [0,2,0,0,0,0|0,0,2]=4 3301 B8R0.6 CC(CO)SCCCO 62a_100012180447_100011215043 [0,2,0,0,0,0|0,0,2]=4 3302 B8R0.6 CCC#CCC(C)OC 34a_200000035118_200000210301 [0,2,0,0,0,0|2,0,0]=4 3303 B8R0.6 CCC#CCC(C)OC 7a_200000035118_200000210301 [0,2,0,0,0,0|2,0,0]=4 3304 B8R0.6 CCC#CCC(C)O[13CH3] 34a_200000035118_200025704644 [0,2,0,0,0,0|2,0,0]=4 3305 B8R0.6 CCC#CCC(C)O[13CH3] 7a_200000035118_200025704644 [0,2,0,0,0,0|2,0,0]=4 3306 B8R0.6 CCC(C)CCCOC 7a_100011216074_200000210301 [0,2,0,0,0,0|1,0,1]=4 3307 B8R0.6 CCC(C)CCCO[13CH3] 7a_100011216074_200025704644 [0,2,0,0,0,0|1,0,1]=4 3308 B8R0.6 CCC(C)CCOCF 7a_100011215188_100015361967 [0,2,0,0,0,0|1,0,1]=4 3309 B8R0.6 CCC(C)CNCCF 2230a_100020588543_100011217306 [0,2,0,0,0,0|1,0,1]=4 3310 B8R0.6 CCC(C)CNCCF 34a_100000724931_100000748023 [0,2,0,0,0,0|1,0,1]=4 3311 B8R0.6 CCC(C)CNCCO 2230a_100016997473_100000748023 [0,2,0,0,0,0|1,0,1]=4 3312 B8R0.6 CCC(C)CNCCO 2230a_100020588543_100000211926 [0,2,0,0,0,0|1,0,1]=4 3313 B8R0.6 CCC(C)CNCCO 270004a_100000210304_100000243153 [0,2,0,0,0,0|1,0,1]=4 3314 B8R0.6 CCC(C)CNCCO 34a_100016990907_100000748023 [0,2,0,0,0,0|1,0,1]=4 3315 B8R0.6 CCC(C)CNCOC 2230a_100020588543_100000766300 [0,2,0,0,0,0|1,0,1]=4 3316 B8R0.6 CCC(C)CNCSC 2230a_100020588543_100011218213 [0,2,0,0,0,0|1,0,1]=4 3317 B8R0.6 CCC(C)COCCBr 34a_100000211926_100000748023 [0,2,0,0,0,0|1,0,1]=4 3318 B8R0.6 CCC(C)COCCN 34a_100000210304_100000748023 [0,2,0,0,0,0|1,0,1]=4 3319 B8R0.6 CCC(C)CSCCF 62a_100000748023_100011217306 [0,2,0,0,0,0|1,0,1]=4 3320 B8R0.6 CCC(C)CSCCF 62a_100011217306_100000748023 [0,2,0,0,0,0|1,0,1]=4 3321 B8R0.6 CCC(C)CSCCO 62a_100000211926_100000748023 [0,2,0,0,0,0|1,0,1]=4 3322 B8R0.6 CCC(C)CSCCO 62a_100000748023_100000211926 [0,2,0,0,0,0|1,0,1]=4 3323 B8R0.6 CCC(C)CSCOC 62a_100000748023_100000766300 [0,2,0,0,0,0|1,0,1]=4 3324 B8R0.6 CCC(C)CSCOC 62a_100000766300_100000748023 [0,2,0,0,0,0|1,0,1]=4 3325 B8R0.6 CCC(C)CSCSC 62a_100000748023_100011218213 [0,2,0,0,0,0|1,0,1]=4 3326 B8R0.6 CCC(C)CSCSC 62a_100011218213_100000748023 [0,2,0,0,0,0|1,0,1]=4 3327 B8R0.6 CCC(C)NCCCF 2230a_100000209981_100011934791 [0,2,0,0,0,0|1,0,1]=4 3328 B8R0.6 CCC(C)NCCCF 2230a_100015189416_100000758301 [0,2,0,0,0,0|1,0,1]=4 3329 B8R0.6 CCC(C)NCCCF 34a_100015189416_100011215416 [0,2,0,0,0,0|1,0,1]=4 3330 B8R0.6 CCC(C)NCCCO 2230a_100000209981_100000230001 [0,2,0,0,0,0|1,0,1]=4 3331 B8R0.6 CCC(C)NCCOC 2230a_100000209980_100000758301 [0,2,0,0,0,0|1,0,1]=4 3332 B8R0.6 CCC(C)NCCOC 2230a_100000209981_100011201679 [0,2,0,0,0,0|1,0,1]=4 3333 B8R0.6 CCC(C)NCCSC 2230a_100000209981_100000751147 [0,2,0,0,0,0|1,0,1]=4 3334 B8R0.6 CCC(C)NCCSC 2230a_100020590264_100000758301 [0,2,0,0,0,0|1,0,1]=4 3335 B8R0.6 CCC(C)OCCCBr 34a_100011217188_100011215416 [0,2,0,0,0,0|1,0,1]=4 3336 B8R0.6 CCC(C)OCCCCl 34a_100000230001_100011215416 [0,2,0,0,0,0|1,0,1]=4 3337 B8R0.6 CCC(C)OCCCF 34a_100000759539_100011215416 [0,2,0,0,0,0|1,0,1]=4 3338 B8R0.6 CCC(C)OCCCF 7a_100000210228_100011934791 [0,2,0,0,0,0|1,0,1]=4 3339 B8R0.6 CCC(C)OCCCN 34a_100000182051_100011215416 [0,2,0,0,0,0|1,0,1]=4 3340 B8R0.6 CCC(C)OCCCO 7a_100000210228_100011215043 [0,2,0,0,0,0|1,0,1]=4 3341 B8R0.6 CCC(C)OCCOC 34a_100000210237_100011215416 [0,2,0,0,0,0|1,0,1]=4 3342 B8R0.6 CCC(C)OCCOC 7a_100000210228_100000233755 [0,2,0,0,0,0|1,0,1]=4 3343 B8R0.6 CCC(C)OCCSC 34a_100000230434_100011215416 [0,2,0,0,0,0|1,0,1]=4 3344 B8R0.6 CCC(C)OCCSC 7a_100000210228_100000212216 [0,2,0,0,0,0|1,0,1]=4 3345 B8R0.6 CCC(C)OCCSC 7a_100000230434_100000758301 [0,2,0,0,0,0|1,0,1]=4 3346 B8R0.6 CCC(C)SCCCF 62a_100000758301_100011934791 [0,2,0,0,0,0|1,0,1]=4 3347 B8R0.6 CCC(C)SCCCF 62a_100011934791_100000758301 [0,2,0,0,0,0|1,0,1]=4 3348 B8R0.6 CCC(C)SCCCO 62a_100000758301_100011215043 [0,2,0,0,0,0|1,0,1]=4 3349 B8R0.6 CCC(C)SCCCO 62a_100011215043_100000758301 [0,2,0,0,0,0|1,0,1]=4 3350 B8R0.6 CCC(C)SCCOC 62a_100000233755_100000758301 [0,2,0,0,0,0|1,0,1]=4 3351 B8R0.6 CCC(C)SCCOC 62a_100000758301_100000233755 [0,2,0,0,0,0|1,0,1]=4 3352 B8R0.6 CCC(C)SCCSC 62a_100000212216_100000758301 [0,2,0,0,0,0|1,0,1]=4 3353 B8R0.6 CCC(C)SCCSC 62a_100000758301_100000751147 [0,2,0,0,0,0|1,0,1]=4 3354 B8R0.6 CCCCCC(C)NC 2230a_100000211957_200000210301 [0,2,0,0,0,0|2,0,0]=4 3355 B8R0.6 CCCCCC(C)NC 2230a_106832991635_200011218191 [0,2,0,0,0,0|2,0,0]=4 3356 B8R0.6 CCCCCC(C)NC 270004a_106832991635_100000211708 [0,2,0,0,0,0|2,0,0]=4 3357 B8R0.6 CCCCCC(C)NC 34a_100102657272_200011218191 [0,2,0,0,0,0|2,0,0]=4 3358 B8R0.6 CCCCCC(C)NC 7a_106832991635_200011218191 [0,2,0,0,0,0|2,0,0]=4 3359 B8R0.6 CCCCCC(C)N[13CH3] 2230a_100000211957_200025704644 [0,2,0,0,0,0|2,0,0]=4 3360 B8R0.6 CCCCCC(C)OC 34a_100011215632_200000210301 [0,2,0,0,0,0|2,0,0]=4 3361 B8R0.6 CCCCCC(C)OC 34a_100138415774_200011218191 [0,2,0,0,0,0|2,0,0]=4 3362 B8R0.6 CCCCCC(C)OC 7a_100011215632_200000210301 [0,2,0,0,0,0|2,0,0]=4 3363 B8R0.6 CCCCCC(C)O[13CH3] 34a_100011215632_200025704644 [0,2,0,0,0,0|2,0,0]=4 3364 B8R0.6 CCCCCC(C)O[13CH3] 7a_100011215632_200025704644 [0,2,0,0,0,0|2,0,0]=4 3365 B8R0.6 CCCCCC(C)SC 62a_200000210301_200011218191 [0,2,0,0,0,0|2,0,0]=4 3366 B8R0.6 CCCCCC(C)SC 62a_200011218191_200000210301 [0,2,0,0,0,0|2,0,0]=4 3367 B8R0.6 CCCCCC(C)S[13CH3] 62a_200011218191_200025704644 [0,2,0,0,0,0|2,0,0]=4 3368 B8R0.6 CCCCCC(C)S[13CH3] 62a_200025704644_200011218191 [0,2,0,0,0,0|2,0,0]=4 3369 B8R0.6 CCCCNC(C)C#N 2230a_100000102301_100000184139 [0,2,0,0,0,0|1,0,1]=4 3370 B8R0.6 CCCCNC(C)C#N 2230a_100000737613_100000210211 [0,2,0,0,0,0|1,0,1]=4 3371 B8R0.6 CCCCNC(C)C#N 7a_106832991798_100000703298 [0,2,0,0,0,0|1,0,1]=4 3372 B8R0.6 CCCCNC(C)CC 2230a_100000102301_100000758301 [0,2,0,0,0,0|1,0,1]=4 3373 B8R0.6 CCCCNC(C)CC 2230a_100000209981_100000210211 [0,2,0,0,0,0|1,0,1]=4 3374 B8R0.6 CCCCNC(C)CC 7a_106832991798_100000758301 [0,2,0,0,0,0|1,0,1]=4 3375 B8R0.6 CCCCNC(C)CO 2230a_100000102301_100012180447 [0,2,0,0,0,0|0,0,2]=4 3376 B8R0.6 CCCCNC(C)CO 7a_106832991798_100012180447 [0,2,0,0,0,0|0,0,2]=4 3377 B8R0.6 CCCCN[C@H](C)CO 2230a_100000737577_100000210211 [0,2,0,0,0,0|0,0,2]=4 3378 B8R0.6 CCCCOC(C)C#N 34a_100011218135_100000210210 [0,2,0,0,0,0|1,0,1]=4 3379 B8R0.6 CCCCOC(C)C#N 7a_100000210227_100000703298 [0,2,0,0,0,0|1,0,1]=4 3380 B8R0.6 CCCCOC(C)CC 34a_100000210227_100011215416 [0,2,0,0,0,0|1,0,1]=4 3381 B8R0.6 CCCCOC(C)CC 7a_100000210227_100000758301 [0,2,0,0,0,0|1,0,1]=4 3382 B8R0.6 CCCCOC(C)CC 7a_100000210228_100000210211 [0,2,0,0,0,0|1,0,1]=4 3383 B8R0.6 CCCCOC(C)CF 34a_100016041109_100000210210 [0,2,0,0,0,0|1,0,1]=4 3384 B8R0.6 CCCCOC(C)CF 7a_100016041109_100000210211 [0,2,0,0,0,0|1,0,1]=4 3385 B8R0.6 CCCCOC(C)CN 34a_100000210904_100000210210 [0,2,0,0,0,0|1,0,1]=4 3386 B8R0.6 CCCCOC(C)CO 34a_100000210227_100012180447 [0,2,0,0,0,0|0,0,2]=4 3387 B8R0.6 CCCCOC(C)CO 7a_100000210227_100012180447 [0,2,0,0,0,0|0,0,2]=4 3388 B8R0.6 CCCCSC(C)C#N 62a_100000210211_100000703298 [0,2,0,0,0,0|1,0,1]=4 3389 B8R0.6 CCCCSC(C)C#N 62a_100000703298_100000210210 [0,2,0,0,0,0|1,0,1]=4 3390 B8R0.6 CCCCSC(C)CC 62a_100000210211_100000758301 [0,2,0,0,0,0|1,0,1]=4 3391 B8R0.6 CCCCSC(C)CC 62a_100000758301_100000210210 [0,2,0,0,0,0|1,0,1]=4 3392 B8R0.6 CCCCSC(C)CO 62a_100012180447_100000210210 [0,2,0,0,0,0|0,0,2]=4 3393 B8R0.6 CCCCSC(C)OC 62a_100000210211_100009879195 [0,2,0,0,0,0|2,0,0]=4 3394 B8R0.6 CCCCSC(C)OC 62a_100009879195_100000210210 [0,2,0,0,0,0|2,0,0]=4 3395 B8R0.6 CCCCS[C@H](C)CO 62a_100000210211_100016084084 [0,2,0,0,0,0|0,0,2]=4 3396 B8R0.6 CCCCS[C@H](C)CO 62a_100016084084_100000210210 [0,2,0,0,0,0|0,0,2]=4 3397 B8R0.6 CCCNCC(C)CC 2230a_100020588543_100000210303 [0,2,0,0,0,0|1,0,1]=4 3398 B8R0.6 CCCNCC(C)CC 270004a_100020643023_100000243153 [0,2,0,0,0,0|1,0,1]=4 3399 B8R0.6 CCCNCC(C)CO 34a_100000744482_100000210303 [0,2,0,0,0,0|0,0,2]=4 3400 B8R0.6 CCCNC[C@@H](C)OC 2230a_100020591295_100000210303 [0,2,0,0,0,0|2,0,0]=4 3401 B8R0.6 CCCOCC(C)CC 34a_100000210258_100000748023 [0,2,0,0,0,0|1,0,1]=4 3402 B8R0.6 CCCOCC(C)CN 34a_100000744482_100000210303 [0,2,0,0,0,0|1,0,1]=4 3403 B8R0.6 CCCOCC(C)OC 34a_100000690652_100000210303 [0,2,0,0,0,0|2,0,0]=4 3404 B8R0.6 CCCOC[C@@H](C)CC 34a_100000210258_100009816398 [0,2,0,0,0,0|1,0,1]=4 3405 B8R0.6 CCCOC[C@@H](C)CC 7a_100009816381_100000210303 [0,2,0,0,0,0|1,0,1]=4 3406 B8R0.6 CCCOC[C@@H](C)CO 34a_100000210258_100000059175 [0,2,0,0,0,0|0,0,2]=4 3407 B8R0.6 CCCSCC(C)CC 62a_100000210303_100000748023 [0,2,0,0,0,0|1,0,1]=4 3408 B8R0.6 CCCSCC(C)CC 62a_100000748023_100000210303 [0,2,0,0,0,0|1,0,1]=4 3409 B8R0.6 CCCSCC(C)NC 270004a_106832991635_100011343953 [0,2,0,0,0,0|2,0,0]=4 3410 B8R0.6 CCCSC[C@@H](C)CC 62a_100000210303_100009816398 [0,2,0,0,0,0|1,0,1]=4 3411 B8R0.6 CCCSC[C@@H](C)CC 62a_100009816398_100000210303 [0,2,0,0,0,0|1,0,1]=4 3412 B8R0.6 CCCSC[C@@H](C)CO 62a_100000059175_100000210303 [0,2,0,0,0,0|0,0,2]=4 3413 B8R0.6 CCCSC[C@@H](C)CO 62a_100000210303_100000059175 [0,2,0,0,0,0|0,0,2]=4 3414 B8R0.6 CCNCCC(C)CC 2230a_100020591266_100000210202 [0,2,0,0,0,0|1,0,1]=4 3415 B8R0.6 CCNCCC(C)CO 2230a_106354213184_100000210202 [0,2,0,0,0,0|0,0,2]=4 3416 B8R0.6 CCNCCC(C)CO 34a_106354213184_100000210202 [0,2,0,0,0,0|0,0,2]=4 3417 B8R0.6 CCOCCC(C)CC 7a_100011215188_100000210202 [0,2,0,0,0,0|1,0,1]=4 3418 B8R0.6 CCOCCC(C)NC 270004a_106832991635_200011216536 [0,2,0,0,0,0|2,0,0]=4 3419 B8R0.6 CCOCCC(C)OC 7a_100000764861_100000210202 [0,2,0,0,0,0|2,0,0]=4 3420 B8R0.6 CCOCSC(C)C#N 62a_100000703298_100000739092 [0,2,0,0,0,0|1,0,1]=4 3421 B8R0.6 CCOCSC(C)C#N 62a_100000739092_100000703298 [0,2,0,0,0,0|1,0,1]=4 3422 B8R0.6 CCOCSC(C)CC 62a_100000739092_100000758301 [0,2,0,0,0,0|1,0,1]=4 3423 B8R0.6 CCOCSC(C)CC 62a_100000758301_100000739092 [0,2,0,0,0,0|1,0,1]=4 3424 B8R0.6 CCOCSC(C)CO 62a_100012180447_100000739092 [0,2,0,0,0,0|0,0,2]=4 3425 B8R0.6 CCOCSC(C)OC 62a_100000739092_100009879195 [0,2,0,0,0,0|2,0,0]=4 3426 B8R0.6 CCOCSC(C)OC 62a_100009879195_100000739092 [0,2,0,0,0,0|2,0,0]=4 3427 B8R0.6 CCOCS[C@H](C)CO 62a_100000739092_100016084084 [0,2,0,0,0,0|0,0,2]=4 3428 B8R0.6 CCOCS[C@H](C)CO 62a_100016084084_100000739092 [0,2,0,0,0,0|0,0,2]=4 3429 B8R0.6 CC[C@H](C)CNCCF 34a_100000724931_100009816398 [0,2,0,0,0,0|1,0,1]=4 3430 B8R0.6 CC[C@H](C)CNCCO 2230a_100016997473_100009816398 [0,2,0,0,0,0|1,0,1]=4 3431 B8R0.6 CC[C@H](C)CNCCO 34a_100016990907_100009816398 [0,2,0,0,0,0|1,0,1]=4 3432 B8R0.6 CC[C@H](C)COCCBr 34a_100000211926_100009816398 [0,2,0,0,0,0|1,0,1]=4 3433 B8R0.6 CC[C@H](C)COCCF 7a_100009816381_100011217306 [0,2,0,0,0,0|1,0,1]=4 3434 B8R0.6 CC[C@H](C)COCCN 34a_100000210304_100009816398 [0,2,0,0,0,0|1,0,1]=4 3435 B8R0.6 CC[C@H](C)COCCO 7a_100009816381_100000211926 [0,2,0,0,0,0|1,0,1]=4 3436 B8R0.6 CC[C@H](C)CSCCF 62a_100009816398_100011217306 [0,2,0,0,0,0|1,0,1]=4 3437 B8R0.6 CC[C@H](C)CSCCF 62a_100011217306_100009816398 [0,2,0,0,0,0|1,0,1]=4 3438 B8R0.6 CC[C@H](C)CSCCO 62a_100000211926_100009816398 [0,2,0,0,0,0|1,0,1]=4 3439 B8R0.6 CC[C@H](C)CSCCO 62a_100009816398_100000211926 [0,2,0,0,0,0|1,0,1]=4 3440 B8R0.6 CC[C@H](C)CSCOC 62a_100000766300_100009816398 [0,2,0,0,0,0|1,0,1]=4 3441 B8R0.6 CC[C@H](C)CSCOC 62a_100009816398_100000766300 [0,2,0,0,0,0|1,0,1]=4 3442 B8R0.6 CC[C@H](C)CSCSC 62a_100009816398_100011218213 [0,2,0,0,0,0|1,0,1]=4 3443 B8R0.6 CC[C@H](C)CSCSC 62a_100011218213_100009816398 [0,2,0,0,0,0|1,0,1]=4 3444 B8R0.6 CNC(C)CCCC#N 270004a_106832991635_200000032708 [0,2,0,0,0,0|2,0,0]=4 3445 B8R0.6 CNC(C)CCCSC 270004a_106832991635_100011399439 [0,2,0,0,0,0|2,0,0]=4 3446 B8R0.6 COC(C)CCOCF 7a_100000764861_100015361967 [0,2,0,0,0,0|2,0,0]=4 3447 B8R0.6 COC(C)COCCF 34a_100000690652_100011217306 [0,2,0,0,0,0|2,0,0]=4 3448 B8R0.6 COC(C)COCCO 34a_100000690652_100000211926 [0,2,0,0,0,0|2,0,0]=4 3449 B8R0.6 COC(C)COCSC 34a_100000690652_100011218213 [0,2,0,0,0,0|2,0,0]=4 3450 B8R0.6 COC(C)SCCCF 62a_100009879195_100011934791 [0,2,0,0,0,0|2,0,0]=4 3451 B8R0.6 COC(C)SCCCF 62a_100011934791_100009879195 [0,2,0,0,0,0|2,0,0]=4 3452 B8R0.6 COC(C)SCCCO 62a_100009879195_100011215043 [0,2,0,0,0,0|2,0,0]=4 3453 B8R0.6 COC(C)SCCCO 62a_100011215043_100009879195 [0,2,0,0,0,0|2,0,0]=4 3454 B8R0.6 COC(C)SCCSC 62a_100000212216_100009879195 [0,2,0,0,0,0|2,0,0]=4 3455 B8R0.6 COC(C)SCCSC 62a_100009879195_100000751147 [0,2,0,0,0,0|2,0,0]=4 3456 B8R0.6 COCCCC(C)OC 34a_200011539412_200000210301 [0,2,0,0,0,0|2,0,0]=4 3457 B8R0.6 COCCCC(C)OC 7a_200011539412_200000210301 [0,2,0,0,0,0|2,0,0]=4 3458 B8R0.6 COCCCC(C)O[13CH3] 34a_200011539412_200025704644 [0,2,0,0,0,0|2,0,0]=4 3459 B8R0.6 COCCCC(C)O[13CH3] 7a_200011539412_200025704644 [0,2,0,0,0,0|2,0,0]=4 3460 B8R0.6 COCCC[C@@H](C)CN 34a_100160569302_200000210301 [0,2,0,0,0,0|1,0,1]=4 3461 B8R0.6 COCCNC(C)C#N 2230a_100000209980_100000184139 [0,2,0,0,0,0|1,0,1]=4 3462 B8R0.6 COCCNC(C)C#N 2230a_100000737613_100011201679 [0,2,0,0,0,0|1,0,1]=4 3463 B8R0.6 COCCNC(C)CO 2230a_100000209980_100012180447 [0,2,0,0,0,0|0,0,2]=4 3464 B8R0.6 COCCN[C@H](C)CO 2230a_100000737577_100011201679 [0,2,0,0,0,0|0,0,2]=4 3465 B8R0.6 COCCOC(C)C#N 34a_100011218135_100011201679 [0,2,0,0,0,0|1,0,1]=4 3466 B8R0.6 COCCOC(C)CF 34a_100016041109_100011201679 [0,2,0,0,0,0|1,0,1]=4 3467 B8R0.6 COCCOC(C)CF 7a_100016041109_100000233755 [0,2,0,0,0,0|1,0,1]=4 3468 B8R0.6 COCCOC(C)CN 34a_100000210904_100011201679 [0,2,0,0,0,0|1,0,1]=4 3469 B8R0.6 COCCOC(C)CO 34a_100000210237_100012180447 [0,2,0,0,0,0|0,0,2]=4 3470 B8R0.6 COCCSC(C)C#N 62a_100000233755_100000703298 [0,2,0,0,0,0|1,0,1]=4 3471 B8R0.6 COCCSC(C)C#N 62a_100000703298_100000233755 [0,2,0,0,0,0|1,0,1]=4 3472 B8R0.6 COCCSC(C)CO 62a_100012180447_100000233755 [0,2,0,0,0,0|0,0,2]=4 3473 B8R0.6 COCCSC(C)OC 62a_100000233755_100009879195 [0,2,0,0,0,0|2,0,0]=4 3474 B8R0.6 COCCSC(C)OC 62a_100009879195_100000233755 [0,2,0,0,0,0|2,0,0]=4 3475 B8R0.6 COCCS[C@H](C)CO 62a_100000233755_100016084084 [0,2,0,0,0,0|0,0,2]=4 3476 B8R0.6 COCCS[C@H](C)CO 62a_100016084084_100000233755 [0,2,0,0,0,0|0,0,2]=4 3477 B8R0.6 COCNC[C@@H](C)OC 2230a_100020591295_100000766300 [0,2,0,0,0,0|2,0,0]=4 3478 B8R0.6 COCSC[C@@H](C)CO 62a_100000059175_100000766300 [0,2,0,0,0,0|0,0,2]=4 3479 B8R0.6 COCSC[C@@H](C)CO 62a_100000766300_100000059175 [0,2,0,0,0,0|0,0,2]=4 3480 B8R0.6 CO[C@H](C)CNCCF 2230a_100020591295_100011217306 [0,2,0,0,0,0|2,0,0]=4 3481 B8R0.6 CO[C@H](C)CNCCO 2230a_100020591295_100000211926 [0,2,0,0,0,0|2,0,0]=4 3482 B8R0.6 CO[C@H](C)CNCSC 2230a_100020591295_100011218213 [0,2,0,0,0,0|2,0,0]=4 3483 B8R0.6 CSCCNC(C)C#N 2230a_100000737613_100000751147 [0,2,0,0,0,0|1,0,1]=4 3484 B8R0.6 CSCCNC(C)C#N 2230a_100020590264_100000184139 [0,2,0,0,0,0|1,0,1]=4 3485 B8R0.6 CSCCNC(C)CO 2230a_100020590264_100012180447 [0,2,0,0,0,0|0,0,2]=4 3486 B8R0.6 CSCCN[C@H](C)CO 2230a_100000737577_100000751147 [0,2,0,0,0,0|0,0,2]=4 3487 B8R0.6 CSCCOC(C)C#N 34a_100011218135_100000212216 [0,2,0,0,0,0|1,0,1]=4 3488 B8R0.6 CSCCOC(C)C#N 7a_100000230434_100000703298 [0,2,0,0,0,0|1,0,1]=4 3489 B8R0.6 CSCCOC(C)CF 34a_100016041109_100000212216 [0,2,0,0,0,0|1,0,1]=4 3490 B8R0.6 CSCCOC(C)CF 7a_100016041109_100000212216 [0,2,0,0,0,0|1,0,1]=4 3491 B8R0.6 CSCCOC(C)CN 34a_100000210904_100000212216 [0,2,0,0,0,0|1,0,1]=4 3492 B8R0.6 CSCCOC(C)CO 34a_100000230434_100012180447 [0,2,0,0,0,0|0,0,2]=4 3493 B8R0.6 CSCCOC(C)CO 7a_100000230434_100012180447 [0,2,0,0,0,0|0,0,2]=4 3494 B8R0.6 CSCCSC(C)C#N 62a_100000212216_100000703298 [0,2,0,0,0,0|1,0,1]=4 3495 B8R0.6 CSCCSC(C)C#N 62a_100000703298_100000751147 [0,2,0,0,0,0|1,0,1]=4 3496 B8R0.6 CSCCSC(C)CO 62a_100012180447_100000751147 [0,2,0,0,0,0|0,0,2]=4 3497 B8R0.6 CSCCS[C@H](C)CO 