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|2,0,2]=4 2 B6R0.1 C#CC(C)NCC 34a_100000707721_100000210202 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.1 C#CC(C)OCC 34a_100121572206_200000035995 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.1 C#CC(C)SCC 62a_200000035995_100000210202 [0,0,0,0,0,0|2,0,2]=4 5 B6R0.1 C#C[C@@H](C)OCC 34a_100009815206_100000210202 [0,0,0,0,0,0|2,0,2]=4 6 B6R0.1 C#C[C@@H](C)OCC 7a_100009815206_100000210202 [0,0,0,0,0,0|2,0,2]=4 7 B6R0.1 C/C=C/C(C)OC 34a_200102604097_200000210301 [0,0,0,0,0,0|2,0,2]=4 8 B6R0.1 C/C=C/C(C)O[13CH3] 34a_200102604097_200025704644 [0,0,0,0,0,0|2,0,2]=4 9 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [0,0,0,0,0,0|2,0,1]=3 10 B6R0.1 C=CC(=O)CCF 1458a_100000185746_100011217306 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.1 C=CC(=O)CCO 1458a_100000185746_100000211926 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.1 C=CC(=O)NCC 240690a_100015525214_200121576911 [0,0,0,0,0,0|3,0,0]=3 13 B6R0.1 C=CC(=O)NNC 22a_100016993582_100000185746 [0,0,0,0,0,0|4,0,0]=4 14 B6R0.1 C=CC(C)COC 34a_100011215527_200000210301 [0,0,0,0,0,0|2,0,2]=4 15 B6R0.1 C=CC(C)COC 7a_100011215527_200000210301 [0,0,0,0,0,0|2,0,2]=4 16 B6R0.1 C=CC(C)CO[13CH3] 34a_100011215527_200025704644 [0,0,0,0,0,0|2,0,2]=4 17 B6R0.1 C=CC(C)CO[13CH3] 7a_100011215527_200025704644 [0,0,0,0,0,0|2,0,2]=4 18 B6R0.1 C=CC(C)OCC 34a_100000695699_100000210202 [0,0,0,0,0,0|2,0,1]=3 19 B6R0.1 C=CC(C)OCF 34a_100000695699_100015361967 [0,0,0,0,0,0|3,0,1]=4 20 B6R0.1 C=CC(C)SCC 62a_100011215867_100000210202 [0,0,0,0,0,0|2,0,1]=3 21 B6R0.1 C=CC(C)SCF 62a_100011215867_100015361967 [0,0,0,0,0,0|3,0,1]=4 22 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [0,0,0,0,0,0|2,0,2]=4 23 B6R0.1 CC=CC(=O)CF 1458a_100000210699_100015361967 [0,0,0,0,0,0|2,0,2]=4 24 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [0,0,0,0,0,0|3,0,1]=4 25 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [0,0,0,0,0,0|3,0,1]=4 26 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [0,0,0,0,0,0|3,0,1]=4 27 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [0,0,0,0,0,0|2,0,2]=4 28 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [0,0,0,0,0,0|2,0,2]=4 29 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [0,0,0,0,0,0|2,0,2]=4 30 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [0,0,0,0,0,0|1,0,3]=4 31 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [0,0,0,0,0,0|3,0,1]=4 32 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [0,0,0,0,0,0|3,0,1]=4 33 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [0,0,0,0,0,0|3,0,1]=4 34 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [0,0,0,0,0,0|3,0,1]=4 35 B6R0.1 CCCC(C)NC 2230a_100000741246_200000210301 [0,0,0,0,0,0|2,0,2]=4 36 B6R0.1 CCCC(C)NC 2230a_106832991635_100000766640 [0,0,0,0,0,0|2,0,2]=4 37 B6R0.1 CCCC(C)NC 270004a_106832991635_100000211909 [0,0,0,0,0,0|2,0,2]=4 38 B6R0.1 CCCC(C)NC 34a_100102657272_100000766640 [0,0,0,0,0,0|2,0,2]=4 39 B6R0.1 CCCC(C)NC 7a_106832991635_100000766640 [0,0,0,0,0,0|2,0,2]=4 40 B6R0.1 CCCC(C)N[13CH3] 2230a_100000741246_200025704644 [0,0,0,0,0,0|2,0,2]=4 41 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [0,0,0,0,0,0|2,0,2]=4 42 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [0,0,0,0,0,0|2,0,2]=4 43 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [0,0,0,0,0,0|2,0,2]=4 44 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [0,0,0,0,0,0|2,0,2]=4 45 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [0,0,0,0,0,0|2,0,2]=4 46 B6R0.1 CCCC(C)SC 62a_100000766640_200000210301 [0,0,0,0,0,0|2,0,2]=4 47 B6R0.1 CCCC(C)SC 62a_200000210301_100000766640 [0,0,0,0,0,0|2,0,2]=4 48 B6R0.1 CCCC(C)S[13CH3] 62a_100000766640_200025704644 [0,0,0,0,0,0|2,0,2]=4 49 B6R0.1 CCCC(C)S[13CH3] 62a_200025704644_100000766640 [0,0,0,0,0,0|2,0,2]=4 50 B6R0.1 CCCN(C)CC 2230a_100000225621_100000210303 [0,0,0,0,0,0|2,0,2]=4 51 B6R0.1 CCCN(C)CC 2230a_100000226822_200000210301 [0,0,0,0,0,0|2,0,2]=4 52 B6R0.1 CCCN(C)CC 2230a_100000747261_100000210202 [0,0,0,0,0,0|2,0,2]=4 53 B6R0.1 CCCN(C)CC 269982a_100000225621_100000210303 [0,0,0,0,0,0|2,0,2]=4 54 B6R0.1 CCCN(C)CC 269982a_100000226822_200000210301 [0,0,0,0,0,0|2,0,2]=4 55 B6R0.1 CCCN(C)CC 269982a_100000747261_100000204670 [0,0,0,0,0,0|2,0,2]=4 56 B6R0.1 CCCN(C)CF 269982a_100000747261_100015361967 [0,0,0,0,0,0|2,0,2]=4 57 B6R0.1 CCCN([13CH3])CC 2230a_100000226822_200025704644 [0,0,0,0,0,0|2,0,2]=4 58 B6R0.1 CCCN([13CH3])CC 269982a_100000226822_200025704644 [0,0,0,0,0,0|2,0,2]=4 59 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [0,0,0,0,0,0|3,0,1]=4 60 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [0,0,0,0,0,0|3,0,1]=4 61 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [0,0,0,0,0,0|3,0,1]=4 62 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [0,0,0,0,0,0|2,0,2]=4 63 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [0,0,0,0,0,0|2,0,2]=4 64 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [0,0,0,0,0,0|4,0,0]=4 65 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [0,0,0,0,0,0|4,0,0]=4 66 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [0,0,0,0,0,0|4,0,0]=4 67 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [0,0,0,0,0,0|4,0,0]=4 68 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [0,0,0,0,0,0|4,0,0]=4 69 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [0,0,0,0,0,0|4,0,0]=4 70 B6R0.1 CCNC(C)C#N 2230a_100000737613_100000210202 [0,0,0,0,0,0|2,0,2]=4 71 B6R0.1 CCNC(C)C#N 2230a_100015525214_100000184139 [0,0,0,0,0,0|2,0,2]=4 72 B6R0.1 CCNC(C)CC 2230a_100000209981_100000210202 [0,0,0,0,0,0|2,0,2]=4 73 B6R0.1 CCNC(C)CC 2230a_100015525214_100000758301 [0,0,0,0,0,0|2,0,2]=4 74 B6R0.1 CCNC(C)CO 2230a_100015525214_100012180447 [0,0,0,0,0,0|1,0,3]=4 75 B6R0.1 CCN[C@H](C)CO 2230a_100000737577_100000210202 [0,0,0,0,0,0|1,0,3]=4 76 B6R0.1 CCOC(C)C#N 34a_100011218135_100000210202 [0,0,0,0,0,0|2,0,2]=4 77 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [0,0,0,0,0,0|2,0,2]=4 78 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [0,0,0,0,0,0|2,0,2]=4 79 B6R0.1 CCOC(C)CF 34a_100016041109_100000210202 [0,0,0,0,0,0|2,0,2]=4 80 B6R0.1 CCOC(C)CF 7a_100016041109_100000210202 [0,0,0,0,0,0|2,0,2]=4 81 B6R0.1 CCOC(C)CN 34a_100000210904_100000210202 [0,0,0,0,0,0|2,0,2]=4 82 B6R0.1 CCOC(C)CO 34a_100121572206_100012180447 [0,0,0,0,0,0|1,0,3]=4 83 B6R0.1 CCSC(C)C#N 62a_100000210202_100000703298 [0,0,0,0,0,0|2,0,2]=4 84 B6R0.1 CCSC(C)C#N 62a_100000703298_100000210202 [0,0,0,0,0,0|2,0,2]=4 85 B6R0.1 CCSC(C)CC 62a_100000210202_100000758301 [0,0,0,0,0,0|2,0,2]=4 86 B6R0.1 CCSC(C)CC 62a_100000758301_100000210202 [0,0,0,0,0,0|2,0,2]=4 87 B6R0.1 CCSC(C)CO 62a_100012180447_100000210202 [0,0,0,0,0,0|1,0,3]=4 88 B6R0.1 CCSC(C)OC 62a_100000210202_100009879195 [0,0,0,0,0,0|3,0,1]=4 89 B6R0.1 CCSC(C)OC 62a_100009879195_100000210202 [0,0,0,0,0,0|3,0,1]=4 90 B6R0.1 CCS[C@H](C)CO 62a_100000210202_100016084084 [0,0,0,0,0,0|1,0,3]=4 91 B6R0.1 CCS[C@H](C)CO 62a_100016084084_100000210202 [0,0,0,0,0,0|1,0,3]=4 92 B5R0.1 C#CCC(=O)C 1458a_100000070787_100000184674 [1,0,0,0,0,0|0,0,3]=4 93 B5R0.1 C#CCC(=O)C 1458a_100011220946_200000210301 [1,0,0,0,0,0|0,0,3]=4 94 B5R0.1 C#CCC(=O)[13CH3] 1458a_100011220946_200025704644 [1,0,0,0,0,0|0,0,3]=4 95 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [1,0,0,0,0,0|1,0,1]=3 96 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [1,0,0,0,0,0|1,0,1]=3 97 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [1,0,0,0,0,0|1,0,1]=3 98 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [1,0,0,0,0,0|1,0,1]=3 99 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [1,0,0,0,0,0|1,0,1]=3 100 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [1,0,0,0,0,0|1,0,1]=3 101 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [1,0,0,0,0,0|1,0,1]=3 102 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [1,0,0,0,0,0|1,0,1]=3 103 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [1,0,0,0,0,0|1,0,1]=3 104 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [1,0,0,0,0,0|1,0,1]=3 105 B5R0.1 C=C(F)CNC 2230a_106832991635_100009893438 [1,0,0,0,0,0|2,0,1]=4 106 B5R0.1 C=C(F)CNC 34a_100102657272_100009893438 [1,0,0,0,0,0|2,0,1]=4 107 B5R0.1 C=C(F)CNC 7a_106832991635_100000042424 [1,0,0,0,0,0|2,0,1]=4 108 B5R0.1 C=C(F)COC 34a_100138415774_100009893438 [1,0,0,0,0,0|2,0,1]=4 109 B5R0.1 C=C(F)COC 34a_200010262243_200000210301 [1,0,0,0,0,0|2,0,1]=4 110 B5R0.1 C=C(F)CO[13CH3] 34a_200010262243_200025704644 [1,0,0,0,0,0|2,0,1]=4 111 B5R0.1 C=C(F)CSC 62a_100000042424_200000210301 [1,0,0,0,0,0|2,0,1]=4 112 B5R0.1 C=C(F)CSC 62a_200000210301_100000042424 [1,0,0,0,0,0|2,0,1]=4 113 B5R0.1 C=C(F)CS[13CH3] 62a_100000042424_200025704644 [1,0,0,0,0,0|2,0,1]=4 114 B5R0.1 C=C(F)CS[13CH3] 62a_200025704644_100000042424 [1,0,0,0,0,0|2,0,1]=4 115 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [1,0,0,0,0,0|0,0,3]=4 116 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [1,0,0,0,0,0|0,0,3]=4 117 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [1,0,0,0,0,0|0,0,3]=4 118 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [1,0,0,0,0,0|0,0,2]=3 119 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [1,0,0,0,0,0|0,0,2]=3 120 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [1,0,0,0,0,0|1,0,1]=3 121 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [1,0,0,0,0,0|1,0,1]=3 122 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [1,0,0,0,0,0|1,0,1]=3 123 B5R0.1 CC(=O)CC#N 1458a_100000070787_100011214920 [1,0,0,0,0,0|1,0,2]=4 124 B5R0.1 CC(=O)CC#N 1458a_100051588842_200000210301 [1,0,0,0,0,0|1,0,2]=4 125 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [1,0,0,0,0,0|1,0,1]=3 126 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [1,0,0,0,0,0|1,0,1]=3 127 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [1,0,0,0,0,0|1,0,1]=3 128 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [1,0,0,0,0,0|1,0,1]=3 129 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [1,0,0,0,0,0|0,0,1]=2 130 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [1,0,0,0,0,0|0,0,1]=2 131 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [1,0,0,0,0,0|0,0,1]=2 132 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [1,0,0,0,0,0|0,0,1]=2 133 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [1,0,0,0,0,0|0,0,1]=2 134 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [1,0,0,0,0,0|1,0,2]=4 135 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [1,0,0,0,0,0|1,0,2]=4 136 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [1,0,0,0,0,0|1,0,2]=4 137 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [1,0,0,0,0,0|1,0,2]=4 138 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [1,0,0,0,0,0|1,0,2]=4 139 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [1,0,0,0,0,0|1,0,2]=4 140 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [1,0,0,0,0,0|1,0,0]=2 141 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [1,0,0,0,0,0|1,0,0]=2 142 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [1,0,0,0,0,0|1,0,0]=2 143 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [1,0,0,0,0,0|1,0,2]=4 144 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [1,0,0,0,0,0|1,0,2]=4 145 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [1,0,0,0,0,0|1,0,2]=4 146 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [1,0,0,0,0,0|1,0,2]=4 147 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [1,0,0,0,0,0|1,0,2]=4 148 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [1,0,0,0,0,0|1,0,2]=4 149 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [1,0,0,0,0,0|1,0,2]=4 150 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [1,0,0,0,0,0|2,0,1]=4 151 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [1,0,0,0,0,0|2,0,1]=4 152 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [1,0,0,0,0,0|2,0,1]=4 153 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [1,0,0,0,0,0|2,0,1]=4 154 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [1,0,0,0,0,0|2,0,1]=4 155 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [1,0,0,0,0,0|2,0,1]=4 156 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [1,0,0,0,0,0|2,0,0]=3 157 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [1,0,0,0,0,0|1,0,1]=3 158 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [1,0,0,0,0,0|1,0,1]=3 159 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [1,0,0,0,0,0|2,0,1]=4 160 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [1,0,0,0,0,0|1,0,1]=3 161 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [1,0,0,0,0,0|2,0,1]=4 162 