0 B7R0.7 C#CCC(=O)C#CC 1458a_100000763181_100000184674 [0,0,0,0,0,0|1,0,3]=4 1 B7R0.7 C#CCC(=O)C=CC 1458a_100000210699_100000184674 [0,0,0,0,0,0|1,0,3]=4 2 B7R0.7 C#CCC(=O)CCC 1458a_100000211992_100000184674 [0,0,0,0,0,0|1,0,2]=3 3 B7R0.7 C#CCC(=O)CCC 1458a_100011220946_100000210303 [0,0,0,0,0,0|1,0,2]=3 4 B7R0.7 C#CCC(=O)CCF 1458a_100011220946_100011217306 [0,0,0,0,0,0|2,0,2]=4 5 B7R0.7 C#CCC(=O)CCO 1458a_100011216618_100000184674 [0,0,0,0,0,0|2,0,2]=4 6 B7R0.7 C#CCC(=O)CCO 1458a_100011220946_100000211926 [0,0,0,0,0,0|2,0,2]=4 7 B7R0.7 C#CCC(=O)COC 1458a_100000210968_100000184674 [0,0,0,0,0,0|2,0,2]=4 8 B7R0.7 C#CCC(=O)CSC 1458a_100000184570_100000184674 [0,0,0,0,0,0|2,0,2]=4 9 B7R0.7 C#CCC(=O)NCC 527a_100015525214_100011220946 [0,0,0,0,0,0|1,0,2]=3 10 B7R0.7 C#CCC(C)OCC 34a_100000685586_100000210202 [0,0,0,0,0,0|1,0,3]=4 11 B7R0.7 C#CCC(C)OCC 7a_100000685586_100000210202 [0,0,0,0,0,0|1,0,3]=4 12 B7R0.7 C/C=C/C(C)OCC 34a_200102604097_100000210202 [0,0,0,0,0,0|1,0,3]=4 13 B7R0.7 C=CCC(=O)C#CC 1458a_100000763181_100000210623 [0,0,0,0,0,0|1,0,3]=4 14 B7R0.7 C=CCC(=O)C=CC 1458a_100000210699_100000210623 [0,0,0,0,0,0|1,0,3]=4 15 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [0,0,0,0,0,0|1,0,2]=3 16 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [0,0,0,0,0,0|1,0,2]=3 17 B7R0.7 C=CCC(=O)CCF 1458a_100000210193_100011217306 [0,0,0,0,0,0|2,0,2]=4 18 B7R0.7 C=CCC(=O)CCO 1458a_100000210193_100000211926 [0,0,0,0,0,0|2,0,2]=4 19 B7R0.7 C=CCC(=O)CCO 1458a_100011216618_100000210623 [0,0,0,0,0,0|2,0,2]=4 20 B7R0.7 C=CCC(=O)COC 1458a_100000210968_100000210623 [0,0,0,0,0,0|2,0,2]=4 21 B7R0.7 C=CCC(=O)CSC 1458a_100000184570_100000210623 [0,0,0,0,0,0|2,0,2]=4 22 B7R0.7 C=CCC(=O)NCC 11a_100015525214_100000210193 [0,0,0,0,0,0|1,0,2]=3 23 B7R0.7 C=CCC(=O)NCC 240690a_100015525214_100000210193 [0,0,0,0,0,0|1,0,2]=3 24 B7R0.7 C=CCC(=O)NCC 527a_100015525214_100000210193 [0,0,0,0,0,0|1,0,2]=3 25 B7R0.7 C=CCC(=O)NNC 22a_100016993582_100000210193 [0,0,0,0,0,0|2,0,2]=4 26 B7R0.7 C=CC[C@@H](C)OCC 34a_100000731007_100000210202 [0,0,0,0,0,0|1,0,3]=4 27 B7R0.7 C=CC[C@@H](C)OCC 7a_100000731007_100000210202 [0,0,0,0,0,0|1,0,3]=4 28 B7R0.7 C=COC(=O)CNC 2230a_106832991635_100000036128 [0,0,0,0,0,0|1,0,2]=3 29 B7R0.7 C=COC(=O)CNC 34a_100102657272_100000036128 [0,0,0,0,0,0|1,0,2]=3 30 B7R0.7 C=COC(=O)COC 34a_100138415774_100000036128 [0,0,0,0,0,0|1,0,2]=3 31 B7R0.7 C=COC(=O)CSC 62a_100000036128_200000210301 [0,0,0,0,0,0|1,0,2]=3 32 B7R0.7 C=COC(=O)CSC 62a_200000210301_100000036128 [0,0,0,0,0,0|1,0,2]=3 33 B7R0.7 C=COC(=O)CS[13CH3] 62a_100000036128_200025704644 [0,0,0,0,0,0|1,0,2]=3 34 B7R0.7 C=COC(=O)CS[13CH3] 62a_200025704644_100000036128 [0,0,0,0,0,0|1,0,2]=3 35 B7R0.7 CC#CC(=O)CC#N 1458a_100000763181_100011214920 [0,0,0,0,0,0|2,0,2]=4 36 B7R0.7 CC#CC(=O)CCC 1458a_100000763181_100000210303 [0,0,0,0,0,0|1,0,1]=2 37 B7R0.7 CC#CC(=O)CCF 1458a_100000763181_100011217306 [0,0,0,0,0,0|2,0,1]=3 38 B7R0.7 CC#CC(=O)CCO 1458a_100000763181_100000211926 [0,0,0,0,0,0|2,0,1]=3 39 B7R0.7 CC#CC(=O)NNC 22a_100016993582_100000763181 [0,0,0,0,0,0|2,0,2]=4 40 B7R0.7 CC#CC(C)OCC 34a_100011216543_100000210202 [0,0,0,0,0,0|1,0,3]=4 41 B7R0.7 CC(CCBr)OCF 34a_100012276601_100015361967 [0,0,0,0,0,0|3,0,1]=4 42 B7R0.7 CC=CC(=O)CC#N 1458a_100000210699_100011214920 [0,0,0,0,0,0|2,0,2]=4 43 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [0,0,0,0,0,0|1,0,1]=2 44 B7R0.7 CC=CC(=O)CCF 1458a_100000210699_100011217306 [0,0,0,0,0,0|2,0,1]=3 45 B7R0.7 CC=CC(=O)CCO 1458a_100000210699_100000211926 [0,0,0,0,0,0|2,0,1]=3 46 B7R0.7 CC=CC(=O)NCC 11a_100015525214_100000210699 [0,0,0,0,0,0|1,0,2]=3 47 B7R0.7 CC=CC(=O)NCC 240690a_100015525214_100000210699 [0,0,0,0,0,0|1,0,2]=3 48 B7R0.7 CC=CC(=O)NNC 22a_100016993582_100000210699 [0,0,0,0,0,0|2,0,2]=4 49 B7R0.7 CCCC(=O)C=CBr 1458a_100016273825_100000210303 [0,0,0,0,0,0|2,0,1]=3 50 B7R0.7 CCCC(=O)C=CCl 1458a_200016279998_100000210303 [0,0,0,0,0,0|2,0,1]=3 51 B7R0.7 CCCC(=O)C=CI 1458a_100016256311_100000210303 [0,0,0,0,0,0|2,0,1]=3 52 B7R0.7 CCCC(=O)CC#N 1458a_100000211992_100011214920 [0,0,0,0,0,0|2,0,1]=3 53 B7R0.7 CCCC(=O)CC#N 1458a_100051588842_100000210303 [0,0,0,0,0,0|2,0,1]=3 54 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [0,0,0,0,0,0|1,0,0]=1 55 B7R0.7 CCCC(=O)CCF 1458a_100000211992_100011217306 [0,0,0,0,0,0|2,0,0]=2 56 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [0,0,0,0,0,0|2,0,0]=2 57 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [0,0,0,0,0,0|2,0,0]=2 58 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [0,0,0,0,0,0|2,0,0]=2 59 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [0,0,0,0,0,0|2,0,0]=2 60 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [0,0,0,0,0,0|2,0,0]=2 61 B7R0.7 CCCC(=O)CSC 1458a_100000184570_100000210303 [0,0,0,0,0,0|2,0,0]=2 62 B7R0.7 CCCC(=O)CSC 62a_100000747444_200000210301 [0,0,0,0,0,0|2,0,0]=2 63 B7R0.7 CCCC(=O)CSC 62a_200000210301_100000747444 [0,0,0,0,0,0|2,0,0]=2 64 B7R0.7 CCCC(=O)CS[13CH3] 62a_100000747444_200025704644 [0,0,0,0,0,0|2,0,0]=2 65 B7R0.7 CCCC(=O)CS[13CH3] 62a_200025704644_100000747444 [0,0,0,0,0,0|2,0,0]=2 66 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [0,0,0,0,0,0|1,0,0]=1 67 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [0,0,0,0,0,0|1,0,0]=1 68 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [0,0,0,0,0,0|1,0,0]=1 69 B7R0.7 CCCC(=O)NNC 22a_100016993582_100000211992 [0,0,0,0,0,0|2,0,0]=2 70 B7R0.7 CCCC(C)CNC 2230a_106832991635_100011216630 [0,0,0,0,0,0|3,0,1]=4 71 B7R0.7 CCCC(C)CNC 270004a_106832991635_100000243154 [0,0,0,0,0,0|3,0,1]=4 72 B7R0.7 CCCC(C)CNC 34a_100102657272_100011216630 [0,0,0,0,0,0|3,0,1]=4 73 B7R0.7 CCCC(C)CNC 7a_106832991635_100011216630 [0,0,0,0,0,0|3,0,1]=4 74 B7R0.7 CCCC(C)COC 34a_100000688023_200000210301 [0,0,0,0,0,0|3,0,1]=4 75 B7R0.7 CCCC(C)COC 34a_100138415774_100011216630 [0,0,0,0,0,0|3,0,1]=4 76 B7R0.7 CCCC(C)COC 7a_100000688023_200000210301 [0,0,0,0,0,0|3,0,1]=4 77 B7R0.7 CCCC(C)CO[13CH3] 34a_100000688023_200025704644 [0,0,0,0,0,0|3,0,1]=4 78 B7R0.7 CCCC(C)CO[13CH3] 7a_100000688023_200025704644 [0,0,0,0,0,0|3,0,1]=4 79 B7R0.7 CCCC(C)CSC 62a_100011216630_200000210301 [0,0,0,0,0,0|3,0,1]=4 80 B7R0.7 CCCC(C)CSC 62a_200000210301_100011216630 [0,0,0,0,0,0|3,0,1]=4 81 B7R0.7 CCCC(C)CS[13CH3] 62a_100011216630_200025704644 [0,0,0,0,0,0|3,0,1]=4 82 B7R0.7 CCCC(C)CS[13CH3] 62a_200025704644_100011216630 [0,0,0,0,0,0|3,0,1]=4 83 B7R0.7 CCCC(C)NCC 2230a_100000741246_100000210202 [0,0,0,0,0,0|2,0,1]=3 84 B7R0.7 CCCC(C)NCC 2230a_100015525214_100000766640 [0,0,0,0,0,0|2,0,1]=3 85 B7R0.7 CCCC(C)NCC 270004a_100015525214_100000211909 [0,0,0,0,0,0|2,0,1]=3 86 B7R0.7 CCCC(C)OCC 34a_100000764384_100000210202 [0,0,0,0,0,0|1,0,1]=2 87 B7R0.7 CCCC(C)OCC 34a_100121572206_100000766640 [0,0,0,0,0,0|1,0,1]=2 88 B7R0.7 CCCC(C)OCC 7a_100000764384_100000210202 [0,0,0,0,0,0|1,0,1]=2 89 B7R0.7 CCCC(C)OCF 34a_100000764384_100015361967 [0,0,0,0,0,0|2,0,1]=3 90 B7R0.7 CCCC(C)OCF 7a_100000764384_100015361967 [0,0,0,0,0,0|2,0,1]=3 91 B7R0.7 CCCC(C)SCC 62a_100000210202_100000766640 [0,0,0,0,0,0|1,1,1]=3 92 B7R0.7 CCCC(C)SCC 62a_100000766640_100000210202 [0,0,0,0,0,0|1,1,1]=3 93 B7R0.7 CCCC(C)SCF 62a_100000766640_100015361967 [0,0,0,0,0,0|2,1,1]=4 94 B7R0.7 CCCC(C)SCF 62a_100015361967_100000766640 [0,0,0,0,0,0|2,1,1]=4 95 B7R0.7 CCCN(C)CCC 2230a_100000210455_200000210301 [0,0,0,0,0,0|3,0,0]=3 96 B7R0.7 CCCN(C)CCC 2230a_100000747261_100000210303 [0,0,0,0,0,0|3,0,0]=3 97 B7R0.7 CCCN(C)CCC 269982a_100000210455_200000210301 [0,0,0,0,0,0|3,0,0]=3 98 B7R0.7 CCCN(C)CCC 269982a_100000747261_100000210303 [0,0,0,0,0,0|3,0,0]=3 99 B7R0.7 CCCN(C)CCF 2230a_100000747261_100011217306 [0,0,0,0,0,0|4,0,0]=4 100 B7R0.7 CCCN(C)CCF 269982a_100000747261_100011217306 [0,0,0,0,0,0|4,0,0]=4 101 B7R0.7 CCCN(C)CCO 2230a_100000210263_100000210303 [0,0,0,0,0,0|4,0,0]=4 102 B7R0.7 CCCN(C)CCO 2230a_100000211420_200000210301 [0,0,0,0,0,0|4,0,0]=4 103 B7R0.7 CCCN(C)CCO 2230a_100000747261_100000211926 [0,0,0,0,0,0|4,0,0]=4 104 B7R0.7 CCCN(C)CCO 269982a_100000210263_100000210303 [0,0,0,0,0,0|4,0,0]=4 105 B7R0.7 CCCN(C)CCO 269982a_100000211420_200000210301 [0,0,0,0,0,0|4,0,0]=4 106 B7R0.7 CCCN(C)CCO 269982a_100000747261_100000211926 [0,0,0,0,0,0|4,0,0]=4 107 B7R0.7 CCCN(C)COC 2230a_100000747261_100000766300 [0,0,0,0,0,0|4,0,0]=4 108 B7R0.7 CCCN(C)COC 269982a_100000747261_100000766300 [0,0,0,0,0,0|4,0,0]=4 109 B7R0.7 CCCN(C)CSC 2230a_100000747261_100011218213 [0,0,0,0,0,0|4,0,0]=4 110 B7R0.7 CCCN(C)CSC 269982a_100000747261_100011218213 [0,0,0,0,0,0|4,0,0]=4 111 B7R0.7 CCCN([13CH3])CCC 2230a_100000210455_200025704644 [0,0,0,0,0,0|3,0,0]=3 112 B7R0.7 CCCN([13CH3])CCC 269982a_100000210455_200025704644 [0,0,0,0,0,0|3,0,0]=3 113 B7R0.7 CCCN([13CH3])CCO 2230a_100000211420_200025704644 [0,0,0,0,0,0|4,0,0]=4 114 B7R0.7 CCCN([13CH3])CCO 269982a_100000211420_200025704644 [0,0,0,0,0,0|4,0,0]=4 115 B7R0.7 CCC[C@H](N)COC 34a_100000732646_200000210301 [0,0,0,0,0,0|3,0,1]=4 116 B7R0.7 CCC[C@H](N)CO[13CH3] 34a_100000732646_200025704644 [0,0,0,0,0,0|3,0,1]=4 117 B7R0.7 CCNC(=O)C=CBr 240690a_100015525214_100016273825 [0,0,0,0,0,0|2,0,2]=4 118 B7R0.7 CCNC(=O)C=CCl 11a_100015525214_200016279998 [0,0,0,0,0,0|2,0,2]=4 119 B7R0.7 CCNC(=O)C=CCl 240690a_100015525214_200016279998 [0,0,0,0,0,0|2,0,2]=4 120 B7R0.7 CCNC(=O)CC#N 240690a_100015525214_100051588842 [0,0,0,0,0,0|2,0,1]=3 121 B7R0.7 CCNC(=O)CCO 240690a_100015525214_100011216618 [0,0,0,0,0,0|2,0,0]=2 122 B7R0.7 CCNC(=O)CNC 2230a_100016988866_200000210301 [0,0,0,0,0,0|2,0,0]=2 123 B7R0.7 CCNC(=O)CNC 2230a_106832991635_100000183381 [0,0,0,0,0,0|2,0,0]=2 124 B7R0.7 CCNC(=O)CNC 34a_100102657272_100000183381 [0,0,0,0,0,0|2,0,0]=2 125 B7R0.7 CCNC(=O)CNC 7a_106832991635_100000183381 [0,0,0,0,0,0|2,0,0]=2 126 B7R0.7 CCNC(=O)CN[13CH3] 2230a_100016988866_200025704644 [0,0,0,0,0,0|2,0,0]=2 127 B7R0.7 CCNC(=O)COC 11a_100015525214_100000210968 [0,0,0,0,0,0|2,0,0]=2 128 B7R0.7 CCNC(=O)COC 240690a_100015525214_100000210968 [0,0,0,0,0,0|2,0,0]=2 129 B7R0.7 CCNC(=O)COC 34a_100138415774_100000183381 [0,0,0,0,0,0|2,0,0]=2 130 B7R0.7 CCNC(=O)COC 527a_100015525214_100000210968 [0,0,0,0,0,0|2,0,0]=2 131 B7R0.7 CCNC(=O)CSC 11a_100015525214_100000184570 [0,0,0,0,0,0|2,0,0]=2 132 B7R0.7 CCNC(=O)CSC 240690a_100015525214_100000184570 [0,0,0,0,0,0|2,0,0]=2 133 B7R0.7 CCNC(=O)CSC 527a_100015525214_100000184570 [0,0,0,0,0,0|2,0,0]=2 134 B7R0.7 CCNC(=O)CSC 62a_100000183381_200000210301 [0,0,0,0,0,0|2,0,0]=2 135 B7R0.7 CCNC(=O)CSC 62a_200000210301_100000183381 [0,0,0,0,0,0|2,0,0]=2 136 B7R0.7 CCNC(=O)CS[13CH3] 62a_100000183381_200025704644 [0,0,0,0,0,0|2,0,0]=2 137 B7R0.7 CCNC(=O)CS[13CH3] 62a_200025704644_100000183381 [0,0,0,0,0,0|2,0,0]=2 138 B7R0.7 CCNC(=O)NCC 2708a_100015525214_100015525214 [0,0,0,0,0,0|2,0,0]=2 139 B7R0.7 CCNC(=O)NCC 273464a_100015525214_100015525214 [0,0,0,0,0,0|2,0,0]=2 140 B7R0.7 CCNC(=O)NCC 512a_100015525214_100015525214 [0,0,0,0,0,0|2,0,0]=2 141 B7R0.7 CCNC(=O)NNC 273464a_100015525214_100016993582 [0,0,0,0,0,0|3,0,0]=3 142 B7R0.7 CCNC(=O)NNC 512a_100015525214_100016993582 [0,0,0,0,0,0|3,0,0]=3 143 B7R0.7 CCNC(=O)NNC 512a_100016993582_100015525214 [0,0,0,0,0,0|3,0,0]=3 144 B7R0.7 CCNC(C)CCO 2230a_100015525214_100009893172 [0,0,0,0,0,0|3,0,1]=4 145 B7R0.7 CCNC(C)COC 2230a_100015525214_100000765312 [0,0,0,0,0,0|3,0,1]=4 146 B7R0.7 CCNC(C)COC 270004a_100015525214_100000749346 [0,0,0,0,0,0|3,0,1]=4 147 B7R0.7 CCNC(C)CSC 270004a_100015525214_100011216314 [0,0,0,0,0,0|3,0,1]=4 148 B7R0.7 CCN[C@H](C)CCO 2230a_100000706166_100000210202 [0,0,0,0,0,0|3,0,1]=4 149 B7R0.7 CCN[C@H](C)CCO 34a_100000706166_100000210202 [0,0,0,0,0,0|3,0,1]=4 150 B7R0.7 CCN[C@H](C)COC 2230a_100000764878_100000210202 [0,0,0,0,0,0|3,0,1]=4 151 B7R0.7 CCOC(=O)CNC 2230a_106832991635_100000188475 [0,0,0,0,0,0|1,0,0]=1 152 B7R0.7 CCOC(=O)CNC 34a_100102657272_100000188475 [0,0,0,0,0,0|1,0,0]=1 153 B7R0.7 CCOC(=O)CNC 7a_106832991635_100000188475 [0,0,0,0,0,0|1,0,0]=1 154 B7R0.7 CCOC(=O)COC 34a_100138415774_100000188475 [0,0,0,0,0,0|1,0,0]=1 155 B7R0.7 CCOC(=O)CSC 62a_100000188475_200000210301 [0,0,0,0,0,0|1,0,0]=1 156 B7R0.7 CCOC(=O)CSC 62a_200000210301_100000188475 [0,0,0,0,0,0|1,0,0]=1 157 B7R0.7 CCOC(=O)CS[13CH3] 62a_100000188475_200025704644 [0,0,0,0,0,0|1,0,0]=1 158 B7R0.7 CCOC(=O)CS[13CH3] 62a_200025704644_100000188475 [0,0,0,0,0,0|1,0,0]=1 159 B7R0.7 CCOC(C)CCBr 34a_100012276601_100000210202 [0,0,0,0,0,0|2,0,1]=3 160 B7R0.7 CCOC(C)CCO 34a_100121572206_100009893172 [0,0,0,0,0,0|2,0,1]=3 161 B7R0.7 CCOC(C)COC 34a_100121572206_100000765312 [0,0,0,0,0,0|2,0,1]=3 162 B7R0.7 CCO[C@H](C)COC 34a_100011934205_100000210202 [0,0,0,0,0,0|2,0,1]=3 163 B7R0.7 CCSC(C)CCO 62a_100000210202_100009893172 [0,0,0,0,0,0|2,1,1]=4 164 B7R0.7 CCSC(C)CCO 62a_100009893172_100000210202 [0,0,0,0,0,0|2,1,1]=4 165 B7R0.7 CCSC(C)COC 62a_100000210202_100000765312 [0,0,0,0,0,0|2,1,1]=4 166 B7R0.7 CCSC(C)COC 62a_100000765312_100000210202 [0,0,0,0,0,0|2,1,1]=4 167 B7R0.7 CNCC(=O)NCO 2230a_106832991635_100000185155 [0,0,0,0,0,0|3,0,0]=3 168 B7R0.7 CNCC(=O)NCO 34a_100102657272_100000185155 [0,0,0,0,0,0|3,0,0]=3 169 B7R0.7 CNCC(=O)NCO 7a_106832991635_100000185155 [0,0,0,0,0,0|3,0,0]=3 170 B7R0.7 CNNC(=O)CC#N 22a_100016993582_100051588842 [0,0,0,0,0,0|3,0,1]=4 171 B7R0.7 CNNC(=O)CCO 22a_100016993582_100011216618 [0,0,0,0,0,0|3,0,0]=3 172 B7R0.7 CNNC(=O)COC 22a_100016993582_100000210968 [0,0,0,0,0,0|3,0,0]=3 173 B7R0.7 CNNC(=O)CSC 22a_100016993582_100000184570 [0,0,0,0,0,0|3,0,0]=3 174 B7R0.7 CNNC(=O)NNC 512a_100016993582_100016993582 [0,0,0,0,0,0|4,0,0]=4 175 B7R0.7 COCC(=O)CC#N 1458a_100000210968_100011214920 [0,0,0,0,0,0|3,0,1]=4 176 B7R0.7 COCC(=O)CCF 1458a_100000210968_100011217306 [0,0,0,0,0,0|3,0,0]=3 177 B7R0.7 COCC(=O)CCO 1458a_100000210968_100000211926 [0,0,0,0,0,0|3,0,0]=3 178 B7R0.7 COCC(=O)NCO 34a_100138415774_100000185155 [0,0,0,0,0,0|3,0,0]=3 179 B7R0.7 COC[C@@H](C)OCF 34a_100011934205_100015361967 [0,0,0,0,0,0|3,0,1]=4 180 B7R0.7 CSCC(=O)CC#N 1458a_100000184570_100011214920 [0,0,0,0,0,0|3,0,1]=4 181 B7R0.7 CSCC(=O)CCF 1458a_100000184570_100011217306 [0,0,0,0,0,0|3,0,0]=3 182 B7R0.7 CSCC(=O)CCO 1458a_100000184570_100000211926 [0,0,0,0,0,0|3,0,0]=3 183 B7R0.7 CSCC(=O)NCO 62a_100000185155_200000210301 [0,0,0,0,0,0|3,0,0]=3 184 B7R0.7 CSCC(=O)NCO 62a_200000210301_100000185155 [0,0,0,0,0,0|3,0,0]=3 185 B7R0.7 N#CCC(=O)CCF 1458a_100051588842_100011217306 [0,0,0,0,0,0|3,0,1]=4 186 B7R0.7 N#CCC(=O)CCO 1458a_100011216618_100011214920 [0,0,0,0,0,0|3,0,1]=4 187 B7R0.7 N#CCC(=O)CCO 1458a_100051588842_100000211926 [0,0,0,0,0,0|3,0,1]=4 188 B7R0.7 O=C(C=CBr)CCF 1458a_100016273825_100011217306 [0,0,0,0,0,0|3,0,1]=4 189 B7R0.7 O=C(C=CBr)CCO 1458a_100016273825_100000211926 [0,0,0,0,0,0|3,0,1]=4 190 B7R0.7 O=C(C=CCl)CCF 1458a_200016279998_100011217306 [0,0,0,0,0,0|3,0,1]=4 191 B7R0.7 O=C(C=CCl)CCO 1458a_200016279998_100000211926 [0,0,0,0,0,0|3,0,1]=4 192 B7R0.7 O=C(C=CI)CCF 1458a_100016256311_100011217306 [0,0,0,0,0,0|3,0,1]=4 193 B7R0.7 O=C(C=CI)CCO 1458a_100016256311_100000211926 [0,0,0,0,0,0|3,0,1]=4 194 B7R0.7 O=C(CCO)CCF 1458a_100011216618_100011217306 [0,0,0,0,0,0|3,0,0]=3 195 B7R0.7 O=C(CCO)CCO 1458a_100011216618_100000211926 [0,0,0,0,0,0|3,0,0]=3 196 B7R0.7 [13CH3]SCC(=O)NCO 62a_100000185155_200025704644 [0,0,0,0,0,0|3,0,0]=3 197 B7R0.7 [13CH3]SCC(=O)NCO 62a_200025704644_100000185155 [0,0,0,0,0,0|3,0,0]=3 198 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [1,0,0,0,0,0|0,0,2]=3 199 B6R0.1 C#CC(=O)CCF 1458a_100000211873_100011217306 [1,0,0,0,0,0|1,0,2]=4 200 B6R0.1 C#CC(=O)CCO 1458a_100000211873_100000211926 [1,0,0,0,0,0|1,0,2]=4 201 B6R0.1 C#CCC(=O)CC 1458a_100000210414_100000184674 [1,0,0,0,0,0|0,0,2]=3 202 B6R0.1 C#CCC(=O)CC 1458a_100011220946_100000210202 [1,0,0,0,0,0|0,0,2]=3 203 B6R0.1 C#CCC(=O)CF 1458a_100011220946_100015361967 [1,0,0,0,0,0|1,0,2]=4 204 B6R0.1 C#CCC(=O)CO 1458a_100000210174_100000184674 [1,0,0,0,0,0|1,0,2]=4 205 B6R0.1 C#CCC(=O)NC 1626a_100102657272_100011220946 [1,0,0,0,0,0|1,0,2]=4 206 B6R0.1 C#CCC(=O)NC 527a_100102657272_100011220946 [1,0,0,0,0,0|1,0,2]=4 207 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [1,0,0,0,0,0|0,0,2]=3 208 B6R0.1 C=CC(=O)CCF 1458a_100000185746_100011217306 [1,0,0,0,0,0|1,0,2]=4 209 B6R0.1 C=CC(=O)CCO 1458a_100000185746_100000211926 [1,0,0,0,0,0|1,0,2]=4 210 B6R0.1 C=CC(=O)NCC 240690a_100015525214_200121576911 [1,0,0,0,0,0|1,0,2]=4 211 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [1,0,0,0,0,0|0,0,2]=3 212 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [1,0,0,0,0,0|0,0,2]=3 213 B6R0.1 C=CCC(=O)CF 1458a_100000210193_100015361967 [1,0,0,0,0,0|1,0,2]=4 214 B6R0.1 C=CCC(=O)CO 1458a_100000210174_100000210623 [1,0,0,0,0,0|1,0,2]=4 215 B6R0.1 C=CCC(=O)NC 11a_106832991635_100000210193 [1,0,0,0,0,0|1,0,2]=4 216 B6R0.1 C=CCC(=O)NC 1626a_100102657272_100000210193 [1,0,0,0,0,0|1,0,2]=4 217 B6R0.1 C=CCC(=O)NC 240690a_100102657272_100000210193 [1,0,0,0,0,0|1,0,2]=4 218 B6R0.1 C=CCC(=O)NC 527a_100102657272_100000210193 [1,0,0,0,0,0|1,0,2]=4 219 B6R0.1 CC#CC(=O)CC 1458a_100000763181_100000210202 [1,0,0,0,0,0|0,0,2]=3 220 B6R0.1 CC#CC(=O)CF 1458a_100000763181_100015361967 [1,0,0,0,0,0|1,0,2]=4 221 B6R0.1 CC(CCBr)O[13CH3] 34a_100012276601_200025704644 [1,0,0,0,0,0|2,0,1]=4 222 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [1,0,0,0,0,0|0,0,2]=3 223 B6R0.1 CC=CC(=O)CF 1458a_100000210699_100015361967 [1,0,0,0,0,0|1,0,2]=4 224 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [1,0,0,0,0,0|1,0,2]=4 225 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [1,0,0,0,0,0|1,0,2]=4 226 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [1,0,0,0,0,0|1,0,2]=4 227 B6R0.1 CCC(=O)C=CBr 1458a_100016273825_100000210202 [1,0,0,0,0,0|1,0,2]=4 228 B6R0.1 CCC(=O)C=CCl 1458a_200016279998_100000210202 [1,0,0,0,0,0|1,0,2]=4 229 B6R0.1 CCC(=O)C=CI 1458a_100016256311_100000210202 [1,0,0,0,0,0|1,0,2]=4 230 B6R0.1 CCC(=O)CC#N 1458a_100000210414_100011214920 [1,0,0,0,0,0|1,0,1]=3 231 B6R0.1 CCC(=O)CC#N 1458a_100051588842_100000210202 [1,0,0,0,0,0|1,0,1]=3 232 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [1,0,0,0,0,0|1,0,0]=2 233 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [1,0,0,0,0,0|1,0,0]=2 234 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [1,0,0,0,0,0|1,0,0]=2 235 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [1,0,0,0,0,0|1,0,0]=2 236 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [1,0,0,0,0,0|1,0,0]=2 237 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [1,0,0,0,0,0|1,0,0]=2 238 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [1,0,0,0,0,0|1,0,0]=2 239 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [1,0,0,0,0,0|1,0,0]=2 240 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [1,0,0,0,0,0|1,0,0]=2 241 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [1,0,0,0,0,0|1,0,0]=2 242 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [1,0,0,0,0,0|1,0,0]=2 243 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [1,0,0,0,0,0|1,0,0]=2 244 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [1,0,0,0,0,0|2,0,0]=3 245 B6R0.1 CCC(C)CNC 2230a_100020588543_200000210301 [1,0,0,0,0,0|2,0,1]=4 246 B6R0.1 CCC(C)CNC 2230a_106832991635_100000748023 [1,0,0,0,0,0|2,0,1]=4 247 B6R0.1 CCC(C)CNC 270004a_106832991635_100000243153 [1,0,0,0,0,0|2,0,1]=4 248 B6R0.1 CCC(C)CNC 34a_100102657272_100000748023 [1,0,0,0,0,0|2,0,1]=4 249 B6R0.1 CCC(C)CNC 7a_106832991635_100000748023 [1,0,0,0,0,0|2,0,1]=4 250 B6R0.1 CCC(C)CN[13CH3] 2230a_100020588543_200025704644 [1,0,0,0,0,0|2,0,1]=4 251 B6R0.1 CCC(C)COC 34a_100138415774_100000748023 [1,0,0,0,0,0|2,0,1]=4 252 B6R0.1 CCC(C)CSC 62a_100000748023_200000210301 [1,0,0,0,0,0|2,0,1]=4 253 B6R0.1 CCC(C)CSC 62a_200000210301_100000748023 [1,0,0,0,0,0|2,0,1]=4 254 B6R0.1 CCC(C)CS[13CH3] 62a_100000748023_200025704644 [1,0,0,0,0,0|2,0,1]=4 255 B6R0.1 CCC(C)CS[13CH3] 62a_200025704644_100000748023 [1,0,0,0,0,0|2,0,1]=4 256 B6R0.1 CCC(C)OCF 7a_100000210228_100015361967 [1,0,0,0,0,0|2,0,1]=4 257 B6R0.1 CCC(O)CNC 2230a_100011218483_200000210301 [1,0,0,0,0,0|1,0,2]=4 258 B6R0.1 CCC(O)CNC 2230a_106832991635_100011218378 [1,0,0,0,0,0|1,0,2]=4 259 B6R0.1 CCC(O)CNC 34a_100102657272_100011218378 [1,0,0,0,0,0|1,0,2]=4 260 B6R0.1 CCC(O)CNC 7a_106832991635_100011218378 [1,0,0,0,0,0|1,0,2]=4 261 B6R0.1 CCC(O)CN[13CH3] 2230a_100011218483_200025704644 [1,0,0,0,0,0|1,0,2]=4 262 B6R0.1 CCC(O)COC 34a_100138415774_100011218378 [1,0,0,0,0,0|1,0,2]=4 263 B6R0.1 CCC(O)CSC 62a_100011218378_200000210301 [1,0,0,0,0,0|1,0,2]=4 264 B6R0.1 CCC(O)CSC 62a_200000210301_100011218378 [1,0,0,0,0,0|1,0,2]=4 265 B6R0.1 CCC(O)CS[13CH3] 62a_100011218378_200025704644 [1,0,0,0,0,0|1,0,2]=4 266 B6R0.1 CCC(O)CS[13CH3] 62a_200025704644_100011218378 [1,0,0,0,0,0|1,0,2]=4 267 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [1,0,0,0,0,0|0,0,0]=1 268 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [1,0,0,0,0,0|0,0,0]=1 269 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [1,0,0,0,0,0|1,0,0]=2 270 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [1,0,0,0,0,0|1,0,0]=2 271 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [1,0,0,0,0,0|1,0,0]=2 272 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [1,0,0,0,0,0|1,0,0]=2 273 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [1,0,0,0,0,0|1,0,0]=2 274 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [1,0,0,0,0,0|1,0,0]=2 275 B6R0.1 CCCC(C)NC 2230a_100000741246_200000210301 [1,0,0,0,0,0|2,0,1]=4 276 B6R0.1 CCCC(C)NC 2230a_106832991635_100000766640 [1,0,0,0,0,0|2,0,1]=4 277 B6R0.1 CCCC(C)NC 270004a_106832991635_100000211909 [1,0,0,0,0,0|2,0,1]=4 278 B6R0.1 CCCC(C)NC 34a_100102657272_100000766640 [1,0,0,0,0,0|2,0,1]=4 279 B6R0.1 CCCC(C)NC 7a_106832991635_100000766640 [1,0,0,0,0,0|2,0,1]=4 280 B6R0.1 CCCC(C)N[13CH3] 2230a_100000741246_200025704644 [1,0,0,0,0,0|2,0,1]=4 281 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [1,0,0,0,0,0|1,0,1]=3 282 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [1,0,0,0,0,0|1,0,1]=3 283 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [1,0,0,0,0,0|1,0,1]=3 284 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [1,0,0,0,0,0|1,0,1]=3 285 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [1,0,0,0,0,0|1,0,1]=3 286 B6R0.1 CCCC(C)SC 62a_100000766640_200000210301 [1,0,0,0,0,0|1,1,1]=4 287 B6R0.1 CCCC(C)SC 62a_200000210301_100000766640 [1,0,0,0,0,0|1,1,1]=4 288 B6R0.1 CCCC(C)S[13CH3] 62a_100000766640_200025704644 [1,0,0,0,0,0|1,1,1]=4 289 B6R0.1 CCCC(C)S[13CH3] 62a_200025704644_100000766640 [1,0,0,0,0,0|1,1,1]=4 290 B6R0.1 CCCN(C)CC 2230a_100000225621_100000210303 [1,0,0,0,0,0|2,0,0]=3 291 B6R0.1 CCCN(C)CC 2230a_100000226822_200000210301 [1,0,0,0,0,0|2,0,0]=3 292 B6R0.1 CCCN(C)CC 2230a_100000747261_100000210202 [1,0,0,0,0,0|2,0,0]=3 293 B6R0.1 CCCN(C)CC 269982a_100000225621_100000210303 [1,0,0,0,0,0|2,0,0]=3 294 B6R0.1 CCCN(C)CC 269982a_100000226822_200000210301 [1,0,0,0,0,0|2,0,0]=3 295 B6R0.1 CCCN(C)CC 269982a_100000747261_100000204670 [1,0,0,0,0,0|2,0,0]=3 296 B6R0.1 CCCN(C)CF 269982a_100000747261_100015361967 [1,0,0,0,0,0|3,0,0]=4 297 B6R0.1 CCCN([13CH3])CC 2230a_100000226822_200025704644 [1,0,0,0,0,0|2,0,0]=3 298 B6R0.1 CCCN([13CH3])CC 269982a_100000226822_200025704644 [1,0,0,0,0,0|2,0,0]=3 299 B6R0.1 CCN(C)CCF 2230a_100000225621_100011217306 [1,0,0,0,0,0|3,0,0]=4 300 B6R0.1 CCN(C)CCF 269982a_100000225621_100011217306 [1,0,0,0,0,0|3,0,0]=4 301 B6R0.1 CCN(C)CCO 2230a_100000210263_100000210202 [1,0,0,0,0,0|3,0,0]=4 302 B6R0.1 CCN(C)CCO 2230a_100000210973_200000210301 [1,0,0,0,0,0|3,0,0]=4 303 B6R0.1 CCN(C)CCO 2230a_100000225621_100000211926 [1,0,0,0,0,0|3,0,0]=4 304 B6R0.1 CCN(C)CCO 269982a_100000210263_100000204670 [1,0,0,0,0,0|3,0,0]=4 305 B6R0.1 CCN(C)CCO 269982a_100000210973_200000210301 [1,0,0,0,0,0|3,0,0]=4 306 B6R0.1 CCN(C)CCO 269982a_100000225621_100000211926 [1,0,0,0,0,0|3,0,0]=4 307 B6R0.1 CCN(C)COC 2230a_100000225621_100000766300 [1,0,0,0,0,0|3,0,0]=4 308 B6R0.1 CCN(C)COC 269982a_100000225621_100000766300 [1,0,0,0,0,0|3,0,0]=4 309 B6R0.1 CCN(C)CSC 2230a_100000225621_100011218213 [1,0,0,0,0,0|3,0,0]=4 310 B6R0.1 CCN(C)CSC 269982a_100000225621_100011218213 [1,0,0,0,0,0|3,0,0]=4 311 B6R0.1 CCN([13CH3])CCO 2230a_100000210973_200025704644 [1,0,0,0,0,0|3,0,0]=4 312 B6R0.1 CCN([13CH3])CCO 269982a_100000210973_200025704644 [1,0,0,0,0,0|3,0,0]=4 313 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [1,0,0,0,0,0|1,0,0]=2 314 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [1,0,0,0,0,0|1,0,0]=2 315 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [1,0,0,0,0,0|1,0,0]=2 316 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [1,0,0,0,0,0|2,0,0]=3 317 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [1,0,0,0,0,0|2,0,0]=3 318 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [1,0,0,0,0,0|2,0,0]=3 319 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [1,0,0,0,0,0|2,0,0]=3 320 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [1,0,0,0,0,0|2,0,0]=3 321 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [1,0,0,0,0,0|2,0,0]=3 322 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [1,0,0,0,0,0|2,0,0]=3 323 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [1,0,0,0,0,0|2,0,0]=3 324 B6R0.1 CCNC(C)CC 2230a_100000209981_100000210202 [1,0,0,0,0,0|2,0,1]=4 325 B6R0.1 CCNC(C)CC 2230a_100015525214_100000758301 [1,0,0,0,0,0|2,0,1]=4 326 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [1,0,0,0,0,0|1,0,1]=3 327 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [1,0,0,0,0,0|1,0,1]=3 328 B6R0.1 CCOC(C)CF 34a_100016041109_100000210202 [1,0,0,0,0,0|2,0,1]=4 329 B6R0.1 CCOC(C)CF 7a_100016041109_100000210202 [1,0,0,0,0,0|2,0,1]=4 330 B6R0.1 CCOC(C)CN 34a_100000210904_100000210202 [1,0,0,0,0,0|2,0,1]=4 331 B6R0.1 CCOC(C)CO 34a_100121572206_100012180447 [1,0,0,0,0,0|2,0,1]=4 332 B6R0.1 CCSC(C)CC 62a_100000210202_100000758301 [1,0,0,0,0,0|1,1,1]=4 333 B6R0.1 CCSC(C)CC 62a_100000758301_100000210202 [1,0,0,0,0,0|1,1,1]=4 334 B6R0.1 CCSC(C)OC 62a_100000210202_100009879195 [1,0,0,0,0,0|2,0,1]=4 335 B6R0.1 CCSC(C)OC 62a_100009879195_100000210202 [1,0,0,0,0,0|2,0,1]=4 336 B6R0.1 CC[C@H](C)CNC 2230a_106832991635_100009816398 [1,0,0,0,0,0|2,0,1]=4 337 B6R0.1 CC[C@H](C)CNC 34a_100102657272_100009816398 [1,0,0,0,0,0|2,0,1]=4 338 B6R0.1 CC[C@H](C)CNC 7a_106832991635_100009816398 [1,0,0,0,0,0|2,0,1]=4 339 B6R0.1 CC[C@H](C)COC 34a_100138415774_100009816398 [1,0,0,0,0,0|2,0,1]=4 340 B6R0.1 CC[C@H](C)COC 7a_100009816381_200000210301 [1,0,0,0,0,0|2,0,1]=4 341 B6R0.1 CC[C@H](C)CO[13CH3] 7a_100009816381_200025704644 [1,0,0,0,0,0|2,0,1]=4 342 B6R0.1 CC[C@H](C)CSC 62a_100009816398_200000210301 [1,0,0,0,0,0|2,0,1]=4 343 B6R0.1 CC[C@H](C)CSC 62a_200000210301_100009816398 [1,0,0,0,0,0|2,0,1]=4 344 B6R0.1 CC[C@H](C)CS[13CH3] 62a_100009816398_200025704644 [1,0,0,0,0,0|2,0,1]=4 345 B6R0.1 CC[C@H](C)CS[13CH3] 62a_200025704644_100009816398 [1,0,0,0,0,0|2,0,1]=4 346 B6R0.1 CNC(=O)CC#N 1626a_100102657272_100051588842 [1,0,0,0,0,0|2,0,1]=4 347 B6R0.1 CNC(=O)CC#N 240690a_100102657272_100051588842 [1,0,0,0,0,0|2,0,1]=4 348 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [1,0,0,0,0,0|2,0,0]=3 349 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [1,0,0,0,0,0|2,0,0]=3 350 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [1,0,0,0,0,0|2,0,0]=3 351 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [1,0,0,0,0,0|2,0,0]=3 352 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [1,0,0,0,0,0|2,0,0]=3 353 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [1,0,0,0,0,0|2,0,0]=3 354 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [1,0,0,0,0,0|2,0,0]=3 355 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [1,0,0,0,0,0|2,0,0]=3 356 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [1,0,0,0,0,0|2,0,0]=3 357 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [1,0,0,0,0,0|2,0,0]=3 358 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [1,0,0,0,0,0|2,0,0]=3 359 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [1,0,0,0,0,0|2,0,0]=3 360 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [1,0,0,0,0,0|2,0,0]=3 361 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [1,0,0,0,0,0|2,0,0]=3 362 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [1,0,0,0,0,0|2,0,0]=3 363 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [1,0,0,0,0,0|2,0,0]=3 364 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [1,0,0,0,0,0|2,0,0]=3 365 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [1,0,0,0,0,0|2,0,0]=3 366 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [1,0,0,0,0,0|2,0,0]=3 367 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [1,0,0,0,0,0|2,0,0]=3 368 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [1,0,0,0,0,0|2,0,0]=3 369 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [1,0,0,0,0,0|1,0,0]=2 370 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [1,0,0,0,0,0|1,0,0]=2 371 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [1,0,0,0,0,0|1,0,0]=2 372 B6R0.1 CNC[C@@H](C)OC 2230a_100020591295_200000210301 [1,0,0,0,0,0|2,0,1]=4 373 B6R0.1 CNNC(=O)CO 22a_100016993582_100000210174 [1,0,0,0,0,0|3,0,0]=4 374 B6R0.1 CNNC(=O)NC 273464a_100102657272_100016993582 [1,0,0,0,0,0|3,0,0]=4 375 B6R0.1 CNNC(=O)NC 512a_100016993582_100102657272 [1,0,0,0,0,0|3,0,0]=4 376 B6R0.1 CNNC(=O)NC 512a_106832991638_100016993582 [1,0,0,0,0,0|3,0,0]=4 377 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [1,0,0,0,0,0|1,0,0]=2 378 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [1,0,0,0,0,0|1,0,0]=2 379 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [1,0,0,0,0,0|1,0,0]=2 380 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [1,0,0,0,0,0|1,0,0]=2 381 B6R0.1 COC(C)CCBr 34a_100012276601_200000210301 [1,0,0,0,0,0|2,0,1]=4 382 B6R0.1 COC(C)CCO 34a_100138415774_100009893172 [1,0,0,0,0,0|2,0,1]=4 383 B6R0.1 COC(C)CO[13CH3] 34a_100000690652_200025704644 [1,0,0,0,0,0|2,0,1]=4 384 B6R0.1 COCC(=O)CF 1458a_100000210968_100015361967 [1,0,0,0,0,0|2,0,0]=3 385 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [1,0,0,0,0,0|1,0,0]=2 386 B6R0.1 COCC(C)OC 34a_100000690652_200000210301 [1,0,0,0,0,0|2,0,1]=4 387 B6R0.1 COCC(C)OC 34a_100138415774_100000765312 [1,0,0,0,0,0|2,0,1]=4 388 B6R0.1 COC[C@@H](C)OC 34a_100011934205_200000210301 [1,0,0,0,0,0|2,0,1]=4 389 B6R0.1 COC[C@@H](C)O[13CH3] 34a_100011934205_200025704644 [1,0,0,0,0,0|2,0,1]=4 390 B6R0.1 CO[C@H](C)CN[13CH3] 2230a_100020591295_200025704644 [1,0,0,0,0,0|2,0,1]=4 391 B6R0.1 CSCC(=O)CF 1458a_100000184570_100015361967 [1,0,0,0,0,0|2,0,0]=3 392 B6R0.1 N#CCC(=O)CF 1458a_100051588842_100015361967 [1,0,0,0,0,0|2,0,1]=4 393 B6R0.1 N#CCC(=O)CO 1458a_100000210174_100011214920 [1,0,0,0,0,0|2,0,1]=4 394 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [1,0,0,0,0,0|2,0,0]=3 395 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [1,0,0,0,0,0|2,0,0]=3 396 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [1,0,0,0,0,0|2,0,0]=3 397 B6R0.6 C#CCCOCC 34a_100011215631_100000210202 [1,0,0,0,0,0|0,0,3]=4 398 B6R0.6 C#CCCOCC 34a_100121572206_100000688953 [1,0,0,0,0,0|0,0,3]=4 399 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [1,0,0,0,0,0|0,0,3]=4 400 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [1,0,0,0,0,0|0,0,3]=4 401 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [1,0,0,0,0,0|0,0,3]=4 402 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [1,0,0,0,0,0|0,0,3]=4 403 B6R0.6 CC#CCOCC 34a_100000761923_100000210202 [1,0,0,0,0,0|0,0,3]=4 404 B6R0.6 CC#CCOCC 34a_100121572206_100000748600 [1,0,0,0,0,0|0,0,3]=4 405 B6R0.6 CC/C=C\CNC 2230a_106832991635_100103147603 [1,0,0,0,0,0|2,0,0]=3 406 B6R0.6 CC/C=C\CNC 34a_100102657272_100103147603 [1,0,0,0,0,0|2,0,0]=3 407 B6R0.6 CC/C=C\CNC 7a_106832991635_100103147603 [1,0,0,0,0,0|2,0,0]=3 408 B6R0.6 CC/C=C\COC 34a_100016268518_200000210301 [1,0,0,0,0,0|2,0,0]=3 409 B6R0.6 CC/C=C\COC 34a_100138415774_100103147603 [1,0,0,0,0,0|2,0,0]=3 410 B6R0.6 CC/C=C\CO[13CH3] 34a_100016268518_200025704644 [1,0,0,0,0,0|2,0,0]=3 411 B6R0.6 CC/C=C\CSC 62a_100103147603_200000210301 [1,0,0,0,0,0|2,0,0]=3 412 B6R0.6 CC/C=C\CSC 62a_200000210301_100103147603 [1,0,0,0,0,0|2,0,0]=3 413 B6R0.6 CC/C=C\CS[13CH3] 62a_100103147603_200025704644 [1,0,0,0,0,0|2,0,0]=3 414 B6R0.6 CC/C=C\CS[13CH3] 62a_200025704644_100103147603 [1,0,0,0,0,0|2,0,0]=3 415 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [1,0,0,0,0,0|0,0,3]=4 416 B6R0.6 CC=NNCCC 4a_100000740057_200000210099 [1,0,0,0,0,0|2,0,1]=4 417 B6R0.6 CCC#CCNC 2230a_106832991635_100009813939 [1,0,0,0,0,0|2,0,1]=4 418 B6R0.6 CCC#CCNC 34a_100102657272_100009813939 [1,0,0,0,0,0|2,0,1]=4 419 B6R0.6 CCC#CCNC 7a_106832991635_100009813939 [1,0,0,0,0,0|2,0,1]=4 420 B6R0.6 CCC#CCOC 34a_100000032950_200000210301 [1,0,0,0,0,0|2,0,1]=4 421 B6R0.6 CCC#CCOC 34a_100138415774_100009813939 [1,0,0,0,0,0|2,0,1]=4 422 B6R0.6 CCC#CCO[13CH3] 34a_100000032950_200025704644 [1,0,0,0,0,0|2,0,1]=4 423 B6R0.6 CCC#CCSC 62a_100009813939_200000210301 [1,0,0,0,0,0|2,0,1]=4 424 B6R0.6 CCC#CCSC 62a_200000210301_100009813939 [1,0,0,0,0,0|2,0,1]=4 425 B6R0.6 CCC#CCS[13CH3] 62a_100009813939_200025704644 [1,0,0,0,0,0|2,0,1]=4 426 B6R0.6 CCC#CCS[13CH3] 62a_200025704644_100009813939 [1,0,0,0,0,0|2,0,1]=4 427 B6R0.6 CCC=NNCC 4a_100000756455_100000210100 [1,0,0,0,0,0|2,0,1]=4 428 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [1,0,0,0,0,0|2,0,1]=4 429 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [1,0,0,0,0,0|2,0,1]=4 430 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [1,0,0,0,0,0|2,0,1]=4 431 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [1,0,0,0,0,0|2,0,1]=4 432 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [1,0,0,0,0,0|2,0,1]=4 433 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [1,0,0,0,0,0|2,0,1]=4 434 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [1,0,0,0,0,0|2,0,1]=4 435 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [1,0,0,0,0,0|2,0,1]=4 436 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [1,0,0,0,0,0|2,0,1]=4 437 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [1,0,0,0,0,0|2,0,1]=4 438 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [1,0,0,0,0,0|2,0,1]=4 439 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [1,0,0,0,0,0|2,0,1]=4 440 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [1,0,0,0,0,0|2,0,1]=4 441 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [1,0,0,0,0,0|2,0,1]=4 442 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [1,0,0,0,0,0|1,0,1]=3 443 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [1,0,0,0,0,0|1,0,1]=3 444 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [1,0,0,0,0,0|1,0,1]=3 445 B6R0.6 CCCCNCF 7a_106832991798_100015361967 [1,0,0,0,0,0|2,0,1]=4 446 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [1,0,0,0,0,0|0,0,1]=2 447 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [1,0,0,0,0,0|0,0,1]=2 448 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [1,0,0,0,0,0|0,0,1]=2 449 B6R0.6 CCCCOCF 34a_100000210227_100015361967 [1,0,0,0,0,0|1,0,1]=3 450 B6R0.6 CCCCOCF 7a_100000210227_100015361967 [1,0,0,0,0,0|1,0,1]=3 451 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [1,0,0,0,0,0|0,1,1]=3 452 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [1,0,0,0,0,0|0,1,1]=3 453 B6R0.6 CCCCSCF 62a_100000210211_100015361967 [1,0,0,0,0,0|1,1,1]=4 454 B6R0.6 CCCCSCF 62a_100015361967_100000210210 [1,0,0,0,0,0|1,1,1]=4 455 B6R0.6 CCCNCCF 34a_100000724931_100000210303 [1,0,0,0,0,0|3,0,0]=4 456 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [1,0,0,0,0,0|3,0,0]=4 457 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [1,0,0,0,0,0|3,0,0]=4 458 B6R0.6 CCCOCCBr 34a_100000211926_100000210303 [1,0,0,0,0,0|3,0,0]=4 459 B6R0.6 CCCOCCC 34a_100000210258_100000210303 [1,0,0,0,0,0|2,0,0]=3 460 B6R0.6 CCCOCCF 34a_100000210258_100011217306 [1,0,0,0,0,0|3,0,0]=4 461 B6R0.6 CCCOCCN 34a_100000210304_100000210303 [1,0,0,0,0,0|3,0,0]=4 462 B6R0.6 CCCOCCO 34a_100000210258_100000211926 [1,0,0,0,0,0|3,0,0]=4 463 B6R0.6 CCCOCSC 34a_100000210258_100011218213 [1,0,0,0,0,0|3,0,0]=4 464 B6R0.6 CCCSCCC 62a_100000210303_100000210303 [1,0,0,0,0,0|2,0,0]=3 465 B6R0.6 CCCSCCF 62a_100000210303_100011217306 [1,0,0,0,0,0|3,0,0]=4 466 B6R0.6 CCCSCCF 62a_100011217306_100000210303 [1,0,0,0,0,0|3,0,0]=4 467 B6R0.6 CCCSCCO 62a_100000210303_100000211926 [1,0,0,0,0,0|3,0,0]=4 468 B6R0.6 CCCSCCO 62a_100000211926_100000210303 [1,0,0,0,0,0|3,0,0]=4 469 B6R0.6 CCCSCOC 62a_100000210303_100000766300 [1,0,0,0,0,0|3,0,0]=4 470 B6R0.6 CCCSCOC 62a_100000766300_100000210303 [1,0,0,0,0,0|3,0,0]=4 471 B6R0.6 CCCSCSC 62a_100000210303_100011218213 [1,0,0,0,0,0|3,0,0]=4 472 B6R0.6 CCCSCSC 62a_100011218213_100000210303 [1,0,0,0,0,0|3,0,0]=4 473 B6R0.6 CCNCCCF 2230a_100015189416_100000210202 [1,0,0,0,0,0|2,0,1]=4 474 B6R0.6 CCNCCCF 2230a_100015525214_100011934791 [1,0,0,0,0,0|2,0,1]=4 475 B6R0.6 CCNCCCF 34a_100015189416_100000210202 [1,0,0,0,0,0|2,0,1]=4 476 B6R0.6 CCNCCCO 2230a_100015525214_100000230001 [1,0,0,0,0,0|2,0,1]=4 477 B6R0.6 CCNCCOC 2230a_100000209980_100000210202 [1,0,0,0,0,0|2,0,1]=4 478 B6R0.6 CCNCCOC 2230a_100015525214_100011201679 [1,0,0,0,0,0|2,0,1]=4 479 B6R0.6 CCNCCSC 2230a_100015525214_100000751147 [1,0,0,0,0,0|2,0,1]=4 480 B6R0.6 CCNCCSC 2230a_100020590264_100000210202 [1,0,0,0,0,0|2,0,1]=4 481 B6R0.6 CCOCCCBr 34a_100011217188_100000210202 [1,0,0,0,0,0|1,0,1]=3 482 B6R0.6 CCOCCCCl 34a_100000230001_100000210202 [1,0,0,0,0,0|1,0,1]=3 483 B6R0.6 CCOCCCF 34a_100000759539_100000210202 [1,0,0,0,0,0|1,0,1]=3 484 B6R0.6 CCOCCCF 34a_100121572206_100011934791 [1,0,0,0,0,0|1,0,1]=3 485 B6R0.6 CCOCCCN 34a_100000182051_100000210202 [1,0,0,0,0,0|1,0,1]=3 486 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [1,0,0,0,0,0|1,0,1]=3 487 B6R0.6 CCOCCNC 2230a_102516460346_200000210301 [1,0,0,0,0,0|1,0,1]=3 488 B6R0.6 CCOCCNC 2230a_106832991635_100011215890 [1,0,0,0,0,0|1,0,1]=3 489 B6R0.6 CCOCCNC 34a_100102657272_100000210147 [1,0,0,0,0,0|1,0,1]=3 490 B6R0.6 CCOCCNC 34a_102516460346_200000210301 [1,0,0,0,0,0|1,0,1]=3 491 B6R0.6 CCOCCNC 7a_106832991635_100011215890 [1,0,0,0,0,0|1,0,1]=3 492 B6R0.6 CCOCCN[13CH3] 2230a_102516460346_200025704644 [1,0,0,0,0,0|1,0,1]=3 493 B6R0.6 CCOCCN[13CH3] 34a_102516460346_200025704644 [1,0,0,0,0,0|1,0,1]=3 494 B6R0.6 CCOCCOC 34a_100000210136_200000210301 [1,0,0,0,0,0|1,0,1]=3 495 B6R0.6 CCOCCOC 34a_100000210237_100000210202 [1,0,0,0,0,0|1,0,1]=3 496 B6R0.6 CCOCCOC 34a_100121572206_100011201679 [1,0,0,0,0,0|1,0,1]=3 497 B6R0.6 CCOCCOC 34a_100138415774_100000210147 [1,0,0,0,0,0|1,0,1]=3 498 B6R0.6 CCOCCOC 7a_100000210136_200000210301 [1,0,0,0,0,0|1,0,1]=3 499 B6R0.6 CCOCCON 34a_100000700252_100000210202 [1,0,0,0,0,0|2,0,1]=4 500 B6R0.6 CCOCCO[13CH3] 34a_100000210136_200025704644 [1,0,0,0,0,0|1,0,1]=3 501 B6R0.6 CCOCCO[13CH3] 7a_100000210136_200025704644 [1,0,0,0,0,0|1,0,1]=3 502 B6R0.6 CCOCCSC 34a_100000230434_100000210202 [1,0,0,0,0,0|1,0,1]=3 503 B6R0.6 CCOCCSC 34a_100121572206_100000212216 [1,0,0,0,0,0|1,0,1]=3 504 B6R0.6 CCOCCSC 62a_100000210147_200000210301 [1,0,0,0,0,0|1,0,1]=3 505 B6R0.6 CCOCCSC 62a_200000210301_100011215890 [1,0,0,0,0,0|1,0,1]=3 506 B6R0.6 CCOCCSC 7a_100000230434_100000210202 [1,0,0,0,0,0|1,0,1]=3 507 B6R0.6 CCOCCS[13CH3] 62a_100000210147_200025704644 [1,0,0,0,0,0|1,0,1]=3 508 B6R0.6 CCOCCS[13CH3] 62a_200025704644_100011215890 [1,0,0,0,0,0|1,0,1]=3 509 B6R0.6 CCOCSCC 62a_100000210202_100000739092 [1,0,0,0,0,0|1,0,1]=3 510 B6R0.6 CCOCSCC 62a_100000739092_100000210202 [1,0,0,0,0,0|1,0,1]=3 511 B6R0.6 CCOCSCF 62a_100000739092_100015361967 [1,0,0,0,0,0|2,0,1]=4 512 B6R0.6 CCOCSCF 62a_100015361967_100000739092 [1,0,0,0,0,0|2,0,1]=4 513 B6R0.6 CCSCCCF 62a_100000210202_100011934791 [1,0,0,0,0,0|1,1,1]=4 514 B6R0.6 CCSCCCF 62a_100011934791_100000210202 [1,0,0,0,0,0|1,1,1]=4 515 B6R0.6 CCSCCCO 62a_100000210202_100011215043 [1,0,0,0,0,0|1,1,1]=4 516 B6R0.6 CCSCCCO 62a_100011215043_100000210202 [1,0,0,0,0,0|1,1,1]=4 517 B6R0.6 CCSCCNC 2230a_100000106463_200000210301 [1,0,0,0,0,0|1,1,1]=4 518 B6R0.6 CCSCCNC 2230a_106832991635_100000757381 [1,0,0,0,0,0|1,1,1]=4 519 B6R0.6 CCSCCNC 34a_100102657272_100000757381 [1,0,0,0,0,0|1,1,1]=4 520 B6R0.6 CCSCCNC 7a_106832991635_100000757381 [1,0,0,0,0,0|1,1,1]=4 521 B6R0.6 CCSCCN[13CH3] 2230a_100000106463_200025704644 [1,0,0,0,0,0|1,1,1]=4 522 B6R0.6 CCSCCOC 34a_100000212035_200000210301 [1,0,0,0,0,0|1,1,1]=4 523 B6R0.6 CCSCCOC 34a_100138415774_100000757381 [1,0,0,0,0,0|1,1,1]=4 524 B6R0.6 CCSCCOC 62a_100000210202_100000233755 [1,0,0,0,0,0|1,1,1]=4 525 B6R0.6 CCSCCOC 62a_100000233755_100000210202 [1,0,0,0,0,0|1,1,1]=4 526 B6R0.6 CCSCCOC 7a_100000212035_200000210301 [1,0,0,0,0,0|1,1,1]=4 527 B6R0.6 CCSCCO[13CH3] 34a_100000212035_200025704644 [1,0,0,0,0,0|1,1,1]=4 528 B6R0.6 CCSCCO[13CH3] 7a_100000212035_200025704644 [1,0,0,0,0,0|1,1,1]=4 529 B6R0.6 CCSCCSC 62a_100000210202_100000751147 [1,0,0,0,0,0|1,1,1]=4 530 B6R0.6 CCSCCSC 62a_100000212216_100000210202 [1,0,0,0,0,0|1,1,1]=4 531 B6R0.6 CCSCCSC 62a_100000757381_200000210301 [1,0,0,0,0,0|1,1,1]=4 532 B6R0.6 CCSCCSC 62a_200000210301_100000757381 [1,0,0,0,0,0|1,1,1]=4 533 B6R0.6 CCSCCS[13CH3] 62a_100000757381_200025704644 [1,0,0,0,0,0|1,1,1]=4 534 B6R0.6 CCSCCS[13CH3] 62a_200025704644_100000757381 [1,0,0,0,0,0|1,1,1]=4 535 B6R0.6 COCCOCF 34a_100000210237_100015361967 [1,0,0,0,0,0|2,0,1]=4 536 B6R0.6 CSCCOCF 34a_100000230434_100015361967 [1,0,0,0,0,0|2,0,1]=4 537 B6R0.6 CSCCOCF 7a_100000230434_100015361967 [1,0,0,0,0,0|2,0,1]=4 538 B6R0.6 FCCCOCF 34a_100000759539_100015361967 [1,0,0,0,0,0|2,0,1]=4 539 B6R0.6 FCOCCCBr 34a_100011217188_100015361967 [1,0,0,0,0,0|2,0,1]=4 540 B6R0.6 FCOCCCCl 34a_100000230001_100015361967 [1,0,0,0,0,0|2,0,1]=4 541 B6R0.6 NCCCOCF 34a_100000182051_100015361967 [1,0,0,0,0,0|2,0,1]=4 542 B8R0.1 C#CCC(=O)C#CCC 1458a_100011827653_100000184674 [0,1,0,0,0,0|1,0,2]=4 543 B8R0.1 C#CCC(=O)C=CCC 1458a_100000212282_100000184674 [0,1,0,0,0,0|1,0,2]=4 544 B8R0.1 C#CCC(=O)CCCC 1458a_100000210183_100000184674 [0,1,0,0,0,0|1,0,2]=4 545 B8R0.1 C#CCC(=O)CCCC 1458a_100011220946_100000210211 [0,1,0,0,0,0|1,0,2]=4 546 B8R0.1 C#CCC(=O)CCCF 1458a_100011220946_100011934791 [0,1,0,0,0,0|1,0,2]=4 547 B8R0.1 C#CCC(=O)CCCO 1458a_100011220946_100011215043 [0,1,0,0,0,0|1,0,2]=4 548 B8R0.1 C#CCC(=O)CCOC 1458a_100000749529_100000184674 [0,1,0,0,0,0|1,0,2]=4 549 B8R0.1 C#CCC(=O)CCOC 1458a_100011220946_100000233755 [0,1,0,0,0,0|1,0,2]=4 550 B8R0.1 C#CCC(=O)CCSC 1458a_100000174002_100000184674 [0,1,0,0,0,0|1,0,2]=4 551 B8R0.1 C#CCC(=O)CCSC 1458a_100011220946_100000751147 [0,1,0,0,0,0|1,0,2]=4 552 B8R0.1 C#CCC(=O)COCC 1458a_100000211967_100000184674 [0,1,0,0,0,0|0,0,2]=3 553 B8R0.1 C#CCC(=O)CSCC 1458a_100000230394_100000184674 [0,1,0,0,0,0|0,1,2]=4 554 B8R0.1 C#CCC(=O)NCCC 1626a_100020643023_100011220946 [0,1,0,0,0,0|1,0,2]=4 555 B8R0.1 C#CCC(=O)NCCC 527a_100020643023_100011220946 [0,1,0,0,0,0|1,0,2]=4 556 B8R0.1 C#CCC(=O)NCCF 1626a_100000724931_100011220946 [0,1,0,0,0,0|1,0,2]=4 557 B8R0.1 C#CCC(=O)NCCF 527a_100000724931_100011220946 [0,1,0,0,0,0|1,0,2]=4 558 B8R0.1 C#CCC(=O)NCCO 527a_100000210304_100011220946 [0,1,0,0,0,0|1,0,2]=4 559 B8R0.1 C#CCCC(=O)C#CC 1458a_100000763181_100000753159 [0,1,0,0,0,0|1,0,2]=4 560 B8R0.1 C#CCCC(=O)C=CC 1458a_100000210699_100000753159 [0,1,0,0,0,0|1,0,2]=4 561 B8R0.1 C#CCCC(=O)CCC 1458a_100000211992_100000753159 [0,1,0,0,0,0|1,0,1]=3 562 B8R0.1 C#CCCC(=O)CCC 1458a_100000692101_100000210303 [0,1,0,0,0,0|1,0,1]=3 563 B8R0.1 C#CCCC(=O)CCF 1458a_100000692101_100011217306 [0,1,0,0,0,0|2,0,1]=4 564 B8R0.1 C#CCCC(=O)CCO 1458a_100000692101_100000211926 [0,1,0,0,0,0|2,0,1]=4 565 B8R0.1 C#CCCC(=O)CCO 1458a_100011216618_100000753159 [0,1,0,0,0,0|2,0,1]=4 566 B8R0.1 C#CCCC(=O)COC 1458a_100000210968_100000753159 [0,1,0,0,0,0|2,0,1]=4 567 B8R0.1 C#CCCC(=O)CSC 1458a_100000184570_100000753159 [0,1,0,0,0,0|2,0,1]=4 568 B8R0.1 C#CCCC(=O)NCC 11a_100015525214_100000692101 [0,1,0,0,0,0|1,0,1]=3 569 B8R0.1 C#CCCC(=O)NCC 240690a_100015525214_100000692101 [0,1,0,0,0,0|1,0,1]=3 570 B8R0.1 C#CCCC(=O)NCC 527a_100015525214_100000692101 [0,1,0,0,0,0|1,0,1]=3 571 B8R0.1 C#CCCC(=O)NNC 22a_100016993582_100000692101 [0,1,0,0,0,0|2,0,1]=4 572 B8R0.1 C#CCNC(=O)CCC 11a_100000212058_100000211992 [0,1,0,0,0,0|1,0,1]=3 573 B8R0.1 C#CCNC(=O)CCC 1626a_100000212058_100000211992 [0,1,0,0,0,0|1,0,1]=3 574 B8R0.1 C#CCNC(=O)CCC 240690a_100000212058_100000211992 [0,1,0,0,0,0|1,0,1]=3 575 B8R0.1 C#CCNC(=O)CCC 527a_100000212058_100000211992 [0,1,0,0,0,0|1,0,1]=3 576 B8R0.1 C#CCNC(=O)CCO 240690a_100000212058_100011216618 [0,1,0,0,0,0|2,0,1]=4 577 B8R0.1 C#CCNC(=O)CNC 2230a_100000747989_200000210301 [0,1,0,0,0,0|2,0,1]=4 578 B8R0.1 C#CCNC(=O)CNC 34a_100000747989_200000210301 [0,1,0,0,0,0|2,0,1]=4 579 B8R0.1 C#CCNC(=O)CN[13CH3] 2230a_100000747989_200025704644 [0,1,0,0,0,0|2,0,1]=4 580 B8R0.1 C#CCNC(=O)CN[13CH3] 34a_100000747989_200025704644 [0,1,0,0,0,0|2,0,1]=4 581 B8R0.1 C#CCNC(=O)COC 11a_100000212058_100000210968 [0,1,0,0,0,0|2,0,1]=4 582 B8R0.1 C#CCNC(=O)COC 1626a_100000212058_100000210968 [0,1,0,0,0,0|2,0,1]=4 583 B8R0.1 C#CCNC(=O)COC 240690a_100000212058_100000210968 [0,1,0,0,0,0|2,0,1]=4 584 B8R0.1 C#CCNC(=O)COC 527a_100000212058_100000210968 [0,1,0,0,0,0|2,0,1]=4 585 B8R0.1 C#CCNC(=O)CSC 11a_100000212058_100000184570 [0,1,0,0,0,0|2,0,1]=4 586 B8R0.1 C#CCNC(=O)CSC 1626a_100000212058_100000184570 [0,1,0,0,0,0|2,0,1]=4 587 B8R0.1 C#CCNC(=O)CSC 240690a_100000212058_100000184570 [0,1,0,0,0,0|2,0,1]=4 588 B8R0.1 C#CCNC(=O)CSC 527a_100000212058_100000184570 [0,1,0,0,0,0|2,0,1]=4 589 B8R0.1 C#CCNC(=O)NCC 2708a_100000212058_100015525214 [0,1,0,0,0,0|1,0,2]=4 590 B8R0.1 C#CCNC(=O)NCC 2708a_100015525214_100000212058 [0,1,0,0,0,0|1,0,2]=4 591 B8R0.1 C#CCNC(=O)NCC 273464a_100000212058_100015525214 [0,1,0,0,0,0|1,0,2]=4 592 B8R0.1 C#CCNC(=O)NCC 273464a_100015525214_100000212058 [0,1,0,0,0,0|1,0,2]=4 593 B8R0.1 C#CCNC(=O)NCC 512a_100000212058_100015525214 [0,1,0,0,0,0|1,0,2]=4 594 B8R0.1 C#CCNC(=O)NCC 512a_100015525214_100000212058 [0,1,0,0,0,0|1,0,2]=4 595 B8R0.1 C#CCOC(C)CCC 34a_100000210247_100000766640 [0,1,0,0,0,0|1,0,2]=4 596 B8R0.1 C#CCOC(C)CCC 34a_100000764384_100000184674 [0,1,0,0,0,0|1,0,2]=4 597 B8R0.1 C#CCOC(C)CCC 7a_100000764384_100000038162 [0,1,0,0,0,0|1,0,2]=4 598 B8R0.1 C/C=C/CC(=O)CCC 1458a_100000211992_100102629194 [0,1,0,0,0,0|1,0,1]=3 599 B8R0.1 C/C=C/CC(=O)CCO 1458a_100011216618_100102629194 [0,1,0,0,0,0|2,0,1]=4 600 B8R0.1 C/C=C/CC(=O)COC 1458a_100000210968_100102629194 [0,1,0,0,0,0|2,0,1]=4 601 B8R0.1 C/C=C/CC(=O)CSC 1458a_100000184570_100102629194 [0,1,0,0,0,0|2,0,1]=4 602 B8R0.1 C=C(CNC)OCOC 34a_100102657272_100000042856 [0,1,0,0,0,0|2,0,0]=3 603 B8R0.1 C=C(COC)OCOC 34a_100138415774_100000042856 [0,1,0,0,0,0|2,0,0]=3 604 B8R0.1 C=C(CSC)OCOC 62a_100000042856_200000210301 [0,1,0,0,0,0|2,0,0]=3 605 B8R0.1 C=C(CSC)OCOC 62a_200000210301_100000042856 [0,1,0,0,0,0|2,0,0]=3 606 B8R0.1 C=C(CS[13CH3])OCOC 62a_100000042856_200025704644 [0,1,0,0,0,0|2,0,0]=3 607 B8R0.1 C=C(CS[13CH3])OCOC 62a_200025704644_100000042856 [0,1,0,0,0,0|2,0,0]=3 608 B8R0.1 C=CC=CC(=O)CCC 1458a_100016291481_100000210303 [0,1,0,0,0,0|1,0,2]=4 609 B8R0.1 C=CCC(=O)C#CCC 1458a_100011827653_100000210623 [0,1,0,0,0,0|1,0,2]=4 610 B8R0.1 C=CCC(=O)C=CCC 1458a_100000212282_100000210623 [0,1,0,0,0,0|1,0,2]=4 611 B8R0.1 C=CCC(=O)CCCC 1458a_100000210183_100000210623 [0,1,0,0,0,0|1,0,2]=4 612 B8R0.1 C=CCC(=O)CCCC 1458a_100000210193_100000210211 [0,1,0,0,0,0|1,0,2]=4 613 B8R0.1 C=CCC(=O)CCCF 1458a_100000210193_100011934791 [0,1,0,0,0,0|1,0,2]=4 614 B8R0.1 C=CCC(=O)CCCO 1458a_100000210193_100011215043 [0,1,0,0,0,0|1,0,2]=4 615 B8R0.1 C=CCC(=O)CCOC 1458a_100000210193_100000233755 [0,1,0,0,0,0|1,0,2]=4 616 B8R0.1 C=CCC(=O)CCOC 1458a_100000749529_100000210623 [0,1,0,0,0,0|1,0,2]=4 617 B8R0.1 C=CCC(=O)CCSC 1458a_100000174002_100000210623 [0,1,0,0,0,0|1,0,2]=4 618 B8R0.1 C=CCC(=O)CCSC 1458a_100000210193_100000751147 [0,1,0,0,0,0|1,0,2]=4 619 B8R0.1 C=CCC(=O)COCC 1458a_100000211967_100000210623 [0,1,0,0,0,0|0,0,2]=3 620 B8R0.1 C=CCC(=O)CSCC 1458a_100000230394_100000210623 [0,1,0,0,0,0|0,1,2]=4 621 B8R0.1 C=CCC(=O)NCCC 11a_100020643023_100000210193 [0,1,0,0,0,0|1,0,2]=4 622 B8R0.1 C=CCC(=O)NCCC 1626a_100020643023_100000210193 [0,1,0,0,0,0|1,0,2]=4 623 B8R0.1 C=CCC(=O)NCCC 240690a_100020643023_100000210193 [0,1,0,0,0,0|1,0,2]=4 624 B8R0.1 C=CCC(=O)NCCC 527a_100020643023_100000210193 [0,1,0,0,0,0|1,0,2]=4 625 B8R0.1 C=CCC(=O)NCCF 11a_100000724931_100000210193 [0,1,0,0,0,0|1,0,2]=4 626 B8R0.1 C=CCC(=O)NCCF 1626a_100000724931_100000210193 [0,1,0,0,0,0|1,0,2]=4 627 B8R0.1 C=CCC(=O)NCCF 240690a_100000724931_100000210193 [0,1,0,0,0,0|1,0,2]=4 628 B8R0.1 C=CCC(=O)NCCF 527a_100000724931_100000210193 [0,1,0,0,0,0|1,0,2]=4 629 B8R0.1 C=CCC(=O)NCCO 240690a_100000210304_100000210193 [0,1,0,0,0,0|1,0,2]=4 630 B8R0.1 C=CCC(=O)NCCO 527a_100000210304_100000210193 [0,1,0,0,0,0|1,0,2]=4 631 B8R0.1 C=CCC(=O)NNCC 22a_100000756455_100000210193 [0,1,0,0,0,0|1,0,2]=4 632 B8R0.1 C=CCCC(=O)C#CC 1458a_100000763181_100000754431 [0,1,0,0,0,0|1,0,2]=4 633 B8R0.1 C=CCCC(=O)C=CC 1458a_100000210699_100000754431 [0,1,0,0,0,0|1,0,2]=4 634 B8R0.1 C=CCCC(=O)CCC 1458a_100000211992_100000754431 [0,1,0,0,0,0|1,0,1]=3 635 B8R0.1 C=CCCC(=O)CCC 1458a_100000749702_100000210303 [0,1,0,0,0,0|1,0,1]=3 636 B8R0.1 C=CCCC(=O)CCF 1458a_100000749702_100011217306 [0,1,0,0,0,0|2,0,1]=4 637 B8R0.1 C=CCCC(=O)CCO 1458a_100000749702_100000211926 [0,1,0,0,0,0|2,0,1]=4 638 B8R0.1 C=CCCC(=O)CCO 1458a_100011216618_100000754431 [0,1,0,0,0,0|2,0,1]=4 639 B8R0.1 C=CCCC(=O)COC 1458a_100000210968_100000754431 [0,1,0,0,0,0|2,0,1]=4 640 B8R0.1 C=CCCC(=O)CSC 1458a_100000184570_100000754431 [0,1,0,0,0,0|2,0,1]=4 641 B8R0.1 C=CCCC(=O)NCC 11a_100015525214_100000749702 [0,1,0,0,0,0|1,0,1]=3 642 B8R0.1 C=CCCC(=O)NCC 240690a_100015525214_100000749702 [0,1,0,0,0,0|1,0,1]=3 643 B8R0.1 C=CCCC(=O)NCC 527a_100015525214_100000749702 [0,1,0,0,0,0|1,0,1]=3 644 B8R0.1 C=CCCC(=O)NNC 22a_100016993582_100000749702 [0,1,0,0,0,0|2,0,1]=4 645 B8R0.1 C=CCCC(C)OCC 34a_100000765329_100000210202 [0,1,0,0,0,0|1,0,2]=4 646 B8R0.1 C=CCCC(C)OCC 7a_100000765329_100000210202 [0,1,0,0,0,0|1,0,2]=4 647 B8R0.1 C=CCNC(=O)CCC 1626a_100020586998_100000211992 [0,1,0,0,0,0|1,0,1]=3 648 B8R0.1 C=CCNC(=O)CCC 240690a_100020586998_100000211992 [0,1,0,0,0,0|1,0,1]=3 649 B8R0.1 C=CCNC(=O)CCC 527a_100020586998_100000211992 [0,1,0,0,0,0|1,0,1]=3 650 B8R0.1 C=CCNC(=O)CCO 240690a_100020586998_100011216618 [0,1,0,0,0,0|2,0,1]=4 651 B8R0.1 C=CCNC(=O)CNC 2230a_106832991635_100000183597 [0,1,0,0,0,0|2,0,1]=4 652 B8R0.1 C=CCNC(=O)CNC 7a_106832991635_100000183597 [0,1,0,0,0,0|2,0,1]=4 653 B8R0.1 C=CCNC(=O)COC 1626a_100020586998_100000210968 [0,1,0,0,0,0|2,0,1]=4 654 B8R0.1 C=CCNC(=O)COC 240690a_100020586998_100000210968 [0,1,0,0,0,0|2,0,1]=4 655 B8R0.1 C=CCNC(=O)COC 527a_100020586998_100000210968 [0,1,0,0,0,0|2,0,1]=4 656 B8R0.1 C=CCNC(=O)CSC 1626a_100020586998_100000184570 [0,1,0,0,0,0|2,0,1]=4 657 B8R0.1 C=CCNC(=O)CSC 240690a_100020586998_100000184570 [0,1,0,0,0,0|2,0,1]=4 658 B8R0.1 C=CCNC(=O)CSC 527a_100020586998_100000184570 [0,1,0,0,0,0|2,0,1]=4 659 B8R0.1 C=CCNC(=O)CSC 62a_100000183597_200000210301 [0,1,0,0,0,0|2,0,1]=4 660 B8R0.1 C=CCNC(=O)CSC 62a_200000210301_100000183597 [0,1,0,0,0,0|2,0,1]=4 661 B8R0.1 C=CCNC(=O)CS[13CH3] 62a_100000183597_200025704644 [0,1,0,0,0,0|2,0,1]=4 662 B8R0.1 C=CCNC(=O)CS[13CH3] 62a_200025704644_100000183597 [0,1,0,0,0,0|2,0,1]=4 663 B8R0.1 C=CCNC(=O)NCC 2708a_100015525214_100020586998 [0,1,0,0,0,0|1,0,2]=4 664 B8R0.1 C=CCNC(=O)NCC 273464a_100015525214_100020586998 [0,1,0,0,0,0|1,0,2]=4 665 B8R0.1 C=CCNC(=O)NCC 273464a_100020586998_100015525214 [0,1,0,0,0,0|1,0,2]=4 666 B8R0.1 C=CCNC(=O)NCC 512a_100015525214_100020586998 [0,1,0,0,0,0|1,0,2]=4 667 B8R0.1 C=CCNC(=O)NCC 512a_100020586998_100015525214 [0,1,0,0,0,0|1,0,2]=4 668 B8R0.1 C=CCOC(=O)CNC 2230a_106832991635_100000033060 [0,1,0,0,0,0|1,0,1]=3 669 B8R0.1 C=CCOC(=O)CNC 34a_100102657272_100000033060 [0,1,0,0,0,0|1,0,1]=3 670 B8R0.1 C=CCOC(=O)CNC 7a_106832991635_100000033060 [0,1,0,0,0,0|1,0,1]=3 671 B8R0.1 C=CCOC(=O)COC 34a_100138415774_100000033060 [0,1,0,0,0,0|1,0,1]=3 672 B8R0.1 C=CCOC(=O)CSC 62a_100000033060_200000210301 [0,1,0,0,0,0|1,0,1]=3 673 B8R0.1 C=CCOC(=O)CSC 62a_200000210301_100000033060 [0,1,0,0,0,0|1,0,1]=3 674 B8R0.1 C=CCOC(=O)CS[13CH3] 62a_100000033060_200025704644 [0,1,0,0,0,0|1,0,1]=3 675 B8R0.1 C=CCOC(=O)CS[13CH3] 62a_200025704644_100000033060 [0,1,0,0,0,0|1,0,1]=3 676 B8R0.1 C=CCOC(C)CCC 34a_100000764384_100015514636 [0,1,0,0,0,0|1,0,2]=4 677 B8R0.1 C=CCOC(C)CCC 34a_200000210373_100000766640 [0,1,0,0,0,0|1,0,2]=4 678 B8R0.1 C=CCOC(C)CCC 7a_100000764384_100015514636 [0,1,0,0,0,0|1,0,2]=4 679 B8R0.1 C=COC(=O)CNCC 2230a_100015525214_100000036128 [0,1,0,0,0,0|0,0,2]=3 680 B8R0.1 C=COC(=O)COCC 34a_100121572206_100000036128 [0,1,0,0,0,0|0,0,2]=3 681 B8R0.1 C=COC(=O)CSCC 62a_100000036128_100000210202 [0,1,0,0,0,0|0,0,2]=3 682 B8R0.1 C=COC(=O)CSCC 62a_100000210202_100000036128 [0,1,0,0,0,0|0,0,2]=3 683 B8R0.1 C=COC(=O)CSCF 62a_100000036128_100015361967 [0,1,0,0,0,0|1,0,2]=4 684 B8R0.1 C=COC(=O)CSCF 62a_100015361967_100000036128 [0,1,0,0,0,0|1,0,2]=4 685 B8R0.1 CC#CC(=O)C/C=C/C 1458a_100000763181_100102629194 [0,1,0,0,0,0|1,0,2]=4 686 B8R0.1 CC#CC(=O)CC=CC 1458a_100000763181_100000070051 [0,1,0,0,0,0|1,0,2]=4 687 B8R0.1 CC#CC(=O)CCC#N 1458a_100000763181_100011215226 [0,1,0,0,0,0|1,0,2]=4 688 B8R0.1 CC#CC(=O)CCCC 1458a_100000763181_100000210211 [0,1,0,0,0,0|1,0,1]=3 689 B8R0.1 CC#CC(=O)CCCF 1458a_100000763181_100011934791 [0,1,0,0,0,0|1,0,1]=3 690 B8R0.1 CC#CC(=O)CCCO 1458a_100000763181_100011215043 [0,1,0,0,0,0|1,0,1]=3 691 B8R0.1 CC#CC(=O)CCOC 1458a_100000763181_100000233755 [0,1,0,0,0,0|1,0,1]=3 692 B8R0.1 CC#CC(=O)CCSC 1458a_100000763181_100000751147 [0,1,0,0,0,0|1,0,1]=3 693 B8R0.1 CC#CC(=O)NNCC 22a_100000756455_100000763181 [0,1,0,0,0,0|1,0,2]=4 694 B8R0.1 CC#CCC(=O)C#CC 1458a_100000763181_100000748600 [0,1,0,0,0,0|1,0,2]=4 695 B8R0.1 CC#CCC(=O)C=CC 1458a_100000210699_100000748600 [0,1,0,0,0,0|1,0,2]=4 696 B8R0.1 CC#CCC(=O)CCC 1458a_100000211992_100000748600 [0,1,0,0,0,0|1,0,1]=3 697 B8R0.1 CC#CCC(=O)CCO 1458a_100011216618_100000748600 [0,1,0,0,0,0|2,0,1]=4 698 B8R0.1 CC#CCC(=O)COC 1458a_100000210968_100000748600 [0,1,0,0,0,0|2,0,1]=4 699 B8R0.1 CC#CCC(=O)CSC 1458a_100000184570_100000748600 [0,1,0,0,0,0|2,0,1]=4 700 B8R0.1 CC(CCBr)OCCF 34a_100012276601_100011217306 [0,1,0,0,0,0|2,0,1]=4 701 B8R0.1 CC(CCBr)OCCO 34a_100012276601_100000211926 [0,1,0,0,0,0|2,0,1]=4 702 B8R0.1 CC(CCCCl)OCF 34a_200000718107_100015361967 [0,1,0,0,0,0|2,0,1]=4 703 B8R0.1 CC(CCCCl)OCF 7a_200000718107_100015361967 [0,1,0,0,0,0|2,0,1]=4 704 B8R0.1 CC(CCO)OCCBr 34a_100000211926_100009893172 [0,1,0,0,0,0|2,0,1]=4 705 B8R0.1 CC(CCO)OCCN 34a_100000210304_100009893172 [0,1,0,0,0,0|2,0,1]=4 706 B8R0.1 CC=CC(=O)C/C=C/C 1458a_100000210699_100102629194 [0,1,0,0,0,0|1,0,2]=4 707 B8R0.1 CC=CC(=O)CCC#N 1458a_100000210699_100011215226 [0,1,0,0,0,0|1,0,2]=4 708 B8R0.1 CC=CC(=O)CCCC 1458a_100000210699_100000210211 [0,1,0,0,0,0|1,0,1]=3 709 B8R0.1 CC=CC(=O)CCCF 1458a_100000210699_100011934791 [0,1,0,0,0,0|1,0,1]=3 710 B8R0.1 CC=CC(=O)CCCO 1458a_100000210699_100011215043 [0,1,0,0,0,0|1,0,1]=3 711 B8R0.1 CC=CC(=O)CCOC 1458a_100000210699_100000233755 [0,1,0,0,0,0|1,0,1]=3 712 B8R0.1 CC=CC(=O)CCSC 1458a_100000210699_100000751147 [0,1,0,0,0,0|1,0,1]=3 713 B8R0.1 CC=CC(=O)NCCC 11a_100020643023_100000210699 [0,1,0,0,0,0|1,0,1]=3 714 B8R0.1 CC=CC(=O)NCCC 1626a_100020643023_100000210699 [0,1,0,0,0,0|1,0,1]=3 715 B8R0.1 CC=CC(=O)NCCC 240690a_100020643023_100000210699 [0,1,0,0,0,0|1,0,1]=3 716 B8R0.1 CC=CC(=O)NCCF 11a_100000724931_100000210699 [0,1,0,0,0,0|1,0,2]=4 717 B8R0.1 CC=CC(=O)NCCF 1626a_100000724931_100000210699 [0,1,0,0,0,0|1,0,2]=4 718 B8R0.1 CC=CC(=O)NCCF 240690a_100000724931_100000210699 [0,1,0,0,0,0|1,0,2]=4 719 B8R0.1 CC=CC(=O)NCCO 240690a_100000210304_100000210699 [0,1,0,0,0,0|1,0,2]=4 720 B8R0.1 CC=CC(=O)NNCC 22a_100000756455_100000210699 [0,1,0,0,0,0|1,0,2]=4 721 B8R0.1 CC=CCC(=O)C=CC 1458a_100000210699_100000070051 [0,1,0,0,0,0|1,0,2]=4 722 B8R0.1 CC=CCC(=O)CCC 1458a_100000211992_100000070051 [0,1,0,0,0,0|1,0,1]=3 723 B8R0.1 CC=CCC(=O)CCC 1458a_100121576822_100000210303 [0,1,0,0,0,0|1,0,1]=3 724 B8R0.1 CC=CCC(=O)CCF 1458a_100121576822_100011217306 [0,1,0,0,0,0|2,0,1]=4 725 B8R0.1 CC=CCC(=O)CCO 1458a_100011216618_100000070051 [0,1,0,0,0,0|2,0,1]=4 726 B8R0.1 CC=CCC(=O)CCO 1458a_100121576822_100000211926 [0,1,0,0,0,0|2,0,1]=4 727 B8R0.1 CC=CCC(=O)COC 1458a_100000210968_100000070051 [0,1,0,0,0,0|2,0,1]=4 728 B8R0.1 CC=CCC(=O)CSC 1458a_100000184570_100000070051 [0,1,0,0,0,0|2,0,1]=4 729 B8R0.1 CC=CCC(=O)NCC 11a_100015525214_100121576822 [0,1,0,0,0,0|1,0,1]=3 730 B8R0.1 CC=CCC(=O)NCC 240690a_100015525214_100121576822 [0,1,0,0,0,0|1,0,1]=3 731 B8R0.1 CC=CCC(=O)NCC 527a_100015525214_100121576822 [0,1,0,0,0,0|1,0,1]=3 732 B8R0.1 CC=CCC(=O)NNC 22a_100016993582_100121576822 [0,1,0,0,0,0|2,0,1]=4 733 B8R0.1 CC=NNC(=O)CCC 4a_100000189770_200000210099 [0,1,0,0,0,0|1,0,1]=3 734 B8R0.1 CC=NNC(=O)COC 4a_100000216845_200000210099 [0,1,0,0,0,0|2,0,1]=4 735 B8R0.1 CCC#CC(=O)CC#N 1458a_100011827653_100011214920 [0,1,0,0,0,0|2,0,1]=4 736 B8R0.1 CCC#CC(=O)CCC 1458a_100011827653_100000210303 [0,1,0,0,0,0|1,0,0]=2 737 B8R0.1 CCC#CC(=O)CCF 1458a_100011827653_100011217306 [0,1,0,0,0,0|2,0,0]=3 738 B8R0.1 CCC#CC(=O)CCO 1458a_100011827653_100000211926 [0,1,0,0,0,0|2,0,0]=3 739 B8R0.1 CCC#CC(=O)NNC 22a_100016993582_100011827653 [0,1,0,0,0,0|2,0,1]=4 740 B8R0.1 CCC#CC(C)OCC 34a_100000033903_100000210202 [0,1,0,0,0,0|1,0,2]=4 741 B8R0.1 CCC#CC(C)OCC 7a_100000033903_100000210202 [0,1,0,0,0,0|1,0,2]=4 742 B8R0.1 CCC=CC(=O)CC#N 1458a_100000212282_100011214920 [0,1,0,0,0,0|2,0,1]=4 743 B8R0.1 CCC=CC(=O)CCC 1458a_100000212282_100000210303 [0,1,0,0,0,0|1,0,0]=2 744 B8R0.1 CCC=CC(=O)CCF 1458a_100000212282_100011217306 [0,1,0,0,0,0|2,0,0]=3 745 B8R0.1 CCC=CC(=O)CCO 1458a_100000212282_100000211926 [0,1,0,0,0,0|2,0,0]=3 746 B8R0.1 CCC=CC(=O)NCC 11a_100015525214_100000212282 [0,1,0,0,0,0|1,0,1]=3 747 B8R0.1 CCC=CC(=O)NCC 240690a_100015525214_100000212282 [0,1,0,0,0,0|1,0,1]=3 748 B8R0.1 CCC=CC(=O)NNC 22a_100016993582_100000212282 [0,1,0,0,0,0|2,0,1]=4 749 B8R0.1 CCCC(=NNCC)C 4a_100000756455_100000211909 [0,1,0,0,0,0|2,0,0]=3 750 B8R0.1 CCCC(=O)C#CCO 1458a_100000049017_100000210303 [0,1,0,0,0,0|1,0,1]=3 751 B8R0.1 CCCC(=O)C=COC 1458a_100016268678_100000210303 [0,1,0,0,0,0|1,0,1]=3 752 B8R0.1 CCCC(=O)CCC#N 1458a_100000211992_100011215226 [0,1,0,0,0,0|1,0,1]=3 753 B8R0.1 CCCC(=O)CCC#N 1458a_100011934036_100000210303 [0,1,0,0,0,0|1,0,1]=3 754 B8R0.1 CCCC(=O)CCCF 1458a_100000211992_100011934791 [0,1,0,0,0,0|1,0,0]=2 755 B8R0.1 CCCC(=O)CCCO 1458a_100000211992_100011215043 [0,1,0,0,0,0|1,0,0]=2 756 B8R0.1 CCCC(=O)CCOC 1458a_100000211992_100000233755 [0,1,0,0,0,0|1,0,0]=2 757 B8R0.1 CCCC(=O)CCOC 1458a_100000749529_100000210303 [0,1,0,0,0,0|1,0,0]=2 758 B8R0.1 CCCC(=O)CCSC 1458a_100000174002_100000210303 [0,1,0,0,0,0|1,0,0]=2 759 B8R0.1 CCCC(=O)CCSC 1458a_100000211992_100000751147 [0,1,0,0,0,0|1,0,0]=2 760 B8R0.1 CCCC(=O)CNCC 2230a_100015525214_100000747444 [0,1,0,0,0,0|1,0,0]=2 761 B8R0.1 CCCC(=O)COCC 1458a_100000211967_100000210303 [0,1,0,0,0,0|0,0,0]=1 762 B8R0.1 CCCC(=O)CSCC 1458a_100000230394_100000210303 [0,1,0,0,0,0|0,1,0]=2 763 B8R0.1 CCCC(=O)CSCC 62a_100000210202_100000747444 [0,1,0,0,0,0|0,1,0]=2 764 B8R0.1 CCCC(=O)CSCC 62a_100000747444_100000210202 [0,1,0,0,0,0|0,1,0]=2 765 B8R0.1 CCCC(=O)CSCF 62a_100000747444_100015361967 [0,1,0,0,0,0|1,1,0]=3 766 B8R0.1 CCCC(=O)CSCF 62a_100015361967_100000747444 [0,1,0,0,0,0|1,1,0]=3 767 B8R0.1 CCCC(=O)NCC#N 1626a_100000734998_100000211992 [0,1,0,0,0,0|1,0,1]=3 768 B8R0.1 CCCC(=O)NCC#N 527a_100000734998_100000211992 [0,1,0,0,0,0|1,0,1]=3 769 B8R0.1 CCCC(=O)NCCF 11a_100000724931_100000211992 [0,1,0,0,0,0|1,0,0]=2 770 B8R0.1 CCCC(=O)NCCF 1626a_100000724931_100000211992 [0,1,0,0,0,0|1,0,0]=2 771 B8R0.1 CCCC(=O)NCCF 240690a_100000724931_100000211992 [0,1,0,0,0,0|1,0,0]=2 772 B8R0.1 CCCC(=O)NCCF 527a_100000724931_100000211992 [0,1,0,0,0,0|1,0,0]=2 773 B8R0.1 CCCC(=O)NCCO 240690a_100000210304_100000211992 [0,1,0,0,0,0|1,0,0]=2 774 B8R0.1 CCCC(=O)NCCO 527a_100000210304_100000211992 [0,1,0,0,0,0|1,0,0]=2 775 B8R0.1 CCCC(=O)NNCC 22a_100000756455_100000211992 [0,1,0,0,0,0|1,0,0]=2 776 B8R0.1 CCCC(=O)OCNC 2230a_106832991635_100000034017 [0,1,0,0,0,0|0,0,0]=1 777 B8R0.1 CCCC(=O)OCNC 34a_100102657272_100000034017 [0,1,0,0,0,0|0,0,0]=1 778 B8R0.1 CCCC(=O)OCOC 34a_100138415774_100000034017 [0,1,0,0,0,0|0,0,0]=1 779 B8R0.1 CCCC(=O)OCSC 62a_200000210301_100000034017 [0,1,0,0,0,0|0,0,0]=1 780 B8R0.1 CCCC(=O)OCS[13CH3] 62a_200025704644_100000034017 [0,1,0,0,0,0|0,0,0]=1 781 B8R0.1 CCCC(C)CCOC 34a_100011217855_200000210301 [0,1,0,0,0,0|2,0,1]=4 782 B8R0.1 CCCC(C)CCOC 7a_100011217855_200000210301 [0,1,0,0,0,0|2,0,1]=4 783 B8R0.1 CCCC(C)CCO[13CH3] 34a_100011217855_200025704644 [0,1,0,0,0,0|2,0,1]=4 784 B8R0.1 CCCC(C)CCO[13CH3] 7a_100011217855_200025704644 [0,1,0,0,0,0|2,0,1]=4 785 B8R0.1 CCCC(C)CNCC 2230a_100015525214_100011216630 [0,1,0,0,0,0|2,0,1]=4 786 B8R0.1 CCCC(C)CNCC 270004a_100015525214_100000243154 [0,1,0,0,0,0|2,0,1]=4 787 B8R0.1 CCCC(C)COCC 34a_100000688023_100000210202 [0,1,0,0,0,0|1,0,1]=3 788 B8R0.1 CCCC(C)COCC 34a_100121572206_100011216630 [0,1,0,0,0,0|1,0,1]=3 789 B8R0.1 CCCC(C)COCC 7a_100000688023_100000210202 [0,1,0,0,0,0|1,0,1]=3 790 B8R0.1 CCCC(C)COCF 34a_100000688023_100015361967 [0,1,0,0,0,0|2,0,1]=4 791 B8R0.1 CCCC(C)COCF 7a_100000688023_100015361967 [0,1,0,0,0,0|2,0,1]=4 792 B8R0.1 CCCC(C)CSCC 62a_100000210202_100011216630 [0,1,0,0,0,0|1,1,1]=4 793 B8R0.1 CCCC(C)CSCC 62a_100011216630_100000210202 [0,1,0,0,0,0|1,1,1]=4 794 B8R0.1 CCCC(C)NCCF 2230a_100000741246_100011217306 [0,1,0,0,0,0|2,0,1]=4 795 B8R0.1 CCCC(C)NCCF 34a_100000724931_100000766640 [0,1,0,0,0,0|2,0,1]=4 796 B8R0.1 CCCC(C)NCCO 2230a_100000741246_100000211926 [0,1,0,0,0,0|2,0,1]=4 797 B8R0.1 CCCC(C)NCCO 2230a_100016997473_100000766640 [0,1,0,0,0,0|2,0,1]=4 798 B8R0.1 CCCC(C)NCCO 270004a_100000210304_100000211909 [0,1,0,0,0,0|2,0,1]=4 799 B8R0.1 CCCC(C)NCCO 34a_100016990907_100000766640 [0,1,0,0,0,0|2,0,1]=4 800 B8R0.1 CCCC(C)NCOC 2230a_100000741246_100000766300 [0,1,0,0,0,0|2,0,1]=4 801 B8R0.1 CCCC(C)NCSC 2230a_100000741246_100011218213 [0,1,0,0,0,0|2,0,1]=4 802 B8R0.1 CCCC(C)OCC#N 7a_100000764384_100011215382 [0,1,0,0,0,0|1,0,2]=4 803 B8R0.1 CCCC(C)OCC=O 34a_100000764384_200009817547 [0,1,0,0,0,0|1,0,2]=4 804 B8R0.1 CCCC(C)OCC=O 7a_100000764384_200015260668 [0,1,0,0,0,0|1,0,2]=4 805 B8R0.1 CCCC(C)OCCBr 34a_100000211926_100000766640 [0,1,0,0,0,0|1,0,1]=3 806 B8R0.1 CCCC(C)OCCF 34a_100000764384_100011217306 [0,1,0,0,0,0|1,0,1]=3 807 B8R0.1 CCCC(C)OCCF 7a_100000764384_100011217306 [0,1,0,0,0,0|1,0,1]=3 808 B8R0.1 CCCC(C)OCCN 34a_100000210304_100000766640 [0,1,0,0,0,0|1,0,1]=3 809 B8R0.1 CCCC(C)OCCO 34a_100000764384_100000211926 [0,1,0,0,0,0|1,0,1]=3 810 B8R0.1 CCCC(C)OCCO 7a_100000764384_100000211926 [0,1,0,0,0,0|1,0,1]=3 811 B8R0.1 CCCC(C)OCSC 34a_100000764384_100011218213 [0,1,0,0,0,0|1,0,1]=3 812 B8R0.1 CCCC(C)SCCF 62a_100000766640_100011217306 [0,1,0,0,0,0|1,1,1]=4 813 B8R0.1 CCCC(C)SCCF 62a_100011217306_100000766640 [0,1,0,0,0,0|1,1,1]=4 814 B8R0.1 CCCC(C)SCCO 62a_100000211926_100000766640 [0,1,0,0,0,0|1,1,1]=4 815 B8R0.1 CCCC(C)SCCO 62a_100000766640_100000211926 [0,1,0,0,0,0|1,1,1]=4 816 B8R0.1 CCCC(C)SCOC 62a_100000766300_100000766640 [0,1,0,0,0,0|1,1,1]=4 817 B8R0.1 CCCC(C)SCOC 62a_100000766640_100000766300 [0,1,0,0,0,0|1,1,1]=4 818 