0 B7R0.7 C#CCC(=O)C#CC 1458a_100000763181_100000184674 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.7 C#CCC(=O)C=CC 1458a_100000210699_100000184674 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.7 C#CCC(=O)CCC 1458a_100000211992_100000184674 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.7 C#CCC(=O)CCC 1458a_100011220946_100000210303 [0,0,0,0,0,0|2,0,1]=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|1,1,2]=4 6 B7R0.7 C#CCC(=O)CCO 1458a_100011220946_100000211926 [0,0,0,0,0,0|1,1,2]=4 7 B7R0.7 C#CCC(=O)COC 1458a_100000210968_100000184674 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.7 C#CCC(=O)CSC 1458a_100000184570_100000184674 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.7 C#CCC(=O)NCC 527a_100015525214_100011220946 [0,0,0,0,0,0|2,0,1]=3 10 B7R0.7 C#CCC(C)OCC 34a_100000685586_100000210202 [0,0,0,0,0,0|2,0,2]=4 11 B7R0.7 C#CCC(C)OCC 7a_100000685586_100000210202 [0,0,0,0,0,0|2,0,2]=4 12 B7R0.7 C=CCC(=O)C#CC 1458a_100000763181_100000210623 [0,0,0,0,0,0|2,0,2]=4 13 B7R0.7 C=CCC(=O)C=CC 1458a_100000210699_100000210623 [0,0,0,0,0,0|2,0,2]=4 14 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [0,0,0,0,0,0|2,0,1]=3 15 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [0,0,0,0,0,0|2,0,1]=3 16 B7R0.7 C=CCC(=O)CCF 1458a_100000210193_100011217306 [0,0,0,0,0,0|2,0,2]=4 17 B7R0.7 C=CCC(=O)CCO 1458a_100000210193_100000211926 [0,0,0,0,0,0|1,1,2]=4 18 B7R0.7 C=CCC(=O)CCO 1458a_100011216618_100000210623 [0,0,0,0,0,0|1,1,2]=4 19 B7R0.7 C=CCC(=O)COC 1458a_100000210968_100000210623 [0,0,0,0,0,0|3,0,1]=4 20 B7R0.7 C=CCC(=O)CSC 1458a_100000184570_100000210623 [0,0,0,0,0,0|3,0,1]=4 21 B7R0.7 C=CCC(=O)NCC 11a_100015525214_100000210193 [0,0,0,0,0,0|2,0,1]=3 22 B7R0.7 C=CCC(=O)NCC 240690a_100015525214_100000210193 [0,0,0,0,0,0|2,0,1]=3 23 B7R0.7 C=CCC(=O)NCC 527a_100015525214_100000210193 [0,0,0,0,0,0|2,0,1]=3 24 B7R0.7 C=CCC(=O)NNC 22a_100016993582_100000210193 [0,0,0,0,0,0|3,0,1]=4 25 B7R0.7 C=CC[C@@H](C)OCC 34a_100000731007_100000210202 [0,0,0,0,0,0|2,0,2]=4 26 B7R0.7 C=CC[C@@H](C)OCC 7a_100000731007_100000210202 [0,0,0,0,0,0|2,0,2]=4 27 B7R0.7 C=COC(=O)CNC 2230a_106832991635_100000036128 [0,0,0,0,0,0|2,0,2]=4 28 B7R0.7 C=COC(=O)CNC 34a_100102657272_100000036128 [0,0,0,0,0,0|2,0,2]=4 29 B7R0.7 C=COC(=O)COC 34a_100138415774_100000036128 [0,0,0,0,0,0|2,0,2]=4 30 B7R0.7 C=COC(=O)CSC 62a_100000036128_200000210301 [0,0,0,0,0,0|2,0,2]=4 31 B7R0.7 C=COC(=O)CSC 62a_200000210301_100000036128 [0,0,0,0,0,0|2,0,2]=4 32 B7R0.7 C=COC(=O)CS[13CH3] 62a_100000036128_200025704644 [0,0,0,0,0,0|2,0,2]=4 33 B7R0.7 C=COC(=O)CS[13CH3] 62a_200025704644_100000036128 [0,0,0,0,0,0|2,0,2]=4 34 B7R0.7 CC#CC(=O)CC#N 1458a_100000763181_100011214920 [0,0,0,0,0,0|2,0,2]=4 35 B7R0.7 CC#CC(=O)CCC 1458a_100000763181_100000210303 [0,0,0,0,0,0|2,0,1]=3 36 B7R0.7 CC#CC(=O)CCF 1458a_100000763181_100011217306 [0,0,0,0,0,0|2,0,1]=3 37 B7R0.7 CC#CC(=O)CCO 1458a_100000763181_100000211926 [0,0,0,0,0,0|1,1,1]=3 38 B7R0.7 CC(CCBr)OCF 34a_100012276601_100015361967 [0,0,0,0,0,0|3,0,1]=4 39 B7R0.7 CC=CC(=O)CC#N 1458a_100000210699_100011214920 [0,0,0,0,0,0|2,0,2]=4 40 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [0,0,0,0,0,0|2,0,1]=3 41 B7R0.7 CC=CC(=O)CCF 1458a_100000210699_100011217306 [0,0,0,0,0,0|2,0,1]=3 42 B7R0.7 CC=CC(=O)CCO 1458a_100000210699_100000211926 [0,0,0,0,0,0|1,1,1]=3 43 B7R0.7 CC=CC(=O)NCC 11a_100015525214_100000210699 [0,0,0,0,0,0|2,0,2]=4 44 B7R0.7 CC=CC(=O)NCC 240690a_100015525214_100000210699 [0,0,0,0,0,0|2,0,2]=4 45 B7R0.7 CCCC(=O)C=CBr 1458a_100016273825_100000210303 [0,0,0,0,0,0|2,0,2]=4 46 B7R0.7 CCCC(=O)C=CCl 1458a_200016279998_100000210303 [0,0,0,0,0,0|2,0,2]=4 47 B7R0.7 CCCC(=O)C=CI 1458a_100016256311_100000210303 [0,0,0,0,0,0|2,0,2]=4 48 B7R0.7 CCCC(=O)CC#N 1458a_100000211992_100011214920 [0,0,0,0,0,0|2,0,1]=3 49 B7R0.7 CCCC(=O)CC#N 1458a_100051588842_100000210303 [0,0,0,0,0,0|2,0,1]=3 50 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [0,0,0,0,0,0|2,0,0]=2 51 B7R0.7 CCCC(=O)CCF 1458a_100000211992_100011217306 [0,0,0,0,0,0|2,0,0]=2 52 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [0,0,0,0,0,0|1,1,0]=2 53 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [0,0,0,0,0,0|1,1,0]=2 54 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [0,0,0,0,0,0|3,0,0]=3 55 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [0,0,0,0,0,0|3,0,0]=3 56 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [0,0,0,0,0,0|3,0,0]=3 57 B7R0.7 CCCC(=O)CSC 1458a_100000184570_100000210303 [0,0,0,0,0,0|3,0,0]=3 58 B7R0.7 CCCC(=O)CSC 62a_100000747444_200000210301 [0,0,0,0,0,0|3,0,0]=3 59 B7R0.7 CCCC(=O)CSC 62a_200000210301_100000747444 [0,0,0,0,0,0|3,0,0]=3 60 B7R0.7 CCCC(=O)CS[13CH3] 62a_100000747444_200025704644 [0,0,0,0,0,0|3,0,0]=3 61 B7R0.7 CCCC(=O)CS[13CH3] 62a_200025704644_100000747444 [0,0,0,0,0,0|3,0,0]=3 62 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [0,0,0,0,0,0|2,0,0]=2 63 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [0,0,0,0,0,0|2,0,0]=2 64 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [0,0,0,0,0,0|2,0,0]=2 65 B7R0.7 CCCC(=O)NNC 22a_100016993582_100000211992 [0,0,0,0,0,0|3,0,0]=3 66 B7R0.7 CCCC(C)NCC 2230a_100000741246_100000210202 [0,0,0,0,0,0|3,0,1]=4 67 B7R0.7 CCCC(C)NCC 2230a_100015525214_100000766640 [0,0,0,0,0,0|3,0,1]=4 68 B7R0.7 CCCC(C)NCC 270004a_100015525214_100000211909 [0,0,0,0,0,0|3,0,1]=4 69 B7R0.7 CCCC(C)OCC 34a_100000764384_100000210202 [0,0,0,0,0,0|2,0,1]=3 70 B7R0.7 CCCC(C)OCC 34a_100121572206_100000766640 [0,0,0,0,0,0|2,0,1]=3 71 B7R0.7 CCCC(C)OCC 7a_100000764384_100000210202 [0,0,0,0,0,0|2,0,1]=3 72 B7R0.7 CCCC(C)OCF 34a_100000764384_100015361967 [0,0,0,0,0,0|3,0,1]=4 73 B7R0.7 CCCC(C)OCF 7a_100000764384_100015361967 [0,0,0,0,0,0|3,0,1]=4 74 B7R0.7 CCCC(C)SCC 62a_100000210202_100000766640 [0,0,0,0,0,0|2,1,1]=4 75 B7R0.7 CCCC(C)SCC 62a_100000766640_100000210202 [0,0,0,0,0,0|2,1,1]=4 76 B7R0.7 CCCN(C)CCC 2230a_100000210455_200000210301 [0,0,0,0,0,0|4,0,0]=4 77 B7R0.7 CCCN(C)CCC 2230a_100000747261_100000210303 [0,0,0,0,0,0|4,0,0]=4 78 B7R0.7 CCCN(C)CCC 269982a_100000210455_200000210301 [0,0,0,0,0,0|4,0,0]=4 79 B7R0.7 CCCN(C)CCC 269982a_100000747261_100000210303 [0,0,0,0,0,0|4,0,0]=4 80 B7R0.7 CCCN(C)CCF 2230a_100000747261_100011217306 [0,0,0,0,0,0|4,0,0]=4 81 B7R0.7 CCCN(C)CCF 269982a_100000747261_100011217306 [0,0,0,0,0,0|4,0,0]=4 82 B7R0.7 CCCN(C)CCO 2230a_100000210263_100000210303 [0,0,0,0,0,0|3,1,0]=4 83 B7R0.7 CCCN(C)CCO 2230a_100000211420_200000210301 [0,0,0,0,0,0|3,1,0]=4 84 B7R0.7 CCCN(C)CCO 2230a_100000747261_100000211926 [0,0,0,0,0,0|3,1,0]=4 85 B7R0.7 CCCN(C)CCO 269982a_100000210263_100000210303 [0,0,0,0,0,0|3,1,0]=4 86 B7R0.7 CCCN(C)CCO 269982a_100000211420_200000210301 [0,0,0,0,0,0|3,1,0]=4 87 B7R0.7 CCCN(C)CCO 269982a_100000747261_100000211926 [0,0,0,0,0,0|3,1,0]=4 88 B7R0.7 CCCN([13CH3])CCC 2230a_100000210455_200025704644 [0,0,0,0,0,0|4,0,0]=4 89 B7R0.7 CCCN([13CH3])CCC 269982a_100000210455_200025704644 [0,0,0,0,0,0|4,0,0]=4 90 B7R0.7 CCCN([13CH3])CCO 2230a_100000211420_200025704644 [0,0,0,0,0,0|3,1,0]=4 91 B7R0.7 CCCN([13CH3])CCO 269982a_100000211420_200025704644 [0,0,0,0,0,0|3,1,0]=4 92 B7R0.7 CCNC(=O)C=CBr 240690a_100015525214_100016273825 [0,0,0,0,0,0|2,0,2]=4 93 B7R0.7 CCNC(=O)C=CCl 11a_100015525214_200016279998 [0,0,0,0,0,0|2,0,2]=4 94 B7R0.7 CCNC(=O)C=CCl 240690a_100015525214_200016279998 [0,0,0,0,0,0|2,0,2]=4 95 B7R0.7 CCNC(=O)CC#N 240690a_100015525214_100051588842 [0,0,0,0,0,0|2,0,1]=3 96 B7R0.7 CCNC(=O)CCO 240690a_100015525214_100011216618 [0,0,0,0,0,0|1,1,0]=2 97 B7R0.7 CCNC(=O)CNC 2230a_100016988866_200000210301 [0,0,0,0,0,0|3,0,0]=3 98 B7R0.7 CCNC(=O)CNC 2230a_106832991635_100000183381 [0,0,0,0,0,0|3,0,0]=3 99 B7R0.7 CCNC(=O)CNC 34a_100102657272_100000183381 [0,0,0,0,0,0|3,0,0]=3 100 B7R0.7 CCNC(=O)CNC 7a_106832991635_100000183381 [0,0,0,0,0,0|3,0,0]=3 101 B7R0.7 CCNC(=O)CN[13CH3] 2230a_100016988866_200025704644 [0,0,0,0,0,0|3,0,0]=3 102 B7R0.7 CCNC(=O)COC 11a_100015525214_100000210968 [0,0,0,0,0,0|3,0,0]=3 103 B7R0.7 CCNC(=O)COC 240690a_100015525214_100000210968 [0,0,0,0,0,0|3,0,0]=3 104 B7R0.7 CCNC(=O)COC 34a_100138415774_100000183381 [0,0,0,0,0,0|3,0,0]=3 105 B7R0.7 CCNC(=O)COC 527a_100015525214_100000210968 [0,0,0,0,0,0|3,0,0]=3 106 B7R0.7 CCNC(=O)CSC 11a_100015525214_100000184570 [0,0,0,0,0,0|3,0,0]=3 107 B7R0.7 CCNC(=O)CSC 240690a_100015525214_100000184570 [0,0,0,0,0,0|3,0,0]=3 108 B7R0.7 CCNC(=O)CSC 527a_100015525214_100000184570 [0,0,0,0,0,0|3,0,0]=3 109 B7R0.7 CCNC(=O)CSC 62a_100000183381_200000210301 [0,0,0,0,0,0|3,0,0]=3 110 B7R0.7 CCNC(=O)CSC 62a_200000210301_100000183381 [0,0,0,0,0,0|3,0,0]=3 111 B7R0.7 CCNC(=O)CS[13CH3] 62a_100000183381_200025704644 [0,0,0,0,0,0|3,0,0]=3 112 B7R0.7 CCNC(=O)CS[13CH3] 62a_200025704644_100000183381 [0,0,0,0,0,0|3,0,0]=3 113 B7R0.7 CCNC(=O)NCC 2708a_100015525214_100015525214 [0,0,0,0,0,0|3,0,0]=3 114 B7R0.7 CCNC(=O)NCC 273464a_100015525214_100015525214 [0,0,0,0,0,0|3,0,0]=3 115 B7R0.7 CCNC(=O)NCC 512a_100015525214_100015525214 [0,0,0,0,0,0|3,0,0]=3 116 B7R0.7 CCNC(=O)NNC 273464a_100015525214_100016993582 [0,0,0,0,0,0|4,0,0]=4 117 B7R0.7 CCNC(=O)NNC 512a_100015525214_100016993582 [0,0,0,0,0,0|4,0,0]=4 118 B7R0.7 CCNC(=O)NNC 512a_100016993582_100015525214 [0,0,0,0,0,0|4,0,0]=4 119 B7R0.7 CCNC(C)CCO 2230a_100015525214_100009893172 [0,0,0,0,0,0|2,1,1]=4 120 B7R0.7 CCN[C@H](C)CCO 2230a_100000706166_100000210202 [0,0,0,0,0,0|2,1,1]=4 121 B7R0.7 CCN[C@H](C)CCO 34a_100000706166_100000210202 [0,0,0,0,0,0|2,1,1]=4 122 B7R0.7 CCOC(=O)CNC 2230a_106832991635_100000188475 [0,0,0,0,0,0|2,0,0]=2 123 B7R0.7 CCOC(=O)CNC 34a_100102657272_100000188475 [0,0,0,0,0,0|2,0,0]=2 124 B7R0.7 CCOC(=O)CNC 7a_106832991635_100000188475 [0,0,0,0,0,0|2,0,0]=2 125 B7R0.7 CCOC(=O)COC 34a_100138415774_100000188475 [0,0,0,0,0,0|2,0,0]=2 126 B7R0.7 CCOC(=O)CSC 62a_100000188475_200000210301 [0,0,0,0,0,0|2,0,0]=2 127 B7R0.7 CCOC(=O)CSC 62a_200000210301_100000188475 [0,0,0,0,0,0|2,0,0]=2 128 B7R0.7 CCOC(=O)CS[13CH3] 62a_100000188475_200025704644 [0,0,0,0,0,0|2,0,0]=2 129 B7R0.7 CCOC(=O)CS[13CH3] 62a_200025704644_100000188475 [0,0,0,0,0,0|2,0,0]=2 130 B7R0.7 CCOC(C)CCBr 34a_100012276601_100000210202 [0,0,0,0,0,0|2,0,1]=3 131 B7R0.7 CCOC(C)CCO 34a_100121572206_100009893172 [0,0,0,0,0,0|1,1,1]=3 132 B7R0.7 CCOC(C)COC 34a_100121572206_100000765312 [0,0,0,0,0,0|3,0,1]=4 133 B7R0.7 CCO[C@H](C)COC 34a_100011934205_100000210202 [0,0,0,0,0,0|3,0,1]=4 134 B7R0.7 CCSC(C)CCO 62a_100000210202_100009893172 [0,0,0,0,0,0|1,2,1]=4 135 B7R0.7 CCSC(C)CCO 62a_100009893172_100000210202 [0,0,0,0,0,0|1,2,1]=4 136 B7R0.7 CNCC(=O)NCO 2230a_106832991635_100000185155 [0,0,0,0,0,0|3,1,0]=4 137 B7R0.7 CNCC(=O)NCO 34a_100102657272_100000185155 [0,0,0,0,0,0|3,1,0]=4 138 B7R0.7 CNCC(=O)NCO 7a_106832991635_100000185155 [0,0,0,0,0,0|3,1,0]=4 139 B7R0.7 CNNC(=O)CC#N 22a_100016993582_100051588842 [0,0,0,0,0,0|3,0,1]=4 140 B7R0.7 CNNC(=O)CCO 22a_100016993582_100011216618 [0,0,0,0,0,0|2,1,0]=3 141 B7R0.7 CNNC(=O)COC 22a_100016993582_100000210968 [0,0,0,0,0,0|4,0,0]=4 142 B7R0.7 CNNC(=O)CSC 22a_100016993582_100000184570 [0,0,0,0,0,0|4,0,0]=4 143 B7R0.7 COCC(=O)CC#N 1458a_100000210968_100011214920 [0,0,0,0,0,0|3,0,1]=4 144 B7R0.7 COCC(=O)CCF 1458a_100000210968_100011217306 [0,0,0,0,0,0|3,0,0]=3 145 B7R0.7 COCC(=O)CCO 1458a_100000210968_100000211926 [0,0,0,0,0,0|2,1,0]=3 146 B7R0.7 COCC(=O)NCO 34a_100138415774_100000185155 [0,0,0,0,0,0|3,1,0]=4 147 B7R0.7 CSCC(=O)CC#N 1458a_100000184570_100011214920 [0,0,0,0,0,0|3,0,1]=4 148 B7R0.7 CSCC(=O)CCF 1458a_100000184570_100011217306 [0,0,0,0,0,0|3,0,0]=3 149 B7R0.7 CSCC(=O)CCO 1458a_100000184570_100000211926 [0,0,0,0,0,0|2,1,0]=3 150 B7R0.7 CSCC(=O)NCO 62a_100000185155_200000210301 [0,0,0,0,0,0|3,1,0]=4 151 B7R0.7 CSCC(=O)NCO 62a_200000210301_100000185155 [0,0,0,0,0,0|3,1,0]=4 152 B7R0.7 N#CCC(=O)CCF 1458a_100051588842_100011217306 [0,0,0,0,0,0|3,0,1]=4 153 B7R0.7 N#CCC(=O)CCO 1458a_100011216618_100011214920 [0,0,0,0,0,0|2,1,1]=4 154 B7R0.7 N#CCC(=O)CCO 1458a_100051588842_100000211926 [0,0,0,0,0,0|2,1,1]=4 155 B7R0.7 O=C(C=CBr)CCF 1458a_100016273825_100011217306 [0,0,0,0,0,0|3,0,1]=4 156 B7R0.7 O=C(C=CBr)CCO 1458a_100016273825_100000211926 [0,0,0,0,0,0|2,1,1]=4 157 B7R0.7 O=C(C=CCl)CCF 1458a_200016279998_100011217306 [0,0,0,0,0,0|3,0,1]=4 158 B7R0.7 O=C(C=CCl)CCO 1458a_200016279998_100000211926 [0,0,0,0,0,0|2,1,1]=4 159 B7R0.7 O=C(C=CI)CCF 1458a_100016256311_100011217306 [0,0,0,0,0,0|3,0,1]=4 160 B7R0.7 O=C(C=CI)CCO 1458a_100016256311_100000211926 [0,0,0,0,0,0|2,1,1]=4 161 B7R0.7 O=C(CCO)CCF 1458a_100011216618_100011217306 [0,0,0,0,0,0|2,1,0]=3 162 B7R0.7 O=C(CCO)CCO 1458a_100011216618_100000211926 [0,0,0,0,0,0|2,1,0]=3 163 B7R0.7 [13CH3]SCC(=O)NCO 62a_100000185155_200025704644 [0,0,0,0,0,0|3,1,0]=4 164 B7R0.7 [13CH3]SCC(=O)NCO 62a_200025704644_100000185155 [0,0,0,0,0,0|3,1,0]=4 165 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [1,0,0,0,0,0|1,0,2]=4 166 B6R0.1 C#CC(=O)CCF 1458a_100000211873_100011217306 [1,0,0,0,0,0|1,0,2]=4 167 B6R0.1 C#CC(=O)CCO 1458a_100000211873_100000211926 [1,0,0,0,0,0|0,1,2]=4 168 B6R0.1 C#CCC(=O)CC 1458a_100000210414_100000184674 [1,0,0,0,0,0|1,0,1]=3 169 B6R0.1 C#CCC(=O)CC 1458a_100011220946_100000210202 [1,0,0,0,0,0|1,0,1]=3 170 B6R0.1 C#CCC(=O)CF 1458a_100011220946_100015361967 [1,0,0,0,0,0|2,0,1]=4 171 B6R0.1 C#CCC(=O)CO 1458a_100000210174_100000184674 [1,0,0,0,0,0|2,0,1]=4 172 B6R0.1 C#CCC(=O)NC 1626a_100102657272_100011220946 [1,0,0,0,0,0|2,0,1]=4 173 B6R0.1 C#CCC(=O)NC 527a_100102657272_100011220946 [1,0,0,0,0,0|2,0,1]=4 174 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [1,0,0,0,0,0|1,0,2]=4 175 B6R0.1 C=CC(=O)CCF 1458a_100000185746_100011217306 [1,0,0,0,0,0|1,0,2]=4 176 B6R0.1 C=CC(=O)CCO 1458a_100000185746_100000211926 [1,0,0,0,0,0|0,1,2]=4 177 B6R0.1 C=CC(=O)NCC 240690a_100015525214_200121576911 [1,0,0,0,0,0|1,0,2]=4 178 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [1,0,0,0,0,0|1,0,1]=3 179 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [1,0,0,0,0,0|1,0,1]=3 180 B6R0.1 C=CCC(=O)CF 1458a_100000210193_100015361967 [1,0,0,0,0,0|2,0,1]=4 181 B6R0.1 C=CCC(=O)CO 1458a_100000210174_100000210623 [1,0,0,0,0,0|2,0,1]=4 182 B6R0.1 C=CCC(=O)NC 11a_106832991635_100000210193 [1,0,0,0,0,0|2,0,1]=4 183 B6R0.1 C=CCC(=O)NC 1626a_100102657272_100000210193 [1,0,0,0,0,0|2,0,1]=4 184 B6R0.1 C=CCC(=O)NC 240690a_100102657272_100000210193 [1,0,0,0,0,0|2,0,1]=4 185 B6R0.1 C=CCC(=O)NC 527a_100102657272_100000210193 [1,0,0,0,0,0|2,0,1]=4 186 B6R0.1 CC#CC(=O)CC 1458a_100000763181_100000210202 [1,0,0,0,0,0|1,0,1]=3 187 B6R0.1 CC#CC(=O)CF 1458a_100000763181_100015361967 [1,0,0,0,0,0|2,0,1]=4 188 B6R0.1 CC(CCBr)O[13CH3] 34a_100012276601_200025704644 [1,0,0,0,0,0|2,0,1]=4 189 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [1,0,0,0,0,0|1,0,1]=3 190 B6R0.1 CC=CC(=O)CF 1458a_100000210699_100015361967 [1,0,0,0,0,0|2,0,1]=4 191 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [1,0,0,0,0,0|2,0,1]=4 192 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [1,0,0,0,0,0|2,0,1]=4 193 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [1,0,0,0,0,0|2,0,1]=4 194 B6R0.1 CCC(=O)C=CBr 1458a_100016273825_100000210202 [1,0,0,0,0,0|1,0,2]=4 195 B6R0.1 CCC(=O)C=CCl 1458a_200016279998_100000210202 [1,0,0,0,0,0|1,0,2]=4 196 B6R0.1 CCC(=O)C=CI 1458a_100016256311_100000210202 [1,0,0,0,0,0|1,0,2]=4 197 B6R0.1 CCC(=O)CC#N 1458a_100000210414_100011214920 [1,0,0,0,0,0|1,0,1]=3 198 B6R0.1 CCC(=O)CC#N 1458a_100051588842_100000210202 [1,0,0,0,0,0|1,0,1]=3 199 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [1,0,0,0,0,0|1,0,0]=2 200 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [1,0,0,0,0,0|0,1,0]=2 201 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [1,0,0,0,0,0|0,1,0]=2 202 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [1,0,0,0,0,0|2,0,0]=3 203 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [1,0,0,0,0,0|2,0,0]=3 204 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [1,0,0,0,0,0|2,0,0]=3 205 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [1,0,0,0,0,0|2,0,0]=3 206 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [1,0,0,0,0,0|2,0,0]=3 207 