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [1,0,0,0,0,0|1,0,1]=3 163 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [1,0,0,0,0,0|2,0,1]=4 164 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [1,0,0,0,0,0|2,0,1]=4 165 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [1,0,0,0,0,0|1,0,1]=3 166 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [1,0,0,0,0,0|2,0,1]=4 167 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [1,0,0,0,0,0|2,0,1]=4 168 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [1,0,0,0,0,0|1,0,1]=3 169 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [1,0,0,0,0,0|1,0,1]=3 170 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [1,0,0,0,0,0|1,0,1]=3 171 B5R0.1 [13CH3]C(=O)CC#N 1458a_100051588842_200025704644 [1,0,0,0,0,0|1,0,2]=4 172 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [1,0,0,0,0,0|1,0,1]=3 173 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [1,0,0,0,0,0|2,0,1]=4 174 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [1,0,0,0,0,0|2,0,1]=4 175 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [1,0,0,0,0,0|2,0,1]=4 176 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [1,0,0,0,0,0|2,0,1]=4 177 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [1,0,0,0,0,0|2,0,1]=4 178 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [1,0,0,0,0,0|2,0,1]=4 179 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [1,0,0,0,0,0|2,0,1]=4 180 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [1,0,0,0,0,0|2,0,1]=4 181 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [1,0,0,0,0,0|2,0,1]=4 182 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [1,0,0,0,0,0|2,0,1]=4 183 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [1,0,0,0,0,0|2,0,1]=4 184 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [1,0,0,0,0,0|2,0,1]=4 185 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [1,0,0,0,0,0|2,0,1]=4 186 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [1,0,0,0,0,0|2,0,1]=4 187 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [1,0,0,0,0,0|2,0,1]=4 188 B5R0.2 C=CCNCC 2230a_100015525214_100000210623 [1,0,0,0,0,0|2,0,1]=4 189 B5R0.2 C=CCNCC 2230a_100020586998_100000210202 [1,0,0,0,0,0|2,0,1]=4 190 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [1,0,0,0,0,0|2,0,1]=4 191 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [1,0,0,0,0,0|2,0,1]=4 192 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [1,0,0,0,0,0|2,0,1]=4 193 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [1,0,0,0,0,0|2,0,1]=4 194 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [1,0,0,0,0,0|2,0,1]=4 195 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [1,0,0,0,0,0|2,0,1]=4 196 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [1,0,0,0,0,0|2,0,1]=4 197 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [1,0,0,0,0,0|2,0,1]=4 198 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [1,0,0,0,0,0|2,0,1]=4 199 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [1,0,0,0,0,0|2,0,1]=4 200 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [1,0,0,0,0,0|2,0,1]=4 201 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [1,0,0,0,0,0|2,0,1]=4 202 B5R0.2 CC=NNCC 4a_100000756455_200000210099 [1,0,0,0,0,0|3,0,0]=4 203 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [1,0,0,0,0,0|1,0,1]=3 204 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [1,0,0,0,0,0|1,0,1]=3 205 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [1,0,0,0,0,0|1,0,1]=3 206 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [1,0,0,0,0,0|1,0,1]=3 207 B5R0.2 O=CCSCF 62a_100015361967_200015260668 [1,0,0,0,0,0|2,0,1]=4 208 B5R0.2 O=CCSCF 62a_200015260668_100015361967 [1,0,0,0,0,0|2,0,1]=4 209 B5R0.3 C#CC(=O)CC 1458a_100000211873_100000210202 [1,0,0,0,0,0|2,0,1]=4 210 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [1,0,0,0,0,0|2,0,0]=3 211 B5R0.3 C=CC(=O)CF 1458a_100000185746_100015361967 [1,0,0,0,0,0|3,0,0]=4 212 B5R0.3 C=CC(=O)NC 1626a_100102657272_100000185746 [1,0,0,0,0,0|3,0,0]=4 213 B5R0.3 C=CC(=O)NC 240690a_100102657272_200121576911 [1,0,0,0,0,0|3,0,0]=4 214 B5R0.3 C=CC(C)OC 34a_100000695699_200000210301 [1,0,0,0,0,0|2,0,1]=4 215 B5R0.3 C=CC(C)O[13CH3] 34a_100000695699_200025704644 [1,0,0,0,0,0|2,0,1]=4 216 B5R0.3 C=CC(C)SC 62a_100011215867_200000210301 [1,0,0,0,0,0|2,0,1]=4 217 B5R0.3 C=CC(C)S[13CH3] 62a_100011215867_200025704644 [1,0,0,0,0,0|2,0,1]=4 218 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [1,0,0,0,0,0|2,0,1]=4 219 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [1,0,0,0,0,0|2,0,1]=4 220 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [1,0,0,0,0,0|1,0,2]=4 221 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [1,0,0,0,0,0|3,0,0]=4 222 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [1,0,0,0,0,0|3,0,0]=4 223 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [1,0,0,0,0,0|3,0,0]=4 224 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [1,0,0,0,0,0|3,0,0]=4 225 B5R0.3 CCC(C)NC 2230a_100000209981_200000210301 [1,0,0,0,0,0|2,0,1]=4 226 B5R0.3 CCC(C)NC 2230a_106832991635_100000758301 [1,0,0,0,0,0|2,0,1]=4 227 B5R0.3 CCC(C)NC 34a_100102657272_100011215416 [1,0,0,0,0,0|2,0,1]=4 228 B5R0.3 CCC(C)NC 7a_106832991635_100000758301 [1,0,0,0,0,0|2,0,1]=4 229 B5R0.3 CCC(C)N[13CH3] 2230a_100000209981_200025704644 [1,0,0,0,0,0|2,0,1]=4 230 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [1,0,0,0,0,0|2,0,1]=4 231 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [1,0,0,0,0,0|2,0,1]=4 232 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [1,0,0,0,0,0|2,0,1]=4 233 B5R0.3 CCC(C)SC 62a_100000758301_200000210301 [1,0,0,0,0,0|2,0,1]=4 234 B5R0.3 CCC(C)SC 62a_200000210301_100000758301 [1,0,0,0,0,0|2,0,1]=4 235 B5R0.3 CCC(C)S[13CH3] 62a_100000758301_200025704644 [1,0,0,0,0,0|2,0,1]=4 236 B5R0.3 CCC(C)S[13CH3] 62a_200025704644_100000758301 [1,0,0,0,0,0|2,0,1]=4 237 B5R0.3 CCN(C)CC 2230a_100000225621_100000210202 [1,0,0,0,0,0|2,0,1]=4 238 B5R0.3 CCN(C)CC 2230a_100000724800_200000210301 [1,0,0,0,0,0|2,0,1]=4 239 B5R0.3 CCN(C)CC 269956a_100000042499_200000210301 [1,0,0,0,0,0|2,0,1]=4 240 B5R0.3 CCN(C)CC 269982a_100000225621_100000204670 [1,0,0,0,0,0|2,0,1]=4 241 B5R0.3 CCN(C)CC 269982a_100000724800_200000210301 [1,0,0,0,0,0|2,0,1]=4 242 B5R0.3 CCN(C)CF 269982a_100000225621_100015361967 [1,0,0,0,0,0|2,0,1]=4 243 B5R0.3 CCN([13CH3])CC 2230a_100000724800_200025704644 [1,0,0,0,0,0|2,0,1]=4 244 B5R0.3 CCN([13CH3])CC 269956a_100000042499_200025704644 [1,0,0,0,0,0|2,0,1]=4 245 B5R0.3 CCN([13CH3])CC 269982a_100000724800_200025704644 [1,0,0,0,0,0|2,0,1]=4 246 B7R0.2 C=CC(=O)CC(C)C 1458a_100000185746_100000210624 [0,1,0,0,0,0|2,0,1]=4 247 B7R0.2 C=CC(=O)CC(C)O 1458a_100000185746_100011218427 [0,1,0,0,0,0|2,0,1]=4 248 B7R0.2 C=CC(=O)NC(C)C 1626a_100138425928_100000185746 [0,1,0,0,0,0|3,0,0]=4 249 B7R0.2 C=CC(=O)NC(C)C 240690a_100138425928_200121576911 [0,1,0,0,0,0|3,0,0]=4 250 B7R0.2 C=CC(C)OC(C)C 34a_100000695699_100000210206 [0,1,0,0,0,0|2,0,1]=4 251 B7R0.2 C=CC(C)SC(C)C 62a_100011215867_100000210206 [0,1,0,0,0,0|2,0,1]=4 252 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [0,1,0,0,0,0|1,0,2]=4 253 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [0,1,0,0,0,0|1,0,2]=4 254 B7R0.3 C#C/C(=C\COC)/C 34a_100016990848_200000210301 [0,1,0,0,0,0|1,0,1]=3 255 B7R0.3 C#C/C(=C\CO[13CH3])/C 34a_100016990848_200025704644 [0,1,0,0,0,0|1,0,1]=3 256 B7R0.3 C#CC(=NNCC)C 4a_100000756455_100000690481 [0,1,0,0,0,0|2,0,1]=4 257 B7R0.3 C=CC(=NNCC)C 4a_100000756455_200015361842 [0,1,0,0,0,0|2,0,0]=3 258 B7R0.3 C=CC(=O)C/C=C/C 1458a_100000185746_100102629194 [0,1,0,0,0,0|2,0,1]=4 259 B7R0.3 C=CC(=O)CC=CC 1458a_100000185746_100000070051 [0,1,0,0,0,0|2,0,1]=4 260 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [0,1,0,0,0,0|2,0,1]=4 261 B7R0.3 C=CC(=O)CCCF 1458a_100000185746_100011934791 [0,1,0,0,0,0|2,0,1]=4 262 B7R0.3 C=CC(=O)CCCO 1458a_100000185746_100011215043 [0,1,0,0,0,0|2,0,1]=4 263 B7R0.3 C=CC(=O)CCOC 1458a_100000185746_100000233755 [0,1,0,0,0,0|2,0,1]=4 264 B7R0.3 C=CC(=O)CCSC 1458a_100000185746_100000751147 [0,1,0,0,0,0|2,0,1]=4 265 B7R0.3 C=CC(=O)NCCC 1626a_100020643023_100000185746 [0,1,0,0,0,0|2,0,1]=4 266 B7R0.3 C=CC(=O)NCCC 240690a_100020643023_200121576911 [0,1,0,0,0,0|2,0,1]=4 267 B7R0.3 C=CC(=O)NCCF 1626a_100000724931_100000185746 [0,1,0,0,0,0|3,0,0]=4 268 B7R0.3 C=CC(=O)NCCF 240690a_100000724931_200121576911 [0,1,0,0,0,0|3,0,0]=4 269 B7R0.3 C=CC(=O)NCCO 240690a_100000210304_200121576911 [0,1,0,0,0,0|3,0,0]=4 270 B7R0.3 C=CC(=O)NNCC 22a_100000756455_100000185746 [0,1,0,0,0,0|3,0,0]=4 271 B7R0.3 C=CC(C)COCC 34a_100011215527_100000210202 [0,1,0,0,0,0|1,0,2]=4 272 B7R0.3 C=CC(C)COCC 7a_100011215527_100000210202 [0,1,0,0,0,0|1,0,2]=4 273 B7R0.3 C=CC(C)OCCC 34a_100000695699_100000210303 [0,1,0,0,0,0|1,0,2]=4 274 B7R0.3 C=CC(C)OCCF 34a_100000695699_100011217306 [0,1,0,0,0,0|2,0,1]=4 275 B7R0.3 C=CC(C)OCCO 34a_100000695699_100000211926 [0,1,0,0,0,0|2,0,1]=4 276 B7R0.3 C=CC(C)OCSC 34a_100000695699_100011218213 [0,1,0,0,0,0|2,0,1]=4 277 B7R0.3 C=CC(C)SCCC 62a_100011215867_100000210303 [0,1,0,0,0,0|1,0,2]=4 278 B7R0.3 C=CC(C)SCCF 62a_100011215867_100011217306 [0,1,0,0,0,0|2,0,1]=4 279 B7R0.3 C=CC(C)SCCO 62a_100011215867_100000211926 [0,1,0,0,0,0|2,0,1]=4 280 B7R0.3 C=CC(C)SCOC 62a_100011215867_100000766300 [0,1,0,0,0,0|2,0,1]=4 281 B7R0.3 C=CC(C)SCSC 62a_100011215867_100011218213 [0,1,0,0,0,0|2,0,1]=4 282 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [0,1,0,0,0,0|2,0,1]=4 283 B7R0.3 CCC=CC(=O)CF 1458a_100000212282_100015361967 [0,1,0,0,0,0|2,0,1]=4 284 B7R0.3 CCC=CC(=O)NC 11a_106832991635_100000212282 [0,1,0,0,0,0|3,0,0]=4 285 B7R0.3 CCC=CC(=O)NC 1626a_100102657272_100000212282 [0,1,0,0,0,0|3,0,0]=4 286 B7R0.3 CCC=CC(=O)NC 240690a_100102657272_100000212282 [0,1,0,0,0,0|3,0,0]=4 287 B7R0.3 CCNN=C(C)CF 4a_100000756455_100000039719 [0,1,0,0,0,0|2,0,1]=4 288 B7R0.3 CCNN=C(C)CO 4a_100000756455_100000211253 [0,1,0,0,0,0|1,0,2]=4 289 B7R0.5 C=C(Br)C(=O)NCC 11a_100015525214_100009813364 [0,1,0,0,0,0|3,0,0]=4 290 B7R0.5 C=C(C)C(=O)CCC 1458a_100000185857_100000210303 [0,1,0,0,0,0|2,0,1]=4 291 B7R0.5 C=C(C)C(=O)NCC 11a_100015525214_100000185857 [0,1,0,0,0,0|3,0,0]=4 292 B7R0.5 C=C(C)C(C)NCC 269862a_100015525214_100011216138 [0,1,0,0,0,0|2,0,1]=4 293 B7R0.5 C=C(Cl)C(=O)NCC 11a_100015525214_100000039160 [0,1,0,0,0,0|3,0,0]=4 294 B7R0.5 C=C(F)C(=O)NCC 11a_100015525214_100000036797 [0,1,0,0,0,0|3,0,0]=4 295 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_100011261029_200025704644 [0,1,0,0,0,0|2,0,1]=4 296 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_200025704644_100011261029 [0,1,0,0,0,0|2,0,1]=4 297 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [0,1,0,0,0,0|1,0,2]=4 298 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [0,1,0,0,0,0|1,0,2]=4 299 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [0,1,0,0,0,0|1,0,2]=4 300 B7R0.5 CC(=O)C(C)OCF 34a_100000212229_100015361967 [0,1,0,0,0,0|2,0,1]=4 301 B7R0.5 CC(=O)C(C)SCF 62a_100009814033_100015361967 [0,1,0,0,0,0|2,0,1]=4 302 B7R0.5 CC(=O)C(C)SCF 62a_100015361967_100009814033 [0,1,0,0,0,0|2,0,1]=4 303 B7R0.5 CC(=O)N(C)CCO 240690a_100000210263_100015343762 [0,1,0,0,0,0|2,0,1]=4 304 B7R0.5 CC(=O)N(C)CCO 527a_100000210263_100103153847 [0,1,0,0,0,0|2,0,1]=4 305 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [0,1,0,0,0,0|1,0,2]=4 306 B7R0.5 CC(SCF)C(=O)N 62a_100000702099_100015361967 [0,1,0,0,0,0|2,0,1]=4 307 B7R0.5 CC(SCF)C(=O)N 62a_100015361967_100000702099 [0,1,0,0,0,0|2,0,1]=4 308 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [0,1,0,0,0,0|0,0,0]=1 309 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [0,1,0,0,0,0|0,0,0]=1 310 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [0,1,0,0,0,0|0,0,2]=3 311 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [0,1,0,0,0,0|0,0,2]=3 312 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [0,1,0,0,0,0|0,0,2]=3 313 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [0,1,0,0,0,0|1,0,1]=3 314 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [0,1,0,0,0,0|1,0,1]=3 315 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [0,1,0,0,0,0|1,0,1]=3 316 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [0,1,0,0,0,0|1,0,1]=3 317 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [0,1,0,0,0,0|1,0,2]=4 318 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [0,1,0,0,0,0|1,0,2]=4 319 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [0,1,0,0,0,0|2,0,0]=3 320 B7R0.5 CCNC(=O)C(=O)N 240690a_100015525214_100011215815 [0,1,0,0,0,0|2,0,0]=3 321 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [0,1,0,0,0,0|2,0,0]=3 