B8R0.1 CCCC(C)SCSC 62a_100000766640_100011218213 [0,1,0,0,0,0|1,1,1]=4 819 B8R0.1 CCCC(C)SCSC 62a_100011218213_100000766640 [0,1,0,0,0,0|1,1,1]=4 820 B8R0.1 CCCCC(=O)C=CBr 1458a_100016273825_100000210211 [0,1,0,0,0,0|2,0,1]=4 821 B8R0.1 CCCCC(=O)C=CCl 1458a_200016279998_100000210211 [0,1,0,0,0,0|2,0,1]=4 822 B8R0.1 CCCCC(=O)C=CI 1458a_100016256311_100000210211 [0,1,0,0,0,0|2,0,1]=4 823 B8R0.1 CCCCC(=O)CC#N 1458a_100000210183_100011214920 [0,1,0,0,0,0|2,0,1]=4 824 B8R0.1 CCCCC(=O)CC#N 1458a_100051588842_100000210211 [0,1,0,0,0,0|2,0,1]=4 825 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [0,1,0,0,0,0|1,0,0]=2 826 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [0,1,0,0,0,0|1,0,0]=2 827 B8R0.1 CCCCC(=O)CCF 1458a_100000210183_100011217306 [0,1,0,0,0,0|2,0,0]=3 828 B8R0.1 CCCCC(=O)CCO 1458a_100000210183_100000211926 [0,1,0,0,0,0|2,0,0]=3 829 B8R0.1 CCCCC(=O)CCO 1458a_100011216618_100000210211 [0,1,0,0,0,0|2,0,0]=3 830 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [0,1,0,0,0,0|2,0,0]=3 831 B8R0.1 CCCCC(=O)CSC 1458a_100000184570_100000210211 [0,1,0,0,0,0|2,0,0]=3 832 B8R0.1 CCCCC(=O)NCC 11a_100015525214_100000210183 [0,1,0,0,0,0|1,0,0]=2 833 B8R0.1 CCCCC(=O)NCC 240690a_100015525214_100000210183 [0,1,0,0,0,0|1,0,0]=2 834 B8R0.1 CCCCC(=O)NCC 527a_100015525214_100000210183 [0,1,0,0,0,0|1,0,0]=2 835 B8R0.1 CCCCC(=O)NNC 22a_100016993582_100000210183 [0,1,0,0,0,0|2,0,0]=3 836 B8R0.1 CCCCC(C)NCC 2230a_100000126638_100000210202 [0,1,0,0,0,0|2,0,1]=4 837 B8R0.1 CCCCC(C)NCC 2230a_100015525214_200011215066 [0,1,0,0,0,0|2,0,1]=4 838 B8R0.1 CCCCC(C)NCC 270004a_100015525214_100000210087 [0,1,0,0,0,0|2,0,1]=4 839 B8R0.1 CCCCC(C)OCC 34a_100000687866_100000210202 [0,1,0,0,0,0|1,0,1]=3 840 B8R0.1 CCCCC(C)OCC 34a_100121572206_200011215066 [0,1,0,0,0,0|1,0,1]=3 841 B8R0.1 CCCCC(C)OCC 7a_100000687866_100000210202 [0,1,0,0,0,0|1,0,1]=3 842 B8R0.1 CCCCC(C)OCF 34a_100000687866_100015361967 [0,1,0,0,0,0|2,0,1]=4 843 B8R0.1 CCCCC(C)OCF 7a_100000687866_100015361967 [0,1,0,0,0,0|2,0,1]=4 844 B8R0.1 CCCCC(C)SCC 62a_100000210202_200011215066 [0,1,0,0,0,0|1,1,1]=4 845 B8R0.1 CCCCC(C)SCC 62a_200011215066_100000210202 [0,1,0,0,0,0|1,1,1]=4 846 B8R0.1 CCCCN(C)CCC 2230a_100000207549_100000210303 [0,1,0,0,0,0|3,0,0]=4 847 B8R0.1 CCCCN(C)CCC 2230a_100000747261_100000210211 [0,1,0,0,0,0|3,0,0]=4 848 B8R0.1 CCCCN(C)CCC 2230a_200000207744_200000210301 [0,1,0,0,0,0|3,0,0]=4 849 B8R0.1 CCCCN(C)CCC 269982a_100000207549_100000210303 [0,1,0,0,0,0|3,0,0]=4 850 B8R0.1 CCCCN(C)CCC 269982a_100000747261_100000210211 [0,1,0,0,0,0|3,0,0]=4 851 B8R0.1 CCCCN(C)CCC 269982a_200000207744_200000210301 [0,1,0,0,0,0|3,0,0]=4 852 B8R0.1 CCCCN([13CH3])CCC 2230a_200000207744_200025704644 [0,1,0,0,0,0|3,0,0]=4 853 B8R0.1 CCCCN([13CH3])CCC 269982a_200000207744_200025704644 [0,1,0,0,0,0|3,0,0]=4 854 B8R0.1 CCCN(C)CCCF 2230a_100000747261_100011934791 [0,1,0,0,0,0|3,0,0]=4 855 B8R0.1 CCCN(C)CCCF 269982a_100000747261_100011934791 [0,1,0,0,0,0|3,0,0]=4 856 B8R0.1 CCCN(C)CCCO 2230a_100000213112_100000210303 [0,1,0,0,0,0|3,0,0]=4 857 B8R0.1 CCCN(C)CCCO 2230a_100000747261_100000230001 [0,1,0,0,0,0|3,0,0]=4 858 B8R0.1 CCCN(C)CCCO 269982a_100000213112_100000210303 [0,1,0,0,0,0|3,0,0]=4 859 B8R0.1 CCCN(C)CCCO 269982a_100000747261_100011215043 [0,1,0,0,0,0|3,0,0]=4 860 B8R0.1 CCCN(C)CCOC 2230a_100000743101_100000210303 [0,1,0,0,0,0|3,0,0]=4 861 B8R0.1 CCCN(C)CCOC 2230a_100000747261_100011201679 [0,1,0,0,0,0|3,0,0]=4 862 B8R0.1 CCCN(C)CCOC 2230a_200011192371_200000210301 [0,1,0,0,0,0|3,0,0]=4 863 B8R0.1 CCCN(C)CCOC 269982a_100000743101_100000210303 [0,1,0,0,0,0|3,0,0]=4 864 B8R0.1 CCCN(C)CCOC 269982a_100000747261_100000233755 [0,1,0,0,0,0|3,0,0]=4 865 B8R0.1 CCCN(C)CCOC 269982a_200011192371_200000210301 [0,1,0,0,0,0|3,0,0]=4 866 B8R0.1 CCCN(C)CCSC 2230a_100000686725_100000210303 [0,1,0,0,0,0|3,0,0]=4 867 B8R0.1 CCCN(C)CCSC 2230a_100000747261_100000751147 [0,1,0,0,0,0|3,0,0]=4 868 B8R0.1 CCCN(C)CCSC 269982a_100000686725_100000210303 [0,1,0,0,0,0|3,0,0]=4 869 B8R0.1 CCCN(C)CCSC 269982a_100000747261_100000212216 [0,1,0,0,0,0|3,0,0]=4 870 B8R0.1 CCCN(C)COCC 269982a_100000747261_100000739092 [0,1,0,0,0,0|2,0,0]=3 871 B8R0.1 CCCN([13CH3])CCOC 2230a_200011192371_200025704644 [0,1,0,0,0,0|3,0,0]=4 872 B8R0.1 CCCN([13CH3])CCOC 269982a_200011192371_200025704644 [0,1,0,0,0,0|3,0,0]=4 873 B8R0.1 CCCNC(=O)C=CBr 1626a_100020643023_100016273825 [0,1,0,0,0,0|2,0,1]=4 874 B8R0.1 CCCNC(=O)C=CBr 240690a_100020643023_100016273825 [0,1,0,0,0,0|2,0,1]=4 875 B8R0.1 CCCNC(=O)C=CCl 11a_100020643023_200016279998 [0,1,0,0,0,0|2,0,1]=4 876 B8R0.1 CCCNC(=O)C=CCl 1626a_100020643023_200016279998 [0,1,0,0,0,0|2,0,1]=4 877 B8R0.1 CCCNC(=O)C=CCl 240690a_100020643023_200016279998 [0,1,0,0,0,0|2,0,1]=4 878 B8R0.1 CCCNC(=O)C=CI 1626a_100020643023_100016256311 [0,1,0,0,0,0|2,0,1]=4 879 B8R0.1 CCCNC(=O)CC#N 1626a_100020643023_100051588842 [0,1,0,0,0,0|2,0,1]=4 880 B8R0.1 CCCNC(=O)CC#N 240690a_100020643023_100051588842 [0,1,0,0,0,0|2,0,1]=4 881 B8R0.1 CCCNC(=O)CCC 11a_100020643023_100000211992 [0,1,0,0,0,0|1,0,0]=2 882 B8R0.1 CCCNC(=O)CCC 1626a_100020643023_100000211992 [0,1,0,0,0,0|1,0,0]=2 883 B8R0.1 CCCNC(=O)CCC 240690a_100020643023_100000211992 [0,1,0,0,0,0|1,0,0]=2 884 B8R0.1 CCCNC(=O)CCC 527a_100020643023_100000211992 [0,1,0,0,0,0|1,0,0]=2 885 B8R0.1 CCCNC(=O)CCO 240690a_100020643023_100011216618 [0,1,0,0,0,0|2,0,0]=3 886 B8R0.1 CCCNC(=O)CNC 2230a_100000174927_200000210301 [0,1,0,0,0,0|2,0,0]=3 887 B8R0.1 CCCNC(=O)CNC 2230a_106832991635_100000183358 [0,1,0,0,0,0|2,0,0]=3 888 B8R0.1 CCCNC(=O)CNC 34a_100102657272_100000183358 [0,1,0,0,0,0|2,0,0]=3 889 B8R0.1 CCCNC(=O)CNC 7a_106832991635_100000183358 [0,1,0,0,0,0|2,0,0]=3 890 B8R0.1 CCCNC(=O)CN[13CH3] 2230a_100000174927_200025704644 [0,1,0,0,0,0|2,0,0]=3 891 B8R0.1 CCCNC(=O)COC 11a_100020643023_100000210968 [0,1,0,0,0,0|2,0,0]=3 892 B8R0.1 CCCNC(=O)COC 1626a_100020643023_100000210968 [0,1,0,0,0,0|2,0,0]=3 893 B8R0.1 CCCNC(=O)COC 240690a_100020643023_100000210968 [0,1,0,0,0,0|2,0,0]=3 894 B8R0.1 CCCNC(=O)COC 34a_100138415774_100000183358 [0,1,0,0,0,0|2,0,0]=3 895 B8R0.1 CCCNC(=O)COC 527a_100020643023_100000210968 [0,1,0,0,0,0|2,0,0]=3 896 B8R0.1 CCCNC(=O)CSC 11a_100020643023_100000184570 [0,1,0,0,0,0|2,0,0]=3 897 B8R0.1 CCCNC(=O)CSC 1626a_100020643023_100000184570 [0,1,0,0,0,0|2,0,0]=3 898 B8R0.1 CCCNC(=O)CSC 240690a_100020643023_100000184570 [0,1,0,0,0,0|2,0,0]=3 899 B8R0.1 CCCNC(=O)CSC 527a_100020643023_100000184570 [0,1,0,0,0,0|2,0,0]=3 900 B8R0.1 CCCNC(=O)CSC 62a_100000183358_200000210301 [0,1,0,0,0,0|2,0,0]=3 901 B8R0.1 CCCNC(=O)CSC 62a_200000210301_100000183358 [0,1,0,0,0,0|2,0,0]=3 902 B8R0.1 CCCNC(=O)CS[13CH3] 62a_100000183358_200025704644 [0,1,0,0,0,0|2,0,0]=3 903 B8R0.1 CCCNC(=O)CS[13CH3] 62a_200025704644_100000183358 [0,1,0,0,0,0|2,0,0]=3 904 B8R0.1 CCCNC(=O)NCC 2708a_100015525214_100020643023 [0,1,0,0,0,0|1,0,0]=2 905 B8R0.1 CCCNC(=O)NCC 2708a_100020643023_100015525214 [0,1,0,0,0,0|1,0,0]=2 906 B8R0.1 CCCNC(=O)NCC 273464a_100015525214_100020643023 [0,1,0,0,0,0|1,0,0]=2 907 B8R0.1 CCCNC(=O)NCC 273464a_100020643023_100015525214 [0,1,0,0,0,0|1,0,0]=2 908 B8R0.1 CCCNC(=O)NCC 512a_100015525214_100020643023 [0,1,0,0,0,0|1,0,0]=2 909 B8R0.1 CCCNC(=O)NCC 512a_100020643023_100015525214 [0,1,0,0,0,0|1,0,0]=2 910 B8R0.1 CCCNC(=O)NNC 273464a_100020643023_100016993582 [0,1,0,0,0,0|2,0,0]=3 911 B8R0.1 CCCNC(=O)NNC 512a_100016993582_100020643023 [0,1,0,0,0,0|2,0,0]=3 912 B8R0.1 CCCNC(=O)NNC 512a_100020643023_100016993582 [0,1,0,0,0,0|2,0,0]=3 913 B8R0.1 CCCNC(C)CCC 2230a_100000741246_100000210303 [0,1,0,0,0,0|2,0,1]=4 914 B8R0.1 CCCNC(C)CCC 270004a_100020643023_100000211909 [0,1,0,0,0,0|2,0,1]=4 915 B8R0.1 CCCOC(=O)CNC 2230a_106832991635_200011215008 [0,1,0,0,0,0|1,0,0]=2 916 B8R0.1 CCCOC(=O)CNC 34a_100102657272_200011215008 [0,1,0,0,0,0|1,0,0]=2 917 B8R0.1 CCCOC(=O)CNC 7a_106832991635_200011215008 [0,1,0,0,0,0|1,0,0]=2 918 B8R0.1 CCCOC(=O)COC 34a_100138415774_200011215008 [0,1,0,0,0,0|1,0,0]=2 919 B8R0.1 CCCOC(=O)CSC 62a_200000210301_200011215008 [0,1,0,0,0,0|1,0,0]=2 920 B8R0.1 CCCOC(=O)CSC 62a_200011215008_200000210301 [0,1,0,0,0,0|1,0,0]=2 921 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200011215008_200025704644 [0,1,0,0,0,0|1,0,0]=2 922 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200025704644_200011215008 [0,1,0,0,0,0|1,0,0]=2 923 B8R0.1 CCCOC(C)CCBr 34a_100012276601_100000210303 [0,1,0,0,0,0|2,0,1]=4 924 B8R0.1 CCCOC(C)CCC 34a_100000210258_100000766640 [0,1,0,0,0,0|1,0,1]=3 925 B8R0.1 CCCOC(C)CCC 34a_100000764384_100000210303 [0,1,0,0,0,0|1,0,1]=3 926 B8R0.1 CCCOC(C)CCC 7a_100000764384_100000210303 [0,1,0,0,0,0|1,0,1]=3 927 B8R0.1 CCCOC(C)CCO 34a_100000210258_100009893172 [0,1,0,0,0,0|2,0,1]=4 928 B8R0.1 CCCOC(C)CNC 2230a_100015185124_200000210301 [0,1,0,0,0,0|2,0,1]=4 929 B8R0.1 CCCOC(C)CNC 34a_100015185124_200000210301 [0,1,0,0,0,0|2,0,1]=4 930 B8R0.1 CCCOC(C)CN[13CH3] 2230a_100015185124_200025704644 [0,1,0,0,0,0|2,0,1]=4 931 B8R0.1 CCCOC(C)CN[13CH3] 34a_100015185124_200025704644 [0,1,0,0,0,0|2,0,1]=4 932 B8R0.1 CCCOC(C)COC 34a_100000210258_100000765312 [0,1,0,0,0,0|2,0,1]=4 933 B8R0.1 CCCO[C@H](C)COC 34a_100011934205_100000210303 [0,1,0,0,0,0|2,0,1]=4 934 B8R0.1 CCCSC(C)CCC 62a_100000210303_100000766640 [0,1,0,0,0,0|1,1,1]=4 935 B8R0.1 CCCSC(C)CCC 62a_100000766640_100000210303 [0,1,0,0,0,0|1,1,1]=4 936 B8R0.1 CCC[C@H](N)CCOC 34a_100015193777_200000210301 [0,1,0,0,0,0|2,0,1]=4 937 B8R0.1 CCC[C@H](N)CCO[13CH3] 34a_100015193777_200025704644 [0,1,0,0,0,0|2,0,1]=4 938 B8R0.1 CCC[C@H](N)COCC 34a_100000732646_100000210202 [0,1,0,0,0,0|1,0,1]=3 939 B8R0.1 CCC[C@H](N)COCF 34a_100000732646_100015361967 [0,1,0,0,0,0|2,0,1]=4 940 B8R0.1 CCNC(=O)C=COC 240690a_100015525214_100016268678 [0,1,0,0,0,0|1,0,2]=4 941 B8R0.1 CCNC(=O)CCC#N 11a_100015525214_100011934036 [0,1,0,0,0,0|1,0,1]=3 942 B8R0.1 CCNC(=O)CCC#N 240690a_100015525214_100011934036 [0,1,0,0,0,0|1,0,1]=3 943 B8R0.1 CCNC(=O)CCC#N 527a_100015525214_100011934036 [0,1,0,0,0,0|1,0,1]=3 944 B8R0.1 CCNC(=O)CCNC 2230a_106832991635_100000737597 [0,1,0,0,0,0|1,0,0]=2 945 B8R0.1 CCNC(=O)CCNC 34a_100025743525_200000210301 [0,1,0,0,0,0|1,0,0]=2 946 B8R0.1 CCNC(=O)CCNC 7a_106832991635_100000737597 [0,1,0,0,0,0|1,0,0]=2 947 B8R0.1 CCNC(=O)CCN[13CH3] 34a_100025743525_200025704644 [0,1,0,0,0,0|1,0,0]=2 948 B8R0.1 CCNC(=O)CCOC 11a_100015525214_100000749529 [0,1,0,0,0,0|1,0,0]=2 949 B8R0.1 CCNC(=O)CCOC 240690a_100015525214_100000749529 [0,1,0,0,0,0|1,0,0]=2 950 B8R0.1 CCNC(=O)CCOC 527a_100015525214_100000749529 [0,1,0,0,0,0|1,0,0]=2 951 B8R0.1 CCNC(=O)CCSC 11a_100015525214_100000174002 [0,1,0,0,0,0|1,0,0]=2 952 B8R0.1 CCNC(=O)CCSC 240690a_100015525214_100000174002 [0,1,0,0,0,0|1,0,0]=2 953 B8R0.1 CCNC(=O)CCSC 527a_100015525214_100000174002 [0,1,0,0,0,0|1,0,0]=2 954 B8R0.1 CCNC(=O)CCSC 62a_100000737597_200000210301 [0,1,0,0,0,0|1,0,0]=2 955 B8R0.1 CCNC(=O)CCSC 62a_200000210301_100000737597 [0,1,0,0,0,0|1,0,0]=2 956 B8R0.1 CCNC(=O)CCS[13CH3] 62a_100000737597_200025704644 [0,1,0,0,0,0|1,0,0]=2 957 B8R0.1 CCNC(=O)CCS[13CH3] 62a_200025704644_100000737597 [0,1,0,0,0,0|1,0,0]=2 958 B8R0.1 CCNC(=O)CN=[N+]=[N-] 11a_100015525214_100000751907 [0,1,0,0,0,0|3,0,0]=4 959 B8R0.1 CCNC(=O)CN=[N+]=[N-] 240690a_100015525214_100000751907 [0,1,0,0,0,0|3,0,0]=4 960 B8R0.1 CCNC(=O)COCC 11a_100015525214_100000211967 [0,1,0,0,0,0|1,0,0]=2 961 B8R0.1 CCNC(=O)COCC 240690a_100015525214_100000211967 [0,1,0,0,0,0|1,0,0]=2 962 B8R0.1 CCNC(=O)COCC 34a_100121572206_100000183381 [0,1,0,0,0,0|1,0,0]=2 963 B8R0.1 CCNC(=O)COCC 527a_100015525214_100000211967 [0,1,0,0,0,0|1,0,0]=2 964 B8R0.1 CCNC(=O)CSCC 11a_100015525214_100000230394 [0,1,0,0,0,0|1,0,0]=2 965 B8R0.1 CCNC(=O)CSCC 240690a_100015525214_100000230394 [0,1,0,0,0,0|1,0,0]=2 966 B8R0.1 CCNC(=O)CSCC 527a_100015525214_100000230394 [0,1,0,0,0,0|1,0,0]=2 967 B8R0.1 CCNC(=O)CSCC 62a_100000183381_100000210202 [0,1,0,0,0,0|1,0,0]=2 968 B8R0.1 CCNC(=O)CSCC 62a_100000210202_100000183381 [0,1,0,0,0,0|1,0,0]=2 969 B8R0.1 CCNC(=O)CSCF 62a_100000183381_100015361967 [0,1,0,0,0,0|2,0,0]=3 970 B8R0.1 CCNC(=O)CSCF 62a_100015361967_100000183381 [0,1,0,0,0,0|2,0,0]=3 971 B8R0.1 CCNC(=O)NCC#N 2708a_100000734998_100015525214 [0,1,0,0,0,0|2,0,1]=4 972 B8R0.1 CCNC(=O)NCC#N 273464a_100000734998_100015525214 [0,1,0,0,0,0|2,0,1]=4 973 B8R0.1 CCNC(=O)NCC#N 273464a_100015525214_100000734998 [0,1,0,0,0,0|2,0,1]=4 974 B8R0.1 CCNC(=O)NCC#N 512a_100000734998_100015525214 [0,1,0,0,0,0|2,0,1]=4 975 B8R0.1 CCNC(=O)NCC#N 512a_100015525214_100000734998 [0,1,0,0,0,0|2,0,1]=4 976 B8R0.1 CCNC(=O)NCCF 2708a_100015525214_100000724931 [0,1,0,0,0,0|2,0,0]=3 977 B8R0.1 CCNC(=O)NCCF 273464a_100000724931_100015525214 [0,1,0,0,0,0|2,0,0]=3 978 B8R0.1 CCNC(=O)NCCF 273464a_100015525214_100000724931 [0,1,0,0,0,0|2,0,0]=3 979 B8R0.1 CCNC(=O)NCCF 512a_100015525214_100000724931 [0,1,0,0,0,0|2,0,0]=3 980 B8R0.1 CCNC(=O)NCCO 2708a_100015525214_100000210304 [0,1,0,0,0,0|2,0,0]=3 981 B8R0.1 CCNC(=O)NCCO 273464a_100000210304_100015525214 [0,1,0,0,0,0|2,0,0]=3 982 B8R0.1 CCNC(=O)NCCO 273464a_100015525214_100000210304 [0,1,0,0,0,0|2,0,0]=3 983 B8R0.1 CCNC(=O)NCCO 512a_100015525214_100000210304 [0,1,0,0,0,0|2,0,0]=3 984 B8R0.1 CCNC(C)CCOC 270004a_100015525214_100000742357 [0,1,0,0,0,0|2,0,1]=4 985 B8R0.1 CCNC(C)CCSC 270004a_100015525214_100011217047 [0,1,0,0,0,0|2,0,1]=4 986 B8R0.1 CCNC(C)CSCC 270004a_100015525214_200011216171 [0,1,0,0,0,0|2,0,1]=4 987 B8R0.1 CCNCC(=O)NCC 2230a_100015525214_100000183381 [0,1,0,0,0,0|1,0,0]=2 988 B8R0.1 CCNCC(=O)NCC 2230a_100016988866_100000210202 [0,1,0,0,0,0|1,0,0]=2 989 B8R0.1 CCNCC(=O)NCO 2230a_100015525214_100000185155 [0,1,0,0,0,0|2,0,0]=3 990 B8R0.1 CCNCC(=O)OCC 2230a_100015525214_100000188475 [0,1,0,0,0,0|0,0,0]=1 991 B8R0.1 CCNN=C(C)COC 4a_100000756455_100000749346 [0,1,0,0,0,0|3,0,0]=4 992 B8R0.1 CCNN=C(C)CSC 4a_100000756455_100011216314 [0,1,0,0,0,0|3,0,0]=4 993 B8R0.1 CCNNC(=O)CC#N 22a_100000756455_100051588842 [0,1,0,0,0,0|2,0,1]=4 994 B8R0.1 CCNNC(=O)CCO 22a_100000756455_100011216618 [0,1,0,0,0,0|2,0,0]=3 995 B8R0.1 CCNNC(=O)COC 22a_100000756455_100000210968 [0,1,0,0,0,0|2,0,0]=3 996 B8R0.1 CCNNC(=O)CSC 22a_100000756455_100000184570 [0,1,0,0,0,0|2,0,0]=3 997 B8R0.1 CCNNC(=O)NCC 273464a_100015525214_100000756455 [0,1,0,0,0,0|2,0,0]=3 998 B8R0.1 CCNNC(=O)NCC 512a_100000756455_100015525214 [0,1,0,0,0,0|2,0,0]=3 999 B8R0.1 CCNNC(=O)NCC 512a_100015525214_100000756455 [0,1,0,0,0,0|2,0,0]=3 1000 B8R0.1 CCNNC(=O)NNC 512a_100000756455_100016993582 [0,1,0,0,0,0|3,0,0]=4 1001 B8R0.1 CCNNC(=O)NNC 512a_100016993582_100000756455 [0,1,0,0,0,0|3,0,0]=4 1002 B8R0.1 CCOC(=O)CCNC 2230a_106832991635_100011206558 [0,1,0,0,0,0|0,0,0]=1 1003 B8R0.1 CCOC(=O)CCNC 34a_100102657272_100000765890 [0,1,0,0,0,0|0,0,0]=1 1004 B8R0.1 CCOC(=O)CCNC 7a_106832991635_100011206558 [0,1,0,0,0,0|0,0,0]=1 1005 B8R0.1 CCOC(=O)CCOC 34a_100138415774_100000765890 [0,1,0,0,0,0|0,0,0]=1 1006 B8R0.1 CCOC(=O)CCSC 62a_100000765890_200000210301 [0,1,0,0,0,0|0,0,0]=1 1007 B8R0.1 CCOC(=O)CCSC 62a_200000210301_100000765890 [0,1,0,0,0,0|0,0,0]=1 1008 B8R0.1 CCOC(=O)CCS[13CH3] 62a_100000765890_200025704644 [0,1,0,0,0,0|0,0,0]=1 1009 B8R0.1 CCOC(=O)CCS[13CH3] 62a_200025704644_100000765890 [0,1,0,0,0,0|0,0,0]=1 1010 B8R0.1 CCOC(=O)CSCC 62a_100000188475_100000210202 [0,1,0,0,0,0|0,0,0]=1 1011 B8R0.1 CCOC(=O)CSCC 62a_100000210202_100000188475 [0,1,0,0,0,0|0,0,0]=1 1012 B8R0.1 CCOC(=O)CSCF 62a_100000188475_100015361967 [0,1,0,0,0,0|1,0,0]=2 1013 B8R0.1 CCOC(=O)CSCF 62a_100015361967_100000188475 [0,1,0,0,0,0|1,0,0]=2 1014 B8R0.1 CCOC(=O)OCSC 62a_200000210301_100000075025 [0,1,0,0,0,0|1,0,0]=2 1015 B8R0.1 CCOC(=O)OCS[13CH3] 62a_200025704644_100000075025 [0,1,0,0,0,0|1,0,0]=2 1016 B8R0.1 CCOC(C)CCCCl 34a_200000718107_100000210202 [0,1,0,0,0,0|1,0,1]=3 1017 B8R0.1 CCOC(C)CCCCl 7a_200000718107_100000210202 [0,1,0,0,0,0|1,0,1]=3 1018 B8R0.1 CCOCC(=O)CC#N 1458a_100000211967_100011214920 [0,1,0,0,0,0|1,0,1]=3 1019 B8R0.1 CCOCC(=O)CCF 1458a_100000211967_100011217306 [0,1,0,0,0,0|1,0,0]=2 1020 B8R0.1 CCOCC(=O)CCO 1458a_100000211967_100000211926 [0,1,0,0,0,0|1,0,0]=2 1021 B8R0.1 CCOCC(=O)NCO 34a_100121572206_100000185155 [0,1,0,0,0,0|2,0,0]=3 1022 B8R0.1 CCOCC(=O)NNC 22a_100016993582_100000211967 [0,1,0,0,0,0|2,0,0]=3 1023 B8R0.1 CCOCC(=O)OCC 34a_100121572206_100000188475 [0,1,0,0,0,0|0,0,0]=1 1024 B8R0.1 CCOCC(C)CCN 34a_106354213184_100000210202 [0,1,0,0,0,0|2,0,1]=4 1025 B8R0.1 CCOCC(C)OCC 34a_100000718985_100000210202 [0,1,0,0,0,0|1,0,1]=3 1026 B8R0.1 CCOCC(C)OCC 7a_100000718985_100000210202 [0,1,0,0,0,0|1,0,1]=3 1027 B8R0.1 CCOCC(C)OCF 34a_100000718985_100015361967 [0,1,0,0,0,0|2,0,1]=4 1028 B8R0.1 CCOCC(C)OCF 7a_100000718985_100015361967 [0,1,0,0,0,0|2,0,1]=4 1029 B8R0.1 CCOCC(N)COC 34a_100000724102_100000210202 [0,1,0,0,0,0|2,0,1]=4 1030 B8R0.1 CCOCC(O)CNC 2230a_102515437182_200000210301 [0,1,0,0,0,0|1,0,2]=4 1031 B8R0.1 CCOCC(O)CNC 34a_102515437182_200000210301 [0,1,0,0,0,0|1,0,2]=4 1032 B8R0.1 CCOCC(O)CN[13CH3] 2230a_102515437182_200025704644 [0,1,0,0,0,0|1,0,2]=4 1033 B8R0.1 CCOCC(O)CN[13CH3] 34a_102515437182_200025704644 [0,1,0,0,0,0|1,0,2]=4 1034 B8R0.1 CCOCC(O)COC 34a_100121572206_100011215053 [0,1,0,0,0,0|1,0,2]=4 1035 B8R0.1 CCOCN(C)CCO 269982a_100000210263_100000739092 [0,1,0,0,0,0|3,0,0]=4 1036 B8R0.1 CCSCC(=O)CC#N 1458a_100000230394_100011214920 [0,1,0,0,0,0|1,1,1]=4 1037 B8R0.1 CCSCC(=O)CCF 1458a_100000230394_100011217306 [0,1,0,0,0,0|1,1,0]=3 1038 B8R0.1 CCSCC(=O)CCO 1458a_100000230394_100000211926 [0,1,0,0,0,0|1,1,0]=3 1039 B8R0.1 CCSCC(=O)NCO 62a_100000185155_100000210202 [0,1,0,0,0,0|2,0,0]=3 1040 B8R0.1 CCSCC(=O)NCO 62a_100000210202_100000185155 [0,1,0,0,0,0|2,0,0]=3 1041 B8R0.1 CCSCC(=O)NNC 22a_100016993582_100000230394 [0,1,0,0,0,0|2,0,0]=3 1042 B8R0.1 CNCC(=O)NCC#N 2230a_106832991635_100000736037 [0,1,0,0,0,0|2,0,1]=4 1043 B8R0.1 CNCC(=O)NCC#N 7a_106832991635_100000736037 [0,1,0,0,0,0|2,0,1]=4 1044 B8R0.1 CNCC(=O)NCCF 2230a_100000725713_200000210301 [0,1,0,0,0,0|2,0,0]=3 1045 B8R0.1 CNNC(=O)CCC#N 22a_100016993582_100011934036 [0,1,0,0,0,0|2,0,1]=4 1046 B8R0.1 CNNC(=O)CCOC 22a_100016993582_100000749529 [0,1,0,0,0,0|2,0,0]=3 1047 B8R0.1 CNNC(=O)CCSC 22a_100016993582_100000174002 [0,1,0,0,0,0|2,0,0]=3 1048 B8R0.1 CNNC(=O)NCCF 273464a_100000724931_100016993582 [0,1,0,0,0,0|3,0,0]=4 1049 B8R0.1 CNNC(=O)NCCF 512a_100016993582_100000724931 [0,1,0,0,0,0|3,0,0]=4 1050 B8R0.1 CNNC(=O)NCCO 273464a_100000210304_100016993582 [0,1,0,0,0,0|3,0,0]=4 1051 B8R0.1 CNNC(=O)NCCO 512a_100016993582_100000210304 [0,1,0,0,0,0|3,0,0]=4 1052 B8R0.1 COC=CC(=O)CCF 1458a_100016268678_100011217306 [0,1,0,0,0,0|2,0,1]=4 1053 B8R0.1 COC=CC(=O)CCO 1458a_100016268678_100000211926 [0,1,0,0,0,0|2,0,1]=4 1054 B8R0.1 COCC(=O)CCC#N 1458a_100000210968_100011215226 [0,1,0,0,0,0|2,0,1]=4 1055 B8R0.1 COCC(=O)CCCF 1458a_100000210968_100011934791 [0,1,0,0,0,0|2,0,0]=3 1056 B8R0.1 COCC(=O)CCCO 1458a_100000210968_100011215043 [0,1,0,0,0,0|2,0,0]=3 1057 B8R0.1 COCC(=O)CCSC 1458a_100000210968_100000751147 [0,1,0,0,0,0|2,0,0]=3 1058 B8R0.1 COCC(=O)NCC#N 1626a_100000734998_100000210968 [0,1,0,0,0,0|2,0,1]=4 1059 B8R0.1 COCC(=O)NCC#N 527a_100000734998_100000210968 [0,1,0,0,0,0|2,0,1]=4 1060 B8R0.1 COCC(=O)NCCF 11a_100000724931_100000210968 [0,1,0,0,0,0|2,0,0]=3 1061 B8R0.1 COCC(=O)NCCF 1626a_100000724931_100000210968 [0,1,0,0,0,0|2,0,0]=3 1062 B8R0.1 COCC(=O)NCCF 240690a_100000724931_100000210968 [0,1,0,0,0,0|2,0,0]=3 1063 B8R0.1 COCC(=O)NCCF 527a_100000724931_100000210968 [0,1,0,0,0,0|2,0,0]=3 1064 B8R0.1 COCC(=O)NCCO 240690a_100000210304_100000210968 [0,1,0,0,0,0|2,0,0]=3 1065 B8R0.1 COCC(=O)NCCO 527a_100000210304_100000210968 [0,1,0,0,0,0|2,0,0]=3 1066 B8R0.1 COCC(C)OCCBr 34a_100000211926_100000765312 [0,1,0,0,0,0|2,0,1]=4 1067 B8R0.1 COCC(C)OCCN 34a_100000210304_100000765312 [0,1,0,0,0,0|2,0,1]=4 1068 B8R0.1 COCCC(=O)C=CBr 1458a_100016273825_100000233755 [0,1,0,0,0,0|2,0,1]=4 1069 B8R0.1 COCCC(=O)C=CCl 1458a_200016279998_100000233755 [0,1,0,0,0,0|2,0,1]=4 1070 B8R0.1 COCCC(=O)C=CI 1458a_100016256311_100000233755 [0,1,0,0,0,0|2,0,1]=4 1071 B8R0.1 COCCC(=O)CC#N 1458a_100000749529_100011214920 [0,1,0,0,0,0|2,0,1]=4 1072 B8R0.1 COCCC(=O)CC#N 1458a_100051588842_100000233755 [0,1,0,0,0,0|2,0,1]=4 1073 B8R0.1 COCCC(=O)CCF 1458a_100000749529_100011217306 [0,1,0,0,0,0|2,0,0]=3 1074 B8R0.1 COCCC(=O)CCO 1458a_100000749529_100000211926 [0,1,0,0,0,0|2,0,0]=3 1075 B8R0.1 COCCC(=O)CCO 1458a_100011216618_100000233755 [0,1,0,0,0,0|2,0,0]=3 1076 B8R0.1 COCCC(=O)COC 1458a_100000210968_100000233755 [0,1,0,0,0,0|2,0,0]=3 1077 B8R0.1 COCCC(=O)CSC 1458a_100000184570_100000233755 [0,1,0,0,0,0|2,0,0]=3 1078 B8R0.1 COCO[C@H](C)COC 34a_100016172286_200000210301 [0,1,0,0,0,0|2,0,1]=4 1079 B8R0.1 COCO[C@H](C)COC 7a_100016172286_200000210301 [0,1,0,0,0,0|2,0,1]=4 1080 B8R0.1 COCO[C@H](C)CO[13CH3] 34a_100016172286_200025704644 [0,1,0,0,0,0|2,0,1]=4 1081 B8R0.1 COCO[C@H](C)CO[13CH3] 7a_100016172286_200025704644 [0,1,0,0,0,0|2,0,1]=4 1082 B8R0.1 COC[C@@H](C)OCCF 34a_100011934205_100011217306 [0,1,0,0,0,0|2,0,1]=4 1083 B8R0.1 COC[C@@H](C)OCCO 34a_100011934205_100000211926 [0,1,0,0,0,0|2,0,1]=4 1084 B8R0.1 COC[C@@H](C)OCSC 34a_100011934205_100011218213 [0,1,0,0,0,0|2,0,1]=4 1085 B8R0.1 CSCC(=O)CCC#N 1458a_100000184570_100011215226 [0,1,0,0,0,0|2,0,1]=4 1086 B8R0.1 CSCC(=O)CCCF 1458a_100000184570_100011934791 [0,1,0,0,0,0|2,0,0]=3 1087 B8R0.1 CSCC(=O)CCCO 1458a_100000184570_100011215043 [0,1,0,0,0,0|2,0,0]=3 1088 B8R0.1 CSCC(=O)NCC#N 1626a_100000734998_100000184570 [0,1,0,0,0,0|2,0,1]=4 1089 B8R0.1 CSCC(=O)NCC#N 527a_100000734998_100000184570 [0,1,0,0,0,0|2,0,1]=4 1090 B8R0.1 CSCC(=O)NCC#N 62a_100000736037_200000210301 [0,1,0,0,0,0|2,0,1]=4 1091 B8R0.1 CSCC(=O)NCC#N 62a_200000210301_100000736037 [0,1,0,0,0,0|2,0,1]=4 1092 B8R0.1 CSCC(=O)NCCF 11a_100000724931_100000184570 [0,1,0,0,0,0|2,0,0]=3 1093 B8R0.1 CSCC(=O)NCCF 1626a_100000724931_100000184570 [0,1,0,0,0,0|2,0,0]=3 1094 B8R0.1 CSCC(=O)NCCF 240690a_100000724931_100000184570 [0,1,0,0,0,0|2,0,0]=3 1095 B8R0.1 CSCC(=O)NCCF 527a_100000724931_100000184570 [0,1,0,0,0,0|2,0,0]=3 1096 B8R0.1 CSCC(=O)NCCO 240690a_100000210304_100000184570 [0,1,0,0,0,0|2,0,0]=3 1097 B8R0.1 CSCC(=O)NCCO 527a_100000210304_100000184570 [0,1,0,0,0,0|2,0,0]=3 1098 B8R0.1 CSCCC(=O)C=CBr 1458a_100016273825_100000751147 [0,1,0,0,0,0|2,0,1]=4 1099 B8R0.1 CSCCC(=O)C=CCl 1458a_200016279998_100000751147 [0,1,0,0,0,0|2,0,1]=4 1100 B8R0.1 CSCCC(=O)C=CI 1458a_100016256311_100000751147 [0,1,0,0,0,0|2,0,1]=4 1101 B8R0.1 CSCCC(=O)CC#N 1458a_100000174002_100011214920 [0,1,0,0,0,0|2,0,1]=4 1102 B8R0.1 CSCCC(=O)CC#N 1458a_100051588842_100000751147 [0,1,0,0,0,0|2,0,1]=4 1103 B8R0.1 CSCCC(=O)CCF 1458a_100000174002_100011217306 [0,1,0,0,0,0|2,0,0]=3 1104 B8R0.1 CSCCC(=O)CCO 1458a_100000174002_100000211926 [0,1,0,0,0,0|2,0,0]=3 1105 B8R0.1 CSCCC(=O)CCO 1458a_100011216618_100000751147 [0,1,0,0,0,0|2,0,0]=3 1106 B8R0.1 CSCCC(=O)CSC 1458a_100000184570_100000751147 [0,1,0,0,0,0|2,0,0]=3 1107 B8R0.1 CSCOC(C)CCBr 34a_100012276601_100011218213 [0,1,0,0,0,0|2,0,1]=4 1108 B8R0.1 N#CCC(=O)CCCF 1458a_100051588842_100011934791 [0,1,0,0,0,0|2,0,1]=4 1109 B8R0.1 N#CCC(=O)CCCO 1458a_100051588842_100011215043 [0,1,0,0,0,0|2,0,1]=4 1110 B8R0.1 N#CCC(=O)NCCF 1626a_100000724931_100051588842 [0,1,0,0,0,0|2,0,1]=4 1111 B8R0.1 N#CCC(=O)NCCF 240690a_100000724931_100051588842 [0,1,0,0,0,0|2,0,1]=4 1112 B8R0.1 N#CCC(=O)NCCO 240690a_100000210304_100051588842 [0,1,0,0,0,0|2,0,1]=4 1113 B8R0.1 N#CCCC(=O)CCF 1458a_100011934036_100011217306 [0,1,0,0,0,0|2,0,1]=4 1114 B8R0.1 N#CCCC(=O)CCO 1458a_100011216618_100011215226 [0,1,0,0,0,0|2,0,1]=4 1115 B8R0.1 N#CCCC(=O)CCO 1458a_100011934036_100000211926 [0,1,0,0,0,0|2,0,1]=4 1116 B8R0.1 O=C(C#CCO)CCF 1458a_100000049017_100011217306 [0,1,0,0,0,0|2,0,1]=4 1117 B8R0.1 O=C(C#CCO)CCO 1458a_100000049017_100000211926 [0,1,0,0,0,0|2,0,1]=4 1118 B8R0.1 O=C(C=CBr)CCCF 1458a_100016273825_100011934791 [0,1,0,0,0,0|2,0,1]=4 1119 B8R0.1 O=C(C=CBr)CCCO 1458a_100016273825_100011215043 [0,1,0,0,0,0|2,0,1]=4 1120 B8R0.1 O=C(C=CCl)CCCF 1458a_200016279998_100011934791 [0,1,0,0,0,0|2,0,1]=4 1121 B8R0.1 O=C(C=CCl)CCCO 1458a_200016279998_100011215043 [0,1,0,0,0,0|2,0,1]=4 1122 B8R0.1 O=C(C=CI)CCCF 1458a_100016256311_100011934791 [0,1,0,0,0,0|2,0,1]=4 1123 B8R0.1 O=C(C=CI)CCCO 1458a_100016256311_100011215043 [0,1,0,0,0,0|2,0,1]=4 1124 B8R0.1 O=C(CCO)CCCF 1458a_100011216618_100011934791 [0,1,0,0,0,0|2,0,0]=3 1125 B8R0.1 O=C(CCO)CCCO 1458a_100011216618_100011215043 [0,1,0,0,0,0|2,0,0]=3 1126 B8R0.1 O=C(CCO)NCCF 240690a_100000724931_100011216618 [0,1,0,0,0,0|2,0,0]=3 1127 B8R0.1 O=C(CCO)NCCO 240690a_100000210304_100011216618 [0,1,0,0,0,0|2,0,0]=3 1128 B8R0.1 O=C(CSCF)NCO 62a_100000185155_100015361967 [0,1,0,0,0,0|3,0,0]=4 1129 B8R0.1 O=C(CSCF)NCO 62a_100015361967_100000185155 [0,1,0,0,0,0|3,0,0]=4 1130 B8R0.1 [13CH3]NCC(=O)NCCF 2230a_100000725713_200025704644 [0,1,0,0,0,0|2,0,0]=3 1131 B8R0.1 [13CH3]SCC(=O)NCC#N 62a_100000736037_200025704644 [0,1,0,0,0,0|2,0,1]=4 1132 B8R0.1 [13CH3]SCC(=O)NCC#N 62a_200025704644_100000736037 [0,1,0,0,0,0|2,0,1]=4 1133 B8R0.3 C#CC(C)C(=O)CCC 1458a_100000211992_200000035995 [0,1,0,0,0,0|1,0,2]=4 1134 B8R0.3 C#CCC(=O)C(C)CC 1458a_100011192722_100000184674 [0,1,0,0,0,0|1,0,2]=4 1135 B8R0.3 C#CCC(=O)C(C)CC 1458a_100011220946_100000758301 [0,1,0,0,0,0|1,0,2]=4 1136 B8R0.3 C#CCC(=O)C(O)CC 1458a_100011196387_100000184674 [0,1,0,0,0,0|1,0,2]=4 1137 B8R0.3 C#CCC(=O)N(C)CC 1626a_100000225621_100011220946 [0,1,0,0,0,0|1,0,2]=4 1138 B8R0.3 C#CCC(=O)N(C)CC 527a_100000225621_100011220946 [0,1,0,0,0,0|1,0,2]=4 1139 B8R0.3 C/C=C(\C)/C(=O)CCC 1458a_100020587367_100000210303 [0,1,0,0,0,0|1,0,1]=3 1140 B8R0.3 C/C=C(\C)/C(=O)CCF 1458a_100020587367_100011217306 [0,1,0,0,0,0|2,0,1]=4 1141 B8R0.3 C/C=C(\C)/C(=O)CCO 1458a_100020587367_100000211926 [0,1,0,0,0,0|2,0,1]=4 1142 B8R0.3 C/C=C(\C)/C(=O)NCC 11a_100015525214_100020587367 [0,1,0,0,0,0|1,0,2]=4 1143 B8R0.3 C=CC(C)C(=O)CCC 1458a_100011216780_100000210303 [0,1,0,0,0,0|1,0,2]=4 1144 B8R0.3 C=CC(C)C(=O)NCC 11a_100015525214_100011216780 [0,1,0,0,0,0|1,0,2]=4 1145 B8R0.3 C=CC(C)C(=O)NCC 240690a_100015525214_100011216780 [0,1,0,0,0,0|1,0,2]=4 1146 B8R0.3 C=CC(C)C(=O)NCC 527a_100015525214_100011216780 [0,1,0,0,0,0|1,0,2]=4 1147 B8R0.3 C=CCC(=O)C(C)CC 1458a_100000210193_100000758301 [0,1,0,0,0,0|1,0,2]=4 1148 B8R0.3 C=CCC(=O)C(C)CC 1458a_100011192722_100000210623 [0,1,0,0,0,0|1,0,2]=4 1149 B8R0.3 C=CCC(=O)C(O)CC 1458a_100011196387_100000210623 [0,1,0,0,0,0|1,0,2]=4 1150 B8R0.3 C=CCC(=O)N(C)CC 11a_100000225621_100000210193 [0,1,0,0,0,0|1,0,2]=4 1151 B8R0.3 C=CCC(=O)N(C)CC 1626a_100000225621_100000210193 [0,1,0,0,0,0|1,0,2]=4 1152 B8R0.3 C=CCC(=O)N(C)CC 240690a_100000225621_100000210193 [0,1,0,0,0,0|1,0,2]=4 1153 B8R0.3 C=CCC(=O)N(C)CC 527a_100000225621_100000210193 [0,1,0,0,0,0|1,0,2]=4 1154 B8R0.3 CC#CC(=O)C(C)CC 1458a_100000763181_100000758301 [0,1,0,0,0,0|1,0,1]=3 1155 B8R0.3 CC/C=C(\C)/C(=O)CC 1458a_100016988807_100000210202 [0,1,0,0,0,0|2,0,1]=4 1156 B8R0.3 CC=CC(=O)C(C)CC 1458a_100000210699_100000758301 [0,1,0,0,0,0|1,0,1]=3 1157 B8R0.3 CC=CC(=O)N(C)CC 11a_100000225621_100000210699 [0,1,0,0,0,0|1,0,2]=4 1158 B8R0.3 CC=CC(=O)N(C)CC 1626a_100000225621_100000210699 [0,1,0,0,0,0|1,0,2]=4 1159 B8R0.3 CC=CC(=O)N(C)CC 240690a_100000225621_100000210699 [0,1,0,0,0,0|1,0,2]=4 1160 B8R0.3 CCC(C)C(=O)C=CBr 1458a_100016273825_100000758301 [0,1,0,0,0,0|2,0,1]=4 1161 B8R0.3 CCC(C)C(=O)C=CCl 1458a_200016279998_100000758301 [0,1,0,0,0,0|2,0,1]=4 1162 B8R0.3 CCC(C)C(=O)C=CI 1458a_100016256311_100000758301 [0,1,0,0,0,0|2,0,1]=4 1163 B8R0.3 CCC(C)C(=O)CC#N 1458a_100011192722_100011214920 [0,1,0,0,0,0|2,0,1]=4 1164 B8R0.3 CCC(C)C(=O)CC#N 1458a_100051588842_100000758301 [0,1,0,0,0,0|2,0,1]=4 1165 B8R0.3 CCC(C)C(=O)CCF 1458a_100011192722_100011217306 [0,1,0,0,0,0|2,0,0]=3 1166 B8R0.3 CCC(C)C(=O)CCO 1458a_100011192722_100000211926 [0,1,0,0,0,0|2,0,0]=3 1167 B8R0.3 CCC(C)C(=O)CCO 1458a_100011216618_100000758301 [0,1,0,0,0,0|2,0,0]=3 1168 B8R0.3 CCC(C)C(=O)COC 1458a_100000210968_100000758301 [0,1,0,0,0,0|2,0,0]=3 1169 B8R0.3 CCC(C)C(=O)CSC 1458a_100000184570_100000758301 [0,1,0,0,0,0|2,0,0]=3 1170 B8R0.3 CCC(C)C(=O)NNC 22a_100016993582_100011192722 [0,1,0,0,0,0|2,0,0]=3 1171 B8R0.3 CCC(C)C(C)OCF 7a_100011215189_100015361967 [0,1,0,0,0,0|2,0,1]=4 1172 B8R0.3 CCC(O)C(=O)CC#N 1458a_100011196387_100011214920 [0,1,0,0,0,0|2,0,1]=4 1173 B8R0.3 CCC(O)C(=O)CCF 1458a_100011196387_100011217306 [0,1,0,0,0,0|2,0,0]=3 1174 B8R0.3 CCC(O)C(=O)CCO 1458a_100011196387_100000211926 [0,1,0,0,0,0|2,0,0]=3 1175 B8R0.3 CCC(O)C(=O)NNC 22a_100016993582_100011196387 [0,1,0,0,0,0|2,0,0]=3 1176 B8R0.3 CCCC(=O)C(=O)NC 1458a_100011218921_100000210303 [0,1,0,0,0,0|2,0,0]=3 1177 B8R0.3 CCCC(=O)C(C)C#N 1458a_100000211992_100000703298 [0,1,0,0,0,0|2,0,1]=4 1178 B8R0.3 CCCC(=O)C(C)C#N 1458a_100000753662_100000210303 [0,1,0,0,0,0|2,0,1]=4 1179 B8R0.3 CCCC(=O)C(C)CC 1458a_100000211992_100000758301 [0,1,0,0,0,0|1,0,0]=2 1180 B8R0.3 CCCC(=O)C(C)CC 1458a_100011192722_100000210303 [0,1,0,0,0,0|1,0,0]=2 1181 B8R0.3 CCCC(=O)C(C)OC 1458a_100000743197_100000210303 [0,1,0,0,0,0|2,0,0]=3 1182 B8R0.3 CCCC(=O)C(C)SC 1458a_100000149566_100000210303 [0,1,0,0,0,0|2,0,0]=3 1183 B8R0.3 CCCC(=O)C(O)CC 1458a_100011196387_100000210303 [0,1,0,0,0,0|1,0,0]=2 1184 B8R0.3 CCCC(=O)C(O)CO 1458a_100011215603_100000210303 [0,1,0,0,0,0|2,0,0]=3 1185 B8R0.3 CCCC(=O)N(C)CC 11a_100000225621_100000211992 [0,1,0,0,0,0|1,0,0]=2 1186 B8R0.3 CCCC(=O)N(C)CC 1626a_100000225621_100000211992 [0,1,0,0,0,0|1,0,0]=2 1187 B8R0.3 CCCC(=O)N(C)CC 240690a_100000225621_100000211992 [0,1,0,0,0,0|1,0,0]=2 1188 B8R0.3 CCCC(=O)N(C)CC 527a_100000225621_100000211992 [0,1,0,0,0,0|1,0,0]=2 1189 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210414_100000766640 [0,1,0,0,0,0|2,0,1]=4 1190 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210906_100000210202 [0,1,0,0,0,0|2,0,1]=4 1191 B8R0.3 CCCC(C)N(C)CC 2230a_100000225621_100000766640 [0,1,0,0,0,0|2,0,1]=4 1192 B8R0.3 CCCC(C)N(C)CC 269982a_100000225621_100000766640 [0,1,0,0,0,0|2,0,1]=4 1193 B8R0.3 CCCN(C)C(=O)CC 11a_100000747261_100000210414 [0,1,0,0,0,0|3,0,0]=4 1194 B8R0.3 CCCN(C)C(=O)CC 1626a_100000747261_100000210414 [0,1,0,0,0,0|3,0,0]=4 1195 B8R0.3 CCCN(C)C(=O)CC 240690a_100000747261_100000210414 [0,1,0,0,0,0|3,0,0]=4 1196 B8R0.3 CCCN(C)C(=O)CC 527a_100000747261_100000210414 [0,1,0,0,0,0|3,0,0]=4 1197 B8R0.3 CCCN(C)C(C)CC 2230a_100000741768_100000210303 [0,1,0,0,0,0|3,0,0]=4 1198 B8R0.3 CCCN(C)C(C)CC 2230a_100000747261_100000758301 [0,1,0,0,0,0|3,0,0]=4 1199 B8R0.3 CCCN(C)C(C)CC 2230a_200011216551_200000210301 [0,1,0,0,0,0|3,0,0]=4 1200 B8R0.3 CCCN(C)C(C)CC 269982a_100000741768_100000210303 [0,1,0,0,0,0|3,0,0]=4 1201 B8R0.3 CCCN(C)C(C)CC 269982a_100000747261_100000758301 [0,1,0,0,0,0|3,0,0]=4 1202 B8R0.3 CCCN(C)C(C)CC 269982a_200011216551_200000210301 [0,1,0,0,0,0|3,0,0]=4 1203 B8R0.3 CCCN([13CH3])C(C)CC 2230a_200011216551_200025704644 [0,1,0,0,0,0|3,0,0]=4 1204 B8R0.3 CCCN([13CH3])C(C)CC 269982a_200011216551_200025704644 [0,1,0,0,0,0|3,0,0]=4 1205 B8R0.3 CCC[C@H](O)C(=O)CC 1458a_100009822183_100000210202 [0,1,0,0,0,0|1,0,2]=4 1206 B8R0.3 CCN(C)C(=O)CC#N 1626a_100000225621_100051588842 [0,1,0,0,0,0|2,0,1]=4 1207 B8R0.3 CCN(C)C(=O)CC#N 240690a_100000225621_100051588842 [0,1,0,0,0,0|2,0,1]=4 1208 B8R0.3 CCN(C)C(=O)CCO 240690a_100000225621_100011216618 [0,1,0,0,0,0|2,0,0]=3 1209 B8R0.3 CCN(C)C(=O)CNC 2230a_106832991635_100000738999 [0,1,0,0,0,0|2,0,0]=3 1210 B8R0.3 CCN(C)C(=O)CNC 34a_100102657272_100000738999 [0,1,0,0,0,0|2,0,0]=3 1211 B8R0.3 CCN(C)C(=O)CNC 7a_106832991635_100000738999 [0,1,0,0,0,0|2,0,0]=3 1212 B8R0.3 CCN(C)C(=O)COC 11a_100000225621_100000210968 [0,1,0,0,0,0|2,0,0]=3 1213 B8R0.3 CCN(C)C(=O)COC 1626a_100000225621_100000210968 [0,1,0,0,0,0|2,0,0]=3 1214 B8R0.3 CCN(C)C(=O)COC 240690a_100000225621_100000210968 [0,1,0,0,0,0|2,0,0]=3 1215 B8R0.3 CCN(C)C(=O)COC 34a_100138415774_100000738999 [0,1,0,0,0,0|2,0,0]=3 1216 B8R0.3 CCN(C)C(=O)COC 527a_100000225621_100000210968 [0,1,0,0,0,0|2,0,0]=3 1217 B8R0.3 CCN(C)C(=O)CSC 11a_100000225621_100000184570 [0,1,0,0,0,0|2,0,0]=3 1218 B8R0.3 CCN(C)C(=O)CSC 1626a_100000225621_100000184570 [0,1,0,0,0,0|2,0,0]=3 1219 B8R0.3 CCN(C)C(=O)CSC 240690a_100000225621_100000184570 [0,1,0,0,0,0|2,0,0]=3 1220 B8R0.3 CCN(C)C(=O)CSC 527a_100000225621_100000184570 [0,1,0,0,0,0|2,0,0]=3 1221 B8R0.3 CCN(C)C(=O)CSC 62a_100000738999_200000210301 [0,1,0,0,0,0|2,0,0]=3 1222 B8R0.3 CCN(C)C(=O)CSC 62a_200000210301_100000738999 [0,1,0,0,0,0|2,0,0]=3 1223 B8R0.3 CCN(C)C(=O)CS[13CH3] 62a_100000738999_200025704644 [0,1,0,0,0,0|2,0,0]=3 1224 B8R0.3 CCN(C)C(=O)CS[13CH3] 62a_200025704644_100000738999 [0,1,0,0,0,0|2,0,0]=3 1225 B8R0.3 CCNC(=O)C(=O)CC 1458a_200011297158_100000210202 [0,1,0,0,0,0|1,0,1]=3 1226 B8R0.3 CCNC(=O)C(=O)CF 1458a_200011297158_100015361967 [0,1,0,0,0,0|2,0,1]=4 1227 B8R0.3 CCNC(=O)C(=O)NC 1626a_100102657272_200011297158 [0,1,0,0,0,0|2,0,1]=4 1228 B8R0.3 CCNC(=O)C(=O)NC 240690a_100015525214_100011218921 [0,1,0,0,0,0|2,0,1]=4 1229 B8R0.3 CCNC(=O)C(=O)NC 240690a_100102657272_200011297158 [0,1,0,0,0,0|2,0,1]=4 1230 B8R0.3 CCNC(=O)C(=O)NC 527a_100015525214_100011218921 [0,1,0,0,0,0|2,0,1]=4 1231 B8R0.3 CCNC(=O)C(=O)NC 527a_100102657272_200011297158 [0,1,0,0,0,0|2,0,1]=4 1232 B8R0.3 CCNC(=O)C(=O)OC 11a_100015525214_100000024059 [0,1,0,0,0,0|2,0,1]=4 1233 B8R0.3 CCNC(=O)C(=O)OC 240690a_100015525214_100000024059 [0,1,0,0,0,0|2,0,1]=4 1234 B8R0.3 CCNC(=O)C(=O)OC 527a_100015525214_100000024059 [0,1,0,0,0,0|2,0,1]=4 1235 B8R0.3 CCNC(=O)C(C)C#N 11a_100015525214_100000753662 [0,1,0,0,0,0|2,0,1]=4 1236 B8R0.3 CCNC(=O)C(C)C#N 240690a_100015525214_100000753662 [0,1,0,0,0,0|2,0,1]=4 1237 B8R0.3 CCNC(=O)C(C)C#N 527a_100015525214_100000753662 [0,1,0,0,0,0|2,0,1]=4 1238 B8R0.3 CCNC(=O)C(C)CC 11a_100015525214_100011192722 [0,1,0,0,0,0|1,0,0]=2 1239 B8R0.3 CCNC(=O)C(C)CC 240690a_100015525214_100011192722 [0,1,0,0,0,0|1,0,0]=2 1240 B8R0.3 CCNC(=O)C(C)CC 527a_100015525214_100011192722 [0,1,0,0,0,0|1,0,0]=2 1241 B8R0.3 CCNC(=O)C(C)NC 2230a_100000736553_200000210301 [0,1,0,0,0,0|2,0,0]=3 1242 B8R0.3 CCNC(=O)C(C)NC 2230a_106832991635_100000230173 [0,1,0,0,0,0|2,0,0]=3 1243 B8R0.3 CCNC(=O)C(C)NC 34a_100000736553_200000210301 [0,1,0,0,0,0|2,0,0]=3 1244 B8R0.3 CCNC(=O)C(C)NC 34a_100102657272_100000230173 [0,1,0,0,0,0|2,0,0]=3 1245 B8R0.3 CCNC(=O)C(C)NC 7a_106832991635_100000230173 [0,1,0,0,0,0|2,0,0]=3 1246 B8R0.3 CCNC(=O)C(C)N[13CH3] 2230a_100000736553_200025704644 [0,1,0,0,0,0|2,0,0]=3 1247 B8R0.3 CCNC(=O)C(C)N[13CH3] 34a_100000736553_200025704644 [0,1,0,0,0,0|2,0,0]=3 1248 B8R0.3 CCNC(=O)C(C)OC 11a_100015525214_100000743197 [0,1,0,0,0,0|2,0,0]=3 1249 B8R0.3 CCNC(=O)C(C)OC 240690a_100015525214_100000743197 [0,1,0,0,0,0|2,0,0]=3 1250 B8R0.3 CCNC(=O)C(C)OC 34a_100138415774_100000230173 [0,1,0,0,0,0|2,0,0]=3 1251 B8R0.3 CCNC(=O)C(C)OC 527a_100015525214_100000743197 [0,1,0,0,0,0|2,0,0]=3 1252 B8R0.3 CCNC(=O)C(C)SC 11a_100015525214_100000149566 [0,1,0,0,0,0|2,0,0]=3 1253 B8R0.3 CCNC(=O)C(C)SC 240690a_100015525214_100000149566 [0,1,0,0,0,0|2,0,0]=3 1254 B8R0.3 CCNC(=O)C(C)SC 527a_100015525214_100000149566 [0,1,0,0,0,0|2,0,0]=3 1255 B8R0.3 CCNC(=O)C(C)SC 62a_100000230173_200000210301 [0,1,0,0,0,0|2,0,0]=3 1256 B8R0.3 CCNC(=O)C(C)SC 62a_200000210301_100000230173 [0,1,0,0,0,0|2,0,0]=3 1257 B8R0.3 CCNC(=O)C(C)S[13CH3] 62a_100000230173_200025704644 [0,1,0,0,0,0|2,0,0]=3 1258 B8R0.3 CCNC(=O)C(C)S[13CH3] 62a_200025704644_100000230173 [0,1,0,0,0,0|2,0,0]=3 1259 B8R0.3 CCNC(=O)C(O)CC 240690a_100015525214_100011196387 [0,1,0,0,0,0|1,0,0]=2 1260 B8R0.3 CCNC(=O)C(O)CO 240690a_100015525214_100011215603 [0,1,0,0,0,0|2,0,0]=3 1261 B8R0.3 CCNC(=O)N(C)CC 2708a_100015525214_100000225621 [0,1,0,0,0,0|2,0,0]=3 1262 B8R0.3 CCNC(=O)N(C)CC 273464a_100015525214_100000225621 [0,1,0,0,0,0|2,0,0]=3 1263 B8R0.3 CCNC(C)C(C)CC 269862a_100015525214_100000210599 [0,1,0,0,0,0|2,0,1]=4 1264 B8R0.3 CCNC(C)C(C)CC 270004a_100015525214_100000210599 [0,1,0,0,0,0|2,0,1]=4 1265 B8R0.3 CCOC(=O)C(=O)NC 11a_106832991635_100014798877 [0,1,0,0,0,0|1,0,1]=3 1266 B8R0.3 CCOC(=O)C(=O)NC 1626a_100102657272_100014798877 [0,1,0,0,0,0|1,0,1]=3 1267 B8R0.3 CCOC(=O)C(=O)NC 240690a_100102657272_100014798877 [0,1,0,0,0,0|1,0,1]=3 1268 B8R0.3 CCOC(=O)C(C)NC 2230a_106832991635_100011215307 [0,1,0,0,0,0|1,0,0]=2 1269 B8R0.3 CCOC(=O)C(C)NC 34a_100102657272_100011216346 [0,1,0,0,0,0|1,0,0]=2 1270 B8R0.3 CCOC(=O)C(C)NC 7a_106832991635_100011216346 [0,1,0,0,0,0|1,0,0]=2 1271 B8R0.3 CCOC(=O)C(C)OC 34a_100138415774_100011216346 [0,1,0,0,0,0|1,0,0]=2 1272 B8R0.3 CCOC(=O)C(C)SC 62a_100011216346_200000210301 [0,1,0,0,0,0|1,0,0]=2 1273 B8R0.3 CCOC(=O)C(C)SC 62a_200000210301_100011216346 [0,1,0,0,0,0|1,0,0]=2 1274 B8R0.3 CCOC(=O)C(C)S[13CH3] 62a_100011216346_200025704644 [0,1,0,0,0,0|1,0,0]=2 1275 B8R0.3 CCOC(=O)C(C)S[13CH3] 62a_200025704644_100011216346 [0,1,0,0,0,0|1,0,0]=2 1276 B8R0.3 CCOC(=O)C(F)NC 2230a_106832991635_100000760018 [0,1,0,0,0,0|1,0,0]=2 1277 B8R0.3 CCOC(=O)C(F)NC 34a_100102657272_100000760018 [0,1,0,0,0,0|1,0,0]=2 1278 B8R0.3 CCOC(=O)C(F)NC 7a_106832991635_100000040065 [0,1,0,0,0,0|1,0,0]=2 1279 B8R0.3 CCOC(=O)C(F)OC 34a_100138415774_100000760018 [0,1,0,0,0,0|1,0,0]=2 1280 B8R0.3 CCOC(=O)C(F)SC 62a_100000760018_200000210301 [0,1,0,0,0,0|1,0,0]=2 1281 B8R0.3 CCOC(=O)C(F)SC 62a_200000210301_100000760018 [0,1,0,0,0,0|1,0,0]=2 1282 B8R0.3 CCOC(=O)C(F)S[13CH3] 62a_100000760018_200025704644 [0,1,0,0,0,0|1,0,0]=2 1283 B8R0.3 CCOC(=O)C(F)S[13CH3] 62a_200025704644_100000760018 [0,1,0,0,0,0|1,0,0]=2 1284 B8R0.3 CCOC(=O)[C@H](C)OC 7a_100000751109_200000210301 [0,1,0,0,0,0|1,0,0]=2 1285 B8R0.3 CCOC(=O)[C@H](C)O[13CH3] 7a_100000751109_200025704644 [0,1,0,0,0,0|1,0,0]=2 1286 B8R0.3 CCOC(C)C(=O)CC 1458a_100000739345_100000210202 [0,1,0,0,0,0|1,0,2]=4 1287 B8R0.3 CCOC(C)C(C)CC 7a_100011215189_100000210202 [0,1,0,0,0,0|1,0,1]=3 1288 B8R0.3 CCSC(=O)[C@H](C)NC 2230a_100103168634_200000210301 [0,1,0,0,0,0|1,1,0]=3 1289 B8R0.3 CCSC(=O)[C@H](C)N[13CH3] 2230a_100103168634_200025704644 [0,1,0,0,0,0|1,1,0]=3 1290 B8R0.3 CNC(=O)C(=O)CCF 1458a_100011218921_100011217306 [0,1,0,0,0,0|3,0,0]=4 1291 B8R0.3 CNC(=O)C(=O)CCO 1458a_100011218921_100000211926 [0,1,0,0,0,0|3,0,0]=4 1292 B8R0.3 CNCC(=O)C(=O)OC 34a_100102657272_100011610305 [0,1,0,0,0,0|3,0,0]=4 1293 B8R0.3 CNCC(=O)N(C)OC 2230a_100015207273_200000210301 [0,1,0,0,0,0|3,0,0]=4 1294 B8R0.3 CNCC(=O)N(C)OC 2230a_106832991635_100000764215 [0,1,0,0,0,0|3,0,0]=4 1295 B8R0.3 CNCC(=O)N(C)OC 7a_106832991635_100000764215 [0,1,0,0,0,0|3,0,0]=4 1296 B8R0.3 CNNC(=O)C(C)OC 22a_100016993582_100000743197 [0,1,0,0,0,0|3,0,0]=4 1297 B8R0.3 CNNC(=O)C(C)SC 22a_100016993582_100000149566 [0,1,0,0,0,0|3,0,0]=4 1298 B8R0.3 CNNC(=O)C(O)CO 22a_100016993582_100011215603 [0,1,0,0,0,0|3,0,0]=4 1299 B8R0.3 COC(=O)C(=O)CSC 62a_100011610305_200000210301 [0,1,0,0,0,0|3,0,0]=4 1300 B8R0.3 COC(=O)C(=O)CSC 62a_200000210301_100011610305 [0,1,0,0,0,0|3,0,0]=4 1301 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_100011610305_200025704644 [0,1,0,0,0,0|3,0,0]=4 1302 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_200025704644_100011610305 [0,1,0,0,0,0|3,0,0]=4 1303 B8R0.3 COC(C)C(=O)CCF 1458a_100000743197_100011217306 [0,1,0,0,0,0|3,0,0]=4 1304 B8R0.3 COC(C)C(=O)CCO 1458a_100000743197_100000211926 [0,1,0,0,0,0|3,0,0]=4 1305 B8R0.3 COCC(=O)C(=O)OC 34a_100138415774_100011610305 [0,1,0,0,0,0|3,0,0]=4 1306 B8R0.3 CON(C)C(=O)CN[13CH3] 2230a_100015207273_200025704644 [0,1,0,0,0,0|3,0,0]=4 1307 B8R0.3 CON(C)C(=O)CSC 62a_100000764215_200000210301 [0,1,0,0,0,0|3,0,0]=4 1308 B8R0.3 CON(C)C(=O)CSC 62a_200000210301_100000764215 [0,1,0,0,0,0|3,0,0]=4 1309 B8R0.3 CON(C)C(=O)CS[13CH3] 62a_100000764215_200025704644 [0,1,0,0,0,0|3,0,0]=4 1310 B8R0.3 CON(C)C(=O)CS[13CH3] 62a_200025704644_100000764215 [0,1,0,0,0,0|3,0,0]=4 1311 B8R0.3 CSC(C)C(=O)CCF 1458a_100000149566_100011217306 [0,1,0,0,0,0|3,0,0]=4 1312 B8R0.3 CSC(C)C(=O)CCO 1458a_100000149566_100000211926 [0,1,0,0,0,0|3,0,0]=4 1313 B8R0.3 O=C(CCF)C(O)CO 1458a_100011215603_100011217306 [0,1,0,0,0,0|3,0,0]=4 1314 B8R0.3 O=C(CCO)C(O)CO 1458a_100011215603_100000211926 [0,1,0,0,0,0|3,0,0]=4 1315 B8R0.5 C#CCC(=O)CC(C)C 1458a_100000210554_100000184674 [0,1,0,0,0,0|1,0,2]=4 1316 B8R0.5 C#CCC(=O)CC(C)C 1458a_100011220946_100000210624 [0,1,0,0,0,0|1,0,2]=4 1317 B8R0.5 C#CCC(=O)CC(C)O 1458a_100011220946_100011218427 [0,1,0,0,0,0|1,0,2]=4 1318 B8R0.5 C#CCC(=O)C[C@@H](C)O 1458a_100011933948_100000184674 [0,1,0,0,0,0|1,0,2]=4 1319 B8R0.5 C#CCC(=O)NC(C)C 1626a_100138425928_100011220946 [0,1,0,0,0,0|1,0,2]=4 1320 B8R0.5 C#CCC(=O)NC(C)C 527a_100138425928_100011220946 [0,1,0,0,0,0|1,0,2]=4 1321 B8R0.5 C=C(C)CC(=O)C#CC 1458a_100000763181_100000748629 [0,1,0,0,0,0|1,0,2]=4 1322 B8R0.5 C=C(C)CC(=O)C=CC 1458a_100000210699_100000748629 [0,1,0,0,0,0|1,0,2]=4 1323 B8R0.5 C=C(C)CC(=O)CCC 1458a_100000211992_100000748629 [0,1,0,0,0,0|1,0,1]=3 1324 B8R0.5 C=C(C)CC(=O)CCO 1458a_100011216618_100000748629 [0,1,0,0,0,0|2,0,1]=4 1325 B8R0.5 C=C(C)CC(=O)COC 1458a_100000210968_100000748629 [0,1,0,0,0,0|2,0,1]=4 1326 B8R0.5 C=C(C)CC(=O)CSC 1458a_100000184570_100000748629 [0,1,0,0,0,0|2,0,1]=4 1327 B8R0.5 C=C(CCC)CC(=O)C 1458a_100000138376_200000210301 [0,1,0,0,0,0|2,0,1]=4 1328 B8R0.5 C=C(CCC)CC(=O)[13CH3] 1458a_100000138376_200025704644 [0,1,0,0,0,0|2,0,1]=4 1329 B8R0.5 C=C(F)CC(=O)CCC 1458a_100000211992_100009893438 [0,1,0,0,0,0|1,0,2]=4 1330 B8R0.5 C=CCC(=O)CC(C)C 1458a_100000210193_100000210624 [0,1,0,0,0,0|1,0,2]=4 1331 B8R0.5 C=CCC(=O)CC(C)C 1458a_100000210554_100000210623 [0,1,0,0,0,0|1,0,2]=4 1332 B8R0.5 C=CCC(=O)CC(C)O 1458a_100000210193_100011218427 [0,1,0,0,0,0|1,0,2]=4 1333 B8R0.5 C=CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210623 [0,1,0,0,0,0|1,0,2]=4 1334 B8R0.5 C=CCC(=O)NC(C)C 11a_100138425928_100000210193 [0,1,0,0,0,0|1,0,2]=4 1335 B8R0.5 C=CCC(=O)NC(C)C 1626a_100138425928_100000210193 [0,1,0,0,0,0|1,0,2]=4 1336 B8R0.5 C=CCC(=O)NC(C)C 240690a_100138425928_100000210193 [0,1,0,0,0,0|1,0,2]=4 1337 B8R0.5 C=CCC(=O)NC(C)C 527a_100138425928_100000210193 [0,1,0,0,0,0|1,0,2]=4 1338 B8R0.5 C=COC(=O)CC(=O)C 1458a_100000070787_100000036128 [0,1,0,0,0,0|0,0,3]=4 1339 B8R0.5 C=COC(=O)CN(C)C 2230a_100102631434_100000036128 [0,1,0,0,0,0|1,0,2]=4 1340 B8R0.5 C=COC(=O)CN(C)C 269982a_100102631434_100000036128 [0,1,0,0,0,0|1,0,2]=4 1341 B8R0.5 CC#CC(=O)CC(C)C 1458a_100000763181_100000210624 [0,1,0,0,0,0|1,0,1]=3 1342 B8R0.5 CC#CC(=O)CC(C)O 1458a_100000763181_100011218427 [0,1,0,0,0,0|1,0,1]=3 1343 B8R0.5 CC#CC(=O)CC(F)F 1458a_100000763181_100011934356 [0,1,0,0,0,0|2,0,1]=4 1344 B8R0.5 CC(=CC(=O)CCF)C 1458a_100000211388_100011217306 [0,1,0,0,0,0|2,0,1]=4 1345 B8R0.5 CC(=CC(=O)CCF)Cl 1458a_200042562850_100011217306 [0,1,0,0,0,0|2,0,1]=4 1346 B8R0.5 CC(=CC(=O)CCF)I 1458a_100025716642_100011217306 [0,1,0,0,0,0|2,0,1]=4 1347 B8R0.5 CC(=CC(=O)CCO)C 1458a_100000211388_100000211926 [0,1,0,0,0,0|2,0,1]=4 1348 B8R0.5 CC(=CC(=O)CCO)Cl 1458a_200042562850_100000211926 [0,1,0,0,0,0|2,0,1]=4 1349 B8R0.5 CC(=CC(=O)CCO)I 1458a_100025716642_100000211926 [0,1,0,0,0,0|2,0,1]=4 1350 B8R0.5 CC(=O)CC(=O)NCO 1458a_100000070787_100000185155 [0,1,0,0,0,0|2,0,1]=4 1351 B8R0.5 CC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000183797 [0,1,0,0,0,0|2,0,1]=4 1352 B8R0.5 CC(C)CC(=O)C=CBr 1458a_100016273825_100000210624 [0,1,0,0,0,0|2,0,1]=4 1353 B8R0.5 CC(C)CC(=O)C=CCl 1458a_200016279998_100000210624 [0,1,0,0,0,0|2,0,1]=4 1354 B8R0.5 CC(C)CC(=O)C=CI 1458a_100016256311_100000210624 [0,1,0,0,0,0|2,0,1]=4 1355 B8R0.5 CC(C)CC(=O)CC#N 1458a_100000210554_100011214920 [0,1,0,0,0,0|2,0,1]=4 1356 B8R0.5 CC(C)CC(=O)CC#N 1458a_100051588842_100000210624 [0,1,0,0,0,0|2,0,1]=4 1357 B8R0.5 CC(C)CC(=O)CCF 1458a_100000210554_100011217306 [0,1,0,0,0,0|2,0,0]=3 1358 B8R0.5 CC(C)CC(=O)CCO 1458a_100000210554_100000211926 [0,1,0,0,0,0|2,0,0]=3 1359 B8R0.5 CC(C)CC(=O)CCO 1458a_100011216618_100000210624 [0,1,0,0,0,0|2,0,0]=3 1360 B8R0.5 CC(C)CC(C)OCF 34a_100000211805_100015361967 [0,1,0,0,0,0|2,0,1]=4 1361 B8R0.5 CC(C)CC(C)OCF 7a_100000211805_100015361967 [0,1,0,0,0,0|2,0,1]=4 1362 B8R0.5 CC(C)NC(=O)CC#N 1626a_100138425928_100051588842 [0,1,0,0,0,0|2,0,1]=4 1363 B8R0.5 CC(C)NC(=O)CC#N 240690a_100138425928_100051588842 [0,1,0,0,0,0|2,0,1]=4 1364 B8R0.5 CC(C)NC(=O)CCO 240690a_100138425928_100011216618 [0,1,0,0,0,0|2,0,0]=3 1365 B8R0.5 CC(C)NC(=O)CN[13CH3] 2230a_100000168517_200025704644 [0,1,0,0,0,0|2,0,0]=3 1366 B8R0.5 CC(C)NC(=O)CS[13CH3] 62a_100000183996_200025704644 [0,1,0,0,0,0|2,0,0]=3 1367 B8R0.5 CC(C)NC(=O)CS[13CH3] 62a_200025704644_100000183996 [0,1,0,0,0,0|2,0,0]=3 1368 B8R0.5 CC(C)OC(=O)CS[13CH3] 62a_100011215430_200025704644 [0,1,0,0,0,0|1,0,0]=2 1369 B8R0.5 CC(C)OC(=O)CS[13CH3] 62a_200025704644_100011215430 [0,1,0,0,0,0|1,0,0]=2 1370 B8R0.5 CC(C)OC(C)CCBr 34a_100012276601_100000210206 [0,1,0,0,0,0|2,0,1]=4 1371 B8R0.5 CC(C)OC(C)CCO 34a_100000212225_100009893172 [0,1,0,0,0,0|2,0,1]=4 1372 B8R0.5 CC(O)CC(=O)C=CBr 1458a_100016273825_100011218427 [0,1,0,0,0,0|2,0,1]=4 1373 B8R0.5 CC(O)CC(=O)C=CCl 1458a_200016279998_100011218427 [0,1,0,0,0,0|2,0,1]=4 1374 B8R0.5 CC(O)CC(=O)C=CI 1458a_100016256311_100011218427 [0,1,0,0,0,0|2,0,1]=4 1375 B8R0.5 CC(O)CC(=O)CC#N 1458a_100051588842_100011218427 [0,1,0,0,0,0|2,0,1]=4 1376 B8R0.5 CC(O)CC(=O)CCO 1458a_100011216618_100011218427 [0,1,0,0,0,0|2,0,0]=3 1377 B8R0.5 CC=CC(=O)CC(C)C 1458a_100000210699_100000210624 [0,1,0,0,0,0|1,0,1]=3 1378 B8R0.5 CC=CC(=O)CC(C)O 1458a_100000210699_100011218427 [0,1,0,0,0,0|1,0,1]=3 1379 B8R0.5 CC=CC(=O)CC(F)F 1458a_100000210699_100011934356 [0,1,0,0,0,0|2,0,1]=4 1380 B8R0.5 CC=CC(=O)NC(C)C 11a_100138425928_100000210699 [0,1,0,0,0,0|1,0,2]=4 1381 B8R0.5 CC=CC(=O)NC(C)C 1626a_100138425928_100000210699 [0,1,0,0,0,0|1,0,2]=4 1382 B8R0.5 CC=CC(=O)NC(C)C 240690a_100138425928_100000210699 [0,1,0,0,0,0|1,0,2]=4 1383 B8R0.5 CCCC(=CC(=O)C)C 1458a_100020676950_200000210301 [0,1,0,0,0,0|2,0,1]=4 1384 B8R0.5 CCCC(=CC(=O)[13CH3])C 1458a_100020676950_200025704644 [0,1,0,0,0,0|2,0,1]=4 1385 B8R0.5 CCCC(=O)C=C(C)C 1458a_100000211388_100000210303 [0,1,0,0,0,0|1,0,1]=3 1386 B8R0.5 CCCC(=O)C=C(C)Cl 1458a_200042562850_100000210303 [0,1,0,0,0,0|1,0,1]=3 1387 B8R0.5 CCCC(=O)C=C(C)I 1458a_100025716642_100000210303 [0,1,0,0,0,0|1,0,1]=3 1388 B8R0.5 CCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210303 [0,1,0,0,0,0|2,0,1]=4 1389 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [0,1,0,0,0,0|1,0,1]=3 1390 B8R0.5 CCCC(=O)CC(=O)N 1458a_100000211992_100000187820 [0,1,0,0,0,0|2,0,1]=4 1391 B8R0.5 CCCC(=O)CC(=O)N 1458a_100134613110_100000210303 [0,1,0,0,0,0|2,0,1]=4 1392 B8R0.5 CCCC(=O)CC(=O)[O-] 1458a_100000211992_100020667443 [0,1,0,0,0,0|2,0,1]=4 1393 B8R0.5 CCCC(=O)CC(C)C 1458a_100000210554_100000210303 [0,1,0,0,0,0|1,0,0]=2 1394 B8R0.5 CCCC(=O)CC(C)C 1458a_100000211992_100000210624 [0,1,0,0,0,0|1,0,0]=2 1395 B8R0.5 CCCC(=O)CC(C)O 1458a_100000211992_100011218427 [0,1,0,0,0,0|1,0,0]=2 1396 B8R0.5 CCCC(=O)CC(F)F 1458a_100000211992_100011934356 [0,1,0,0,0,0|2,0,0]=3 1397 B8R0.5 CCCC(=O)CN(C)C 1458a_100000750896_100000210303 [0,1,0,0,0,0|2,0,0]=3 1398 B8R0.5 CCCC(=O)CN(C)C 2230a_100102631434_100000747444 [0,1,0,0,0,0|2,0,0]=3 1399 B8R0.5 CCCC(=O)CN(C)C 269982a_100102631434_100000747444 [0,1,0,0,0,0|2,0,0]=3 1400 B8R0.5 CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210303 [0,1,0,0,0,0|1,0,0]=2 1401 B8R0.5 CCCC(=O)C[N+](=O)[O-] 1458a_100000211992_100000761209 [0,1,0,0,0,0|3,0,0]=4 1402 B8R0.5 CCCC(=O)C[S+](C)C 1458a_200159257847_100000210303 [0,1,0,0,0,0|2,0,0]=3 1403 B8R0.5 CCCC(=O)NC(C)C 11a_100138425928_100000211992 [0,1,0,0,0,0|1,0,0]=2 1404 B8R0.5 CCCC(=O)NC(C)C 1626a_100138425928_100000211992 [0,1,0,0,0,0|1,0,0]=2 1405 B8R0.5 CCCC(=O)NC(C)C 240690a_100138425928_100000211992 [0,1,0,0,0,0|1,0,0]=2 1406 B8R0.5 CCCC(=O)NC(C)C 527a_100138425928_100000211992 [0,1,0,0,0,0|1,0,0]=2 1407 B8R0.5 CCCC(C)NC(C)C 2230a_100000741246_100000210206 [0,1,0,0,0,0|2,0,1]=4 1408 B8R0.5 CCCC(C)NC(C)C 2230a_100138425928_100000766640 [0,1,0,0,0,0|2,0,1]=4 1409 B8R0.5 CCCC(C)NC(C)C 34a_100138425928_100000766640 [0,1,0,0,0,0|2,0,1]=4 1410 B8R0.5 CCCC(C)OC(C)C 34a_100000212225_100000766640 [0,1,0,0,0,0|1,0,1]=3 1411 B8R0.5 CCCC(C)OC(C)C 34a_100000764384_100000210206 [0,1,0,0,0,0|1,0,1]=3 1412 B8R0.5 CCCC(C)OC(C)C 7a_100000764384_100000210206 [0,1,0,0,0,0|1,0,1]=3 1413 B8R0.5 CCCC(C)SC(C)C 62a_100000210206_100000766640 [0,1,0,0,0,0|1,1,1]=4 1414 B8R0.5 CCCC(C)SC(C)C 62a_100000766640_100000210206 [0,1,0,0,0,0|1,1,1]=4 1415 B8R0.5 CCCN(C)CC(C)C 2230a_100000747067_100000210303 [0,1,0,0,0,0|3,0,0]=4 1416 B8R0.5 CCCN(C)CC(C)C 2230a_100000747261_100000210760 [0,1,0,0,0,0|3,0,0]=4 1417 B8R0.5 CCCN(C)CC(C)C 269982a_100000747067_100000210303 [0,1,0,0,0,0|3,0,0]=4 1418 B8R0.5 CCCN(C)CC(C)C 269982a_100000747261_100000210624 [0,1,0,0,0,0|3,0,0]=4 1419 B8R0.5 CCCN(C)CC(C)C 270004a_100000747261_100000210432 [0,1,0,0,0,0|3,0,0]=4 1420 B8R0.5 CCCN(C)CC(C)O 2230a_100000227577_100000210303 [0,1,0,0,0,0|3,0,0]=4 1421 B8R0.5 CCCN(C)CC(C)O 2230a_100000747261_100011218427 [0,1,0,0,0,0|3,0,0]=4 1422 B8R0.5 CCCN(C)CC(C)O 269982a_100000227577_100000210303 [0,1,0,0,0,0|3,0,0]=4 1423 B8R0.5 CCCN(C)CC(C)O 269982a_100000747261_100011218427 [0,1,0,0,0,0|3,0,0]=4 1424 B8R0.5 CCCN(C)C[C@@H](C)O 2230a_100000747261_100009817552 [0,1,0,0,0,0|3,0,0]=4 1425 B8R0.5 CCCN(C)C[C@@H](C)O 269982a_100000747261_100009817552 [0,1,0,0,0,0|3,0,0]=4 1426 B8R0.5 CCCS(=O)CC(=O)C 1458a_100011387404_200000210301 [0,1,0,0,0,0|2,0,1]=4 1427 B8R0.5 CCCS(=O)CC(=O)[13CH3] 1458a_100011387404_200025704644 [0,1,0,0,0,0|2,0,1]=4 1428 B8R0.5 CCNC(=O)C=C(C)C 11a_100015525214_100000211388 [0,1,0,0,0,0|1,0,2]=4 1429 B8R0.5 CCNC(=O)C=C(C)C 240690a_100015525214_100000211388 [0,1,0,0,0,0|1,0,2]=4 1430 B8R0.5 CCNC(=O)C=C(C)Cl 11a_100015525214_200042562850 [0,1,0,0,0,0|1,0,2]=4 1431 B8R0.5 CCNC(=O)C=C(C)Cl 240690a_100015525214_200042562850 [0,1,0,0,0,0|1,0,2]=4 1432 B8R0.5 CCNC(=O)C=C(C)I 11a_100015525214_100025716642 [0,1,0,0,0,0|1,0,2]=4 1433 B8R0.5 CCNC(=O)CC(=O)C 1458a_100000070787_100000183381 [0,1,0,0,0,0|1,0,1]=3 1434 B8R0.5 CCNC(=O)CC(=O)N 240690a_100015525214_100134613110 [0,1,0,0,0,0|2,0,1]=4 1435 B8R0.5 CCNC(=O)CC(=O)N 527a_100015525214_100134613110 [0,1,0,0,0,0|2,0,1]=4 1436 B8R0.5 CCNC(=O)CC(C)C 11a_100015525214_100000210554 [0,1,0,0,0,0|1,0,0]=2 1437 B8R0.5 CCNC(=O)CC(C)C 240690a_100015525214_100000210554 [0,1,0,0,0,0|1,0,0]=2 1438 B8R0.5 CCNC(=O)CC(C)C 527a_100015525214_100000210554 [0,1,0,0,0,0|1,0,0]=2 1439 B8R0.5 CCNC(=O)CN(C)C 11a_100015525214_100000750896 [0,1,0,0,0,0|2,0,0]=3 1440 B8R0.5 CCNC(=O)CN(C)C 2230a_100000741943_200000210301 [0,1,0,0,0,0|2,0,0]=3 1441 B8R0.5 CCNC(=O)CN(C)C 2230a_100102631434_100000183381 [0,1,0,0,0,0|2,0,0]=3 1442 B8R0.5 CCNC(=O)CN(C)C 240690a_100015525214_100000750896 [0,1,0,0,0,0|2,0,0]=3 1443 B8R0.5 CCNC(=O)CN(C)C 269982a_100000741943_200000210301 [0,1,0,0,0,0|2,0,0]=3 1444 B8R0.5 CCNC(=O)CN(C)C 269982a_100102631434_100000183381 [0,1,0,0,0,0|2,0,0]=3 1445 B8R0.5 CCNC(=O)CN(C)C 527a_100015525214_100000750896 [0,1,0,0,0,0|2,0,0]=3 1446 B8R0.5 CCNC(=O)CN(C)[13CH3] 2230a_100000741943_200025704644 [0,1,0,0,0,0|2,0,0]=3 1447 B8R0.5 CCNC(=O)CN(C)[13CH3] 269982a_100000741943_200025704644 [0,1,0,0,0,0|2,0,0]=3 1448 B8R0.5 CCNC(=O)C[C@@H](C)O 240690a_100015525214_100011933948 [0,1,0,0,0,0|1,0,0]=2 1449 B8R0.5 CCNC(=O)C[S+](C)C 11a_100015525214_200159257847 [0,1,0,0,0,0|2,0,0]=3 1450 B8R0.5 CCNC(=O)C[S+](C)C 240690a_100015525214_200159257847 [0,1,0,0,0,0|2,0,0]=3 1451 B8R0.5 CCNC(=O)C[S+](C)C 527a_100015525214_200159257847 [0,1,0,0,0,0|2,0,0]=3 1452 B8R0.5 CCNC(=O)NC(C)C 2708a_100015525214_100138425928 [0,1,0,0,0,0|2,0,0]=3 1453 B8R0.5 CCNC(=O)NC(C)C 2708a_100138425928_100015525214 [0,1,0,0,0,0|2,0,0]=3 1454 B8R0.5 CCNC(=O)NC(C)C 273464a_100138425928_100015525214 [0,1,0,0,0,0|2,0,0]=3 1455 B8R0.5 CCNC(=O)NC(C)C 512a_100015525214_100138425928 [0,1,0,0,0,0|2,0,0]=3 1456 B8R0.5 CCNC(=O)NC(C)C 512a_100138425928_100015525214 [0,1,0,0,0,0|2,0,0]=3 1457 B8R0.5 CCNC(C)CC(C)C 2230a_100000692259_100000210202 [0,1,0,0,0,0|2,0,1]=4 1458 B8R0.5 CCNC(C)CC(C)C 2230a_100015525214_100000731052 [0,1,0,0,0,0|2,0,1]=4 1459 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000070787_100000188475 [0,1,0,0,0,0|0,0,1]=2 1460 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000243816_200000210301 [0,1,0,0,0,0|0,0,1]=2 1461 B8R0.5 CCOC(=O)CC(=O)[13CH3] 1458a_100000243816_200025704644 [0,1,0,0,0,0|0,0,1]=2 1462 B8R0.5 CCOC(=O)CN(C)C 2230a_100000220588_200000210301 [0,1,0,0,0,0|1,0,0]=2 1463 B8R0.5 CCOC(=O)CN(C)C 2230a_100102631434_100000188475 [0,1,0,0,0,0|1,0,0]=2 1464 B8R0.5 CCOC(=O)CN(C)C 269982a_100102631434_100000188475 [0,1,0,0,0,0|1,0,0]=2 1465 B8R0.5 CCOC(=O)CN(C)[13CH3] 2230a_100000220588_200025704644 [0,1,0,0,0,0|1,0,0]=2 1466 B8R0.5 CCOC(C)CC(C)C 34a_100000211805_100000210202 [0,1,0,0,0,0|1,0,1]=3 1467 B8R0.5 CCOC(C)CC(C)C 34a_100121572206_100000731052 [0,1,0,0,0,0|1,0,1]=3 1468 B8R0.5 CCOC(C)CC(C)C 7a_100000211805_100000210202 [0,1,0,0,0,0|1,0,1]=3 1469 B8R0.5 CCSC(C)CC(C)C 62a_100000210202_100000731052 [0,1,0,0,0,0|1,1,1]=4 1470 B8R0.5 CCSC(C)CC(C)C 62a_100000731052_100000210202 [0,1,0,0,0,0|1,1,1]=4 1471 B8R0.5 CN(C)CC(=O)CCF 1458a_100000750896_100011217306 [0,1,0,0,0,0|3,0,0]=4 1472 B8R0.5 CN(C)CC(=O)CCO 1458a_100000750896_100000211926 [0,1,0,0,0,0|3,0,0]=4 1473 B8R0.5 CN(C)CC(=O)NCO 2230a_100102631434_100000185155 [0,1,0,0,0,0|3,0,0]=4 1474 B8R0.5 CN(C)CC(=O)NCO 269982a_100102631434_100000185155 [0,1,0,0,0,0|3,0,0]=4 1475 B8R0.5 CNCC(=O)NC(=O)C 7a_106832991635_100000183797 [0,1,0,0,0,0|2,0,1]=4 1476 B8R0.5 CNCC(=O)NC(C)C 2230a_100000168517_200000210301 [0,1,0,0,0,0|2,0,0]=3 1477 B8R0.5 CNCC(=O)NC(C)C 2230a_106832991635_100000183996 [0,1,0,0,0,0|2,0,0]=3 1478 B8R0.5 CNCC(=O)NC(C)C 34a_100102657272_100000183996 [0,1,0,0,0,0|2,0,0]=3 1479 B8R0.5 CNCC(=O)NC(C)C 7a_106832991635_100000183996 [0,1,0,0,0,0|2,0,0]=3 1480 B8R0.5 CNCC(=O)OC(C)C 2230a_106832991635_100011215430 [0,1,0,0,0,0|1,0,0]=2 1481 B8R0.5 CNCC(=O)OC(C)C 34a_100102657272_100011215430 [0,1,0,0,0,0|1,0,0]=2 1482 B8R0.5 CNCC(=O)OC(C)C 7a_106832991635_100011215430 [0,1,0,0,0,0|1,0,0]=2 1483 B8R0.5 CNNC(=O)CC(C)C 22a_100016993582_100000210554 [0,1,0,0,0,0|2,0,0]=3 1484 B8R0.5 CNNC(=O)CN(C)C 22a_100016993582_100000750896 [0,1,0,0,0,0|3,0,0]=4 1485 B8R0.5 CNNC(=O)C[C@@H](C)O 22a_100016993582_100011933948 [0,1,0,0,0,0|2,0,0]=3 1486 B8R0.5 CNNC(=O)C[S+](C)C 22a_100016993582_200159257847 [0,1,0,0,0,0|3,0,0]=4 1487 B8R0.5 CNNC(=O)NC(C)C 273464a_100138425928_100016993582 [0,1,0,0,0,0|3,0,0]=4 1488 B8R0.5 CNNC(=O)NC(C)C 512a_100016993582_100138425928 [0,1,0,0,0,0|3,0,0]=4 1489 B8R0.5 CNNC(=O)NC(C)C 512a_100138425928_100016993582 [0,1,0,0,0,0|3,0,0]=4 1490 B8R0.5 COCC(=O)CC(C)C 1458a_100000210968_100000210624 [0,1,0,0,0,0|2,0,0]=3 1491 B8R0.5 COCC(=O)CC(C)O 1458a_100000210968_100011218427 [0,1,0,0,0,0|2,0,0]=3 1492 B8R0.5 COCC(=O)CC(F)F 1458a_100000210968_100011934356 [0,1,0,0,0,0|3,0,0]=4 1493 B8R0.5 COCC(=O)NC(C)C 11a_100138425928_100000210968 [0,1,0,0,0,0|2,0,0]=3 1494 B8R0.5 COCC(=O)NC(C)C 1626a_100138425928_100000210968 [0,1,0,0,0,0|2,0,0]=3 1495 B8R0.5 COCC(=O)NC(C)C 240690a_100138425928_100000210968 [0,1,0,0,0,0|2,0,0]=3 1496 B8R0.5 COCC(=O)NC(C)C 34a_100138415774_100000183996 [0,1,0,0,0,0|2,0,0]=3 1497 B8R0.5 COCC(=O)NC(C)C 527a_100138425928_100000210968 [0,1,0,0,0,0|2,0,0]=3 1498 B8R0.5 COCC(=O)OC(C)C 34a_100138415774_100011215430 [0,1,0,0,0,0|1,0,0]=2 1499 B8R0.5 COCC(C)OC(C)C 34a_100000212225_100000765312 [0,1,0,0,0,0|2,0,1]=4 1500 B8R0.5 COC[C@@H](C)OC(C)C 34a_100011934205_100000210206 [0,1,0,0,0,0|2,0,1]=4 1501 B8R0.5 CSCC(=O)CC(C)C 1458a_100000184570_100000210624 [0,1,0,0,0,0|2,0,0]=3 1502 B8R0.5 CSCC(=O)CC(C)O 1458a_100000184570_100011218427 [0,1,0,0,0,0|2,0,0]=3 1503 B8R0.5 CSCC(=O)CC(F)F 1458a_100000184570_100011934356 [0,1,0,0,0,0|3,0,0]=4 1504 B8R0.5 CSCC(=O)NC(=O)C 62a_200000210301_100000183797 [0,1,0,0,0,0|2,0,1]=4 1505 B8R0.5 CSCC(=O)NC(C)C 11a_100138425928_100000184570 [0,1,0,0,0,0|2,0,0]=3 1506 B8R0.5 CSCC(=O)NC(C)C 1626a_100138425928_100000184570 [0,1,0,0,0,0|2,0,0]=3 1507 B8R0.5 CSCC(=O)NC(C)C 240690a_100138425928_100000184570 [0,1,0,0,0,0|2,0,0]=3 1508 B8R0.5 CSCC(=O)NC(C)C 527a_100138425928_100000184570 [0,1,0,0,0,0|2,0,0]=3 1509 B8R0.5 CSCC(=O)NC(C)C 62a_100000183996_200000210301 [0,1,0,0,0,0|2,0,0]=3 1510 B8R0.5 CSCC(=O)NC(C)C 62a_200000210301_100000183996 [0,1,0,0,0,0|2,0,0]=3 1511 B8R0.5 CSCC(=O)OC(C)C 62a_100011215430_200000210301 [0,1,0,0,0,0|1,0,0]=2 1512 B8R0.5 CSCC(=O)OC(C)C 62a_200000210301_100011215430 [0,1,0,0,0,0|1,0,0]=2 1513 B8R0.5 C[C@@H](O)CC(=O)CC#N 1458a_100011933948_100011214920 [0,1,0,0,0,0|2,0,1]=4 1514 B8R0.5 C[C@@H](O)CC(=O)CCF 1458a_100011933948_100011217306 [0,1,0,0,0,0|2,0,0]=3 1515 B8R0.5 C[C@@H](O)CC(=O)CCO 1458a_100011933948_100000211926 [0,1,0,0,0,0|2,0,0]=3 1516 B8R0.5 C[S+](C)CC(=O)CCF 1458a_200159257847_100011217306 [0,1,0,0,0,0|3,0,0]=4 1517 B8R0.5 C[S+](C)CC(=O)CCO 1458a_200159257847_100000211926 [0,1,0,0,0,0|3,0,0]=4 1518 B8R0.5 O=C(CCO)CC(F)F 1458a_100011216618_100011934356 [0,1,0,0,0,0|3,0,0]=4 1519 B8R0.22 C#CC(CCC)OCC 34a_200011217317_100000210202 [0,1,0,0,0,0|1,0,1]=3 1520 B8R0.22 C#CC(CCC)OCC 7a_200011217317_100000210202 [0,1,0,0,0,0|1,0,1]=3 1521 B8R0.22 C#CC(CCC)OCF 34a_200011217317_100015361967 [0,1,0,0,0,0|2,0,1]=4 1522 B8R0.22 C#CC(CCC)OCF 7a_200011217317_100015361967 [0,1,0,0,0,0|2,0,1]=4 1523 B8R0.22 C=CC(CCC)OCC 34a_100011216692_100000210202 [0,1,0,0,0,0|1,0,1]=3 1524 B8R0.22 C=CC(CCC)OCC 7a_100011216692_100000210202 [0,1,0,0,0,0|1,0,1]=3 1525 B8R0.22 C=CC(CCC)OCF 34a_100011216692_100015361967 [0,1,0,0,0,0|2,0,1]=4 1526 B8R0.22 C=CC(CCC)OCF 7a_100011216692_100015361967 [0,1,0,0,0,0|2,0,1]=4 1527 B8R0.22 CCCC(C#N)OCC 34a_100000686963_100000210202 [0,1,0,0,0,0|1,0,1]=3 1528 B8R0.22 CCCC(C#N)OCC 7a_100000686963_100000210202 [0,1,0,0,0,0|1,0,1]=3 1529 B8R0.22 CCCC(C#N)OCF 34a_100000686963_100015361967 [0,1,0,0,0,0|2,0,1]=4 1530 B8R0.22 CCCC(C#N)OCF 7a_100000686963_100015361967 [0,1,0,0,0,0|2,0,1]=4 1531 B8R0.22 CCCC(CC)NCC 2230a_100000747048_100000210202 [0,1,0,0,0,0|2,0,1]=4 1532 B8R0.22 CCCC(CC)NCC 270004a_100015525214_100000687865 [0,1,0,0,0,0|2,0,1]=4 1533 B8R0.22 CCCC(CC)OCC 34a_100000687864_100000210202 [0,1,0,0,0,0|1,0,1]=3 1534 B8R0.22 CCCC(CC)OCC 7a_100000687864_100000210202 [0,1,0,0,0,0|1,0,1]=3 1535 B8R0.22 CCCC(CC)OCF 34a_100000687864_100015361967 [0,1,0,0,0,0|2,0,1]=4 1536 B8R0.22 CCCC(CC)OCF 7a_100000687864_100015361967 [0,1,0,0,0,0|2,0,1]=4 1537 B8R0.22 CCCC(CC)SCC 62a_100000210202_100011219200 [0,1,0,0,0,0|1,1,1]=4 1538 B8R0.22 CCCC(CC)SCC 62a_100011219200_100000210202 [0,1,0,0,0,0|1,1,1]=4 1539 B8R0.22 CCCC(CCC)NC 2230a_100011207992_200000210301 [0,1,0,0,0,0|2,0,1]=4 1540 B8R0.22 CCCC(CCC)NC 270004a_106832991635_100000210088 [0,1,0,0,0,0|2,0,1]=4 1541 B8R0.22 CCCC(CCC)NC 34a_100011207992_200000210301 [0,1,0,0,0,0|2,0,1]=4 1542 B8R0.22 CCCC(CCC)NC 34a_100102657272_200011218217 [0,1,0,0,0,0|2,0,1]=4 1543 B8R0.22 CCCC(CCC)NC 7a_106832991635_200011218217 [0,1,0,0,0,0|2,0,1]=4 1544 B8R0.22 CCCC(CCC)N[13CH3] 2230a_100011207992_200025704644 [0,1,0,0,0,0|2,0,1]=4 1545 B8R0.22 CCCC(CCC)N[13CH3] 34a_100011207992_200025704644 [0,1,0,0,0,0|2,0,1]=4 1546 B8R0.22 CCCC(CCC)OC 34a_100138415774_200011218217 [0,1,0,0,0,0|1,0,2]=4 1547 B8R0.22 CCCC(CCC)OC 34a_200011218534_200000210301 [0,1,0,0,0,0|1,0,2]=4 1548 B8R0.22 CCCC(CCC)OC 7a_200011218534_200000210301 [0,1,0,0,0,0|1,0,2]=4 1549 B8R0.22 CCCC(CCC)O[13CH3] 34a_200011218534_200025704644 [0,1,0,0,0,0|1,0,2]=4 1550 B8R0.22 CCCC(CCC)O[13CH3] 7a_200011218534_200025704644 [0,1,0,0,0,0|1,0,2]=4 1551 B8R0.22 CCCC(CCC)SC 62a_200000210301_200011218217 [0,1,0,0,0,0|1,1,1]=4 1552 B8R0.22 CCCC(CCC)SC 62a_200011218217_200000210301 [0,1,0,0,0,0|1,1,1]=4 1553 B8R0.22 CCCC(CCC)S[13CH3] 62a_200011218217_200025704644 [0,1,0,0,0,0|1,1,1]=4 1554 B8R0.22 CCCC(CCC)S[13CH3] 62a_200025704644_200011218217 [0,1,0,0,0,0|1,1,1]=4 1555 B8R0.22 CCCN(CC)CCC 2230a_100000210455_100000210202 [0,1,0,0,0,0|3,0,0]=4 1556 B8R0.22 CCCN(CC)CCC 2230a_100000226822_100000210303 [0,1,0,0,0,0|3,0,0]=4 1557 B8R0.22 CCCN(CC)CCC 269982a_100000210455_100000204670 [0,1,0,0,0,0|3,0,0]=4 1558 B8R0.22 CCCN(CC)CCC 269982a_100000226822_100000210303 [0,1,0,0,0,0|3,0,0]=4 1559 B8R0.22 CCCN(CF)CCC 269982a_100000210455_100015361967 [0,1,0,0,0,0|3,0,0]=4 1560 B8R0.22 CCC[C@@H](CO)NCC 2230a_100000732646_100000210202 [0,1,0,0,0,0|1,0,2]=4 1561 B8R0.22 CCC[C@@H](CO)NCC 34a_100000732646_100000210202 [0,1,0,0,0,0|1,0,2]=4 1562 B8R0.22 CCOC(CC)CNC 2230a_100015183923_200000210301 [0,1,0,0,0,0|2,0,1]=4 1563 B8R0.22 CCOC(CC)CNC 34a_100015183923_200000210301 [0,1,0,0,0,0|2,0,1]=4 1564 B8R0.22 CCOC(CC)CN[13CH3] 2230a_100015183923_200025704644 [0,1,0,0,0,0|2,0,1]=4 1565 B8R0.22 CCOC(CC)CN[13CH3] 34a_100015183923_200025704644 [0,1,0,0,0,0|2,0,1]=4 1566 B8R0.22 CCOC(CC)COC 7a_200011214946_100000210202 [0,1,0,0,0,0|2,0,1]=4 1567 B8R0.22 CCOC(CCl)COC 34a_100011215053_100000210202 [0,1,0,0,0,0|2,0,1]=4 1568 B8R0.22 CCOC(CN)COC 34a_100000756049_100000210202 [0,1,0,0,0,0|2,0,1]=4 1569 B8R0.30 CCCC(C)(C)OCC 7a_100000748436_100000210202 [0,1,0,0,0,0|1,0,1]=3 1570 B8R0.30 CCCC(C)(C)OCF 7a_100000748436_100015361967 [0,1,0,0,0,0|2,0,1]=4 1571 B8R0.30 CCCS(=O)(=O)NCC 270084a_100015525214_100000211391 [0,1,0,0,0,0|2,0,0]=3 1572 B8R0.30 CCCS(=O)(=O)NCC 274078a_100015525214_100000211391 [0,1,0,0,0,0|2,0,0]=3 1573 B8R0.30 CCCS(=O)(=O)NCC 40a_100015525214_100000054278 [0,1,0,0,0,0|2,0,0]=3 1574 B8R0.30 CCCS(=O)(=O)NNC 40a_100016993582_100000054278 [0,1,0,0,0,0|3,0,0]=4 1575 B8R0.30 CCNS(=O)(=O)CCBr 270084a_100015525214_100000731045 [0,1,0,0,0,0|3,0,0]=4 1576 B8R0.30 CCNS(=O)(=O)CCBr 274078a_100015525214_100000731045 [0,1,0,0,0,0|3,0,0]=4 1577 B8R0.30 CCNS(=O)(=O)CCCl 270084a_100015525214_100000184613 [0,1,0,0,0,0|3,0,0]=4 1578 B8R0.30 CCNS(=O)(=O)CCCl 274078a_100015525214_100000184613 [0,1,0,0,0,0|3,0,0]=4 1579 B8R0.30 CCOC(C)(C)CCBr 7a_100000702414_100000210202 [0,1,0,0,0,0|2,0,1]=4 1580 B8R0.30 CCO[Si](C)(C)CSC 62a_200000065227_200000210301 [0,1,0,0,0,0|2,1,0]=4 1581 B8R0.30 CCO[Si](C)(C)CSC 62a_200000210301_200000065227 [0,1,0,0,0,0|2,1,0]=4 1582 B8R0.30 CCO[Si](C)(C)CS[13CH3] 62a_200000065227_200025704644 [0,1,0,0,0,0|2,1,0]=4 1583 B8R0.30 CCO[Si](C)(C)CS[13CH3] 62a_200025704644_200000065227 [0,1,0,0,0,0|2,1,0]=4 1584 B8R1.4 CC1=CCCN(C1)C 2230a_100000725631_200000210301 [0,0,0,1,0,0|3,0,0]=4 1585 B8R1.4 CC1=CCCN(C1)C 269982a_100000725631_200000210301 [0,0,0,1,0,0|3,0,0]=4 1586 B8R1.4 CC1=CCCN(C1)C 34a_100000725631_200000210301 [0,0,0,1,0,0|3,0,0]=4 1587 B8R1.4 CC1=CCCN(C1)[13CH3] 2230a_100000725631_200025704644 [0,0,0,1,0,0|3,0,0]=4 1588 B8R1.4 CC1=CCCN(C1)[13CH3] 269982a_100000725631_200025704644 [0,0,0,1,0,0|3,0,0]=4 1589 B8R1.4 CC1=CCCN(C1)[13CH3] 34a_100000725631_200025704644 [0,0,0,1,0,0|3,0,0]=4 1590 B8R1.4 CC1CN(CCO1)C 2230a_100000729577_200000210301 [0,0,0,1,0,0|2,0,1]=4 1591 B8R1.4 CC1CN(CCO1)C 269982a_100000729577_200000210301 [0,0,0,1,0,0|2,0,1]=4 1592 B8R1.4 CC1CN(CCO1)C 34a_100000729577_200000210301 [0,0,0,1,0,0|2,0,1]=4 1593 B8R1.4 CC1CN(CCO1)[13CH3] 2230a_100000729577_200025704644 [0,0,0,1,0,0|2,0,1]=4 1594 B8R1.4 CC1CN(CCO1)[13CH3] 269982a_100000729577_200025704644 [0,0,0,1,0,0|2,0,1]=4 1595 B8R1.4 CC1CN(CCO1)[13CH3] 34a_100000729577_200025704644 [0,0,0,1,0,0|2,0,1]=4 1596 B8R1.4 CN1CCNC(=O)C1 2230a_100000184651_200000210301 [0,0,0,1,0,0|2,0,0]=3 1597 B8R1.4 CN1CCOC(=O)C1 2230a_100000131268_200000210301 [0,0,0,1,0,0|1,0,0]=2 1598 B8R1.4 CN1CCOC(C1)O 2230a_100000688207_200000210301 [0,0,0,1,0,0|1,0,2]=4 