62a_100000212216_100016084084 [0,2,0,0,0,0|0,0,2]=4 3498 B8R0.6 CSCCS[C@H](C)CO 62a_100016084084_100000751147 [0,2,0,0,0,0|0,0,2]=4 3499 B8R0.6 CSCNCC(C)CO 34a_100000744482_100011218213 [0,2,0,0,0,0|0,0,2]=4 3500 B8R0.6 CSCOCC(C)CN 34a_100000744482_100011218213 [0,2,0,0,0,0|1,0,1]=4 3501 B8R0.6 CSCSC[C@@H](C)CO 62a_100000059175_100011218213 [0,2,0,0,0,0|0,0,2]=4 3502 B8R0.6 CSCSC[C@@H](C)CO 62a_100011218213_100000059175 [0,2,0,0,0,0|0,0,2]=4 3503 B8R0.6 C[C@@H](CN)CCCO[13CH3] 34a_100160569302_200025704644 [0,2,0,0,0,0|1,0,1]=4 3504 B8R0.6 C[C@@H](CO)CNCCF 34a_100000724931_100000059175 [0,2,0,0,0,0|0,0,2]=4 3505 B8R0.6 C[C@@H](CO)CNCCO 2230a_100016997473_100000059175 [0,2,0,0,0,0|0,0,2]=4 3506 B8R0.6 C[C@@H](CO)CNCCO 34a_100016990907_100000059175 [0,2,0,0,0,0|0,0,2]=4 3507 B8R0.6 C[C@@H](CO)COCCBr 34a_100000211926_100000059175 [0,2,0,0,0,0|0,0,2]=4 3508 B8R0.6 C[C@@H](CO)COCCN 34a_100000210304_100000059175 [0,2,0,0,0,0|0,0,2]=4 3509 B8R0.6 C[C@@H](CO)CSCCF 62a_100000059175_100011217306 [0,2,0,0,0,0|0,0,2]=4 3510 B8R0.6 C[C@@H](CO)CSCCF 62a_100011217306_100000059175 [0,2,0,0,0,0|0,0,2]=4 3511 B8R0.6 C[C@@H](CO)CSCCO 62a_100000059175_100000211926 [0,2,0,0,0,0|0,0,2]=4 3512 B8R0.6 C[C@@H](CO)CSCCO 62a_100000211926_100000059175 [0,2,0,0,0,0|0,0,2]=4 3513 B8R0.6 C[C@H](CO)NCCCF 2230a_100000737577_100011934791 [0,2,0,0,0,0|0,0,2]=4 3514 B8R0.6 C[C@H](CO)NCCCO 2230a_100000737577_100000230001 [0,2,0,0,0,0|0,0,2]=4 3515 B8R0.6 C[C@H](CO)SCCCF 62a_100011934791_100016084084 [0,2,0,0,0,0|0,0,2]=4 3516 B8R0.6 C[C@H](CO)SCCCF 62a_100016084084_100011934791 [0,2,0,0,0,0|0,0,2]=4 3517 B8R0.6 C[C@H](CO)SCCCO 62a_100011215043_100016084084 [0,2,0,0,0,0|0,0,2]=4 3518 B8R0.6 C[C@H](CO)SCCCO 62a_100016084084_100011215043 [0,2,0,0,0,0|0,0,2]=4 3519 B8R0.8 C#CCNC(C)C(=O)N 34a_100000212058_100000702099 [0,2,0,0,0,0|0,0,2]=4 3520 B8R0.8 C#CCN[C@@H](C)C(=O)O 269956a_100000743915_100000184674 [0,2,0,0,0,0|0,0,2]=4 3521 B8R0.8 C#CCN[C@H](C)C(=O)N 2230a_100000119354_100000038162 [0,2,0,0,0,0|0,0,2]=4 3522 B8R0.8 C#CCN[C@H](C)C(=O)N 34a_100000119354_100000184674 [0,2,0,0,0,0|0,0,2]=4 3523 B8R0.8 C#CCOC(C)C(=O)C 34a_100000212229_100000184674 [0,2,0,0,0,0|0,0,2]=4 3524 B8R0.8 C#CCOC(C)C(=O)N 34a_100000210247_100000702099 [0,2,0,0,0,0|0,0,2]=4 3525 B8R0.8 C#CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000038162 [0,2,0,0,0,0|0,0,2]=4 3526 B8R0.8 C#CCO[C@H](C)C(=O)N 34a_100000731257_100000184674 [0,2,0,0,0,0|0,0,2]=4 3527 B8R0.8 C#CCO[C@H](C)C(=O)N 7a_100000731257_100000038162 [0,2,0,0,0,0|0,0,2]=4 3528 B8R0.8 C#CCSC(C)C(=O)C 62a_100000038162_100009814033 [0,2,0,0,0,0|0,0,2]=4 3529 B8R0.8 C#CCSC(C)C(=O)N 62a_100000038162_100000702099 [0,2,0,0,0,0|0,0,2]=4 3530 B8R0.8 C=C(C)C(C)NCCC 269862a_100020643023_100011216138 [0,2,0,0,0,0|1,0,0]=3 3531 B8R0.8 C=C(C)C(C)NCCF 269862a_100000724931_100011216138 [0,2,0,0,0,0|2,0,0]=4 3532 B8R0.8 C=C(C)C(C)NCCO 269862a_100000210304_100011216138 [0,2,0,0,0,0|2,0,0]=4 3533 B8R0.8 C=CCCN(C)C(=O)C 11a_100020639649_100015343762 [0,2,0,0,0,0|1,0,1]=4 3534 B8R0.8 C=CCCN(C)C(=O)C 1626a_100020639649_100015343762 [0,2,0,0,0,0|1,0,1]=4 3535 B8R0.8 C=CCCN(C)C(=O)C 240690a_100020639649_100015343762 [0,2,0,0,0,0|1,0,1]=4 3536 B8R0.8 C=CCCN(C)C(=O)C 527a_100020639649_100103153847 [0,2,0,0,0,0|1,0,1]=4 3537 B8R0.8 C=CCNC(C)C(=O)C 2230a_100020586998_100009814033 [0,2,0,0,0,0|0,0,2]=4 3538 B8R0.8 C=CCNC(C)C(=O)N 2230a_100020586998_100000702099 [0,2,0,0,0,0|0,0,2]=4 3539 B8R0.8 C=CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210623 [0,2,0,0,0,0|0,0,2]=4 3540 B8R0.8 C=CCN[C@H](C)C(=O)N 2230a_100000119354_100000210623 [0,2,0,0,0,0|0,0,2]=4 3541 B8R0.8 C=CCN[C@H](C)C(=O)N 34a_100000119354_100015514636 [0,2,0,0,0,0|0,0,2]=4 3542 B8R0.8 C=CCOC(C)C(=O)C 34a_100000212229_100015514636 [0,2,0,0,0,0|0,0,2]=4 3543 B8R0.8 C=CCOC(C)C(=O)N 34a_200000210373_100000702099 [0,2,0,0,0,0|0,0,2]=4 3544 B8R0.8 C=CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100015514636 [0,2,0,0,0,0|0,0,2]=4 3545 B8R0.8 C=CCO[C@H](C)C(=O)N 34a_100000731257_100015514636 [0,2,0,0,0,0|0,0,2]=4 3546 B8R0.8 C=CCO[C@H](C)C(=O)N 7a_100000731257_100015514636 [0,2,0,0,0,0|0,0,2]=4 3547 B8R0.8 C=CCSC(C)C(=O)C 1458a_100000230602_200000210301 [0,2,0,0,0,0|0,0,2]=4 3548 B8R0.8 C=CCSC(C)C(=O)C 62a_100000210623_100009814033 [0,2,0,0,0,0|0,0,2]=4 3549 B8R0.8 C=CCSC(C)C(=O)C 62a_100009814033_100000210623 [0,2,0,0,0,0|0,0,2]=4 3550 B8R0.8 C=CCSC(C)C(=O)N 62a_100000210623_100000702099 [0,2,0,0,0,0|0,0,2]=4 3551 B8R0.8 C=CCSC(C)C(=O)N 62a_100000702099_100000210623 [0,2,0,0,0,0|0,0,2]=4 3552 B8R0.8 C=CCSC(C)C(=O)[13CH3] 1458a_100000230602_200025704644 [0,2,0,0,0,0|0,0,2]=4 3553 B8R0.8 CC(=O)C(C)COCF 34a_100000032740_100015361967 [0,2,0,0,0,0|1,0,0]=3 3554 B8R0.8 CC(=O)C(C)COCF 7a_100000032740_100015361967 [0,2,0,0,0,0|1,0,0]=3 3555 B8R0.8 CC(=O)C(C)NCCO 2230a_100016997473_100009814033 [0,2,0,0,0,0|1,0,0]=3 3556 B8R0.8 CC(=O)C(C)OCC=O 34a_100000212229_200009817547 [0,2,0,0,0,0|1,0,1]=4 3557 B8R0.8 CC(=O)C(C)OCCF 34a_100000212229_100011217306 [0,2,0,0,0,0|1,0,0]=3 3558 B8R0.8 CC(=O)C(C)OCCO 34a_100000212229_100000211926 [0,2,0,0,0,0|1,0,0]=3 3559 B8R0.8 CC(=O)C(C)SCC#N 62a_100009814033_100011215382 [0,2,0,0,0,0|1,0,1]=4 3560 B8R0.8 CC(=O)C(C)SCC#N 62a_100011215382_100009814033 [0,2,0,0,0,0|1,0,1]=4 3561 B8R0.8 CC(=O)C(C)SCC=O 62a_100009814033_200015260668 [0,2,0,0,0,0|1,0,1]=4 3562 B8R0.8 CC(=O)C(C)SCC=O 62a_200015260668_100009814033 [0,2,0,0,0,0|1,0,1]=4 3563 B8R0.8 CC(=O)C(C)SCCF 62a_100009814033_100011217306 [0,2,0,0,0,0|1,0,0]=3 3564 B8R0.8 CC(=O)C(C)SCCF 62a_100011217306_100009814033 [0,2,0,0,0,0|1,0,0]=3 3565 B8R0.8 CC(=O)C(C)SCCO 62a_100000211926_100009814033 [0,2,0,0,0,0|1,0,0]=3 3566 B8R0.8 CC(=O)C(C)SCCO 62a_100009814033_100000211926 [0,2,0,0,0,0|1,0,0]=3 3567 B8R0.8 CC(=O)N(C)CCC#N 11a_100000184479_100015343762 [0,2,0,0,0,0|1,0,1]=4 3568 B8R0.8 CC(=O)N(C)CCC#N 1626a_100000184479_100015343762 [0,2,0,0,0,0|1,0,1]=4 3569 B8R0.8 CC(=O)N(C)CCC#N 240690a_100000184479_100015343762 [0,2,0,0,0,0|1,0,1]=4 3570 B8R0.8 CC(=O)N(C)CCC#N 527a_100000184479_100103153847 [0,2,0,0,0,0|1,0,1]=4 3571 B8R0.8 CC(=O)N(C)CCCO 240690a_100000213112_100015343762 [0,2,0,0,0,0|1,0,0]=3 3572 B8R0.8 CC(=O)N(C)CCCO 527a_100000213112_100103153847 [0,2,0,0,0,0|1,0,0]=3 3573 B8R0.8 CC(CNCF)C(=O)O 269956a_100000749485_100015361967 [0,2,0,0,0,0|1,0,0]=3 3574 B8R0.8 CC(COCF)[N+](=O)[O-] 34a_100000039676_100015361967 [0,2,0,0,0,0|2,0,0]=4 3575 B8R0.8 CC(COCF)[N+](=O)[O-] 7a_100000039676_100015361967 [0,2,0,0,0,0|2,0,0]=4 3576 B8R0.8 CC(NCCF)C(=O)N 34a_100000724931_100000702099 [0,2,0,0,0,0|1,0,0]=3 3577 B8R0.8 CC(NCCO)C(=O)N 2230a_100016997473_100000702099 [0,2,0,0,0,0|1,0,0]=3 3578 B8R0.8 CC(NCCO)C(=O)N 34a_100016990907_100000702099 [0,2,0,0,0,0|1,0,0]=3 3579 B8R0.8 CC(OCCBr)C(=O)N 34a_100000211926_100000702099 [0,2,0,0,0,0|1,0,0]=3 3580 B8R0.8 CC(OCCN)C(=O)N 34a_100000210304_100000702099 [0,2,0,0,0,0|1,0,0]=3 3581 B8R0.8 CC(SCC#N)C(=O)N 62a_100000702099_100011215382 [0,2,0,0,0,0|1,0,1]=4 3582 B8R0.8 CC(SCC#N)C(=O)N 62a_100011215382_100000702099 [0,2,0,0,0,0|1,0,1]=4 3583 B8R0.8 CC(SCC=O)C(=O)N 62a_100000702099_200015260668 [0,2,0,0,0,0|1,0,1]=4 3584 B8R0.8 CC(SCC=O)C(=O)N 62a_200015260668_100000702099 [0,2,0,0,0,0|1,0,1]=4 3585 B8R0.8 CC(SCCF)C(=O)N 62a_100000702099_100011217306 [0,2,0,0,0,0|1,0,0]=3 3586 B8R0.8 CC(SCCF)C(=O)N 62a_100011217306_100000702099 [0,2,0,0,0,0|1,0,0]=3 3587 B8R0.8 CC(SCCO)C(=O)N 62a_100000211926_100000702099 [0,2,0,0,0,0|1,0,0]=3 3588 B8R0.8 CC(SCCO)C(=O)N 62a_100000702099_100000211926 [0,2,0,0,0,0|1,0,0]=3 3589 B8R0.8 CCC/C=C(\C)/C(=O)C 1458a_200020648666_200000210301 [0,2,0,0,0,0|0,0,1]=3 3590 B8R0.8 CCC/C=C(\C)/C(=O)[13CH3] 1458a_200020648666_200025704644 [0,2,0,0,0,0|0,0,1]=3 3591 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [0,2,0,0,0,0|0,0,0]=2 3592 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [0,2,0,0,0,0|0,0,0]=2 3593 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [0,2,0,0,0,0|0,0,0]=2 3594 B8R0.8 CCCCC(C)N(C)C 2230a_100102631434_200011215066 [0,2,0,0,0,0|2,0,0]=4 3595 B8R0.8 CCCCC(C)N(C)C 269982a_100102631434_200011215066 [0,2,0,0,0,0|2,0,0]=4 3596 B8R0.8 CCCCC(C)N(C)C 270004a_100102631434_100000210087 [0,2,0,0,0,0|2,0,0]=4 3597 B8R0.8 CCCCC(O)C(=O)C 1458a_100000720857_200000210301 [0,2,0,0,0,0|1,0,0]=3 3598 B8R0.8 CCCCC(O)C(=O)[13CH3] 1458a_100000720857_200025704644 [0,2,0,0,0,0|1,0,0]=3 3599 B8R0.8 CCCCN(C)C(=O)C 11a_100000207549_100015343762 [0,2,0,0,0,0|1,0,0]=3 3600 B8R0.8 CCCCN(C)C(=O)C 1626a_100000207549_100015343762 [0,2,0,0,0,0|1,0,0]=3 3601 B8R0.8 CCCCN(C)C(=O)C 240690a_100000207549_100015343762 [0,2,0,0,0,0|1,0,0]=3 3602 B8R0.8 CCCCN(C)C(=O)C 527a_100000207549_100103153847 [0,2,0,0,0,0|1,0,0]=3 3603 B8R0.8 CCCNC(=O)C(=O)C 1458a_200011297150_200000210301 [0,2,0,0,0,0|1,0,1]=4 3604 B8R0.8 CCCNC(=O)C(=O)N 240690a_100020643023_100011215815 [0,2,0,0,0,0|1,0,1]=4 3605 B8R0.8 CCCNC(=O)C(=O)[13CH3] 1458a_200011297150_200025704644 [0,2,0,0,0,0|1,0,1]=4 3606 B8R0.8 CCCNC(C)C(C)C 2230a_100000211541_100000210303 [0,2,0,0,0,0|1,0,1]=4 3607 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [0,2,0,0,0,0|0,0,0]=2 3608 B8R0.8 CCCN[C@H](C)C(=O)N 2230a_100000119354_100000210303 [0,2,0,0,0,0|0,0,0]=2 3609 B8R0.8 CCCN[C@H](C)C(=O)N 34a_100000119354_100000210303 [0,2,0,0,0,0|0,0,0]=2 3610 B8R0.8 CCCOC(C)C(=O)C 34a_100000212229_100000210303 [0,2,0,0,0,0|0,0,0]=2 3611 B8R0.8 CCCOC(C)C(=O)N 34a_100000210258_100000702099 [0,2,0,0,0,0|0,0,0]=2 3612 B8R0.8 CCCOC(C)C(C)C 7a_100000748068_100000210303 [0,2,0,0,0,0|1,0,1]=4 3613 B8R0.8 CCCOC(F)C(=O)N 34a_100000210258_100009813875 [0,2,0,0,0,0|1,0,0]=3 3614 B8R0.8 CCCOC(F)C(=O)[O-] 34a_100000210258_100020610796 [0,2,0,0,0,0|1,0,0]=3 3615 B8R0.8 CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210303 [0,2,0,0,0,0|0,0,0]=2 3616 B8R0.8 CCCO[C@H](C)C(=O)N 34a_100000731257_100000210303 [0,2,0,0,0,0|0,0,0]=2 3617 B8R0.8 CCCO[C@H](C)C(=O)N 7a_100000731257_100000210303 [0,2,0,0,0,0|0,0,0]=2 3618 B8R0.8 CCCSC(C)C(=O)C 62a_100000210303_100009814033 [0,2,0,0,0,0|0,0,0]=2 3619 B8R0.8 CCCSC(C)C(=O)C 62a_100009814033_100000210303 [0,2,0,0,0,0|0,0,0]=2 3620 B8R0.8 CCCSC(C)C(=O)N 62a_100000210303_100000702099 [0,2,0,0,0,0|0,0,0]=2 3621 B8R0.8 CCCSC(C)C(=O)N 62a_100000702099_100000210303 [0,2,0,0,0,0|0,0,0]=2 3622 B8R0.8 CCCSC(F)C(=O)N 62a_100000210303_100009813875 [0,2,0,0,0,0|1,0,0]=3 3623 B8R0.8 CCCSC(F)C(=O)N 62a_100009813875_100000210303 [0,2,0,0,0,0|1,0,0]=3 3624 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100000210303_100020610796 [0,2,0,0,0,0|1,0,0]=3 3625 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100020610796_100000210303 [0,2,0,0,0,0|1,0,0]=3 3626 B8R0.8 CCNCC(C)C(=O)O 269956a_100000749485_100000210202 [0,2,0,0,0,0|0,0,0]=2 3627 B8R0.8 CCNCC(F)C(=O)O 269956a_100000084737_100000210202 [0,2,0,0,0,0|1,0,0]=3 3628 B8R0.8 CCOCC(=O)C(=O)C 34a_100121572206_100011261029 [0,2,0,0,0,0|1,0,1]=4 3629 B8R0.8 CCOCC(C)C(=O)C 34a_100000032740_100000210202 [0,2,0,0,0,0|0,0,0]=2 3630 B8R0.8 CCOCC(C)C(=O)C 7a_100000032740_100000210202 [0,2,0,0,0,0|0,0,0]=2 3631 B8R0.8 CCOCC(C)[N+](=O)[O-] 34a_100000039676_100000210202 [0,2,0,0,0,0|1,0,0]=3 3632 B8R0.8 CCOCC(C)[N+](=O)[O-] 7a_100000039676_100000210202 [0,2,0,0,0,0|1,0,0]=3 3633 B8R0.8 CCOC[C@H](N)C(=O)N 34a_100000729942_100000210202 [0,2,0,0,0,0|1,0,0]=3 3634 B8R0.8 CCSCC(=O)C(=O)C 62a_100000210202_100011261029 [0,2,0,0,0,0|1,0,1]=4 3635 B8R0.8 CCSCC(=O)C(=O)C 62a_100011261029_100000210202 [0,2,0,0,0,0|1,0,1]=4 3636 B8R0.8 CCSCC(C)N(C)C 270004a_100102631434_200011216171 [0,2,0,0,0,0|2,0,0]=4 3637 B8R0.8 COCCC(C)N(C)C 270004a_100102631434_100000742357 [0,2,0,0,0,0|2,0,0]=4 3638 B8R0.8 COCCN(C)C(=O)C 11a_100000743101_100015343762 [0,2,0,0,0,0|1,0,0]=3 3639 B8R0.8 COCCN(C)C(=O)C 1626a_100000743101_100015343762 [0,2,0,0,0,0|1,0,0]=3 3640 B8R0.8 COCCN(C)C(=O)C 240690a_100000743101_100015343762 [0,2,0,0,0,0|1,0,0]=3 3641 B8R0.8 COCCN(C)C(=O)C 527a_100000743101_100103153847 [0,2,0,0,0,0|1,0,0]=3 3642 B8R0.8 COCN[C@@H](C)C(=O)O 269956a_100000743915_100000766300 [0,2,0,0,0,0|1,0,0]=3 3643 B8R0.8 COCN[C@H](C)C(=O)N 2230a_100000119354_100000766300 [0,2,0,0,0,0|1,0,0]=3 3644 B8R0.8 COCSC(C)C(=O)C 62a_100000766300_100009814033 [0,2,0,0,0,0|1,0,0]=3 3645 B8R0.8 COCSC(C)C(=O)C 62a_100009814033_100000766300 [0,2,0,0,0,0|1,0,0]=3 3646 B8R0.8 COCSC(C)C(=O)N 62a_100000702099_100000766300 [0,2,0,0,0,0|1,0,0]=3 3647 B8R0.8 COCSC(C)C(=O)N 62a_100000766300_100000702099 [0,2,0,0,0,0|1,0,0]=3 3648 B8R0.8 COCSC(F)C(=O)N 62a_100000766300_100009813875 [0,2,0,0,0,0|2,0,0]=4 3649 B8R0.8 COCSC(F)C(=O)N 62a_100009813875_100000766300 [0,2,0,0,0,0|2,0,0]=4 3650 B8R0.8 COCSC(F)C(=O)[O-] 62a_100000766300_100020610796 [0,2,0,0,0,0|2,0,0]=4 3651 B8R0.8 COCSC(F)C(=O)[O-] 62a_100020610796_100000766300 [0,2,0,0,0,0|2,0,0]=4 3652 B8R0.8 CSCCC(C)N(C)C 270004a_100102631434_100011217047 [0,2,0,0,0,0|2,0,0]=4 3653 B8R0.8 CSCCC(O)C(=O)C 1458a_100000685904_200000210301 [0,2,0,0,0,0|1,0,0]=3 3654 B8R0.8 CSCCC(O)C(=O)[13CH3] 1458a_100000685904_200025704644 [0,2,0,0,0,0|1,0,0]=3 3655 B8R0.8 CSCCN(C)C(=O)C 11a_100000686725_100015343762 [0,2,0,0,0,0|1,0,0]=3 3656 B8R0.8 CSCCN(C)C(=O)C 1626a_100000686725_100015343762 [0,2,0,0,0,0|1,0,0]=3 3657 B8R0.8 CSCCN(C)C(=O)C 240690a_100000686725_100015343762 [0,2,0,0,0,0|1,0,0]=3 3658 B8R0.8 CSCCN(C)C(=O)C 527a_100000686725_100103153847 [0,2,0,0,0,0|1,0,0]=3 3659 B8R0.8 CSCN[C@@H](C)C(=O)O 269956a_100000743915_100011218213 [0,2,0,0,0,0|1,0,0]=3 3660 B8R0.8 CSCN[C@H](C)C(=O)N 2230a_100000119354_100011218213 [0,2,0,0,0,0|1,0,0]=3 3661 B8R0.8 CSCN[C@H](C)C(=O)N 34a_100000119354_100011218213 [0,2,0,0,0,0|1,0,0]=3 3662 B8R0.8 CSCOC(C)C(=O)C 34a_100000212229_100011218213 [0,2,0,0,0,0|1,0,0]=3 3663 B8R0.8 CSCO[C@H](C)C(=O)N 34a_100000731257_100011218213 [0,2,0,0,0,0|1,0,0]=3 3664 B8R0.8 CSCSC(C)C(=O)C 62a_100009814033_100011218213 [0,2,0,0,0,0|1,0,0]=3 3665 B8R0.8 CSCSC(C)C(=O)C 62a_100011218213_100009814033 [0,2,0,0,0,0|1,0,0]=3 3666 B8R0.8 CSCSC(C)C(=O)N 62a_100000702099_100011218213 [0,2,0,0,0,0|1,0,0]=3 3667 B8R0.8 CSCSC(C)C(=O)N 62a_100011218213_100000702099 [0,2,0,0,0,0|1,0,0]=3 3668 B8R0.8 CSCSC(F)C(=O)N 62a_100009813875_100011218213 [0,2,0,0,0,0|2,0,0]=4 3669 B8R0.8 CSCSC(F)C(=O)N 62a_100011218213_100009813875 [0,2,0,0,0,0|2,0,0]=4 3670 B8R0.8 CSCSC(F)C(=O)[O-] 62a_100011218213_100020610796 [0,2,0,0,0,0|2,0,0]=4 3671 B8R0.8 CSCSC(F)C(=O)[O-] 62a_100020610796_100011218213 [0,2,0,0,0,0|2,0,0]=4 3672 B8R0.8 C[C@@H](NCC#N)C(=O)N 2230a_100000119354_100011215382 [0,2,0,0,0,0|1,0,1]=4 3673 B8R0.8 C[C@@H](NCC=O)C(=O)N 2230a_100000119354_200015260668 [0,2,0,0,0,0|1,0,1]=4 3674 B8R0.8 C[C@@H](NCC=O)C(=O)N 34a_100000119354_200009817547 [0,2,0,0,0,0|1,0,1]=4 3675 B8R0.8 C[C@@H](NCCF)C(=O)N 2230a_100000119354_100011217306 [0,2,0,0,0,0|1,0,0]=3 3676 B8R0.8 C[C@@H](NCCF)C(=O)N 34a_100000119354_100011217306 [0,2,0,0,0,0|1,0,0]=3 3677 B8R0.8 C[C@@H](NCCO)C(=O)N 2230a_100000119354_100000211926 [0,2,0,0,0,0|1,0,0]=3 3678 B8R0.8 C[C@@H](NCCO)C(=O)N 34a_100000119354_100000211926 [0,2,0,0,0,0|1,0,0]=3 3679 B8R0.8 C[C@@H](OCC#N)C(=O)N 7a_100000731257_100011215382 [0,2,0,0,0,0|1,0,1]=4 3680 B8R0.8 C[C@@H](OCC=O)C(=O)N 34a_100000731257_200009817547 [0,2,0,0,0,0|1,0,1]=4 3681 B8R0.8 C[C@@H](OCC=O)C(=O)N 7a_100000731257_200015260668 [0,2,0,0,0,0|1,0,1]=4 3682 B8R0.8 C[C@@H](OCCF)C(=O)N 34a_100000731257_100011217306 [0,2,0,0,0,0|1,0,0]=3 3683 B8R0.8 C[C@@H](OCCF)C(=O)N 