322 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [0,1,0,0,0,0|1,0,1]=3 323 B7R0.5 CCNC(C)C(=O)N 2230a_100015525214_100000702099 [0,1,0,0,0,0|1,0,1]=3 324 B7R0.5 CCNC(F)C(=O)N 2230a_100015525214_100009813875 [0,1,0,0,0,0|2,0,1]=4 325 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [0,1,0,0,0,0|1,0,1]=3 326 B7R0.5 CCN[C@H](C)C(=O)N 2230a_100000119354_100000210202 [0,1,0,0,0,0|1,0,1]=3 327 B7R0.5 CCN[C@H](C)C(=O)N 34a_100000119354_100000210202 [0,1,0,0,0,0|1,0,1]=3 328 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [0,1,0,0,0,0|1,0,1]=3 329 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [0,1,0,0,0,0|1,0,1]=3 330 B7R0.5 CCOC(C)C(=O)N 34a_100121572206_100000702099 [0,1,0,0,0,0|1,0,1]=3 331 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [0,1,0,0,0,0|1,0,1]=3 332 B7R0.5 CCOC(F)C(=O)N 34a_100121572206_100009813875 [0,1,0,0,0,0|2,0,1]=4 333 B7R0.5 CCOC(F)C(=O)[O-] 34a_100121572206_100020610796 [0,1,0,0,0,0|2,0,1]=4 334 B7R0.5 CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210202 [0,1,0,0,0,0|1,0,1]=3 335 B7R0.5 CCO[C@H](C)C(=O)N 34a_100000731257_100000210202 [0,1,0,0,0,0|1,0,1]=3 336 B7R0.5 CCO[C@H](C)C(=O)N 7a_100000731257_100000210202 [0,1,0,0,0,0|1,0,1]=3 337 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [0,1,0,0,0,0|1,0,1]=3 338 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [0,1,0,0,0,0|1,0,1]=3 339 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [0,1,0,0,0,0|1,0,1]=3 340 B7R0.5 CCSC(C)C(=O)N 62a_100000210202_100000702099 [0,1,0,0,0,0|1,0,1]=3 341 B7R0.5 CCSC(C)C(=O)N 62a_100000702099_100000210202 [0,1,0,0,0,0|1,0,1]=3 342 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [0,1,0,0,0,0|1,0,1]=3 343 B7R0.5 CCSC(F)C(=O)N 62a_100000210202_100009813875 [0,1,0,0,0,0|2,0,1]=4 344 B7R0.5 CCSC(F)C(=O)N 62a_100009813875_100000210202 [0,1,0,0,0,0|2,0,1]=4 345 B7R0.5 CCSC(F)C(=O)[O-] 62a_100000210202_100020610796 [0,1,0,0,0,0|2,0,1]=4 346 B7R0.5 CCSC(F)C(=O)[O-] 62a_100020610796_100000210202 [0,1,0,0,0,0|2,0,1]=4 347 B7R0.5 CNCC(=O)C(=O)C 34a_100102657272_100011261029 [0,1,0,0,0,0|2,0,1]=4 348 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [0,1,0,0,0,0|1,0,2]=4 349 B7R0.5 CNNC(=O)C(=O)N 22a_100016993582_100011215815 [0,1,0,0,0,0|3,0,0]=4 350 B7R0.5 CO/N=C(\C)/C(=O)C 1458a_100160996864_200000210301 [0,1,0,0,0,0|2,0,0]=3 351 B7R0.5 CO/N=C(\C)/C(=O)[13CH3] 1458a_100160996864_200025704644 [0,1,0,0,0,0|2,0,0]=3 352 B7R0.5 COCC(=O)C(=O)C 34a_100138415774_100011261029 [0,1,0,0,0,0|2,0,1]=4 353 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [0,1,0,0,0,0|1,0,2]=4 354 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [0,1,0,0,0,0|1,0,2]=4 355 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [0,1,0,0,0,0|1,0,2]=4 356 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [0,1,0,0,0,0|1,0,2]=4 357 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [0,1,0,0,0,0|1,0,2]=4 358 B7R0.5 CSCC(=O)C(=O)C 62a_100011261029_200000210301 [0,1,0,0,0,0|2,0,1]=4 359 B7R0.5 CSCC(=O)C(=O)C 62a_200000210301_100011261029 [0,1,0,0,0,0|2,0,1]=4 360 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [0,1,0,0,0,0|1,0,2]=4 361 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [0,1,0,0,0,0|1,0,2]=4 362 B7R0.5 C[C@@H](NCF)C(=O)N 34a_100000119354_100015361967 [0,1,0,0,0,0|2,0,1]=4 363 B7R0.5 C[C@@H](OCF)C(=O)N 34a_100000731257_100015361967 [0,1,0,0,0,0|2,0,1]=4 364 B7R0.5 C[C@@H](OCF)C(=O)N 7a_100000731257_100015361967 [0,1,0,0,0,0|2,0,1]=4 365 B7R0.5 C[C@H](NCF)C(=O)O 269956a_100000743915_100015361967 [0,1,0,0,0,0|2,0,1]=4 366 B7R0.5 C[C@H](OCF)C(=O)[O-] 7a_217856618621_100015361967 [0,1,0,0,0,0|2,0,1]=4 367 B7R0.7 C/C=C/C(C)OCC 34a_200102604097_100000210202 [0,1,0,0,0,0|2,0,1]=4 368 B7R0.7 C=CCC(=O)C=CC 1458a_100000210699_100000210623 [0,1,0,0,0,0|2,0,1]=4 369 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [0,1,0,0,0,0|2,0,1]=4 370 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [0,1,0,0,0,0|2,0,1]=4 371 B7R0.7 C=CCC(=O)NCC 11a_100015525214_100000210193 [0,1,0,0,0,0|3,0,0]=4 372 B7R0.7 C=CCC(=O)NCC 240690a_100015525214_100000210193 [0,1,0,0,0,0|3,0,0]=4 373 B7R0.7 C=CCC(=O)NCC 527a_100015525214_100000210193 [0,1,0,0,0,0|3,0,0]=4 374 B7R0.7 C=CCN(C)CCC 2230a_100000225617_100000210303 [0,1,0,0,0,0|2,0,1]=4 375 B7R0.7 C=CCN(C)CCC 2230a_100000747261_100000210623 [0,1,0,0,0,0|2,0,1]=4 376 B7R0.7 C=CCN(C)CCC 269982a_100000225617_100000210303 [0,1,0,0,0,0|2,0,1]=4 377 B7R0.7 C=CCN(C)CCC 269982a_100000747261_100000210623 [0,1,0,0,0,0|2,0,1]=4 378 B7R0.7 C=CC[C@@H](C)OCC 34a_100000731007_100000210202 [0,1,0,0,0,0|2,0,1]=4 379 B7R0.7 C=CC[C@@H](C)OCC 7a_100000731007_100000210202 [0,1,0,0,0,0|2,0,1]=4 380 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [0,1,0,0,0,0|2,0,1]=4 381 B7R0.7 CC=CC(=O)NCC 11a_100015525214_100000210699 [0,1,0,0,0,0|3,0,0]=4 382 B7R0.7 CC=CC(=O)NCC 240690a_100015525214_100000210699 [0,1,0,0,0,0|3,0,0]=4 383 B7R0.7 CCCC(=O)C=CBr 1458a_100016273825_100000210303 [0,1,0,0,0,0|2,0,1]=4 384 B7R0.7 CCCC(=O)C=CCl 1458a_200016279998_100000210303 [0,1,0,0,0,0|2,0,1]=4 385 B7R0.7 CCCC(=O)C=CI 1458a_100016256311_100000210303 [0,1,0,0,0,0|2,0,1]=4 386 B7R0.7 CCCN(C)CC=O 2230a_100000747261_200015260668 [0,1,0,0,0,0|1,0,1]=3 387 B7R0.7 CCCN(C)CC=O 269982a_100000747261_200015260668 [0,1,0,0,0,0|1,0,1]=3 388 B7R0.7 CCNC(=O)C=CBr 240690a_100015525214_100016273825 [0,1,0,0,0,0|3,0,0]=4 389 B7R0.7 CCNC(=O)C=CCl 11a_100015525214_200016279998 [0,1,0,0,0,0|3,0,0]=4 390 B7R0.7 CCNC(=O)C=CCl 240690a_100015525214_200016279998 [0,1,0,0,0,0|3,0,0]=4 391 B7R0.7 CN(CC=O)CCO 2230a_100000210263_200015260668 [0,1,0,0,0,0|2,0,1]=4 392 B7R0.7 CN(CC=O)CCO 269982a_100000210263_200015260668 [0,1,0,0,0,0|2,0,1]=4 393 B7R0.10 C#CC(C)C(=O)CC 1458a_100000210414_200000035995 [0,1,0,0,0,0|1,0,2]=4 394 B7R0.10 C/C=C(\C)/C(=O)CC 1458a_100020587367_100000210202 [0,1,0,0,0,0|1,0,0]=2 395 B7R0.10 C/C=C(\C)/C(=O)CF 1458a_100020587367_100015361967 [0,1,0,0,0,0|2,0,0]=3 396 B7R0.10 C/C=C(\C)/C(=O)NC 11a_106832991635_100020587367 [0,1,0,0,0,0|2,0,0]=3 397 B7R0.10 C/C=C(\C)/C(=O)NC 1626a_100102657272_100020587367 [0,1,0,0,0,0|2,0,0]=3 398 B7R0.10 C/C=C(\C)/C(C)NC 269862a_106832991636_100020675665 [0,1,0,0,0,0|2,0,1]=4 399 B7R0.10 C=CC(=O)C(C)CC 1458a_100000185746_100000758301 [0,1,0,0,0,0|2,0,1]=4 400 B7R0.10 C=CC(=O)N(C)CC 1626a_100000225621_100000185746 [0,1,0,0,0,0|3,0,0]=4 401 B7R0.10 C=CC(=O)N(C)CC 240690a_100000225621_200121576911 [0,1,0,0,0,0|3,0,0]=4 402 B7R0.10 C=CC(C)C(=O)CC 1458a_100011216780_100000210202 [0,1,0,0,0,0|1,0,1]=3 403 B7R0.10 C=CC(C)C(=O)CF 1458a_100011216780_100015361967 [0,1,0,0,0,0|2,0,1]=4 404 B7R0.10 C=CC(C)C(=O)NC 11a_106832991635_100011216780 [0,1,0,0,0,0|2,0,1]=4 405 B7R0.10 C=CC(C)C(=O)NC 1626a_100102657272_100011216780 [0,1,0,0,0,0|2,0,1]=4 406 B7R0.10 C=CC(C)C(=O)NC 240690a_100102657272_100011216780 [0,1,0,0,0,0|2,0,1]=4 407 B7R0.10 C=CC(C)C(=O)NC 527a_100102657272_100011216780 [0,1,0,0,0,0|2,0,1]=4 408 B7R0.10 C=CC(C)N(C)CC 269982a_100000225621_100011215867 [0,1,0,0,0,0|2,0,1]=4 409 B7R0.10 CCC(=O)C(=O)NC 1458a_100011218921_100000210202 [0,1,0,0,0,0|3,0,0]=4 410 B7R0.10 CCC(=O)C(C)C#N 1458a_100000210414_100000703298 [0,1,0,0,0,0|1,0,2]=4 411 B7R0.10 CCC(=O)C(C)C#N 1458a_100000753662_100000210202 [0,1,0,0,0,0|1,0,2]=4 412 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [0,1,0,0,0,0|1,0,2]=4 413 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [0,1,0,0,0,0|1,0,2]=4 414 B7R0.10 CCC(=O)C(C)NC 2230a_106832991635_100000742827 [0,1,0,0,0,0|2,0,1]=4 415 B7R0.10 CCC(=O)C(C)NC 7a_106832991635_100000742827 [0,1,0,0,0,0|2,0,1]=4 416 B7R0.10 CCC(=O)C(C)OC 1458a_100000743197_100000210202 [0,1,0,0,0,0|2,0,1]=4 417 B7R0.10 CCC(=O)C(C)SC 1458a_100000149566_100000210202 [0,1,0,0,0,0|2,0,1]=4 418 B7R0.10 CCC(=O)C(C)SC 62a_100000742827_200000210301 [0,1,0,0,0,0|2,0,1]=4 419 B7R0.10 CCC(=O)C(C)SC 62a_200000210301_100000742827 [0,1,0,0,0,0|2,0,1]=4 420 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_100000742827_200025704644 [0,1,0,0,0,0|2,0,1]=4 421 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_200025704644_100000742827 [0,1,0,0,0,0|2,0,1]=4 422 B7R0.10 CCC(=O)N(C)CC 11a_100000225621_100000210414 [0,1,0,0,0,0|2,0,1]=4 423 B7R0.10 CCC(=O)N(C)CC 1626a_100000225621_100000210414 [0,1,0,0,0,0|2,0,1]=4 424 B7R0.10 CCC(=O)N(C)CC 240690a_100000225621_100000210414 [0,1,0,0,0,0|2,0,1]=4 425 B7R0.10 CCC(=O)N(C)CC 527a_100000225621_100000210414 [0,1,0,0,0,0|2,0,1]=4 426 B7R0.11 C=CC(C)(C)OCC 34a_100011215311_100000210202 [0,1,0,0,0,0|2,0,1]=4 427 B7R0.11 C=CC(C)(C)OCC 7a_100011215311_100000210202 [0,1,0,0,0,0|2,0,1]=4 428 B7R0.12 C=CC(CC)OCC 34a_100000766422_100000210202 [0,1,0,0,0,0|2,0,1]=4 429 B7R0.12 C=CC(CC)OCC 7a_100000766422_100000210202 [0,1,0,0,0,0|2,0,1]=4 430 B7R0.12 C=CC(CCC)OC 34a_100011216692_200000210301 [0,1,0,0,0,0|1,0,2]=4 431 B7R0.12 C=CC(CCC)OC 7a_100011216692_200000210301 [0,1,0,0,0,0|1,0,2]=4 432 B7R0.12 C=CC(CCC)O[13CH3] 34a_100011216692_200025704644 [0,1,0,0,0,0|1,0,2]=4 433 B7R0.12 C=CC(CCC)O[13CH3] 7a_100011216692_200025704644 [0,1,0,0,0,0|1,0,2]=4 434 B7R0.12 C=C[C@@H](CO)NCC 2230a_100016989147_100000210202 [0,1,0,0,0,0|2,0,1]=4 435 B7R0.12 C=C[C@@H](CO)NCC 34a_100016989147_100000210202 [0,1,0,0,0,0|2,0,1]=4 436 B7R0.12 CCNC(C=O)C=O 2230a_100015525214_100000736813 [0,1,0,0,0,0|1,0,2]=4 437 B7R0.12 CCOC(C=O)C=O 34a_100121572206_100000736813 [0,1,0,0,0,0|1,0,2]=4 438 B7R0.12 CCSC(C=O)C=O 62a_100000210202_100000736813 [0,1,0,0,0,0|1,0,2]=4 439 B7R0.12 CCSC(C=O)C=O 62a_100000736813_100000210202 [0,1,0,0,0,0|1,0,2]=4 440 B7R1.2 Cc1cc(cs1)O 271570a_203496583355_100000759034 [0,0,0,1,0,0|1,1,1]=4 441 B7R1.2 Cc1cn(nn1)C 274090a_200000210301_200000242740 [0,0,0,1,0,0|3,0,0]=4 442 B7R1.2 Cc1cn(nn1)[13CH3] 274090a_200025704644_200000242740 [0,0,0,1,0,0|3,0,0]=4 443 B7R1.2 Cc1csc(c1)O 271570a_203496583355_100009876951 [0,0,0,1,0,0|1,1,1]=4 444 B7R1.2 Cn1cc(cn1)O 271570a_203496583355_100000748075 [0,0,0,1,0,0|3,0,0]=4 445 B7R1.4 Cc1c[nH]nc1O 271570a_203496583355_100009871783 [0,0,0,1,0,0|2,0,1]=4 446 B7R1.4 Cc1ccsc1O 271570a_203496583355_100000742657 [0,0,0,1,0,0|1,0,2]=4 447 B7R1.4 Cc1cscc1O 271570a_203496583355_100000759966 [0,0,0,1,0,0|1,0,2]=4 448 B4R0.1 C#CC(=O)C 1458a_100000211873_200000210301 [2,0,0,0,0,0|0,0,2]=4 449 B4R0.1 C#CC(=O)[13CH3] 1458a_100000211873_200025704644 [2,0,0,0,0,0|0,0,2]=4 450 B4R0.1 C=CC(=O)C 1458a_100000185746_200000210301 [2,0,0,0,0,0|0,0,1]=3 451 B4R0.1 C=CC(=O)[13CH3] 1458a_100000185746_200025704644 [2,0,0,0,0,0|0,0,1]=3 452 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [2,0,0,0,0,0|1,0,0]=3 453 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [2,0,0,0,0,0|1,0,0]=3 454 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [2,0,0,0,0,0|0,0,0]=2 455 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [2,0,0,0,0,0|0,0,0]=2 456 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [2,0,0,0,0,0|0,0,0]=2 457 B4R0.1 CCN(C)C 2230a_100000225621_200000210301 [2,0,0,0,0,0|1,0,1]=4 458 B4R0.1 CCN(C)C 2230a_100102631434_100000210202 [2,0,0,0,0,0|1,0,1]=4 459 B4R0.1 CCN(C)C 269982a_100000225621_200000210301 [2,0,0,0,0,0|1,0,1]=4 460 B4R0.1 CCN(C)C 269982a_100102631434_100000204670 [2,0,0,0,0,0|1,0,1]=4 461 B4R0.1 CCN(C)[13CH3] 2230a_100000225621_200025704644 [2,0,0,0,0,0|1,0,1]=4 462 B4R0.1 CCN(C)[13CH3] 269982a_100000225621_200025704644 [2,0,0,0,0,0|1,0,1]=4 463 B4R0.1 CNC(=O)C 11a_106832991635_100015343762 [2,0,0,0,0,0|1,0,0]=3 464 B4R0.1 CNC(=O)C 1626a_100102657272_100015343762 [2,0,0,0,0,0|1,0,0]=3 465 B4R0.1 CNC(=O)C 240690a_100102657272_100015343762 [2,0,0,0,0,0|1,0,0]=3 466 B4R0.1 CNC(=O)C 527a_100102657272_100103153847 [2,0,0,0,0,0|1,0,0]=3 467 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [2,0,0,0,0,0|1,0,0]=3 468 B4R0.2 C=CCNC 2230a_100020586998_200000210301 [2,0,0,0,0,0|1,0,1]=4 469 B4R0.2 C=CCNC 2230a_106832991635_100000210623 [2,0,0,0,0,0|1,0,1]=4 470 B4R0.2 C=CCNC 34a_100102657272_100015514636 [2,0,0,0,0,0|1,0,1]=4 471 B4R0.2 C=CCNC 7a_106832991635_100015514636 [2,0,0,0,0,0|1,0,1]=4 472 B4R0.2 C=CCN[13CH3] 2230a_100020586998_200025704644 [2,0,0,0,0,0|1,0,1]=4 473 B4R0.2 C=CCOC 34a_100138415774_100015514636 [2,0,0,0,0,0|1,0,1]=4 474 B4R0.2 C=CCOC 34a_200000210373_200000210301 [2,0,0,0,0,0|1,0,1]=4 475 B4R0.2 C=CCO[13CH3] 34a_200000210373_200025704644 [2,0,0,0,0,0|1,0,1]=4 476 B4R0.2 C=CCSC 62a_100000210623_200000210301 [2,0,0,0,0,0|1,0,1]=4 477 B4R0.2 C=CCSC 62a_200000210301_100000210623 [2,0,0,0,0,0|1,0,1]=4 478 B4R0.2 C=CCS[13CH3] 62a_100000210623_200025704644 [2,0,0,0,0,0|1,0,1]=4 479 B4R0.2 C=CCS[13CH3] 62a_200025704644_100000210623 [2,0,0,0,0,0|1,0,1]=4 480 B4R0.2 CCCNC 2230a_106832991635_100000210303 [2,0,0,0,0,0|1,0,1]=4 481 B4R0.2 CCCNC 34a_100102657272_100000210303 [2,0,0,0,0,0|1,0,1]=4 482 B4R0.2 CCCNC 7a_106832991635_100000210303 [2,0,0,0,0,0|1,0,1]=4 483 B4R0.2 CCCOC 34a_100000210258_200000210301 [2,0,0,0,0,0|1,0,1]=4 484 B4R0.2 CCCOC 34a_100138415774_100000210303 [2,0,0,0,0,0|1,0,1]=4 485 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [2,0,0,0,0,0|1,0,1]=4 486 B4R0.2 CCCSC 62a_100000210303_200000210301 [2,0,0,0,0,0|1,0,1]=4 487 B4R0.2 CCCSC 62a_200000210301_100000210303 [2,0,0,0,0,0|1,0,1]=4 488 B4R0.2 CCCS[13CH3] 62a_100000210303_200025704644 [2,0,0,0,0,0|1,0,1]=4 489 B4R0.2 CCCS[13CH3] 62a_200025704644_100000210303 [2,0,0,0,0,0|1,0,1]=4 490 B4R0.2 CCNCC 2230a_100015525214_100000210202 [2,0,0,0,0,0|1,0,1]=4 491 B4R0.2 CCOCC 34a_100121572206_100000210202 [2,0,0,0,0,0|1,0,1]=4 492 B4R0.2 CCSCC 62a_100000210202_100000210202 [2,0,0,0,0,0|1,0,1]=4 493 B4R0.2 CNCC=O 2230a_106832991635_200015260668 [2,0,0,0,0,0|1,0,1]=4 494 B4R0.2 CNCC=O 34a_100102657272_200009817547 [2,0,0,0,0,0|1,0,1]=4 495 B4R0.2 CNCC=O 7a_106832991635_200015260668 [2,0,0,0,0,0|1,0,1]=4 496 B4R0.2 COCC=O 34a_100138415774_200009817547 [2,0,0,0,0,0|1,0,1]=4 497 B4R0.2 CSCC=O 62a_200000210301_200015260668 [2,0,0,0,0,0|1,0,1]=4 498 B4R0.2 CSCC=O 62a_200015260668_200000210301 [2,0,0,0,0,0|1,0,1]=4 499 B4R0.2 [13CH3]SCC=O 62a_200015260668_200025704644 [2,0,0,0,0,0|1,0,1]=4 500 B4R0.2 [13CH3]SCC=O 62a_200025704644_200015260668 [2,0,0,0,0,0|1,0,1]=4 501 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [1,1,0,0,0,0|0,0,2]=4 502 B6R0.2 C=C(C)CN(C)C 2230a_100000225649_200000210301 [1,1,0,0,0,0|1,0,1]=4 503 B6R0.2 C=C(C)CN(C)C 2230a_100102631434_100000748629 [1,1,0,0,0,0|1,0,1]=4 504 B6R0.2 C=C(C)CN(C)C 269982a_100000225649_200000210301 [1,1,0,0,0,0|1,0,1]=4 505 B6R0.2 C=C(C)CN(C)C 269982a_100102631434_100000748629 [1,1,0,0,0,0|1,0,1]=4 506 B6R0.2 C=C(C)CN(C)[13CH3] 2230a_100000225649_200025704644 [1,1,0,0,0,0|1,0,1]=4 507 B6R0.2 C=C(C)CN(C)[13CH3] 269982a_100000225649_200025704644 [1,1,0,0,0,0|1,0,1]=4 508 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [1,1,0,0,0,0|0,0,1]=3 509 B6R0.2 CC(=CC(=O)[13CH3])Cl 1458a_200042562850_200025704644 [1,1,0,0,0,0|0,0,1]=3 510 B6R0.2 CC(=CC(=O)[13CH3])I 1458a_100025716642_200025704644 [1,1,0,0,0,0|0,0,1]=3 511 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [1,1,0,0,0,0|0,0,1]=3 512 B6R0.2 CC(=O)C=C(C)Cl 1458a_200042562850_200000210301 [1,1,0,0,0,0|0,0,1]=3 513 B6R0.2 CC(=O)C=C(C)I 1458a_100025716642_200000210301 [1,1,0,0,0,0|0,0,1]=3 514 B6R0.2 CC(=O)C=C(Cl)Cl 1458a_100000137448_200000210301 [1,1,0,0,0,0|1,0,1]=4 515 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [1,1,0,0,0,0|0,0,1]=3 516 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [1,1,0,0,0,0|0,0,1]=3 517 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [1,1,0,0,0,0|0,0,1]=3 518 B6R0.2 CC(=O)CC(F)F 1458a_100000070787_100011934356 [1,1,0,0,0,0|1,0,1]=4 519 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [1,1,0,0,0,0|1,0,1]=4 520 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [1,1,0,0,0,0|0,0,1]=3 521 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [1,1,0,0,0,0|1,0,1]=4 522 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [1,1,0,0,0,0|1,0,0]=3 523 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [1,1,0,0,0,0|1,0,0]=3 524 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [1,1,0,0,0,0|1,0,0]=3 525 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [1,1,0,0,0,0|1,0,0]=3 526 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [1,1,0,0,0,0|0,0,1]=3 527 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [1,1,0,0,0,0|1,0,1]=4 528 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [1,1,0,0,0,0|0,0,1]=3 529 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [1,1,0,0,0,0|1,0,1]=4 530 B6R0.2 [13CH3]C(=O)C=C(Cl)Cl 1458a_100000137448_200025704644 [1,1,0,0,0,0|1,0,1]=4 531 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [1,1,0,0,0,0|0,0,1]=3 532 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [1,1,0,0,0,0|0,0,1]=3 533 B6R0.3 C=C(Br)C(=O)NC 11a_106832991635_100009813364 [1,1,0,0,0,0|2,0,0]=4 534 B6R0.3 C=C(Br)C(=O)NC 1626a_100102657272_100009813364 [1,1,0,0,0,0|2,0,0]=4 535 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [1,1,0,0,0,0|0,0,0]=2 536 B6R0.3 C=C(C)C(=O)CF 1458a_100000185857_100015361967 [1,1,0,0,0,0|1,0,0]=3 537 B6R0.3 C=C(C)C(=O)NC 11a_106832991635_100000185857 [1,1,0,0,0,0|1,0,0]=3 538 B6R0.3 C=C(C)C(=O)NC 1626a_100102657272_100000185857 [1,1,0,0,0,0|1,0,0]=3 539 B6R0.3 C=C(C)C(C)NC 269862a_106832991636_100011216138 [1,1,0,0,0,0|1,0,1]=4 540 B6R0.3 C=C(Cl)C(=O)NC 11a_106832991635_100000039160 [1,1,0,0,0,0|2,0,0]=4 541 B6R0.3 C=C(Cl)C(=O)NC 1626a_100102657272_100000039160 [1,1,0,0,0,0|2,0,0]=4 542 B6R0.3 C=C(F)C(=O)NC 11a_106832991635_100000036797 [1,1,0,0,0,0|2,0,0]=4 543 B6R0.3 C=C(F)C(=O)NC 1626a_100102657272_100000036797 [1,1,0,0,0,0|2,0,0]=4 544 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [1,1,0,0,0,0|1,0,1]=4 545 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [1,1,0,0,0,0|1,0,1]=4 546 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [1,1,0,0,0,0|1,0,1]=4 547 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [1,1,0,0,0,0|1,0,1]=4 548 B6R0.3 CCC(=O)C(C)C 1458a_100000210198_100000210202 [1,1,0,0,0,0|0,0,2]=4 549 B6R0.3 CCC(=O)C(C)C 1458a_100000210414_100000210206 [1,1,0,0,0,0|0,0,2]=4 550 B6R0.3 CCC(=O)C(C)F 1458a_100000062450_100000210202 [1,1,0,0,0,0|1,0,1]=4 551 B6R0.3 CCC(=O)N(C)C 11a_100102631434_100000210414 [1,1,0,0,0,0|1,0,1]=4 552 B6R0.3 CCC(=O)N(C)C 1626a_100102631434_100000210414 [1,1,0,0,0,0|1,0,1]=4 553 B6R0.3 CCC(=O)N(C)C 240690a_100102631434_100000210414 [1,1,0,0,0,0|1,0,1]=4 554 B6R0.3 CCC(=O)N(C)C 527a_100102631434_100000210414 [1,1,0,0,0,0|1,0,1]=4 555 B6R0.3 CCC(=O)[C@@H](C)O 1458a_100000717761_100000210202 [1,1,0,0,0,0|0,0,2]=4 556 B6R0.3 CCC(=O)[C@H](C)O 1458a_217856618621_100000210202 [1,1,0,0,0,0|0,0,2]=4 557 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [1,1,0,0,0,0|0,0,1]=3 558 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [1,1,0,0,0,0|0,0,1]=3 559 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [1,1,0,0,0,0|0,0,1]=3 560 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [1,1,0,0,0,0|0,0,1]=3 561 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [1,1,0,0,0,0|0,0,1]=3 562 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [1,1,0,0,0,0|1,0,0]=3 563 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [1,1,0,0,0,0|1,0,0]=3 564 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [1,1,0,0,0,0|1,0,0]=3 565 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [1,1,0,0,0,0|1,0,0]=3 566 B6R0.3 CNC(=O)C(=O)C 1458a_100011218921_200000210301 [1,1,0,0,0,0|1,0,0]=3 567 B6R0.3 CNC(=O)C(=O)N 240690a_100102657272_100011215815 [1,1,0,0,0,0|2,0,0]=4 568 B6R0.3 CNC(=O)C(=O)[13CH3] 1458a_100011218921_200025704644 [1,1,0,0,0,0|1,0,0]=3 569 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [1,1,0,0,0,0|1,0,1]=4 570 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [1,1,0,0,0,0|1,0,1]=4 571 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [1,1,0,0,0,0|1,0,1]=4 572 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [1,1,0,0,0,0|1,0,1]=4 573 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [1,1,0,0,0,0|1,0,1]=4 574 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [1,1,0,0,0,0|1,0,1]=4 575 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [1,1,0,0,0,0|1,0,1]=4 576 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [1,1,0,0,0,0|1,0,1]=4 577 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [1,1,0,0,0,0|1,0,1]=4 578 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [1,1,0,0,0,0|1,0,1]=4 579 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [1,1,0,0,0,0|0,0,2]=4 580 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [1,1,0,0,0,0|0,0,2]=4 581 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [1,1,0,0,0,0|0,0,2]=4 582 B6R0.4 C#CCNC(=O)C 11a_100000212058_100015343762 [1,1,0,0,0,0|1,0,1]=4 583 B6R0.4 C#CCNC(=O)C 1626a_100000212058_100015343762 [1,1,0,0,0,0|1,0,1]=4 584 B6R0.4 C#CCNC(=O)C 240690a_100000212058_100015343762 [1,1,0,0,0,0|1,0,1]=4 585 B6R0.4 C#CCNC(=O)C 527a_100000212058_100103153847 [1,1,0,0,0,0|1,0,1]=4 586 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [1,1,0,0,0,0|0,0,1]=3 587 B6R0.4 C=C(Br)CCOC 34a_100009813270_200000210301 [1,1,0,0,0,0|1,0,1]=4 588 B6R0.4 C=C(Br)CCO[13CH3] 34a_100009813270_200025704644 [1,1,0,0,0,0|1,0,1]=4 589 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [1,1,0,0,0,0|0,0,1]=3 590 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [1,1,0,0,0,0|0,0,1]=3 591 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [1,1,0,0,0,0|0,0,1]=3 592 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [1,1,0,0,0,0|0,0,1]=3 593 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [1,1,0,0,0,0|0,0,1]=3 594 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [1,1,0,0,0,0|0,0,1]=3 595 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [1,1,0,0,0,0|0,0,1]=3 596 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [1,1,0,0,0,0|0,0,1]=3 597 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [1,1,0,0,0,0|0,0,1]=3 598 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [1,1,0,0,0,0|0,0,1]=3 599 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [1,1,0,0,0,0|0,0,1]=3 600 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [1,1,0,0,0,0|0,0,1]=3 601 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [1,1,0,0,0,0|0,0,1]=3 602 B6R0.4 C=C(C)COCF 34a_100000210245_100015361967 [1,1,0,0,0,0|1,0,1]=4 603 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [1,1,0,0,0,0|0,0,1]=3 604 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [1,1,0,0,0,0|0,0,1]=3 605 B6R0.4 C=C(C)CSCF 62a_100000748629_100015361967 [1,1,0,0,0,0|1,0,1]=4 606 B6R0.4 C=C(C)CSCF 62a_100015361967_100000211660 [1,1,0,0,0,0|1,0,1]=4 607 B6R0.4 C=C(F)CNCC 2230a_100015525214_100009893438 [1,1,0,0,0,0|1,0,1]=4 608 B6R0.4 C=C(F)COCC 34a_100121572206_100009893438 [1,1,0,0,0,0|1,0,1]=4 609 B6R0.4 C=C(F)COCC 34a_200010262243_100000210202 [1,1,0,0,0,0|1,0,1]=4 610 B6R0.4 C=C(F)CSCC 62a_100000042424_100000210202 [1,1,0,0,0,0|1,0,1]=4 611 B6R0.4 C=C(F)CSCC 62a_100000210202_100000042424 [1,1,0,0,0,0|1,0,1]=4 612 B6R0.4 C=CC=CC(=O)C 1458a_100016291481_200000210301 [1,1,0,0,0,0|0,0,2]=4 613 B6R0.4 C=CC=CC(=O)[13CH3] 1458a_100016291481_200025704644 [1,1,0,0,0,0|0,0,2]=4 614 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [1,1,0,0,0,0|0,0,2]=4 615 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [1,1,0,0,0,0|0,0,2]=4 616 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [1,1,0,0,0,0|0,0,2]=4 617 B6R0.4 C=CCNC(=O)C 1626a_100020586998_100015343762 [1,1,0,0,0,0|1,0,1]=4 618 B6R0.4 C=CCNC(=O)C 240690a_100020586998_100015343762 [1,1,0,0,0,0|1,0,1]=4 619 B6R0.4 C=CCNC(=O)C 527a_100020586998_100103153847 [1,1,0,0,0,0|1,0,1]=4 620 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [1,1,0,0,0,0|0,0,2]=4 621 B6R0.4 CC(=CCN[13CH3])C 34a_100000718196_200025704644 [1,1,0,0,0,0|0,0,1]=3 622 B6R0.4 CC(=CCO[13CH3])C 34a_100000753907_200025704644 [1,1,0,0,0,0|0,0,1]=3 623 B6R0.4 CC(=CCS[13CH3])C 62a_100000761012_200025704644 [1,1,0,0,0,0|0,0,1]=3 624 B6R0.4 CC(=CCS[13CH3])C 62a_200025704644_100000761012 [1,1,0,0,0,0|0,0,1]=3 625 B6R0.4 CC(=O)C#CCO 1458a_100000049017_200000210301 [1,1,0,0,0,0|0,0,2]=4 626 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [1,1,0,0,0,0|0,0,2]=4 627 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [1,1,0,0,0,0|0,0,2]=4 628 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [1,1,0,0,0,0|0,0,1]=3 629 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [1,1,0,0,0,0|0,0,1]=3 630 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [1,1,0,0,0,0|0,0,1]=3 631 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [1,1,0,0,0,0|0,0,1]=3 632 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [1,1,0,0,0,0|0,0,1]=3 633 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [1,1,0,0,0,0|0,0,1]=3 634 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [1,1,0,0,0,0|1,0,1]=4 635 B6R0.4 CC(=O)NCC#N 1626a_100000734998_100015343762 [1,1,0,0,0,0|1,0,1]=4 636 B6R0.4 CC(=O)NCC#N 527a_100000734998_100103153847 [1,1,0,0,0,0|1,0,1]=4 637 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [1,1,0,0,0,0|1,0,0]=3 638 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [1,1,0,0,0,0|1,0,0]=3 639 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [1,1,0,0,0,0|1,0,0]=3 