1599 B8R1.4 CN1CCOC(C1)O 269982a_100000688207_200000210301 [0,0,0,1,0,0|1,0,2]=4 1600 B8R1.4 C[C@H]1CCCN(C1)C 2230a_100000717927_200000210301 [0,0,0,1,0,0|3,0,0]=4 1601 B8R1.4 C[C@H]1CCCN(C1)C 269982a_100000717927_200000210301 [0,0,0,1,0,0|3,0,0]=4 1602 B8R1.4 C[C@H]1CCCN(C1)C 34a_100000717927_200000210301 [0,0,0,1,0,0|3,0,0]=4 1603 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 2230a_100000717927_200025704644 [0,0,0,1,0,0|3,0,0]=4 1604 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 269982a_100000717927_200025704644 [0,0,0,1,0,0|3,0,0]=4 1605 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 34a_100000717927_200025704644 [0,0,0,1,0,0|3,0,0]=4 1606 B8R1.4 [13CH3]N1CCNC(=O)C1 2230a_100000184651_200025704644 [0,0,0,1,0,0|2,0,0]=3 1607 B8R1.4 [13CH3]N1CCOC(=O)C1 2230a_100000131268_200025704644 [0,0,0,1,0,0|1,0,0]=2 1608 B8R1.4 [13CH3]N1CCOC(C1)O 2230a_100000688207_200025704644 [0,0,0,1,0,0|1,0,2]=4 1609 B8R1.4 [13CH3]N1CCOC(C1)O 269982a_100000688207_200025704644 [0,0,0,1,0,0|1,0,2]=4 1610 B8R1.6 CCCN1CC(C1)C 2230a_100000702820_100000210303 [0,0,0,1,0,0|3,0,0]=4 1611 B8R1.6 CCCN1CC(C1)C 269982a_100000702820_100000210303 [0,0,0,1,0,0|3,0,0]=4 1612 B8R1.6 CCCN1CC(C1)C 34a_100000702820_100000210303 [0,0,0,1,0,0|3,0,0]=4 1613 B8R1.6 CCOC1CN(C1)C 269982a_100000732654_200000210301 [0,0,0,1,0,0|2,0,1]=4 1614 B8R1.6 CCOC1CN(C1)C 34a_100000732654_200000210301 [0,0,0,1,0,0|2,0,1]=4 1615 B8R1.6 CCOC1CN(C1)[13CH3] 269982a_100000732654_200025704644 [0,0,0,1,0,0|2,0,1]=4 1616 B8R1.6 CCOC1CN(C1)[13CH3] 34a_100000732654_200025704644 [0,0,0,1,0,0|2,0,1]=4 1617 B8R1.8 CCCN1CCCC1 2230a_100000188435_100000210303 [0,0,0,1,0,0|3,0,0]=4 1618 B8R1.8 CCCN1CCCC1 269982a_100000188435_100000210303 [0,0,0,1,0,0|3,0,0]=4 1619 B8R1.8 CCNC1CCCC1 2230a_100000211070_100000210202 [0,0,0,1,0,0|2,0,1]=4 1620 B8R1.8 CCNC1CCCC1 2230a_100015525214_100000179811 [0,0,0,1,0,0|2,0,1]=4 1621 B8R1.8 CCNC1CCCC1 270004a_100015525214_100000210133 [0,0,0,1,0,0|2,0,1]=4 1622 B8R1.8 CCNC1CCCC1 34a_100000211070_100000210202 [0,0,0,1,0,0|2,0,1]=4 1623 B8R1.8 CCOC1CCCC1 34a_100000210269_100000210202 [0,0,0,1,0,0|1,0,1]=3 1624 B8R1.8 CCOC1CCCC1 34a_100121572206_100000179811 [0,0,0,1,0,0|1,0,1]=3 1625 B8R1.8 CCOC1CCCC1 7a_100000210269_100000210202 [0,0,0,1,0,0|1,0,1]=3 1626 B8R1.8 CCOC1CCCO1 34a_100000085407_100000210202 [0,0,0,1,0,0|0,0,2]=3 1627 B8R1.8 CCOC1CCOC1 34a_100121572206_100000690089 [0,0,0,1,0,0|2,0,1]=4 1628 B8R1.8 CCOC1CCSC1 7a_100011232664_100000210202 [0,0,0,1,0,0|2,0,1]=4 1629 B8R1.8 CCO[C@H]1CCOC1 34a_100000717292_100000210202 [0,0,0,1,0,0|2,0,1]=4 1630 B8R1.8 CCSC1CCCC1 62a_100000210202_100000179811 [0,0,0,1,0,0|1,1,1]=4 1631 B8R1.8 CCSC1CCCC1 62a_100011217020_100000210202 [0,0,0,1,0,0|1,1,1]=4 1632 B8R1.8 CNCC1=NCCN1 34a_100102657272_100000737910 [0,0,0,1,0,0|3,0,0]=4 1633 B8R1.8 CNCC1=NCCN1 7a_106832991635_100000737910 [0,0,0,1,0,0|3,0,0]=4 1634 B8R1.8 CNCC1CCCO1 2230a_106832991635_100000203698 [0,0,0,1,0,0|2,0,1]=4 1635 B8R1.8 CNCC1CCCO1 7a_106832991635_100000203698 [0,0,0,1,0,0|2,0,1]=4 1636 B8R1.8 CNCC1OCCO1 2230a_100000036311_200000210301 [0,0,0,1,0,0|1,0,2]=4 1637 B8R1.8 CNCC1OCCO1 2230a_106832991635_100000755774 [0,0,0,1,0,0|1,0,2]=4 1638 B8R1.8 CNCC1OCCO1 34a_100000036311_200000210301 [0,0,0,1,0,0|1,0,2]=4 1639 B8R1.8 CNCC1OCCO1 34a_100102657272_100000755774 [0,0,0,1,0,0|1,0,2]=4 1640 B8R1.8 CNCC1OCCO1 7a_106832991635_100000755774 [0,0,0,1,0,0|1,0,2]=4 1641 B8R1.8 CNC[C@@H]1CCCO1 2230a_100020590478_200000210301 [0,0,0,1,0,0|2,0,1]=4 1642 B8R1.8 CNC[C@@H]1CCCO1 34a_100020590478_200000210301 [0,0,0,1,0,0|2,0,1]=4 1643 B8R1.8 COCC1=NCCN1 34a_100138415774_100000737910 [0,0,0,1,0,0|3,0,0]=4 1644 B8R1.8 COCC1CCCO1 34a_100000210270_200000210301 [0,0,0,1,0,0|2,0,1]=4 1645 B8R1.8 COCC1CCCO1 7a_100000210270_200000210301 [0,0,0,1,0,0|2,0,1]=4 1646 B8R1.8 COCC1OCCO1 34a_100000087154_200000210301 [0,0,0,1,0,0|1,0,2]=4 1647 B8R1.8 COCC1OCCO1 34a_100138415774_100000755774 [0,0,0,1,0,0|1,0,2]=4 1648 B8R1.8 CSCC1=NCCN1 62a_100000737910_200000210301 [0,0,0,1,0,0|3,0,0]=4 1649 B8R1.8 CSCC1=NCCN1 62a_200000210301_100000737910 [0,0,0,1,0,0|3,0,0]=4 1650 B8R1.8 CSCC1CCCO1 62a_100000203698_200000210301 [0,0,0,1,0,0|2,0,1]=4 1651 B8R1.8 CSCC1CCCO1 62a_200000210301_100000203698 [0,0,0,1,0,0|2,0,1]=4 1652 B8R1.8 CSCC1OCCO1 62a_100000755774_200000210301 [0,0,0,1,0,0|1,0,2]=4 1653 B8R1.8 CSCC1OCCO1 62a_200000210301_100000755774 [0,0,0,1,0,0|1,0,2]=4 1654 B8R1.8 FCOC1CCCC1 34a_100000210269_100015361967 [0,0,0,1,0,0|2,0,1]=4 1655 B8R1.8 FCOC1CCCC1 7a_100000210269_100015361967 [0,0,0,1,0,0|2,0,1]=4 1656 B8R1.8 FCOC1CCCO1 34a_100000085407_100015361967 [0,0,0,1,0,0|1,0,2]=4 1657 B8R1.8 [13CH3]NCC1OCCO1 2230a_100000036311_200025704644 [0,0,0,1,0,0|1,0,2]=4 1658 B8R1.8 [13CH3]NCC1OCCO1 34a_100000036311_200025704644 [0,0,0,1,0,0|1,0,2]=4 1659 B8R1.8 [13CH3]NC[C@@H]1CCCO1 2230a_100020590478_200025704644 [0,0,0,1,0,0|2,0,1]=4 1660 B8R1.8 [13CH3]NC[C@@H]1CCCO1 34a_100020590478_200025704644 [0,0,0,1,0,0|2,0,1]=4 1661 B8R1.8 [13CH3]OCC1CCCO1 34a_100000210270_200025704644 [0,0,0,1,0,0|2,0,1]=4 1662 B8R1.8 [13CH3]OCC1CCCO1 7a_100000210270_200025704644 [0,0,0,1,0,0|2,0,1]=4 1663 B8R1.8 [13CH3]OCC1OCCO1 34a_100000087154_200025704644 [0,0,0,1,0,0|1,0,2]=4 1664 B8R1.8 [13CH3]SCC1=NCCN1 62a_100000737910_200025704644 [0,0,0,1,0,0|3,0,0]=4 1665 B8R1.8 [13CH3]SCC1=NCCN1 62a_200025704644_100000737910 [0,0,0,1,0,0|3,0,0]=4 1666 B8R1.8 [13CH3]SCC1CCCO1 62a_100000203698_200025704644 [0,0,0,1,0,0|2,0,1]=4 1667 B8R1.8 [13CH3]SCC1CCCO1 62a_200025704644_100000203698 [0,0,0,1,0,0|2,0,1]=4 1668 B8R1.8 [13CH3]SCC1OCCO1 62a_100000755774_200025704644 [0,0,0,1,0,0|1,0,2]=4 1669 B8R1.8 [13CH3]SCC1OCCO1 62a_200025704644_100000755774 [0,0,0,1,0,0|1,0,2]=4 1670 B8R1.11 CCC1CCCN1C 2230a_100000754278_200000210301 [0,0,0,1,0,0|3,0,0]=4 1671 B8R1.11 CCC1CCCN1C 269982a_100000754278_200000210301 [0,0,0,1,0,0|3,0,0]=4 1672 B8R1.11 CCC1CCCN1C 34a_100000754278_200000210301 [0,0,0,1,0,0|3,0,0]=4 1673 B8R1.11 CCC1CCCN1[13CH3] 2230a_100000754278_200025704644 [0,0,0,1,0,0|3,0,0]=4 1674 B8R1.11 CCC1CCCN1[13CH3] 269982a_100000754278_200025704644 [0,0,0,1,0,0|3,0,0]=4 1675 B8R1.11 CCC1CCCN1[13CH3] 34a_100000754278_200025704644 [0,0,0,1,0,0|3,0,0]=4 1676 B8R1.11 CCN1CCC[C@@H]1C 2230a_100020605311_100000210202 [0,0,0,1,0,0|2,0,1]=4 1677 B8R1.11 CCN1CCC[C@@H]1C 269982a_100020605311_100000204670 [0,0,0,1,0,0|2,0,1]=4 1678 B8R1.11 CCN1CCC[C@H]1C 2230a_100015189458_100000210202 [0,0,0,1,0,0|2,0,1]=4 1679 B8R1.11 CCN1CCC[C@H]1C 269982a_100015189458_100000204670 [0,0,0,1,0,0|2,0,1]=4 1680 B8R1.11 CCN1CCC[C@H]1C 34a_100015189458_100000210202 [0,0,0,1,0,0|2,0,1]=4 1681 B8R1.11 CNC1CCCC1=O 2230a_106832991635_100000211823 [0,0,0,1,0,0|2,0,0]=3 1682 B8R1.11 CNC1CCCC1=O 34a_100102657272_100000709159 [0,0,0,1,0,0|2,0,0]=3 1683 B8R1.11 CNC1CCCC1=O 7a_106832991635_100000211823 [0,0,0,1,0,0|2,0,0]=3 1684 B8R1.11 CNC1CCNC1=O 2230a_100016995588_200000210301 [0,0,0,1,0,0|2,0,0]=3 1685 B8R1.11 CNC1CCNC1=O 34a_100016995588_200000210301 [0,0,0,1,0,0|2,0,0]=3 1686 B8R1.11 CNC1CCOC1=O 2230a_106832991635_100000211211 [0,0,0,1,0,0|1,0,0]=2 1687 B8R1.11 CNC1CCOC1=O 34a_100102657272_100000211211 [0,0,0,1,0,0|1,0,0]=2 1688 B8R1.11 CNC1CCOC1=O 7a_106832991635_100000211211 [0,0,0,1,0,0|1,0,0]=2 1689 B8R1.11 CNC1CCOC1C 270004a_106832991635_100000691750 [0,0,0,1,0,0|2,0,1]=4 1690 B8R1.11 CN[C@@H]1CONC1=O 2230a_100000765999_200000210301 [0,0,0,1,0,0|3,0,0]=4 1691 B8R1.11 CN[C@@H]1CONC1=O 34a_100000765999_200000210301 [0,0,0,1,0,0|3,0,0]=4 1692 B8R1.11 COC1CCCC1=O 34a_100138415774_100000709159 [0,0,0,1,0,0|2,0,0]=3 1693 B8R1.11 COC1CCCC1=O 34a_200000719330_200000210301 [0,0,0,1,0,0|2,0,0]=3 1694 B8R1.11 COC1CCOC1=O 34a_100138415774_100000211211 [0,0,0,1,0,0|1,0,0]=2 1695 B8R1.11 CO[C@H]1CCNC1=O 34a_100000688343_200000210301 [0,0,0,1,0,0|2,0,0]=3 1696 B8R1.11 CSC1CCCC1=O 62a_100000211823_200000210301 [0,0,0,1,0,0|2,0,0]=3 1697 B8R1.11 CSC1CCCC1=O 62a_200000210301_100000211823 [0,0,0,1,0,0|2,0,0]=3 1698 B8R1.11 CSC1CCOC1=O 62a_100000211211_200000210301 [0,0,0,1,0,0|1,0,0]=2 1699 B8R1.11 CSC1CCOC1=O 62a_200000210301_100000211211 [0,0,0,1,0,0|1,0,0]=2 1700 B8R1.11 [13CH3]NC1CCNC1=O 2230a_100016995588_200025704644 [0,0,0,1,0,0|2,0,0]=3 1701 B8R1.11 [13CH3]NC1CCNC1=O 34a_100016995588_200025704644 [0,0,0,1,0,0|2,0,0]=3 1702 B8R1.11 [13CH3]N[C@@H]1CONC1=O 2230a_100000765999_200025704644 [0,0,0,1,0,0|3,0,0]=4 1703 B8R1.11 [13CH3]N[C@@H]1CONC1=O 34a_100000765999_200025704644 [0,0,0,1,0,0|3,0,0]=4 1704 B8R1.11 [13CH3]OC1CCCC1=O 34a_200000719330_200025704644 [0,0,0,1,0,0|2,0,0]=3 1705 B8R1.11 [13CH3]O[C@H]1CCNC1=O 34a_100000688343_200025704644 [0,0,0,1,0,0|2,0,0]=3 1706 B8R1.11 [13CH3]SC1CCCC1=O 62a_100000211823_200025704644 [0,0,0,1,0,0|2,0,0]=3 1707 B8R1.11 [13CH3]SC1CCCC1=O 62a_200025704644_100000211823 [0,0,0,1,0,0|2,0,0]=3 1708 B8R1.11 [13CH3]SC1CCOC1=O 62a_100000211211_200025704644 [0,0,0,1,0,0|1,0,0]=2 1709 B8R1.11 [13CH3]SC1CCOC1=O 62a_200025704644_100000211211 [0,0,0,1,0,0|1,0,0]=2 1710 B8R1.22 CN1CCCCCC1 2230a_100000185865_200000210301 [0,0,0,1,0,0|3,0,0]=4 1711 B8R1.22 CN1CCCCCC1 269982a_100000185865_200000210301 [0,0,0,1,0,0|3,0,0]=4 1712 B8R1.22 CN1CCCCCC1 34a_100000185865_200000210301 [0,0,0,1,0,0|3,0,0]=4 1713 B8R1.22 [13CH3]N1CCCCCC1 2230a_100000185865_200025704644 [0,0,0,1,0,0|3,0,0]=4 1714 B8R1.22 [13CH3]N1CCCCCC1 269982a_100000185865_200025704644 [0,0,0,1,0,0|3,0,0]=4 1715 B8R1.22 [13CH3]N1CCCCCC1 34a_100000185865_200025704644 [0,0,0,1,0,0|3,0,0]=4 1716 B8R1.37 C#CCC(=O)C1CC1 1458a_100000210395_100000184674 [0,0,0,1,0,0|1,0,2]=4 1717 B8R1.37 C=CCC(=O)C1CC1 1458a_100000210395_100000210623 [0,0,0,1,0,0|1,0,2]=4 1718 B8R1.37 CC(OCF)C1CC1 34a_100000744524_100015361967 [0,0,0,1,0,0|2,0,1]=4 1719 B8R1.37 CC(OCF)C1CC1 7a_100000744524_100015361967 [0,0,0,1,0,0|2,0,1]=4 1720 B8R1.37 CCCC(=O)C1CC1 1458a_100000210395_100000210303 [0,0,0,1,0,0|1,0,0]=2 1721 B8R1.37 CCCC(=O)C1CO1 1458a_100000701028_100000210303 [0,0,0,1,0,0|2,0,0]=3 1722 B8R1.37 CCCN(C)C1CC1 2230a_100000226674_100000210303 [0,0,0,1,0,0|3,0,0]=4 1723 B8R1.37 CCCN(C)C1CC1 2230a_100000765834_200000210301 [0,0,0,1,0,0|3,0,0]=4 1724 B8R1.37 CCCN(C)C1CC1 269982a_100000226674_100000210303 [0,0,0,1,0,0|3,0,0]=4 1725 B8R1.37 CCCN(C)C1CC1 269982a_100000747261_100000211595 [0,0,0,1,0,0|3,0,0]=4 1726 B8R1.37 CCCN(C)C1CC1 269982a_100000765834_200000210301 [0,0,0,1,0,0|3,0,0]=4 1727 B8R1.37 CCCN([13CH3])C1CC1 2230a_100000765834_200025704644 [0,0,0,1,0,0|3,0,0]=4 1728 B8R1.37 CCCN([13CH3])C1CC1 269982a_100000765834_200025704644 [0,0,0,1,0,0|3,0,0]=4 1729 B8R1.37 CCNC(=O)C1CC1 11a_100015525214_100000210395 [0,0,0,1,0,0|1,0,0]=2 1730 B8R1.37 CCNC(=O)C1CC1 240690a_100015525214_100000210395 [0,0,0,1,0,0|1,0,0]=2 1731 B8R1.37 CCNC(=O)C1CC1 527a_100015525214_100000210395 [0,0,0,1,0,0|1,0,0]=2 1732 B8R1.37 CCNC(=O)C1CO1 11a_100015525214_100000701028 [0,0,0,1,0,0|2,0,0]=3 1733 B8R1.37 CCNC(=O)C1CO1 240690a_100015525214_100000701028 [0,0,0,1,0,0|2,0,0]=3 1734 B8R1.37 CCNC(=O)C1CO1 527a_100015525214_100000701028 [0,0,0,1,0,0|2,0,0]=3 1735 B8R1.37 CCNC(C)C1CC1 2230a_100000700016_100000210202 [0,0,0,1,0,0|2,0,1]=4 1736 B8R1.37 CCNC(C)C1CC1 269862a_100015525214_100000210639 [0,0,0,1,0,0|2,0,1]=4 1737 B8R1.37 CCNC(C)C1CC1 34a_100000700016_100000210202 [0,0,0,1,0,0|2,0,1]=4 1738 B8R1.37 CCOC(C)C1CC1 34a_100000744524_100000210202 [0,0,0,1,0,0|1,0,1]=3 1739 B8R1.37 CCOC(C)C1CC1 7a_100000744524_100000210202 [0,0,0,1,0,0|1,0,1]=3 1740 B8R1.37 CNCC(=O)C1CC1 2230a_106832991635_100000746382 [0,0,0,1,0,0|2,0,0]=3 1741 B8R1.37 CNCC(=O)C1CC1 34a_100102657272_100000746382 [0,0,0,1,0,0|2,0,0]=3 1742 B8R1.37 CNCC(=O)C1CC1 7a_106832991635_100000746382 [0,0,0,1,0,0|2,0,0]=3 1743 B8R1.37 CNNC(=O)C1CC1 22a_100016993582_100000210395 [0,0,0,1,0,0|2,0,0]=3 1744 B8R1.37 CNNC(=O)C1CO1 22a_100016993582_100000701028 [0,0,0,1,0,0|3,0,0]=4 1745 B8R1.37 COCC(=O)C1CC1 34a_100000686663_200000210301 [0,0,0,1,0,0|2,0,0]=3 1746 B8R1.37 COCC(=O)C1CC1 34a_100138415774_100000746382 [0,0,0,1,0,0|2,0,0]=3 1747 B8R1.37 CSCC(=O)C1CC1 62a_100000746382_200000210301 [0,0,0,1,0,0|2,0,0]=3 1748 B8R1.37 CSCC(=O)C1CC1 62a_200000210301_100000746382 [0,0,0,1,0,0|2,0,0]=3 1749 B8R1.37 N#CCC(=O)C1CC1 1458a_100000210395_100011214920 [0,0,0,1,0,0|2,0,1]=4 1750 B8R1.37 O=C(CCF)C1CC1 1458a_100000210395_100011217306 [0,0,0,1,0,0|2,0,0]=3 1751 B8R1.37 O=C(CCF)C1CO1 1458a_100000701028_100011217306 [0,0,0,1,0,0|3,0,0]=4 1752 B8R1.37 O=C(CCO)C1CC1 1458a_100000210395_100000211926 [0,0,0,1,0,0|2,0,0]=3 1753 B8R1.37 O=C(CCO)C1CO1 1458a_100000701028_100000211926 [0,0,0,1,0,0|3,0,0]=4 1754 B8R1.37 [13CH3]OCC(=O)C1CC1 34a_100000686663_200025704644 [0,0,0,1,0,0|2,0,0]=3 1755 B8R1.37 [13CH3]SCC(=O)C1CC1 62a_100000746382_200025704644 [0,0,0,1,0,0|2,0,0]=3 1756 B8R1.37 [13CH3]SCC(=O)C1CC1 62a_200025704644_100000746382 [0,0,0,1,0,0|2,0,0]=3 1757 B8R1.66 CC1(CCC1)OCF 34a_100000759064_100015361967 [0,0,0,1,0,0|2,0,1]=4 1758 B8R1.66 CC1(CCC1)OCF 7a_100000759064_100015361967 [0,0,0,1,0,0|2,0,1]=4 1759 B8R1.66 CCNC1(CCC1)C 2230a_100000692455_100000210202 [0,0,0,1,0,0|2,0,1]=4 1760 B8R1.66 CCNC1(CCC1)C 34a_100000692455_100000210202 [0,0,0,1,0,0|2,0,1]=4 1761 B8R1.66 CCOC1(CCC1)C 34a_100000759064_100000210202 [0,0,0,1,0,0|1,0,1]=3 1762 B8R1.66 CCOC1(CCC1)C 7a_100000759064_100000210202 [0,0,0,1,0,0|1,0,1]=3 1763 B8R1.66 CCOC1(CSC1)C 7a_100016018533_100000210202 [0,0,0,1,0,0|2,0,1]=4 1764 B5R0.1 C#CCC(=O)C 1458a_100000070787_100000184674 [2,0,0,0,0,0|0,0,2]=4 1765 B5R0.1 C#CCC(=O)C 1458a_100011220946_200000210301 [2,0,0,0,0,0|0,0,2]=4 1766 B5R0.1 C#CCC(=O)[13CH3] 1458a_100011220946_200025704644 [2,0,0,0,0,0|0,0,2]=4 1767 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [2,0,0,0,0,0|2,0,0]=4 1768 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [2,0,0,0,0,0|2,0,0]=4 1769 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [2,0,0,0,0,0|2,0,0]=4 1770 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [2,0,0,0,0,0|2,0,0]=4 1771 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [2,0,0,0,0,0|2,0,0]=4 1772 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [2,0,0,0,0,0|2,0,0]=4 1773 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [2,0,0,0,0,0|2,0,0]=4 1774 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [2,0,0,0,0,0|2,0,0]=4 1775 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [2,0,0,0,0,0|2,0,0]=4 1776 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [2,0,0,0,0,0|2,0,0]=4 1777 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [2,0,0,0,0,0|0,0,2]=4 1778 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [2,0,0,0,0,0|0,0,2]=4 1779 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [2,0,0,0,0,0|0,0,2]=4 1780 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [2,0,0,0,0,0|0,0,2]=4 1781 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [2,0,0,0,0,0|0,0,2]=4 1782 B5R0.1 CC(=O)CC#N 1458a_100000070787_100011214920 [2,0,0,0,0,0|1,0,1]=4 1783 B5R0.1 CC(=O)CC#N 1458a_100051588842_200000210301 [2,0,0,0,0,0|1,0,1]=4 1784 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [2,0,0,0,0,0|1,0,0]=3 1785 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [2,0,0,0,0,0|1,0,0]=3 1786 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [2,0,0,0,0,0|1,0,0]=3 1787 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [2,0,0,0,0,0|1,0,0]=3 1788 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [2,0,0,0,0,0|0,0,2]=4 1789 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [2,0,0,0,0,0|0,0,2]=4 1790 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [2,0,0,0,0,0|0,0,0]=2 1791 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [2,0,0,0,0,0|0,0,0]=2 1792 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [2,0,0,0,0,0|0,0,0]=2 1793 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [2,0,0,0,0,0|2,0,0]=4 1794 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [2,0,0,0,0,0|2,0,0]=4 1795 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [2,0,0,0,0,0|2,0,0]=4 1796 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [2,0,0,0,0,0|2,0,0]=4 1797 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [2,0,0,0,0,0|2,0,0]=4 1798 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [2,0,0,0,0,0|2,0,0]=4 1799 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [2,0,0,0,0,0|1,0,0]=3 1800 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [2,0,0,0,0,0|1,0,0]=3 1801 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [2,0,0,0,0,0|1,0,0]=3 1802 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [2,0,0,0,0,0|1,0,1]=4 1803 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [2,0,0,0,0,0|1,0,1]=4 1804 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [2,0,0,0,0,0|2,0,0]=4 1805 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [2,0,0,0,0,0|2,0,0]=4 1806 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [2,0,0,0,0,0|2,0,0]=4 1807 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [2,0,0,0,0,0|2,0,0]=4 1808 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [2,0,0,0,0,0|1,0,0]=3 1809 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [2,0,0,0,0,0|1,0,1]=4 1810 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [2,0,0,0,0,0|2,0,0]=4 1811 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [2,0,0,0,0,0|1,0,0]=3 1812 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [2,0,0,0,0,0|1,0,0]=3 1813 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [2,0,0,0,0,0|2,0,0]=4 1814 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [2,0,0,0,0,0|1,0,0]=3 1815 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [2,0,0,0,0,0|1,0,1]=4 1816 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [2,0,0,0,0,0|1,0,0]=3 1817 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [2,0,0,0,0,0|2,0,0]=4 1818 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [2,0,0,0,0,0|2,0,0]=4 1819 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [2,0,0,0,0,0|1,0,0]=3 1820 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [2,0,0,0,0,0|1,0,1]=4 1821 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [2,0,0,0,0,0|1,0,1]=4 1822 B5R0.1 [13CH3]C(=O)CC#N 1458a_100051588842_200025704644 [2,0,0,0,0,0|1,0,1]=4 1823 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [2,0,0,0,0,0|1,0,0]=3 1824 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [2,0,0,0,0,0|2,0,0]=4 1825 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [2,0,0,0,0,0|1,0,0]=3 1826 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [2,0,0,0,0,0|2,0,0]=4 1827 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [2,0,0,0,0,0|2,0,0]=4 1828 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [2,0,0,0,0,0|1,0,1]=4 1829 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [2,0,0,0,0,0|1,0,1]=4 1830 B5R0.2 C#CCOCC 34a_100000210247_100000210202 [2,0,0,0,0,0|0,0,2]=4 1831 B5R0.2 C#CCOCC 34a_100121572206_100000184674 [2,0,0,0,0,0|0,0,2]=4 1832 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [2,0,0,0,0,0|1,0,1]=4 1833 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [2,0,0,0,0,0|1,0,1]=4 1834 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [2,0,0,0,0,0|1,0,1]=4 1835 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [2,0,0,0,0,0|1,0,1]=4 1836 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [2,0,0,0,0,0|1,0,1]=4 1837 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [2,0,0,0,0,0|1,0,1]=4 1838 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [2,0,0,0,0,0|1,0,1]=4 1839 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [2,0,0,0,0,0|1,0,1]=4 1840 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [2,0,0,0,0,0|1,0,1]=4 1841 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [2,0,0,0,0,0|0,0,2]=4 1842 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [2,0,0,0,0,0|0,0,2]=4 1843 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [2,0,0,0,0,0|1,0,1]=4 1844 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [2,0,0,0,0,0|1,0,1]=4 1845 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [2,0,0,0,0,0|1,0,1]=4 1846 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [2,0,0,0,0,0|1,0,1]=4 1847 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [2,0,0,0,0,0|1,0,1]=4 1848 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [2,0,0,0,0,0|1,0,1]=4 1849 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [2,0,0,0,0,0|1,0,1]=4 1850 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [2,0,0,0,0,0|1,0,1]=4 1851 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [2,0,0,0,0,0|1,0,1]=4 1852 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [2,0,0,0,0,0|1,0,1]=4 1853 B5R0.2 CCCCNC 34a_100102657272_100000210210 [2,0,0,0,0,0|1,0,1]=4 1854 B5R0.2 CCCCNC 7a_106832991635_100000210211 [2,0,0,0,0,0|1,0,1]=4 1855 B5R0.2 CCCCNC 7a_106832991798_200000210301 [2,0,0,0,0,0|1,0,1]=4 1856 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [2,0,0,0,0,0|1,0,1]=4 1857 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [2,0,0,0,0,0|1,0,1]=4 1858 B5R0.2 CCCCOC 34a_100000210227_200000210301 [2,0,0,0,0,0|0,0,1]=3 1859 B5R0.2 CCCCOC 34a_100138415774_100000210210 [2,0,0,0,0,0|0,0,1]=3 1860 B5R0.2 CCCCOC 7a_100000210227_200000210301 [2,0,0,0,0,0|0,0,1]=3 1861 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [2,0,0,0,0,0|0,0,1]=3 1862 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [2,0,0,0,0,0|0,0,1]=3 1863 B5R0.2 CCCCSC 62a_100000210211_200000210301 [2,0,0,0,0,0|0,1,1]=4 1864 B5R0.2 CCCCSC 62a_200000210301_100000210210 [2,0,0,0,0,0|0,1,1]=4 1865 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [2,0,0,0,0,0|0,1,1]=4 1866 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [2,0,0,0,0,0|0,1,1]=4 1867 B5R0.2 CCCNCC 2230a_100015525214_100000210303 [2,0,0,0,0,0|1,0,0]=3 1868 B5R0.2 CCCOCC 34a_100000210258_100000210202 [2,0,0,0,0,0|0,0,0]=2 1869 B5R0.2 CCCOCC 34a_100121572206_100000210303 [2,0,0,0,0,0|0,0,0]=2 1870 B5R0.2 CCCOCF 34a_100000210258_100015361967 [2,0,0,0,0,0|1,0,0]=3 1871 B5R0.2 CCCSCC 62a_100000210202_100000210303 [2,0,0,0,0,0|0,1,0]=3 1872 B5R0.2 CCCSCC 62a_100000210303_100000210202 [2,0,0,0,0,0|0,1,0]=3 1873 B5R0.2 CCCSCF 62a_100000210303_100015361967 [2,0,0,0,0,0|1,1,0]=4 1874 B5R0.2 CCCSCF 62a_100015361967_100000210303 [2,0,0,0,0,0|1,1,0]=4 1875 B5R0.2 CCNCCF 2230a_100015525214_100011217306 [2,0,0,0,0,0|2,0,0]=4 1876 B5R0.2 CCNCCF 34a_100000724931_100000210202 [2,0,0,0,0,0|2,0,0]=4 1877 B5R0.2 CCNCCO 2230a_100015525214_100000211926 [2,0,0,0,0,0|2,0,0]=4 1878 B5R0.2 CCNCCO 2230a_100016997473_100000210202 [2,0,0,0,0,0|2,0,0]=4 1879 B5R0.2 CCNCCO 34a_100016990907_100000210202 [2,0,0,0,0,0|2,0,0]=4 1880 B5R0.2 CCNCOC 2230a_100015525214_100000766300 [2,0,0,0,0,0|1,0,1]=4 1881 B5R0.2 CCNCSC 2230a_100015525214_100011218213 [2,0,0,0,0,0|2,0,0]=4 1882 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [2,0,0,0,0,0|1,0,1]=4 1883 B5R0.2 CCOCCBr 34a_100000211926_100000210202 [2,0,0,0,0,0|1,0,0]=3 1884 B5R0.2 CCOCCF 34a_100121572206_100011217306 [2,0,0,0,0,0|1,0,0]=3 1885 B5R0.2 CCOCCN 34a_100000210304_100000210202 [2,0,0,0,0,0|1,0,0]=3 1886 B5R0.2 CCOCCO 34a_100121572206_100000211926 [2,0,0,0,0,0|1,0,0]=3 1887 B5R0.2 CCOCSC 34a_100121572206_100011218213 [2,0,0,0,0,0|1,0,0]=3 1888 B5R0.2 CCOCSC 62a_100000739092_200000210301 [2,0,0,0,0,0|1,0,0]=3 1889 B5R0.2 CCOCSC 62a_200000210301_100000739092 [2,0,0,0,0,0|1,0,0]=3 1890 B5R0.2 CCOCS[13CH3] 62a_100000739092_200025704644 [2,0,0,0,0,0|1,0,0]=3 1891 B5R0.2 CCOCS[13CH3] 62a_200025704644_100000739092 [2,0,0,0,0,0|1,0,0]=3 1892 B5R0.2 CCSCCF 62a_100000210202_100011217306 [2,0,0,0,0,0|1,1,0]=4 1893 B5R0.2 CCSCCF 62a_100011217306_100000210202 [2,0,0,0,0,0|1,1,0]=4 1894 B5R0.2 CCSCCO 62a_100000210202_100000211926 [2,0,0,0,0,0|1,1,0]=4 1895 B5R0.2 CCSCCO 62a_100000211926_100000210202 [2,0,0,0,0,0|1,1,0]=4 1896 B5R0.2 CCSCOC 62a_100000210202_100000766300 [2,0,0,0,0,0|1,0,1]=4 1897 B5R0.2 CCSCOC 62a_100000766300_100000210202 [2,0,0,0,0,0|1,0,1]=4 1898 B5R0.2 CCSCSC 62a_100000210202_100011218213 [2,0,0,0,0,0|1,1,0]=4 1899 B5R0.2 CCSCSC 62a_100011218213_100000210202 [2,0,0,0,0,0|1,1,0]=4 1900 B5R0.2 CNCCOC 2230a_100000209980_200000210301 [2,0,0,0,0,0|1,0,1]=4 1901 B5R0.2 CNCCOC 2230a_106832991635_100011201679 [2,0,0,0,0,0|1,0,1]=4 1902 B5R0.2 CNCCOC 34a_100102657272_100011201679 [2,0,0,0,0,0|1,0,1]=4 1903 B5R0.2 CNCCOC 7a_106832991635_100000233755 [2,0,0,0,0,0|1,0,1]=4 1904 B5R0.2 COCCCBr 34a_100011217188_200000210301 [2,0,0,0,0,0|1,0,1]=4 1905 B5R0.2 COCCCCl 34a_100000230001_200000210301 [2,0,0,0,0,0|1,0,1]=4 1906 B5R0.2 COCCCF 34a_100000759539_200000210301 [2,0,0,0,0,0|1,0,1]=4 1907 B5R0.2 COCCCF 34a_100138415774_100011934791 [2,0,0,0,0,0|1,0,1]=4 1908 B5R0.2 COCCCN 34a_100000182051_200000210301 [2,0,0,0,0,0|1,0,1]=4 1909 B5R0.2 COCCCO 34a_100138415774_100000230001 [2,0,0,0,0,0|1,0,1]=4 1910 B5R0.2 COCCN[13CH3] 2230a_100000209980_200025704644 [2,0,0,0,0,0|1,0,1]=4 1911 B5R0.2 COCCOC 34a_100000210237_200000210301 [2,0,0,0,0,0|1,0,1]=4 1912 B5R0.2 COCCOC 34a_100138415774_100011201679 [2,0,0,0,0,0|1,0,1]=4 1913 B5R0.2 COCCO[13CH3] 34a_100000210237_200025704644 [2,0,0,0,0,0|1,0,1]=4 1914 B5R0.2 COCCSC 34a_100000230434_200000210301 [2,0,0,0,0,0|1,0,1]=4 1915 B5R0.2 COCCSC 34a_100138415774_100000212216 [2,0,0,0,0,0|1,0,1]=4 1916 B5R0.2 COCCSC 62a_100000233755_200000210301 [2,0,0,0,0,0|1,0,1]=4 1917 B5R0.2 COCCSC 62a_200000210301_100000233755 [2,0,0,0,0,0|1,0,1]=4 1918 B5R0.2 COCCSC 7a_100000230434_200000210301 [2,0,0,0,0,0|1,0,1]=4 1919 B5R0.2 COCCS[13CH3] 62a_100000233755_200025704644 [2,0,0,0,0,0|1,0,1]=4 1920 B5R0.2 COCCS[13CH3] 62a_200025704644_100000233755 [2,0,0,0,0,0|1,0,1]=4 1921 B5R0.2 CSCCO[13CH3] 34a_100000230434_200025704644 [2,0,0,0,0,0|1,0,1]=4 1922 B5R0.2 CSCCO[13CH3] 7a_100000230434_200025704644 [2,0,0,0,0,0|1,0,1]=4 1923 B5R0.2 FCOCCBr 34a_100000211926_100015361967 [2,0,0,0,0,0|2,0,0]=4 1924 B5R0.2 NCCOCF 34a_100000210304_100015361967 [2,0,0,0,0,0|2,0,0]=4 1925 B5R0.2 [13CH3]OCCCBr 34a_100011217188_200025704644 [2,0,0,0,0,0|1,0,1]=4 1926 B5R0.2 [13CH3]OCCCCl 34a_100000230001_200025704644 [2,0,0,0,0,0|1,0,1]=4 1927 B5R0.2 [13CH3]OCCCF 34a_100000759539_200025704644 [2,0,0,0,0,0|1,0,1]=4 1928 B5R0.2 [13CH3]OCCCN 34a_100000182051_200025704644 [2,0,0,0,0,0|1,0,1]=4 1929 B5R0.3 C#CC(=O)CC 1458a_100000211873_100000210202 [2,0,0,0,0,0|0,0,2]=4 1930 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [2,0,0,0,0,0|0,0,2]=4 1931 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [2,0,0,0,0,0|0,0,0]=2 1932 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [2,0,0,0,0,0|1,0,0]=3 1933 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [2,0,0,0,0,0|1,0,0]=3 1934 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [2,0,0,0,0,0|1,0,0]=3 1935 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [2,0,0,0,0,0|1,0,0]=3 1936 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [2,0,0,0,0,0|1,0,0]=3 1937 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [2,0,0,0,0,0|1,0,0]=3 1938 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [2,0,0,0,0,0|1,0,1]=4 1939 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [2,0,0,0,0,0|1,0,1]=4 1940 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [2,0,0,0,0,0|1,0,1]=4 1941 B5R0.3 CCN(C)CC 2230a_100000225621_100000210202 [2,0,0,0,0,0|2,0,0]=4 1942 B5R0.3 CCN(C)CC 2230a_100000724800_200000210301 [2,0,0,0,0,0|2,0,0]=4 1943 B5R0.3 CCN(C)CC 269956a_100000042499_200000210301 [2,0,0,0,0,0|2,0,0]=4 1944 B5R0.3 CCN(C)CC 269982a_100000225621_100000204670 [2,0,0,0,0,0|2,0,0]=4 1945 B5R0.3 CCN(C)CC 269982a_100000724800_200000210301 [2,0,0,0,0,0|2,0,0]=4 1946 B5R0.3 CCN([13CH3])CC 2230a_100000724800_200025704644 [2,0,0,0,0,0|2,0,0]=4 1947 B5R0.3 CCN([13CH3])CC 269956a_100000042499_200025704644 [2,0,0,0,0,0|2,0,0]=4 1948 B5R0.3 CCN([13CH3])CC 269982a_100000724800_200025704644 [2,0,0,0,0,0|2,0,0]=4 1949 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [2,0,0,0,0,0|2,0,0]=4 1950 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [2,0,0,0,0,0|2,0,0]=4 1951 B5R0.3 CNC(=O)NC 2708a_100102657272_106832991635 [2,0,0,0,0,0|2,0,0]=4 1952 B5R0.3 CNC(=O)NC 273464a_100102657272_100102657272 [2,0,0,0,0,0|2,0,0]=4 1953 B5R0.3 CNC(=O)NC 512a_106832991638_100102657272 [2,0,0,0,0,0|2,0,0]=4 1954 B5R0.3 O=C(CO)CF 1458a_100000210174_100015361967 [2,0,0,0,0,0|2,0,0]=4 1955 B7R0.2 C#CC(=O)CC(C)C 1458a_100000211873_100000210624 [1,1,0,0,0,0|0,0,2]=4 1956 B7R0.2 C#CC(=O)CC(C)O 1458a_100000211873_100011218427 [1,1,0,0,0,0|0,0,2]=4 1957 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [1,1,0,0,0,0|0,0,1]=3 1958 B7R0.2 C=C(C)CC(=O)CO 1458a_100000210174_100000748629 [1,1,0,0,0,0|1,0,1]=4 1959 B7R0.2 C=C(F)CC(=O)CC 1458a_100000210414_100009893438 [1,1,0,0,0,0|0,0,2]=4 1960 B7R0.2 C=CC(=O)CC(C)C 1458a_100000185746_100000210624 [1,1,0,0,0,0|0,0,2]=4 1961 B7R0.2 C=CC(=O)CC(C)O 1458a_100000185746_100011218427 [1,1,0,0,0,0|0,0,2]=4 1962 B7R0.2 CC(C)CC(=O)CF 1458a_100000210554_100015361967 [1,1,0,0,0,0|1,0,0]=3 1963 B7R0.2 CC(C)CC(=O)CO 1458a_100000210174_100000210624 [1,1,0,0,0,0|1,0,0]=3 1964 B7R0.2 CC(C)CC(C)O[13CH3] 34a_100000211805_200025704644 [1,1,0,0,0,0|1,0,1]=4 1965 B7R0.2 CC(C)CC(C)O[13CH3] 7a_100000211805_200025704644 [1,1,0,0,0,0|1,0,1]=4 1966 B7R0.2 CC(C)NC(=O)CO 240690a_100138425928_100000210174 [1,1,0,0,0,0|2,0,0]=4 1967 B7R0.2 CC(C)NC(=O)CO 527a_100138425928_100000210174 [1,1,0,0,0,0|2,0,0]=4 1968 B7R0.2 CC(O)CC(=O)CO 1458a_100000210174_100011218427 [1,1,0,0,0,0|1,0,0]=3 1969 B7R0.2 CCC(=O)C=C(C)C 1458a_100000211388_100000210202 [1,1,0,0,0,0|0,0,2]=4 1970 B7R0.2 CCC(=O)C=C(C)Cl 1458a_200042562850_100000210202 [1,1,0,0,0,0|0,0,2]=4 1971 B7R0.2 CCC(=O)C=C(C)I 1458a_100025716642_100000210202 [1,1,0,0,0,0|0,0,2]=4 1972 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [1,1,0,0,0,0|0,0,1]=3 1973 B7R0.2 CCC(=O)CC(=O)N 1458a_100000210414_100000187820 [1,1,0,0,0,0|1,0,1]=4 1974 B7R0.2 CCC(=O)CC(=O)N 1458a_100134613110_100000210202 [1,1,0,0,0,0|1,0,1]=4 1975 B7R0.2 CCC(=O)CC(=O)[O-] 1458a_100000210414_100020667443 [1,1,0,0,0,0|1,0,1]=4 1976 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [1,1,0,0,0,0|0,0,0]=2 1977 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [1,1,0,0,0,0|0,0,0]=2 1978 B7R0.2 CCC(=O)CC(C)O 1458a_100000210414_100011218427 [1,1,0,0,0,0|0,0,0]=2 1979 B7R0.2 CCC(=O)CC(F)F 1458a_100000210414_100011934356 [1,1,0,0,0,0|1,0,0]=3 1980 B7R0.2 CCC(=O)CN(C)C 1458a_100000750896_100000210202 [1,1,0,0,0,0|1,0,0]=3 1981 B7R0.2 CCC(=O)CN(C)C 269982a_100102631434_100000747405 [1,1,0,0,0,0|1,0,0]=3 1982 B7R0.2 CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210202 [1,1,0,0,0,0|0,0,0]=2 1983 B7R0.2 CCC(=O)C[N+](=O)[O-] 1458a_100000210414_100000761209 [1,1,0,0,0,0|2,0,0]=4 1984 B7R0.2 CCC(=O)C[S+](C)C 1458a_200159257847_100000210202 [1,1,0,0,0,0|1,0,0]=3 1985 B7R0.2 CCC(=O)NC(C)C 11a_100138425928_100000210414 [1,1,0,0,0,0|1,0,0]=3 1986 B7R0.2 CCC(=O)NC(C)C 1626a_100138425928_100000210414 [1,1,0,0,0,0|1,0,0]=3 1987 B7R0.2 CCC(=O)NC(C)C 240690a_100138425928_100000210414 [1,1,0,0,0,0|1,0,0]=3 1988 B7R0.2 CCC(=O)NC(C)C 527a_100138425928_100000210414 [1,1,0,0,0,0|1,0,0]=3 1989 B7R0.2 CCC(C)OC(C)C 34a_100000212225_100011215416 [1,1,0,0,0,0|1,0,1]=4 1990 B7R0.2 CCC(C)OC(C)C 7a_100000210228_100000210206 [1,1,0,0,0,0|1,0,1]=4 1991 B7R0.2 CCN(C)CC(C)C 2230a_100000225621_100000210760 [1,1,0,0,0,0|2,0,0]=4 1992 B7R0.2 CCN(C)CC(C)C 2230a_100000738554_200000210301 [1,1,0,0,0,0|2,0,0]=4 1993 B7R0.2 CCN(C)CC(C)C 2230a_100000747067_100000210202 [1,1,0,0,0,0|2,0,0]=4 1994 B7R0.2 CCN(C)CC(C)C 269982a_100000225621_100000210624 [1,1,0,0,0,0|2,0,0]=4 1995 B7R0.2 CCN(C)CC(C)C 269982a_100000738554_200000210301 [1,1,0,0,0,0|2,0,0]=4 1996 B7R0.2 CCN(C)CC(C)C 269982a_100000747067_100000204670 [1,1,0,0,0,0|2,0,0]=4 1997 B7R0.2 CCN(C)CC(C)O 2230a_100000225621_100011218427 [1,1,0,0,0,0|2,0,0]=4 1998 B7R0.2 CCN(C)CC(C)O 2230a_100000227577_100000210202 [1,1,0,0,0,0|2,0,0]=4 1999 B7R0.2 CCN(C)CC(C)O 269982a_100000225621_100011218427 [1,1,0,0,0,0|2,0,0]=4 2000 B7R0.2 CCN(C)CC(C)O 269982a_100000227577_100000204670 [1,1,0,0,0,0|2,0,0]=4 2001 B7R0.2 CCN(C)C[C@@H](C)O 2230a_100000225621_100009817552 [1,1,0,0,0,0|2,0,0]=4 2002 B7R0.2 CCN(C)C[C@@H](C)O 269982a_100000225621_100009817552 [1,1,0,0,0,0|2,0,0]=4 2003 B7R0.2 CCN(C)C[C@H](C)O 2230a_100000729506_200000210301 [1,1,0,0,0,0|2,0,0]=4 2004 B7R0.2 CCN(C)C[C@H](C)O 269982a_100000729506_200000210301 [1,1,0,0,0,0|2,0,0]=4 2005 B7R0.2 CCN([13CH3])CC(C)C 2230a_100000738554_200025704644 [1,1,0,0,0,0|2,0,0]=4 2006 B7R0.2 CCN([13CH3])CC(C)C 269982a_100000738554_200025704644 [1,1,0,0,0,0|2,0,0]=4 2007 B7R0.2 CCN([13CH3])C[C@H](C)O 2230a_100000729506_200025704644 [1,1,0,0,0,0|2,0,0]=4 2008 B7R0.2 CCN([13CH3])C[C@H](C)O 269982a_100000729506_200025704644 [1,1,0,0,0,0|2,0,0]=4 2009 B7R0.2 CN(C)CC(=O)CF 1458a_100000750896_100015361967 [1,1,0,0,0,0|2,0,0]=4 2010 B7R0.2 CNC(=O)CC(=O)C 1458a_100000070787_100000183359 [1,1,0,0,0,0|1,0,1]=4 2011 B7R0.2 CNC(=O)CC(C)C 11a_106832991635_100000210554 [1,1,0,0,0,0|1,0,0]=3 2012 B7R0.2 CNC(=O)CC(C)C 1626a_100102657272_100000210554 [1,1,0,0,0,0|1,0,0]=3 2013 B7R0.2 CNC(=O)CC(C)C 240690a_100102657272_100000210554 [1,1,0,0,0,0|1,0,0]=3 2014 B7R0.2 CNC(=O)CC(C)C 527a_100102657272_100000210554 [1,1,0,0,0,0|1,0,0]=3 2015 B7R0.2 CNC(=O)CN(C)C 11a_106832991635_100000750896 [1,1,0,0,0,0|2,0,0]=4 2016 B7R0.2 CNC(=O)CN(C)C 2230a_100000189611_200000210301 [1,1,0,0,0,0|2,0,0]=4 2017 B7R0.2 CNC(=O)CN(C)C 2230a_100102631434_100000183359 [1,1,0,0,0,0|2,0,0]=4 2018 B7R0.2 CNC(=O)CN(C)C 240690a_100102657272_100000750896 [1,1,0,0,0,0|2,0,0]=4 2019 B7R0.2 CNC(=O)CN(C)C 269982a_100102631434_100000183359 [1,1,0,0,0,0|2,0,0]=4 2020 B7R0.2 CNC(=O)CN(C)C 527a_100102657272_100000750896 [1,1,0,0,0,0|2,0,0]=4 2021 B7R0.2 CNC(=O)CN(C)[13CH3] 2230a_100000189611_200025704644 [1,1,0,0,0,0|2,0,0]=4 2022 B7R0.2 CNC(=O)C[C@@H](C)O 240690a_100102657272_100011933948 [1,1,0,0,0,0|1,0,0]=3 2023 B7R0.2 CNC(=O)C[S+](C)C 11a_106832991635_200159257847 [1,1,0,0,0,0|2,0,0]=4 2024 B7R0.2 CNC(=O)C[S+](C)C 1626a_100102657272_200159257847 [1,1,0,0,0,0|2,0,0]=4 2025 B7R0.2 CNC(=O)C[S+](C)C 240690a_100102657272_200159257847 [1,1,0,0,0,0|2,0,0]=4 2026 B7R0.2 CNC(=O)C[S+](C)C 527a_100102657272_200159257847 [1,1,0,0,0,0|2,0,0]=4 2027 B7R0.2 CNC(=O)NC(C)C 2708a_100102657272_100138425928 [1,1,0,0,0,0|2,0,0]=4 2028 B7R0.2 CNC(=O)NC(C)C 2708a_100138425928_106832991635 [1,1,0,0,0,0|2,0,0]=4 2029 B7R0.2 CNC(=O)NC(C)C 273464a_100138425928_100102657272 [1,1,0,0,0,0|2,0,0]=4 2030 B7R0.2 CNC(=O)NC(C)C 512a_100138425928_100102657272 [1,1,0,0,0,0|2,0,0]=4 2031 B7R0.2 CNC(=O)NC(C)C 512a_106832991638_100138425928 [1,1,0,0,0,0|2,0,0]=4 2032 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [1,1,0,0,0,0|0,0,1]=3 2033 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [1,1,0,0,0,0|0,0,1]=3 2034 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [1,1,0,0,0,0|0,0,1]=3 2035 B7R0.2 COC(=O)CN(C)C 2230a_100000198492_200000210301 [1,1,0,0,0,0|1,0,0]=3 2036 B7R0.2 COC(=O)CN(C)C 2230a_100102631434_100000747449 [1,1,0,0,0,0|1,0,0]=3 2037 B7R0.2 COC(=O)CN(C)C 269982a_100102631434_100000747449 [1,1,0,0,0,0|1,0,0]=3 2038 B7R0.2 COC(=O)CN(C)[13CH3] 2230a_100000198492_200025704644 [1,1,0,0,0,0|1,0,0]=3 2039 B7R0.2 COC(C)CC(C)C 34a_100000211805_200000210301 [1,1,0,0,0,0|1,0,1]=4 2040 B7R0.2 COC(C)CC(C)C 34a_100138415774_100000731052 [1,1,0,0,0,0|1,0,1]=4 2041 B7R0.2 COC(C)CC(C)C 7a_100000211805_200000210301 [1,1,0,0,0,0|1,0,1]=4 2042 B7R0.2 C[C@@H](O)CC(=O)CF 1458a_100011933948_100015361967 [1,1,0,0,0,0|1,0,0]=3 2043 B7R0.2 C[S+](C)CC(=O)CF 1458a_200159257847_100015361967 [1,1,0,0,0,0|2,0,0]=4 2044 B7R0.2 O=C(CO)CC(F)F 1458a_100000210174_100011934356 [1,1,0,0,0,0|2,0,0]=4 2045 B7R0.3 C#CC(=O)CCCC 1458a_100000211873_100000210211 [1,1,0,0,0,0|0,0,2]=4 2046 B7R0.3 C#CC(=O)CCCF 1458a_100000211873_100011934791 [1,1,0,0,0,0|0,0,2]=4 2047 B7R0.3 C#CC(=O)CCCO 1458a_100000211873_100011215043 [1,1,0,0,0,0|0,0,2]=4 2048 B7R0.3 C#CC(=O)CCOC 1458a_100000211873_100000233755 [1,1,0,0,0,0|0,0,2]=4 2049 B7R0.3 C#CC(=O)CCSC 1458a_100000211873_100000751147 [1,1,0,0,0,0|0,0,2]=4 2050 B7R0.3 C#CCCC(=O)CC 1458a_100000210414_100000753159 [1,1,0,0,0,0|0,0,1]=3 2051 B7R0.3 C#CCCC(=O)CC 1458a_100000692101_100000210202 [1,1,0,0,0,0|0,0,1]=3 2052 B7R0.3 C#CCCC(=O)CF 1458a_100000692101_100015361967 [1,1,0,0,0,0|1,0,1]=4 2053 B7R0.3 C#CCCC(=O)CO 1458a_100000210174_100000753159 [1,1,0,0,0,0|1,0,1]=4 2054 B7R0.3 C#CCCC(=O)NC 11a_106832991635_100000692101 [1,1,0,0,0,0|1,0,1]=4 2055 B7R0.3 C#CCCC(=O)NC 1626a_100102657272_100000692101 [1,1,0,0,0,0|1,0,1]=4 2056 B7R0.3 C#CCCC(=O)NC 240690a_100102657272_100000692101 [1,1,0,0,0,0|1,0,1]=4 2057 B7R0.3 C#CCCC(=O)NC 527a_100102657272_100000692101 [1,1,0,0,0,0|1,0,1]=4 2058 B7R0.3 C#CCNC(=O)CC 11a_100000212058_100000210414 [1,1,0,0,0,0|0,0,2]=4 2059 B7R0.3 C#CCNC(=O)CC 1626a_100000212058_100000210414 [1,1,0,0,0,0|0,0,2]=4 2060 B7R0.3 C#CCNC(=O)CC 240690a_100000212058_100000210414 [1,1,0,0,0,0|0,0,2]=4 2061 B7R0.3 C#CCNC(=O)CC 527a_100000212058_100000210414 [1,1,0,0,0,0|0,0,2]=4 2062 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [1,1,0,0,0,0|0,0,1]=3 2063 B7R0.3 C/C=C/CC(=O)CO 1458a_100000210174_100102629194 [1,1,0,0,0,0|1,0,1]=4 2064 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [1,1,0,0,0,0|0,0,2]=4 2065 B7R0.3 C=CC(=O)CCCF 1458a_100000185746_100011934791 [1,1,0,0,0,0|0,0,2]=4 2066 B7R0.3 C=CC(=O)CCCO 1458a_100000185746_100011215043 [1,1,0,0,0,0|0,0,2]=4 2067 B7R0.3 C=CC(=O)CCOC 1458a_100000185746_100000233755 [1,1,0,0,0,0|0,0,2]=4 2068 B7R0.3 C=CC(=O)CCSC 1458a_100000185746_100000751147 [1,1,0,0,0,0|0,0,2]=4 2069 B7R0.3 C=CC(=O)NCCC 1626a_100020643023_100000185746 [1,1,0,0,0,0|0,0,2]=4 2070 B7R0.3 C=CC(=O)NCCC 240690a_100020643023_200121576911 [1,1,0,0,0,0|0,0,2]=4 2071 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [1,1,0,0,0,0|0,0,1]=3 2072 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [1,1,0,0,0,0|0,0,1]=3 2073 B7R0.3 C=CCCC(=O)CF 1458a_100000749702_100015361967 [1,1,0,0,0,0|1,0,1]=4 2074 B7R0.3 C=CCCC(=O)CO 1458a_100000210174_100000754431 [1,1,0,0,0,0|1,0,1]=4 2075 B7R0.3 C=CCCC(=O)NC 11a_106832991635_100000749702 [1,1,0,0,0,0|1,0,1]=4 2076 B7R0.3 C=CCCC(=O)NC 1626a_100102657272_100000749702 [1,1,0,0,0,0|1,0,1]=4 2077 B7R0.3 C=CCCC(=O)NC 240690a_100102657272_100000749702 [1,1,0,0,0,0|1,0,1]=4 2078 B7R0.3 C=CCCC(=O)NC 527a_100102657272_100000749702 [1,1,0,0,0,0|1,0,1]=4 2079 B7R0.3 C=CCNC(=O)CC 1626a_100020586998_100000210414 [1,1,0,0,0,0|0,0,2]=4 2080 B7R0.3 C=CCNC(=O)CC 240690a_100020586998_100000210414 [1,1,0,0,0,0|0,0,2]=4 2081 B7R0.3 C=CCNC(=O)CC 527a_100020586998_100000210414 [1,1,0,0,0,0|0,0,2]=4 2082 B7R0.3 CC#CCC(=O)CC 1458a_100000210414_100000748600 [1,1,0,0,0,0|0,0,1]=3 2083 B7R0.3 CC#CCC(=O)CO 1458a_100000210174_100000748600 [1,1,0,0,0,0|1,0,1]=4 2084 B7R0.3 CC(CCCCl)O[13CH3] 34a_200000718107_200025704644 [1,1,0,0,0,0|1,0,1]=4 2085 B7R0.3 CC(CCCCl)O[13CH3] 7a_200000718107_200025704644 [1,1,0,0,0,0|1,0,1]=4 2086 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [1,1,0,0,0,0|0,0,1]=3 2087 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [1,1,0,0,0,0|0,0,1]=3 2088 B7R0.3 CC=CCC(=O)CF 1458a_100121576822_100015361967 [1,1,0,0,0,0|1,0,1]=4 2089 B7R0.3 CC=CCC(=O)CO 1458a_100000210174_100000070051 [1,1,0,0,0,0|1,0,1]=4 2090 B7R0.3 CC=CCC(=O)NC 11a_106832991635_100121576822 [1,1,0,0,0,0|1,0,1]=4 2091 B7R0.3 CC=CCC(=O)NC 1626a_100102657272_100121576822 [1,1,0,0,0,0|1,0,1]=4 2092 B7R0.3 CC=CCC(=O)NC 240690a_100102657272_100121576822 [1,1,0,0,0,0|1,0,1]=4 2093 B7R0.3 CC=CCC(=O)NC 527a_100102657272_100121576822 [1,1,0,0,0,0|1,0,1]=4 2094 B7R0.3 CC=NNC(=O)CC 4a_100000183195_200000210099 [1,1,0,0,0,0|1,0,1]=4 2095 B7R0.3 CCC#CC(=O)CC 1458a_100011827653_100000210202 [1,1,0,0,0,0|0,0,1]=3 2096 B7R0.3 CCC#CC(=O)CF 1458a_100011827653_100015361967 [1,1,0,0,0,0|1,0,1]=4 2097 B7R0.3 CCC(=O)C#CCO 1458a_100000049017_100000210202 [1,1,0,0,0,0|0,0,2]=4 2098 B7R0.3 CCC(=O)C=COC 1458a_100016268678_100000210202 [1,1,0,0,0,0|0,0,2]=4 2099 B7R0.3 CCC(=O)CCC#N 1458a_100000210414_100011215226 [1,1,0,0,0,0|0,0,1]=3 2100 B7R0.3 CCC(=O)CCC#N 1458a_100011934036_100000210202 [1,1,0,0,0,0|0,0,1]=3 2101 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [1,1,0,0,0,0|0,0,0]=2 2102 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [1,1,0,0,0,0|0,0,0]=2 2103 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [1,1,0,0,0,0|0,0,0]=2 2104 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [1,1,0,0,0,0|0,0,0]=2 2105 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [1,1,0,0,0,0|0,0,0]=2 2106 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [1,1,0,0,0,0|0,0,0]=2 2107 B7R0.3 CCC(=O)COCF 34a_100000725409_100015361967 [1,1,0,0,0,0|1,0,0]=3 2108 B7R0.3 CCC(=O)CSCF 62a_100000747405_100015361967 [1,1,0,0,0,0|1,0,0]=3 2109 B7R0.3 CCC(=O)CSCF 62a_100015361967_100000747405 [1,1,0,0,0,0|1,0,0]=3 2110 B7R0.3 CCC(=O)NCC#N 1626a_100000734998_100000210414 [1,1,0,0,0,0|1,0,1]=4 2111 B7R0.3 CCC(=O)NCC#N 527a_100000734998_100000210414 [1,1,0,0,0,0|1,0,1]=4 2112 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [1,1,0,0,0,0|1,0,0]=3 2113 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [1,1,0,0,0,0|1,0,0]=3 2114 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [1,1,0,0,0,0|1,0,0]=3 2115 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [1,1,0,0,0,0|1,0,0]=3 2116 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [1,1,0,0,0,0|1,0,0]=3 2117 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [1,1,0,0,0,0|1,0,0]=3 2118 B7R0.3 CCC(C)CCNC 2230a_100020591266_200000210301 [1,1,0,0,0,0|1,0,1]=4 2119 B7R0.3 CCC(C)CCN[13CH3] 2230a_100020591266_200025704644 [1,1,0,0,0,0|1,0,1]=4 2120 B7R0.3 CCC(C)CCOC 7a_100011215188_200000210301 [1,1,0,0,0,0|1,0,1]=4 2121 B7R0.3 CCC(C)CCO[13CH3] 7a_100011215188_200025704644 [1,1,0,0,0,0|1,0,1]=4 2122 B7R0.3 CCC(C)OCCBr 34a_100000211926_100011215416 [1,1,0,0,0,0|1,0,1]=4 2123 B7R0.3 CCC(C)OCCF 7a_100000210228_100011217306 [1,1,0,0,0,0|1,0,1]=4 2124 B7R0.3 CCC(C)OCCN 34a_100000210304_100011215416 [1,1,0,0,0,0|1,0,1]=4 2125 B7R0.3 CCC(C)OCCO 7a_100000210228_100000211926 [1,1,0,0,0,0|1,0,1]=4 2126 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [1,1,0,0,0,0|0,0,1]=3 2127 B7R0.3 CCC=CC(=O)CF 1458a_100000212282_100015361967 [1,1,0,0,0,0|1,0,1]=4 2128 B7R0.3 CCC=CC(=O)NC 11a_106832991635_100000212282 [1,1,0,0,0,0|1,0,1]=4 2129 B7R0.3 CCC=CC(=O)NC 1626a_100102657272_100000212282 [1,1,0,0,0,0|1,0,1]=4 2130 B7R0.3 CCC=CC(=O)NC 240690a_100102657272_100000212282 [1,1,0,0,0,0|1,0,1]=4 2131 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [1,1,0,0,0,0|0,0,0]=2 2132 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [1,1,0,0,0,0|0,0,0]=2 2133 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [1,1,0,0,0,0|1,0,0]=3 2134 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [1,1,0,0,0,0|1,0,0]=3 2135 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [1,1,0,0,0,0|1,0,0]=3 2136 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [1,1,0,0,0,0|1,0,0]=3 2137 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [1,1,0,0,0,0|1,0,0]=3 2138 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [1,1,0,0,0,0|1,0,0]=3 2139 B7R0.3 CCCCC(C)OC 34a_100000687866_200000210301 [1,1,0,0,0,0|1,0,1]=4 2140 B7R0.3 CCCCC(C)OC 34a_100138415774_200011215066 [1,1,0,0,0,0|1,0,1]=4 2141 B7R0.3 CCCCC(C)OC 7a_100000687866_200000210301 [1,1,0,0,0,0|1,0,1]=4 2142 B7R0.3 CCCCC(C)O[13CH3] 34a_100000687866_200025704644 [1,1,0,0,0,0|1,0,1]=4 2143 B7R0.3 CCCCC(C)O[13CH3] 7a_100000687866_200025704644 [1,1,0,0,0,0|1,0,1]=4 2144 B7R0.3 CCCCN(C)CC 2230a_100000207549_100000210202 [1,1,0,0,0,0|2,0,0]=4 2145 B7R0.3 CCCCN(C)CC 2230a_100000207695_200000210301 [1,1,0,0,0,0|2,0,0]=4 2146 B7R0.3 CCCCN(C)CC 2230a_100000225621_100000210211 [1,1,0,0,0,0|2,0,0]=4 2147 B7R0.3 CCCCN(C)CC 269982a_100000207549_100000204670 [1,1,0,0,0,0|2,0,0]=4 2148 B7R0.3 CCCCN(C)CC 269982a_100000207695_200000210301 [1,1,0,0,0,0|2,0,0]=4 2149 B7R0.3 CCCCN(C)CC 269982a_100000225621_100000210211 [1,1,0,0,0,0|2,0,0]=4 2150 B7R0.3 CCCCN([13CH3])CC 2230a_100000207695_200025704644 [1,1,0,0,0,0|2,0,0]=4 2151 B7R0.3 CCCCN([13CH3])CC 269982a_100000207695_200025704644 [1,1,0,0,0,0|2,0,0]=4 2152 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [1,1,0,0,0,0|0,0,0]=2 2153 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [1,1,0,0,0,0|0,0,0]=2 2154 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [1,1,0,0,0,0|0,0,0]=2 2155 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [1,1,0,0,0,0|0,0,0]=2 2156 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [1,1,0,0,0,0|1,0,0]=3 2157 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [1,1,0,0,0,0|1,0,0]=3 2158 B7R0.3 CCCNC(=O)NC 2708a_100020643023_106832991635 [1,1,0,0,0,0|1,0,0]=3 2159 B7R0.3 CCCNC(=O)NC 2708a_100102657272_100020643023 [1,1,0,0,0,0|1,0,0]=3 2160 B7R0.3 CCCNC(=O)NC 273464a_100020643023_100102657272 [1,1,0,0,0,0|1,0,0]=3 2161 B7R0.3 CCCNC(=O)NC 273464a_100102657272_100020643023 [1,1,0,0,0,0|1,0,0]=3 2162 B7R0.3 CCCNC(=O)NC 512a_100020643023_100102657272 [1,1,0,0,0,0|1,0,0]=3 2163 B7R0.3 CCCNC(=O)NC 512a_106832991638_100020643023 [1,1,0,0,0,0|1,0,0]=3 2164 B7R0.3 CCCNC(C)CC 2230a_100000209981_100000210303 [1,1,0,0,0,0|1,0,1]=4 2165 B7R0.3 CCCOC(C)CC 34a_100000210258_100011215416 [1,1,0,0,0,0|1,0,1]=4 2166 B7R0.3 CCCOC(C)CC 7a_100000210228_100000210303 [1,1,0,0,0,0|1,0,1]=4 2167 B7R0.3 CCCSC(C)CC 62a_100000210303_100000758301 [1,1,0,0,0,0|1,0,1]=4 2168 B7R0.3 CCCSC(C)CC 62a_100000758301_100000210303 [1,1,0,0,0,0|1,0,1]=4 2169 B7R0.3 CCCSC(C)OC 62a_100000210303_100009879195 [1,1,0,0,0,0|1,0,1]=4 2170 B7R0.3 CCCSC(C)OC 62a_100009879195_100000210303 [1,1,0,0,0,0|1,0,1]=4 2171 B7R0.3 CCN(C)CCCF 2230a_100000225621_100011934791 [1,1,0,0,0,0|2,0,0]=4 2172 B7R0.3 CCN(C)CCCF 269982a_100000225621_100011934791 [1,1,0,0,0,0|2,0,0]=4 2173 B7R0.3 CCN(C)CCCO 2230a_100000213112_100000210202 [1,1,0,0,0,0|2,0,0]=4 2174 B7R0.3 CCN(C)CCCO 2230a_100000225621_100000230001 [1,1,0,0,0,0|2,0,0]=4 2175 B7R0.3 CCN(C)CCCO 269982a_100000213112_100000204670 [1,1,0,0,0,0|2,0,0]=4 2176 B7R0.3 CCN(C)CCCO 269982a_100000225621_100011215043 [1,1,0,0,0,0|2,0,0]=4 2177 B7R0.3 CCN(C)CCOC 2230a_100000225621_100011201679 [1,1,0,0,0,0|2,0,0]=4 2178 B7R0.3 CCN(C)CCOC 2230a_100000731262_200000210301 [1,1,0,0,0,0|2,0,0]=4 2179 B7R0.3 CCN(C)CCOC 2230a_100000743101_100000210202 [1,1,0,0,0,0|2,0,0]=4 2180 B7R0.3 CCN(C)CCOC 269982a_100000225621_100000233755 [1,1,0,0,0,0|2,0,0]=4 2181 B7R0.3 CCN(C)CCOC 269982a_100000731262_200000210301 [1,1,0,0,0,0|2,0,0]=4 2182 B7R0.3 CCN(C)CCOC 269982a_100000743101_100000204670 [1,1,0,0,0,0|2,0,0]=4 2183 B7R0.3 CCN(C)CCSC 2230a_100000225621_100000751147 [1,1,0,0,0,0|2,0,0]=4 2184 B7R0.3 CCN(C)CCSC 2230a_100000686725_100000210202 [1,1,0,0,0,0|2,0,0]=4 2185 B7R0.3 CCN(C)CCSC 269982a_100000225621_100000212216 [1,1,0,0,0,0|2,0,0]=4 2186 B7R0.3 CCN(C)CCSC 269982a_100000686725_100000204670 [1,1,0,0,0,0|2,0,0]=4 2187 B7R0.3 CCN([13CH3])CCOC 2230a_100000731262_200025704644 [1,1,0,0,0,0|2,0,0]=4 2188 B7R0.3 CCN([13CH3])CCOC 269982a_100000731262_200025704644 [1,1,0,0,0,0|2,0,0]=4 2189 B7R0.3 CCNCC(=O)NC 2230a_100000693194_100000210202 [1,1,0,0,0,0|1,0,0]=3 2190 B7R0.3 CCNCC(=O)NC 2230a_100015525214_100000183359 [1,1,0,0,0,0|1,0,0]=3 2191 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [1,1,0,0,0,0|0,0,0]=2 2192 B7R0.3 CCNCC(C)CC 2230a_100015525214_100000748023 [1,1,0,0,0,0|1,0,1]=4 2193 B7R0.3 CCNCC(C)CC 2230a_100020588543_100000210202 [1,1,0,0,0,0|1,0,1]=4 2194 B7R0.3 CCNCC(C)CC 270004a_100015525214_100000243153 [1,1,0,0,0,0|1,0,1]=4 2195 B7R0.3 CCNCC(O)CC 2230a_100011218483_100000210202 [1,1,0,0,0,0|0,0,2]=4 2196 B7R0.3 CCNCC(O)CC 2230a_100015525214_100011218378 [1,1,0,0,0,0|0,0,2]=4 2197 B7R0.3 CCNC[C@@H](C)CC 2230a_100015525214_100009816398 [1,1,0,0,0,0|1,0,1]=4 2198 B7R0.3 CCNC[C@@H](C)OC 2230a_100020591295_100000210202 [1,1,0,0,0,0|1,0,1]=4 2199 B7R0.3 CCNNC(=O)CC 22a_100000756455_100000210414 [1,1,0,0,0,0|1,0,0]=3 2200 B7R0.3 CCNNC(=O)CO 22a_100000756455_100000210174 [1,1,0,0,0,0|2,0,0]=4 2201 B7R0.3 CCNNC(=O)NC 273464a_100102657272_100000756455 [1,1,0,0,0,0|2,0,0]=4 2202 B7R0.3 CCNNC(=O)NC 512a_100000756455_100102657272 [1,1,0,0,0,0|2,0,0]=4 2203 B7R0.3 CCNNC(=O)NC 512a_106832991638_100000756455 [1,1,0,0,0,0|2,0,0]=4 2204 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [1,1,0,0,0,0|0,0,0]=2 2205 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [1,1,0,0,0,0|0,0,0]=2 2206 B7R0.3 CCOCC(=O)CF 1458a_100000211967_100015361967 [1,1,0,0,0,0|1,0,0]=3 2207 B7R0.3 CCOCC(=O)NC 11a_106832991635_100000211967 [1,1,0,0,0,0|1,0,0]=3 2208 B7R0.3 CCOCC(=O)NC 1626a_100102657272_100000211967 [1,1,0,0,0,0|1,0,0]=3 2209 B7R0.3 CCOCC(=O)NC 240690a_100102657272_100000211967 [1,1,0,0,0,0|1,0,0]=3 2210 B7R0.3 CCOCC(=O)NC 34a_100000750040_100000210202 [1,1,0,0,0,0|1,0,0]=3 2211 B7R0.3 CCOCC(=O)NC 34a_100121572206_100000183359 [1,1,0,0,0,0|1,0,0]=3 2212 B7R0.3 CCOCC(=O)NC 527a_100102657272_100000211967 [1,1,0,0,0,0|1,0,0]=3 2213 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [1,1,0,0,0,0|0,0,0]=2 2214 B7R0.3 CCOCC(C)CC 34a_100121572206_100000748023 [1,1,0,0,0,0|1,0,1]=4 2215 B7R0.3 CCOCC(C)OC 34a_100000690652_100000210202 [1,1,0,0,0,0|1,0,1]=4 2216 B7R0.3 CCOCC(C)OC 34a_100000718985_200000210301 [1,1,0,0,0,0|1,0,1]=4 2217 B7R0.3 CCOCC(C)OC 7a_100000718985_200000210301 [1,1,0,0,0,0|1,0,1]=4 2218 B7R0.3 CCOCC(C)O[13CH3] 34a_100000718985_200025704644 [1,1,0,0,0,0|1,0,1]=4 2219 B7R0.3 CCOCC(C)O[13CH3] 7a_100000718985_200025704644 [1,1,0,0,0,0|1,0,1]=4 2220 B7R0.3 CCOCC(O)CC 34a_100121572206_100011218378 [1,1,0,0,0,0|0,0,2]=4 2221 B7R0.3 CCOCN(C)CC 269982a_100000225621_100000739092 [1,1,0,0,0,0|2,0,0]=4 2222 B7R0.3 CCOC[C@@H](C)CC 34a_100121572206_100009816398 [1,1,0,0,0,0|1,0,1]=4 2223 B7R0.3 CCOC[C@@H](C)CC 7a_100009816381_100000210202 [1,1,0,0,0,0|1,0,1]=4 2224 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [1,1,0,0,0,0|0,0,0]=2 2225 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [1,1,0,0,0,0|0,0,0]=2 2226 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [1,1,0,0,0,0|0,0,0]=2 2227 B7R0.3 CCSCC(=O)CF 1458a_100000230394_100015361967 [1,1,0,0,0,0|1,0,0]=3 2228 B7R0.3 CCSCC(=O)NC 11a_106832991635_100000230394 [1,1,0,0,0,0|1,0,0]=3 2229 B7R0.3 CCSCC(=O)NC 1626a_100102657272_100000230394 [1,1,0,0,0,0|1,0,0]=3 2230 B7R0.3 CCSCC(=O)NC 240690a_100102657272_100000230394 [1,1,0,0,0,0|1,0,0]=3 2231 B7R0.3 CCSCC(=O)NC 527a_100102657272_100000230394 [1,1,0,0,0,0|1,0,0]=3 2232 B7R0.3 CCSCC(=O)NC 62a_100000183359_100000210202 [1,1,0,0,0,0|1,0,0]=3 2233 B7R0.3 CCSCC(=O)NC 62a_100000210202_100000183359 [1,1,0,0,0,0|1,0,0]=3 2234 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [1,1,0,0,0,0|0,0,0]=2 2235 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [1,1,0,0,0,0|0,0,0]=2 2236 B7R0.3 CCSCC(C)CC 62a_100000210202_100000748023 [1,1,0,0,0,0|1,0,1]=4 2237 B7R0.3 CCSCC(C)CC 62a_100000748023_100000210202 [1,1,0,0,0,0|1,0,1]=4 2238 B7R0.3 CCSCC(O)CC 62a_100000210202_100011218378 [1,1,0,0,0,0|0,0,2]=4 2239 B7R0.3 CCSCC(O)CC 62a_100011218378_100000210202 [1,1,0,0,0,0|0,0,2]=4 2240 B7R0.3 CCSC[C@@H](C)CC 62a_100000210202_100009816398 [1,1,0,0,0,0|1,0,1]=4 2241 B7R0.3 CCSC[C@@H](C)CC 62a_100009816398_100000210202 [1,1,0,0,0,0|1,0,1]=4 2242 B7R0.3 CNC(=O)CCC#N 11a_106832991635_100011934036 [1,1,0,0,0,0|1,0,1]=4 2243 B7R0.3 CNC(=O)CCC#N 1626a_100102657272_100011934036 [1,1,0,0,0,0|1,0,1]=4 2244 B7R0.3 CNC(=O)CCC#N 240690a_100102657272_100011934036 [1,1,0,0,0,0|1,0,1]=4 2245 B7R0.3 CNC(=O)CCC#N 527a_100102657272_100011934036 [1,1,0,0,0,0|1,0,1]=4 2246 B7R0.3 CNC(=O)CCN[13CH3] 2230a_100000738227_200025704644 [1,1,0,0,0,0|1,0,0]=3 2247 B7R0.3 CNC(=O)CCN[13CH3] 34a_100000738227_200025704644 [1,1,0,0,0,0|1,0,0]=3 2248 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [1,1,0,0,0,0|1,0,0]=3 2249 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [1,1,0,0,0,0|1,0,0]=3 2250 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [1,1,0,0,0,0|1,0,0]=3 2251 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [1,1,0,0,0,0|1,0,0]=3 2252 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [1,1,0,0,0,0|1,0,0]=3 2253 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [1,1,0,0,0,0|1,0,0]=3 2254 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [1,1,0,0,0,0|1,0,0]=3 2255 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [1,1,0,0,0,0|1,0,0]=3 2256 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [1,1,0,0,0,0|1,0,0]=3 2257 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [1,1,0,0,0,0|1,0,0]=3 2258 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [1,1,0,0,0,0|1,0,0]=3 2259 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [1,1,0,0,0,0|1,0,0]=3 2260 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [1,1,0,0,0,0|1,0,0]=3 2261 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [1,1,0,0,0,0|1,0,0]=3 2262 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [1,1,0,0,0,0|1,0,0]=3 2263 B7R0.3 CNC(=O)COCF 34a_100000750040_100015361967 [1,1,0,0,0,0|2,0,0]=4 2264 B7R0.3 CNC(=O)CSCF 62a_100000183359_100015361967 [1,1,0,0,0,0|2,0,0]=4 2265 B7R0.3 CNC(=O)CSCF 62a_100015361967_100000183359 [1,1,0,0,0,0|2,0,0]=4 2266 B7R0.3 CNC(=O)NCCF 2708a_100102657272_100000724931 [1,1,0,0,0,0|2,0,0]=4 2267 B7R0.3 CNC(=O)NCCF 273464a_100000724931_100102657272 [1,1,0,0,0,0|2,0,0]=4 2268 B7R0.3 CNC(=O)NCCF 273464a_100102657272_100000724931 [1,1,0,0,0,0|2,0,0]=4 2269 B7R0.3 CNC(=O)NCCF 512a_106832991638_100000724931 [1,1,0,0,0,0|2,0,0]=4 2270 B7R0.3 CNC(=O)NCCO 2708a_100102657272_100000210304 [1,1,0,0,0,0|2,0,0]=4 2271 B7R0.3 CNC(=O)NCCO 273464a_100000210304_100102657272 [1,1,0,0,0,0|2,0,0]=4 2272 B7R0.3 CNC(=O)NCCO 273464a_100102657272_100000210304 [1,1,0,0,0,0|2,0,0]=4 2273 B7R0.3 CNC(=O)NCCO 512a_106832991638_100000210304 [1,1,0,0,0,0|2,0,0]=4 2274 B7R0.3 CNCCC(=O)NC 2230a_100000738227_200000210301 [1,1,0,0,0,0|1,0,0]=3 2275 B7R0.3 CNCCC(=O)NC 2230a_106832991635_100000737683 [1,1,0,0,0,0|1,0,0]=3 2276 B7R0.3 CNCCC(=O)NC 34a_100000738227_200000210301 [1,1,0,0,0,0|1,0,0]=3 2277 B7R0.3 CNCCC(=O)NC 34a_100102657272_100012179268 [1,1,0,0,0,0|1,0,0]=3 2278 B7R0.3 CNCCC(=O)NC 7a_106832991635_100000737683 [1,1,0,0,0,0|1,0,0]=3 2279 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [1,1,0,0,0,0|0,0,0]=2 2280 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [1,1,0,0,0,0|0,0,0]=2 2281 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [1,1,0,0,0,0|0,0,0]=2 2282 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [1,1,0,0,0,0|0,0,0]=2 2283 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [1,1,0,0,0,0|0,0,0]=2 2284 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [1,1,0,0,0,0|0,0,0]=2 2285 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [1,1,0,0,0,0|0,0,0]=2 2286 B7R0.3 COC(=O)CSCF 62a_100000747449_100015361967 [1,1,0,0,0,0|1,0,0]=3 2287 B7R0.3 COC(=O)CSCF 62a_100015361967_100000747449 [1,1,0,0,0,0|1,0,0]=3 2288 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [1,1,0,0,0,0|1,0,0]=3 2289 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [1,1,0,0,0,0|1,0,0]=3 2290 B7R0.3 COC(C)CCCCl 34a_200000718107_200000210301 [1,1,0,0,0,0|1,0,1]=4 2291 B7R0.3 COC(C)CCCCl 7a_200000718107_200000210301 [1,1,0,0,0,0|1,0,1]=4 2292 B7R0.3 COC(C)CCO[13CH3] 7a_100000764861_200025704644 [1,1,0,0,0,0|1,0,1]=4 2293 B7R0.3 COCCC(=O)CF 1458a_100000749529_100015361967 [1,1,0,0,0,0|1,0,0]=3 2294 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [1,1,0,0,0,0|1,0,0]=3 2295 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [1,1,0,0,0,0|0,0,0]=2 2296 B7R0.3 COCCC(C)OC 7a_100000764861_200000210301 [1,1,0,0,0,0|1,0,1]=4 2297 B7R0.3 CSCCC(=O)CF 1458a_100000174002_100015361967 [1,1,0,0,0,0|1,0,0]=3 2298 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [1,1,0,0,0,0|1,0,0]=3 2299 B7R0.3 N#CCCC(=O)CF 1458a_100011934036_100015361967 [1,1,0,0,0,0|1,0,1]=4 2300 B7R0.3 N#CCCC(=O)CO 1458a_100000210174_100011215226 [1,1,0,0,0,0|1,0,1]=4 2301 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [1,1,0,0,0,0|1,0,0]=3 2302 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [1,1,0,0,0,0|1,0,0]=3 2303 B7R0.3 O=C(CO)NCCF 240690a_100000724931_100000210174 [1,1,0,0,0,0|2,0,0]=4 2304 B7R0.3 O=C(CO)NCCF 527a_100000724931_100000210174 [1,1,0,0,0,0|2,0,0]=4 2305 B7R0.3 O=C(CO)NCCO 240690a_100000210304_100000210174 [1,1,0,0,0,0|2,0,0]=4 2306 B7R0.3 O=C(CO)NCCO 527a_100000210304_100000210174 [1,1,0,0,0,0|2,0,0]=4 2307 B7R0.5 C#CCC(=O)C(C)C 1458a_100000210198_100000184674 [1,1,0,0,0,0|0,0,2]=4 2308 B7R0.5 C#CCC(=O)C(C)C 1458a_100011220946_100000210206 [1,1,0,0,0,0|0,0,2]=4 2309 B7R0.5 C#CCC(=O)C(C)F 1458a_100000062450_100000184674 [1,1,0,0,0,0|0,0,2]=4 2310 B7R0.5 C#CCC(=O)[C@@H](C)O 1458a_100000717761_100000184674 [1,1,0,0,0,0|0,0,2]=4 2311 B7R0.5 C#CCC(=O)[C@H](C)O 1458a_217856618621_100000184674 [1,1,0,0,0,0|0,0,2]=4 2312 B7R0.5 C=C(C)C(=O)CCC 1458a_100000185857_100000210303 [1,1,0,0,0,0|0,0,1]=3 2313 B7R0.5 C=C(C)C(=O)CCF 1458a_100000185857_100011217306 [1,1,0,0,0,0|1,0,1]=4 2314 B7R0.5 C=C(C)C(=O)CCO 1458a_100000185857_100000211926 [1,1,0,0,0,0|1,0,1]=4 2315 B7R0.5 C=C(C)C(=O)NCC 11a_100015525214_100000185857 [1,1,0,0,0,0|1,0,1]=4 2316 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210193_100000210206 [1,1,0,0,0,0|0,0,2]=4 2317 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210198_100000210623 [1,1,0,0,0,0|0,0,2]=4 2318 B7R0.5 C=CCC(=O)C(C)F 1458a_100000062450_100000210623 [1,1,0,0,0,0|0,0,2]=4 2319 B7R0.5 C=CCC(=O)[C@@H](C)O 1458a_100000717761_100000210623 [1,1,0,0,0,0|0,0,2]=4 2320 B7R0.5 C=CCC(=O)[C@H](C)O 1458a_217856618621_100000210623 [1,1,0,0,0,0|0,0,2]=4 2321 B7R0.5 CC#CC(=O)C(C)C 1458a_100000763181_100000210206 [1,1,0,0,0,0|0,0,2]=4 2322 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_100011261029_200025704644 [1,1,0,0,0,0|1,0,1]=4 2323 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_200025704644_100011261029 [1,1,0,0,0,0|1,0,1]=4 2324 B7R0.5 CC(C)C(=O)CC#N 1458a_100000210198_100011214920 [1,1,0,0,0,0|1,0,1]=4 2325 B7R0.5 CC(C)C(=O)CC#N 1458a_100051588842_100000210206 [1,1,0,0,0,0|1,0,1]=4 2326 B7R0.5 CC(C)C(=O)CCF 1458a_100000210198_100011217306 [1,1,0,0,0,0|1,0,0]=3 2327 B7R0.5 CC(C)C(=O)CCO 1458a_100000210198_100000211926 [1,1,0,0,0,0|1,0,0]=3 2328 B7R0.5 CC(C)C(=O)CCO 1458a_100011216618_100000210206 [1,1,0,0,0,0|1,0,0]=3 2329 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_100000753385_200025704644 [1,1,0,0,0,0|1,0,0]=3 2330 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_200025704644_100000753385 [1,1,0,0,0,0|1,0,0]=3 2331 B7R0.5 CC(F)C(=O)CC#N 1458a_100000062450_100011214920 [1,1,0,0,0,0|1,0,1]=4 2332 B7R0.5 CC(F)C(=O)CCF 1458a_100000062450_100011217306 [1,1,0,0,0,0|1,0,0]=3 2333 B7R0.5 CC(F)C(=O)CCO 1458a_100000062450_100000211926 [1,1,0,0,0,0|1,0,0]=3 2334 B7R0.5 CC=CC(=O)C(C)C 1458a_100000210699_100000210206 [1,1,0,0,0,0|0,0,2]=4 2335 B7R0.5 CCCC(=O)C(C)C 1458a_100000210198_100000210303 [1,1,0,0,0,0|0,0,0]=2 2336 B7R0.5 CCCC(=O)C(C)C 1458a_100000211992_100000210206 [1,1,0,0,0,0|0,0,0]=2 2337 B7R0.5 CCCC(=O)C(C)F 1458a_100000062450_100000210303 [1,1,0,0,0,0|0,0,0]=2 2338 B7R0.5 CCCC(=O)C(O)O 1458a_100000233687_100000210303 [1,1,0,0,0,0|1,0,0]=3 2339 B7R0.5 CCCC(=O)N(C)C 11a_100102631434_100000211992 [1,1,0,0,0,0|1,0,0]=3 2340 B7R0.5 CCCC(=O)N(C)C 1626a_100102631434_100000211992 [1,1,0,0,0,0|1,0,0]=3 2341 B7R0.5 CCCC(=O)N(C)C 240690a_100102631434_100000211992 [1,1,0,0,0,0|1,0,0]=3 2342 B7R0.5 CCCC(=O)N(C)C 527a_100102631434_100000211992 [1,1,0,0,0,0|1,0,0]=3 2343 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [1,1,0,0,0,0|0,0,0]=2 2344 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [1,1,0,0,0,0|0,0,0]=2 2345 B7R0.5 CCCN(C)C(C)C 2230a_100000747261_100000210206 [1,1,0,0,0,0|2,0,0]=4 2346 B7R0.5 CCCN(C)C(C)C 2230a_106256033942_200000210301 [1,1,0,0,0,0|2,0,0]=4 2347 B7R0.5 CCCN(C)C(C)C 269982a_100000747261_100000210206 [1,1,0,0,0,0|2,0,0]=4 2348 B7R0.5 CCCN(C)C(C)C 269982a_106256033942_200000210301 [1,1,0,0,0,0|2,0,0]=4 2349 B7R0.5 CCCN(C)C(C)C 269982a_200000211004_100000210303 [1,1,0,0,0,0|2,0,0]=4 2350 B7R0.5 CCCN([13CH3])C(C)C 2230a_106256033942_200025704644 [1,1,0,0,0,0|2,0,0]=4 2351 B7R0.5 CCCN([13CH3])C(C)C 269982a_106256033942_200025704644 [1,1,0,0,0,0|2,0,0]=4 2352 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [1,1,0,0,0,0|1,0,1]=4 2353 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [1,1,0,0,0,0|1,0,1]=4 2354 B7R0.5 CCNC(=O)C(C)C 11a_100015525214_100000210198 [1,1,0,0,0,0|1,0,0]=3 2355 B7R0.5 CCNC(=O)C(C)C 240690a_100015525214_100000210198 [1,1,0,0,0,0|1,0,0]=3 2356 B7R0.5 CCNC(=O)C(C)C 527a_100015525214_100000210198 [1,1,0,0,0,0|1,0,0]=3 2357 B7R0.5 CCNC(=O)C(C)F 11a_100015525214_100000062450 [1,1,0,0,0,0|1,0,0]=3 2358 B7R0.5 CCNC(=O)C(C)F 240690a_100015525214_100000062450 [1,1,0,0,0,0|1,0,0]=3 2359 B7R0.5 CCNC(=O)C(C)F 527a_100015525214_100000062450 [1,1,0,0,0,0|1,0,0]=3 2360 B7R0.5 CCNC(=O)C(F)F 11a_100015525214_100000210393 [1,1,0,0,0,0|2,0,0]=4 2361 B7R0.5 CCNC(=O)C(F)F 240690a_100015525214_100000210393 [1,1,0,0,0,0|2,0,0]=4 2362 B7R0.5 CCNC(=O)C(F)F 527a_100015525214_100000210393 [1,1,0,0,0,0|2,0,0]=4 2363 B7R0.5 CCNC(=O)C(O)O 240690a_100015525214_100000233687 [1,1,0,0,0,0|2,0,0]=4 2364 B7R0.5 CCNC(=O)N(C)C 2708a_100015525214_100102631434 [1,1,0,0,0,0|2,0,0]=4 2365 B7R0.5 CCNC(=O)[C@@H](C)O 240690a_100015525214_100000717761 [1,1,0,0,0,0|1,0,0]=3 2366 B7R0.5 CCNC(=O)[C@H](C)O 240690a_100015525214_217856618621 [1,1,0,0,0,0|1,0,0]=3 2367 B7R0.5 CCOC(C)C(C)C 7a_100000748068_100000210202 [1,1,0,0,0,0|1,0,1]=4 2368 B7R0.5 CN(C)C(=O)CCO 240690a_100102631434_100011216618 [1,1,0,0,0,0|2,0,0]=4 2369 B7R0.5 CN(C)C(=O)CN[13CH3] 2230a_100015183351_200025704644 [1,1,0,0,0,0|2,0,0]=4 2370 B7R0.5 CN(C)C(=O)CS[13CH3] 62a_100000692301_200025704644 [1,1,0,0,0,0|2,0,0]=4 2371 B7R0.5 CN(C)C(=O)CS[13CH3] 62a_200025704644_100000692301 [1,1,0,0,0,0|2,0,0]=4 2372 B7R0.5 CNCC(=O)C(=O)C 34a_100102657272_100011261029 [1,1,0,0,0,0|1,0,1]=4 2373 B7R0.5 CNCC(=O)C(C)C 2230a_106832991635_100000753385 [1,1,0,0,0,0|1,0,0]=3 2374 B7R0.5 CNCC(=O)C(C)C 34a_100102657272_100000753385 [1,1,0,0,0,0|1,0,0]=3 2375 B7R0.5 CNCC(=O)C(C)C 7a_106832991635_100000753385 [1,1,0,0,0,0|1,0,0]=3 2376 B7R0.5 CNCC(=O)N(C)C 2230a_100015183351_200000210301 [1,1,0,0,0,0|2,0,0]=4 2377 B7R0.5 CNCC(=O)N(C)C 2230a_106832991635_100000185267 [1,1,0,0,0,0|2,0,0]=4 2378 B7R0.5 CNCC(=O)N(C)C 34a_100102657272_100000692301 [1,1,0,0,0,0|2,0,0]=4 2379 B7R0.5 CNCC(=O)N(C)C 7a_106832991635_100000692301 [1,1,0,0,0,0|2,0,0]=4 2380 B7R0.5 CNNC(=O)C(C)C 22a_100016993582_100000210198 [1,1,0,0,0,0|2,0,0]=4 2381 B7R0.5 CNNC(=O)C(C)F 22a_100016993582_100000062450 [1,1,0,0,0,0|2,0,0]=4 2382 B7R0.5 CNNC(=O)[C@@H](C)O 22a_100016993582_100000717761 [1,1,0,0,0,0|2,0,0]=4 2383 B7R0.5 CNNC(=O)[C@H](C)O 22a_100016993582_217856618621 [1,1,0,0,0,0|2,0,0]=4 2384 B7R0.5 COCC(=O)C(=O)C 34a_100138415774_100011261029 [1,1,0,0,0,0|1,0,1]=4 2385 B7R0.5 COCC(=O)C(C)C 1458a_100000210968_100000210206 [1,1,0,0,0,0|1,0,0]=3 2386 B7R0.5 COCC(=O)C(C)C 34a_100138415774_100000753385 [1,1,0,0,0,0|1,0,0]=3 2387 B7R0.5 COCC(=O)N(C)C 11a_100102631434_100000210968 [1,1,0,0,0,0|2,0,0]=4 2388 B7R0.5 COCC(=O)N(C)C 1626a_100102631434_100000210968 [1,1,0,0,0,0|2,0,0]=4 2389 B7R0.5 COCC(=O)N(C)C 240690a_100102631434_100000210968 [1,1,0,0,0,0|2,0,0]=4 2390 B7R0.5 COCC(=O)N(C)C 34a_100138415774_100000692301 [1,1,0,0,0,0|2,0,0]=4 2391 B7R0.5 COCC(=O)N(C)C 527a_100102631434_100000210968 [1,1,0,0,0,0|2,0,0]=4 2392 B7R0.5 CSCC(=O)C(=O)C 