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [1,0,0,0,0,0|2,0,0]=3 208 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [1,0,0,0,0,0|2,0,0]=3 209 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [1,0,0,0,0,0|2,0,0]=3 210 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [1,0,0,0,0,0|2,0,0]=3 211 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [1,0,0,0,0,0|2,0,0]=3 212 B6R0.1 CCC(C)OCF 7a_100000210228_100015361967 [1,0,0,0,0,0|2,0,1]=4 213 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [1,0,0,0,0,0|1,0,0]=2 214 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [1,0,0,0,0,0|1,0,0]=2 215 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [1,0,0,0,0,0|2,0,0]=3 216 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [1,0,0,0,0,0|1,1,0]=3 217 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [1,0,0,0,0,0|2,0,0]=3 218 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [1,0,0,0,0,0|2,0,0]=3 219 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [1,0,0,0,0,0|2,0,0]=3 220 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [1,0,0,0,0,0|2,0,0]=3 221 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [1,0,0,0,0,0|2,0,1]=4 222 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [1,0,0,0,0,0|2,0,1]=4 223 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [1,0,0,0,0,0|2,0,1]=4 224 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [1,0,0,0,0,0|2,0,1]=4 225 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [1,0,0,0,0,0|2,0,1]=4 226 B6R0.1 CCCN(C)CC 2230a_100000225621_100000210303 [1,0,0,0,0,0|3,0,0]=4 227 B6R0.1 CCCN(C)CC 2230a_100000226822_200000210301 [1,0,0,0,0,0|3,0,0]=4 228 B6R0.1 CCCN(C)CC 2230a_100000747261_100000210202 [1,0,0,0,0,0|3,0,0]=4 229 B6R0.1 CCCN(C)CC 269982a_100000225621_100000210303 [1,0,0,0,0,0|3,0,0]=4 230 B6R0.1 CCCN(C)CC 269982a_100000226822_200000210301 [1,0,0,0,0,0|3,0,0]=4 231 B6R0.1 CCCN(C)CC 269982a_100000747261_100000204670 [1,0,0,0,0,0|3,0,0]=4 232 B6R0.1 CCCN([13CH3])CC 2230a_100000226822_200025704644 [1,0,0,0,0,0|3,0,0]=4 233 B6R0.1 CCCN([13CH3])CC 269982a_100000226822_200025704644 [1,0,0,0,0,0|3,0,0]=4 234 B6R0.1 CCN(C)CCF 2230a_100000225621_100011217306 [1,0,0,0,0,0|3,0,0]=4 235 B6R0.1 CCN(C)CCF 269982a_100000225621_100011217306 [1,0,0,0,0,0|3,0,0]=4 236 B6R0.1 CCN(C)CCO 2230a_100000210263_100000210202 [1,0,0,0,0,0|2,1,0]=4 237 B6R0.1 CCN(C)CCO 2230a_100000210973_200000210301 [1,0,0,0,0,0|2,1,0]=4 238 B6R0.1 CCN(C)CCO 2230a_100000225621_100000211926 [1,0,0,0,0,0|2,1,0]=4 239 B6R0.1 CCN(C)CCO 269982a_100000210263_100000204670 [1,0,0,0,0,0|2,1,0]=4 240 B6R0.1 CCN(C)CCO 269982a_100000210973_200000210301 [1,0,0,0,0,0|2,1,0]=4 241 B6R0.1 CCN(C)CCO 269982a_100000225621_100000211926 [1,0,0,0,0,0|2,1,0]=4 242 B6R0.1 CCN([13CH3])CCO 2230a_100000210973_200025704644 [1,0,0,0,0,0|2,1,0]=4 243 B6R0.1 CCN([13CH3])CCO 269982a_100000210973_200025704644 [1,0,0,0,0,0|2,1,0]=4 244 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [1,0,0,0,0,0|1,0,0]=2 245 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [1,0,0,0,0,0|1,0,0]=2 246 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [1,0,0,0,0,0|1,0,0]=2 247 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [1,0,0,0,0,0|1,1,0]=3 248 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [1,0,0,0,0,0|1,1,0]=3 249 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [1,0,0,0,0,0|2,0,0]=3 250 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [1,0,0,0,0,0|2,0,0]=3 251 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [1,0,0,0,0,0|2,0,0]=3 252 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [1,0,0,0,0,0|2,0,0]=3 253 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [1,0,0,0,0,0|2,0,0]=3 254 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [1,0,0,0,0,0|2,0,0]=3 255 B6R0.1 CCNC(C)CC 2230a_100000209981_100000210202 [1,0,0,0,0,0|2,0,1]=4 256 B6R0.1 CCNC(C)CC 2230a_100015525214_100000758301 [1,0,0,0,0,0|2,0,1]=4 257 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [1,0,0,0,0,0|1,0,1]=3 258 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [1,0,0,0,0,0|1,0,1]=3 259 B6R0.1 CCOC(C)CF 34a_100016041109_100000210202 [1,0,0,0,0,0|2,0,1]=4 260 B6R0.1 CCOC(C)CF 7a_100016041109_100000210202 [1,0,0,0,0,0|2,0,1]=4 261 B6R0.1 CCOC(C)CN 34a_100000210904_100000210202 [1,0,0,0,0,0|2,0,1]=4 262 B6R0.1 CCOC(C)CO 34a_100121572206_100012180447 [1,0,0,0,0,0|1,1,1]=4 263 B6R0.1 CCSC(C)CC 62a_100000210202_100000758301 [1,0,0,0,0,0|1,1,1]=4 264 B6R0.1 CCSC(C)CC 62a_100000758301_100000210202 [1,0,0,0,0,0|1,1,1]=4 265 B6R0.1 CNC(=O)CC#N 1626a_100102657272_100051588842 [1,0,0,0,0,0|2,0,1]=4 266 B6R0.1 CNC(=O)CC#N 240690a_100102657272_100051588842 [1,0,0,0,0,0|2,0,1]=4 267 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [1,0,0,0,0,0|1,1,0]=3 268 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [1,0,0,0,0,0|3,0,0]=4 269 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [1,0,0,0,0,0|3,0,0]=4 270 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [1,0,0,0,0,0|3,0,0]=4 271 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [1,0,0,0,0,0|3,0,0]=4 272 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [1,0,0,0,0,0|3,0,0]=4 273 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [1,0,0,0,0,0|3,0,0]=4 274 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [1,0,0,0,0,0|3,0,0]=4 275 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [1,0,0,0,0,0|3,0,0]=4 276 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [1,0,0,0,0,0|3,0,0]=4 277 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [1,0,0,0,0,0|3,0,0]=4 278 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [1,0,0,0,0,0|3,0,0]=4 279 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [1,0,0,0,0,0|3,0,0]=4 280 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [1,0,0,0,0,0|3,0,0]=4 281 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [1,0,0,0,0,0|3,0,0]=4 282 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [1,0,0,0,0,0|3,0,0]=4 283 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [1,0,0,0,0,0|3,0,0]=4 284 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [1,0,0,0,0,0|3,0,0]=4 285 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [1,0,0,0,0,0|3,0,0]=4 286 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [1,0,0,0,0,0|3,0,0]=4 287 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [1,0,0,0,0,0|3,0,0]=4 288 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [1,0,0,0,0,0|2,0,0]=3 289 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [1,0,0,0,0,0|2,0,0]=3 290 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [1,0,0,0,0,0|2,0,0]=3 291 B6R0.1 CNNC(=O)CO 22a_100016993582_100000210174 [1,0,0,0,0,0|2,1,0]=4 292 B6R0.1 CNNC(=O)NC 273464a_100102657272_100016993582 [1,0,0,0,0,0|3,0,0]=4 293 B6R0.1 CNNC(=O)NC 512a_100016993582_100102657272 [1,0,0,0,0,0|3,0,0]=4 294 B6R0.1 CNNC(=O)NC 512a_106832991638_100016993582 [1,0,0,0,0,0|3,0,0]=4 295 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [1,0,0,0,0,0|2,0,0]=3 296 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [1,0,0,0,0,0|2,0,0]=3 297 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [1,0,0,0,0,0|2,0,0]=3 298 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [1,0,0,0,0,0|2,0,0]=3 299 B6R0.1 COC(C)CCBr 34a_100012276601_200000210301 [1,0,0,0,0,0|2,0,1]=4 300 B6R0.1 COC(C)CCO 34a_100138415774_100009893172 [1,0,0,0,0,0|1,1,1]=4 301 B6R0.1 COCC(=O)CF 1458a_100000210968_100015361967 [1,0,0,0,0,0|3,0,0]=4 302 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [1,0,0,0,0,0|2,0,0]=3 303 B6R0.1 CSCC(=O)CF 1458a_100000184570_100015361967 [1,0,0,0,0,0|3,0,0]=4 304 B6R0.1 N#CCC(=O)CF 1458a_100051588842_100015361967 [1,0,0,0,0,0|2,0,1]=4 305 B6R0.1 N#CCC(=O)CO 1458a_100000210174_100011214920 [1,0,0,0,0,0|2,0,1]=4 306 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [1,0,0,0,0,0|1,1,0]=3 307 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [1,0,0,0,0,0|2,0,0]=3 308 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [1,0,0,0,0,0|1,1,0]=3 309 B6R0.6 C#CCCOCC 34a_100011215631_100000210202 [1,0,0,0,0,0|1,0,2]=4 310 B6R0.6 C#CCCOCC 34a_100121572206_100000688953 [1,0,0,0,0,0|1,0,2]=4 311 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [1,0,0,0,0,0|1,0,2]=4 312 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [1,0,0,0,0,0|1,0,2]=4 313 B6R0.6 CC/C=C\CNC 2230a_106832991635_100103147603 [1,0,0,0,0,0|3,0,0]=4 314 B6R0.6 CC/C=C\CNC 34a_100102657272_100103147603 [1,0,0,0,0,0|3,0,0]=4 315 B6R0.6 CC/C=C\CNC 7a_106832991635_100103147603 [1,0,0,0,0,0|3,0,0]=4 316 B6R0.6 CC/C=C\COC 34a_100016268518_200000210301 [1,0,0,0,0,0|3,0,0]=4 317 B6R0.6 CC/C=C\COC 34a_100138415774_100103147603 [1,0,0,0,0,0|3,0,0]=4 318 B6R0.6 CC/C=C\CO[13CH3] 34a_100016268518_200025704644 [1,0,0,0,0,0|3,0,0]=4 319 B6R0.6 CC/C=C\CSC 62a_100103147603_200000210301 [1,0,0,0,0,0|3,0,0]=4 320 B6R0.6 CC/C=C\CSC 62a_200000210301_100103147603 [1,0,0,0,0,0|3,0,0]=4 321 B6R0.6 CC/C=C\CS[13CH3] 62a_100103147603_200025704644 [1,0,0,0,0,0|3,0,0]=4 322 B6R0.6 CC/C=C\CS[13CH3] 62a_200025704644_100103147603 [1,0,0,0,0,0|3,0,0]=4 323 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [1,0,0,0,0,0|2,0,1]=4 324 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [1,0,0,0,0,0|2,0,1]=4 325 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [1,0,0,0,0,0|2,0,1]=4 326 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [1,0,0,0,0,0|1,0,1]=3 327 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [1,0,0,0,0,0|1,0,1]=3 328 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [1,0,0,0,0,0|1,0,1]=3 329 B6R0.6 CCCCOCF 34a_100000210227_100015361967 [1,0,0,0,0,0|2,0,1]=4 330 B6R0.6 CCCCOCF 7a_100000210227_100015361967 [1,0,0,0,0,0|2,0,1]=4 331 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [1,0,0,0,0,0|1,1,1]=4 332 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [1,0,0,0,0,0|1,1,1]=4 333 B6R0.6 CCCNCCF 34a_100000724931_100000210303 [1,0,0,0,0,0|3,0,0]=4 334 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [1,0,0,0,0,0|2,1,0]=4 335 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [1,0,0,0,0,0|2,1,0]=4 336 B6R0.6 CCCOCCBr 34a_100000211926_100000210303 [1,0,0,0,0,0|3,0,0]=4 337 B6R0.6 CCCOCCC 34a_100000210258_100000210303 [1,0,0,0,0,0|3,0,0]=4 338 B6R0.6 CCCOCCF 34a_100000210258_100011217306 [1,0,0,0,0,0|3,0,0]=4 339 B6R0.6 CCCOCCN 34a_100000210304_100000210303 [1,0,0,0,0,0|3,0,0]=4 340 B6R0.6 CCCOCCO 34a_100000210258_100000211926 [1,0,0,0,0,0|2,1,0]=4 341 B6R0.6 CCCSCCC 62a_100000210303_100000210303 [1,0,0,0,0,0|3,0,0]=4 342 B6R0.6 CCCSCCF 62a_100000210303_100011217306 [1,0,0,0,0,0|3,0,0]=4 343 B6R0.6 CCCSCCF 62a_100011217306_100000210303 [1,0,0,0,0,0|3,0,0]=4 344 B6R0.6 CCCSCCO 62a_100000210303_100000211926 [1,0,0,0,0,0|2,1,0]=4 345 B6R0.6 CCCSCCO 62a_100000211926_100000210303 [1,0,0,0,0,0|2,1,0]=4 346 B6R0.6 CCNCCCF 2230a_100015189416_100000210202 [1,0,0,0,0,0|2,0,1]=4 347 B6R0.6 CCNCCCF 2230a_100015525214_100011934791 [1,0,0,0,0,0|2,0,1]=4 348 B6R0.6 CCNCCCF 34a_100015189416_100000210202 [1,0,0,0,0,0|2,0,1]=4 349 B6R0.6 CCNCCCO 2230a_100015525214_100000230001 [1,0,0,0,0,0|1,1,1]=4 350 B6R0.6 CCOCCCBr 34a_100011217188_100000210202 [1,0,0,0,0,0|1,0,1]=3 351 B6R0.6 CCOCCCCl 34a_100000230001_100000210202 [1,0,0,0,0,0|1,0,1]=3 352 B6R0.6 CCOCCCF 34a_100000759539_100000210202 [1,0,0,0,0,0|1,0,1]=3 353 B6R0.6 CCOCCCF 34a_100121572206_100011934791 [1,0,0,0,0,0|1,0,1]=3 354 B6R0.6 CCOCCCN 34a_100000182051_100000210202 [1,0,0,0,0,0|1,0,1]=3 355 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [1,0,0,0,0,0|0,1,1]=3 356 B6R0.6 CCOCCNC 2230a_102516460346_200000210301 [1,0,0,0,0,0|2,0,1]=4 357 B6R0.6 CCOCCNC 2230a_106832991635_100011215890 [1,0,0,0,0,0|2,0,1]=4 358 B6R0.6 CCOCCNC 34a_100102657272_100000210147 [1,0,0,0,0,0|2,0,1]=4 359 B6R0.6 CCOCCNC 34a_102516460346_200000210301 [1,0,0,0,0,0|2,0,1]=4 360 B6R0.6 CCOCCNC 7a_106832991635_100011215890 [1,0,0,0,0,0|2,0,1]=4 361 B6R0.6 CCOCCN[13CH3] 2230a_102516460346_200025704644 [1,0,0,0,0,0|2,0,1]=4 362 B6R0.6 CCOCCN[13CH3] 34a_102516460346_200025704644 [1,0,0,0,0,0|2,0,1]=4 363 B6R0.6 CCOCCOC 34a_100000210136_200000210301 [1,0,0,0,0,0|2,0,1]=4 364 B6R0.6 CCOCCOC 34a_100000210237_100000210202 [1,0,0,0,0,0|2,0,1]=4 365 B6R0.6 CCOCCOC 34a_100121572206_100011201679 [1,0,0,0,0,0|2,0,1]=4 366 B6R0.6 CCOCCOC 34a_100138415774_100000210147 [1,0,0,0,0,0|2,0,1]=4 367 B6R0.6 CCOCCOC 7a_100000210136_200000210301 [1,0,0,0,0,0|2,0,1]=4 368 B6R0.6 CCOCCON 34a_100000700252_100000210202 [1,0,0,0,0,0|2,0,1]=4 369 B6R0.6 CCOCCO[13CH3] 34a_100000210136_200025704644 [1,0,0,0,0,0|2,0,1]=4 370 B6R0.6 CCOCCO[13CH3] 7a_100000210136_200025704644 [1,0,0,0,0,0|2,0,1]=4 371 B6R0.6 CCOCCSC 34a_100000230434_100000210202 [1,0,0,0,0,0|2,0,1]=4 372 B6R0.6 CCOCCSC 34a_100121572206_100000212216 [1,0,0,0,0,0|2,0,1]=4 373 B6R0.6 CCOCCSC 62a_100000210147_200000210301 [1,0,0,0,0,0|2,0,1]=4 374 B6R0.6 CCOCCSC 62a_200000210301_100011215890 [1,0,0,0,0,0|2,0,1]=4 375 B6R0.6 CCOCCSC 7a_100000230434_100000210202 [1,0,0,0,0,0|2,0,1]=4 376 B6R0.6 CCOCCS[13CH3] 62a_100000210147_200025704644 [1,0,0,0,0,0|2,0,1]=4 377 B6R0.6 CCOCCS[13CH3] 62a_200025704644_100011215890 [1,0,0,0,0,0|2,0,1]=4 378 B6R0.6 CCOCSCC 62a_100000210202_100000739092 [1,0,0,0,0,0|2,0,1]=4 379 B6R0.6 CCOCSCC 62a_100000739092_100000210202 [1,0,0,0,0,0|2,0,1]=4 380 B6R0.6 CCOCSCF 62a_100000739092_100015361967 [1,0,0,0,0,0|2,0,1]=4 381 B6R0.6 CCOCSCF 62a_100015361967_100000739092 [1,0,0,0,0,0|2,0,1]=4 382 B6R0.6 CCSCCCF 62a_100000210202_100011934791 [1,0,0,0,0,0|1,1,1]=4 383 B6R0.6 CCSCCCF 62a_100011934791_100000210202 [1,0,0,0,0,0|1,1,1]=4 384 B6R0.6 CCSCCCO 62a_100000210202_100011215043 [1,0,0,0,0,0|0,2,1]=4 385 B6R0.6 CCSCCCO 62a_100011215043_100000210202 [1,0,0,0,0,0|0,2,1]=4 386 B6R0.6 FCCCOCF 34a_100000759539_100015361967 [1,0,0,0,0,0|2,0,1]=4 387 B6R0.6 FCOCCCBr 34a_100011217188_100015361967 [1,0,0,0,0,0|2,0,1]=4 388 B6R0.6 FCOCCCCl 34a_100000230001_100015361967 [1,0,0,0,0,0|2,0,1]=4 389 B6R0.6 NCCCOCF 34a_100000182051_100015361967 [1,0,0,0,0,0|2,0,1]=4 390 B8R0.1 C#CCC(=O)C#CCC 1458a_100011827653_100000184674 [0,1,0,0,0,0|2,0,1]=4 391 B8R0.1 C#CCC(=O)C=CCC 1458a_100000212282_100000184674 [0,1,0,0,0,0|2,0,1]=4 392 B8R0.1 C#CCC(=O)CCCC 1458a_100000210183_100000184674 [0,1,0,0,0,0|2,0,1]=4 393 B8R0.1 C#CCC(=O)CCCC 1458a_100011220946_100000210211 [0,1,0,0,0,0|2,0,1]=4 394 B8R0.1 C#CCC(=O)CCCF 1458a_100011220946_100011934791 [0,1,0,0,0,0|2,0,1]=4 395 B8R0.1 C#CCC(=O)CCCO 1458a_100011220946_100011215043 [0,1,0,0,0,0|2,0,1]=4 396 B8R0.1 C#CCC(=O)CCOC 1458a_100000749529_100000184674 [0,1,0,0,0,0|2,0,1]=4 397 B8R0.1 C#CCC(=O)CCOC 1458a_100011220946_100000233755 [0,1,0,0,0,0|2,0,1]=4 398 B8R0.1 C#CCC(=O)CCSC 1458a_100000174002_100000184674 [0,1,0,0,0,0|1,0,2]=4 399 B8R0.1 C#CCC(=O)CCSC 1458a_100011220946_100000751147 [0,1,0,0,0,0|1,0,2]=4 400 B8R0.1 C#CCC(=O)COCC 1458a_100000211967_100000184674 [0,1,0,0,0,0|1,0,1]=3 401 B8R0.1 C#CCC(=O)CSCC 1458a_100000230394_100000184674 [0,1,0,0,0,0|1,1,1]=4 402 B8R0.1 C#CCC(=O)NCCC 1626a_100020643023_100011220946 [0,1,0,0,0,0|2,0,1]=4 403 B8R0.1 C#CCC(=O)NCCC 527a_100020643023_100011220946 [0,1,0,0,0,0|2,0,1]=4 404 B8R0.1 C#CCC(=O)NCCF 1626a_100000724931_100011220946 [0,1,0,0,0,0|2,0,1]=4 405 B8R0.1 C#CCC(=O)NCCF 527a_100000724931_100011220946 [0,1,0,0,0,0|2,0,1]=4 406 B8R0.1 C#CCC(=O)NCCO 527a_100000210304_100011220946 [0,1,0,0,0,0|2,0,1]=4 407 B8R0.1 C#CCCC(=O)C#CC 1458a_100000763181_100000753159 [0,1,0,0,0,0|2,0,1]=4 408 B8R0.1 C#CCCC(=O)C=CC 1458a_100000210699_100000753159 [0,1,0,0,0,0|2,0,1]=4 409 B8R0.1 C#CCCC(=O)CCC 1458a_100000211992_100000753159 [0,1,0,0,0,0|2,0,0]=3 410 B8R0.1 C#CCCC(=O)CCC 1458a_100000692101_100000210303 [0,1,0,0,0,0|2,0,0]=3 411 B8R0.1 C#CCCC(=O)CCF 1458a_100000692101_100011217306 [0,1,0,0,0,0|2,0,1]=4 412 B8R0.1 C#CCCC(=O)CCO 1458a_100000692101_100000211926 [0,1,0,0,0,0|1,1,1]=4 413 B8R0.1 C#CCCC(=O)CCO 1458a_100011216618_100000753159 [0,1,0,0,0,0|1,1,1]=4 414 B8R0.1 C#CCCC(=O)COC 1458a_100000210968_100000753159 [0,1,0,0,0,0|3,0,0]=4 415 B8R0.1 C#CCCC(=O)CSC 1458a_100000184570_100000753159 [0,1,0,0,0,0|3,0,0]=4 416 B8R0.1 C#CCCC(=O)NCC 11a_100015525214_100000692101 [0,1,0,0,0,0|2,0,0]=3 417 B8R0.1 