640 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [1,1,0,0,0,0|1,0,0]=3 641 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [1,1,0,0,0,0|1,0,0]=3 642 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [1,1,0,0,0,0|1,0,0]=3 643 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [1,1,0,0,0,0|1,0,0]=3 644 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [1,1,0,0,0,0|1,0,0]=3 645 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [1,1,0,0,0,0|0,0,1]=3 646 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [1,1,0,0,0,0|0,0,1]=3 647 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [1,1,0,0,0,0|0,0,1]=3 648 B6R0.4 CC=NNC(=O)C 4a_100000189765_200000210099 [1,1,0,0,0,0|1,0,1]=4 649 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [1,1,0,0,0,0|0,0,1]=3 650 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [1,1,0,0,0,0|0,0,1]=3 651 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [1,1,0,0,0,0|0,0,0]=2 652 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [1,1,0,0,0,0|0,0,0]=2 653 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [1,1,0,0,0,0|0,0,1]=3 654 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [1,1,0,0,0,0|0,0,1]=3 655 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [1,1,0,0,0,0|0,0,1]=3 656 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [1,1,0,0,0,0|0,0,1]=3 657 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [1,1,0,0,0,0|0,0,1]=3 658 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [1,1,0,0,0,0|0,0,1]=3 659 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [1,1,0,0,0,0|0,0,1]=3 660 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [1,1,0,0,0,0|1,0,1]=4 661 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [1,1,0,0,0,0|1,0,1]=4 662 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [1,1,0,0,0,0|1,0,1]=4 663 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [1,1,0,0,0,0|1,0,0]=3 664 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [1,1,0,0,0,0|0,0,1]=3 665 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [1,1,0,0,0,0|0,0,1]=3 666 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [1,1,0,0,0,0|1,0,1]=4 667 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [1,1,0,0,0,0|0,0,1]=3 668 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [1,1,0,0,0,0|1,0,1]=4 669 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [1,1,0,0,0,0|0,0,1]=3 670 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [1,1,0,0,0,0|1,0,1]=4 671 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [1,1,0,0,0,0|1,0,1]=4 672 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [1,1,0,0,0,0|0,0,1]=3 673 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [1,1,0,0,0,0|1,0,1]=4 674 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [1,1,0,0,0,0|1,0,1]=4 675 B6R0.4 CNCC=C(C)C 2230a_106832991635_100000761012 [1,1,0,0,0,0|0,0,1]=3 676 B6R0.4 CNCC=C(C)C 34a_100000718196_200000210301 [1,1,0,0,0,0|0,0,1]=3 677 B6R0.4 CNCC=C(C)C 34a_100102657272_100000761012 [1,1,0,0,0,0|0,0,1]=3 678 B6R0.4 CNCC=C(C)C 7a_106832991635_100000761012 [1,1,0,0,0,0|0,0,1]=3 679 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [1,1,0,0,0,0|0,0,1]=3 680 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [1,1,0,0,0,0|1,0,1]=4 681 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [1,1,0,0,0,0|1,0,1]=4 682 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [1,1,0,0,0,0|1,0,1]=4 683 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [1,1,0,0,0,0|1,0,0]=3 684 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [1,1,0,0,0,0|0,0,1]=3 685 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [1,1,0,0,0,0|0,0,1]=3 686 B6R0.4 COCC=C(C)C 34a_100000753907_200000210301 [1,1,0,0,0,0|0,0,1]=3 687 B6R0.4 COCC=C(C)C 34a_100138415774_100000761012 [1,1,0,0,0,0|0,0,1]=3 688 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [1,1,0,0,0,0|0,0,1]=3 689 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [1,1,0,0,0,0|0,0,1]=3 690 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [1,1,0,0,0,0|0,0,1]=3 691 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [1,1,0,0,0,0|0,0,1]=3 692 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [1,1,0,0,0,0|1,0,1]=4 693 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [1,1,0,0,0,0|1,0,1]=4 694 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [1,1,0,0,0,0|1,0,1]=4 695 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [1,1,0,0,0,0|0,0,1]=3 696 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [1,1,0,0,0,0|1,0,0]=3 697 B6R0.4 CSCC=C(C)C 62a_100000761012_200000210301 [1,1,0,0,0,0|0,0,1]=3 698 B6R0.4 CSCC=C(C)C 62a_200000210301_100000761012 [1,1,0,0,0,0|0,0,1]=3 699 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [1,1,0,0,0,0|0,0,1]=3 700 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [1,1,0,0,0,0|0,0,1]=3 701 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [1,1,0,0,0,0|0,0,1]=3 702 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [1,1,0,0,0,0|0,0,1]=3 703 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [1,1,0,0,0,0|1,0,1]=4 704 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [1,1,0,0,0,0|1,0,1]=4 705 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [1,1,0,0,0,0|0,0,1]=3 706 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [1,1,0,0,0,0|1,0,0]=3 707 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [1,1,0,0,0,0|1,0,0]=3 708 B6R0.4 [13CH3]C(=O)C#CCO 1458a_100000049017_200025704644 [1,1,0,0,0,0|0,0,2]=4 709 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [1,1,0,0,0,0|0,0,2]=4 710 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [1,1,0,0,0,0|1,0,1]=4 711 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [1,1,0,0,0,0|1,0,1]=4 712 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [1,1,0,0,0,0|1,0,1]=4 713 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [1,1,0,0,0,0|1,0,1]=4 714 B6R0.5 CCNS(=O)(=O)C 40a_100015525214_100000738038 [1,1,0,0,0,0|2,0,0]=4 715 B6R0.6 C/C=C/CCOC 34a_100016278192_200000210301 [1,1,0,0,0,0|1,0,1]=4 716 B6R0.6 C/C=C/CCO[13CH3] 34a_100016278192_200025704644 [1,1,0,0,0,0|1,0,1]=4 717 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [1,1,0,0,0,0|1,0,1]=4 718 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [1,1,0,0,0,0|1,0,1]=4 719 B6R0.6 C/C=C/CSCC 62a_100000210202_100102629194 [1,1,0,0,0,0|1,0,1]=4 720 B6R0.6 C/C=C/CSCC 62a_100102629194_100000210202 [1,1,0,0,0,0|1,0,1]=4 721 B6R0.6 CC/C=C\CNC 2230a_106832991635_100103147603 [1,1,0,0,0,0|1,0,1]=4 722 B6R0.6 CC/C=C\CNC 34a_100102657272_100103147603 [1,1,0,0,0,0|1,0,1]=4 723 B6R0.6 CC/C=C\CNC 7a_106832991635_100103147603 [1,1,0,0,0,0|1,0,1]=4 724 B6R0.6 CC/C=C\COC 34a_100016268518_200000210301 [1,1,0,0,0,0|0,0,2]=4 725 B6R0.6 CC/C=C\COC 34a_100138415774_100103147603 [1,1,0,0,0,0|0,0,2]=4 726 B6R0.6 CC/C=C\CO[13CH3] 34a_100016268518_200025704644 [1,1,0,0,0,0|0,0,2]=4 727 B6R0.6 CC/C=C\CSC 62a_100103147603_200000210301 [1,1,0,0,0,0|0,1,1]=4 728 B6R0.6 CC/C=C\CSC 62a_200000210301_100103147603 [1,1,0,0,0,0|0,1,1]=4 729 B6R0.6 CC/C=C\CS[13CH3] 62a_100103147603_200025704644 [1,1,0,0,0,0|0,1,1]=4 730 B6R0.6 CC/C=C\CS[13CH3] 62a_200025704644_100103147603 [1,1,0,0,0,0|0,1,1]=4 731 B6R0.6 CC=CCNCC 2230a_100015525214_100000070051 [1,1,0,0,0,0|1,0,1]=4 732 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [1,1,0,0,0,0|1,0,1]=4 733 B6R0.6 CC=CCSCC 62a_100000070051_100000210202 [1,1,0,0,0,0|1,0,1]=4 734 B6R0.6 CC=CCSCC 62a_100000210202_100000070051 [1,1,0,0,0,0|1,0,1]=4 735 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [1,1,0,0,0,0|0,0,2]=4 736 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [1,1,0,0,0,0|0,0,2]=4 737 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [1,1,0,0,0,0|0,0,2]=4 738 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [1,1,0,0,0,0|0,0,2]=4 739 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [1,1,0,0,0,0|0,0,2]=4 740 B6R0.6 COCSCC=O 62a_100000766300_200015260668 [1,1,0,0,0,0|1,0,1]=4 741 B6R0.6 COCSCC=O 62a_200015260668_100000766300 [1,1,0,0,0,0|1,0,1]=4 742 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [1,1,0,0,0,0|0,0,2]=4 743 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [1,1,0,0,0,0|0,0,2]=4 744 B6R0.6 CSCSCC=O 62a_100011218213_200015260668 [1,1,0,0,0,0|1,0,1]=4 745 B6R0.6 CSCSCC=O 62a_200015260668_100011218213 [1,1,0,0,0,0|1,0,1]=4 746 B6R0.6 NCCOCC=O 34a_100000210304_200009817547 [1,1,0,0,0,0|1,0,1]=4 747 B6R0.6 O=CCNCCF 34a_100000724931_200009817547 [1,1,0,0,0,0|1,0,1]=4 748 B6R0.6 O=CCNCCO 2230a_100016997473_200015260668 [1,1,0,0,0,0|1,0,1]=4 749 B6R0.6 O=CCNCCO 34a_100016990907_200009817547 [1,1,0,0,0,0|1,0,1]=4 750 B6R0.6 O=CCOCCBr 34a_100000211926_200009817547 [1,1,0,0,0,0|1,0,1]=4 751 B6R0.6 O=CCSCCF 62a_100011217306_200015260668 [1,1,0,0,0,0|1,0,1]=4 752 B6R0.6 O=CCSCCF 62a_200015260668_100011217306 [1,1,0,0,0,0|1,0,1]=4 753 B6R0.6 O=CCSCCO 62a_100000211926_200015260668 [1,1,0,0,0,0|1,0,1]=4 754 B6R0.6 O=CCSCCO 62a_200015260668_100000211926 [1,1,0,0,0,0|1,0,1]=4 755 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [1,1,0,0,0,0|0,0,2]=4 756 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [1,1,0,0,0,0|0,0,2]=4 757 B6R0.9 C=CC(CC)OC 34a_100000766422_200000210301 [1,1,0,0,0,0|1,0,1]=4 758 B6R0.9 C=CC(CC)OC 7a_100000766422_200000210301 [1,1,0,0,0,0|1,0,1]=4 759 B6R0.9 C=CC(CC)O[13CH3] 34a_100000766422_200025704644 [1,1,0,0,0,0|1,0,1]=4 760 B6R0.9 C=CC(CC)O[13CH3] 7a_100000766422_200025704644 [1,1,0,0,0,0|1,0,1]=4 761 B6R0.9 CNC(C=O)C=O 2230a_106832991635_100000736813 [1,1,0,0,0,0|1,0,1]=4 762 B6R0.9 CNC(C=O)C=O 34a_100102657272_100000736813 [1,1,0,0,0,0|1,0,1]=4 763 B6R0.9 COC(C=O)C=O 34a_100138415774_100000736813 [1,1,0,0,0,0|1,0,1]=4 764 B6R0.9 CSC(C=O)C=O 62a_100000736813_200000210301 [1,1,0,0,0,0|1,0,1]=4 765 B6R0.9 CSC(C=O)C=O 62a_200000210301_100000736813 [1,1,0,0,0,0|1,0,1]=4 766 B6R0.9 [13CH3]SC(C=O)C=O 62a_100000736813_200025704644 [1,1,0,0,0,0|1,0,1]=4 767 B6R0.9 [13CH3]SC(C=O)C=O 62a_200025704644_100000736813 [1,1,0,0,0,0|1,0,1]=4 768 B8R0.2 C/C=C(\C)/C(=O)C(C)C 1458a_100020587367_100000210206 [0,2,0,0,0,0|1,0,0]=3 769 B8R0.2 C/C=C(\C)/C(=O)N(C)C 11a_100102631434_100020587367 [0,2,0,0,0,0|2,0,0]=4 770 B8R0.2 C/C=C(\C)/C(=O)N(C)C 1626a_100102631434_100020587367 [0,2,0,0,0,0|2,0,0]=4 771 B8R0.2 C=CC(C)C(=O)C(C)C 1458a_100011216780_100000210206 [0,2,0,0,0,0|1,0,1]=4 772 B8R0.2 CC(=O)C(C)C(=O)CO 1458a_100000210174_100000179758 [0,2,0,0,0,0|1,0,1]=4 773 B8R0.2 CC(C(=O)N)C(=O)CO 1458a_100000210174_100000702099 [0,2,0,0,0,0|1,0,1]=4 774 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000070787_100000742827 [0,2,0,0,0,0|0,0,1]=3 775 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000210414_100000179758 [0,2,0,0,0,0|0,0,1]=3 776 B8R0.2 CCC(=O)C(C)C(=O)N 1458a_100000210414_100000702099 [0,2,0,0,0,0|0,0,1]=3 777 B8R0.2 CCC(=O)C(F)C(=O)N 1458a_100000210414_100009813875 [0,2,0,0,0,0|1,0,1]=4 778 B8R0.2 CCC(=O)C(F)C(=O)[O-] 1458a_100000210414_100020610796 [0,2,0,0,0,0|1,0,1]=4 779 B8R0.2 CCC(C)N(C)C(=O)C 11a_100000741768_100015343762 [0,2,0,0,0,0|1,0,1]=4 780 B8R0.2 CCC(C)N(C)C(=O)C 1626a_100000741768_100015343762 [0,2,0,0,0,0|1,0,1]=4 781 B8R0.2 CCC(C)N(C)C(=O)C 240690a_100000741768_100015343762 [0,2,0,0,0,0|1,0,1]=4 782 B8R0.2 CCC(C)N(C)C(=O)C 527a_100000741768_100103153847 [0,2,0,0,0,0|1,0,1]=4 783 B8R0.2 CCN(C)C(=O)C(=O)N 240690a_100000225621_100011215815 [0,2,0,0,0,0|2,0,0]=4 784 B8R0.2 CCN(C)C(C)C(=O)C 1458a_100011281945_200000210301 [0,2,0,0,0,0|1,0,1]=4 785 B8R0.2 CCN(C)C(C)C(=O)C 2230a_100000225621_100009814033 [0,2,0,0,0,0|1,0,1]=4 786 B8R0.2 CCN(C)C(C)C(=O)C 269982a_100000225621_100009814033 [0,2,0,0,0,0|1,0,1]=4 787 B8R0.2 CCN(C)C(C)C(=O)N 2230a_100000225621_100000702099 [0,2,0,0,0,0|1,0,1]=4 788 B8R0.2 CCN(C)C(C)C(=O)N 2230a_100020603310_200000210301 [0,2,0,0,0,0|1,0,1]=4 789 B8R0.2 CCN(C)C(C)C(=O)N 269982a_100000225621_100000184083 [0,2,0,0,0,0|1,0,1]=4 790 B8R0.2 CCN(C)C(C)C(=O)N 269982a_100020603310_200000210301 [0,2,0,0,0,0|1,0,1]=4 791 B8R0.2 CCN(C)C(C)C(=O)O 269956a_100000749554_100000210202 [0,2,0,0,0,0|1,0,1]=4 792 B8R0.2 CCN(C)C(C)C(=O)[13CH3] 1458a_100011281945_200025704644 [0,2,0,0,0,0|1,0,1]=4 793 B8R0.2 CCN([13CH3])C(C)C(=O)N 2230a_100020603310_200025704644 [0,2,0,0,0,0|1,0,1]=4 794 B8R0.2 CCN([13CH3])C(C)C(=O)N 269982a_100020603310_200025704644 [0,2,0,0,0,0|1,0,1]=4 795 B8R0.2 CNC(=O)C(C)C(=O)C 1458a_100000070787_100000209862 [0,2,0,0,0,0|1,0,1]=4 796 B8R0.2 COC(=O)C(C)C(=O)C 1458a_100000070787_100000211248 [0,2,0,0,0,0|1,0,1]=4 797 B8R0.2 COC(=O)C(C)C(=O)C 1458a_100012027023_200000210301 [0,2,0,0,0,0|1,0,1]=4 798 B8R0.2 