62a_100011261029_200000210301 [1,1,0,0,0,0|1,0,1]=4 2393 B7R0.5 CSCC(=O)C(=O)C 62a_200000210301_100011261029 [1,1,0,0,0,0|1,0,1]=4 2394 B7R0.5 CSCC(=O)C(C)C 1458a_100000184570_100000210206 [1,1,0,0,0,0|1,0,0]=3 2395 B7R0.5 CSCC(=O)C(C)C 62a_100000753385_200000210301 [1,1,0,0,0,0|1,0,0]=3 2396 B7R0.5 CSCC(=O)C(C)C 62a_200000210301_100000753385 [1,1,0,0,0,0|1,0,0]=3 2397 B7R0.5 CSCC(=O)N(C)C 11a_100102631434_100000184570 [1,1,0,0,0,0|2,0,0]=4 2398 B7R0.5 CSCC(=O)N(C)C 1626a_100102631434_100000184570 [1,1,0,0,0,0|2,0,0]=4 2399 B7R0.5 CSCC(=O)N(C)C 240690a_100102631434_100000184570 [1,1,0,0,0,0|2,0,0]=4 2400 B7R0.5 CSCC(=O)N(C)C 527a_100102631434_100000184570 [1,1,0,0,0,0|2,0,0]=4 2401 B7R0.5 CSCC(=O)N(C)C 62a_100000692301_200000210301 [1,1,0,0,0,0|2,0,0]=4 2402 B7R0.5 CSCC(=O)N(C)C 62a_200000210301_100000692301 [1,1,0,0,0,0|2,0,0]=4 2403 B7R0.5 C[C@@H](O)C(=O)CC#N 1458a_100000717761_100011214920 [1,1,0,0,0,0|1,0,1]=4 2404 B7R0.5 C[C@@H](O)C(=O)CCF 1458a_100000717761_100011217306 [1,1,0,0,0,0|1,0,0]=3 2405 B7R0.5 C[C@@H](O)C(=O)CCO 1458a_100000717761_100000211926 [1,1,0,0,0,0|1,0,0]=3 2406 B7R0.5 C[C@H](O)C(=O)CC#N 1458a_217856618621_100011214920 [1,1,0,0,0,0|1,0,1]=4 2407 B7R0.5 C[C@H](O)C(=O)CCF 1458a_217856618621_100011217306 [1,1,0,0,0,0|1,0,0]=3 2408 B7R0.5 C[C@H](O)C(=O)CCO 1458a_217856618621_100000211926 [1,1,0,0,0,0|1,0,0]=3 2409 B7R0.5 O=C(CCF)C(O)O 1458a_100000233687_100011217306 [1,1,0,0,0,0|2,0,0]=4 2410 B7R0.5 O=C(CCO)C(O)O 1458a_100000233687_100000211926 [1,1,0,0,0,0|2,0,0]=4 2411 B7R0.10 C#CC(=O)C(C)CC 1458a_100000211873_100000758301 [1,1,0,0,0,0|0,0,2]=4 2412 B7R0.10 C#CC(C)C(=O)CC 1458a_100000210414_200000035995 [1,1,0,0,0,0|0,0,2]=4 2413 B7R0.10 C/C=C(\C)/C(=O)CC 1458a_100020587367_100000210202 [1,1,0,0,0,0|0,0,2]=4 2414 B7R0.10 C=CC(=O)C(C)CC 1458a_100000185746_100000758301 [1,1,0,0,0,0|0,0,2]=4 2415 B7R0.10 C=CC(C)C(=O)CC 1458a_100011216780_100000210202 [1,1,0,0,0,0|0,0,2]=4 2416 B7R0.10 CCC(=O)C(=O)NC 1458a_100011218921_100000210202 [1,1,0,0,0,0|1,0,1]=4 2417 B7R0.10 CCC(=O)C(C)C#N 1458a_100000210414_100000703298 [1,1,0,0,0,0|1,0,1]=4 2418 B7R0.10 CCC(=O)C(C)C#N 1458a_100000753662_100000210202 [1,1,0,0,0,0|1,0,1]=4 2419 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [1,1,0,0,0,0|0,0,0]=2 2420 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [1,1,0,0,0,0|0,0,0]=2 2421 B7R0.10 CCC(=O)C(C)NC 2230a_106832991635_100000742827 [1,1,0,0,0,0|1,0,0]=3 2422 B7R0.10 CCC(=O)C(C)NC 7a_106832991635_100000742827 [1,1,0,0,0,0|1,0,0]=3 2423 B7R0.10 CCC(=O)C(C)OC 1458a_100000743197_100000210202 [1,1,0,0,0,0|1,0,0]=3 2424 B7R0.10 CCC(=O)C(C)SC 1458a_100000149566_100000210202 [1,1,0,0,0,0|1,0,0]=3 2425 B7R0.10 CCC(=O)C(C)SC 62a_100000742827_200000210301 [1,1,0,0,0,0|1,0,0]=3 2426 B7R0.10 CCC(=O)C(C)SC 62a_200000210301_100000742827 [1,1,0,0,0,0|1,0,0]=3 2427 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_100000742827_200025704644 [1,1,0,0,0,0|1,0,0]=3 2428 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_200025704644_100000742827 [1,1,0,0,0,0|1,0,0]=3 2429 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [1,1,0,0,0,0|0,0,0]=2 2430 B7R0.10 CCC(=O)C(O)CO 1458a_100011215603_100000210202 [1,1,0,0,0,0|1,0,0]=3 2431 B7R0.10 CCC(=O)N(C)CC 11a_100000225621_100000210414 [1,1,0,0,0,0|1,0,0]=3 2432 B7R0.10 CCC(=O)N(C)CC 1626a_100000225621_100000210414 [1,1,0,0,0,0|1,0,0]=3 2433 B7R0.10 CCC(=O)N(C)CC 240690a_100000225621_100000210414 [1,1,0,0,0,0|1,0,0]=3 2434 B7R0.10 CCC(=O)N(C)CC 527a_100000225621_100000210414 [1,1,0,0,0,0|1,0,0]=3 2435 B7R0.10 CCC(C)C(=O)CF 1458a_100011192722_100015361967 [1,1,0,0,0,0|1,0,0]=3 2436 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [1,1,0,0,0,0|1,0,0]=3 2437 B7R0.10 CCC(C)C(=O)NC 11a_106832991635_100011192722 [1,1,0,0,0,0|1,0,0]=3 2438 B7R0.10 CCC(C)C(=O)NC 1626a_100102657272_100011192722 [1,1,0,0,0,0|1,0,0]=3 2439 B7R0.10 CCC(C)C(=O)NC 240690a_100102657272_100011192722 [1,1,0,0,0,0|1,0,0]=3 2440 B7R0.10 CCC(C)C(=O)NC 527a_100102657272_100011192722 [1,1,0,0,0,0|1,0,0]=3 2441 B7R0.10 CCC(C)C(C)OC 7a_100011215189_200000210301 [1,1,0,0,0,0|1,0,1]=4 2442 B7R0.10 CCC(C)C(C)O[13CH3] 7a_100011215189_200025704644 [1,1,0,0,0,0|1,0,1]=4 2443 B7R0.10 CCC(C)N(C)CC 2230a_100000225621_100000758301 [1,1,0,0,0,0|2,0,0]=4 2444 B7R0.10 CCC(C)N(C)CC 2230a_100000732650_200000210301 [1,1,0,0,0,0|2,0,0]=4 2445 B7R0.10 CCC(C)N(C)CC 2230a_100000741768_100000210202 [1,1,0,0,0,0|2,0,0]=4 2446 B7R0.10 CCC(C)N(C)CC 269982a_100000225621_100000758301 [1,1,0,0,0,0|2,0,0]=4 2447 B7R0.10 CCC(C)N(C)CC 269982a_100000732650_200000210301 [1,1,0,0,0,0|2,0,0]=4 2448 B7R0.10 CCC(C)N(C)CC 269982a_100000741768_100000204670 [1,1,0,0,0,0|2,0,0]=4 2449 B7R0.10 CCC(C)N([13CH3])CC 2230a_100000732650_200025704644 [1,1,0,0,0,0|2,0,0]=4 2450 B7R0.10 CCC(C)N([13CH3])CC 269982a_100000732650_200025704644 [1,1,0,0,0,0|2,0,0]=4 2451 B7R0.10 CCC(O)C(=O)CF 1458a_100011196387_100015361967 [1,1,0,0,0,0|1,0,0]=3 2452 B7R0.10 CCC(O)C(=O)NC 240690a_100102657272_100011196387 [1,1,0,0,0,0|1,0,0]=3 2453 B7R0.10 CCN(C)C(=O)CO 240690a_100000225621_100000210174 [1,1,0,0,0,0|2,0,0]=4 2454 B7R0.10 CCN(C)C(=O)CO 527a_100000225621_100000210174 [1,1,0,0,0,0|2,0,0]=4 2455 B7R0.10 CCN(C)C(=O)NC 2708a_100102657272_100000225621 [1,1,0,0,0,0|2,0,0]=4 2456 B7R0.10 CCN(C)C(=O)NC 273464a_100102657272_100000225621 [1,1,0,0,0,0|2,0,0]=4 2457 B7R0.10 CNC(=O)C(=O)OC 11a_106832991635_100000024059 [1,1,0,0,0,0|1,0,1]=4 2458 B7R0.10 CNC(=O)C(=O)OC 1626a_100102657272_100000024059 [1,1,0,0,0,0|1,0,1]=4 2459 B7R0.10 CNC(=O)C(=O)OC 240690a_100102657272_100000024059 [1,1,0,0,0,0|1,0,1]=4 2460 B7R0.10 CNC(=O)C(=O)OC 527a_100102657272_100000024059 [1,1,0,0,0,0|1,0,1]=4 2461 B7R0.10 CNC(=O)C(C)NC 2230a_106832991635_100000731044 [1,1,0,0,0,0|2,0,0]=4 2462 B7R0.10 CNC(=O)C(C)NC 34a_100102657272_100000731044 [1,1,0,0,0,0|2,0,0]=4 2463 B7R0.10 CNC(=O)C(C)NC 7a_106832991635_100000209862 [1,1,0,0,0,0|2,0,0]=4 2464 B7R0.10 CNC(=O)C(C)OC 11a_106832991635_100000743197 [1,1,0,0,0,0|2,0,0]=4 2465 B7R0.10 CNC(=O)C(C)OC 1626a_100102657272_100000743197 [1,1,0,0,0,0|2,0,0]=4 2466 B7R0.10 CNC(=O)C(C)OC 240690a_100102657272_100000743197 [1,1,0,0,0,0|2,0,0]=4 2467 B7R0.10 CNC(=O)C(C)OC 34a_100138415774_100000731044 [1,1,0,0,0,0|2,0,0]=4 2468 B7R0.10 CNC(=O)C(C)OC 527a_100102657272_100000743197 [1,1,0,0,0,0|2,0,0]=4 2469 B7R0.10 CNC(=O)C(C)SC 11a_106832991635_100000149566 [1,1,0,0,0,0|2,0,0]=4 2470 B7R0.10 CNC(=O)C(C)SC 1626a_100102657272_100000149566 [1,1,0,0,0,0|2,0,0]=4 2471 B7R0.10 CNC(=O)C(C)SC 240690a_100102657272_100000149566 [1,1,0,0,0,0|2,0,0]=4 2472 B7R0.10 CNC(=O)C(C)SC 527a_100102657272_100000149566 [1,1,0,0,0,0|2,0,0]=4 2473 B7R0.10 CNC(=O)C(C)SC 62a_100000209862_200000210301 [1,1,0,0,0,0|2,0,0]=4 2474 B7R0.10 CNC(=O)C(C)SC 62a_200000210301_100000731044 [1,1,0,0,0,0|2,0,0]=4 2475 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_100000209862_200025704644 [1,1,0,0,0,0|2,0,0]=4 2476 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_200025704644_100000731044 [1,1,0,0,0,0|2,0,0]=4 2477 B7R0.10 CNC(=O)C(F)NC 2230a_106832991635_100009813575 [1,1,0,0,0,0|2,0,0]=4 2478 B7R0.10 CNC(=O)C(F)NC 34a_100102657272_100009813575 [1,1,0,0,0,0|2,0,0]=4 2479 B7R0.10 CNC(=O)C(F)NC 7a_106832991635_100009813575 [1,1,0,0,0,0|2,0,0]=4 2480 B7R0.10 CNC(=O)C(F)OC 34a_100138415774_100009813575 [1,1,0,0,0,0|2,0,0]=4 2481 B7R0.10 CNC(=O)C(F)SC 62a_100009813575_200000210301 [1,1,0,0,0,0|2,0,0]=4 2482 B7R0.10 CNC(=O)C(F)SC 62a_200000210301_100009813575 [1,1,0,0,0,0|2,0,0]=4 2483 B7R0.10 CNC(=O)C(F)S[13CH3] 62a_100009813575_200025704644 [1,1,0,0,0,0|2,0,0]=4 2484 B7R0.10 CNC(=O)C(F)S[13CH3] 62a_200025704644_100009813575 [1,1,0,0,0,0|2,0,0]=4 2485 B7R0.10 CNC(=O)C(O)CO 240690a_100102657272_100011215603 [1,1,0,0,0,0|2,0,0]=4 2486 B7R0.10 CNC(=O)[C@@H](C)NC 2230a_100000684985_200000210301 [1,1,0,0,0,0|2,0,0]=4 2487 B7R0.10 CNC(=O)[C@@H](C)NC 34a_100000684985_200000210301 [1,1,0,0,0,0|2,0,0]=4 2488 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 2230a_100000684985_200025704644 [1,1,0,0,0,0|2,0,0]=4 2489 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 34a_100000684985_200025704644 [1,1,0,0,0,0|2,0,0]=4 2490 B7R0.10 CNC(C)C(=O)OC 2230a_106832991635_100000211248 [1,1,0,0,0,0|1,0,0]=3 2491 B7R0.10 CNC(C)C(=O)OC 34a_100102657272_100000211248 [1,1,0,0,0,0|1,0,0]=3 2492 B7R0.10 CNC(C)C(=O)OC 7a_106832991635_100000211248 [1,1,0,0,0,0|1,0,0]=3 2493 B7R0.10 COC(=O)C(C)OC 34a_100011215400_200000210301 [1,1,0,0,0,0|1,0,0]=3 2494 B7R0.10 COC(=O)C(C)OC 34a_100138415774_100000211248 [1,1,0,0,0,0|1,0,0]=3 2495 B7R0.10 COC(=O)C(C)O[13CH3] 34a_100011215400_200025704644 [1,1,0,0,0,0|1,0,0]=3 2496 B7R0.10 COC(=O)C(C)SC 62a_100000211248_200000210301 [1,1,0,0,0,0|1,0,0]=3 2497 B7R0.10 COC(=O)C(C)SC 62a_200000210301_100000211248 [1,1,0,0,0,0|1,0,0]=3 2498 B7R0.10 COC(=O)C(C)S[13CH3] 62a_100000211248_200025704644 [1,1,0,0,0,0|1,0,0]=3 2499 B7R0.10 COC(=O)C(C)S[13CH3] 62a_200025704644_100000211248 [1,1,0,0,0,0|1,0,0]=3 2500 B7R0.10 COC(C)C(=O)CF 1458a_100000743197_100015361967 [1,1,0,0,0,0|2,0,0]=4 2501 B7R0.10 CSC(C)C(=O)CF 1458a_100000149566_100015361967 [1,1,0,0,0,0|2,0,0]=4 2502 B7R0.10 O=C(CF)C(O)CO 1458a_100011215603_100015361967 [1,1,0,0,0,0|2,0,0]=4 2503 B7R0.11 CCCC(C)(C)OC 7a_100000748436_200000210301 [1,1,0,0,0,0|1,0,1]=4 2504 B7R0.11 CCCC(C)(C)O[13CH3] 7a_100000748436_200025704644 [1,1,0,0,0,0|1,0,1]=4 2505 B7R0.11 CCCS(=O)(=O)NC 270084a_100102657272_100000211391 [1,1,0,0,0,0|2,0,0]=4 2506 B7R0.11 CCCS(=O)(=O)NC 274078a_100102657272_100000211391 [1,1,0,0,0,0|2,0,0]=4 2507 B7R0.11 CCCS(=O)(=O)NC 40a_100102657272_100000054278 [1,1,0,0,0,0|2,0,0]=4 2508 B7R0.11 CCNS(=O)(=O)CC 270084a_100015525214_100000211323 [1,1,0,0,0,0|2,0,0]=4 2509 B7R0.11 CCNS(=O)(=O)CC 274078a_100015525214_100000211323 [1,1,0,0,0,0|2,0,0]=4 2510 B7R0.11 CCNS(=O)(=O)CC 40a_100015525214_100000053943 [1,1,0,0,0,0|2,0,0]=4 2511 B7R0.11 CCOC(C)(C)CC 7a_100000210230_100000210202 [1,1,0,0,0,0|1,0,1]=4 2512 B7R0.12 C#CC(CC)OCC 34a_100000758843_100000210202 [1,1,0,0,0,0|1,0,1]=4 2513 B7R0.12 C#CC(CC)OCC 7a_100000758843_100000210202 [1,1,0,0,0,0|1,0,1]=4 2514 B7R0.12 C#CC(CCC)OC 34a_200011217317_200000210301 [1,1,0,0,0,0|1,0,1]=4 2515 B7R0.12 C#CC(CCC)OC 7a_200011217317_200000210301 [1,1,0,0,0,0|1,0,1]=4 2516 B7R0.12 C#CC(CCC)O[13CH3] 34a_200011217317_200025704644 [1,1,0,0,0,0|1,0,1]=4 2517 B7R0.12 C#CC(CCC)O[13CH3] 7a_200011217317_200025704644 [1,1,0,0,0,0|1,0,1]=4 2518 B7R0.12 C=CC(CC)OCC 34a_100000766422_100000210202 [1,1,0,0,0,0|1,0,1]=4 2519 B7R0.12 C=CC(CC)OCC 7a_100000766422_100000210202 [1,1,0,0,0,0|1,0,1]=4 2520 B7R0.12 C=CC(CCC)OC 34a_100011216692_200000210301 [1,1,0,0,0,0|1,0,1]=4 2521 B7R0.12 C=CC(CCC)OC 7a_100011216692_200000210301 [1,1,0,0,0,0|1,0,1]=4 2522 B7R0.12 C=CC(CCC)O[13CH3] 34a_100011216692_200025704644 [1,1,0,0,0,0|1,0,1]=4 2523 B7R0.12 C=CC(CCC)O[13CH3] 7a_100011216692_200025704644 [1,1,0,0,0,0|1,0,1]=4 2524 B7R0.12 CCCC(C#N)OC 34a_100000686963_200000210301 [1,1,0,0,0,0|1,0,1]=4 2525 B7R0.12 CCCC(C#N)OC 7a_100000686963_200000210301 [1,1,0,0,0,0|1,0,1]=4 2526 B7R0.12 CCCC(C#N)O[13CH3] 34a_100000686963_200025704644 [1,1,0,0,0,0|1,0,1]=4 2527 B7R0.12 CCCC(C#N)O[13CH3] 7a_100000686963_200025704644 [1,1,0,0,0,0|1,0,1]=4 2528 B7R0.12 CCCC(CC)NC 2230a_100000747048_200000210301 [1,1,0,0,0,0|1,0,1]=4 2529 B7R0.12 CCCC(CC)NC 270004a_106832991635_100000687865 [1,1,0,0,0,0|1,0,1]=4 2530 B7R0.12 CCCC(CC)NC 7a_106832991635_100011219200 [1,1,0,0,0,0|1,0,1]=4 2531 B7R0.12 CCCC(CC)N[13CH3] 2230a_100000747048_200025704644 [1,1,0,0,0,0|1,0,1]=4 2532 B7R0.12 CCCC(CC)OC 34a_100000687864_200000210301 [1,1,0,0,0,0|0,0,2]=4 2533 B7R0.12 CCCC(CC)OC 7a_100000687864_200000210301 [1,1,0,0,0,0|0,0,2]=4 2534 B7R0.12 CCCC(CC)O[13CH3] 34a_100000687864_200025704644 [1,1,0,0,0,0|0,0,2]=4 2535 B7R0.12 CCCC(CC)O[13CH3] 7a_100000687864_200025704644 [1,1,0,0,0,0|0,0,2]=4 2536 B7R0.12 CCCC(CC)SC 62a_100011219200_200000210301 [1,1,0,0,0,0|0,1,1]=4 2537 B7R0.12 CCCC(CC)SC 62a_200000210301_100011219200 [1,1,0,0,0,0|0,1,1]=4 2538 B7R0.12 CCCC(CC)S[13CH3] 62a_100011219200_200025704644 [1,1,0,0,0,0|0,1,1]=4 2539 B7R0.12 CCCC(CC)S[13CH3] 62a_200025704644_100011219200 [1,1,0,0,0,0|0,1,1]=4 2540 B7R0.12 CCCN(CC)CC 2230a_100000226822_100000210202 [1,1,0,0,0,0|2,0,0]=4 2541 B7R0.12 CCCN(CC)CC 2230a_100000724800_100000210303 [1,1,0,0,0,0|2,0,0]=4 2542 B7R0.12 CCCN(CC)CC 269956a_100000042499_100000210207 [1,1,0,0,0,0|2,0,0]=4 2543 B7R0.12 CCCN(CC)CC 269982a_100000226822_100000204670 [1,1,0,0,0,0|2,0,0]=4 2544 B7R0.12 CCCN(CC)CC 269982a_100000724800_100000210303 [1,1,0,0,0,0|2,0,0]=4 2545 B7R0.12 CCCN(CC)CF 269982a_100000226822_100015361967 [1,1,0,0,0,0|2,0,0]=4 2546 B7R0.12 CCOC(CC)CC 7a_100000688536_100000210202 [1,1,0,0,0,0|1,0,1]=4 2547 B7R0.1 C#CCCCOCC 34a_100000215630_100000210202 [1,1,0,0,0,0|0,0,2]=4 2548 B7R0.1 C#CCCCOCC 34a_100121572206_100000695029 [1,1,0,0,0,0|0,0,2]=4 2549 B7R0.1 C#CCCCOCC 7a_100000215630_100000210202 [1,1,0,0,0,0|0,0,2]=4 2550 B7R0.1 C#CCOCCCC 34a_100000210227_100000184674 [1,1,0,0,0,0|0,0,2]=4 2551 B7R0.1 C#CCOCCCC 34a_100000210247_100000210210 [1,1,0,0,0,0|0,0,2]=4 2552 B7R0.1 C#CCOCCCC 7a_100000210227_100000038162 [1,1,0,0,0,0|0,0,2]=4 2553 B7R0.1 C/C=C/CCOCC 34a_100016278192_100000210202 [1,1,0,0,0,0|0,0,2]=4 2554 B7R0.1 C=CCCCOCC 34a_100000758997_100000210202 [1,1,0,0,0,0|0,0,2]=4 2555 B7R0.1 C=CCCCOCC 34a_100121572206_100000757094 [1,1,0,0,0,0|0,0,2]=4 2556 B7R0.1 C=CCCCOCC 7a_100000758997_100000210202 [1,1,0,0,0,0|0,0,2]=4 2557 B7R0.1 C=CCOCCCC 34a_100000210227_100015514636 [1,1,0,0,0,0|0,0,2]=4 2558 B7R0.1 C=CCOCCCC 34a_200000210373_100000210210 [1,1,0,0,0,0|0,0,2]=4 2559 B7R0.1 C=CCOCCCC 7a_100000210227_100015514636 [1,1,0,0,0,0|0,0,2]=4 2560 B7R0.1 CC#CCCOCC 34a_100000750427_100000210202 [1,1,0,0,0,0|0,0,2]=4 2561 B7R0.1 CC/C=C\CCNC 2230a_106832991635_100015370543 [1,1,0,0,0,0|1,0,0]=3 2562 B7R0.1 CC/C=C\CCNC 34a_100102657272_100015370543 [1,1,0,0,0,0|1,0,0]=3 2563 B7R0.1 CC/C=C\CCNC 7a_106832991635_100015370543 [1,1,0,0,0,0|1,0,0]=3 2564 B7R0.1 CC/C=C\CCOC 34a_100016288707_200000210301 [1,1,0,0,0,0|1,0,0]=3 2565 B7R0.1 CC/C=C\CCOC 34a_100138415774_100015370543 [1,1,0,0,0,0|1,0,0]=3 2566 B7R0.1 CC/C=C\CCOC 7a_100016288707_200000210301 [1,1,0,0,0,0|1,0,0]=3 2567 B7R0.1 CC/C=C\CCO[13CH3] 34a_100016288707_200025704644 [1,1,0,0,0,0|1,0,0]=3 2568 B7R0.1 CC/C=C\CCO[13CH3] 7a_100016288707_200025704644 [1,1,0,0,0,0|1,0,0]=3 2569 B7R0.1 CC/C=C\CCSC 62a_100015370543_200000210301 [1,1,0,0,0,0|1,0,0]=3 2570 B7R0.1 CC/C=C\CCSC 62a_200000210301_100015370543 [1,1,0,0,0,0|1,0,0]=3 2571 B7R0.1 CC/C=C\CCS[13CH3] 62a_100015370543_200025704644 [1,1,0,0,0,0|1,0,0]=3 2572 B7R0.1 CC/C=C\CCS[13CH3] 62a_200025704644_100015370543 [1,1,0,0,0,0|1,0,0]=3 2573 B7R0.1 CC/C=C\CNCC 2230a_100015525214_100103147603 [1,1,0,0,0,0|1,0,0]=3 2574 B7R0.1 CC/C=C\COCC 34a_100016268518_100000210202 [1,1,0,0,0,0|0,0,1]=3 2575 B7R0.1 CC/C=C\COCC 34a_100121572206_100103147603 [1,1,0,0,0,0|0,0,1]=3 2576 B7R0.1 CC/C=C\COCF 34a_100016268518_100015361967 [1,1,0,0,0,0|1,0,1]=4 2577 B7R0.1 CC/C=C\CSCC 62a_100000210202_100103147603 [1,1,0,0,0,0|1,0,0]=3 2578 B7R0.1 CC/C=C\CSCC 62a_100103147603_100000210202 [1,1,0,0,0,0|1,0,0]=3 2579 B7R0.1 CC/C=C\CSCF 62a_100015361967_100103147603 [1,1,0,0,0,0|2,0,0]=4 2580 B7R0.1 CC/C=C\CSCF 62a_100103147603_100015361967 [1,1,0,0,0,0|2,0,0]=4 2581 B7R0.1 CC=C=CCCOC 34a_100011020354_200000210301 [1,1,0,0,0,0|1,0,1]=4 2582 B7R0.1 CC=C=CCCO[13CH3] 34a_100011020354_200025704644 [1,1,0,0,0,0|1,0,1]=4 2583 B7R0.1 CCC#CCCOC 34a_100000036655_200000210301 [1,1,0,0,0,0|1,0,1]=4 2584 B7R0.1 CCC#CCCOC 7a_100000036655_200000210301 [1,1,0,0,0,0|1,0,1]=4 2585 B7R0.1 CCC#CCCO[13CH3] 34a_100000036655_200025704644 [1,1,0,0,0,0|1,0,1]=4 2586 B7R0.1 CCC#CCCO[13CH3] 7a_100000036655_200025704644 [1,1,0,0,0,0|1,0,1]=4 2587 B7R0.1 CCC#CCNCC 2230a_100015525214_100009813939 [1,1,0,0,0,0|1,0,1]=4 2588 B7R0.1 CCC#CCOCC 34a_100000032950_100000210202 [1,1,0,0,0,0|0,0,2]=4 2589 B7R0.1 CCC#CCOCC 34a_100121572206_100009813939 [1,1,0,0,0,0|0,0,2]=4 2590 B7R0.1 CCC#CCSCC 62a_100000210202_100009813939 [1,1,0,0,0,0|1,0,1]=4 2591 B7R0.1 CCC#CCSCC 62a_100009813939_100000210202 [1,1,0,0,0,0|1,0,1]=4 2592 B7R0.1 CCC/C=C/COC 34a_100016278788_200000210301 [1,1,0,0,0,0|1,0,0]=3 2593 B7R0.1 CCC/C=C/COC 7a_100016278788_200000210301 [1,1,0,0,0,0|1,0,0]=3 2594 B7R0.1 CCC/C=C/CO[13CH3] 34a_100016278788_200025704644 [1,1,0,0,0,0|1,0,0]=3 2595 B7R0.1 CCC/C=C/CO[13CH3] 7a_100016278788_200025704644 [1,1,0,0,0,0|1,0,0]=3 2596 B7R0.1 CCC=NNCCC 4a_100000740057_100000210100 [1,1,0,0,0,0|2,0,0]=4 2597 B7R0.1 CCCC#CCOC 34a_100000034806_200000210301 [1,1,0,0,0,0|1,0,1]=4 2598 B7R0.1 CCCC#CCOC 7a_100000034806_200000210301 [1,1,0,0,0,0|1,0,1]=4 2599 B7R0.1 CCCC#CCO[13CH3] 34a_100000034806_200025704644 [1,1,0,0,0,0|1,0,1]=4 2600 B7R0.1 CCCC#CCO[13CH3] 7a_100000034806_200025704644 [1,1,0,0,0,0|1,0,1]=4 2601 B7R0.1 CCCC=NNCC 4a_100000756455_100000185831 [1,1,0,0,0,0|1,0,0]=3 2602 B7R0.1 CCCCCCNC 2230a_100000210581_200000210301 [1,1,0,0,0,0|1,0,1]=4 2603 B7R0.1 CCCCCCNC 2230a_106832991635_100000210314 [1,1,0,0,0,0|1,0,1]=4 2604 B7R0.1 CCCCCCNC 34a_100102657272_100000210314 [1,1,0,0,0,0|1,0,1]=4 2605 B7R0.1 CCCCCCNC 7a_106832991635_100000210314 [1,1,0,0,0,0|1,0,1]=4 2606 B7R0.1 CCCCCCN[13CH3] 2230a_100000210581_200025704644 [1,1,0,0,0,0|1,0,1]=4 2607 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [1,1,0,0,0,0|1,0,1]=4 2608 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [1,1,0,0,0,0|1,0,1]=4 2609 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [1,1,0,0,0,0|1,0,1]=4 2610 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [1,1,0,0,0,0|1,0,1]=4 2611 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [1,1,0,0,0,0|1,0,1]=4 2612 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [1,1,0,0,0,0|1,0,1]=4 2613 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [1,1,0,0,0,0|1,0,1]=4 2614 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [1,1,0,0,0,0|1,0,1]=4 2615 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [1,1,0,0,0,0|1,0,1]=4 2616 B7R0.1 CCCCCNCC 2230a_100000209983_100000210202 [1,1,0,0,0,0|1,0,1]=4 2617 B7R0.1 CCCCCNCC 2230a_100015525214_100000210326 [1,1,0,0,0,0|1,0,1]=4 2618 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [1,1,0,0,0,0|0,0,1]=3 2619 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [1,1,0,0,0,0|0,0,1]=3 2620 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [1,1,0,0,0,0|0,0,1]=3 2621 B7R0.1 CCCCCOCF 34a_100000210253_100015361967 [1,1,0,0,0,0|1,0,1]=4 2622 B7R0.1 CCCCCOCF 7a_100000210253_100015361967 [1,1,0,0,0,0|1,0,1]=4 2623 B7R0.1 CCCCCSCC 62a_100000210202_100000210326 [1,1,0,0,0,0|0,1,1]=4 2624 B7R0.1 CCCCCSCC 62a_100000210326_100000210202 [1,1,0,0,0,0|0,1,1]=4 2625 B7R0.1 CCCCNCCC 2230a_100000102301_100000210303 [1,1,0,0,0,0|1,0,1]=4 2626 B7R0.1 CCCCNCCC 7a_106832991798_100000210303 [1,1,0,0,0,0|1,0,1]=4 2627 B7R0.1 CCCCNCCF 2230a_100000102301_100011217306 [1,1,0,0,0,0|1,0,1]=4 2628 B7R0.1 CCCCNCCF 34a_100000724931_100000210210 [1,1,0,0,0,0|1,0,1]=4 2629 B7R0.1 CCCCNCCF 7a_106832991798_100011217306 [1,1,0,0,0,0|1,0,1]=4 2630 B7R0.1 CCCCNCCO 2230a_100000102301_100000211926 [1,1,0,0,0,0|1,0,1]=4 2631 B7R0.1 CCCCNCCO 2230a_100016997473_100000210211 [1,1,0,0,0,0|1,0,1]=4 2632 B7R0.1 CCCCNCCO 34a_100016990907_100000210210 [1,1,0,0,0,0|1,0,1]=4 2633 B7R0.1 CCCCNCCO 7a_106832991798_100000211926 [1,1,0,0,0,0|1,0,1]=4 2634 B7R0.1 CCCCNCOC 2230a_100000102301_100000766300 [1,1,0,0,0,0|1,0,1]=4 2635 B7R0.1 CCCCNCSC 2230a_100000102301_100011218213 [1,1,0,0,0,0|1,0,1]=4 2636 B7R0.1 CCCCOCC#N 7a_100000210227_100011215382 [1,1,0,0,0,0|0,0,2]=4 2637 B7R0.1 CCCCOCC=O 34a_100000210227_200009817547 [1,1,0,0,0,0|0,0,2]=4 2638 B7R0.1 CCCCOCC=O 7a_100000210227_200015260668 [1,1,0,0,0,0|0,0,2]=4 2639 B7R0.1 CCCCOCCBr 34a_100000211926_100000210210 [1,1,0,0,0,0|0,0,1]=3 2640 B7R0.1 CCCCOCCC 34a_100000210227_100000210303 [1,1,0,0,0,0|0,0,1]=3 2641 B7R0.1 CCCCOCCC 34a_100000210258_100000210210 [1,1,0,0,0,0|0,0,1]=3 2642 B7R0.1 CCCCOCCC 7a_100000210227_100000210303 [1,1,0,0,0,0|0,0,1]=3 2643 B7R0.1 CCCCOCCF 34a_100000210227_100011217306 [1,1,0,0,0,0|0,0,1]=3 2644 B7R0.1 CCCCOCCF 7a_100000210227_100011217306 [1,1,0,0,0,0|0,0,1]=3 2645 B7R0.1 CCCCOCCN 34a_100000210304_100000210210 [1,1,0,0,0,0|0,0,1]=3 2646 B7R0.1 CCCCOCCO 34a_100000210227_100000211926 [1,1,0,0,0,0|0,0,1]=3 2647 B7R0.1 CCCCOCCO 7a_100000210227_100000211926 [1,1,0,0,0,0|0,0,1]=3 2648 B7R0.1 CCCCOCNC 2230a_106832991635_100011995733 [1,1,0,0,0,0|0,0,1]=3 2649 B7R0.1 CCCCOCNC 34a_100102657272_100011995733 [1,1,0,0,0,0|0,0,1]=3 2650 B7R0.1 CCCCOCOC 34a_100138415774_100011995733 [1,1,0,0,0,0|0,0,1]=3 2651 B7R0.1 CCCCOCSC 34a_100000210227_100011218213 [1,1,0,0,0,0|0,0,1]=3 2652 B7R0.1 CCCCOCSC 62a_100011995733_200000210301 [1,1,0,0,0,0|0,0,1]=3 2653 B7R0.1 CCCCOCSC 62a_200000210301_100011995733 [1,1,0,0,0,0|0,0,1]=3 2654 B7R0.1 CCCCOCS[13CH3] 62a_100011995733_200025704644 [1,1,0,0,0,0|0,0,1]=3 2655 B7R0.1 CCCCOCS[13CH3] 62a_200025704644_100011995733 [1,1,0,0,0,0|0,0,1]=3 2656 B7R0.1 CCCCSCCC 62a_100000210211_100000210303 [1,1,0,0,0,0|0,1,1]=4 2657 B7R0.1 CCCCSCCC 62a_100000210303_100000210210 [1,1,0,0,0,0|0,1,1]=4 2658 B7R0.1 CCCCSCCF 62a_100000210211_100011217306 [1,1,0,0,0,0|0,1,1]=4 2659 B7R0.1 CCCCSCCF 62a_100011217306_100000210210 [1,1,0,0,0,0|0,1,1]=4 2660 B7R0.1 CCCCSCCO 62a_100000210211_100000211926 [1,1,0,0,0,0|0,1,1]=4 2661 B7R0.1 CCCCSCCO 62a_100000211926_100000210210 [1,1,0,0,0,0|0,1,1]=4 2662 B7R0.1 CCCCSCOC 62a_100000210211_100000766300 [1,1,0,0,0,0|0,1,1]=4 2663 B7R0.1 CCCCSCOC 62a_100000766300_100000210210 [1,1,0,0,0,0|0,1,1]=4 2664 B7R0.1 CCCCSCSC 62a_100000210211_100011218213 [1,1,0,0,0,0|0,1,1]=4 2665 B7R0.1 CCCCSCSC 62a_100011218213_100000210210 [1,1,0,0,0,0|0,1,1]=4 2666 B7R0.1 CCCNCCCF 2230a_100015189416_100000210303 [1,1,0,0,0,0|2,0,0]=4 2667 B7R0.1 CCCNCCCF 34a_100015189416_100000210303 [1,1,0,0,0,0|2,0,0]=4 2668 B7R0.1 CCCNCCOC 2230a_100000209980_100000210303 [1,1,0,0,0,0|2,0,0]=4 2669 B7R0.1 CCCNCCSC 2230a_100020590264_100000210303 [1,1,0,0,0,0|2,0,0]=4 2670 B7R0.1 CCCOCCCBr 34a_100011217188_100000210303 [1,1,0,0,0,0|1,0,1]=4 2671 B7R0.1 CCCOCCCCl 34a_100000230001_100000210303 [1,1,0,0,0,0|1,0,1]=4 2672 B7R0.1 CCCOCCCF 34a_100000210258_100011934791 [1,1,0,0,0,0|1,0,1]=4 2673 B7R0.1 CCCOCCCF 34a_100000759539_100000210303 [1,1,0,0,0,0|1,0,1]=4 2674 B7R0.1 CCCOCCCN 34a_100000182051_100000210303 [1,1,0,0,0,0|1,0,1]=4 2675 B7R0.1 CCCOCCCO 34a_100000210258_100000230001 [1,1,0,0,0,0|1,0,1]=4 2676 B7R0.1 CCCOCCNC 2230a_100161115042_200000210301 [1,1,0,0,0,0|1,0,1]=4 2677 B7R0.1 CCCOCCNC 2230a_106832991635_100011215938 [1,1,0,0,0,0|1,0,1]=4 2678 B7R0.1 CCCOCCNC 34a_100102657272_100011215938 [1,1,0,0,0,0|1,0,1]=4 2679 B7R0.1 CCCOCCNC 34a_100161115042_200000210301 [1,1,0,0,0,0|1,0,1]=4 2680 B7R0.1 CCCOCCNC 7a_106832991635_100011215938 [1,1,0,0,0,0|1,0,1]=4 2681 B7R0.1 CCCOCCN[13CH3] 2230a_100161115042_200025704644 [1,1,0,0,0,0|1,0,1]=4 2682 B7R0.1 CCCOCCN[13CH3] 34a_100161115042_200025704644 [1,1,0,0,0,0|1,0,1]=4 2683 B7R0.1 CCCOCCOC 34a_100000210237_100000210303 [1,1,0,0,0,0|1,0,1]=4 2684 B7R0.1 CCCOCCOC 34a_100000210258_100011201679 [1,1,0,0,0,0|1,0,1]=4 2685 B7R0.1 CCCOCCOC 34a_100000752267_200000210301 [1,1,0,0,0,0|1,0,1]=4 2686 B7R0.1 CCCOCCOC 34a_100138415774_100011215938 [1,1,0,0,0,0|1,0,1]=4 2687 B7R0.1 CCCOCCOC 7a_100000752267_200000210301 [1,1,0,0,0,0|1,0,1]=4 2688 B7R0.1 CCCOCCO[13CH3] 34a_100000752267_200025704644 [1,1,0,0,0,0|1,0,1]=4 2689 B7R0.1 CCCOCCO[13CH3] 7a_100000752267_200025704644 [1,1,0,0,0,0|1,0,1]=4 2690 B7R0.1 CCCOCCSC 34a_100000210258_100000212216 [1,1,0,0,0,0|1,0,1]=4 2691 B7R0.1 CCCOCCSC 34a_100000230434_100000210303 [1,1,0,0,0,0|1,0,1]=4 2692 B7R0.1 CCCOCCSC 62a_100011215938_200000210301 [1,1,0,0,0,0|1,0,1]=4 2693 B7R0.1 CCCOCCSC 62a_200000210301_100011215938 [1,1,0,0,0,0|1,0,1]=4 2694 B7R0.1 CCCOCCSC 7a_100000230434_100000210303 [1,1,0,0,0,0|1,0,1]=4 2695 B7R0.1 CCCOCCS[13CH3] 62a_100011215938_200025704644 [1,1,0,0,0,0|1,0,1]=4 2696 B7R0.1 CCCOCCS[13CH3] 62a_200025704644_100011215938 [1,1,0,0,0,0|1,0,1]=4 2697 B7R0.1 CCCSCCCF 62a_100000210303_100011934791 [1,1,0,0,0,0|2,0,0]=4 2698 B7R0.1 CCCSCCCF 62a_100011934791_100000210303 [1,1,0,0,0,0|2,0,0]=4 2699 B7R0.1 CCCSCCCO 62a_100000210303_100011215043 [1,1,0,0,0,0|2,0,0]=4 2700 B7R0.1 CCCSCCCO 62a_100011215043_100000210303 [1,1,0,0,0,0|2,0,0]=4 2701 B7R0.1 CCCSCCNC 2230a_100020603323_200000210301 [1,1,0,0,0,0|2,0,0]=4 2702 B7R0.1 CCCSCCN[13CH3] 2230a_100020603323_200025704644 [1,1,0,0,0,0|2,0,0]=4 2703 B7R0.1 CCCSCCOC 34a_200000230433_200000210301 [1,1,0,0,0,0|2,0,0]=4 2704 B7R0.1 CCCSCCOC 62a_100000210303_100000233755 [1,1,0,0,0,0|2,0,0]=4 2705 B7R0.1 CCCSCCOC 62a_100000233755_100000210303 [1,1,0,0,0,0|2,0,0]=4 2706 B7R0.1 CCCSCCOC 7a_200000230433_200000210301 [1,1,0,0,0,0|2,0,0]=4 2707 B7R0.1 CCCSCCO[13CH3] 34a_200000230433_200025704644 [1,1,0,0,0,0|2,0,0]=4 2708 B7R0.1 CCCSCCO[13CH3] 7a_200000230433_200025704644 [1,1,0,0,0,0|2,0,0]=4 2709 B7R0.1 CCCSCCSC 62a_100000210303_100000751147 [1,1,0,0,0,0|2,0,0]=4 2710 B7R0.1 CCCSCCSC 62a_100000212216_100000210303 [1,1,0,0,0,0|2,0,0]=4 2711 B7R0.1 CCCSCOCC 62a_100000210303_100000739092 [1,1,0,0,0,0|0,0,1]=3 2712 B7R0.1 CCCSCOCC 62a_100000739092_100000210303 [1,1,0,0,0,0|0,0,1]=3 2713 B7R0.1 CCNCCCCF 2230a_100015525214_100000729493 [1,1,0,0,0,0|1,0,1]=4 2714 B7R0.1 CCNCCCCO 2230a_100000750430_100000210202 [1,1,0,0,0,0|1,0,1]=4 2715 B7R0.1 CCNCCCCO 2230a_100015525214_100000210776 [1,1,0,0,0,0|1,0,1]=4 2716 B7R0.1 CCNCCCCO 34a_100000750430_100000210202 [1,1,0,0,0,0|1,0,1]=4 2717 B7R0.1 CCNCCCOC 2230a_100015525214_100000740836 [1,1,0,0,0,0|1,0,1]=4 2718 B7R0.1 CCNCCCOC 34a_100150723488_100000210202 [1,1,0,0,0,0|1,0,1]=4 2719 B7R0.1 CCNCCCSC 2230a_100000749238_100000210202 [1,1,0,0,0,0|1,0,1]=4 2720 B7R0.1 CCNCCOCC 2230a_100015525214_100011215890 [1,1,0,0,0,0|0,0,1]=3 2721 B7R0.1 CCNCCOCC 2230a_102516460346_100000210202 [1,1,0,0,0,0|0,0,1]=3 2722 B7R0.1 CCNCCOCC 34a_102516460346_100000210202 [1,1,0,0,0,0|0,0,1]=3 2723 B7R0.1 CCNCCSCC 2230a_100000106463_100000210202 [1,1,0,0,0,0|0,1,1]=4 2724 B7R0.1 CCNCCSCC 2230a_100015525214_100000757381 [1,1,0,0,0,0|0,1,1]=4 2725 B7R0.1 CCOCCCCBr 34a_100011216708_100000210202 [1,1,0,0,0,0|0,0,1]=3 2726 B7R0.1 CCOCCCCCl 34a_100000210776_100000210202 [1,1,0,0,0,0|0,0,1]=3 2727 B7R0.1 CCOCCCCCl 7a_100000210776_100000210202 [1,1,0,0,0,0|0,0,1]=3 2728 B7R0.1 CCOCCCCF 34a_100011995726_100000210202 [1,1,0,0,0,0|0,0,1]=3 2729 B7R0.1 CCOCCCCF 34a_100121572206_100000729493 [1,1,0,0,0,0|0,0,1]=3 2730 B7R0.1 CCOCCCCF 7a_100011995726_100000210202 [1,1,0,0,0,0|0,0,1]=3 2731 B7R0.1 CCOCCCCI 34a_200012148704_100000210202 [1,1,0,0,0,0|0,0,1]=3 2732 B7R0.1 CCOCCCCN 34a_100000750430_100000210202 [1,1,0,0,0,0|0,0,1]=3 2733 B7R0.1 CCOCCCCO 34a_100121572206_100011216708 [1,1,0,0,0,0|0,0,1]=3 2734 B7R0.1 CCOCCCNC 2230a_100000210961_200000210301 [1,1,0,0,0,0|0,0,1]=3 2735 B7R0.1 CCOCCCNC 2230a_106832991635_100012232248 [1,1,0,0,0,0|0,0,1]=3 2736 B7R0.1 CCOCCCNC 34a_100000210961_200000210301 [1,1,0,0,0,0|0,0,1]=3 2737 B7R0.1 CCOCCCNC 34a_100000213112_100000210202 [1,1,0,0,0,0|0,0,1]=3 2738 B7R0.1 CCOCCCNC 34a_100102657272_100012232248 [1,1,0,0,0,0|0,0,1]=3 2739 B7R0.1 CCOCCCNC 7a_106832991635_100012232248 [1,1,0,0,0,0|0,0,1]=3 2740 B7R0.1 CCOCCCN[13CH3] 2230a_100000210961_200025704644 [1,1,0,0,0,0|0,0,1]=3 2741 B7R0.1 CCOCCCN[13CH3] 34a_100000210961_200025704644 [1,1,0,0,0,0|0,0,1]=3 2742 B7R0.1 CCOCCCOC 34a_100000740835_100000210202 [1,1,0,0,0,0|0,0,1]=3 2743 B7R0.1 CCOCCCOC 34a_100000757476_200000210301 [1,1,0,0,0,0|0,0,1]=3 2744 B7R0.1 CCOCCCOC 34a_100121572206_100000740836 [1,1,0,0,0,0|0,0,1]=3 2745 B7R0.1 CCOCCCOC 34a_100138415774_100012232248 [1,1,0,0,0,0|0,0,1]=3 2746 B7R0.1 CCOCCCOC 7a_100000757476_200000210301 [1,1,0,0,0,0|0,0,1]=3 2747 B7R0.1 CCOCCCO[13CH3] 34a_100000757476_200025704644 [1,1,0,0,0,0|0,0,1]=3 2748 B7R0.1 CCOCCCO[13CH3] 7a_100000757476_200025704644 [1,1,0,0,0,0|0,0,1]=3 2749 B7R0.1 CCOCCCSC 34a_100000690336_100000210202 [1,1,0,0,0,0|0,0,1]=3 2750 B7R0.1 CCOCCCSC 62a_100012232248_200000210301 [1,1,0,0,0,0|0,0,1]=3 2751 B7R0.1 CCOCCCSC 62a_200000210301_100012232248 [1,1,0,0,0,0|0,0,1]=3 2752 B7R0.1 CCOCCCSC 7a_100000690336_100000210202 [1,1,0,0,0,0|0,0,1]=3 2753 B7R0.1 CCOCCCS[13CH3] 62a_100012232248_200025704644 [1,1,0,0,0,0|0,0,1]=3 2754 B7R0.1 CCOCCCS[13CH3] 62a_200025704644_100012232248 [1,1,0,0,0,0|0,0,1]=3 2755 B7R0.1 CCOCCNCF 34a_102516460346_100015361967 [1,1,0,0,0,0|1,0,1]=4 2756 B7R0.1 CCOCCOCC 34a_100000210136_100000210202 [1,1,0,0,0,0|0,0,1]=3 2757 B7R0.1 CCOCCOCC 34a_100121572206_100000210147 [1,1,0,0,0,0|0,0,1]=3 2758 B7R0.1 CCOCCOCC 7a_100000210136_100000210202 [1,1,0,0,0,0|0,0,1]=3 2759 B7R0.1 CCOCCOCF 34a_100000210136_100015361967 [1,1,0,0,0,0|1,0,1]=4 2760 B7R0.1 CCOCCOCF 7a_100000210136_100015361967 [1,1,0,0,0,0|1,0,1]=4 2761 B7R0.1 CCOCCSCC 34a_100000212035_100000210202 [1,1,0,0,0,0|0,0,1]=3 2762 B7R0.1 CCOCCSCC 34a_100121572206_100000757381 [1,1,0,0,0,0|0,0,1]=3 2763 B7R0.1 CCOCCSCC 62a_100000210147_100000210202 [1,1,0,0,0,0|0,0,1]=3 2764 B7R0.1 CCOCCSCC 62a_100000210202_100011215890 [1,1,0,0,0,0|0,0,1]=3 2765 B7R0.1 CCOCCSCC 7a_100000212035_100000210202 [1,1,0,0,0,0|0,0,1]=3 2766 B7R0.1 CCOCCSCF 62a_100000210147_100015361967 [1,1,0,0,0,0|1,0,1]=4 2767 B7R0.1 CCOCCSCF 62a_100015361967_100011215890 [1,1,0,0,0,0|1,0,1]=4 2768 B7R0.1 CCOCSCCF 62a_100000739092_100011217306 [1,1,0,0,0,0|1,0,1]=4 2769 B7R0.1 CCOCSCCF 62a_100011217306_100000739092 [1,1,0,0,0,0|1,0,1]=4 2770 B7R0.1 CCOCSCCO 62a_100000211926_100000739092 [1,1,0,0,0,0|1,0,1]=4 2771 B7R0.1 CCOCSCCO 62a_100000739092_100000211926 [1,1,0,0,0,0|1,0,1]=4 2772 B7R0.1 CCOCSCOC 62a_100000739092_100000766300 [1,1,0,0,0,0|1,0,1]=4 2773 B7R0.1 CCOCSCOC 62a_100000766300_100000739092 [1,1,0,0,0,0|1,0,1]=4 2774 B7R0.1 CCOCSCSC 62a_100000739092_100011218213 [1,1,0,0,0,0|1,0,1]=4 2775 B7R0.1 CCOCSCSC 62a_100011218213_100000739092 [1,1,0,0,0,0|1,0,1]=4 2776 B7R0.1 CCSCCCCF 62a_100000210202_100000729493 [1,1,0,0,0,0|0,1,1]=4 2777 B7R0.1 CCSCCCCF 62a_100000729493_100000210202 [1,1,0,0,0,0|0,1,1]=4 2778 B7R0.1 CCSCCCCO 62a_100000210202_100000210776 [1,1,0,0,0,0|0,1,1]=4 2779 B7R0.1 CCSCCCCO 62a_100000210776_100000210202 [1,1,0,0,0,0|0,1,1]=4 2780 B7R0.1 CCSCCCOC 34a_100011216438_200000210301 [1,1,0,0,0,0|0,1,1]=4 2781 B7R0.1 CCSCCCOC 62a_100000210202_100000709357 [1,1,0,0,0,0|0,1,1]=4 2782 B7R0.1 CCSCCCOC 62a_100000709357_100000210202 [1,1,0,0,0,0|0,1,1]=4 2783 B7R0.1 CCSCCCOC 7a_100011216438_200000210301 [1,1,0,0,0,0|0,1,1]=4 2784 B7R0.1 CCSCCCO[13CH3] 34a_100011216438_200025704644 [1,1,0,0,0,0|0,1,1]=4 2785 B7R0.1 CCSCCCO[13CH3] 7a_100011216438_200025704644 [1,1,0,0,0,0|0,1,1]=4 2786 B7R0.1 CCSCCOCF 34a_100000212035_100015361967 [1,1,0,0,0,0|1,0,1]=4 2787 B7R0.1 CCSCCOCF 7a_100000212035_100015361967 [1,1,0,0,0,0|1,0,1]=4 2788 B7R0.1 CCSCCSCC 62a_100000210202_100000757381 [1,1,0,0,0,0|0,1,1]=4 2789 B7R0.1 CCSCCSCC 62a_100000757381_100000210202 [1,1,0,0,0,0|0,1,1]=4 2790 B7R0.1 CNCCCOCF 34a_100000213112_100015361967 [1,1,0,0,0,0|1,0,1]=4 2791 B7R0.1 CNCCOCCO 2230a_100000211614_200000210301 [1,1,0,0,0,0|1,0,1]=4 2792 B7R0.1 CNCCOCCO 2230a_106832991635_100011215305 [1,1,0,0,0,0|1,0,1]=4 2793 B7R0.1 CNCCOCCO 34a_100000211614_200000210301 [1,1,0,0,0,0|1,0,1]=4 2794 B7R0.1 CNCCOCCO 34a_100102657272_100000692535 [1,1,0,0,0,0|1,0,1]=4 2795 B7R0.1 CNCCOCCO 7a_106832991635_100011215305 [1,1,0,0,0,0|1,0,1]=4 2796 B7R0.1 CNCOCCOC 2230a_106832991635_100000231047 [1,1,0,0,0,0|1,0,1]=4 2797 B7R0.1 COCCCOCF 34a_100000740835_100015361967 [1,1,0,0,0,0|1,0,1]=4 2798 B7R0.1 COCCOCCBr 34a_100000211926_100011201679 [1,1,0,0,0,0|1,0,1]=4 2799 B7R0.1 COCCOCCBr 34a_100000692535_200000210301 [1,1,0,0,0,0|1,0,1]=4 2800 B7R0.1 COCCOCCBr 7a_100000692535_200000210301 [1,1,0,0,0,0|1,0,1]=4 2801 B7R0.1 COCCOCCCl 34a_100011215305_200000210301 [1,1,0,0,0,0|1,0,1]=4 2802 B7R0.1 COCCOCCCl 7a_100011215305_200000210301 [1,1,0,0,0,0|1,0,1]=4 2803 B7R0.1 COCCOCCF 34a_100000210237_100011217306 [1,1,0,0,0,0|1,0,1]=4 2804 B7R0.1 COCCOCCF 34a_200015357709_200000210301 [1,1,0,0,0,0|1,0,1]=4 2805 B7R0.1 COCCOCCF 7a_200015357709_200000210301 [1,1,0,0,0,0|1,0,1]=4 2806 B7R0.1 COCCOCCI 34a_100012149058_200000210301 [1,1,0,0,0,0|1,0,1]=4 2807 B7R0.1 COCCOCCI 7a_100012149058_200000210301 [1,1,0,0,0,0|1,0,1]=4 2808 B7R0.1 COCCOCCN 34a_100000210304_100011201679 [1,1,0,0,0,0|1,0,1]=4 2809 B7R0.1 COCCOCCN 34a_100000211614_200000210301 [1,1,0,0,0,0|1,0,1]=4 2810 B7R0.1 COCCOCCO 34a_100000210237_100000211926 [1,1,0,0,0,0|1,0,1]=4 2811 B7R0.1 COCCOCCO 34a_100138415774_100000692535 [1,1,0,0,0,0|1,0,1]=4 2812 B7R0.1 COCCOCSC 34a_100000210237_100011218213 [1,1,0,0,0,0|1,0,1]=4 2813 B7R0.1 COCCOCSC 62a_100000231047_200000210301 [1,1,0,0,0,0|1,0,1]=4 2814 B7R0.1 COCCOCSC 62a_200000210301_100000231047 [1,1,0,0,0,0|1,0,1]=4 2815 B7R0.1 COCCOCS[13CH3] 62a_100000231047_200025704644 [1,1,0,0,0,0|1,0,1]=4 2816 B7R0.1 COCCOCS[13CH3] 62a_200025704644_100000231047 [1,1,0,0,0,0|1,0,1]=4 2817 B7R0.1 CSCCCOCF 34a_100000690336_100015361967 [1,1,0,0,0,0|1,0,1]=4 2818 B7R0.1 CSCCCOCF 7a_100000690336_100015361967 [1,1,0,0,0,0|1,0,1]=4 2819 B7R0.1 CSCCOCCBr 34a_100000211926_100000212216 [1,1,0,0,0,0|1,0,1]=4 2820 B7R0.1 CSCCOCCF 34a_100000230434_100011217306 [1,1,0,0,0,0|1,0,1]=4 2821 B7R0.1 CSCCOCCF 7a_100000230434_100011217306 [1,1,0,0,0,0|1,0,1]=4 2822 B7R0.1 CSCCOCCN 34a_100000210304_100000212216 [1,1,0,0,0,0|1,0,1]=4 2823 B7R0.1 CSCCOCCO 34a_100000230434_100000211926 [1,1,0,0,0,0|1,0,1]=4 2824 B7R0.1 CSCCOCCO 62a_100011215305_200000210301 [1,1,0,0,0,0|1,0,1]=4 2825 B7R0.1 CSCCOCCO 62a_200000210301_100011215305 [1,1,0,0,0,0|1,0,1]=4 2826 B7R0.1 CSCCOCCO 7a_100000230434_100000211926 [1,1,0,0,0,0|1,0,1]=4 2827 B7R0.1 CSCCOCSC 34a_100000230434_100011218213 [1,1,0,0,0,0|1,0,1]=4 2828 B7R0.1 CSCOCCCBr 34a_100011217188_100011218213 [1,1,0,0,0,0|1,0,1]=4 2829 B7R0.1 CSCOCCCCl 34a_100000230001_100011218213 [1,1,0,0,0,0|1,0,1]=4 2830 B7R0.1 CSCOCCCF 34a_100000759539_100011218213 [1,1,0,0,0,0|1,0,1]=4 2831 B7R0.1 CSCOCCCN 34a_100000182051_100011218213 [1,1,0,0,0,0|1,0,1]=4 2832 B7R0.1 FCCCCOCF 34a_100011995726_100015361967 [1,1,0,0,0,0|1,0,1]=4 2833 B7R0.1 FCCCCOCF 7a_100011995726_100015361967 [1,1,0,0,0,0|1,0,1]=4 2834 B7R0.1 FCCCOCCBr 34a_100000211926_100011934791 [1,1,0,0,0,0|1,0,1]=4 2835 B7R0.1 FCCCOCCF 34a_100000759539_100011217306 [1,1,0,0,0,0|1,0,1]=4 2836 B7R0.1 FCCOCCCBr 34a_100011217188_100011217306 [1,1,0,0,0,0|1,0,1]=4 2837 B7R0.1 FCCOCCCCl 34a_100000230001_100011217306 [1,1,0,0,0,0|1,0,1]=4 2838 B7R0.1 FCOCCCCBr 34a_100011216708_100015361967 [1,1,0,0,0,0|1,0,1]=4 2839 B7R0.1 FCOCCCCCl 34a_100000210776_100015361967 [1,1,0,0,0,0|1,0,1]=4 2840 B7R0.1 FCOCCCCCl 7a_100000210776_100015361967 [1,1,0,0,0,0|1,0,1]=4 2841 B7R0.1 FCOCCCCI 34a_200012148704_100015361967 [1,1,0,0,0,0|1,0,1]=4 2842 B7R0.1 NCCCCOCF 34a_100000750430_100015361967 [1,1,0,0,0,0|1,0,1]=4 2843 B7R0.1 NCCCOCCF 34a_100000182051_100011217306 [1,1,0,0,0,0|1,0,1]=4 2844 B7R0.1 NCCCOCCO 34a_100000182051_100000211926 [1,1,0,0,0,0|1,0,1]=4 2845 B7R0.1 NCCOCCCF 34a_100000210304_100011934791 [1,1,0,0,0,0|1,0,1]=4 2846 B7R0.1 NCCOCCCO 34a_100000210304_100000230001 [1,1,0,0,0,0|1,0,1]=4 2847 B7R0.1 OCCCOCCBr 34a_100000211926_100000230001 [1,1,0,0,0,0|1,0,1]=4 2848 B7R0.1 OCCOCCCBr 34a_100011217188_100000211926 [1,1,0,0,0,0|1,0,1]=4 2849 B7R0.1 OCCOCCCCl 34a_100000230001_100000211926 [1,1,0,0,0,0|1,0,1]=4 2850 B7R0.1 OCCOCCCF 34a_100000759539_100000211926 [1,1,0,0,0,0|1,0,1]=4 2851 B7R0.1 [13CH3]NCCOCCO 2230a_100000211614_200025704644 [1,1,0,0,0,0|1,0,1]=4 2852 B7R0.1 [13CH3]NCCOCCO 34a_100000211614_200025704644 [1,1,0,0,0,0|1,0,1]=4 2853 B7R0.1 [13CH3]OCCOCCBr 34a_100000692535_200025704644 [1,1,0,0,0,0|1,0,1]=4 2854 B7R0.1 [13CH3]OCCOCCBr 7a_100000692535_200025704644 [1,1,0,0,0,0|1,0,1]=4 2855 B7R0.1 [13CH3]OCCOCCCl 34a_100011215305_200025704644 [1,1,0,0,0,0|1,0,1]=4 2856 B7R0.1 [13CH3]OCCOCCCl 7a_100011215305_200025704644 [1,1,0,0,0,0|1,0,1]=4 2857 B7R0.1 [13CH3]OCCOCCF 34a_200015357709_200025704644 [1,1,0,0,0,0|1,0,1]=4 2858 B7R0.1 [13CH3]OCCOCCF 7a_200015357709_200025704644 [1,1,0,0,0,0|1,0,1]=4 2859 B7R0.1 [13CH3]OCCOCCI 34a_100012149058_200025704644 [1,1,0,0,0,0|1,0,1]=4 2860 B7R0.1 [13CH3]OCCOCCI 7a_100012149058_200025704644 [1,1,0,0,0,0|1,0,1]=4 2861 B7R0.1 [13CH3]OCCOCCN 34a_100000211614_200025704644 [1,1,0,0,0,0|1,0,1]=4 2862 B7R0.1 [13CH3]SCCOCCO 62a_100011215305_200025704644 [1,1,0,0,0,0|1,0,1]=4 2863 B7R0.1 [13CH3]SCCOCCO 62a_200025704644_100011215305 [1,1,0,0,0,0|1,0,1]=4 2864 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [1,1,0,0,0,0|0,0,2]=4 2865 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [1,1,0,0,0,0|0,0,2]=4 2866 B7R0.4 CC(Br)CCOCF 34a_100009893172_100015361967 [1,1,0,0,0,0|1,0,1]=4 2867 B7R0.4 CC(C)CCOCF 34a_100000210254_100015361967 [1,1,0,0,0,0|1,0,1]=4 2868 B7R0.4 CC(C)CCOCF 7a_100000210254_100015361967 [1,1,0,0,0,0|1,0,1]=4 2869 B7R0.4 CC(C)OCCCBr 34a_100011217188_100000210206 [1,1,0,0,0,0|1,0,1]=4 2870 B7R0.4 CC(C)OCCCCl 34a_100000230001_100000210206 [1,1,0,0,0,0|1,0,1]=4 2871 B7R0.4 CC(C)OCCCF 34a_100000212225_100011934791 [1,1,0,0,0,0|1,0,1]=4 2872 B7R0.4 CC(C)OCCCF 34a_100000759539_100000210206 [1,1,0,0,0,0|1,0,1]=4 2873 B7R0.4 CC(C)OCCCN 34a_100000182051_100000210206 [1,1,0,0,0,0|1,0,1]=4 2874 B7R0.4 CC(C)OCCCO 34a_100000212225_100000230001 [1,1,0,0,0,0|1,0,1]=4 2875 B7R0.4 CC(C)OCCN[13CH3] 2230a_100000701111_200025704644 [1,1,0,0,0,0|1,0,1]=4 2876 B7R0.4 CC(C)OCCN[13CH3] 34a_100000701111_200025704644 [1,1,0,0,0,0|1,0,1]=4 2877 B7R0.4 CC(C)OCCO[13CH3] 34a_100000211219_200025704644 [1,1,0,0,0,0|1,0,1]=4 2878 B7R0.4 CC(C)OCCO[13CH3] 7a_100000211219_200025704644 [1,1,0,0,0,0|1,0,1]=4 2879 B7R0.4 CC(C)OCCS[13CH3] 62a_100000211751_200025704644 [1,1,0,0,0,0|1,0,1]=4 2880 B7R0.4 CC(C)OCCS[13CH3] 62a_200025704644_100000211751 [1,1,0,0,0,0|1,0,1]=4 2881 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [1,1,0,0,0,0|1,0,1]=4 2882 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [1,1,0,0,0,0|1,0,1]=4 2883 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [1,1,0,0,0,0|1,0,1]=4 2884 B7R0.4 CC/C=C\CN(C)C 2230a_100102631434_100103147603 [1,1,0,0,0,0|2,0,0]=4 2885 B7R0.4 CC/C=C\CN(C)C 269982a_100102631434_100103147603 [1,1,0,0,0,0|2,0,0]=4 2886 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [1,1,0,0,0,0|1,0,1]=4 2887 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [1,1,0,0,0,0|1,0,1]=4 2888 B7R0.4 CCCCNC(C)C 2230a_100000102301_100000210206 [1,1,0,0,0,0|1,0,1]=4 2889 B7R0.4 CCCCNC(C)C 2230a_100138425928_100000210211 [1,1,0,0,0,0|1,0,1]=4 2890 B7R0.4 CCCCNC(C)C 34a_100138425928_100000210210 [1,1,0,0,0,0|1,0,1]=4 2891 B7R0.4 CCCCNC(C)C 7a_106832991798_100000210206 [1,1,0,0,0,0|1,0,1]=4 2892 B7R0.4 CCCCOC(C)C 34a_100000210227_100000210206 [1,1,0,0,0,0|0,0,1]=3 2893 B7R0.4 CCCCOC(C)C 34a_100000212225_100000210210 [1,1,0,0,0,0|0,0,1]=3 2894 B7R0.4 CCCCOC(C)C 7a_100000210227_100000210206 [1,1,0,0,0,0|0,0,1]=3 2895 B7R0.4 CCCCSC(C)C 62a_100000210206_100000210210 [1,1,0,0,0,0|0,1,1]=4 2896 B7R0.4 CCCCSC(C)C 62a_100000210211_100000210206 [1,1,0,0,0,0|0,1,1]=4 2897 B7R0.4 CCCNCC(C)C 2230a_100000210953_100000210303 [1,1,0,0,0,0|2,0,0]=4 2898 B7R0.4 CCCNCC(C)C 270004a_100020643023_100000210432 [1,1,0,0,0,0|2,0,0]=4 2899 B7R0.4 CCCNCC(C)C 34a_100000210953_100000210303 [1,1,0,0,0,0|2,0,0]=4 2900 B7R0.4 CCCNCC(C)O 2230a_100000210904_100000210303 [1,1,0,0,0,0|2,0,0]=4 2901 B7R0.4 CCCNCC(C)O 34a_100000210904_100000210303 [1,1,0,0,0,0|2,0,0]=4 2902 B7R0.4 CCCOCC(C)Br 34a_100012180447_100000210303 [1,1,0,0,0,0|2,0,0]=4 2903 B7R0.4 CCCOCC(C)C 34a_100000210257_100000210303 [1,1,0,0,0,0|2,0,0]=4 2904 B7R0.4 CCCOCC(C)C 34a_100000210258_100000210624 [1,1,0,0,0,0|2,0,0]=4 2905 B7R0.4 CCCOCC(C)F 34a_100015925927_100000210303 [1,1,0,0,0,0|2,0,0]=4 2906 B7R0.4 CCCOCC(C)O 34a_100000210258_100011218427 [1,1,0,0,0,0|2,0,0]=4 2907 B7R0.4 CCCOC[C@@H](C)Cl 34a_100016084084_100000210303 [1,1,0,0,0,0|2,0,0]=4 2908 B7R0.4 CCCOC[C@@H](C)N 34a_100000737577_100000210303 [1,1,0,0,0,0|2,0,0]=4 2909 B7R0.4 CCCOC[C@@H](C)O 34a_100000210258_100009817552 [1,1,0,0,0,0|2,0,0]=4 2910 B7R0.4 CCCSCC(C)C 62a_100000210303_100000210760 [1,1,0,0,0,0|2,0,0]=4 2911 B7R0.4 CCCSCC(C)C 62a_100000210624_100000210303 [1,1,0,0,0,0|2,0,0]=4 2912 B7R0.4 CCCSCC(C)O 62a_100000210303_100011218427 [1,1,0,0,0,0|2,0,0]=4 2913 B7R0.4 CCCSCC(C)O 62a_100011218427_100000210303 [1,1,0,0,0,0|2,0,0]=4 2914 B7R0.4 CCCSC[C@@H](C)O 62a_100000210303_100009817552 [1,1,0,0,0,0|2,0,0]=4 2915 B7R0.4 CCCSC[C@@H](C)O 62a_100009817552_100000210303 [1,1,0,0,0,0|2,0,0]=4 2916 B7R0.4 CCNCCC(C)C 2230a_100015525214_100000210312 [1,1,0,0,0,0|1,0,1]=4 2917 B7R0.4 CCNCCC(C)C 269862a_100015525214_100000185833 [1,1,0,0,0,0|1,0,1]=4 2918 B7R0.4 CCNCCC(C)O 2230a_100015525214_100012276601 [1,1,0,0,0,0|1,0,1]=4 2919 B7R0.4 CCNCCC(C)O 2230a_200000755665_100000210202 [1,1,0,0,0,0|1,0,1]=4 2920 B7R0.4 CCNCOC(C)C 2230a_100015525214_100000709892 [1,1,0,0,0,0|1,0,1]=4 2921 B7R0.4 CCOC=CC(=O)C 1458a_100016266692_200000210301 [1,1,0,0,0,0|0,0,2]=4 2922 B7R0.4 CCOC=CC(=O)[13CH3] 1458a_100016266692_200025704644 [1,1,0,0,0,0|0,0,2]=4 2923 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [1,1,0,0,0,0|0,0,2]=4 2924 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [1,1,0,0,0,0|0,0,2]=4 2925 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [1,1,0,0,0,0|0,0,2]=4 2926 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [1,1,0,0,0,0|0,0,2]=4 2927 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [1,1,0,0,0,0|0,0,2]=4 2928 B7R0.4 CCOCCC(C)Br 34a_100009893172_100000210202 [1,1,0,0,0,0|0,0,1]=3 2929 B7R0.4 CCOCCC(C)C 34a_100000210254_100000210202 [1,1,0,0,0,0|0,0,1]=3 2930 B7R0.4 CCOCCC(C)C 34a_100121572206_100000210312 [1,1,0,0,0,0|0,0,1]=3 2931 B7R0.4 CCOCCC(C)C 7a_100000210254_100000210202 [1,1,0,0,0,0|0,0,1]=3 2932 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [1,1,0,0,0,0|0,0,1]=3 2933 B7R0.4 CCOCCC(F)F 34a_100103093639_100000210202 [1,1,0,0,0,0|1,0,1]=4 2934 B7R0.4 CCOCCN(C)C 2230a_100102631434_100011215890 [1,1,0,0,0,0|1,0,1]=4 2935 B7R0.4 CCOCCN(C)C 269982a_100102631434_100011215890 [1,1,0,0,0,0|1,0,1]=4 2936 B7R0.4 CCOCC[C@@H](C)N 34a_100000706166_100000210202 [1,1,0,0,0,0|0,0,1]=3 2937 B7R0.4 CCOCOC(C)C 34a_100121572206_100000709892 [1,1,0,0,0,0|1,0,1]=4 2938 B7R0.4 CCOCSC(C)C 62a_100000210206_100000739092 [1,1,0,0,0,0|1,0,1]=4 2939 B7R0.4 CCOCSC(C)C 62a_100000739092_100000210206 [1,1,0,0,0,0|1,0,1]=4 2940 B7R0.4 CCSCCC(C)C 62a_100000210202_100000210312 [1,1,0,0,0,0|0,1,1]=4 2941 B7R0.4 CCSCCC(C)C 62a_100000210312_100000210202 [1,1,0,0,0,0|0,1,1]=4 2942 B7R0.4 CCSCCC(C)O 62a_100000210202_100012276601 [1,1,0,0,0,0|0,1,1]=4 2943 B7R0.4 CCSCCC(C)O 62a_100012276601_100000210202 [1,1,0,0,0,0|0,1,1]=4 2944 B7R0.4 CCSCOC(C)C 62a_100000210202_100000709892 [1,1,0,0,0,0|1,0,1]=4 2945 B7R0.4 CCSCOC(C)C 62a_100000709892_100000210202 [1,1,0,0,0,0|1,0,1]=4 2946 B7R0.4 CNCCOC(C)C 2230a_100000701111_200000210301 [1,1,0,0,0,0|1,0,1]=4 2947 B7R0.4 CNCCOC(C)C 2230a_106832991635_100000211751 [1,1,0,0,0,0|1,0,1]=4 2948 B7R0.4 CNCCOC(C)C 34a_100000701111_200000210301 [1,1,0,0,0,0|1,0,1]=4 2949 B7R0.4 CNCCOC(C)C 34a_100102657272_100000211751 [1,1,0,0,0,0|1,0,1]=4 2950 B7R0.4 CNCCOC(C)C 7a_106832991635_100000211751 [1,1,0,0,0,0|1,0,1]=4 2951 B7R0.4 COCCOC(C)C 34a_100000210237_100000210206 [1,1,0,0,0,0|1,0,1]=4 2952 B7R0.4 COCCOC(C)C 34a_100000211219_200000210301 [1,1,0,0,0,0|1,0,1]=4 2953 B7R0.4 COCCOC(C)C 34a_100000212225_100011201679 [1,1,0,0,0,0|1,0,1]=4 2954 B7R0.4 COCCOC(C)C 34a_100138415774_100000211751 [1,1,0,0,0,0|1,0,1]=4 2955 B7R0.4 COCCOC(C)C 7a_100000211219_200000210301 [1,1,0,0,0,0|1,0,1]=4 2956 B7R0.4 CSCCOC(C)C 34a_100000212225_100000212216 [1,1,0,0,0,0|1,0,1]=4 2957 B7R0.4 CSCCOC(C)C 34a_100000230434_100000210206 [1,1,0,0,0,0|1,0,1]=4 2958 B7R0.4 CSCCOC(C)C 62a_100000211751_200000210301 [1,1,0,0,0,0|1,0,1]=4 2959 B7R0.4 CSCCOC(C)C 62a_200000210301_100000211751 [1,1,0,0,0,0|1,0,1]=4 2960 B7R0.4 CSCCOC(C)C 7a_100000230434_100000210206 [1,1,0,0,0,0|1,0,1]=4 2961 B7R0.4 C[C@@H](N)CCOCF 34a_100000706166_100015361967 [1,1,0,0,0,0|1,0,1]=4 2962 B9R0.4 C#CCCC(=O)CC(C)C 1458a_100000210554_100000753159 [0,2,0,0,0,0|1,0,1]=4 2963 B9R0.4 C#CCCC(=O)CC(C)C 1458a_100000692101_100000210624 [0,2,0,0,0,0|1,0,1]=4 2964 B9R0.4 C#CCCC(=O)CC(C)O 1458a_100000692101_100011218427 [0,2,0,0,0,0|1,0,1]=4 2965 B9R0.4 C#CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000753159 [0,2,0,0,0,0|1,0,1]=4 2966 B9R0.4 C#CCCC(=O)NC(C)C 11a_100138425928_100000692101 [0,2,0,0,0,0|1,0,1]=4 2967 B9R0.4 C#CCCC(=O)NC(C)C 1626a_100138425928_100000692101 [0,2,0,0,0,0|1,0,1]=4 2968 B9R0.4 C#CCCC(=O)NC(C)C 240690a_100138425928_100000692101 [0,2,0,0,0,0|1,0,1]=4 2969 B9R0.4 C#CCCC(=O)NC(C)C 527a_100138425928_100000692101 [0,2,0,0,0,0|1,0,1]=4 2970 B9R0.4 C#CCNC(=O)CC(C)C 11a_100000212058_100000210554 [0,2,0,0,0,0|1,0,1]=4 2971 B9R0.4 C#CCNC(=O)CC(C)C 1626a_100000212058_100000210554 [0,2,0,0,0,0|1,0,1]=4 2972 B9R0.4 C#CCNC(=O)CC(C)C 240690a_100000212058_100000210554 [0,2,0,0,0,0|1,0,1]=4 2973 B9R0.4 C#CCNC(=O)CC(C)C 527a_100000212058_100000210554 [0,2,0,0,0,0|1,0,1]=4 2974 B9R0.4 C#CCNC(=O)C[C@@H](C)O 240690a_100000212058_100011933948 [0,2,0,0,0,0|1,0,1]=4 2975 B9R0.4 C/C=C/CC(=O)CC(C)C 1458a_100000210554_100102629194 [0,2,0,0,0,0|1,0,1]=4 2976 B9R0.4 C/C=C/CC(=O)C[C@@H](C)O 1458a_100011933948_100102629194 [0,2,0,0,0,0|1,0,1]=4 2977 B9R0.4 C=C(C)CC(=O)C#CCC 1458a_100011827653_100000748629 [0,2,0,0,0,0|1,0,1]=4 2978 B9R0.4 C=C(C)CC(=O)C=CCC 1458a_100000212282_100000748629 [0,2,0,0,0,0|1,0,1]=4 2979 B9R0.4 C=C(C)CC(=O)CCCC 1458a_100000210183_100000748629 [0,2,0,0,0,0|1,0,1]=4 2980 B9R0.4 C=C(C)CC(=O)CCOC 1458a_100000749529_100000748629 [0,2,0,0,0,0|1,0,1]=4 2981 B9R0.4 C=C(C)CC(=O)CCSC 1458a_100000174002_100000748629 [0,2,0,0,0,0|1,0,1]=4 2982 B9R0.4 C=C(C)CC(=O)COCC 1458a_100000211967_100000748629 [0,2,0,0,0,0|0,0,1]=3 2983 B9R0.4 C=C(C)CC(=O)CSCC 1458a_100000230394_100000748629 [0,2,0,0,0,0|0,1,1]=4 2984 B9R0.4 C=C(CC(=O)C)OCOC 1458a_100000070787_100000042856 [0,2,0,0,0,0|1,0,1]=4 2985 B9R0.4 C=C(CN(C)C)OCOC 269982a_100102631434_100000042856 [0,2,0,0,0,0|2,0,0]=4 2986 B9R0.4 C=C(F)CC(=O)COCC 1458a_100000211967_100009893438 [0,2,0,0,0,0|0,0,2]=4 2987 B9R0.4 C=CCCC(=O)CC(C)C 1458a_100000210554_100000754431 [0,2,0,0,0,0|1,0,1]=4 2988 B9R0.4 C=CCCC(=O)CC(C)C 1458a_100000749702_100000210624 [0,2,0,0,0,0|1,0,1]=4 2989 B9R0.4 C=CCCC(=O)CC(C)O 1458a_100000749702_100011218427 [0,2,0,0,0,0|1,0,1]=4 2990 B9R0.4 C=CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000754431 [0,2,0,0,0,0|1,0,1]=4 2991 B9R0.4 C=CCCC(=O)NC(C)C 11a_100138425928_100000749702 [0,2,0,0,0,0|1,0,1]=4 2992 B9R0.4 C=CCCC(=O)NC(C)C 1626a_100138425928_100000749702 [0,2,0,0,0,0|1,0,1]=4 2993 B9R0.4 C=CCCC(=O)NC(C)C 240690a_100138425928_100000749702 [0,2,0,0,0,0|1,0,1]=4 2994 B9R0.4 C=CCCC(=O)NC(C)C 527a_100138425928_100000749702 [0,2,0,0,0,0|1,0,1]=4 2995 B9R0.4 C=CCNC(=O)CC(C)C 1626a_100020586998_100000210554 [0,2,0,0,0,0|1,0,1]=4 2996 B9R0.4 C=CCNC(=O)CC(C)C 240690a_100020586998_100000210554 [0,2,0,0,0,0|1,0,1]=4 2997 B9R0.4 C=CCNC(=O)CC(C)C 527a_100020586998_100000210554 [0,2,0,0,0,0|1,0,1]=4 2998 B9R0.4 C=CCNC(=O)C[C@@H](C)O 240690a_100020586998_100011933948 [0,2,0,0,0,0|1,0,1]=4 2999 B9R0.4 C=CCOC(=O)CC(=O)C 1458a_100000070787_100000033060 [0,2,0,0,0,0|0,0,2]=4 3000 B9R0.4 C=CCOC(=O)CN(C)C 2230a_100102631434_100000033060 [0,2,0,0,0,0|1,0,1]=4 3001 B9R0.4 C=CCOC(=O)CN(C)C 269982a_100102631434_100000033060 [0,2,0,0,0,0|1,0,1]=4 3002 B9R0.4 CC#CCC(=O)CC(C)C 1458a_100000210554_100000748600 [0,2,0,0,0,0|1,0,1]=4 3003 B9R0.4 CC#CCC(=O)C[C@@H](C)O 1458a_100011933948_100000748600 [0,2,0,0,0,0|1,0,1]=4 3004 B9R0.4 CC(=CC(=O)CCCF)C 1458a_100000211388_100011934791 [0,2,0,0,0,0|1,0,1]=4 3005 B9R0.4 CC(=CC(=O)CCCF)Cl 1458a_200042562850_100011934791 [0,2,0,0,0,0|1,0,1]=4 3006 B9R0.4 CC(=CC(=O)CCCF)I 1458a_100025716642_100011934791 [0,2,0,0,0,0|1,0,1]=4 3007 B9R0.4 CC(=CC(=O)CCCO)C 1458a_100000211388_100011215043 [0,2,0,0,0,0|1,0,1]=4 3008 B9R0.4 CC(=CC(=O)CCCO)Cl 1458a_200042562850_100011215043 [0,2,0,0,0,0|1,0,1]=4 3009 B9R0.4 CC(=CC(=O)CCCO)I 1458a_100025716642_100011215043 [0,2,0,0,0,0|1,0,1]=4 3010 B9R0.4 CC(C)CC(=O)C#CCO 1458a_100000049017_100000210624 [0,2,0,0,0,0|1,0,1]=4 3011 B9R0.4 CC(C)CC(=O)CCC#N 1458a_100000210554_100011215226 [0,2,0,0,0,0|1,0,1]=4 3012 B9R0.4 CC(C)CC(=O)CCC#N 1458a_100011934036_100000210624 [0,2,0,0,0,0|1,0,1]=4 3013 B9R0.4 CC(C)CC(=O)CCCF 1458a_100000210554_100011934791 [0,2,0,0,0,0|1,0,0]=3 3014 B9R0.4 CC(C)CC(=O)CCCO 1458a_100000210554_100011215043 [0,2,0,0,0,0|1,0,0]=3 3015 B9R0.4 CC(C)CC(=O)NCC#N 1626a_100000734998_100000210554 [0,2,0,0,0,0|1,0,1]=4 3016 B9R0.4 CC(C)CC(=O)NCC#N 527a_100000734998_100000210554 [0,2,0,0,0,0|1,0,1]=4 3017 B9R0.4 CC(C)CC(=O)NCCF 11a_100000724931_100000210554 [0,2,0,0,0,0|1,0,0]=3 3018 B9R0.4 CC(C)CC(=O)NCCF 1626a_100000724931_100000210554 [0,2,0,0,0,0|1,0,0]=3 3019 B9R0.4 CC(C)CC(=O)NCCF 240690a_100000724931_100000210554 [0,2,0,0,0,0|1,0,0]=3 3020 B9R0.4 CC(C)CC(=O)NCCF 527a_100000724931_100000210554 [0,2,0,0,0,0|1,0,0]=3 3021 B9R0.4 CC(C)CC(=O)NCCO 240690a_100000210304_100000210554 [0,2,0,0,0,0|1,0,0]=3 3022 B9R0.4 CC(C)CC(=O)NCCO 527a_100000210304_100000210554 [0,2,0,0,0,0|1,0,0]=3 3023 B9R0.4 CC(C)CC(C)OCCBr 34a_100000211926_100000731052 [0,2,0,0,0,0|1,0,1]=4 3024 B9R0.4 CC(C)CC(C)OCCF 34a_100000211805_100011217306 [0,2,0,0,0,0|1,0,1]=4 3025 B9R0.4 CC(C)CC(C)OCCF 7a_100000211805_100011217306 [0,2,0,0,0,0|1,0,1]=4 3026 B9R0.4 CC(C)CC(C)OCCN 34a_100000210304_100000731052 [0,2,0,0,0,0|1,0,1]=4 3027 B9R0.4 CC(C)CC(C)OCCO 34a_100000211805_100000211926 [0,2,0,0,0,0|1,0,1]=4 3028 B9R0.4 CC(C)CC(C)OCCO 7a_100000211805_100000211926 [0,2,0,0,0,0|1,0,1]=4 3029 B9R0.4 CC(C)NC(=O)CCC#N 11a_100138425928_100011934036 [0,2,0,0,0,0|1,0,1]=4 3030 B9R0.4 CC(C)NC(=O)CCC#N 1626a_100138425928_100011934036 [0,2,0,0,0,0|1,0,1]=4 3031 B9R0.4 CC(C)NC(=O)CCC#N 240690a_100138425928_100011934036 [0,2,0,0,0,0|1,0,1]=4 3032 B9R0.4 CC(C)NC(=O)CCC#N 527a_100138425928_100011934036 [0,2,0,0,0,0|1,0,1]=4 3033 B9R0.4 CC(C)NC(=O)CCS[13CH3] 62a_100000737564_200025704644 [0,2,0,0,0,0|1,0,0]=3 3034 B9R0.4 CC(C)NC(=O)CCS[13CH3] 62a_200025704644_100000737564 [0,2,0,0,0,0|1,0,0]=3 3035 B9R0.4 CC(C)NC(=O)CSCF 62a_100000183996_100015361967 [0,2,0,0,0,0|2,0,0]=4 3036 B9R0.4 CC(C)NC(=O)CSCF 62a_100015361967_100000183996 [0,2,0,0,0,0|2,0,0]=4 3037 B9R0.4 CC(C)NC(=O)NCCF 2708a_100138425928_100000724931 [0,2,0,0,0,0|2,0,0]=4 3038 B9R0.4 CC(C)NC(=O)NCCF 273464a_100138425928_100000724931 [0,2,0,0,0,0|2,0,0]=4 3039 B9R0.4 CC(C)NC(=O)NCCF 512a_100138425928_100000724931 [0,2,0,0,0,0|2,0,0]=4 3040 B9R0.4 CC(C)NC(=O)NCCO 2708a_100138425928_100000210304 [0,2,0,0,0,0|2,0,0]=4 3041 B9R0.4 CC(C)NC(=O)NCCO 273464a_100138425928_100000210304 [0,2,0,0,0,0|2,0,0]=4 3042 B9R0.4 CC(C)NC(=O)NCCO 512a_100138425928_100000210304 [0,2,0,0,0,0|2,0,0]=4 3043 B9R0.4 CC(C)OC(=O)CCS[13CH3] 62a_100000760027_200025704644 [0,2,0,0,0,0|0,0,0]=2 3044 B9R0.4 CC(C)OC(=O)CCS[13CH3] 62a_200025704644_100000760027 [0,2,0,0,0,0|0,0,0]=2 3045 B9R0.4 CC(C)OC(=O)CSCF 62a_100011215430_100015361967 [0,2,0,0,0,0|1,0,0]=3 3046 B9R0.4 CC(C)OC(=O)CSCF 62a_100015361967_100011215430 [0,2,0,0,0,0|1,0,0]=3 3047 B9R0.4 CC(C)OC(=O)OCS[13CH3] 62a_100000003507_200025704644 [0,2,0,0,0,0|1,0,0]=3 3048 B9R0.4 CC(C)OC(=O)OCS[13CH3] 62a_200025704644_100000003507 [0,2,0,0,0,0|1,0,0]=3 3049 B9R0.4 CC(C)OC(C)CCCCl 34a_200000718107_100000210206 [0,2,0,0,0,0|1,0,1]=4 3050 B9R0.4 CC(C)OC(C)CCCCl 7a_200000718107_100000210206 [0,2,0,0,0,0|1,0,1]=4 3051 B9R0.4 CC(O)CC(=O)C#CCO 1458a_100000049017_100011218427 [0,2,0,0,0,0|1,0,1]=4 3052 B9R0.4 CC(O)CC(=O)CCC#N 1458a_100011934036_100011218427 [0,2,0,0,0,0|1,0,1]=4 3053 B9R0.4 CC=CCC(=O)CC(C)C 1458a_100000210554_100000070051 [0,2,0,0,0,0|1,0,1]=4 3054 B9R0.4 CC=CCC(=O)CC(C)C 1458a_100121576822_100000210624 [0,2,0,0,0,0|1,0,1]=4 3055 B9R0.4 CC=CCC(=O)CC(C)O 1458a_100121576822_100011218427 [0,2,0,0,0,0|1,0,1]=4 3056 B9R0.4 CC=CCC(=O)C[C@@H](C)O 1458a_100011933948_100000070051 [0,2,0,0,0,0|1,0,1]=4 3057 B9R0.4 CC=CCC(=O)NC(C)C 11a_100138425928_100121576822 [0,2,0,0,0,0|1,0,1]=4 3058 B9R0.4 CC=CCC(=O)NC(C)C 1626a_100138425928_100121576822 [0,2,0,0,0,0|1,0,1]=4 3059 B9R0.4 CC=CCC(=O)NC(C)C 240690a_100138425928_100121576822 [0,2,0,0,0,0|1,0,1]=4 3060 B9R0.4 CC=CCC(=O)NC(C)C 527a_100138425928_100121576822 [0,2,0,0,0,0|1,0,1]=4 3061 B9R0.4 CC=NNC(=O)CC(C)C 4a_100000189787_200000210099 [0,2,0,0,0,0|1,0,1]=4 3062 B9R0.4 CCC#CC(=O)CC(C)C 1458a_100011827653_100000210624 [0,2,0,0,0,0|1,0,0]=3 3063 B9R0.4 CCC#CC(=O)CC(C)O 1458a_100011827653_100011218427 [0,2,0,0,0,0|1,0,0]=3 3064 B9R0.4 CCC#CC(=O)CC(F)F 1458a_100011827653_100011934356 [0,2,0,0,0,0|2,0,0]=4 3065 B9R0.4 CCC=CC(=O)CC(C)C 1458a_100000212282_100000210624 [0,2,0,0,0,0|1,0,0]=3 3066 B9R0.4 CCC=CC(=O)CC(C)O 1458a_100000212282_100011218427 [0,2,0,0,0,0|1,0,0]=3 3067 B9R0.4 CCC=CC(=O)CC(F)F 1458a_100000212282_100011934356 [0,2,0,0,0,0|2,0,0]=4 3068 B9R0.4 CCC=CC(=O)NC(C)C 11a_100138425928_100000212282 [0,2,0,0,0,0|1,0,1]=4 3069 B9R0.4 CCC=CC(=O)NC(C)C 1626a_100138425928_100000212282 [0,2,0,0,0,0|1,0,1]=4 3070 B9R0.4 CCC=CC(=O)NC(C)C 240690a_100138425928_100000212282 [0,2,0,0,0,0|1,0,1]=4 3071 B9R0.4 CCCCC(=O)C=C(C)C 1458a_100000211388_100000210211 [0,2,0,0,0,0|1,0,1]=4 3072 B9R0.4 CCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210211 [0,2,0,0,0,0|1,0,1]=4 3073 B9R0.4 CCCCC(=O)C=C(C)I 1458a_100025716642_100000210211 [0,2,0,0,0,0|1,0,1]=4 3074 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210183_100000210624 [0,2,0,0,0,0|1,0,0]=3 3075 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210554_100000210211 [0,2,0,0,0,0|1,0,0]=3 3076 B9R0.4 CCCCC(=O)CC(C)O 1458a_100000210183_100011218427 [0,2,0,0,0,0|1,0,0]=3 3077 B9R0.4 CCCCC(=O)CC(F)F 1458a_100000210183_100011934356 [0,2,0,0,0,0|2,0,0]=4 3078 B9R0.4 CCCCC(=O)CN(C)C 1458a_100000750896_100000210211 [0,2,0,0,0,0|2,0,0]=4 3079 B9R0.4 CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210211 [0,2,0,0,0,0|1,0,0]=3 3080 B9R0.4 CCCCC(=O)C[S+](C)C 1458a_200159257847_100000210211 [0,2,0,0,0,0|2,0,0]=4 3081 B9R0.4 CCCCC(=O)NC(C)C 11a_100138425928_100000210183 [0,2,0,0,0,0|1,0,0]=3 3082 B9R0.4 CCCCC(=O)NC(C)C 1626a_100138425928_100000210183 [0,2,0,0,0,0|1,0,0]=3 3083 B9R0.4 CCCCC(=O)NC(C)C 240690a_100138425928_100000210183 [0,2,0,0,0,0|1,0,0]=3 3084 B9R0.4 CCCCC(=O)NC(C)C 527a_100138425928_100000210183 [0,2,0,0,0,0|1,0,0]=3 3085 B9R0.4 CCCCC(C)OC(C)C 34a_100000212225_200011215066 [0,2,0,0,0,0|1,0,1]=4 3086 B9R0.4 CCCCC(C)OC(C)C 34a_100000687866_100000210206 [0,2,0,0,0,0|1,0,1]=4 3087 B9R0.4 CCCCC(C)OC(C)C 7a_100000687866_100000210206 [0,2,0,0,0,0|1,0,1]=4 3088 B9R0.4 CCCNC(=O)C=C(C)C 11a_100020643023_100000211388 [0,2,0,0,0,0|1,0,1]=4 3089 B9R0.4 CCCNC(=O)C=C(C)C 1626a_100020643023_100000211388 [0,2,0,0,0,0|1,0,1]=4 3090 B9R0.4 CCCNC(=O)C=C(C)C 240690a_100020643023_100000211388 [0,2,0,0,0,0|1,0,1]=4 3091 B9R0.4 CCCNC(=O)C=C(C)Cl 11a_100020643023_200042562850 [0,2,0,0,0,0|1,0,1]=4 3092 B9R0.4 CCCNC(=O)C=C(C)Cl 1626a_100020643023_200042562850 [0,2,0,0,0,0|1,0,1]=4 3093 B9R0.4 CCCNC(=O)C=C(C)Cl 240690a_100020643023_200042562850 [0,2,0,0,0,0|1,0,1]=4 3094 B9R0.4 CCCNC(=O)C=C(C)I 11a_100020643023_100025716642 [0,2,0,0,0,0|1,0,1]=4 3095 B9R0.4 CCCNC(=O)C=C(C)I 1626a_100020643023_100025716642 [0,2,0,0,0,0|1,0,1]=4 3096 B9R0.4 CCCNC(=O)CC(=O)C 1458a_100000070787_100000183358 [0,2,0,0,0,0|1,0,1]=4 3097 B9R0.4 CCCNC(=O)CC(C)C 11a_100020643023_100000210554 [0,2,0,0,0,0|1,0,0]=3 3098 B9R0.4 CCCNC(=O)CC(C)C 1626a_100020643023_100000210554 [0,2,0,0,0,0|1,0,0]=3 3099 B9R0.4 CCCNC(=O)CC(C)C 240690a_100020643023_100000210554 [0,2,0,0,0,0|1,0,0]=3 3100 B9R0.4 CCCNC(=O)CC(C)C 527a_100020643023_100000210554 [0,2,0,0,0,0|1,0,0]=3 3101 B9R0.4 CCCNC(=O)CN(C)C 11a_100020643023_100000750896 [0,2,0,0,0,0|2,0,0]=4 3102 B9R0.4 CCCNC(=O)CN(C)C 2230a_100000684209_200000210301 [0,2,0,0,0,0|2,0,0]=4 3103 B9R0.4 CCCNC(=O)CN(C)C 2230a_100102631434_100000183358 [0,2,0,0,0,0|2,0,0]=4 3104 B9R0.4 CCCNC(=O)CN(C)C 240690a_100020643023_100000750896 [0,2,0,0,0,0|2,0,0]=4 3105 B9R0.4 CCCNC(=O)CN(C)C 269982a_100000684209_200000210301 [0,2,0,0,0,0|2,0,0]=4 3106 B9R0.4 CCCNC(=O)CN(C)C 269982a_100102631434_100000183358 [0,2,0,0,0,0|2,0,0]=4 3107 B9R0.4 CCCNC(=O)CN(C)C 527a_100020643023_100000750896 [0,2,0,0,0,0|2,0,0]=4 3108 B9R0.4 CCCNC(=O)CN(C)[13CH3] 2230a_100000684209_200025704644 [0,2,0,0,0,0|2,0,0]=4 3109 B9R0.4 CCCNC(=O)CN(C)[13CH3] 269982a_100000684209_200025704644 [0,2,0,0,0,0|2,0,0]=4 3110 B9R0.4 CCCNC(=O)C[C@@H](C)O 240690a_100020643023_100011933948 [0,2,0,0,0,0|1,0,0]=3 3111 B9R0.4 CCCNC(=O)C[S+](C)C 11a_100020643023_200159257847 [0,2,0,0,0,0|2,0,0]=4 3112 B9R0.4 CCCNC(=O)C[S+](C)C 1626a_100020643023_200159257847 [0,2,0,0,0,0|2,0,0]=4 3113 B9R0.4 CCCNC(=O)C[S+](C)C 240690a_100020643023_200159257847 [0,2,0,0,0,0|2,0,0]=4 3114 B9R0.4 CCCNC(=O)C[S+](C)C 527a_100020643023_200159257847 [0,2,0,0,0,0|2,0,0]=4 3115 B9R0.4 CCCNC(=O)NC(C)C 2708a_100020643023_100138425928 [0,2,0,0,0,0|1,0,0]=3 3116 B9R0.4 CCCNC(=O)NC(C)C 2708a_100138425928_100020643023 [0,2,0,0,0,0|1,0,0]=3 3117 B9R0.4 CCCNC(=O)NC(C)C 273464a_100138425928_100020643023 [0,2,0,0,0,0|1,0,0]=3 3118 B9R0.4 CCCNC(=O)NC(C)C 512a_100020643023_100138425928 [0,2,0,0,0,0|1,0,0]=3 3119 B9R0.4 CCCNC(=O)NC(C)C 512a_100138425928_100020643023 [0,2,0,0,0,0|1,0,0]=3 3120 B9R0.4 CCCOC(=O)CC(=O)C 1458a_100000070787_200011215008 [0,2,0,0,0,0|0,0,1]=3 3121 B9R0.4 CCCOC(=O)CN(C)C 2230a_100102631434_200011215008 [0,2,0,0,0,0|1,0,0]=3 3122 B9R0.4 CCCOC(=O)CN(C)C 269982a_100102631434_200011215008 [0,2,0,0,0,0|1,0,0]=3 3123 B9R0.4 CCCOC(C)CC(C)C 34a_100000210258_100000731052 [0,2,0,0,0,0|1,0,1]=4 3124 B9R0.4 CCCOC(C)CC(C)C 34a_100000211805_100000210303 [0,2,0,0,0,0|1,0,1]=4 3125 B9R0.4 CCCOC(C)CC(C)C 7a_100000211805_100000210303 [0,2,0,0,0,0|1,0,1]=4 3126 B9R0.4 CCNCC(=O)NC(C)C 2230a_100000168517_100000210202 [0,2,0,0,0,0|1,0,0]=3 3127 B9R0.4 CCNCC(=O)NC(C)C 2230a_100015525214_100000183996 [0,2,0,0,0,0|1,0,0]=3 3128 B9R0.4 CCNCC(=O)OC(C)C 2230a_100015525214_100011215430 [0,2,0,0,0,0|0,0,0]=2 3129 B9R0.4 CCNNC(=O)CC(C)C 22a_100000756455_100000210554 [0,2,0,0,0,0|1,0,0]=3 3130 B9R0.4 CCNNC(=O)CN(C)C 22a_100000756455_100000750896 [0,2,0,0,0,0|2,0,0]=4 3131 B9R0.4 CCNNC(=O)C[C@@H](C)O 22a_100000756455_100011933948 [0,2,0,0,0,0|1,0,0]=3 3132 B9R0.4 CCNNC(=O)C[S+](C)C 22a_100000756455_200159257847 [0,2,0,0,0,0|2,0,0]=4 3133 B9R0.4 CCNNC(=O)NC(C)C 273464a_100138425928_100000756455 [0,2,0,0,0,0|2,0,0]=4 3134 B9R0.4 CCNNC(=O)NC(C)C 512a_100000756455_100138425928 [0,2,0,0,0,0|2,0,0]=4 3135 B9R0.4 CCNNC(=O)NC(C)C 512a_100138425928_100000756455 [0,2,0,0,0,0|2,0,0]=4 3136 B9R0.4 CCOCC(=O)CC(=O)N 1458a_100000211967_100000187820 [0,2,0,0,0,0|1,0,1]=4 3137 B9R0.4 CCOCC(=O)CC(=O)[O-] 1458a_100000211967_100020667443 [0,2,0,0,0,0|1,0,1]=4 3138 B9R0.4 CCOCC(=O)CC(C)C 1458a_100000211967_100000210624 [0,2,0,0,0,0|0,0,0]=2 3139 B9R0.4 CCOCC(=O)CC(C)O 1458a_100000211967_100011218427 [0,2,0,0,0,0|0,0,0]=2 3140 B9R0.4 CCOCC(=O)CC(F)F 1458a_100000211967_100011934356 [0,2,0,0,0,0|1,0,0]=3 3141 B9R0.4 CCOCC(=O)C[N+](=O)[O-] 1458a_100000211967_100000761209 [0,2,0,0,0,0|2,0,0]=4 3142 B9R0.4 CCOCC(=O)NC(C)C 11a_100138425928_100000211967 [0,2,0,0,0,0|1,0,0]=3 3143 B9R0.4 CCOCC(=O)NC(C)C 1626a_100138425928_100000211967 [0,2,0,0,0,0|1,0,0]=3 3144 B9R0.4 CCOCC(=O)NC(C)C 240690a_100138425928_100000211967 [0,2,0,0,0,0|1,0,0]=3 3145 B9R0.4 CCOCC(=O)NC(C)C 34a_100121572206_100000183996 [0,2,0,0,0,0|1,0,0]=3 3146 B9R0.4 CCOCC(=O)NC(C)C 527a_100138425928_100000211967 [0,2,0,0,0,0|1,0,0]=3 3147 B9R0.4 CCOCC(=O)OC(C)C 34a_100121572206_100011215430 [0,2,0,0,0,0|0,0,0]=2 3148 B9R0.4 CCOCC(C)OC(C)C 34a_100000718985_100000210206 [0,2,0,0,0,0|1,0,1]=4 3149 B9R0.4 CCOCC(C)OC(C)C 7a_100000718985_100000210206 [0,2,0,0,0,0|1,0,1]=4 3150 B9R0.4 CCOCN(C)CC(C)C 269982a_100000747067_100000739092 [0,2,0,0,0,0|2,0,0]=4 3151 B9R0.4 CCOCN(C)CC(C)O 269982a_100000227577_100000739092 [0,2,0,0,0,0|2,0,0]=4 3152 B9R0.4 CCOC[C@@H](N)CC(C)C 34a_100011830311_100000210202 [0,2,0,0,0,0|1,0,1]=4 3153 B9R0.4 CCSCC(=O)CC(C)C 1458a_100000230394_100000210624 [0,2,0,0,0,0|0,1,0]=3 3154 B9R0.4 CCSCC(=O)CC(C)O 1458a_100000230394_100011218427 [0,2,0,0,0,0|0,1,0]=3 3155 B9R0.4 CCSCC(=O)CC(F)F 1458a_100000230394_100011934356 [0,2,0,0,0,0|1,1,0]=4 3156 B9R0.4 CCSCC(=O)NC(=O)C 62a_100000210202_100000183797 [0,2,0,0,0,0|1,0,1]=4 3157 B9R0.4 CCSCC(=O)NC(C)C 11a_100138425928_100000230394 [0,2,0,0,0,0|1,0,0]=3 3158 B9R0.4 CCSCC(=O)NC(C)C 1626a_100138425928_100000230394 [0,2,0,0,0,0|1,0,0]=3 3159 B9R0.4 CCSCC(=O)NC(C)C 240690a_100138425928_100000230394 [0,2,0,0,0,0|1,0,0]=3 3160 B9R0.4 CCSCC(=O)NC(C)C 527a_100138425928_100000230394 [0,2,0,0,0,0|1,0,0]=3 3161 B9R0.4 CCSCC(=O)NC(C)C 62a_100000183996_100000210202 [0,2,0,0,0,0|1,0,0]=3 3162 B9R0.4 CCSCC(=O)NC(C)C 62a_100000210202_100000183996 [0,2,0,0,0,0|1,0,0]=3 3163 B9R0.4 CCSCC(=O)OC(C)C 62a_100000210202_100011215430 [0,2,0,0,0,0|0,0,0]=2 3164 B9R0.4 CCSCC(=O)OC(C)C 62a_100011215430_100000210202 [0,2,0,0,0,0|0,0,0]=2 3165 B9R0.4 CN(C)CC(=O)CCCF 1458a_100000750896_100011934791 [0,2,0,0,0,0|2,0,0]=4 3166 B9R0.4 CN(C)CC(=O)CCCO 1458a_100000750896_100011215043 [0,2,0,0,0,0|2,0,0]=4 3167 B9R0.4 CN(C)CC(=O)NCCF 11a_100000724931_100000750896 [0,2,0,0,0,0|2,0,0]=4 3168 B9R0.4 CN(C)CC(=O)NCCF 240690a_100000724931_100000750896 [0,2,0,0,0,0|2,0,0]=4 3169 B9R0.4 CN(C)CC(=O)NCCF 527a_100000724931_100000750896 [0,2,0,0,0,0|2,0,0]=4 3170 B9R0.4 CN(C)CC(=O)NCCO 240690a_100000210304_100000750896 [0,2,0,0,0,0|2,0,0]=4 3171 B9R0.4 CN(C)CC(=O)NCCO 527a_100000210304_100000750896 [0,2,0,0,0,0|2,0,0]=4 3172 B9R0.4 CNCCC(=O)NC(C)C 2230a_106832991635_100000737564 [0,2,0,0,0,0|1,0,0]=3 3173 B9R0.4 CNCCC(=O)NC(C)C 7a_106832991635_100000737564 [0,2,0,0,0,0|1,0,0]=3 3174 B9R0.4 CNCCC(=O)OC(C)C 2230a_106832991635_100000760027 [0,2,0,0,0,0|0,0,0]=2 3175 B9R0.4 CNCCC(=O)OC(C)C 7a_106832991635_100000760027 [0,2,0,0,0,0|0,0,0]=2 3176 B9R0.4 COC=CC(=O)CC(C)C 1458a_100016268678_100000210624 [0,2,0,0,0,0|1,0,1]=4 3177 B9R0.4 COC=CC(=O)CC(C)O 1458a_100016268678_100011218427 [0,2,0,0,0,0|1,0,1]=4 3178 B9R0.4 COCCC(=O)C=C(C)C 1458a_100000211388_100000233755 [0,2,0,0,0,0|1,0,1]=4 3179 B9R0.4 COCCC(=O)C=C(C)Cl 1458a_200042562850_100000233755 [0,2,0,0,0,0|1,0,1]=4 3180 B9R0.4 COCCC(=O)C=C(C)I 1458a_100025716642_100000233755 [0,2,0,0,0,0|1,0,1]=4 3181 B9R0.4 COCCC(=O)CC(C)C 1458a_100000210554_100000233755 [0,2,0,0,0,0|1,0,0]=3 3182 B9R0.4 COCCC(=O)CC(C)C 1458a_100000749529_100000210624 [0,2,0,0,0,0|1,0,0]=3 3183 B9R0.4 COCCC(=O)CC(C)O 1458a_100000749529_100011218427 [0,2,0,0,0,0|1,0,0]=3 3184 B9R0.4 COCCC(=O)CC(F)F 1458a_100000749529_100011934356 [0,2,0,0,0,0|2,0,0]=4 3185 B9R0.4 COCCC(=O)CN(C)C 1458a_100000750896_100000233755 [0,2,0,0,0,0|2,0,0]=4 3186 B9R0.4 COCCC(=O)C[C@@H](C)O 1458a_100011933948_100000233755 [0,2,0,0,0,0|1,0,0]=3 3187 B9R0.4 COCCC(=O)C[S+](C)C 1458a_200159257847_100000233755 [0,2,0,0,0,0|2,0,0]=4 3188 B9R0.4 COCCC(=O)NC(C)C 11a_100138425928_100000749529 [0,2,0,0,0,0|1,0,0]=3 3189 B9R0.4 COCCC(=O)NC(C)C 1626a_100138425928_100000749529 [0,2,0,0,0,0|1,0,0]=3 3190 B9R0.4 COCCC(=O)NC(C)C 240690a_100138425928_100000749529 [0,2,0,0,0,0|1,0,0]=3 3191 B9R0.4 COCCC(=O)NC(C)C 527a_100138425928_100000749529 [0,2,0,0,0,0|1,0,0]=3 3192 B9R0.4 CSCCC(=O)C=C(C)C 1458a_100000211388_100000751147 [0,2,0,0,0,0|1,0,1]=4 3193 B9R0.4 CSCCC(=O)C=C(C)Cl 1458a_200042562850_100000751147 [0,2,0,0,0,0|1,0,1]=4 3194 B9R0.4 CSCCC(=O)C=C(C)I 1458a_100025716642_100000751147 [0,2,0,0,0,0|1,0,1]=4 3195 B9R0.4 CSCCC(=O)CC(C)C 1458a_100000174002_100000210624 [0,2,0,0,0,0|1,0,0]=3 3196 B9R0.4 CSCCC(=O)CC(C)C 1458a_100000210554_100000751147 [0,2,0,0,0,0|1,0,0]=3 3197 B9R0.4 CSCCC(=O)CC(C)O 1458a_100000174002_100011218427 [0,2,0,0,0,0|1,0,0]=3 3198 B9R0.4 CSCCC(=O)CC(F)F 1458a_100000174002_100011934356 [0,2,0,0,0,0|2,0,0]=4 3199 B9R0.4 CSCCC(=O)CN(C)C 1458a_100000750896_100000751147 [0,2,0,0,0,0|2,0,0]=4 3200 B9R0.4 CSCCC(=O)C[C@@H](C)O 1458a_100011933948_100000751147 [0,2,0,0,0,0|1,0,0]=3 3201 B9R0.4 CSCCC(=O)C[S+](C)C 1458a_200159257847_100000751147 [0,2,0,0,0,0|2,0,0]=4 3202 B9R0.4 CSCCC(=O)NC(C)C 11a_100138425928_100000174002 [0,2,0,0,0,0|1,0,0]=3 3203 B9R0.4 CSCCC(=O)NC(C)C 1626a_100138425928_100000174002 [0,2,0,0,0,0|1,0,0]=3 3204 B9R0.4 CSCCC(=O)NC(C)C 240690a_100138425928_100000174002 [0,2,0,0,0,0|1,0,0]=3 3205 B9R0.4 CSCCC(=O)NC(C)C 527a_100138425928_100000174002 [0,2,0,0,0,0|1,0,0]=3 3206 B9R0.4 CSCCC(=O)NC(C)C 62a_100000737564_200000210301 [0,2,0,0,0,0|1,0,0]=3 3207 B9R0.4 CSCCC(=O)NC(C)C 62a_200000210301_100000737564 [0,2,0,0,0,0|1,0,0]=3 3208 B9R0.4 CSCCC(=O)OC(C)C 62a_100000760027_200000210301 [0,2,0,0,0,0|0,0,0]=2 3209 B9R0.4 CSCCC(=O)OC(C)C 62a_200000210301_100000760027 [0,2,0,0,0,0|0,0,0]=2 3210 B9R0.4 CSCOC(=O)OC(C)C 62a_100000003507_200000210301 [0,2,0,0,0,0|1,0,0]=3 3211 B9R0.4 CSCOC(=O)OC(C)C 62a_200000210301_100000003507 [0,2,0,0,0,0|1,0,0]=3 3212 B9R0.4 CSCOC(C)CC(C)C 34a_100000211805_100011218213 [0,2,0,0,0,0|1,0,1]=4 3213 B9R0.4 C[C@@H](O)CC(=O)CCC#N 1458a_100011933948_100011215226 [0,2,0,0,0,0|1,0,1]=4 3214 B9R0.4 C[C@@H](O)CC(=O)CCCF 1458a_100011933948_100011934791 [0,2,0,0,0,0|1,0,0]=3 3215 B9R0.4 C[C@@H](O)CC(=O)CCCO 1458a_100011933948_100011215043 [0,2,0,0,0,0|1,0,0]=3 3216 B9R0.4 C[C@@H](O)CC(=O)NCCF 240690a_100000724931_100011933948 [0,2,0,0,0,0|1,0,0]=3 3217 B9R0.4 C[C@@H](O)CC(=O)NCCO 240690a_100000210304_100011933948 [0,2,0,0,0,0|1,0,0]=3 3218 B9R0.4 C[S+](C)CC(=O)CCCF 1458a_200159257847_100011934791 [0,2,0,0,0,0|2,0,0]=4 3219 B9R0.4 C[S+](C)CC(=O)CCCO 1458a_200159257847_100011215043 [0,2,0,0,0,0|2,0,0]=4 3220 B9R0.4 C[S+](C)CC(=O)NCCF 11a_100000724931_200159257847 [0,2,0,0,0,0|2,0,0]=4 3221 B9R0.4 C[S+](C)CC(=O)NCCF 1626a_100000724931_200159257847 [0,2,0,0,0,0|2,0,0]=4 3222 B9R0.4 C[S+](C)CC(=O)NCCF 240690a_100000724931_200159257847 [0,2,0,0,0,0|2,0,0]=4 3223 B9R0.4 C[S+](C)CC(=O)NCCF 527a_100000724931_200159257847 [0,2,0,0,0,0|2,0,0]=4 3224 B9R0.4 C[S+](C)CC(=O)NCCO 240690a_100000210304_200159257847 [0,2,0,0,0,0|2,0,0]=4 3225 B9R0.4 C[S+](C)CC(=O)NCCO 527a_100000210304_200159257847 [0,2,0,0,0,0|2,0,0]=4 3226 B9R0.5 C#CCC(=O)C=COCC 1458a_100016266692_100000184674 [0,2,0,0,0,0|0,0,2]=4 3227 B9R0.5 C#CCC(=O)CCOCC 1458a_100000749530_100000184674 [0,2,0,0,0,0|0,0,2]=4 3228 B9R0.5 C#CCC(=O)CCOCC 1458a_100011220946_100011215890 [0,2,0,0,0,0|0,0,2]=4 3229 B9R0.5 C#CCC(=O)COCCC 1458a_100000745993_100000184674 [0,2,0,0,0,0|0,0,2]=4 3230 B9R0.5 C#CCC(=O)COCCO 1458a_100000708028_100000184674 [0,2,0,0,0,0|0,0,2]=4 3231 B9R0.5 C#CCCCC(=O)C#CC 1458a_100000763181_100000731252 [0,2,0,0,0,0|1,0,1]=4 3232 B9R0.5 C#CCCCC(=O)C=CC 1458a_100000210699_100000731252 [0,2,0,0,0,0|1,0,1]=4 3233 B9R0.5 C#CCCCC(=O)CCC 1458a_100000211992_100000731252 [0,2,0,0,0,0|1,0,0]=3 3234 B9R0.5 C#CCCCC(=O)CCC 1458a_100000690238_100000210303 [0,2,0,0,0,0|1,0,0]=3 3235 B9R0.5 C#CCCCC(=O)CCF 1458a_100000690238_100011217306 [0,2,0,0,0,0|2,0,0]=4 3236 B9R0.5 C#CCCCC(=O)CCO 1458a_100000690238_100000211926 [0,2,0,0,0,0|2,0,0]=4 3237 B9R0.5 C#CCCCC(=O)CCO 1458a_100011216618_100000731252 [0,2,0,0,0,0|2,0,0]=4 3238 B9R0.5 C#CCCCC(=O)COC 1458a_100000210968_100000731252 [0,2,0,0,0,0|2,0,0]=4 3239 B9R0.5 C#CCCCC(=O)CSC 1458a_100000184570_100000731252 [0,2,0,0,0,0|2,0,0]=4 3240 B9R0.5 C#CCCCC(=O)NCC 11a_100015525214_100000690238 [0,2,0,0,0,0|1,0,0]=3 3241 B9R0.5 C#CCCCC(=O)NCC 240690a_100015525214_100000690238 [0,2,0,0,0,0|1,0,0]=3 3242 B9R0.5 C#CCCCC(=O)NCC 527a_100015525214_100000690238 [0,2,0,0,0,0|1,0,0]=3 3243 B9R0.5 C#CCCCC(=O)NNC 22a_100016993582_100000690238 [0,2,0,0,0,0|2,0,0]=4 3244 B9R0.5 C#CCCNC(=O)CCC 11a_100000755551_100000211992 [0,2,0,0,0,0|1,0,0]=3 3245 B9R0.5 C#CCCNC(=O)CCC 1626a_100000755551_100000211992 [0,2,0,0,0,0|1,0,0]=3 3246 B9R0.5 C#CCCNC(=O)CCC 240690a_100000755551_100000211992 [0,2,0,0,0,0|1,0,0]=3 3247 B9R0.5 C#CCCNC(=O)CCC 527a_100000755551_100000211992 [0,2,0,0,0,0|1,0,0]=3 3248 B9R0.5 C#CCCNC(=O)CCO 240690a_100000755551_100011216618 [0,2,0,0,0,0|2,0,0]=4 3249 B9R0.5 C#CCCNC(=O)COC 11a_100000755551_100000210968 [0,2,0,0,0,0|2,0,0]=4 3250 B9R0.5 C#CCCNC(=O)COC 1626a_100000755551_100000210968 [0,2,0,0,0,0|2,0,0]=4 3251 B9R0.5 C#CCCNC(=O)COC 240690a_100000755551_100000210968 [0,2,0,0,0,0|2,0,0]=4 3252 B9R0.5 C#CCCNC(=O)COC 527a_100000755551_100000210968 [0,2,0,0,0,0|2,0,0]=4 3253 B9R0.5 C#CCCNC(=O)CSC 11a_100000755551_100000184570 [0,2,0,0,0,0|2,0,0]=4 3254 B9R0.5 C#CCCNC(=O)CSC 1626a_100000755551_100000184570 [0,2,0,0,0,0|2,0,0]=4 3255 B9R0.5 C#CCCNC(=O)CSC 240690a_100000755551_100000184570 [0,2,0,0,0,0|2,0,0]=4 3256 B9R0.5 C#CCCNC(=O)CSC 527a_100000755551_100000184570 [0,2,0,0,0,0|2,0,0]=4 3257 B9R0.5 C#CCCNC(=O)NCC 2708a_100000755551_100015525214 [0,2,0,0,0,0|1,0,1]=4 3258 B9R0.5 C#CCCNC(=O)NCC 2708a_100015525214_100000755551 [0,2,0,0,0,0|1,0,1]=4 3259 B9R0.5 C#CCCNC(=O)NCC 273464a_100000755551_100015525214 [0,2,0,0,0,0|1,0,1]=4 3260 B9R0.5 C#CCCNC(=O)NCC 273464a_100015525214_100000755551 [0,2,0,0,0,0|1,0,1]=4 3261 B9R0.5 C#CCCNC(=O)NCC 512a_100000755551_100015525214 [0,2,0,0,0,0|1,0,1]=4 3262 B9R0.5 C#CCCNC(=O)NCC 512a_100015525214_100000755551 [0,2,0,0,0,0|1,0,1]=4 3263 B9R0.5 C#CCCOC(C)CCC 34a_100000764384_100000688953 [0,2,0,0,0,0|1,0,1]=4 3264 B9R0.5 C#CCCOC(C)CCC 34a_100011215631_100000766640 [0,2,0,0,0,0|1,0,1]=4 3265 B9R0.5 C#CCCOC(C)CCC 7a_100000764384_100000688953 [0,2,0,0,0,0|1,0,1]=4 3266 B9R0.5 C#CCNCC(=O)NCC 2230a_100016988866_100000038162 [0,2,0,0,0,0|1,0,1]=4 3267 B9R0.5 C#CCNCC(=O)NCC 34a_100000212058_100000183381 [0,2,0,0,0,0|1,0,1]=4 3268 B9R0.5 C#CCNCC(=O)OCC 34a_100000212058_100000188475 [0,2,0,0,0,0|0,0,1]=3 3269 B9R0.5 C#CCOCC(=O)CCC 1458a_100011251226_100000210303 [0,2,0,0,0,0|0,0,1]=3 3270 B9R0.5 C#CCOCC(=O)CCF 1458a_100011251226_100011217306 [0,2,0,0,0,0|1,0,1]=4 3271 B9R0.5 C#CCOCC(=O)CCO 1458a_100011251226_100000211926 [0,2,0,0,0,0|1,0,1]=4 3272 B9R0.5 C#CCOCC(=O)NCC 11a_100015525214_100011251226 [0,2,0,0,0,0|1,0,1]=4 3273 B9R0.5 C#CCOCC(=O)NCC 34a_100000210247_100000183381 [0,2,0,0,0,0|1,0,1]=4 3274 B9R0.5 C#CCOCC(=O)NCC 527a_100015525214_100011251226 [0,2,0,0,0,0|1,0,1]=4 3275 B9R0.5 C#CCOCC(=O)OCC 34a_100000210247_100000188475 [0,2,0,0,0,0|0,0,1]=3 3276 B9R0.5 C#CCSCC(=O)CCC 62a_100000038162_100000747444 [0,2,0,0,0,0|0,1,1]=4 3277 B9R0.5 C#CCSCC(=O)NCC 62a_100000038162_100000183381 [0,2,0,0,0,0|1,0,1]=4 3278 B9R0.5 C#CCSCC(=O)OCC 62a_100000038162_100000188475 [0,2,0,0,0,0|0,0,1]=3 3279 B9R0.5 C/C=C/C=CC(=O)CCC 1458a_100000185730_100000210303 [0,2,0,0,0,0|1,0,1]=4 3280 B9R0.5 C/C=C/COC(C)CCC 34a_100000764384_100102629194 [0,2,0,0,0,0|1,0,1]=4 3281 B9R0.5 C/C=C/COC(C)CCC 34a_100016270725_100000766640 [0,2,0,0,0,0|1,0,1]=4 3282 B9R0.5 C/C=C/COC(C)CCC 7a_100000764384_100102629194 [0,2,0,0,0,0|1,0,1]=4 3283 B9R0.5 C=CCC(=O)C=COCC 1458a_100016266692_100000210623 [0,2,0,0,0,0|0,0,2]=4 3284 B9R0.5 C=CCC(=O)CCOCC 1458a_100000210193_100011215890 [0,2,0,0,0,0|0,0,2]=4 3285 B9R0.5 C=CCC(=O)CCOCC 1458a_100000749530_100000210623 [0,2,0,0,0,0|0,0,2]=4 3286 B9R0.5 C=CCC(=O)COCCC 1458a_100000745993_100000210623 [0,2,0,0,0,0|0,0,2]=4 3287 B9R0.5 C=CCC(=O)COCCO 1458a_100000708028_100000210623 [0,2,0,0,0,0|0,0,2]=4 3288 B9R0.5 C=CCCCC(=O)C#CC 1458a_100000763181_100000757094 [0,2,0,0,0,0|1,0,1]=4 3289 B9R0.5 C=CCCCC(=O)C=CC 1458a_100000210699_100000757094 [0,2,0,0,0,0|1,0,1]=4 3290 B9R0.5 C=CCCCC(=O)CCC 1458a_100000211992_100000757094 [0,2,0,0,0,0|1,0,0]=3 3291 B9R0.5 C=CCCCC(=O)CCC 1458a_100000766728_100000210303 [0,2,0,0,0,0|1,0,0]=3 3292 B9R0.5 C=CCCCC(=O)CCF 1458a_100000766728_100011217306 [0,2,0,0,0,0|2,0,0]=4 3293 B9R0.5 C=CCCCC(=O)CCO 1458a_100000766728_100000211926 [0,2,0,0,0,0|2,0,0]=4 3294 B9R0.5 C=CCCCC(=O)CCO 1458a_100011216618_100000757094 [0,2,0,0,0,0|2,0,0]=4 3295 B9R0.5 C=CCCCC(=O)COC 1458a_100000210968_100000757094 [0,2,0,0,0,0|2,0,0]=4 3296 B9R0.5 C=CCCCC(=O)CSC 1458a_100000184570_100000757094 [0,2,0,0,0,0|2,0,0]=4 3297 B9R0.5 C=CCCCC(=O)NCC 11a_100015525214_100000766728 [0,2,0,0,0,0|1,0,0]=3 3298 B9R0.5 C=CCCCC(=O)NCC 240690a_100015525214_100000766728 [0,2,0,0,0,0|1,0,0]=3 3299 B9R0.5 C=CCCCC(=O)NCC 527a_100015525214_100000766728 [0,2,0,0,0,0|1,0,0]=3 3300 B9R0.5 C=CCCCC(=O)NNC 22a_100016993582_100000766728 [0,2,0,0,0,0|2,0,0]=4 3301 B9R0.5 C=CCCNC(=O)CCC 11a_100015191253_100000211992 [0,2,0,0,0,0|1,0,0]=3 3302 B9R0.5 C=CCCNC(=O)CCC 1626a_100015191253_100000211992 [0,2,0,0,0,0|1,0,0]=3 3303 B9R0.5 C=CCCNC(=O)CCC 240690a_100015191253_100000211992 [0,2,0,0,0,0|1,0,0]=3 3304 B9R0.5 C=CCCNC(=O)CCC 527a_100015191253_100000211992 [0,2,0,0,0,0|1,0,0]=3 3305 B9R0.5 C=CCCNC(=O)CCO 240690a_100015191253_100011216618 [0,2,0,0,0,0|2,0,0]=4 3306 B9R0.5 C=CCCNC(=O)COC 11a_100015191253_100000210968 [0,2,0,0,0,0|2,0,0]=4 3307 B9R0.5 C=CCCNC(=O)COC 1626a_100015191253_100000210968 [0,2,0,0,0,0|2,0,0]=4 3308 B9R0.5 C=CCCNC(=O)COC 240690a_100015191253_100000210968 [0,2,0,0,0,0|2,0,0]=4 3309 B9R0.5 C=CCCNC(=O)COC 527a_100015191253_100000210968 [0,2,0,0,0,0|2,0,0]=4 3310 B9R0.5 C=CCCNC(=O)CSC 11a_100015191253_100000184570 [0,2,0,0,0,0|2,0,0]=4 3311 B9R0.5 C=CCCNC(=O)CSC 1626a_100015191253_100000184570 [0,2,0,0,0,0|2,0,0]=4 3312 B9R0.5 C=CCCNC(=O)CSC 240690a_100015191253_100000184570 [0,2,0,0,0,0|2,0,0]=4 3313 B9R0.5 C=CCCNC(=O)CSC 527a_100015191253_100000184570 [0,2,0,0,0,0|2,0,0]=4 3314 B9R0.5 C=CCCNC(=O)NCC 2708a_100015191253_100015525214 [0,2,0,0,0,0|1,0,1]=4 3315 B9R0.5 C=CCCNC(=O)NCC 2708a_100015525214_100015191253 [0,2,0,0,0,0|1,0,1]=4 3316 B9R0.5 C=CCCNC(=O)NCC 273464a_100015191253_100015525214 [0,2,0,0,0,0|1,0,1]=4 3317 B9R0.5 C=CCCNC(=O)NCC 273464a_100015525214_100015191253 [0,2,0,0,0,0|1,0,1]=4 3318 B9R0.5 C=CCCNC(=O)NCC 512a_100015191253_100015525214 [0,2,0,0,0,0|1,0,1]=4 3319 B9R0.5 C=CCCNC(=O)NCC 512a_100015525214_100015191253 [0,2,0,0,0,0|1,0,1]=4 3320 B9R0.5 C=CCCOC(C)CCC 34a_100000764384_100000754431 [0,2,0,0,0,0|1,0,1]=4 3321 B9R0.5 C=CCCOC(C)CCC 34a_100011205117_100000766640 [0,2,0,0,0,0|1,0,1]=4 3322 B9R0.5 C=CCCOC(C)CCC 7a_100000764384_100000754431 [0,2,0,0,0,0|1,0,1]=4 3323 B9R0.5 C=CCNCC(=O)CCC 2230a_100020586998_100000747444 [0,2,0,0,0,0|1,0,1]=4 3324 B9R0.5 C=CCNCC(=O)NCC 2230a_100016988866_100000210623 [0,2,0,0,0,0|1,0,1]=4 3325 B9R0.5 C=CCNCC(=O)NCC 2230a_100020586998_100000183381 [0,2,0,0,0,0|1,0,1]=4 3326 B9R0.5 C=CCNCC(=O)OCC 2230a_100020586998_100000188475 [0,2,0,0,0,0|0,0,1]=3 3327 B9R0.5 C=CCNNC(=O)CCC 22a_100020588587_100000211992 [0,2,0,0,0,0|1,0,1]=4 3328 B9R0.5 C=CCOCC(=O)NCC 34a_200000210373_100000183381 [0,2,0,0,0,0|1,0,1]=4 3329 B9R0.5 C=CCOCC(=O)OCC 34a_200000210373_100000188475 [0,2,0,0,0,0|0,0,1]=3 3330 B9R0.5 C=CCSCC(=O)CCC 1458a_100000230395_100000210303 [0,2,0,0,0,0|0,1,1]=4 3331 B9R0.5 C=CCSCC(=O)CCC 62a_100000210623_100000747444 [0,2,0,0,0,0|0,1,1]=4 3332 B9R0.5 C=CCSCC(=O)CCC 62a_100000747444_100000210623 [0,2,0,0,0,0|0,1,1]=4 3333 B9R0.5 C=CCSCC(=O)NCC 11a_100015525214_100000230395 [0,2,0,0,0,0|1,0,1]=4 3334 B9R0.5 C=CCSCC(=O)NCC 240690a_100015525214_100000230395 [0,2,0,0,0,0|1,0,1]=4 3335 B9R0.5 C=CCSCC(=O)NCC 527a_100015525214_100000230395 [0,2,0,0,0,0|1,0,1]=4 3336 B9R0.5 C=CCSCC(=O)NCC 62a_100000183381_100000210623 [0,2,0,0,0,0|1,0,1]=4 3337 B9R0.5 C=CCSCC(=O)NCC 62a_100000210623_100000183381 [0,2,0,0,0,0|1,0,1]=4 3338 B9R0.5 C=CCSCC(=O)OCC 62a_100000188475_100000210623 [0,2,0,0,0,0|0,0,1]=3 3339 B9R0.5 C=CCSCC(=O)OCC 62a_100000210623_100000188475 [0,2,0,0,0,0|0,0,1]=3 3340 B9R0.5 C=COC(=O)CNCCF 34a_100000724931_100000036128 [0,2,0,0,0,0|0,0,2]=4 3341 B9R0.5 C=COC(=O)CNCCO 2230a_100016997473_100000036128 [0,2,0,0,0,0|0,0,2]=4 3342 B9R0.5 C=COC(=O)CNCCO 34a_100016990907_100000036128 [0,2,0,0,0,0|0,0,2]=4 3343 B9R0.5 C=COC(=O)COCCBr 34a_100000211926_100000036128 [0,2,0,0,0,0|0,0,2]=4 3344 B9R0.5 C=COC(=O)COCCC 34a_100000210258_100000036128 [0,2,0,0,0,0|0,0,2]=4 3345 B9R0.5 C=COC(=O)COCCN 34a_100000210304_100000036128 [0,2,0,0,0,0|0,0,2]=4 3346 B9R0.5 C=COC(=O)CSCCC 62a_100000036128_100000210303 [0,2,0,0,0,0|0,0,2]=4 3347 B9R0.5 C=COC(=O)CSCCC 62a_100000210303_100000036128 [0,2,0,0,0,0|0,0,2]=4 3348 B9R0.5 C=COC(=O)CSCCF 62a_100000036128_100011217306 [0,2,0,0,0,0|0,0,2]=4 3349 B9R0.5 C=COC(=O)CSCCF 62a_100011217306_100000036128 [0,2,0,0,0,0|0,0,2]=4 3350 B9R0.5 C=COC(=O)CSCCO 62a_100000036128_100000211926 [0,2,0,0,0,0|0,0,2]=4 3351 B9R0.5 C=COC(=O)CSCCO 62a_100000211926_100000036128 [0,2,0,0,0,0|0,0,2]=4 3352 B9R0.5 C=COC(=O)CSCOC 62a_100000036128_100000766300 [0,2,0,0,0,0|0,0,2]=4 3353 B9R0.5 C=COC(=O)CSCOC 62a_100000766300_100000036128 [0,2,0,0,0,0|0,0,2]=4 3354 B9R0.5 C=COC(=O)CSCSC 62a_100000036128_100011218213 [0,2,0,0,0,0|0,0,2]=4 3355 B9R0.5 C=COC(=O)CSCSC 62a_100011218213_100000036128 [0,2,0,0,0,0|0,0,2]=4 3356 B9R0.5 C=COCCC(=O)CCC 1458a_100000211992_100000039644 [0,2,0,0,0,0|0,0,2]=4 3357 B9R0.5 CC#CC(=O)C/C=C\CC 1458a_100000763181_100103147603 [0,2,0,0,0,0|1,0,1]=4 3358 B9R0.5 CC#CC(=O)CC#CCC 1458a_100000763181_100009813939 [0,2,0,0,0,0|1,0,1]=4 3359 B9R0.5 CC#CC(=O)CCCC#N 1458a_100000763181_100000211468 [0,2,0,0,0,0|1,0,1]=4 3360 B9R0.5 CC#CC(=O)CCCCC 1458a_100000763181_100000210326 [0,2,0,0,0,0|1,0,1]=4 3361 B9R0.5 CC#CC(=O)CCCCF 1458a_100000763181_100000729493 [0,2,0,0,0,0|1,0,1]=4 3362 B9R0.5 CC#CC(=O)CCCCO 1458a_100000763181_100000210776 [0,2,0,0,0,0|1,0,1]=4 3363 B9R0.5 CC#CC(=O)CCCOC 1458a_100000763181_100000740836 [0,2,0,0,0,0|1,0,1]=4 3364 B9R0.5 CC#CC(=O)CCOCC 1458a_100000763181_100011215890 [0,2,0,0,0,0|0,0,2]=4 3365 B9R0.5 CC#CC(=O)CCSCC 1458a_100000763181_100000757381 [0,2,0,0,0,0|1,0,1]=4 3366 B9R0.5 CC#CC(=O)NNCCC 22a_100000740057_100000763181 [0,2,0,0,0,0|1,0,1]=4 3367 B9R0.5 CC#CCNC(=O)CCC 11a_100000685387_100000211992 [0,2,0,0,0,0|1,0,0]=3 3368 B9R0.5 CC#CCNC(=O)CCC 1626a_100000685387_100000211992 [0,2,0,0,0,0|1,0,0]=3 3369 B9R0.5 CC#CCNC(=O)CCC 527a_100000685387_100000211992 [0,2,0,0,0,0|1,0,0]=3 3370 B9R0.5 CC#CCNC(=O)COC 11a_100000685387_100000210968 [0,2,0,0,0,0|2,0,0]=4 3371 B9R0.5 CC#CCNC(=O)COC 1626a_100000685387_100000210968 [0,2,0,0,0,0|2,0,0]=4 3372 B9R0.5 CC#CCNC(=O)COC 527a_100000685387_100000210968 [0,2,0,0,0,0|2,0,0]=4 3373 B9R0.5 CC#CCNC(=O)CSC 11a_100000685387_100000184570 [0,2,0,0,0,0|2,0,0]=4 3374 B9R0.5 CC#CCNC(=O)CSC 1626a_100000685387_100000184570 [0,2,0,0,0,0|2,0,0]=4 3375 B9R0.5 CC#CCNC(=O)CSC 527a_100000685387_100000184570 [0,2,0,0,0,0|2,0,0]=4 3376 B9R0.5 CC#CCNC(=O)NCC 2708a_100015525214_100000685387 [0,2,0,0,0,0|1,0,1]=4 3377 B9R0.5 CC#CCNC(=O)NCC 273464a_100000685387_100015525214 [0,2,0,0,0,0|1,0,1]=4 3378 B9R0.5 CC#CCNC(=O)NCC 273464a_100015525214_100000685387 [0,2,0,0,0,0|1,0,1]=4 3379 B9R0.5 CC#CCNC(=O)NCC 512a_100000685387_100015525214 [0,2,0,0,0,0|1,0,1]=4 3380 B9R0.5 CC#CCNC(=O)NCC 512a_100015525214_100000685387 [0,2,0,0,0,0|1,0,1]=4 3381 B9R0.5 CC#CCOC(C)CCC 34a_100000761923_100000766640 [0,2,0,0,0,0|1,0,1]=4 3382 B9R0.5 CC#CCOC(C)CCC 34a_100000764384_100000748600 [0,2,0,0,0,0|1,0,1]=4 3383 B9R0.5 CC#CCOC(C)CCC 7a_100000764384_100000748600 [0,2,0,0,0,0|1,0,1]=4 3384 B9R0.5 CC/C=C/CC(=O)CCC 1458a_100016274230_100000210303 [0,2,0,0,0,0|1,0,0]=3 3385 B9R0.5 CC/C=C/CC(=O)CCF 1458a_100016274230_100011217306 [0,2,0,0,0,0|2,0,0]=4 3386 B9R0.5 CC/C=C/CC(=O)CCO 1458a_100016274230_100000211926 [0,2,0,0,0,0|2,0,0]=4 3387 B9R0.5 CC/C=C/CC(=O)NCC 11a_100015525214_100016274230 [0,2,0,0,0,0|1,0,0]=3 3388 B9R0.5 CC/C=C/CC(=O)NCC 240690a_100015525214_100016274230 [0,2,0,0,0,0|1,0,0]=3 3389 B9R0.5 CC/C=C/CC(=O)NCC 527a_100015525214_100016274230 [0,2,0,0,0,0|1,0,0]=3 3390 B9R0.5 CC/C=C/CC(=O)NNC 22a_100016993582_100016274230 [0,2,0,0,0,0|2,0,0]=4 3391 B9R0.5 CC/C=C\CC(=O)CCC 1458a_100000211992_100103147603 [0,2,0,0,0,0|1,0,0]=3 3392 B9R0.5 CC/C=C\CC(=O)CCO 1458a_100011216618_100103147603 [0,2,0,0,0,0|2,0,0]=4 3393 B9R0.5 CC/C=C\CC(=O)COC 1458a_100000210968_100103147603 [0,2,0,0,0,0|2,0,0]=4 3394 B9R0.5 CC/C=C\CC(=O)CSC 1458a_100000184570_100103147603 [0,2,0,0,0,0|2,0,0]=4 3395 B9R0.5 CC=CC(=O)C/C=C\CC 1458a_100000210699_100103147603 [0,2,0,0,0,0|1,0,1]=4 3396 B9R0.5 CC=CC(=O)CC#CCC 1458a_100000210699_100009813939 [0,2,0,0,0,0|1,0,1]=4 3397 B9R0.5 CC=CC(=O)CCCC#N 1458a_100000210699_100000211468 [0,2,0,0,0,0|1,0,1]=4 3398 B9R0.5 CC=CC(=O)CCCCC 1458a_100000210699_100000210326 [0,2,0,0,0,0|1,0,1]=4 3399 B9R0.5 CC=CC(=O)CCCCF 1458a_100000210699_100000729493 [0,2,0,0,0,0|1,0,1]=4 3400 B9R0.5 CC=CC(=O)CCCCO 1458a_100000210699_100000210776 [0,2,0,0,0,0|1,0,1]=4 3401 B9R0.5 CC=CC(=O)CCCOC 1458a_100000210699_100000740836 [0,2,0,0,0,0|1,0,1]=4 3402 B9R0.5 CC=CC(=O)CCOCC 1458a_100000210699_100011215890 [0,2,0,0,0,0|0,0,2]=4 3403 B9R0.5 CC=CC(=O)CCSCC 1458a_100000210699_100000757381 [0,2,0,0,0,0|1,0,1]=4 3404 B9R0.5 CC=CC(=O)NCCCC 11a_100000102301_100000210699 [0,2,0,0,0,0|1,0,1]=4 3405 B9R0.5 CC=CC(=O)NCCCC 1626a_100000102301_100000210699 [0,2,0,0,0,0|1,0,1]=4 3406 B9R0.5 CC=CC(=O)NCCCC 240690a_100000102301_100000210699 [0,2,0,0,0,0|1,0,1]=4 3407 B9R0.5 CC=CC(=O)NCCCF 11a_100015189416_100000210699 [0,2,0,0,0,0|1,0,1]=4 3408 B9R0.5 CC=CC(=O)NCCCF 1626a_100015189416_100000210699 [0,2,0,0,0,0|1,0,1]=4 3409 B9R0.5 CC=CC(=O)NCCCF 240690a_100015189416_100000210699 [0,2,0,0,0,0|1,0,1]=4 3410 B9R0.5 CC=CC(=O)NCCCO 240690a_100000182051_100000210699 [0,2,0,0,0,0|1,0,1]=4 3411 B9R0.5 CC=CC(=O)NCCOC 1626a_100000209980_100000210699 [0,2,0,0,0,0|1,0,1]=4 3412 B9R0.5 CC=CC(=O)NCCOC 240690a_100000209980_100000210699 [0,2,0,0,0,0|1,0,1]=4 3413 B9R0.5 CC=CC(=O)NCCSC 11a_100020590264_100000210699 [0,2,0,0,0,0|1,0,1]=4 3414 B9R0.5 CC=CC(=O)NCCSC 1626a_100020590264_100000210699 [0,2,0,0,0,0|1,0,1]=4 3415 B9R0.5 CC=CC(=O)NCCSC 240690a_100020590264_100000210699 [0,2,0,0,0,0|1,0,1]=4 3416 B9R0.5 CC=CC(=O)NNCCC 22a_100000740057_100000210699 [0,2,0,0,0,0|1,0,1]=4 3417 B9R0.5 CC=CCOC(C)CCC 34a_100000764384_100000070051 [0,2,0,0,0,0|1,0,1]=4 3418 B9R0.5 CC=CCOC(C)CCC 7a_100000764384_100000070051 [0,2,0,0,0,0|1,0,1]=4 3419 B9R0.5 CCC#CCC(=O)CCC 1458a_100000211992_100009813939 [0,2,0,0,0,0|1,0,0]=3 3420 B9R0.5 CCC#CCC(=O)CCO 1458a_100011216618_100009813939 [0,2,0,0,0,0|2,0,0]=4 3421 B9R0.5 CCC#CCC(=O)COC 1458a_100000210968_100009813939 [0,2,0,0,0,0|2,0,0]=4 3422 B9R0.5 CCC#CCC(=O)CSC 1458a_100000184570_100009813939 [0,2,0,0,0,0|2,0,0]=4 3423 B9R0.5 CCC#CCC(C)OCC 34a_200000035118_100000210202 [0,2,0,0,0,0|1,0,1]=4 3424 B9R0.5 CCC#CCC(C)OCC 7a_200000035118_100000210202 [0,2,0,0,0,0|1,0,1]=4 3425 B9R0.5 CCC=NNC(=O)CCC 4a_100000189770_100000210100 [0,2,0,0,0,0|1,0,0]=3 3426 B9R0.5 CCC=NNC(=O)COC 4a_100000216845_100000210100 [0,2,0,0,0,0|2,0,0]=4 3427 B9R0.5 CCCC#CC(=O)CCC 1458a_200011218047_100000210303 [0,2,0,0,0,0|1,0,0]=3 3428 B9R0.5 CCCC#CC(=O)CCF 1458a_200011218047_100011217306 [0,2,0,0,0,0|2,0,0]=4 3429 B9R0.5 CCCC#CC(=O)CCO 1458a_200011218047_100000211926 [0,2,0,0,0,0|2,0,0]=4 3430 B9R0.5 CCCC#CC(=O)NCC 240690a_100015525214_200011218047 [0,2,0,0,0,0|1,0,0]=3 3431 B9R0.5 CCCC#CC(=O)NNC 22a_100016993582_200011218047 [0,2,0,0,0,0|2,0,0]=4 3432 B9R0.5 CCCC(=NNCCO)C 4a_100000210001_100000211909 [0,2,0,0,0,0|2,0,0]=4 3433 B9R0.5 CCCC(=O)C=CCOC 1458a_100016285016_100000210303 [0,2,0,0,0,0|1,0,0]=3 3434 B9R0.5 CCCC(=O)C=COCC 1458a_100016266692_100000210303 [0,2,0,0,0,0|0,0,0]=2 3435 B9R0.5 CCCC(=O)CC#CCO 1458a_100000211992_200000047223 [0,2,0,0,0,0|1,0,1]=4 3436 B9R0.5 CCCC(=O)CCCC#N 1458a_100000075515_100000210303 [0,2,0,0,0,0|1,0,0]=3 3437 B9R0.5 CCCC(=O)CCCC#N 1458a_100000211992_100000211468 [0,2,0,0,0,0|1,0,0]=3 3438 B9R0.5 CCCC(=O)CCCCF 1458a_100000211992_100000729493 [0,2,0,0,0,0|1,0,0]=3 3439 B9R0.5 CCCC(=O)CCCCO 1458a_100000211992_100000210776 [0,2,0,0,0,0|1,0,0]=3 3440 B9R0.5 CCCC(=O)CCCCO 1458a_100000695505_100000210303 [0,2,0,0,0,0|1,0,0]=3 3441 B9R0.5 CCCC(=O)CCCOC 1458a_100000211992_100000740836 [0,2,0,0,0,0|1,0,0]=3 3442 B9R0.5 CCCC(=O)CCCOC 1458a_100000741012_100000210303 [0,2,0,0,0,0|1,0,0]=3 3443 B9R0.5 CCCC(=O)CCCSC 1458a_100000173376_100000210303 [0,2,0,0,0,0|1,0,0]=3 3444 B9R0.5 CCCC(=O)CCN=[N+]=[N-] 1458a_100000688302_100000210303 [0,2,0,0,0,0|2,0,0]=4 3445 B9R0.5 CCCC(=O)CCOCC 1458a_100000211992_100011215890 [0,2,0,0,0,0|0,0,0]=2 3446 B9R0.5 CCCC(=O)CCOCC 1458a_100000749530_100000210303 [0,2,0,0,0,0|0,0,0]=2 3447 B9R0.5 CCCC(=O)CCSCC 1458a_100000211992_100000757381 [0,2,0,0,0,0|0,1,0]=3 3448 B9R0.5 CCCC(=O)CCSCC 1458a_100000230768_100000210303 [0,2,0,0,0,0|0,1,0]=3 3449 B9R0.5 CCCC(=O)CNCCO 2230a_100016997473_100000747444 [0,2,0,0,0,0|1,0,0]=3 3450 B9R0.5 CCCC(=O)COCCO 1458a_100000708028_100000210303 [0,2,0,0,0,0|0,0,0]=2 3451 B9R0.5 CCCC(=O)CSCC#N 1458a_100000150266_100000210303 [0,2,0,0,0,0|0,1,1]=4 3452 B9R0.5 CCCC(=O)CSCC#N 62a_100000747444_100011215382 [0,2,0,0,0,0|0,1,1]=4 3453 B9R0.5 CCCC(=O)CSCC#N 62a_100011215382_100000747444 [0,2,0,0,0,0|0,1,1]=4 3454 B9R0.5 CCCC(=O)CSCC=O 62a_100000747444_200015260668 [0,2,0,0,0,0|0,1,1]=4 3455 B9R0.5 CCCC(=O)CSCC=O 62a_200015260668_100000747444 [0,2,0,0,0,0|0,1,1]=4 3456 B9R0.5 CCCC(=O)CSCCF 62a_100000747444_100011217306 [0,2,0,0,0,0|0,1,0]=3 3457 B9R0.5 CCCC(=O)CSCCF 62a_100011217306_100000747444 [0,2,0,0,0,0|0,1,0]=3 3458 B9R0.5 CCCC(=O)CSCCO 62a_100000211926_100000747444 [0,2,0,0,0,0|0,1,0]=3 3459 B9R0.5 CCCC(=O)CSCCO 62a_100000747444_100000211926 [0,2,0,0,0,0|0,1,0]=3 3460 B9R0.5 CCCC(=O)CSCOC 62a_100000747444_100000766300 [0,2,0,0,0,0|0,1,0]=3 3461 B9R0.5 CCCC(=O)CSCOC 62a_100000766300_100000747444 [0,2,0,0,0,0|0,1,0]=3 3462 B9R0.5 CCCC(=O)CSCSC 62a_100000747444_100011218213 [0,2,0,0,0,0|0,1,0]=3 3463 B9R0.5 CCCC(=O)CSCSC 62a_100011218213_100000747444 [0,2,0,0,0,0|0,1,0]=3 3464 B9R0.5 CCCC(=O)NCCC#N 11a_100000720768_100000211992 [0,2,0,0,0,0|1,0,0]=3 3465 B9R0.5 CCCC(=O)NCCC#N 1626a_100000720768_100000211992 [0,2,0,0,0,0|1,0,0]=3 3466 B9R0.5 CCCC(=O)NCCC#N 240690a_100000720768_100000211992 [0,2,0,0,0,0|1,0,0]=3 3467 B9R0.5 CCCC(=O)NCCC#N 527a_100000720768_100000211992 [0,2,0,0,0,0|1,0,0]=3 3468 B9R0.5 CCCC(=O)NCCCF 11a_100015189416_100000211992 [0,2,0,0,0,0|1,0,0]=3 3469 B9R0.5 CCCC(=O)NCCCF 1626a_100015189416_100000211992 [0,2,0,0,0,0|1,0,0]=3 3470 B9R0.5 CCCC(=O)NCCCF 240690a_100015189416_100000211992 [0,2,0,0,0,0|1,0,0]=3 3471 B9R0.5 CCCC(=O)NCCCF 527a_100015189416_100000211992 [0,2,0,0,0,0|1,0,0]=3 3472 B9R0.5 CCCC(=O)NCCCO 240690a_100000182051_100000211992 [0,2,0,0,0,0|1,0,0]=3 3473 B9R0.5 CCCC(=O)NCCCO 527a_100000182051_100000211992 [0,2,0,0,0,0|1,0,0]=3 3474 B9R0.5 CCCC(=O)NCCOC 1626a_100000209980_100000211992 [0,2,0,0,0,0|1,0,0]=3 3475 B9R0.5 CCCC(=O)NCCOC 240690a_100000209980_100000211992 [0,2,0,0,0,0|1,0,0]=3 3476 B9R0.5 CCCC(=O)NCCOC 527a_100000209980_100000211992 [0,2,0,0,0,0|1,0,0]=3 3477 B9R0.5 CCCC(=O)NCCSC 11a_100020590264_100000211992 [0,2,0,0,0,0|1,0,0]=3 3478 B9R0.5 CCCC(=O)NCCSC 1626a_100020590264_100000211992 [0,2,0,0,0,0|1,0,0]=3 3479 B9R0.5 CCCC(=O)NCCSC 240690a_100020590264_100000211992 [0,2,0,0,0,0|1,0,0]=3 3480 B9R0.5 CCCC(=O)NCCSC 527a_100020590264_100000211992 [0,2,0,0,0,0|1,0,0]=3 3481 B9R0.5 CCCC(=O)NNCCO 22a_100000210001_100000211992 [0,2,0,0,0,0|1,0,0]=3 3482 B9R0.5 CCCC(=O)OCNCC 2230a_100015525214_100000034017 [0,2,0,0,0,0|0,0,0]=2 3483 B9R0.5 CCCC(=O)OCOCC 34a_100121572206_100000034017 [0,2,0,0,0,0|0,0,0]=2 3484 B9R0.5 CCCC(=O)OCSCC 62a_100000210202_100000034017 [0,2,0,0,0,0|0,0,0]=2 3485 B9R0.5 CCCC(=O)OCSCF 62a_100015361967_100000034017 [0,2,0,0,0,0|0,0,0]=2 3486 B9R0.5 CCCC(C)CCOCC 34a_100011217855_100000210202 [0,2,0,0,0,0|1,0,1]=4 3487 B9R0.5 CCCC(C)CCOCC 7a_100011217855_100000210202 [0,2,0,0,0,0|1,0,1]=4 3488 B9R0.5 CCCC(C)COCCBr 34a_100000211926_100011216630 [0,2,0,0,0,0|1,0,1]=4 3489 B9R0.5 CCCC(C)COCCF 34a_100000688023_100011217306 [0,2,0,0,0,0|1,0,1]=4 3490 B9R0.5 CCCC(C)COCCF 7a_100000688023_100011217306 [0,2,0,0,0,0|1,0,1]=4 3491 B9R0.5 CCCC(C)COCCN 34a_100000210304_100011216630 [0,2,0,0,0,0|1,0,1]=4 3492 B9R0.5 CCCC(C)COCCO 34a_100000688023_100000211926 [0,2,0,0,0,0|1,0,1]=4 3493 B9R0.5 CCCC(C)COCCO 7a_100000688023_100000211926 [0,2,0,0,0,0|1,0,1]=4 3494 B9R0.5 CCCC(C)COCSC 34a_100000688023_100011218213 [0,2,0,0,0,0|1,0,1]=4 3495 B9R0.5 CCCC(C)OCCC#N 7a_100000764384_100000184422 [0,2,0,0,0,0|1,0,1]=4 3496 B9R0.5 CCCC(C)OCCCBr 34a_100011217188_100000766640 [0,2,0,0,0,0|1,0,1]=4 3497 B9R0.5 CCCC(C)OCCCCl 34a_100000230001_100000766640 [0,2,0,0,0,0|1,0,1]=4 3498 B9R0.5 CCCC(C)OCCCF 34a_100000759539_100000766640 [0,2,0,0,0,0|1,0,1]=4 3499 B9R0.5 CCCC(C)OCCCF 34a_100000764384_100011934791 [0,2,0,0,0,0|1,0,1]=4 3500 B9R0.5 CCCC(C)OCCCF 7a_100000764384_100011934791 [0,2,0,0,0,0|1,0,1]=4 3501 B9R0.5 CCCC(C)OCCCN 34a_100000182051_100000766640 [0,2,0,0,0,0|1,0,1]=4 3502 B9R0.5 CCCC(C)OCCCO 34a_100000764384_100000230001 [0,2,0,0,0,0|1,0,1]=4 3503 B9R0.5 CCCC(C)OCCCO 7a_100000764384_100011215043 [0,2,0,0,0,0|1,0,1]=4 3504 B9R0.5 CCCC(C)OCCOC 34a_100000210237_100000766640 [0,2,0,0,0,0|1,0,1]=4 3505 B9R0.5 CCCC(C)OCCOC 34a_100000764384_100011201679 [0,2,0,0,0,0|1,0,1]=4 3506 B9R0.5 CCCC(C)OCCOC 7a_100000764384_100000233755 [0,2,0,0,0,0|1,0,1]=4 3507 B9R0.5 CCCC(C)OCCON 34a_100000700252_100000766640 [0,2,0,0,0,0|1,0,1]=4 3508 B9R0.5 CCCC(C)OCCSC 34a_100000230434_100000766640 [0,2,0,0,0,0|1,0,1]=4 3509 B9R0.5 CCCC(C)OCCSC 34a_100000764384_100000212216 [0,2,0,0,0,0|1,0,1]=4 3510 B9R0.5 CCCC(C)OCCSC 7a_100000230434_100000766640 [0,2,0,0,0,0|1,0,1]=4 3511 B9R0.5 CCCC(C)OCCSC 7a_100000764384_100000212216 [0,2,0,0,0,0|1,0,1]=4 3512 B9R0.5 CCCC(C)SCOCC 62a_100000739092_100000766640 [0,2,0,0,0,0|1,0,1]=4 3513 B9R0.5 CCCC(C)SCOCC 62a_100000766640_100000739092 [0,2,0,0,0,0|1,0,1]=4 3514 B9R0.5 CCCC=CC(=O)CCC 1458a_100000212230_100000210303 [0,2,0,0,0,0|1,0,0]=3 3515 B9R0.5 CCCC=CC(=O)CCF 1458a_100000212230_100011217306 [0,2,0,0,0,0|2,0,0]=4 3516 B9R0.5 CCCC=CC(=O)CCO 1458a_100000212230_100000211926 [0,2,0,0,0,0|2,0,0]=4 3517 B9R0.5 CCCC=CC(=O)NCC 11a_100015525214_100000212230 [0,2,0,0,0,0|1,0,0]=3 3518 B9R0.5 CCCC=CC(=O)NCC 240690a_100015525214_100000212230 [0,2,0,0,0,0|1,0,0]=3 3519 B9R0.5 CCCC=CC(=O)NNC 22a_100016993582_100000212230 [0,2,0,0,0,0|2,0,0]=4 3520 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [0,2,0,0,0,0|1,0,0]=3 3521 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [0,2,0,0,0,0|1,0,0]=3 3522 B9R0.5 CCCCCC(=O)CCF 1458a_100000212188_100011217306 [0,2,0,0,0,0|2,0,0]=4 3523 B9R0.5 CCCCCC(=O)CCO 1458a_100000212188_100000211926 [0,2,0,0,0,0|2,0,0]=4 3524 B9R0.5 CCCCCC(=O)CCO 1458a_100011216618_100000210326 [0,2,0,0,0,0|2,0,0]=4 3525 B9R0.5 CCCCCC(=O)CNC 2230a_106832991635_200012276598 [0,2,0,0,0,0|2,0,0]=4 3526 B9R0.5 CCCCCC(=O)CNC 34a_100102657272_200012276598 [0,2,0,0,0,0|2,0,0]=4 3527 B9R0.5 CCCCCC(=O)CNC 7a_106832991635_200012276598 [0,2,0,0,0,0|2,0,0]=4 3528 B9R0.5 CCCCCC(=O)COC 1458a_100000210968_100000210326 [0,2,0,0,0,0|2,0,0]=4 3529 B9R0.5 CCCCCC(=O)COC 34a_100138415774_200012276598 [0,2,0,0,0,0|2,0,0]=4 3530 B9R0.5 CCCCCC(=O)CSC 1458a_100000184570_100000210326 [0,2,0,0,0,0|2,0,0]=4 3531 B9R0.5 CCCCCC(=O)CSC 62a_200000210301_200012276598 [0,2,0,0,0,0|2,0,0]=4 3532 B9R0.5 CCCCCC(=O)CSC 62a_200012276598_200000210301 [0,2,0,0,0,0|2,0,0]=4 3533 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200012276598_200025704644 [0,2,0,0,0,0|2,0,0]=4 3534 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200025704644_200012276598 [0,2,0,0,0,0|2,0,0]=4 3535 B9R0.5 CCCCCC(=O)NCC 11a_100015525214_100000212188 [0,2,0,0,0,0|1,0,0]=3 3536 B9R0.5 CCCCCC(=O)NCC 240690a_100015525214_100000212188 [0,2,0,0,0,0|1,0,0]=3 3537 B9R0.5 CCCCCC(=O)NCC 527a_100015525214_100000212188 [0,2,0,0,0,0|1,0,0]=3 3538 B9R0.5 CCCCCC(=O)NNC 22a_100016993582_100000212188 [0,2,0,0,0,0|2,0,0]=4 3539 B9R0.5 CCCCCC(C)OCC 34a_100011215632_100000210202 [0,2,0,0,0,0|1,0,1]=4 3540 B9R0.5 CCCCCC(C)OCC 34a_100121572206_200011218191 [0,2,0,0,0,0|1,0,1]=4 3541 B9R0.5 CCCCCC(C)OCC 7a_100011215632_100000210202 [0,2,0,0,0,0|1,0,1]=4 3542 B9R0.5 CCCCNC(=O)CCC 11a_100000102301_100000211992 [0,2,0,0,0,0|1,0,0]=3 3543 B9R0.5 CCCCNC(=O)CCC 1626a_100000102301_100000211992 [0,2,0,0,0,0|1,0,0]=3 3544 B9R0.5 CCCCNC(=O)CCC 240690a_100000102301_100000211992 [0,2,0,0,0,0|1,0,0]=3 3545 B9R0.5 CCCCNC(=O)CCC 527a_100000102301_100000211992 [0,2,0,0,0,0|1,0,0]=3 3546 B9R0.5 CCCCNC(=O)CCO 240690a_100000102301_100011216618 [0,2,0,0,0,0|2,0,0]=4 3547 B9R0.5 CCCCNC(=O)CNC 2230a_106832991635_100000182744 [0,2,0,0,0,0|2,0,0]=4 3548 B9R0.5 CCCCNC(=O)CNC 34a_100102657272_100000182744 [0,2,0,0,0,0|2,0,0]=4 3549 B9R0.5 CCCCNC(=O)CNC 7a_106832991635_100000182744 [0,2,0,0,0,0|2,0,0]=4 3550 B9R0.5 CCCCNC(=O)COC 11a_100000102301_100000210968 [0,2,0,0,0,0|2,0,0]=4 3551 B9R0.5 CCCCNC(=O)COC 1626a_100000102301_100000210968 [0,2,0,0,0,0|2,0,0]=4 3552 B9R0.5 CCCCNC(=O)COC 240690a_100000102301_100000210968 [0,2,0,0,0,0|2,0,0]=4 3553 B9R0.5 CCCCNC(=O)COC 34a_100138415774_100000182744 [0,2,0,0,0,0|2,0,0]=4 3554 B9R0.5 CCCCNC(=O)COC 527a_100000102301_100000210968 [0,2,0,0,0,0|2,0,0]=4 3555 B9R0.5 CCCCNC(=O)CSC 11a_100000102301_100000184570 [0,2,0,0,0,0|2,0,0]=4 3556 B9R0.5 CCCCNC(=O)CSC 1626a_100000102301_100000184570 [0,2,0,0,0,0|2,0,0]=4 3557 B9R0.5 CCCCNC(=O)CSC 240690a_100000102301_100000184570 [0,2,0,0,0,0|2,0,0]=4 3558 B9R0.5 CCCCNC(=O)CSC 527a_100000102301_100000184570 [0,2,0,0,0,0|2,0,0]=4 3559 B9R0.5 CCCCNC(=O)CSC 62a_100000182744_200000210301 [0,2,0,0,0,0|2,0,0]=4 3560 B9R0.5 CCCCNC(=O)CSC 62a_200000210301_100000182744 [0,2,0,0,0,0|2,0,0]=4 3561 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_100000182744_200025704644 [0,2,0,0,0,0|2,0,0]=4 3562 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_200025704644_100000182744 [0,2,0,0,0,0|2,0,0]=4 3563 B9R0.5 CCCCNC(=O)NCC 2708a_100000102301_100015525214 [0,2,0,0,0,0|1,0,0]=3 3564 B9R0.5 CCCCNC(=O)NCC 2708a_100015525214_100000102301 [0,2,0,0,0,0|1,0,0]=3 3565 B9R0.5 CCCCNC(=O)NCC 273464a_100000102301_100015525214 [0,2,0,0,0,0|1,0,0]=3 3566 B9R0.5 CCCCNC(=O)NCC 273464a_100015525214_100000102301 [0,2,0,0,0,0|1,0,0]=3 3567 B9R0.5 CCCCNC(=O)NCC 512a_100000102301_100015525214 [0,2,0,0,0,0|1,0,0]=3 3568 B9R0.5 CCCCNC(=O)NCC 512a_100015525214_100000102301 [0,2,0,0,0,0|1,0,0]=3 3569 B9R0.5 CCCCNC(=O)NNC 273464a_100000102301_100016993582 [0,2,0,0,0,0|2,0,0]=4 3570 B9R0.5 CCCCNC(=O)NNC 512a_100000102301_100016993582 [0,2,0,0,0,0|2,0,0]=4 3571 B9R0.5 CCCCNC(=O)NNC 512a_100016993582_100000102301 [0,2,0,0,0,0|2,0,0]=4 3572 B9R0.5 CCCCOC(=O)CNC 2230a_106832991635_100000211628 [0,2,0,0,0,0|1,0,0]=3 3573 B9R0.5 CCCCOC(=O)CNC 34a_100102657272_100000211628 [0,2,0,0,0,0|1,0,0]=3 3574 B9R0.5 CCCCOC(=O)CNC 7a_106832991635_100000211628 [0,2,0,0,0,0|1,0,0]=3 3575 B9R0.5 CCCCOC(=O)COC 34a_100138415774_100000211628 [0,2,0,0,0,0|1,0,0]=3 3576 B9R0.5 CCCCOC(=O)CSC 62a_100000211628_200000210301 [0,2,0,0,0,0|1,0,0]=3 3577 B9R0.5 CCCCOC(=O)CSC 62a_200000210301_100000211628 [0,2,0,0,0,0|1,0,0]=3 3578 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_100000211628_200025704644 [0,2,0,0,0,0|1,0,0]=3 3579 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_200025704644_100000211628 [0,2,0,0,0,0|1,0,0]=3 3580 B9R0.5 CCCCOC(C)CCC 34a_100000210227_100000766640 [0,2,0,0,0,0|1,0,1]=4 3581 B9R0.5 CCCCOC(C)CCC 34a_100000764384_100000210210 [0,2,0,0,0,0|1,0,1]=4 3582 B9R0.5 CCCCOC(C)CCC 7a_100000210227_100000766640 [0,2,0,0,0,0|1,0,1]=4 3583 B9R0.5 CCCCOC(C)CCC 7a_100000764384_100000210211 [0,2,0,0,0,0|1,0,1]=4 3584 B9R0.5 CCCN(C)CCOCC 2230a_100000747261_100011215890 [0,2,0,0,0,0|2,0,0]=4 3585 B9R0.5 CCCN(C)CCOCC 269982a_100000747261_100011215890 [0,2,0,0,0,0|2,0,0]=4 3586 B9R0.5 CCCNCC(=O)NCC 2230a_100016988866_100000210303 [0,2,0,0,0,0|1,0,0]=3 3587 B9R0.5 CCCNN=C(C)CCC 4a_100000740057_100000211909 [0,2,0,0,0,0|2,0,0]=4 3588 B9R0.5 CCCNNC(=O)CCC 22a_100000740057_100000211992 [0,2,0,0,0,0|1,0,0]=3 3589 B9R0.5 CCCNNC(=O)CCO 22a_100000740057_100011216618 [0,2,0,0,0,0|2,0,0]=4 3590 B9R0.5 CCCNNC(=O)COC 22a_100000740057_100000210968 [0,2,0,0,0,0|2,0,0]=4 3591 B9R0.5 CCCNNC(=O)CSC 22a_100000740057_100000184570 [0,2,0,0,0,0|2,0,0]=4 3592 B9R0.5 CCCNNC(=O)NCC 273464a_100015525214_100000740057 [0,2,0,0,0,0|1,0,0]=3 3593 B9R0.5 CCCNNC(=O)NCC 512a_100000740057_100015525214 [0,2,0,0,0,0|1,0,0]=3 3594 B9R0.5 CCCNNC(=O)NCC 512a_100015525214_100000740057 [0,2,0,0,0,0|1,0,0]=3 3595 B9R0.5 CCCNNC(=O)NNC 512a_100000740057_100016993582 [0,2,0,0,0,0|2,0,0]=4 3596 B9R0.5 CCCNNC(=O)NNC 512a_100016993582_100000740057 [0,2,0,0,0,0|2,0,0]=4 3597 B9R0.5 CCCOCC(=O)CC#N 1458a_100000745993_100011214920 [0,2,0,0,0,0|1,0,1]=4 3598 B9R0.5 CCCOCC(=O)CCC 1458a_100000745993_100000210303 [0,2,0,0,0,0|0,0,0]=2 3599 B9R0.5 CCCOCC(=O)CCF 1458a_100000745993_100011217306 [0,2,0,0,0,0|1,0,0]=3 3600 B9R0.5 CCCOCC(=O)CCO 1458a_100000745993_100000211926 [0,2,0,0,0,0|1,0,0]=3 3601 B9R0.5 CCCOCC(=O)NCC 11a_100015525214_100000745993 [0,2,0,0,0,0|1,0,0]=3 3602 B9R0.5 CCCOCC(=O)NCC 240690a_100015525214_100000745993 [0,2,0,0,0,0|1,0,0]=3 3603 B9R0.5 CCCOCC(=O)NCC 34a_100000210258_100000183381 [0,2,0,0,0,0|1,0,0]=3 3604 B9R0.5 CCCOCC(=O)NCC 527a_100015525214_100000745993 [0,2,0,0,0,0|1,0,0]=3 3605 B9R0.5 CCCOCC(=O)NCO 34a_100000210258_100000185155 [0,2,0,0,0,0|2,0,0]=4 3606 B9R0.5 CCCOCC(=O)NNC 22a_100016993582_100000745993 [0,2,0,0,0,0|2,0,0]=4 3607 B9R0.5 CCCOCC(=O)OCC 34a_100000210258_100000188475 [0,2,0,0,0,0|0,0,0]=2 3608 B9R0.5 CCCOCC(C)CCC 34a_100000210258_100011216630 [0,2,0,0,0,0|1,0,1]=4 3609 B9R0.5 CCCOCC(C)CCC 34a_100000688023_100000210303 [0,2,0,0,0,0|1,0,1]=4 3610 B9R0.5 CCCOCC(C)CCC 7a_100000688023_100000210303 [0,2,0,0,0,0|1,0,1]=4 3611 B9R0.5 CCCOC[C@@H](N)CCC 34a_100000732646_100000210303 [0,2,0,0,0,0|1,0,1]=4 3612 B9R0.5 CCCSCC(=O)CCC 1458a_100000217233_100000210303 [0,2,0,0,0,0|0,1,0]=3 3613 B9R0.5 CCCSCC(=O)CCC 62a_100000210303_100000747444 [0,2,0,0,0,0|0,1,0]=3 3614 B9R0.5 CCCSCC(=O)CCC 62a_100000747444_100000210303 [0,2,0,0,0,0|0,1,0]=3 3615 B9R0.5 CCCSCC(=O)CCF 1458a_100000217233_100011217306 [0,2,0,0,0,0|1,1,0]=4 3616 B9R0.5 CCCSCC(=O)CCO 1458a_100000217233_100000211926 [0,2,0,0,0,0|1,1,0]=4 3617 B9R0.5 CCCSCC(=O)NCC 11a_100015525214_100000217233 [0,2,0,0,0,0|1,0,0]=3 3618 B9R0.5 CCCSCC(=O)NCC 240690a_100015525214_100000217233 [0,2,0,0,0,0|1,0,0]=3 3619 B9R0.5 CCCSCC(=O)NCC 527a_100015525214_100000217233 [0,2,0,0,0,0|1,0,0]=3 3620 B9R0.5 CCCSCC(=O)NCC 62a_100000183381_100000210303 [0,2,0,0,0,0|1,0,0]=3 3621 B9R0.5 CCCSCC(=O)NCC 62a_100000210303_100000183381 [0,2,0,0,0,0|1,0,0]=3 3622 B9R0.5 CCCSCC(=O)NCO 62a_100000185155_100000210303 [0,2,0,0,0,0|2,0,0]=4 3623 B9R0.5 CCCSCC(=O)NCO 62a_100000210303_100000185155 [0,2,0,0,0,0|2,0,0]=4 3624 B9R0.5 CCCSCC(=O)NNC 22a_100016993582_100000217233 [0,2,0,0,0,0|2,0,0]=4 3625 B9R0.5 CCCSCC(=O)OCC 62a_100000188475_100000210303 [0,2,0,0,0,0|0,0,0]=2 3626 B9R0.5 CCCSCC(=O)OCC 62a_100000210303_100000188475 [0,2,0,0,0,0|0,0,0]=2 3627 B9R0.5 CCC[C@H](N)CCOCC 34a_100015193777_100000210202 [0,2,0,0,0,0|1,0,1]=4 3628 B9R0.5 CCC[C@H](N)COCCF 34a_100000732646_100011217306 [0,2,0,0,0,0|1,0,1]=4 3629 B9R0.5 CCC[C@H](N)COCCO 34a_100000732646_100000211926 [0,2,0,0,0,0|1,0,1]=4 3630 B9R0.5 CCC[C@H](N)COCSC 34a_100000732646_100011218213 [0,2,0,0,0,0|1,0,1]=4 3631 B9R0.5 CCNC(=O)C=CCOC 11a_100015525214_100016285016 [0,2,0,0,0,0|1,0,1]=4 3632 B9R0.5 CCNC(=O)C=CCOC 240690a_100015525214_100016285016 [0,2,0,0,0,0|1,0,1]=4 3633 B9R0.5 CCNC(=O)C=COCC 11a_100015525214_100016266692 [0,2,0,0,0,0|1,0,0]=3 3634 B9R0.5 CCNC(=O)C=COCC 240690a_100015525214_100016266692 [0,2,0,0,0,0|1,0,0]=3 3635 B9R0.5 CCNC(=O)CCCC#N 11a_100015525214_100000075515 [0,2,0,0,0,0|1,0,0]=3 3636 B9R0.5 CCNC(=O)CCCC#N 240690a_100015525214_100000075515 [0,2,0,0,0,0|1,0,0]=3 3637 B9R0.5 CCNC(=O)CCCC#N 527a_100015525214_100000075515 [0,2,0,0,0,0|1,0,0]=3 3638 B9R0.5 CCNC(=O)CCCOC 11a_100015525214_100000741012 [0,2,0,0,0,0|1,0,0]=3 3639 B9R0.5 CCNC(=O)CCCOC 240690a_100015525214_100000741012 [0,2,0,0,0,0|1,0,0]=3 3640 B9R0.5 CCNC(=O)CCCOC 527a_100015525214_100000741012 [0,2,0,0,0,0|1,0,0]=3 3641 B9R0.5 CCNC(=O)CCCSC 11a_100015525214_100000173376 [0,2,0,0,0,0|1,0,0]=3 3642 B9R0.5 CCNC(=O)CCCSC 240690a_100015525214_100000173376 [0,2,0,0,0,0|1,0,0]=3 3643 B9R0.5 CCNC(=O)CCCSC 527a_100015525214_100000173376 [0,2,0,0,0,0|1,0,0]=3 3644 B9R0.5 CCNC(=O)CCN=[N+]=[N-] 11a_100015525214_100000688302 [0,2,0,0,0,0|2,0,0]=4 3645 B9R0.5 CCNC(=O)CCN=[N+]=[N-] 240690a_100015525214_100000688302 [0,2,0,0,0,0|2,0,0]=4 3646 B9R0.5 CCNC(=O)CCNCF 34a_100025743525_100015361967 [0,2,0,0,0,0|1,0,0]=3 3647 B9R0.5 CCNC(=O)CCOCC 11a_100015525214_100000749530 [0,2,0,0,0,0|1,0,0]=3 3648 B9R0.5 CCNC(=O)CCOCC 240690a_100015525214_100000749530 [0,2,0,0,0,0|1,0,0]=3 3649 B9R0.5 CCNC(=O)CCOCC 527a_100015525214_100000749530 [0,2,0,0,0,0|1,0,0]=3 3650 B9R0.5 CCNC(=O)CCSCC 11a_100015525214_100000230768 [0,2,0,0,0,0|1,0,0]=3 3651 B9R0.5 CCNC(=O)CCSCC 240690a_100015525214_100000230768 [0,2,0,0,0,0|1,0,0]=3 3652 B9R0.5 CCNC(=O)CCSCC 527a_100015525214_100000230768 [0,2,0,0,0,0|1,0,0]=3 3653 B9R0.5 CCNC(=O)CCSCC 62a_100000210202_100000737597 [0,2,0,0,0,0|1,0,0]=3 3654 B9R0.5 CCNC(=O)CCSCC 62a_100000737597_100000210202 [0,2,0,0,0,0|1,0,0]=3 3655 B9R0.5 CCNC(=O)CCSCF 62a_100000737597_100015361967 [0,2,0,0,0,0|1,0,0]=3 3656 B9R0.5 CCNC(=O)CCSCF 62a_100015361967_100000737597 [0,2,0,0,0,0|1,0,0]=3 3657 B9R0.5 CCNC(=O)CNCC#N 2230a_100016988866_100011215382 [0,2,0,0,0,0|1,0,1]=4 3658 B9R0.5 CCNC(=O)CNCC=O 2230a_100016988866_200015260668 [0,2,0,0,0,0|1,0,1]=4 3659 B9R0.5 CCNC(=O)CNCCF 2230a_100016988866_100011217306 [0,2,0,0,0,0|1,0,0]=3 3660 B9R0.5 CCNC(=O)CNCCF 34a_100000724931_100000183381 [0,2,0,0,0,0|1,0,0]=3 3661 B9R0.5 CCNC(=O)CNCCO 2230a_100016988866_100000211926 [0,2,0,0,0,0|1,0,0]=3 3662 B9R0.5 CCNC(=O)CNCCO 2230a_100016997473_100000183381 [0,2,0,0,0,0|1,0,0]=3 3663 B9R0.5 CCNC(=O)CNCCO 34a_100016990907_100000183381 [0,2,0,0,0,0|1,0,0]=3 3664 B9R0.5 CCNC(=O)CNCOC 2230a_100016988866_100000766300 [0,2,0,0,0,0|1,0,0]=3 3665 B9R0.5 CCNC(=O)CNCSC 2230a_100016988866_100011218213 [0,2,0,0,0,0|1,0,0]=3 3666 B9R0.5 CCNC(=O)COCCBr 34a_100000211926_100000183381 [0,2,0,0,0,0|1,0,0]=3 3667 B9R0.5 CCNC(=O)COCCN 34a_100000210304_100000183381 [0,2,0,0,0,0|1,0,0]=3 3668 B9R0.5 CCNC(=O)COCCO 240690a_100015525214_100000708028 [0,2,0,0,0,0|1,0,0]=3 3669 B9R0.5 CCNC(=O)CSCC#N 11a_100015525214_100000150266 [0,2,0,0,0,0|1,0,1]=4 3670 B9R0.5 CCNC(=O)CSCC#N 240690a_100015525214_100000150266 [0,2,0,0,0,0|1,0,1]=4 3671 B9R0.5 CCNC(=O)CSCC#N 62a_100000183381_100011215382 [0,2,0,0,0,0|1,0,1]=4 3672 B9R0.5 CCNC(=O)CSCC#N 62a_100011215382_100000183381 [0,2,0,0,0,0|1,0,1]=4 3673 B9R0.5 CCNC(=O)CSCC=O 62a_100000183381_200015260668 [0,2,0,0,0,0|1,0,1]=4 3674 B9R0.5 CCNC(=O)CSCC=O 62a_200015260668_100000183381 [0,2,0,0,0,0|1,0,1]=4 3675 B9R0.5 CCNC(=O)CSCCF 62a_100000183381_100011217306 [0,2,0,0,0,0|1,0,0]=3 3676 B9R0.5 CCNC(=O)CSCCF 62a_100011217306_100000183381 [0,2,0,0,0,0|1,0,0]=3 3677 B9R0.5 CCNC(=O)CSCCO 62a_100000183381_100000211926 [0,2,0,0,0,0|1,0,0]=3 3678 B9R0.5 CCNC(=O)CSCCO 62a_100000211926_100000183381 [0,2,0,0,0,0|1,0,0]=3 3679 B9R0.5 CCNC(=O)CSCOC 62a_100000183381_100000766300 [0,2,0,0,0,0|1,0,0]=3 3680 B9R0.5 CCNC(=O)CSCOC 62a_100000766300_100000183381 [0,2,0,0,0,0|1,0,0]=3 3681 B9R0.5 CCNC(=O)CSCSC 62a_100000183381_100011218213 [0,2,0,0,0,0|1,0,0]=3 3682 B9R0.5 CCNC(=O)CSCSC 62a_100011218213_100000183381 [0,2,0,0,0,0|1,0,0]=3 3683 B9R0.5 CCNC(=O)NCCC#N 2708a_100000720768_100015525214 [0,2,0,0,0,0|1,0,1]=4 3684 B9R0.5 CCNC(=O)NCCC#N 2708a_100015525214_100000720768 [0,2,0,0,0,0|1,0,1]=4 3685 B9R0.5 CCNC(=O)NCCC#N 273464a_100000720768_100015525214 [0,2,0,0,0,0|1,0,1]=4 3686 B9R0.5 CCNC(=O)NCCC#N 273464a_100015525214_100000720768 [0,2,0,0,0,0|1,0,1]=4 3687 B9R0.5 CCNC(=O)NCCC#N 512a_100000720768_100015525214 [0,2,0,0,0,0|1,0,1]=4 3688 B9R0.5 CCNC(=O)NCCC#N 512a_100015525214_100000720768 [0,2,0,0,0,0|1,0,1]=4 3689 B9R0.5 CCNC(=O)NCCCF 2708a_100015189416_100015525214 [0,2,0,0,0,0|1,0,0]=3 3690 B9R0.5 CCNC(=O)NCCCF 2708a_100015525214_100015189416 [0,2,0,0,0,0|1,0,0]=3 3691 B9R0.5 CCNC(=O)NCCCF 273464a_100015189416_100015525214 [0,2,0,0,0,0|1,0,0]=3 3692 B9R0.5 CCNC(=O)NCCCF 273464a_100015525214_100015189416 [0,2,0,0,0,0|1,0,0]=3 3693 B9R0.5 CCNC(=O)NCCCF 512a_100015189416_100015525214 [0,2,0,0,0,0|1,0,0]=3 3694 B9R0.5 CCNC(=O)NCCCF 512a_100015525214_100015189416 [0,2,0,0,0,0|1,0,0]=3 3695 B9R0.5 CCNC(=O)NCCCO 2708a_100015525214_100000182051 [0,2,0,0,0,0|1,0,0]=3 3696 B9R0.5 CCNC(=O)NCCCO 273464a_100000182051_100015525214 [0,2,0,0,0,0|1,0,0]=3 3697 B9R0.5 CCNC(=O)NCCCO 273464a_100015525214_100000182051 [0,2,0,0,0,0|1,0,0]=3 3698 B9R0.5 CCNC(=O)NCCCO 512a_100015525214_100000182051 [0,2,0,0,0,0|1,0,0]=3 3699 B9R0.5 CCNC(=O)NCCOC 2708a_100015525214_100000209980 [0,2,0,0,0,0|1,0,0]=3 3700 B9R0.5 CCNC(=O)NCCOC 273464a_100000209980_100015525214 [0,2,0,0,0,0|1,0,0]=3 3701 B9R0.5 CCNC(=O)NCCOC 273464a_100015525214_100000209980 [0,2,0,0,0,0|1,0,0]=3 3702 B9R0.5 CCNC(=O)NCCSC 2708a_100015525214_100020590264 [0,2,0,0,0,0|1,0,0]=3 3703 B9R0.5 CCNC(=O)NCCSC 2708a_100020590264_100015525214 [0,2,0,0,0,0|1,0,0]=3 3704 B9R0.5 CCNC(=O)NCCSC 273464a_100015525214_100020590264 [0,2,0,0,0,0|1,0,0]=3 3705 B9R0.5 CCNC(=O)NCCSC 273464a_100020590264_100015525214 [0,2,0,0,0,0|1,0,0]=3 3706 B9R0.5 CCNC(=O)NCCSC 512a_100015525214_100020590264 [0,2,0,0,0,0|1,0,0]=3 3707 B9R0.5 CCNC(=O)NCCSC 512a_100020590264_100015525214 [0,2,0,0,0,0|1,0,0]=3 3708 B9R0.5 CCNC(=O)NNCCO 273464a_100015525214_100000210001 [0,2,0,0,0,0|2,0,0]=4 3709 B9R0.5 CCNC(=O)NNCCO 512a_100015525214_100000210001 [0,2,0,0,0,0|2,0,0]=4 3710 B9R0.5 CCNCCC(=O)NCC 2230a_100015525214_100000737597 [0,2,0,0,0,0|1,0,0]=3 3711 B9R0.5 CCNCCC(=O)NCC 34a_100025743525_100000210202 [0,2,0,0,0,0|1,0,0]=3 3712 B9R0.5 CCNCCC(=O)OCC 2230a_100015525214_100011206558 [0,2,0,0,0,0|0,0,0]=2 3713 B9R0.5 CCNN=CC(=O)OCC 4a_100000756455_100000742314 [0,2,0,0,0,0|0,0,1]=3 3714 B9R0.5 CCOC(=O)/C=C/CNC 2230a_106832991635_100016267167 [0,2,0,0,0,0|0,0,1]=3 3715 B9R0.5 CCOC(=O)/C=C/CNC 34a_100102657272_100016267167 [0,2,0,0,0,0|0,0,1]=3 3716 B9R0.5 CCOC(=O)/C=C/CNC 7a_106832991635_100016267167 [0,2,0,0,0,0|0,0,1]=3 3717 B9R0.5 CCOC(=O)/C=C/COC 34a_100138415774_100016267167 [0,2,0,0,0,0|0,0,1]=3 3718 B9R0.5 CCOC(=O)/C=C/CSC 62a_100016267167_200000210301 [0,2,0,0,0,0|0,0,1]=3 3719 B9R0.5 CCOC(=O)/C=C/CSC 62a_200000210301_100016267167 [0,2,0,0,0,0|0,0,1]=3 3720 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_100016267167_200025704644 [0,2,0,0,0,0|0,0,1]=3 3721 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_200025704644_100016267167 [0,2,0,0,0,0|0,0,1]=3 3722 B9R0.5 CCOC(=O)CCCNC 2230a_106832991635_100009991533 [0,2,0,0,0,0|0,0,0]=2 3723 B9R0.5 CCOC(=O)CCCNC 34a_100102657272_100009991533 [0,2,0,0,0,0|0,0,0]=2 3724 B9R0.5 CCOC(=O)CCCNC 7a_106832991635_100011215271 [0,2,0,0,0,0|0,0,0]=2 3725 B9R0.5 CCOC(=O)CCCOC 34a_100138415774_100009991533 [0,2,0,0,0,0|0,0,0]=2 3726 B9R0.5 CCOC(=O)CCCOC 7a_100012001163_200000210301 [0,2,0,0,0,0|0,0,0]=2 3727 B9R0.5 CCOC(=O)CCCO[13CH3] 7a_100012001163_200025704644 [0,2,0,0,0,0|0,0,0]=2 3728 B9R0.5 CCOC(=O)CCCSC 62a_100009991533_200000210301 [0,2,0,0,0,0|0,0,0]=2 3729 B9R0.5 CCOC(=O)CCCSC 62a_200000210301_100009991533 [0,2,0,0,0,0|0,0,0]=2 3730 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_100009991533_200025704644 [0,2,0,0,0,0|0,0,0]=2 3731 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_200025704644_100009991533 [0,2,0,0,0,0|0,0,0]=2 3732 B9R0.5 CCOC(=O)CCSCC 62a_100000210202_100000765890 [0,2,0,0,0,0|0,0,0]=2 3733 B9R0.5 CCOC(=O)CCSCC 62a_100000765890_100000210202 [0,2,0,0,0,0|0,0,0]=2 3734 B9R0.5 CCOC(=O)CCSCF 62a_100000765890_100015361967 [0,2,0,0,0,0|0,0,0]=2 3735 B9R0.5 CCOC(=O)CCSCF 62a_100015361967_100000765890 [0,2,0,0,0,0|0,0,0]=2 3736 B9R0.5 CCOC(=O)CNCCF 34a_100000724931_100000188475 [0,2,0,0,0,0|0,0,0]=2 3737 B9R0.5 CCOC(=O)CNCCO 2230a_100016997473_100000188475 [0,2,0,0,0,0|0,0,0]=2 3738 B9R0.5 CCOC(=O)CNCCO 34a_100016990907_100000188475 [0,2,0,0,0,0|0,0,0]=2 3739 B9R0.5 CCOC(=O)COCCBr 34a_100000211926_100000188475 [0,2,0,0,0,0|0,0,0]=2 3740 B9R0.5 CCOC(=O)COCCN 34a_100000210304_100000188475 [0,2,0,0,0,0|0,0,0]=2 3741 B9R0.5 CCOC(=O)CSCC#N 62a_100000188475_100011215382 [0,2,0,0,0,0|0,0,1]=3 3742 B9R0.5 CCOC(=O)CSCC#N 62a_100011215382_100000188475 [0,2,0,0,0,0|0,0,1]=3 3743 B9R0.5 CCOC(=O)CSCC=O 62a_100000188475_200015260668 [0,2,0,0,0,0|0,0,1]=3 3744 B9R0.5 CCOC(=O)CSCC=O 62a_200015260668_100000188475 [0,2,0,0,0,0|0,0,1]=3 3745 B9R0.5 CCOC(=O)CSCCF 62a_100000188475_100011217306 [0,2,0,0,0,0|0,0,0]=2 3746 B9R0.5 CCOC(=O)CSCCF 62a_100011217306_100000188475 [0,2,0,0,0,0|0,0,0]=2 3747 B9R0.5 CCOC(=O)CSCCO 62a_100000188475_100000211926 [0,2,0,0,0,0|0,0,0]=2 3748 B9R0.5 CCOC(=O)CSCCO 62a_100000211926_100000188475 [0,2,0,0,0,0|0,0,0]=2 3749 B9R0.5 CCOC(=O)CSCOC 62a_100000188475_100000766300 [0,2,0,0,0,0|0,0,0]=2 3750 B9R0.5 CCOC(=O)CSCOC 62a_100000766300_100000188475 [0,2,0,0,0,0|0,0,0]=2 3751 B9R0.5 CCOC(=O)CSCSC 62a_100000188475_100011218213 [0,2,0,0,0,0|0,0,0]=2 3752 B9R0.5 CCOC(=O)CSCSC 62a_100011218213_100000188475 [0,2,0,0,0,0|0,0,0]=2 3753 B9R0.5 CCOC(=O)NCCNC 7a_106832991635_200011445536 [0,2,0,0,0,0|0,0,0]=2 3754 B9R0.5 CCOC(=O)NCCOC 34a_100000158857_200000210301 [0,2,0,0,0,0|0,0,0]=2 3755 B9R0.5 CCOC(=O)NCCO[13CH3] 34a_100000158857_200025704644 [0,2,0,0,0,0|0,0,0]=2 3756 B9R0.5 CCOC(=O)NCCSC 62a_200000210301_200011445536 [0,2,0,0,0,0|0,0,0]=2 3757 B9R0.5 CCOC(=O)NCCS[13CH3] 62a_200025704644_200011445536 [0,2,0,0,0,0|0,0,0]=2 3758 B9R0.5 CCOC(=O)OCSCC 62a_100000210202_100000075025 [0,2,0,0,0,0|0,0,0]=2 3759 B9R0.5 CCOC(=O)OCSCF 62a_100015361967_100000075025 [0,2,0,0,0,0|1,0,0]=3 3760 B9R0.5 CCOC(C)CCCOC 34a_200011539412_100000210202 [0,2,0,0,0,0|1,0,1]=4 3761 B9R0.5 CCOC(C)CCCOC 7a_200011539412_100000210202 [0,2,0,0,0,0|1,0,1]=4 3762 B9R0.5 CCOC=CC(=O)CC#N 1458a_100016266692_100011214920 [0,2,0,0,0,0|1,0,1]=4 3763 B9R0.5 CCOC=CC(=O)CCF 1458a_100016266692_100011217306 [0,2,0,0,0,0|1,0,0]=3 3764 B9R0.5 CCOC=CC(=O)CCO 1458a_100016266692_100000211926 [0,2,0,0,0,0|1,0,0]=3 3765 B9R0.5 CCOC=CC(=O)NNC 22a_100016993582_100016266692 [0,2,0,0,0,0|2,0,0]=4 3766 B9R0.5 CCOCCC(=O)CC#N 1458a_100000749530_100011214920 [0,2,0,0,0,0|1,0,1]=4 3767 B9R0.5 CCOCCC(=O)CC#N 1458a_100051588842_100011215890 [0,2,0,0,0,0|1,0,1]=4 3768 B9R0.5 CCOCCC(=O)CCF 1458a_100000749530_100011217306 [0,2,0,0,0,0|1,0,0]=3 3769 B9R0.5 CCOCCC(=O)CCO 1458a_100000749530_100000211926 [0,2,0,0,0,0|1,0,0]=3 3770 B9R0.5 CCOCCC(=O)CCO 1458a_100011216618_100011215890 [0,2,0,0,0,0|1,0,0]=3 3771 B9R0.5 CCOCCC(=O)COC 1458a_100000210968_100011215890 [0,2,0,0,0,0|1,0,0]=3 3772 B9R0.5 CCOCCC(=O)CSC 1458a_100000184570_100011215890 [0,2,0,0,0,0|1,0,0]=3 3773 B9R0.5 CCOCCC(=O)NNC 22a_100016993582_100000749530 [0,2,0,0,0,0|2,0,0]=4 3774 B9R0.5 CCOCCC(=O)OCC 34a_100121572206_100000765890 [0,2,0,0,0,0|0,0,0]=2 3775 B9R0.5 CCSCCC(=O)CCF 1458a_100000230768_100011217306 [0,2,0,0,0,0|1,1,0]=4 3776 B9R0.5 CCSCCC(=O)CCO 1458a_100000230768_100000211926 [0,2,0,0,0,0|1,1,0]=4 3777 B9R0.5 CCSCCC(=O)CCO 1458a_100011216618_100000757381 [0,2,0,0,0,0|1,1,0]=4 3778 B9R0.5 CCSCCC(=O)COC 1458a_100000210968_100000757381 [0,2,0,0,0,0|1,1,0]=4 3779 B9R0.5 CCSCCC(=O)CSC 1458a_100000184570_100000757381 [0,2,0,0,0,0|1,1,0]=4 3780 B9R0.5 CCSCCC(=O)NNC 22a_100016993582_100000230768 [0,2,0,0,0,0|2,0,0]=4 3781 B9R0.5 CNCC(=O)NCCOC 2230a_100000754632_200000210301 [0,2,0,0,0,0|2,0,0]=4 3782 B9R0.5 CNCC(=O)NCCOC 2230a_106832991635_100000183275 [0,2,0,0,0,0|2,0,0]=4 3783 B9R0.5 CNCC(=O)NCCOC 34a_100102657272_100000183275 [0,2,0,0,0,0|2,0,0]=4 3784 B9R0.5 CNCC(=O)NCCOC 7a_106832991635_100000183275 [0,2,0,0,0,0|2,0,0]=4 3785 B9R0.5 CNCC(=O)OCCOC 2230a_106832991635_200000040189 [0,2,0,0,0,0|1,0,0]=3 3786 B9R0.5 CNCC(=O)OCCOC 34a_100102657272_200000040189 [0,2,0,0,0,0|1,0,0]=3 3787 B9R0.5 CNCC(=O)OCCOC 7a_106832991635_200000040189 [0,2,0,0,0,0|1,0,0]=3 3788 B9R0.5 CNNC(=O)CCCC#N 22a_100016993582_100000075515 [0,2,0,0,0,0|2,0,0]=4 3789 B9R0.5 CNNC(=O)CCCOC 22a_100016993582_100000741012 [0,2,0,0,0,0|2,0,0]=4 3790 B9R0.5 CNNC(=O)CCCSC 22a_100016993582_100000173376 [0,2,0,0,0,0|2,0,0]=4 3791 B9R0.5 CNNC(=O)NCCCF 273464a_100015189416_100016993582 [0,2,0,0,0,0|2,0,0]=4 3792 B9R0.5 CNNC(=O)NCCCF 512a_100015189416_100016993582 [0,2,0,0,0,0|2,0,0]=4 3793 B9R0.5 CNNC(=O)NCCCF 512a_100016993582_100015189416 [0,2,0,0,0,0|2,0,0]=4 3794 B9R0.5 CNNC(=O)NCCCO 273464a_100000182051_100016993582 [0,2,0,0,0,0|2,0,0]=4 3795 B9R0.5 CNNC(=O)NCCCO 512a_100016993582_100000182051 [0,2,0,0,0,0|2,0,0]=4 3796 B9R0.5 CNNC(=O)NCCOC 273464a_100000209980_100016993582 [0,2,0,0,0,0|2,0,0]=4 3797 B9R0.5 CNNC(=O)NCCSC 273464a_100020590264_100016993582 [0,2,0,0,0,0|2,0,0]=4 3798 B9R0.5 CNNC(=O)NCCSC 512a_100016993582_100020590264 [0,2,0,0,0,0|2,0,0]=4 3799 B9R0.5 CNNC(=O)NCCSC 512a_100020590264_100016993582 [0,2,0,0,0,0|2,0,0]=4 3800 B9R0.5 COCC(=O)CCCC#N 1458a_100000210968_100000211468 [0,2,0,0,0,0|2,0,0]=4 3801 B9R0.5 COCC(=O)CCCCF 1458a_100000210968_100000729493 [0,2,0,0,0,0|2,0,0]=4 3802 B9R0.5 COCC(=O)CCCCO 1458a_100000210968_100000210776 [0,2,0,0,0,0|2,0,0]=4 3803 B9R0.5 COCC(=O)NCCC#N 11a_100000720768_100000210968 [0,2,0,0,0,0|2,0,0]=4 3804 B9R0.5 COCC(=O)NCCC#N 1626a_100000720768_100000210968 [0,2,0,0,0,0|2,0,0]=4 3805 B9R0.5 COCC(=O)NCCC#N 240690a_100000720768_100000210968 [0,2,0,0,0,0|2,0,0]=4 3806 B9R0.5 COCC(=O)NCCC#N 527a_100000720768_100000210968 [0,2,0,0,0,0|2,0,0]=4 3807 B9R0.5 COCC(=O)NCCCF 11a_100015189416_100000210968 [0,2,0,0,0,0|2,0,0]=4 3808 B9R0.5 COCC(=O)NCCCF 1626a_100015189416_100000210968 [0,2,0,0,0,0|2,0,0]=4 3809 B9R0.5 COCC(=O)NCCCF 240690a_100015189416_100000210968 [0,2,0,0,0,0|2,0,0]=4 3810 B9R0.5 COCC(=O)NCCCF 527a_100015189416_100000210968 [0,2,0,0,0,0|2,0,0]=4 3811 B9R0.5 COCC(=O)NCCCO 240690a_100000182051_100000210968 [0,2,0,0,0,0|2,0,0]=4 3812 B9R0.5 COCC(=O)NCCCO 527a_100000182051_100000210968 [0,2,0,0,0,0|2,0,0]=4 3813 B9R0.5 COCC(=O)NCCSC 11a_100020590264_100000210968 [0,2,0,0,0,0|2,0,0]=4 3814 B9R0.5 COCC(=O)NCCSC 1626a_100020590264_100000210968 [0,2,0,0,0,0|2,0,0]=4 3815 B9R0.5 COCC(=O)NCCSC 240690a_100020590264_100000210968 [0,2,0,0,0,0|2,0,0]=4 3816 B9R0.5 COCC(=O)NCCSC 527a_100020590264_100000210968 [0,2,0,0,0,0|2,0,0]=4 3817 B9R0.5 COCC(=O)NNCCO 22a_100000210001_100000210968 [0,2,0,0,0,0|2,0,0]=4 3818 B9R0.5 COCC=CC(=O)CCF 1458a_100016285016_100011217306 [0,2,0,0,0,0|2,0,0]=4 3819 B9R0.5 COCC=CC(=O)CCO 1458a_100016285016_100000211926 [0,2,0,0,0,0|2,0,0]=4 3820 B9R0.5 COCCCC(=O)CCF 1458a_100000741012_100011217306 [0,2,0,0,0,0|2,0,0]=4 3821 B9R0.5 COCCCC(=O)CCO 1458a_100000741012_100000211926 [0,2,0,0,0,0|2,0,0]=4 3822 B9R0.5 COCCCC(=O)CCO 1458a_100011216618_100000740836 [0,2,0,0,0,0|2,0,0]=4 3823 B9R0.5 COCCCC(=O)COC 1458a_100000210968_100000740836 [0,2,0,0,0,0|2,0,0]=4 3824 B9R0.5 COCCCC(=O)CSC 1458a_100000184570_100000740836 [0,2,0,0,0,0|2,0,0]=4 3825 B9R0.5 COCCNC(=O)CCO 240690a_100000209980_100011216618 [0,2,0,0,0,0|2,0,0]=4 3826 B9R0.5 COCCNC(=O)CN[13CH3] 2230a_100000754632_200025704644 [0,2,0,0,0,0|2,0,0]=4 3827 B9R0.5 COCCNC(=O)COC 1626a_100000209980_100000210968 [0,2,0,0,0,0|2,0,0]=4 3828 B9R0.5 COCCNC(=O)COC 240690a_100000209980_100000210968 [0,2,0,0,0,0|2,0,0]=4 3829 B9R0.5 COCCNC(=O)COC 34a_100138415774_100000183275 [0,2,0,0,0,0|2,0,0]=4 3830 B9R0.5 COCCNC(=O)COC 527a_100000209980_100000210968 [0,2,0,0,0,0|2,0,0]=4 3831 B9R0.5 COCCNC(=O)CSC 1626a_100000209980_100000184570 [0,2,0,0,0,0|2,0,0]=4 3832 B9R0.5 COCCNC(=O)CSC 240690a_100000209980_100000184570 [0,2,0,0,0,0|2,0,0]=4 3833 B9R0.5 COCCNC(=O)CSC 527a_100000209980_100000184570 [0,2,0,0,0,0|2,0,0]=4 3834 B9R0.5 COCCNC(=O)CSC 62a_100000183275_200000210301 [0,2,0,0,0,0|2,0,0]=4 3835 B9R0.5 COCCNC(=O)CSC 62a_200000210301_100000183275 [0,2,0,0,0,0|2,0,0]=4 3836 B9R0.5 COCCNC(=O)CS[13CH3] 62a_100000183275_200025704644 [0,2,0,0,0,0|2,0,0]=4 3837 B9R0.5 COCCNC(=O)CS[13CH3] 62a_200025704644_100000183275 [0,2,0,0,0,0|2,0,0]=4 3838 B9R0.5 COCCOC(=O)COC 34a_100138415774_200000040189 [0,2,0,0,0,0|1,0,0]=3 3839 B9R0.5 COCCOC(=O)CSC 62a_200000040189_200000210301 [0,2,0,0,0,0|1,0,0]=3 3840 B9R0.5 COCCOC(=O)CSC 62a_200000210301_200000040189 [0,2,0,0,0,0|1,0,0]=3 3841 B9R0.5 COCCOC(=O)CS[13CH3] 62a_200000040189_200025704644 [0,2,0,0,0,0|1,0,0]=3 3842 B9R0.5 COCCOC(=O)CS[13CH3] 62a_200025704644_200000040189 [0,2,0,0,0,0|1,0,0]=3 3843 B9R0.5 COCSCC(=O)NCO 62a_100000185155_100000766300 [0,2,0,0,0,0|2,0,0]=4 3844 B9R0.5 COCSCC(=O)NCO 62a_100000766300_100000185155 [0,2,0,0,0,0|2,0,0]=4 3845 B9R0.5 CSCC(=O)CCCC#N 1458a_100000184570_100000211468 [0,2,0,0,0,0|2,0,0]=4 3846 B9R0.5 CSCC(=O)CCCCF 1458a_100000184570_100000729493 [0,2,0,0,0,0|2,0,0]=4 3847 B9R0.5 CSCC(=O)CCCCO 1458a_100000184570_100000210776 [0,2,0,0,0,0|2,0,0]=4 3848 B9R0.5 CSCC(=O)NCCC#N 11a_100000720768_100000184570 [0,2,0,0,0,0|2,0,0]=4 3849 B9R0.5 CSCC(=O)NCCC#N 1626a_100000720768_100000184570 [0,2,0,0,0,0|2,0,0]=4 3850 B9R0.5 CSCC(=O)NCCC#N 240690a_100000720768_100000184570 [0,2,0,0,0,0|2,0,0]=4 3851 B9R0.5 CSCC(=O)NCCC#N 527a_100000720768_100000184570 [0,2,0,0,0,0|2,0,0]=4 3852 B9R0.5 CSCC(=O)NCCCF 11a_100015189416_100000184570 [0,2,0,0,0,0|2,0,0]=4 3853 B9R0.5 CSCC(=O)NCCCF 1626a_100015189416_100000184570 [0,2,0,0,0,0|2,0,0]=4 3854 B9R0.5 CSCC(=O)NCCCF 240690a_100015189416_100000184570 [0,2,0,0,0,0|2,0,0]=4 3855 B9R0.5 CSCC(=O)NCCCF 527a_100015189416_100000184570 [0,2,0,0,0,0|2,0,0]=4 3856 B9R0.5 CSCC(=O)NCCCO 240690a_100000182051_100000184570 [0,2,0,0,0,0|2,0,0]=4 3857 B9R0.5 CSCC(=O)NCCCO 527a_100000182051_100000184570 [0,2,0,0,0,0|2,0,0]=4 3858 B9R0.5 CSCC(=O)NNCCO 22a_100000210001_100000184570 [0,2,0,0,0,0|2,0,0]=4 3859 B9R0.5 CSCCCC(=O)CCF 1458a_100000173376_100011217306 [0,2,0,0,0,0|2,0,0]=4 3860 B9R0.5 CSCCCC(=O)CCO 1458a_100000173376_100000211926 [0,2,0,0,0,0|2,0,0]=4 3861 B9R0.5 CSCCNC(=O)CCO 240690a_100020590264_100011216618 [0,2,0,0,0,0|2,0,0]=4 3862 B9R0.5 CSCCNC(=O)CSC 11a_100020590264_100000184570 [0,2,0,0,0,0|2,0,0]=4 3863 B9R0.5 CSCCNC(=O)CSC 1626a_100020590264_100000184570 [0,2,0,0,0,0|2,0,0]=4 3864 B9R0.5 CSCCNC(=O)CSC 240690a_100020590264_100000184570 [0,2,0,0,0,0|2,0,0]=4 3865 B9R0.5 CSCCNC(=O)CSC 527a_100020590264_100000184570 [0,2,0,0,0,0|2,0,0]=4 3866 B9R0.5 CSCSCC(=O)NCO 62a_100000185155_100011218213 [0,2,0,0,0,0|2,0,0]=4 3867 B9R0.5 CSCSCC(=O)NCO 62a_100011218213_100000185155 [0,2,0,0,0,0|2,0,0]=4 3868 B9R0.5 N#CCC(=O)COCCO 1458a_100000708028_100011214920 [0,2,0,0,0,0|1,0,1]=4 3869 B9R0.5 N#CCCCC(=O)CCF 1458a_100000075515_100011217306 [0,2,0,0,0,0|2,0,0]=4 3870 B9R0.5 N#CCCCC(=O)CCO 1458a_100000075515_100000211926 [0,2,0,0,0,0|2,0,0]=4 3871 B9R0.5 N#CCCCC(=O)CCO 1458a_100011216618_100000211468 [0,2,0,0,0,0|2,0,0]=4 3872 B9R0.5 N#CCCNC(=O)CCO 240690a_100000720768_100011216618 [0,2,0,0,0,0|2,0,0]=4 3873 B9R0.5 NCCOCC(=O)NCO 34a_100000210304_100000185155 [0,2,0,0,0,0|2,0,0]=4 3874 B9R0.5 O=C(CCF)CCCCO 1458a_100000695505_100011217306 [0,2,0,0,0,0|2,0,0]=4 3875 B9R0.5 O=C(CCF)COCCO 1458a_100000708028_100011217306 [0,2,0,0,0,0|1,0,0]=3 3876 B9R0.5 O=C(CCO)CCCCF 1458a_100011216618_100000729493 [0,2,0,0,0,0|2,0,0]=4 3877 B9R0.5 O=C(CCO)CCCCO 1458a_100000695505_100000211926 [0,2,0,0,0,0|2,0,0]=4 3878 B9R0.5 O=C(CCO)CCCCO 1458a_100011216618_100000210776 [0,2,0,0,0,0|2,0,0]=4 3879 B9R0.5 O=C(CCO)COCCO 1458a_100000708028_100000211926 [0,2,0,0,0,0|1,0,0]=3 3880 B9R0.5 O=C(CCO)NCCCF 240690a_100015189416_100011216618 [0,2,0,0,0,0|2,0,0]=4 3881 B9R0.5 O=C(CCO)NCCCO 240690a_100000182051_100011216618 [0,2,0,0,0,0|2,0,0]=4 3882 B9R0.5 O=C(CCO)NNCCO 22a_100000210001_100011216618 [0,2,0,0,0,0|2,0,0]=4 3883 B9R0.5 O=C(CNCCF)NCO 34a_100000724931_100000185155 [0,2,0,0,0,0|2,0,0]=4 3884 B9R0.5 O=C(CNCCO)NCO 2230a_100016997473_100000185155 [0,2,0,0,0,0|2,0,0]=4 3885 B9R0.5 O=C(CNCCO)NCO 34a_100016990907_100000185155 [0,2,0,0,0,0|2,0,0]=4 3886 B9R0.5 O=C(COCCBr)NCO 34a_100000211926_100000185155 [0,2,0,0,0,0|2,0,0]=4 3887 B9R0.5 O=C(CSCCF)NCO 62a_100000185155_100011217306 [0,2,0,0,0,0|2,0,0]=4 3888 B9R0.5 O=C(CSCCF)NCO 62a_100011217306_100000185155 [0,2,0,0,0,0|2,0,0]=4 3889 B9R0.5 O=C(CSCCO)NCO 62a_100000185155_100000211926 [0,2,0,0,0,0|2,0,0]=4 3890 B9R0.5 O=C(CSCCO)NCO 62a_100000211926_100000185155 [0,2,0,0,0,0|2,0,0]=4 3891 B9R0.8 C#CC(C)C(=O)COCC 1458a_100000211967_200000035995 [0,2,0,0,0,0|0,0,2]=4 3892 B9R0.8 C#CCCC(=O)C(C)CC 1458a_100000692101_100000758301 [0,2,0,0,0,0|1,0,1]=4 3893 B9R0.8 C#CCCC(=O)C(C)CC 1458a_100011192722_100000753159 [0,2,0,0,0,0|1,0,1]=4 3894 B9R0.8 C#CCCC(=O)C(O)CC 1458a_100011196387_100000753159 [0,2,0,0,0,0|1,0,1]=4 3895 B9R0.8 C#CCCC(=O)N(C)CC 11a_100000225621_100000692101 [0,2,0,0,0,0|1,0,1]=4 3896 B9R0.8 C#CCCC(=O)N(C)CC 1626a_100000225621_100000692101 [0,2,0,0,0,0|1,0,1]=4 3897 B9R0.8 C#CCCC(=O)N(C)CC 240690a_100000225621_100000692101 [0,2,0,0,0,0|1,0,1]=4 3898 B9R0.8 C#CCCC(=O)N(C)CC 527a_100000225621_100000692101 [0,2,0,0,0,0|1,0,1]=4 3899 B9R0.8 C#CCNC(=O)C(C)CC 11a_100000212058_100011192722 [0,2,0,0,0,0|1,0,1]=4 3900 B9R0.8 C#CCNC(=O)C(C)CC 1626a_100000212058_100011192722 [0,2,0,0,0,0|1,0,1]=4 3901 B9R0.8 C#CCNC(=O)C(C)CC 240690a_100000212058_100011192722 [0,2,0,0,0,0|1,0,1]=4 3902 B9R0.8 C#CCNC(=O)C(C)CC 527a_100000212058_100011192722 [0,2,0,0,0,0|1,0,1]=4 3903 B9R0.8 C#CCNC(=O)C(O)CC 240690a_100000212058_100011196387 [0,2,0,0,0,0|1,0,1]=4 3904 B9R0.8 C/C=C(\C)/C(=O)CCCC 1458a_100020587367_100000210211 [0,2,0,0,0,0|1,0,1]=4 3905 B9R0.8 C/C=C(\C)/C(=O)CCCF 1458a_100020587367_100011934791 [0,2,0,0,0,0|1,0,1]=4 3906 B9R0.8 C/C=C(\C)/C(=O)CCCO 1458a_100020587367_100011215043 [0,2,0,0,0,0|1,0,1]=4 3907 B9R0.8 C/C=C(\C)/C(=O)CCOC 1458a_100020587367_100000233755 [0,2,0,0,0,0|1,0,1]=4 3908 B9R0.8 C/C=C(\C)/C(=O)CCSC 1458a_100020587367_100000751147 [0,2,0,0,0,0|1,0,1]=4 3909 B9R0.8 C/C=C(\C)/C(=O)NCCC 11a_100020643023_100020587367 [0,2,0,0,0,0|1,0,1]=4 3910 B9R0.8 C/C=C(\C)/C(=O)NCCC 1626a_100020643023_100020587367 [0,2,0,0,0,0|1,0,1]=4 3911 B9R0.8 C/C=C/CC(=O)C(C)CC 1458a_100011192722_100102629194 [0,2,0,0,0,0|1,0,1]=4 3912 B9R0.8 C/C=C/CC(=O)C(O)CC 1458a_100011196387_100102629194 [0,2,0,0,0,0|1,0,1]=4 3913 B9R0.8 C=CCCC(=O)C(C)CC 1458a_100000749702_100000758301 [0,2,0,0,0,0|1,0,1]=4 3914 B9R0.8 C=CCCC(=O)C(C)CC 1458a_100011192722_100000754431 [0,2,0,0,0,0|1,0,1]=4 3915 B9R0.8 C=CCCC(=O)C(O)CC 1458a_100011196387_100000754431 [0,2,0,0,0,0|1,0,1]=4 3916 B9R0.8 C=CCCC(=O)N(C)CC 11a_100000225621_100000749702 [0,2,0,0,0,0|1,0,1]=4 3917 B9R0.8 C=CCCC(=O)N(C)CC 1626a_100000225621_100000749702 [0,2,0,0,0,0|1,0,1]=4 3918 B9R0.8 C=CCCC(=O)N(C)CC 240690a_100000225621_100000749702 [0,2,0,0,0,0|1,0,1]=4 3919 B9R0.8 C=CCCC(=O)N(C)CC 527a_100000225621_100000749702 [0,2,0,0,0,0|1,0,1]=4 3920 B9R0.8 C=CCNC(=O)C(C)CC 1626a_100020586998_100011192722 [0,2,0,0,0,0|1,0,1]=4 3921 B9R0.8 C=CCNC(=O)C(C)CC 240690a_100020586998_100011192722 [0,2,0,0,0,0|1,0,1]=4 3922 B9R0.8 C=CCNC(=O)C(C)CC 527a_100020586998_100011192722 [0,2,0,0,0,0|1,0,1]=4 3923 B9R0.8 C=CCNC(=O)C(O)CC 240690a_100020586998_100011196387 [0,2,0,0,0,0|1,0,1]=4 3924 B9R0.8 CC#CCC(=O)C(C)CC 1458a_100011192722_100000748600 [0,2,0,0,0,0|1,0,1]=4 3925 B9R0.8 CC#CCC(=O)C(O)CC 1458a_100011196387_100000748600 [0,2,0,0,0,0|1,0,1]=4 3926 B9R0.8 CC=CCC(=O)C(C)CC 1458a_100011192722_100000070051 [0,2,0,0,0,0|1,0,1]=4 3927 B9R0.8 CC=CCC(=O)C(C)CC 1458a_100121576822_100000758301 [0,2,0,0,0,0|1,0,1]=4 3928 B9R0.8 CC=CCC(=O)C(O)CC 1458a_100011196387_100000070051 [0,2,0,0,0,0|1,0,1]=4 3929 B9R0.8 CC=CCC(=O)N(C)CC 11a_100000225621_100121576822 [0,2,0,0,0,0|1,0,1]=4 3930 B9R0.8 CC=CCC(=O)N(C)CC 1626a_100000225621_100121576822 [0,2,0,0,0,0|1,0,1]=4 3931 B9R0.8 CC=CCC(=O)N(C)CC 240690a_100000225621_100121576822 [0,2,0,0,0,0|1,0,1]=4 3932 B9R0.8 CC=CCC(=O)N(C)CC 527a_100000225621_100121576822 [0,2,0,0,0,0|1,0,1]=4 3933 B9R0.8 CC=NNC(=O)C(C)CC 4a_100000740736_200000210099 [0,2,0,0,0,0|1,0,1]=4 3934 B9R0.8 CCC#CC(=O)C(C)CC 1458a_100011827653_100000758301 [0,2,0,0,0,0|1,0,0]=3 3935 B9R0.8 CCC(C)C(=O)C#CCO 1458a_100000049017_100000758301 [0,2,0,0,0,0|1,0,1]=4 3936 B9R0.8 CCC(C)C(=O)C=COC 1458a_100016268678_100000758301 [0,2,0,0,0,0|1,0,1]=4 3937 B9R0.8 CCC(C)C(=O)CCC#N 1458a_100011192722_100011215226 [0,2,0,0,0,0|1,0,1]=4 3938 B9R0.8 CCC(C)C(=O)CCC#N 1458a_100011934036_100000758301 [0,2,0,0,0,0|1,0,1]=4 3939 B9R0.8 CCC(C)C(=O)CCCF 1458a_100011192722_100011934791 [0,2,0,0,0,0|1,0,0]=3 3940 B9R0.8 CCC(C)C(=O)CCCO 1458a_100011192722_100011215043 [0,2,0,0,0,0|1,0,0]=3 3941 B9R0.8 CCC(C)C(=O)CCOC 1458a_100000749529_100000758301 [0,2,0,0,0,0|1,0,0]=3 3942 B9R0.8 CCC(C)C(=O)CCOC 1458a_100011192722_100000233755 [0,2,0,0,0,0|1,0,0]=3 3943 B9R0.8 CCC(C)C(=O)CCSC 1458a_100000174002_100000758301 [0,2,0,0,0,0|1,0,0]=3 3944 B9R0.8 CCC(C)C(=O)CCSC 1458a_100011192722_100000751147 [0,2,0,0,0,0|1,0,0]=3 3945 B9R0.8 CCC(C)C(=O)NCC#N 1626a_100000734998_100011192722 [0,2,0,0,0,0|1,0,1]=4 3946 B9R0.8 CCC(C)C(=O)NCC#N 527a_100000734998_100011192722 [0,2,0,0,0,0|1,0,1]=4 3947 B9R0.8 CCC(C)C(=O)NCCF 11a_100000724931_100011192722 [0,2,0,0,0,0|1,0,0]=3 3948 B9R0.8 CCC(C)C(=O)NCCF 1626a_100000724931_100011192722 [0,2,0,0,0,0|1,0,0]=3 3949 B9R0.8 CCC(C)C(=O)NCCF 240690a_100000724931_100011192722 [0,2,0,0,0,0|1,0,0]=3 3950 B9R0.8 CCC(C)C(=O)NCCF 527a_100000724931_100011192722 [0,2,0,0,0,0|1,0,0]=3 3951 B9R0.8 CCC(C)C(=O)NCCO 240690a_100000210304_100011192722 [0,2,0,0,0,0|1,0,0]=3 3952 B9R0.8 CCC(C)C(=O)NCCO 527a_100000210304_100011192722 [0,2,0,0,0,0|1,0,0]=3 3953 B9R0.8 CCC(C)C(C)OCCF 7a_100011215189_100011217306 [0,2,0,0,0,0|1,0,1]=4 3954 B9R0.8 CCC(C)C(C)OCCO 7a_100011215189_100000211926 [0,2,0,0,0,0|1,0,1]=4 3955 B9R0.8 CCC(O)C(=O)CCC#N 1458a_100011196387_100011215226 [0,2,0,0,0,0|1,0,1]=4 3956 B9R0.8 CCC(O)C(=O)CCCF 1458a_100011196387_100011934791 [0,2,0,0,0,0|1,0,0]=3 3957 B9R0.8 CCC(O)C(=O)CCCO 1458a_100011196387_100011215043 [0,2,0,0,0,0|1,0,0]=3 3958 B9R0.8 CCC(O)C(=O)CCOC 1458a_100011196387_100000233755 [0,2,0,0,0,0|1,0,0]=3 3959 B9R0.8 CCC(O)C(=O)CCSC 1458a_100011196387_100000751147 [0,2,0,0,0,0|1,0,0]=3 3960 B9R0.8 CCC(O)C(=O)NCCF 240690a_100000724931_100011196387 [0,2,0,0,0,0|1,0,0]=3 3961 B9R0.8 CCC(O)C(=O)NCCO 240690a_100000210304_100011196387 [0,2,0,0,0,0|1,0,0]=3 3962 B9R0.8 CCC/C=C(\C)/C(=O)CC 1458a_200020648666_100000210202 [0,2,0,0,0,0|2,0,0]=4 3963 B9R0.8 CCC=CC(=O)C(C)CC 1458a_100000212282_100000758301 [0,2,0,0,0,0|1,0,0]=3 3964 B9R0.8 CCC=CC(=O)N(C)CC 11a_100000225621_100000212282 [0,2,0,0,0,0|1,0,1]=4 3965 B9R0.8 CCC=CC(=O)N(C)CC 1626a_100000225621_100000212282 [0,2,0,0,0,0|1,0,1]=4 3966 B9R0.8 CCC=CC(=O)N(C)CC 240690a_100000225621_100000212282 [0,2,0,0,0,0|1,0,1]=4 3967 B9R0.8 CCCCC(=O)C(=O)NC 1458a_100011218921_100000210211 [0,2,0,0,0,0|2,0,0]=4 3968 B9R0.8 CCCCC(=O)C(C)CC 1458a_100000210183_100000758301 [0,2,0,0,0,0|1,0,0]=3 3969 B9R0.8 CCCCC(=O)C(C)CC 1458a_100011192722_100000210211 [0,2,0,0,0,0|1,0,0]=3 3970 B9R0.8 CCCCC(=O)C(C)OC 1458a_100000743197_100000210211 [0,2,0,0,0,0|2,0,0]=4 3971 B9R0.8 CCCCC(=O)C(C)SC 1458a_100000149566_100000210211 [0,2,0,0,0,0|2,0,0]=4 3972 B9R0.8 