C#CCCC(=O)NCC 240690a_100015525214_100000692101 [0,1,0,0,0,0|2,0,0]=3 418 B8R0.1 C#CCCC(=O)NCC 527a_100015525214_100000692101 [0,1,0,0,0,0|2,0,0]=3 419 B8R0.1 C#CCCC(=O)NNC 22a_100016993582_100000692101 [0,1,0,0,0,0|3,0,0]=4 420 B8R0.1 C#CCNC(=O)CCC 11a_100000212058_100000211992 [0,1,0,0,0,0|2,0,1]=4 421 B8R0.1 C#CCNC(=O)CCC 1626a_100000212058_100000211992 [0,1,0,0,0,0|2,0,1]=4 422 B8R0.1 C#CCNC(=O)CCC 240690a_100000212058_100000211992 [0,1,0,0,0,0|2,0,1]=4 423 B8R0.1 C#CCNC(=O)CCC 527a_100000212058_100000211992 [0,1,0,0,0,0|2,0,1]=4 424 B8R0.1 C#CCNC(=O)CCO 240690a_100000212058_100011216618 [0,1,0,0,0,0|1,1,1]=4 425 B8R0.1 C#CCNC(=O)NCC 2708a_100000212058_100015525214 [0,1,0,0,0,0|2,0,1]=4 426 B8R0.1 C#CCNC(=O)NCC 2708a_100015525214_100000212058 [0,1,0,0,0,0|2,0,1]=4 427 B8R0.1 C#CCNC(=O)NCC 273464a_100000212058_100015525214 [0,1,0,0,0,0|2,0,1]=4 428 B8R0.1 C#CCNC(=O)NCC 273464a_100015525214_100000212058 [0,1,0,0,0,0|2,0,1]=4 429 B8R0.1 C#CCNC(=O)NCC 512a_100000212058_100015525214 [0,1,0,0,0,0|2,0,1]=4 430 B8R0.1 C#CCNC(=O)NCC 512a_100015525214_100000212058 [0,1,0,0,0,0|2,0,1]=4 431 B8R0.1 C/C=C/CC(=O)CCC 1458a_100000211992_100102629194 [0,1,0,0,0,0|2,0,1]=4 432 B8R0.1 C/C=C/CC(=O)CCO 1458a_100011216618_100102629194 [0,1,0,0,0,0|1,1,1]=4 433 B8R0.1 C=C(CNC)OCOC 34a_100102657272_100000042856 [0,1,0,0,0,0|3,0,0]=4 434 B8R0.1 C=C(COC)OCOC 34a_100138415774_100000042856 [0,1,0,0,0,0|3,0,0]=4 435 B8R0.1 C=C(CSC)OCOC 62a_100000042856_200000210301 [0,1,0,0,0,0|3,0,0]=4 436 B8R0.1 C=C(CSC)OCOC 62a_200000210301_100000042856 [0,1,0,0,0,0|3,0,0]=4 437 B8R0.1 C=C(CS[13CH3])OCOC 62a_100000042856_200025704644 [0,1,0,0,0,0|3,0,0]=4 438 B8R0.1 C=C(CS[13CH3])OCOC 62a_200025704644_100000042856 [0,1,0,0,0,0|3,0,0]=4 439 B8R0.1 C=CCC(=O)C#CCC 1458a_100011827653_100000210623 [0,1,0,0,0,0|2,0,1]=4 440 B8R0.1 C=CCC(=O)C=CCC 1458a_100000212282_100000210623 [0,1,0,0,0,0|2,0,1]=4 441 B8R0.1 C=CCC(=O)CCCC 1458a_100000210183_100000210623 [0,1,0,0,0,0|2,0,1]=4 442 B8R0.1 C=CCC(=O)CCCC 1458a_100000210193_100000210211 [0,1,0,0,0,0|2,0,1]=4 443 B8R0.1 C=CCC(=O)CCCF 1458a_100000210193_100011934791 [0,1,0,0,0,0|2,0,1]=4 444 B8R0.1 C=CCC(=O)CCCO 1458a_100000210193_100011215043 [0,1,0,0,0,0|2,0,1]=4 445 B8R0.1 C=CCC(=O)CCOC 1458a_100000210193_100000233755 [0,1,0,0,0,0|2,0,1]=4 446 B8R0.1 C=CCC(=O)CCOC 1458a_100000749529_100000210623 [0,1,0,0,0,0|2,0,1]=4 447 B8R0.1 C=CCC(=O)CCSC 1458a_100000174002_100000210623 [0,1,0,0,0,0|1,0,2]=4 448 B8R0.1 C=CCC(=O)CCSC 1458a_100000210193_100000751147 [0,1,0,0,0,0|1,0,2]=4 449 B8R0.1 C=CCC(=O)COCC 1458a_100000211967_100000210623 [0,1,0,0,0,0|1,0,1]=3 450 B8R0.1 C=CCC(=O)CSCC 1458a_100000230394_100000210623 [0,1,0,0,0,0|1,1,1]=4 451 B8R0.1 C=CCC(=O)NCCC 11a_100020643023_100000210193 [0,1,0,0,0,0|2,0,1]=4 452 B8R0.1 C=CCC(=O)NCCC 1626a_100020643023_100000210193 [0,1,0,0,0,0|2,0,1]=4 453 B8R0.1 C=CCC(=O)NCCC 240690a_100020643023_100000210193 [0,1,0,0,0,0|2,0,1]=4 454 B8R0.1 C=CCC(=O)NCCC 527a_100020643023_100000210193 [0,1,0,0,0,0|2,0,1]=4 455 B8R0.1 C=CCC(=O)NCCF 11a_100000724931_100000210193 [0,1,0,0,0,0|2,0,1]=4 456 B8R0.1 C=CCC(=O)NCCF 1626a_100000724931_100000210193 [0,1,0,0,0,0|2,0,1]=4 457 B8R0.1 C=CCC(=O)NCCF 240690a_100000724931_100000210193 [0,1,0,0,0,0|2,0,1]=4 458 B8R0.1 C=CCC(=O)NCCF 527a_100000724931_100000210193 [0,1,0,0,0,0|2,0,1]=4 459 B8R0.1 C=CCC(=O)NCCO 240690a_100000210304_100000210193 [0,1,0,0,0,0|2,0,1]=4 460 B8R0.1 C=CCC(=O)NCCO 527a_100000210304_100000210193 [0,1,0,0,0,0|2,0,1]=4 461 B8R0.1 C=CCC(=O)NNCC 22a_100000756455_100000210193 [0,1,0,0,0,0|2,0,1]=4 462 B8R0.1 C=CCCC(=O)C#CC 1458a_100000763181_100000754431 [0,1,0,0,0,0|2,0,1]=4 463 B8R0.1 C=CCCC(=O)C=CC 1458a_100000210699_100000754431 [0,1,0,0,0,0|2,0,1]=4 464 B8R0.1 C=CCCC(=O)CCC 1458a_100000211992_100000754431 [0,1,0,0,0,0|2,0,0]=3 465 B8R0.1 C=CCCC(=O)CCC 1458a_100000749702_100000210303 [0,1,0,0,0,0|2,0,0]=3 466 B8R0.1 C=CCCC(=O)CCF 1458a_100000749702_100011217306 [0,1,0,0,0,0|2,0,1]=4 467 B8R0.1 C=CCCC(=O)CCO 1458a_100000749702_100000211926 [0,1,0,0,0,0|1,1,1]=4 468 B8R0.1 C=CCCC(=O)CCO 1458a_100011216618_100000754431 [0,1,0,0,0,0|1,1,1]=4 469 B8R0.1 C=CCCC(=O)COC 1458a_100000210968_100000754431 [0,1,0,0,0,0|3,0,0]=4 470 B8R0.1 C=CCCC(=O)CSC 1458a_100000184570_100000754431 [0,1,0,0,0,0|3,0,0]=4 471 B8R0.1 C=CCCC(=O)NCC 11a_100015525214_100000749702 [0,1,0,0,0,0|2,0,0]=3 472 B8R0.1 C=CCCC(=O)NCC 240690a_100015525214_100000749702 [0,1,0,0,0,0|2,0,0]=3 473 B8R0.1 C=CCCC(=O)NCC 527a_100015525214_100000749702 [0,1,0,0,0,0|2,0,0]=3 474 B8R0.1 C=CCCC(=O)NNC 22a_100016993582_100000749702 [0,1,0,0,0,0|3,0,0]=4 475 B8R0.1 C=CCCC(C)OCC 34a_100000765329_100000210202 [0,1,0,0,0,0|2,0,1]=4 476 B8R0.1 C=CCCC(C)OCC 7a_100000765329_100000210202 [0,1,0,0,0,0|2,0,1]=4 477 B8R0.1 C=CCNC(=O)CCC 1626a_100020586998_100000211992 [0,1,0,0,0,0|2,0,1]=4 478 B8R0.1 C=CCNC(=O)CCC 240690a_100020586998_100000211992 [0,1,0,0,0,0|2,0,1]=4 479 B8R0.1 C=CCNC(=O)CCC 527a_100020586998_100000211992 [0,1,0,0,0,0|2,0,1]=4 480 B8R0.1 C=CCNC(=O)CCO 240690a_100020586998_100011216618 [0,1,0,0,0,0|1,1,1]=4 481 B8R0.1 C=CCNC(=O)NCC 2708a_100015525214_100020586998 [0,1,0,0,0,0|2,0,1]=4 482 B8R0.1 C=CCNC(=O)NCC 273464a_100015525214_100020586998 [0,1,0,0,0,0|2,0,1]=4 483 B8R0.1 C=CCNC(=O)NCC 273464a_100020586998_100015525214 [0,1,0,0,0,0|2,0,1]=4 484 B8R0.1 C=CCNC(=O)NCC 512a_100015525214_100020586998 [0,1,0,0,0,0|2,0,1]=4 485 B8R0.1 C=CCNC(=O)NCC 512a_100020586998_100015525214 [0,1,0,0,0,0|2,0,1]=4 486 B8R0.1 C=CCOC(=O)CNC 2230a_106832991635_100000033060 [0,1,0,0,0,0|2,0,1]=4 487 B8R0.1 C=CCOC(=O)CNC 34a_100102657272_100000033060 [0,1,0,0,0,0|2,0,1]=4 488 B8R0.1 C=CCOC(=O)CNC 7a_106832991635_100000033060 [0,1,0,0,0,0|2,0,1]=4 489 B8R0.1 C=CCOC(=O)COC 34a_100138415774_100000033060 [0,1,0,0,0,0|2,0,1]=4 490 B8R0.1 C=CCOC(=O)CSC 62a_100000033060_200000210301 [0,1,0,0,0,0|2,0,1]=4 491 B8R0.1 C=CCOC(=O)CSC 62a_200000210301_100000033060 [0,1,0,0,0,0|2,0,1]=4 492 B8R0.1 C=CCOC(=O)CS[13CH3] 62a_100000033060_200025704644 [0,1,0,0,0,0|2,0,1]=4 493 B8R0.1 C=CCOC(=O)CS[13CH3] 62a_200025704644_100000033060 [0,1,0,0,0,0|2,0,1]=4 494 B8R0.1 C=COC(=O)CNCC 2230a_100015525214_100000036128 [0,1,0,0,0,0|1,0,2]=4 495 B8R0.1 C=COC(=O)COCC 34a_100121572206_100000036128 [0,1,0,0,0,0|1,0,2]=4 496 B8R0.1 C=COC(=O)CSCC 62a_100000036128_100000210202 [0,1,0,0,0,0|1,0,2]=4 497 B8R0.1 C=COC(=O)CSCC 62a_100000210202_100000036128 [0,1,0,0,0,0|1,0,2]=4 498 B8R0.1 C=COC(=O)CSCF 62a_100000036128_100015361967 [0,1,0,0,0,0|1,0,2]=4 499 B8R0.1 C=COC(=O)CSCF 62a_100015361967_100000036128 [0,1,0,0,0,0|1,0,2]=4 500 B8R0.1 CC#CC(=O)CCC#N 1458a_100000763181_100011215226 [0,1,0,0,0,0|2,0,1]=4 501 B8R0.1 CC#CC(=O)CCCC 1458a_100000763181_100000210211 [0,1,0,0,0,0|2,0,1]=4 502 B8R0.1 CC#CC(=O)CCCF 1458a_100000763181_100011934791 [0,1,0,0,0,0|2,0,1]=4 503 B8R0.1 CC#CC(=O)CCCO 1458a_100000763181_100011215043 [0,1,0,0,0,0|1,1,1]=4 504 B8R0.1 CC#CC(=O)CCOC 1458a_100000763181_100000233755 [0,1,0,0,0,0|1,1,1]=4 505 B8R0.1 CC#CC(=O)CCSC 1458a_100000763181_100000751147 [0,1,0,0,0,0|1,0,1]=3 506 B8R0.1 CC#CCC(=O)CCC 1458a_100000211992_100000748600 [0,1,0,0,0,0|2,0,1]=4 507 B8R0.1 CC#CCC(=O)CCO 1458a_100011216618_100000748600 [0,1,0,0,0,0|1,1,1]=4 508 B8R0.1 CC(CCBr)OCCF 34a_100012276601_100011217306 [0,1,0,0,0,0|2,0,1]=4 509 B8R0.1 CC(CCBr)OCCO 34a_100012276601_100000211926 [0,1,0,0,0,0|2,0,1]=4 510 B8R0.1 CC(CCO)OCCBr 34a_100000211926_100009893172 [0,1,0,0,0,0|1,1,1]=4 511 B8R0.1 CC(CCO)OCCN 34a_100000210304_100009893172 [0,1,0,0,0,0|1,1,1]=4 512 B8R0.1 CC=CC(=O)CCC#N 1458a_100000210699_100011215226 [0,1,0,0,0,0|2,0,1]=4 513 B8R0.1 CC=CC(=O)CCCC 1458a_100000210699_100000210211 [0,1,0,0,0,0|2,0,1]=4 514 B8R0.1 CC=CC(=O)CCCF 1458a_100000210699_100011934791 [0,1,0,0,0,0|2,0,1]=4 515 B8R0.1 CC=CC(=O)CCCO 1458a_100000210699_100011215043 [0,1,0,0,0,0|1,1,1]=4 516 B8R0.1 CC=CC(=O)CCOC 1458a_100000210699_100000233755 [0,1,0,0,0,0|1,1,1]=4 517 B8R0.1 CC=CC(=O)CCSC 1458a_100000210699_100000751147 [0,1,0,0,0,0|1,0,1]=3 518 B8R0.1 CC=CC(=O)NCCC 11a_100020643023_100000210699 [0,1,0,0,0,0|2,0,1]=4 519 B8R0.1 CC=CC(=O)NCCC 1626a_100020643023_100000210699 [0,1,0,0,0,0|2,0,1]=4 520 B8R0.1 CC=CC(=O)NCCC 240690a_100020643023_100000210699 [0,1,0,0,0,0|2,0,1]=4 521 B8R0.1 CC=CC(=O)NCCF 11a_100000724931_100000210699 [0,1,0,0,0,0|2,0,1]=4 522 B8R0.1 CC=CC(=O)NCCF 1626a_100000724931_100000210699 [0,1,0,0,0,0|2,0,1]=4 523 B8R0.1 CC=CC(=O)NCCF 240690a_100000724931_100000210699 [0,1,0,0,0,0|2,0,1]=4 524 B8R0.1 CC=CC(=O)NCCO 240690a_100000210304_100000210699 [0,1,0,0,0,0|1,1,1]=4 525 B8R0.1 CC=CCC(=O)CCC 1458a_100000211992_100000070051 [0,1,0,0,0,0|2,0,1]=4 526 B8R0.1 CC=CCC(=O)CCC 1458a_100121576822_100000210303 [0,1,0,0,0,0|2,0,1]=4 527 B8R0.1 CC=CCC(=O)CCF 1458a_100121576822_100011217306 [0,1,0,0,0,0|2,0,1]=4 528 B8R0.1 CC=CCC(=O)CCO 1458a_100011216618_100000070051 [0,1,0,0,0,0|1,1,1]=4 529 B8R0.1 CC=CCC(=O)CCO 1458a_100121576822_100000211926 [0,1,0,0,0,0|1,1,1]=4 530 B8R0.1 CC=CCC(=O)NCC 11a_100015525214_100121576822 [0,1,0,0,0,0|2,0,1]=4 531 B8R0.1 CC=CCC(=O)NCC 240690a_100015525214_100121576822 [0,1,0,0,0,0|2,0,1]=4 532 B8R0.1 CC=CCC(=O)NCC 527a_100015525214_100121576822 [0,1,0,0,0,0|2,0,1]=4 533 B8R0.1 CC=NNC(=O)CCC 4a_100000189770_200000210099 [0,1,0,0,0,0|2,0,1]=4 534 B8R0.1 CCC#CC(=O)CC#N 1458a_100011827653_100011214920 [0,1,0,0,0,0|2,0,1]=4 535 B8R0.1 CCC#CC(=O)CCC 1458a_100011827653_100000210303 [0,1,0,0,0,0|2,0,0]=3 536 B8R0.1 CCC#CC(=O)CCF 1458a_100011827653_100011217306 [0,1,0,0,0,0|2,0,0]=3 537 B8R0.1 CCC#CC(=O)CCO 1458a_100011827653_100000211926 [0,1,0,0,0,0|1,1,0]=3 538 B8R0.1 CCC=CC(=O)CC#N 1458a_100000212282_100011214920 [0,1,0,0,0,0|2,0,1]=4 539 B8R0.1 CCC=CC(=O)CCC 1458a_100000212282_100000210303 [0,1,0,0,0,0|2,0,0]=3 540 B8R0.1 CCC=CC(=O)CCF 1458a_100000212282_100011217306 [0,1,0,0,0,0|2,0,0]=3 541 B8R0.1 CCC=CC(=O)CCO 1458a_100000212282_100000211926 [0,1,0,0,0,0|1,1,0]=3 542 B8R0.1 CCC=CC(=O)NCC 11a_100015525214_100000212282 [0,1,0,0,0,0|2,0,1]=4 543 B8R0.1 CCC=CC(=O)NCC 240690a_100015525214_100000212282 [0,1,0,0,0,0|2,0,1]=4 544 B8R0.1 CCCC(=NNCC)C 4a_100000756455_100000211909 [0,1,0,0,0,0|3,0,0]=4 545 B8R0.1 CCCC(=O)C#CCO 1458a_100000049017_100000210303 [0,1,0,0,0,0|1,1,1]=4 546 B8R0.1 CCCC(=O)C=COC 1458a_100016268678_100000210303 [0,1,0,0,0,0|2,0,1]=4 547 B8R0.1 CCCC(=O)CCC#N 1458a_100000211992_100011215226 [0,1,0,0,0,0|2,0,0]=3 548 B8R0.1 CCCC(=O)CCC#N 1458a_100011934036_100000210303 [0,1,0,0,0,0|2,0,0]=3 549 B8R0.1 CCCC(=O)CCCF 1458a_100000211992_100011934791 [0,1,0,0,0,0|2,0,0]=3 550 B8R0.1 CCCC(=O)CCCO 1458a_100000211992_100011215043 [0,1,0,0,0,0|1,1,0]=3 551 B8R0.1 CCCC(=O)CCOC 1458a_100000211992_100000233755 [0,1,0,0,0,0|1,1,0]=3 552 B8R0.1 CCCC(=O)CCOC 1458a_100000749529_100000210303 [0,1,0,0,0,0|1,1,0]=3 553 B8R0.1 CCCC(=O)CCSC 1458a_100000174002_100000210303 [0,1,0,0,0,0|1,0,0]=2 554 B8R0.1 CCCC(=O)CCSC 1458a_100000211992_100000751147 [0,1,0,0,0,0|1,0,0]=2 555 B8R0.1 CCCC(=O)CNCC 2230a_100015525214_100000747444 [0,1,0,0,0,0|2,0,0]=3 556 B8R0.1 CCCC(=O)COCC 1458a_100000211967_100000210303 [0,1,0,0,0,0|1,0,0]=2 557 B8R0.1 CCCC(=O)CSCC 1458a_100000230394_100000210303 [0,1,0,0,0,0|1,1,0]=3 558 B8R0.1 CCCC(=O)CSCC 62a_100000210202_100000747444 [0,1,0,0,0,0|1,1,0]=3 559 B8R0.1 CCCC(=O)CSCC 62a_100000747444_100000210202 [0,1,0,0,0,0|1,1,0]=3 560 B8R0.1 CCCC(=O)CSCF 62a_100000747444_100015361967 [0,1,0,0,0,0|2,0,0]=3 561 B8R0.1 CCCC(=O)CSCF 62a_100015361967_100000747444 [0,1,0,0,0,0|2,0,0]=3 562 B8R0.1 CCCC(=O)NCC#N 1626a_100000734998_100000211992 [0,1,0,0,0,0|2,0,1]=4 563 B8R0.1 CCCC(=O)NCC#N 527a_100000734998_100000211992 [0,1,0,0,0,0|2,0,1]=4 564 B8R0.1 CCCC(=O)NCCF 11a_100000724931_100000211992 [0,1,0,0,0,0|2,0,0]=3 565 B8R0.1 CCCC(=O)NCCF 1626a_100000724931_100000211992 [0,1,0,0,0,0|2,0,0]=3 566 B8R0.1 CCCC(=O)NCCF 240690a_100000724931_100000211992 [0,1,0,0,0,0|2,0,0]=3 567 B8R0.1 CCCC(=O)NCCF 527a_100000724931_100000211992 [0,1,0,0,0,0|2,0,0]=3 568 B8R0.1 CCCC(=O)NCCO 240690a_100000210304_100000211992 [0,1,0,0,0,0|1,1,0]=3 569 B8R0.1 CCCC(=O)NCCO 527a_100000210304_100000211992 [0,1,0,0,0,0|1,1,0]=3 570 B8R0.1 CCCC(=O)NNCC 22a_100000756455_100000211992 [0,1,0,0,0,0|2,0,0]=3 571 B8R0.1 CCCC(=O)OCNC 2230a_106832991635_100000034017 [0,1,0,0,0,0|1,0,0]=2 572 B8R0.1 CCCC(=O)OCNC 34a_100102657272_100000034017 [0,1,0,0,0,0|1,0,0]=2 573 B8R0.1 CCCC(=O)OCOC 34a_100138415774_100000034017 [0,1,0,0,0,0|1,0,0]=2 574 B8R0.1 CCCC(=O)OCSC 62a_200000210301_100000034017 [0,1,0,0,0,0|1,0,0]=2 575 B8R0.1 CCCC(=O)OCS[13CH3] 62a_200025704644_100000034017 [0,1,0,0,0,0|1,0,0]=2 576 B8R0.1 CCCC(C)COCC 34a_100000688023_100000210202 [0,1,0,0,0,0|2,0,1]=4 577 B8R0.1 CCCC(C)COCC 34a_100121572206_100011216630 [0,1,0,0,0,0|2,0,1]=4 578 B8R0.1 CCCC(C)COCC 7a_100000688023_100000210202 [0,1,0,0,0,0|2,0,1]=4 579 B8R0.1 CCCC(C)OCCBr 34a_100000211926_100000766640 [0,1,0,0,0,0|2,0,1]=4 580 B8R0.1 CCCC(C)OCCF 34a_100000764384_100011217306 [0,1,0,0,0,0|2,0,1]=4 581 B8R0.1 CCCC(C)OCCF 7a_100000764384_100011217306 [0,1,0,0,0,0|2,0,1]=4 582 B8R0.1 CCCC(C)OCCN 34a_100000210304_100000766640 [0,1,0,0,0,0|2,0,1]=4 583 B8R0.1 CCCC(C)OCCO 34a_100000764384_100000211926 [0,1,0,0,0,0|2,0,1]=4 584 B8R0.1 CCCC(C)OCCO 7a_100000764384_100000211926 [0,1,0,0,0,0|2,0,1]=4 585 B8R0.1 CCCC(C)OCSC 34a_100000764384_100011218213 [0,1,0,0,0,0|2,0,1]=4 586 B8R0.1 CCCCC(=O)CC#N 1458a_100000210183_100011214920 [0,1,0,0,0,0|2,0,1]=4 587 B8R0.1 CCCCC(=O)CC#N 1458a_100051588842_100000210211 [0,1,0,0,0,0|2,0,1]=4 588 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [0,1,0,0,0,0|2,0,0]=3 589 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [0,1,0,0,0,0|2,0,0]=3 590 B8R0.1 CCCCC(=O)CCF 1458a_100000210183_100011217306 [0,1,0,0,0,0|2,0,0]=3 591 B8R0.1 CCCCC(=O)CCO 1458a_100000210183_100000211926 [0,1,0,0,0,0|1,1,0]=3 592 B8R0.1 CCCCC(=O)CCO 1458a_100011216618_100000210211 [0,1,0,0,0,0|1,1,0]=3 593 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [0,1,0,0,0,0|3,0,0]=4 594 B8R0.1 CCCCC(=O)CSC 1458a_100000184570_100000210211 [0,1,0,0,0,0|3,0,0]=4 595 B8R0.1 CCCCC(=O)NCC 11a_100015525214_100000210183 [0,1,0,0,0,0|2,0,0]=3 596 B8R0.1 CCCCC(=O)NCC 240690a_100015525214_100000210183 [0,1,0,0,0,0|2,0,0]=3 597 B8R0.1 CCCCC(=O)NCC 527a_100015525214_100000210183 [0,1,0,0,0,0|2,0,0]=3 598 B8R0.1 CCCCC(=O)NNC 22a_100016993582_100000210183 [0,1,0,0,0,0|3,0,0]=4 599 B8R0.1 CCCCC(C)OCC 34a_100000687866_100000210202 [0,1,0,0,0,0|2,0,1]=4 600 B8R0.1 CCCCC(C)OCC 34a_100121572206_200011215066 [0,1,0,0,0,0|2,0,1]=4 601 B8R0.1 CCCCC(C)OCC 7a_100000687866_100000210202 [0,1,0,0,0,0|2,0,1]=4 602 B8R0.1 CCCN(C)CCSC 2230a_100000686725_100000210303 [0,1,0,0,0,0|3,0,0]=4 603 B8R0.1 CCCN(C)CCSC 2230a_100000747261_100000751147 [0,1,0,0,0,0|3,0,0]=4 604 B8R0.1 CCCN(C)CCSC 269982a_100000686725_100000210303 [0,1,0,0,0,0|3,0,0]=4 605 B8R0.1 CCCN(C)CCSC 269982a_100000747261_100000212216 [0,1,0,0,0,0|3,0,0]=4 606 B8R0.1 CCCN(C)COCC 269982a_100000747261_100000739092 [0,1,0,0,0,0|3,0,0]=4 607 B8R0.1 CCCNC(=O)CC#N 1626a_100020643023_100051588842 [0,1,0,0,0,0|2,0,1]=4 608 B8R0.1 CCCNC(=O)CC#N 240690a_100020643023_100051588842 [0,1,0,0,0,0|2,0,1]=4 609 B8R0.1 CCCNC(=O)CCC 11a_100020643023_100000211992 [0,1,0,0,0,0|2,0,0]=3 610 B8R0.1 CCCNC(=O)CCC 1626a_100020643023_100000211992 [0,1,0,0,0,0|2,0,0]=3 611 B8R0.1 CCCNC(=O)CCC 240690a_100020643023_100000211992 [0,1,0,0,0,0|2,0,0]=3 612 B8R0.1 CCCNC(=O)CCC 527a_100020643023_100000211992 [0,1,0,0,0,0|2,0,0]=3 613 B8R0.1 CCCNC(=O)CCO 240690a_100020643023_100011216618 [0,1,0,0,0,0|1,1,0]=3 614 B8R0.1 CCCNC(=O)CNC 2230a_100000174927_200000210301 [0,1,0,0,0,0|3,0,0]=4 615 B8R0.1 CCCNC(=O)CNC 2230a_106832991635_100000183358 [0,1,0,0,0,0|3,0,0]=4 616 B8R0.1 CCCNC(=O)CNC 34a_100102657272_100000183358 [0,1,0,0,0,0|3,0,0]=4 617 B8R0.1 CCCNC(=O)CNC 7a_106832991635_100000183358 [0,1,0,0,0,0|3,0,0]=4 618 B8R0.1 CCCNC(=O)CN[13CH3] 2230a_100000174927_200025704644 [0,1,0,0,0,0|3,0,0]=4 619 B8R0.1 CCCNC(=O)COC 11a_100020643023_100000210968 [0,1,0,0,0,0|3,0,0]=4 620 B8R0.1 CCCNC(=O)COC 1626a_100020643023_100000210968 [0,1,0,0,0,0|3,0,0]=4 621 B8R0.1 CCCNC(=O)COC 240690a_100020643023_100000210968 [0,1,0,0,0,0|3,0,0]=4 622 B8R0.1 CCCNC(=O)COC 34a_100138415774_100000183358 [0,1,0,0,0,0|3,0,0]=4 623 B8R0.1 CCCNC(=O)COC 527a_100020643023_100000210968 [0,1,0,0,0,0|3,0,0]=4 624 B8R0.1 CCCNC(=O)CSC 11a_100020643023_100000184570 [0,1,0,0,0,0|3,0,0]=4 625 B8R0.1 CCCNC(=O)CSC 1626a_100020643023_100000184570 [0,1,0,0,0,0|3,0,0]=4 626 B8R0.1 CCCNC(=O)CSC 240690a_100020643023_100000184570 [0,1,0,0,0,0|3,0,0]=4 627 B8R0.1 CCCNC(=O)CSC 527a_100020643023_100000184570 [0,1,0,0,0,0|3,0,0]=4 628 B8R0.1 CCCNC(=O)CSC 62a_100000183358_200000210301 [0,1,0,0,0,0|3,0,0]=4 629 B8R0.1 CCCNC(=O)CSC 62a_200000210301_100000183358 [0,1,0,0,0,0|3,0,0]=4 630 B8R0.1 CCCNC(=O)CS[13CH3] 62a_100000183358_200025704644 [0,1,0,0,0,0|3,0,0]=4 631 B8R0.1 CCCNC(=O)CS[13CH3] 62a_200025704644_100000183358 [0,1,0,0,0,0|3,0,0]=4 632 B8R0.1 CCCNC(=O)NCC 2708a_100015525214_100020643023 [0,1,0,0,0,0|2,0,0]=3 633 B8R0.1 CCCNC(=O)NCC 2708a_100020643023_100015525214 [0,1,0,0,0,0|2,0,0]=3 634 B8R0.1 CCCNC(=O)NCC 273464a_100015525214_100020643023 [0,1,0,0,0,0|2,0,0]=3 635 B8R0.1 CCCNC(=O)NCC 273464a_100020643023_100015525214 [0,1,0,0,0,0|2,0,0]=3 636 B8R0.1 CCCNC(=O)NCC 512a_100015525214_100020643023 [0,1,0,0,0,0|2,0,0]=3 637 B8R0.1 CCCNC(=O)NCC 512a_100020643023_100015525214 [0,1,0,0,0,0|2,0,0]=3 638 B8R0.1 CCCNC(=O)NNC 273464a_100020643023_100016993582 [0,1,0,0,0,0|3,0,0]=4 639 B8R0.1 CCCNC(=O)NNC 512a_100016993582_100020643023 [0,1,0,0,0,0|3,0,0]=4 640 B8R0.1 CCCNC(=O)NNC 512a_100020643023_100016993582 [0,1,0,0,0,0|3,0,0]=4 641 B8R0.1 CCCOC(=O)CNC 2230a_106832991635_200011215008 [0,1,0,0,0,0|2,0,0]=3 642 B8R0.1 CCCOC(=O)CNC 34a_100102657272_200011215008 [0,1,0,0,0,0|2,0,0]=3 643 B8R0.1 CCCOC(=O)CNC 7a_106832991635_200011215008 [0,1,0,0,0,0|2,0,0]=3 644 B8R0.1 CCCOC(=O)COC 34a_100138415774_200011215008 [0,1,0,0,0,0|2,0,0]=3 645 B8R0.1 CCCOC(=O)CSC 62a_200000210301_200011215008 [0,1,0,0,0,0|2,0,0]=3 646 B8R0.1 CCCOC(=O)CSC 62a_200011215008_200000210301 [0,1,0,0,0,0|2,0,0]=3 647 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200011215008_200025704644 [0,1,0,0,0,0|2,0,0]=3 648 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200025704644_200011215008 [0,1,0,0,0,0|2,0,0]=3 649 B8R0.1 CCCOC(C)CCBr 34a_100012276601_100000210303 [0,1,0,0,0,0|2,0,1]=4 650 B8R0.1 CCCOC(C)CCC 34a_100000210258_100000766640 [0,1,0,0,0,0|2,0,1]=4 651 B8R0.1 CCCOC(C)CCC 34a_100000764384_100000210303 [0,1,0,0,0,0|2,0,1]=4 652 B8R0.1 CCCOC(C)CCC 7a_100000764384_100000210303 [0,1,0,0,0,0|2,0,1]=4 653 B8R0.1 CCCOC(C)CCO 34a_100000210258_100009893172 [0,1,0,0,0,0|1,1,1]=4 654 B8R0.1 CCC[C@H](N)COCC 34a_100000732646_100000210202 [0,1,0,0,0,0|2,0,1]=4 655 B8R0.1 CCNC(=O)CCC#N 11a_100015525214_100011934036 [0,1,0,0,0,0|2,0,0]=3 656 B8R0.1 CCNC(=O)CCC#N 240690a_100015525214_100011934036 [0,1,0,0,0,0|2,0,0]=3 657 B8R0.1 CCNC(=O)CCC#N 527a_100015525214_100011934036 [0,1,0,0,0,0|2,0,0]=3 658 B8R0.1 CCNC(=O)CCNC 2230a_106832991635_100000737597 [0,1,0,0,0,0|2,0,0]=3 659 B8R0.1 CCNC(=O)CCNC 34a_100025743525_200000210301 [0,1,0,0,0,0|2,0,0]=3 660 B8R0.1 CCNC(=O)CCNC 7a_106832991635_100000737597 [0,1,0,0,0,0|2,0,0]=3 661 B8R0.1 CCNC(=O)CCN[13CH3] 34a_100025743525_200025704644 [0,1,0,0,0,0|2,0,0]=3 662 B8R0.1 CCNC(=O)CCOC 11a_100015525214_100000749529 [0,1,0,0,0,0|1,1,0]=3 663 B8R0.1 CCNC(=O)CCOC 240690a_100015525214_100000749529 [0,1,0,0,0,0|1,1,0]=3 664 B8R0.1 CCNC(=O)CCOC 527a_100015525214_100000749529 [0,1,0,0,0,0|1,1,0]=3 665 B8R0.1 CCNC(=O)CCSC 11a_100015525214_100000174002 [0,1,0,0,0,0|1,0,0]=2 666 B8R0.1 CCNC(=O)CCSC 240690a_100015525214_100000174002 [0,1,0,0,0,0|1,0,0]=2 667 B8R0.1 CCNC(=O)CCSC 527a_100015525214_100000174002 [0,1,0,0,0,0|1,0,0]=2 668 B8R0.1 CCNC(=O)CCSC 62a_100000737597_200000210301 [0,1,0,0,0,0|1,0,0]=2 669 B8R0.1 CCNC(=O)CCSC 62a_200000210301_100000737597 [0,1,0,0,0,0|1,0,0]=2 670 B8R0.1 CCNC(=O)CCS[13CH3] 62a_100000737597_200025704644 [0,1,0,0,0,0|1,0,0]=2 671 B8R0.1 CCNC(=O)CCS[13CH3] 62a_200025704644_100000737597 [0,1,0,0,0,0|1,0,0]=2 672 B8R0.1 CCNC(=O)CN=[N+]=[N-] 11a_100015525214_100000751907 [0,1,0,0,0,0|3,0,0]=4 673 B8R0.1 CCNC(=O)CN=[N+]=[N-] 240690a_100015525214_100000751907 [0,1,0,0,0,0|3,0,0]=4 674 B8R0.1 CCNC(=O)COCC 11a_100015525214_100000211967 [0,1,0,0,0,0|2,0,0]=3 675 B8R0.1 CCNC(=O)COCC 240690a_100015525214_100000211967 [0,1,0,0,0,0|2,0,0]=3 676 B8R0.1 CCNC(=O)COCC 34a_100121572206_100000183381 [0,1,0,0,0,0|2,0,0]=3 677 B8R0.1 CCNC(=O)COCC 527a_100015525214_100000211967 [0,1,0,0,0,0|2,0,0]=3 678 B8R0.1 CCNC(=O)CSCC 11a_100015525214_100000230394 [0,1,0,0,0,0|2,0,0]=3 679 B8R0.1 CCNC(=O)CSCC 240690a_100015525214_100000230394 [0,1,0,0,0,0|2,0,0]=3 680 B8R0.1 CCNC(=O)CSCC 527a_100015525214_100000230394 [0,1,0,0,0,0|2,0,0]=3 681 B8R0.1 CCNC(=O)CSCC 62a_100000183381_100000210202 [0,1,0,0,0,0|2,0,0]=3 682 B8R0.1 CCNC(=O)CSCC 62a_100000210202_100000183381 [0,1,0,0,0,0|2,0,0]=3 683 B8R0.1 CCNC(=O)CSCF 62a_100000183381_100015361967 [0,1,0,0,0,0|2,0,0]=3 684 B8R0.1 CCNC(=O)CSCF 62a_100015361967_100000183381 [0,1,0,0,0,0|2,0,0]=3 685 B8R0.1 CCNC(=O)NCC#N 2708a_100000734998_100015525214 [0,1,0,0,0,0|2,0,1]=4 686 B8R0.1 CCNC(=O)NCC#N 273464a_100000734998_100015525214 [0,1,0,0,0,0|2,0,1]=4 687 B8R0.1 CCNC(=O)NCC#N 273464a_100015525214_100000734998 [0,1,0,0,0,0|2,0,1]=4 688 B8R0.1 CCNC(=O)NCC#N 512a_100000734998_100015525214 [0,1,0,0,0,0|2,0,1]=4 689 B8R0.1 CCNC(=O)NCC#N 512a_100015525214_100000734998 [0,1,0,0,0,0|2,0,1]=4 690 B8R0.1 CCNC(=O)NCCF 2708a_100015525214_100000724931 [0,1,0,0,0,0|2,0,0]=3 691 B8R0.1 CCNC(=O)NCCF 273464a_100000724931_100015525214 [0,1,0,0,0,0|2,0,0]=3 692 B8R0.1 CCNC(=O)NCCF 273464a_100015525214_100000724931 [0,1,0,0,0,0|2,0,0]=3 693 B8R0.1 CCNC(=O)NCCF 512a_100015525214_100000724931 [0,1,0,0,0,0|2,0,0]=3 694 B8R0.1 CCNC(=O)NCCO 2708a_100015525214_100000210304 [0,1,0,0,0,0|1,1,0]=3 695 B8R0.1 CCNC(=O)NCCO 273464a_100000210304_100015525214 [0,1,0,0,0,0|1,1,0]=3 696 B8R0.1 CCNC(=O)NCCO 273464a_100015525214_100000210304 [0,1,0,0,0,0|1,1,0]=3 697 B8R0.1 CCNC(=O)NCCO 512a_100015525214_100000210304 [0,1,0,0,0,0|1,1,0]=3 698 B8R0.1 CCNC(C)CCSC 270004a_100015525214_100011217047 [0,1,0,0,0,0|2,0,1]=4 699 B8R0.1 CCNCC(=O)NCC 2230a_100015525214_100000183381 [0,1,0,0,0,0|2,0,0]=3 700 B8R0.1 CCNCC(=O)NCC 2230a_100016988866_100000210202 [0,1,0,0,0,0|2,0,0]=3 701 B8R0.1 CCNCC(=O)NCO 2230a_100015525214_100000185155 [0,1,0,0,0,0|2,1,0]=4 702 B8R0.1 CCNCC(=O)OCC 2230a_100015525214_100000188475 [0,1,0,0,0,0|1,0,0]=2 703 B8R0.1 CCNNC(=O)CC#N 22a_100000756455_100051588842 [0,1,0,0,0,0|2,0,1]=4 704 B8R0.1 CCNNC(=O)CCO 22a_100000756455_100011216618 [0,1,0,0,0,0|1,1,0]=3 705 B8R0.1 CCNNC(=O)COC 22a_100000756455_100000210968 [0,1,0,0,0,0|3,0,0]=4 706 B8R0.1 CCNNC(=O)CSC 22a_100000756455_100000184570 [0,1,0,0,0,0|3,0,0]=4 707 B8R0.1 CCNNC(=O)NCC 273464a_100015525214_100000756455 [0,1,0,0,0,0|3,0,0]=4 708 B8R0.1 CCNNC(=O)NCC 512a_100000756455_100015525214 [0,1,0,0,0,0|3,0,0]=4 709 B8R0.1 CCNNC(=O)NCC 512a_100015525214_100000756455 [0,1,0,0,0,0|3,0,0]=4 710 B8R0.1 CCOC(=O)CCNC 2230a_106832991635_100011206558 [0,1,0,0,0,0|1,0,0]=2 711 B8R0.1 CCOC(=O)CCNC 34a_100102657272_100000765890 [0,1,0,0,0,0|1,0,0]=2 712 B8R0.1 CCOC(=O)CCNC 7a_106832991635_100011206558 [0,1,0,0,0,0|1,0,0]=2 713 B8R0.1 CCOC(=O)CCOC 34a_100138415774_100000765890 [0,1,0,0,0,0|0,1,0]=2 714 B8R0.1 CCOC(=O)CCSC 62a_100000765890_200000210301 [0,1,0,0,0,0|0,0,0]=1 715 B8R0.1 CCOC(=O)CCSC 62a_200000210301_100000765890 [0,1,0,0,0,0|0,0,0]=1 716 B8R0.1 CCOC(=O)CCS[13CH3] 62a_100000765890_200025704644 [0,1,0,0,0,0|0,0,0]=1 717 B8R0.1 CCOC(=O)CCS[13CH3] 62a_200025704644_100000765890 [0,1,0,0,0,0|0,0,0]=1 718 B8R0.1 CCOC(=O)CSCC 62a_100000188475_100000210202 [0,1,0,0,0,0|1,0,0]=2 719 B8R0.1 CCOC(=O)CSCC 62a_100000210202_100000188475 [0,1,0,0,0,0|1,0,0]=2 720 B8R0.1 CCOC(=O)CSCF 62a_100000188475_100015361967 [0,1,0,0,0,0|1,0,0]=2 721 B8R0.1 CCOC(=O)CSCF 62a_100015361967_100000188475 [0,1,0,0,0,0|1,0,0]=2 722 B8R0.1 CCOC(=O)OCSC 62a_200000210301_100000075025 [0,1,0,0,0,0|1,0,0]=2 723 B8R0.1 CCOC(=O)OCS[13CH3] 62a_200025704644_100000075025 [0,1,0,0,0,0|1,0,0]=2 724 B8R0.1 CCOC(C)CCCCl 34a_200000718107_100000210202 [0,1,0,0,0,0|2,0,1]=4 725 B8R0.1 CCOC(C)CCCCl 7a_200000718107_100000210202 [0,1,0,0,0,0|2,0,1]=4 726 B8R0.1 CCOCC(=O)CC#N 1458a_100000211967_100011214920 [0,1,0,0,0,0|1,0,1]=3 727 B8R0.1 CCOCC(=O)CCF 1458a_100000211967_100011217306 [0,1,0,0,0,0|1,0,0]=2 728 B8R0.1 CCOCC(=O)CCO 1458a_100000211967_100000211926 [0,1,0,0,0,0|0,1,0]=2 729 B8R0.1 CCOCC(=O)NCO 34a_100121572206_100000185155 [0,1,0,0,0,0|1,1,0]=3 730 B8R0.1 CCOCC(=O)NNC 22a_100016993582_100000211967 [0,1,0,0,0,0|3,0,0]=4 731 B8R0.1 CCOCC(=O)OCC 34a_100121572206_100000188475 [0,1,0,0,0,0|1,0,0]=2 732 B8R0.1 CCOCC(C)CCN 34a_106354213184_100000210202 [0,1,0,0,0,0|2,0,1]=4 733 B8R0.1 CCOCC(C)OCC 34a_100000718985_100000210202 [0,1,0,0,0,0|2,0,1]=4 734 B8R0.1 CCOCC(C)OCC 7a_100000718985_100000210202 [0,1,0,0,0,0|2,0,1]=4 735 B8R0.1 CCOCN(C)CCO 269982a_100000210263_100000739092 [0,1,0,0,0,0|2,1,0]=4 736 B8R0.1 CCSCC(=O)CC#N 1458a_100000230394_100011214920 [0,1,0,0,0,0|1,1,1]=4 737 B8R0.1 CCSCC(=O)CCF 1458a_100000230394_100011217306 [0,1,0,0,0,0|1,1,0]=3 738 B8R0.1 CCSCC(=O)CCO 1458a_100000230394_100000211926 [0,1,0,0,0,0|0,2,0]=3 739 B8R0.1 CCSCC(=O)NCO 62a_100000185155_100000210202 [0,1,0,0,0,0|1,2,0]=4 740 B8R0.1 CCSCC(=O)NCO 62a_100000210202_100000185155 [0,1,0,0,0,0|1,2,0]=4 741 B8R0.1 CCSCC(=O)NNC 22a_100016993582_100000230394 [0,1,0,0,0,0|3,0,0]=4 742 B8R0.1 CNCC(=O)NCCF 2230a_100000725713_200000210301 [0,1,0,0,0,0|3,0,0]=4 743 B8R0.1 CNNC(=O)CCC#N 22a_100016993582_100011934036 [0,1,0,0,0,0|3,0,0]=4 744 B8R0.1 CNNC(=O)CCOC 22a_100016993582_100000749529 [0,1,0,0,0,0|2,1,0]=4 745 B8R0.1 CNNC(=O)CCSC 22a_100016993582_100000174002 [0,1,0,0,0,0|2,0,0]=3 746 B8R0.1 CNNC(=O)NCCF 273464a_100000724931_100016993582 [0,1,0,0,0,0|3,0,0]=4 747 B8R0.1 CNNC(=O)NCCF 512a_100016993582_100000724931 [0,1,0,0,0,0|3,0,0]=4 748 B8R0.1 CNNC(=O)NCCO 273464a_100000210304_100016993582 [0,1,0,0,0,0|2,1,0]=4 749 B8R0.1 CNNC(=O)NCCO 512a_100016993582_100000210304 [0,1,0,0,0,0|2,1,0]=4 750 B8R0.1 COC=CC(=O)CCF 1458a_100016268678_100011217306 [0,1,0,0,0,0|2,0,1]=4 751 B8R0.1 COC=CC(=O)CCO 1458a_100016268678_100000211926 [0,1,0,0,0,0|1,1,1]=4 752 B8R0.1 COCC(=O)CCC#N 1458a_100000210968_100011215226 [0,1,0,0,0,0|3,0,0]=4 753 B8R0.1 COCC(=O)CCCF 1458a_100000210968_100011934791 [0,1,0,0,0,0|3,0,0]=4 754 B8R0.1 COCC(=O)CCCO 1458a_100000210968_100011215043 [0,1,0,0,0,0|2,1,0]=4 755 B8R0.1 COCC(=O)CCSC 1458a_100000210968_100000751147 [0,1,0,0,0,0|2,0,0]=3 756 B8R0.1 COCC(=O)NCCF 11a_100000724931_100000210968 [0,1,0,0,0,0|3,0,0]=4 757 B8R0.1 COCC(=O)NCCF 1626a_100000724931_100000210968 [0,1,0,0,0,0|3,0,0]=4 758 B8R0.1 COCC(=O)NCCF 240690a_100000724931_100000210968 [0,1,0,0,0,0|3,0,0]=4 759 B8R0.1 COCC(=O)NCCF 527a_100000724931_100000210968 [0,1,0,0,0,0|3,0,0]=4 760 B8R0.1 COCC(=O)NCCO 240690a_100000210304_100000210968 [0,1,0,0,0,0|2,1,0]=4 761 B8R0.1 COCC(=O)NCCO 527a_100000210304_100000210968 [0,1,0,0,0,0|2,1,0]=4 762 B8R0.1 COCCC(=O)CC#N 1458a_100000749529_100011214920 [0,1,0,0,0,0|2,0,1]=4 763 B8R0.1 COCCC(=O)CC#N 1458a_100051588842_100000233755 [0,1,0,0,0,0|2,0,1]=4 764 B8R0.1 COCCC(=O)CCF 1458a_100000749529_100011217306 [0,1,0,0,0,0|2,0,0]=3 765 B8R0.1 COCCC(=O)CCO 1458a_100000749529_100000211926 [0,1,0,0,0,0|1,1,0]=3 766 B8R0.1 COCCC(=O)CCO 1458a_100011216618_100000233755 [0,1,0,0,0,0|1,1,0]=3 767 B8R0.1 COCCC(=O)COC 1458a_100000210968_100000233755 [0,1,0,0,0,0|2,1,0]=4 768 B8R0.1 COCCC(=O)CSC 1458a_100000184570_100000233755 [0,1,0,0,0,0|2,1,0]=4 769 B8R0.1 CSCC(=O)CCC#N 1458a_100000184570_100011215226 [0,1,0,0,0,0|3,0,0]=4 770 B8R0.1 CSCC(=O)CCCF 1458a_100000184570_100011934791 [0,1,0,0,0,0|3,0,0]=4 771 B8R0.1 CSCC(=O)CCCO 1458a_100000184570_100011215043 [0,1,0,0,0,0|2,1,0]=4 772 B8R0.1 CSCC(=O)NCCF 11a_100000724931_100000184570 [0,1,0,0,0,0|3,0,0]=4 773 B8R0.1 CSCC(=O)NCCF 1626a_100000724931_100000184570 [0,1,0,0,0,0|3,0,0]=4 774 B8R0.1 CSCC(=O)NCCF 240690a_100000724931_100000184570 [0,1,0,0,0,0|3,0,0]=4 775 B8R0.1 CSCC(=O)NCCF 527a_100000724931_100000184570 [0,1,0,0,0,0|3,0,0]=4 776 B8R0.1 CSCC(=O)NCCO 240690a_100000210304_100000184570 [0,1,0,0,0,0|2,1,0]=4 777 B8R0.1 CSCC(=O)NCCO 527a_100000210304_100000184570 [0,1,0,0,0,0|2,1,0]=4 778 B8R0.1 CSCCC(=O)C=CBr 1458a_100016273825_100000751147 [0,1,0,0,0,0|2,0,1]=4 779 B8R0.1 CSCCC(=O)C=CCl 1458a_200016279998_100000751147 [0,1,0,0,0,0|2,0,1]=4 780 B8R0.1 CSCCC(=O)C=CI 1458a_100016256311_100000751147 [0,1,0,0,0,0|2,0,1]=4 781 B8R0.1 CSCCC(=O)CC#N 1458a_100000174002_100011214920 [0,1,0,0,0,0|2,0,1]=4 782 B8R0.1 CSCCC(=O)CC#N 1458a_100051588842_100000751147 [0,1,0,0,0,0|2,0,1]=4 783 B8R0.1 CSCCC(=O)CCF 1458a_100000174002_100011217306 [0,1,0,0,0,0|2,0,0]=3 784 B8R0.1 CSCCC(=O)CCO 1458a_100000174002_100000211926 [0,1,0,0,0,0|1,1,0]=3 785 B8R0.1 CSCCC(=O)CCO 1458a_100011216618_100000751147 [0,1,0,0,0,0|1,1,0]=3 786 B8R0.1 CSCCC(=O)CSC 1458a_100000184570_100000751147 [0,1,0,0,0,0|2,0,0]=3 787 B8R0.1 CSCOC(C)CCBr 34a_100012276601_100011218213 [0,1,0,0,0,0|2,0,1]=4 788 B8R0.1 N#CCC(=O)CCCF 1458a_100051588842_100011934791 [0,1,0,0,0,0|2,0,1]=4 789 B8R0.1 N#CCC(=O)CCCO 1458a_100051588842_100011215043 [0,1,0,0,0,0|2,0,1]=4 790 B8R0.1 N#CCC(=O)NCCF 1626a_100000724931_100051588842 [0,1,0,0,0,0|2,0,1]=4 791 B8R0.1 N#CCC(=O)NCCF 240690a_100000724931_100051588842 [0,1,0,0,0,0|2,0,1]=4 792 B8R0.1 N#CCC(=O)NCCO 240690a_100000210304_100051588842 [0,1,0,0,0,0|2,0,1]=4 793 B8R0.1 N#CCCC(=O)CCF 1458a_100011934036_100011217306 [0,1,0,0,0,0|2,0,1]=4 794 B8R0.1 N#CCCC(=O)CCO 1458a_100011216618_100011215226 [0,1,0,0,0,0|1,1,1]=4 795 B8R0.1 N#CCCC(=O)CCO 1458a_100011934036_100000211926 [0,1,0,0,0,0|1,1,1]=4 796 B8R0.1 O=C(C#CCO)CCF 1458a_100000049017_100011217306 [0,1,0,0,0,0|2,0,1]=4 797 B8R0.1 O=C(C#CCO)CCO 1458a_100000049017_100000211926 [0,1,0,0,0,0|1,1,1]=4 798 B8R0.1 O=C(CCO)CCCF 1458a_100011216618_100011934791 [0,1,0,0,0,0|1,1,0]=3 799 B8R0.1 O=C(CCO)CCCO 1458a_100011216618_100011215043 [0,1,0,0,0,0|1,1,0]=3 800 B8R0.1 O=C(CCO)NCCF 240690a_100000724931_100011216618 [0,1,0,0,0,0|1,1,0]=3 801 B8R0.1 O=C(CCO)NCCO 240690a_100000210304_100011216618 [0,1,0,0,0,0|1,1,0]=3 802 B8R0.1 O=C(CSCF)NCO 62a_100000185155_100015361967 [0,1,0,0,0,0|3,0,0]=4 803 B8R0.1 O=C(CSCF)NCO 62a_100015361967_100000185155 [0,1,0,0,0,0|3,0,0]=4 804 B8R0.1 [13CH3]NCC(=O)NCCF 2230a_100000725713_200025704644 [0,1,0,0,0,0|3,0,0]=4 805 B8R0.3 C#CC(C)C(=O)CCC 1458a_100000211992_200000035995 [0,1,0,0,0,0|2,0,1]=4 806 B8R0.3 C#CCC(=O)C(C)CC 1458a_100011192722_100000184674 [0,1,0,0,0,0|2,0,1]=4 807 B8R0.3 C#CCC(=O)C(C)CC 1458a_100011220946_100000758301 [0,1,0,0,0,0|2,0,1]=4 808 B8R0.3 C#CCC(=O)C(O)CC 1458a_100011196387_100000184674 [0,1,0,0,0,0|2,0,1]=4 809 B8R0.3 C#CCC(=O)N(C)CC 1626a_100000225621_100011220946 [0,1,0,0,0,0|2,0,1]=4 810 B8R0.3 C#CCC(=O)N(C)CC 527a_100000225621_100011220946 [0,1,0,0,0,0|2,0,1]=4 811 B8R0.3 C/C=C(\C)/C(=O)CCC 1458a_100020587367_100000210303 [0,1,0,0,0,0|2,0,1]=4 812 B8R0.3 C/C=C(\C)/C(=O)CCF 1458a_100020587367_100011217306 [0,1,0,0,0,0|2,0,1]=4 813 B8R0.3 C/C=C(\C)/C(=O)CCO 1458a_100020587367_100000211926 [0,1,0,0,0,0|1,1,1]=4 814 B8R0.3 C=CC(C)C(=O)CCC 1458a_100011216780_100000210303 [0,1,0,0,0,0|2,0,1]=4 815 B8R0.3 C=CC(C)C(=O)NCC 11a_100015525214_100011216780 [0,1,0,0,0,0|2,0,1]=4 816 B8R0.3 C=CC(C)C(=O)NCC 240690a_100015525214_100011216780 [0,1,0,0,0,0|2,0,1]=4 817 B8R0.3 C=CC(C)C(=O)NCC 527a_100015525214_100011216780 [0,1,0,0,0,0|2,0,1]=4 818 B8R0.3 C=CCC(=O)C(C)CC 1458a_100000210193_100000758301 [0,1,0,0,0,0|2,0,1]=4 819 B8R0.3 C=CCC(=O)C(C)CC 1458a_100011192722_100000210623 [0,1,0,0,0,0|2,0,1]=4 820 B8R0.3 C=CCC(=O)C(O)CC 1458a_100011196387_100000210623 [0,1,0,0,0,0|2,0,1]=4 821 B8R0.3 C=CCC(=O)N(C)CC 11a_100000225621_100000210193 [0,1,0,0,0,0|2,0,1]=4 822 B8R0.3 C=CCC(=O)N(C)CC 1626a_100000225621_100000210193 [0,1,0,0,0,0|2,0,1]=4 823 B8R0.3 C=CCC(=O)N(C)CC 240690a_100000225621_100000210193 [0,1,0,0,0,0|2,0,1]=4 824 B8R0.3 C=CCC(=O)N(C)CC 527a_100000225621_100000210193 [0,1,0,0,0,0|2,0,1]=4 825 B8R0.3 CC#CC(=O)C(C)CC 