COC(=O)C(C)C(=O)[13CH3] 1458a_100012027023_200025704644 [0,2,0,0,0,0|1,0,1]=4 799 B8R0.5 C=C(CCC)CC(=O)C 1458a_100000138376_200000210301 [0,2,0,0,0,0|0,0,2]=4 800 B8R0.5 C=C(CCC)CC(=O)[13CH3] 1458a_100000138376_200025704644 [0,2,0,0,0,0|0,0,2]=4 801 B8R0.5 CC(C)CN(C)CC=O 2230a_100000747067_200015260668 [0,2,0,0,0,0|1,0,1]=4 802 B8R0.5 CC(C)CN(C)CC=O 269982a_100000747067_200015260668 [0,2,0,0,0,0|1,0,1]=4 803 B8R0.5 CC(O)CN(C)CC=O 2230a_100000227577_200015260668 [0,2,0,0,0,0|1,0,1]=4 804 B8R0.5 CC(O)CN(C)CC=O 269982a_100000227577_200015260668 [0,2,0,0,0,0|1,0,1]=4 805 B8R0.5 CC=CC(=O)CC(=O)N 1458a_100000210699_100000187820 [0,2,0,0,0,0|1,0,1]=4 806 B8R0.5 CC=CC(=O)CC(=O)[O-] 1458a_100000210699_100020667443 [0,2,0,0,0,0|1,0,1]=4 807 B8R0.5 CCCC(=CC(=O)C)C 1458a_100020676950_200000210301 [0,2,0,0,0,0|0,0,1]=3 808 B8R0.5 CCCC(=CC(=O)[13CH3])C 1458a_100020676950_200025704644 [0,2,0,0,0,0|0,0,1]=3 809 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [0,2,0,0,0,0|1,0,1]=4 810 B8R0.5 CCCC(=O)CC(=O)N 1458a_100000211992_100000187820 [0,2,0,0,0,0|1,0,1]=4 811 B8R0.5 CCCC(=O)CC(=O)N 1458a_100134613110_100000210303 [0,2,0,0,0,0|1,0,1]=4 812 B8R0.5 CCCC(=O)CC(=O)[O-] 1458a_100000211992_100020667443 [0,2,0,0,0,0|1,0,1]=4 813 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [0,2,0,0,0,0|0,0,2]=4 814 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [0,2,0,0,0,0|0,0,2]=4 815 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [0,2,0,0,0,0|0,0,2]=4 816 B8R0.5 CCCC(C)NC(=O)C 11a_100000741246_100015343762 [0,2,0,0,0,0|0,0,2]=4 817 B8R0.5 CCCC(C)NC(=O)C 1626a_100000741246_100015343762 [0,2,0,0,0,0|0,0,2]=4 818 B8R0.5 CCCC(C)NC(=O)C 240690a_100000741246_100015343762 [0,2,0,0,0,0|0,0,2]=4 819 B8R0.5 CCCC(C)NC(=O)C 527a_100000741246_100103153847 [0,2,0,0,0,0|0,0,2]=4 820 B8R0.5 CCCN(C)CC(=O)N 2230a_100000739694_100000210303 [0,2,0,0,0,0|1,0,1]=4 821 B8R0.5 CCCN(C)CC(=O)N 2230a_100000747261_100000747473 [0,2,0,0,0,0|1,0,1]=4 822 B8R0.5 CCCN(C)CC(=O)N 269982a_100000747261_100000187820 [0,2,0,0,0,0|1,0,1]=4 823 B8R0.5 CCCN(C)CC(=O)O 269956a_100000746989_100000210207 [0,2,0,0,0,0|1,0,1]=4 824 B8R0.5 CCCN(C)CC(=O)[O-] 269982a_100000747261_100020667443 [0,2,0,0,0,0|1,0,1]=4 825 B8R0.5 CCNC(=O)CC(=O)C 1458a_100000070787_100000183381 [0,2,0,0,0,0|2,0,0]=4 826 B8R0.5 CCNC(=O)CC(=O)N 240690a_100015525214_100134613110 [0,2,0,0,0,0|2,0,0]=4 827 B8R0.5 CCNC(=O)CC(=O)N 527a_100015525214_100134613110 [0,2,0,0,0,0|2,0,0]=4 828 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000070787_100000188475 [0,2,0,0,0,0|2,0,0]=4 829 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000243816_200000210301 [0,2,0,0,0,0|2,0,0]=4 830 B8R0.5 CCOC(=O)CC(=O)[13CH3] 1458a_100000243816_200025704644 [0,2,0,0,0,0|2,0,0]=4 831 B8R0.5 CCSC(C)CC(=O)C 1458a_200011311441_200000210301 [0,2,0,0,0,0|1,0,1]=4 832 B8R0.5 CCSC(C)CC(=O)[13CH3] 1458a_200011311441_200025704644 [0,2,0,0,0,0|1,0,1]=4 833 B8R0.5 CCSC(C)OC(=O)C 62a_100000210202_100009818208 [0,2,0,0,0,0|1,0,1]=4 834 B8R0.5 CCSC(C)OC(=O)C 62a_100009818208_100000210202 [0,2,0,0,0,0|1,0,1]=4 835 B8R0.19 C=CC(=O)CC(=O)CC 1458a_100000185746_100000747405 [0,2,0,0,0,0|2,0,0]=4 836 B8R0.19 C=CC(C)CC(=O)CC 1458a_100011934298_100000210202 [0,2,0,0,0,0|1,0,1]=4 837 B8R0.19 CCC(=O)C=C(C)CC 1458a_100020758463_100000210202 [0,2,0,0,0,0|1,0,1]=4 838 B8R0.23 CC(=O)C(=O)NC(C)C 1458a_100011220036_200000210301 [0,2,0,0,0,0|2,0,0]=4 839 B8R0.23 CC(=O)C(C)CC(C)C 1458a_100000070787_100000731052 [0,2,0,0,0,0|0,0,2]=4 840 B8R0.23 CC(=O)C(C)NC(C)C 2230a_100138425928_100009814033 [0,2,0,0,0,0|1,0,1]=4 841 B8R0.23 CC(=O)C(C)OC(C)C 34a_100000212229_100000210206 [0,2,0,0,0,0|1,0,1]=4 842 B8R0.23 CC(=O)C(C)SC(C)C 62a_100000210206_100009814033 [0,2,0,0,0,0|1,0,1]=4 843 B8R0.23 CC(=O)C(C)SC(C)C 62a_100009814033_100000210206 [0,2,0,0,0,0|1,0,1]=4 844 B8R0.23 CC(=O)N(C)CC(C)C 11a_100000747067_100015343762 [0,2,0,0,0,0|1,0,1]=4 845 B8R0.23 CC(=O)N(C)CC(C)C 1626a_100000747067_100015343762 [0,2,0,0,0,0|1,0,1]=4 846 B8R0.23 CC(=O)N(C)CC(C)C 240690a_100000747067_100015343762 [0,2,0,0,0,0|1,0,1]=4 847 B8R0.23 CC(=O)N(C)CC(C)C 527a_100000747067_100103153847 [0,2,0,0,0,0|1,0,1]=4 848 B8R0.23 CC(=O)N(C)CC(C)O 240690a_100000227577_100015343762 [0,2,0,0,0,0|1,0,1]=4 849 B8R0.23 CC(=O)N(C)CC(C)O 527a_100000227577_100103153847 [0,2,0,0,0,0|1,0,1]=4 850 B8R0.23 CC(C)NC(=O)C(=O)N 240690a_100138425928_100011215815 [0,2,0,0,0,0|2,0,0]=4 851 B8R0.23 CC(C)NC(=O)C(=O)[13CH3] 1458a_100011220036_200025704644 [0,2,0,0,0,0|2,0,0]=4 852 B8R0.23 CC(C)NC(C)C(=O)N 2230a_100138425928_100000702099 [0,2,0,0,0,0|1,0,1]=4 853 B8R0.23 CC(C)NC(C)C(=O)N 34a_100138425928_100000702099 [0,2,0,0,0,0|1,0,1]=4 854 B8R0.23 CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000210206 [0,2,0,0,0,0|1,0,1]=4 855 B8R0.23 CC(C)N[C@H](C)C(=O)N 2230a_100000119354_100000210206 [0,2,0,0,0,0|1,0,1]=4 856 B8R0.23 CC(C)N[C@H](C)C(=O)N 34a_100000119354_100000210206 [0,2,0,0,0,0|1,0,1]=4 857 B8R0.23 CC(C)OC(C)C(=O)N 34a_100000212225_100000702099 [0,2,0,0,0,0|1,0,1]=4 858 B8R0.23 CC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000210206 [0,2,0,0,0,0|1,0,1]=4 859 B8R0.23 CC(C)O[C@H](C)C(=O)N 34a_100000731257_100000210206 [0,2,0,0,0,0|1,0,1]=4 860 B8R0.23 CC(C)O[C@H](C)C(=O)N 7a_100000731257_100000210206 [0,2,0,0,0,0|1,0,1]=4 861 B8R0.23 CC(C)SC(C)C(=O)N 62a_100000210206_100000702099 [0,2,0,0,0,0|1,0,1]=4 862 B8R0.23 CC(C)SC(C)C(=O)N 62a_100000702099_100000210206 [0,2,0,0,0,0|1,0,1]=4 863 B8R0.1 C/C=C/C(C)OCC=O 34a_200102604097_200009817547 [0,2,0,0,0,0|0,0,2]=4 864 B8R0.1 C=CCC(=O)C=CCC 1458a_100000212282_100000210623 [0,2,0,0,0,0|2,0,0]=4 865 B8R0.1 CC=CC(=NNCC)C 4a_100000756455_100011218416 [0,2,0,0,0,0|2,0,0]=4 866 B8R0.1 CCCC(C)NCC=O 2230a_100000741246_200015260668 [0,2,0,0,0,0|0,0,2]=4 867 B8R0.1 CCCC(C)OCC=O 34a_100000764384_200009817547 [0,2,0,0,0,0|0,0,2]=4 868 B8R0.1 CCCC(C)OCC=O 7a_100000764384_200015260668 [0,2,0,0,0,0|0,0,2]=4 869 B8R0.1 CCCC(C)SCC=O 62a_100000766640_200015260668 [0,2,0,0,0,0|0,0,2]=4 870 B8R0.1 CCCC(C)SCC=O 62a_200015260668_100000766640 [0,2,0,0,0,0|0,0,2]=4 871 B8R0.1 CCCCN(C)CC=O 2230a_100000207549_200015260668 [0,2,0,0,0,0|1,0,1]=4 872 B8R0.1 CCCCN(C)CC=O 269982a_100000207549_200015260668 [0,2,0,0,0,0|1,0,1]=4 873 B8R0.1 CN(CC=O)CCCO 2230a_100000213112_200015260668 [0,2,0,0,0,0|1,0,1]=4 874 B8R0.1 CN(CC=O)CCCO 269982a_100000213112_200015260668 [0,2,0,0,0,0|1,0,1]=4 875 B8R0.1 COCCN(C)CC=O 2230a_100000743101_200015260668 [0,2,0,0,0,0|1,0,1]=4 876 B8R0.1 COCCN(C)CC=O 269982a_100000743101_200015260668 [0,2,0,0,0,0|1,0,1]=4 877 B8R0.1 CSCCN(C)CC=O 2230a_100000686725_200015260668 [0,2,0,0,0,0|1,0,1]=4 878 B8R0.1 CSCCN(C)CC=O 269982a_100000686725_200015260668 [0,2,0,0,0,0|1,0,1]=4 879 B8R0.3 C#CC(=O)C(C)CCC 1458a_100000211873_100000766640 [0,2,0,0,0,0|0,0,2]=4 880 B8R0.3 C#CCC(=O)/C(=C/C)/C 1458a_100020587367_100000184674 [0,2,0,0,0,0|1,0,1]=4 881 B8R0.3 C/C=C(\C)/C(=O)CC#N 1458a_100020587367_100011214920 [0,2,0,0,0,0|1,0,1]=4 882 B8R0.3 C/C=C(\C)/C(=O)CCC 1458a_100020587367_100000210303 [0,2,0,0,0,0|1,0,0]=3 883 B8R0.3 C/C=C(\C)/C(=O)CCF 1458a_100020587367_100011217306 [0,2,0,0,0,0|1,0,0]=3 884 B8R0.3 C/C=C(\C)/C(=O)CCO 1458a_100020587367_100000211926 [0,2,0,0,0,0|1,0,0]=3 885 B8R0.3 C/C=C(\C)/C(=O)NCC 11a_100015525214_100020587367 [0,2,0,0,0,0|1,0,0]=3 886 B8R0.3 C/C=C(\C)/C(=O)NNC 22a_100016993582_100020587367 [0,2,0,0,0,0|2,0,0]=4 887 B8R0.3 C/C=C(\C)/C(C)NCC 269862a_100015525214_100020675665 [0,2,0,0,0,0|1,0,1]=4 888 B8R0.3 C=CC(=O)C(C)CCC 1458a_100000185746_100000766640 [0,2,0,0,0,0|0,0,2]=4 889 B8R0.3 C=CC(=O)N(C)CCC 1626a_100000747261_100000185746 [0,2,0,0,0,0|1,0,1]=4 890 B8R0.3 C=CC(=O)N(C)CCC 240690a_100000747261_200121576911 [0,2,0,0,0,0|1,0,1]=4 891 B8R0.3 C=CC(C)C(=O)CCC 1458a_100011216780_100000210303 [0,2,0,0,0,0|1,0,1]=4 892 B8R0.3 C=CC(C)C(=O)CCF 1458a_100011216780_100011217306 [0,2,0,0,0,0|1,0,1]=4 893 B8R0.3 C=CC(C)C(=O)CCO 1458a_100011216780_100000211926 [0,2,0,0,0,0|1,0,1]=4 894 B8R0.3 C=CC(C)C(=O)NCC 11a_100015525214_100011216780 [0,2,0,0,0,0|1,0,1]=4 895 B8R0.3 C=CC(C)C(=O)NCC 240690a_100015525214_100011216780 [0,2,0,0,0,0|1,0,1]=4 896 B8R0.3 C=CC(C)C(=O)NCC 527a_100015525214_100011216780 [0,2,0,0,0,0|1,0,1]=4 897 B8R0.3 C=CCC(=O)/C(=C/C)/C 1458a_100020587367_100000210623 [0,2,0,0,0,0|1,0,1]=4 898 B8R0.3 C=CCC(C)C(=O)CC 1458a_100011216819_100000210202 [0,2,0,0,0,0|1,0,1]=4 899 B8R0.3 C=CCN(C)C(=O)CC 11a_100000225617_100000210414 [0,2,0,0,0,0|2,0,0]=4 900 B8R0.3 C=CCN(C)C(=O)CC 1626a_100000225617_100000210414 [0,2,0,0,0,0|2,0,0]=4 901 B8R0.3 C=CCN(C)C(=O)CC 240690a_100000225617_100000210414 [0,2,0,0,0,0|2,0,0]=4 902 B8R0.3 C=CCN(C)C(=O)CC 527a_100000225617_100000210414 [0,2,0,0,0,0|2,0,0]=4 903 B8R0.3 CC/C=C(\C)/C(=O)CC 1458a_100016988807_100000210202 [0,2,0,0,0,0|0,0,0]=2 904 B8R0.3 CC/C=C(\C)/C(=O)CF 1458a_100016988807_100015361967 [0,2,0,0,0,0|0,0,0]=2 905 B8R0.3 CC/C=C(\C)/C(=O)NC 11a_106832991635_100016988807 [0,2,0,0,0,0|0,0,0]=2 906 B8R0.3 CC/C=C(\C)/C(=O)NC 1626a_100102657272_100016988807 [0,2,0,0,0,0|0,0,0]=2 907 B8R0.3 CC/C=C(\C)/C(=O)NC 240690a_100102657272_100016988807 [0,2,0,0,0,0|0,0,0]=2 908 B8R0.3 CC/C=C(\C)/C(=O)NC 527a_100102657272_100016988807 [0,2,0,0,0,0|0,0,0]=2 909 B8R0.3 CCC(=O)/C(=N/OC)/C 1458a_100160996864_100000210202 [0,2,0,0,0,0|1,0,1]=4 910 B8R0.3 CCC(C)N(C)CC=O 2230a_100000741768_200015260668 [0,2,0,0,0,0|1,0,1]=4 911 B8R0.3 CCC(C)N(C)CC=O 269982a_100000741768_200015260668 [0,2,0,0,0,0|1,0,1]=4 912 B8R0.3 CCCC(=O)C(=O)NC 1458a_100011218921_100000210303 [0,2,0,0,0,0|1,0,1]=4 913 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210414_100000766640 [0,2,0,0,0,0|0,0,2]=4 914 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210906_100000210202 [0,2,0,0,0,0|0,0,2]=4 915 B8R0.3 CCCC(C)C(=O)CF 1458a_100000210906_100015361967 [0,2,0,0,0,0|0,0,2]=4 916 B8R0.3 CCCC(C)C(=O)CO 1458a_100000210174_100000766640 [0,2,0,0,0,0|0,0,2]=4 917 B8R0.3 CCCC(C)C(=O)NC 11a_106832991635_100000210906 [0,2,0,0,0,0|0,0,2]=4 918 B8R0.3 CCCC(C)C(=O)NC 1626a_100102657272_100000210906 [0,2,0,0,0,0|0,0,2]=4 919 B8R0.3 CCCC(C)C(=O)NC 240690a_100102657272_100000210906 [0,2,0,0,0,0|0,0,2]=4 920 B8R0.3 CCCC(C)C(=O)NC 527a_100102657272_100000210906 [0,2,0,0,0,0|0,0,2]=4 921 B8R0.3 CCCN(C)C(=O)CC 11a_100000747261_100000210414 [0,2,0,0,0,0|1,0,1]=4 922 B8R0.3 CCCN(C)C(=O)CC 1626a_100000747261_100000210414 [0,2,0,0,0,0|1,0,1]=4 923 B8R0.3 CCCN(C)C(=O)CC 240690a_100000747261_100000210414 [0,2,0,0,0,0|1,0,1]=4 924 B8R0.3 CCCN(C)C(=O)CC 527a_100000747261_100000210414 [0,2,0,0,0,0|1,0,1]=4 925 B8R0.3 CCCN(C)C(=O)CO 240690a_100000747261_100000210174 [0,2,0,0,0,0|1,0,1]=4 926 B8R0.3 CCCN(C)C(=O)CO 527a_100000747261_100000210174 [0,2,0,0,0,0|1,0,1]=4 927 B8R0.3 CCCN(C)C(=O)NC 2708a_100102657272_100000747261 [0,2,0,0,0,0|1,0,1]=4 928 B8R0.3 CCCN(C)C(=O)NC 273464a_100102657272_100000747261 [0,2,0,0,0,0|1,0,1]=4 929 B8R0.3 CCNC(=O)C(=O)CC 1458a_200011297158_100000210202 [0,2,0,0,0,0|2,0,0]=4 930 B8R0.3 CCNC(=O)C(=O)CF 1458a_200011297158_100015361967 [0,2,0,0,0,0|2,0,0]=4 931 B8R0.3 CCNC(=O)C(=O)NC 1626a_100102657272_200011297158 [0,2,0,0,0,0|2,0,0]=4 932 B8R0.3 CCNC(=O)C(=O)NC 240690a_100015525214_100011218921 [0,2,0,0,0,0|2,0,0]=4 933 B8R0.3 CCNC(=O)C(=O)NC 240690a_100102657272_200011297158 [0,2,0,0,0,0|2,0,0]=4 934 B8R0.3 CCNC(=O)C(=O)NC 527a_100015525214_100011218921 [0,2,0,0,0,0|2,0,0]=4 935 B8R0.3 CCNC(=O)C(=O)NC 527a_100102657272_200011297158 [0,2,0,0,0,0|2,0,0]=4 936 B8R0.3 CCNC(=O)C(=O)OC 11a_100015525214_100000024059 [0,2,0,0,0,0|2,0,0]=4 937 B8R0.3 CCNC(=O)C(=O)OC 240690a_100015525214_100000024059 [0,2,0,0,0,0|2,0,0]=4 938 B8R0.3 CCNC(=O)C(=O)OC 527a_100015525214_100000024059 [0,2,0,0,0,0|2,0,0]=4 939 B8R0.3 CCNC(C)C(=O)CC 2230a_100015525214_100000742827 [0,2,0,0,0,0|1,0,1]=4 940 B8R0.3 CCNC(C)C(=O)NC 2230a_100015525214_100000731044 [0,2,0,0,0,0|1,0,1]=4 941 B8R0.3 CCNC(C)C(=O)OC 2230a_100015525214_100000211248 [0,2,0,0,0,0|1,0,1]=4 942 B8R0.3 CCN[C@H](C)C(=O)NC 2230a_100000684985_100000210202 [0,2,0,0,0,0|1,0,1]=4 943 B8R0.3 CCN[C@H](C)C(=O)NC 34a_100000684985_100000210202 [0,2,0,0,0,0|1,0,1]=4 944 B8R0.3 CCOC(=O)C(=O)NC 11a_106832991635_100014798877 [0,2,0,0,0,0|2,0,0]=4 945 B8R0.3 CCOC(=O)C(=O)NC 1626a_100102657272_100014798877 [0,2,0,0,0,0|2,0,0]=4 946 B8R0.3 CCOC(=O)C(=O)NC 240690a_100102657272_100014798877 [0,2,0,0,0,0|2,0,0]=4 947 B8R0.3 CCOC(C)C(=O)CC 1458a_100000739345_100000210202 [0,2,0,0,0,0|1,0,1]=4 948 B8R0.3 CCOC(C)C(=O)CF 1458a_100000739345_100015361967 [0,2,0,0,0,0|1,0,1]=4 949 B8R0.3 CCOC(C)C(=O)NC 11a_106832991635_100000739345 [0,2,0,0,0,0|1,0,1]=4 950 B8R0.3 