7a_100000731257_100011217306 [0,2,0,0,0,0|1,0,0]=3 3684 B8R0.8 C[C@@H](OCCO)C(=O)N 34a_100000731257_100000211926 [0,2,0,0,0,0|1,0,0]=3 3685 B8R0.8 C[C@@H](OCCO)C(=O)N 7a_100000731257_100000211926 [0,2,0,0,0,0|1,0,0]=3 3686 B8R0.8 C[C@H](NCC#N)C(=O)O 269956a_100000743915_100011215382 [0,2,0,0,0,0|1,0,1]=4 3687 B8R0.8 C[C@H](NCC=O)C(=O)O 269956a_100000743915_200015260668 [0,2,0,0,0,0|1,0,1]=4 3688 B8R0.8 C[C@H](NCCF)C(=O)O 269956a_100000743915_100011217306 [0,2,0,0,0,0|1,0,0]=3 3689 B8R0.8 C[C@H](NCCO)C(=O)O 269956a_100000743915_100000211926 [0,2,0,0,0,0|1,0,0]=3 3690 B8R0.8 C[C@H](OCC#N)C(=O)[O-] 7a_217856618621_100011215382 [0,2,0,0,0,0|1,0,1]=4 3691 B8R0.8 C[C@H](OCC=O)C(=O)[O-] 7a_217856618621_200015260668 [0,2,0,0,0,0|1,0,1]=4 3692 B8R0.8 C[C@H](OCCF)C(=O)[O-] 7a_217856618621_100011217306 [0,2,0,0,0,0|1,0,0]=3 3693 B8R0.8 C[C@H](OCCO)C(=O)[O-] 7a_217856618621_100000211926 [0,2,0,0,0,0|1,0,0]=3 3694 B8R0.8 NC(=O)C(F)NCCF 34a_100000724931_100009813875 [0,2,0,0,0,0|2,0,0]=4 3695 B8R0.8 NC(=O)C(F)NCCO 2230a_100016997473_100009813875 [0,2,0,0,0,0|2,0,0]=4 3696 B8R0.8 NC(=O)C(F)NCCO 34a_100016990907_100009813875 [0,2,0,0,0,0|2,0,0]=4 3697 B8R0.8 NC(=O)C(F)OCCBr 34a_100000211926_100009813875 [0,2,0,0,0,0|2,0,0]=4 3698 B8R0.8 NC(=O)C(F)SCCF 62a_100009813875_100011217306 [0,2,0,0,0,0|2,0,0]=4 3699 B8R0.8 NC(=O)C(F)SCCF 62a_100011217306_100009813875 [0,2,0,0,0,0|2,0,0]=4 3700 B8R0.8 NC(=O)C(F)SCCO 62a_100000211926_100009813875 [0,2,0,0,0,0|2,0,0]=4 3701 B8R0.8 NC(=O)C(F)SCCO 62a_100009813875_100000211926 [0,2,0,0,0,0|2,0,0]=4 3702 B8R0.8 NC(=O)[C@@H](N)COCF 34a_100000729942_100015361967 [0,2,0,0,0,0|2,0,0]=4 3703 B8R0.8 NCCOC(F)C(=O)N 34a_100000210304_100009813875 [0,2,0,0,0,0|2,0,0]=4 3704 B8R0.8 NCCOC(F)C(=O)[O-] 34a_100000210304_100020610796 [0,2,0,0,0,0|2,0,0]=4 3705 B8R0.8 O=C(O)C(F)CNCF 269956a_100000084737_100015361967 [0,2,0,0,0,0|2,0,0]=4 3706 B8R0.8 O=C([O-])C(F)NCCF 34a_100000724931_100020610796 [0,2,0,0,0,0|2,0,0]=4 3707 B8R0.8 O=C([O-])C(F)NCCO 34a_100016990907_100020610796 [0,2,0,0,0,0|2,0,0]=4 3708 B8R0.8 O=C([O-])C(F)OCCBr 34a_100000211926_100020610796 [0,2,0,0,0,0|2,0,0]=4 3709 B8R0.8 O=C([O-])C(F)SCCF 62a_100011217306_100020610796 [0,2,0,0,0,0|2,0,0]=4 3710 B8R0.8 O=C([O-])C(F)SCCF 62a_100020610796_100011217306 [0,2,0,0,0,0|2,0,0]=4 3711 B8R0.8 O=C([O-])C(F)SCCO 62a_100000211926_100020610796 [0,2,0,0,0,0|2,0,0]=4 3712 B8R0.8 O=C([O-])C(F)SCCO 62a_100020610796_100000211926 [0,2,0,0,0,0|2,0,0]=4 3713 B8R0.9 C#CC(C)NCC(C)C 2230a_100000707721_100000210760 [0,2,0,0,0,0|1,0,1]=4 3714 B8R0.9 C#CC(C)NCC(C)C 270004a_100000707721_100000210432 [0,2,0,0,0,0|1,0,1]=4 3715 B8R0.9 C#CC(C)NCC(C)C 34a_100000210953_200000035995 [0,2,0,0,0,0|1,0,1]=4 3716 B8R0.9 C#CC(C)NCC(C)C 34a_100000707721_100000210624 [0,2,0,0,0,0|1,0,1]=4 3717 B8R0.9 C#CC(C)NCC(C)O 2230a_100000707721_100011218427 [0,2,0,0,0,0|1,0,1]=4 3718 B8R0.9 C#CC(C)NCC(C)O 34a_100000210904_200000035995 [0,2,0,0,0,0|1,0,1]=4 3719 B8R0.9 C#CC(C)NCC(C)O 34a_100000707721_100011218427 [0,2,0,0,0,0|1,0,1]=4 3720 B8R0.9 C#CC(C)NC[C@@H](C)O 2230a_100000707721_100009817552 [0,2,0,0,0,0|1,0,1]=4 3721 B8R0.9 C#CC(C)NC[C@@H](C)O 34a_100000707721_100009817552 [0,2,0,0,0,0|1,0,1]=4 3722 B8R0.9 C#CC(C)OCC(C)Br 34a_100012180447_200000035995 [0,2,0,0,0,0|1,0,1]=4 3723 B8R0.9 C#CC(C)OCC(C)C 34a_100000210257_200000035995 [0,2,0,0,0,0|1,0,1]=4 3724 B8R0.9 C#CC(C)OCC(C)F 34a_100015925927_200000035995 [0,2,0,0,0,0|1,0,1]=4 3725 B8R0.9 C#CC(C)OC[C@@H](C)Cl 34a_100016084084_200000035995 [0,2,0,0,0,0|1,0,1]=4 3726 B8R0.9 C#CC(C)OC[C@@H](C)N 34a_100000737577_200000035995 [0,2,0,0,0,0|1,0,1]=4 3727 B8R0.9 C#CC(C)SCC(C)C 62a_200000035995_100000210760 [0,2,0,0,0,0|1,0,1]=4 3728 B8R0.9 C#CC(C)SCC(C)O 62a_200000035995_100011218427 [0,2,0,0,0,0|1,0,1]=4 3729 B8R0.9 C#CC(C)SC[C@@H](C)O 62a_200000035995_100009817552 [0,2,0,0,0,0|1,0,1]=4 3730 B8R0.9 C#C[C@@H](C)OCC(C)C 34a_100009815206_100000210624 [0,2,0,0,0,0|1,0,1]=4 3731 B8R0.9 C#C[C@@H](C)OCC(C)C 7a_100009815206_100000210760 [0,2,0,0,0,0|1,0,1]=4 3732 B8R0.9 C#C[C@@H](C)OCC(C)O 34a_100009815206_100011218427 [0,2,0,0,0,0|1,0,1]=4 3733 B8R0.9 C#C[C@@H](C)OCC(C)O 7a_100009815206_100011218427 [0,2,0,0,0,0|1,0,1]=4 3734 B8R0.9 C#C[C@@H](C)OC[C@@H](C)O 34a_100009815206_100009817552 [0,2,0,0,0,0|1,0,1]=4 3735 B8R0.9 C#C[C@@H](C)OC[C@@H](C)O 7a_100009815206_100009817552 [0,2,0,0,0,0|1,0,1]=4 3736 B8R0.9 C=C(C)CCC(C)NC 270004a_106832991635_100011215600 [0,2,0,0,0,0|2,0,0]=4 3737 B8R0.9 C=CC(C)COC(C)C 34a_100011215527_100000210206 [0,2,0,0,0,0|1,0,0]=3 3738 B8R0.9 C=CC(C)COC(C)C 7a_100011215527_100000210206 [0,2,0,0,0,0|1,0,0]=3 3739 B8R0.9 C=CC(C)OCC(=C)C 34a_100000695699_100000748629 [0,2,0,0,0,0|1,0,1]=4 3740 B8R0.9 C=CC(C)OCC(C)C 34a_100000695699_100000210624 [0,2,0,0,0,0|1,0,0]=3 3741 B8R0.9 C=CC(C)OCC(C)O 34a_100000695699_100011218427 [0,2,0,0,0,0|1,0,0]=3 3742 B8R0.9 C=CC(C)OCC(F)F 34a_100000695699_100011934356 [0,2,0,0,0,0|2,0,0]=4 3743 B8R0.9 C=CC(C)OC[C@@H](C)O 34a_100000695699_100009817552 [0,2,0,0,0,0|1,0,0]=3 3744 B8R0.9 C=CC(C)SCC(=C)C 62a_100011215867_100000211660 [0,2,0,0,0,0|1,0,1]=4 3745 B8R0.9 C=CC(C)SCC(C)C 62a_100011215867_100000210760 [0,2,0,0,0,0|1,0,0]=3 3746 B8R0.9 C=CC(C)SCC(C)O 62a_100011215867_100011218427 [0,2,0,0,0,0|1,0,0]=3 3747 B8R0.9 C=CC(C)SCC(F)F 62a_100011215867_100011934356 [0,2,0,0,0,0|2,0,0]=4 3748 B8R0.9 C=CC(C)SC[C@@H](C)O 62a_100011215867_100009817552 [0,2,0,0,0,0|1,0,0]=3 3749 B8R0.9 C=CC(O)CNC(C)C 2230a_100138425928_100000730141 [0,2,0,0,0,0|2,0,0]=4 3750 B8R0.9 C=CC(O)CNC(C)C 34a_100138425928_100000730141 [0,2,0,0,0,0|2,0,0]=4 3751 B8R0.9 C=CC(O)COC(C)C 34a_100000212225_100000730141 [0,2,0,0,0,0|2,0,0]=4 3752 B8R0.9 C=CC(O)CSC(C)C 62a_100000210206_100000730141 [0,2,0,0,0,0|2,0,0]=4 3753 B8R0.9 C=CC(O)CSC(C)C 62a_100000730141_100000210206 [0,2,0,0,0,0|2,0,0]=4 3754 B8R0.9 C=C[C@H](N)COC(C)C 34a_100016989147_100000210206 [0,2,0,0,0,0|2,0,0]=4 3755 B8R0.9 CC(Br)COC(C)CO 34a_100012180447_100012180447 [0,2,0,0,0,0|0,0,2]=4 3756 B8R0.9 CC(C#N)NC[C@@H](C)O 2230a_100000737613_100009817552 [0,2,0,0,0,0|1,0,1]=4 3757 B8R0.9 CC(C#N)OC[C@@H](C)O 34a_100011218135_100009817552 [0,2,0,0,0,0|1,0,1]=4 3758 B8R0.9 CC(C#N)SC[C@@H](C)O 62a_100000703298_100009817552 [0,2,0,0,0,0|1,0,1]=4 3759 B8R0.9 CC(C#N)SC[C@@H](C)O 62a_100009817552_100000703298 [0,2,0,0,0,0|1,0,1]=4 3760 B8R0.9 CC(C)CCC(C)N[13CH3] 2230a_100138410893_200025704644 [0,2,0,0,0,0|2,0,0]=4 3761 B8R0.9 CC(C)CCC(C)O[13CH3] 34a_100011215350_200025704644 [0,2,0,0,0,0|2,0,0]=4 3762 B8R0.9 CC(C)CCC(C)O[13CH3] 7a_100011215350_200025704644 [0,2,0,0,0,0|2,0,0]=4 3763 B8R0.9 CC(C)CCC(C)S[13CH3] 62a_100011261404_200025704644 [0,2,0,0,0,0|2,0,0]=4 3764 B8R0.9 CC(C)CCC(C)S[13CH3] 62a_200025704644_100011261404 [0,2,0,0,0,0|2,0,0]=4 3765 B8R0.9 CC(C)CNC(C)C#N 2230a_100000210953_100000184139 [0,2,0,0,0,0|1,0,1]=4 3766 B8R0.9 CC(C)CNC(C)C#N 2230a_100000737613_100000210760 [0,2,0,0,0,0|1,0,1]=4 3767 B8R0.9 CC(C)CNC(C)CO 2230a_100000210953_100012180447 [0,2,0,0,0,0|0,0,2]=4 3768 B8R0.9 CC(C)CNC(C)CO 34a_100000210953_100012180447 [0,2,0,0,0,0|0,0,2]=4 3769 B8R0.9 CC(C)CN[C@H](C)CF 270004a_100102880703_100000210432 [0,2,0,0,0,0|1,0,1]=4 3770 B8R0.9 CC(C)CN[C@H](C)CO 2230a_100000737577_100000210760 [0,2,0,0,0,0|0,0,2]=4 3771 B8R0.9 CC(C)CN[C@H](C)CO 270004a_100000737577_100000210432 [0,2,0,0,0,0|0,0,2]=4 3772 B8R0.9 CC(C)COC(C)C#N 34a_100011218135_100000210624 [0,2,0,0,0,0|1,0,1]=4 3773 B8R0.9 CC(C)COC(C)CF 34a_100016041109_100000210624 [0,2,0,0,0,0|1,0,1]=4 3774 B8R0.9 CC(C)COC(C)CF 7a_100016041109_100000210760 [0,2,0,0,0,0|1,0,1]=4 3775 B8R0.9 CC(C)COC(C)CN 34a_100000210904_100000210624 [0,2,0,0,0,0|1,0,1]=4 3776 B8R0.9 CC(C)COC(C)CO 34a_100000210257_100012180447 [0,2,0,0,0,0|0,0,2]=4 3777 B8R0.9 CC(C)CSC(C)C#N 62a_100000210624_100000703298 [0,2,0,0,0,0|1,0,1]=4 3778 B8R0.9 CC(C)CSC(C)C#N 62a_100000703298_100000210760 [0,2,0,0,0,0|1,0,1]=4 3779 B8R0.9 CC(C)CSC(C)CO 62a_100012180447_100000210760 [0,2,0,0,0,0|0,0,2]=4 3780 B8R0.9 CC(C)CS[C@H](C)CO 62a_100000210624_100016084084 [0,2,0,0,0,0|0,0,2]=4 3781 B8R0.9 CC(C)CS[C@H](C)CO 62a_100016084084_100000210760 [0,2,0,0,0,0|0,0,2]=4 3782 B8R0.9 CC(C)NC[C@@H](C)CO 2230a_100138425928_100000059175 [0,2,0,0,0,0|0,0,2]=4 3783 B8R0.9 CC(C)NC[C@@H](C)CO 34a_100138425928_100000059175 [0,2,0,0,0,0|0,0,2]=4 3784 B8R0.9 CC(C)OC[C@@H](C)CO 34a_100000212225_100000059175 [0,2,0,0,0,0|0,0,2]=4 3785 B8R0.9 CC(C)SC[C@@H](C)CO 62a_100000059175_100000210206 [0,2,0,0,0,0|0,0,2]=4 3786 B8R0.9 CC(C)SC[C@@H](C)CO 62a_100000210206_100000059175 [0,2,0,0,0,0|0,0,2]=4 3787 B8R0.9 CC(CF)OC[C@@H](C)O 34a_100016041109_100009817552 [0,2,0,0,0,0|1,0,1]=4 3788 B8R0.9 CC(CF)OC[C@@H](C)O 7a_100016041109_100009817552 [0,2,0,0,0,0|1,0,1]=4 3789 B8R0.9 CC(CN)COC(C)C 34a_100000744482_100000210206 [0,2,0,0,0,0|1,0,1]=4 3790 B8R0.9 CC(CN)OC[C@@H](C)O 34a_100000210904_100009817552 [0,2,0,0,0,0|1,0,1]=4 3791 B8R0.9 CC(CO)CNC(C)C 34a_100000744482_100000210206 [0,2,0,0,0,0|0,0,2]=4 3792 B8R0.9 CC(CO)OC[C@@H](C)Cl 34a_100016084084_100012180447 [0,2,0,0,0,0|0,0,2]=4 3793 B8R0.9 CC(CO)OC[C@@H](C)N 34a_100000737577_100012180447 [0,2,0,0,0,0|0,0,2]=4 3794 B8R0.9 CC(CO)SC[C@@H](C)O 62a_100012180447_100009817552 [0,2,0,0,0,0|0,0,2]=4 3795 B8R0.9 CC(F)COC(C)CO 34a_100015925927_100012180447 [0,2,0,0,0,0|0,0,2]=4 3796 B8R0.9 CC(O)CNC(C)C#N 2230a_100000210904_100000184139 [0,2,0,0,0,0|1,0,1]=4 3797 B8R0.9 CC(O)CNC(C)C#N 2230a_100000737613_100011218427 [0,2,0,0,0,0|1,0,1]=4 3798 B8R0.9 CC(O)CNC(C)CO 2230a_100000210904_100012180447 [0,2,0,0,0,0|0,0,2]=4 3799 B8R0.9 CC(O)CNC(C)CO 34a_100000210904_100012180447 [0,2,0,0,0,0|0,0,2]=4 3800 B8R0.9 CC(O)CN[C@H](C)CO 2230a_100000737577_100011218427 [0,2,0,0,0,0|0,0,2]=4 3801 B8R0.9 CC(O)COC(C)C#N 34a_100011218135_100011218427 [0,2,0,0,0,0|1,0,1]=4 3802 B8R0.9 CC(O)COC(C)CF 34a_100016041109_100011218427 [0,2,0,0,0,0|1,0,1]=4 3803 B8R0.9 CC(O)COC(C)CF 7a_100016041109_100011218427 [0,2,0,0,0,0|1,0,1]=4 3804 B8R0.9 CC(O)COC(C)CN 34a_100000210904_100011218427 [0,2,0,0,0,0|1,0,1]=4 3805 B8R0.9 CC(O)CSC(C)C#N 62a_100000703298_100011218427 [0,2,0,0,0,0|1,0,1]=4 3806 B8R0.9 CC(O)CSC(C)C#N 62a_100011218427_100000703298 [0,2,0,0,0,0|1,0,1]=4 3807 B8R0.9 CC(O)CSC(C)CO 62a_100012180447_100011218427 [0,2,0,0,0,0|0,0,2]=4 3808 B8R0.9 CC(O)CS[C@H](C)CO 62a_100011218427_100016084084 [0,2,0,0,0,0|0,0,2]=4 3809 B8R0.9 CC(O)CS[C@H](C)CO 62a_100016084084_100011218427 [0,2,0,0,0,0|0,0,2]=4 3810 B8R0.9 CCC(C)CCC(=O)C 1458a_100000701222_200000210301 [0,2,0,0,0,0|1,0,1]=4 3811 B8R0.9 CCC(C)CCC(=O)[13CH3] 1458a_100000701222_200025704644 [0,2,0,0,0,0|1,0,1]=4 3812 B8R0.9 CCC(C)CNC(C)C 2230a_100020588543_100000210206 [0,2,0,0,0,0|1,0,1]=4 3813 B8R0.9 CCC(C)CNC(C)C 2230a_100138425928_100000748023 [0,2,0,0,0,0|1,0,1]=4 3814 B8R0.9 CCC(C)CNC(C)C 34a_100138425928_100000748023 [0,2,0,0,0,0|1,0,1]=4 3815 B8R0.9 CCC(C)COC(C)C 34a_100000212225_100000748023 [0,2,0,0,0,0|1,0,1]=4 3816 B8R0.9 CCC(C)CSC(C)C 62a_100000210206_100000748023 [0,2,0,0,0,0|1,0,1]=4 3817 B8R0.9 CCC(C)CSC(C)C 62a_100000748023_100000210206 [0,2,0,0,0,0|1,0,1]=4 3818 B8R0.9 CCC(C)NCC(C)C 2230a_100000209981_100000210760 [0,2,0,0,0,0|1,0,1]=4 3819 B8R0.9 CCC(C)NCC(C)C 2230a_100000210953_100000758301 [0,2,0,0,0,0|1,0,1]=4 3820 B8R0.9 CCC(C)NCC(C)C 270004a_100000209981_100000210432 [0,2,0,0,0,0|1,0,1]=4 3821 B8R0.9 CCC(C)NCC(C)C 34a_100000210953_100011215416 [0,2,0,0,0,0|1,0,1]=4 3822 B8R0.9 CCC(C)NCC(C)O 2230a_100000209981_100011218427 [0,2,0,0,0,0|1,0,1]=4 3823 B8R0.9 CCC(C)NCC(C)O 2230a_100000210904_100000758301 [0,2,0,0,0,0|1,0,1]=4 3824 B8R0.9 CCC(C)NCC(C)O 34a_100000210904_100011215416 [0,2,0,0,0,0|1,0,1]=4 3825 B8R0.9 CCC(C)NC[C@@H](C)O 2230a_100000209981_100009817552 [0,2,0,0,0,0|1,0,1]=4 3826 B8R0.9 CCC(C)OCC(C)Br 34a_100012180447_100011215416 [0,2,0,0,0,0|1,0,1]=4 3827 B8R0.9 CCC(C)OCC(C)C 34a_100000210257_100011215416 [0,2,0,0,0,0|1,0,1]=4 3828 B8R0.9 CCC(C)OCC(C)C 7a_100000210228_100000210760 [0,2,0,0,0,0|1,0,1]=4 3829 B8R0.9 CCC(C)OCC(C)F 34a_100015925927_100011215416 [0,2,0,0,0,0|1,0,1]=4 3830 B8R0.9 CCC(C)OCC(C)O 7a_100000210228_100011218427 [0,2,0,0,0,0|1,0,1]=4 3831 B8R0.9 CCC(C)OC[C@@H](C)Cl 34a_100016084084_100011215416 [0,2,0,0,0,0|1,0,1]=4 3832 B8R0.9 CCC(C)OC[C@@H](C)N 34a_100000737577_100011215416 [0,2,0,0,0,0|1,0,1]=4 3833 B8R0.9 CCC(C)OC[C@@H](C)O 7a_100000210228_100009817552 [0,2,0,0,0,0|1,0,1]=4 3834 B8R0.9 CCC(C)SCC(C)C 62a_100000210624_100000758301 [0,2,0,0,0,0|1,0,1]=4 3835 B8R0.9 CCC(C)SCC(C)C 62a_100000758301_100000210760 [0,2,0,0,0,0|1,0,1]=4 3836 B8R0.9 CCC(C)SCC(C)O 62a_100000758301_100011218427 [0,2,0,0,0,0|1,0,1]=4 3837 B8R0.9 CCC(C)SCC(C)O 62a_100011218427_100000758301 [0,2,0,0,0,0|1,0,1]=4 3838 B8R0.9 CCC(C)SC[C@@H](C)O 62a_100000758301_100009817552 [0,2,0,0,0,0|1,0,1]=4 3839 B8R0.9 CCC(C)SC[C@@H](C)O 62a_100009817552_100000758301 [0,2,0,0,0,0|1,0,1]=4 3840 B8R0.9 CC[C@H](C)CNC(C)C 2230a_100138425928_100009816398 [0,2,0,0,0,0|1,0,1]=4 3841 B8R0.9 CC[C@H](C)CNC(C)C 34a_100138425928_100009816398 [0,2,0,0,0,0|1,0,1]=4 3842 B8R0.9 CC[C@H](C)COC(C)C 34a_100000212225_100009816398 [0,2,0,0,0,0|1,0,1]=4 3843 B8R0.9 CC[C@H](C)COC(C)C 7a_100009816381_100000210206 [0,2,0,0,0,0|1,0,1]=4 3844 B8R0.9 CC[C@H](C)CSC(C)C 62a_100000210206_100009816398 [0,2,0,0,0,0|1,0,1]=4 3845 B8R0.9 CC[C@H](C)CSC(C)C 62a_100009816398_100000210206 [0,2,0,0,0,0|1,0,1]=4 3846 B8R0.9 CNC(C)CCC(C)C 2230a_100138410893_200000210301 [0,2,0,0,0,0|2,0,0]=4 3847 B8R0.9 CNC(C)CCC(C)C 2230a_106832991635_100011261404 [0,2,0,0,0,0|2,0,0]=4 3848 B8R0.9 CNC(C)CCC(C)C 270004a_106832991635_100000210476 [0,2,0,0,0,0|2,0,0]=4 3849 B8R0.9 CNC(C)CCC(C)C 34a_100102657272_100011261404 [0,2,0,0,0,0|2,0,0]=4 3850 B8R0.9 COC(C)CCC(C)C 34a_100011215350_200000210301 [0,2,0,0,0,0|2,0,0]=4 3851 B8R0.9 COC(C)CCC(C)C 34a_100138415774_100011261404 [0,2,0,0,0,0|2,0,0]=4 3852 B8R0.9 COC(C)CCC(C)C 7a_100011215350_200000210301 [0,2,0,0,0,0|2,0,0]=4 3853 B8R0.9 COC(C)COC(C)C 34a_100000690652_100000210206 [0,2,0,0,0,0|2,0,0]=4 3854 B8R0.9 COC(C)SCC(C)C 62a_100000210624_100009879195 [0,2,0,0,0,0|2,0,0]=4 3855 B8R0.9 COC(C)SCC(C)C 62a_100009879195_100000210760 [0,2,0,0,0,0|2,0,0]=4 3856 B8R0.9 COC(C)SCC(C)O 62a_100009879195_100011218427 [0,2,0,0,0,0|2,0,0]=4 3857 B8R0.9 COC(C)SCC(C)O 62a_100011218427_100009879195 [0,2,0,0,0,0|2,0,0]=4 3858 B8R0.9 COC(C)SC[C@@H](C)O 62a_100009817552_100009879195 [0,2,0,0,0,0|2,0,0]=4 3859 B8R0.9 COC(C)SC[C@@H](C)O 62a_100009879195_100009817552 [0,2,0,0,0,0|2,0,0]=4 3860 B8R0.9 CO[C@H](C)CNC(C)C 2230a_100020591295_100000210206 [0,2,0,0,0,0|2,0,0]=4 3861 B8R0.9 CSC(C)CCC(C)C 62a_100011261404_200000210301 [0,2,0,0,0,0|2,0,0]=4 3862 B8R0.9 CSC(C)CCC(C)C 62a_200000210301_100011261404 [0,2,0,0,0,0|2,0,0]=4 3863 B8R0.9 C[C@H](CO)NC[C@@H](C)O 2230a_100000737577_100009817552 [0,2,0,0,0,0|0,0,2]=4 3864 B8R0.9 C[C@H](CO)SC[C@@H](C)O 62a_100009817552_100016084084 [0,2,0,0,0,0|0,0,2]=4 3865 B8R0.9 C[C@H](CO)SC[C@@H](C)O 62a_100016084084_100009817552 [0,2,0,0,0,0|0,0,2]=4 3866 B8R0.11 C#CC(CC)OCCC 34a_100000758843_100000210303 [0,2,0,0,0,0|1,0,1]=4 3867 B8R0.11 C#CC(CC)OCCC 7a_100000758843_100000210303 [0,2,0,0,0,0|1,0,1]=4 3868 B8R0.11 C#CC(CCCC)OC 34a_200011217967_200000210301 [0,2,0,0,0,0|1,0,1]=4 3869 B8R0.11 C#CC(CCCC)OC 7a_200011217967_200000210301 [0,2,0,0,0,0|1,0,1]=4 3870 B8R0.11 C#CC(CCCC)O[13CH3] 34a_200011217967_200025704644 [0,2,0,0,0,0|1,0,1]=4 3871 B8R0.11 C#CC(CCCC)O[13CH3] 7a_200011217967_200025704644 [0,2,0,0,0,0|1,0,1]=4 3872 B8R0.11 C=CC(C=C)OCCC 34a_100000033096_100000210303 [0,2,0,0,0,0|1,0,1]=4 3873 B8R0.11 C=CC(CC)OCCC 34a_100000766422_100000210303 [0,2,0,0,0,0|1,0,0]=3 3874 B8R0.11 C=CC(CC)OCCC 7a_100000766422_100000210303 [0,2,0,0,0,0|1,0,0]=3 3875 B8R0.11 C=CC(CC)OCCF 34a_100000766422_100011217306 [0,2,0,0,0,0|2,0,0]=4 3876 B8R0.11 C=CC(CC)OCCF 7a_100000766422_100011217306 [0,2,0,0,0,0|2,0,0]=4 3877 B8R0.11 C=CC(CC)OCCO 34a_100000766422_100000211926 [0,2,0,0,0,0|2,0,0]=4 3878 B8R0.11 C=CC(CC)OCCO 7a_100000766422_100000211926 [0,2,0,0,0,0|2,0,0]=4 3879 B8R0.11 C=CC(CC)OCSC 34a_100000766422_100011218213 [0,2,0,0,0,0|2,0,0]=4 3880 B8R0.11 C=CC(CCCC)OC 34a_200011215037_200000210301 [0,2,0,0,0,0|1,0,0]=3 3881 B8R0.11 C=CC(CCCC)OC 7a_200011215037_200000210301 [0,2,0,0,0,0|1,0,0]=3 3882 B8R0.11 C=CC(CCCC)O[13CH3] 34a_200011215037_200025704644 [0,2,0,0,0,0|1,0,0]=3 3883 B8R0.11 C=CC(CCCC)O[13CH3] 7a_200011215037_200025704644 [0,2,0,0,0,0|1,0,0]=3 3884 B8R0.11 C=C[C@@H](CO)NCCC 2230a_100016989147_100000210303 [0,2,0,0,0,0|1,0,0]=3 3885 B8R0.11 C=C[C@@H](CO)NCCC 34a_100016989147_100000210303 [0,2,0,0,0,0|1,0,0]=3 3886 B8R0.11 C=C[C@@H](CO)NCCF 2230a_100016989147_100011217306 [0,2,0,0,0,0|2,0,0]=4 3887 B8R0.11 C=C[C@@H](CO)NCCF 34a_100016989147_100011217306 [0,2,0,0,0,0|2,0,0]=4 3888 B8R0.11 C=C[C@@H](CO)NCCO 2230a_100016989147_100000211926 [0,2,0,0,0,0|2,0,0]=4 3889 B8R0.11 C=C[C@@H](CO)NCCO 34a_100016989147_100000211926 [0,2,0,0,0,0|2,0,0]=4 3890 B8R0.11 C=C[C@@H](CO)NCOC 2230a_100016989147_100000766300 [0,2,0,0,0,0|2,0,0]=4 3891 B8R0.11 C=C[C@@H](CO)NCSC 2230a_100016989147_100011218213 [0,2,0,0,0,0|2,0,0]=4 3892 B8R0.11 C=C[C@@H](CO)NCSC 34a_100016989147_100011218213 [0,2,0,0,0,0|2,0,0]=4 3893 B8R0.11 CCCCC(CC)NC 270004a_106832991635_100000753412 [0,2,0,0,0,0|1,0,1]=4 3894 B8R0.11 CCCCC(CC)NC 34a_100102657272_200011216223 [0,2,0,0,0,0|1,0,1]=4 3895 B8R0.11 CCCCC(CC)NC 7a_106832991635_200011216223 [0,2,0,0,0,0|1,0,1]=4 3896 B8R0.11 CCCCC(CC)OC 34a_100011215227_200000210301 [0,2,0,0,0,0|1,0,1]=4 3897 B8R0.11 CCCCC(CC)OC 34a_100138415774_200011216223 [0,2,0,0,0,0|1,0,1]=4 3898 B8R0.11 CCCCC(CC)OC 7a_100011215227_200000210301 [0,2,0,0,0,0|1,0,1]=4 3899 B8R0.11 CCCCC(CC)O[13CH3] 34a_100011215227_200025704644 [0,2,0,0,0,0|1,0,1]=4 3900 B8R0.11 CCCCC(CC)O[13CH3] 7a_100011215227_200025704644 [0,2,0,0,0,0|1,0,1]=4 3901 B8R0.11 CCCCC(CC)SC 62a_200000210301_200011216223 [0,2,0,0,0,0|1,0,1]=4 3902 B8R0.11 CCCCC(CC)SC 62a_200011216223_200000210301 [0,2,0,0,0,0|1,0,1]=4 3903 B8R0.11 CCCCC(CC)S[13CH3] 62a_200011216223_200025704644 [0,2,0,0,0,0|1,0,1]=4 3904 B8R0.11 CCCCC(CC)S[13CH3] 62a_200025704644_200011216223 [0,2,0,0,0,0|1,0,1]=4 3905 B8R0.11 CCCC[C@@H](CO)NC 2230a_100011934283_200000210301 [0,2,0,0,0,0|0,0,2]=4 3906 B8R0.11 CCCC[C@@H](CO)NC 34a_100011934283_200000210301 [0,2,0,0,0,0|0,0,2]=4 3907 B8R0.11 CCCC[C@@H](CO)N[13CH3] 2230a_100011934283_200025704644 [0,2,0,0,0,0|0,0,2]=4 3908 B8R0.11 CCCC[C@@H](CO)N[13CH3] 34a_100011934283_200025704644 [0,2,0,0,0,0|0,0,2]=4 3909 B8R0.11 CCCNC(CC)CC 2230a_100000199018_100000210303 [0,2,0,0,0,0|1,0,1]=4 3910 B8R0.11 CCCNC(CC)CC 270004a_100020643023_100000210860 [0,2,0,0,0,0|1,0,1]=4 3911 B8R0.11 CCCNC(CO)CO 2230a_100000759517_100000210303 [0,2,0,0,0,0|0,0,2]=4 3912 B8R0.11 CCCN[C@@H](CC)CO 2230a_100000709445_100000210303 [0,2,0,0,0,0|0,0,2]=4 3913 B8R0.11 CCCOC(C=O)C=O 34a_100000210258_100000736813 [0,2,0,0,0,0|0,0,1]=3 3914 B8R0.11 CCCOC(CC)CC 7a_100000688536_100000210303 [0,2,0,0,0,0|1,0,1]=4 3915 B8R0.11 CCCOC(CCl)CCl 7a_100000737055_100000210303 [0,2,0,0,0,0|1,0,1]=4 3916 B8R0.11 CCCOC(CF)CF 34a_100000032261_100000210303 [0,2,0,0,0,0|1,0,1]=4 3917 B8R0.11 CCCOC(CF)CF 7a_100000032261_100000210303 [0,2,0,0,0,0|1,0,1]=4 3918 B8R0.11 CCCOC(CN)CN 34a_100000031598_100000210303 [0,2,0,0,0,0|1,0,1]=4 3919 B8R0.11 CCCO[C@@H](CF)CCl 34a_100015614560_100000210303 [0,2,0,0,0,0|1,0,1]=4 3920 B8R0.11 CCCO[C@@H](CF)CCl 7a_100015614560_100000210303 [0,2,0,0,0,0|1,0,1]=4 3921 B8R0.11 CCCSC(C=O)C=O 62a_100000210303_100000736813 [0,2,0,0,0,0|0,0,1]=3 3922 B8R0.11 CCCSC(C=O)C=O 62a_100000736813_100000210303 [0,2,0,0,0,0|0,0,1]=3 3923 B8R0.11 CCCSC(CC)CC 62a_100000210303_100000210505 [0,2,0,0,0,0|1,0,1]=4 3924 B8R0.11 CCCSC(CC)CC 62a_100000210505_100000210303 [0,2,0,0,0,0|1,0,1]=4 3925 B8R0.11 CCNCC(CC)CC 2230a_100015525214_100011215472 [0,2,0,0,0,0|1,0,1]=4 3926 B8R0.11 CCNCC(CC)CC 2230a_100102946423_100000210202 [0,2,0,0,0,0|1,0,1]=4 3927 B8R0.11 CCNCC(CC)CC 269862a_100015525214_100000211137 [0,2,0,0,0,0|1,0,1]=4 3928 B8R0.11 CCNCC(CC)CC 270004a_100015525214_100000211137 [0,2,0,0,0,0|1,0,1]=4 3929 B8R0.11 CCNCC(OC)OC 2230a_100015525214_100000751394 [0,2,0,0,0,0|2,0,0]=4 3930 B8R0.11 CCNCC(OC)OC 270004a_100015525214_100000752162 [0,2,0,0,0,0|2,0,0]=4 3931 B8R0.11 CCOCC(CC)CC 34a_100121572206_100011215472 [0,2,0,0,0,0|1,0,1]=4 3932 B8R0.11 CCOCC(CC)CC 7a_100000703878_100000210202 [0,2,0,0,0,0|1,0,1]=4 3933 B8R0.11 CCOCC(CC)OC 34a_100011934954_100000210202 [0,2,0,0,0,0|1,0,1]=4 3934 B8R0.11 CCOCC(CC)OC 7a_100011934954_100000210202 [0,2,0,0,0,0|1,0,1]=4 3935 B8R0.11 CCOCC(CN)OC 34a_102515437182_200000210301 [0,2,0,0,0,0|1,0,1]=4 3936 B8R0.11 CCOCC(CN)O[13CH3] 34a_102515437182_200025704644 [0,2,0,0,0,0|1,0,1]=4 3937 B8R0.11 CCOCC(OC)OC 34a_100011216393_100000210202 [0,2,0,0,0,0|2,0,0]=4 3938 B8R0.11 CCOCC(OC)OC 34a_100121572206_100000211822 [0,2,0,0,0,0|2,0,0]=4 3939 B8R0.11 CCSCC(CC)CC 62a_100000210202_100011215472 [0,2,0,0,0,0|1,0,1]=4 3940 B8R0.11 CCSCC(CC)CC 62a_100011215472_100000210202 [0,2,0,0,0,0|1,0,1]=4 3941 B8R0.11 CCSCC(OC)OC 62a_100000210202_100000751394 [0,2,0,0,0,0|2,0,0]=4 3942 B8R0.11 CCSCC(OC)OC 62a_100000751394_100000210202 [0,2,0,0,0,0|2,0,0]=4 3943 B8R0.11 CNCCC(OC)OC 2230a_106832991635_100009813347 [0,2,0,0,0,0|2,0,0]=4 3944 B8R0.11 CNCCC(OC)OC 34a_100102657272_100000139399 [0,2,0,0,0,0|2,0,0]=4 3945 B8R0.11 CNCCC(OC)OC 7a_106832991635_100009813347 [0,2,0,0,0,0|2,0,0]=4 3946 B8R0.11 CN[C@H](CO)CCSC 2230a_100011827619_200000210301 [0,2,0,0,0,0|0,0,2]=4 3947 B8R0.11 COC(CCSC)OC 62a_100000139399_200000210301 [0,2,0,0,0,0|2,0,0]=4 3948 B8R0.11 COC(CCSC)OC 62a_200000210301_100000139399 [0,2,0,0,0,0|2,0,0]=4 3949 B8R0.11 COC(CCS[13CH3])OC 62a_100000139399_200025704644 [0,2,0,0,0,0|2,0,0]=4 3950 B8R0.11 COC(CCS[13CH3])OC 62a_200025704644_100000139399 [0,2,0,0,0,0|2,0,0]=4 3951 B8R0.11 COCCC(OC)OC 34a_100138415774_100000139399 [0,2,0,0,0,0|2,0,0]=4 3952 B8R0.11 COCSC(C=O)C=O 62a_100000736813_100000766300 [0,2,0,0,0,0|1,0,1]=4 3953 B8R0.11 COCSC(C=O)C=O 62a_100000766300_100000736813 [0,2,0,0,0,0|1,0,1]=4 3954 B8R0.11 CSCC[C@@H](CO)N[13CH3] 2230a_100011827619_200025704644 [0,2,0,0,0,0|0,0,2]=4 3955 B8R0.11 CSCSC(C=O)C=O 62a_100000736813_100011218213 [0,2,0,0,0,0|1,0,1]=4 3956 B8R0.11 CSCSC(C=O)C=O 62a_100011218213_100000736813 [0,2,0,0,0,0|1,0,1]=4 3957 B8R0.11 NCCOC(C=O)C=O 34a_100000210304_100000736813 [0,2,0,0,0,0|1,0,1]=4 3958 B8R0.11 O=CC(C=O)NCCF 34a_100000724931_100000736813 [0,2,0,0,0,0|1,0,1]=4 3959 B8R0.11 O=CC(C=O)NCCO 2230a_100016997473_100000736813 [0,2,0,0,0,0|1,0,1]=4 3960 B8R0.11 O=CC(C=O)NCCO 34a_100016990907_100000736813 [0,2,0,0,0,0|1,0,1]=4 3961 B8R0.11 O=CC(C=O)OCCBr 34a_100000211926_100000736813 [0,2,0,0,0,0|1,0,1]=4 3962 B8R0.11 O=CC(C=O)SCCF 62a_100000736813_100011217306 [0,2,0,0,0,0|1,0,1]=4 3963 B8R0.11 O=CC(C=O)SCCF 62a_100011217306_100000736813 [0,2,0,0,0,0|1,0,1]=4 3964 B8R0.11 O=CC(C=O)SCCO 62a_100000211926_100000736813 [0,2,0,0,0,0|1,0,1]=4 3965 B8R0.11 O=CC(C=O)SCCO 62a_100000736813_100000211926 [0,2,0,0,0,0|1,0,1]=4 3966 B8R0.25 C#CC(C)(C)NCCC 34a_100000054563_100000210303 [0,2,0,0,0,0|1,0,1]=4 3967 B8R0.25 C#CC(C)(C)OCCC 34a_100000189450_100000210303 [0,2,0,0,0,0|1,0,1]=4 3968 B8R0.25 C#CC(C)(C)OCCC 34a_100000210258_100000038118 [0,2,0,0,0,0|1,0,1]=4 3969 B8R0.25 C#CC(C)(C)OCCC 7a_100000189450_100000210303 [0,2,0,0,0,0|1,0,1]=4 3970 B8R0.25 C#CC(C)(C)SCCC 62a_100000038118_100000210303 [0,2,0,0,0,0|1,0,1]=4 3971 B8R0.25 C#CC(C)(C)SCCC 62a_100000210303_100000038118 [0,2,0,0,0,0|1,0,1]=4 3972 B8R0.25 C=CC(C)(C)OCCC 34a_100011215311_100000210303 [0,2,0,0,0,0|1,0,0]=3 3973 B8R0.25 C=CC(C)(C)OCCC 7a_100011215311_100000210303 [0,2,0,0,0,0|1,0,0]=3 3974 B8R0.25 C=CC(C)(C)OCCF 34a_100011215311_100011217306 [0,2,0,0,0,0|2,0,0]=4 3975 B8R0.25 C=CC(C)(C)OCCF 7a_100011215311_100011217306 [0,2,0,0,0,0|2,0,0]=4 3976 B8R0.25 C=CC(C)(C)OCCO 34a_100011215311_100000211926 [0,2,0,0,0,0|2,0,0]=4 3977 B8R0.25 C=CC(C)(C)OCCO 7a_100011215311_100000211926 [0,2,0,0,0,0|2,0,0]=4 3978 B8R0.25 C=CC(C)(C)OCSC 34a_100011215311_100011218213 [0,2,0,0,0,0|2,0,0]=4 3979 B8R0.25 C=CC(F)(F)SCCC 62a_100000210303_100009814244 [0,2,0,0,0,0|2,0,0]=4 3980 B8R0.25 C=CC(F)(F)SCCC 62a_100009814244_100000210303 [0,2,0,0,0,0|2,0,0]=4 3981 B8R0.25 C=C[Si](C)(C)CNCC 2230a_100015525214_100000038793 [0,2,0,0,0,0|1,1,0]=4 3982 B8R0.25 C=C[Si](C)(C)CSCC 62a_100000038793_100000210202 [0,2,0,0,0,0|1,1,0]=4 3983 B8R0.25 C=C[Si](C)(C)CSCC 62a_100000210202_100000038793 [0,2,0,0,0,0|1,1,0]=4 3984 B8R0.25 CC(C)(CCCBr)O[13CH3] 7a_100009888830_200025704644 [0,2,0,0,0,0|2,0,0]=4 3985 B8R0.25 CCCCC(C)(C)OC 7a_100011219641_200000210301 [0,2,0,0,0,0|2,0,0]=4 3986 B8R0.25 CCCCC(C)(C)O[13CH3] 7a_100011219641_200025704644 [0,2,0,0,0,0|2,0,0]=4 3987 B8R0.25 CCCNC(C)(C)CC 2230a_100000211385_100000210303 [0,2,0,0,0,0|1,0,1]=4 3988 B8R0.25 CCCNC(C)(C)CO 2230a_100000210608_100000210303 [0,2,0,0,0,0|0,0,2]=4 3989 B8R0.25 CCCOC(C)(C)C#N 34a_100000210258_100011162410 [0,2,0,0,0,0|1,0,1]=4 3990 B8R0.25 CCCOC(C)(C)C#N 34a_200015195151_100000210303 [0,2,0,0,0,0|1,0,1]=4 3991 B8R0.25 CCCOC(C)(C)CC 7a_100000210230_100000210303 [0,2,0,0,0,0|1,0,1]=4 3992 B8R0.25 CCCOC(C)(C)CCl 7a_100000764493_100000210303 [0,2,0,0,0,0|1,0,1]=4 3993 B8R0.25 CCCSC(C)(C)C#N 62a_100000210303_100011162410 [0,2,0,0,0,0|1,0,1]=4 3994 B8R0.25 CCCSC(C)(C)C#N 62a_100011162410_100000210303 [0,2,0,0,0,0|1,0,1]=4 3995 B8R0.25 CCCSC(C)(C)CC 62a_100000032637_100000210303 [0,2,0,0,0,0|1,0,1]=4 3996 B8R0.25 CCCSC(C)(C)CC 62a_100000210303_100000032637 [0,2,0,0,0,0|1,0,1]=4 3997 B8R0.25 CCNCC(C)(C)CO 2230a_100020635058_100000210202 [0,2,0,0,0,0|0,0,2]=4 3998 B8R0.25 CCNCC(C)(C)OC 2230a_100000763424_100000210202 [0,2,0,0,0,0|2,0,0]=4 3999 B8R0.25 CCNCC(C)(C)SC 270004a_100015525214_100009845794 [0,2,0,0,0,0|2,0,0]=4 4000 B8R0.25 CCOCC(C)(C)CC 7a_100000765029_100000210202 [0,2,0,0,0,0|1,0,1]=4 4001 B8R0.25 CCOCC(C)(C)CCl 7a_100011217199_100000210202 [0,2,0,0,0,0|1,0,1]=4 4002 B8R0.25 CCOCC(C)(C)CO 34a_100121572206_100009813988 [0,2,0,0,0,0|0,0,2]=4 4003 B8R0.25 CCOCC(C)(C)OC 34a_100121572206_100000701081 [0,2,0,0,0,0|2,0,0]=4 4004 B8R0.25 CCSCC(C)(C)CO 62a_100000210202_100009813988 [0,2,0,0,0,0|0,0,2]=4 4005 B8R0.25 CCSCC(C)(C)CO 62a_100009813988_100000210202 [0,2,0,0,0,0|0,0,2]=4 4006 B8R0.25 CCSCC(C)(C)OC 62a_100000210202_100000701081 [0,2,0,0,0,0|2,0,0]=4 4007 B8R0.25 CCSCC(C)(C)OC 62a_100000701081_100000210202 [0,2,0,0,0,0|2,0,0]=4 4008 B8R0.25 COC(C)(C)CCCBr 7a_100009888830_200000210301 [0,2,0,0,0,0|2,0,0]=4 4009 B8R0.25 COC(C)(C)CCO[13CH3] 7a_100000699976_200025704644 [0,2,0,0,0,0|2,0,0]=4 4010 B8R0.25 COCCC(C)(C)OC 7a_100000699976_200000210301 [0,2,0,0,0,0|2,0,0]=4 4011 B8R0.12 C=CCC(C)(C)C(=O)C 1458a_100000705796_200000210301 [0,2,0,0,0,0|0,0,2]=4 4012 B8R0.12 C=CCC(C)(C)C(=O)[13CH3] 1458a_100000705796_200025704644 [0,2,0,0,0,0|0,0,2]=4 4013 B8R0.12 CC(=O)C(C)(C)OCF 34a_100000747739_100015361967 [0,2,0,0,0,0|2,0,0]=4 4014 B8R0.12 CC(=O)C(C)(C)OCF 7a_100000747739_100015361967 [0,2,0,0,0,0|2,0,0]=4 4015 B8R0.12 CC(=O)C(C)(C)SCF 62a_100000075568_100015361967 [0,2,0,0,0,0|2,0,0]=4 4016 B8R0.12 CC(=O)C(C)(C)SCF 62a_100015361967_100000075568 [0,2,0,0,0,0|2,0,0]=4 4017 B8R0.12 CC(C)(CN[13CH3])C(=O)N 2230a_100000740840_200025704644 [0,2,0,0,0,0|1,0,0]=3 4018 B8R0.12 CC(C)(CN[13CH3])C(=O)N 34a_100000740840_200025704644 [0,2,0,0,0,0|1,0,0]=3 4019 B8R0.12 CC(C)(CN[13CH3])C(=O)O 269956a_100000693527_200025704644 [0,2,0,0,0,0|1,0,0]=3 4020 B8R0.12 CC(C)(CO[13CH3])[N+](=O)[O-] 34a_100000032158_200025704644 [0,2,0,0,0,0|2,0,0]=4 4021 B8R0.12 CC(C)(CO[13CH3])[N+](=O)[O-] 7a_100000032158_200025704644 [0,2,0,0,0,0|2,0,0]=4 4022 B8R0.12 CC(C)(CS[13CH3])C(=O)N 62a_200009895572_200025704644 [0,2,0,0,0,0|1,0,0]=3 4023 B8R0.12 CC(C)(CS[13CH3])C(=O)N 62a_200025704644_200009895572 [0,2,0,0,0,0|1,0,0]=3 4024 B8R0.12 CC(C)(NCF)C(=O)N 34a_100000743658_100015361967 [0,2,0,0,0,0|2,0,0]=4 4025 B8R0.12 CC(C)(OCF)C(=O)N 34a_100011626353_100015361967 [0,2,0,0,0,0|2,0,0]=4 4026 B8R0.12 CC(C)(OCF)C(=O)N 7a_100011626353_100015361967 [0,2,0,0,0,0|2,0,0]=4 4027 B8R0.12 CC(C)(ON[13CH3])C(=O)O 269956a_100016989451_200025704644 [0,2,0,0,0,0|2,0,0]=4 4028 B8R0.12 CC(C)(SCF)C(=O)N 62a_100000702505_100015361967 [0,2,0,0,0,0|2,0,0]=4 4029 B8R0.12 CC(C)(SCF)C(=O)N 62a_100015361967_100000702505 [0,2,0,0,0,0|2,0,0]=4 4030 B8R0.12 CCCC(C)(C)C(=O)C 1458a_100011215034_200000210301 [0,2,0,0,0,0|0,0,0]=2 4031 B8R0.12 CCCC(C)(C)C(=O)[13CH3] 1458a_100011215034_200025704644 [0,2,0,0,0,0|0,0,0]=2 4032 B8R0.12 CCNC(C)(C)C(=O)N 2230a_100000743658_100000210202 [0,2,0,0,0,0|1,0,0]=3 4033 B8R0.12 CCNC(C)(C)C(=O)N 2230a_100015525214_100000702505 [0,2,0,0,0,0|1,0,0]=3 4034 B8R0.12 CCNC(C)(C)C(=O)N 34a_100000743658_100000210202 [0,2,0,0,0,0|1,0,0]=3 4035 B8R0.12 CCOC(C)(C)C(=O)C 1458a_100011458965_200000210301 [0,2,0,0,0,0|1,0,0]=3 4036 B8R0.12 CCOC(C)(C)C(=O)C 34a_100000747739_100000210202 [0,2,0,0,0,0|1,0,0]=3 4037 B8R0.12 CCOC(C)(C)C(=O)C 7a_100000747739_100000210202 [0,2,0,0,0,0|1,0,0]=3 4038 B8R0.12 CCOC(C)(C)C(=O)N 34a_100011626353_100000210202 [0,2,0,0,0,0|1,0,0]=3 4039 B8R0.12 CCOC(C)(C)C(=O)N 34a_100121572206_100000702505 [0,2,0,0,0,0|1,0,0]=3 4040 B8R0.12 CCOC(C)(C)C(=O)N 7a_100011626353_100000210202 [0,2,0,0,0,0|1,0,0]=3 4041 B8R0.12 CCOC(C)(C)C(=O)[13CH3] 1458a_100011458965_200025704644 [0,2,0,0,0,0|1,0,0]=3 4042 B8R0.12 CCOC(F)(F)C(=O)[O-] 34a_100121572206_100020612412 [0,2,0,0,0,0|2,0,0]=4 4043 B8R0.12 CCSC(C)(C)C(=O)C 62a_100000075568_100000210202 [0,2,0,0,0,0|1,0,0]=3 4044 B8R0.12 CCSC(C)(C)C(=O)C 62a_100000210202_100000075568 [0,2,0,0,0,0|1,0,0]=3 4045 B8R0.12 CCSC(C)(C)C(=O)N 62a_100000210202_100000702505 [0,2,0,0,0,0|1,0,0]=3 4046 B8R0.12 CCSC(C)(C)C(=O)N 62a_100000702505_100000210202 [0,2,0,0,0,0|1,0,0]=3 4047 B8R0.12 CCSC(C)(C)[N+](=O)[O-] 62a_100000210202_200009813997 [0,2,0,0,0,0|2,0,0]=4 4048 B8R0.12 CCSC(C)(C)[N+](=O)[O-] 62a_200009813997_100000210202 [0,2,0,0,0,0|2,0,0]=4 4049 B8R0.12 CCSC(F)(F)C(=O)N 62a_100000210202_100009811971 [0,2,0,0,0,0|2,0,0]=4 4050 B8R0.12 CCSC(F)(F)C(=O)N 62a_100009811971_100000210202 [0,2,0,0,0,0|2,0,0]=4 4051 B8R0.12 CCSC(F)(F)C(=O)[O-] 62a_100000210202_100000745680 [0,2,0,0,0,0|2,0,0]=4 4052 B8R0.12 CCSC(F)(F)C(=O)[O-] 62a_100000745680_100000210202 [0,2,0,0,0,0|2,0,0]=4 4053 B8R0.12 CNCC(C)(C)C(=O)N 2230a_100000740840_200000210301 [0,2,0,0,0,0|1,0,0]=3 4054 B8R0.12 CNCC(C)(C)C(=O)N 34a_100000740840_200000210301 [0,2,0,0,0,0|1,0,0]=3 4055 B8R0.12 CNCC(C)(C)C(=O)N 34a_100102657272_200009895572 [0,2,0,0,0,0|1,0,0]=3 4056 B8R0.12 CNCC(C)(C)C(=O)O 269956a_100000693527_200000210301 [0,2,0,0,0,0|1,0,0]=3 4057 B8R0.12 CNCC(F)(F)C(=O)O 269956a_100000734215_200000210301 [0,2,0,0,0,0|2,0,0]=4 4058 B8R0.12 CNOC(C)(C)C(=O)O 269956a_100016989451_200000210301 [0,2,0,0,0,0|2,0,0]=4 4059 B8R0.12 COCC(C)(C)C(=O)N 34a_100138415774_200009895572 [0,2,0,0,0,0|1,0,0]=3 4060 B8R0.12 COCC(C)(C)[N+](=O)[O-] 34a_100000032158_200000210301 [0,2,0,0,0,0|2,0,0]=4 4061 B8R0.12 COCC(C)(C)[N+](=O)[O-] 7a_100000032158_200000210301 [0,2,0,0,0,0|2,0,0]=4 4062 B8R0.12 CSCC(C)(C)C(=O)N 62a_200000210301_200009895572 [0,2,0,0,0,0|1,0,0]=3 4063 B8R0.12 CSCC(C)(C)C(=O)N 62a_200009895572_200000210301 [0,2,0,0,0,0|1,0,0]=3 4064 B8R0.12 [13CH3]NCC(F)(F)C(=O)O 269956a_100000734215_200025704644 [0,2,0,0,0,0|2,0,0]=4 4065 B8R0.14 CCCN(C)S(=O)(=O)C 40a_100000747261_100000738038 [0,2,0,0,0,0|2,0,0]=4 4066 B8R0.15 C=CC(OCC)C(C)C 34a_100000732651_100000210202 [0,2,0,0,0,0|2,0,0]=4 4067 B8R0.15 C=CC(OCC)C(C)C 7a_100000732651_100000210202 [0,2,0,0,0,0|2,0,0]=4 4068 B8R0.15 C=C[C@H](NCC)C(=O)O 269956a_100016992060_100000210202 [0,2,0,0,0,0|1,0,1]=4 4069 B8R0.15 CCC(NCF)C(=O)N 34a_100000733705_100015361967 [0,2,0,0,0,0|2,0,0]=4 4070 B8R0.15 CCC(SCF)C(=O)N 62a_100000750255_100015361967 [0,2,0,0,0,0|2,0,0]=4 4071 B8R0.15 CCC(SCF)C(=O)N 62a_100015361967_100000750255 [0,2,0,0,0,0|2,0,0]=4 4072 B8R0.15 CCCC(C#N)N(C)C 2230a_100000727963_200000210301 [0,2,0,0,0,0|1,0,1]=4 4073 B8R0.15 CCCC(C#N)N(C)[13CH3] 2230a_100000727963_200025704644 [0,2,0,0,0,0|1,0,1]=4 4074 B8R0.15 CCCC(CC)C(=O)C 1458a_100000070787_100011219200 [0,2,0,0,0,0|0,0,0]=2 4075 B8R0.15 CCCC(CC)C(=O)C 1458a_100011416436_200000210301 [0,2,0,0,0,0|0,0,0]=2 4076 B8R0.15 CCCC(CC)C(=O)[13CH3] 1458a_100011416436_200025704644 [0,2,0,0,0,0|0,0,0]=2 4077 B8R0.15 CCCC(CC)N(C)C 269982a_100102631434_100011219200 [0,2,0,0,0,0|1,0,1]=4 4078 B8R0.15 CCCC(CC)N(C)C 270004a_100102631434_100000687865 [0,2,0,0,0,0|1,0,1]=4 4079 B8R0.15 CCCC(OC)C(=O)N 34a_100011626294_200000210301 [0,2,0,0,0,0|0,0,0]=2 4080 B8R0.15 CCCC(OC)C(=O)N 7a_100011626294_200000210301 [0,2,0,0,0,0|0,0,0]=2 4081 B8R0.15 CCCC(OC)C(C)C 34a_200011215069_200000210301 [0,2,0,0,0,0|1,0,1]=4 4082 B8R0.15 CCCC(OC)C(C)C 7a_200011215069_200000210301 [0,2,0,0,0,0|1,0,1]=4 4083 B8R0.15 CCCC(O[13CH3])C(=O)N 34a_100011626294_200025704644 [0,2,0,0,0,0|0,0,0]=2 4084 B8R0.15 CCCC(O[13CH3])C(=O)N 7a_100011626294_200025704644 [0,2,0,0,0,0|0,0,0]=2 4085 B8R0.15 CCCC(O[13CH3])C(C)C 34a_200011215069_200025704644 [0,2,0,0,0,0|1,0,1]=4 4086 B8R0.15 CCCC(O[13CH3])C(C)C 7a_200011215069_200025704644 [0,2,0,0,0,0|1,0,1]=4 4087 B8R0.15 CCCN(CC)C(=O)C 11a_100000226822_100015343762 [0,2,0,0,0,0|1,0,0]=3 4088 B8R0.15 CCCN(CC)C(=O)C 1626a_100000226822_100015343762 [0,2,0,0,0,0|1,0,0]=3 4089 B8R0.15 CCCN(CC)C(=O)C 240690a_100000226822_100015343762 [0,2,0,0,0,0|1,0,0]=3 4090 B8R0.15 CCCN(CC)C(=O)C 527a_100000226822_100103153847 [0,2,0,0,0,0|1,0,0]=3 4091 B8R0.15 CCC[C@H](NC)C(=O)N 2230a_100000729256_200000210301 [0,2,0,0,0,0|0,0,0]=2 4092 B8R0.15 CCC[C@H](NC)C(=O)N 34a_100000729256_200000210301 [0,2,0,0,0,0|0,0,0]=2 4093 B8R0.15 CCC[C@H](NC)C(=O)O 269956a_100000750406_200000210301 [0,2,0,0,0,0|0,0,0]=2 4094 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 2230a_100000729256_200025704644 [0,2,0,0,0,0|0,0,0]=2 4095 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 34a_100000729256_200025704644 [0,2,0,0,0,0|0,0,0]=2 4096 B8R0.15 CCC[C@H](N[13CH3])C(=O)O 269956a_100000750406_200025704644 [0,2,0,0,0,0|0,0,0]=2 4097 B8R0.15 CCN(CCO)C(=O)C 240690a_100000210973_100015343762 [0,2,0,0,0,0|2,0,0]=4 4098 B8R0.15 CCN(CCO)C(=O)C 527a_100000210973_100103153847 [0,2,0,0,0,0|2,0,0]=4 4099 B8R0.15 CCNC(C#N)C(=O)N 2230a_100000039599_100000210202 [0,2,0,0,0,0|1,0,1]=4 4100 B8R0.15 CCNC(CC)C(=O)N 2230a_100000733705_100000210202 [0,2,0,0,0,0|1,0,0]=3 4101 B8R0.15 CCNC(CC)C(=O)N 2230a_100015525214_100000750255 [0,2,0,0,0,0|1,0,0]=3 4102 B8R0.15 CCNC(CC)C(=O)N 34a_100000733705_100000210202 [0,2,0,0,0,0|1,0,0]=3 4103 B8R0.15 CCNC(CO)C(=O)O 269956a_100000187304_100000210202 [0,2,0,0,0,0|1,0,0]=3 4104 B8R0.15 CCN[C@@H](CO)C(=O)N 2230a_100000729942_100000210202 [0,2,0,0,0,0|1,0,0]=3 4105 B8R0.15 CCN[C@@H](CO)C(=O)N 34a_100000729942_100000210202 [0,2,0,0,0,0|1,0,0]=3 4106 B8R0.15 CCN[C@H](CC)C(=O)O 269956a_100000747097_100000210202 [0,2,0,0,0,0|1,0,0]=3 4107 B8R0.15 CCOC(CC)C(=O)N 34a_100121572206_100000750255 [0,2,0,0,0,0|1,0,0]=3 4108 B8R0.15 CCSC(CC)C(=O)N 62a_100000210202_100000750255 [0,2,0,0,0,0|1,0,0]=3 4109 B8R0.15 CCSC(CC)C(=O)N 62a_100000750255_100000210202 [0,2,0,0,0,0|1,0,0]=3 4110 B8R0.15 CC[C@@H](NCF)C(=O)O 269956a_100000747097_100015361967 [0,2,0,0,0,0|2,0,0]=4 4111 B8R0.15 CN[C@@H](CSC)C(=O)O 269956a_100011421858_200000210301 [0,2,0,0,0,0|1,0,0]=3 4112 B8R0.15 CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_200000210301 [0,2,0,0,0,0|1,0,0]=3 4113 B8R0.15 CN[C@H](COC)C(=O)O 269956a_100011998655_200000210301 [0,2,0,0,0,0|1,0,0]=3 4114 B8R0.15 COC[C@@H](N[13CH3])C(=O)O 269956a_100011998655_200025704644 [0,2,0,0,0,0|1,0,0]=3 4115 B8R0.15 CSC[C@H](N[13CH3])C(=O)O 269956a_100011421858_200025704644 [0,2,0,0,0,0|1,0,0]=3 4116 B8R0.15 C[Se]C[C@H](N[13CH3])C(=O)O 269956a_100015254316_200025704644 [0,2,0,0,0,0|1,0,0]=3 4117 B8R0.15 NC(=O)[C@H](CO)NCF 34a_100000729942_100015361967 [0,2,0,0,0,0|2,0,0]=4 4118 B8R0.15 O=C(O)C(CO)NCF 269956a_100000187304_100015361967 [0,2,0,0,0,0|2,0,0]=4 4119 B8R0.22 C#CC(CCC)OCC 34a_200011217317_100000210202 [0,2,0,0,0,0|1,0,1]=4 4120 B8R0.22 C#CC(CCC)OCC 7a_200011217317_100000210202 [0,2,0,0,0,0|1,0,1]=4 4121 B8R0.22 C#CC(CCC)OCF 34a_200011217317_100015361967 [0,2,0,0,0,0|1,0,1]=4 4122 B8R0.22 C#CC(CCC)OCF 7a_200011217317_100015361967 [0,2,0,0,0,0|1,0,1]=4 4123 B8R0.22 C/C=C/C(CCC)OC 34a_200016264281_200000210301 [0,2,0,0,0,0|1,0,0]=3 4124 B8R0.22 C/C=C/C(CCC)OC 7a_200016264281_200000210301 [0,2,0,0,0,0|1,0,0]=3 4125 B8R0.22 C/C=C/C(CCC)O[13CH3] 34a_200016264281_200025704644 [0,2,0,0,0,0|1,0,0]=3 4126 B8R0.22 C/C=C/C(CCC)O[13CH3] 7a_200016264281_200025704644 [0,2,0,0,0,0|1,0,0]=3 4127 B8R0.22 C=CC(CCC)OCC 34a_100011216692_100000210202 [0,2,0,0,0,0|1,0,0]=3 4128 B8R0.22 C=CC(CCC)OCC 7a_100011216692_100000210202 [0,2,0,0,0,0|1,0,0]=3 4129 B8R0.22 C=CC(CCC)OCF 34a_100011216692_100015361967 [0,2,0,0,0,0|1,0,0]=3 4130 B8R0.22 C=CC(CCC)OCF 7a_100011216692_100015361967 [0,2,0,0,0,0|1,0,0]=3 4131 B8R0.22 C=CCC(C=C)OCC 34a_100000038011_100000210202 [0,2,0,0,0,0|2,0,0]=4 4132 B8R0.22 C=CCC(C=C)OCC 7a_100000038011_100000210202 [0,2,0,0,0,0|2,0,0]=4 4133 B8R0.22 C=CCC(CCC)OC 34a_100011215139_200000210301 [0,2,0,0,0,0|1,0,0]=3 4134 B8R0.22 C=CCC(CCC)OC 7a_100011215139_200000210301 [0,2,0,0,0,0|1,0,0]=3 4135 B8R0.22 C=CCC(CCC)O[13CH3] 34a_100011215139_200025704644 [0,2,0,0,0,0|1,0,0]=3 4136 B8R0.22 C=CCC(CCC)O[13CH3] 7a_100011215139_200025704644 [0,2,0,0,0,0|1,0,0]=3 4137 B8R0.22 C=CCN(CC)CCC 2230a_100000226822_100000210623 [0,2,0,0,0,0|2,0,0]=4 4138 B8R0.22 C=CCN(CC)CCC 269982a_100000226822_100000210623 [0,2,0,0,0,0|2,0,0]=4 4139 B8R0.22 C=CC[C@H](CO)NCC 2230a_100020615467_100000210202 [0,2,0,0,0,0|2,0,0]=4 4140 B8R0.22 CCCC(C#N)OCC 34a_100000686963_100000210202 [0,2,0,0,0,0|1,0,1]=4 4141 B8R0.22 CCCC(C#N)OCC 7a_100000686963_100000210202 [0,2,0,0,0,0|1,0,1]=4 4142 B8R0.22 CCCC(C#N)OCF 34a_100000686963_100015361967 [0,2,0,0,0,0|1,0,1]=4 4143 B8R0.22 CCCC(C#N)OCF 7a_100000686963_100015361967 [0,2,0,0,0,0|1,0,1]=4 4144 B8R0.22 CCCC(CC)NCC 2230a_100000747048_100000210202 [0,2,0,0,0,0|1,0,1]=4 4145 B8R0.22 CCCC(CC)NCC 270004a_100015525214_100000687865 [0,2,0,0,0,0|1,0,1]=4 4146 B8R0.22 CCCC(CC)OCC 34a_100000687864_100000210202 [0,2,0,0,0,0|1,0,1]=4 4147 B8R0.22 CCCC(CC)OCC 7a_100000687864_100000210202 [0,2,0,0,0,0|1,0,1]=4 4148 B8R0.22 CCCC(CC)OCF 34a_100000687864_100015361967 [0,2,0,0,0,0|1,0,1]=4 4149 B8R0.22 CCCC(CC)OCF 7a_100000687864_100015361967 [0,2,0,0,0,0|1,0,1]=4 4150 B8R0.22 CCCC(CC)SCC 62a_100000210202_100011219200 [0,2,0,0,0,0|1,0,1]=4 4151 B8R0.22 CCCC(CC)SCC 62a_100011219200_100000210202 [0,2,0,0,0,0|1,0,1]=4 4152 B8R0.22 CCCC(CC)SCF 62a_100011219200_100015361967 [0,2,0,0,0,0|1,0,1]=4 4153 B8R0.22 CCCC(CC)SCF 62a_100015361967_100011219200 [0,2,0,0,0,0|1,0,1]=4 4154 B8R0.22 CCCC(CCC)NC 2230a_100011207992_200000210301 [0,2,0,0,0,0|1,0,1]=4 4155 B8R0.22 CCCC(CCC)NC 270004a_106832991635_100000210088 [0,2,0,0,0,0|1,0,1]=4 4156 B8R0.22 CCCC(CCC)NC 34a_100011207992_200000210301 [0,2,0,0,0,0|1,0,1]=4 4157 B8R0.22 CCCC(CCC)NC 34a_100102657272_200011218217 [0,2,0,0,0,0|1,0,1]=4 4158 B8R0.22 CCCC(CCC)NC 7a_106832991635_200011218217 [0,2,0,0,0,0|1,0,1]=4 4159 B8R0.22 CCCC(CCC)N[13CH3] 2230a_100011207992_200025704644 [0,2,0,0,0,0|1,0,1]=4 4160 B8R0.22 CCCC(CCC)N[13CH3] 34a_100011207992_200025704644 [0,2,0,0,0,0|1,0,1]=4 4161 B8R0.22 CCCC(CCC)OC 34a_100138415774_200011218217 [0,2,0,0,0,0|1,0,1]=4 4162 B8R0.22 CCCC(CCC)OC 34a_200011218534_200000210301 [0,2,0,0,0,0|1,0,1]=4 4163 B8R0.22 CCCC(CCC)OC 7a_200011218534_200000210301 [0,2,0,0,0,0|1,0,1]=4 4164 B8R0.22 CCCC(CCC)O[13CH3] 34a_200011218534_200025704644 [0,2,0,0,0,0|1,0,1]=4 4165 B8R0.22 CCCC(CCC)O[13CH3] 7a_200011218534_200025704644 [0,2,0,0,0,0|1,0,1]=4 4166 B8R0.22 CCCC(CCC)SC 62a_200000210301_200011218217 [0,2,0,0,0,0|1,0,1]=4 4167 B8R0.22 CCCC(CCC)SC 62a_200011218217_200000210301 [0,2,0,0,0,0|1,0,1]=4 4168 B8R0.22 CCCC(CCC)S[13CH3] 62a_200011218217_200025704644 [0,2,0,0,0,0|1,0,1]=4 4169 B8R0.22 CCCC(CCC)S[13CH3] 62a_200025704644_200011218217 [0,2,0,0,0,0|1,0,1]=4 4170 B8R0.22 CCCN(CC)CC=O 2230a_100000226822_200015260668 [0,2,0,0,0,0|1,0,0]=3 4171 B8R0.22 CCCN(CC)CC=O 269982a_100000226822_200015260668 [0,2,0,0,0,0|1,0,0]=3 4172 B8R0.22 CCC[C@@H](CCO)NC 2230a_100015193777_200000210301 [0,2,0,0,0,0|0,0,2]=4 4173 B8R0.22 CCC[C@@H](CCO)NC 34a_100015193777_200000210301 [0,2,0,0,0,0|0,0,2]=4 4174 B8R0.22 CCC[C@@H](CCO)N[13CH3] 2230a_100015193777_200025704644 [0,2,0,0,0,0|0,0,2]=4 4175 B8R0.22 CCC[C@@H](CCO)N[13CH3] 34a_100015193777_200025704644 [0,2,0,0,0,0|0,0,2]=4 4176 B8R0.22 CCC[C@@H](CO)NCC 2230a_100000732646_100000210202 [0,2,0,0,0,0|0,0,2]=4 4177 B8R0.22 CCC[C@@H](CO)NCC 34a_100000732646_100000210202 [0,2,0,0,0,0|0,0,2]=4 4178 B8R0.22 CCC[C@@H](CO)NCF 34a_100000732646_100015361967 [0,2,0,0,0,0|0,0,2]=4 4179 B8R0.22 CCN(CC=O)CCO 2230a_100000210973_200015260668 [0,2,0,0,0,0|2,0,0]=4 4180 B8R0.22 CCN(CC=O)CCO 269982a_100000210973_200015260668 [0,2,0,0,0,0|2,0,0]=4 4181 B8R0.30 C=CCC(C)(C)OCC 7a_100011995686_100000210202 [0,2,0,0,0,0|2,0,0]=4 4182 B8R0.30 CCCC(C)(C)COC 7a_100011995695_200000210301 [0,2,0,0,0,0|0,0,2]=4 4183 B8R0.30 CCCC(C)(C)CO[13CH3] 7a_100011995695_200025704644 [0,2,0,0,0,0|0,0,2]=4 4184 B8R0.30 CCCC(C)(C)OCC 7a_100000748436_100000210202 [0,2,0,0,0,0|1,0,1]=4 4185 B8R0.30 CCCC(C)(C)OCF 7a_100000748436_100015361967 [0,2,0,0,0,0|1,0,1]=4 4186 B8R0.13 C=CC(C)(C)C(=O)CC 1458a_100012027013_100000210202 [0,2,0,0,0,0|1,0,1]=4 4187 B8R0.20 C=CC(C)N(CC)CC 269956a_100000042499_100011215867 [0,2,0,0,0,0|2,0,0]=4 4188 B8R0.20 C=CC(C)N(CC)CC 269982a_100000724800_100011215867 [0,2,0,0,0,0|2,0,0]=4 4189 B8R0.20 CCC(CC)C(C)NC 269862a_106832991636_100011393642 [0,2,0,0,0,0|2,0,0]=4 4190 B8R0.20 CCC(CC)C(C)NC 270004a_106832991635_100011393642 [0,2,0,0,0,0|2,0,0]=4 4191 B8R0.20 CCN(C)C(C=O)C=O 2230a_100000225621_100000736813 [0,2,0,0,0,0|1,0,1]=4 4192 B8R0.20 CC[C@H](C)[C@@H](CO)NC 2230a_100011827617_200000210301 [0,2,0,0,0,0|0,0,2]=4 4193 B8R0.20 CC[C@H](C)[C@@H](CO)N[13CH3] 2230a_100011827617_200025704644 [0,2,0,0,0,0|0,0,2]=4 4194 B8R0.20 CNC(C=O)C(=O)OC 34a_100102657272_100000046368 [0,2,0,0,0,0|1,0,1]=4 4195 B8R0.20 COC(=O)C(C=O)OC 34a_100138415774_100000046368 [0,2,0,0,0,0|1,0,1]=4 4196 B8R0.20 COC(=O)C(C=O)SC 62a_100000046368_200000210301 [0,2,0,0,0,0|1,0,1]=4 4197 B8R0.20 COC(=O)C(C=O)SC 62a_200000210301_100000046368 [0,2,0,0,0,0|1,0,1]=4 4198 B8R0.20 COC(=O)C(C=O)S[13CH3] 62a_100000046368_200025704644 [0,2,0,0,0,0|1,0,1]=4 4199 B8R0.20 COC(=O)C(C=O)S[13CH3] 62a_200025704644_100000046368 [0,2,0,0,0,0|1,0,1]=4 4200 B8R0.31 C#CC(C)(C=C)OCC 34a_100000033310_100000210202 [0,2,0,0,0,0|2,0,0]=4 4201 B8R0.31 C#CC(C)(C=C)OCC 7a_100000033310_100000210202 [0,2,0,0,0,0|2,0,0]=4 4202 B8R0.31 CCCC(C)(CC)NC 7a_106832991635_200000040151 [0,2,0,0,0,0|1,0,1]=4 4203 B8R0.31 CCCC(C)(CC)OC 7a_200011215934_200000210301 [0,2,0,0,0,0|1,0,1]=4 4204 B8R0.31 CCCC(C)(CC)O[13CH3] 7a_200011215934_200025704644 [0,2,0,0,0,0|1,0,1]=4 4205 B8R0.31 CCCC(C)(CC)SC 62a_200000040151_200000210301 [0,2,0,0,0,0|1,0,1]=4 4206 B8R0.31 CCCC(C)(CC)SC 62a_200000210301_200000040151 [0,2,0,0,0,0|1,0,1]=4 4207 B8R0.31 CCCC(C)(CC)S[13CH3] 62a_200000040151_200025704644 [0,2,0,0,0,0|1,0,1]=4 4208 B8R0.31 CCCC(C)(CC)S[13CH3] 62a_200025704644_200000040151 [0,2,0,0,0,0|1,0,1]=4 4209 B6R1.2 CN1CCCC1 2230a_100000188435_200000210301 [1,0,0,1,0,0|1,0,1]=4 4210 B6R1.2 CN1CCCC1 269982a_100000188435_200000210301 [1,0,0,1,0,0|1,0,1]=4 4211 B6R1.2 [13CH3]N1CCCC1 2230a_100000188435_200025704644 [1,0,0,1,0,0|1,0,1]=4 4212 B6R1.2 [13CH3]N1CCCC1 269982a_100000188435_200025704644 [1,0,0,1,0,0|1,0,1]=4 4213 B6R1.3 CCNC1CC1 34a_100000212008_100000210202 [1,0,0,1,0,0|1,0,1]=4 4214 B6R1.3 CCOC1CC1 34a_100121572206_100000211595 [1,0,0,1,0,0|1,0,1]=4 4215 B6R1.3 CCSC1CC1 62a_100000210202_100000211595 [1,0,0,1,0,0|1,0,1]=4 4216 B6R1.3 CNCC1CC1 2230a_100000735609_200000210301 [1,0,0,1,0,0|1,0,1]=4 4217 B6R1.3 CNCC1CC1 2230a_106832991635_100000742324 [1,0,0,1,0,0|1,0,1]=4 4218 B6R1.3 CNCC1CC1 269862a_106832991636_100000741477 [1,0,0,1,0,0|1,0,1]=4 4219 B6R1.3 CNCC1CC1 34a_100000735609_200000210301 [1,0,0,1,0,0|1,0,1]=4 4220 B6R1.3 CNCC1CC1 34a_100102657272_100000742324 [1,0,0,1,0,0|1,0,1]=4 4221 B6R1.3 CNCC1CC1 7a_106832991635_100000742324 [1,0,0,1,0,0|1,0,1]=4 4222 B6R1.3 CNCC1CO1 2230a_106832991635_100011216344 [1,0,0,1,0,0|1,0,1]=4 4223 B6R1.3 CNCC1CO1 34a_100102657272_102125554688 [1,0,0,1,0,0|1,0,1]=4 4224 B6R1.3 CNCC1CO1 7a_106832991635_102125554688 [1,0,0,1,0,0|1,0,1]=4 4225 B6R1.3 CNCC1CS1 7a_106832991635_100000031435 [1,0,0,1,0,0|1,1,0]=4 4226 B6R1.3 CNC[C@@H]1CO1 7a_106832991635_100000745022 [1,0,0,1,0,0|1,0,1]=4 4227 B6R1.3 COCC1CC1 34a_100000211283_200000210301 [1,0,0,1,0,0|1,0,1]=4 4228 B6R1.3 COCC1CC1 34a_100138415774_100000742324 [1,0,0,1,0,0|1,0,1]=4 4229 B6R1.3 COCC1CO1 34a_100138415774_102125554688 [1,0,0,1,0,0|1,0,1]=4 4230 B6R1.3 COC[C@@H]1CO1 34a_100000757423_200000210301 [1,0,0,1,0,0|1,0,1]=4 4231 B6R1.3 CSCC1CC1 62a_100000756562_200000210301 [1,0,0,1,0,0|1,0,1]=4 4232 B6R1.3 CSCC1CC1 62a_200000210301_100000742324 [1,0,0,1,0,0|1,0,1]=4 4233 B6R1.3 CSCC1CO1 62a_102125554688_200000210301 [1,0,0,1,0,0|1,0,1]=4 4234 B6R1.3 CSCC1CO1 62a_200000210301_102125554688 [1,0,0,1,0,0|1,0,1]=4 4235 B6R1.3 CSCC1CS1 62a_100000031435_200000210301 [1,0,0,1,0,0|1,1,0]=4 4236 B6R1.3 CSCC1CS1 62a_200000210301_100000031435 [1,0,0,1,0,0|1,1,0]=4 4237 B6R1.3 CSC[C@@H]1CO1 62a_100000745022_200000210301 [1,0,0,1,0,0|1,0,1]=4 4238 B6R1.3 CSC[C@@H]1CO1 62a_200000210301_100000745022 [1,0,0,1,0,0|1,0,1]=4 4239 B6R1.3 [13CH3]NCC1CC1 2230a_100000735609_200025704644 [1,0,0,1,0,0|1,0,1]=4 4240 B6R1.3 [13CH3]NCC1CC1 34a_100000735609_200025704644 [1,0,0,1,0,0|1,0,1]=4 4241 B6R1.3 [13CH3]OCC1CC1 34a_100000211283_200025704644 [1,0,0,1,0,0|1,0,1]=4 4242 B6R1.3 [13CH3]OC[C@@H]1CO1 34a_100000757423_200025704644 [1,0,0,1,0,0|1,0,1]=4 4243 B6R1.3 [13CH3]SCC1CC1 62a_100000756562_200025704644 [1,0,0,1,0,0|1,0,1]=4 4244 B6R1.3 [13CH3]SCC1CC1 62a_200025704644_100000742324 [1,0,0,1,0,0|1,0,1]=4 4245 B6R1.3 [13CH3]SCC1CO1 62a_102125554688_200025704644 [1,0,0,1,0,0|1,0,1]=4 4246 B6R1.3 [13CH3]SCC1CO1 62a_200025704644_102125554688 [1,0,0,1,0,0|1,0,1]=4 4247 B6R1.3 [13CH3]SCC1CS1 62a_100000031435_200025704644 [1,0,0,1,0,0|1,1,0]=4 