1458a_100000763181_100000758301 [0,1,0,0,0,0|2,0,1]=4 826 B8R0.3 CC=CC(=O)C(C)CC 1458a_100000210699_100000758301 [0,1,0,0,0,0|2,0,1]=4 827 B8R0.3 CCC(C)C(=O)CC#N 1458a_100011192722_100011214920 [0,1,0,0,0,0|2,0,1]=4 828 B8R0.3 CCC(C)C(=O)CC#N 1458a_100051588842_100000758301 [0,1,0,0,0,0|2,0,1]=4 829 B8R0.3 CCC(C)C(=O)CCF 1458a_100011192722_100011217306 [0,1,0,0,0,0|2,0,0]=3 830 B8R0.3 CCC(C)C(=O)CCO 1458a_100011192722_100000211926 [0,1,0,0,0,0|1,1,0]=3 831 B8R0.3 CCC(C)C(=O)CCO 1458a_100011216618_100000758301 [0,1,0,0,0,0|1,1,0]=3 832 B8R0.3 CCC(C)C(=O)COC 1458a_100000210968_100000758301 [0,1,0,0,0,0|3,0,0]=4 833 B8R0.3 CCC(C)C(=O)CSC 1458a_100000184570_100000758301 [0,1,0,0,0,0|3,0,0]=4 834 B8R0.3 CCC(C)C(=O)NNC 22a_100016993582_100011192722 [0,1,0,0,0,0|3,0,0]=4 835 B8R0.3 CCC(O)C(=O)CC#N 1458a_100011196387_100011214920 [0,1,0,0,0,0|2,0,1]=4 836 B8R0.3 CCC(O)C(=O)CCF 1458a_100011196387_100011217306 [0,1,0,0,0,0|2,0,0]=3 837 B8R0.3 CCC(O)C(=O)CCO 1458a_100011196387_100000211926 [0,1,0,0,0,0|1,1,0]=3 838 B8R0.3 CCC(O)C(=O)NNC 22a_100016993582_100011196387 [0,1,0,0,0,0|3,0,0]=4 839 B8R0.3 CCCC(=O)C(=O)NC 1458a_100011218921_100000210303 [0,1,0,0,0,0|3,0,0]=4 840 B8R0.3 CCCC(=O)C(C)C#N 1458a_100000211992_100000703298 [0,1,0,0,0,0|2,0,1]=4 841 B8R0.3 CCCC(=O)C(C)C#N 1458a_100000753662_100000210303 [0,1,0,0,0,0|2,0,1]=4 842 B8R0.3 CCCC(=O)C(C)CC 1458a_100000211992_100000758301 [0,1,0,0,0,0|2,0,0]=3 843 B8R0.3 CCCC(=O)C(C)CC 1458a_100011192722_100000210303 [0,1,0,0,0,0|2,0,0]=3 844 B8R0.3 CCCC(=O)C(C)OC 1458a_100000743197_100000210303 [0,1,0,0,0,0|3,0,0]=4 845 B8R0.3 CCCC(=O)C(C)SC 1458a_100000149566_100000210303 [0,1,0,0,0,0|3,0,0]=4 846 B8R0.3 CCCC(=O)C(O)CC 1458a_100011196387_100000210303 [0,1,0,0,0,0|2,0,0]=3 847 B8R0.3 CCCC(=O)C(O)CO 1458a_100011215603_100000210303 [0,1,0,0,0,0|1,1,0]=3 848 B8R0.3 CCCC(=O)N(C)CC 11a_100000225621_100000211992 [0,1,0,0,0,0|2,0,0]=3 849 B8R0.3 CCCC(=O)N(C)CC 1626a_100000225621_100000211992 [0,1,0,0,0,0|2,0,0]=3 850 B8R0.3 CCCC(=O)N(C)CC 240690a_100000225621_100000211992 [0,1,0,0,0,0|2,0,0]=3 851 B8R0.3 CCCC(=O)N(C)CC 527a_100000225621_100000211992 [0,1,0,0,0,0|2,0,0]=3 852 B8R0.3 CCN(C)C(=O)CC#N 1626a_100000225621_100051588842 [0,1,0,0,0,0|2,0,1]=4 853 B8R0.3 CCN(C)C(=O)CC#N 240690a_100000225621_100051588842 [0,1,0,0,0,0|2,0,1]=4 854 B8R0.3 CCN(C)C(=O)CCO 240690a_100000225621_100011216618 [0,1,0,0,0,0|1,1,0]=3 855 B8R0.3 CCN(C)C(=O)CNC 2230a_106832991635_100000738999 [0,1,0,0,0,0|3,0,0]=4 856 B8R0.3 CCN(C)C(=O)CNC 34a_100102657272_100000738999 [0,1,0,0,0,0|3,0,0]=4 857 B8R0.3 CCN(C)C(=O)CNC 7a_106832991635_100000738999 [0,1,0,0,0,0|3,0,0]=4 858 B8R0.3 CCN(C)C(=O)COC 11a_100000225621_100000210968 [0,1,0,0,0,0|3,0,0]=4 859 B8R0.3 CCN(C)C(=O)COC 1626a_100000225621_100000210968 [0,1,0,0,0,0|3,0,0]=4 860 B8R0.3 CCN(C)C(=O)COC 240690a_100000225621_100000210968 [0,1,0,0,0,0|3,0,0]=4 861 B8R0.3 CCN(C)C(=O)COC 34a_100138415774_100000738999 [0,1,0,0,0,0|3,0,0]=4 862 B8R0.3 CCN(C)C(=O)COC 527a_100000225621_100000210968 [0,1,0,0,0,0|3,0,0]=4 863 B8R0.3 CCN(C)C(=O)CSC 11a_100000225621_100000184570 [0,1,0,0,0,0|3,0,0]=4 864 B8R0.3 CCN(C)C(=O)CSC 1626a_100000225621_100000184570 [0,1,0,0,0,0|3,0,0]=4 865 B8R0.3 CCN(C)C(=O)CSC 240690a_100000225621_100000184570 [0,1,0,0,0,0|3,0,0]=4 866 B8R0.3 CCN(C)C(=O)CSC 527a_100000225621_100000184570 [0,1,0,0,0,0|3,0,0]=4 867 B8R0.3 CCN(C)C(=O)CSC 62a_100000738999_200000210301 [0,1,0,0,0,0|3,0,0]=4 868 B8R0.3 CCN(C)C(=O)CSC 62a_200000210301_100000738999 [0,1,0,0,0,0|3,0,0]=4 869 B8R0.3 CCN(C)C(=O)CS[13CH3] 62a_100000738999_200025704644 [0,1,0,0,0,0|3,0,0]=4 870 B8R0.3 CCN(C)C(=O)CS[13CH3] 62a_200025704644_100000738999 [0,1,0,0,0,0|3,0,0]=4 871 B8R0.3 CCNC(=O)C(=O)CC 1458a_200011297158_100000210202 [0,1,0,0,0,0|2,0,1]=4 872 B8R0.3 CCNC(=O)C(=O)CF 1458a_200011297158_100015361967 [0,1,0,0,0,0|2,0,1]=4 873 B8R0.3 CCNC(=O)C(C)C#N 11a_100015525214_100000753662 [0,1,0,0,0,0|2,0,1]=4 874 B8R0.3 CCNC(=O)C(C)C#N 240690a_100015525214_100000753662 [0,1,0,0,0,0|2,0,1]=4 875 B8R0.3 CCNC(=O)C(C)C#N 527a_100015525214_100000753662 [0,1,0,0,0,0|2,0,1]=4 876 B8R0.3 CCNC(=O)C(C)CC 11a_100015525214_100011192722 [0,1,0,0,0,0|2,0,0]=3 877 B8R0.3 CCNC(=O)C(C)CC 240690a_100015525214_100011192722 [0,1,0,0,0,0|2,0,0]=3 878 B8R0.3 CCNC(=O)C(C)CC 527a_100015525214_100011192722 [0,1,0,0,0,0|2,0,0]=3 879 B8R0.3 CCNC(=O)C(C)NC 2230a_100000736553_200000210301 [0,1,0,0,0,0|3,0,0]=4 880 B8R0.3 CCNC(=O)C(C)NC 2230a_106832991635_100000230173 [0,1,0,0,0,0|3,0,0]=4 881 B8R0.3 CCNC(=O)C(C)NC 34a_100000736553_200000210301 [0,1,0,0,0,0|3,0,0]=4 882 B8R0.3 CCNC(=O)C(C)NC 34a_100102657272_100000230173 [0,1,0,0,0,0|3,0,0]=4 883 B8R0.3 CCNC(=O)C(C)NC 7a_106832991635_100000230173 [0,1,0,0,0,0|3,0,0]=4 884 B8R0.3 CCNC(=O)C(C)N[13CH3] 2230a_100000736553_200025704644 [0,1,0,0,0,0|3,0,0]=4 885 B8R0.3 CCNC(=O)C(C)N[13CH3] 34a_100000736553_200025704644 [0,1,0,0,0,0|3,0,0]=4 886 B8R0.3 CCNC(=O)C(C)OC 11a_100015525214_100000743197 [0,1,0,0,0,0|3,0,0]=4 887 B8R0.3 CCNC(=O)C(C)OC 240690a_100015525214_100000743197 [0,1,0,0,0,0|3,0,0]=4 888 B8R0.3 CCNC(=O)C(C)OC 34a_100138415774_100000230173 [0,1,0,0,0,0|3,0,0]=4 889 B8R0.3 CCNC(=O)C(C)OC 527a_100015525214_100000743197 [0,1,0,0,0,0|3,0,0]=4 890 B8R0.3 CCNC(=O)C(C)SC 11a_100015525214_100000149566 [0,1,0,0,0,0|3,0,0]=4 891 B8R0.3 CCNC(=O)C(C)SC 240690a_100015525214_100000149566 [0,1,0,0,0,0|3,0,0]=4 892 B8R0.3 CCNC(=O)C(C)SC 527a_100015525214_100000149566 [0,1,0,0,0,0|3,0,0]=4 893 B8R0.3 CCNC(=O)C(C)SC 62a_100000230173_200000210301 [0,1,0,0,0,0|3,0,0]=4 894 B8R0.3 CCNC(=O)C(C)SC 62a_200000210301_100000230173 [0,1,0,0,0,0|3,0,0]=4 895 B8R0.3 CCNC(=O)C(C)S[13CH3] 62a_100000230173_200025704644 [0,1,0,0,0,0|3,0,0]=4 896 B8R0.3 CCNC(=O)C(C)S[13CH3] 62a_200025704644_100000230173 [0,1,0,0,0,0|3,0,0]=4 897 B8R0.3 CCNC(=O)C(O)CC 240690a_100015525214_100011196387 [0,1,0,0,0,0|2,0,0]=3 898 B8R0.3 CCNC(=O)C(O)CO 240690a_100015525214_100011215603 [0,1,0,0,0,0|1,1,0]=3 899 B8R0.3 CCNC(=O)N(C)CC 2708a_100015525214_100000225621 [0,1,0,0,0,0|3,0,0]=4 900 B8R0.3 CCNC(=O)N(C)CC 273464a_100015525214_100000225621 [0,1,0,0,0,0|3,0,0]=4 901 B8R0.3 CCOC(=O)C(=O)NC 11a_106832991635_100014798877 [0,1,0,0,0,0|2,0,1]=4 902 B8R0.3 CCOC(=O)C(=O)NC 1626a_100102657272_100014798877 [0,1,0,0,0,0|2,0,1]=4 903 B8R0.3 CCOC(=O)C(=O)NC 240690a_100102657272_100014798877 [0,1,0,0,0,0|2,0,1]=4 904 B8R0.3 CCOC(=O)C(C)NC 2230a_106832991635_100011215307 [0,1,0,0,0,0|2,0,0]=3 905 B8R0.3 CCOC(=O)C(C)NC 34a_100102657272_100011216346 [0,1,0,0,0,0|2,0,0]=3 906 B8R0.3 CCOC(=O)C(C)NC 7a_106832991635_100011216346 [0,1,0,0,0,0|2,0,0]=3 907 B8R0.3 CCOC(=O)C(C)OC 34a_100138415774_100011216346 [0,1,0,0,0,0|2,0,0]=3 908 B8R0.3 CCOC(=O)C(C)SC 62a_100011216346_200000210301 [0,1,0,0,0,0|2,0,0]=3 909 B8R0.3 CCOC(=O)C(C)SC 62a_200000210301_100011216346 [0,1,0,0,0,0|2,0,0]=3 910 B8R0.3 CCOC(=O)C(C)S[13CH3] 62a_100011216346_200025704644 [0,1,0,0,0,0|2,0,0]=3 911 B8R0.3 CCOC(=O)C(C)S[13CH3] 62a_200025704644_100011216346 [0,1,0,0,0,0|2,0,0]=3 912 B8R0.3 CCOC(=O)C(F)NC 2230a_106832991635_100000760018 [0,1,0,0,0,0|2,0,0]=3 913 B8R0.3 CCOC(=O)C(F)NC 34a_100102657272_100000760018 [0,1,0,0,0,0|2,0,0]=3 914 B8R0.3 CCOC(=O)C(F)NC 7a_106832991635_100000040065 [0,1,0,0,0,0|2,0,0]=3 915 B8R0.3 CCOC(=O)C(F)OC 34a_100138415774_100000760018 [0,1,0,0,0,0|2,0,0]=3 916 B8R0.3 CCOC(=O)C(F)SC 62a_100000760018_200000210301 [0,1,0,0,0,0|2,0,0]=3 917 B8R0.3 CCOC(=O)C(F)SC 62a_200000210301_100000760018 [0,1,0,0,0,0|2,0,0]=3 918 B8R0.3 CCOC(=O)C(F)S[13CH3] 62a_100000760018_200025704644 [0,1,0,0,0,0|2,0,0]=3 919 B8R0.3 CCOC(=O)C(F)S[13CH3] 62a_200025704644_100000760018 [0,1,0,0,0,0|2,0,0]=3 920 B8R0.3 CCOC(=O)[C@H](C)OC 7a_100000751109_200000210301 [0,1,0,0,0,0|2,0,0]=3 921 B8R0.3 CCOC(=O)[C@H](C)O[13CH3] 7a_100000751109_200025704644 [0,1,0,0,0,0|2,0,0]=3 922 B8R0.3 CCOC(C)C(C)CC 7a_100011215189_100000210202 [0,1,0,0,0,0|2,0,1]=4 923 B8R0.3 CCSC(=O)[C@H](C)NC 2230a_100103168634_200000210301 [0,1,0,0,0,0|2,1,0]=4 924 B8R0.3 CCSC(=O)[C@H](C)N[13CH3] 2230a_100103168634_200025704644 [0,1,0,0,0,0|2,1,0]=4 925 B8R0.3 CNC(=O)C(=O)CCF 1458a_100011218921_100011217306 [0,1,0,0,0,0|3,0,0]=4 926 B8R0.3 CNC(=O)C(=O)CCO 1458a_100011218921_100000211926 [0,1,0,0,0,0|2,1,0]=4 927 B8R0.3 CNNC(=O)C(O)CO 22a_100016993582_100011215603 [0,1,0,0,0,0|2,1,0]=4 928 B8R0.3 COC(C)C(=O)CCF 1458a_100000743197_100011217306 [0,1,0,0,0,0|3,0,0]=4 929 B8R0.3 COC(C)C(=O)CCO 1458a_100000743197_100000211926 [0,1,0,0,0,0|2,1,0]=4 930 B8R0.3 CSC(C)C(=O)CCF 1458a_100000149566_100011217306 [0,1,0,0,0,0|3,0,0]=4 931 B8R0.3 CSC(C)C(=O)CCO 1458a_100000149566_100000211926 [0,1,0,0,0,0|2,1,0]=4 932 B8R0.3 O=C(CCF)C(O)CO 1458a_100011215603_100011217306 [0,1,0,0,0,0|2,1,0]=4 933 B8R0.3 O=C(CCO)C(O)CO 1458a_100011215603_100000211926 [0,1,0,0,0,0|2,1,0]=4 934 B8R0.5 C#CCC(=O)CC(C)C 1458a_100000210554_100000184674 [0,1,0,0,0,0|2,0,1]=4 935 B8R0.5 C#CCC(=O)CC(C)C 1458a_100011220946_100000210624 [0,1,0,0,0,0|2,0,1]=4 936 B8R0.5 C#CCC(=O)CC(C)O 1458a_100011220946_100011218427 [0,1,0,0,0,0|2,0,1]=4 937 B8R0.5 C#CCC(=O)C[C@@H](C)O 1458a_100011933948_100000184674 [0,1,0,0,0,0|2,0,1]=4 938 B8R0.5 C#CCC(=O)NC(C)C 1626a_100138425928_100011220946 [0,1,0,0,0,0|2,0,1]=4 939 B8R0.5 C#CCC(=O)NC(C)C 527a_100138425928_100011220946 [0,1,0,0,0,0|2,0,1]=4 940 B8R0.5 C=C(C)CC(=O)CCC 1458a_100000211992_100000748629 [0,1,0,0,0,0|2,0,1]=4 941 B8R0.5 C=C(C)CC(=O)CCO 1458a_100011216618_100000748629 [0,1,0,0,0,0|1,1,1]=4 942 B8R0.5 C=C(F)CC(=O)CCC 1458a_100000211992_100009893438 [0,1,0,0,0,0|2,0,1]=4 943 B8R0.5 C=CCC(=O)CC(C)C 1458a_100000210193_100000210624 [0,1,0,0,0,0|2,0,1]=4 944 B8R0.5 C=CCC(=O)CC(C)C 1458a_100000210554_100000210623 [0,1,0,0,0,0|2,0,1]=4 945 B8R0.5 C=CCC(=O)CC(C)O 1458a_100000210193_100011218427 [0,1,0,0,0,0|2,0,1]=4 946 B8R0.5 C=CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210623 [0,1,0,0,0,0|2,0,1]=4 947 B8R0.5 C=CCC(=O)NC(C)C 11a_100138425928_100000210193 [0,1,0,0,0,0|2,0,1]=4 948 B8R0.5 C=CCC(=O)NC(C)C 1626a_100138425928_100000210193 [0,1,0,0,0,0|2,0,1]=4 949 B8R0.5 C=CCC(=O)NC(C)C 240690a_100138425928_100000210193 [0,1,0,0,0,0|2,0,1]=4 950 B8R0.5 C=CCC(=O)NC(C)C 527a_100138425928_100000210193 [0,1,0,0,0,0|2,0,1]=4 951 B8R0.5 CC#CC(=O)CC(C)C 1458a_100000763181_100000210624 [0,1,0,0,0,0|2,0,1]=4 952 B8R0.5 CC#CC(=O)CC(C)O 1458a_100000763181_100011218427 [0,1,0,0,0,0|1,1,1]=4 953 B8R0.5 CC#CC(=O)CC(F)F 1458a_100000763181_100011934356 [0,1,0,0,0,0|2,0,1]=4 954 B8R0.5 CC(=CC(=O)CCF)C 1458a_100000211388_100011217306 [0,1,0,0,0,0|2,0,1]=4 955 B8R0.5 CC(=CC(=O)CCF)Cl 1458a_200042562850_100011217306 [0,1,0,0,0,0|2,0,1]=4 956 B8R0.5 CC(=CC(=O)CCF)I 1458a_100025716642_100011217306 [0,1,0,0,0,0|2,0,1]=4 957 B8R0.5 CC(=CC(=O)CCO)C 1458a_100000211388_100000211926 [0,1,0,0,0,0|1,1,1]=4 958 B8R0.5 CC(=CC(=O)CCO)Cl 1458a_200042562850_100000211926 [0,1,0,0,0,0|1,1,1]=4 959 B8R0.5 CC(=CC(=O)CCO)I 1458a_100025716642_100000211926 [0,1,0,0,0,0|1,1,1]=4 960 B8R0.5 CC(C)CC(=O)CC#N 1458a_100000210554_100011214920 [0,1,0,0,0,0|2,0,1]=4 961 B8R0.5 CC(C)CC(=O)CC#N 1458a_100051588842_100000210624 [0,1,0,0,0,0|2,0,1]=4 962 B8R0.5 CC(C)CC(=O)CCF 1458a_100000210554_100011217306 [0,1,0,0,0,0|2,0,0]=3 963 B8R0.5 CC(C)CC(=O)CCO 1458a_100000210554_100000211926 [0,1,0,0,0,0|1,1,0]=3 964 B8R0.5 CC(C)CC(=O)CCO 1458a_100011216618_100000210624 [0,1,0,0,0,0|1,1,0]=3 965 B8R0.5 CC(C)NC(=O)CC#N 1626a_100138425928_100051588842 [0,1,0,0,0,0|2,0,1]=4 966 B8R0.5 CC(C)NC(=O)CC#N 240690a_100138425928_100051588842 [0,1,0,0,0,0|2,0,1]=4 967 B8R0.5 CC(C)NC(=O)CCO 240690a_100138425928_100011216618 [0,1,0,0,0,0|1,1,0]=3 968 B8R0.5 CC(C)NC(=O)CN[13CH3] 2230a_100000168517_200025704644 [0,1,0,0,0,0|3,0,0]=4 969 B8R0.5 CC(C)NC(=O)CS[13CH3] 62a_100000183996_200025704644 [0,1,0,0,0,0|3,0,0]=4 970 B8R0.5 CC(C)NC(=O)CS[13CH3] 62a_200025704644_100000183996 [0,1,0,0,0,0|3,0,0]=4 971 B8R0.5 CC(C)OC(=O)CS[13CH3] 62a_100011215430_200025704644 [0,1,0,0,0,0|2,0,0]=3 972 B8R0.5 CC(C)OC(=O)CS[13CH3] 62a_200025704644_100011215430 [0,1,0,0,0,0|2,0,0]=3 973 B8R0.5 CC(C)OC(C)CCBr 34a_100012276601_100000210206 [0,1,0,0,0,0|2,0,1]=4 974 B8R0.5 CC(C)OC(C)CCO 34a_100000212225_100009893172 [0,1,0,0,0,0|1,1,1]=4 975 B8R0.5 CC(O)CC(=O)CC#N 1458a_100051588842_100011218427 [0,1,0,0,0,0|2,0,1]=4 976 B8R0.5 CC(O)CC(=O)CCO 1458a_100011216618_100011218427 [0,1,0,0,0,0|1,1,0]=3 977 B8R0.5 CC=CC(=O)CC(C)C 1458a_100000210699_100000210624 [0,1,0,0,0,0|2,0,1]=4 978 B8R0.5 CC=CC(=O)CC(C)O 1458a_100000210699_100011218427 [0,1,0,0,0,0|1,1,1]=4 979 B8R0.5 CC=CC(=O)CC(F)F 1458a_100000210699_100011934356 [0,1,0,0,0,0|2,0,1]=4 980 B8R0.5 CCCC(=O)C=C(C)C 1458a_100000211388_100000210303 [0,1,0,0,0,0|2,0,1]=4 981 B8R0.5 CCCC(=O)C=C(C)Cl 1458a_200042562850_100000210303 [0,1,0,0,0,0|2,0,1]=4 982 B8R0.5 CCCC(=O)C=C(C)I 1458a_100025716642_100000210303 [0,1,0,0,0,0|2,0,1]=4 983 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [0,1,0,0,0,0|1,1,1]=4 984 B8R0.5 CCCC(=O)CC(=O)N 1458a_100000211992_100000187820 [0,1,0,0,0,0|1,1,1]=4 985 B8R0.5 CCCC(=O)CC(=O)N 1458a_100134613110_100000210303 [0,1,0,0,0,0|1,1,1]=4 986 B8R0.5 CCCC(=O)CC(=O)[O-] 1458a_100000211992_100020667443 [0,1,0,0,0,0|1,1,1]=4 987 B8R0.5 CCCC(=O)CC(C)C 1458a_100000210554_100000210303 [0,1,0,0,0,0|2,0,0]=3 988 B8R0.5 CCCC(=O)CC(C)C 1458a_100000211992_100000210624 [0,1,0,0,0,0|2,0,0]=3 989 B8R0.5 CCCC(=O)CC(C)O 1458a_100000211992_100011218427 [0,1,0,0,0,0|1,1,0]=3 990 B8R0.5 CCCC(=O)CC(F)F 1458a_100000211992_100011934356 [0,1,0,0,0,0|2,0,0]=3 991 B8R0.5 CCCC(=O)CN(C)C 1458a_100000750896_100000210303 [0,1,0,0,0,0|3,0,0]=4 992 B8R0.5 CCCC(=O)CN(C)C 2230a_100102631434_100000747444 [0,1,0,0,0,0|3,0,0]=4 993 B8R0.5 CCCC(=O)CN(C)C 269982a_100102631434_100000747444 [0,1,0,0,0,0|3,0,0]=4 994 B8R0.5 CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210303 [0,1,0,0,0,0|1,1,0]=3 995 B8R0.5 CCCC(=O)C[N+](=O)[O-] 1458a_100000211992_100000761209 [0,1,0,0,0,0|2,1,0]=4 996 B8R0.5 CCCC(=O)C[S+](C)C 1458a_200159257847_100000210303 [0,1,0,0,0,0|3,0,0]=4 997 B8R0.5 CCCC(=O)NC(C)C 11a_100138425928_100000211992 [0,1,0,0,0,0|2,0,0]=3 998 B8R0.5 CCCC(=O)NC(C)C 1626a_100138425928_100000211992 [0,1,0,0,0,0|2,0,0]=3 999 B8R0.5 CCCC(=O)NC(C)C 240690a_100138425928_100000211992 [0,1,0,0,0,0|2,0,0]=3 1000 B8R0.5 CCCC(=O)NC(C)C 527a_100138425928_100000211992 [0,1,0,0,0,0|2,0,0]=3 1001 B8R0.5 CCCC(C)OC(C)C 34a_100000212225_100000766640 [0,1,0,0,0,0|2,0,1]=4 1002 B8R0.5 CCCC(C)OC(C)C 34a_100000764384_100000210206 [0,1,0,0,0,0|2,0,1]=4 1003 B8R0.5 CCCC(C)OC(C)C 7a_100000764384_100000210206 [0,1,0,0,0,0|2,0,1]=4 1004 B8R0.5 CCNC(=O)CC(=O)C 1458a_100000070787_100000183381 [0,1,0,0,0,0|1,1,1]=4 1005 B8R0.5 CCNC(=O)CC(=O)N 240690a_100015525214_100134613110 [0,1,0,0,0,0|1,1,1]=4 1006 B8R0.5 CCNC(=O)CC(=O)N 527a_100015525214_100134613110 [0,1,0,0,0,0|1,1,1]=4 1007 B8R0.5 CCNC(=O)CC(C)C 11a_100015525214_100000210554 [0,1,0,0,0,0|2,0,0]=3 1008 B8R0.5 CCNC(=O)CC(C)C 240690a_100015525214_100000210554 [0,1,0,0,0,0|2,0,0]=3 1009 B8R0.5 CCNC(=O)CC(C)C 527a_100015525214_100000210554 [0,1,0,0,0,0|2,0,0]=3 1010 B8R0.5 CCNC(=O)CN(C)C 11a_100015525214_100000750896 [0,1,0,0,0,0|3,0,0]=4 1011 B8R0.5 CCNC(=O)CN(C)C 2230a_100000741943_200000210301 [0,1,0,0,0,0|3,0,0]=4 1012 B8R0.5 CCNC(=O)CN(C)C 2230a_100102631434_100000183381 [0,1,0,0,0,0|3,0,0]=4 1013 B8R0.5 CCNC(=O)CN(C)C 240690a_100015525214_100000750896 [0,1,0,0,0,0|3,0,0]=4 1014 B8R0.5 CCNC(=O)CN(C)C 269982a_100000741943_200000210301 [0,1,0,0,0,0|3,0,0]=4 1015 B8R0.5 CCNC(=O)CN(C)C 269982a_100102631434_100000183381 [0,1,0,0,0,0|3,0,0]=4 1016 B8R0.5 CCNC(=O)CN(C)C 527a_100015525214_100000750896 [0,1,0,0,0,0|3,0,0]=4 1017 B8R0.5 CCNC(=O)CN(C)[13CH3] 2230a_100000741943_200025704644 [0,1,0,0,0,0|3,0,0]=4 1018 B8R0.5 CCNC(=O)CN(C)[13CH3] 269982a_100000741943_200025704644 [0,1,0,0,0,0|3,0,0]=4 1019 B8R0.5 CCNC(=O)C[C@@H](C)O 240690a_100015525214_100011933948 [0,1,0,0,0,0|1,1,0]=3 1020 B8R0.5 CCNC(=O)C[S+](C)C 11a_100015525214_200159257847 [0,1,0,0,0,0|3,0,0]=4 1021 B8R0.5 CCNC(=O)C[S+](C)C 240690a_100015525214_200159257847 [0,1,0,0,0,0|3,0,0]=4 1022 B8R0.5 CCNC(=O)C[S+](C)C 527a_100015525214_200159257847 [0,1,0,0,0,0|3,0,0]=4 1023 B8R0.5 CCNC(=O)NC(C)C 