CCOC(C)C(=O)NC 1626a_100102657272_100000739345 [0,2,0,0,0,0|1,0,1]=4 951 B8R0.3 CCOC(C)C(=O)NC 240690a_100102657272_100000739345 [0,2,0,0,0,0|1,0,1]=4 952 B8R0.3 CCOC(C)C(=O)NC 34a_100121572206_100000731044 [0,2,0,0,0,0|1,0,1]=4 953 B8R0.3 CCOC(C)C(=O)NC 527a_100102657272_100000739345 [0,2,0,0,0,0|1,0,1]=4 954 B8R0.3 CCOC(C)C(=O)NN 34a_100000725659_100000210202 [0,2,0,0,0,0|1,0,1]=4 955 B8R0.3 CCOC(C)C(=O)OC 34a_100011215400_100000210202 [0,2,0,0,0,0|1,0,1]=4 956 B8R0.3 CCOC(C)C(=O)OC 34a_100121572206_100000211248 [0,2,0,0,0,0|1,0,1]=4 957 B8R0.3 CCSC(C)C(=O)CC 1458a_100000230601_100000210202 [0,2,0,0,0,0|1,0,1]=4 958 B8R0.3 CCSC(C)C(=O)CC 62a_100000210202_100000742827 [0,2,0,0,0,0|1,0,1]=4 959 B8R0.3 CCSC(C)C(=O)CC 62a_100000742827_100000210202 [0,2,0,0,0,0|1,0,1]=4 960 B8R0.3 CCSC(C)C(=O)CF 1458a_100000230601_100015361967 [0,2,0,0,0,0|1,0,1]=4 961 B8R0.3 CCSC(C)C(=O)NC 11a_106832991635_100000230601 [0,2,0,0,0,0|1,0,1]=4 962 B8R0.3 CCSC(C)C(=O)NC 1626a_100102657272_100000230601 [0,2,0,0,0,0|1,0,1]=4 963 B8R0.3 CCSC(C)C(=O)NC 240690a_100102657272_100000230601 [0,2,0,0,0,0|1,0,1]=4 964 B8R0.3 CCSC(C)C(=O)NC 527a_100102657272_100000230601 [0,2,0,0,0,0|1,0,1]=4 965 B8R0.3 CCSC(C)C(=O)NC 62a_100000209862_100000210202 [0,2,0,0,0,0|1,0,1]=4 966 B8R0.3 CCSC(C)C(=O)NC 62a_100000210202_100000731044 [0,2,0,0,0,0|1,0,1]=4 967 B8R0.3 CCSC(C)C(=O)OC 62a_100000210202_100000211248 [0,2,0,0,0,0|1,0,1]=4 968 B8R0.3 CCSC(C)C(=O)OC 62a_100000211248_100000210202 [0,2,0,0,0,0|1,0,1]=4 969 B8R0.3 CNC(=O)/C(=N/OC)/C 11a_106832991635_100160996864 [0,2,0,0,0,0|2,0,0]=4 970 B8R0.3 CNC(=O)/C(=N/OC)/C 240690a_100102657272_100160996864 [0,2,0,0,0,0|2,0,0]=4 971 B8R0.3 CO/N=C(\C)/C(=O)CF 1458a_100160996864_100015361967 [0,2,0,0,0,0|2,0,0]=4 972 B8R0.6 C#C/C(=C\COCC)/C 34a_100016990848_100000210202 [0,2,0,0,0,0|1,0,1]=4 973 B8R0.6 C#C/C(=C\COCF)/C 34a_100016990848_100015361967 [0,2,0,0,0,0|1,0,1]=4 974 B8R0.6 C/C=C(\C)/C=NNCC 4a_100000756455_100020587592 [0,2,0,0,0,0|1,0,0]=3 975 B8R0.6 C=CC(=NNCCC)C 4a_100000740057_200015361842 [0,2,0,0,0,0|1,0,1]=4 976 B8R0.6 C=CC(=NNCCO)C 4a_100000210001_200015361842 [0,2,0,0,0,0|2,0,0]=4 977 B8R0.6 C=CC(=O)C/C=C\CC 1458a_100000185746_100103147603 [0,2,0,0,0,0|2,0,0]=4 978 B8R0.6 CCNN=C/C(=C\N)/C 4a_100000756455_100050415766 [0,2,0,0,0,0|1,0,0]=3 979 B8R0.8 C=C(C)C(=NNCC)C 4a_100000756455_100011216138 [0,2,0,0,0,0|2,0,0]=4 980 B8R0.8 CC(=O)C(C)NCCO 2230a_100016997473_100009814033 [0,2,0,0,0,0|1,0,1]=4 981 B8R0.8 CC(=O)C(C)OCCF 34a_100000212229_100011217306 [0,2,0,0,0,0|1,0,1]=4 982 B8R0.8 CC(=O)C(C)OCCO 34a_100000212229_100000211926 [0,2,0,0,0,0|1,0,1]=4 983 B8R0.8 CC(=O)C(C)SCCF 62a_100009814033_100011217306 [0,2,0,0,0,0|1,0,1]=4 984 B8R0.8 CC(=O)C(C)SCCF 62a_100011217306_100009814033 [0,2,0,0,0,0|1,0,1]=4 985 B8R0.8 CC(=O)C(C)SCCO 62a_100000211926_100009814033 [0,2,0,0,0,0|1,0,1]=4 986 B8R0.8 CC(=O)C(C)SCCO 62a_100009814033_100000211926 [0,2,0,0,0,0|1,0,1]=4 987 B8R0.8 CC(=O)N(C)CCCO 240690a_100000213112_100015343762 [0,2,0,0,0,0|1,0,1]=4 988 B8R0.8 CC(=O)N(C)CCCO 527a_100000213112_100103153847 [0,2,0,0,0,0|1,0,1]=4 989 B8R0.8 CC(NCCF)C(=O)N 34a_100000724931_100000702099 [0,2,0,0,0,0|1,0,1]=4 990 B8R0.8 CC(NCCO)C(=O)N 2230a_100016997473_100000702099 [0,2,0,0,0,0|1,0,1]=4 991 B8R0.8 CC(NCCO)C(=O)N 34a_100016990907_100000702099 [0,2,0,0,0,0|1,0,1]=4 992 B8R0.8 CC(OCCBr)C(=O)N 34a_100000211926_100000702099 [0,2,0,0,0,0|1,0,1]=4 993 B8R0.8 CC(OCCN)C(=O)N 34a_100000210304_100000702099 [0,2,0,0,0,0|1,0,1]=4 994 B8R0.8 CC(SCCF)C(=O)N 62a_100000702099_100011217306 [0,2,0,0,0,0|1,0,1]=4 995 B8R0.8 CC(SCCF)C(=O)N 62a_100011217306_100000702099 [0,2,0,0,0,0|1,0,1]=4 996 B8R0.8 CC(SCCO)C(=O)N 62a_100000211926_100000702099 [0,2,0,0,0,0|1,0,1]=4 997 B8R0.8 CC(SCCO)C(=O)N 62a_100000702099_100000211926 [0,2,0,0,0,0|1,0,1]=4 998 B8R0.8 CCC/C=C(\C)/C(=O)C 1458a_200020648666_200000210301 [0,2,0,0,0,0|0,0,0]=2 999 B8R0.8 CCC/C=C(\C)/C(=O)[13CH3] 1458a_200020648666_200025704644 [0,2,0,0,0,0|0,0,0]=2 1000 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [0,2,0,0,0,0|0,0,2]=4 1001 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [0,2,0,0,0,0|0,0,2]=4 1002 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [0,2,0,0,0,0|0,0,2]=4 1003 B8R0.8 CCCCN(C)C(=O)C 11a_100000207549_100015343762 [0,2,0,0,0,0|1,0,1]=4 1004 B8R0.8 CCCCN(C)C(=O)C 1626a_100000207549_100015343762 [0,2,0,0,0,0|1,0,1]=4 1005 B8R0.8 CCCCN(C)C(=O)C 240690a_100000207549_100015343762 [0,2,0,0,0,0|1,0,1]=4 1006 B8R0.8 CCCCN(C)C(=O)C 527a_100000207549_100103153847 [0,2,0,0,0,0|1,0,1]=4 1007 B8R0.8 CCCNC(=O)C(=O)C 1458a_200011297150_200000210301 [0,2,0,0,0,0|1,0,1]=4 1008 B8R0.8 CCCNC(=O)C(=O)N 240690a_100020643023_100011215815 [0,2,0,0,0,0|1,0,1]=4 1009 B8R0.8 CCCNC(=O)C(=O)[13CH3] 1458a_200011297150_200025704644 [0,2,0,0,0,0|1,0,1]=4 1010 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [0,2,0,0,0,0|0,0,2]=4 1011 B8R0.8 CCCN[C@H](C)C(=O)N 2230a_100000119354_100000210303 [0,2,0,0,0,0|0,0,2]=4 1012 B8R0.8 CCCN[C@H](C)C(=O)N 34a_100000119354_100000210303 [0,2,0,0,0,0|0,0,2]=4 1013 B8R0.8 CCCOC(C)C(=O)C 34a_100000212229_100000210303 [0,2,0,0,0,0|0,0,2]=4 1014 B8R0.8 CCCOC(C)C(=O)N 34a_100000210258_100000702099 [0,2,0,0,0,0|0,0,2]=4 1015 B8R0.8 CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210303 [0,2,0,0,0,0|0,0,2]=4 1016 B8R0.8 CCCO[C@H](C)C(=O)N 34a_100000731257_100000210303 [0,2,0,0,0,0|0,0,2]=4 1017 B8R0.8 CCCO[C@H](C)C(=O)N 7a_100000731257_100000210303 [0,2,0,0,0,0|0,0,2]=4 1018 B8R0.8 CCCSC(C)C(=O)C 62a_100000210303_100009814033 [0,2,0,0,0,0|0,0,2]=4 1019 B8R0.8 CCCSC(C)C(=O)C 62a_100009814033_100000210303 [0,2,0,0,0,0|0,0,2]=4 1020 B8R0.8 CCCSC(C)C(=O)N 62a_100000210303_100000702099 [0,2,0,0,0,0|0,0,2]=4 1021 B8R0.8 CCCSC(C)C(=O)N 62a_100000702099_100000210303 [0,2,0,0,0,0|0,0,2]=4 1022 B8R0.8 CCNCC(C)C(=O)O 269956a_100000749485_100000210202 [0,2,0,0,0,0|0,0,2]=4 1023 B8R0.8 CCNNC(=O)C(=O)N 22a_100000756455_100011215815 [0,2,0,0,0,0|2,0,0]=4 1024 B8R0.8 CCOCC(=O)C(=O)C 34a_100121572206_100011261029 [0,2,0,0,0,0|1,0,1]=4 1025 B8R0.8 CCOCC(C)C(=O)C 34a_100000032740_100000210202 [0,2,0,0,0,0|0,0,2]=4 1026 B8R0.8 CCOCC(C)C(=O)C 7a_100000032740_100000210202 [0,2,0,0,0,0|0,0,2]=4 1027 B8R0.8 CCSCC(=O)C(=O)C 62a_100000210202_100011261029 [0,2,0,0,0,0|1,0,1]=4 1028 B8R0.8 CCSCC(=O)C(=O)C 62a_100011261029_100000210202 [0,2,0,0,0,0|1,0,1]=4 1029 B8R0.8 COCCN(C)C(=O)C 11a_100000743101_100015343762 [0,2,0,0,0,0|1,0,1]=4 1030 B8R0.8 COCCN(C)C(=O)C 1626a_100000743101_100015343762 [0,2,0,0,0,0|1,0,1]=4 1031 B8R0.8 COCCN(C)C(=O)C 240690a_100000743101_100015343762 [0,2,0,0,0,0|1,0,1]=4 1032 B8R0.8 COCCN(C)C(=O)C 527a_100000743101_100103153847 [0,2,0,0,0,0|1,0,1]=4 1033 B8R0.8 COCN[C@@H](C)C(=O)O 269956a_100000743915_100000766300 [0,2,0,0,0,0|1,0,1]=4 1034 B8R0.8 COCN[C@H](C)C(=O)N 2230a_100000119354_100000766300 [0,2,0,0,0,0|1,0,1]=4 1035 B8R0.8 COCSC(C)C(=O)C 62a_100000766300_100009814033 [0,2,0,0,0,0|1,0,1]=4 1036 B8R0.8 COCSC(C)C(=O)C 62a_100009814033_100000766300 [0,2,0,0,0,0|1,0,1]=4 1037 B8R0.8 COCSC(C)C(=O)N 62a_100000702099_100000766300 [0,2,0,0,0,0|1,0,1]=4 1038 B8R0.8 COCSC(C)C(=O)N 62a_100000766300_100000702099 [0,2,0,0,0,0|1,0,1]=4 1039 B8R0.8 CSCCN(C)C(=O)C 11a_100000686725_100015343762 [0,2,0,0,0,0|1,0,1]=4 1040 B8R0.8 CSCCN(C)C(=O)C 1626a_100000686725_100015343762 [0,2,0,0,0,0|1,0,1]=4 1041 B8R0.8 CSCCN(C)C(=O)C 240690a_100000686725_100015343762 [0,2,0,0,0,0|1,0,1]=4 1042 B8R0.8 CSCCN(C)C(=O)C 527a_100000686725_100103153847 [0,2,0,0,0,0|1,0,1]=4 1043 B8R0.8 CSCN[C@@H](C)C(=O)O 269956a_100000743915_100011218213 [0,2,0,0,0,0|1,0,1]=4 1044 B8R0.8 CSCN[C@H](C)C(=O)N 2230a_100000119354_100011218213 [0,2,0,0,0,0|1,0,1]=4 1045 B8R0.8 CSCN[C@H](C)C(=O)N 34a_100000119354_100011218213 [0,2,0,0,0,0|1,0,1]=4 1046 B8R0.8 CSCOC(C)C(=O)C 34a_100000212229_100011218213 [0,2,0,0,0,0|1,0,1]=4 1047 B8R0.8 CSCO[C@H](C)C(=O)N 34a_100000731257_100011218213 [0,2,0,0,0,0|1,0,1]=4 1048 B8R0.8 CSCSC(C)C(=O)C 62a_100009814033_100011218213 [0,2,0,0,0,0|1,0,1]=4 1049 B8R0.8 CSCSC(C)C(=O)C 62a_100011218213_100009814033 [0,2,0,0,0,0|1,0,1]=4 1050 B8R0.8 CSCSC(C)C(=O)N 62a_100000702099_100011218213 [0,2,0,0,0,0|1,0,1]=4 1051 B8R0.8 CSCSC(C)C(=O)N 62a_100011218213_100000702099 [0,2,0,0,0,0|1,0,1]=4 1052 B8R0.8 C[C@@H](NCCF)C(=O)N 2230a_100000119354_100011217306 [0,2,0,0,0,0|1,0,1]=4 1053 B8R0.8 C[C@@H](NCCF)C(=O)N 34a_100000119354_100011217306 [0,2,0,0,0,0|1,0,1]=4 1054 B8R0.8 C[C@@H](NCCO)C(=O)N 2230a_100000119354_100000211926 [0,2,0,0,0,0|1,0,1]=4 1055 B8R0.8 C[C@@H](NCCO)C(=O)N 34a_100000119354_100000211926 [0,2,0,0,0,0|1,0,1]=4 1056 B8R0.8 C[C@@H](OCCF)C(=O)N 34a_100000731257_100011217306 [0,2,0,0,0,0|1,0,1]=4 1057 B8R0.8 C[C@@H](OCCF)C(=O)N 7a_100000731257_100011217306 [0,2,0,0,0,0|1,0,1]=4 1058 B8R0.8 C[C@@H](OCCO)C(=O)N 34a_100000731257_100000211926 [0,2,0,0,0,0|1,0,1]=4 1059 B8R0.8 C[C@@H](OCCO)C(=O)N 7a_100000731257_100000211926 [0,2,0,0,0,0|1,0,1]=4 1060 B8R0.8 C[C@H](NCCF)C(=O)O 269956a_100000743915_100011217306 [0,2,0,0,0,0|1,0,1]=4 1061 B8R0.8 C[C@H](NCCO)C(=O)O 269956a_100000743915_100000211926 [0,2,0,0,0,0|1,0,1]=4 1062 B8R0.8 C[C@H](OCCF)C(=O)[O-] 7a_217856618621_100011217306 [0,2,0,0,0,0|1,0,1]=4 1063 B8R0.8 C[C@H](OCCO)C(=O)[O-] 7a_217856618621_100000211926 [0,2,0,0,0,0|1,0,1]=4 1064 B8R0.8 NC(=O)C(=O)NCCF 240690a_100000724931_100011215815 [0,2,0,0,0,0|2,0,0]=4 1065 B8R0.8 NC(=O)C(=O)NCCO 240690a_100000210304_100011215815 [0,2,0,0,0,0|2,0,0]=4 1066 B8R0.9 C=CC(=NNC(C)C)C 4a_100000741168_200015361842 [0,2,0,0,0,0|2,0,0]=4 1067 B8R0.9 CC=C(C)C=CC(=O)C 1458a_100000692105_200000210301 [0,2,0,0,0,0|1,0,1]=4 1068 B8R0.9 CC=C(C)C=CC(=O)[13CH3] 1458a_100000692105_200025704644 [0,2,0,0,0,0|1,0,1]=4 1069 B8R0.11 C=CC(=NNCC)CC 4a_100000756455_100000747743 [0,2,0,0,0,0|2,0,0]=4 1070 B8R0.12 CCCC(C)(C)C(=O)C 1458a_100011215034_200000210301 [0,2,0,0,0,0|0,0,2]=4 1071 B8R0.12 CCCC(C)(C)C(=O)[13CH3] 1458a_100011215034_200025704644 [0,2,0,0,0,0|0,0,2]=4 1072 B8R0.12 CCNC(C)(C)C(=O)N 2230a_100000743658_100000210202 [0,2,0,0,0,0|1,0,1]=4 1073 B8R0.12 CCNC(C)(C)C(=O)N 2230a_100015525214_100000702505 [0,2,0,0,0,0|1,0,1]=4 1074 B8R0.12 CCNC(C)(C)C(=O)N 34a_100000743658_100000210202 [0,2,0,0,0,0|1,0,1]=4 1075 B8R0.12 CCOC(C)(C)C(=O)C 1458a_100011458965_200000210301 [0,2,0,0,0,0|1,0,1]=4 1076 B8R0.12 CCOC(C)(C)C(=O)C 34a_100000747739_100000210202 [0,2,0,0,0,0|1,0,1]=4 1077 B8R0.12 CCOC(C)(C)C(=O)C 7a_100000747739_100000210202 [0,2,0,0,0,0|1,0,1]=4 1078 B8R0.12 CCOC(C)(C)C(=O)N 34a_100011626353_100000210202 [0,2,0,0,0,0|1,0,1]=4 1079 B8R0.12 CCOC(C)(C)C(=O)N 34a_100121572206_100000702505 [0,2,0,0,0,0|1,0,1]=4 1080 B8R0.12 CCOC(C)(C)C(=O)N 7a_100011626353_100000210202 [0,2,0,0,0,0|1,0,1]=4 1081 B8R0.12 CCOC(C)(C)C(=O)[13CH3] 1458a_100011458965_200025704644 [0,2,0,0,0,0|1,0,1]=4 1082 B8R0.12 CCSC(C)(C)C(=O)C 62a_100000075568_100000210202 [0,2,0,0,0,0|1,0,1]=4 1083 B8R0.12 CCSC(C)(C)C(=O)C 62a_100000210202_100000075568 [0,2,0,0,0,0|1,0,1]=4 1084 B8R0.12 CCSC(C)(C)C(=O)N 62a_100000210202_100000702505 [0,2,0,0,0,0|1,0,1]=4 1085 B8R0.12 CCSC(C)(C)C(=O)N 62a_100000702505_100000210202 [0,2,0,0,0,0|1,0,1]=4 1086 B8R0.15 CCCC(CC)C(=O)C 1458a_100000070787_100011219200 [0,2,0,0,0,0|0,0,2]=4 1087 B8R0.15 CCCC(CC)C(=O)C 1458a_100011416436_200000210301 [0,2,0,0,0,0|0,0,2]=4 1088 B8R0.15 CCCC(CC)C(=O)[13CH3] 1458a_100011416436_200025704644 [0,2,0,0,0,0|0,0,2]=4 1089 B8R0.15 CCCC(OC)C(=O)N 34a_100011626294_200000210301 [0,2,0,0,0,0|0,0,2]=4 1090 B8R0.15 CCCC(OC)C(=O)N 7a_100011626294_200000210301 [0,2,0,0,0,0|0,0,2]=4 1091 B8R0.15 CCCC(O[13CH3])C(=O)N 34a_100011626294_200025704644 [0,2,0,0,0,0|0,0,2]=4 1092 B8R0.15 CCCC(O[13CH3])C(=O)N 7a_100011626294_200025704644 [0,2,0,0,0,0|0,0,2]=4 1093 B8R0.15 CCCN(CC)C(=O)C 11a_100000226822_100015343762 [0,2,0,0,0,0|1,0,1]=4 1094 B8R0.15 CCCN(CC)C(=O)C 1626a_100000226822_100015343762 [0,2,0,0,0,0|1,0,1]=4 1095 B8R0.15 CCCN(CC)C(=O)C 240690a_100000226822_100015343762 [0,2,0,0,0,0|1,0,1]=4 1096 B8R0.15 CCCN(CC)C(=O)C 527a_100000226822_100103153847 [0,2,0,0,0,0|1,0,1]=4 1097 B8R0.15 CCC[C@H](NC)C(=O)N 2230a_100000729256_200000210301 [0,2,0,0,0,0|0,0,2]=4 1098 B8R0.15 CCC[C@H](NC)C(=O)N 34a_100000729256_200000210301 [0,2,0,0,0,0|0,0,2]=4 1099 B8R0.15 CCC[C@H](NC)C(=O)O 269956a_100000750406_200000210301 [0,2,0,0,0,0|0,0,2]=4 1100 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 2230a_100000729256_200025704644 [0,2,0,0,0,0|0,0,2]=4 1101 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 34a_100000729256_200025704644 [0,2,0,0,0,0|0,0,2]=4 1102 B8R0.15 CCC[C@H](N[13CH3])C(=O)O 