CCCCC(=O)C(O)CC 1458a_100011196387_100000210211 [0,2,0,0,0,0|1,0,0]=3 3973 B9R0.8 CCCCC(=O)C(O)CO 1458a_100011215603_100000210211 [0,2,0,0,0,0|2,0,0]=4 3974 B9R0.8 CCCCC(=O)N(C)CC 11a_100000225621_100000210183 [0,2,0,0,0,0|1,0,0]=3 3975 B9R0.8 CCCCC(=O)N(C)CC 1626a_100000225621_100000210183 [0,2,0,0,0,0|1,0,0]=3 3976 B9R0.8 CCCCC(=O)N(C)CC 240690a_100000225621_100000210183 [0,2,0,0,0,0|1,0,0]=3 3977 B9R0.8 CCCCC(=O)N(C)CC 527a_100000225621_100000210183 [0,2,0,0,0,0|1,0,0]=3 3978 B9R0.8 CCCNC(=O)C(=O)CC 1458a_200011297150_100000210202 [0,2,0,0,0,0|1,0,0]=3 3979 B9R0.8 CCCNC(=O)C(=O)CF 1458a_200011297150_100015361967 [0,2,0,0,0,0|2,0,0]=4 3980 B9R0.8 CCCNC(=O)C(=O)NC 1626a_100020643023_100011218921 [0,2,0,0,0,0|2,0,0]=4 3981 B9R0.8 CCCNC(=O)C(=O)NC 1626a_100102657272_200011297150 [0,2,0,0,0,0|2,0,0]=4 3982 B9R0.8 CCCNC(=O)C(=O)NC 240690a_100020643023_100011218921 [0,2,0,0,0,0|2,0,0]=4 3983 B9R0.8 CCCNC(=O)C(=O)NC 240690a_100102657272_200011297150 [0,2,0,0,0,0|2,0,0]=4 3984 B9R0.8 CCCNC(=O)C(=O)NC 527a_100020643023_100011218921 [0,2,0,0,0,0|2,0,0]=4 3985 B9R0.8 CCCNC(=O)C(=O)NC 527a_100102657272_200011297150 [0,2,0,0,0,0|2,0,0]=4 3986 B9R0.8 CCCNC(=O)C(=O)OC 11a_100020643023_100000024059 [0,2,0,0,0,0|2,0,0]=4 3987 B9R0.8 CCCNC(=O)C(=O)OC 1626a_100020643023_100000024059 [0,2,0,0,0,0|2,0,0]=4 3988 B9R0.8 CCCNC(=O)C(=O)OC 240690a_100020643023_100000024059 [0,2,0,0,0,0|2,0,0]=4 3989 B9R0.8 CCCNC(=O)C(=O)OC 527a_100020643023_100000024059 [0,2,0,0,0,0|2,0,0]=4 3990 B9R0.8 CCCNC(=O)C(C)CC 11a_100020643023_100011192722 [0,2,0,0,0,0|1,0,0]=3 3991 B9R0.8 CCCNC(=O)C(C)CC 1626a_100020643023_100011192722 [0,2,0,0,0,0|1,0,0]=3 3992 B9R0.8 CCCNC(=O)C(C)CC 240690a_100020643023_100011192722 [0,2,0,0,0,0|1,0,0]=3 3993 B9R0.8 CCCNC(=O)C(C)CC 527a_100020643023_100011192722 [0,2,0,0,0,0|1,0,0]=3 3994 B9R0.8 CCCNC(=O)C(C)NC 2230a_100025744714_200000210301 [0,2,0,0,0,0|2,0,0]=4 3995 B9R0.8 CCCNC(=O)C(C)NC 2230a_106832991635_100000230305 [0,2,0,0,0,0|2,0,0]=4 3996 B9R0.8 CCCNC(=O)C(C)NC 34a_100025744714_200000210301 [0,2,0,0,0,0|2,0,0]=4 3997 B9R0.8 CCCNC(=O)C(C)NC 34a_100102657272_100000230305 [0,2,0,0,0,0|2,0,0]=4 3998 B9R0.8 CCCNC(=O)C(C)NC 7a_106832991635_100000230305 [0,2,0,0,0,0|2,0,0]=4 3999 B9R0.8 CCCNC(=O)C(C)N[13CH3] 2230a_100025744714_200025704644 [0,2,0,0,0,0|2,0,0]=4 4000 B9R0.8 CCCNC(=O)C(C)N[13CH3] 34a_100025744714_200025704644 [0,2,0,0,0,0|2,0,0]=4 4001 B9R0.8 CCCNC(=O)C(C)OC 11a_100020643023_100000743197 [0,2,0,0,0,0|2,0,0]=4 4002 B9R0.8 CCCNC(=O)C(C)OC 1626a_100020643023_100000743197 [0,2,0,0,0,0|2,0,0]=4 4003 B9R0.8 CCCNC(=O)C(C)OC 240690a_100020643023_100000743197 [0,2,0,0,0,0|2,0,0]=4 4004 B9R0.8 CCCNC(=O)C(C)OC 34a_100138415774_100000230305 [0,2,0,0,0,0|2,0,0]=4 4005 B9R0.8 CCCNC(=O)C(C)OC 527a_100020643023_100000743197 [0,2,0,0,0,0|2,0,0]=4 4006 B9R0.8 CCCNC(=O)C(C)SC 11a_100020643023_100000149566 [0,2,0,0,0,0|2,0,0]=4 4007 B9R0.8 CCCNC(=O)C(C)SC 1626a_100020643023_100000149566 [0,2,0,0,0,0|2,0,0]=4 4008 B9R0.8 CCCNC(=O)C(C)SC 240690a_100020643023_100000149566 [0,2,0,0,0,0|2,0,0]=4 4009 B9R0.8 CCCNC(=O)C(C)SC 527a_100020643023_100000149566 [0,2,0,0,0,0|2,0,0]=4 4010 B9R0.8 CCCNC(=O)C(C)SC 62a_100000230305_200000210301 [0,2,0,0,0,0|2,0,0]=4 4011 B9R0.8 CCCNC(=O)C(C)SC 62a_200000210301_100000230305 [0,2,0,0,0,0|2,0,0]=4 4012 B9R0.8 CCCNC(=O)C(C)S[13CH3] 62a_100000230305_200025704644 [0,2,0,0,0,0|2,0,0]=4 4013 B9R0.8 CCCNC(=O)C(C)S[13CH3] 62a_200025704644_100000230305 [0,2,0,0,0,0|2,0,0]=4 4014 B9R0.8 CCCNC(=O)C(O)CC 240690a_100020643023_100011196387 [0,2,0,0,0,0|1,0,0]=3 4015 B9R0.8 CCCNC(=O)C(O)CO 240690a_100020643023_100011215603 [0,2,0,0,0,0|2,0,0]=4 4016 B9R0.8 CCCNC(=O)N(C)CC 2708a_100020643023_100000225621 [0,2,0,0,0,0|1,0,0]=3 4017 B9R0.8 CCCNC(=O)N(C)CC 273464a_100020643023_100000225621 [0,2,0,0,0,0|1,0,0]=3 4018 B9R0.8 CCCOC(=O)C(C)NC 2230a_106832991635_100000760410 [0,2,0,0,0,0|1,0,0]=3 4019 B9R0.8 CCCOC(=O)C(C)NC 34a_100102657272_100000760410 [0,2,0,0,0,0|1,0,0]=3 4020 B9R0.8 CCCOC(=O)C(C)NC 7a_106832991635_100000760410 [0,2,0,0,0,0|1,0,0]=3 4021 B9R0.8 CCCOC(=O)C(C)OC 34a_100000037348_200000210301 [0,2,0,0,0,0|1,0,0]=3 4022 B9R0.8 CCCOC(=O)C(C)OC 34a_100138415774_100000760410 [0,2,0,0,0,0|1,0,0]=3 4023 B9R0.8 CCCOC(=O)C(C)OC 7a_100000037348_200000210301 [0,2,0,0,0,0|1,0,0]=3 4024 B9R0.8 CCCOC(=O)C(C)O[13CH3] 34a_100000037348_200025704644 [0,2,0,0,0,0|1,0,0]=3 4025 B9R0.8 CCCOC(=O)C(C)O[13CH3] 7a_100000037348_200025704644 [0,2,0,0,0,0|1,0,0]=3 4026 B9R0.8 CCCOC(=O)C(C)SC 62a_100000760410_200000210301 [0,2,0,0,0,0|1,0,0]=3 4027 B9R0.8 CCCOC(=O)C(C)SC 62a_200000210301_100000760410 [0,2,0,0,0,0|1,0,0]=3 4028 B9R0.8 CCCOC(=O)C(C)S[13CH3] 62a_100000760410_200025704644 [0,2,0,0,0,0|1,0,0]=3 4029 B9R0.8 CCCOC(=O)C(C)S[13CH3] 62a_200025704644_100000760410 [0,2,0,0,0,0|1,0,0]=3 4030 B9R0.8 CCCOC(C)C(C)CC 7a_100011215189_100000210303 [0,2,0,0,0,0|1,0,1]=4 4031 B9R0.8 CCN(C)C(=O)CCC#N 11a_100000225621_100011934036 [0,2,0,0,0,0|1,0,1]=4 4032 B9R0.8 CCN(C)C(=O)CCC#N 1626a_100000225621_100011934036 [0,2,0,0,0,0|1,0,1]=4 4033 B9R0.8 CCN(C)C(=O)CCC#N 240690a_100000225621_100011934036 [0,2,0,0,0,0|1,0,1]=4 4034 B9R0.8 CCN(C)C(=O)CCC#N 527a_100000225621_100011934036 [0,2,0,0,0,0|1,0,1]=4 4035 B9R0.8 CCN(C)C(=O)CCOC 11a_100000225621_100000749529 [0,2,0,0,0,0|1,0,0]=3 4036 B9R0.8 CCN(C)C(=O)CCOC 1626a_100000225621_100000749529 [0,2,0,0,0,0|1,0,0]=3 4037 B9R0.8 CCN(C)C(=O)CCOC 240690a_100000225621_100000749529 [0,2,0,0,0,0|1,0,0]=3 4038 B9R0.8 CCN(C)C(=O)CCOC 527a_100000225621_100000749529 [0,2,0,0,0,0|1,0,0]=3 4039 B9R0.8 CCN(C)C(=O)CCSC 11a_100000225621_100000174002 [0,2,0,0,0,0|1,0,0]=3 4040 B9R0.8 CCN(C)C(=O)CCSC 1626a_100000225621_100000174002 [0,2,0,0,0,0|1,0,0]=3 4041 B9R0.8 CCN(C)C(=O)CCSC 240690a_100000225621_100000174002 [0,2,0,0,0,0|1,0,0]=3 4042 B9R0.8 CCN(C)C(=O)CCSC 527a_100000225621_100000174002 [0,2,0,0,0,0|1,0,0]=3 4043 B9R0.8 CCN(C)C(=O)CSCF 62a_100000738999_100015361967 [0,2,0,0,0,0|2,0,0]=4 4044 B9R0.8 CCN(C)C(=O)CSCF 62a_100015361967_100000738999 [0,2,0,0,0,0|2,0,0]=4 4045 B9R0.8 CCN(C)C(=O)NCCF 273464a_100000724931_100000225621 [0,2,0,0,0,0|2,0,0]=4 4046 B9R0.8 CCN(C)C(=O)NCCO 273464a_100000210304_100000225621 [0,2,0,0,0,0|2,0,0]=4 4047 B9R0.8 CCNCC(=O)N(C)CC 2230a_100015525214_100000738999 [0,2,0,0,0,0|1,0,0]=3 4048 B9R0.8 CCNCC(=O)N(C)OC 2230a_100015207273_100000210202 [0,2,0,0,0,0|2,0,0]=4 4049 B9R0.8 CCNCC(=O)N(C)OC 2230a_100015525214_100000764215 [0,2,0,0,0,0|2,0,0]=4 4050 B9R0.8 CCNN=C(C)C(C)CC 4a_100000756455_100000210599 [0,2,0,0,0,0|2,0,0]=4 4051 B9R0.8 CCNNC(=O)C(C)CC 22a_100000756455_100011192722 [0,2,0,0,0,0|1,0,0]=3 4052 B9R0.8 CCNNC(=O)C(C)OC 22a_100000756455_100000743197 [0,2,0,0,0,0|2,0,0]=4 4053 B9R0.8 CCNNC(=O)C(C)SC 22a_100000756455_100000149566 [0,2,0,0,0,0|2,0,0]=4 4054 B9R0.8 CCNNC(=O)C(O)CC 22a_100000756455_100011196387 [0,2,0,0,0,0|1,0,0]=3 4055 B9R0.8 CCNNC(=O)C(O)CO 22a_100000756455_100011215603 [0,2,0,0,0,0|2,0,0]=4 4056 B9R0.8 CCOCC(=O)C(=O)OC 34a_100121572206_100011610305 [0,2,0,0,0,0|1,0,1]=4 4057 B9R0.8 CCOCC(=O)C(C)C#N 1458a_100000211967_100000703298 [0,2,0,0,0,0|1,0,1]=4 4058 B9R0.8 CCOCC(=O)C(C)CC 1458a_100000211967_100000758301 [0,2,0,0,0,0|0,0,0]=2 4059 B9R0.8 CCOCC(=O)N(C)CC 11a_100000225621_100000211967 [0,2,0,0,0,0|1,0,0]=3 4060 B9R0.8 CCOCC(=O)N(C)CC 1626a_100000225621_100000211967 [0,2,0,0,0,0|1,0,0]=3 4061 B9R0.8 CCOCC(=O)N(C)CC 240690a_100000225621_100000211967 [0,2,0,0,0,0|1,0,0]=3 4062 B9R0.8 CCOCC(=O)N(C)CC 34a_100121572206_100000738999 [0,2,0,0,0,0|1,0,0]=3 4063 B9R0.8 CCOCC(=O)N(C)CC 527a_100000225621_100000211967 [0,2,0,0,0,0|1,0,0]=3 4064 B9R0.8 CCOCN(C)C(C)CC 269982a_100000741768_100000739092 [0,2,0,0,0,0|2,0,0]=4 4065 B9R0.8 CCSCC(=O)C(=O)OC 62a_100000210202_100011610305 [0,2,0,0,0,0|2,0,0]=4 4066 B9R0.8 CCSCC(=O)C(=O)OC 62a_100011610305_100000210202 [0,2,0,0,0,0|2,0,0]=4 4067 B9R0.8 CCSCC(=O)C(C)CC 1458a_100000230394_100000758301 [0,2,0,0,0,0|0,1,0]=3 4068 B9R0.8 CCSCC(=O)N(C)CC 11a_100000225621_100000230394 [0,2,0,0,0,0|1,0,0]=3 4069 B9R0.8 CCSCC(=O)N(C)CC 1626a_100000225621_100000230394 [0,2,0,0,0,0|1,0,0]=3 4070 B9R0.8 CCSCC(=O)N(C)CC 240690a_100000225621_100000230394 [0,2,0,0,0,0|1,0,0]=3 4071 B9R0.8 CCSCC(=O)N(C)CC 527a_100000225621_100000230394 [0,2,0,0,0,0|1,0,0]=3 4072 B9R0.8 CCSCC(=O)N(C)CC 62a_100000210202_100000738999 [0,2,0,0,0,0|1,0,0]=3 4073 B9R0.8 CCSCC(=O)N(C)CC 62a_100000738999_100000210202 [0,2,0,0,0,0|1,0,0]=3 4074 B9R0.8 CCSCC(=O)N(C)OC 62a_100000210202_100000764215 [0,2,0,0,0,0|2,0,0]=4 4075 B9R0.8 CCSCC(=O)N(C)OC 62a_100000764215_100000210202 [0,2,0,0,0,0|2,0,0]=4 4076 B9R0.8 CNC(=O)C(=O)CCCF 1458a_100011218921_100011934791 [0,2,0,0,0,0|2,0,0]=4 4077 B9R0.8 CNC(=O)C(=O)CCCO 1458a_100011218921_100011215043 [0,2,0,0,0,0|2,0,0]=4 4078 B9R0.8 CNC(=O)C(=O)CCOC 1458a_100011218921_100000233755 [0,2,0,0,0,0|2,0,0]=4 4079 B9R0.8 CNC(=O)C(=O)CCSC 1458a_100011218921_100000751147 [0,2,0,0,0,0|2,0,0]=4 4080 B9R0.8 COC(C)C(=O)CCCF 1458a_100000743197_100011934791 [0,2,0,0,0,0|2,0,0]=4 4081 B9R0.8 COC(C)C(=O)CCCO 1458a_100000743197_100011215043 [0,2,0,0,0,0|2,0,0]=4 4082 B9R0.8 COC(C)C(=O)CCSC 1458a_100000743197_100000751147 [0,2,0,0,0,0|2,0,0]=4 4083 B9R0.8 COC(C)C(=O)NCCF 11a_100000724931_100000743197 [0,2,0,0,0,0|2,0,0]=4 4084 B9R0.8 COC(C)C(=O)NCCF 1626a_100000724931_100000743197 [0,2,0,0,0,0|2,0,0]=4 4085 B9R0.8 COC(C)C(=O)NCCF 240690a_100000724931_100000743197 [0,2,0,0,0,0|2,0,0]=4 4086 B9R0.8 COC(C)C(=O)NCCF 527a_100000724931_100000743197 [0,2,0,0,0,0|2,0,0]=4 4087 B9R0.8 COC(C)C(=O)NCCO 240690a_100000210304_100000743197 [0,2,0,0,0,0|2,0,0]=4 4088 B9R0.8 COC(C)C(=O)NCCO 527a_100000210304_100000743197 [0,2,0,0,0,0|2,0,0]=4 4089 B9R0.8 COCCC(=O)C(C)OC 1458a_100000743197_100000233755 [0,2,0,0,0,0|2,0,0]=4 4090 B9R0.8 COCCC(=O)C(C)SC 1458a_100000149566_100000233755 [0,2,0,0,0,0|2,0,0]=4 4091 B9R0.8 COCCC(=O)C(O)CO 1458a_100011215603_100000233755 [0,2,0,0,0,0|2,0,0]=4 4092 B9R0.8 CSC(C)C(=O)CCCF 1458a_100000149566_100011934791 [0,2,0,0,0,0|2,0,0]=4 4093 B9R0.8 CSC(C)C(=O)CCCO 1458a_100000149566_100011215043 [0,2,0,0,0,0|2,0,0]=4 4094 B9R0.8 CSC(C)C(=O)NCCF 11a_100000724931_100000149566 [0,2,0,0,0,0|2,0,0]=4 4095 B9R0.8 CSC(C)C(=O)NCCF 1626a_100000724931_100000149566 [0,2,0,0,0,0|2,0,0]=4 4096 B9R0.8 CSC(C)C(=O)NCCF 240690a_100000724931_100000149566 [0,2,0,0,0,0|2,0,0]=4 4097 B9R0.8 CSC(C)C(=O)NCCF 527a_100000724931_100000149566 [0,2,0,0,0,0|2,0,0]=4 4098 B9R0.8 CSC(C)C(=O)NCCO 240690a_100000210304_100000149566 [0,2,0,0,0,0|2,0,0]=4 4099 B9R0.8 CSC(C)C(=O)NCCO 527a_100000210304_100000149566 [0,2,0,0,0,0|2,0,0]=4 4100 B9R0.8 CSCCC(=O)C(C)SC 1458a_100000149566_100000751147 [0,2,0,0,0,0|2,0,0]=4 4101 B9R0.8 CSCCC(=O)C(O)CO 1458a_100011215603_100000751147 [0,2,0,0,0,0|2,0,0]=4 4102 B9R0.8 O=C(CCCF)C(O)CO 1458a_100011215603_100011934791 [0,2,0,0,0,0|2,0,0]=4 4103 B9R0.8 O=C(CCCO)C(O)CO 1458a_100011215603_100011215043 [0,2,0,0,0,0|2,0,0]=4 4104 B9R0.8 O=C(NCCF)C(O)CO 240690a_100000724931_100011215603 [0,2,0,0,0,0|2,0,0]=4 4105 B9R0.8 O=C(NCCO)C(O)CO 240690a_100000210304_100011215603 [0,2,0,0,0,0|2,0,0]=4 4106 B9R0.18 C#CCCC(=O)C#CCC 1458a_100011827653_100000753159 [0,2,0,0,0,0|1,0,1]=4 4107 B9R0.18 C#CCCC(=O)C=CCC 1458a_100000212282_100000753159 [0,2,0,0,0,0|1,0,1]=4 4108 B9R0.18 C#CCCC(=O)CCCC 1458a_100000210183_100000753159 [0,2,0,0,0,0|1,0,1]=4 4109 B9R0.18 C#CCCC(=O)CCCC 1458a_100000692101_100000210211 [0,2,0,0,0,0|1,0,1]=4 4110 B9R0.18 C#CCCC(=O)CCCF 1458a_100000692101_100011934791 [0,2,0,0,0,0|1,0,1]=4 4111 B9R0.18 C#CCCC(=O)CCCO 1458a_100000692101_100011215043 [0,2,0,0,0,0|1,0,1]=4 4112 B9R0.18 C#CCCC(=O)CCOC 1458a_100000692101_100000233755 [0,2,0,0,0,0|1,0,1]=4 4113 B9R0.18 C#CCCC(=O)CCOC 1458a_100000749529_100000753159 [0,2,0,0,0,0|1,0,1]=4 4114 B9R0.18 C#CCCC(=O)CCOC 34a_100011064465_200000210301 [0,2,0,0,0,0|1,0,1]=4 4115 B9R0.18 C#CCCC(=O)CCOC 7a_100011064465_200000210301 [0,2,0,0,0,0|1,0,1]=4 4116 B9R0.18 C#CCCC(=O)CCO[13CH3] 34a_100011064465_200025704644 [0,2,0,0,0,0|1,0,1]=4 4117 B9R0.18 C#CCCC(=O)CCO[13CH3] 7a_100011064465_200025704644 [0,2,0,0,0,0|1,0,1]=4 4118 B9R0.18 C#CCCC(=O)CCSC 1458a_100000174002_100000753159 [0,2,0,0,0,0|1,0,1]=4 4119 B9R0.18 C#CCCC(=O)CCSC 1458a_100000692101_100000751147 [0,2,0,0,0,0|1,0,1]=4 4120 B9R0.18 C#CCCC(=O)COCC 1458a_100000211967_100000753159 [0,2,0,0,0,0|0,0,1]=3 4121 B9R0.18 C#CCCC(=O)CSCC 1458a_100000230394_100000753159 [0,2,0,0,0,0|0,1,1]=4 4122 B9R0.18 C#CCCC(=O)NCCC 11a_100020643023_100000692101 [0,2,0,0,0,0|1,0,1]=4 4123 B9R0.18 C#CCCC(=O)NCCC 1626a_100020643023_100000692101 [0,2,0,0,0,0|1,0,1]=4 4124 B9R0.18 C#CCCC(=O)NCCC 240690a_100020643023_100000692101 [0,2,0,0,0,0|1,0,1]=4 4125 B9R0.18 C#CCCC(=O)NCCC 527a_100020643023_100000692101 [0,2,0,0,0,0|1,0,1]=4 4126 B9R0.18 C#CCCC(=O)NCCF 11a_100000724931_100000692101 [0,2,0,0,0,0|1,0,1]=4 4127 B9R0.18 C#CCCC(=O)NCCF 1626a_100000724931_100000692101 [0,2,0,0,0,0|1,0,1]=4 4128 B9R0.18 C#CCCC(=O)NCCF 240690a_100000724931_100000692101 [0,2,0,0,0,0|1,0,1]=4 4129 B9R0.18 C#CCCC(=O)NCCF 527a_100000724931_100000692101 [0,2,0,0,0,0|1,0,1]=4 4130 B9R0.18 C#CCCC(=O)NCCO 240690a_100000210304_100000692101 [0,2,0,0,0,0|1,0,1]=4 4131 B9R0.18 C#CCCC(=O)NCCO 527a_100000210304_100000692101 [0,2,0,0,0,0|1,0,1]=4 4132 B9R0.18 C#CCCC(=O)NNCC 22a_100000756455_100000692101 [0,2,0,0,0,0|1,0,1]=4 4133 B9R0.18 C#CCNC(=O)CCCC 11a_100000212058_100000210183 [0,2,0,0,0,0|1,0,1]=4 4134 B9R0.18 C#CCNC(=O)CCCC 1626a_100000212058_100000210183 [0,2,0,0,0,0|1,0,1]=4 4135 B9R0.18 C#CCNC(=O)CCCC 240690a_100000212058_100000210183 [0,2,0,0,0,0|1,0,1]=4 4136 B9R0.18 C#CCNC(=O)CCCC 527a_100000212058_100000210183 [0,2,0,0,0,0|1,0,1]=4 4137 B9R0.18 C#CCNC(=O)CCOC 11a_100000212058_100000749529 [0,2,0,0,0,0|1,0,1]=4 4138 B9R0.18 C#CCNC(=O)CCOC 1626a_100000212058_100000749529 [0,2,0,0,0,0|1,0,1]=4 4139 B9R0.18 C#CCNC(=O)CCOC 240690a_100000212058_100000749529 [0,2,0,0,0,0|1,0,1]=4 4140 B9R0.18 C#CCNC(=O)CCOC 527a_100000212058_100000749529 [0,2,0,0,0,0|1,0,1]=4 4141 B9R0.18 C#CCNC(=O)CCSC 11a_100000212058_100000174002 [0,2,0,0,0,0|1,0,1]=4 4142 B9R0.18 C#CCNC(=O)CCSC 1626a_100000212058_100000174002 [0,2,0,0,0,0|1,0,1]=4 4143 B9R0.18 C#CCNC(=O)CCSC 240690a_100000212058_100000174002 [0,2,0,0,0,0|1,0,1]=4 4144 B9R0.18 C#CCNC(=O)CCSC 527a_100000212058_100000174002 [0,2,0,0,0,0|1,0,1]=4 4145 B9R0.18 C#CCNC(=O)CNCC 2230a_100000747989_100000210202 [0,2,0,0,0,0|1,0,1]=4 4146 B9R0.18 C#CCNC(=O)CNCC 34a_100000747989_100000210202 [0,2,0,0,0,0|1,0,1]=4 4147 B9R0.18 C#CCNC(=O)COCC 11a_100000212058_100000211967 [0,2,0,0,0,0|0,0,2]=4 4148 B9R0.18 C#CCNC(=O)COCC 1626a_100000212058_100000211967 [0,2,0,0,0,0|0,0,2]=4 4149 B9R0.18 C#CCNC(=O)COCC 240690a_100000212058_100000211967 [0,2,0,0,0,0|0,0,2]=4 4150 B9R0.18 C#CCNC(=O)COCC 527a_100000212058_100000211967 [0,2,0,0,0,0|0,0,2]=4 4151 B9R0.18 C#CCNC(=O)CSCC 11a_100000212058_100000230394 [0,2,0,0,0,0|1,0,1]=4 4152 B9R0.18 C#CCNC(=O)CSCC 1626a_100000212058_100000230394 [0,2,0,0,0,0|1,0,1]=4 4153 B9R0.18 C#CCNC(=O)CSCC 240690a_100000212058_100000230394 [0,2,0,0,0,0|1,0,1]=4 4154 B9R0.18 C#CCNC(=O)CSCC 527a_100000212058_100000230394 [0,2,0,0,0,0|1,0,1]=4 4155 B9R0.18 C#CCNC(=O)NCCC 2708a_100000212058_100020643023 [0,2,0,0,0,0|1,0,1]=4 4156 B9R0.18 C#CCNC(=O)NCCC 2708a_100020643023_100000212058 [0,2,0,0,0,0|1,0,1]=4 4157 B9R0.18 C#CCNC(=O)NCCC 273464a_100000212058_100020643023 [0,2,0,0,0,0|1,0,1]=4 4158 B9R0.18 C#CCNC(=O)NCCC 273464a_100020643023_100000212058 [0,2,0,0,0,0|1,0,1]=4 4159 B9R0.18 C#CCNC(=O)NCCC 512a_100000212058_100020643023 [0,2,0,0,0,0|1,0,1]=4 4160 B9R0.18 C#CCNC(=O)NCCC 512a_100020643023_100000212058 [0,2,0,0,0,0|1,0,1]=4 4161 B9R0.18 C/C=C/CC(=O)C#CCC 1458a_100011827653_100102629194 [0,2,0,0,0,0|1,0,1]=4 4162 B9R0.18 C/C=C/CC(=O)C=CCC 1458a_100000212282_100102629194 [0,2,0,0,0,0|1,0,1]=4 4163 B9R0.18 C/C=C/CC(=O)CCCC 1458a_100000210183_100102629194 [0,2,0,0,0,0|1,0,1]=4 4164 B9R0.18 C/C=C/CC(=O)CCOC 1458a_100000749529_100102629194 [0,2,0,0,0,0|1,0,1]=4 4165 B9R0.18 C/C=C/CC(=O)CCSC 1458a_100000174002_100102629194 [0,2,0,0,0,0|1,0,1]=4 4166 B9R0.18 C/C=C/CC(=O)COCC 1458a_100000211967_100102629194 [0,2,0,0,0,0|0,0,1]=3 4167 B9R0.18 C/C=C/CC(=O)CSCC 1458a_100000230394_100102629194 [0,2,0,0,0,0|0,1,1]=4 4168 B9R0.18 C=C(COCC)OCOC 34a_100121572206_100000042856 [0,2,0,0,0,0|1,0,0]=3 4169 B9R0.18 C=C(CSCC)OCOC 62a_100000042856_100000210202 [0,2,0,0,0,0|1,0,0]=3 4170 B9R0.18 C=C(CSCC)OCOC 62a_100000210202_100000042856 [0,2,0,0,0,0|1,0,0]=3 4171 B9R0.18 C=C(CSCF)OCOC 62a_100000042856_100015361967 [0,2,0,0,0,0|2,0,0]=4 4172 B9R0.18 C=C(CSCF)OCOC 62a_100015361967_100000042856 [0,2,0,0,0,0|2,0,0]=4 4173 B9R0.18 C=CCCC(=O)C#CCC 1458a_100011827653_100000754431 [0,2,0,0,0,0|1,0,1]=4 4174 B9R0.18 C=CCCC(=O)C=CCC 1458a_100000212282_100000754431 [0,2,0,0,0,0|1,0,1]=4 4175 B9R0.18 C=CCCC(=O)CCCC 1458a_100000210183_100000754431 [0,2,0,0,0,0|1,0,1]=4 4176 B9R0.18 C=CCCC(=O)CCCC 1458a_100000749702_100000210211 [0,2,0,0,0,0|1,0,1]=4 4177 B9R0.18 C=CCCC(=O)CCCF 1458a_100000749702_100011934791 [0,2,0,0,0,0|1,0,1]=4 4178 B9R0.18 C=CCCC(=O)CCCO 1458a_100000749702_100011215043 [0,2,0,0,0,0|1,0,1]=4 4179 B9R0.18 C=CCCC(=O)CCOC 1458a_100000749529_100000754431 [0,2,0,0,0,0|1,0,1]=4 4180 B9R0.18 C=CCCC(=O)CCOC 1458a_100000749702_100000233755 [0,2,0,0,0,0|1,0,1]=4 4181 B9R0.18 C=CCCC(=O)CCSC 1458a_100000174002_100000754431 [0,2,0,0,0,0|1,0,1]=4 4182 B9R0.18 C=CCCC(=O)CCSC 1458a_100000749702_100000751147 [0,2,0,0,0,0|1,0,1]=4 4183 B9R0.18 C=CCCC(=O)COCC 1458a_100000211967_100000754431 [0,2,0,0,0,0|0,0,1]=3 4184 B9R0.18 C=CCCC(=O)CSCC 1458a_100000230394_100000754431 [0,2,0,0,0,0|0,1,1]=4 4185 B9R0.18 C=CCCC(=O)NCCC 11a_100020643023_100000749702 [0,2,0,0,0,0|1,0,1]=4 4186 B9R0.18 C=CCCC(=O)NCCC 1626a_100020643023_100000749702 [0,2,0,0,0,0|1,0,1]=4 4187 B9R0.18 C=CCCC(=O)NCCC 240690a_100020643023_100000749702 [0,2,0,0,0,0|1,0,1]=4 4188 B9R0.18 C=CCCC(=O)NCCC 527a_100020643023_100000749702 [0,2,0,0,0,0|1,0,1]=4 4189 B9R0.18 C=CCCC(=O)NCCF 11a_100000724931_100000749702 [0,2,0,0,0,0|1,0,1]=4 4190 B9R0.18 C=CCCC(=O)NCCF 1626a_100000724931_100000749702 [0,2,0,0,0,0|1,0,1]=4 4191 B9R0.18 C=CCCC(=O)NCCF 240690a_100000724931_100000749702 [0,2,0,0,0,0|1,0,1]=4 4192 B9R0.18 C=CCCC(=O)NCCF 527a_100000724931_100000749702 [0,2,0,0,0,0|1,0,1]=4 4193 B9R0.18 C=CCCC(=O)NCCO 240690a_100000210304_100000749702 [0,2,0,0,0,0|1,0,1]=4 4194 B9R0.18 C=CCCC(=O)NCCO 527a_100000210304_100000749702 [0,2,0,0,0,0|1,0,1]=4 4195 B9R0.18 C=CCCC(=O)NNCC 22a_100000756455_100000749702 [0,2,0,0,0,0|1,0,1]=4 4196 B9R0.18 C=CCNC(=O)CCCC 1626a_100020586998_100000210183 [0,2,0,0,0,0|1,0,1]=4 4197 B9R0.18 C=CCNC(=O)CCCC 240690a_100020586998_100000210183 [0,2,0,0,0,0|1,0,1]=4 4198 B9R0.18 C=CCNC(=O)CCCC 527a_100020586998_100000210183 [0,2,0,0,0,0|1,0,1]=4 4199 B9R0.18 C=CCNC(=O)CCNC 2230a_106832991635_100011222895 [0,2,0,0,0,0|1,0,1]=4 4200 B9R0.18 C=CCNC(=O)CCNC 7a_106832991635_100011222895 [0,2,0,0,0,0|1,0,1]=4 4201 B9R0.18 C=CCNC(=O)CCOC 1626a_100020586998_100000749529 [0,2,0,0,0,0|1,0,1]=4 4202 B9R0.18 C=CCNC(=O)CCOC 240690a_100020586998_100000749529 [0,2,0,0,0,0|1,0,1]=4 4203 B9R0.18 C=CCNC(=O)CCOC 527a_100020586998_100000749529 [0,2,0,0,0,0|1,0,1]=4 4204 B9R0.18 C=CCNC(=O)CCSC 1626a_100020586998_100000174002 [0,2,0,0,0,0|1,0,1]=4 4205 B9R0.18 C=CCNC(=O)CCSC 240690a_100020586998_100000174002 [0,2,0,0,0,0|1,0,1]=4 4206 B9R0.18 C=CCNC(=O)CCSC 527a_100020586998_100000174002 [0,2,0,0,0,0|1,0,1]=4 4207 B9R0.18 C=CCNC(=O)CCSC 62a_100011222895_200000210301 [0,2,0,0,0,0|1,0,1]=4 4208 B9R0.18 C=CCNC(=O)CCSC 62a_200000210301_100011222895 [0,2,0,0,0,0|1,0,1]=4 4209 B9R0.18 C=CCNC(=O)CCS[13CH3] 62a_100011222895_200025704644 [0,2,0,0,0,0|1,0,1]=4 4210 B9R0.18 C=CCNC(=O)CCS[13CH3] 62a_200025704644_100011222895 [0,2,0,0,0,0|1,0,1]=4 4211 B9R0.18 C=CCNC(=O)CNCC 2230a_100015525214_100000183597 [0,2,0,0,0,0|1,0,1]=4 4212 B9R0.18 C=CCNC(=O)COCC 1626a_100020586998_100000211967 [0,2,0,0,0,0|0,0,2]=4 4213 B9R0.18 C=CCNC(=O)COCC 240690a_100020586998_100000211967 [0,2,0,0,0,0|0,0,2]=4 4214 B9R0.18 C=CCNC(=O)COCC 527a_100020586998_100000211967 [0,2,0,0,0,0|0,0,2]=4 4215 B9R0.18 C=CCNC(=O)CSCC 1626a_100020586998_100000230394 [0,2,0,0,0,0|1,0,1]=4 4216 B9R0.18 C=CCNC(=O)CSCC 240690a_100020586998_100000230394 [0,2,0,0,0,0|1,0,1]=4 4217 B9R0.18 C=CCNC(=O)CSCC 527a_100020586998_100000230394 [0,2,0,0,0,0|1,0,1]=4 4218 B9R0.18 C=CCNC(=O)CSCC 62a_100000183597_100000210202 [0,2,0,0,0,0|1,0,1]=4 4219 B9R0.18 C=CCNC(=O)CSCC 62a_100000210202_100000183597 [0,2,0,0,0,0|1,0,1]=4 4220 B9R0.18 C=CCNC(=O)NCCC 2708a_100020643023_100020586998 [0,2,0,0,0,0|1,0,1]=4 4221 B9R0.18 C=CCNC(=O)NCCC 273464a_100020586998_100020643023 [0,2,0,0,0,0|1,0,1]=4 4222 B9R0.18 C=CCNC(=O)NCCC 273464a_100020643023_100020586998 [0,2,0,0,0,0|1,0,1]=4 4223 B9R0.18 C=CCNC(=O)NCCC 512a_100020586998_100020643023 [0,2,0,0,0,0|1,0,1]=4 4224 B9R0.18 C=CCNC(=O)NCCC 512a_100020643023_100020586998 [0,2,0,0,0,0|1,0,1]=4 4225 B9R0.18 C=CCOC(=O)CNCC 2230a_100015525214_100000033060 [0,2,0,0,0,0|0,0,1]=3 4226 B9R0.18 C=CCOC(=O)COCC 34a_100121572206_100000033060 [0,2,0,0,0,0|0,0,1]=3 4227 B9R0.18 C=CCOC(=O)CSCC 62a_100000033060_100000210202 [0,2,0,0,0,0|0,0,1]=3 4228 B9R0.18 C=CCOC(=O)CSCC 62a_100000210202_100000033060 [0,2,0,0,0,0|0,0,1]=3 4229 B9R0.18 C=CCOC(=O)CSCF 62a_100000033060_100015361967 [0,2,0,0,0,0|1,0,1]=4 4230 B9R0.18 C=CCOC(=O)CSCF 62a_100015361967_100000033060 [0,2,0,0,0,0|1,0,1]=4 4231 B9R0.18 CC#CCC(=O)C#CCC 1458a_100011827653_100000748600 [0,2,0,0,0,0|1,0,1]=4 4232 B9R0.18 CC#CCC(=O)C=CCC 1458a_100000212282_100000748600 [0,2,0,0,0,0|1,0,1]=4 4233 B9R0.18 CC#CCC(=O)CCCC 1458a_100000210183_100000748600 [0,2,0,0,0,0|1,0,1]=4 4234 B9R0.18 CC#CCC(=O)CCOC 1458a_100000749529_100000748600 [0,2,0,0,0,0|1,0,1]=4 4235 B9R0.18 CC#CCC(=O)CCSC 1458a_100000174002_100000748600 [0,2,0,0,0,0|1,0,1]=4 4236 B9R0.18 CC#CCC(=O)COCC 1458a_100000211967_100000748600 [0,2,0,0,0,0|0,0,1]=3 4237 B9R0.18 CC#CCC(=O)CSCC 1458a_100000230394_100000748600 [0,2,0,0,0,0|0,1,1]=4 4238 B9R0.18 CC(CCCCl)OCCF 34a_200000718107_100011217306 [0,2,0,0,0,0|1,0,1]=4 4239 B9R0.18 CC(CCCCl)OCCF 7a_200000718107_100011217306 [0,2,0,0,0,0|1,0,1]=4 4240 B9R0.18 CC(CCCCl)OCCO 34a_200000718107_100000211926 [0,2,0,0,0,0|1,0,1]=4 4241 B9R0.18 CC(CCCCl)OCCO 7a_200000718107_100000211926 [0,2,0,0,0,0|1,0,1]=4 4242 B9R0.18 CC=CCC(=O)C#CCC 1458a_100011827653_100000070051 [0,2,0,0,0,0|1,0,1]=4 4243 B9R0.18 CC=CCC(=O)C=CCC 1458a_100000212282_100000070051 [0,2,0,0,0,0|1,0,1]=4 4244 B9R0.18 CC=CCC(=O)CCCC 1458a_100000210183_100000070051 [0,2,0,0,0,0|1,0,1]=4 4245 B9R0.18 CC=CCC(=O)CCCC 1458a_100121576822_100000210211 [0,2,0,0,0,0|1,0,1]=4 4246 B9R0.18 CC=CCC(=O)CCCF 1458a_100121576822_100011934791 [0,2,0,0,0,0|1,0,1]=4 4247 B9R0.18 CC=CCC(=O)CCCO 1458a_100121576822_100011215043 [0,2,0,0,0,0|1,0,1]=4 4248 B9R0.18 CC=CCC(=O)CCOC 1458a_100000749529_100000070051 [0,2,0,0,0,0|1,0,1]=4 4249 B9R0.18 CC=CCC(=O)CCOC 1458a_100121576822_100000233755 [0,2,0,0,0,0|1,0,1]=4 4250 B9R0.18 CC=CCC(=O)CCSC 1458a_100000174002_100000070051 [0,2,0,0,0,0|1,0,1]=4 4251 B9R0.18 CC=CCC(=O)CCSC 1458a_100121576822_100000751147 [0,2,0,0,0,0|1,0,1]=4 4252 B9R0.18 CC=CCC(=O)COCC 1458a_100000211967_100000070051 [0,2,0,0,0,0|0,0,1]=3 4253 B9R0.18 CC=CCC(=O)CSCC 1458a_100000230394_100000070051 [0,2,0,0,0,0|0,1,1]=4 4254 B9R0.18 CC=CCC(=O)NCCC 11a_100020643023_100121576822 [0,2,0,0,0,0|1,0,1]=4 4255 B9R0.18 CC=CCC(=O)NCCC 1626a_100020643023_100121576822 [0,2,0,0,0,0|1,0,1]=4 4256 B9R0.18 CC=CCC(=O)NCCC 240690a_100020643023_100121576822 [0,2,0,0,0,0|1,0,1]=4 4257 B9R0.18 CC=CCC(=O)NCCC 527a_100020643023_100121576822 [0,2,0,0,0,0|1,0,1]=4 4258 B9R0.18 CC=CCC(=O)NCCF 11a_100000724931_100121576822 [0,2,0,0,0,0|1,0,1]=4 4259 B9R0.18 CC=CCC(=O)NCCF 1626a_100000724931_100121576822 [0,2,0,0,0,0|1,0,1]=4 4260 B9R0.18 CC=CCC(=O)NCCF 240690a_100000724931_100121576822 [0,2,0,0,0,0|1,0,1]=4 4261 B9R0.18 CC=CCC(=O)NCCF 527a_100000724931_100121576822 [0,2,0,0,0,0|1,0,1]=4 4262 B9R0.18 CC=CCC(=O)NCCO 240690a_100000210304_100121576822 [0,2,0,0,0,0|1,0,1]=4 4263 B9R0.18 CC=CCC(=O)NCCO 527a_100000210304_100121576822 [0,2,0,0,0,0|1,0,1]=4 4264 B9R0.18 CC=CCC(=O)NNCC 22a_100000756455_100121576822 [0,2,0,0,0,0|1,0,1]=4 4265 B9R0.18 CC=NNC(=O)CCCC 4a_100000189769_200000210099 [0,2,0,0,0,0|1,0,1]=4 4266 B9R0.18 CC=NNC(=O)CCOC 4a_100011260505_200000210099 [0,2,0,0,0,0|1,0,1]=4 4267 B9R0.18 CC=NNC(=O)COCC 4a_100000216846_200000210099 [0,2,0,0,0,0|1,0,1]=4 4268 B9R0.18 CCC#CC(=O)CCC#N 1458a_100011827653_100011215226 [0,2,0,0,0,0|1,0,1]=4 4269 B9R0.18 CCC#CC(=O)CCCC 1458a_100011827653_100000210211 [0,2,0,0,0,0|1,0,0]=3 4270 B9R0.18 CCC#CC(=O)CCCF 1458a_100011827653_100011934791 [0,2,0,0,0,0|1,0,0]=3 4271 B9R0.18 CCC#CC(=O)CCCO 1458a_100011827653_100011215043 [0,2,0,0,0,0|1,0,0]=3 4272 B9R0.18 CCC#CC(=O)CCOC 1458a_100011827653_100000233755 [0,2,0,0,0,0|1,0,0]=3 4273 B9R0.18 CCC#CC(=O)CCSC 1458a_100011827653_100000751147 [0,2,0,0,0,0|1,0,0]=3 4274 B9R0.18 CCC#CC(=O)NNCC 22a_100000756455_100011827653 [0,2,0,0,0,0|1,0,1]=4 4275 B9R0.18 CCC=CC(=O)CCC#N 1458a_100000212282_100011215226 [0,2,0,0,0,0|1,0,1]=4 4276 B9R0.18 CCC=CC(=O)CCCC 1458a_100000212282_100000210211 [0,2,0,0,0,0|1,0,0]=3 4277 B9R0.18 CCC=CC(=O)CCCF 1458a_100000212282_100011934791 [0,2,0,0,0,0|1,0,0]=3 4278 B9R0.18 CCC=CC(=O)CCCO 1458a_100000212282_100011215043 [0,2,0,0,0,0|1,0,0]=3 4279 B9R0.18 CCC=CC(=O)CCOC 1458a_100000212282_100000233755 [0,2,0,0,0,0|1,0,0]=3 4280 B9R0.18 CCC=CC(=O)CCSC 1458a_100000212282_100000751147 [0,2,0,0,0,0|1,0,0]=3 4281 B9R0.18 CCC=CC(=O)NCCC 11a_100020643023_100000212282 [0,2,0,0,0,0|1,0,0]=3 4282 B9R0.18 CCC=CC(=O)NCCC 1626a_100020643023_100000212282 [0,2,0,0,0,0|1,0,0]=3 4283 B9R0.18 CCC=CC(=O)NCCC 240690a_100020643023_100000212282 [0,2,0,0,0,0|1,0,0]=3 4284 B9R0.18 CCC=CC(=O)NCCF 11a_100000724931_100000212282 [0,2,0,0,0,0|1,0,1]=4 4285 B9R0.18 CCC=CC(=O)NCCF 1626a_100000724931_100000212282 [0,2,0,0,0,0|1,0,1]=4 4286 B9R0.18 CCC=CC(=O)NCCF 240690a_100000724931_100000212282 [0,2,0,0,0,0|1,0,1]=4 4287 B9R0.18 CCC=CC(=O)NCCO 240690a_100000210304_100000212282 [0,2,0,0,0,0|1,0,1]=4 4288 B9R0.18 CCC=CC(=O)NNCC 22a_100000756455_100000212282 [0,2,0,0,0,0|1,0,1]=4 4289 B9R0.18 CCCCC(=NNCC)C 4a_100000756455_100000210087 [0,2,0,0,0,0|2,0,0]=4 4290 B9R0.18 CCCCC(=O)C#CCO 1458a_100000049017_100000210211 [0,2,0,0,0,0|1,0,1]=4 4291 B9R0.18 CCCCC(=O)C=COC 1458a_100016268678_100000210211 [0,2,0,0,0,0|1,0,1]=4 4292 B9R0.18 CCCCC(=O)CCC#N 1458a_100000210183_100011215226 [0,2,0,0,0,0|1,0,1]=4 4293 B9R0.18 CCCCC(=O)CCC#N 1458a_100011934036_100000210211 [0,2,0,0,0,0|1,0,1]=4 4294 B9R0.18 CCCCC(=O)CCCC 1458a_100000210183_100000210211 [0,2,0,0,0,0|1,0,0]=3 4295 B9R0.18 CCCCC(=O)CCCF 1458a_100000210183_100011934791 [0,2,0,0,0,0|1,0,0]=3 4296 B9R0.18 CCCCC(=O)CCCO 1458a_100000210183_100011215043 [0,2,0,0,0,0|1,0,0]=3 4297 B9R0.18 CCCCC(=O)CCOC 1458a_100000210183_100000233755 [0,2,0,0,0,0|1,0,0]=3 4298 B9R0.18 CCCCC(=O)CCOC 1458a_100000749529_100000210211 [0,2,0,0,0,0|1,0,0]=3 4299 B9R0.18 CCCCC(=O)CCSC 1458a_100000174002_100000210211 [0,2,0,0,0,0|1,0,0]=3 4300 B9R0.18 CCCCC(=O)CCSC 1458a_100000210183_100000751147 [0,2,0,0,0,0|1,0,0]=3 4301 B9R0.18 CCCCC(=O)COCC 1458a_100000211967_100000210211 [0,2,0,0,0,0|0,0,0]=2 4302 B9R0.18 CCCCC(=O)CSCC 1458a_100000230394_100000210211 [0,2,0,0,0,0|0,1,0]=3 4303 B9R0.18 CCCCC(=O)NCC#N 1626a_100000734998_100000210183 [0,2,0,0,0,0|1,0,1]=4 4304 B9R0.18 CCCCC(=O)NCC#N 527a_100000734998_100000210183 [0,2,0,0,0,0|1,0,1]=4 4305 B9R0.18 CCCCC(=O)NCCC 11a_100020643023_100000210183 [0,2,0,0,0,0|1,0,0]=3 4306 B9R0.18 CCCCC(=O)NCCC 1626a_100020643023_100000210183 [0,2,0,0,0,0|1,0,0]=3 4307 B9R0.18 CCCCC(=O)NCCC 240690a_100020643023_100000210183 [0,2,0,0,0,0|1,0,0]=3 4308 B9R0.18 CCCCC(=O)NCCC 527a_100020643023_100000210183 [0,2,0,0,0,0|1,0,0]=3 4309 B9R0.18 CCCCC(=O)NCCF 11a_100000724931_100000210183 [0,2,0,0,0,0|1,0,0]=3 4310 B9R0.18 CCCCC(=O)NCCF 1626a_100000724931_100000210183 [0,2,0,0,0,0|1,0,0]=3 4311 B9R0.18 CCCCC(=O)NCCF 240690a_100000724931_100000210183 [0,2,0,0,0,0|1,0,0]=3 4312 B9R0.18 CCCCC(=O)NCCF 527a_100000724931_100000210183 [0,2,0,0,0,0|1,0,0]=3 4313 B9R0.18 CCCCC(=O)NCCO 240690a_100000210304_100000210183 [0,2,0,0,0,0|1,0,0]=3 4314 B9R0.18 CCCCC(=O)NCCO 527a_100000210304_100000210183 [0,2,0,0,0,0|1,0,0]=3 4315 B9R0.18 CCCCC(=O)NNCC 22a_100000756455_100000210183 [0,2,0,0,0,0|1,0,0]=3 4316 B9R0.18 CCCCC(C)COCC 34a_100011995851_100000210202 [0,2,0,0,0,0|1,0,1]=4 4317 B9R0.18 CCCCC(C)COCC 7a_100011995851_100000210202 [0,2,0,0,0,0|1,0,1]=4 4318 B9R0.18 CCCCC(C)OCCBr 34a_100000211926_200011215066 [0,2,0,0,0,0|1,0,1]=4 4319 B9R0.18 CCCCC(C)OCCC 34a_100000210258_200011215066 [0,2,0,0,0,0|1,0,1]=4 4320 B9R0.18 CCCCC(C)OCCC 34a_100000687866_100000210303 [0,2,0,0,0,0|1,0,1]=4 4321 B9R0.18 CCCCC(C)OCCC 7a_100000687866_100000210303 [0,2,0,0,0,0|1,0,1]=4 4322 B9R0.18 CCCCC(C)OCCF 34a_100000687866_100011217306 [0,2,0,0,0,0|1,0,1]=4 4323 B9R0.18 CCCCC(C)OCCF 7a_100000687866_100011217306 [0,2,0,0,0,0|1,0,1]=4 4324 B9R0.18 CCCCC(C)OCCN 34a_100000210304_200011215066 [0,2,0,0,0,0|1,0,1]=4 4325 B9R0.18 CCCCC(C)OCCO 34a_100000687866_100000211926 [0,2,0,0,0,0|1,0,1]=4 4326 B9R0.18 CCCCC(C)OCCO 7a_100000687866_100000211926 [0,2,0,0,0,0|1,0,1]=4 4327 B9R0.18 CCCCC(C)OCSC 34a_100000687866_100011218213 [0,2,0,0,0,0|1,0,1]=4 4328 B9R0.18 CCCCN(C)COCC 269982a_100000207549_100000739092 [0,2,0,0,0,0|2,0,0]=4 4329 B9R0.18 CCCC[C@H](N)COCC 34a_100011934283_100000210202 [0,2,0,0,0,0|1,0,1]=4 4330 B9R0.18 CCCNC(=O)C=COC 1626a_100020643023_100016268678 [0,2,0,0,0,0|1,0,1]=4 4331 B9R0.18 CCCNC(=O)C=COC 240690a_100020643023_100016268678 [0,2,0,0,0,0|1,0,1]=4 4332 B9R0.18 CCCNC(=O)CCC#N 11a_100020643023_100011934036 [0,2,0,0,0,0|1,0,1]=4 4333 B9R0.18 CCCNC(=O)CCC#N 1626a_100020643023_100011934036 [0,2,0,0,0,0|1,0,1]=4 4334 B9R0.18 CCCNC(=O)CCC#N 240690a_100020643023_100011934036 [0,2,0,0,0,0|1,0,1]=4 4335 B9R0.18 CCCNC(=O)CCC#N 527a_100020643023_100011934036 [0,2,0,0,0,0|1,0,1]=4 4336 B9R0.18 CCCNC(=O)CCOC 11a_100020643023_100000749529 [0,2,0,0,0,0|1,0,0]=3 4337 B9R0.18 CCCNC(=O)CCOC 1626a_100020643023_100000749529 [0,2,0,0,0,0|1,0,0]=3 4338 B9R0.18 CCCNC(=O)CCOC 240690a_100020643023_100000749529 [0,2,0,0,0,0|1,0,0]=3 4339 B9R0.18 CCCNC(=O)CCOC 527a_100020643023_100000749529 [0,2,0,0,0,0|1,0,0]=3 4340 B9R0.18 CCCNC(=O)CCSC 11a_100020643023_100000174002 [0,2,0,0,0,0|1,0,0]=3 4341 B9R0.18 CCCNC(=O)CCSC 1626a_100020643023_100000174002 [0,2,0,0,0,0|1,0,0]=3 4342 B9R0.18 CCCNC(=O)CCSC 240690a_100020643023_100000174002 [0,2,0,0,0,0|1,0,0]=3 4343 B9R0.18 CCCNC(=O)CCSC 527a_100020643023_100000174002 [0,2,0,0,0,0|1,0,0]=3 4344 B9R0.18 CCCNC(=O)CNCC 2230a_100000174927_100000210202 [0,2,0,0,0,0|1,0,0]=3 4345 B9R0.18 CCCNC(=O)CNCC 2230a_100015525214_100000183358 [0,2,0,0,0,0|1,0,0]=3 4346 B9R0.18 CCCNC(=O)COCC 11a_100020643023_100000211967 [0,2,0,0,0,0|0,0,0]=2 4347 B9R0.18 CCCNC(=O)COCC 1626a_100020643023_100000211967 [0,2,0,0,0,0|0,0,0]=2 4348 B9R0.18 CCCNC(=O)COCC 240690a_100020643023_100000211967 [0,2,0,0,0,0|0,0,0]=2 4349 B9R0.18 CCCNC(=O)COCC 34a_100121572206_100000183358 [0,2,0,0,0,0|0,0,0]=2 4350 B9R0.18 CCCNC(=O)COCC 527a_100020643023_100000211967 [0,2,0,0,0,0|0,0,0]=2 4351 B9R0.18 CCCNC(=O)CSCC 11a_100020643023_100000230394 [0,2,0,0,0,0|0,1,0]=3 4352 B9R0.18 CCCNC(=O)CSCC 1626a_100020643023_100000230394 [0,2,0,0,0,0|0,1,0]=3 4353 B9R0.18 CCCNC(=O)CSCC 240690a_100020643023_100000230394 [0,2,0,0,0,0|0,1,0]=3 4354 B9R0.18 CCCNC(=O)CSCC 527a_100020643023_100000230394 [0,2,0,0,0,0|0,1,0]=3 4355 B9R0.18 CCCNC(=O)CSCC 62a_100000183358_100000210202 [0,2,0,0,0,0|0,1,0]=3 4356 B9R0.18 CCCNC(=O)CSCC 62a_100000210202_100000183358 [0,2,0,0,0,0|0,1,0]=3 4357 B9R0.18 CCCNC(=O)CSCF 62a_100000183358_100015361967 [0,2,0,0,0,0|1,1,0]=4 4358 B9R0.18 CCCNC(=O)CSCF 62a_100015361967_100000183358 [0,2,0,0,0,0|1,1,0]=4 4359 B9R0.18 CCCNC(=O)NCC#N 2708a_100000734998_100020643023 [0,2,0,0,0,0|1,0,1]=4 4360 B9R0.18 CCCNC(=O)NCC#N 273464a_100000734998_100020643023 [0,2,0,0,0,0|1,0,1]=4 4361 B9R0.18 CCCNC(=O)NCC#N 273464a_100020643023_100000734998 [0,2,0,0,0,0|1,0,1]=4 4362 B9R0.18 CCCNC(=O)NCC#N 512a_100000734998_100020643023 [0,2,0,0,0,0|1,0,1]=4 4363 B9R0.18 CCCNC(=O)NCC#N 512a_100020643023_100000734998 [0,2,0,0,0,0|1,0,1]=4 4364 B9R0.18 CCCNC(=O)NCCC 2708a_100020643023_100020643023 [0,2,0,0,0,0|1,0,0]=3 4365 B9R0.18 CCCNC(=O)NCCC 273464a_100020643023_100020643023 [0,2,0,0,0,0|1,0,0]=3 4366 B9R0.18 CCCNC(=O)NCCC 512a_100020643023_100020643023 [0,2,0,0,0,0|1,0,0]=3 4367 B9R0.18 CCCNC(=O)NCCF 2708a_100020643023_100000724931 [0,2,0,0,0,0|1,0,0]=3 4368 B9R0.18 CCCNC(=O)NCCF 273464a_100000724931_100020643023 [0,2,0,0,0,0|1,0,0]=3 4369 B9R0.18 CCCNC(=O)NCCF 273464a_100020643023_100000724931 [0,2,0,0,0,0|1,0,0]=3 4370 B9R0.18 CCCNC(=O)NCCF 512a_100020643023_100000724931 [0,2,0,0,0,0|1,0,0]=3 4371 B9R0.18 CCCNC(=O)NCCO 2708a_100020643023_100000210304 [0,2,0,0,0,0|1,0,0]=3 4372 B9R0.18 CCCNC(=O)NCCO 273464a_100000210304_100020643023 [0,2,0,0,0,0|1,0,0]=3 4373 B9R0.18 CCCNC(=O)NCCO 273464a_100020643023_100000210304 [0,2,0,0,0,0|1,0,0]=3 4374 B9R0.18 CCCNC(=O)NCCO 512a_100020643023_100000210304 [0,2,0,0,0,0|1,0,0]=3 4375 B9R0.18 CCCNC(=O)NNCC 273464a_100020643023_100000756455 [0,2,0,0,0,0|1,0,0]=3 4376 B9R0.18 CCCNC(=O)NNCC 512a_100000756455_100020643023 [0,2,0,0,0,0|1,0,0]=3 4377 B9R0.18 CCCNC(=O)NNCC 512a_100020643023_100000756455 [0,2,0,0,0,0|1,0,0]=3 4378 B9R0.18 CCCOC(=O)CNCC 2230a_100015525214_200011215008 [0,2,0,0,0,0|0,0,0]=2 4379 B9R0.18 CCCOC(=O)COCC 34a_100121572206_200011215008 [0,2,0,0,0,0|0,0,0]=2 4380 B9R0.18 CCCOC(=O)CSCC 62a_100000210202_200011215008 [0,2,0,0,0,0|0,0,0]=2 4381 B9R0.18 CCCOC(=O)CSCC 62a_200011215008_100000210202 [0,2,0,0,0,0|0,0,0]=2 4382 B9R0.18 CCCOC(=O)CSCF 62a_100015361967_200011215008 [0,2,0,0,0,0|1,0,0]=3 4383 B9R0.18 CCCOC(=O)CSCF 62a_200011215008_100015361967 [0,2,0,0,0,0|1,0,0]=3 4384 B9R0.18 CCCOC(=O)OCNC 34a_100102657272_200000139673 [0,2,0,0,0,0|0,0,0]=2 4385 B9R0.18 CCCOC(=O)OCNC 7a_106832991635_200000139673 [0,2,0,0,0,0|0,0,0]=2 4386 B9R0.18 CCCOC(=O)OCOC 34a_100138415774_200000139673 [0,2,0,0,0,0|0,0,0]=2 4387 B9R0.18 CCCOC(=O)OCSC 62a_200000210301_200000139673 [0,2,0,0,0,0|0,0,0]=2 4388 B9R0.18 CCCOC(=O)OCS[13CH3] 62a_200025704644_200000139673 [0,2,0,0,0,0|0,0,0]=2 4389 B9R0.18 CCCOC(C)CCCCl 34a_200000718107_100000210303 [0,2,0,0,0,0|1,0,1]=4 4390 B9R0.18 CCCOC(C)CCCCl 7a_200000718107_100000210303 [0,2,0,0,0,0|1,0,1]=4 4391 B9R0.18 CCCOC(C)CNCC 2230a_100015185124_100000210202 [0,2,0,0,0,0|1,0,1]=4 4392 B9R0.18 CCCOC(C)CNCC 34a_100015185124_100000210202 [0,2,0,0,0,0|1,0,1]=4 4393 B9R0.18 CCCOC(C)COCC 34a_100000718985_100000210303 [0,2,0,0,0,0|1,0,1]=4 4394 B9R0.18 CCCOC(C)COCC 7a_100000718985_100000210303 [0,2,0,0,0,0|1,0,1]=4 4395 B9R0.18 CCNCC(=O)NCC#N 2230a_100015525214_100000736037 [0,2,0,0,0,0|1,0,1]=4 4396 B9R0.18 CCNCC(=O)NCCF 2230a_100000725713_100000210202 [0,2,0,0,0,0|1,0,0]=3 4397 B9R0.18 CCNCC(O)COCC 2230a_102515437182_100000210202 [0,2,0,0,0,0|0,0,2]=4 4398 B9R0.18 CCNCC(O)COCC 34a_102515437182_100000210202 [0,2,0,0,0,0|0,0,2]=4 4399 B9R0.18 CCNN=C(C)CCCO 4a_100000756455_100000759063 [0,2,0,0,0,0|2,0,0]=4 4400 B9R0.18 CCNN=C(C)CCOC 4a_100000756455_100000742357 [0,2,0,0,0,0|2,0,0]=4 4401 B9R0.18 CCNN=C(C)CCSC 4a_100000756455_100011217047 [0,2,0,0,0,0|2,0,0]=4 4402 B9R0.18 CCNN=C(C)CSCC 4a_100000756455_200011216171 [0,2,0,0,0,0|2,0,0]=4 4403 B9R0.18 CCNNC(=O)CCC#N 22a_100000756455_100011934036 [0,2,0,0,0,0|1,0,1]=4 4404 B9R0.18 CCNNC(=O)CCOC 22a_100000756455_100000749529 [0,2,0,0,0,0|1,0,0]=3 4405 B9R0.18 CCNNC(=O)CCSC 22a_100000756455_100000174002 [0,2,0,0,0,0|1,0,0]=3 4406 B9R0.18 CCNNC(=O)COCC 22a_100000756455_100000211967 [0,2,0,0,0,0|1,0,0]=3 4407 B9R0.18 CCNNC(=O)CSCC 22a_100000756455_100000230394 [0,2,0,0,0,0|1,0,0]=3 4408 B9R0.18 CCNNC(=O)NCCF 273464a_100000724931_100000756455 [0,2,0,0,0,0|2,0,0]=4 4409 B9R0.18 CCNNC(=O)NCCF 512a_100000756455_100000724931 [0,2,0,0,0,0|2,0,0]=4 4410 B9R0.18 CCNNC(=O)NCCO 273464a_100000210304_100000756455 [0,2,0,0,0,0|2,0,0]=4 4411 B9R0.18 CCNNC(=O)NCCO 512a_100000756455_100000210304 [0,2,0,0,0,0|2,0,0]=4 4412 B9R0.18 CCNNC(=O)NNCC 512a_100000756455_100000756455 [0,2,0,0,0,0|2,0,0]=4 4413 B9R0.18 CCOCC(=O)CCC#N 1458a_100000211967_100011215226 [0,2,0,0,0,0|0,0,1]=3 4414 B9R0.18 CCOCC(=O)CCCF 1458a_100000211967_100011934791 [0,2,0,0,0,0|0,0,0]=2 4415 B9R0.18 CCOCC(=O)CCCO 1458a_100000211967_100011215043 [0,2,0,0,0,0|0,0,0]=2 4416 B9R0.18 CCOCC(=O)CCOC 1458a_100000211967_100000233755 [0,2,0,0,0,0|0,0,0]=2 4417 B9R0.18 CCOCC(=O)CCSC 1458a_100000211967_100000751147 [0,2,0,0,0,0|0,0,0]=2 4418 B9R0.18 CCOCC(=O)NCC#N 1626a_100000734998_100000211967 [0,2,0,0,0,0|1,0,1]=4 4419 B9R0.18 CCOCC(=O)NCC#N 527a_100000734998_100000211967 [0,2,0,0,0,0|1,0,1]=4 4420 B9R0.18 CCOCC(=O)NCCF 11a_100000724931_100000211967 [0,2,0,0,0,0|1,0,0]=3 4421 B9R0.18 CCOCC(=O)NCCF 1626a_100000724931_100000211967 [0,2,0,0,0,0|1,0,0]=3 4422 B9R0.18 CCOCC(=O)NCCF 240690a_100000724931_100000211967 [0,2,0,0,0,0|1,0,0]=3 4423 B9R0.18 CCOCC(=O)NCCF 527a_100000724931_100000211967 [0,2,0,0,0,0|1,0,0]=3 4424 B9R0.18 CCOCC(=O)NCCO 240690a_100000210304_100000211967 [0,2,0,0,0,0|1,0,0]=3 4425 B9R0.18 CCOCC(=O)NCCO 527a_100000210304_100000211967 [0,2,0,0,0,0|1,0,0]=3 4426 B9R0.18 CCOCC(C)OCCF 34a_100000718985_100011217306 [0,2,0,0,0,0|1,0,1]=4 4427 B9R0.18 CCOCC(C)OCCF 7a_100000718985_100011217306 [0,2,0,0,0,0|1,0,1]=4 4428 B9R0.18 CCOCC(C)OCCO 34a_100000718985_100000211926 [0,2,0,0,0,0|1,0,1]=4 4429 B9R0.18 CCOCC(C)OCCO 7a_100000718985_100000211926 [0,2,0,0,0,0|1,0,1]=4 4430 B9R0.18 CCOCC(C)OCSC 34a_100000718985_100011218213 [0,2,0,0,0,0|1,0,1]=4 4431 B9R0.18 CCOCN(C)CCCO 269982a_100000213112_100000739092 [0,2,0,0,0,0|2,0,0]=4 4432 B9R0.18 CCOCN(C)CCOC 269982a_100000743101_100000739092 [0,2,0,0,0,0|2,0,0]=4 4433 B9R0.18 CCOCN(C)CCSC 269982a_100000686725_100000739092 [0,2,0,0,0,0|2,0,0]=4 4434 B9R0.18 CCOC[C@@H](C)OCOC 34a_100016172286_100000210202 [0,2,0,0,0,0|1,0,1]=4 4435 B9R0.18 CCOC[C@@H](C)OCOC 7a_100016172286_100000210202 [0,2,0,0,0,0|1,0,1]=4 4436 B9R0.18 CCOC[C@@H](N)CCSC 34a_100011827619_100000210202 [0,2,0,0,0,0|1,0,1]=4 4437 B9R0.18 CCSCC(=O)CCC#N 1458a_100000230394_100011215226 [0,2,0,0,0,0|0,1,1]=4 4438 B9R0.18 CCSCC(=O)CCCF 1458a_100000230394_100011934791 [0,2,0,0,0,0|0,1,0]=3 4439 B9R0.18 CCSCC(=O)CCCO 1458a_100000230394_100011215043 [0,2,0,0,0,0|0,1,0]=3 4440 B9R0.18 CCSCC(=O)CCOC 1458a_100000230394_100000233755 [0,2,0,0,0,0|0,1,0]=3 4441 B9R0.18 CCSCC(=O)CCSC 1458a_100000230394_100000751147 [0,2,0,0,0,0|0,1,0]=3 4442 B9R0.18 CCSCC(=O)NCC#N 1626a_100000734998_100000230394 [0,2,0,0,0,0|1,0,1]=4 4443 B9R0.18 CCSCC(=O)NCC#N 527a_100000734998_100000230394 [0,2,0,0,0,0|1,0,1]=4 4444 B9R0.18 CCSCC(=O)NCC#N 62a_100000210202_100000736037 [0,2,0,0,0,0|1,0,1]=4 4445 B9R0.18 CCSCC(=O)NCC#N 62a_100000736037_100000210202 [0,2,0,0,0,0|1,0,1]=4 4446 B9R0.18 CCSCC(=O)NCCF 11a_100000724931_100000230394 [0,2,0,0,0,0|1,0,0]=3 4447 B9R0.18 CCSCC(=O)NCCF 1626a_100000724931_100000230394 [0,2,0,0,0,0|1,0,0]=3 4448 B9R0.18 CCSCC(=O)NCCF 240690a_100000724931_100000230394 [0,2,0,0,0,0|1,0,0]=3 4449 B9R0.18 CCSCC(=O)NCCF 527a_100000724931_100000230394 [0,2,0,0,0,0|1,0,0]=3 4450 B9R0.18 CCSCC(=O)NCCO 240690a_100000210304_100000230394 [0,2,0,0,0,0|1,0,0]=3 4451 B9R0.18 CCSCC(=O)NCCO 527a_100000210304_100000230394 [0,2,0,0,0,0|1,0,0]=3 4452 B9R0.18 COC=CC(=O)CCCF 1458a_100016268678_100011934791 [0,2,0,0,0,0|1,0,1]=4 4453 B9R0.18 COC=CC(=O)CCCO 1458a_100016268678_100011215043 [0,2,0,0,0,0|1,0,1]=4 4454 B9R0.18 COC=CC(=O)CCOC 1458a_100016268678_100000233755 [0,2,0,0,0,0|1,0,1]=4 4455 B9R0.18 COC=CC(=O)CCSC 1458a_100016268678_100000751147 [0,2,0,0,0,0|1,0,1]=4 4456 B9R0.18 COCCC(=O)C#CCO 1458a_100000049017_100000233755 [0,2,0,0,0,0|1,0,1]=4 4457 B9R0.18 COCCC(=O)CCC#N 1458a_100000749529_100011215226 [0,2,0,0,0,0|1,0,1]=4 4458 B9R0.18 COCCC(=O)CCC#N 1458a_100011934036_100000233755 [0,2,0,0,0,0|1,0,1]=4 4459 B9R0.18 COCCC(=O)CCCF 1458a_100000749529_100011934791 [0,2,0,0,0,0|1,0,0]=3 4460 B9R0.18 COCCC(=O)CCCO 1458a_100000749529_100011215043 [0,2,0,0,0,0|1,0,0]=3 4461 B9R0.18 COCCC(=O)CCOC 1458a_100000749529_100000233755 [0,2,0,0,0,0|1,0,0]=3 4462 B9R0.18 COCCC(=O)CCSC 1458a_100000174002_100000233755 [0,2,0,0,0,0|1,0,0]=3 4463 B9R0.18 COCCC(=O)CCSC 1458a_100000749529_100000751147 [0,2,0,0,0,0|1,0,0]=3 4464 B9R0.18 COCCC(=O)NCC#N 1626a_100000734998_100000749529 [0,2,0,0,0,0|1,0,1]=4 4465 B9R0.18 COCCC(=O)NCC#N 527a_100000734998_100000749529 [0,2,0,0,0,0|1,0,1]=4 4466 B9R0.18 COCCC(=O)NCCF 11a_100000724931_100000749529 [0,2,0,0,0,0|1,0,0]=3 4467 B9R0.18 COCCC(=O)NCCF 1626a_100000724931_100000749529 [0,2,0,0,0,0|1,0,0]=3 4468 B9R0.18 COCCC(=O)NCCF 240690a_100000724931_100000749529 [0,2,0,0,0,0|1,0,0]=3 4469 B9R0.18 COCCC(=O)NCCF 527a_100000724931_100000749529 [0,2,0,0,0,0|1,0,0]=3 4470 B9R0.18 COCCC(=O)NCCO 240690a_100000210304_100000749529 [0,2,0,0,0,0|1,0,0]=3 4471 B9R0.18 COCCC(=O)NCCO 527a_100000210304_100000749529 [0,2,0,0,0,0|1,0,0]=3 4472 B9R0.18 CSCCC(=O)C#CCO 1458a_100000049017_100000751147 [0,2,0,0,0,0|1,0,1]=4 4473 B9R0.18 CSCCC(=O)CCC#N 1458a_100000174002_100011215226 [0,2,0,0,0,0|1,0,1]=4 4474 B9R0.18 CSCCC(=O)CCC#N 1458a_100011934036_100000751147 [0,2,0,0,0,0|1,0,1]=4 4475 B9R0.18 CSCCC(=O)CCCF 1458a_100000174002_100011934791 [0,2,0,0,0,0|1,0,0]=3 4476 B9R0.18 CSCCC(=O)CCCO 1458a_100000174002_100011215043 [0,2,0,0,0,0|1,0,0]=3 4477 B9R0.18 CSCCC(=O)CCSC 1458a_100000174002_100000751147 [0,2,0,0,0,0|1,0,0]=3 4478 B9R0.18 CSCCC(=O)NCC#N 1626a_100000734998_100000174002 [0,2,0,0,0,0|1,0,1]=4 4479 B9R0.18 CSCCC(=O)NCC#N 527a_100000734998_100000174002 [0,2,0,0,0,0|1,0,1]=4 4480 B9R0.18 CSCCC(=O)NCCF 11a_100000724931_100000174002 [0,2,0,0,0,0|1,0,0]=3 4481 B9R0.18 CSCCC(=O)NCCF 1626a_100000724931_100000174002 [0,2,0,0,0,0|1,0,0]=3 4482 B9R0.18 CSCCC(=O)NCCF 240690a_100000724931_100000174002 [0,2,0,0,0,0|1,0,0]=3 4483 B9R0.18 CSCCC(=O)NCCF 527a_100000724931_100000174002 [0,2,0,0,0,0|1,0,0]=3 4484 B9R0.18 CSCCC(=O)NCCO 240690a_100000210304_100000174002 [0,2,0,0,0,0|1,0,0]=3 4485 B9R0.18 CSCCC(=O)NCCO 527a_100000210304_100000174002 [0,2,0,0,0,0|1,0,0]=3 4486 B9R0.18 CSCOC(C)CCCCl 34a_200000718107_100011218213 [0,2,0,0,0,0|1,0,1]=4 4487 B9R0.18 N#CCCC(=O)CCCF 1458a_100011934036_100011934791 [0,2,0,0,0,0|1,0,1]=4 4488 B9R0.18 N#CCCC(=O)CCCO 1458a_100011934036_100011215043 [0,2,0,0,0,0|1,0,1]=4 4489 B9R0.18 N#CCCC(=O)NCCF 11a_100000724931_100011934036 [0,2,0,0,0,0|1,0,1]=4 4490 B9R0.18 N#CCCC(=O)NCCF 1626a_100000724931_100011934036 [0,2,0,0,0,0|1,0,1]=4 4491 B9R0.18 N#CCCC(=O)NCCF 240690a_100000724931_100011934036 [0,2,0,0,0,0|1,0,1]=4 4492 B9R0.18 N#CCCC(=O)NCCF 527a_100000724931_100011934036 [0,2,0,0,0,0|1,0,1]=4 4493 B9R0.18 N#CCCC(=O)NCCO 240690a_100000210304_100011934036 [0,2,0,0,0,0|1,0,1]=4 4494 B9R0.18 N#CCCC(=O)NCCO 527a_100000210304_100011934036 [0,2,0,0,0,0|1,0,1]=4 4495 B9R0.18 O=C(C#CCO)CCCF 1458a_100000049017_100011934791 [0,2,0,0,0,0|1,0,1]=4 4496 B9R0.18 O=C(C#CCO)CCCO 1458a_100000049017_100011215043 [0,2,0,0,0,0|1,0,1]=4 4497 B9R0.18 O=C(NCCF)NCCF 273464a_100000724931_100000724931 [0,2,0,0,0,0|2,0,0]=4 4498 B9R0.18 O=C(NCCO)NCCF 273464a_100000210304_100000724931 [0,2,0,0,0,0|2,0,0]=4 4499 B9R0.18 O=C(NCCO)NCCF 273464a_100000724931_100000210304 [0,2,0,0,0,0|2,0,0]=4 4500 B9R0.18 O=C(NCCO)NCCO 273464a_100000210304_100000210304 [0,2,0,0,0,0|2,0,0]=4 4501 B9R0.34 C#CC(=O)CC(=O)OCC 1458a_100000211873_100000188475 [0,2,0,0,0,0|0,0,2]=4 4502 B9R0.34 C#CC(C)NC(=O)CCC 11a_100000707721_100000211992 [0,2,0,0,0,0|1,0,0]=3 4503 B9R0.34 C#CC(C)NC(=O)CCC 1626a_100000707721_100000211992 [0,2,0,0,0,0|1,0,0]=3 4504 B9R0.34 C#CC(C)NC(=O)CCC 240690a_100000707721_100000211992 [0,2,0,0,0,0|1,0,0]=3 4505 B9R0.34 C#CC(C)NC(=O)CCC 527a_100000707721_100000211992 [0,2,0,0,0,0|1,0,0]=3 4506 B9R0.34 C#CC(C)NC(=O)CCO 240690a_100000707721_100011216618 [0,2,0,0,0,0|2,0,0]=4 4507 B9R0.34 C#CC(C)NC(=O)COC 11a_100000707721_100000210968 [0,2,0,0,0,0|2,0,0]=4 4508 B9R0.34 C#CC(C)NC(=O)COC 1626a_100000707721_100000210968 [0,2,0,0,0,0|2,0,0]=4 4509 B9R0.34 C#CC(C)NC(=O)COC 240690a_100000707721_100000210968 [0,2,0,0,0,0|2,0,0]=4 4510 B9R0.34 C#CC(C)NC(=O)COC 527a_100000707721_100000210968 [0,2,0,0,0,0|2,0,0]=4 4511 B9R0.34 C#CC(C)NC(=O)CSC 11a_100000707721_100000184570 [0,2,0,0,0,0|2,0,0]=4 4512 B9R0.34 C#CC(C)NC(=O)CSC 1626a_100000707721_100000184570 [0,2,0,0,0,0|2,0,0]=4 4513 B9R0.34 C#CC(C)NC(=O)CSC 240690a_100000707721_100000184570 [0,2,0,0,0,0|2,0,0]=4 4514 B9R0.34 C#CC(C)NC(=O)CSC 527a_100000707721_100000184570 [0,2,0,0,0,0|2,0,0]=4 4515 B9R0.34 C#CC(C)NC(=O)NCC 2708a_100000707721_100015525214 [0,2,0,0,0,0|2,0,0]=4 4516 B9R0.34 C#CC(C)NC(=O)NCC 2708a_100015525214_100000707721 [0,2,0,0,0,0|2,0,0]=4 4517 B9R0.34 C#CC(C)NC(=O)NCC 273464a_100000707721_100015525214 [0,2,0,0,0,0|2,0,0]=4 4518 B9R0.34 C#CC(C)NC(=O)NCC 273464a_100015525214_100000707721 [0,2,0,0,0,0|2,0,0]=4 4519 B9R0.34 C#CC(C)NC(=O)NCC 512a_100000707721_100015525214 [0,2,0,0,0,0|2,0,0]=4 4520 B9R0.34 C#CC(C)NC(=O)NCC 512a_100015525214_100000707721 [0,2,0,0,0,0|2,0,0]=4 4521 B9R0.34 C#CC(C)OC(C)CCC 34a_100000764384_200000035995 [0,2,0,0,0,0|1,0,1]=4 4522 B9R0.34 C#C[C@@H](C)OC(C)CCC 34a_100009815206_100000766640 [0,2,0,0,0,0|1,0,1]=4 4523 B9R0.34 C#C[C@@H](C)OC(C)CCC 7a_100009815206_100000766640 [0,2,0,0,0,0|1,0,1]=4 4524 B9R0.34 C=C(CCC)CC(=O)CC 1458a_100000138376_100000210202 [0,2,0,0,0,0|2,0,0]=4 4525 B9R0.34 C=CC(=O)CC(=O)OCC 1458a_100000185746_100000188475 [0,2,0,0,0,0|0,0,2]=4 4526 B9R0.34 C=CC(C)CC(=O)CCC 1458a_100011934298_100000210303 [0,2,0,0,0,0|1,0,0]=3 4527 B9R0.34 C=CC(C)CC(=O)CCF 1458a_100011934298_100011217306 [0,2,0,0,0,0|2,0,0]=4 4528 B9R0.34 C=CC(C)CC(=O)CCO 1458a_100011934298_100000211926 [0,2,0,0,0,0|2,0,0]=4 4529 B9R0.34 C=CC(C)CC(=O)NCC 11a_100015525214_100011934298 [0,2,0,0,0,0|1,0,0]=3 4530 B9R0.34 C=CC(C)CC(=O)NCC 240690a_100015525214_100011934298 [0,2,0,0,0,0|1,0,0]=3 4531 B9R0.34 C=CC(C)CC(=O)NCC 527a_100015525214_100011934298 [0,2,0,0,0,0|1,0,0]=3 4532 B9R0.34 C=CC(C)CC(=O)NNC 22a_100016993582_100011934298 [0,2,0,0,0,0|2,0,0]=4 4533 B9R0.34 C=CC(C)OC(C)CCC 34a_100000695699_100000766640 [0,2,0,0,0,0|1,0,1]=4 4534 B9R0.34 C=COC(=O)CC(=O)CC 1458a_100000210414_100000036128 [0,2,0,0,0,0|0,0,2]=4 4535 B9R0.34 C=COC(=O)CN(C)CC 2230a_100000225621_100000036128 [0,2,0,0,0,0|0,0,2]=4 4536 B9R0.34 C=COC(=O)CN(C)CC 269982a_100000225621_100000036128 [0,2,0,0,0,0|0,0,2]=4 4537 B9R0.34 CC#CC(=O)CC(=O)CC 1458a_100000763181_100000747405 [0,2,0,0,0,0|1,0,1]=4 4538 B9R0.34 CC#CC(=O)CC(C)CC 1458a_100000763181_100000748023 [0,2,0,0,0,0|1,0,1]=4 4539 B9R0.34 CC#CC(=O)CC(O)CC 1458a_100000763181_100011218378 [0,2,0,0,0,0|1,0,1]=4 4540 B9R0.34 CC#CC(=O)C[C@@H](C)CC 1458a_100000763181_100009816398 [0,2,0,0,0,0|1,0,1]=4 4541 B9R0.34 CC#CC(=O)C[C@@H](C)CO 1458a_100000763181_100000059175 [0,2,0,0,0,0|1,0,1]=4 4542 B9R0.34 CC=CC(=O)CC(=O)CC 1458a_100000210699_100000747405 [0,2,0,0,0,0|1,0,1]=4 4543 B9R0.34 CC=CC(=O)CC(C)CC 1458a_100000210699_100000748023 [0,2,0,0,0,0|1,0,1]=4 4544 B9R0.34 CC=CC(=O)CC(O)CC 1458a_100000210699_100011218378 [0,2,0,0,0,0|1,0,1]=4 4545 B9R0.34 CC=CC(=O)C[C@@H](C)CC 1458a_100000210699_100009816398 [0,2,0,0,0,0|1,0,1]=4 4546 B9R0.34 CC=CC(=O)C[C@@H](C)CO 1458a_100000210699_100000059175 [0,2,0,0,0,0|1,0,1]=4 4547 B9R0.34 CC=CC(=O)NC(C)CC 11a_100000209981_100000210699 [0,2,0,0,0,0|1,0,1]=4 4548 B9R0.34 CC=CC(=O)NC(C)CC 1626a_100000209981_100000210699 [0,2,0,0,0,0|1,0,1]=4 4549 B9R0.34 CC=CC(=O)NC(C)CC 240690a_100000209981_100000210699 [0,2,0,0,0,0|1,0,1]=4 4550 B9R0.34 CCC(=CC(=O)CCF)C 1458a_100020758463_100011217306 [0,2,0,0,0,0|2,0,0]=4 4551 B9R0.34 CCC(=CC(=O)CCO)C 1458a_100020758463_100000211926 [0,2,0,0,0,0|2,0,0]=4 4552 B9R0.34 CCC(=O)CC(=O)CCO 1458a_100011216618_100000747405 [0,2,0,0,0,0|2,0,0]=4 4553 B9R0.34 CCC(=O)CC(=O)COC 1458a_100000210968_100000747405 [0,2,0,0,0,0|2,0,0]=4 4554 B9R0.34 CCC(=O)CC(=O)CSC 1458a_100000184570_100000747405 [0,2,0,0,0,0|2,0,0]=4 4555 B9R0.34 CCC(=O)CC(=O)NCO 1458a_100000210414_100000185155 [0,2,0,0,0,0|2,0,0]=4 4556 B9R0.34 CCC(C)CC(=O)CCF 1458a_100000708755_100011217306 [0,2,0,0,0,0|2,0,0]=4 4557 B9R0.34 CCC(C)CC(=O)CCO 1458a_100000708755_100000211926 [0,2,0,0,0,0|2,0,0]=4 4558 B9R0.34 CCC(C)CC(=O)CCO 1458a_100011216618_100000748023 [0,2,0,0,0,0|2,0,0]=4 4559 B9R0.34 CCC(C)CC(=O)COC 1458a_100000210968_100000748023 [0,2,0,0,0,0|2,0,0]=4 4560 B9R0.34 CCC(C)CC(=O)CSC 1458a_100000184570_100000748023 [0,2,0,0,0,0|2,0,0]=4 4561 B9R0.34 CCC(C)CC(=O)NNC 22a_100016993582_100000708755 [0,2,0,0,0,0|2,0,0]=4 4562 B9R0.34 CCC(C)NC(=O)CCO 240690a_100000209981_100011216618 [0,2,0,0,0,0|2,0,0]=4 4563 B9R0.34 CCC(C)NC(=O)CNC 2230a_106832991635_100000182745 [0,2,0,0,0,0|2,0,0]=4 4564 B9R0.34 CCC(C)NC(=O)CNC 34a_100102657272_100000182745 [0,2,0,0,0,0|2,0,0]=4 4565 B9R0.34 CCC(C)NC(=O)CNC 7a_106832991635_100000182745 [0,2,0,0,0,0|2,0,0]=4 4566 B9R0.34 CCC(C)NC(=O)COC 11a_100000209981_100000210968 [0,2,0,0,0,0|2,0,0]=4 4567 B9R0.34 CCC(C)NC(=O)COC 1626a_100000209981_100000210968 [0,2,0,0,0,0|2,0,0]=4 4568 B9R0.34 CCC(C)NC(=O)COC 240690a_100000209981_100000210968 [0,2,0,0,0,0|2,0,0]=4 4569 B9R0.34 CCC(C)NC(=O)COC 34a_100138415774_100000182745 [0,2,0,0,0,0|2,0,0]=4 4570 B9R0.34 CCC(C)NC(=O)COC 527a_100000209981_100000210968 [0,2,0,0,0,0|2,0,0]=4 4571 B9R0.34 CCC(C)NC(=O)CSC 11a_100000209981_100000184570 [0,2,0,0,0,0|2,0,0]=4 4572 B9R0.34 CCC(C)NC(=O)CSC 1626a_100000209981_100000184570 [0,2,0,0,0,0|2,0,0]=4 4573 B9R0.34 CCC(C)NC(=O)CSC 240690a_100000209981_100000184570 [0,2,0,0,0,0|2,0,0]=4 4574 B9R0.34 CCC(C)NC(=O)CSC 527a_100000209981_100000184570 [0,2,0,0,0,0|2,0,0]=4 4575 B9R0.34 CCC(C)NC(=O)CSC 62a_100000182745_200000210301 [0,2,0,0,0,0|2,0,0]=4 4576 B9R0.34 CCC(C)NC(=O)CSC 62a_200000210301_100000182745 [0,2,0,0,0,0|2,0,0]=4 4577 B9R0.34 CCC(C)NC(=O)CS[13CH3] 62a_100000182745_200025704644 [0,2,0,0,0,0|2,0,0]=4 4578 B9R0.34 CCC(C)NC(=O)CS[13CH3] 62a_200025704644_100000182745 [0,2,0,0,0,0|2,0,0]=4 4579 B9R0.34 CCC(C)NC(=O)NNC 273464a_100000209981_100016993582 [0,2,0,0,0,0|2,0,0]=4 4580 B9R0.34 CCC(C)NC(=O)NNC 512a_100000209981_100016993582 [0,2,0,0,0,0|2,0,0]=4 4581 B9R0.34 CCC(C)NC(=O)NNC 512a_100016993582_100000209981 [0,2,0,0,0,0|2,0,0]=4 4582 B9R0.34 CCC(O)CC(=O)CCF 1458a_100011667805_100011217306 [0,2,0,0,0,0|2,0,0]=4 4583 B9R0.34 CCC(O)CC(=O)CCO 1458a_100011216618_100011218378 [0,2,0,0,0,0|2,0,0]=4 4584 B9R0.34 CCC(O)CC(=O)CCO 1458a_100011667805_100000211926 [0,2,0,0,0,0|2,0,0]=4 4585 B9R0.34 CCC(O)CC(=O)COC 1458a_100000210968_100011218378 [0,2,0,0,0,0|2,0,0]=4 4586 B9R0.34 CCC(O)CC(=O)CSC 1458a_100000184570_100011218378 [0,2,0,0,0,0|2,0,0]=4 4587 B9R0.34 CCC(O)CC(=O)NNC 22a_100016993582_100011667805 [0,2,0,0,0,0|2,0,0]=4 4588 B9R0.34 CCCC(=CC(=O)CC)C 1458a_100020676950_100000210202 [0,2,0,0,0,0|2,0,0]=4 4589 B9R0.34 CCCC(=O)C=C(C)CC 1458a_100020758463_100000210303 [0,2,0,0,0,0|1,0,0]=3 4590 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000210414_100000747444 [0,2,0,0,0,0|1,0,0]=3 4591 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000211992_100000747405 [0,2,0,0,0,0|1,0,0]=3 4592 B9R0.34 CCCC(=O)CC(=O)CO 1458a_100000210174_100000747444 [0,2,0,0,0,0|1,0,1]=4 4593 B9R0.34 CCCC(=O)CC(=O)NC 1458a_100000211992_100000183359 [0,2,0,0,0,0|1,0,1]=4 4594 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211351_100000210303 [0,2,0,0,0,0|1,0,1]=4 4595 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211992_100000747449 [0,2,0,0,0,0|1,0,1]=4 4596 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000211992_100000748023 [0,2,0,0,0,0|1,0,0]=3 4597 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000708755_100000210303 [0,2,0,0,0,0|1,0,0]=3 4598 B9R0.34 CCCC(=O)CC(O)CC 1458a_100000211992_100011218378 [0,2,0,0,0,0|1,0,0]=3 4599 B9R0.34 CCCC(=O)CC(O)CC 1458a_100011667805_100000210303 [0,2,0,0,0,0|1,0,0]=3 4600 B9R0.34 CCCC(=O)CN(C)CC 1458a_100116209913_100000210303 [0,2,0,0,0,0|1,0,0]=3 4601 B9R0.34 CCCC(=O)CN(C)CC 2230a_100000225621_100000747444 [0,2,0,0,0,0|1,0,0]=3 4602 B9R0.34 CCCC(=O)CN(C)CC 269982a_100000225621_100000747444 [0,2,0,0,0,0|1,0,0]=3 4603 B9R0.34 CCCC(=O)C[C@@H](C)CC 1458a_100000211992_100009816398 [0,2,0,0,0,0|1,0,0]=3 4604 B9R0.34 CCCC(=O)C[C@@H](C)CO 1458a_100000211992_100000059175 [0,2,0,0,0,0|1,0,0]=3 4605 B9R0.34 CCCC(=O)NC(C)C#N 11a_100000737613_100000211992 [0,2,0,0,0,0|1,0,0]=3 4606 B9R0.34 CCCC(=O)NC(C)C#N 1626a_100000737613_100000211992 [0,2,0,0,0,0|1,0,0]=3 4607 B9R0.34 CCCC(=O)NC(C)C#N 527a_100000737613_100000211992 [0,2,0,0,0,0|1,0,0]=3 4608 B9R0.34 CCCC(=O)NC(C)CC 11a_100000209981_100000211992 [0,2,0,0,0,0|1,0,0]=3 4609 B9R0.34 CCCC(=O)NC(C)CC 1626a_100000209981_100000211992 [0,2,0,0,0,0|1,0,0]=3 4610 B9R0.34 CCCC(=O)NC(C)CC 240690a_100000209981_100000211992 [0,2,0,0,0,0|1,0,0]=3 4611 B9R0.34 CCCC(=O)NC(C)CC 527a_100000209981_100000211992 [0,2,0,0,0,0|1,0,0]=3 4612 B9R0.34 CCCC(=O)N[C@H](C)CF 11a_100102880703_100000211992 [0,2,0,0,0,0|1,0,0]=3 4613 B9R0.34 CCCC(=O)N[C@H](C)CF 1626a_100102880703_100000211992 [0,2,0,0,0,0|1,0,0]=3 4614 B9R0.34 CCCC(=O)N[C@H](C)CF 240690a_100102880703_100000211992 [0,2,0,0,0,0|1,0,0]=3 4615 B9R0.34 CCCC(=O)N[C@H](C)CF 527a_100102880703_100000211992 [0,2,0,0,0,0|1,0,0]=3 4616 B9R0.34 CCCC(=O)N[C@H](C)CO 240690a_100000737577_100000211992 [0,2,0,0,0,0|1,0,0]=3 4617 B9R0.34 CCCC(=O)N[C@H](C)CO 527a_100000737577_100000211992 [0,2,0,0,0,0|1,0,0]=3 4618 B9R0.34 CCCC(C)OC(C)C#N 34a_100011218135_100000766640 [0,2,0,0,0,0|1,0,1]=4 4619 B9R0.34 CCCC(C)OC(C)C#N 7a_100000764384_100000703298 [0,2,0,0,0,0|1,0,1]=4 4620 B9R0.34 CCCC(C)OC(C)CC 34a_100000764384_100011215416 [0,2,0,0,0,0|1,0,1]=4 4621 B9R0.34 CCCC(C)OC(C)CC 7a_100000210228_100000766640 [0,2,0,0,0,0|1,0,1]=4 4622 B9R0.34 CCCC(C)OC(C)CC 7a_100000764384_100000758301 [0,2,0,0,0,0|1,0,1]=4 4623 B9R0.34 CCCC(C)OC(C)CF 34a_100016041109_100000766640 [0,2,0,0,0,0|1,0,1]=4 4624 B9R0.34 CCCC(C)OC(C)CF 7a_100016041109_100000766640 [0,2,0,0,0,0|1,0,1]=4 4625 B9R0.34 CCCC(C)OC(C)CN 34a_100000210904_100000766640 [0,2,0,0,0,0|1,0,1]=4 4626 B9R0.34 CCCC(C)OC(C)CO 34a_100000764384_100012180447 [0,2,0,0,0,0|1,0,1]=4 4627 B9R0.34 CCCC(C)OC(C)CO 7a_100000764384_100012180447 [0,2,0,0,0,0|1,0,1]=4 4628 B9R0.34 CCCS(=O)CC(=O)CC 1458a_100011387404_100000210202 [0,2,0,0,0,0|2,0,0]=4 4629 B9R0.34 CCN(C)CC(=O)CCF 1458a_100116209913_100011217306 [0,2,0,0,0,0|2,0,0]=4 4630 B9R0.34 CCN(C)CC(=O)CCO 1458a_100116209913_100000211926 [0,2,0,0,0,0|2,0,0]=4 4631 B9R0.34 CCN(C)CC(=O)NCO 2230a_100000225621_100000185155 [0,2,0,0,0,0|2,0,0]=4 4632 B9R0.34 CCN(C)CC(=O)NCO 269982a_100000225621_100000185155 [0,2,0,0,0,0|2,0,0]=4 4633 B9R0.34 CCN(C)CC(=O)NNC 22a_100016993582_100116209913 [0,2,0,0,0,0|2,0,0]=4 4634 B9R0.34 CCNC(=O)C=C(C)CC 11a_100015525214_100020758463 [0,2,0,0,0,0|1,0,1]=4 4635 B9R0.34 CCNC(=O)C=C(C)CC 240690a_100015525214_100020758463 [0,2,0,0,0,0|1,0,1]=4 4636 B9R0.34 CCNC(=O)CC(=O)CC 1458a_100000210414_100000183381 [0,2,0,0,0,0|1,0,0]=3 4637 B9R0.34 CCNC(=O)CC(=O)CO 1458a_100000210174_100000183381 [0,2,0,0,0,0|1,0,1]=4 4638 B9R0.34 CCNC(=O)CC(=O)OC 240690a_100015525214_100000211351 [0,2,0,0,0,0|1,0,1]=4 4639 B9R0.34 CCNC(=O)CC(C)CC 11a_100015525214_100000708755 [0,2,0,0,0,0|1,0,0]=3 4640 B9R0.34 CCNC(=O)CC(C)CC 240690a_100015525214_100000708755 [0,2,0,0,0,0|1,0,0]=3 4641 B9R0.34 CCNC(=O)CC(C)CC 527a_100015525214_100000708755 [0,2,0,0,0,0|1,0,0]=3 4642 B9R0.34 CCNC(=O)CC(O)CC 240690a_100015525214_100011667805 [0,2,0,0,0,0|1,0,0]=3 4643 B9R0.34 CCNC(=O)CN(C)CC 2230a_100000225621_100000183381 [0,2,0,0,0,0|1,0,0]=3 4644 B9R0.34 CCNC(=O)CN(C)CC 2230a_100000741943_100000210202 [0,2,0,0,0,0|1,0,0]=3 4645 B9R0.34 CCNC(=O)CN(C)CC 240690a_100015525214_100116209913 [0,2,0,0,0,0|1,0,0]=3 4646 B9R0.34 CCNC(=O)CN(C)CC 269982a_100000225621_100000183381 [0,2,0,0,0,0|1,0,0]=3 4647 B9R0.34 CCNC(=O)CN(C)CC 269982a_100000741943_100000204670 [0,2,0,0,0,0|1,0,0]=3 4648 B9R0.34 CCNC(=O)CN(C)CC 527a_100015525214_100116209913 [0,2,0,0,0,0|1,0,0]=3 4649 B9R0.34 CCNC(=O)CN(C)CF 269982a_100000741943_100015361967 [0,2,0,0,0,0|2,0,0]=4 4650 B9R0.34 CCNC(=O)NC(C)C#N 2708a_100000737613_100015525214 [0,2,0,0,0,0|2,0,0]=4 4651 B9R0.34 CCNC(=O)NC(C)C#N 2708a_100015525214_100000737613 [0,2,0,0,0,0|2,0,0]=4 4652 B9R0.34 CCNC(=O)NC(C)C#N 273464a_100000737613_100015525214 [0,2,0,0,0,0|2,0,0]=4 4653 B9R0.34 CCNC(=O)NC(C)C#N 273464a_100015525214_100000737613 [0,2,0,0,0,0|2,0,0]=4 4654 B9R0.34 CCNC(=O)NC(C)C#N 512a_100000737613_100015525214 [0,2,0,0,0,0|2,0,0]=4 4655 B9R0.34 CCNC(=O)NC(C)C#N 512a_100015525214_100000737613 [0,2,0,0,0,0|2,0,0]=4 4656 B9R0.34 CCNC(=O)NC(C)CC 2708a_100000209981_100015525214 [0,2,0,0,0,0|1,0,0]=3 4657 B9R0.34 CCNC(=O)NC(C)CC 2708a_100015525214_100000209981 [0,2,0,0,0,0|1,0,0]=3 4658 B9R0.34 CCNC(=O)NC(C)CC 273464a_100000209981_100015525214 [0,2,0,0,0,0|1,0,0]=3 4659 B9R0.34 CCNC(=O)NC(C)CC 273464a_100015525214_100000209981 [0,2,0,0,0,0|1,0,0]=3 4660 B9R0.34 CCNC(=O)NC(C)CC 512a_100000209981_100015525214 [0,2,0,0,0,0|1,0,0]=3 4661 B9R0.34 CCNC(=O)NC(C)CC 512a_100015525214_100000209981 [0,2,0,0,0,0|1,0,0]=3 4662 B9R0.34 CCNC(=O)N[C@H](C)CF 2708a_100015525214_100102880703 [0,2,0,0,0,0|2,0,0]=4 4663 B9R0.34 CCNC(=O)N[C@H](C)CF 273464a_100015525214_100102880703 [0,2,0,0,0,0|2,0,0]=4 4664 B9R0.34 CCNC(=O)N[C@H](C)CF 273464a_100102880703_100015525214 [0,2,0,0,0,0|2,0,0]=4 4665 B9R0.34 CCNC(=O)N[C@H](C)CF 512a_100015525214_100102880703 [0,2,0,0,0,0|2,0,0]=4 4666 B9R0.34 CCNC(=O)N[C@H](C)CF 512a_100102880703_100015525214 [0,2,0,0,0,0|2,0,0]=4 4667 B9R0.34 CCNC(=O)N[C@H](C)CO 2708a_100015525214_100000737577 [0,2,0,0,0,0|2,0,0]=4 4668 B9R0.34 CCNC(=O)N[C@H](C)CO 273464a_100000737577_100015525214 [0,2,0,0,0,0|2,0,0]=4 4669 B9R0.34 CCNC(=O)N[C@H](C)CO 512a_100000737577_100015525214 [0,2,0,0,0,0|2,0,0]=4 4670 B9R0.34 CCNC(=O)N[C@H](C)CO 512a_100015525214_100000737577 [0,2,0,0,0,0|2,0,0]=4 4671 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000210414_100000188475 [0,2,0,0,0,0|0,0,0]=2 4672 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000243816_100000210202 [0,2,0,0,0,0|0,0,0]=2 4673 B9R0.34 CCOC(=O)CC(=O)CF 1458a_100000243816_100015361967 [0,2,0,0,0,0|0,0,1]=3 4674 B9R0.34 CCOC(=O)CC(=O)CO 1458a_100000210174_100000188475 [0,2,0,0,0,0|0,0,1]=3 4675 B9R0.34 CCOC(=O)CC(=O)NC 240690a_100102657272_100000243816 [0,2,0,0,0,0|0,0,1]=3 4676 B9R0.34 CCOC(=O)CC(C)NC 2230a_106832991635_100009817359 [0,2,0,0,0,0|0,0,0]=2 4677 B9R0.34 CCOC(=O)CC(C)NC 7a_106832991635_100009817359 [0,2,0,0,0,0|0,0,0]=2 4678 B9R0.34 CCOC(=O)CC(C)SC 62a_100009817359_200000210301 [0,2,0,0,0,0|0,0,0]=2 4679 B9R0.34 CCOC(=O)CC(C)SC 62a_200000210301_100009817359 [0,2,0,0,0,0|0,0,0]=2 4680 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_100009817359_200025704644 [0,2,0,0,0,0|0,0,0]=2 4681 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_200025704644_100009817359 [0,2,0,0,0,0|0,0,0]=2 4682 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220588_100000210202 [0,2,0,0,0,0|0,0,0]=2 4683 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220607_200000210301 [0,2,0,0,0,0|0,0,0]=2 4684 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000225621_100000188475 [0,2,0,0,0,0|0,0,0]=2 4685 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000220607_200000210301 [0,2,0,0,0,0|0,0,0]=2 4686 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000225621_100000188475 [0,2,0,0,0,0|0,0,0]=2 4687 B9R0.34 CCOC(=O)CN([13CH3])CC 2230a_100000220607_200025704644 [0,2,0,0,0,0|0,0,0]=2 4688 B9R0.34 CCOC(=O)CN([13CH3])CC 269982a_100000220607_200025704644 [0,2,0,0,0,0|0,0,0]=2 4689 B9R0.34 CCOC(=O)C[C@@H](C)OC 7a_100009816390_200000210301 [0,2,0,0,0,0|0,0,0]=2 4690 B9R0.34 CCOC(=O)C[C@@H](C)O[13CH3] 7a_100009816390_200025704644 [0,2,0,0,0,0|0,0,0]=2 4691 B9R0.34 CCOC(=O)OC(C)SC 62a_100000036008_200000210301 [0,2,0,0,0,0|1,0,0]=3 4692 B9R0.34 CCOC(=O)OC(C)SC 62a_200000210301_100000036008 [0,2,0,0,0,0|1,0,0]=3 4693 B9R0.34 CCOC(=O)OC(C)S[13CH3] 62a_100000036008_200025704644 [0,2,0,0,0,0|1,0,0]=3 4694 B9R0.34 CCOC(=O)OC(C)S[13CH3] 62a_200025704644_100000036008 [0,2,0,0,0,0|1,0,0]=3 4695 B9R0.34 CC[C@H](C)CC(=O)CCO 1458a_100011216618_100009816398 [0,2,0,0,0,0|2,0,0]=4 4696 B9R0.34 CC[C@H](C)CC(=O)COC 1458a_100000210968_100009816398 [0,2,0,0,0,0|2,0,0]=4 4697 B9R0.34 CC[C@H](C)CC(=O)CSC 1458a_100000184570_100009816398 [0,2,0,0,0,0|2,0,0]=4 4698 B9R0.34 COCC(=O)C[C@@H](C)CO 1458a_100000210968_100000059175 [0,2,0,0,0,0|2,0,0]=4 4699 B9R0.34 COCC(=O)NC(C)C#N 11a_100000737613_100000210968 [0,2,0,0,0,0|2,0,0]=4 4700 B9R0.34 COCC(=O)NC(C)C#N 1626a_100000737613_100000210968 [0,2,0,0,0,0|2,0,0]=4 4701 B9R0.34 COCC(=O)NC(C)C#N 527a_100000737613_100000210968 [0,2,0,0,0,0|2,0,0]=4 4702 B9R0.34 COCC(=O)N[C@H](C)CF 11a_100102880703_100000210968 [0,2,0,0,0,0|2,0,0]=4 4703 B9R0.34 COCC(=O)N[C@H](C)CF 1626a_100102880703_100000210968 [0,2,0,0,0,0|2,0,0]=4 4704 B9R0.34 COCC(=O)N[C@H](C)CF 240690a_100102880703_100000210968 [0,2,0,0,0,0|2,0,0]=4 4705 B9R0.34 COCC(=O)N[C@H](C)CF 527a_100102880703_100000210968 [0,2,0,0,0,0|2,0,0]=4 4706 B9R0.34 COCC(=O)N[C@H](C)CO 240690a_100000737577_100000210968 [0,2,0,0,0,0|2,0,0]=4 4707 B9R0.34 COCC(=O)N[C@H](C)CO 527a_100000737577_100000210968 [0,2,0,0,0,0|2,0,0]=4 4708 B9R0.34 CSCC(=O)C[C@@H](C)CO 1458a_100000184570_100000059175 [0,2,0,0,0,0|2,0,0]=4 4709 B9R0.34 CSCC(=O)NC(C)C#N 11a_100000737613_100000184570 [0,2,0,0,0,0|2,0,0]=4 4710 B9R0.34 CSCC(=O)NC(C)C#N 1626a_100000737613_100000184570 [0,2,0,0,0,0|2,0,0]=4 4711 B9R0.34 CSCC(=O)NC(C)C#N 527a_100000737613_100000184570 [0,2,0,0,0,0|2,0,0]=4 4712 B9R0.34 CSCC(=O)N[C@H](C)CF 11a_100102880703_100000184570 [0,2,0,0,0,0|2,0,0]=4 4713 B9R0.34 CSCC(=O)N[C@H](C)CF 1626a_100102880703_100000184570 [0,2,0,0,0,0|2,0,0]=4 4714 B9R0.34 CSCC(=O)N[C@H](C)CF 240690a_100102880703_100000184570 [0,2,0,0,0,0|2,0,0]=4 4715 B9R0.34 CSCC(=O)N[C@H](C)CF 527a_100102880703_100000184570 [0,2,0,0,0,0|2,0,0]=4 4716 B9R0.34 CSCC(=O)N[C@H](C)CO 240690a_100000737577_100000184570 [0,2,0,0,0,0|2,0,0]=4 4717 B9R0.34 CSCC(=O)N[C@H](C)CO 527a_100000737577_100000184570 [0,2,0,0,0,0|2,0,0]=4 4718 B9R0.34 C[C@@H](CO)CC(=O)CCO 1458a_100011216618_100000059175 [0,2,0,0,0,0|2,0,0]=4 4719 B9R0.34 C[C@H](CF)NC(=O)CCO 240690a_100102880703_100011216618 [0,2,0,0,0,0|2,0,0]=4 4720 B9R0.34 C[C@H](CO)NC(=O)CCO 240690a_100000737577_100011216618 [0,2,0,0,0,0|2,0,0]=4 4721 B9R0.35 C#CCC(=O)C(C)OCC 1458a_100000739345_100000184674 [0,2,0,0,0,0|0,0,2]=4 4722 B9R0.35 C#CCN(C)C(=O)CCC 11a_100000225692_100000211992 [0,2,0,0,0,0|1,0,1]=4 4723 B9R0.35 C#CCN(C)C(=O)CCC 1626a_100000225692_100000211992 [0,2,0,0,0,0|1,0,1]=4 4724 B9R0.35 C#CCN(C)C(=O)CCC 527a_100000225692_100000211992 [0,2,0,0,0,0|1,0,1]=4 4725 B9R0.35 C=C(CNC)C(=O)OCC 34a_100102657272_100000755967 [0,2,0,0,0,0|0,0,1]=3 4726 B9R0.35 C=C(CNC)C(=O)OCC 7a_106832991635_100000755967 [0,2,0,0,0,0|0,0,1]=3 4727 B9R0.35 C=C(COC)C(=O)OCC 34a_100138415774_100000755967 [0,2,0,0,0,0|0,0,1]=3 4728 B9R0.35 C=C(CSC)C(=O)OCC 62a_100000755967_200000210301 [0,2,0,0,0,0|0,0,1]=3 4729 B9R0.35 C=C(CSC)C(=O)OCC 62a_200000210301_100000755967 [0,2,0,0,0,0|0,0,1]=3 4730 B9R0.35 C=C(CS[13CH3])C(=O)OCC 62a_100000755967_200025704644 [0,2,0,0,0,0|0,0,1]=3 4731 B9R0.35 C=C(CS[13CH3])C(=O)OCC 62a_200025704644_100000755967 [0,2,0,0,0,0|0,0,1]=3 4732 B9R0.35 C=CCC(=O)C(C)OCC 1458a_100000739345_100000210623 [0,2,0,0,0,0|0,0,2]=4 4733 B9R0.35 C=CCC(C)C(=O)CCC 1458a_100011216819_100000210303 [0,2,0,0,0,0|1,0,1]=4 4734 B9R0.35 C=CCC(C)C(=O)NCC 11a_100015525214_100011216819 [0,2,0,0,0,0|1,0,1]=4 4735 B9R0.35 C=CCC(C)C(=O)NCC 240690a_100015525214_100011216819 [0,2,0,0,0,0|1,0,1]=4 4736 B9R0.35 C=CCC(C)C(=O)NCC 527a_100015525214_100011216819 [0,2,0,0,0,0|1,0,1]=4 4737 B9R0.35 C=CCN(C)C(=O)CCC 11a_100000225617_100000211992 [0,2,0,0,0,0|1,0,1]=4 4738 B9R0.35 C=CCN(C)C(=O)CCC 1626a_100000225617_100000211992 [0,2,0,0,0,0|1,0,1]=4 4739 B9R0.35 C=CCN(C)C(=O)CCC 240690a_100000225617_100000211992 [0,2,0,0,0,0|1,0,1]=4 4740 B9R0.35 C=CCN(C)C(=O)CCC 527a_100000225617_100000211992 [0,2,0,0,0,0|1,0,1]=4 4741 B9R0.35 CC#CC(=O)C(C)CCC 1458a_100000763181_100000766640 [0,2,0,0,0,0|1,0,1]=4 4742 B9R0.35 CC#CC(=O)C(C)CCO 1458a_100000763181_100009893172 [0,2,0,0,0,0|1,0,1]=4 4743 B9R0.35 CC#CC(=O)C(C)COC 1458a_100000763181_100000765312 [0,2,0,0,0,0|1,0,1]=4 4744 B9R0.35 CC(CCO)C(=O)CCO 1458a_100011216618_100009893172 [0,2,0,0,0,0|2,0,0]=4 4745 B9R0.35 CC/C=C(\C)/C(=O)CCC 1458a_100016988807_100000210303 [0,2,0,0,0,0|1,0,0]=3 4746 B9R0.35 CC/C=C(\C)/C(=O)CCF 1458a_100016988807_100011217306 [0,2,0,0,0,0|2,0,0]=4 4747 B9R0.35 CC/C=C(\C)/C(=O)CCO 1458a_100016988807_100000211926 [0,2,0,0,0,0|2,0,0]=4 4748 B9R0.35 CC/C=C(\C)/C(=O)NCC 11a_100015525214_100016988807 [0,2,0,0,0,0|1,0,1]=4 4749 B9R0.35 CC/C=C(\C)/C(=O)NCC 240690a_100015525214_100016988807 [0,2,0,0,0,0|1,0,1]=4 4750 B9R0.35 CC/C=C(\C)/C(=O)NCC 527a_100015525214_100016988807 [0,2,0,0,0,0|1,0,1]=4 4751 B9R0.35 CC=CC(=O)C(C)CCC 1458a_100000210699_100000766640 [0,2,0,0,0,0|1,0,1]=4 4752 B9R0.35 CC=CC(=O)C(C)CCO 1458a_100000210699_100009893172 [0,2,0,0,0,0|1,0,1]=4 4753 B9R0.35 CC=CC(=O)C(C)COC 1458a_100000210699_100000765312 [0,2,0,0,0,0|1,0,1]=4 4754 B9R0.35 CC=CC(=O)N(C)CCC 11a_100000747261_100000210699 [0,2,0,0,0,0|1,0,1]=4 4755 B9R0.35 CC=CC(=O)N(C)CCC 1626a_100000747261_100000210699 [0,2,0,0,0,0|1,0,1]=4 4756 B9R0.35 CC=CC(=O)N(C)CCC 240690a_100000747261_100000210699 [0,2,0,0,0,0|1,0,1]=4 4757 B9R0.35 CCCC(=O)/C(=N/OC)/C 1458a_100160996864_100000210303 [0,2,0,0,0,0|2,0,0]=4 4758 B9R0.35 CCCC(=O)C(=O)NCC 1458a_200011297158_100000210303 [0,2,0,0,0,0|1,0,0]=3 4759 B9R0.35 CCCC(=O)C(C)CC#N 1458a_100000211992_100009813641 [0,2,0,0,0,0|1,0,1]=4 4760 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000210906_100000210303 [0,2,0,0,0,0|1,0,0]=3 4761 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000211992_100000766640 [0,2,0,0,0,0|1,0,0]=3 4762 B9R0.35 CCCC(=O)C(C)CCO 1458a_100000211992_100009893172 [0,2,0,0,0,0|1,0,0]=3 4763 B9R0.35 CCCC(=O)C(C)COC 1458a_100000211992_100000765312 [0,2,0,0,0,0|1,0,0]=3 4764 B9R0.35 CCCC(=O)C(C)COC 1458a_100000751857_100000210303 [0,2,0,0,0,0|1,0,0]=3 4765 B9R0.35 CCCC(=O)C(C)CSC 1458a_100000753918_100000210303 [0,2,0,0,0,0|1,0,0]=3 4766 B9R0.35 CCCC(=O)C(C)OCC 1458a_100000739345_100000210303 [0,2,0,0,0,0|0,0,0]=2 4767 B9R0.35 CCCC(=O)C(C)SCC 1458a_100000230601_100000210303 [0,2,0,0,0,0|0,1,0]=3 4768 B9R0.35 CCCC(=O)N(C)CC#N 11a_100000748184_100000211992 [0,2,0,0,0,0|1,0,1]=4 4769 B9R0.35 CCCC(=O)N(C)CC#N 1626a_100000748184_100000211992 [0,2,0,0,0,0|1,0,1]=4 4770 B9R0.35 CCCC(=O)N(C)CCC 11a_100000747261_100000211992 [0,2,0,0,0,0|1,0,0]=3 4771 B9R0.35 CCCC(=O)N(C)CCC 1626a_100000747261_100000211992 [0,2,0,0,0,0|1,0,0]=3 4772 B9R0.35 CCCC(=O)N(C)CCC 240690a_100000747261_100000211992 [0,2,0,0,0,0|1,0,0]=3 4773 B9R0.35 CCCC(=O)N(C)CCC 527a_100000747261_100000211992 [0,2,0,0,0,0|1,0,0]=3 4774 B9R0.35 CCCC(=O)N(C)CCO 240690a_100000210263_100000211992 [0,2,0,0,0,0|1,0,0]=3 4775 B9R0.35 CCCC(=O)N(C)CCO 527a_100000210263_100000211992 [0,2,0,0,0,0|1,0,0]=3 4776 B9R0.35 CCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210303 [0,2,0,0,0,0|1,0,0]=3 4777 B9R0.35 CCCC(C)C(=O)CCF 1458a_100000210906_100011217306 [0,2,0,0,0,0|2,0,0]=4 4778 B9R0.35 CCCC(C)C(=O)CCO 1458a_100000210906_100000211926 [0,2,0,0,0,0|2,0,0]=4 4779 B9R0.35 CCCC(C)C(=O)CCO 1458a_100011216618_100000766640 [0,2,0,0,0,0|2,0,0]=4 4780 B9R0.35 CCCC(C)C(=O)COC 1458a_100000210968_100000766640 [0,2,0,0,0,0|2,0,0]=4 4781 B9R0.35 CCCC(C)C(=O)CSC 1458a_100000184570_100000766640 [0,2,0,0,0,0|2,0,0]=4 4782 B9R0.35 CCCC(C)C(=O)NCC 11a_100015525214_100000210906 [0,2,0,0,0,0|1,0,0]=3 4783 B9R0.35 CCCC(C)C(=O)NCC 240690a_100015525214_100000210906 [0,2,0,0,0,0|1,0,0]=3 4784 B9R0.35 CCCC(C)C(=O)NCC 527a_100015525214_100000210906 [0,2,0,0,0,0|1,0,0]=3 4785 B9R0.35 CCCC(C)C(=O)NNC 22a_100016993582_100000210906 [0,2,0,0,0,0|2,0,0]=4 4786 B9R0.35 CCCC(C)C(C)OCC 34a_100000708338_100000210202 [0,2,0,0,0,0|1,0,1]=4 4787 B9R0.35 CCCC(C)C(C)OCC 7a_100000708338_100000210202 [0,2,0,0,0,0|1,0,1]=4 4788 B9R0.35 CCCN(C)C(=O)CCO 240690a_100000747261_100011216618 [0,2,0,0,0,0|2,0,0]=4 4789 B9R0.35 CCCN(C)C(=O)COC 11a_100000747261_100000210968 [0,2,0,0,0,0|2,0,0]=4 4790 B9R0.35 CCCN(C)C(=O)COC 1626a_100000747261_100000210968 [0,2,0,0,0,0|2,0,0]=4 4791 B9R0.35 CCCN(C)C(=O)COC 240690a_100000747261_100000210968 [0,2,0,0,0,0|2,0,0]=4 4792 B9R0.35 CCCN(C)C(=O)COC 527a_100000747261_100000210968 [0,2,0,0,0,0|2,0,0]=4 4793 B9R0.35 CCCN(C)C(=O)CSC 11a_100000747261_100000184570 [0,2,0,0,0,0|2,0,0]=4 4794 B9R0.35 CCCN(C)C(=O)CSC 1626a_100000747261_100000184570 [0,2,0,0,0,0|2,0,0]=4 4795 B9R0.35 CCCN(C)C(=O)CSC 240690a_100000747261_100000184570 [0,2,0,0,0,0|2,0,0]=4 4796 B9R0.35 CCCN(C)C(=O)CSC 527a_100000747261_100000184570 [0,2,0,0,0,0|2,0,0]=4 4797 B9R0.35 CCCN(C)C(=O)NCC 2708a_100015525214_100000747261 [0,2,0,0,0,0|1,0,0]=3 4798 B9R0.35 CCCN(C)C(=O)NCC 273464a_100015525214_100000747261 [0,2,0,0,0,0|1,0,0]=3 4799 B9R0.35 CCC[C@H](O)C(=O)CCF 1458a_100009822183_100011217306 [0,2,0,0,0,0|2,0,0]=4 4800 B9R0.35 CCC[C@H](O)C(=O)CCO 1458a_100009822183_100000211926 [0,2,0,0,0,0|2,0,0]=4 4801 B9R0.35 CCC[C@H](O)C(=O)NCC 240690a_100015525214_100009822183 [0,2,0,0,0,0|1,0,0]=3 4802 B9R0.35 CCC[C@H](O)C(=O)NNC 22a_100016993582_100009822183 [0,2,0,0,0,0|2,0,0]=4 4803 B9R0.35 CCNC(=O)C(=O)CCF 1458a_200011297158_100011217306 [0,2,0,0,0,0|1,0,1]=4 4804 B9R0.35 CCNC(=O)C(=O)CCO 1458a_200011297158_100000211926 [0,2,0,0,0,0|1,0,1]=4 4805 B9R0.35 CCNC(=O)C(=O)NCC 240690a_100015525214_200011297158 [0,2,0,0,0,0|1,0,1]=4 4806 B9R0.35 CCNC(=O)C(=O)NCC 527a_100015525214_200011297158 [0,2,0,0,0,0|1,0,1]=4 4807 B9R0.35 CCNC(=O)C(=O)OCC 11a_100015525214_100014798877 [0,2,0,0,0,0|0,0,1]=3 4808 B9R0.35 CCNC(=O)C(=O)OCC 240690a_100015525214_100014798877 [0,2,0,0,0,0|0,0,1]=3 4809 B9R0.35 CCNC(=O)C(C)COC 11a_100015525214_100000751857 [0,2,0,0,0,0|1,0,0]=3 4810 B9R0.35 CCNC(=O)C(C)COC 240690a_100015525214_100000751857 [0,2,0,0,0,0|1,0,0]=3 4811 B9R0.35 CCNC(=O)C(C)COC 527a_100015525214_100000751857 [0,2,0,0,0,0|1,0,0]=3 4812 B9R0.35 CCNC(=O)C(C)CSC 11a_100015525214_100000753918 [0,2,0,0,0,0|1,0,0]=3 4813 B9R0.35 CCNC(=O)C(C)CSC 240690a_100015525214_100000753918 [0,2,0,0,0,0|1,0,0]=3 4814 B9R0.35 CCNC(=O)C(C)CSC 527a_100015525214_100000753918 [0,2,0,0,0,0|1,0,0]=3 4815 B9R0.35 CCNC(=O)C(C)NCC 2230a_100000736553_100000210202 [0,2,0,0,0,0|1,0,0]=3 4816 B9R0.35 CCNC(=O)C(C)NCC 2230a_100015525214_100000230173 [0,2,0,0,0,0|1,0,0]=3 4817 B9R0.35 CCNC(=O)C(C)NCC 34a_100000736553_100000210202 [0,2,0,0,0,0|1,0,0]=3 4818 B9R0.35 CCNC(=O)C(C)NCF 34a_100000736553_100015361967 [0,2,0,0,0,0|2,0,0]=4 4819 B9R0.35 CCNC(=O)C(C)OCC 11a_100015525214_100000739345 [0,2,0,0,0,0|1,0,0]=3 4820 B9R0.35 CCNC(=O)C(C)OCC 240690a_100015525214_100000739345 [0,2,0,0,0,0|1,0,0]=3 4821 B9R0.35 CCNC(=O)C(C)OCC 34a_100121572206_100000230173 [0,2,0,0,0,0|1,0,0]=3 4822 B9R0.35 CCNC(=O)C(C)OCC 527a_100015525214_100000739345 [0,2,0,0,0,0|1,0,0]=3 4823 B9R0.35 CCNC(=O)C(C)SCC 11a_100015525214_100000230601 [0,2,0,0,0,0|1,0,0]=3 4824 B9R0.35 CCNC(=O)C(C)SCC 240690a_100015525214_100000230601 [0,2,0,0,0,0|1,0,0]=3 4825 B9R0.35 CCNC(=O)C(C)SCC 527a_100015525214_100000230601 [0,2,0,0,0,0|1,0,0]=3 4826 B9R0.35 CCNC(=O)C(C)SCC 62a_100000210202_100000230173 [0,2,0,0,0,0|1,0,0]=3 4827 B9R0.35 CCNC(=O)C(C)SCC 62a_100000230173_100000210202 [0,2,0,0,0,0|1,0,0]=3 4828 B9R0.35 CCNC(=O)C(C)SCF 62a_100000230173_100015361967 [0,2,0,0,0,0|2,0,0]=4 4829 B9R0.35 CCNC(=O)C(C)SCF 62a_100015361967_100000230173 [0,2,0,0,0,0|2,0,0]=4 4830 B9R0.35 CCNC(=O)N(C)CCO 2708a_100015525214_100000210263 [0,2,0,0,0,0|2,0,0]=4 4831 B9R0.35 CCNC(=O)N(C)CCO 273464a_100015525214_100000210263 [0,2,0,0,0,0|2,0,0]=4 4832 B9R0.35 CCNC(C)C(=O)OCC 2230a_100015525214_100011215307 [0,2,0,0,0,0|0,0,0]=2 4833 B9R0.35 CCNC(F)C(=O)OCC 2230a_100015525214_100000760018 [0,2,0,0,0,0|0,0,0]=2 4834 B9R0.35 CCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210202 [0,2,0,0,0,0|0,1,0]=3 4835 B9R0.35 CCOC(=O)C(=O)CSC 62a_100000211299_200000210301 [0,2,0,0,0,0|0,0,1]=3 4836 B9R0.35 CCOC(=O)C(=O)CSC 62a_200000210301_100000211299 [0,2,0,0,0,0|0,0,1]=3 4837 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_100000211299_200025704644 [0,2,0,0,0,0|0,0,1]=3 4838 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_200025704644_100000211299 [0,2,0,0,0,0|0,0,1]=3 4839 B9R0.35 CCOC(=O)C(C)OCC 34a_100121572206_100011216346 [0,2,0,0,0,0|0,0,0]=2 4840 B9R0.35 CCOC(=O)C(C)SCC 62a_100000210202_100011216346 [0,2,0,0,0,0|0,0,0]=2 4841 B9R0.35 CCOC(=O)C(C)SCC 62a_100011216346_100000210202 [0,2,0,0,0,0|0,0,0]=2 4842 B9R0.35 CCOC(=O)C(C)SCF 62a_100011216346_100015361967 [0,2,0,0,0,0|1,0,0]=3 4843 B9R0.35 CCOC(=O)C(C)SCF 62a_100015361967_100011216346 [0,2,0,0,0,0|1,0,0]=3 4844 B9R0.35 CCOC(=O)C(F)OCC 34a_100121572206_100000760018 [0,2,0,0,0,0|0,0,0]=2 4845 B9R0.35 CCOC(=O)C(F)SCC 62a_100000210202_100000760018 [0,2,0,0,0,0|0,0,0]=2 4846 B9R0.35 CCOC(=O)C(F)SCC 62a_100000760018_100000210202 [0,2,0,0,0,0|0,0,0]=2 4847 B9R0.35 CCOC(=O)C(F)SCF 62a_100000760018_100015361967 [0,2,0,0,0,0|1,0,0]=3 4848 B9R0.35 CCOC(=O)C(F)SCF 62a_100015361967_100000760018 [0,2,0,0,0,0|1,0,0]=3 4849 B9R0.35 CCOC(=O)[C@H](C)OCC 7a_100000751109_100000210202 [0,2,0,0,0,0|0,0,0]=2 4850 B9R0.35 CCOC(=O)[C@H](C)OCF 7a_100000751109_100015361967 [0,2,0,0,0,0|1,0,0]=3 4851 B9R0.35 CCOC(C)C(=O)CC#N 1458a_100000739345_100011214920 [0,2,0,0,0,0|1,0,1]=4 4852 B9R0.35 CCOC(C)C(=O)CCF 1458a_100000739345_100011217306 [0,2,0,0,0,0|1,0,0]=3 4853 B9R0.35 CCOC(C)C(=O)CCO 1458a_100000739345_100000211926 [0,2,0,0,0,0|1,0,0]=3 4854 B9R0.35 CCOC(C)C(=O)NNC 22a_100016993582_100000739345 [0,2,0,0,0,0|2,0,0]=4 4855 B9R0.35 CCSC(C)C(=O)CCF 1458a_100000230601_100011217306 [0,2,0,0,0,0|1,1,0]=4 4856 B9R0.35 CCSC(C)C(=O)CCO 1458a_100000230601_100000211926 [0,2,0,0,0,0|1,1,0]=4 4857 B9R0.35 CCSC(C)C(=O)NNC 22a_100016993582_100000230601 [0,2,0,0,0,0|2,0,0]=4 4858 B9R0.35 CN(CCO)C(=O)CCO 240690a_100000210263_100011216618 [0,2,0,0,0,0|2,0,0]=4 4859 B9R0.35 CNNC(=O)C(C)COC 22a_100016993582_100000751857 [0,2,0,0,0,0|2,0,0]=4 4860 B9R0.35 CNNC(=O)C(C)CSC 22a_100016993582_100000753918 [0,2,0,0,0,0|2,0,0]=4 4861 B9R0.35 COCC(=O)C(C)CCO 1458a_100000210968_100009893172 [0,2,0,0,0,0|2,0,0]=4 4862 B9R0.35 COCC(=O)C(C)COC 1458a_100000210968_100000765312 [0,2,0,0,0,0|2,0,0]=4 4863 B9R0.35 COCC(=O)N(C)CCO 240690a_100000210263_100000210968 [0,2,0,0,0,0|2,0,0]=4 4864 B9R0.35 COCC(=O)N(C)CCO 527a_100000210263_100000210968 [0,2,0,0,0,0|2,0,0]=4 4865 B9R0.35 COCC(C)C(=O)CCF 1458a_100000751857_100011217306 [0,2,0,0,0,0|2,0,0]=4 4866 B9R0.35 COCC(C)C(=O)CCO 1458a_100000751857_100000211926 [0,2,0,0,0,0|2,0,0]=4 4867 B9R0.35 COCC(C)C(=O)CCO 1458a_100011216618_100000765312 [0,2,0,0,0,0|2,0,0]=4 4868 B9R0.35 COCC(C)C(=O)CSC 1458a_100000184570_100000765312 [0,2,0,0,0,0|2,0,0]=4 4869 B9R0.35 CSCC(=O)C(C)CCO 1458a_100000184570_100009893172 [0,2,0,0,0,0|2,0,0]=4 4870 B9R0.35 CSCC(=O)N(C)CCO 240690a_100000210263_100000184570 [0,2,0,0,0,0|2,0,0]=4 4871 B9R0.35 CSCC(=O)N(C)CCO 527a_100000210263_100000184570 [0,2,0,0,0,0|2,0,0]=4 4872 B9R0.35 CSCC(C)C(=O)CCF 1458a_100000753918_100011217306 [0,2,0,0,0,0|2,0,0]=4 4873 B9R0.35 CSCC(C)C(=O)CCO 1458a_100000753918_100000211926 [0,2,0,0,0,0|2,0,0]=4 4874 B9R0.40 C#CC(CCC)OCCC 34a_200011217317_100000210303 [0,2,0,0,0,0|1,0,1]=4 4875 B9R0.40 C#CC(CCC)OCCC 7a_200011217317_100000210303 [0,2,0,0,0,0|1,0,1]=4 4876 B9R0.40 C#CC(CCC)OCCF 34a_200011217317_100011217306 [0,2,0,0,0,0|1,0,1]=4 4877 B9R0.40 C#CC(CCC)OCCF 7a_200011217317_100011217306 [0,2,0,0,0,0|1,0,1]=4 4878 B9R0.40 C#CC(CCC)OCCO 34a_200011217317_100000211926 [0,2,0,0,0,0|1,0,1]=4 4879 B9R0.40 C#CC(CCC)OCCO 7a_200011217317_100000211926 [0,2,0,0,0,0|1,0,1]=4 4880 B9R0.40 C#CC(CCC)OCSC 34a_200011217317_100011218213 [0,2,0,0,0,0|1,0,1]=4 4881 B9R0.40 C#CC(CCCC)OCC 34a_200011217967_100000210202 [0,2,0,0,0,0|1,0,1]=4 4882 B9R0.40 C#CC(CCCC)OCC 7a_200011217967_100000210202 [0,2,0,0,0,0|1,0,1]=4 4883 B9R0.40 C=CC(=NNCC)CCC 4a_100000756455_200011215120 [0,2,0,0,0,0|2,0,0]=4 4884 B9R0.40 C=CC(CCC)OCCC 34a_100011216692_100000210303 [0,2,0,0,0,0|1,0,1]=4 4885 B9R0.40 C=CC(CCC)OCCC 7a_100011216692_100000210303 [0,2,0,0,0,0|1,0,1]=4 4886 B9R0.40 C=CC(CCC)OCCF 34a_100011216692_100011217306 [0,2,0,0,0,0|1,0,1]=4 4887 B9R0.40 C=CC(CCC)OCCF 7a_100011216692_100011217306 [0,2,0,0,0,0|1,0,1]=4 4888 B9R0.40 C=CC(CCC)OCCO 34a_100011216692_100000211926 [0,2,0,0,0,0|1,0,1]=4 4889 B9R0.40 C=CC(CCC)OCCO 7a_100011216692_100000211926 [0,2,0,0,0,0|1,0,1]=4 4890 B9R0.40 C=CC(CCC)OCSC 34a_100011216692_100011218213 [0,2,0,0,0,0|1,0,1]=4 4891 B9R0.40 C=CC(CCCC)OCC 34a_200011215037_100000210202 [0,2,0,0,0,0|1,0,1]=4 4892 B9R0.40 C=CC(CCCC)OCC 7a_200011215037_100000210202 [0,2,0,0,0,0|1,0,1]=4 4893 B9R0.40 CCCC(=NNCC)CC 4a_100000756455_100000687865 [0,2,0,0,0,0|2,0,0]=4 4894 B9R0.40 CCCC(C#N)OCCF 34a_100000686963_100011217306 [0,2,0,0,0,0|1,0,1]=4 4895 B9R0.40 CCCC(C#N)OCCF 7a_100000686963_100011217306 [0,2,0,0,0,0|1,0,1]=4 4896 B9R0.40 CCCC(C#N)OCCO 34a_100000686963_100000211926 [0,2,0,0,0,0|1,0,1]=4 4897 B9R0.40 CCCC(C#N)OCCO 7a_100000686963_100000211926 [0,2,0,0,0,0|1,0,1]=4 4898 B9R0.40 CCCC(C#N)OCSC 34a_100000686963_100011218213 [0,2,0,0,0,0|1,0,1]=4 4899 B9R0.40 CCCC(CC)OCCF 34a_100000687864_100011217306 [0,2,0,0,0,0|1,0,1]=4 4900 B9R0.40 CCCC(CC)OCCF 7a_100000687864_100011217306 [0,2,0,0,0,0|1,0,1]=4 4901 B9R0.40 CCCC(CC)OCCO 34a_100000687864_100000211926 [0,2,0,0,0,0|1,0,1]=4 4902 B9R0.40 CCCC(CC)OCCO 7a_100000687864_100000211926 [0,2,0,0,0,0|1,0,1]=4 4903 B9R0.40 CCCC(CC)OCSC 34a_100000687864_100011218213 [0,2,0,0,0,0|1,0,1]=4 4904 B9R0.40 CCCCC(CC)OCC 34a_100011215227_100000210202 [0,2,0,0,0,0|1,0,1]=4 4905 B9R0.40 CCCCC(CC)OCC 34a_100121572206_200011216223 [0,2,0,0,0,0|1,0,1]=4 4906 B9R0.40 CCCCC(CC)OCC 7a_100011215227_100000210202 [0,2,0,0,0,0|1,0,1]=4 4907 B9R0.40 CCCN(CC)COCC 269982a_100000226822_100000739092 [0,2,0,0,0,0|2,0,0]=4 4908 B9R0.40 CCCOC(C#N)CCC 34a_100000686963_100000210303 [0,2,0,0,0,0|1,0,1]=4 4909 B9R0.40 CCCOC(C#N)CCC 7a_100000686963_100000210303 [0,2,0,0,0,0|1,0,1]=4 4910 B9R0.40 CCCOC(CC)CCC 34a_100000687864_100000210303 [0,2,0,0,0,0|1,0,1]=4 4911 B9R0.40 CCCOC(CC)CCC 7a_100000687864_100000210303 [0,2,0,0,0,0|1,0,1]=4 4912 B9R0.40 CCNCC(CC)OCC 2230a_100015183923_100000210202 [0,2,0,0,0,0|1,0,1]=4 4913 B9R0.40 CCNCC(CC)OCC 34a_100015183923_100000210202 [0,2,0,0,0,0|1,0,1]=4 4914 B9R0.40 CCOCC(CN)OCC 34a_102515437182_100000210202 [0,2,0,0,0,0|1,0,1]=4 4915 B9R0.48 C#CCC(=O)COC(C)C 1458a_100000745533_100000184674 [0,2,0,0,0,0|0,0,2]=4 4916 B9R0.48 C=C(C)CCC(=O)C#CC 1458a_100000763181_100000730704 [0,2,0,0,0,0|1,0,1]=4 4917 B9R0.48 C=C(C)CCC(=O)C=CC 1458a_100000210699_100000730704 [0,2,0,0,0,0|1,0,1]=4 4918 B9R0.48 C=C(C)CCC(=O)CCC 1458a_100000211992_100000730704 [0,2,0,0,0,0|1,0,0]=3 4919 B9R0.48 C=C(C)CCC(=O)CCC 1458a_200000688413_100000210303 [0,2,0,0,0,0|1,0,0]=3 4920 B9R0.48 C=C(C)CCC(=O)CCF 1458a_200000688413_100011217306 [0,2,0,0,0,0|2,0,0]=4 4921 B9R0.48 C=C(C)CCC(=O)CCO 1458a_100011216618_100000730704 [0,2,0,0,0,0|2,0,0]=4 4922 B9R0.48 C=C(C)CCC(=O)CCO 1458a_200000688413_100000211926 [0,2,0,0,0,0|2,0,0]=4 4923 B9R0.48 C=C(C)CCC(=O)COC 1458a_100000210968_100000730704 [0,2,0,0,0,0|2,0,0]=4 4924 B9R0.48 C=C(C)CCC(=O)CSC 1458a_100000184570_100000730704 [0,2,0,0,0,0|2,0,0]=4 4925 B9R0.48 C=C(C)CCC(=O)NCC 11a_100015525214_200000688413 [0,2,0,0,0,0|1,0,0]=3 4926 B9R0.48 C=C(C)CCC(=O)NCC 240690a_100015525214_200000688413 [0,2,0,0,0,0|1,0,0]=3 4927 B9R0.48 C=C(C)CCC(=O)NCC 527a_100015525214_200000688413 [0,2,0,0,0,0|1,0,0]=3 4928 B9R0.48 C=C(C)CCC(=O)NNC 22a_100016993582_200000688413 [0,2,0,0,0,0|2,0,0]=4 4929 B9R0.48 C=C(C)CNC(=O)CCC 11a_100000765925_100000211992 [0,2,0,0,0,0|1,0,0]=3 4930 B9R0.48 C=C(C)CNC(=O)CCC 1626a_100000765925_100000211992 [0,2,0,0,0,0|1,0,0]=3 4931 B9R0.48 C=C(C)CNC(=O)CCC 240690a_100000765925_100000211992 [0,2,0,0,0,0|1,0,0]=3 4932 B9R0.48 C=C(C)CNC(=O)CCC 527a_100000765925_100000211992 [0,2,0,0,0,0|1,0,0]=3 4933 B9R0.48 C=C(C)CNC(=O)CCO 240690a_100000765925_100011216618 [0,2,0,0,0,0|2,0,0]=4 4934 B9R0.48 C=C(C)CNC(=O)COC 11a_100000765925_100000210968 [0,2,0,0,0,0|2,0,0]=4 4935 B9R0.48 C=C(C)CNC(=O)COC 1626a_100000765925_100000210968 [0,2,0,0,0,0|2,0,0]=4 4936 B9R0.48 C=C(C)CNC(=O)COC 240690a_100000765925_100000210968 [0,2,0,0,0,0|2,0,0]=4 4937 B9R0.48 C=C(C)CNC(=O)COC 527a_100000765925_100000210968 [0,2,0,0,0,0|2,0,0]=4 4938 B9R0.48 C=C(C)CNC(=O)CSC 11a_100000765925_100000184570 [0,2,0,0,0,0|2,0,0]=4 4939 B9R0.48 C=C(C)CNC(=O)CSC 1626a_100000765925_100000184570 [0,2,0,0,0,0|2,0,0]=4 4940 B9R0.48 C=C(C)CNC(=O)CSC 240690a_100000765925_100000184570 [0,2,0,0,0,0|2,0,0]=4 4941 B9R0.48 C=C(C)CNC(=O)CSC 527a_100000765925_100000184570 [0,2,0,0,0,0|2,0,0]=4 4942 B9R0.48 C=C(C)CNC(=O)NCC 2708a_100000765925_100015525214 [0,2,0,0,0,0|1,0,1]=4 4943 B9R0.48 C=C(C)CNC(=O)NCC 2708a_100015525214_100000765925 [0,2,0,0,0,0|1,0,1]=4 4944 B9R0.48 C=C(C)CNC(=O)NCC 273464a_100000765925_100015525214 [0,2,0,0,0,0|1,0,1]=4 4945 B9R0.48 C=C(C)CNC(=O)NCC 273464a_100015525214_100000765925 [0,2,0,0,0,0|1,0,1]=4 4946 B9R0.48 C=C(C)CNC(=O)NCC 512a_100000765925_100015525214 [0,2,0,0,0,0|1,0,1]=4 4947 B9R0.48 C=C(C)CNC(=O)NCC 512a_100015525214_100000765925 [0,2,0,0,0,0|1,0,1]=4 4948 B9R0.48 C=C(C)COC(C)CCC 34a_100000210245_100000766640 [0,2,0,0,0,0|1,0,1]=4 4949 B9R0.48 C=C(C)COC(C)CCC 34a_100000764384_100000748629 [0,2,0,0,0,0|1,0,1]=4 4950 B9R0.48 C=C(C)COC(C)CCC 7a_100000764384_100000748629 [0,2,0,0,0,0|1,0,1]=4 4951 B9R0.48 C=CCC(=O)COC(C)C 1458a_100000745533_100000210623 [0,2,0,0,0,0|0,0,2]=4 4952 B9R0.48 C=COC(=O)CNC(C)C 2230a_100138425928_100000036128 [0,2,0,0,0,0|0,0,2]=4 4953 B9R0.48 C=COC(=O)CNC(C)C 34a_100138425928_100000036128 [0,2,0,0,0,0|0,0,2]=4 4954 B9R0.48 C=COC(=O)COC(C)C 34a_100000212225_100000036128 [0,2,0,0,0,0|0,0,2]=4 4955 B9R0.48 C=COC(=O)CSC(C)C 62a_100000036128_100000210206 [0,2,0,0,0,0|0,0,2]=4 4956 B9R0.48 C=COC(=O)CSC(C)C 62a_100000210206_100000036128 [0,2,0,0,0,0|0,0,2]=4 4957 B9R0.48 CC#CC(=O)CCC(C)C 1458a_100000763181_100000210312 [0,2,0,0,0,0|1,0,1]=4 4958 B9R0.48 CC#CC(=O)CCC(C)O 1458a_100000763181_100012276601 [0,2,0,0,0,0|1,0,1]=4 4959 B9R0.48 CC(=O)OCC(=O)CCF 1458a_100000183556_100011217306 [0,2,0,0,0,0|1,0,1]=4 4960 B9R0.48 CC(=O)OCC(=O)CCO 1458a_100000183556_100000211926 [0,2,0,0,0,0|1,0,1]=4 4961 B9R0.48 CC(=O)OCC(=O)CS[13CH3] 62a_100000036994_200025704644 [0,2,0,0,0,0|1,0,1]=4 4962 B9R0.48 CC(=O)OCC(=O)CS[13CH3] 62a_200025704644_100000036994 [0,2,0,0,0,0|1,0,1]=4 4963 B9R0.48 CC(C)C=CC(=O)CCF 1458a_100016268746_100011217306 [0,2,0,0,0,0|2,0,0]=4 4964 B9R0.48 CC(C)C=CC(=O)CCO 1458a_100016268746_100000211926 [0,2,0,0,0,0|2,0,0]=4 4965 B9R0.48 CC(C)CCC(=O)CCF 1458a_100000181311_100011217306 [0,2,0,0,0,0|2,0,0]=4 4966 B9R0.48 CC(C)CCC(=O)CCO 1458a_100000181311_100000211926 [0,2,0,0,0,0|2,0,0]=4 4967 B9R0.48 CC(C)CCC(=O)CCO 1458a_100011216618_100000210312 [0,2,0,0,0,0|2,0,0]=4 4968 B9R0.48 CC(C)CNC(=O)CCO 240690a_100000210953_100011216618 [0,2,0,0,0,0|2,0,0]=4 4969 B9R0.48 CC(C)CNC(=O)CS[13CH3] 62a_100000183291_200025704644 [0,2,0,0,0,0|2,0,0]=4 4970 B9R0.48 CC(C)CNC(=O)CS[13CH3] 62a_200025704644_100000183291 [0,2,0,0,0,0|2,0,0]=4 4971 B9R0.48 CC(C)NCC(=O)NCO 2230a_100138425928_100000185155 [0,2,0,0,0,0|2,0,0]=4 4972 B9R0.48 CC(C)NCC(=O)NCO 34a_100138425928_100000185155 [0,2,0,0,0,0|2,0,0]=4 4973 B9R0.48 CC(C)NNC(=O)CCO 22a_100000741168_100011216618 [0,2,0,0,0,0|2,0,0]=4 4974 B9R0.48 CC(C)OCC(=O)CC#N 1458a_100000745533_100011214920 [0,2,0,0,0,0|1,0,1]=4 4975 B9R0.48 CC(C)OCC(=O)CCF 1458a_100000745533_100011217306 [0,2,0,0,0,0|1,0,0]=3 4976 B9R0.48 CC(C)OCC(=O)CCO 1458a_100000745533_100000211926 [0,2,0,0,0,0|1,0,0]=3 4977 B9R0.48 CC(C)OCC(=O)NCO 34a_100000212225_100000185155 [0,2,0,0,0,0|2,0,0]=4 4978 B9R0.48 CC(C)SCC(=O)CCF 1458a_100000241585_100011217306 [0,2,0,0,0,0|1,1,0]=4 4979 B9R0.48 CC(C)SCC(=O)CCO 1458a_100000241585_100000211926 [0,2,0,0,0,0|1,1,0]=4 4980 B9R0.48 CC(C)SCC(=O)NCO 62a_100000185155_100000210206 [0,2,0,0,0,0|2,0,0]=4 4981 B9R0.48 CC(C)SCC(=O)NCO 62a_100000210206_100000185155 [0,2,0,0,0,0|2,0,0]=4 4982 B9R0.48 CC(O)CCC(=O)CCO 1458a_100011216618_100012276601 [0,2,0,0,0,0|2,0,0]=4 4983 B9R0.48 CC(O)CNC(=O)CCO 240690a_100000210904_100011216618 [0,2,0,0,0,0|2,0,0]=4 4984 B9R0.48 CC=CC(=O)CCC(C)C 1458a_100000210699_100000210312 [0,2,0,0,0,0|1,0,1]=4 4985 B9R0.48 CC=CC(=O)CCC(C)O 1458a_100000210699_100012276601 [0,2,0,0,0,0|1,0,1]=4 4986 B9R0.48 CC=CC(=O)NCC(C)C 11a_100000210953_100000210699 [0,2,0,0,0,0|1,0,1]=4 4987 B9R0.48 CC=CC(=O)NCC(C)C 1626a_100000210953_100000210699 [0,2,0,0,0,0|1,0,1]=4 4988 B9R0.48 CC=CC(=O)NCC(C)C 240690a_100000210953_100000210699 [0,2,0,0,0,0|1,0,1]=4 4989 B9R0.48 CC=CC(=O)NCC(C)O 11a_100000210904_100000210699 [0,2,0,0,0,0|1,0,1]=4 4990 B9R0.48 CC=CC(=O)NCC(C)O 240690a_100000210904_100000210699 [0,2,0,0,0,0|1,0,1]=4 4991 B9R0.48 CCCC(=NNC(C)C)C 4a_100000741168_100000211909 [0,2,0,0,0,0|2,0,0]=4 4992 B9R0.48 CCCC(=O)C=CC(C)C 1458a_100016268746_100000210303 [0,2,0,0,0,0|1,0,0]=3 4993 B9R0.48 CCCC(=O)CC=C(C)C 1458a_100000211992_100000761012 [0,2,0,0,0,0|1,0,1]=4 4994 B9R0.48 CCCC(=O)CC=C(C)C 1458a_100011220947_100000210303 [0,2,0,0,0,0|1,0,1]=4 4995 B9R0.48 CCCC(=O)CCC(=O)N 1458a_100011215257_100000210303 [0,2,0,0,0,0|1,0,1]=4 4996 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000181311_100000210303 [0,2,0,0,0,0|1,0,0]=3 4997 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000211992_100000210312 [0,2,0,0,0,0|1,0,0]=3 4998 B9R0.48 CCCC(=O)CCC(C)O 1458a_100000211992_100012276601 [0,2,0,0,0,0|1,0,0]=3 4999 B9R0.48 CCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210303 [0,2,0,0,0,0|2,0,0]=4 5000 B9R0.48 CCCC(=O)CC[S+](C)C 1458a_100009452791_100000210303 [0,2,0,0,0,0|1,0,0]=3 5001 B9R0.48 CCCC(=O)CNC(=O)C 1458a_100000194580_100000210303 [0,2,0,0,0,0|1,0,1]=4 5002 B9R0.48 CCCC(=O)CNC(C)C 2230a_100138425928_100000747444 [0,2,0,0,0,0|1,0,0]=3 5003 B9R0.48 CCCC(=O)COC(=O)C 1458a_100000183556_100000210303 [0,2,0,0,0,0|0,0,1]=3 5004 B9R0.48 CCCC(=O)COC(C)C 1458a_100000745533_100000210303 [0,2,0,0,0,0|0,0,0]=2 5005 B9R0.48 CCCC(=O)COC(F)F 1458a_200000719455_100000210303 [0,2,0,0,0,0|1,0,0]=3 5006 B9R0.48 CCCC(=O)CSC(=O)C 1458a_100000049016_100000210303 [0,2,0,0,0,0|0,1,1]=4 5007 B9R0.48 CCCC(=O)CSC(C)C 1458a_100000241585_100000210303 [0,2,0,0,0,0|0,1,0]=3 5008 B9R0.48 CCCC(=O)CSC(C)C 62a_100000210206_100000747444 [0,2,0,0,0,0|0,1,0]=3 5009 B9R0.48 CCCC(=O)CSC(C)C 62a_100000747444_100000210206 [0,2,0,0,0,0|0,1,0]=3 5010 B9R0.48 CCCC(=O)CSC(F)F 1458a_114828291038_100000210303 [0,2,0,0,0,0|1,1,0]=4 5011 B9R0.48 CCCC(=O)NCC(=O)N 11a_100000711301_100000211992 [0,2,0,0,0,0|1,0,1]=4 5012 B9R0.48 CCCC(=O)NCC(=O)N 240690a_100000711301_100000211992 [0,2,0,0,0,0|1,0,1]=4 5013 B9R0.48 CCCC(=O)NCC(=O)N 527a_100000711301_100000211992 [0,2,0,0,0,0|1,0,1]=4 5014 B9R0.48 CCCC(=O)NCC(C)C 11a_100000210953_100000211992 [0,2,0,0,0,0|1,0,0]=3 5015 B9R0.48 CCCC(=O)NCC(C)C 1626a_100000210953_100000211992 [0,2,0,0,0,0|1,0,0]=3 5016 B9R0.48 CCCC(=O)NCC(C)C 240690a_100000210953_100000211992 [0,2,0,0,0,0|1,0,0]=3 5017 B9R0.48 CCCC(=O)NCC(C)C 527a_100000210953_100000211992 [0,2,0,0,0,0|1,0,0]=3 5018 B9R0.48 CCCC(=O)NCC(C)O 11a_100000210904_100000211992 [0,2,0,0,0,0|1,0,0]=3 5019 B9R0.48 CCCC(=O)NCC(C)O 240690a_100000210904_100000211992 [0,2,0,0,0,0|1,0,0]=3 5020 B9R0.48 CCCC(=O)NCC(C)O 527a_100000210904_100000211992 [0,2,0,0,0,0|1,0,0]=3 5021 B9R0.48 CCCC(=O)NCC(F)F 11a_100000765723_100000211992 [0,2,0,0,0,0|1,0,0]=3 5022 B9R0.48 CCCC(=O)NCC(F)F 1626a_100000765723_100000211992 [0,2,0,0,0,0|1,0,0]=3 5023 B9R0.48 CCCC(=O)NCC(F)F 240690a_100000765723_100000211992 [0,2,0,0,0,0|1,0,0]=3 5024 B9R0.48 CCCC(=O)NCC(F)F 527a_100000765723_100000211992 [0,2,0,0,0,0|1,0,0]=3 5025 B9R0.48 CCCC(=O)NNC(=O)C 22a_100000189765_100000211992 [0,2,0,0,0,0|1,0,1]=4 5026 B9R0.48 CCCC(=O)NNC(=O)C 22a_100000189770_100000070787 [0,2,0,0,0,0|1,0,1]=4 5027 B9R0.48 CCCC(=O)NNC(C)C 22a_100000741168_100000211992 [0,2,0,0,0,0|1,0,0]=3 5028 B9R0.48 CCCC(=O)OCC(=O)C 1458a_100000070787_100000034017 [0,2,0,0,0,0|0,0,0]=2 5029 B9R0.48 CCCC(=O)OCN(C)C 2230a_100102631434_100000034017 [0,2,0,0,0,0|0,0,0]=2 5030 B9R0.48 CCCC(=O)OCN(C)C 269982a_100102631434_100000034017 [0,2,0,0,0,0|0,0,0]=2 5031 B9R0.48 CCCC(C)COC(C)C 34a_100000212225_100011216630 [0,2,0,0,0,0|1,0,1]=4 5032 B9R0.48 CCCC(C)COC(C)C 34a_100000688023_100000210206 [0,2,0,0,0,0|1,0,1]=4 5033 B9R0.48 CCCC(C)COC(C)C 7a_100000688023_100000210206 [0,2,0,0,0,0|1,0,1]=4 5034 B9R0.48 CCCC(C)OCC(=O)C 34a_100000211253_100000766640 [0,2,0,0,0,0|1,0,1]=4 5035 B9R0.48 CCCC(C)OCC(C)Br 34a_100012180447_100000766640 [0,2,0,0,0,0|1,0,1]=4 5036 B9R0.48 CCCC(C)OCC(C)C 34a_100000210257_100000766640 [0,2,0,0,0,0|1,0,1]=4 5037 B9R0.48 CCCC(C)OCC(C)C 34a_100000764384_100000210624 [0,2,0,0,0,0|1,0,1]=4 5038 B9R0.48 CCCC(C)OCC(C)C 7a_100000764384_100000210760 [0,2,0,0,0,0|1,0,1]=4 5039 B9R0.48 CCCC(C)OCC(C)F 34a_100015925927_100000766640 [0,2,0,0,0,0|1,0,1]=4 5040 B9R0.48 CCCC(C)OCC(C)O 34a_100000764384_100011218427 [0,2,0,0,0,0|1,0,1]=4 5041 B9R0.48 CCCC(C)OCC(C)O 7a_100000764384_100011218427 [0,2,0,0,0,0|1,0,1]=4 5042 B9R0.48 CCCC(C)OCC(F)F 34a_100000743014_100000766640 [0,2,0,0,0,0|1,0,1]=4 5043 B9R0.48 CCCC(C)OCC(F)F 34a_100000764384_100011934356 [0,2,0,0,0,0|1,0,1]=4 5044 B9R0.48 CCCC(C)OCC(F)F 7a_100000764384_100011934356 [0,2,0,0,0,0|1,0,1]=4 5045 B9R0.48 CCCC(C)OC[C@@H](C)Cl 34a_100016084084_100000766640 [0,2,0,0,0,0|1,0,1]=4 5046 B9R0.48 CCCC(C)OC[C@@H](C)N 34a_100000737577_100000766640 [0,2,0,0,0,0|1,0,1]=4 5047 B9R0.48 CCCC(C)OC[C@@H](C)O 34a_100000764384_100009817552 [0,2,0,0,0,0|1,0,1]=4 5048 B9R0.48 CCCC(C)OC[C@@H](C)O 7a_100000764384_100009817552 [0,2,0,0,0,0|1,0,1]=4 5049 B9R0.48 CCCN(C)COC(C)C 2230a_100000747261_100000709892 [0,2,0,0,0,0|2,0,0]=4 5050 B9R0.48 CCCN(C)COC(C)C 269982a_100000747261_100000709892 [0,2,0,0,0,0|2,0,0]=4 5051 B9R0.48 CCC[C@H](N)COC(C)C 34a_100000732646_100000210206 [0,2,0,0,0,0|1,0,1]=4 5052 B9R0.48 CCNC(=O)C=CC(C)C 11a_100015525214_100016268746 [0,2,0,0,0,0|1,0,1]=4 5053 B9R0.48 CCNC(=O)C=CC(C)C 240690a_100015525214_100016268746 [0,2,0,0,0,0|1,0,1]=4 5054 B9R0.48 CCNC(=O)CC=C(C)C 11a_100015525214_100011220947 [0,2,0,0,0,0|1,0,1]=4 5055 B9R0.48 CCNC(=O)CC=C(C)C 240690a_100015525214_100011220947 [0,2,0,0,0,0|1,0,1]=4 5056 B9R0.48 CCNC(=O)CC=C(C)C 527a_100015525214_100011220947 [0,2,0,0,0,0|1,0,1]=4 5057 B9R0.48 CCNC(=O)CCC(=O)C 1458a_100000199579_200000210301 [0,2,0,0,0,0|1,0,0]=3 5058 B9R0.48 CCNC(=O)CCC(=O)N 240690a_100015525214_100011215257 [0,2,0,0,0,0|1,0,1]=4 5059 B9R0.48 CCNC(=O)CCC(=O)N 527a_100015525214_100011215257 [0,2,0,0,0,0|1,0,1]=4 5060 B9R0.48 CCNC(=O)CCC(=O)[13CH3] 1458a_100000199579_200025704644 [0,2,0,0,0,0|1,0,0]=3 5061 B9R0.48 CCNC(=O)CCC(C)C 11a_100015525214_100000181311 [0,2,0,0,0,0|1,0,0]=3 5062 B9R0.48 CCNC(=O)CCC(C)C 240690a_100015525214_100000181311 [0,2,0,0,0,0|1,0,0]=3 5063 B9R0.48 CCNC(=O)CCC(C)C 527a_100015525214_100000181311 [0,2,0,0,0,0|1,0,0]=3 5064 B9R0.48 CCNC(=O)CCN(C)C 11a_100015525214_100000689311 [0,2,0,0,0,0|1,0,0]=3 5065 B9R0.48 CCNC(=O)CCN(C)C 2230a_100102631434_100000737597 [0,2,0,0,0,0|1,0,0]=3 5066 B9R0.48 CCNC(=O)CCN(C)C 240690a_100015525214_100000689311 [0,2,0,0,0,0|1,0,0]=3 5067 B9R0.48 CCNC(=O)CCN(C)C 269982a_100102631434_100000737597 [0,2,0,0,0,0|1,0,0]=3 5068 B9R0.48 CCNC(=O)CCN(C)C 527a_100015525214_100000689311 [0,2,0,0,0,0|1,0,0]=3 5069 B9R0.48 CCNC(=O)CC[N+](=O)[O-] 11a_100015525214_200000064761 [0,2,0,0,0,0|2,0,0]=4 5070 B9R0.48 CCNC(=O)CC[N+](=O)[O-] 240690a_100015525214_200000064761 [0,2,0,0,0,0|2,0,0]=4 5071 B9R0.48 CCNC(=O)CC[S+](C)C 11a_100015525214_100009452791 [0,2,0,0,0,0|1,0,0]=3 5072 B9R0.48 CCNC(=O)CC[S+](C)C 240690a_100015525214_100009452791 [0,2,0,0,0,0|1,0,0]=3 5073 B9R0.48 CCNC(=O)CNC(=O)C 11a_100015525214_100000194580 [0,2,0,0,0,0|1,0,1]=4 5074 B9R0.48 CCNC(=O)CNC(=O)C 11a_100016988866_100015343762 [0,2,0,0,0,0|1,0,1]=4 5075 B9R0.48 CCNC(=O)CNC(=O)C 1626a_100016988866_100015343762 [0,2,0,0,0,0|1,0,1]=4 5076 B9R0.48 CCNC(=O)CNC(=O)C 240690a_100015525214_100000194580 [0,2,0,0,0,0|1,0,1]=4 5077 B9R0.48 CCNC(=O)CNC(=O)C 240690a_100016988866_100015343762 [0,2,0,0,0,0|1,0,1]=4 5078 B9R0.48 CCNC(=O)CNC(=O)C 527a_100015525214_100000194580 [0,2,0,0,0,0|1,0,1]=4 5079 B9R0.48 CCNC(=O)CNC(=O)C 527a_100016988866_100103153847 [0,2,0,0,0,0|1,0,1]=4 5080 B9R0.48 CCNC(=O)CNC(C)C 2230a_100016988866_100000210206 [0,2,0,0,0,0|1,0,0]=3 5081 B9R0.48 CCNC(=O)CNC(C)C 2230a_100138425928_100000183381 [0,2,0,0,0,0|1,0,0]=3 5082 B9R0.48 CCNC(=O)CNC(C)C 34a_100138425928_100000183381 [0,2,0,0,0,0|1,0,0]=3 5083 B9R0.48 CCNC(=O)COC(=O)C 240690a_100015525214_100000183556 [0,2,0,0,0,0|1,0,1]=4 5084 B9R0.48 CCNC(=O)COC(=O)C 527a_100015525214_100000183556 [0,2,0,0,0,0|1,0,1]=4 5085 B9R0.48 CCNC(=O)COC(C)C 11a_100015525214_100000745533 [0,2,0,0,0,0|1,0,0]=3 5086 B9R0.48 CCNC(=O)COC(C)C 240690a_100015525214_100000745533 [0,2,0,0,0,0|1,0,0]=3 5087 B9R0.48 CCNC(=O)COC(C)C 34a_100000212225_100000183381 [0,2,0,0,0,0|1,0,0]=3 5088 B9R0.48 CCNC(=O)COC(C)C 527a_100015525214_100000745533 [0,2,0,0,0,0|1,0,0]=3 5089 B9R0.48 CCNC(=O)COC(F)F 11a_100015525214_200000719455 [0,2,0,0,0,0|2,0,0]=4 5090 B9R0.48 CCNC(=O)COC(F)F 240690a_100015525214_200000719455 [0,2,0,0,0,0|2,0,0]=4 5091 B9R0.48 CCNC(=O)COC(F)F 527a_100015525214_200000719455 [0,2,0,0,0,0|2,0,0]=4 5092 B9R0.48 CCNC(=O)CSC(=O)C 11a_100015525214_100000049016 [0,2,0,0,0,0|1,0,1]=4 5093 B9R0.48 CCNC(=O)CSC(=O)C 240690a_100015525214_100000049016 [0,2,0,0,0,0|1,0,1]=4 5094 B9R0.48 CCNC(=O)CSC(C)C 11a_100015525214_100000241585 [0,2,0,0,0,0|1,0,0]=3 5095 B9R0.48 CCNC(=O)CSC(C)C 240690a_100015525214_100000241585 [0,2,0,0,0,0|1,0,0]=3 5096 B9R0.48 CCNC(=O)CSC(C)C 527a_100015525214_100000241585 [0,2,0,0,0,0|1,0,0]=3 5097 B9R0.48 CCNC(=O)CSC(C)C 62a_100000183381_100000210206 [0,2,0,0,0,0|1,0,0]=3 5098 B9R0.48 CCNC(=O)CSC(C)C 62a_100000210206_100000183381 [0,2,0,0,0,0|1,0,0]=3 5099 B9R0.48 CCNC(=O)CSC(F)F 11a_100015525214_114828291038 [0,2,0,0,0,0|2,0,0]=4 5100 B9R0.48 CCNC(=O)CSC(F)F 240690a_100015525214_114828291038 [0,2,0,0,0,0|2,0,0]=4 5101 B9R0.48 CCNC(=O)CSC(F)F 527a_100015525214_114828291038 [0,2,0,0,0,0|2,0,0]=4 5102 B9R0.48 CCNC(=O)NCC(C)C 2708a_100000210953_100015525214 [0,2,0,0,0,0|1,0,0]=3 5103 B9R0.48 CCNC(=O)NCC(C)C 2708a_100015525214_100000210953 [0,2,0,0,0,0|1,0,0]=3 5104 B9R0.48 CCNC(=O)NCC(C)C 273464a_100000210953_100015525214 [0,2,0,0,0,0|1,0,0]=3 5105 B9R0.48 CCNC(=O)NCC(C)C 273464a_100015525214_100000210953 [0,2,0,0,0,0|1,0,0]=3 5106 B9R0.48 CCNC(=O)NCC(C)C 512a_100000210953_100015525214 [0,2,0,0,0,0|1,0,0]=3 5107 B9R0.48 CCNC(=O)NCC(C)C 512a_100015525214_100000210953 [0,2,0,0,0,0|1,0,0]=3 5108 B9R0.48 CCNC(=O)NCC(C)O 2708a_100015525214_100000210904 [0,2,0,0,0,0|1,0,0]=3 5109 B9R0.48 CCNC(=O)NCC(C)O 273464a_100000210904_100015525214 [0,2,0,0,0,0|1,0,0]=3 5110 B9R0.48 CCNC(=O)NCC(C)O 273464a_100015525214_100000210904 [0,2,0,0,0,0|1,0,0]=3 5111 B9R0.48 CCNC(=O)NCC(C)O 512a_100000210904_100015525214 [0,2,0,0,0,0|1,0,0]=3 5112 B9R0.48 CCNC(=O)NCC(C)O 512a_100015525214_100000210904 [0,2,0,0,0,0|1,0,0]=3 5113 B9R0.48 CCNC(=O)NCC(F)F 2708a_100015525214_100000765723 [0,2,0,0,0,0|2,0,0]=4 5114 B9R0.48 CCNC(=O)NCC(F)F 273464a_100000765723_100015525214 [0,2,0,0,0,0|2,0,0]=4 5115 B9R0.48 CCNC(=O)NCC(F)F 273464a_100015525214_100000765723 [0,2,0,0,0,0|2,0,0]=4 5116 B9R0.48 CCNC(=O)NCC(F)F 512a_100000765723_100015525214 [0,2,0,0,0,0|2,0,0]=4 5117 B9R0.48 CCNC(=O)NCC(F)F 512a_100015525214_100000765723 [0,2,0,0,0,0|2,0,0]=4 5118 B9R0.48 CCNC(=O)NNC(C)C 273464a_100015525214_100000741168 [0,2,0,0,0,0|2,0,0]=4 5119 B9R0.48 CCNC(=O)NNC(C)C 512a_100000741168_100015525214 [0,2,0,0,0,0|2,0,0]=4 5120 B9R0.48 CCNC(=O)NNC(C)C 512a_100015525214_100000741168 [0,2,0,0,0,0|2,0,0]=4 5121 B9R0.48 CCOC(=O)C=CC(=O)C 1458a_100000210415_200000210301 [0,2,0,0,0,0|0,0,2]=4 5122 B9R0.48 CCOC(=O)C=CC(=O)[13CH3] 1458a_100000210415_200025704644 [0,2,0,0,0,0|0,0,2]=4 5123 B9R0.48 CCOC(=O)CCC(=O)C 1458a_100000183558_200000210301 [0,2,0,0,0,0|0,0,0]=2 5124 B9R0.48 CCOC(=O)CCC(=O)[13CH3] 1458a_100000183558_200025704644 [0,2,0,0,0,0|0,0,0]=2 5125 B9R0.48 CCOC(=O)CCN(C)C 2230a_100000745921_200000210301 [0,2,0,0,0,0|0,0,0]=2 5126 B9R0.48 CCOC(=O)CCN(C)C 2230a_100102631434_100011206558 [0,2,0,0,0,0|0,0,0]=2 5127 B9R0.48 CCOC(=O)CCN(C)C 269982a_100000745921_200000210301 [0,2,0,0,0,0|0,0,0]=2 5128 B9R0.48 CCOC(=O)CCN(C)C 269982a_100102631434_100011206558 [0,2,0,0,0,0|0,0,0]=2 5129 B9R0.48 CCOC(=O)CCN(C)[13CH3] 2230a_100000745921_200025704644 [0,2,0,0,0,0|0,0,0]=2 5130 B9R0.48 CCOC(=O)CCN(C)[13CH3] 269982a_100000745921_200025704644 [0,2,0,0,0,0|0,0,0]=2 5131 B9R0.48 CCOC(=O)CNC(=O)C 188690a_100000741813_100015343762 [0,2,0,0,0,0|0,0,1]=3 5132 B9R0.48 CCOC(=O)CNC(C)C 2230a_100138425928_100000188475 [0,2,0,0,0,0|0,0,0]=2 5133 B9R0.48 CCOC(=O)CNC(C)C 34a_100138425928_100000188475 [0,2,0,0,0,0|0,0,0]=2 5134 B9R0.48 CCOC(=O)COC(C)C 34a_100000212225_100000188475 [0,2,0,0,0,0|0,0,0]=2 5135 B9R0.48 CCOC(=O)CSC(C)C 62a_100000188475_100000210206 [0,2,0,0,0,0|0,0,0]=2 5136 B9R0.48 CCOC(=O)CSC(C)C 62a_100000210206_100000188475 [0,2,0,0,0,0|0,0,0]=2 5137 B9R0.48 CCOC(=O)NCC(=O)C 1458a_100000190774_200000210301 [0,2,0,0,0,0|0,0,1]=3 5138 B9R0.48 CCOC(=O)NCC(=O)[13CH3] 1458a_100000190774_200025704644 [0,2,0,0,0,0|0,0,1]=3 5139 B9R0.48 CCOC(C)CCC(C)C 34a_100011215350_100000210202 [0,2,0,0,0,0|1,0,1]=4 5140 B9R0.48 CCOC(C)CCC(C)C 34a_100121572206_100011261404 [0,2,0,0,0,0|1,0,1]=4 5141 B9R0.48 CCOC(C)CCC(C)C 7a_100011215350_100000210202 [0,2,0,0,0,0|1,0,1]=4 5142 B9R0.48 CNCC(=O)COC(=O)C 34a_100102657272_100000036994 [0,2,0,0,0,0|1,0,1]=4 5143 B9R0.48 CNCC(=O)NCC(C)C 2230a_106832991635_100000183291 [0,2,0,0,0,0|2,0,0]=4 5144 B9R0.48 CNCC(=O)NCC(C)C 34a_100102657272_100000183291 [0,2,0,0,0,0|2,0,0]=4 5145 B9R0.48 CNCC(=O)NCC(C)C 7a_106832991635_100000183291 [0,2,0,0,0,0|2,0,0]=4 5146 B9R0.48 CNNC(=O)CCC(C)C 22a_100016993582_100000181311 [0,2,0,0,0,0|2,0,0]=4 5147 B9R0.48 CNNC(=O)CCN(C)C 22a_100016993582_100000689311 [0,2,0,0,0,0|2,0,0]=4 5148 B9R0.48 CNNC(=O)CC[S+](C)C 22a_100016993582_100009452791 [0,2,0,0,0,0|2,0,0]=4 5149 B9R0.48 CNNC(=O)COC(C)C 22a_100016993582_100000745533 [0,2,0,0,0,0|2,0,0]=4 5150 B9R0.48 CNNC(=O)CSC(C)C 22a_100016993582_100000241585 [0,2,0,0,0,0|2,0,0]=4 5151 B9R0.48 CNNC(=O)NCC(C)C 273464a_100000210953_100016993582 [0,2,0,0,0,0|2,0,0]=4 5152 B9R0.48 CNNC(=O)NCC(C)C 512a_100000210953_100016993582 [0,2,0,0,0,0|2,0,0]=4 5153 B9R0.48 CNNC(=O)NCC(C)C 512a_100016993582_100000210953 [0,2,0,0,0,0|2,0,0]=4 5154 B9R0.48 CNNC(=O)NCC(C)O 273464a_100000210904_100016993582 [0,2,0,0,0,0|2,0,0]=4 5155 B9R0.48 CNNC(=O)NCC(C)O 512a_100000210904_100016993582 [0,2,0,0,0,0|2,0,0]=4 5156 B9R0.48 CNNC(=O)NCC(C)O 512a_100016993582_100000210904 [0,2,0,0,0,0|2,0,0]=4 5157 B9R0.48 COCC(=O)CCC(C)C 1458a_100000210968_100000210312 [0,2,0,0,0,0|2,0,0]=4 5158 B9R0.48 COCC(=O)CCC(C)O 1458a_100000210968_100012276601 [0,2,0,0,0,0|2,0,0]=4 5159 B9R0.48 COCC(=O)COC(=O)C 34a_100138415774_100000036994 [0,2,0,0,0,0|1,0,1]=4 5160 B9R0.48 COCC(=O)NCC(C)C 11a_100000210953_100000210968 [0,2,0,0,0,0|2,0,0]=4 5161 B9R0.48 COCC(=O)NCC(C)C 1626a_100000210953_100000210968 [0,2,0,0,0,0|2,0,0]=4 5162 B9R0.48 COCC(=O)NCC(C)C 240690a_100000210953_100000210968 [0,2,0,0,0,0|2,0,0]=4 5163 B9R0.48 COCC(=O)NCC(C)C 34a_100138415774_100000183291 [0,2,0,0,0,0|2,0,0]=4 5164 B9R0.48 COCC(=O)NCC(C)C 527a_100000210953_100000210968 [0,2,0,0,0,0|2,0,0]=4 5165 B9R0.48 COCC(=O)NCC(C)O 11a_100000210904_100000210968 [0,2,0,0,0,0|2,0,0]=4 5166 B9R0.48 COCC(=O)NCC(C)O 240690a_100000210904_100000210968 [0,2,0,0,0,0|2,0,0]=4 5167 B9R0.48 COCC(=O)NCC(C)O 527a_100000210904_100000210968 [0,2,0,0,0,0|2,0,0]=4 5168 B9R0.48 COCC(=O)NCC(F)F 11a_100000765723_100000210968 [0,2,0,0,0,0|2,0,0]=4 5169 B9R0.48 COCC(=O)NCC(F)F 1626a_100000765723_100000210968 [0,2,0,0,0,0|2,0,0]=4 5170 B9R0.48 COCC(=O)NCC(F)F 240690a_100000765723_100000210968 [0,2,0,0,0,0|2,0,0]=4 5171 B9R0.48 COCC(=O)NCC(F)F 527a_100000765723_100000210968 [0,2,0,0,0,0|2,0,0]=4 5172 B9R0.48 COCC(=O)NNC(C)C 22a_100000741168_100000210968 [0,2,0,0,0,0|2,0,0]=4 5173 B9R0.48 CSCC(=O)CCC(C)C 1458a_100000184570_100000210312 [0,2,0,0,0,0|2,0,0]=4 5174 B9R0.48 CSCC(=O)CCC(C)O 1458a_100000184570_100012276601 [0,2,0,0,0,0|2,0,0]=4 5175 B9R0.48 CSCC(=O)COC(=O)C 62a_100000036994_200000210301 [0,2,0,0,0,0|1,0,1]=4 5176 B9R0.48 CSCC(=O)COC(=O)C 62a_200000210301_100000036994 [0,2,0,0,0,0|1,0,1]=4 5177 B9R0.48 CSCC(=O)NCC(C)C 11a_100000210953_100000184570 [0,2,0,0,0,0|2,0,0]=4 5178 B9R0.48 CSCC(=O)NCC(C)C 1626a_100000210953_100000184570 [0,2,0,0,0,0|2,0,0]=4 5179 B9R0.48 CSCC(=O)NCC(C)C 240690a_100000210953_100000184570 [0,2,0,0,0,0|2,0,0]=4 5180 B9R0.48 CSCC(=O)NCC(C)C 527a_100000210953_100000184570 [0,2,0,0,0,0|2,0,0]=4 5181 B9R0.48 CSCC(=O)NCC(C)C 62a_100000183291_200000210301 [0,2,0,0,0,0|2,0,0]=4 5182 B9R0.48 CSCC(=O)NCC(C)C 62a_200000210301_100000183291 [0,2,0,0,0,0|2,0,0]=4 5183 B9R0.48 CSCC(=O)NCC(C)O 11a_100000210904_100000184570 [0,2,0,0,0,0|2,0,0]=4 5184 B9R0.48 CSCC(=O)NCC(C)O 240690a_100000210904_100000184570 [0,2,0,0,0,0|2,0,0]=4 5185 B9R0.48 CSCC(=O)NCC(C)O 527a_100000210904_100000184570 [0,2,0,0,0,0|2,0,0]=4 5186 B9R0.48 CSCC(=O)NCC(F)F 11a_100000765723_100000184570 [0,2,0,0,0,0|2,0,0]=4 5187 B9R0.48 CSCC(=O)NCC(F)F 1626a_100000765723_100000184570 [0,2,0,0,0,0|2,0,0]=4 5188 B9R0.48 CSCC(=O)NCC(F)F 240690a_100000765723_100000184570 [0,2,0,0,0,0|2,0,0]=4 5189 B9R0.48 CSCC(=O)NCC(F)F 527a_100000765723_100000184570 [0,2,0,0,0,0|2,0,0]=4 5190 B9R0.48 CSCC(=O)NNC(C)C 22a_100000741168_100000184570 [0,2,0,0,0,0|2,0,0]=4 5191 B9R0.48 C[S+](C)CCC(=O)CCF 1458a_100009452791_100011217306 [0,2,0,0,0,0|2,0,0]=4 5192 B9R0.48 C[S+](C)CCC(=O)CCO 1458a_100009452791_100000211926 [0,2,0,0,0,0|2,0,0]=4 5193 B9R0.48 O=C(CCF)COC(F)F 1458a_200000719455_100011217306 [0,2,0,0,0,0|2,0,0]=4 5194 B9R0.48 O=C(CCO)COC(F)F 1458a_200000719455_100000211926 [0,2,0,0,0,0|2,0,0]=4 5195 B9R0.48 O=C(CCO)NCC(F)F 240690a_100000765723_100011216618 [0,2,0,0,0,0|2,0,0]=4 5196 B9R0.66 CCCC(C)(C)COCC 7a_100011995695_100000210202 [0,2,0,0,0,0|1,0,1]=4 5197 B9R0.66 CCCC(C)(C)OCCF 7a_100000748436_100011217306 [0,2,0,0,0,0|1,0,1]=4 5198 B9R0.66 CCCC(C)(C)OCCO 7a_100000748436_100000211926 [0,2,0,0,0,0|1,0,1]=4 5199 B9R0.66 CCCCC(C)(C)OCC 7a_100011219641_100000210202 [0,2,0,0,0,0|1,0,1]=4 5200 B9R0.66 CCCCS(=O)(=O)NCC 270084a_100015525214_100000212082 [0,2,0,0,0,0|2,0,0]=4 5201 B9R0.66 CCCCS(=O)(=O)NCC 274078a_100015525214_100000212082 [0,2,0,0,0,0|2,0,0]=4 5202 B9R0.66 CCCCS(=O)(=O)NCC 40a_100015525214_100000054263 [0,2,0,0,0,0|2,0,0]=4 5203 B9R0.66 CCCNS(=O)(=O)CCC 270084a_100020643023_100000211391 [0,2,0,0,0,0|2,0,0]=4 5204 B9R0.66 CCCNS(=O)(=O)CCC 274078a_100020643023_100000211391 [0,2,0,0,0,0|2,0,0]=4 5205 B9R0.66 CCCNS(=O)(=O)CCC 40a_100020643023_100000054278 [0,2,0,0,0,0|2,0,0]=4 5206 B9R0.66 CCCOC(C)(C)CCC 7a_100000748436_100000210303 [0,2,0,0,0,0|1,0,1]=4 5207 B9R0.66 CCCS(=O)(=O)NCCF 270084a_100000724931_100000211391 [0,2,0,0,0,0|2,0,0]=4 5208 B9R0.66 CCCS(=O)(=O)NCCF 274078a_100000724931_100000211391 [0,2,0,0,0,0|2,0,0]=4 5209 B9R0.66 CCCS(=O)(=O)NCCF 40a_100000724931_100000054278 [0,2,0,0,0,0|2,0,0]=4 5210 B9R0.66 CCCS(=O)(=O)NCCO 270084a_100000210304_100000211391 [0,2,0,0,0,0|2,0,0]=4 5211 B9R0.66 CCCS(=O)(=O)NCCO 274078a_100000210304_100000211391 [0,2,0,0,0,0|2,0,0]=4 5212 B9R0.66 CCCS(=O)(=O)NCCO 40a_100000210304_100000054278 [0,2,0,0,0,0|2,0,0]=4 5213 B9R0.66 CCCS(=O)(=O)NNCC 40a_100000756455_100000054278 [0,2,0,0,0,0|2,0,0]=4 5214 B9R0.66 CCNS(=O)(=O)CCCCl 270084a_100015525214_100000211827 [0,2,0,0,0,0|2,0,0]=4 5215 B9R0.66 CCNS(=O)(=O)CCCF 270084a_100015525214_200000759752 [0,2,0,0,0,0|2,0,0]=4 5216 B9R0.66 CCNS(=O)(=O)CCCF 274078a_100015525214_200000759752 [0,2,0,0,0,0|2,0,0]=4 5217 B9R0.66 CCNS(=O)(=O)CCOC 270084a_100015525214_100000745348 [0,2,0,0,0,0|2,0,0]=4 5218 B9R0.66 CCNS(=O)(=O)CCOC 274078a_100015525214_100000745348 [0,2,0,0,0,0|2,0,0]=4 5219 B9R0.66 CCOC(C)(C)CCCBr 7a_100009888830_100000210202 [0,2,0,0,0,0|1,0,1]=4 5220 B9R0.66 CCO[Si](C)(C)CSCC 62a_100000210202_200000065227 [0,2,0,0,0,0|1,1,0]=4 5221 B9R0.66 CCO[Si](C)(C)CSCC 62a_200000065227_100000210202 [0,2,0,0,0,0|1,1,0]=4 5222 B9R0.6 CC(C)C(C)C(=O)CCF 1458a_100000755409_100011217306 [0,2,0,0,0,0|2,0,0]=4 5223 B9R0.6 CC(C)C(C)C(=O)CCO 1458a_100000755409_100000211926 [0,2,0,0,0,0|2,0,0]=4 5224 B9R0.6 CC(C)N(C)C(=O)CCO 240690a_200000211004_100011216618 [0,2,0,0,0,0|2,0,0]=4 5225 B9R0.6 CC(C)N(C)C(=O)CS[13CH3] 62a_100000230190_200025704644 [0,2,0,0,0,0|2,0,0]=4 5226 B9R0.6 CC(C)N(C)C(=O)CS[13CH3] 62a_200025704644_100000230190 [0,2,0,0,0,0|2,0,0]=4 5227 B9R0.6 CC(C)[C@@H](O)C(=O)CCF 1458a_100000691806_100011217306 [0,2,0,0,0,0|2,0,0]=4 5228 B9R0.6 CC(C)[C@@H](O)C(=O)CCO 1458a_100000691806_100000211926 [0,2,0,0,0,0|2,0,0]=4 5229 B9R0.6 CCCC(=O)C(=O)N(C)C 1458a_100011218876_100000210303 [0,2,0,0,0,0|2,0,0]=4 5230 B9R0.6 CCCC(=O)C(C)C(=O)C 1458a_100000211992_100000179758 [0,2,0,0,0,0|1,0,1]=4 5231 B9R0.6 CCCC(=O)C(C)C(C)C 1458a_100000755409_100000210303 [0,2,0,0,0,0|1,0,0]=3 5232 B9R0.6 CCCC(=O)N(C)C(C)C 11a_200000211004_100000211992 [0,2,0,0,0,0|1,0,0]=3 5233 B9R0.6 CCCC(=O)N(C)C(C)C 1626a_200000211004_100000211992 [0,2,0,0,0,0|1,0,0]=3 5234 B9R0.6 CCCC(=O)N(C)C(C)C 240690a_200000211004_100000211992 [0,2,0,0,0,0|1,0,0]=3 5235 B9R0.6 CCCC(=O)N(C)C(C)C 527a_200000211004_100000211992 [0,2,0,0,0,0|1,0,0]=3 5236 B9R0.6 CCCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000210303 [0,2,0,0,0,0|2,0,0]=4 5237 B9R0.6 CCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210303 [0,2,0,0,0,0|1,0,0]=3 5238 B9R0.6 CCNC(=O)C(=O)C(C)C 1458a_200011297158_100000210206 [0,2,0,0,0,0|1,0,1]=4 5239 B9R0.6 CCNC(=O)C(C)C(=O)C 1458a_100000070787_100000230173 [0,2,0,0,0,0|1,0,1]=4 5240 B9R0.6 CCNC(=O)C(C)C(C)C 11a_100015525214_100000755409 [0,2,0,0,0,0|1,0,0]=3 5241 B9R0.6 CCNC(=O)C(C)C(C)C 240690a_100015525214_100000755409 [0,2,0,0,0,0|1,0,0]=3 5242 B9R0.6 CCNC(=O)C(C)C(C)C 527a_100015525214_100000755409 [0,2,0,0,0,0|1,0,0]=3 5243 B9R0.6 CCNC(=O)C(C)N(C)C 2230a_100102631434_100000230173 [0,2,0,0,0,0|2,0,0]=4 5244 B9R0.6 CCNC(=O)C(C)N(C)C 269982a_100102631434_100000230173 [0,2,0,0,0,0|2,0,0]=4 5245 B9R0.6 CCNC(=O)N(C)C(C)C 2708a_100015525214_200000211004 [0,2,0,0,0,0|2,0,0]=4 5246 B9R0.6 CCNC(=O)N(C)C(C)C 273464a_100015525214_200000211004 [0,2,0,0,0,0|2,0,0]=4 5247 B9R0.6 CCNC(=O)[C@H](C)N(C)C 240690a_100015525214_100009822176 [0,2,0,0,0,0|2,0,0]=4 5248 B9R0.6 CCNC(=O)[C@H](C)N(C)C 527a_100015525214_100009822176 [0,2,0,0,0,0|2,0,0]=4 5249 B9R0.6 CCNC(=O)[C@H](O)C(C)C 240690a_100015525214_100000691806 [0,2,0,0,0,0|1,0,0]=3 5250 B9R0.6 CCOC(=O)C(=O)N(C)C 11a_100102631434_100014798877 [0,2,0,0,0,0|1,0,1]=4 5251 B9R0.6 CCOC(=O)C(=O)N(C)C 1626a_100102631434_100014798877 [0,2,0,0,0,0|1,0,1]=4 5252 B9R0.6 CCOC(=O)C(=O)N(C)C 240690a_100102631434_100014798877 [0,2,0,0,0,0|1,0,1]=4 5253 B9R0.6 CCOC(=O)C(C)C(=O)C 1458a_100000070787_100011216346 [0,2,0,0,0,0|0,0,1]=3 5254 B9R0.6 CCOC(=O)C(C)C(=O)C 1458a_100132301724_200000210301 [0,2,0,0,0,0|0,0,1]=3 5255 B9R0.6 CCOC(=O)C(C)C(=O)[13CH3] 1458a_100132301724_200025704644 [0,2,0,0,0,0|0,0,1]=3 5256 B9R0.6 CCOC(=O)C(C)N(C)C 2230a_100102631434_100011215307 [0,2,0,0,0,0|1,0,0]=3 5257 B9R0.6 CCOC(=O)C(C)N(C)C 269982a_100102631434_100011216346 [0,2,0,0,0,0|1,0,0]=3 5258 B9R0.6 CCOC(=O)C(F)C(=O)C 1458a_100000070787_100000760018 [0,2,0,0,0,0|0,0,1]=3 5259 B9R0.6 CCOC(=O)C(F)N(C)C 2230a_100102631434_100000760018 [0,2,0,0,0,0|1,0,0]=3 5260 B9R0.6 CCOC(=O)C(F)N(C)C 269982a_100102631434_100000760018 [0,2,0,0,0,0|1,0,0]=3 5261 B9R0.6 CNCC(=O)N(C)C(C)C 2230a_106832991635_100000230190 [0,2,0,0,0,0|2,0,0]=4 5262 B9R0.6 CNCC(=O)N(C)C(C)C 34a_100102657272_100000230190 [0,2,0,0,0,0|2,0,0]=4 5263 B9R0.6 CNCC(=O)N(C)C(C)C 7a_106832991635_100000230190 [0,2,0,0,0,0|2,0,0]=4 5264 B9R0.6 CNNC(=O)C(C)C(C)C 22a_100016993582_100000755409 [0,2,0,0,0,0|2,0,0]=4 5265 B9R0.6 CNNC(=O)[C@H](O)C(C)C 22a_100016993582_100000691806 [0,2,0,0,0,0|2,0,0]=4 5266 B9R0.6 COCC(=O)N(C)C(C)C 11a_200000211004_100000210968 [0,2,0,0,0,0|2,0,0]=4 5267 B9R0.6 COCC(=O)N(C)C(C)C 1626a_200000211004_100000210968 [0,2,0,0,0,0|2,0,0]=4 5268 B9R0.6 COCC(=O)N(C)C(C)C 240690a_200000211004_100000210968 [0,2,0,0,0,0|2,0,0]=4 5269 B9R0.6 COCC(=O)N(C)C(C)C 34a_100138415774_100000230190 [0,2,0,0,0,0|2,0,0]=4 5270 B9R0.6 COCC(=O)N(C)C(C)C 527a_200000211004_100000210968 [0,2,0,0,0,0|2,0,0]=4 5271 B9R0.6 CSCC(=O)N(C)C(C)C 11a_200000211004_100000184570 [0,2,0,0,0,0|2,0,0]=4 5272 B9R0.6 CSCC(=O)N(C)C(C)C 1626a_200000211004_100000184570 [0,2,0,0,0,0|2,0,0]=4 5273 B9R0.6 CSCC(=O)N(C)C(C)C 240690a_200000211004_100000184570 [0,2,0,0,0,0|2,0,0]=4 5274 B9R0.6 CSCC(=O)N(C)C(C)C 527a_200000211004_100000184570 [0,2,0,0,0,0|2,0,0]=4 5275 B9R0.6 CSCC(=O)N(C)C(C)C 62a_100000230190_200000210301 [0,2,0,0,0,0|2,0,0]=4 5276 B9R0.6 CSCC(=O)N(C)C(C)C 62a_200000210301_100000230190 [0,2,0,0,0,0|2,0,0]=4 5277 B9R0.19 CCC(C)(C)C(=O)CCF 1458a_100000749717_100011217306 [0,2,0,0,0,0|2,0,0]=4 5278 B9R0.19 CCC(C)(C)C(=O)CCO 1458a_100000749717_100000211926 [0,2,0,0,0,0|2,0,0]=4 5279 B9R0.19 CCC(C)(C)C(=O)NNC 22a_100016993582_100000749717 [0,2,0,0,0,0|2,0,0]=4 5280 B9R0.19 CCC(C)(O)C(=O)CCF 1458a_100011219770_100011217306 [0,2,0,0,0,0|2,0,0]=4 5281 B9R0.19 CCC(C)(O)C(=O)CCO 1458a_100011219770_100000211926 [0,2,0,0,0,0|2,0,0]=4 5282 B9R0.19 CCC(C)(O)C(=O)NNC 22a_100016993582_100011219770 [0,2,0,0,0,0|2,0,0]=4 5283 B9R0.19 CCC(F)(F)C(=O)CCF 1458a_100000061896_100011217306 [0,2,0,0,0,0|2,0,0]=4 5284 B9R0.19 CCC(F)(F)C(=O)CCO 1458a_100000061896_100000211926 [0,2,0,0,0,0|2,0,0]=4 5285 B9R0.19 CCC(F)(F)C(=O)NNC 22a_100016993582_100000061896 [0,2,0,0,0,0|2,0,0]=4 5286 B9R0.19 CCCC(=O)C(C)(C)CC 1458a_100000749717_100000210303 [0,2,0,0,0,0|1,0,0]=3 5287 B9R0.19 CCCC(=O)C(C)(C)CF 1458a_100000138116_100000210303 [0,2,0,0,0,0|2,0,0]=4 5288 B9R0.19 CCCC(=O)C(C)(C)CO 1458a_100000749806_100000210303 [0,2,0,0,0,0|2,0,0]=4 5289 B9R0.19 CCCC(=O)C(C)(C)OC 1458a_100000753492_100000210303 [0,2,0,0,0,0|2,0,0]=4 5290 B9R0.19 CCCC(=O)C(C)(O)CC 1458a_100011219770_100000210303 [0,2,0,0,0,0|1,0,0]=3 5291 B9R0.19 CCCC(=O)C(F)(F)CC 1458a_100000061896_100000210303 [0,2,0,0,0,0|1,0,0]=3 5292 B9R0.19 CCNC(=O)C(C)(C)CC 11a_100015525214_100000749717 [0,2,0,0,0,0|1,0,0]=3 5293 B9R0.19 CCNC(=O)C(C)(C)CC 240690a_100015525214_100000749717 [0,2,0,0,0,0|1,0,0]=3 5294 B9R0.19 CCNC(=O)C(C)(C)CC 527a_100015525214_100000749717 [0,2,0,0,0,0|1,0,0]=3 5295 B9R0.19 CCNC(=O)C(C)(C)CF 11a_100015525214_100000138116 [0,2,0,0,0,0|2,0,0]=4 5296 B9R0.19 CCNC(=O)C(C)(C)CF 240690a_100015525214_100000138116 [0,2,0,0,0,0|2,0,0]=4 5297 B9R0.19 CCNC(=O)C(C)(C)CF 527a_100015525214_100000138116 [0,2,0,0,0,0|2,0,0]=4 5298 B9R0.19 CCNC(=O)C(C)(C)CO 240690a_100015525214_100000749806 [0,2,0,0,0,0|2,0,0]=4 5299 B9R0.19 CCNC(=O)C(C)(C)CO 527a_100015525214_100000749806 [0,2,0,0,0,0|2,0,0]=4 5300 B9R0.19 CCNC(=O)C(C)(C)OC 11a_100015525214_100000753492 [0,2,0,0,0,0|2,0,0]=4 5301 B9R0.19 CCNC(=O)C(C)(C)OC 240690a_100015525214_100000753492 [0,2,0,0,0,0|2,0,0]=4 5302 B9R0.19 CCNC(=O)C(C)(C)OC 527a_100015525214_100000753492 [0,2,0,0,0,0|2,0,0]=4 5303 B9R0.19 CCNC(=O)C(C)(O)CC 240690a_100015525214_100011219770 [0,2,0,0,0,0|1,0,0]=3 5304 B9R0.19 CCNC(=O)C(F)(F)CC 11a_100015525214_100000061896 [0,2,0,0,0,0|1,0,0]=3 5305 B9R0.19 CCNC(=O)C(F)(F)CC 240690a_100015525214_100000061896 [0,2,0,0,0,0|1,0,0]=3 5306 B9R0.19 CCNC(=O)C(F)(F)CC 527a_100015525214_100000061896 [0,2,0,0,0,0|1,0,0]=3 5307 B9R0.19 CCOC(=O)C(C)(C)NC 2230a_106832991635_100011216345 [0,2,0,0,0,0|1,0,0]=3 5308 B9R0.19 CCOC(=O)C(C)(C)NC 7a_106832991635_100011216345 [0,2,0,0,0,0|1,0,0]=3 5309 B9R0.19 CCOC(=O)C(C)(C)OC 34a_100000686869_200000210301 [0,2,0,0,0,0|1,0,0]=3 5310 B9R0.19 CCOC(=O)C(C)(C)OC 7a_100000686869_200000210301 [0,2,0,0,0,0|1,0,0]=3 5311 B9R0.19 CCOC(=O)C(C)(C)O[13CH3] 34a_100000686869_200025704644 [0,2,0,0,0,0|1,0,0]=3 5312 B9R0.19 CCOC(=O)C(C)(C)O[13CH3] 7a_100000686869_200025704644 [0,2,0,0,0,0|1,0,0]=3 5313 B9R0.19 CCOC(=O)C(C)(C)SC 62a_100011216345_200000210301 [0,2,0,0,0,0|1,0,0]=3 5314 B9R0.19 CCOC(=O)C(C)(C)SC 62a_200000210301_100011216345 [0,2,0,0,0,0|1,0,0]=3 5315 B9R0.19 CCOC(=O)C(C)(C)S[13CH3] 62a_100011216345_200025704644 [0,2,0,0,0,0|1,0,0]=3 5316 B9R0.19 CCOC(=O)C(C)(C)S[13CH3] 62a_200025704644_100011216345 [0,2,0,0,0,0|1,0,0]=3 5317 B9R0.19 CCOC(=O)C(F)(F)NC 34a_100102657272_100000210910 [0,2,0,0,0,0|1,0,0]=3 5318 B9R0.19 CCOC(=O)C(F)(F)NC 7a_106832991635_100000210910 [0,2,0,0,0,0|1,0,0]=3 5319 B9R0.19 CCOC(=O)C(F)(F)OC 34a_100138415774_100000210910 [0,2,0,0,0,0|1,0,0]=3 5320 B9R0.19 CCOC(=O)C(F)(F)SC 62a_100000210910_200000210301 [0,2,0,0,0,0|1,0,0]=3 5321 B9R0.19 CCOC(=O)C(F)(F)SC 62a_200000210301_100000210910 [0,2,0,0,0,0|1,0,0]=3 5322 B9R0.19 CCOC(=O)C(F)(F)S[13CH3] 62a_100000210910_200025704644 [0,2,0,0,0,0|1,0,0]=3 5323 B9R0.19 CCOC(=O)C(F)(F)S[13CH3] 62a_200025704644_100000210910 [0,2,0,0,0,0|1,0,0]=3 5324 B9R0.23 C/C=C(\C)/C(=O)CC(C)C 1458a_100020587367_100000210624 [0,2,0,0,0,0|1,0,1]=4 5325 B9R0.23 C/C=C(\C)/C(=O)CC(C)O 1458a_100020587367_100011218427 [0,2,0,0,0,0|1,0,1]=4 5326 B9R0.23 C=C(C)CC(=O)C(C)CC 1458a_100011192722_100000748629 [0,2,0,0,0,0|1,0,1]=4 5327 B9R0.23 C=C(C)CC(=O)C(O)CC 1458a_100011196387_100000748629 [0,2,0,0,0,0|1,0,1]=4 5328 B9R0.23 CC(C)CC(=O)C(O)CO 1458a_100011215603_100000210624 [0,2,0,0,0,0|2,0,0]=4 5329 B9R0.23 CC(C)NC(=O)C(C)N[13CH3] 2230a_100015205314_200025704644 [0,2,0,0,0,0|2,0,0]=4 5330 B9R0.23 CC(C)NC(=O)C(C)N[13CH3] 34a_100015205314_200025704644 [0,2,0,0,0,0|2,0,0]=4 5331 B9R0.23 CC(C)NC(=O)C(C)S[13CH3] 62a_100000195394_200025704644 [0,2,0,0,0,0|2,0,0]=4 5332 B9R0.23 CC(C)NC(=O)C(C)S[13CH3] 62a_200025704644_100000195394 [0,2,0,0,0,0|2,0,0]=4 5333 B9R0.23 CC(C)NC(=O)C(O)CO 240690a_100138425928_100011215603 [0,2,0,0,0,0|2,0,0]=4 5334 B9R0.23 CC(C)OC(=O)[C@@H](C)O[13CH3] 34a_100015307928_200025704644 [0,2,0,0,0,0|1,0,0]=3 5335 B9R0.23 CC(C)OC(=O)[C@@H](C)O[13CH3] 7a_100015307928_200025704644 [0,2,0,0,0,0|1,0,0]=3 5336 B9R0.23 CC(O)CC(=O)C(O)CO 1458a_100011215603_100011218427 [0,2,0,0,0,0|2,0,0]=4 5337 B9R0.23 CCC(=O)C(=O)NC(C)C 1458a_100011220036_100000210202 [0,2,0,0,0,0|1,0,1]=4 5338 B9R0.23 CCC(C)C(=O)C=C(C)C 1458a_100000211388_100000758301 [0,2,0,0,0,0|1,0,1]=4 5339 B9R0.23 CCC(C)C(=O)C=C(C)Cl 1458a_200042562850_100000758301 [0,2,0,0,0,0|1,0,1]=4 5340 B9R0.23 CCC(C)C(=O)C=C(C)I 1458a_100025716642_100000758301 [0,2,0,0,0,0|1,0,1]=4 5341 B9R0.23 CCC(C)C(=O)CC(C)C 1458a_100000210554_100000758301 [0,2,0,0,0,0|1,0,0]=3 5342 B9R0.23 CCC(C)C(=O)CC(C)C 1458a_100011192722_100000210624 [0,2,0,0,0,0|1,0,0]=3 5343 B9R0.23 CCC(C)C(=O)CC(C)O 1458a_100011192722_100011218427 [0,2,0,0,0,0|1,0,0]=3 5344 B9R0.23 CCC(C)C(=O)CC(F)F 1458a_100011192722_100011934356 [0,2,0,0,0,0|2,0,0]=4 5345 B9R0.23 CCC(C)C(=O)CN(C)C 1458a_100000750896_100000758301 [0,2,0,0,0,0|2,0,0]=4 5346 B9R0.23 CCC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000758301 [0,2,0,0,0,0|1,0,0]=3 5347 B9R0.23 CCC(C)C(=O)C[S+](C)C 1458a_200159257847_100000758301 [0,2,0,0,0,0|2,0,0]=4 5348 B9R0.23 CCC(C)C(=O)NC(C)C 11a_100138425928_100011192722 [0,2,0,0,0,0|1,0,0]=3 5349 B9R0.23 CCC(C)C(=O)NC(C)C 1626a_100138425928_100011192722 [0,2,0,0,0,0|1,0,0]=3 5350 B9R0.23 CCC(C)C(=O)NC(C)C 240690a_100138425928_100011192722 [0,2,0,0,0,0|1,0,0]=3 5351 B9R0.23 CCC(C)C(=O)NC(C)C 527a_100138425928_100011192722 [0,2,0,0,0,0|1,0,0]=3 5352 B9R0.23 CCC(C)C(C)OC(C)C 7a_100011215189_100000210206 [0,2,0,0,0,0|1,0,1]=4 5353 B9R0.23 CCC(O)C(=O)CC(C)C 1458a_100011196387_100000210624 [0,2,0,0,0,0|1,0,0]=3 5354 B9R0.23 CCC(O)C(=O)CC(C)O 1458a_100011196387_100011218427 [0,2,0,0,0,0|1,0,0]=3 5355 B9R0.23 CCC(O)C(=O)CC(F)F 1458a_100011196387_100011934356 [0,2,0,0,0,0|2,0,0]=4 5356 B9R0.23 CCC(O)C(=O)NC(C)C 240690a_100138425928_100011196387 [0,2,0,0,0,0|1,0,0]=3 5357 B9R0.23 CCN(C)C(=O)CC(=O)C 1458a_100000070787_100011894763 [0,2,0,0,0,0|1,0,1]=4 5358 B9R0.23 CCN(C)C(=O)CC(C)C 11a_100000225621_100000210554 [0,2,0,0,0,0|1,0,0]=3 5359 B9R0.23 CCN(C)C(=O)CC(C)C 1626a_100000225621_100000210554 [0,2,0,0,0,0|1,0,0]=3 5360 B9R0.23 CCN(C)C(=O)CC(C)C 240690a_100000225621_100000210554 [0,2,0,0,0,0|1,0,0]=3 5361 B9R0.23 CCN(C)C(=O)CC(C)C 527a_100000225621_100000210554 [0,2,0,0,0,0|1,0,0]=3 5362 B9R0.23 CCN(C)C(=O)CN(C)C 11a_100000225621_100000750896 [0,2,0,0,0,0|2,0,0]=4 5363 B9R0.23 CCN(C)C(=O)CN(C)C 2230a_100102631434_100000738999 [0,2,0,0,0,0|2,0,0]=4 5364 B9R0.23 CCN(C)C(=O)CN(C)C 240690a_100000225621_100000750896 [0,2,0,0,0,0|2,0,0]=4 5365 B9R0.23 CCN(C)C(=O)CN(C)C 269982a_100102631434_100000738999 [0,2,0,0,0,0|2,0,0]=4 5366 B9R0.23 CCN(C)C(=O)CN(C)C 527a_100000225621_100000750896 [0,2,0,0,0,0|2,0,0]=4 5367 B9R0.23 CCN(C)C(=O)C[C@@H](C)O 240690a_100000225621_100011933948 [0,2,0,0,0,0|1,0,0]=3 5368 B9R0.23 CCN(C)C(=O)C[S+](C)C 11a_100000225621_200159257847 [0,2,0,0,0,0|2,0,0]=4 5369 B9R0.23 CCN(C)C(=O)C[S+](C)C 1626a_100000225621_200159257847 [0,2,0,0,0,0|2,0,0]=4 5370 B9R0.23 CCN(C)C(=O)C[S+](C)C 240690a_100000225621_200159257847 [0,2,0,0,0,0|2,0,0]=4 5371 B9R0.23 CCN(C)C(=O)C[S+](C)C 527a_100000225621_200159257847 [0,2,0,0,0,0|2,0,0]=4 5372 B9R0.23 CCN(C)C(=O)NC(C)C 2708a_100138425928_100000225621 [0,2,0,0,0,0|2,0,0]=4 5373 B9R0.23 CCN(C)C(=O)NC(C)C 273464a_100138425928_100000225621 [0,2,0,0,0,0|2,0,0]=4 5374 B9R0.23 CNC(=O)C(=O)CC(C)C 1458a_100011218921_100000210624 [0,2,0,0,0,0|2,0,0]=4 5375 B9R0.23 CNC(=O)C(=O)CC(C)O 1458a_100011218921_100011218427 [0,2,0,0,0,0|2,0,0]=4 5376 B9R0.23 CNC(C)C(=O)NC(C)C 2230a_100015205314_200000210301 [0,2,0,0,0,0|2,0,0]=4 5377 B9R0.23 CNC(C)C(=O)NC(C)C 2230a_106832991635_100000195394 [0,2,0,0,0,0|2,0,0]=4 5378 B9R0.23 CNC(C)C(=O)NC(C)C 34a_100015205314_200000210301 [0,2,0,0,0,0|2,0,0]=4 5379 B9R0.23 CNC(C)C(=O)NC(C)C 34a_100102657272_100000195394 [0,2,0,0,0,0|2,0,0]=4 5380 B9R0.23 CNC(C)C(=O)NC(C)C 7a_106832991635_100000195394 [0,2,0,0,0,0|2,0,0]=4 5381 B9R0.23 COC(C)C(=O)CC(C)C 1458a_100000743197_100000210624 [0,2,0,0,0,0|2,0,0]=4 5382 B9R0.23 COC(C)C(=O)CC(C)O 1458a_100000743197_100011218427 [0,2,0,0,0,0|2,0,0]=4 5383 B9R0.23 COC(C)C(=O)NC(C)C 11a_100138425928_100000743197 [0,2,0,0,0,0|2,0,0]=4 5384 B9R0.23 COC(C)C(=O)NC(C)C 1626a_100138425928_100000743197 [0,2,0,0,0,0|2,0,0]=4 5385 B9R0.23 COC(C)C(=O)NC(C)C 240690a_100138425928_100000743197 [0,2,0,0,0,0|2,0,0]=4 5386 B9R0.23 COC(C)C(=O)NC(C)C 34a_100138415774_100000195394 [0,2,0,0,0,0|2,0,0]=4 5387 B9R0.23 COC(C)C(=O)NC(C)C 527a_100138425928_100000743197 [0,2,0,0,0,0|2,0,0]=4 5388 B9R0.23 CO[C@H](C)C(=O)OC(C)C 34a_100015307928_200000210301 [0,2,0,0,0,0|1,0,0]=3 5389 B9R0.23 CO[C@H](C)C(=O)OC(C)C 7a_100015307928_200000210301 [0,2,0,0,0,0|1,0,0]=3 5390 B9R0.23 CSC(C)C(=O)CC(C)C 1458a_100000149566_100000210624 [0,2,0,0,0,0|2,0,0]=4 5391 B9R0.23 CSC(C)C(=O)CC(C)O 1458a_100000149566_100011218427 [0,2,0,0,0,0|2,0,0]=4 5392 B9R0.23 CSC(C)C(=O)NC(C)C 11a_100138425928_100000149566 [0,2,0,0,0,0|2,0,0]=4 5393 B9R0.23 CSC(C)C(=O)NC(C)C 1626a_100138425928_100000149566 [0,2,0,0,0,0|2,0,0]=4 5394 B9R0.23 CSC(C)C(=O)NC(C)C 240690a_100138425928_100000149566 [0,2,0,0,0,0|2,0,0]=4 5395 B9R0.23 CSC(C)C(=O)NC(C)C 527a_100138425928_100000149566 [0,2,0,0,0,0|2,0,0]=4 5396 B9R0.23 CSC(C)C(=O)NC(C)C 62a_100000195394_200000210301 [0,2,0,0,0,0|2,0,0]=4 5397 B9R0.23 CSC(C)C(=O)NC(C)C 62a_200000210301_100000195394 [0,2,0,0,0,0|2,0,0]=4 5398 B9R0.27 C/C=C(\C)/C(=O)C(C)CC 1458a_100020587367_100000758301 [0,2,0,0,0,0|1,0,1]=4 5399 B9R0.27 CCC(C)C(=O)C(=O)NC 1458a_100011218921_100000758301 [0,2,0,0,0,0|2,0,0]=4 5400 B9R0.27 CCC(C)C(=O)C(C)CC 1458a_100011192722_100000758301 [0,2,0,0,0,0|1,0,0]=3 5401 B9R0.27 CCC(C)C(=O)C(C)OC 1458a_100000743197_100000758301 [0,2,0,0,0,0|2,0,0]=4 5402 B9R0.27 CCC(C)C(=O)C(C)SC 1458a_100000149566_100000758301 [0,2,0,0,0,0|2,0,0]=4 5403 B9R0.27 CCC(C)C(=O)C(O)CC 1458a_100011196387_100000758301 [0,2,0,0,0,0|1,0,0]=3 5404 B9R0.27 CCC(C)C(=O)C(O)CO 1458a_100011215603_100000758301 [0,2,0,0,0,0|2,0,0]=4 5405 B9R0.27 CCC(C)C(=O)N(C)CC 11a_100000225621_100011192722 [0,2,0,0,0,0|1,0,0]=3 5406 B9R0.27 CCC(C)C(=O)N(C)CC 1626a_100000225621_100011192722 [0,2,0,0,0,0|1,0,0]=3 5407 B9R0.27 CCC(C)C(=O)N(C)CC 240690a_100000225621_100011192722 [0,2,0,0,0,0|1,0,0]=3 5408 B9R0.27 CCC(C)C(=O)N(C)CC 527a_100000225621_100011192722 [0,2,0,0,0,0|1,0,0]=3 5409 B9R0.27 CCC(O)C(=O)N(C)CC 240690a_100000225621_100011196387 [0,2,0,0,0,0|1,0,0]=3 5410 B9R0.27 CCN(C)C(=O)C(C)NC 2230a_106832991635_200012002205 [0,2,0,0,0,0|2,0,0]=4 5411 B9R0.27 CCN(C)C(=O)C(C)NC 34a_100102657272_200012002205 [0,2,0,0,0,0|2,0,0]=4 5412 B9R0.27 CCN(C)C(=O)C(C)NC 7a_106832991635_200012002205 [0,2,0,0,0,0|2,0,0]=4 5413 B9R0.27 CCN(C)C(=O)C(C)OC 11a_100000225621_100000743197 [0,2,0,0,0,0|2,0,0]=4 5414 B9R0.27 CCN(C)C(=O)C(C)OC 1626a_100000225621_100000743197 [0,2,0,0,0,0|2,0,0]=4 5415 B9R0.27 CCN(C)C(=O)C(C)OC 240690a_100000225621_100000743197 [0,2,0,0,0,0|2,0,0]=4 5416 B9R0.27 CCN(C)C(=O)C(C)OC 34a_100138415774_200012002205 [0,2,0,0,0,0|2,0,0]=4 5417 B9R0.27 CCN(C)C(=O)C(C)OC 527a_100000225621_100000743197 [0,2,0,0,0,0|2,0,0]=4 5418 B9R0.27 CCN(C)C(=O)C(C)SC 11a_100000225621_100000149566 [0,2,0,0,0,0|2,0,0]=4 5419 B9R0.27 CCN(C)C(=O)C(C)SC 1626a_100000225621_100000149566 [0,2,0,0,0,0|2,0,0]=4 5420 B9R0.27 CCN(C)C(=O)C(C)SC 240690a_100000225621_100000149566 [0,2,0,0,0,0|2,0,0]=4 5421 B9R0.27 CCN(C)C(=O)C(C)SC 527a_100000225621_100000149566 [0,2,0,0,0,0|2,0,0]=4 5422 B9R0.27 CCN(C)C(=O)C(C)SC 62a_200000210301_200012002205 [0,2,0,0,0,0|2,0,0]=4 5423 B9R0.27 CCN(C)C(=O)C(C)SC 62a_200012002205_200000210301 [0,2,0,0,0,0|2,0,0]=4 5424 B9R0.27 CCN(C)C(=O)C(C)S[13CH3] 62a_200012002205_200025704644 [0,2,0,0,0,0|2,0,0]=4 5425 B9R0.27 CCN(C)C(=O)C(C)S[13CH3] 62a_200025704644_200012002205 [0,2,0,0,0,0|2,0,0]=4 5426 B9R0.27 CCN(C)C(=O)C(O)CO 240690a_100000225621_100011215603 [0,2,0,0,0,0|2,0,0]=4 5427 B9R0.37 CC#CC(=O)C(CC)CC 1458a_100000763181_100000210505 [0,2,0,0,0,0|1,0,1]=4 5428 B9R0.37 CC=CC(=O)C(CC)CC 1458a_100000210699_100000210505 [0,2,0,0,0,0|1,0,1]=4 5429 B9R0.37 CCC(CC)C(=O)CCF 1458a_100000211163_100011217306 [0,2,0,0,0,0|2,0,0]=4 5430 B9R0.37 CCC(CC)C(=O)CCO 1458a_100000211163_100000211926 [0,2,0,0,0,0|2,0,0]=4 5431 B9R0.37 CCC(CC)C(=O)CCO 1458a_100011216618_100000210505 [0,2,0,0,0,0|2,0,0]=4 5432 B9R0.37 CCC(CC)C(=O)COC 1458a_100000210968_100000210505 [0,2,0,0,0,0|2,0,0]=4 5433 B9R0.37 CCC(CC)C(=O)CSC 1458a_100000184570_100000210505 [0,2,0,0,0,0|2,0,0]=4 5434 B9R0.37 CCC(CC)C(=O)NNC 22a_100016993582_100000211163 [0,2,0,0,0,0|2,0,0]=4 5435 B9R0.37 CCC(OC)C(=O)CCF 1458a_100000747056_100011217306 [0,2,0,0,0,0|2,0,0]=4 5436 B9R0.37 CCC(OC)C(=O)CCO 1458a_100000747056_100000211926 [0,2,0,0,0,0|2,0,0]=4 5437 B9R0.37 CCC(OC)C(=O)NNC 22a_100016993582_100000747056 [0,2,0,0,0,0|2,0,0]=4 5438 B9R0.37 CCCC(=O)C(CC)CC 1458a_100000211163_100000210303 [0,2,0,0,0,0|1,0,0]=3 5439 B9R0.37 CCCC(=O)C(CC)CC 1458a_100000211992_100000210505 [0,2,0,0,0,0|1,0,0]=3 5440 B9R0.37 CCCC(=O)C(CC)OC 1458a_100000747056_100000210303 [0,2,0,0,0,0|1,0,0]=3 5441 B9R0.37 CCCC(=O)C(OC)OC 1458a_100000046285_100000210303 [0,2,0,0,0,0|2,0,0]=4 5442 B9R0.37 CCCC(=O)N(CC)CC 11a_100000724800_100000211992 [0,2,0,0,0,0|1,0,0]=3 5443 B9R0.37 CCCC(=O)N(CC)CC 1626a_100000724800_100000211992 [0,2,0,0,0,0|1,0,0]=3 5444 B9R0.37 CCCC(=O)N(CC)CC 240690a_100000724800_100000211992 [0,2,0,0,0,0|1,0,0]=3 5445 B9R0.37 CCCC(=O)N(CC)CC 527a_100000724800_100000211992 [0,2,0,0,0,0|1,0,0]=3 5446 B9R0.37 CCN(CC)C(=O)CCO 240690a_100000724800_100011216618 [0,2,0,0,0,0|2,0,0]=4 5447 B9R0.37 CCN(CC)C(=O)CNC 2230a_100000174916_200000210301 [0,2,0,0,0,0|2,0,0]=4 5448 B9R0.37 CCN(CC)C(=O)CNC 2230a_106832991635_100000211521 [0,2,0,0,0,0|2,0,0]=4 5449 B9R0.37 CCN(CC)C(=O)CNC 34a_100102657272_100000211521 [0,2,0,0,0,0|2,0,0]=4 5450 B9R0.37 CCN(CC)C(=O)CNC 7a_106832991635_100000211521 [0,2,0,0,0,0|2,0,0]=4 5451 B9R0.37 CCN(CC)C(=O)CN[13CH3] 2230a_100000174916_200025704644 [0,2,0,0,0,0|2,0,0]=4 5452 B9R0.37 CCN(CC)C(=O)COC 11a_100000724800_100000210968 [0,2,0,0,0,0|2,0,0]=4 5453 B9R0.37 CCN(CC)C(=O)COC 1626a_100000724800_100000210968 [0,2,0,0,0,0|2,0,0]=4 5454 B9R0.37 CCN(CC)C(=O)COC 240690a_100000724800_100000210968 [0,2,0,0,0,0|2,0,0]=4 5455 B9R0.37 CCN(CC)C(=O)COC 34a_100138415774_100000211521 [0,2,0,0,0,0|2,0,0]=4 5456 B9R0.37 CCN(CC)C(=O)COC 527a_100000724800_100000210968 [0,2,0,0,0,0|2,0,0]=4 5457 B9R0.37 CCN(CC)C(=O)COC 7a_200000238847_200000210301 [0,2,0,0,0,0|2,0,0]=4 5458 B9R0.37 CCN(CC)C(=O)CO[13CH3] 7a_200000238847_200025704644 [0,2,0,0,0,0|2,0,0]=4 5459 B9R0.37 CCN(CC)C(=O)CSC 11a_100000724800_100000184570 [0,2,0,0,0,0|2,0,0]=4 5460 B9R0.37 CCN(CC)C(=O)CSC 1626a_100000724800_100000184570 [0,2,0,0,0,0|2,0,0]=4 5461 B9R0.37 CCN(CC)C(=O)CSC 240690a_100000724800_100000184570 [0,2,0,0,0,0|2,0,0]=4 5462 B9R0.37 CCN(CC)C(=O)CSC 527a_100000724800_100000184570 [0,2,0,0,0,0|2,0,0]=4 5463 B9R0.37 CCN(CC)C(=O)CSC 62a_100000211521_200000210301 [0,2,0,0,0,0|2,0,0]=4 5464 B9R0.37 CCN(CC)C(=O)CSC 62a_200000210301_100000211521 [0,2,0,0,0,0|2,0,0]=4 5465 B9R0.37 CCN(CC)C(=O)CS[13CH3] 62a_100000211521_200025704644 [0,2,0,0,0,0|2,0,0]=4 5466 B9R0.37 CCN(CC)C(=O)CS[13CH3] 62a_200025704644_100000211521 [0,2,0,0,0,0|2,0,0]=4 5467 B9R0.37 CCNC(=O)C(CC)CC 11a_100015525214_100000211163 [0,2,0,0,0,0|1,0,0]=3 5468 B9R0.37 CCNC(=O)C(CC)CC 240690a_100015525214_100000211163 [0,2,0,0,0,0|1,0,0]=3 5469 B9R0.37 CCNC(=O)C(CC)CC 527a_100015525214_100000211163 [0,2,0,0,0,0|1,0,0]=3 5470 B9R0.37 CCNC(=O)C(CC)OC 11a_100015525214_100000747056 [0,2,0,0,0,0|1,0,0]=3 5471 B9R0.37 CCNC(=O)C(CC)OC 240690a_100015525214_100000747056 [0,2,0,0,0,0|1,0,0]=3 5472 B9R0.37 CCNC(=O)C(CC)OC 527a_100015525214_100000747056 [0,2,0,0,0,0|1,0,0]=3 5473 B9R0.37 CCNC(=O)C(OC)OC 11a_100015525214_100000046285 [0,2,0,0,0,0|2,0,0]=4 5474 B9R0.37 CCNC(=O)C(OC)OC 240690a_100015525214_100000046285 [0,2,0,0,0,0|2,0,0]=4 5475 B9R0.37 CCNC(=O)C(OC)OC 527a_100015525214_100000046285 [0,2,0,0,0,0|2,0,0]=4 5476 B9R0.37 CCNC(=O)N(CC)CC 2708a_100015525214_100000724800 [0,2,0,0,0,0|2,0,0]=4 5477 B9R0.37 CCNC(=O)N(CC)CC 273464a_100015525214_100000724800 [0,2,0,0,0,0|2,0,0]=4 5478 B9R0.37 CCOC(=O)C(C=O)SC 62a_100000053139_200000210301 [0,2,0,0,0,0|1,0,0]=3 5479 B9R0.37 CCOC(=O)C(C=O)SC 62a_200000210301_100000053139 [0,2,0,0,0,0|1,0,0]=3 5480 B9R0.37 CCOC(=O)C(C=O)S[13CH3] 62a_100000053139_200025704644 [0,2,0,0,0,0|1,0,0]=3 5481 B9R0.37 CCOC(=O)C(C=O)S[13CH3] 62a_200025704644_100000053139 [0,2,0,0,0,0|1,0,0]=3 5482 B9R0.37 CCOC(=O)C(CC)NC 2230a_106832991635_100000212269 [0,2,0,0,0,0|0,0,0]=2 5483 B9R0.37 CCOC(=O)C(CC)NC 34a_100102657272_100000212269 [0,2,0,0,0,0|0,0,0]=2 5484 B9R0.37 CCOC(=O)C(CC)NC 7a_106832991635_100000212269 [0,2,0,0,0,0|0,0,0]=2 5485 B9R0.37 CCOC(=O)C(CC)OC 34a_100011216719_200000210301 [0,2,0,0,0,0|0,0,0]=2 5486 B9R0.37 CCOC(=O)C(CC)OC 34a_100138415774_100000212269 [0,2,0,0,0,0|0,0,0]=2 5487 B9R0.37 CCOC(=O)C(CC)OC 7a_100011216719_200000210301 [0,2,0,0,0,0|0,0,0]=2 5488 B9R0.37 CCOC(=O)C(CC)O[13CH3] 34a_100011216719_200025704644 [0,2,0,0,0,0|0,0,0]=2 5489 B9R0.37 CCOC(=O)C(CC)O[13CH3] 7a_100011216719_200025704644 [0,2,0,0,0,0|0,0,0]=2 5490 B9R0.37 CCOC(=O)C(CC)SC 62a_100000212269_200000210301 [0,2,0,0,0,0|0,0,0]=2 5491 B9R0.37 CCOC(=O)C(CC)SC 62a_200000210301_100000212269 [0,2,0,0,0,0|0,0,0]=2 5492 B9R0.37 CCOC(=O)C(CC)S[13CH3] 62a_100000212269_200025704644 [0,2,0,0,0,0|0,0,0]=2 5493 B9R0.37 CCOC(=O)C(CC)S[13CH3] 62a_200025704644_100000212269 [0,2,0,0,0,0|0,0,0]=2 5494 B9R0.37 CCOC(=O)C(NC)SC 34a_100102657272_100009893047 [0,2,0,0,0,0|1,0,0]=3 5495 B9R0.37 CCOC(=O)C(OC)SC 34a_100138415774_100009893047 [0,2,0,0,0,0|1,0,0]=3 5496 B9R0.37 CCOC(=O)C(SC)SC 62a_100009893047_200000210301 [0,2,0,0,0,0|1,0,0]=3 5497 B9R0.37 CCOC(=O)C(SC)SC 62a_200000210301_100009893047 [0,2,0,0,0,0|1,0,0]=3 5498 B9R0.37 CCOC(=O)C(SC)S[13CH3] 62a_100009893047_200025704644 [0,2,0,0,0,0|1,0,0]=3 5499 B9R0.37 CCOC(=O)C(SC)S[13CH3] 62a_200025704644_100009893047 [0,2,0,0,0,0|1,0,0]=3 5500 B9R0.60 CCCS(=O)(=O)N(C)CC 270084a_100000225621_100000211391 [0,2,0,0,0,0|2,0,0]=4 5501 B9R0.60 CCCS(=O)(=O)N(C)CC 274078a_100000225621_100000211391 [0,2,0,0,0,0|2,0,0]=4 5502 B9R0.60 CCCS(=O)(=O)N(C)CC 40a_100000225621_100000054278 [0,2,0,0,0,0|2,0,0]=4 5503 B9R0.60 CCNS(=O)(=O)C(C)CC 270084a_100015525214_100000685195 [0,2,0,0,0,0|2,0,0]=4 5504 B9R0.60 CCNS(=O)(=O)C(C)CC 274078a_100015525214_100000685195 [0,2,0,0,0,0|2,0,0]=4 5505 B9R0.14 C#CC(CC(C)C)OCC 34a_100011215986_100000210202 [0,2,0,0,0,0|1,0,1]=4 5506 B9R0.14 C#CC(CC(C)C)OCC 7a_100011215986_100000210202 [0,2,0,0,0,0|1,0,1]=4 5507 B9R0.14 C#CC(CCC)OC(C)C 34a_200011217317_100000210206 [0,2,0,0,0,0|1,0,1]=4 5508 B9R0.14 C#CC(CCC)OC(C)C 7a_200011217317_100000210206 [0,2,0,0,0,0|1,0,1]=4 5509 B9R0.14 C=CC(CC(C)C)OCC 34a_100012186643_100000210202 [0,2,0,0,0,0|1,0,1]=4 5510 B9R0.14 C=CC(CC(C)C)OCC 7a_100012186643_100000210202 [0,2,0,0,0,0|1,0,1]=4 5511 B9R0.14 C=CC(CCC)OC(C)C 34a_100011216692_100000210206 [0,2,0,0,0,0|1,0,1]=4 5512 B9R0.14 C=CC(CCC)OC(C)C 7a_100011216692_100000210206 [0,2,0,0,0,0|1,0,1]=4 5513 B9R0.14 CCCC(C#N)OC(C)C 34a_100000686963_100000210206 [0,2,0,0,0,0|1,0,1]=4 5514 B9R0.14 CCCC(C#N)OC(C)C 7a_100000686963_100000210206 [0,2,0,0,0,0|1,0,1]=4 5515 B9R0.14 CCCC(CC)OC(C)C 34a_100000687864_100000210206 [0,2,0,0,0,0|1,0,1]=4 5516 B9R0.14 CCCC(CC)OC(C)C 7a_100000687864_100000210206 [0,2,0,0,0,0|1,0,1]=4 5517 B9R0.14 CCOC(C#N)CC(C)C 34a_200011294978_100000210202 [0,2,0,0,0,0|1,0,1]=4 5518 B9R0.14 CCOC(C#N)CC(C)C 7a_200011294978_100000210202 [0,2,0,0,0,0|1,0,1]=4 5519 B9R0.44 CC(C)(C)CC(=O)CCF 1458a_100000211214_100011217306 [0,2,0,0,0,0|2,0,0]=4 5520 B9R0.44 CC(C)(C)CC(=O)CCO 1458a_100000211214_100000211926 [0,2,0,0,0,0|2,0,0]=4 5521 B9R0.44 CC(C)(C)NC(=O)CCO 240690a_100000715429_100011216618 [0,2,0,0,0,0|2,0,0]=4 5522 B9R0.44 CC(C)(C)NC(=O)CN[13CH3] 2230a_100000174917_200025704644 [0,2,0,0,0,0|2,0,0]=4 5523 B9R0.44 CC(C)(C)NC(=O)CN[13CH3] 34a_100000174917_200025704644 [0,2,0,0,0,0|2,0,0]=4 5524 B9R0.44 CC(C)(C)NC(=O)CS[13CH3] 62a_100000182746_200025704644 [0,2,0,0,0,0|2,0,0]=4 5525 B9R0.44 CC(C)(C)NC(=O)CS[13CH3] 62a_200025704644_100000182746 [0,2,0,0,0,0|2,0,0]=4 5526 B9R0.44 CC(C)(C)OC(=O)CO[13CH3] 34a_100000752683_200025704644 [0,2,0,0,0,0|1,0,0]=3 5527 B9R0.44 CC(C)(C)OC(=O)CS[13CH3] 62a_100000183872_200025704644 [0,2,0,0,0,0|1,0,0]=3 5528 B9R0.44 CC(C)(C)OC(=O)CS[13CH3] 62a_200025704644_100000183872 [0,2,0,0,0,0|1,0,0]=3 5529 B9R0.44 CC(C)(O)CC(=O)CCF 1458a_100000693243_100011217306 [0,2,0,0,0,0|2,0,0]=4 5530 B9R0.44 CC(C)(O)CC(=O)CCO 1458a_100000693243_100000211926 [0,2,0,0,0,0|2,0,0]=4 5531 B9R0.44 CCCC(=O)CC(C)(C)C 1458a_100000211214_100000210303 [0,2,0,0,0,0|1,0,0]=3 5532 B9R0.44 CCCC(=O)CC(C)(C)O 1458a_100000693243_100000210303 [0,2,0,0,0,0|1,0,0]=3 5533 B9R0.44 CCCC(=O)CC(F)(F)F 1458a_100000245130_100000210303 [0,2,0,0,0,0|2,0,0]=4 5534 B9R0.44 CCCC(=O)CS(=O)(=O)C 1458a_100000744497_100000210303 [0,2,0,0,0,0|2,0,0]=4 5535 B9R0.44 CCCC(=O)C[N+](C)(C)C 1458a_100000033712_100000210303 [0,2,0,0,0,0|2,0,0]=4 5536 B9R0.44 CCCC(=O)C[Si](C)(C)C 1458a_100000211992_100000233785 [0,2,0,0,0,0|1,1,0]=4 5537 B9R0.44 CCCC(=O)C[Si](C)(C)C 1458a_100011218504_100000210303 [0,2,0,0,0,0|1,1,0]=4 5538 B9R0.44 CCCC(=O)NC(C)(C)C 11a_100000715429_100000211992 [0,2,0,0,0,0|1,0,0]=3 5539 B9R0.44 CCCC(=O)NC(C)(C)C 1626a_100000715429_100000211992 [0,2,0,0,0,0|1,0,0]=3 5540 B9R0.44 CCCC(=O)NC(C)(C)C 240690a_100000715429_100000211992 [0,2,0,0,0,0|1,0,0]=3 5541 B9R0.44 CCCC(=O)NC(C)(C)C 527a_100000715429_100000211992 [0,2,0,0,0,0|1,0,0]=3 5542 B9R0.44 CCCC(=O)NS(=O)(=O)C 2740a_100000171171_100000211992 [0,2,0,0,0,0|2,0,0]=4 5543 B9R0.44 CCCC(C)OC(C)(C)C 34a_100000764384_100000210625 [0,2,0,0,0,0|1,0,1]=4 5544 B9R0.44 CCCC(C)OC(C)(C)C 34a_100015890283_100000766640 [0,2,0,0,0,0|1,0,1]=4 5545 B9R0.44 CCCC(C)OC(C)(C)C 7a_100015890283_100000766640 [0,2,0,0,0,0|1,0,1]=4 5546 B9R0.44 CCNC(=O)CC(C)(C)C 11a_100015525214_100000211214 [0,2,0,0,0,0|1,0,0]=3 5547 B9R0.44 CCNC(=O)CC(C)(C)C 240690a_100015525214_100000211214 [0,2,0,0,0,0|1,0,0]=3 5548 B9R0.44 CCNC(=O)CC(C)(C)C 527a_100015525214_100000211214 [0,2,0,0,0,0|1,0,0]=3 5549 B9R0.44 CCNC(=O)CC(C)(C)O 527a_100015525214_100000693243 [0,2,0,0,0,0|1,0,0]=3 5550 B9R0.44 CCNC(=O)CC(F)(F)F 11a_100015525214_100000245130 [0,2,0,0,0,0|2,0,0]=4 5551 B9R0.44 CCNC(=O)CC(F)(F)F 527a_100015525214_100000245130 [0,2,0,0,0,0|2,0,0]=4 5552 B9R0.44 CCNC(=O)CS(=O)(=O)C 11a_100015525214_100000744497 [0,2,0,0,0,0|2,0,0]=4 5553 B9R0.44 CCNC(=O)CS(=O)(=O)C 240690a_100015525214_100000744497 [0,2,0,0,0,0|2,0,0]=4 5554 B9R0.44 CCNC(=O)CS(=O)(=O)C 527a_100015525214_100000744497 [0,2,0,0,0,0|2,0,0]=4 5555 B9R0.44 CCNC(=O)C[N+](C)(C)C 11a_100015525214_100000033712 [0,2,0,0,0,0|2,0,0]=4 5556 B9R0.44 CCNC(=O)C[N+](C)(C)C 240690a_100015525214_100000033712 [0,2,0,0,0,0|2,0,0]=4 5557 B9R0.44 CCNC(=O)C[N+](C)(C)C 527a_100015525214_100000033712 [0,2,0,0,0,0|2,0,0]=4 5558 B9R0.44 CCNC(=O)C[Si](C)(C)C 11a_100015525214_100011218504 [0,2,0,0,0,0|1,1,0]=4 5559 B9R0.44 CCNC(=O)NC(C)(C)C 2708a_100015525214_100000715429 [0,2,0,0,0,0|2,0,0]=4 5560 B9R0.44 CCNC(=O)NC(C)(C)C 273464a_100000715429_100015525214 [0,2,0,0,0,0|2,0,0]=4 5561 B9R0.44 CCNC(=O)NC(C)(C)C 273464a_100015525214_100000715429 [0,2,0,0,0,0|2,0,0]=4 5562 B9R0.44 CCNC(=O)NC(C)(C)C 512a_100000715429_100015525214 [0,2,0,0,0,0|2,0,0]=4 5563 B9R0.44 CCOC(C)CC(C)(C)C 7a_200011218616_100000210202 [0,2,0,0,0,0|1,0,1]=4 5564 B9R0.44 CNCC(=O)NC(C)(C)C 2230a_100000174917_200000210301 [0,2,0,0,0,0|2,0,0]=4 5565 B9R0.44 CNCC(=O)NC(C)(C)C 2230a_106832991635_100000182746 [0,2,0,0,0,0|2,0,0]=4 5566 B9R0.44 CNCC(=O)NC(C)(C)C 34a_100000174917_200000210301 [0,2,0,0,0,0|2,0,0]=4 5567 B9R0.44 CNCC(=O)NC(C)(C)C 34a_100102657272_100000182746 [0,2,0,0,0,0|2,0,0]=4 5568 B9R0.44 CNCC(=O)NC(C)(C)C 7a_106832991635_100000182746 [0,2,0,0,0,0|2,0,0]=4 5569 B9R0.44 CNCC(=O)OC(C)(C)C 2230a_106832991635_100000183872 [0,2,0,0,0,0|1,0,0]=3 5570 B9R0.44 CNCC(=O)OC(C)(C)C 34a_100102657272_100000183872 [0,2,0,0,0,0|1,0,0]=3 5571 B9R0.44 CNCC(=O)OC(C)(C)C 7a_106832991635_100000183872 [0,2,0,0,0,0|1,0,0]=3 5572 B9R0.44 CNCC(=O)O[Si](C)(C)C 2230a_106832991635_200009813336 [0,2,0,0,0,0|1,1,0]=4 5573 B9R0.44 CNCC(=O)O[Si](C)(C)C 34a_100102657272_200009813336 [0,2,0,0,0,0|1,1,0]=4 5574 B9R0.44 CNCC(=O)O[Si](C)(C)C 7a_106832991635_200009813336 [0,2,0,0,0,0|1,1,0]=4 5575 B9R0.44 CNNC(=O)CC(C)(C)C 22a_100016993582_100000211214 [0,2,0,0,0,0|2,0,0]=4 5576 B9R0.44 CNNC(=O)CC(C)(C)O 22a_100016993582_100000693243 [0,2,0,0,0,0|2,0,0]=4 5577 B9R0.44 COCC(=O)NC(C)(C)C 11a_100000715429_100000210968 [0,2,0,0,0,0|2,0,0]=4 5578 B9R0.44 COCC(=O)NC(C)(C)C 1626a_100000715429_100000210968 [0,2,0,0,0,0|2,0,0]=4 5579 B9R0.44 COCC(=O)NC(C)(C)C 240690a_100000715429_100000210968 [0,2,0,0,0,0|2,0,0]=4 5580 B9R0.44 COCC(=O)NC(C)(C)C 34a_100138415774_100000182746 [0,2,0,0,0,0|2,0,0]=4 5581 B9R0.44 COCC(=O)NC(C)(C)C 527a_100000715429_100000210968 [0,2,0,0,0,0|2,0,0]=4 5582 B9R0.44 COCC(=O)OC(C)(C)C 34a_100000752683_200000210301 [0,2,0,0,0,0|1,0,0]=3 5583 B9R0.44 COCC(=O)OC(C)(C)C 34a_100138415774_100000183872 [0,2,0,0,0,0|1,0,0]=3 5584 B9R0.44 COCC(=O)O[Si](C)(C)C 34a_100138415774_200009813336 [0,2,0,0,0,0|1,1,0]=4 5585 B9R0.44 CSCC(=O)NC(C)(C)C 11a_100000715429_100000184570 [0,2,0,0,0,0|2,0,0]=4 5586 B9R0.44 CSCC(=O)NC(C)(C)C 1626a_100000715429_100000184570 [0,2,0,0,0,0|2,0,0]=4 5587 B9R0.44 CSCC(=O)NC(C)(C)C 240690a_100000715429_100000184570 [0,2,0,0,0,0|2,0,0]=4 5588 B9R0.44 CSCC(=O)NC(C)(C)C 527a_100000715429_100000184570 [0,2,0,0,0,0|2,0,0]=4 5589 B9R0.44 CSCC(=O)NC(C)(C)C 62a_100000182746_200000210301 [0,2,0,0,0,0|2,0,0]=4 5590 B9R0.44 CSCC(=O)NC(C)(C)C 62a_200000210301_100000182746 [0,2,0,0,0,0|2,0,0]=4 5591 B9R0.44 CSCC(=O)OC(C)(C)C 62a_100000183872_200000210301 [0,2,0,0,0,0|1,0,0]=3 5592 B9R0.44 CSCC(=O)OC(C)(C)C 62a_200000210301_100000183872 [0,2,0,0,0,0|1,0,0]=3 5593 B9R0.44 CSCC(=O)O[Si](C)(C)C 62a_200000210301_200009813336 [0,2,0,0,0,0|1,1,0]=4 5594 B9R0.44 CSCC(=O)O[Si](C)(C)C 62a_200009813336_200000210301 [0,2,0,0,0,0|1,1,0]=4 5595 B9R0.44 C[Si](C)(C)OC(=O)CS[13CH3] 62a_200009813336_200025704644 [0,2,0,0,0,0|1,1,0]=4 5596 B9R0.44 C[Si](C)(C)OC(=O)CS[13CH3] 62a_200025704644_200009813336 [0,2,0,0,0,0|1,1,0]=4 5597 B9R0.53 C=C(C)CC(=O)CC(C)C 1458a_100000210554_100000748629 [0,2,0,0,0,0|1,0,1]=4 5598 B9R0.53 C=C(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100000748629 [0,2,0,0,0,0|1,0,1]=4 5599 B9R0.53 CC(=CC(=O)CC(C)C)C 1458a_100000211388_100000210624 [0,2,0,0,0,0|1,0,1]=4 5600 B9R0.53 CC(=CC(=O)CC(C)C)Cl 1458a_200042562850_100000210624 [0,2,0,0,0,0|1,0,1]=4 5601 B9R0.53 CC(=CC(=O)CC(C)C)I 1458a_100025716642_100000210624 [0,2,0,0,0,0|1,0,1]=4 5602 B9R0.53 CC(=CC(=O)CC(C)O)C 1458a_100000211388_100011218427 [0,2,0,0,0,0|1,0,1]=4 5603 B9R0.53 CC(=CC(=O)CC(C)O)Cl 1458a_200042562850_100011218427 [0,2,0,0,0,0|1,0,1]=4 5604 B9R0.53 CC(=CC(=O)CC(C)O)I 1458a_100025716642_100011218427 [0,2,0,0,0,0|1,0,1]=4 5605 B9R0.53 CC(=O)CC(=O)NC(C)C 1458a_100000070787_100000183996 [0,2,0,0,0,0|1,0,1]=4 5606 B9R0.53 CC(=O)CC(=O)OC(C)C 1458a_100000070787_100011215430 [0,2,0,0,0,0|0,0,1]=3 5607 B9R0.53 CC(C)CC(=O)CC(C)C 1458a_100000210554_100000210624 [0,2,0,0,0,0|1,0,0]=3 5608 B9R0.53 CC(C)CC(=O)CC(C)O 1458a_100000210554_100011218427 [0,2,0,0,0,0|1,0,0]=3 5609 B9R0.53 CC(C)CC(=O)CC(F)F 1458a_100000210554_100011934356 [0,2,0,0,0,0|2,0,0]=4 5610 B9R0.53 CC(C)CC(=O)CN(C)C 1458a_100000750896_100000210624 [0,2,0,0,0,0|2,0,0]=4 5611 B9R0.53 CC(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100000210624 [0,2,0,0,0,0|1,0,0]=3 5612 B9R0.53 CC(C)CC(=O)C[S+](C)C 1458a_200159257847_100000210624 [0,2,0,0,0,0|2,0,0]=4 5613 B9R0.53 CC(C)CC(=O)NC(C)C 11a_100138425928_100000210554 [0,2,0,0,0,0|1,0,0]=3 5614 B9R0.53 CC(C)CC(=O)NC(C)C 1626a_100138425928_100000210554 [0,2,0,0,0,0|1,0,0]=3 5615 B9R0.53 CC(C)CC(=O)NC(C)C 240690a_100138425928_100000210554 [0,2,0,0,0,0|1,0,0]=3 5616 B9R0.53 CC(C)CC(=O)NC(C)C 527a_100138425928_100000210554 [0,2,0,0,0,0|1,0,0]=3 5617 B9R0.53 CC(C)CC(C)OC(C)C 34a_100000211805_100000210206 [0,2,0,0,0,0|1,0,1]=4 5618 B9R0.53 CC(C)CC(C)OC(C)C 34a_100000212225_100000731052 [0,2,0,0,0,0|1,0,1]=4 5619 B9R0.53 CC(C)CC(C)OC(C)C 7a_100000211805_100000210206 [0,2,0,0,0,0|1,0,1]=4 5620 B9R0.53 CC(C)NC(=O)CN(C)C 11a_100138425928_100000750896 [0,2,0,0,0,0|2,0,0]=4 5621 B9R0.53 CC(C)NC(=O)CN(C)C 2230a_100000168146_200000210301 [0,2,0,0,0,0|2,0,0]=4 5622 B9R0.53 CC(C)NC(=O)CN(C)C 2230a_100102631434_100000183996 [0,2,0,0,0,0|2,0,0]=4 5623 B9R0.53 CC(C)NC(=O)CN(C)C 240690a_100138425928_100000750896 [0,2,0,0,0,0|2,0,0]=4 5624 B9R0.53 CC(C)NC(=O)CN(C)C 269982a_100000168146_200000210301 [0,2,0,0,0,0|2,0,0]=4 5625 B9R0.53 CC(C)NC(=O)CN(C)C 269982a_100102631434_100000183996 [0,2,0,0,0,0|2,0,0]=4 5626 B9R0.53 CC(C)NC(=O)CN(C)C 527a_100138425928_100000750896 [0,2,0,0,0,0|2,0,0]=4 5627 B9R0.53 CC(C)NC(=O)CN(C)[13CH3] 2230a_100000168146_200025704644 [0,2,0,0,0,0|2,0,0]=4 5628 B9R0.53 CC(C)NC(=O)CN(C)[13CH3] 269982a_100000168146_200025704644 [0,2,0,0,0,0|2,0,0]=4 5629 B9R0.53 CC(C)NC(=O)C[C@@H](C)O 240690a_100138425928_100011933948 [0,2,0,0,0,0|1,0,0]=3 5630 B9R0.53 CC(C)NC(=O)C[S+](C)C 11a_100138425928_200159257847 [0,2,0,0,0,0|2,0,0]=4 5631 B9R0.53 CC(C)NC(=O)C[S+](C)C 1626a_100138425928_200159257847 [0,2,0,0,0,0|2,0,0]=4 5632 B9R0.53 CC(C)NC(=O)C[S+](C)C 240690a_100138425928_200159257847 [0,2,0,0,0,0|2,0,0]=4 5633 B9R0.53 CC(C)NC(=O)C[S+](C)C 527a_100138425928_200159257847 [0,2,0,0,0,0|2,0,0]=4 5634 B9R0.53 CC(C)NC(=O)NC(C)C 2708a_100138425928_100138425928 [0,2,0,0,0,0|2,0,0]=4 5635 B9R0.53 CC(C)NC(=O)NC(C)C 512a_100138425928_100138425928 [0,2,0,0,0,0|2,0,0]=4 5636 B9R0.53 CC(C)OC(=O)CN(C)C 2230a_100102631434_100011215430 [0,2,0,0,0,0|1,0,0]=3 5637 B9R0.53 CC(C)OC(=O)CN(C)C 269982a_100102631434_100011215430 [0,2,0,0,0,0|1,0,0]=3 5638 B9R0.53 CC(O)CC(=O)CN(C)C 1458a_100000750896_100011218427 [0,2,0,0,0,0|2,0,0]=4 5639 B9R0.53 CC(O)CC(=O)C[C@@H](C)O 1458a_100011933948_100011218427 [0,2,0,0,0,0|1,0,0]=3 5640 B9R0.53 CC(O)CC(=O)C[S+](C)C 1458a_200159257847_100011218427 [0,2,0,0,0,0|2,0,0]=4 5641 B9R0.53 C[C@@H](O)CC(=O)CC(F)F 1458a_100011933948_100011934356 [0,2,0,0,0,0|2,0,0]=4 5642 B9R0.58 CCCC(C)(C)OC(C)C 7a_100000748436_100000210206 [0,2,0,0,0,0|1,0,1]=4 5643 B9R0.58 CCCS(=O)(=O)NC(C)C 270084a_100138425928_100000211391 [0,2,0,0,0,0|2,0,0]=4 5644 B9R0.58 CCCS(=O)(=O)NC(C)C 274078a_100138425928_100000211391 [0,2,0,0,0,0|2,0,0]=4 5645 B9R0.58 CCNS(=O)(=O)CC(C)C 270084a_100015525214_100000748289 [0,2,0,0,0,0|2,0,0]=4 5646 B9R0.58 CCNS(=O)(=O)CC(C)C 274078a_100015525214_100000748289 [0,2,0,0,0,0|2,0,0]=4 5647 B9R0.15 CCCC(CCC)C(=O)C 1458a_100000070787_200011218217 [0,2,0,0,0,0|1,0,1]=4 5648 B9R0.15 CCCC(CCC)C(=O)C 1458a_100011215354_200000210301 [0,2,0,0,0,0|1,0,1]=4 5649 B9R0.15 CCCC(CCC)C(=O)[13CH3] 1458a_100011215354_200025704644 [0,2,0,0,0,0|1,0,1]=4 5650 B9R0.15 CCCC(OCC)C(=O)N 34a_100011626294_100000210202 [0,2,0,0,0,0|0,0,1]=3 5651 B9R0.15 CCCC(OCC)C(=O)N 7a_100011626294_100000210202 [0,2,0,0,0,0|0,0,1]=3 5652 B9R0.15 CCCC(OCC)C(C)C 34a_200011215069_100000210202 [0,2,0,0,0,0|1,0,1]=4 5653 B9R0.15 CCCC(OCC)C(C)C 7a_200011215069_100000210202 [0,2,0,0,0,0|1,0,1]=4 5654 B9R0.15 CCCC(OCF)C(=O)N 34a_100011626294_100015361967 [0,2,0,0,0,0|1,0,1]=4 5655 B9R0.15 CCCC(OCF)C(=O)N 7a_100011626294_100015361967 [0,2,0,0,0,0|1,0,1]=4 5656 B9R0.15 CCCN(CCC)C(=O)C 11a_100000210455_100015343762 [0,2,0,0,0,0|2,0,0]=4 5657 B9R0.15 CCCN(CCC)C(=O)C 1626a_100000210455_100015343762 [0,2,0,0,0,0|2,0,0]=4 5658 B9R0.15 CCCN(CCC)C(=O)C 240690a_100000210455_100015343762 [0,2,0,0,0,0|2,0,0]=4 5659 B9R0.15 CCCN(CCC)C(=O)C 527a_100000210455_100103153847 [0,2,0,0,0,0|2,0,0]=4 5660 B9R0.15 CCC[C@H](NCC)C(=O)N 2230a_100000729256_100000210202 [0,2,0,0,0,0|1,0,1]=4 5661 B9R0.15 CCC[C@H](NCC)C(=O)N 34a_100000729256_100000210202 [0,2,0,0,0,0|1,0,1]=4 5662 B9R0.15 CCC[C@H](NCC)C(=O)O 269956a_100000750406_100000210202 [0,2,0,0,0,0|1,0,1]=4 5663 B9R0.15 CCOC(OCC)C(=O)C 1458a_100000082760_200000210301 [0,2,0,0,0,0|1,0,1]=4 5664 B9R0.15 CCOC(OCC)C(=O)[13CH3] 1458a_100000082760_200025704644 [0,2,0,0,0,0|1,0,1]=4 5665 B9R0.17 C/C=C/C(CCC)OCC 34a_200016264281_100000210202 [0,2,0,0,0,0|1,0,1]=4 5666 B9R0.17 C/C=C/C(CCC)OCC 7a_200016264281_100000210202 [0,2,0,0,0,0|1,0,1]=4 5667 B9R0.17 C=CCC(CCC)OCC 34a_100011215139_100000210202 [0,2,0,0,0,0|1,0,1]=4 5668 B9R0.17 C=CCC(CCC)OCC 7a_100011215139_100000210202 [0,2,0,0,0,0|1,0,1]=4 5669 B9R0.17 CCCC(CCC)OCC 34a_100121572206_200011218217 [0,2,0,0,0,0|1,0,1]=4 5670 B9R0.17 CCCC(CCC)OCC 34a_200011218534_100000210202 [0,2,0,0,0,0|1,0,1]=4 5671 B9R0.17 CCCC(CCC)OCC 7a_200011218534_100000210202 [0,2,0,0,0,0|1,0,1]=4 5672 B9R0.17 CCCN(CC=O)CCC 2230a_100000210455_200015260668 [0,2,0,0,0,0|2,0,0]=4 5673 B9R0.17 CCCN(CC=O)CCC 269982a_100000210455_200015260668 [0,2,0,0,0,0|2,0,0]=4 5674 B9R0.59 CCCC(C)(CC)OCC 7a_200011215934_100000210202 [0,2,0,0,0,0|1,0,1]=4 5675 B7R1.1 CCN1CCCC1 2230a_100000188435_100000210202 [1,0,0,1,0,0|2,0,0]=4 5676 B7R1.1 CCN1CCCC1 269982a_100000188435_100000204670 [1,0,0,1,0,0|2,0,0]=4 5677 B7R1.1 COC1CCCC1 34a_100000210269_200000210301 [1,0,0,1,0,0|1,0,1]=4 5678 B7R1.1 COC1CCCC1 34a_100138415774_100000179811 [1,0,0,1,0,0|1,0,1]=4 5679 B7R1.1 COC1CCCC1 7a_100000210269_200000210301 [1,0,0,1,0,0|1,0,1]=4 5680 B7R1.1 COC1CCCO1 34a_100000085407_200000210301 [1,0,0,1,0,0|0,0,2]=4 5681 B7R1.1 [13CH3]OC1CCCC1 34a_100000210269_200025704644 [1,0,0,1,0,0|1,0,1]=4 5682 B7R1.1 [13CH3]OC1CCCC1 7a_100000210269_200025704644 [1,0,0,1,0,0|1,0,1]=4 5683 B7R1.1 [13CH3]OC1CCCO1 34a_100000085407_200025704644 [1,0,0,1,0,0|0,0,2]=4 5684 B7R1.2 CN1CNC(=O)C1 2230a_200000708111_200000210301 [1,0,0,1,0,0|2,0,0]=4 5685 B7R1.2 C[C@@H]1CCN(C1)C 2230a_100016987628_200000210301 [1,0,0,1,0,0|2,0,0]=4 5686 B7R1.2 C[C@@H]1CCN(C1)C 269982a_100016987628_200000210301 [1,0,0,1,0,0|2,0,0]=4 5687 B7R1.2 C[C@@H]1CCN(C1)C 34a_100016987628_200000210301 [1,0,0,1,0,0|2,0,0]=4 5688 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 2230a_100016987628_200025704644 [1,0,0,1,0,0|2,0,0]=4 5689 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 269982a_100016987628_200025704644 [1,0,0,1,0,0|2,0,0]=4 5690 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 34a_100016987628_200025704644 [1,0,0,1,0,0|2,0,0]=4 5691 B7R1.2 [13CH3]N1CNC(=O)C1 2230a_200000708111_200025704644 [1,0,0,1,0,0|2,0,0]=4 5692 B7R1.4 C[C@@H]1CCCN1C 2230a_100015189458_200000210301 [1,0,0,1,0,0|2,0,0]=4 5693 B7R1.4 C[C@@H]1CCCN1C 269982a_100015189458_200000210301 [1,0,0,1,0,0|2,0,0]=4 5694 B7R1.4 C[C@@H]1CCCN1C 34a_100015189458_200000210301 [1,0,0,1,0,0|2,0,0]=4 5695 B7R1.4 C[C@@H]1CCCN1[13CH3] 2230a_100015189458_200025704644 [1,0,0,1,0,0|2,0,0]=4 5696 B7R1.4 C[C@@H]1CCCN1[13CH3] 269982a_100015189458_200025704644 [1,0,0,1,0,0|2,0,0]=4 5697 B7R1.4 C[C@@H]1CCCN1[13CH3] 34a_100015189458_200025704644 [1,0,0,1,0,0|2,0,0]=4 5698 B7R1.4 C[C@H]1CCCN1C 2230a_100020605311_200000210301 [1,0,0,1,0,0|2,0,0]=4 5699 B7R1.4 C[C@H]1CCCN1C 269982a_100020605311_200000210301 [1,0,0,1,0,0|2,0,0]=4 5700 B7R1.4 C[C@H]1CCCN1[13CH3] 2230a_100020605311_200025704644 [1,0,0,1,0,0|2,0,0]=4 5701 B7R1.4 C[C@H]1CCCN1[13CH3] 269982a_100020605311_200025704644 [1,0,0,1,0,0|2,0,0]=4 5702 B7R1.6 CCCN1CCC1 269982a_100000754969_100000210303 [1,0,0,1,0,0|2,0,0]=4 5703 B7R1.6 CCOC1CCC1 34a_100000748187_100000210202 [1,0,0,1,0,0|1,0,1]=4 5704 B7R1.6 CCOC1CCC1 34a_100121572206_100000749161 [1,0,0,1,0,0|1,0,1]=4 5705 B7R1.8 CNC1CCC1=O 34a_100102657272_100009892977 [1,0,0,1,0,0|1,0,0]=3 5706 B7R1.8 CNC1CCC1=O 7a_106832991635_100009892977 [1,0,0,1,0,0|1,0,0]=3 5707 B7R1.8 COC1CCC1=O 34a_100138415774_100009892977 [1,0,0,1,0,0|1,0,0]=3 5708 B7R1.8 CSC1CCC1=O 62a_100009892977_200000210301 [1,0,0,1,0,0|1,0,0]=3 5709 B7R1.8 CSC1CCC1=O 62a_200000210301_100009892977 [1,0,0,1,0,0|1,0,0]=3 5710 B7R1.8 [13CH3]SC1CCC1=O 62a_100009892977_200025704644 [1,0,0,1,0,0|1,0,0]=3 5711 B7R1.8 [13CH3]SC1CCC1=O 62a_200025704644_100009892977 [1,0,0,1,0,0|1,0,0]=3 5712 B7R1.10 CCN1CC(C1)C 2230a_100000702820_100000210202 [1,0,0,1,0,0|2,0,0]=4 5713 B7R1.10 CCN1CC(C1)C 269982a_100000702820_100000204670 [1,0,0,1,0,0|2,0,0]=4 5714 B7R1.10 CCN1CC(C1)C 34a_100000702820_100000210202 [1,0,0,1,0,0|2,0,0]=4 5715 B7R1.21 CCOC1(CC1)C 7a_100011725673_100000210202 [1,0,0,1,0,0|1,0,1]=4 5716 B7R1.22 CC(O[13CH3])C1CC1 34a_100000744524_200025704644 [1,0,0,1,0,0|1,0,1]=4 5717 B7R1.22 CC(O[13CH3])C1CC1 7a_100000744524_200025704644 [1,0,0,1,0,0|1,0,1]=4 5718 B7R1.22 CCC(=O)C1CC1 1458a_100000210395_100000210202 [1,0,0,1,0,0|0,0,0]=2 5719 B7R1.22 CCC(=O)C1CO1 1458a_100000701028_100000210202 [1,0,0,1,0,0|1,0,0]=3 5720 B7R1.22 CCN(C)C1CC1 2230a_100000226674_100000210202 [1,0,0,1,0,0|2,0,0]=4 5721 B7R1.22 CCN(C)C1CC1 2230a_100000738653_200000210301 [1,0,0,1,0,0|2,0,0]=4 5722 B7R1.22 CCN(C)C1CC1 269982a_100000225621_100000211595 [1,0,0,1,0,0|2,0,0]=4 5723 B7R1.22 CCN(C)C1CC1 269982a_100000226674_100000204670 [1,0,0,1,0,0|2,0,0]=4 5724 B7R1.22 CCN(C)C1CC1 269982a_100000738653_200000210301 [1,0,0,1,0,0|2,0,0]=4 5725 B7R1.22 CCN([13CH3])C1CC1 2230a_100000738653_200025704644 [1,0,0,1,0,0|2,0,0]=4 5726 B7R1.22 CCN([13CH3])C1CC1 269982a_100000738653_200025704644 [1,0,0,1,0,0|2,0,0]=4 5727 B7R1.22 CNC(=O)C1CC1 11a_106832991635_100000210395 [1,0,0,1,0,0|1,0,0]=3 5728 B7R1.22 CNC(=O)C1CC1 1626a_100102657272_100000210395 [1,0,0,1,0,0|1,0,0]=3 5729 B7R1.22 CNC(=O)C1CC1 240690a_100102657272_100000210395 [1,0,0,1,0,0|1,0,0]=3 5730 B7R1.22 CNC(=O)C1CC1 527a_100102657272_100000210395 [1,0,0,1,0,0|1,0,0]=3 5731 B7R1.22 CNC(=O)C1CO1 11a_106832991635_100000701028 [1,0,0,1,0,0|2,0,0]=4 5732 B7R1.22 CNC(=O)C1CO1 1626a_100102657272_100000701028 [1,0,0,1,0,0|2,0,0]=4 5733 B7R1.22 CNC(=O)C1CO1 240690a_100102657272_100000701028 [1,0,0,1,0,0|2,0,0]=4 5734 B7R1.22 CNC(=O)C1CO1 527a_100102657272_100000701028 [1,0,0,1,0,0|2,0,0]=4 5735 B7R1.22 COC(C)C1CC1 34a_100000744524_200000210301 [1,0,0,1,0,0|1,0,1]=4 5736 B7R1.22 COC(C)C1CC1 7a_100000744524_200000210301 [1,0,0,1,0,0|1,0,1]=4 5737 B7R1.22 O=C(CF)C1CC1 1458a_100000210395_100015361967 [1,0,0,1,0,0|1,0,0]=3 5738 B7R1.22 O=C(CF)C1CO1 1458a_100000701028_100015361967 [1,0,0,1,0,0|2,0,0]=4 5739 B7R1.25 CC1(CCC1)O[13CH3] 34a_100000759064_200025704644 [1,0,0,1,0,0|1,0,1]=4 5740 B7R1.25 CC1(CCC1)O[13CH3] 7a_100000759064_200025704644 [1,0,0,1,0,0|1,0,1]=4 5741 B7R1.25 COC1(CCC1)C 34a_100000759064_200000210301 [1,0,0,1,0,0|1,0,1]=4 5742 B7R1.25 COC1(CCC1)C 7a_100000759064_200000210301 [1,0,0,1,0,0|1,0,1]=4 5743 B7R1.7 CCCNC1CC1 34a_100000212008_100000210303 [1,0,0,1,0,0|2,0,0]=4 5744 B7R1.7 CCCOC1CC1 34a_100000210258_100000211595 [1,0,0,1,0,0|2,0,0]=4 5745 B7R1.7 CCCSC1CC1 62a_100000210303_100000211595 [1,0,0,1,0,0|2,0,0]=4 5746 B7R1.7 CCNCC1CC1 2230a_100000735609_100000210202 [1,0,0,1,0,0|1,0,1]=4 5747 B7R1.7 CCNCC1CC1 2230a_100015525214_100000742324 [1,0,0,1,0,0|1,0,1]=4 5748 B7R1.7 CCNCC1CC1 269862a_100015525214_100000741477 [1,0,0,1,0,0|1,0,1]=4 5749 B7R1.7 CCNCC1CC1 34a_100000735609_100000210202 [1,0,0,1,0,0|1,0,1]=4 5750 B7R1.7 CCOCC1CC1 34a_100000211283_100000210202 [1,0,0,1,0,0|0,0,1]=3 5751 B7R1.7 CCOCC1CC1 34a_100121572206_100000742324 [1,0,0,1,0,0|0,0,1]=3 5752 B7R1.7 CCOCC1CO1 34a_100121572206_102125554688 [1,0,0,1,0,0|1,0,1]=4 5753 B7R1.7 CCOC[C@@H]1CO1 34a_100000757423_100000210202 [1,0,0,1,0,0|1,0,1]=4 5754 B7R1.7 CCSCC1CC1 62a_100000210202_100000742324 [1,0,0,1,0,0|0,1,1]=4 5755 B7R1.7 CCSCC1CC1 62a_100000756562_100000210202 [1,0,0,1,0,0|0,1,1]=4 5756 B7R1.7 FCOCC1CC1 34a_100000211283_100015361967 [1,0,0,1,0,0|1,0,1]=4 5757 B9R1.2 CC1=CC(CCC1)O[13CH3] 34a_100011218613_200025704644 [0,1,0,1,0,0|2,0,0]=4 5758 B9R1.2 CC1CC(CCO1)O[13CH3] 34a_100011986385_200025704644 [0,1,0,1,0,0|1,0,1]=4 5759 B9R1.2 CC1CC(CCO1)O[13CH3] 7a_100011986385_200025704644 [0,1,0,1,0,0|1,0,1]=4 5760 B9R1.2 CCN1CCC=C(C1)C 2230a_100000725631_100000210202 [0,1,0,1,0,0|2,0,0]=4 5761 B9R1.2 CCN1CCC=C(C1)C 269982a_100000725631_100000204670 [0,1,0,1,0,0|2,0,0]=4 5762 B9R1.2 CCN1CCC=C(C1)C 34a_100000725631_100000210202 [0,1,0,1,0,0|2,0,0]=4 5763 B9R1.2 CCN1CCNC(=O)C1 2230a_100000184651_100000210202 [0,1,0,1,0,0|1,0,0]=3 5764 B9R1.2 CCN1CCOC(=O)C1 2230a_100000131268_100000210202 [0,1,0,1,0,0|0,0,0]=2 5765 B9R1.2 CCN1CCOC(C1)C 2230a_100000729577_100000210202 [0,1,0,1,0,0|1,0,1]=4 5766 B9R1.2 CCN1CCOC(C1)C 269982a_100000729577_100000204670 [0,1,0,1,0,0|1,0,1]=4 5767 B9R1.2 CCN1CCOC(C1)C 34a_100000729577_100000210202 [0,1,0,1,0,0|1,0,1]=4 5768 B9R1.2 CCN1CCOC(C1)O 2230a_100000688207_100000210202 [0,1,0,1,0,0|0,0,2]=4 5769 B9R1.2 CCN1CCOC(C1)O 269982a_100000688207_100000204670 [0,1,0,1,0,0|0,0,2]=4 5770 B9R1.2 CNC1CCNC(=O)C1 2230a_100016994916_200000210301 [0,1,0,1,0,0|1,0,0]=3 5771 B9R1.2 CNC1CCNC(=O)C1 34a_100016994916_200000210301 [0,1,0,1,0,0|1,0,0]=3 5772 B9R1.2 CNC1CCOC(C1)C 270004a_106832991635_100000755752 [0,1,0,1,0,0|1,0,1]=4 5773 B9R1.2 COC1C=C(CCC1)C 34a_100011218613_200000210301 [0,1,0,1,0,0|2,0,0]=4 5774 B9R1.2 COC1CCCC(=O)C1 34a_100012613340_200000210301 [0,1,0,1,0,0|1,0,0]=3 5775 B9R1.2 COC1CCOC(C1)C 34a_100011986385_200000210301 [0,1,0,1,0,0|1,0,1]=4 5776 B9R1.2 COC1CCOC(C1)C 7a_100011986385_200000210301 [0,1,0,1,0,0|1,0,1]=4 5777 B9R1.2 CO[C@@H]1CCNC(=O)C1 34a_100015189427_200000210301 [0,1,0,1,0,0|1,0,0]=3 5778 B9R1.2 [13CH3]NC1CCNC(=O)C1 2230a_100016994916_200025704644 [0,1,0,1,0,0|1,0,0]=3 5779 B9R1.2 [13CH3]NC1CCNC(=O)C1 34a_100016994916_200025704644 [0,1,0,1,0,0|1,0,0]=3 5780 B9R1.2 [13CH3]OC1CCCC(=O)C1 34a_100012613340_200025704644 [0,1,0,1,0,0|1,0,0]=3 5781 B9R1.2 [13CH3]O[C@@H]1CCNC(=O)C1 34a_100015189427_200025704644 [0,1,0,1,0,0|1,0,0]=3 5782 B9R1.7 CCCc1nc(no1)C 270196a_100000212224_100000211992 [0,1,0,1,0,0|1,0,1]=4 5783 B9R1.7 CCCc1noc(n1)C 270196a_100011193412_100000070787 [0,1,0,1,0,0|1,0,1]=4 5784 B9R1.7 CCOC1CCC(C1)C 34a_100000698185_100000210202 [0,1,0,1,0,0|1,0,1]=4 5785 B9R1.7 CCO[C@H]1CCN(C1)C 2230a_100011787710_200000210301 [0,1,0,1,0,0|1,0,1]=4 5786 B9R1.7 CCO[C@H]1CCN(C1)C 269982a_100011787710_200000210301 [0,1,0,1,0,0|1,0,1]=4 5787 B9R1.7 CCO[C@H]1CCN(C1)C 34a_100011787710_200000210301 [0,1,0,1,0,0|1,0,1]=4 5788 B9R1.7 CCO[C@H]1CCN(C1)[13CH3] 2230a_100011787710_200025704644 [0,1,0,1,0,0|1,0,1]=4 5789 B9R1.7 CCO[C@H]1CCN(C1)[13CH3] 269982a_100011787710_200025704644 [0,1,0,1,0,0|1,0,1]=4 5790 B9R1.7 CCO[C@H]1CCN(C1)[13CH3] 34a_100011787710_200025704644 [0,1,0,1,0,0|1,0,1]=4 5791 B9R1.8 CCCN1CCCOC1 2230a_100000131196_100000210303 [0,1,0,1,0,0|2,0,0]=4 5792 B9R1.8 CCCN1CCCOC1 269982a_100000131196_100000210303 [0,1,0,1,0,0|2,0,0]=4 5793 B9R1.8 CCCN1CCCOC1 34a_100000131196_100000210303 [0,1,0,1,0,0|2,0,0]=4 5794 B9R1.8 CCOC1C=CCCC1 34a_100011215024_100000210202 [0,1,0,1,0,0|1,0,1]=4 5795 B9R1.8 CCOC1CCCCC1 34a_100000210231_100000210202 [0,1,0,1,0,0|1,0,1]=4 5796 B9R1.8 CCOC1CCCCC1 34a_100121572206_100000210327 [0,1,0,1,0,0|1,0,1]=4 5797 B9R1.8 CCOC1CCCCC1 7a_100000210231_100000210202 [0,1,0,1,0,0|1,0,1]=4 5798 B9R1.8 CCOC1CCCCO1 34a_100000033831_100000210202 [0,1,0,1,0,0|0,0,2]=4 5799 B9R1.8 CCOC1CCCOC1 34a_100000754041_100000210202 [0,1,0,1,0,0|0,0,2]=4 5800 B9R1.8 CCOC1CCCOC1 34a_100121572206_100000693364 [0,1,0,1,0,0|0,0,2]=4 5801 B9R1.8 CCOC1CCCSC1 7a_100015962668_100000210202 [0,1,0,1,0,0|0,1,1]=4 5802 B9R1.8 CCOC1CCOCC1 34a_100000744328_100000210202 [0,1,0,1,0,0|1,0,1]=4 5803 B9R1.8 CCOC1CCSCC1 34a_100000731022_100000210202 [0,1,0,1,0,0|1,0,1]=4 5804 B9R1.8 CCOC1CCSCC1 34a_100121572206_100000069128 [0,1,0,1,0,0|1,0,1]=4 5805 B9R1.8 CCOC1CCSCC1 7a_100000731022_100000210202 [0,1,0,1,0,0|1,0,1]=4 5806 B9R1.9 CCOCN1CC(C1)C 269982a_100000702820_100000739092 [0,1,0,1,0,0|2,0,0]=4 5807 B9R1.12 BrCCOC1CCCC1 34a_100000211926_100000179811 [0,1,0,1,0,0|1,0,1]=4 5808 B9R1.12 CCCOC1CCCC1 34a_100000210258_100000179811 [0,1,0,1,0,0|1,0,1]=4 5809 B9R1.12 CCCOC1CCCC1 34a_100000210269_100000210303 [0,1,0,1,0,0|1,0,1]=4 5810 B9R1.12 CCCOC1CCCC1 7a_100000210269_100000210303 [0,1,0,1,0,0|1,0,1]=4 5811 B9R1.12 CCCOC1CCCO1 34a_100000085407_100000210303 [0,1,0,1,0,0|0,0,2]=4 5812 B9R1.12 CCNCC1CCCO1 2230a_100015525214_100000203698 [0,1,0,1,0,0|1,0,1]=4 5813 B9R1.12 CCNCC1OCCO1 2230a_100000036311_100000210202 [0,1,0,1,0,0|0,0,2]=4 5814 B9R1.12 CCNCC1OCCO1 2230a_100015525214_100000755774 [0,1,0,1,0,0|0,0,2]=4 5815 B9R1.12 CCNCC1OCCO1 34a_100000036311_100000210202 [0,1,0,1,0,0|0,0,2]=4 5816 B9R1.12 CCNC[C@@H]1CCCO1 2230a_100020590478_100000210202 [0,1,0,1,0,0|1,0,1]=4 5817 B9R1.12 CCNC[C@@H]1CCCO1 34a_100020590478_100000210202 [0,1,0,1,0,0|1,0,1]=4 5818 B9R1.12 CCNN=C1CCCC1 4a_100000756455_100000210133 [0,1,0,1,0,0|2,0,0]=4 5819 B9R1.12 CCOCC1=NCCN1 34a_100121572206_100000737910 [0,1,0,1,0,0|2,0,0]=4 5820 B9R1.12 CCOCC1CCCC1 34a_100000742336_100000210202 [0,1,0,1,0,0|1,0,1]=4 5821 B9R1.12 CCOCC1CCCC1 34a_100121572206_100000740388 [0,1,0,1,0,0|1,0,1]=4 5822 B9R1.12 CCOCC1CCCC1 7a_100000742336_100000210202 [0,1,0,1,0,0|1,0,1]=4 5823 B9R1.12 CCOCC1CCCO1 34a_100000210270_100000210202 [0,1,0,1,0,0|0,0,2]=4 5824 B9R1.12 CCOCC1CCCO1 7a_100000210270_100000210202 [0,1,0,1,0,0|0,0,2]=4 5825 B9R1.12 CCOCC1OCCO1 34a_100000087154_100000210202 [0,1,0,1,0,0|0,0,2]=4 5826 B9R1.12 CCOCC1OCCO1 34a_100121572206_100000755774 [0,1,0,1,0,0|0,0,2]=4 5827 B9R1.12 CCOCN1CCCC1 269982a_100000188435_100000739092 [0,1,0,1,0,0|2,0,0]=4 5828 B9R1.12 CCOC[C@H]1CCCN1 34a_100000745186_100000210202 [0,1,0,1,0,0|1,0,1]=4 5829 B9R1.12 CCSCC1=NCCN1 62a_100000210202_100000737910 [0,1,0,1,0,0|2,0,0]=4 5830 B9R1.12 CCSCC1=NCCN1 62a_100000737910_100000210202 [0,1,0,1,0,0|2,0,0]=4 5831 B9R1.12 CCSCC1CCCO1 62a_100000203698_100000210202 [0,1,0,1,0,0|1,0,1]=4 5832 B9R1.12 CCSCC1CCCO1 62a_100000210202_100000203698 [0,1,0,1,0,0|1,0,1]=4 5833 B9R1.12 CCSCC1OCCO1 62a_100000210202_100000755774 [0,1,0,1,0,0|0,0,2]=4 5834 B9R1.12 CCSCC1OCCO1 62a_100000755774_100000210202 [0,1,0,1,0,0|0,0,2]=4 5835 B9R1.12 CNCCC1OCCO1 2230a_100000034215_200000210301 [0,1,0,1,0,0|0,0,2]=4 5836 B9R1.12 CNCCC1OCCO1 2230a_106832991635_100000740749 [0,1,0,1,0,0|0,0,2]=4 5837 B9R1.12 CNCCC1OCCO1 34a_100000034215_200000210301 [0,1,0,1,0,0|0,0,2]=4 5838 B9R1.12 CNCCC1OCCO1 34a_100102657272_100000740749 [0,1,0,1,0,0|0,0,2]=4 5839 B9R1.12 CNCCC1OCCO1 7a_106832991635_100000740749 [0,1,0,1,0,0|0,0,2]=4 5840 B9R1.12 COCCC1OCCO1 34a_100138415774_100000740749 [0,1,0,1,0,0|0,0,2]=4 5841 B9R1.12 CSCCC1OCCO1 62a_200000210301_100000740749 [0,1,0,1,0,0|0,0,2]=4 5842 B9R1.12 CSCOC1CCCC1 34a_100000210269_100011218213 [0,1,0,1,0,0|1,0,1]=4 5843 B9R1.12 CSCOC1CCCO1 34a_100000085407_100011218213 [0,1,0,1,0,0|0,0,2]=4 5844 B9R1.12 FCCOC1CCCC1 34a_100000210269_100011217306 [0,1,0,1,0,0|1,0,1]=4 5845 B9R1.12 FCCOC1CCCC1 7a_100000210269_100011217306 [0,1,0,1,0,0|1,0,1]=4 5846 B9R1.12 FCCOC1CCCO1 34a_100000085407_100011217306 [0,1,0,1,0,0|0,0,2]=4 5847 B9R1.12 NCCOC1CCCC1 34a_100000210304_100000179811 [0,1,0,1,0,0|1,0,1]=4 5848 B9R1.12 OCCOC1CCCC1 34a_100000210269_100000211926 [0,1,0,1,0,0|1,0,1]=4 5849 B9R1.12 OCCOC1CCCC1 7a_100000210269_100000211926 [0,1,0,1,0,0|1,0,1]=4 5850 B9R1.12 OCCOC1CCCO1 34a_100000085407_100000211926 [0,1,0,1,0,0|0,0,2]=4 5851 B9R1.12 [13CH3]NCCC1OCCO1 2230a_100000034215_200025704644 [0,1,0,1,0,0|0,0,2]=4 5852 B9R1.12 [13CH3]NCCC1OCCO1 34a_100000034215_200025704644 [0,1,0,1,0,0|0,0,2]=4 5853 B9R1.12 [13CH3]SCCC1OCCO1 62a_200025704644_100000740749 [0,1,0,1,0,0|0,0,2]=4 5854 B9R1.15 CNC1CCCCC1=O 34a_100102657272_100000754470 [0,1,0,1,0,0|2,0,0]=4 5855 B9R1.15 CNC1CCCCC1=O 7a_106832991635_100000204591 [0,1,0,1,0,0|2,0,0]=4 5856 B9R1.15 CNC1CCCNC1=O 2230a_100000747585_200000210301 [0,1,0,1,0,0|2,0,0]=4 5857 B9R1.15 CNC1CCCNC1=O 2230a_106832991635_100000687798 [0,1,0,1,0,0|2,0,0]=4 5858 B9R1.15 CNC1CCCNC1=O 34a_100000747585_200000210301 [0,1,0,1,0,0|2,0,0]=4 5859 B9R1.15 CNC1CCCNC1=O 34a_100102657272_100000687798 [0,1,0,1,0,0|2,0,0]=4 5860 B9R1.15 CNC1CCCNC1=O 7a_106832991635_100000687798 [0,1,0,1,0,0|2,0,0]=4 5861 B9R1.15 CNC1COCCC1=O 34a_100102657272_100012180262 [0,1,0,1,0,0|2,0,0]=4 5862 B9R1.15 CNC1COCCC1=O 7a_106832991635_100012180262 [0,1,0,1,0,0|2,0,0]=4 5863 B9R1.15 COC1CCCCC1=O 34a_100011214950_200000210301 [0,1,0,1,0,0|2,0,0]=4 5864 B9R1.15 COC1CCCCC1=O 34a_100138415774_100000754470 [0,1,0,1,0,0|2,0,0]=4 5865 B9R1.15 COC1CCCNC1=O 34a_100000073722_200000210301 [0,1,0,1,0,0|2,0,0]=4 5866 B9R1.15 COC1CCCNC1=O 34a_100138415774_100000687798 [0,1,0,1,0,0|2,0,0]=4 5867 B9R1.15 COC1COCCC1=O 34a_100138415774_100012180262 [0,1,0,1,0,0|2,0,0]=4 5868 B9R1.15 CSC1CCCCC1=O 62a_100000204591_200000210301 [0,1,0,1,0,0|2,0,0]=4 5869 B9R1.15 CSC1CCCCC1=O 62a_200000210301_100000204591 [0,1,0,1,0,0|2,0,0]=4 5870 B9R1.15 CSC1CCCNC1=O 62a_100000687798_200000210301 [0,1,0,1,0,0|2,0,0]=4 5871 B9R1.15 CSC1CCCNC1=O 62a_200000210301_100000687798 [0,1,0,1,0,0|2,0,0]=4 5872 B9R1.15 CSC1COCCC1=O 62a_100012180262_200000210301 [0,1,0,1,0,0|2,0,0]=4 5873 B9R1.15 CSC1COCCC1=O 62a_200000210301_100012180262 [0,1,0,1,0,0|2,0,0]=4 5874 B9R1.15 [13CH3]NC1CCCNC1=O 2230a_100000747585_200025704644 [0,1,0,1,0,0|2,0,0]=4 5875 B9R1.15 [13CH3]NC1CCCNC1=O 34a_100000747585_200025704644 [0,1,0,1,0,0|2,0,0]=4 5876 B9R1.15 [13CH3]OC1CCCCC1=O 34a_100011214950_200025704644 [0,1,0,1,0,0|2,0,0]=4 5877 B9R1.15 [13CH3]OC1CCCNC1=O 34a_100000073722_200025704644 [0,1,0,1,0,0|2,0,0]=4 5878 B9R1.15 [13CH3]SC1CCCCC1=O 62a_100000204591_200025704644 [0,1,0,1,0,0|2,0,0]=4 5879 B9R1.15 [13CH3]SC1CCCCC1=O 62a_200025704644_100000204591 [0,1,0,1,0,0|2,0,0]=4 5880 B9R1.15 [13CH3]SC1CCCNC1=O 62a_100000687798_200025704644 [0,1,0,1,0,0|2,0,0]=4 5881 B9R1.15 [13CH3]SC1CCCNC1=O 62a_200025704644_100000687798 [0,1,0,1,0,0|2,0,0]=4 5882 B9R1.15 [13CH3]SC1COCCC1=O 62a_100012180262_200025704644 [0,1,0,1,0,0|2,0,0]=4 5883 B9R1.15 [13CH3]SC1COCCC1=O 62a_200025704644_100012180262 [0,1,0,1,0,0|2,0,0]=4 5884 B9R1.22 CC1CC(C(=O)O1)S[13CH3] 62a_200000216747_200025704644 [0,1,0,1,0,0|1,0,0]=3 5885 B9R1.22 CC1CC(C(=O)O1)S[13CH3] 62a_200025704644_200000216747 [0,1,0,1,0,0|1,0,0]=3 5886 B9R1.22 CNC1CC(OC1=O)C 2230a_106832991635_200000216747 [0,1,0,1,0,0|1,0,0]=3 5887 B9R1.22 CNC1CC(OC1=O)C 34a_100102657272_200000216747 [0,1,0,1,0,0|1,0,0]=3 5888 B9R1.22 CNC1CC(OC1=O)C 7a_106832991635_200000216747 [0,1,0,1,0,0|1,0,0]=3 5889 B9R1.22 COC1CC(OC1=O)C 34a_100138415774_200000216747 [0,1,0,1,0,0|1,0,0]=3 5890 B9R1.22 CSC1CC(OC1=O)C 62a_200000210301_200000216747 [0,1,0,1,0,0|1,0,0]=3 5891 B9R1.22 CSC1CC(OC1=O)C 62a_200000216747_200000210301 [0,1,0,1,0,0|1,0,0]=3 5892 B9R1.27 CNC1C(=O)COC1=O 34a_100102657272_100000032967 [0,1,0,1,0,0|1,0,1]=4 5893 B9R1.27 COC1C(=O)COC1=O 34a_100138415774_100000032967 [0,1,0,1,0,0|1,0,1]=4 5894 B9R1.27 CSC1C(=O)COC1=O 62a_200000210301_100000032967 [0,1,0,1,0,0|1,0,1]=4 5895 B9R1.27 [13CH3]SC1C(=O)COC1=O 62a_200025704644_100000032967 [0,1,0,1,0,0|1,0,1]=4 5896 B9R1.33 CCNC1CCCC1=O 2230a_100015525214_100000211823 [0,1,0,1,0,0|1,0,0]=3 5897 B9R1.33 CCNC1CCNC1=O 2230a_100016995588_100000210202 [0,1,0,1,0,0|1,0,0]=3 5898 B9R1.33 CCNC1CCNC1=O 34a_100016995588_100000210202 [0,1,0,1,0,0|1,0,0]=3 5899 B9R1.33 CCNC1CCOC1=O 2230a_100015525214_100000211211 [0,1,0,1,0,0|0,0,0]=2 5900 B9R1.33 CCNC1CCOC1C 270004a_100015525214_100000691750 [0,1,0,1,0,0|1,0,1]=4 5901 B9R1.33 CCN[C@@H]1CONC1=O 2230a_100000765999_100000210202 [0,1,0,1,0,0|2,0,0]=4 5902 B9R1.33 CCN[C@@H]1CONC1=O 34a_100000765999_100000210202 [0,1,0,1,0,0|2,0,0]=4 5903 B9R1.33 CCOC1CCCC1=O 34a_100121572206_100000709159 [0,1,0,1,0,0|0,0,0]=2 5904 B9R1.33 CCOC1CCCC1=O 34a_200000719330_100000210202 [0,1,0,1,0,0|0,0,0]=2 5905 B9R1.33 CCOC1CCCC1C 34a_100011216460_100000210202 [0,1,0,1,0,0|1,0,1]=4 5906 B9R1.33 CCOC1CCCC1C 7a_100011216460_100000210202 [0,1,0,1,0,0|1,0,1]=4 5907 B9R1.33 CCOC1CCOC1=O 34a_100121572206_100000211211 [0,1,0,1,0,0|0,0,0]=2 5908 B9R1.33 CCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000210202 [0,1,0,1,0,0|1,0,1]=4 5909 B9R1.33 CCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000210202 [0,1,0,1,0,0|1,0,1]=4 5910 B9R1.33 CCO[C@H]1CCNC1=O 34a_100000688343_100000210202 [0,1,0,1,0,0|1,0,0]=3 5911 B9R1.33 CCSC1CCCC1=O 62a_100000210202_100000211823 [0,1,0,1,0,0|0,1,0]=3 5912 B9R1.33 CCSC1CCCC1=O 62a_100000211823_100000210202 [0,1,0,1,0,0|0,1,0]=3 5913 B9R1.33 CCSC1CCOC1=O 62a_100000210202_100000211211 [0,1,0,1,0,0|0,0,0]=2 5914 B9R1.33 CCSC1CCOC1=O 62a_100000211211_100000210202 [0,1,0,1,0,0|0,0,0]=2 5915 B9R1.33 COCC1=CCCC1=O 34a_100000087531_200000210301 [0,1,0,1,0,0|1,0,1]=4 5916 B9R1.33 COCC1CCNC1=O 34a_100000133458_200000210301 [0,1,0,1,0,0|1,0,0]=3 5917 B9R1.33 CSCN1CCCC1=O 62a_100000026320_200000210301 [0,1,0,1,0,0|1,0,0]=3 5918 B9R1.33 CSCN1CCCC1=O 62a_200000210301_100000026320 [0,1,0,1,0,0|1,0,0]=3 5919 B9R1.33 O=C1CCCC1OCF 34a_200000719330_100015361967 [0,1,0,1,0,0|1,0,0]=3 5920 B9R1.33 O=C1CCCC1SCF 62a_100000211823_100015361967 [0,1,0,1,0,0|1,1,0]=4 5921 B9R1.33 O=C1CCCC1SCF 62a_100015361967_100000211823 [0,1,0,1,0,0|1,1,0]=4 5922 B9R1.33 O=C1NCCC1NCF 34a_100016995588_100015361967 [0,1,0,1,0,0|2,0,0]=4 5923 B9R1.33 O=C1NCC[C@@H]1OCF 34a_100000688343_100015361967 [0,1,0,1,0,0|2,0,0]=4 5924 B9R1.33 O=C1OCCC1SCF 62a_100000211211_100015361967 [0,1,0,1,0,0|1,0,0]=3 5925 B9R1.33 O=C1OCCC1SCF 62a_100015361967_100000211211 [0,1,0,1,0,0|1,0,0]=3 5926 B9R1.33 [13CH3]OCC1=CCCC1=O 34a_100000087531_200025704644 [0,1,0,1,0,0|1,0,1]=4 5927 B9R1.33 [13CH3]OCC1CCNC1=O 34a_100000133458_200025704644 [0,1,0,1,0,0|1,0,0]=3 5928 B9R1.33 [13CH3]SCN1CCCC1=O 62a_100000026320_200025704644 [0,1,0,1,0,0|1,0,0]=3 5929 B9R1.33 [13CH3]SCN1CCCC1=O 62a_200025704644_100000026320 [0,1,0,1,0,0|1,0,0]=3 5930 B9R1.48 CN1CCCNC(=O)C1 2230a_100015190381_200000210301 [0,1,0,1,0,0|2,0,0]=4 5931 B9R1.48 [13CH3]N1CCCNC(=O)C1 2230a_100015190381_200025704644 [0,1,0,1,0,0|2,0,0]=4 5932 B9R1.49 CN1CCNC(=O)CC1 2230a_100000698595_200000210301 [0,1,0,1,0,0|1,0,0]=3 5933 B9R1.49 CN1CCNC(=O)CC1 269982a_100000698595_200000210301 [0,1,0,1,0,0|1,0,0]=3 5934 B9R1.49 [13CH3]N1CCNC(=O)CC1 2230a_100000698595_200025704644 [0,1,0,1,0,0|1,0,0]=3 5935 B9R1.49 [13CH3]N1CCNC(=O)CC1 269982a_100000698595_200025704644 [0,1,0,1,0,0|1,0,0]=3 5936 B9R1.58 CCOC1CN(C1)CC 269982a_100000732654_100000204670 [0,1,0,1,0,0|1,0,1]=4 5937 B9R1.58 CCOC1CN(C1)CC 34a_100000732654_100000210202 [0,1,0,1,0,0|1,0,1]=4 5938 B9R1.69 CN1CCN(C(=O)C1)C 2230a_100000187256_200000210301 [0,1,0,1,0,0|2,0,0]=4 5939 B9R1.69 CN1CCN(C(=O)C1)C 269982a_100000187256_200000210301 [0,1,0,1,0,0|2,0,0]=4 5940 B9R1.69 CN1CCN(CC1=O)[13CH3] 2230a_100000187256_200025704644 [0,1,0,1,0,0|2,0,0]=4 5941 B9R1.69 CN1CCN(CC1=O)[13CH3] 269982a_100000187256_200025704644 [0,1,0,1,0,0|2,0,0]=4 5942 B9R1.73 C#CCC(=O)C1CCO1 1458a_100000089072_100000184674 [0,1,0,1,0,0|0,0,2]=4 5943 B9R1.73 C=CCC(=O)C1CCO1 1458a_100000089072_100000210623 [0,1,0,1,0,0|0,0,2]=4 5944 B9R1.73 CC#CC(=O)C1CCC1 1458a_100000763181_100000749161 [0,1,0,1,0,0|1,0,1]=4 5945 B9R1.73 CC#CC(=O)C1COC1 1458a_100000763181_100000687716 [0,1,0,1,0,0|1,0,1]=4 5946 B9R1.73 CC=CC(=O)C1CCC1 1458a_100000210699_100000749161 [0,1,0,1,0,0|1,0,1]=4 5947 B9R1.73 CC=CC(=O)C1COC1 1458a_100000210699_100000687716 [0,1,0,1,0,0|1,0,1]=4 5948 B9R1.73 CC=CC(=O)N1CCC1 11a_100000754969_100000210699 [0,1,0,1,0,0|1,0,1]=4 5949 B9R1.73 CC=CC(=O)N1CCC1 240690a_100000754969_100000210699 [0,1,0,1,0,0|1,0,1]=4 5950 B9R1.73 CCCC(=O)C1CCC1 1458a_100000209988_100000210303 [0,1,0,1,0,0|1,0,0]=3 5951 B9R1.73 CCCC(=O)C1CCC1 1458a_100000211992_100000749161 [0,1,0,1,0,0|1,0,0]=3 5952 B9R1.73 CCCC(=O)C1CCO1 1458a_100000089072_100000210303 [0,1,0,1,0,0|0,0,0]=2 5953 B9R1.73 CCCC(=O)C1COC1 1458a_100000211992_100000687716 [0,1,0,1,0,0|1,0,0]=3 5954 B9R1.73 CCCC(=O)C1COC1 1458a_100000758290_100000210303 [0,1,0,1,0,0|1,0,0]=3 5955 B9R1.73 CCCC(=O)N1CCC1 11a_100000754969_100000211992 [0,1,0,1,0,0|1,0,0]=3 5956 B9R1.73 CCCC(=O)N1CCC1 240690a_100000754969_100000211992 [0,1,0,1,0,0|1,0,0]=3 5957 B9R1.73 CCCC(=O)N1CCC1 527a_100000754969_100000211992 [0,1,0,1,0,0|1,0,0]=3 5958 B9R1.73 CCNC(=O)C1CCC1 11a_100015525214_100000209988 [0,1,0,1,0,0|1,0,0]=3 5959 B9R1.73 CCNC(=O)C1CCC1 240690a_100015525214_100000209988 [0,1,0,1,0,0|1,0,0]=3 5960 B9R1.73 CCNC(=O)C1CCC1 527a_100015525214_100000209988 [0,1,0,1,0,0|1,0,0]=3 5961 B9R1.73 CCNC(=O)C1CCO1 11a_100015525214_100000089072 [0,1,0,1,0,0|1,0,0]=3 5962 B9R1.73 CCNC(=O)C1CCO1 240690a_100015525214_100000089072 [0,1,0,1,0,0|1,0,0]=3 5963 B9R1.73 CCNC(=O)C1CCO1 527a_100015525214_100000089072 [0,1,0,1,0,0|1,0,0]=3 5964 B9R1.73 CCNC(=O)C1COC1 11a_100015525214_100000758290 [0,1,0,1,0,0|1,0,0]=3 5965 B9R1.73 CCNC(=O)C1COC1 240690a_100015525214_100000758290 [0,1,0,1,0,0|1,0,0]=3 5966 B9R1.73 CCNC(=O)C1COC1 527a_100015525214_100000758290 [0,1,0,1,0,0|1,0,0]=3 5967 B9R1.73 CCNC(=O)N1CCC1 2708a_100015525214_100000754969 [0,1,0,1,0,0|1,0,0]=3 5968 B9R1.73 CCNC(=O)N1CCC1 273464a_100015525214_100000754969 [0,1,0,1,0,0|1,0,0]=3 5969 B9R1.73 CCOC(C)C1CCC1 34a_100000766398_100000210202 [0,1,0,1,0,0|1,0,1]=4 5970 B9R1.73 CCOC(C)C1CCC1 7a_100000766398_100000210202 [0,1,0,1,0,0|1,0,1]=4 5971 B9R1.73 CNCC(=O)C1CCC1 2230a_106832991635_100000686122 [0,1,0,1,0,0|2,0,0]=4 5972 B9R1.73 CNCC(=O)C1CCC1 34a_100102657272_100000686122 [0,1,0,1,0,0|2,0,0]=4 5973 B9R1.73 CNCC(=O)C1CCC1 7a_106832991635_100000686122 [0,1,0,1,0,0|2,0,0]=4 5974 B9R1.73 CNCC(=O)N1CCC1 2230a_106832991635_100000185095 [0,1,0,1,0,0|2,0,0]=4 5975 B9R1.73 CNCC(=O)N1CCC1 34a_100102657272_100000185095 [0,1,0,1,0,0|2,0,0]=4 5976 B9R1.73 CNCC(=O)N1CCC1 7a_106832991635_100000185095 [0,1,0,1,0,0|2,0,0]=4 5977 B9R1.73 CNNC(=O)C1CCC1 22a_100016993582_100000209988 [0,1,0,1,0,0|2,0,0]=4 5978 B9R1.73 CNNC(=O)C1CCO1 22a_100016993582_100000089072 [0,1,0,1,0,0|2,0,0]=4 5979 B9R1.73 CNNC(=O)C1COC1 22a_100016993582_100000758290 [0,1,0,1,0,0|2,0,0]=4 5980 B9R1.73 COCC(=O)C1CCC1 1458a_100000210968_100000749161 [0,1,0,1,0,0|2,0,0]=4 5981 B9R1.73 COCC(=O)C1CCC1 34a_100138415774_100000686122 [0,1,0,1,0,0|2,0,0]=4 5982 B9R1.73 COCC(=O)C1COC1 1458a_100000210968_100000687716 [0,1,0,1,0,0|2,0,0]=4 5983 B9R1.73 COCC(=O)N1CCC1 11a_100000754969_100000210968 [0,1,0,1,0,0|2,0,0]=4 5984 B9R1.73 COCC(=O)N1CCC1 240690a_100000754969_100000210968 [0,1,0,1,0,0|2,0,0]=4 5985 B9R1.73 COCC(=O)N1CCC1 34a_100138415774_100000185095 [0,1,0,1,0,0|2,0,0]=4 5986 B9R1.73 COCC(=O)N1CCC1 527a_100000754969_100000210968 [0,1,0,1,0,0|2,0,0]=4 5987 B9R1.73 CSCC(=O)C1CCC1 1458a_100000184570_100000749161 [0,1,0,1,0,0|2,0,0]=4 5988 B9R1.73 CSCC(=O)C1CCC1 62a_100000686122_200000210301 [0,1,0,1,0,0|2,0,0]=4 5989 B9R1.73 CSCC(=O)C1CCC1 62a_200000210301_100000686122 [0,1,0,1,0,0|2,0,0]=4 5990 B9R1.73 CSCC(=O)C1COC1 1458a_100000184570_100000687716 [0,1,0,1,0,0|2,0,0]=4 5991 B9R1.73 CSCC(=O)N1CCC1 11a_100000754969_100000184570 [0,1,0,1,0,0|2,0,0]=4 5992 B9R1.73 CSCC(=O)N1CCC1 240690a_100000754969_100000184570 [0,1,0,1,0,0|2,0,0]=4 5993 B9R1.73 CSCC(=O)N1CCC1 527a_100000754969_100000184570 [0,1,0,1,0,0|2,0,0]=4 5994 B9R1.73 CSCC(=O)N1CCC1 62a_100000185095_200000210301 [0,1,0,1,0,0|2,0,0]=4 5995 B9R1.73 CSCC(=O)N1CCC1 62a_200000210301_100000185095 [0,1,0,1,0,0|2,0,0]=4 5996 B9R1.73 N#CCC(=O)C1CCO1 1458a_100000089072_100011214920 [0,1,0,1,0,0|1,0,1]=4 5997 B9R1.73 O=C(CCF)C1CCC1 1458a_100000209988_100011217306 [0,1,0,1,0,0|2,0,0]=4 5998 B9R1.73 O=C(CCF)C1CCO1 1458a_100000089072_100011217306 [0,1,0,1,0,0|1,0,0]=3 5999 B9R1.73 O=C(CCF)C1COC1 1458a_100000758290_100011217306 [0,1,0,1,0,0|2,0,0]=4 6000 B9R1.73 O=C(CCO)C1CCC1 1458a_100000209988_100000211926 [0,1,0,1,0,0|2,0,0]=4 6001 B9R1.73 O=C(CCO)C1CCC1 1458a_100011216618_100000749161 [0,1,0,1,0,0|2,0,0]=4 6002 B9R1.73 O=C(CCO)C1CCO1 1458a_100000089072_100000211926 [0,1,0,1,0,0|1,0,0]=3 6003 B9R1.73 O=C(CCO)C1COC1 1458a_100000758290_100000211926 [0,1,0,1,0,0|2,0,0]=4 6004 B9R1.73 O=C(CCO)C1COC1 1458a_100011216618_100000687716 [0,1,0,1,0,0|2,0,0]=4 6005 B9R1.73 O=C(CCO)N1CCC1 240690a_100000754969_100011216618 [0,1,0,1,0,0|2,0,0]=4 6006 B9R1.73 [13CH3]SCC(=O)C1CCC1 62a_100000686122_200025704644 [0,1,0,1,0,0|2,0,0]=4 6007 B9R1.73 [13CH3]SCC(=O)C1CCC1 62a_200025704644_100000686122 [0,1,0,1,0,0|2,0,0]=4 6008 B9R1.73 [13CH3]SCC(=O)N1CCC1 62a_100000185095_200025704644 [0,1,0,1,0,0|2,0,0]=4 6009 B9R1.73 [13CH3]SCC(=O)N1CCC1 62a_200025704644_100000185095 [0,1,0,1,0,0|2,0,0]=4 6010 B9R1.75 CC#CC(=O)CC1CC1 1458a_100000763181_100000742324 [0,1,0,1,0,0|1,0,1]=4 6011 B9R1.75 CC#CC(=O)CC1CO1 1458a_100000763181_100011216344 [0,1,0,1,0,0|1,0,1]=4 6012 B9R1.75 CC#CC(=O)CC1CS1 1458a_100000763181_100000031435 [0,1,0,1,0,0|1,0,1]=4 6013 B9R1.75 CC#CC(=O)C[C@@H]1CO1 1458a_100000763181_100000745022 [0,1,0,1,0,0|1,0,1]=4 6014 B9R1.75 CC=CC(=O)CC1CC1 1458a_100000210699_100000742324 [0,1,0,1,0,0|1,0,1]=4 6015 B9R1.75 CC=CC(=O)CC1CO1 1458a_100000210699_100011216344 [0,1,0,1,0,0|1,0,1]=4 6016 B9R1.75 CC=CC(=O)CC1CS1 1458a_100000210699_100000031435 [0,1,0,1,0,0|1,0,1]=4 6017 B9R1.75 CC=CC(=O)C[C@@H]1CO1 1458a_100000210699_100000745022 [0,1,0,1,0,0|1,0,1]=4 6018 B9R1.75 CC=CC(=O)NC1CC1 1626a_100000212008_100000210699 [0,1,0,1,0,0|1,0,1]=4 6019 B9R1.75 CC=CC(=O)NC1CC1 240690a_100000212008_100000210699 [0,1,0,1,0,0|1,0,1]=4 6020 B9R1.75 CCCC(=O)CC1CC1 1458a_100000211992_100000742324 [0,1,0,1,0,0|1,0,0]=3 6021 B9R1.75 CCCC(=O)CC1CC1 1458a_100000738066_100000210303 [0,1,0,1,0,0|1,0,0]=3 6022 B9R1.75 CCCC(=O)CC1CO1 1458a_100000211992_100011216344 [0,1,0,1,0,0|1,0,0]=3 6023 B9R1.75 CCCC(=O)CC1CS1 1458a_100000211992_100000031435 [0,1,0,1,0,0|1,0,0]=3 6024 B9R1.75 CCCC(=O)C[C@@H]1CO1 1458a_100000211992_100000745022 [0,1,0,1,0,0|1,0,0]=3 6025 B9R1.75 CCCC(=O)NC1CC1 1626a_100000212008_100000211992 [0,1,0,1,0,0|1,0,0]=3 6026 B9R1.75 CCCC(=O)NC1CC1 240690a_100000212008_100000211992 [0,1,0,1,0,0|1,0,0]=3 6027 B9R1.75 CCCC(=O)NC1CC1 527a_100000212008_100000211992 [0,1,0,1,0,0|1,0,0]=3 6028 B9R1.75 CCCC(C)OC1CC1 34a_100000764384_100000211595 [0,1,0,1,0,0|1,0,1]=4 6029 B9R1.75 CCNC(=O)CC1CC1 11a_100015525214_100000738066 [0,1,0,1,0,0|1,0,0]=3 6030 B9R1.75 CCNC(=O)CC1CC1 240690a_100015525214_100000738066 [0,1,0,1,0,0|1,0,0]=3 6031 B9R1.75 CCNC(=O)CC1CC1 527a_100015525214_100000738066 [0,1,0,1,0,0|1,0,0]=3 6032 B9R1.75 CCNC(=O)NC1CC1 2708a_100000212008_100015525214 [0,1,0,1,0,0|1,0,0]=3 6033 B9R1.75 CCNC(=O)NC1CC1 2708a_100015525214_100000212008 [0,1,0,1,0,0|1,0,0]=3 6034 B9R1.75 CCNC(=O)NC1CC1 273464a_100000212008_100015525214 [0,1,0,1,0,0|1,0,0]=3 6035 B9R1.75 CCNC(=O)NC1CC1 273464a_100015525214_100000212008 [0,1,0,1,0,0|1,0,0]=3 6036 B9R1.75 CCNC(=O)NC1CC1 512a_100000212008_100015525214 [0,1,0,1,0,0|1,0,0]=3 6037 B9R1.75 CNCC(=O)NC1CC1 2230a_100000702991_200000210301 [0,1,0,1,0,0|2,0,0]=4 6038 B9R1.75 CNCC(=O)NC1CC1 2230a_106832991635_100000182950 [0,1,0,1,0,0|2,0,0]=4 6039 B9R1.75 CNCC(=O)NC1CC1 34a_100102657272_100000182950 [0,1,0,1,0,0|2,0,0]=4 6040 B9R1.75 CNCC(=O)NC1CC1 7a_106832991635_100000182950 [0,1,0,1,0,0|2,0,0]=4 6041 B9R1.75 CNNC(=O)CC1CC1 22a_100016993582_100000738066 [0,1,0,1,0,0|2,0,0]=4 6042 B9R1.75 CNNC(=O)NC1CC1 273464a_100000212008_100016993582 [0,1,0,1,0,0|2,0,0]=4 6043 B9R1.75 CNNC(=O)NC1CC1 512a_100000212008_100016993582 [0,1,0,1,0,0|2,0,0]=4 6044 B9R1.75 COCC(=O)CC1CC1 1458a_100000210968_100000742324 [0,1,0,1,0,0|2,0,0]=4 6045 B9R1.75 COCC(=O)CC1CO1 1458a_100000210968_100011216344 [0,1,0,1,0,0|2,0,0]=4 6046 B9R1.75 COCC(=O)CC1CS1 1458a_100000210968_100000031435 [0,1,0,1,0,0|2,0,0]=4 6047 B9R1.75 COCC(=O)C[C@@H]1CO1 1458a_100000210968_100000745022 [0,1,0,1,0,0|2,0,0]=4 6048 B9R1.75 COCC(=O)NC1CC1 1626a_100000212008_100000210968 [0,1,0,1,0,0|2,0,0]=4 6049 B9R1.75 COCC(=O)NC1CC1 240690a_100000212008_100000210968 [0,1,0,1,0,0|2,0,0]=4 6050 B9R1.75 COCC(=O)NC1CC1 34a_100138415774_100000182950 [0,1,0,1,0,0|2,0,0]=4 6051 B9R1.75 COCC(=O)NC1CC1 527a_100000212008_100000210968 [0,1,0,1,0,0|2,0,0]=4 6052 B9R1.75 CSCC(=O)CC1CC1 1458a_100000184570_100000742324 [0,1,0,1,0,0|2,0,0]=4 6053 B9R1.75 CSCC(=O)CC1CO1 1458a_100000184570_100011216344 [0,1,0,1,0,0|2,0,0]=4 6054 B9R1.75 CSCC(=O)CC1CS1 1458a_100000184570_100000031435 [0,1,0,1,0,0|2,0,0]=4 6055 B9R1.75 CSCC(=O)C[C@@H]1CO1 1458a_100000184570_100000745022 [0,1,0,1,0,0|2,0,0]=4 6056 B9R1.75 CSCC(=O)NC1CC1 1626a_100000212008_100000184570 [0,1,0,1,0,0|2,0,0]=4 6057 B9R1.75 CSCC(=O)NC1CC1 240690a_100000212008_100000184570 [0,1,0,1,0,0|2,0,0]=4 6058 B9R1.75 CSCC(=O)NC1CC1 527a_100000212008_100000184570 [0,1,0,1,0,0|2,0,0]=4 6059 B9R1.75 CSCC(=O)NC1CC1 62a_100000182950_200000210301 [0,1,0,1,0,0|2,0,0]=4 6060 B9R1.75 CSCC(=O)NC1CC1 62a_200000210301_100000182950 [0,1,0,1,0,0|2,0,0]=4 6061 B9R1.75 O=C(CCF)CC1CC1 1458a_100000738066_100011217306 [0,1,0,1,0,0|2,0,0]=4 6062 B9R1.75 O=C(CCO)CC1CC1 1458a_100000738066_100000211926 [0,1,0,1,0,0|2,0,0]=4 6063 B9R1.75 O=C(CCO)CC1CC1 1458a_100011216618_100000742324 [0,1,0,1,0,0|2,0,0]=4 6064 B9R1.75 O=C(CCO)CC1CO1 1458a_100011216618_100011216344 [0,1,0,1,0,0|2,0,0]=4 6065 B9R1.75 O=C(CCO)CC1CS1 1458a_100011216618_100000031435 [0,1,0,1,0,0|2,0,0]=4 6066 B9R1.75 O=C(CCO)C[C@@H]1CO1 1458a_100011216618_100000745022 [0,1,0,1,0,0|2,0,0]=4 6067 B9R1.75 O=C(CCO)NC1CC1 240690a_100000212008_100011216618 [0,1,0,1,0,0|2,0,0]=4 6068 B9R1.75 [13CH3]NCC(=O)NC1CC1 2230a_100000702991_200025704644 [0,1,0,1,0,0|2,0,0]=4 6069 B9R1.75 [13CH3]SCC(=O)NC1CC1 62a_100000182950_200025704644 [0,1,0,1,0,0|2,0,0]=4 6070 B9R1.75 [13CH3]SCC(=O)NC1CC1 62a_200025704644_100000182950 [0,1,0,1,0,0|2,0,0]=4 6071 B9R1.100 C#CCCC(=O)C1CC1 1458a_100000210395_100000753159 [0,1,0,1,0,0|1,0,1]=4 6072 B9R1.100 C#CCNC(=O)C1CC1 11a_100000212058_100000210395 [0,1,0,1,0,0|1,0,1]=4 6073 B9R1.100 C#CCNC(=O)C1CC1 1626a_100000212058_100000210395 [0,1,0,1,0,0|1,0,1]=4 6074 B9R1.100 C#CCNC(=O)C1CC1 240690a_100000212058_100000210395 [0,1,0,1,0,0|1,0,1]=4 6075 B9R1.100 C#CCNC(=O)C1CC1 527a_100000212058_100000210395 [0,1,0,1,0,0|1,0,1]=4 6076 B9R1.100 C/C=C/CC(=O)C1CC1 1458a_100000210395_100102629194 [0,1,0,1,0,0|1,0,1]=4 6077 B9R1.100 C=CCCC(=O)C1CC1 1458a_100000210395_100000754431 [0,1,0,1,0,0|1,0,1]=4 6078 B9R1.100 C=CCNC(=O)C1CC1 1626a_100020586998_100000210395 [0,1,0,1,0,0|1,0,1]=4 6079 B9R1.100 C=CCNC(=O)C1CC1 240690a_100020586998_100000210395 [0,1,0,1,0,0|1,0,1]=4 6080 B9R1.100 C=CCNC(=O)C1CC1 527a_100020586998_100000210395 [0,1,0,1,0,0|1,0,1]=4 6081 B9R1.100 CC#CCC(=O)C1CC1 1458a_100000210395_100000748600 [0,1,0,1,0,0|1,0,1]=4 6082 B9R1.100 CC(OCCF)C1CC1 34a_100000744524_100011217306 [0,1,0,1,0,0|1,0,1]=4 6083 B9R1.100 CC(OCCF)C1CC1 7a_100000744524_100011217306 [0,1,0,1,0,0|1,0,1]=4 6084 B9R1.100 CC(OCCO)C1CC1 34a_100000744524_100000211926 [0,1,0,1,0,0|1,0,1]=4 6085 B9R1.100 CC(OCCO)C1CC1 7a_100000744524_100000211926 [0,1,0,1,0,0|1,0,1]=4 6086 B9R1.100 CC=CCC(=O)C1CC1 1458a_100000210395_100000070051 [0,1,0,1,0,0|1,0,1]=4 6087 B9R1.100 CC=NNC(=O)C1CC1 4a_100000183419_200000210099 [0,1,0,1,0,0|1,0,1]=4 6088 B9R1.100 CCCCC(=O)C1CC1 1458a_100000210395_100000210211 [0,1,0,1,0,0|1,0,0]=3 6089 B9R1.100 CCCCC(=O)C1CO1 1458a_100000701028_100000210211 [0,1,0,1,0,0|2,0,0]=4 6090 B9R1.100 CCCNC(=O)C1CC1 11a_100020643023_100000210395 [0,1,0,1,0,0|1,0,0]=3 6091 B9R1.100 CCCNC(=O)C1CC1 1626a_100020643023_100000210395 [0,1,0,1,0,0|1,0,0]=3 6092 B9R1.100 CCCNC(=O)C1CC1 240690a_100020643023_100000210395 [0,1,0,1,0,0|1,0,0]=3 6093 B9R1.100 CCCNC(=O)C1CC1 527a_100020643023_100000210395 [0,1,0,1,0,0|1,0,0]=3 6094 B9R1.100 CCCNC(=O)C1CO1 11a_100020643023_100000701028 [0,1,0,1,0,0|2,0,0]=4 6095 B9R1.100 CCCNC(=O)C1CO1 1626a_100020643023_100000701028 [0,1,0,1,0,0|2,0,0]=4 6096 B9R1.100 CCCNC(=O)C1CO1 240690a_100020643023_100000701028 [0,1,0,1,0,0|2,0,0]=4 6097 B9R1.100 CCCNC(=O)C1CO1 527a_100020643023_100000701028 [0,1,0,1,0,0|2,0,0]=4 6098 B9R1.100 CCCOC(C)C1CC1 34a_100000744524_100000210303 [0,1,0,1,0,0|1,0,1]=4 6099 B9R1.100 CCCOC(C)C1CC1 7a_100000744524_100000210303 [0,1,0,1,0,0|1,0,1]=4 6100 B9R1.100 CCNCC(=O)C1CC1 2230a_100015525214_100000746382 [0,1,0,1,0,0|1,0,0]=3 6101 B9R1.100 CCNN=C(C)C1CC1 4a_100000756455_100000210639 [0,1,0,1,0,0|2,0,0]=4 6102 B9R1.100 CCNNC(=O)C1CC1 22a_100000756455_100000210395 [0,1,0,1,0,0|1,0,0]=3 6103 B9R1.100 CCNNC(=O)C1CO1 22a_100000756455_100000701028 [0,1,0,1,0,0|2,0,0]=4 6104 B9R1.100 CCOCC(=O)C1CC1 34a_100000686663_100000210202 [0,1,0,1,0,0|0,0,0]=2 6105 B9R1.100 CCOCC(=O)C1CC1 34a_100121572206_100000746382 [0,1,0,1,0,0|0,0,0]=2 6106 B9R1.100 CCOCN(C)C1CC1 269982a_100000226674_100000739092 [0,1,0,1,0,0|2,0,0]=4 6107 B9R1.100 CCOC[C@H](N)C1CC1 34a_100020623730_100000210202 [0,1,0,1,0,0|1,0,1]=4 6108 B9R1.100 CCSCC(=O)C1CC1 62a_100000210202_100000746382 [0,1,0,1,0,0|0,1,0]=3 6109 B9R1.100 CCSCC(=O)C1CC1 62a_100000746382_100000210202 [0,1,0,1,0,0|0,1,0]=3 6110 B9R1.100 CNCOC(=O)C1CC1 2230a_106832991635_100000140896 [0,1,0,1,0,0|0,0,0]=2 6111 B9R1.100 CNCOC(=O)C1CC1 34a_100102657272_100000140896 [0,1,0,1,0,0|0,0,0]=2 6112 B9R1.100 COCCC(=O)C1CC1 1458a_100000210395_100000233755 [0,1,0,1,0,0|1,0,0]=3 6113 B9R1.100 COCCC(=O)C1CO1 1458a_100000701028_100000233755 [0,1,0,1,0,0|2,0,0]=4 6114 B9R1.100 COCOC(=O)C1CC1 34a_100138415774_100000140896 [0,1,0,1,0,0|0,0,0]=2 6115 B9R1.100 CSCCC(=O)C1CC1 1458a_100000210395_100000751147 [0,1,0,1,0,0|1,0,0]=3 6116 B9R1.100 CSCCC(=O)C1CO1 1458a_100000701028_100000751147 [0,1,0,1,0,0|2,0,0]=4 6117 B9R1.100 CSCOC(=O)C1CC1 62a_100000140896_200000210301 [0,1,0,1,0,0|0,0,0]=2 6118 B9R1.100 CSCOC(=O)C1CC1 62a_200000210301_100000140896 [0,1,0,1,0,0|0,0,0]=2 6119 B9R1.100 CSCOC(C)C1CC1 34a_100000744524_100011218213 [0,1,0,1,0,0|1,0,1]=4 6120 B9R1.100 N#CCCC(=O)C1CC1 1458a_100000210395_100011215226 [0,1,0,1,0,0|1,0,1]=4 6121 B9R1.100 N#CCNC(=O)C1CC1 1626a_100000734998_100000210395 [0,1,0,1,0,0|1,0,1]=4 6122 B9R1.100 N#CCNC(=O)C1CC1 527a_100000734998_100000210395 [0,1,0,1,0,0|1,0,1]=4 6123 B9R1.100 O=C(CCCF)C1CC1 1458a_100000210395_100011934791 [0,1,0,1,0,0|1,0,0]=3 6124 B9R1.100 O=C(CCCF)C1CO1 1458a_100000701028_100011934791 [0,1,0,1,0,0|2,0,0]=4 6125 B9R1.100 O=C(CCCO)C1CC1 1458a_100000210395_100011215043 [0,1,0,1,0,0|1,0,0]=3 6126 B9R1.100 O=C(CCCO)C1CO1 1458a_100000701028_100011215043 [0,1,0,1,0,0|2,0,0]=4 6127 B9R1.100 O=C(COCF)C1CC1 34a_100000686663_100015361967 [0,1,0,1,0,0|1,0,0]=3 6128 B9R1.100 O=C(CSCF)C1CC1 62a_100000746382_100015361967 [0,1,0,1,0,0|1,1,0]=4 6129 B9R1.100 O=C(CSCF)C1CC1 62a_100015361967_100000746382 [0,1,0,1,0,0|1,1,0]=4 6130 B9R1.100 O=C(NCCF)C1CC1 11a_100000724931_100000210395 [0,1,0,1,0,0|1,0,0]=3 6131 B9R1.100 O=C(NCCF)C1CC1 1626a_100000724931_100000210395 [0,1,0,1,0,0|1,0,0]=3 6132 B9R1.100 O=C(NCCF)C1CC1 240690a_100000724931_100000210395 [0,1,0,1,0,0|1,0,0]=3 6133 B9R1.100 O=C(NCCF)C1CC1 527a_100000724931_100000210395 [0,1,0,1,0,0|1,0,0]=3 6134 B9R1.100 O=C(NCCF)C1CO1 11a_100000724931_100000701028 [0,1,0,1,0,0|2,0,0]=4 6135 B9R1.100 O=C(NCCF)C1CO1 1626a_100000724931_100000701028 [0,1,0,1,0,0|2,0,0]=4 6136 B9R1.100 O=C(NCCF)C1CO1 240690a_100000724931_100000701028 [0,1,0,1,0,0|2,0,0]=4 6137 B9R1.100 O=C(NCCF)C1CO1 527a_100000724931_100000701028 [0,1,0,1,0,0|2,0,0]=4 6138 B9R1.100 O=C(NCCO)C1CC1 240690a_100000210304_100000210395 [0,1,0,1,0,0|1,0,0]=3 6139 B9R1.100 O=C(NCCO)C1CC1 527a_100000210304_100000210395 [0,1,0,1,0,0|1,0,0]=3 6140 B9R1.100 O=C(NCCO)C1CO1 240690a_100000210304_100000701028 [0,1,0,1,0,0|2,0,0]=4 6141 B9R1.100 O=C(NCCO)C1CO1 527a_100000210304_100000701028 [0,1,0,1,0,0|2,0,0]=4 6142 B9R1.100 [13CH3]SCOC(=O)C1CC1 62a_100000140896_200025704644 [0,1,0,1,0,0|0,0,0]=2 6143 B9R1.100 [13CH3]SCOC(=O)C1CC1 62a_200025704644_100000140896 [0,1,0,1,0,0|0,0,0]=2 6144 B9R1.117 CC1(CCC1)OCCF 34a_100000759064_100011217306 [0,1,0,1,0,0|1,0,1]=4 6145 B9R1.117 CC1(CCC1)OCCF 7a_100000759064_100011217306 [0,1,0,1,0,0|1,0,1]=4 6146 B9R1.117 CC1(CCC1)OCCO 34a_100000759064_100000211926 [0,1,0,1,0,0|1,0,1]=4 6147 B9R1.117 CC1(CCC1)OCCO 7a_100000759064_100000211926 [0,1,0,1,0,0|1,0,1]=4 6148 B9R1.117 CCCOC1(CCC1)C 34a_100000759064_100000210303 [0,1,0,1,0,0|1,0,1]=4 6149 B9R1.117 CCCOC1(CCC1)C 7a_100000759064_100000210303 [0,1,0,1,0,0|1,0,1]=4 6150 B9R1.117 CCOCC1(CCC1)C 34a_100121572206_100000726658 [0,1,0,1,0,0|1,0,1]=4 6151 B9R1.117 CSCOC1(CCC1)C 34a_100000759064_100011218213 [0,1,0,1,0,0|1,0,1]=4 6152 B9R1.134 CCOC1(CCCC1)C 34a_100000751722_100000210202 [0,1,0,1,0,0|1,0,1]=4 6153 B9R1.134 CCOC1(CCCC1)C 7a_100000751722_100000210202 [0,1,0,1,0,0|1,0,1]=4 6154 B9R1.183 CC1CC1C(=O)CCF 1458a_100000211227_100011217306 [0,1,0,1,0,0|2,0,0]=4 6155 B9R1.183 CC1CC1C(=O)CCO 1458a_100000211227_100000211926 [0,1,0,1,0,0|2,0,0]=4 6156 B9R1.183 CCCC(=O)C1CC1C 1458a_100000211227_100000210303 [0,1,0,1,0,0|1,0,0]=3 6157 B9R1.183 CCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210303 [0,1,0,1,0,0|1,0,0]=3 6158 B9R1.183 CCNC(=O)C1CC1C 11a_100015525214_100000211227 [0,1,0,1,0,0|1,0,0]=3 6159 B9R1.183 CCNC(=O)C1CC1C 527a_100015525214_100000211227 [0,1,0,1,0,0|1,0,0]=3 6160 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 11a_100015525214_100015396687 [0,1,0,1,0,0|1,0,0]=3 6161 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 240690a_100015525214_100015396687 [0,1,0,1,0,0|1,0,0]=3 6162 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 527a_100015525214_100015396687 [0,1,0,1,0,0|1,0,0]=3 6163 B9R1.183 CNNC(=O)C1CC1C 22a_100016993582_100000211227 [0,1,0,1,0,0|2,0,0]=4 6164 B9R1.183 CNNC(=O)[C@@H]1C[C@@H]1F 22a_100016993582_100015396687 [0,1,0,1,0,0|2,0,0]=4 6165 B9R1.183 O=C(CCF)[C@@H]1C[C@@H]1F 1458a_100015396687_100011217306 [0,1,0,1,0,0|2,0,0]=4 6166 B9R1.183 O=C(CCO)[C@@H]1C[C@@H]1F 1458a_100015396687_100000211926 [0,1,0,1,0,0|2,0,0]=4 6167 B9R1.3 CC1C(=O)NCCN1C 2230a_100000750721_200000210301 [0,1,0,1,0,0|2,0,0]=4 6168 B9R1.3 CC1C(=O)NCCN1C 269982a_100000750721_200000210301 [0,1,0,1,0,0|2,0,0]=4 6169 B9R1.3 CC1C(=O)NCCN1C 34a_100000750721_200000210301 [0,1,0,1,0,0|2,0,0]=4 6170 B9R1.3 CC1C(=O)NCCN1[13CH3] 2230a_100000750721_200025704644 [0,1,0,1,0,0|2,0,0]=4 6171 B9R1.3 CC1C(=O)NCCN1[13CH3] 269982a_100000750721_200025704644 [0,1,0,1,0,0|2,0,0]=4 6172 B9R1.3 CC1C(=O)NCCN1[13CH3] 34a_100000750721_200025704644 [0,1,0,1,0,0|2,0,0]=4 6173 B9R1.11 CCC(=O)C1=CCCC1 1458a_100000038896_100000210202 [0,1,0,1,0,0|2,0,0]=4 6174 B9R1.74 CC1(CC1)C(=O)CCF 1458a_100000756474_100011217306 [0,1,0,1,0,0|2,0,0]=4 6175 B9R1.74 CC1(CC1)C(=O)CCO 1458a_100000756474_100000211926 [0,1,0,1,0,0|2,0,0]=4 6176 B9R1.74 CCCC(=O)C1(CC1)C 1458a_100000756474_100000210303 [0,1,0,1,0,0|1,0,0]=3 6177 B9R1.74 CCCC(=O)C1(CC1)F 1458a_100000055089_100000210303 [0,1,0,1,0,0|1,0,0]=3 6178 B9R1.74 CCCC(=O)C1(CC1)O 1458a_100000241761_100000210303 [0,1,0,1,0,0|1,0,0]=3 6179 B9R1.74 CCNC(=O)C1(CC1)C 11a_100015525214_100000756474 [0,1,0,1,0,0|1,0,0]=3 6180 B9R1.74 CCNC(=O)C1(CC1)C 240690a_100015525214_100000756474 [0,1,0,1,0,0|1,0,0]=3 6181 B9R1.74 CCNC(=O)C1(CC1)C 527a_100015525214_100000756474 [0,1,0,1,0,0|1,0,0]=3 6182 B9R1.74 CCNC(=O)C1(CC1)F 11a_100015525214_100000055089 [0,1,0,1,0,0|1,0,0]=3 6183 B9R1.74 CCNC(=O)C1(CC1)F 240690a_100015525214_100000055089 [0,1,0,1,0,0|1,0,0]=3 6184 B9R1.74 CCNC(=O)C1(CC1)F 527a_100015525214_100000055089 [0,1,0,1,0,0|1,0,0]=3 6185 B9R1.74 CCNC(=O)C1(CC1)O 240690a_100015525214_100000241761 [0,1,0,1,0,0|1,0,0]=3 6186 B9R1.74 CNNC(=O)C1(CC1)C 22a_100016993582_100000756474 [0,1,0,1,0,0|2,0,0]=4 6187 B9R1.74 CNNC(=O)C1(CC1)F 22a_100016993582_100000055089 [0,1,0,1,0,0|2,0,0]=4 6188 B9R1.74 CNNC(=O)C1(CC1)O 22a_100016993582_100000241761 [0,1,0,1,0,0|2,0,0]=4 6189 B9R1.74 O=C(CCF)C1(CC1)F 1458a_100000055089_100011217306 [0,1,0,1,0,0|2,0,0]=4 6190 B9R1.74 O=C(CCF)C1(CC1)O 1458a_100000241761_100011217306 [0,1,0,1,0,0|2,0,0]=4 6191 B9R1.74 O=C(CCO)C1(CC1)F 1458a_100000055089_100000211926 [0,1,0,1,0,0|2,0,0]=4 6192 B9R1.74 O=C(CCO)C1(CC1)O 1458a_100000241761_100000211926 [0,1,0,1,0,0|2,0,0]=4 6193 B9R1.101 CCC(C)C(=O)C1CC1 1458a_100000210395_100000758301 [0,1,0,1,0,0|1,0,0]=3 6194 B9R1.101 CCC(C)C(=O)C1CO1 1458a_100000701028_100000758301 [0,1,0,1,0,0|2,0,0]=4 6195 B9R1.101 CCN(C)C(=O)C1CC1 11a_100000225621_100000210395 [0,1,0,1,0,0|1,0,0]=3 6196 B9R1.101 CCN(C)C(=O)C1CC1 1626a_100000225621_100000210395 [0,1,0,1,0,0|1,0,0]=3 6197 B9R1.101 CCN(C)C(=O)C1CC1 240690a_100000225621_100000210395 [0,1,0,1,0,0|1,0,0]=3 6198 B9R1.101 CCN(C)C(=O)C1CC1 527a_100000225621_100000210395 [0,1,0,1,0,0|1,0,0]=3 6199 B9R1.101 CCN(C)C(=O)C1CO1 11a_100000225621_100000701028 [0,1,0,1,0,0|2,0,0]=4 6200 B9R1.101 CCN(C)C(=O)C1CO1 1626a_100000225621_100000701028 [0,1,0,1,0,0|2,0,0]=4 6201 B9R1.101 CCN(C)C(=O)C1CO1 240690a_100000225621_100000701028 [0,1,0,1,0,0|2,0,0]=4 6202 B9R1.101 CCN(C)C(=O)C1CO1 527a_100000225621_100000701028 [0,1,0,1,0,0|2,0,0]=4 6203 B9R1.132 CN1CCC(C1=O)S[13CH3] 62a_100000755940_200025704644 [0,1,0,1,0,0|2,0,0]=4 6204 B9R1.132 CN1CCC(C1=O)S[13CH3] 62a_200025704644_100000755940 [0,1,0,1,0,0|2,0,0]=4 6205 B9R1.132 CNC1CCN(C1=O)C 2230a_106832991635_100000755940 [0,1,0,1,0,0|2,0,0]=4 6206 B9R1.132 CNC1CCN(C1=O)C 34a_100102657272_100000755940 [0,1,0,1,0,0|2,0,0]=4 6207 B9R1.132 CNC1CCN(C1=O)C 7a_106832991635_100000755940 [0,1,0,1,0,0|2,0,0]=4 6208 B9R1.132 COC1CCN(C1=O)C 34a_100138415774_100000755940 [0,1,0,1,0,0|2,0,0]=4 6209 B9R1.132 CSC1CCN(C1=O)C 62a_100000755940_200000210301 [0,1,0,1,0,0|2,0,0]=4 6210 B9R1.132 CSC1CCN(C1=O)C 62a_200000210301_100000755940 [0,1,0,1,0,0|2,0,0]=4 6211 B9R1.13 CC(C)OC1CCCC1 34a_100000210269_100000210206 [0,1,0,1,0,0|1,0,1]=4 6212 B9R1.13 CC(C)OC1CCCC1 34a_100000212225_100000179811 [0,1,0,1,0,0|1,0,1]=4 6213 B9R1.13 CC(C)OC1CCCC1 7a_100000210269_100000210206 [0,1,0,1,0,0|1,0,1]=4 6214 B9R1.13 CC(C)OC1CCCO1 34a_100000085407_100000210206 [0,1,0,1,0,0|0,0,2]=4 6215 B9R1.41 CC(=O)C1CCCC1=O 1458a_100000070787_100000211823 [0,1,0,1,0,0|1,0,1]=4 6216 B9R1.41 CC(=O)C1CCOC1=O 1458a_100000070787_100000211211 [0,1,0,1,0,0|0,0,1]=3 6217 B9R1.41 CN(C)C1CCCC1=O 2230a_100102631434_100000211823 [0,1,0,1,0,0|2,0,0]=4 6218 B9R1.41 CN(C)C1CCCC1=O 269982a_100102631434_100000211823 [0,1,0,1,0,0|2,0,0]=4 6219 B9R1.41 CN(C)C1CCOC1=O 2230a_100102631434_100000211211 [0,1,0,1,0,0|1,0,0]=3 6220 B9R1.41 CN(C)C1CCOC1=O 269982a_100102631434_100000211211 [0,1,0,1,0,0|1,0,0]=3 6221 B9R1.137 C=C(C)CC(=O)C1CC1 1458a_100000210395_100000748629 [0,1,0,1,0,0|1,0,1]=4 6222 B9R1.137 CC(=O)CC(=O)C1CC1 1458a_100000070787_100000746382 [0,1,0,1,0,0|1,0,1]=4 6223 B9R1.137 CC(C)CC(=O)C1CC1 1458a_100000210395_100000210624 [0,1,0,1,0,0|1,0,0]=3 6224 B9R1.137 CC(C)CC(=O)C1CO1 1458a_100000701028_100000210624 [0,1,0,1,0,0|2,0,0]=4 6225 B9R1.137 CC(C)NC(=O)C1CC1 11a_100138425928_100000210395 [0,1,0,1,0,0|1,0,0]=3 6226 B9R1.137 CC(C)NC(=O)C1CC1 1626a_100138425928_100000210395 [0,1,0,1,0,0|1,0,0]=3 6227 B9R1.137 CC(C)NC(=O)C1CC1 240690a_100138425928_100000210395 [0,1,0,1,0,0|1,0,0]=3 6228 B9R1.137 CC(C)NC(=O)C1CC1 527a_100138425928_100000210395 [0,1,0,1,0,0|1,0,0]=3 6229 B9R1.137 CC(C)NC(=O)C1CO1 11a_100138425928_100000701028 [0,1,0,1,0,0|2,0,0]=4 6230 B9R1.137 CC(C)NC(=O)C1CO1 1626a_100138425928_100000701028 [0,1,0,1,0,0|2,0,0]=4 6231 B9R1.137 CC(C)NC(=O)C1CO1 240690a_100138425928_100000701028 [0,1,0,1,0,0|2,0,0]=4 6232 B9R1.137 CC(C)NC(=O)C1CO1 527a_100138425928_100000701028 [0,1,0,1,0,0|2,0,0]=4 6233 B9R1.137 CC(C)OC(C)C1CC1 34a_100000744524_100000210206 [0,1,0,1,0,0|1,0,1]=4 6234 B9R1.137 CC(C)OC(C)C1CC1 7a_100000744524_100000210206 [0,1,0,1,0,0|1,0,1]=4 6235 B9R1.137 CC(O)CC(=O)C1CC1 1458a_100000210395_100011218427 [0,1,0,1,0,0|1,0,0]=3 6236 B9R1.137 CC(O)CC(=O)C1CO1 1458a_100000701028_100011218427 [0,1,0,1,0,0|2,0,0]=4 6237 B9R1.137 CN(C)CC(=O)C1CC1 2230a_100102631434_100000746382 [0,1,0,1,0,0|2,0,0]=4 6238 B9R1.137 CN(C)CC(=O)C1CC1 269982a_100102631434_100000746382 [0,1,0,1,0,0|2,0,0]=4 6239 B9R1.137 O=C(CC(F)F)C1CC1 1458a_100000210395_100011934356 [0,1,0,1,0,0|2,0,0]=4 6240 B9R1.171 CC(C)OC1(CCC1)C 34a_100000759064_100000210206 [0,1,0,1,0,0|1,0,1]=4 6241 B9R1.171 CC(C)OC1(CCC1)C 7a_100000759064_100000210206 [0,1,0,1,0,0|1,0,1]=4 6242 B9R1.43 CCOC(CC)C1CC1 34a_100011351122_100000210202 [0,1,0,1,0,0|1,0,1]=4 6243 B9R1.43 CCOC(CC)C1CC1 7a_100011351122_100000210202 [0,1,0,1,0,0|1,0,1]=4 6244 B9R1.43 CCOC(CN)C1CC1 34a_100000751198_100000210202 [0,1,0,1,0,0|1,0,1]=4 6245 B9R1.109 CCNS(=O)(=O)C1CC1 270084a_100015525214_100000750908 [0,1,0,1,0,0|2,0,0]=4 6246 B9R1.109 CCNS(=O)(=O)C1CC1 274078a_100015525214_100000750908 [0,1,0,1,0,0|2,0,0]=4