2708a_100015525214_100138425928 [0,1,0,0,0,0|3,0,0]=4 1024 B8R0.5 CCNC(=O)NC(C)C 2708a_100138425928_100015525214 [0,1,0,0,0,0|3,0,0]=4 1025 B8R0.5 CCNC(=O)NC(C)C 273464a_100138425928_100015525214 [0,1,0,0,0,0|3,0,0]=4 1026 B8R0.5 CCNC(=O)NC(C)C 512a_100015525214_100138425928 [0,1,0,0,0,0|3,0,0]=4 1027 B8R0.5 CCNC(=O)NC(C)C 512a_100138425928_100015525214 [0,1,0,0,0,0|3,0,0]=4 1028 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000070787_100000188475 [0,1,0,0,0,0|0,1,1]=3 1029 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000243816_200000210301 [0,1,0,0,0,0|0,1,1]=3 1030 B8R0.5 CCOC(=O)CC(=O)[13CH3] 1458a_100000243816_200025704644 [0,1,0,0,0,0|0,1,1]=3 1031 B8R0.5 CCOC(=O)CN(C)C 2230a_100000220588_200000210301 [0,1,0,0,0,0|2,0,0]=3 1032 B8R0.5 CCOC(=O)CN(C)C 2230a_100102631434_100000188475 [0,1,0,0,0,0|2,0,0]=3 1033 B8R0.5 CCOC(=O)CN(C)C 269982a_100102631434_100000188475 [0,1,0,0,0,0|2,0,0]=3 1034 B8R0.5 CCOC(=O)CN(C)[13CH3] 2230a_100000220588_200025704644 [0,1,0,0,0,0|2,0,0]=3 1035 B8R0.5 CCOC(C)CC(C)C 34a_100000211805_100000210202 [0,1,0,0,0,0|2,0,1]=4 1036 B8R0.5 CCOC(C)CC(C)C 34a_100121572206_100000731052 [0,1,0,0,0,0|2,0,1]=4 1037 B8R0.5 CCOC(C)CC(C)C 7a_100000211805_100000210202 [0,1,0,0,0,0|2,0,1]=4 1038 B8R0.5 CN(C)CC(=O)CCF 1458a_100000750896_100011217306 [0,1,0,0,0,0|3,0,0]=4 1039 B8R0.5 CN(C)CC(=O)CCO 1458a_100000750896_100000211926 [0,1,0,0,0,0|2,1,0]=4 1040 B8R0.5 CNCC(=O)NC(C)C 2230a_100000168517_200000210301 [0,1,0,0,0,0|3,0,0]=4 1041 B8R0.5 CNCC(=O)NC(C)C 2230a_106832991635_100000183996 [0,1,0,0,0,0|3,0,0]=4 1042 B8R0.5 CNCC(=O)NC(C)C 34a_100102657272_100000183996 [0,1,0,0,0,0|3,0,0]=4 1043 B8R0.5 CNCC(=O)NC(C)C 7a_106832991635_100000183996 [0,1,0,0,0,0|3,0,0]=4 1044 B8R0.5 CNCC(=O)OC(C)C 2230a_106832991635_100011215430 [0,1,0,0,0,0|2,0,0]=3 1045 B8R0.5 CNCC(=O)OC(C)C 34a_100102657272_100011215430 [0,1,0,0,0,0|2,0,0]=3 1046 B8R0.5 CNCC(=O)OC(C)C 7a_106832991635_100011215430 [0,1,0,0,0,0|2,0,0]=3 1047 B8R0.5 CNNC(=O)CC(C)C 22a_100016993582_100000210554 [0,1,0,0,0,0|3,0,0]=4 1048 B8R0.5 CNNC(=O)C[C@@H](C)O 22a_100016993582_100011933948 [0,1,0,0,0,0|2,1,0]=4 1049 B8R0.5 COCC(=O)CC(C)C 1458a_100000210968_100000210624 [0,1,0,0,0,0|3,0,0]=4 1050 B8R0.5 COCC(=O)CC(C)O 1458a_100000210968_100011218427 [0,1,0,0,0,0|2,1,0]=4 1051 B8R0.5 COCC(=O)CC(F)F 1458a_100000210968_100011934356 [0,1,0,0,0,0|3,0,0]=4 1052 B8R0.5 COCC(=O)NC(C)C 11a_100138425928_100000210968 [0,1,0,0,0,0|3,0,0]=4 1053 B8R0.5 COCC(=O)NC(C)C 1626a_100138425928_100000210968 [0,1,0,0,0,0|3,0,0]=4 1054 B8R0.5 COCC(=O)NC(C)C 240690a_100138425928_100000210968 [0,1,0,0,0,0|3,0,0]=4 1055 B8R0.5 COCC(=O)NC(C)C 34a_100138415774_100000183996 [0,1,0,0,0,0|3,0,0]=4 1056 B8R0.5 COCC(=O)NC(C)C 527a_100138425928_100000210968 [0,1,0,0,0,0|3,0,0]=4 1057 B8R0.5 COCC(=O)OC(C)C 34a_100138415774_100011215430 [0,1,0,0,0,0|2,0,0]=3 1058 B8R0.5 CSCC(=O)CC(C)C 1458a_100000184570_100000210624 [0,1,0,0,0,0|3,0,0]=4 1059 B8R0.5 CSCC(=O)CC(C)O 1458a_100000184570_100011218427 [0,1,0,0,0,0|2,1,0]=4 1060 B8R0.5 CSCC(=O)CC(F)F 1458a_100000184570_100011934356 [0,1,0,0,0,0|3,0,0]=4 1061 B8R0.5 CSCC(=O)NC(C)C 11a_100138425928_100000184570 [0,1,0,0,0,0|3,0,0]=4 1062 B8R0.5 CSCC(=O)NC(C)C 1626a_100138425928_100000184570 [0,1,0,0,0,0|3,0,0]=4 1063 B8R0.5 CSCC(=O)NC(C)C 240690a_100138425928_100000184570 [0,1,0,0,0,0|3,0,0]=4 1064 B8R0.5 CSCC(=O)NC(C)C 527a_100138425928_100000184570 [0,1,0,0,0,0|3,0,0]=4 1065 B8R0.5 CSCC(=O)NC(C)C 62a_100000183996_200000210301 [0,1,0,0,0,0|3,0,0]=4 1066 B8R0.5 CSCC(=O)NC(C)C 62a_200000210301_100000183996 [0,1,0,0,0,0|3,0,0]=4 1067 B8R0.5 CSCC(=O)OC(C)C 62a_100011215430_200000210301 [0,1,0,0,0,0|2,0,0]=3 1068 B8R0.5 CSCC(=O)OC(C)C 62a_200000210301_100011215430 [0,1,0,0,0,0|2,0,0]=3 1069 B8R0.5 C[C@@H](O)CC(=O)CC#N 1458a_100011933948_100011214920 [0,1,0,0,0,0|2,0,1]=4 1070 B8R0.5 C[C@@H](O)CC(=O)CCF 1458a_100011933948_100011217306 [0,1,0,0,0,0|2,0,0]=3 1071 B8R0.5 C[C@@H](O)CC(=O)CCO 1458a_100011933948_100000211926 [0,1,0,0,0,0|1,1,0]=3 1072 B8R0.5 C[S+](C)CC(=O)CCF 1458a_200159257847_100011217306 [0,1,0,0,0,0|3,0,0]=4 1073 B8R0.5 C[S+](C)CC(=O)CCO 1458a_200159257847_100000211926 [0,1,0,0,0,0|2,1,0]=4 1074 B8R0.5 O=C(CCO)CC(F)F 1458a_100011216618_100011934356 [0,1,0,0,0,0|2,1,0]=4 1075 B8R0.22 C#CC(CCC)OCC 34a_200011217317_100000210202 [0,1,0,0,0,0|2,0,1]=4 1076 B8R0.22 C#CC(CCC)OCC 7a_200011217317_100000210202 [0,1,0,0,0,0|2,0,1]=4 1077 B8R0.22 C=CC(CCC)OCC 34a_100011216692_100000210202 [0,1,0,0,0,0|2,0,1]=4 1078 B8R0.22 C=CC(CCC)OCC 7a_100011216692_100000210202 [0,1,0,0,0,0|2,0,1]=4 1079 B8R0.22 CCCC(C#N)OCC 34a_100000686963_100000210202 [0,1,0,0,0,0|2,0,1]=4 1080 B8R0.22 CCCC(C#N)OCC 7a_100000686963_100000210202 [0,1,0,0,0,0|2,0,1]=4 1081 B8R0.22 CCCC(CC)OCC 34a_100000687864_100000210202 [0,1,0,0,0,0|2,0,1]=4 1082 B8R0.22 CCCC(CC)OCC 7a_100000687864_100000210202 [0,1,0,0,0,0|2,0,1]=4 1083 B8R0.30 CCCC(C)(C)OCC 7a_100000748436_100000210202 [0,1,0,0,0,0|2,0,1]=4 1084 B8R0.30 CCCS(=O)(=O)NCC 270084a_100015525214_100000211391 [0,1,0,0,0,0|3,0,0]=4 1085 B8R0.30 CCCS(=O)(=O)NCC 274078a_100015525214_100000211391 [0,1,0,0,0,0|3,0,0]=4 1086 B8R0.30 CCCS(=O)(=O)NCC 40a_100015525214_100000054278 [0,1,0,0,0,0|3,0,0]=4 1087 B8R0.30 CCNS(=O)(=O)CCBr 270084a_100015525214_100000731045 [0,1,0,0,0,0|3,0,0]=4 1088 B8R0.30 CCNS(=O)(=O)CCBr 274078a_100015525214_100000731045 [0,1,0,0,0,0|3,0,0]=4 1089 B8R0.30 CCNS(=O)(=O)CCCl 270084a_100015525214_100000184613 [0,1,0,0,0,0|3,0,0]=4 1090 B8R0.30 CCNS(=O)(=O)CCCl 274078a_100015525214_100000184613 [0,1,0,0,0,0|3,0,0]=4 1091 B8R0.30 CCOC(C)(C)CCBr 7a_100000702414_100000210202 [0,1,0,0,0,0|2,0,1]=4 1092 B8R1.4 CN1CCNC(=O)C1 2230a_100000184651_200000210301 [0,0,0,1,0,0|3,0,0]=4 1093 B8R1.4 CN1CCOC(=O)C1 2230a_100000131268_200000210301 [0,0,0,1,0,0|2,0,0]=3 1094 B8R1.4 [13CH3]N1CCNC(=O)C1 2230a_100000184651_200025704644 [0,0,0,1,0,0|3,0,0]=4 1095 B8R1.4 [13CH3]N1CCOC(=O)C1 2230a_100000131268_200025704644 [0,0,0,1,0,0|2,0,0]=3 1096 B8R1.8 CCCN1CCSC1 2230a_100011215254_100000210303 [0,0,0,1,0,0|3,0,0]=4 1097 B8R1.8 CCCN1CCSC1 269982a_100011215254_100000210303 [0,0,0,1,0,0|3,0,0]=4 1098 B8R1.8 CCNC1CCSC1 270004a_100015525214_100000212027 [0,0,0,1,0,0|2,0,1]=4 1099 B8R1.8 CCOC1CCCC1 34a_100000210269_100000210202 [0,0,0,1,0,0|2,0,1]=4 1100 B8R1.8 CCOC1CCCC1 34a_100121572206_100000179811 [0,0,0,1,0,0|2,0,1]=4 1101 B8R1.8 CCOC1CCCC1 7a_100000210269_100000210202 [0,0,0,1,0,0|2,0,1]=4 1102 B8R1.8 CCOC1CCCO1 34a_100000085407_100000210202 [0,0,0,1,0,0|1,0,2]=4 1103 B8R1.8 CCOC1CCOC1 34a_100121572206_100000690089 [0,0,0,1,0,0|1,1,1]=4 1104 B8R1.8 CCOC1CCSC1 7a_100011232664_100000210202 [0,0,0,1,0,0|1,0,1]=3 1105 B8R1.8 CCO[C@H]1CCOC1 34a_100000717292_100000210202 [0,0,0,1,0,0|1,1,1]=4 1106 B8R1.8 CCOc1ccsc1 34a_100000106738_100000210202 [0,0,0,1,0,0|1,0,2]=4 1107 B8R1.8 CCOc1ccsc1 7a_100000106738_100000210202 [0,0,0,1,0,0|1,0,2]=4 1108 B8R1.8 FCOC1CCSC1 7a_100011232664_100015361967 [0,0,0,1,0,0|2,0,1]=4 1109 B8R1.11 CNC1CCCC1=O 2230a_106832991635_100000211823 [0,0,0,1,0,0|3,0,0]=4 1110 B8R1.11 CNC1CCCC1=O 34a_100102657272_100000709159 [0,0,0,1,0,0|3,0,0]=4 1111 B8R1.11 CNC1CCCC1=O 7a_106832991635_100000211823 [0,0,0,1,0,0|3,0,0]=4 1112 B8R1.11 CNC1CCNC1=O 2230a_100016995588_200000210301 [0,0,0,1,0,0|3,0,0]=4 1113 B8R1.11 CNC1CCNC1=O 34a_100016995588_200000210301 [0,0,0,1,0,0|3,0,0]=4 1114 B8R1.11 CNC1CCOC1=O 2230a_106832991635_100000211211 [0,0,0,1,0,0|2,0,0]=3 1115 B8R1.11 CNC1CCOC1=O 34a_100102657272_100000211211 [0,0,0,1,0,0|2,0,0]=3 1116 B8R1.11 CNC1CCOC1=O 7a_106832991635_100000211211 [0,0,0,1,0,0|2,0,0]=3 1117 B8R1.11 COC1CCCC1=O 34a_100138415774_100000709159 [0,0,0,1,0,0|3,0,0]=4 1118 B8R1.11 COC1CCCC1=O 34a_200000719330_200000210301 [0,0,0,1,0,0|3,0,0]=4 1119 B8R1.11 COC1CCOC1=O 34a_100138415774_100000211211 [0,0,0,1,0,0|2,0,0]=3 1120 B8R1.11 CO[C@H]1CCNC1=O 34a_100000688343_200000210301 [0,0,0,1,0,0|3,0,0]=4 1121 B8R1.11 CSC1CCCC1=O 62a_100000211823_200000210301 [0,0,0,1,0,0|3,0,0]=4 1122 B8R1.11 CSC1CCCC1=O 62a_200000210301_100000211823 [0,0,0,1,0,0|3,0,0]=4 1123 B8R1.11 CSC1CCOC1=O 62a_100000211211_200000210301 [0,0,0,1,0,0|2,0,0]=3 1124 B8R1.11 CSC1CCOC1=O 62a_200000210301_100000211211 [0,0,0,1,0,0|2,0,0]=3 1125 B8R1.11 [13CH3]NC1CCNC1=O 2230a_100016995588_200025704644 [0,0,0,1,0,0|3,0,0]=4 1126 B8R1.11 [13CH3]NC1CCNC1=O 34a_100016995588_200025704644 [0,0,0,1,0,0|3,0,0]=4 1127 B8R1.11 [13CH3]OC1CCCC1=O 34a_200000719330_200025704644 [0,0,0,1,0,0|3,0,0]=4 1128 B8R1.11 [13CH3]O[C@H]1CCNC1=O 34a_100000688343_200025704644 [0,0,0,1,0,0|3,0,0]=4 1129 B8R1.11 [13CH3]SC1CCCC1=O 62a_100000211823_200025704644 [0,0,0,1,0,0|3,0,0]=4 1130 B8R1.11 [13CH3]SC1CCCC1=O 62a_200025704644_100000211823 [0,0,0,1,0,0|3,0,0]=4 1131 B8R1.11 [13CH3]SC1CCOC1=O 62a_100000211211_200025704644 [0,0,0,1,0,0|2,0,0]=3 1132 B8R1.11 [13CH3]SC1CCOC1=O 62a_200025704644_100000211211 [0,0,0,1,0,0|2,0,0]=3 1133 B8R1.37 C#CCC(=O)C1CC1 1458a_100000210395_100000184674 [0,0,0,1,0,0|2,0,1]=4 1134 B8R1.37 C=CCC(=O)C1CC1 1458a_100000210395_100000210623 [0,0,0,1,0,0|2,0,1]=4 1135 B8R1.37 CCCC(=O)C1CC1 1458a_100000210395_100000210303 [0,0,0,1,0,0|2,0,0]=3 1136 B8R1.37 CCCC(=O)C1CO1 1458a_100000701028_100000210303 [0,0,0,1,0,0|1,1,0]=3 1137 B8R1.37 CCNC(=O)C1CC1 11a_100015525214_100000210395 [0,0,0,1,0,0|2,0,0]=3 1138 B8R1.37 CCNC(=O)C1CC1 240690a_100015525214_100000210395 [0,0,0,1,0,0|2,0,0]=3 1139 B8R1.37 CCNC(=O)C1CC1 527a_100015525214_100000210395 [0,0,0,1,0,0|2,0,0]=3 1140 B8R1.37 CCNC(=O)C1CO1 11a_100015525214_100000701028 [0,0,0,1,0,0|1,1,0]=3 1141 B8R1.37 CCNC(=O)C1CO1 240690a_100015525214_100000701028 [0,0,0,1,0,0|1,1,0]=3 1142 B8R1.37 CCNC(=O)C1CO1 527a_100015525214_100000701028 [0,0,0,1,0,0|1,1,0]=3 1143 B8R1.37 CCOC(C)C1CC1 34a_100000744524_100000210202 [0,0,0,1,0,0|2,0,1]=4 1144 B8R1.37 CCOC(C)C1CC1 7a_100000744524_100000210202 [0,0,0,1,0,0|2,0,1]=4 1145 B8R1.37 CNCC(=O)C1CC1 2230a_106832991635_100000746382 [0,0,0,1,0,0|3,0,0]=4 1146 B8R1.37 CNCC(=O)C1CC1 34a_100102657272_100000746382 [0,0,0,1,0,0|3,0,0]=4 1147 B8R1.37 CNCC(=O)C1CC1 7a_106832991635_100000746382 [0,0,0,1,0,0|3,0,0]=4 1148 B8R1.37 CNNC(=O)C1CC1 22a_100016993582_100000210395 [0,0,0,1,0,0|3,0,0]=4 1149 B8R1.37 CNNC(=O)C1CO1 22a_100016993582_100000701028 [0,0,0,1,0,0|2,1,0]=4 1150 B8R1.37 COCC(=O)C1CC1 34a_100000686663_200000210301 [0,0,0,1,0,0|3,0,0]=4 1151 B8R1.37 COCC(=O)C1CC1 34a_100138415774_100000746382 [0,0,0,1,0,0|3,0,0]=4 1152 B8R1.37 CSCC(=O)C1CC1 62a_100000746382_200000210301 [0,0,0,1,0,0|3,0,0]=4 1153 B8R1.37 CSCC(=O)C1CC1 62a_200000210301_100000746382 [0,0,0,1,0,0|3,0,0]=4 1154 B8R1.37 N#CCC(=O)C1CC1 1458a_100000210395_100011214920 [0,0,0,1,0,0|2,0,1]=4 1155 B8R1.37 O=C(CCF)C1CC1 1458a_100000210395_100011217306 [0,0,0,1,0,0|2,0,0]=3 1156 B8R1.37 O=C(CCF)C1CO1 1458a_100000701028_100011217306 [0,0,0,1,0,0|2,1,0]=4 1157 B8R1.37 O=C(CCO)C1CC1 1458a_100000210395_100000211926 [0,0,0,1,0,0|1,1,0]=3 1158 B8R1.37 O=C(CCO)C1CO1 1458a_100000701028_100000211926 [0,0,0,1,0,0|2,1,0]=4 1159 B8R1.37 [13CH3]OCC(=O)C1CC1 34a_100000686663_200025704644 [0,0,0,1,0,0|3,0,0]=4 1160 B8R1.37 [13CH3]SCC(=O)C1CC1 62a_100000746382_200025704644 [0,0,0,1,0,0|3,0,0]=4 1161 B8R1.37 [13CH3]SCC(=O)C1CC1 62a_200025704644_100000746382 [0,0,0,1,0,0|3,0,0]=4 1162 B8R1.66 CCOC1(CCC1)C 34a_100000759064_100000210202 [0,0,0,1,0,0|2,0,1]=4 1163 B8R1.66 CCOC1(CCC1)C 7a_100000759064_100000210202 [0,0,0,1,0,0|2,0,1]=4 1164 B5R0.1 C#CCC(=O)C 1458a_100000070787_100000184674 [2,0,0,0,0,0|1,0,1]=4 1165 B5R0.1 C#CCC(=O)C 1458a_100011220946_200000210301 [2,0,0,0,0,0|1,0,1]=4 1166 B5R0.1 C#CCC(=O)[13CH3] 1458a_100011220946_200025704644 [2,0,0,0,0,0|1,0,1]=4 1167 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [2,0,0,0,0,0|1,0,1]=4 1168 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [2,0,0,0,0,0|1,0,1]=4 1169 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [2,0,0,0,0,0|1,0,1]=4 1170 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [2,0,0,0,0,0|1,0,1]=4 1171 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [2,0,0,0,0,0|1,0,1]=4 1172 B5R0.1 CC(=O)CC#N 1458a_100000070787_100011214920 [2,0,0,0,0,0|1,0,1]=4 1173 B5R0.1 CC(=O)CC#N 1458a_100051588842_200000210301 [2,0,0,0,0,0|1,0,1]=4 1174 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [2,0,0,0,0,0|1,0,0]=3 1175 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [2,0,0,0,0,0|0,1,0]=3 1176 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [2,0,0,0,0,0|0,1,0]=3 1177 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [2,0,0,0,0,0|2,0,0]=4 1178 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [2,0,0,0,0,0|1,0,1]=4 1179 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [2,0,0,0,0,0|1,0,1]=4 1180 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [2,0,0,0,0,0|1,0,0]=3 1181 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [2,0,0,0,0,0|1,0,0]=3 1182 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [2,0,0,0,0,0|1,0,0]=3 1183 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [2,0,0,0,0,0|1,0,0]=3 1184 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [2,0,0,0,0,0|1,0,0]=3 1185 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [2,0,0,0,0,0|1,0,0]=3 1186 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [2,0,0,0,0,0|1,0,1]=4 1187 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [2,0,0,0,0,0|1,0,1]=4 1188 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [2,0,0,0,0,0|2,0,0]=4 1189 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [2,0,0,0,0,0|2,0,0]=4 1190 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [2,0,0,0,0,0|2,0,0]=4 1191 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [2,0,0,0,0,0|2,0,0]=4 1192 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [2,0,0,0,0,0|2,0,0]=4 1193 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [2,0,0,0,0,0|2,0,0]=4 1194 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [2,0,0,0,0,0|2,0,0]=4 1195 B5R0.1 [13CH3]C(=O)CC#N 1458a_100051588842_200025704644 [2,0,0,0,0,0|1,0,1]=4 1196 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [2,0,0,0,0,0|0,1,0]=3 1197 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [2,0,0,0,0,0|2,0,0]=4 1198 B5R0.2 C#CCOCC 34a_100000210247_100000210202 [2,0,0,0,0,0|1,0,1]=4 1199 B5R0.2 C#CCOCC 34a_100121572206_100000184674 [2,0,0,0,0,0|1,0,1]=4 1200 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [2,0,0,0,0,0|1,0,1]=4 1201 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [2,0,0,0,0,0|1,0,1]=4 1202 B5R0.2 CCCCOC 34a_100000210227_200000210301 [2,0,0,0,0,0|1,0,1]=4 1203 B5R0.2 CCCCOC 34a_100138415774_100000210210 [2,0,0,0,0,0|1,0,1]=4 1204 B5R0.2 CCCCOC 7a_100000210227_200000210301 [2,0,0,0,0,0|1,0,1]=4 1205 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [2,0,0,0,0,0|1,0,1]=4 1206 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [2,0,0,0,0,0|1,0,1]=4 1207 B5R0.2 CCCNCC 2230a_100015525214_100000210303 [2,0,0,0,0,0|1,0,1]=4 1208 B5R0.2 CCCOCC 34a_100000210258_100000210202 [2,0,0,0,0,0|0,0,1]=3 1209 B5R0.2 CCCOCC 34a_100121572206_100000210303 [2,0,0,0,0,0|0,0,1]=3 1210 B5R0.2 CCCOCF 34a_100000210258_100015361967 [2,0,0,0,0,0|1,0,1]=4 1211 B5R0.2 CCCSCC 62a_100000210202_100000210303 [2,0,0,0,0,0|0,1,1]=4 1212 B5R0.2 CCCSCC 62a_100000210303_100000210202 [2,0,0,0,0,0|0,1,1]=4 1213 B5R0.2 CCNCCF 2230a_100015525214_100011217306 [2,0,0,0,0,0|2,0,0]=4 1214 B5R0.2 CCNCCF 34a_100000724931_100000210202 [2,0,0,0,0,0|2,0,0]=4 1215 B5R0.2 CCNCCO 2230a_100015525214_100000211926 [2,0,0,0,0,0|1,1,0]=4 1216 B5R0.2 CCNCCO 2230a_100016997473_100000210202 [2,0,0,0,0,0|1,1,0]=4 1217 B5R0.2 CCNCCO 34a_100016990907_100000210202 [2,0,0,0,0,0|1,1,0]=4 1218 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [2,0,0,0,0,0|0,1,1]=4 1219 B5R0.2 CCOCCBr 34a_100000211926_100000210202 [2,0,0,0,0,0|1,0,0]=3 1220 B5R0.2 CCOCCF 34a_100121572206_100011217306 [2,0,0,0,0,0|1,0,0]=3 1221 B5R0.2 CCOCCN 34a_100000210304_100000210202 [2,0,0,0,0,0|1,0,0]=3 1222 B5R0.2 CCOCCO 34a_100121572206_100000211926 [2,0,0,0,0,0|0,1,0]=3 1223 B5R0.2 CCOCSC 34a_100121572206_100011218213 [2,0,0,0,0,0|1,0,1]=4 1224 B5R0.2 CCOCSC 62a_100000739092_200000210301 [2,0,0,0,0,0|1,0,1]=4 