4248 B6R1.3 [13CH3]SCC1CS1 62a_200025704644_100000031435 [1,0,0,1,0,0|1,1,0]=4 4249 B6R1.3 [13CH3]SC[C@@H]1CO1 62a_100000745022_200025704644 [1,0,0,1,0,0|1,0,1]=4 4250 B6R1.3 [13CH3]SC[C@@H]1CO1 62a_200025704644_100000745022 [1,0,0,1,0,0|1,0,1]=4 4251 B6R1.5 CC1CN(C1)C 2230a_100000702820_200000210301 [1,0,0,1,0,0|1,0,1]=4 4252 B6R1.5 CC1CN(C1)C 269982a_100000702820_200000210301 [1,0,0,1,0,0|1,0,1]=4 4253 B6R1.5 CC1CN(C1)C 34a_100000702820_200000210301 [1,0,0,1,0,0|1,0,1]=4 4254 B6R1.5 CC1CN(C1)[13CH3] 2230a_100000702820_200025704644 [1,0,0,1,0,0|1,0,1]=4 4255 B6R1.5 CC1CN(C1)[13CH3] 269982a_100000702820_200025704644 [1,0,0,1,0,0|1,0,1]=4 4256 B6R1.5 CC1CN(C1)[13CH3] 34a_100000702820_200025704644 [1,0,0,1,0,0|1,0,1]=4 4257 B6R1.5 CN1CC(C1)F 2230a_100000690557_200000210301 [1,0,0,1,0,0|2,0,0]=4 4258 B6R1.5 CN1CC(C1)F 269982a_100000690557_200000210301 [1,0,0,1,0,0|2,0,0]=4 4259 B6R1.5 CN1CC(C1)F 34a_100000690557_200000210301 [1,0,0,1,0,0|2,0,0]=4 4260 B6R1.5 CN1CC(C1)O 269982a_100000749847_200000210301 [1,0,0,1,0,0|1,0,1]=4 4261 B6R1.5 [13CH3]N1CC(C1)F 2230a_100000690557_200025704644 [1,0,0,1,0,0|2,0,0]=4 4262 B6R1.5 [13CH3]N1CC(C1)F 269982a_100000690557_200025704644 [1,0,0,1,0,0|2,0,0]=4 4263 B6R1.5 [13CH3]N1CC(C1)F 34a_100000690557_200025704644 [1,0,0,1,0,0|2,0,0]=4 4264 B6R1.5 [13CH3]N1CC(C1)O 269982a_100000749847_200025704644 [1,0,0,1,0,0|1,0,1]=4 4265 B6R1.8 CN[C@@H]1C[C@@H]1F 2230a_100015190264_200000210301 [1,0,0,1,0,0|2,0,0]=4 4266 B6R1.8 CN[C@@H]1C[C@H]1F 2230a_100025746932_200000210301 [1,0,0,1,0,0|2,0,0]=4 4267 B6R1.8 CN[C@@H]1C[C@H]1F 34a_100025746932_200000210301 [1,0,0,1,0,0|2,0,0]=4 4268 B6R1.8 [13CH3]N[C@@H]1C[C@@H]1F 2230a_100015190264_200025704644 [1,0,0,1,0,0|2,0,0]=4 4269 B6R1.8 [13CH3]N[C@@H]1C[C@H]1F 2230a_100025746932_200025704644 [1,0,0,1,0,0|2,0,0]=4 4270 B6R1.8 [13CH3]N[C@@H]1C[C@H]1F 34a_100025746932_200025704644 [1,0,0,1,0,0|2,0,0]=4 4271 B6R1.11 CC(=O)C1CC1 1458a_100000210395_200000210301 [1,0,0,1,0,0|0,0,1]=3 4272 B6R1.11 CC(=O)C1CO1 1458a_100000701028_200000210301 [1,0,0,1,0,0|1,0,1]=4 4273 B6R1.11 CN(C)C1CC1 2230a_100000226674_200000210301 [1,0,0,1,0,0|1,0,1]=4 4274 B6R1.11 CN(C)C1CC1 269982a_100000226674_200000210301 [1,0,0,1,0,0|1,0,1]=4 4275 B6R1.11 CN(C)C1CC1 269982a_100102631434_100000211595 [1,0,0,1,0,0|1,0,1]=4 4276 B6R1.11 CN([13CH3])C1CC1 2230a_100000226674_200025704644 [1,0,0,1,0,0|1,0,1]=4 4277 B6R1.11 CN([13CH3])C1CC1 269982a_100000226674_200025704644 [1,0,0,1,0,0|1,0,1]=4 4278 B6R1.11 [13CH3]C(=O)C1CC1 1458a_100000210395_200025704644 [1,0,0,1,0,0|0,0,1]=3 4279 B6R1.11 [13CH3]C(=O)C1CO1 1458a_100000701028_200025704644 [1,0,0,1,0,0|1,0,1]=4 4280 B6R1.4 CC1CCN1C 269982a_100000755817_200000210301 [1,0,0,1,0,0|2,0,0]=4 4281 B6R1.4 CC1CCN1C 34a_100000755817_200000210301 [1,0,0,1,0,0|2,0,0]=4 4282 B6R1.4 CC1CCN1[13CH3] 269982a_100000755817_200025704644 [1,0,0,1,0,0|2,0,0]=4 4283 B6R1.4 CC1CCN1[13CH3] 34a_100000755817_200025704644 [1,0,0,1,0,0|2,0,0]=4 4284 B6R1.6 CNC1CCC1 2230a_100000749019_200000210301 [1,0,0,1,0,0|2,0,0]=4 4285 B6R1.6 CNC1CCC1 270004a_106832991635_100000241760 [1,0,0,1,0,0|2,0,0]=4 4286 B6R1.6 CNC1CCC1 34a_100000749019_200000210301 [1,0,0,1,0,0|2,0,0]=4 4287 B6R1.6 CNC1CCC1 34a_100102657272_100000749161 [1,0,0,1,0,0|2,0,0]=4 4288 B6R1.6 COC1CCC1 34a_100000748187_200000210301 [1,0,0,1,0,0|2,0,0]=4 4289 B6R1.6 COC1CCC1 34a_100138415774_100000749161 [1,0,0,1,0,0|2,0,0]=4 4290 B6R1.6 CSC1CCC1 62a_200000210301_100000749161 [1,0,0,1,0,0|2,0,0]=4 4291 B6R1.6 [13CH3]NC1CCC1 2230a_100000749019_200025704644 [1,0,0,1,0,0|2,0,0]=4 4292 B6R1.6 [13CH3]NC1CCC1 34a_100000749019_200025704644 [1,0,0,1,0,0|2,0,0]=4 4293 B6R1.6 [13CH3]OC1CCC1 34a_100000748187_200025704644 [1,0,0,1,0,0|2,0,0]=4 4294 B6R1.6 [13CH3]SC1CCC1 62a_200025704644_100000749161 [1,0,0,1,0,0|2,0,0]=4 4295 B6R1.7 CC1(CC1)N[13CH3] 2230a_100000757604_200025704644 [1,0,0,1,0,0|2,0,0]=4 4296 B6R1.7 CC1(CC1)O[13CH3] 7a_100011725673_200025704644 [1,0,0,1,0,0|2,0,0]=4 4297 B6R1.7 CNC1(CC1)C 2230a_100000757604_200000210301 [1,0,0,1,0,0|2,0,0]=4 4298 B6R1.7 COC1(CC1)C 7a_100011725673_200000210301 [1,0,0,1,0,0|2,0,0]=4 4299 B8R1.1 CC1CCC(C1)O[13CH3] 34a_100000698185_200025704644 [0,1,0,1,0,0|1,0,1]=4 4300 B8R1.1 CCN1CC[C@H](C1)C 2230a_100016987628_100000210202 [0,1,0,1,0,0|1,0,1]=4 4301 B8R1.1 CCN1CC[C@H](C1)C 269982a_100016987628_100000204670 [0,1,0,1,0,0|1,0,1]=4 4302 B8R1.1 CCN1CC[C@H](C1)C 34a_100016987628_100000210202 [0,1,0,1,0,0|1,0,1]=4 4303 B8R1.1 CN1CCC(C1)C#N 2230a_100016989334_200000210301 [0,1,0,1,0,0|1,0,1]=4 4304 B8R1.1 CN1CCC(C1)CO 2230a_100000748654_200000210301 [0,1,0,1,0,0|0,0,2]=4 4305 B8R1.1 CN1CCC(C1)CO 269982a_100000748654_200000210301 [0,1,0,1,0,0|0,0,2]=4 4306 B8R1.1 CN1CCC(C1)CO 34a_100000748654_200000210301 [0,1,0,1,0,0|0,0,2]=4 4307 B8R1.1 CN1CCC(C1)S[13CH3] 62a_200025704644_200012183744 [0,1,0,1,0,0|2,0,0]=4 4308 B8R1.1 CNC1CCC(C1)C 270004a_106832991635_100011215218 [0,1,0,1,0,0|1,0,1]=4 4309 B8R1.1 CNC1CCC(C1)O 270004a_106832991635_100012614533 [0,1,0,1,0,0|2,0,0]=4 4310 B8R1.1 CNC1CCN(C1)C 7a_106832991635_200012183744 [0,1,0,1,0,0|2,0,0]=4 4311 B8R1.1 CN[C@H]1CC[C@H](C1)O 2230a_100015195300_200000210301 [0,1,0,1,0,0|2,0,0]=4 4312 B8R1.1 COC1CCC(C1)C 34a_100000698185_200000210301 [0,1,0,1,0,0|1,0,1]=4 4313 B8R1.1 CO[C@@H]1CCN(C1)C 2230a_100000766984_200000210301 [0,1,0,1,0,0|2,0,0]=4 4314 B8R1.1 CO[C@@H]1CCN(C1)C 269982a_100000766984_200000210301 [0,1,0,1,0,0|2,0,0]=4 4315 B8R1.1 CO[C@@H]1CCN(C1)[13CH3] 2230a_100000766984_200025704644 [0,1,0,1,0,0|2,0,0]=4 4316 B8R1.1 CO[C@@H]1CCN(C1)[13CH3] 269982a_100000766984_200025704644 [0,1,0,1,0,0|2,0,0]=4 4317 B8R1.1 CSC1CCN(C1)C 62a_200000210301_200012183744 [0,1,0,1,0,0|2,0,0]=4 4318 B8R1.1 [13CH3]N1CCC(C1)C#N 2230a_100016989334_200025704644 [0,1,0,1,0,0|1,0,1]=4 4319 B8R1.1 [13CH3]N1CCC(C1)CO 2230a_100000748654_200025704644 [0,1,0,1,0,0|0,0,2]=4 4320 B8R1.1 [13CH3]N1CCC(C1)CO 269982a_100000748654_200025704644 [0,1,0,1,0,0|0,0,2]=4 4321 B8R1.1 [13CH3]N1CCC(C1)CO 34a_100000748654_200025704644 [0,1,0,1,0,0|0,0,2]=4 4322 B8R1.1 [13CH3]N[C@H]1CC[C@H](C1)O 2230a_100015195300_200025704644 [0,1,0,1,0,0|2,0,0]=4 4323 B8R1.4 CN1CCNC(=O)C1 2230a_100000184651_200000210301 [0,1,0,1,0,0|2,0,0]=4 4324 B8R1.4 CN1CCOC(=O)C1 2230a_100000131268_200000210301 [0,1,0,1,0,0|2,0,0]=4 4325 B8R1.4 C[C@H]1CCCN(C1)C 2230a_100000717927_200000210301 [0,1,0,1,0,0|1,0,1]=4 4326 B8R1.4 C[C@H]1CCCN(C1)C 269982a_100000717927_200000210301 [0,1,0,1,0,0|1,0,1]=4 4327 B8R1.4 C[C@H]1CCCN(C1)C 34a_100000717927_200000210301 [0,1,0,1,0,0|1,0,1]=4 4328 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 2230a_100000717927_200025704644 [0,1,0,1,0,0|1,0,1]=4 4329 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 269982a_100000717927_200025704644 [0,1,0,1,0,0|1,0,1]=4 4330 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 34a_100000717927_200025704644 [0,1,0,1,0,0|1,0,1]=4 4331 B8R1.4 [13CH3]N1CCNC(=O)C1 2230a_100000184651_200025704644 [0,1,0,1,0,0|2,0,0]=4 4332 B8R1.4 [13CH3]N1CCOC(=O)C1 2230a_100000131268_200025704644 [0,1,0,1,0,0|2,0,0]=4 4333 B8R1.40 C#CC(C)NC1CC1 34a_100000212008_200000035995 [0,1,0,1,0,0|1,0,1]=4 4334 B8R1.40 C#CC(C)NC1CC1 34a_100000707721_100000211595 [0,1,0,1,0,0|1,0,1]=4 4335 B8R1.40 C#CC(C)SC1CC1 62a_200000035995_100000211595 [0,1,0,1,0,0|1,0,1]=4 4336 B8R1.40 C#C[C@@H](C)OC1CC1 34a_100009815206_100000211595 [0,1,0,1,0,0|1,0,1]=4 4337 B8R1.40 C=CC(C)OC1CC1 34a_100000695699_100000211595 [0,1,0,1,0,0|1,0,0]=3 4338 B8R1.40 C=CC(C)SC1CC1 62a_100011215867_100000211595 [0,1,0,1,0,0|1,0,0]=3 4339 B8R1.40 CC(C#N)OC1CC1 34a_100011218135_100000211595 [0,1,0,1,0,0|1,0,1]=4 4340 B8R1.40 CC(C#N)SC1CC1 62a_100000703298_100000211595 [0,1,0,1,0,0|1,0,1]=4 4341 B8R1.40 CC(CF)OC1CC1 34a_100016041109_100000211595 [0,1,0,1,0,0|1,0,1]=4 4342 B8R1.40 CC(CN)OC1CC1 34a_100000210904_100000211595 [0,1,0,1,0,0|1,0,1]=4 4343 B8R1.40 CC(CO)NC1CC1 34a_100000212008_100012180447 [0,1,0,1,0,0|0,0,2]=4 4344 B8R1.40 CC(CO)SC1CC1 62a_100012180447_100000211595 [0,1,0,1,0,0|0,0,2]=4 4345 B8R1.40 CCC(C)NC1CC1 34a_100000212008_100011215416 [0,1,0,1,0,0|1,0,1]=4 4346 B8R1.40 CCC(C)SC1CC1 62a_100000758301_100000211595 [0,1,0,1,0,0|1,0,1]=4 4347 B8R1.40 CNC(C)CC1CC1 270004a_106832991635_200000686933 [0,1,0,1,0,0|2,0,0]=4 4348 B8R1.40 COC(C)SC1CC1 62a_100009879195_100000211595 [0,1,0,1,0,0|2,0,0]=4 4349 B8R1.40 C[C@H](CO)SC1CC1 62a_100016084084_100000211595 [0,1,0,1,0,0|0,0,2]=4 4350 B8R1.43 CC(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_200000210301 [0,1,0,1,0,0|1,0,1]=4 4351 B8R1.43 CCC1CC1C(=O)C 1458a_200011661523_200000210301 [0,1,0,1,0,0|0,0,0]=2 4352 B8R1.43 CCC1CC1C(=O)[13CH3] 1458a_200011661523_200025704644 [0,1,0,1,0,0|0,0,0]=2 4353 B8R1.43 [13CH3]C(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_200025704644 [0,1,0,1,0,0|1,0,1]=4 4354 B8R1.53 CN[C@H]1C[C@@](C1)(C)O 2230a_100121572536_200000210301 [0,1,0,1,0,0|2,0,0]=4 4355 B8R1.53 C[C@@]1(C[C@H](C1)N[13CH3])O 2230a_100121572536_200025704644 [0,1,0,1,0,0|2,0,0]=4 4356 B8R1.2 CNC1C=CCCC1 2230a_106832991635_100000751183 [0,1,0,1,0,0|1,0,0]=3 4357 B8R1.2 CNC1C=CCCC1 7a_106832991635_100000751183 [0,1,0,1,0,0|1,0,0]=3 4358 B8R1.2 CNC1CCCCC1 2230a_100000182618_200000210301 [0,1,0,1,0,0|1,0,1]=4 4359 B8R1.2 CNC1CCCCC1 270004a_106832991635_100000210434 [0,1,0,1,0,0|1,0,1]=4 4360 B8R1.2 CNC1CCCCC1 34a_100000182618_200000210301 [0,1,0,1,0,0|1,0,1]=4 4361 B8R1.2 CNC1CCCCC1 34a_100102657272_100000210327 [0,1,0,1,0,0|1,0,1]=4 4362 B8R1.2 CNC1CCCCC1 7a_106832991635_100000210327 [0,1,0,1,0,0|1,0,1]=4 4363 B8R1.2 CNC1CCCOC1 2230a_100000719290_200000210301 [0,1,0,1,0,0|0,0,2]=4 4364 B8R1.2 CNC1CCCOC1 270004a_106832991635_100000753404 [0,1,0,1,0,0|0,0,2]=4 4365 B8R1.2 CNC1CCCOC1 34a_100000719290_200000210301 [0,1,0,1,0,0|0,0,2]=4 4366 B8R1.2 CNC1CCCOC1 34a_100102657272_100000693364 [0,1,0,1,0,0|0,0,2]=4 4367 B8R1.2 CNC1CCCOC1 7a_106832991635_100000693364 [0,1,0,1,0,0|0,0,2]=4 4368 B8R1.2 CNC1CCCSC1 270004a_106832991635_100000057913 [0,1,0,1,0,0|0,1,1]=4 4369 B8R1.2 CNC1CCNCC1 270004a_106832991635_100015192401 [0,1,0,1,0,0|2,0,0]=4 4370 B8R1.2 CNC1CCOCC1 2230a_100000741149_200000210301 [0,1,0,1,0,0|2,0,0]=4 4371 B8R1.2 CNC1CCOCC1 270004a_106832991635_100011217826 [0,1,0,1,0,0|2,0,0]=4 4372 B8R1.2 CNC1CCOCC1 34a_100000741149_200000210301 [0,1,0,1,0,0|2,0,0]=4 4373 B8R1.2 CNC1CCOCC1 7a_106832991635_100000686592 [0,1,0,1,0,0|2,0,0]=4 4374 B8R1.2 CNC1CCSCC1 2230a_100000748639_200000210301 [0,1,0,1,0,0|2,0,0]=4 4375 B8R1.2 CNC1CCSCC1 270004a_106832991635_100000203788 [0,1,0,1,0,0|2,0,0]=4 4376 B8R1.2 CNC1CCSCC1 34a_100000748639_200000210301 [0,1,0,1,0,0|2,0,0]=4 4377 B8R1.2 CNC1CCSCC1 34a_100102657272_100000069128 [0,1,0,1,0,0|2,0,0]=4 4378 B8R1.2 CNC1CCSCC1 7a_106832991635_100011500858 [0,1,0,1,0,0|2,0,0]=4 4379 B8R1.2 COC1C=CCCC1 34a_100011215024_200000210301 [0,1,0,1,0,0|1,0,0]=3 4380 B8R1.2 COC1CCCCC1 34a_100000210231_200000210301 [0,1,0,1,0,0|1,0,1]=4 4381 B8R1.2 COC1CCCCC1 34a_100138415774_100000210327 [0,1,0,1,0,0|1,0,1]=4 4382 B8R1.2 COC1CCCCC1 7a_100000210231_200000210301 [0,1,0,1,0,0|1,0,1]=4 4383 B8R1.2 COC1CCCCO1 34a_100000033831_200000210301 [0,1,0,1,0,0|2,0,0]=4 4384 B8R1.2 COC1CCCOC1 34a_100000754041_200000210301 [0,1,0,1,0,0|0,0,2]=4 4385 B8R1.2 COC1CCCOC1 34a_100138415774_100000693364 [0,1,0,1,0,0|0,0,2]=4 4386 B8R1.2 COC1CCCSC1 7a_100015962668_200000210301 [0,1,0,1,0,0|0,1,1]=4 4387 B8R1.2 COC1CCOCC1 34a_100000744328_200000210301 [0,1,0,1,0,0|2,0,0]=4 4388 B8R1.2 COC1CCSCC1 34a_100000731022_200000210301 [0,1,0,1,0,0|2,0,0]=4 4389 B8R1.2 COC1CCSCC1 34a_100138415774_100000069128 [0,1,0,1,0,0|2,0,0]=4 4390 B8R1.2 COC1CCSCC1 7a_100000731022_200000210301 [0,1,0,1,0,0|2,0,0]=4 4391 B8R1.2 CSC1C=CCCC1 62a_100000751183_200000210301 [0,1,0,1,0,0|1,0,0]=3 4392 B8R1.2 CSC1C=CCCC1 62a_200000210301_100000751183 [0,1,0,1,0,0|1,0,0]=3 4393 B8R1.2 CSC1CCCCC1 62a_100000210327_200000210301 [0,1,0,1,0,0|1,0,1]=4 4394 B8R1.2 CSC1CCCCC1 62a_200000210301_100000210327 [0,1,0,1,0,0|1,0,1]=4 4395 B8R1.2 CSC1CCCOC1 62a_200000210301_100000693364 [0,1,0,1,0,0|0,0,2]=4 4396 B8R1.2 CSC1CCOCC1 62a_200000210301_100011324220 [0,1,0,1,0,0|2,0,0]=4 4397 B8R1.2 CSC1CCSCC1 62a_200000210301_100000069128 [0,1,0,1,0,0|2,0,0]=4 4398 B8R1.2 [13CH3]NC1CCCCC1 2230a_100000182618_200025704644 [0,1,0,1,0,0|1,0,1]=4 4399 B8R1.2 [13CH3]NC1CCCCC1 34a_100000182618_200025704644 [0,1,0,1,0,0|1,0,1]=4 4400 B8R1.2 [13CH3]NC1CCCOC1 2230a_100000719290_200025704644 [0,1,0,1,0,0|0,0,2]=4 4401 B8R1.2 [13CH3]NC1CCCOC1 34a_100000719290_200025704644 [0,1,0,1,0,0|0,0,2]=4 4402 B8R1.2 [13CH3]NC1CCOCC1 2230a_100000741149_200025704644 [0,1,0,1,0,0|2,0,0]=4 4403 B8R1.2 [13CH3]NC1CCOCC1 34a_100000741149_200025704644 [0,1,0,1,0,0|2,0,0]=4 4404 B8R1.2 [13CH3]NC1CCSCC1 2230a_100000748639_200025704644 [0,1,0,1,0,0|2,0,0]=4 4405 B8R1.2 [13CH3]NC1CCSCC1 34a_100000748639_200025704644 [0,1,0,1,0,0|2,0,0]=4 4406 B8R1.2 [13CH3]OC1C=CCCC1 34a_100011215024_200025704644 [0,1,0,1,0,0|1,0,0]=3 4407 B8R1.2 [13CH3]OC1CCCCC1 34a_100000210231_200025704644 [0,1,0,1,0,0|1,0,1]=4 4408 B8R1.2 [13CH3]OC1CCCCC1 7a_100000210231_200025704644 [0,1,0,1,0,0|1,0,1]=4 4409 B8R1.2 [13CH3]OC1CCCCO1 34a_100000033831_200025704644 [0,1,0,1,0,0|2,0,0]=4 4410 B8R1.2 [13CH3]OC1CCCOC1 34a_100000754041_200025704644 [0,1,0,1,0,0|0,0,2]=4 4411 B8R1.2 [13CH3]OC1CCCSC1 7a_100015962668_200025704644 [0,1,0,1,0,0|0,1,1]=4 4412 B8R1.2 [13CH3]OC1CCOCC1 34a_100000744328_200025704644 [0,1,0,1,0,0|2,0,0]=4 4413 B8R1.2 [13CH3]OC1CCSCC1 34a_100000731022_200025704644 [0,1,0,1,0,0|2,0,0]=4 4414 B8R1.2 [13CH3]OC1CCSCC1 7a_100000731022_200025704644 [0,1,0,1,0,0|2,0,0]=4 4415 B8R1.2 [13CH3]SC1C=CCCC1 62a_100000751183_200025704644 [0,1,0,1,0,0|1,0,0]=3 4416 B8R1.2 [13CH3]SC1C=CCCC1 62a_200025704644_100000751183 [0,1,0,1,0,0|1,0,0]=3 4417 B8R1.2 [13CH3]SC1CCCCC1 62a_100000210327_200025704644 [0,1,0,1,0,0|1,0,1]=4 4418 B8R1.2 [13CH3]SC1CCCCC1 62a_200025704644_100000210327 [0,1,0,1,0,0|1,0,1]=4 4419 B8R1.2 [13CH3]SC1CCCOC1 62a_200025704644_100000693364 [0,1,0,1,0,0|0,0,2]=4 4420 B8R1.2 [13CH3]SC1CCOCC1 62a_200025704644_100011324220 [0,1,0,1,0,0|2,0,0]=4 4421 B8R1.2 [13CH3]SC1CCSCC1 62a_200025704644_100000069128 [0,1,0,1,0,0|2,0,0]=4 4422 B8R1.3 CC1=CCN(CC1)C 2230a_100000693516_200000210301 [0,1,0,1,0,0|1,0,1]=4 4423 B8R1.3 CC1=CCN(CC1)C 269982a_100000693516_200000210301 [0,1,0,1,0,0|1,0,1]=4 4424 B8R1.3 CC1=CCN(CC1)C 34a_100000693516_200000210301 [0,1,0,1,0,0|1,0,1]=4 4425 B8R1.3 CC1=CCN(CC1)[13CH3] 2230a_100000693516_200025704644 [0,1,0,1,0,0|1,0,1]=4 4426 B8R1.3 CC1=CCN(CC1)[13CH3] 269982a_100000693516_200025704644 [0,1,0,1,0,0|1,0,1]=4 4427 B8R1.3 CC1=CCN(CC1)[13CH3] 34a_100000693516_200025704644 [0,1,0,1,0,0|1,0,1]=4 4428 B8R1.3 CC1CCN(CC1)C 2230a_100000188429_200000210301 [0,1,0,1,0,0|1,0,1]=4 4429 B8R1.3 CC1CCN(CC1)C 269982a_100000188429_200000210301 [0,1,0,1,0,0|1,0,1]=4 4430 B8R1.3 CC1CCN(CC1)C 34a_100000188429_200000210301 [0,1,0,1,0,0|1,0,1]=4 4431 B8R1.3 CC1CCN(CC1)[13CH3] 2230a_100000188429_200025704644 [0,1,0,1,0,0|1,0,1]=4 4432 B8R1.3 CC1CCN(CC1)[13CH3] 269982a_100000188429_200025704644 [0,1,0,1,0,0|1,0,1]=4 4433 B8R1.3 CC1CCN(CC1)[13CH3] 34a_100000188429_200025704644 [0,1,0,1,0,0|1,0,1]=4 4434 B8R1.5 CC1CCCCN1C 2230a_100000211376_200000210301 [0,1,0,1,0,0|2,0,0]=4 4435 B8R1.5 CC1CCCCN1C 269982a_100000211376_200000210301 [0,1,0,1,0,0|2,0,0]=4 4436 B8R1.5 CC1CCCCN1C 34a_100000211376_200000210301 [0,1,0,1,0,0|2,0,0]=4 