269956a_100000750406_200025704644 [0,2,0,0,0,0|0,0,2]=4 1103 B8R0.15 CCNC(CC)C(=O)N 2230a_100000733705_100000210202 [0,2,0,0,0,0|1,0,1]=4 1104 B8R0.15 CCNC(CC)C(=O)N 2230a_100015525214_100000750255 [0,2,0,0,0,0|1,0,1]=4 1105 B8R0.15 CCNC(CC)C(=O)N 34a_100000733705_100000210202 [0,2,0,0,0,0|1,0,1]=4 1106 B8R0.15 CCNC(CO)C(=O)O 269956a_100000187304_100000210202 [0,2,0,0,0,0|1,0,1]=4 1107 B8R0.15 CCN[C@@H](CO)C(=O)N 2230a_100000729942_100000210202 [0,2,0,0,0,0|1,0,1]=4 1108 B8R0.15 CCN[C@@H](CO)C(=O)N 34a_100000729942_100000210202 [0,2,0,0,0,0|1,0,1]=4 1109 B8R0.15 CCN[C@H](CC)C(=O)O 269956a_100000747097_100000210202 [0,2,0,0,0,0|1,0,1]=4 1110 B8R0.15 CCOC(CC)C(=O)N 34a_100121572206_100000750255 [0,2,0,0,0,0|1,0,1]=4 1111 B8R0.15 CCSC(CC)C(=O)N 62a_100000210202_100000750255 [0,2,0,0,0,0|1,0,1]=4 1112 B8R0.15 CCSC(CC)C(=O)N 62a_100000750255_100000210202 [0,2,0,0,0,0|1,0,1]=4 1113 B8R0.22 CCCN(CC)CC=O 2230a_100000226822_200015260668 [0,2,0,0,0,0|1,0,1]=4 1114 B8R0.22 CCCN(CC)CC=O 269982a_100000226822_200015260668 [0,2,0,0,0,0|1,0,1]=4 1115 B8R0.13 C=CC(C)(C)C(=O)CC 1458a_100012027013_100000210202 [0,2,0,0,0,0|1,0,1]=4 1116 B8R0.20 CNC(C=O)C(=O)OC 34a_100102657272_100000046368 [0,2,0,0,0,0|1,0,1]=4 1117 B8R0.20 COC(=O)C(C=O)OC 34a_100138415774_100000046368 [0,2,0,0,0,0|1,0,1]=4 1118 B8R0.20 COC(=O)C(C=O)SC 62a_100000046368_200000210301 [0,2,0,0,0,0|1,0,1]=4 1119 B8R0.20 COC(=O)C(C=O)SC 62a_200000210301_100000046368 [0,2,0,0,0,0|1,0,1]=4 1120 B8R0.20 COC(=O)C(C=O)S[13CH3] 62a_100000046368_200025704644 [0,2,0,0,0,0|1,0,1]=4 1121 B8R0.20 COC(=O)C(C=O)S[13CH3] 62a_200025704644_100000046368 [0,2,0,0,0,0|1,0,1]=4 1122 B6R1.11 CC(=O)C1CC1 1458a_100000210395_200000210301 [1,0,0,1,0,0|0,0,1]=3 1123 B6R1.11 CC(=O)C1CO1 1458a_100000701028_200000210301 [1,0,0,1,0,0|1,0,1]=4 1124 B6R1.11 [13CH3]C(=O)C1CC1 1458a_100000210395_200025704644 [1,0,0,1,0,0|0,0,1]=3 1125 B6R1.11 [13CH3]C(=O)C1CO1 1458a_100000701028_200025704644 [1,0,0,1,0,0|1,0,1]=4 1126 B8R1.1 CCc1cc(cs1)O 271570a_203496583355_100009846239 [0,1,0,1,0,0|1,1,0]=4 1127 B8R1.1 CCc1ccc(s1)O 271570a_203496583355_100009844052 [0,1,0,1,0,0|2,0,0]=4 1128 B8R1.1 CCc1nc(no1)C 270196a_100000212224_100000210414 [0,1,0,1,0,0|1,0,1]=4 1129 B8R1.1 CCc1noc(n1)C 270196a_200000212204_100000070787 [0,1,0,1,0,0|2,0,0]=4 1130 B8R1.1 CCn1cc(cn1)O 271570a_203496583355_100011400201 [0,1,0,1,0,0|2,0,0]=4 1131 B8R1.1 CCn1cc(nn1)C 274090a_100000204670_200000242740 [0,1,0,1,0,0|2,0,0]=4 1132 B8R1.1 COc1cnn(c1)C 34a_100000707646_200000210301 [0,1,0,1,0,0|2,0,0]=4 1133 B8R1.1 CSc1cc(cs1)C 62a_100009876951_200000210301 [0,1,0,1,0,0|0,1,1]=4 1134 B8R1.1 CSc1cc(cs1)C 62a_200000210301_100009876951 [0,1,0,1,0,0|0,1,1]=4 1135 B8R1.1 CSc1ccc(s1)C 62a_100000031368_200000210301 [0,1,0,1,0,0|2,0,0]=4 1136 B8R1.1 CSc1ccc(s1)C 62a_200000210301_100000031368 [0,1,0,1,0,0|2,0,0]=4 1137 B8R1.1 CSc1cnn(c1)C 62a_100000745744_200000210301 [0,1,0,1,0,0|2,0,0]=4 1138 B8R1.1 CSc1cnn(c1)C 62a_200000210301_100000745744 [0,1,0,1,0,0|2,0,0]=4 1139 B8R1.1 CSc1csc(c1)C 62a_100000759034_200000210301 [0,1,0,1,0,0|0,1,1]=4 1140 B8R1.1 CSc1csc(c1)C 62a_200000210301_100000759034 [0,1,0,1,0,0|0,1,1]=4 1141 B8R1.1 CSc1nc(c[nH]1)C 62a_100161115468_200000210301 [0,1,0,1,0,0|2,0,0]=4 1142 B8R1.1 CSc1nc(c[nH]1)C 62a_200000210301_100161115468 [0,1,0,1,0,0|2,0,0]=4 1143 B8R1.1 CSc1nc(cs1)C 62a_100011291629_200000210301 [0,1,0,1,0,0|1,1,0]=4 1144 B8R1.1 CSc1nc(cs1)C 62a_200000210301_100011291629 [0,1,0,1,0,0|1,1,0]=4 1145 B8R1.1 CSc1ncc(s1)C 62a_100000690809_200000210301 [0,1,0,1,0,0|2,0,0]=4 1146 B8R1.1 CSc1ncc(s1)C 62a_200000210301_100000690809 [0,1,0,1,0,0|2,0,0]=4 1147 B8R1.1 Cc1c[nH]c(n1)S[13CH3] 62a_100161115468_200025704644 [0,1,0,1,0,0|2,0,0]=4 1148 B8R1.1 Cc1c[nH]c(n1)S[13CH3] 62a_200025704644_100161115468 [0,1,0,1,0,0|2,0,0]=4 1149 B8R1.1 Cc1cc(cs1)S[13CH3] 62a_100000759034_200025704644 [0,1,0,1,0,0|0,1,1]=4 1150 B8R1.1 Cc1cc(cs1)S[13CH3] 62a_200025704644_100000759034 [0,1,0,1,0,0|0,1,1]=4 1151 B8R1.1 Cc1ccc(s1)S[13CH3] 62a_100000031368_200025704644 [0,1,0,1,0,0|2,0,0]=4 1152 B8R1.1 Cc1ccc(s1)S[13CH3] 62a_200025704644_100000031368 [0,1,0,1,0,0|2,0,0]=4 1153 B8R1.1 Cc1cnc(s1)S[13CH3] 62a_100000690809_200025704644 [0,1,0,1,0,0|2,0,0]=4 1154 B8R1.1 Cc1cnc(s1)S[13CH3] 62a_200025704644_100000690809 [0,1,0,1,0,0|2,0,0]=4 1155 B8R1.1 Cc1csc(c1)S[13CH3] 62a_100009876951_200025704644 [0,1,0,1,0,0|0,1,1]=4 1156 B8R1.1 Cc1csc(c1)S[13CH3] 62a_200025704644_100009876951 [0,1,0,1,0,0|0,1,1]=4 1157 B8R1.1 Cc1csc(n1)S[13CH3] 62a_100011291629_200025704644 [0,1,0,1,0,0|1,1,0]=4 1158 B8R1.1 Cc1csc(n1)S[13CH3] 62a_200025704644_100011291629 [0,1,0,1,0,0|1,1,0]=4 1159 B8R1.1 Cn1cc(cn1)O[13CH3] 34a_100000707646_200025704644 [0,1,0,1,0,0|2,0,0]=4 1160 B8R1.1 Cn1cc(cn1)S[13CH3] 62a_100000745744_200025704644 [0,1,0,1,0,0|2,0,0]=4 1161 B8R1.1 Cn1cc(cn1)S[13CH3] 62a_200025704644_100000745744 [0,1,0,1,0,0|2,0,0]=4 1162 B8R1.4 CC1=CCCN(C1)C 2230a_100000725631_200000210301 [0,1,0,1,0,0|1,0,1]=4 1163 B8R1.4 CC1=CCCN(C1)C 269982a_100000725631_200000210301 [0,1,0,1,0,0|1,0,1]=4 1164 B8R1.4 CC1=CCCN(C1)C 34a_100000725631_200000210301 [0,1,0,1,0,0|1,0,1]=4 1165 B8R1.4 CC1=CCCN(C1)[13CH3] 2230a_100000725631_200025704644 [0,1,0,1,0,0|1,0,1]=4 1166 B8R1.4 CC1=CCCN(C1)[13CH3] 269982a_100000725631_200025704644 [0,1,0,1,0,0|1,0,1]=4 1167 B8R1.4 CC1=CCCN(C1)[13CH3] 34a_100000725631_200025704644 [0,1,0,1,0,0|1,0,1]=4 1168 B8R1.18 Cc1cc(c(s1)O)C 271570a_203496583355_100000689295 [0,1,0,1,0,0|0,0,2]=4 1169 B8R1.18 Cc1cn(c(n1)O)C 271570a_203496583355_100009816808 [0,1,0,1,0,0|1,0,1]=4 1170 B8R1.18 Cc1cn(nc1O)C 271570a_203496583355_100012644376 [0,1,0,1,0,0|1,0,1]=4 1171 B8R1.43 CCC1CC1C(=O)C 1458a_200011661523_200000210301 [0,1,0,1,0,0|0,0,2]=4 1172 B8R1.43 CCC1CC1C(=O)[13CH3] 1458a_200011661523_200025704644 [0,1,0,1,0,0|0,0,2]=4 1173 B8R1.3 CC1=CCN(CC1)C 2230a_100000693516_200000210301 [0,1,0,1,0,0|1,0,1]=4 1174 B8R1.3 CC1=CCN(CC1)C 269982a_100000693516_200000210301 [0,1,0,1,0,0|1,0,1]=4 1175 B8R1.3 CC1=CCN(CC1)C 34a_100000693516_200000210301 [0,1,0,1,0,0|1,0,1]=4 1176 B8R1.3 CC1=CCN(CC1)[13CH3] 2230a_100000693516_200025704644 [0,1,0,1,0,0|1,0,1]=4 1177 B8R1.3 CC1=CCN(CC1)[13CH3] 269982a_100000693516_200025704644 [0,1,0,1,0,0|1,0,1]=4 1178 B8R1.3 CC1=CCN(CC1)[13CH3] 34a_100000693516_200025704644 [0,1,0,1,0,0|1,0,1]=4 1179 B8R1.13 CCOC1CCC1=O 34a_100121572206_100009892977 [0,1,0,1,0,0|1,0,1]=4 1180 B8R1.13 CCSC1CCC1=O 62a_100000210202_100009892977 [0,1,0,1,0,0|1,0,1]=4 1181 B8R1.13 CCSC1CCC1=O 62a_100009892977_100000210202 [0,1,0,1,0,0|1,0,1]=4 1182 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [0,1,0,1,0,0|0,0,0]=2 1183 B8R1.7 CC(=O)C1=CCOC1 1458a_100000139269_200000210301 [0,1,0,1,0,0|1,0,0]=3 1184 B8R1.7 CC(=O)C1=COCC1 1458a_100000750620_200000210301 [0,1,0,1,0,0|1,0,0]=3 1185 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [0,1,0,1,0,0|0,0,2]=4 1186 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [0,1,0,1,0,0|0,0,2]=4 1187 B8R1.7 CC(=O)C1CCCS1 1458a_100012002731_200000210301 [0,1,0,1,0,0|1,0,1]=4 1188 B8R1.7 CC(=O)N1CCCC1 240690a_100000188435_100015343762 [0,1,0,1,0,0|1,0,1]=4 1189 B8R1.7 CC(=O)N1CCCC1 527a_100000188435_100103153847 [0,1,0,1,0,0|1,0,1]=4 1190 B8R1.7 CC(=O)[C@@H]1CCCO1 1458a_100000686382_200000210301 [0,1,0,1,0,0|1,0,1]=4 1191 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [0,1,0,1,0,0|0,0,0]=2 1192 B8R1.7 [13CH3]C(=O)C1=CCOC1 1458a_100000139269_200025704644 [0,1,0,1,0,0|1,0,0]=3 1193 B8R1.7 [13CH3]C(=O)C1=COCC1 1458a_100000750620_200025704644 [0,1,0,1,0,0|1,0,0]=3 1194 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [0,1,0,1,0,0|0,0,2]=4 1195 B8R1.7 [13CH3]C(=O)C1CCCS1 1458a_100012002731_200025704644 [0,1,0,1,0,0|1,0,1]=4 1196 B8R1.7 [13CH3]C(=O)[C@@H]1CCCO1 1458a_100000686382_200025704644 [0,1,0,1,0,0|1,0,1]=4 1197 B8R1.23 CC(=O)C1CC(C1)C 1458a_100000686124_200000210301 [0,1,0,1,0,0|0,0,2]=4 1198 B8R1.23 CC(=O)N1CC(C1)C 11a_100000702820_100015343762 [0,1,0,1,0,0|1,0,1]=4 1199 B8R1.23 CC(=O)N1CC(C1)C 240690a_100000702820_100015343762 [0,1,0,1,0,0|1,0,1]=4 1200 B8R1.23 CC(=O)N1CC(C1)C 527a_100000702820_100103153847 [0,1,0,1,0,0|1,0,1]=4 1201 B8R1.23 CC1CC(C1)C(=O)[13CH3] 1458a_100000686124_200025704644 [0,1,0,1,0,0|0,0,2]=4 1202 B8R1.37 CN(CC=O)C1CC1 2230a_100000226674_200015260668 [0,1,0,1,0,0|1,0,1]=4 1203 B8R1.37 CN(CC=O)C1CC1 269982a_100000226674_200015260668 [0,1,0,1,0,0|1,0,1]=4 1204 B8R1.54 CC(=O)N(C)C1CC1 11a_100000226674_100015343762 [0,1,0,1,0,0|1,0,1]=4 1205 B8R1.54 CC(=O)N(C)C1CC1 1626a_100000226674_100015343762 [0,1,0,1,0,0|1,0,1]=4 1206 B8R1.54 CC(=O)N(C)C1CC1 240690a_100000226674_100015343762 [0,1,0,1,0,0|1,0,1]=4 1207 B8R1.54 CC(=O)N(C)C1CC1 527a_100000226674_100103153847 [0,1,0,1,0,0|1,0,1]=4 1208 B8R1.78 CC(=O)C1(CCC1)C 1458a_100000684636_200000210301 [0,1,0,1,0,0|0,0,2]=4 1209 B8R1.78 CC1(CCC1)C(=O)[13CH3] 1458a_100000684636_200025704644 [0,1,0,1,0,0|0,0,2]=4 1210 B8R1.6 CC1CN(C1)CC=O 2230a_100000702820_200015260668 [0,1,0,1,0,0|1,0,1]=4 1211 B8R1.6 CC1CN(C1)CC=O 269982a_100000702820_200015260668 [0,1,0,1,0,0|1,0,1]=4 1212 B8R1.6 CC1CN(C1)CC=O 34a_100000702820_200009817547 [0,1,0,1,0,0|1,0,1]=4 1213 B8R1.6 CCSC1CC(=O)C1 62a_100009894365_100000210202 [0,1,0,1,0,0|1,0,1]=4 1214 B8R1.8 O=CCN1CCCC1 2230a_100000188435_200015260668 [0,1,0,1,0,0|1,0,1]=4 1215 B8R1.8 O=CCN1CCCC1 269982a_100000188435_200015260668 [0,1,0,1,0,0|1,0,1]=4 1216 B8R1.11 CCc1ccsc1O 271570a_203496583355_200009875468 [0,1,0,1,0,0|2,0,0]=4 1217 B8R1.11 CCc1cscc1O 271570a_203496583355_100011068457 [0,1,0,1,0,0|1,1,0]=4 1218 B8R1.11 CNC1CCCC1=O 2230a_106832991635_100000211823 [0,1,0,1,0,0|0,0,2]=4 1219 B8R1.11 CNC1CCCC1=O 34a_100102657272_100000709159 [0,1,0,1,0,0|0,0,2]=4 1220 B8R1.11 CNC1CCCC1=O 7a_106832991635_100000211823 [0,1,0,1,0,0|0,0,2]=4 1221 B8R1.11 COC1CCCC1=O 34a_100138415774_100000709159 [0,1,0,1,0,0|0,0,2]=4 1222 B8R1.11 COC1CCCC1=O 34a_200000719330_200000210301 [0,1,0,1,0,0|0,0,2]=4 1223 B8R1.11 CSC1CCCC1=O 62a_100000211823_200000210301 [0,1,0,1,0,0|0,0,2]=4 1224 B8R1.11 CSC1CCCC1=O 62a_200000210301_100000211823 [0,1,0,1,0,0|0,0,2]=4 1225 B8R1.11 CSc1ccsc1C 62a_100000684487_200000210301 [0,1,0,1,0,0|2,0,0]=4 1226 B8R1.11 CSc1ccsc1C 62a_200000210301_100000684487 [0,1,0,1,0,0|2,0,0]=4 1227 B8R1.11 CSc1cscc1C 62a_100000759966_200000210301 [0,1,0,1,0,0|1,1,0]=4 1228 B8R1.11 CSc1cscc1C 62a_200000210301_100000759966 [0,1,0,1,0,0|1,1,0]=4 1229 B8R1.11 CSc1n[nH]cc1C 62a_100009871783_200000210301 [0,1,0,1,0,0|2,0,0]=4 1230 B8R1.11 CSc1n[nH]cc1C 62a_200000210301_100009871783 [0,1,0,1,0,0|2,0,0]=4 1231 B8R1.11 CSc1nc[nH]c1C 62a_100010186451_200000210301 [0,1,0,1,0,0|2,0,0]=4 1232 B8R1.11 CSc1nc[nH]c1C 62a_200000210301_100010186451 [0,1,0,1,0,0|2,0,0]=4 1233 B8R1.11 CSc1ncsc1C 62a_100000732656_200000210301 [0,1,0,1,0,0|2,0,0]=4 1234 B8R1.11 CSc1ncsc1C 62a_200000210301_100000732656 [0,1,0,1,0,0|2,0,0]=4 1235 B8R1.11 CSc1sccc1C 62a_100010247149_200000210301 [0,1,0,1,0,0|1,1,0]=4 1236 B8R1.11 CSc1sccc1C 62a_200000210301_100010247149 [0,1,0,1,0,0|1,1,0]=4 1237 B8R1.11 CSc1scnc1C 62a_100009817116_200000210301 [0,1,0,1,0,0|1,1,0]=4 1238 B8R1.11 CSc1scnc1C 62a_200000210301_100009817116 [0,1,0,1,0,0|1,1,0]=4 1239 B8R1.11 Cc1[nH]cnc1S[13CH3] 62a_100010186451_200025704644 [0,1,0,1,0,0|2,0,0]=4 1240 B8R1.11 Cc1[nH]cnc1S[13CH3] 62a_200025704644_100010186451 [0,1,0,1,0,0|2,0,0]=4 1241 B8R1.11 Cc1c[nH]nc1S[13CH3] 62a_100009871783_200025704644 [0,1,0,1,0,0|2,0,0]=4 1242 B8R1.11 Cc1c[nH]nc1S[13CH3] 62a_200025704644_100009871783 [0,1,0,1,0,0|2,0,0]=4 1243 B8R1.11 Cc1ccsc1S[13CH3] 62a_100010247149_200025704644 [0,1,0,1,0,0|1,1,0]=4 1244 B8R1.11 Cc1ccsc1S[13CH3] 62a_200025704644_100010247149 [0,1,0,1,0,0|1,1,0]=4 1245 B8R1.11 Cc1cscc1S[13CH3] 62a_100000759966_200025704644 [0,1,0,1,0,0|1,1,0]=4 1246 B8R1.11 Cc1cscc1S[13CH3] 62a_200025704644_100000759966 [0,1,0,1,0,0|1,1,0]=4 1247 B8R1.11 Cc1ncsc1S[13CH3] 62a_100009817116_200025704644 [0,1,0,1,0,0|1,1,0]=4 1248 B8R1.11 Cc1ncsc1S[13CH3] 62a_200025704644_100009817116 [0,1,0,1,0,0|1,1,0]=4 1249 B8R1.11 Cc1sccc1S[13CH3] 62a_100000684487_200025704644 [0,1,0,1,0,0|2,0,0]=4 1250 B8R1.11 Cc1sccc1S[13CH3] 62a_200025704644_100000684487 [0,1,0,1,0,0|2,0,0]=4 1251 B8R1.11 Cc1scnc1S[13CH3] 62a_100000732656_200025704644 [0,1,0,1,0,0|2,0,0]=4 1252 B8R1.11 Cc1scnc1S[13CH3] 62a_200025704644_100000732656 [0,1,0,1,0,0|2,0,0]=4 1253 B8R1.11 [13CH3]OC1CCCC1=O 34a_200000719330_200025704644 [0,1,0,1,0,0|0,0,2]=4 1254 B8R1.11 [13CH3]SC1CCCC1=O 62a_100000211823_200025704644 [0,1,0,1,0,0|0,0,2]=4 1255 B8R1.11 [13CH3]SC1CCCC1=O 62a_200025704644_100000211823 [0,1,0,1,0,0|0,0,2]=4