1225 B5R0.2 CCOCSC 62a_200000210301_100000739092 [2,0,0,0,0,0|1,0,1]=4 1226 B5R0.2 CCOCS[13CH3] 62a_100000739092_200025704644 [2,0,0,0,0,0|1,0,1]=4 1227 B5R0.2 CCOCS[13CH3] 62a_200025704644_100000739092 [2,0,0,0,0,0|1,0,1]=4 1228 B5R0.2 CCSCCF 62a_100000210202_100011217306 [2,0,0,0,0,0|1,1,0]=4 1229 B5R0.2 CCSCCF 62a_100011217306_100000210202 [2,0,0,0,0,0|1,1,0]=4 1230 B5R0.2 CCSCCO 62a_100000210202_100000211926 [2,0,0,0,0,0|0,2,0]=4 1231 B5R0.2 CCSCCO 62a_100000211926_100000210202 [2,0,0,0,0,0|0,2,0]=4 1232 B5R0.2 COCCCBr 34a_100011217188_200000210301 [2,0,0,0,0,0|1,0,1]=4 1233 B5R0.2 COCCCCl 34a_100000230001_200000210301 [2,0,0,0,0,0|1,0,1]=4 1234 B5R0.2 COCCCF 34a_100000759539_200000210301 [2,0,0,0,0,0|1,0,1]=4 1235 B5R0.2 COCCCF 34a_100138415774_100011934791 [2,0,0,0,0,0|1,0,1]=4 1236 B5R0.2 COCCCN 34a_100000182051_200000210301 [2,0,0,0,0,0|1,0,1]=4 1237 B5R0.2 COCCCO 34a_100138415774_100000230001 [2,0,0,0,0,0|0,1,1]=4 1238 B5R0.2 FCOCCBr 34a_100000211926_100015361967 [2,0,0,0,0,0|2,0,0]=4 1239 B5R0.2 NCCOCF 34a_100000210304_100015361967 [2,0,0,0,0,0|2,0,0]=4 1240 B5R0.2 [13CH3]OCCCBr 34a_100011217188_200025704644 [2,0,0,0,0,0|1,0,1]=4 1241 B5R0.2 [13CH3]OCCCCl 34a_100000230001_200025704644 [2,0,0,0,0,0|1,0,1]=4 1242 B5R0.2 [13CH3]OCCCF 34a_100000759539_200025704644 [2,0,0,0,0,0|1,0,1]=4 1243 B5R0.2 [13CH3]OCCCN 34a_100000182051_200025704644 [2,0,0,0,0,0|1,0,1]=4 1244 B5R0.3 C#CC(=O)CC 1458a_100000211873_100000210202 [2,0,0,0,0,0|0,0,2]=4 1245 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [2,0,0,0,0,0|0,0,2]=4 1246 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [2,0,0,0,0,0|0,0,0]=2 1247 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [2,0,0,0,0,0|1,0,0]=3 1248 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [2,0,0,0,0,0|0,1,0]=3 1249 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [2,0,0,0,0,0|1,0,0]=3 1250 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [2,0,0,0,0,0|1,0,0]=3 1251 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [2,0,0,0,0,0|1,0,0]=3 1252 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [2,0,0,0,0,0|1,0,0]=3 1253 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [2,0,0,0,0,0|1,0,1]=4 1254 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [2,0,0,0,0,0|1,0,1]=4 1255 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [2,0,0,0,0,0|1,0,1]=4 1256 B5R0.3 CCN(C)CC 2230a_100000225621_100000210202 [2,0,0,0,0,0|2,0,0]=4 1257 B5R0.3 CCN(C)CC 2230a_100000724800_200000210301 [2,0,0,0,0,0|2,0,0]=4 1258 B5R0.3 CCN(C)CC 269956a_100000042499_200000210301 [2,0,0,0,0,0|2,0,0]=4 1259 B5R0.3 CCN(C)CC 269982a_100000225621_100000204670 [2,0,0,0,0,0|2,0,0]=4 1260 B5R0.3 CCN(C)CC 269982a_100000724800_200000210301 [2,0,0,0,0,0|2,0,0]=4 1261 B5R0.3 CCN([13CH3])CC 2230a_100000724800_200025704644 [2,0,0,0,0,0|2,0,0]=4 1262 B5R0.3 CCN([13CH3])CC 269956a_100000042499_200025704644 [2,0,0,0,0,0|2,0,0]=4 1263 B5R0.3 CCN([13CH3])CC 269982a_100000724800_200025704644 [2,0,0,0,0,0|2,0,0]=4 1264 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [2,0,0,0,0,0|1,1,0]=4 1265 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [2,0,0,0,0,0|1,1,0]=4 1266 B5R0.3 CNC(=O)NC 2708a_100102657272_106832991635 [2,0,0,0,0,0|2,0,0]=4 1267 B5R0.3 CNC(=O)NC 273464a_100102657272_100102657272 [2,0,0,0,0,0|2,0,0]=4 1268 B5R0.3 CNC(=O)NC 512a_106832991638_100102657272 [2,0,0,0,0,0|2,0,0]=4 1269 B5R0.3 O=C(CO)CF 1458a_100000210174_100015361967 [2,0,0,0,0,0|1,1,0]=4 1270 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [1,1,0,0,0,0|1,0,1]=4 1271 B7R0.2 C=C(F)CC(=O)CC 1458a_100000210414_100009893438 [1,1,0,0,0,0|1,0,1]=4 1272 B7R0.2 CC(C)CC(=O)CF 1458a_100000210554_100015361967 [1,1,0,0,0,0|2,0,0]=4 1273 B7R0.2 CC(C)CC(=O)CO 1458a_100000210174_100000210624 [1,1,0,0,0,0|1,1,0]=4 1274 B7R0.2 CC(C)NC(=O)CO 240690a_100138425928_100000210174 [1,1,0,0,0,0|1,1,0]=4 1275 B7R0.2 CC(C)NC(=O)CO 527a_100138425928_100000210174 [1,1,0,0,0,0|1,1,0]=4 1276 B7R0.2 CC(O)CC(=O)CO 1458a_100000210174_100011218427 [1,1,0,0,0,0|1,1,0]=4 1277 B7R0.2 CCC(=O)C=C(C)C 1458a_100000211388_100000210202 [1,1,0,0,0,0|1,0,1]=4 1278 B7R0.2 CCC(=O)C=C(C)Cl 1458a_200042562850_100000210202 [1,1,0,0,0,0|1,0,1]=4 1279 B7R0.2 CCC(=O)C=C(C)I 1458a_100025716642_100000210202 [1,1,0,0,0,0|1,0,1]=4 1280 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [1,1,0,0,0,0|0,1,1]=4 1281 B7R0.2 CCC(=O)CC(=O)N 1458a_100000210414_100000187820 [1,1,0,0,0,0|0,1,1]=4 1282 B7R0.2 CCC(=O)CC(=O)N 1458a_100134613110_100000210202 [1,1,0,0,0,0|0,1,1]=4 1283 B7R0.2 CCC(=O)CC(=O)[O-] 1458a_100000210414_100020667443 [1,1,0,0,0,0|0,1,1]=4 1284 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [1,1,0,0,0,0|1,0,0]=3 1285 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [1,1,0,0,0,0|1,0,0]=3 1286 B7R0.2 CCC(=O)CC(C)O 1458a_100000210414_100011218427 [1,1,0,0,0,0|0,1,0]=3 1287 B7R0.2 CCC(=O)CC(F)F 1458a_100000210414_100011934356 [1,1,0,0,0,0|1,0,0]=3 1288 B7R0.2 CCC(=O)CN(C)C 1458a_100000750896_100000210202 [1,1,0,0,0,0|2,0,0]=4 1289 B7R0.2 CCC(=O)CN(C)C 269982a_100102631434_100000747405 [1,1,0,0,0,0|2,0,0]=4 1290 B7R0.2 CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210202 [1,1,0,0,0,0|0,1,0]=3 1291 B7R0.2 CCC(=O)C[N+](=O)[O-] 1458a_100000210414_100000761209 [1,1,0,0,0,0|1,1,0]=4 1292 B7R0.2 CCC(=O)C[S+](C)C 1458a_200159257847_100000210202 [1,1,0,0,0,0|2,0,0]=4 1293 B7R0.2 CCC(=O)NC(C)C 11a_100138425928_100000210414 [1,1,0,0,0,0|1,0,0]=3 1294 B7R0.2 CCC(=O)NC(C)C 1626a_100138425928_100000210414 [1,1,0,0,0,0|1,0,0]=3 1295 B7R0.2 CCC(=O)NC(C)C 240690a_100138425928_100000210414 [1,1,0,0,0,0|1,0,0]=3 1296 B7R0.2 CCC(=O)NC(C)C 527a_100138425928_100000210414 [1,1,0,0,0,0|1,0,0]=3 1297 B7R0.2 CCC(C)OC(C)C 34a_100000212225_100011215416 [1,1,0,0,0,0|1,0,1]=4 1298 B7R0.2 CCC(C)OC(C)C 7a_100000210228_100000210206 [1,1,0,0,0,0|1,0,1]=4 1299 B7R0.2 CNC(=O)CC(C)C 11a_106832991635_100000210554 [1,1,0,0,0,0|2,0,0]=4 1300 B7R0.2 CNC(=O)CC(C)C 1626a_100102657272_100000210554 [1,1,0,0,0,0|2,0,0]=4 1301 B7R0.2 CNC(=O)CC(C)C 240690a_100102657272_100000210554 [1,1,0,0,0,0|2,0,0]=4 1302 B7R0.2 CNC(=O)CC(C)C 527a_100102657272_100000210554 [1,1,0,0,0,0|2,0,0]=4 1303 B7R0.2 CNC(=O)C[C@@H](C)O 240690a_100102657272_100011933948 [1,1,0,0,0,0|1,1,0]=4 1304 B7R0.2 CNC(=O)NC(C)C 2708a_100102657272_100138425928 [1,1,0,0,0,0|2,0,0]=4 1305 B7R0.2 CNC(=O)NC(C)C 2708a_100138425928_106832991635 [1,1,0,0,0,0|2,0,0]=4 1306 B7R0.2 CNC(=O)NC(C)C 273464a_100138425928_100102657272 [1,1,0,0,0,0|2,0,0]=4 1307 B7R0.2 CNC(=O)NC(C)C 512a_100138425928_100102657272 [1,1,0,0,0,0|2,0,0]=4 1308 B7R0.2 CNC(=O)NC(C)C 512a_106832991638_100138425928 [1,1,0,0,0,0|2,0,0]=4 1309 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [1,1,0,0,0,0|0,1,1]=4 1310 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [1,1,0,0,0,0|0,1,1]=4 1311 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [1,1,0,0,0,0|0,1,1]=4 1312 B7R0.2 COC(=O)CN(C)C 2230a_100000198492_200000210301 [1,1,0,0,0,0|2,0,0]=4 1313 B7R0.2 COC(=O)CN(C)C 2230a_100102631434_100000747449 [1,1,0,0,0,0|2,0,0]=4 1314 B7R0.2 COC(=O)CN(C)C 269982a_100102631434_100000747449 [1,1,0,0,0,0|2,0,0]=4 1315 B7R0.2 COC(=O)CN(C)[13CH3] 2230a_100000198492_200025704644 [1,1,0,0,0,0|2,0,0]=4 1316 B7R0.2 C[C@@H](O)CC(=O)CF 1458a_100011933948_100015361967 [1,1,0,0,0,0|1,1,0]=4 1317 B7R0.2 O=C(CO)CC(F)F 1458a_100000210174_100011934356 [1,1,0,0,0,0|2,0,0]=4 1318 B7R0.3 C#CC(=O)CCSC 1458a_100000211873_100000751147 [1,1,0,0,0,0|0,0,2]=4 1319 B7R0.3 C#CCCC(=O)CC 1458a_100000210414_100000753159 [1,1,0,0,0,0|1,0,0]=3 1320 B7R0.3 C#CCCC(=O)CC 1458a_100000692101_100000210202 [1,1,0,0,0,0|1,0,0]=3 1321 B7R0.3 C#CCCC(=O)CF 1458a_100000692101_100015361967 [1,1,0,0,0,0|2,0,0]=4 1322 B7R0.3 C#CCCC(=O)CO 1458a_100000210174_100000753159 [1,1,0,0,0,0|2,0,0]=4 1323 B7R0.3 C#CCCC(=O)NC 11a_106832991635_100000692101 [1,1,0,0,0,0|2,0,0]=4 1324 B7R0.3 C#CCCC(=O)NC 1626a_100102657272_100000692101 [1,1,0,0,0,0|2,0,0]=4 1325 B7R0.3 C#CCCC(=O)NC 240690a_100102657272_100000692101 [1,1,0,0,0,0|2,0,0]=4 1326 B7R0.3 C#CCCC(=O)NC 527a_100102657272_100000692101 [1,1,0,0,0,0|2,0,0]=4 1327 B7R0.3 C#CCNC(=O)CC 11a_100000212058_100000210414 [1,1,0,0,0,0|1,0,1]=4 1328 B7R0.3 C#CCNC(=O)CC 1626a_100000212058_100000210414 [1,1,0,0,0,0|1,0,1]=4 1329 B7R0.3 C#CCNC(=O)CC 240690a_100000212058_100000210414 [1,1,0,0,0,0|1,0,1]=4 1330 B7R0.3 C#CCNC(=O)CC 527a_100000212058_100000210414 [1,1,0,0,0,0|1,0,1]=4 1331 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [1,1,0,0,0,0|1,0,1]=4 1332 B7R0.3 C=CC(=O)CCSC 1458a_100000185746_100000751147 [1,1,0,0,0,0|0,0,2]=4 1333 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [1,1,0,0,0,0|1,0,0]=3 1334 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [1,1,0,0,0,0|1,0,0]=3 1335 B7R0.3 C=CCCC(=O)CF 1458a_100000749702_100015361967 [1,1,0,0,0,0|2,0,0]=4 1336 B7R0.3 C=CCCC(=O)CO 1458a_100000210174_100000754431 [1,1,0,0,0,0|2,0,0]=4 1337 B7R0.3 C=CCCC(=O)NC 11a_106832991635_100000749702 [1,1,0,0,0,0|2,0,0]=4 1338 B7R0.3 C=CCCC(=O)NC 1626a_100102657272_100000749702 [1,1,0,0,0,0|2,0,0]=4 1339 B7R0.3 C=CCCC(=O)NC 240690a_100102657272_100000749702 [1,1,0,0,0,0|2,0,0]=4 1340 B7R0.3 C=CCCC(=O)NC 527a_100102657272_100000749702 [1,1,0,0,0,0|2,0,0]=4 1341 B7R0.3 C=CCNC(=O)CC 1626a_100020586998_100000210414 [1,1,0,0,0,0|1,0,1]=4 1342 B7R0.3 C=CCNC(=O)CC 240690a_100020586998_100000210414 [1,1,0,0,0,0|1,0,1]=4 1343 B7R0.3 C=CCNC(=O)CC 527a_100020586998_100000210414 [1,1,0,0,0,0|1,0,1]=4 1344 B7R0.3 CC#CCC(=O)CC 1458a_100000210414_100000748600 [1,1,0,0,0,0|1,0,1]=4 1345 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [1,1,0,0,0,0|1,0,1]=4 1346 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [1,1,0,0,0,0|1,0,1]=4 1347 B7R0.3 CC=NNC(=O)CC 4a_100000183195_200000210099 [1,1,0,0,0,0|1,0,1]=4 1348 B7R0.3 CCC#CC(=O)CC 1458a_100011827653_100000210202 [1,1,0,0,0,0|1,0,0]=3 1349 B7R0.3 CCC#CC(=O)CF 1458a_100011827653_100015361967 [1,1,0,0,0,0|2,0,0]=4 1350 B7R0.3 CCC(=O)C#CCO 1458a_100000049017_100000210202 [1,1,0,0,0,0|0,1,1]=4 1351 B7R0.3 CCC(=O)C=COC 1458a_100016268678_100000210202 [1,1,0,0,0,0|1,0,1]=4 1352 B7R0.3 CCC(=O)CCC#N 1458a_100000210414_100011215226 [1,1,0,0,0,0|1,0,0]=3 1353 B7R0.3 CCC(=O)CCC#N 1458a_100011934036_100000210202 [1,1,0,0,0,0|1,0,0]=3 1354 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [1,1,0,0,0,0|1,0,0]=3 1355 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [1,1,0,0,0,0|0,1,0]=3 1356 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [1,1,0,0,0,0|0,1,0]=3 1357 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [1,1,0,0,0,0|0,1,0]=3 1358 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [1,1,0,0,0,0|0,0,0]=2 1359 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [1,1,0,0,0,0|0,0,0]=2 1360 B7R0.3 CCC(=O)COCF 34a_100000725409_100015361967 [1,1,0,0,0,0|1,0,0]=3 1361 B7R0.3 CCC(=O)CSCF 62a_100000747405_100015361967 [1,1,0,0,0,0|1,0,0]=3 1362 B7R0.3 CCC(=O)CSCF 62a_100015361967_100000747405 [1,1,0,0,0,0|1,0,0]=3 1363 B7R0.3 CCC(=O)NCC#N 1626a_100000734998_100000210414 [1,1,0,0,0,0|1,0,1]=4 1364 B7R0.3 CCC(=O)NCC#N 527a_100000734998_100000210414 [1,1,0,0,0,0|1,0,1]=4 1365 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [1,1,0,0,0,0|1,0,0]=3 1366 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [1,1,0,0,0,0|1,0,0]=3 1367 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [1,1,0,0,0,0|1,0,0]=3 1368 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [1,1,0,0,0,0|1,0,0]=3 1369 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [1,1,0,0,0,0|0,1,0]=3 1370 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [1,1,0,0,0,0|0,1,0]=3 1371 B7R0.3 CCC(C)OCCBr 34a_100000211926_100011215416 [1,1,0,0,0,0|1,0,1]=4 1372 B7R0.3 CCC(C)OCCF 7a_100000210228_100011217306 [1,1,0,0,0,0|1,0,1]=4 1373 B7R0.3 CCC(C)OCCN 34a_100000210304_100011215416 [1,1,0,0,0,0|1,0,1]=4 1374 B7R0.3 CCC(C)OCCO 7a_100000210228_100000211926 [1,1,0,0,0,0|1,0,1]=4 1375 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [1,1,0,0,0,0|1,0,0]=3 1376 B7R0.3 CCC=CC(=O)CF 1458a_100000212282_100015361967 [1,1,0,0,0,0|2,0,0]=4 1377 B7R0.3 CCC=CC(=O)NC 11a_106832991635_100000212282 [1,1,0,0,0,0|2,0,0]=4 1378 B7R0.3 CCC=CC(=O)NC 1626a_100102657272_100000212282 [1,1,0,0,0,0|2,0,0]=4 1379 B7R0.3 CCC=CC(=O)NC 240690a_100102657272_100000212282 [1,1,0,0,0,0|2,0,0]=4 1380 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [1,1,0,0,0,0|1,0,0]=3 1381 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [1,1,0,0,0,0|1,0,0]=3 1382 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [1,1,0,0,0,0|2,0,0]=4 1383 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [1,1,0,0,0,0|1,1,0]=4 1384 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [1,1,0,0,0,0|2,0,0]=4 1385 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [1,1,0,0,0,0|2,0,0]=4 1386 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [1,1,0,0,0,0|2,0,0]=4 1387 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [1,1,0,0,0,0|2,0,0]=4 1388 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [1,1,0,0,0,0|1,0,0]=3 1389 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [1,1,0,0,0,0|1,0,0]=3 1390 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [1,1,0,0,0,0|1,0,0]=3 1391 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [1,1,0,0,0,0|1,0,0]=3 1392 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [1,1,0,0,0,0|1,1,0]=4 1393 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [1,1,0,0,0,0|1,1,0]=4 1394 B7R0.3 CCCNC(=O)NC 2708a_100020643023_106832991635 [1,1,0,0,0,0|2,0,0]=4 1395 B7R0.3 CCCNC(=O)NC 2708a_100102657272_100020643023 [1,1,0,0,0,0|2,0,0]=4 1396 B7R0.3 CCCNC(=O)NC 273464a_100020643023_100102657272 [1,1,0,0,0,0|2,0,0]=4 1397 B7R0.3 CCCNC(=O)NC 273464a_100102657272_100020643023 [1,1,0,0,0,0|2,0,0]=4 1398 B7R0.3 CCCNC(=O)NC 512a_100020643023_100102657272 [1,1,0,0,0,0|2,0,0]=4 1399 B7R0.3 CCCNC(=O)NC 512a_106832991638_100020643023 [1,1,0,0,0,0|2,0,0]=4 1400 B7R0.3 CCCOC(C)CC 34a_100000210258_100011215416 [1,1,0,0,0,0|1,0,1]=4 1401 B7R0.3 CCCOC(C)CC 7a_100000210228_100000210303 [1,1,0,0,0,0|1,0,1]=4 1402 B7R0.3 CCN(C)CCSC 2230a_100000225621_100000751147 [1,1,0,0,0,0|2,0,0]=4 1403 B7R0.3 CCN(C)CCSC 2230a_100000686725_100000210202 [1,1,0,0,0,0|2,0,0]=4 1404 B7R0.3 CCN(C)CCSC 269982a_100000225621_100000212216 [1,1,0,0,0,0|2,0,0]=4 1405 B7R0.3 CCN(C)CCSC 269982a_100000686725_100000204670 [1,1,0,0,0,0|2,0,0]=4 1406 B7R0.3 CCNCC(=O)NC 2230a_100000693194_100000210202 [1,1,0,0,0,0|2,0,0]=4 1407 B7R0.3 CCNCC(=O)NC 2230a_100015525214_100000183359 [1,1,0,0,0,0|2,0,0]=4 1408 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [1,1,0,0,0,0|1,0,0]=3 1409 B7R0.3 CCNNC(=O)CC 22a_100000756455_100000210414 [1,1,0,0,0,0|1,0,0]=3 1410 B7R0.3 CCNNC(=O)CO 22a_100000756455_100000210174 [1,1,0,0,0,0|1,1,0]=4 1411 B7R0.3 CCNNC(=O)NC 273464a_100102657272_100000756455 [1,1,0,0,0,0|2,0,0]=4 1412 B7R0.3 CCNNC(=O)NC 512a_100000756455_100102657272 [1,1,0,0,0,0|2,0,0]=4 1413 B7R0.3 CCNNC(=O)NC 512a_106832991638_100000756455 [1,1,0,0,0,0|2,0,0]=4 1414 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [1,1,0,0,0,0|0,0,0]=2 1415 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [1,1,0,0,0,0|0,0,0]=2 1416 B7R0.3 CCOCC(=O)CF 1458a_100000211967_100015361967 [1,1,0,0,0,0|1,0,0]=3 1417 B7R0.3 CCOCC(=O)NC 11a_106832991635_100000211967 [1,1,0,0,0,0|1,0,0]=3 1418 B7R0.3 CCOCC(=O)NC 1626a_100102657272_100000211967 [1,1,0,0,0,0|1,0,0]=3 1419 B7R0.3 CCOCC(=O)NC 240690a_100102657272_100000211967 [1,1,0,0,0,0|1,0,0]=3 1420 B7R0.3 CCOCC(=O)NC 34a_100000750040_100000210202 [1,1,0,0,0,0|1,0,0]=3 1421 B7R0.3 CCOCC(=O)NC 34a_100121572206_100000183359 [1,1,0,0,0,0|1,0,0]=3 1422 B7R0.3 CCOCC(=O)NC 527a_100102657272_100000211967 [1,1,0,0,0,0|1,0,0]=3 1423 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [1,1,0,0,0,0|1,0,0]=3 1424 B7R0.3 CCOCC(C)CC 34a_100121572206_100000748023 [1,1,0,0,0,0|1,0,1]=4 1425 B7R0.3 CCOCC(O)CC 34a_100121572206_100011218378 [1,1,0,0,0,0|0,0,2]=4 1426 B7R0.3 CCOCN(C)CC 269982a_100000225621_100000739092 [1,1,0,0,0,0|2,0,0]=4 1427 B7R0.3 CCOC[C@@H](C)CC 34a_100121572206_100009816398 [1,1,0,0,0,0|1,0,1]=4 1428 B7R0.3 CCOC[C@@H](C)CC 