4437 B8R1.5 CC1CCCCN1[13CH3] 2230a_100000211376_200025704644 [0,1,0,1,0,0|2,0,0]=4 4438 B8R1.5 CC1CCCCN1[13CH3] 269982a_100000211376_200025704644 [0,1,0,1,0,0|2,0,0]=4 4439 B8R1.5 CC1CCCCN1[13CH3] 34a_100000211376_200025704644 [0,1,0,1,0,0|2,0,0]=4 4440 B8R1.5 C[C@H]1COCCN1C 2230a_100009815349_200000210301 [0,1,0,1,0,0|2,0,0]=4 4441 B8R1.5 C[C@H]1COCCN1C 269982a_100009815349_200000210301 [0,1,0,1,0,0|2,0,0]=4 4442 B8R1.5 C[C@H]1COCCN1C 34a_100009815349_200000210301 [0,1,0,1,0,0|2,0,0]=4 4443 B8R1.5 C[C@H]1COCCN1[13CH3] 2230a_100009815349_200025704644 [0,1,0,1,0,0|2,0,0]=4 4444 B8R1.5 C[C@H]1COCCN1[13CH3] 269982a_100009815349_200025704644 [0,1,0,1,0,0|2,0,0]=4 4445 B8R1.5 C[C@H]1COCCN1[13CH3] 34a_100009815349_200025704644 [0,1,0,1,0,0|2,0,0]=4 4446 B8R1.9 CCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210303 [0,1,0,1,0,0|1,0,1]=4 4447 B8R1.9 CCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210303 [0,1,0,1,0,0|1,0,1]=4 4448 B8R1.9 CCCN[C@@H]1C[C@H]1F 34a_100025746932_100000210303 [0,1,0,1,0,0|1,0,1]=4 4449 B8R1.9 CCOCC1CC1C 34a_100000744939_100000210202 [0,1,0,1,0,0|1,0,1]=4 4450 B8R1.9 CCOCC1CC1C 7a_100000744939_100000210202 [0,1,0,1,0,0|1,0,1]=4 4451 B8R1.10 CCCNC1CCC1 2230a_100000749019_100000210303 [0,1,0,1,0,0|1,0,1]=4 4452 B8R1.10 CCCNC1CCC1 270004a_100020643023_100000241760 [0,1,0,1,0,0|1,0,1]=4 4453 B8R1.10 CCCNC1CCC1 34a_100000749019_100000210303 [0,1,0,1,0,0|1,0,1]=4 4454 B8R1.10 CCCNC1COC1 2230a_100016991112_100000210303 [0,1,0,1,0,0|0,0,2]=4 4455 B8R1.10 CCCOC1CCC1 34a_100000210258_100000749161 [0,1,0,1,0,0|1,0,1]=4 4456 B8R1.10 CCCOC1CCC1 34a_100000748187_100000210303 [0,1,0,1,0,0|1,0,1]=4 4457 B8R1.10 CCCOC1COC1 34a_100000210258_100009818527 [0,1,0,1,0,0|0,0,2]=4 4458 B8R1.10 CCCOC1CSC1 7a_100000072292_100000210303 [0,1,0,1,0,0|0,1,1]=4 4459 B8R1.10 CCCSC1CCC1 62a_100000210303_100000749161 [0,1,0,1,0,0|1,0,1]=4 4460 B8R1.10 CCCSC1COC1 62a_100000210303_100009818527 [0,1,0,1,0,0|0,0,2]=4 4461 B8R1.10 CCNCC1CCC1 2230a_100000738700_100000210202 [0,1,0,1,0,0|1,0,1]=4 4462 B8R1.10 CCNCC1CCC1 2230a_100015525214_100000763275 [0,1,0,1,0,0|1,0,1]=4 4463 B8R1.10 CCNCC1CCC1 269862a_100015525214_100000753134 [0,1,0,1,0,0|1,0,1]=4 4464 B8R1.10 CCNCC1CCC1 34a_100000738700_100000210202 [0,1,0,1,0,0|1,0,1]=4 4465 B8R1.10 CCNCC1CCO1 2230a_100015525214_100000103362 [0,1,0,1,0,0|2,0,0]=4 4466 B8R1.10 CCNCC1COC1 2230a_100015281925_100000210202 [0,1,0,1,0,0|0,0,2]=4 4467 B8R1.10 CCNCC1COC1 2230a_100015525214_100010264016 [0,1,0,1,0,0|0,0,2]=4 4468 B8R1.10 CCNCC1COC1 34a_100015281925_100000210202 [0,1,0,1,0,0|0,0,2]=4 4469 B8R1.10 CCNC[C@@H]1CCO1 2230a_100020831831_100000210202 [0,1,0,1,0,0|2,0,0]=4 4470 B8R1.10 CCNC[C@@H]1CCO1 34a_100020831831_100000210202 [0,1,0,1,0,0|2,0,0]=4 4471 B8R1.10 CCOCC1CCC1 34a_100000760304_100000210202 [0,1,0,1,0,0|1,0,1]=4 4472 B8R1.10 CCOCC1CCC1 34a_100121572206_100000763275 [0,1,0,1,0,0|1,0,1]=4 4473 B8R1.10 CCOCC1CCO1 34a_100000039022_100000210202 [0,1,0,1,0,0|2,0,0]=4 4474 B8R1.10 CCOCC1CCO1 34a_100121572206_100000103362 [0,1,0,1,0,0|2,0,0]=4 4475 B8R1.10 CCOCC1CNC1 34a_100016987283_100000210202 [0,1,0,1,0,0|1,0,1]=4 4476 B8R1.10 CCOCC1COC1 34a_100000060846_100000210202 [0,1,0,1,0,0|0,0,2]=4 4477 B8R1.10 CCOCC1COC1 34a_100121572206_100010264016 [0,1,0,1,0,0|0,0,2]=4 4478 B8R1.10 CCSCC1CCC1 62a_100000210202_100000763275 [0,1,0,1,0,0|1,0,1]=4 4479 B8R1.10 CCSCC1CCC1 62a_100000763275_100000210202 [0,1,0,1,0,0|1,0,1]=4 4480 B8R1.10 CCSCC1CCO1 62a_100000103362_100000210202 [0,1,0,1,0,0|2,0,0]=4 4481 B8R1.10 CCSCC1CCO1 62a_100000210202_100000103362 [0,1,0,1,0,0|2,0,0]=4 4482 B8R1.10 CCSCC1COC1 62a_100000210202_100010264016 [0,1,0,1,0,0|0,0,2]=4 4483 B8R1.10 CCSCC1COC1 62a_100010264016_100000210202 [0,1,0,1,0,0|0,0,2]=4 4484 B8R1.10 COCCC1COC1 34a_100009855314_200000210301 [0,1,0,1,0,0|0,0,2]=4 4485 B8R1.10 [13CH3]OCCC1COC1 34a_100009855314_200025704644 [0,1,0,1,0,0|0,0,2]=4 4486 B8R1.13 CCCN1CCC1C 269982a_100000755817_100000210303 [0,1,0,1,0,0|1,0,1]=4 4487 B8R1.13 CCCN1CCC1C 34a_100000755817_100000210303 [0,1,0,1,0,0|1,0,1]=4 4488 B8R1.13 CCOC1CCC1=O 34a_100121572206_100009892977 [0,1,0,1,0,0|1,0,0]=3 4489 B8R1.13 CCSC1CCC1=O 62a_100000210202_100009892977 [0,1,0,1,0,0|1,0,0]=3 4490 B8R1.13 CCSC1CCC1=O 62a_100009892977_100000210202 [0,1,0,1,0,0|1,0,0]=3 4491 B8R1.13 O=C1CCC1SCF 62a_100009892977_100015361967 [0,1,0,1,0,0|2,0,0]=4 4492 B8R1.13 O=C1CCC1SCF 62a_100015361967_100009892977 [0,1,0,1,0,0|2,0,0]=4 4493 B8R1.38 C=CC(C)N1CCC1 269982a_100000754969_100011215867 [0,1,0,1,0,0|1,0,0]=3 4494 B8R1.38 CC(C#N)N1CCC1 269982a_100000754969_100000703298 [0,1,0,1,0,0|1,0,1]=4 4495 B8R1.38 CC(N[13CH3])C1CCC1 2230a_100016994624_200025704644 [0,1,0,1,0,0|2,0,0]=4 4496 B8R1.38 CC(N[13CH3])C1CCC1 34a_100016994624_200025704644 [0,1,0,1,0,0|2,0,0]=4 4497 B8R1.38 CC(O[13CH3])C1CCC1 34a_100000766398_200025704644 [0,1,0,1,0,0|2,0,0]=4 4498 B8R1.38 CC(O[13CH3])C1CCC1 7a_100000766398_200025704644 [0,1,0,1,0,0|2,0,0]=4 4499 B8R1.38 CCC(C)N1CCC1 269982a_100000754969_100000758301 [0,1,0,1,0,0|1,0,1]=4 4500 B8R1.38 CNC(C)C1CCC1 2230a_100016994624_200000210301 [0,1,0,1,0,0|2,0,0]=4 4501 B8R1.38 CNC(C)C1CCC1 269862a_106832991636_100000760154 [0,1,0,1,0,0|2,0,0]=4 4502 B8R1.38 CNC(C)C1CCC1 34a_100016994624_200000210301 [0,1,0,1,0,0|2,0,0]=4 4503 B8R1.38 COC(C)C1CCC1 34a_100000766398_200000210301 [0,1,0,1,0,0|2,0,0]=4 4504 B8R1.38 COC(C)C1CCC1 7a_100000766398_200000210301 [0,1,0,1,0,0|2,0,0]=4 4505 B8R1.38 COC(C)N1CCC1 269982a_100000754969_100009879195 [0,1,0,1,0,0|2,0,0]=4 4506 B8R1.38 C[C@H](CO)N1CCC1 269982a_100000754969_100016084084 [0,1,0,1,0,0|0,0,2]=4 4507 B8R1.41 CC1(N=N1)CCO[13CH3] 34a_100009880064_200025704644 [0,1,0,1,0,0|2,0,0]=4 4508 B8R1.41 CCCNC1(CC1)C 2230a_100000757604_100000210303 [0,1,0,1,0,0|1,0,1]=4 4509 B8R1.41 CCCOC1(CC1)C 7a_100011725673_100000210303 [0,1,0,1,0,0|1,0,1]=4 4510 B8R1.41 CCNCC1(CC1)C 2230a_100000766693_100000210202 [0,1,0,1,0,0|1,0,1]=4 4511 B8R1.41 CCOCC1(CC1)C 7a_100000698024_100000210202 [0,1,0,1,0,0|1,0,1]=4 4512 B8R1.41 CCOCC1(CO1)C 34a_100121572206_100000760498 [0,1,0,1,0,0|0,0,2]=4 4513 B8R1.41 CCSCC1(CO1)C 62a_100000210202_100000760498 [0,1,0,1,0,0|0,0,2]=4 4514 B8R1.41 CCSCC1(CO1)C 62a_100000760498_100000210202 [0,1,0,1,0,0|0,0,2]=4 4515 B8R1.41 COCCC1(N=N1)C 34a_100009880064_200000210301 [0,1,0,1,0,0|2,0,0]=4 4516 B8R1.47 CCC1CN(C1)CC 2230a_100015205115_100000210202 [0,1,0,1,0,0|1,0,1]=4 4517 B8R1.47 CCC1CN(C1)CC 269982a_100015205115_100000204670 [0,1,0,1,0,0|1,0,1]=4 4518 B8R1.47 CCN1CC(C1)CF 269982a_100010363649_100000204670 [0,1,0,1,0,0|1,0,1]=4 4519 B8R1.47 CCN1CC(C1)CF 34a_100010363649_100000210202 [0,1,0,1,0,0|1,0,1]=4 4520 B8R1.47 CCN1CC(C1)CO 269982a_100016987283_100000204670 [0,1,0,1,0,0|0,0,2]=4 4521 B8R1.47 CCN1CC(C1)CO 34a_100016987283_100000210202 [0,1,0,1,0,0|0,0,2]=4 4522 B8R1.47 CCN1CC(C1)NC 2230a_200015199589_200000210301 [0,1,0,1,0,0|2,0,0]=4 4523 B8R1.47 CCN1CC(C1)N[13CH3] 2230a_200015199589_200025704644 [0,1,0,1,0,0|2,0,0]=4 4524 B8R1.47 CCN1CC(C1)OC 269982a_100000755009_100000204670 [0,1,0,1,0,0|2,0,0]=4 4525 B8R1.47 CCN1CC(C1)SC 269982a_100016990038_100000204670 [0,1,0,1,0,0|2,0,0]=4 4526 B8R1.47 CNC1CC(C1)C#N 270004a_106832991635_100000077199 [0,1,0,1,0,0|1,0,1]=4 4527 B8R1.47 CNC1CC(C1)CO 270004a_106832991635_100000101936 [0,1,0,1,0,0|0,0,2]=4 4528 B8R1.47 CN[C@H]1C[C@@H](C1)OC 2230a_100121570643_200000210301 [0,1,0,1,0,0|2,0,0]=4 4529 B8R1.47 CO[C@H]1C[C@@H](C1)N[13CH3] 2230a_100121570643_200025704644 [0,1,0,1,0,0|2,0,0]=4 4530 B8R1.47 CSC1CC(C1)CO 62a_100009874164_200000210301 [0,1,0,1,0,0|0,0,2]=4 4531 B8R1.47 CSC1CC(C1)CO 62a_200000210301_100009874164 [0,1,0,1,0,0|0,0,2]=4 4532 B8R1.47 [13CH3]SC1CC(C1)CO 62a_100009874164_200025704644 [0,1,0,1,0,0|0,0,2]=4 4533 B8R1.47 [13CH3]SC1CC(C1)CO 62a_200025704644_100009874164 [0,1,0,1,0,0|0,0,2]=4 4534 B8R1.50 CC1CCC(N1C)C 2230a_100000687148_200000210301 [0,1,0,1,0,0|2,0,0]=4 4535 B8R1.50 CC1CCC(N1C)C 269982a_100000687148_200000210301 [0,1,0,1,0,0|2,0,0]=4 4536 B8R1.50 CC1CCC(N1C)C 34a_100000687148_200000210301 [0,1,0,1,0,0|2,0,0]=4 4537 B8R1.50 CC1CCC(N1[13CH3])C 2230a_100000687148_200025704644 [0,1,0,1,0,0|2,0,0]=4 4538 B8R1.50 CC1CCC(N1[13CH3])C 269982a_100000687148_200025704644 [0,1,0,1,0,0|2,0,0]=4 4539 B8R1.50 CC1CCC(N1[13CH3])C 34a_100000687148_200025704644 [0,1,0,1,0,0|2,0,0]=4 4540 B8R1.52 CC1(CCCC1)O[13CH3] 34a_100000751722_200025704644 [0,1,0,1,0,0|2,0,0]=4 4541 B8R1.52 CC1(CCCC1)O[13CH3] 7a_100000751722_200025704644 [0,1,0,1,0,0|2,0,0]=4 4542 B8R1.52 CC1(CCOC1)N[13CH3] 2230a_100000693475_200025704644 [0,1,0,1,0,0|2,0,0]=4 4543 B8R1.52 CNC1(CCOC1)C 2230a_100000693475_200000210301 [0,1,0,1,0,0|2,0,0]=4 4544 B8R1.52 COC1(CCCC1)C 34a_100000751722_200000210301 [0,1,0,1,0,0|2,0,0]=4 4545 B8R1.52 COC1(CCCC1)C 7a_100000751722_200000210301 [0,1,0,1,0,0|2,0,0]=4 4546 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [0,1,0,1,0,0|0,0,2]=4 4547 B8R1.7 CC(=O)C1CC=CC1 1458a_100000759439_200000210301 [0,1,0,1,0,0|0,0,2]=4 4548 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [0,1,0,1,0,0|0,0,0]=2 4549 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [0,1,0,1,0,0|0,0,0]=2 4550 B8R1.7 CC(=O)C1CCCS1 1458a_100012002731_200000210301 [0,1,0,1,0,0|1,0,0]=3 4551 B8R1.7 CC(=O)C1CCOC1 1458a_100000070787_100000690089 [0,1,0,1,0,0|1,0,0]=3 4552 B8R1.7 CC(=O)C1CCOC1 1458a_100011219752_200000210301 [0,1,0,1,0,0|1,0,0]=3 4553 B8R1.7 CC(=O)N1CCCC1 240690a_100000188435_100015343762 [0,1,0,1,0,0|1,0,0]=3 4554 B8R1.7 CC(=O)N1CCCC1 527a_100000188435_100103153847 [0,1,0,1,0,0|1,0,0]=3 4555 B8R1.7 CC(=O)N1CCSC1 11a_100011215254_100015343762 [0,1,0,1,0,0|2,0,0]=4 4556 B8R1.7 CC(=O)N1CCSC1 240690a_100011215254_100015343762 [0,1,0,1,0,0|2,0,0]=4 4557 B8R1.7 CC(=O)N1CCSC1 527a_100011215254_100103153847 [0,1,0,1,0,0|2,0,0]=4 4558 B8R1.7 CC(=O)[C@@H]1CCCO1 1458a_100000686382_200000210301 [0,1,0,1,0,0|1,0,0]=3 4559 B8R1.7 CN(C)C1CCCC1 2230a_100000207505_200000210301 [0,1,0,1,0,0|2,0,0]=4 4560 B8R1.7 CN(C)C1CCCC1 2230a_100102631434_100000179811 [0,1,0,1,0,0|2,0,0]=4 4561 B8R1.7 CN(C)C1CCCC1 269982a_100000207505_200000210301 [0,1,0,1,0,0|2,0,0]=4 4562 B8R1.7 CN(C)C1CCCC1 269982a_100102631434_100000179811 [0,1,0,1,0,0|2,0,0]=4 4563 B8R1.7 CN(C)C1CCCC1 270004a_100102631434_100000210133 [0,1,0,1,0,0|2,0,0]=4 4564 B8R1.7 CN(C)C1CCCC1 34a_100000207505_200000210301 [0,1,0,1,0,0|2,0,0]=4 4565 B8R1.7 CN([13CH3])C1CCCC1 2230a_100000207505_200025704644 [0,1,0,1,0,0|2,0,0]=4 4566 B8R1.7 CN([13CH3])C1CCCC1 269982a_100000207505_200025704644 [0,1,0,1,0,0|2,0,0]=4 4567 B8R1.7 CN([13CH3])C1CCCC1 34a_100000207505_200025704644 [0,1,0,1,0,0|2,0,0]=4 4568 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [0,1,0,1,0,0|0,0,2]=4 4569 B8R1.7 [13CH3]C(=O)C1CC=CC1 1458a_100000759439_200025704644 [0,1,0,1,0,0|0,0,2]=4 4570 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [0,1,0,1,0,0|0,0,0]=2 4571 B8R1.7 [13CH3]C(=O)C1CCCS1 1458a_100012002731_200025704644 [0,1,0,1,0,0|1,0,0]=3 4572 B8R1.7 [13CH3]C(=O)C1CCOC1 1458a_100011219752_200025704644 [0,1,0,1,0,0|1,0,0]=3 4573 B8R1.7 [13CH3]C(=O)[C@@H]1CCCO1 1458a_100000686382_200025704644 [0,1,0,1,0,0|1,0,0]=3 4574 B8R1.19 CC1(CCCN1[13CH3])C 2230a_100000761399_200025704644 [0,1,0,1,0,0|2,0,0]=4 4575 B8R1.19 CC1(CCCN1[13CH3])C 269982a_100000761399_200025704644 [0,1,0,1,0,0|2,0,0]=4 4576 B8R1.19 CC1(CCCN1[13CH3])C 34a_100000761399_200025704644 [0,1,0,1,0,0|2,0,0]=4 4577 B8R1.19 CN1CCCC1(C)C 2230a_100000761399_200000210301 [0,1,0,1,0,0|2,0,0]=4 4578 B8R1.19 CN1CCCC1(C)C 269982a_100000761399_200000210301 [0,1,0,1,0,0|2,0,0]=4 4579 B8R1.19 CN1CCCC1(C)C 34a_100000761399_200000210301 [0,1,0,1,0,0|2,0,0]=4 4580 B8R1.23 C=C1CC(C1)C(=O)C 1458a_100000065620_200000210301 [0,1,0,1,0,0|0,0,2]=4 4581 B8R1.23 C=C1CC(C1)C(=O)[13CH3] 1458a_100000065620_200025704644 [0,1,0,1,0,0|0,0,2]=4 4582 B8R1.23 CC(=O)C1CC(C1)C 1458a_100000686124_200000210301 [0,1,0,1,0,0|0,0,0]=2 4583 B8R1.23 CC(=O)C1CC(C1)F 1458a_100000062598_200000210301 [0,1,0,1,0,0|1,0,0]=3 4584 B8R1.23 CC(=O)C1CN(C1)C 1458a_100012002723_200000210301 [0,1,0,1,0,0|1,0,0]=3 4585 B8R1.23 CC(=O)N1CC(C1)C 11a_100000702820_100015343762 [0,1,0,1,0,0|1,0,0]=3 4586 B8R1.23 CC(=O)N1CC(C1)C 240690a_100000702820_100015343762 [0,1,0,1,0,0|1,0,0]=3 4587 B8R1.23 CC(=O)N1CC(C1)C 527a_100000702820_100103153847 [0,1,0,1,0,0|1,0,0]=3 4588 B8R1.23 CC(=O)N1CC(C1)F 11a_100000690557_100015343762 [0,1,0,1,0,0|2,0,0]=4 4589 B8R1.23 CC(=O)N1CC(C1)F 240690a_100000690557_100015343762 [0,1,0,1,0,0|2,0,0]=4 4590 B8R1.23 CC(=O)N1CC(C1)F 527a_100000690557_100103153847 [0,1,0,1,0,0|2,0,0]=4 4591 B8R1.23 CC(=O)N1CC(C1)O 11a_100000749847_100015343762 [0,1,0,1,0,0|2,0,0]=4 4592 B8R1.23 CC(=O)N1CC(C1)O 240690a_100000749847_100015343762 [0,1,0,1,0,0|2,0,0]=4 4593 B8R1.23 CC(=O)N1CC(C1)O 527a_100000749847_100103153847 [0,1,0,1,0,0|2,0,0]=4 4594 B8R1.23 CC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_200000210301 [0,1,0,1,0,0|1,0,0]=3 4595 B8R1.23 CC1CC(C1)C(=O)[13CH3] 1458a_100000686124_200025704644 [0,1,0,1,0,0|0,0,0]=2 4596 B8R1.23 CN1CC(C1)C(=O)N 34a_100025753142_200000210301 [0,1,0,1,0,0|1,0,0]=3 4597 B8R1.23 CN1CC(C1)C(=O)[13CH3] 1458a_100012002723_200025704644 [0,1,0,1,0,0|1,0,0]=3 4598 B8R1.23 [13CH3]C(=O)C1CC(C1)F 1458a_100000062598_200025704644 [0,1,0,1,0,0|1,0,0]=3 4599 B8R1.23 [13CH3]C(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_200025704644 [0,1,0,1,0,0|1,0,0]=3 4600 B8R1.23 [13CH3]N1CC(C1)C(=O)N 34a_100025753142_200025704644 [0,1,0,1,0,0|1,0,0]=3 4601 B8R1.37 C=CCN(C)C1CC1 2230a_100000226674_100000210623 [0,1,0,1,0,0|2,0,0]=4 4602 B8R1.37 C=CCN(C)C1CC1 269982a_100000225617_100000211595 [0,1,0,1,0,0|2,0,0]=4 4603 B8R1.37 C=CCN(C)C1CC1 269982a_100000226674_100000210623 [0,1,0,1,0,0|2,0,0]=4 4604 B8R1.37 CC(NCF)C1CC1 34a_100000700016_100015361967 [0,1,0,1,0,0|1,0,1]=4 4605 B8R1.37 CC(OCF)C1CC1 34a_100000744524_100015361967 [0,1,0,1,0,0|1,0,1]=4 4606 B8R1.37 CC(OCF)C1CC1 7a_100000744524_100015361967 [0,1,0,1,0,0|1,0,1]=4 4607 B8R1.37 CCNC(C)C1CC1 2230a_100000700016_100000210202 [0,1,0,1,0,0|1,0,1]=4 4608 B8R1.37 CCNC(C)C1CC1 269862a_100015525214_100000210639 [0,1,0,1,0,0|1,0,1]=4 4609 B8R1.37 CCNC(C)C1CC1 34a_100000700016_100000210202 [0,1,0,1,0,0|1,0,1]=4 4610 B8R1.37 CCOC(C)C1CC1 34a_100000744524_100000210202 [0,1,0,1,0,0|1,0,1]=4 4611 B8R1.37 CCOC(C)C1CC1 7a_100000744524_100000210202 [0,1,0,1,0,0|1,0,1]=4 4612 B8R1.37 CN(CC=O)C1CC1 2230a_100000226674_200015260668 [0,1,0,1,0,0|1,0,0]=3 4613 B8R1.37 CN(CC=O)C1CC1 269982a_100000226674_200015260668 [0,1,0,1,0,0|1,0,0]=3 4614 B8R1.54 CC(=O)N(C)C1CC1 11a_100000226674_100015343762 [0,1,0,1,0,0|1,0,0]=3 4615 B8R1.54 CC(=O)N(C)C1CC1 1626a_100000226674_100015343762 [0,1,0,1,0,0|1,0,0]=3 4616 B8R1.54 CC(=O)N(C)C1CC1 240690a_100000226674_100015343762 [0,1,0,1,0,0|1,0,0]=3 4617 B8R1.54 CC(=O)N(C)C1CC1 527a_100000226674_100103153847 [0,1,0,1,0,0|1,0,0]=3 4618 B8R1.78 CC(=O)C1(CCC1)C 1458a_100000684636_200000210301 [0,1,0,1,0,0|0,0,0]=2 4619 B8R1.78 CC(=O)C1(CCC1)O 1458a_100000242746_200000210301 [0,1,0,1,0,0|1,0,0]=3 4620 B8R1.78 CC(=O)C1(COC1)C 1458a_100000094709_200000210301 [0,1,0,1,0,0|1,0,0]=3 4621 B8R1.78 CC(=O)C1(COC1)O 1458a_100010273515_200000210301 [0,1,0,1,0,0|2,0,0]=4 4622 B8R1.78 CC1(CCC1)C(=O)[13CH3] 1458a_100000684636_200025704644 [0,1,0,1,0,0|0,0,0]=2 4623 B8R1.78 CC1(COC1)C(=O)[13CH3] 1458a_100000094709_200025704644 [0,1,0,1,0,0|1,0,0]=3 4624 B8R1.78 [13CH3]C(=O)C1(CCC1)O 1458a_100000242746_200025704644 [0,1,0,1,0,0|1,0,0]=3 4625 B8R1.78 [13CH3]C(=O)C1(COC1)O 1458a_100010273515_200025704644 [0,1,0,1,0,0|2,0,0]=4 4626 B8R1.6 C=C1CC(C1)CNC 2230a_100102567296_200000210301 [0,1,0,1,0,0|2,0,0]=4 4627 B8R1.6 C=C1CC(C1)CNC 34a_100102567296_200000210301 [0,1,0,1,0,0|2,0,0]=4 4628 B8R1.6 C=C1CC(C1)CN[13CH3] 2230a_100102567296_200025704644 [0,1,0,1,0,0|2,0,0]=4 4629 B8R1.6 C=C1CC(C1)CN[13CH3] 34a_100102567296_200025704644 [0,1,0,1,0,0|2,0,0]=4 4630 B8R1.6 C=C1CC(C1)COC 34a_100011011225_200000210301 [0,1,0,1,0,0|2,0,0]=4 4631 B8R1.6 C=C1CC(C1)CO[13CH3] 34a_100011011225_200025704644 [0,1,0,1,0,0|2,0,0]=4 4632 B8R1.6 C=C1CC(C1)NCC 2230a_100132301982_100000210202 [0,1,0,1,0,0|2,0,0]=4 4633 B8R1.6 C=CCN1CC(C1)C 2230a_100000702820_100000210623 [0,1,0,1,0,0|2,0,0]=4 4634 B8R1.6 C=CCN1CC(C1)C 269982a_100000702820_100000210623 [0,1,0,1,0,0|2,0,0]=4 4635 B8R1.6 C=CCN1CC(C1)C 34a_100000702820_100015514636 [0,1,0,1,0,0|2,0,0]=4 4636 B8R1.6 CC1CN(C1)CC=O 2230a_100000702820_200015260668 [0,1,0,1,0,0|1,0,0]=3 4637 B8R1.6 CC1CN(C1)CC=O 269982a_100000702820_200015260668 [0,1,0,1,0,0|1,0,0]=3 4638 B8R1.6 CC1CN(C1)CC=O 34a_100000702820_200009817547 [0,1,0,1,0,0|1,0,0]=3 4639 B8R1.6 CCSC1CC(=O)C1 62a_100009894365_100000210202 [0,1,0,1,0,0|1,0,0]=3 4640 B8R1.6 CNCC1CC(=O)C1 2230a_106832991635_100009874392 [0,1,0,1,0,0|1,0,0]=3 4641 B8R1.6 CNCC1CC(=O)C1 7a_106832991635_100009874392 [0,1,0,1,0,0|1,0,0]=3 4642 B8R1.6 COCC1CC(=O)C1 34a_100000101936_200000210301 [0,1,0,1,0,0|1,0,0]=3 4643 B8R1.6 CSCC1CC(=O)C1 62a_100009874392_200000210301 [0,1,0,1,0,0|1,0,0]=3 4644 B8R1.6 CSCC1CC(=O)C1 62a_200000210301_100009874392 [0,1,0,1,0,0|1,0,0]=3 4645 B8R1.6 O=C1CC(C1)SCF 62a_100009894365_100015361967 [0,1,0,1,0,0|2,0,0]=4 4646 B8R1.6 O=CCN1CC(C1)F 2230a_100000690557_200015260668 [0,1,0,1,0,0|2,0,0]=4 4647 B8R1.6 O=CCN1CC(C1)F 269982a_100000690557_200015260668 [0,1,0,1,0,0|2,0,0]=4 4648 B8R1.6 O=CCN1CC(C1)F 34a_100000690557_200009817547 [0,1,0,1,0,0|2,0,0]=4 4649 B8R1.6 O=CCN1CC(C1)O 269982a_100000749847_200015260668 [0,1,0,1,0,0|2,0,0]=4 4650 B8R1.6 [13CH3]OCC1CC(=O)C1 34a_100000101936_200025704644 [0,1,0,1,0,0|1,0,0]=3 4651 B8R1.6 [13CH3]SCC1CC(=O)C1 62a_100009874392_200025704644 [0,1,0,1,0,0|1,0,0]=3 4652 B8R1.6 [13CH3]SCC1CC(=O)C1 62a_200025704644_100009874392 [0,1,0,1,0,0|1,0,0]=3 4653 B8R1.8 C=CCN1CCCC1 2230a_100000188435_100000210623 [0,1,0,1,0,0|2,0,0]=4 4654 B8R1.8 C=CCN1CCCC1 269982a_100000188435_100000210623 [0,1,0,1,0,0|2,0,0]=4 4655 B8R1.8 CCCN1CC=CC1 269982a_100015195280_100000210303 [0,1,0,1,0,0|2,0,0]=4 4656 B8R1.8 CCNC1CC=CC1 2230a_100015188752_100000210202 [0,1,0,1,0,0|2,0,0]=4 4657 B8R1.8 CCNC1CCCC1 2230a_100000211070_100000210202 [0,1,0,1,0,0|1,0,1]=4 4658 B8R1.8 CCNC1CCCC1 2230a_100015525214_100000179811 [0,1,0,1,0,0|1,0,1]=4 4659 B8R1.8 CCNC1CCCC1 270004a_100015525214_100000210133 [0,1,0,1,0,0|1,0,1]=4 4660 B8R1.8 CCNC1CCCC1 34a_100000211070_100000210202 [0,1,0,1,0,0|1,0,1]=4 4661 B8R1.8 CCOC1CCCC1 34a_100000210269_100000210202 [0,1,0,1,0,0|1,0,1]=4 4662 B8R1.8 CCOC1CCCC1 34a_100121572206_100000179811 [0,1,0,1,0,0|1,0,1]=4 4663 B8R1.8 CCOC1CCCC1 7a_100000210269_100000210202 [0,1,0,1,0,0|1,0,1]=4 4664 B8R1.8 CCSC1CCCC1 62a_100000210202_100000179811 [0,1,0,1,0,0|1,0,1]=4 4665 B8R1.8 CCSC1CCCC1 62a_100011217020_100000210202 [0,1,0,1,0,0|1,0,1]=4 4666 B8R1.8 CNCC1CCCC1 2230a_100000737975_200000210301 [0,1,0,1,0,0|1,0,1]=4 4667 B8R1.8 CNCC1CCCC1 2230a_106832991635_100000740388 [0,1,0,1,0,0|1,0,1]=4 4668 B8R1.8 CNCC1CCCC1 269862a_106832991636_100000746403 [0,1,0,1,0,0|1,0,1]=4 4669 B8R1.8 CNCC1CCCC1 34a_100000737975_200000210301 [0,1,0,1,0,0|1,0,1]=4 4670 B8R1.8 CNCC1CCCC1 34a_100102657272_100000740388 [0,1,0,1,0,0|1,0,1]=4 4671 B8R1.8 CNCC1CCCC1 7a_106832991635_100000740388 [0,1,0,1,0,0|1,0,1]=4 4672 B8R1.8 COCC1CC=CC1 34a_100000688395_200000210301 [0,1,0,1,0,0|2,0,0]=4 4673 B8R1.8 COCC1CCCC1 34a_100000742336_200000210301 [0,1,0,1,0,0|0,0,2]=4 4674 B8R1.8 COCC1CCCC1 34a_100138415774_100000740388 [0,1,0,1,0,0|0,0,2]=4 4675 B8R1.8 COCC1CCCC1 7a_100000742336_200000210301 [0,1,0,1,0,0|0,0,2]=4 4676 B8R1.8 CSCC1CCCC1 62a_100000740388_200000210301 [0,1,0,1,0,0|0,1,1]=4 4677 B8R1.8 CSCC1CCCC1 62a_200000210301_100000740388 [0,1,0,1,0,0|0,1,1]=4 4678 B8R1.8 FCNC1CCCC1 34a_100000211070_100015361967 [0,1,0,1,0,0|1,0,1]=4 4679 B8R1.8 FCOC1CCCC1 34a_100000210269_100015361967 [0,1,0,1,0,0|1,0,1]=4 4680 B8R1.8 FCOC1CCCC1 7a_100000210269_100015361967 [0,1,0,1,0,0|1,0,1]=4 4681 B8R1.8 FCSC1CCCC1 62a_100011217020_100015361967 [0,1,0,1,0,0|1,0,1]=4 4682 B8R1.8 FCSC1CCCC1 62a_100015361967_100000179811 [0,1,0,1,0,0|1,0,1]=4 4683 B8R1.8 O=CCN1CCCC1 2230a_100000188435_200015260668 [0,1,0,1,0,0|1,0,0]=3 4684 B8R1.8 O=CCN1CCCC1 269982a_100000188435_200015260668 [0,1,0,1,0,0|1,0,0]=3 4685 B8R1.8 O=CCN1CCSC1 2230a_100011215254_200015260668 [0,1,0,1,0,0|2,0,0]=4 4686 B8R1.8 O=CCN1CCSC1 269982a_100011215254_200015260668 [0,1,0,1,0,0|2,0,0]=4 4687 B8R1.8 [13CH3]NCC1CCCC1 2230a_100000737975_200025704644 [0,1,0,1,0,0|1,0,1]=4 4688 B8R1.8 [13CH3]NCC1CCCC1 34a_100000737975_200025704644 [0,1,0,1,0,0|1,0,1]=4 4689 B8R1.8 [13CH3]OCC1CC=CC1 34a_100000688395_200025704644 [0,1,0,1,0,0|2,0,0]=4 4690 B8R1.8 [13CH3]OCC1CCCC1 34a_100000742336_200025704644 [0,1,0,1,0,0|0,0,2]=4 4691 B8R1.8 [13CH3]OCC1CCCC1 7a_100000742336_200025704644 [0,1,0,1,0,0|0,0,2]=4 4692 B8R1.8 [13CH3]SCC1CCCC1 62a_100000740388_200025704644 [0,1,0,1,0,0|0,1,1]=4 4693 B8R1.8 [13CH3]SCC1CCCC1 62a_200025704644_100000740388 [0,1,0,1,0,0|0,1,1]=4 4694 B8R1.11 CC1CCCC1O[13CH3] 34a_100011216460_200025704644 [0,1,0,1,0,0|0,0,2]=4 4695 B8R1.11 CC1CCCC1O[13CH3] 7a_100011216460_200025704644 [0,1,0,1,0,0|0,0,2]=4 4696 B8R1.11 CCC1C=CCN1C 2230a_100000730860_200000210301 [0,1,0,1,0,0|2,0,0]=4 4697 B8R1.11 CCC1C=CCN1C 269982a_100000730860_200000210301 [0,1,0,1,0,0|2,0,0]=4 4698 B8R1.11 CCC1C=CCN1C 34a_100000730860_200000210301 [0,1,0,1,0,0|2,0,0]=4 4699 B8R1.11 CCC1C=CCN1[13CH3] 2230a_100000730860_200025704644 [0,1,0,1,0,0|2,0,0]=4 4700 B8R1.11 CCC1C=CCN1[13CH3] 269982a_100000730860_200025704644 [0,1,0,1,0,0|2,0,0]=4 4701 B8R1.11 CCC1C=CCN1[13CH3] 34a_100000730860_200025704644 [0,1,0,1,0,0|2,0,0]=4 4702 B8R1.11 CCC1CCCN1C 2230a_100000754278_200000210301 [0,1,0,1,0,0|1,0,1]=4 4703 B8R1.11 CCC1CCCN1C 269982a_100000754278_200000210301 [0,1,0,1,0,0|1,0,1]=4 4704 B8R1.11 CCC1CCCN1C 34a_100000754278_200000210301 [0,1,0,1,0,0|1,0,1]=4 4705 B8R1.11 CCC1CCCN1[13CH3] 2230a_100000754278_200025704644 [0,1,0,1,0,0|1,0,1]=4 4706 B8R1.11 CCC1CCCN1[13CH3] 269982a_100000754278_200025704644 [0,1,0,1,0,0|1,0,1]=4 4707 B8R1.11 CCC1CCCN1[13CH3] 34a_100000754278_200025704644 [0,1,0,1,0,0|1,0,1]=4 4708 B8R1.11 CCN1CCC[C@@H]1C 2230a_100020605311_100000210202 [0,1,0,1,0,0|1,0,1]=4 4709 B8R1.11 CCN1CCC[C@@H]1C 269982a_100020605311_100000204670 [0,1,0,1,0,0|1,0,1]=4 4710 B8R1.11 CCN1CCC[C@H]1C 2230a_100015189458_100000210202 [0,1,0,1,0,0|1,0,1]=4 4711 B8R1.11 CCN1CCC[C@H]1C 269982a_100015189458_100000204670 [0,1,0,1,0,0|1,0,1]=4 4712 B8R1.11 CCN1CCC[C@H]1C 34a_100015189458_100000210202 [0,1,0,1,0,0|1,0,1]=4 4713 B8R1.11 CN1CCCC1C#N 2230a_100000701862_200000210301 [0,1,0,1,0,0|1,0,1]=4 4714 B8R1.11 CN1CCC[C@@H]1C#N 2230a_106645074975_200000210301 [0,1,0,1,0,0|1,0,1]=4 4715 B8R1.11 CN1CCC[C@@H]1C#N 269982a_106645074975_200000210301 [0,1,0,1,0,0|1,0,1]=4 4716 B8R1.11 CN1CCC[C@@H]1CO 2230a_100000745186_200000210301 [0,1,0,1,0,0|0,0,2]=4 4717 B8R1.11 CN1CCC[C@@H]1CO 269982a_100000745186_200000210301 [0,1,0,1,0,0|0,0,2]=4 4718 B8R1.11 CN1CCC[C@@H]1CO 34a_100000745186_200000210301 [0,1,0,1,0,0|0,0,2]=4 4719 B8R1.11 CNC1CCCC1=O 2230a_106832991635_100000211823 [0,1,0,1,0,0|0,0,0]=2 4720 B8R1.11 CNC1CCCC1=O 34a_100102657272_100000709159 [0,1,0,1,0,0|0,0,0]=2 4721 B8R1.11 CNC1CCCC1=O 7a_106832991635_100000211823 [0,1,0,1,0,0|0,0,0]=2 4722 B8R1.11 CNC1CCCC1C 269862a_106832991636_100000752053 [0,1,0,1,0,0|1,0,1]=4 4723 B8R1.11 CNC1CCNC1=O 2230a_100016995588_200000210301 [0,1,0,1,0,0|1,0,0]=3 4724 B8R1.11 CNC1CCNC1=O 34a_100016995588_200000210301 [0,1,0,1,0,0|1,0,0]=3 4725 B8R1.11 CNC1CCOC1=O 2230a_106832991635_100000211211 [0,1,0,1,0,0|1,0,0]=3 4726 B8R1.11 CNC1CCOC1=O 34a_100102657272_100000211211 [0,1,0,1,0,0|1,0,0]=3 4727 B8R1.11 CNC1CCOC1=O 7a_106832991635_100000211211 [0,1,0,1,0,0|1,0,0]=3 4728 B8R1.11 CN[C@@H]1CONC1=O 2230a_100000765999_200000210301 [0,1,0,1,0,0|2,0,0]=4 4729 B8R1.11 CN[C@@H]1CONC1=O 34a_100000765999_200000210301 [0,1,0,1,0,0|2,0,0]=4 4730 B8R1.11 COC1CCCC1=O 34a_100138415774_100000709159 [0,1,0,1,0,0|0,0,0]=2 4731 B8R1.11 COC1CCCC1=O 34a_200000719330_200000210301 [0,1,0,1,0,0|0,0,0]=2 4732 B8R1.11 COC1CCCC1C 34a_100011216460_200000210301 [0,1,0,1,0,0|0,0,2]=4 4733 B8R1.11 COC1CCCC1C 7a_100011216460_200000210301 [0,1,0,1,0,0|0,0,2]=4 4734 B8R1.11 COC1CCOC1=O 34a_100138415774_100000211211 [0,1,0,1,0,0|1,0,0]=3 4735 B8R1.11 CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_200000210301 [0,1,0,1,0,0|1,0,1]=4 4736 B8R1.11 CO[C@H]1CCC[C@@H]1N 34a_100000748460_200000210301 [0,1,0,1,0,0|1,0,1]=4 4737 B8R1.11 CO[C@H]1CCNC1=O 34a_100000688343_200000210301 [0,1,0,1,0,0|1,0,0]=3 4738 B8R1.11 CSC1CCCC1=O 62a_100000211823_200000210301 [0,1,0,1,0,0|0,0,0]=2 4739 B8R1.11 CSC1CCCC1=O 62a_200000210301_100000211823 [0,1,0,1,0,0|0,0,0]=2 4740 B8R1.11 CSC1CCOC1=O 62a_100000211211_200000210301 [0,1,0,1,0,0|1,0,0]=3 4741 B8R1.11 CSC1CCOC1=O 62a_200000210301_100000211211 [0,1,0,1,0,0|1,0,0]=3 4742 B8R1.11 CS[C@@H]1CCC[C@H]1O 62a_200000210301_200016002552 [0,1,0,1,0,0|0,0,2]=4 4743 B8R1.11 CS[C@@H]1CCC[C@H]1O 62a_200016002552_200000210301 [0,1,0,1,0,0|0,0,2]=4 4744 B8R1.11 C[C@@H]1CCCN1CF 269982a_100015189458_100015361967 [0,1,0,1,0,0|1,0,1]=4 4745 B8R1.11 C[C@@H]1CCCN1CF 34a_100015189458_100015361967 [0,1,0,1,0,0|1,0,1]=4 4746 B8R1.11 C[C@H]1CCCN1CF 269982a_100020605311_100015361967 [0,1,0,1,0,0|1,0,1]=4 4747 B8R1.11 [13CH3]N1CCCC1C#N 2230a_100000701862_200025704644 [0,1,0,1,0,0|1,0,1]=4 4748 B8R1.11 [13CH3]N1CCC[C@@H]1C#N 2230a_106645074975_200025704644 [0,1,0,1,0,0|1,0,1]=4 4749 B8R1.11 [13CH3]N1CCC[C@@H]1C#N 269982a_106645074975_200025704644 [0,1,0,1,0,0|1,0,1]=4 4750 B8R1.11 [13CH3]N1CCC[C@@H]1CO 2230a_100000745186_200025704644 [0,1,0,1,0,0|0,0,2]=4 4751 B8R1.11 [13CH3]N1CCC[C@@H]1CO 269982a_100000745186_200025704644 [0,1,0,1,0,0|0,0,2]=4 4752 B8R1.11 [13CH3]N1CCC[C@@H]1CO 34a_100000745186_200025704644 [0,1,0,1,0,0|0,0,2]=4 4753 B8R1.11 [13CH3]NC1CCNC1=O 2230a_100016995588_200025704644 [0,1,0,1,0,0|1,0,0]=3 4754 B8R1.11 [13CH3]NC1CCNC1=O 34a_100016995588_200025704644 [0,1,0,1,0,0|1,0,0]=3 4755 B8R1.11 [13CH3]N[C@@H]1CONC1=O 2230a_100000765999_200025704644 [0,1,0,1,0,0|2,0,0]=4 4756 B8R1.11 [13CH3]N[C@@H]1CONC1=O 34a_100000765999_200025704644 [0,1,0,1,0,0|2,0,0]=4 4757 B8R1.11 [13CH3]OC1CCCC1=O 34a_200000719330_200025704644 [0,1,0,1,0,0|0,0,0]=2 4758 B8R1.11 [13CH3]O[C@@H]1CCC[C@H]1Cl 34a_200016002552_200025704644 [0,1,0,1,0,0|1,0,1]=4 4759 B8R1.11 [13CH3]O[C@H]1CCC[C@@H]1N 34a_100000748460_200025704644 [0,1,0,1,0,0|1,0,1]=4 4760 B8R1.11 [13CH3]O[C@H]1CCNC1=O 34a_100000688343_200025704644 [0,1,0,1,0,0|1,0,0]=3 4761 B8R1.11 [13CH3]SC1CCCC1=O 62a_100000211823_200025704644 [0,1,0,1,0,0|0,0,0]=2 4762 B8R1.11 [13CH3]SC1CCCC1=O 62a_200025704644_100000211823 [0,1,0,1,0,0|0,0,0]=2 4763 B8R1.11 [13CH3]SC1CCOC1=O 62a_100000211211_200025704644 [0,1,0,1,0,0|1,0,0]=3 4764 B8R1.11 [13CH3]SC1CCOC1=O 62a_200025704644_100000211211 [0,1,0,1,0,0|1,0,0]=3 4765 B8R1.11 [13CH3]S[C@@H]1CCC[C@H]1O 62a_200016002552_200025704644 [0,1,0,1,0,0|0,0,2]=4 4766 B8R1.11 [13CH3]S[C@@H]1CCC[C@H]1O 62a_200025704644_200016002552 [0,1,0,1,0,0|0,0,2]=4 4767 B8R1.66 CC1(CCC1)CN[13CH3] 2230a_100000706607_200025704644 [0,1,0,1,0,0|1,0,1]=4 4768 B8R1.66 CC1(CCC1)CS[13CH3] 62a_100000726658_200025704644 [0,1,0,1,0,0|0,1,1]=4 4769 B8R1.66 CC1(CCC1)CS[13CH3] 62a_200025704644_100000726658 [0,1,0,1,0,0|0,1,1]=4 4770 B8R1.66 CC1(CCC1)NCF 34a_100000692455_100015361967 [0,1,0,1,0,0|1,0,1]=4 4771 B8R1.66 CC1(CCC1)OCF 34a_100000759064_100015361967 [0,1,0,1,0,0|1,0,1]=4 4772 B8R1.66 CC1(CCC1)OCF 7a_100000759064_100015361967 [0,1,0,1,0,0|1,0,1]=4 4773 B8R1.66 CCNC1(CCC1)C 2230a_100000692455_100000210202 [0,1,0,1,0,0|1,0,1]=4 4774 B8R1.66 CCNC1(CCC1)C 34a_100000692455_100000210202 [0,1,0,1,0,0|1,0,1]=4 4775 B8R1.66 CCOC1(CCC1)C 34a_100000759064_100000210202 [0,1,0,1,0,0|1,0,1]=4 4776 B8R1.66 CCOC1(CCC1)C 7a_100000759064_100000210202 [0,1,0,1,0,0|1,0,1]=4 4777 B8R1.66 CNCC1(CCC1)C 2230a_100000706607_200000210301 [0,1,0,1,0,0|1,0,1]=4 4778 B8R1.66 CNCC1(CCC1)C 2230a_106832991635_100000726658 [0,1,0,1,0,0|1,0,1]=4 4779 B8R1.66 CNCC1(CCC1)C 34a_100102657272_100000726658 [0,1,0,1,0,0|1,0,1]=4 4780 B8R1.66 CNCC1(CCC1)C 7a_106832991635_100000726658 [0,1,0,1,0,0|1,0,1]=4 4781 B8R1.66 COCC1(CCC1)C 34a_100138415774_100000726658 [0,1,0,1,0,0|0,0,2]=4 4782 B8R1.66 CSCC1(CCC1)C 62a_100000726658_200000210301 [0,1,0,1,0,0|0,1,1]=4 4783 B8R1.66 CSCC1(CCC1)C 62a_200000210301_100000726658 [0,1,0,1,0,0|0,1,1]=4 4784 B8R1.39 CNC(C)C1(CC1)C 269862a_106832991636_100000184723 [0,1,0,1,0,0|2,0,0]=4 4785 B8R1.39 CNC(C)C1(CC1)F 269862a_106832991636_100000052362 [0,1,0,1,0,0|2,0,0]=4 4786 B8R1.28 CC(C)(N[13CH3])C1CC1 2230a_100000695267_200025704644 [0,1,0,1,0,0|2,0,0]=4 4787 B8R1.28 CNC(C)(C)C1CC1 2230a_100000695267_200000210301 [0,1,0,1,0,0|2,0,0]=4 4788 B8R1.82 CCCC1(CC1)NC 2230a_100015185929_200000210301 [0,1,0,1,0,0|1,0,1]=4 4789 B8R1.82 CCCC1(CC1)N[13CH3] 2230a_100015185929_200025704644 [0,1,0,1,0,0|1,0,1]=4 4790 B8R1.33 CCC(NC)C1CC1 2230a_100025715781_200000210301 [0,1,0,1,0,0|1,0,1]=4 4791 B8R1.33 CCC(NC)C1CC1 269862a_106832991636_100000759681 [0,1,0,1,0,0|1,0,1]=4 4792 B8R1.33 CCC(NC)C1CC1 34a_100025715781_200000210301 [0,1,0,1,0,0|1,0,1]=4 4793 B8R1.33 CCC(N[13CH3])C1CC1 2230a_100025715781_200025704644 [0,1,0,1,0,0|1,0,1]=4 4794 B8R1.33 CCC(N[13CH3])C1CC1 34a_100025715781_200025704644 [0,1,0,1,0,0|1,0,1]=4 4795 B8R1.33 CCC(OC)C1CC1 34a_100011351122_200000210301 [0,1,0,1,0,0|1,0,1]=4 4796 B8R1.33 CCC(OC)C1CC1 7a_100011351122_200000210301 [0,1,0,1,0,0|1,0,1]=4 4797 B8R1.33 CCC(O[13CH3])C1CC1 34a_100011351122_200025704644 [0,1,0,1,0,0|1,0,1]=4 4798 B8R1.33 CCC(O[13CH3])C1CC1 7a_100011351122_200025704644 [0,1,0,1,0,0|1,0,1]=4 4799 B8R1.33 CN[C@@H](CO)C1CC1 2230a_100020623730_200000210301 [0,1,0,1,0,0|0,0,2]=4 4800 B8R1.33 CN[C@@H](CO)C1CC1 34a_100020623730_200000210301 [0,1,0,1,0,0|0,0,2]=4 4801 B8R1.33 COC(CN)C1CC1 34a_100000751198_200000210301 [0,1,0,1,0,0|1,0,1]=4 4802 B8R1.33 [13CH3]N[C@@H](CO)C1CC1 2230a_100020623730_200025704644 [0,1,0,1,0,0|0,0,2]=4 4803 B8R1.33 [13CH3]N[C@@H](CO)C1CC1 34a_100020623730_200025704644 [0,1,0,1,0,0|0,0,2]=4 4804 B8R1.33 [13CH3]OC(CN)C1CC1 34a_100000751198_200025704644 [0,1,0,1,0,0|1,0,1]=4 4805 B8R1.60 C=CC1(COC1)OC 34a_100000118599_200000210301 [0,1,0,1,0,0|2,0,0]=4 4806 B8R1.60 C=CC1(COC1)OC 7a_100000118599_200000210301 [0,1,0,1,0,0|2,0,0]=4 4807 B8R1.60 C=CC1(COC1)O[13CH3] 34a_100000118599_200025704644 [0,1,0,1,0,0|2,0,0]=4 4808 B8R1.60 C=CC1(COC1)O[13CH3] 7a_100000118599_200025704644 [0,1,0,1,0,0|2,0,0]=4 4809 B8R1.60 CNC1(CCC1)C#N 34a_100000739455_200000210301 [0,1,0,1,0,0|1,0,1]=4 4810 B8R1.60 CNC1(CCC1)CO 2230a_100016993734_200000210301 [0,1,0,1,0,0|0,0,2]=4 4811 B8R1.60 [13CH3]NC1(CCC1)C#N 34a_100000739455_200025704644 [0,1,0,1,0,0|1,0,1]=4 4812 B8R1.60 [13CH3]NC1(CCC1)CO 2230a_100016993734_200025704644 [0,1,0,1,0,0|0,0,2]=4