7a_100009816381_100000210202 [1,1,0,0,0,0|1,0,1]=4 1429 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [1,1,0,0,0,0|0,1,0]=3 1430 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [1,1,0,0,0,0|0,1,0]=3 1431 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [1,1,0,0,0,0|0,1,0]=3 1432 B7R0.3 CCSCC(=O)CF 1458a_100000230394_100015361967 [1,1,0,0,0,0|1,1,0]=4 1433 B7R0.3 CCSCC(=O)NC 11a_106832991635_100000230394 [1,1,0,0,0,0|1,1,0]=4 1434 B7R0.3 CCSCC(=O)NC 1626a_100102657272_100000230394 [1,1,0,0,0,0|1,1,0]=4 1435 B7R0.3 CCSCC(=O)NC 240690a_100102657272_100000230394 [1,1,0,0,0,0|1,1,0]=4 1436 B7R0.3 CCSCC(=O)NC 527a_100102657272_100000230394 [1,1,0,0,0,0|1,1,0]=4 1437 B7R0.3 CCSCC(=O)NC 62a_100000183359_100000210202 [1,1,0,0,0,0|1,1,0]=4 1438 B7R0.3 CCSCC(=O)NC 62a_100000210202_100000183359 [1,1,0,0,0,0|1,1,0]=4 1439 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [1,1,0,0,0,0|1,0,0]=3 1440 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [1,1,0,0,0,0|1,0,0]=3 1441 B7R0.3 CNC(=O)CCC#N 11a_106832991635_100011934036 [1,1,0,0,0,0|2,0,0]=4 1442 B7R0.3 CNC(=O)CCC#N 1626a_100102657272_100011934036 [1,1,0,0,0,0|2,0,0]=4 1443 B7R0.3 CNC(=O)CCC#N 240690a_100102657272_100011934036 [1,1,0,0,0,0|2,0,0]=4 1444 B7R0.3 CNC(=O)CCC#N 527a_100102657272_100011934036 [1,1,0,0,0,0|2,0,0]=4 1445 B7R0.3 CNC(=O)CCN[13CH3] 2230a_100000738227_200025704644 [1,1,0,0,0,0|2,0,0]=4 1446 B7R0.3 CNC(=O)CCN[13CH3] 34a_100000738227_200025704644 [1,1,0,0,0,0|2,0,0]=4 1447 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [1,1,0,0,0,0|1,1,0]=4 1448 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [1,1,0,0,0,0|1,1,0]=4 1449 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [1,1,0,0,0,0|1,1,0]=4 1450 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [1,1,0,0,0,0|1,1,0]=4 1451 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [1,1,0,0,0,0|1,1,0]=4 1452 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [1,1,0,0,0,0|1,1,0]=4 1453 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [1,1,0,0,0,0|1,1,0]=4 1454 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [1,1,0,0,0,0|1,0,0]=3 1455 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [1,1,0,0,0,0|1,0,0]=3 1456 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [1,1,0,0,0,0|1,0,0]=3 1457 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [1,1,0,0,0,0|1,0,0]=3 1458 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [1,1,0,0,0,0|1,0,0]=3 1459 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [1,1,0,0,0,0|1,0,0]=3 1460 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [1,1,0,0,0,0|1,0,0]=3 1461 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [1,1,0,0,0,0|1,0,0]=3 1462 B7R0.3 CNC(=O)COCF 34a_100000750040_100015361967 [1,1,0,0,0,0|2,0,0]=4 1463 B7R0.3 CNC(=O)CSCF 62a_100000183359_100015361967 [1,1,0,0,0,0|2,0,0]=4 1464 B7R0.3 CNC(=O)CSCF 62a_100015361967_100000183359 [1,1,0,0,0,0|2,0,0]=4 1465 B7R0.3 CNC(=O)NCCF 2708a_100102657272_100000724931 [1,1,0,0,0,0|2,0,0]=4 1466 B7R0.3 CNC(=O)NCCF 273464a_100000724931_100102657272 [1,1,0,0,0,0|2,0,0]=4 1467 B7R0.3 CNC(=O)NCCF 273464a_100102657272_100000724931 [1,1,0,0,0,0|2,0,0]=4 1468 B7R0.3 CNC(=O)NCCF 512a_106832991638_100000724931 [1,1,0,0,0,0|2,0,0]=4 1469 B7R0.3 CNC(=O)NCCO 2708a_100102657272_100000210304 [1,1,0,0,0,0|1,1,0]=4 1470 B7R0.3 CNC(=O)NCCO 273464a_100000210304_100102657272 [1,1,0,0,0,0|1,1,0]=4 1471 B7R0.3 CNC(=O)NCCO 273464a_100102657272_100000210304 [1,1,0,0,0,0|1,1,0]=4 1472 B7R0.3 CNC(=O)NCCO 512a_106832991638_100000210304 [1,1,0,0,0,0|1,1,0]=4 1473 B7R0.3 CNCCC(=O)NC 2230a_100000738227_200000210301 [1,1,0,0,0,0|2,0,0]=4 1474 B7R0.3 CNCCC(=O)NC 2230a_106832991635_100000737683 [1,1,0,0,0,0|2,0,0]=4 1475 B7R0.3 CNCCC(=O)NC 34a_100000738227_200000210301 [1,1,0,0,0,0|2,0,0]=4 1476 B7R0.3 CNCCC(=O)NC 34a_100102657272_100012179268 [1,1,0,0,0,0|2,0,0]=4 1477 B7R0.3 CNCCC(=O)NC 7a_106832991635_100000737683 [1,1,0,0,0,0|2,0,0]=4 1478 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [1,1,0,0,0,0|1,0,0]=3 1479 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [1,1,0,0,0,0|1,0,0]=3 1480 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [1,1,0,0,0,0|1,0,0]=3 1481 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [1,1,0,0,0,0|0,0,0]=2 1482 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [1,1,0,0,0,0|0,0,0]=2 1483 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [1,1,0,0,0,0|0,0,0]=2 1484 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [1,1,0,0,0,0|0,0,0]=2 1485 B7R0.3 COC(=O)CSCF 62a_100000747449_100015361967 [1,1,0,0,0,0|1,0,0]=3 1486 B7R0.3 COC(=O)CSCF 62a_100015361967_100000747449 [1,1,0,0,0,0|1,0,0]=3 1487 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [1,1,0,0,0,0|1,0,0]=3 1488 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [1,1,0,0,0,0|1,0,0]=3 1489 B7R0.3 COCCC(=O)CF 1458a_100000749529_100015361967 [1,1,0,0,0,0|1,1,0]=4 1490 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [1,1,0,0,0,0|1,1,0]=4 1491 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [1,1,0,0,0,0|0,1,0]=3 1492 B7R0.3 CSCCC(=O)CF 1458a_100000174002_100015361967 [1,1,0,0,0,0|1,0,0]=3 1493 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [1,1,0,0,0,0|1,0,0]=3 1494 B7R0.3 N#CCCC(=O)CF 1458a_100011934036_100015361967 [1,1,0,0,0,0|2,0,0]=4 1495 B7R0.3 N#CCCC(=O)CO 1458a_100000210174_100011215226 [1,1,0,0,0,0|2,0,0]=4 1496 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [1,1,0,0,0,0|1,1,0]=4 1497 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [1,1,0,0,0,0|1,1,0]=4 1498 B7R0.3 O=C(CO)NCCF 240690a_100000724931_100000210174 [1,1,0,0,0,0|1,1,0]=4 1499 B7R0.3 O=C(CO)NCCF 527a_100000724931_100000210174 [1,1,0,0,0,0|1,1,0]=4 1500 B7R0.3 O=C(CO)NCCO 240690a_100000210304_100000210174 [1,1,0,0,0,0|1,1,0]=4 1501 B7R0.3 O=C(CO)NCCO 527a_100000210304_100000210174 [1,1,0,0,0,0|1,1,0]=4 1502 B7R0.5 C#CCC(=O)C(C)C 1458a_100000210198_100000184674 [1,1,0,0,0,0|1,0,1]=4 1503 B7R0.5 C#CCC(=O)C(C)C 1458a_100011220946_100000210206 [1,1,0,0,0,0|1,0,1]=4 1504 B7R0.5 C#CCC(=O)C(C)F 1458a_100000062450_100000184674 [1,1,0,0,0,0|1,0,1]=4 1505 B7R0.5 C#CCC(=O)[C@@H](C)O 1458a_100000717761_100000184674 [1,1,0,0,0,0|1,0,1]=4 1506 B7R0.5 C#CCC(=O)[C@H](C)O 1458a_217856618621_100000184674 [1,1,0,0,0,0|1,0,1]=4 1507 B7R0.5 C=C(C)C(=O)CCC 1458a_100000185857_100000210303 [1,1,0,0,0,0|1,0,1]=4 1508 B7R0.5 C=C(C)C(=O)CCF 1458a_100000185857_100011217306 [1,1,0,0,0,0|1,0,1]=4 1509 B7R0.5 C=C(C)C(=O)CCO 1458a_100000185857_100000211926 [1,1,0,0,0,0|0,1,1]=4 1510 B7R0.5 C=C(C)C(=O)NCC 11a_100015525214_100000185857 [1,1,0,0,0,0|1,0,1]=4 1511 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210193_100000210206 [1,1,0,0,0,0|1,0,1]=4 1512 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210198_100000210623 [1,1,0,0,0,0|1,0,1]=4 1513 B7R0.5 C=CCC(=O)C(C)F 1458a_100000062450_100000210623 [1,1,0,0,0,0|1,0,1]=4 1514 B7R0.5 C=CCC(=O)[C@@H](C)O 1458a_100000717761_100000210623 [1,1,0,0,0,0|1,0,1]=4 1515 B7R0.5 C=CCC(=O)[C@H](C)O 1458a_217856618621_100000210623 [1,1,0,0,0,0|1,0,1]=4 1516 B7R0.5 CC#CC(=O)C(C)C 1458a_100000763181_100000210206 [1,1,0,0,0,0|1,0,1]=4 1517 B7R0.5 CC(C)C(=O)CC#N 1458a_100000210198_100011214920 [1,1,0,0,0,0|1,0,1]=4 1518 B7R0.5 CC(C)C(=O)CC#N 1458a_100051588842_100000210206 [1,1,0,0,0,0|1,0,1]=4 1519 B7R0.5 CC(C)C(=O)CCF 1458a_100000210198_100011217306 [1,1,0,0,0,0|1,0,0]=3 1520 B7R0.5 CC(C)C(=O)CCO 1458a_100000210198_100000211926 [1,1,0,0,0,0|0,1,0]=3 1521 B7R0.5 CC(C)C(=O)CCO 1458a_100011216618_100000210206 [1,1,0,0,0,0|0,1,0]=3 1522 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_100000753385_200025704644 [1,1,0,0,0,0|2,0,0]=4 1523 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_200025704644_100000753385 [1,1,0,0,0,0|2,0,0]=4 1524 B7R0.5 CC(F)C(=O)CC#N 1458a_100000062450_100011214920 [1,1,0,0,0,0|1,0,1]=4 1525 B7R0.5 CC(F)C(=O)CCF 1458a_100000062450_100011217306 [1,1,0,0,0,0|1,0,0]=3 1526 B7R0.5 CC(F)C(=O)CCO 1458a_100000062450_100000211926 [1,1,0,0,0,0|0,1,0]=3 1527 B7R0.5 CC=CC(=O)C(C)C 1458a_100000210699_100000210206 [1,1,0,0,0,0|1,0,1]=4 1528 B7R0.5 CCCC(=O)C(C)C 1458a_100000210198_100000210303 [1,1,0,0,0,0|1,0,0]=3 1529 B7R0.5 CCCC(=O)C(C)C 1458a_100000211992_100000210206 [1,1,0,0,0,0|1,0,0]=3 1530 B7R0.5 CCCC(=O)C(C)F 1458a_100000062450_100000210303 [1,1,0,0,0,0|1,0,0]=3 1531 B7R0.5 CCCC(=O)C(O)O 1458a_100000233687_100000210303 [1,1,0,0,0,0|1,1,0]=4 1532 B7R0.5 CCCC(=O)N(C)C 11a_100102631434_100000211992 [1,1,0,0,0,0|2,0,0]=4 1533 B7R0.5 CCCC(=O)N(C)C 1626a_100102631434_100000211992 [1,1,0,0,0,0|2,0,0]=4 1534 B7R0.5 CCCC(=O)N(C)C 240690a_100102631434_100000211992 [1,1,0,0,0,0|2,0,0]=4 1535 B7R0.5 CCCC(=O)N(C)C 527a_100102631434_100000211992 [1,1,0,0,0,0|2,0,0]=4 1536 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [1,1,0,0,0,0|1,0,0]=3 1537 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [1,1,0,0,0,0|1,0,0]=3 1538 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [1,1,0,0,0,0|1,0,1]=4 1539 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [1,1,0,0,0,0|1,0,1]=4 1540 B7R0.5 CCNC(=O)C(C)C 11a_100015525214_100000210198 [1,1,0,0,0,0|1,0,0]=3 1541 B7R0.5 CCNC(=O)C(C)C 240690a_100015525214_100000210198 [1,1,0,0,0,0|1,0,0]=3 1542 B7R0.5 CCNC(=O)C(C)C 527a_100015525214_100000210198 [1,1,0,0,0,0|1,0,0]=3 1543 B7R0.5 CCNC(=O)C(C)F 11a_100015525214_100000062450 [1,1,0,0,0,0|1,0,0]=3 1544 B7R0.5 CCNC(=O)C(C)F 240690a_100015525214_100000062450 [1,1,0,0,0,0|1,0,0]=3 1545 B7R0.5 CCNC(=O)C(C)F 527a_100015525214_100000062450 [1,1,0,0,0,0|1,0,0]=3 1546 B7R0.5 CCNC(=O)C(F)F 11a_100015525214_100000210393 [1,1,0,0,0,0|2,0,0]=4 1547 B7R0.5 CCNC(=O)C(F)F 240690a_100015525214_100000210393 [1,1,0,0,0,0|2,0,0]=4 1548 B7R0.5 CCNC(=O)C(F)F 527a_100015525214_100000210393 [1,1,0,0,0,0|2,0,0]=4 1549 B7R0.5 CCNC(=O)C(O)O 240690a_100015525214_100000233687 [1,1,0,0,0,0|1,1,0]=4 1550 B7R0.5 CCNC(=O)N(C)C 2708a_100015525214_100102631434 [1,1,0,0,0,0|2,0,0]=4 1551 B7R0.5 CCNC(=O)[C@@H](C)O 240690a_100015525214_100000717761 [1,1,0,0,0,0|1,0,0]=3 1552 B7R0.5 CCNC(=O)[C@H](C)O 240690a_100015525214_217856618621 [1,1,0,0,0,0|1,0,0]=3 1553 B7R0.5 CCOC(C)C(C)C 7a_100000748068_100000210202 [1,1,0,0,0,0|1,0,1]=4 1554 B7R0.5 CN(C)C(=O)CCO 240690a_100102631434_100011216618 [1,1,0,0,0,0|1,1,0]=4 1555 B7R0.5 CNCC(=O)C(C)C 2230a_106832991635_100000753385 [1,1,0,0,0,0|2,0,0]=4 1556 B7R0.5 CNCC(=O)C(C)C 34a_100102657272_100000753385 [1,1,0,0,0,0|2,0,0]=4 1557 B7R0.5 CNCC(=O)C(C)C 7a_106832991635_100000753385 [1,1,0,0,0,0|2,0,0]=4 1558 B7R0.5 CNNC(=O)C(C)C 22a_100016993582_100000210198 [1,1,0,0,0,0|2,0,0]=4 1559 B7R0.5 CNNC(=O)C(C)F 22a_100016993582_100000062450 [1,1,0,0,0,0|2,0,0]=4 1560 B7R0.5 CNNC(=O)[C@@H](C)O 22a_100016993582_100000717761 [1,1,0,0,0,0|2,0,0]=4 1561 B7R0.5 CNNC(=O)[C@H](C)O 22a_100016993582_217856618621 [1,1,0,0,0,0|2,0,0]=4 1562 B7R0.5 COCC(=O)C(C)C 1458a_100000210968_100000210206 [1,1,0,0,0,0|2,0,0]=4 1563 B7R0.5 COCC(=O)C(C)C 34a_100138415774_100000753385 [1,1,0,0,0,0|2,0,0]=4 1564 B7R0.5 CSCC(=O)C(C)C 1458a_100000184570_100000210206 [1,1,0,0,0,0|2,0,0]=4 1565 B7R0.5 CSCC(=O)C(C)C 62a_100000753385_200000210301 [1,1,0,0,0,0|2,0,0]=4 1566 B7R0.5 CSCC(=O)C(C)C 62a_200000210301_100000753385 [1,1,0,0,0,0|2,0,0]=4 1567 B7R0.5 C[C@@H](O)C(=O)CC#N 1458a_100000717761_100011214920 [1,1,0,0,0,0|1,0,1]=4 1568 B7R0.5 C[C@@H](O)C(=O)CCF 1458a_100000717761_100011217306 [1,1,0,0,0,0|1,0,0]=3 1569 B7R0.5 C[C@@H](O)C(=O)CCO 1458a_100000717761_100000211926 [1,1,0,0,0,0|0,1,0]=3 1570 B7R0.5 C[C@H](O)C(=O)CC#N 1458a_217856618621_100011214920 [1,1,0,0,0,0|1,0,1]=4 1571 B7R0.5 C[C@H](O)C(=O)CCF 1458a_217856618621_100011217306 [1,1,0,0,0,0|1,0,0]=3 1572 B7R0.5 C[C@H](O)C(=O)CCO 1458a_217856618621_100000211926 [1,1,0,0,0,0|0,1,0]=3 1573 B7R0.5 O=C(CCF)C(O)O 1458a_100000233687_100011217306 [1,1,0,0,0,0|2,0,0]=4 1574 B7R0.5 O=C(CCO)C(O)O 1458a_100000233687_100000211926 [1,1,0,0,0,0|1,1,0]=4 1575 B7R0.10 C#CC(C)C(=O)CC 1458a_100000210414_200000035995 [1,1,0,0,0,0|1,0,1]=4 1576 B7R0.10 C/C=C(\C)/C(=O)CC 1458a_100020587367_100000210202 [1,1,0,0,0,0|1,0,1]=4 1577 B7R0.10 C=CC(C)C(=O)CC 1458a_100011216780_100000210202 [1,1,0,0,0,0|1,0,1]=4 1578 B7R0.10 CCC(=O)C(=O)NC 1458a_100011218921_100000210202 [1,1,0,0,0,0|2,0,0]=4 1579 B7R0.10 CCC(=O)C(C)C#N 1458a_100000210414_100000703298 [1,1,0,0,0,0|1,0,1]=4 1580 B7R0.10 CCC(=O)C(C)C#N 1458a_100000753662_100000210202 [1,1,0,0,0,0|1,0,1]=4 1581 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [1,1,0,0,0,0|1,0,0]=3 1582 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [1,1,0,0,0,0|1,0,0]=3 1583 B7R0.10 CCC(=O)C(C)NC 2230a_106832991635_100000742827 [1,1,0,0,0,0|2,0,0]=4 1584 B7R0.10 CCC(=O)C(C)NC 7a_106832991635_100000742827 [1,1,0,0,0,0|2,0,0]=4 1585 B7R0.10 CCC(=O)C(C)OC 1458a_100000743197_100000210202 [1,1,0,0,0,0|2,0,0]=4 1586 B7R0.10 CCC(=O)C(C)SC 1458a_100000149566_100000210202 [1,1,0,0,0,0|2,0,0]=4 1587 B7R0.10 CCC(=O)C(C)SC 62a_100000742827_200000210301 [1,1,0,0,0,0|2,0,0]=4 1588 B7R0.10 CCC(=O)C(C)SC 62a_200000210301_100000742827 [1,1,0,0,0,0|2,0,0]=4 1589 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_100000742827_200025704644 [1,1,0,0,0,0|2,0,0]=4 1590 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_200025704644_100000742827 [1,1,0,0,0,0|2,0,0]=4 1591 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [1,1,0,0,0,0|1,0,0]=3 1592 B7R0.10 CCC(=O)C(O)CO 1458a_100011215603_100000210202 [1,1,0,0,0,0|0,1,0]=3 1593 B7R0.10 CCC(=O)N(C)CC 11a_100000225621_100000210414 [1,1,0,0,0,0|1,0,0]=3 1594 B7R0.10 CCC(=O)N(C)CC 1626a_100000225621_100000210414 [1,1,0,0,0,0|1,0,0]=3 1595 B7R0.10 CCC(=O)N(C)CC 240690a_100000225621_100000210414 [1,1,0,0,0,0|1,0,0]=3 1596 B7R0.10 CCC(=O)N(C)CC 527a_100000225621_100000210414 [1,1,0,0,0,0|1,0,0]=3 1597 B7R0.10 CCC(C)C(=O)CF 1458a_100011192722_100015361967 [1,1,0,0,0,0|2,0,0]=4 1598 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [1,1,0,0,0,0|1,1,0]=4 1599 B7R0.10 CCC(C)C(=O)NC 11a_106832991635_100011192722 [1,1,0,0,0,0|2,0,0]=4 1600 B7R0.10 CCC(C)C(=O)NC 1626a_100102657272_100011192722 [1,1,0,0,0,0|2,0,0]=4 1601 B7R0.10 CCC(C)C(=O)NC 240690a_100102657272_100011192722 [1,1,0,0,0,0|2,0,0]=4 1602 B7R0.10 CCC(C)C(=O)NC 527a_100102657272_100011192722 [1,1,0,0,0,0|2,0,0]=4 1603 B7R0.10 CCC(O)C(=O)CF 1458a_100011196387_100015361967 [1,1,0,0,0,0|2,0,0]=4 1604 B7R0.10 CCC(O)C(=O)NC 240690a_100102657272_100011196387 [1,1,0,0,0,0|2,0,0]=4 1605 B7R0.10 CCN(C)C(=O)CO 240690a_100000225621_100000210174 [1,1,0,0,0,0|1,1,0]=4 1606 B7R0.10 CCN(C)C(=O)CO 527a_100000225621_100000210174 [1,1,0,0,0,0|1,1,0]=4 1607 B7R0.10 CCN(C)C(=O)NC 2708a_100102657272_100000225621 [1,1,0,0,0,0|2,0,0]=4 1608 B7R0.10 CCN(C)C(=O)NC 273464a_100102657272_100000225621 [1,1,0,0,0,0|2,0,0]=4 1609 B7R0.10 CNC(=O)C(O)CO 240690a_100102657272_100011215603 [1,1,0,0,0,0|1,1,0]=4 1610 B7R0.10 CNC(C)C(=O)OC 2230a_106832991635_100000211248 [1,1,0,0,0,0|2,0,0]=4 1611 B7R0.10 CNC(C)C(=O)OC 34a_100102657272_100000211248 [1,1,0,0,0,0|2,0,0]=4 1612 B7R0.10 CNC(C)C(=O)OC 7a_106832991635_100000211248 [1,1,0,0,0,0|2,0,0]=4 1613 B7R0.10 COC(=O)C(C)OC 34a_100011215400_200000210301 [1,1,0,0,0,0|2,0,0]=4 1614 B7R0.10 COC(=O)C(C)OC 34a_100138415774_100000211248 [1,1,0,0,0,0|2,0,0]=4 1615 B7R0.10 COC(=O)C(C)O[13CH3] 34a_100011215400_200025704644 [1,1,0,0,0,0|2,0,0]=4 1616 B7R0.10 COC(=O)C(C)SC 62a_100000211248_200000210301 [1,1,0,0,0,0|2,0,0]=4 1617 B7R0.10 COC(=O)C(C)SC 62a_200000210301_100000211248 [1,1,0,0,0,0|2,0,0]=4 1618 B7R0.10 COC(=O)C(C)S[13CH3] 62a_100000211248_200025704644 [1,1,0,0,0,0|2,0,0]=4 1619 B7R0.10 COC(=O)C(C)S[13CH3] 62a_200025704644_100000211248 [1,1,0,0,0,0|2,0,0]=4 1620 B7R0.10 O=C(CF)C(O)CO 1458a_100011215603_100015361967 [1,1,0,0,0,0|1,1,0]=4 1621 B7R0.11 CCNS(=O)(=O)CC 270084a_100015525214_100000211323 [1,1,0,0,0,0|2,0,0]=4 1622 B7R0.11 CCNS(=O)(=O)CC 274078a_100015525214_100000211323 [1,1,0,0,0,0|2,0,0]=4 1623 B7R0.11 CCNS(=O)(=O)CC 40a_100015525214_100000053943 [1,1,0,0,0,0|2,0,0]=4 1624 B7R0.11 CCOC(C)(C)CC 7a_100000210230_100000210202 [1,1,0,0,0,0|1,0,1]=4 1625 B7R0.12 C#CC(CC)OCC 34a_100000758843_100000210202 [1,1,0,0,0,0|1,0,1]=4 1626 B7R0.12 C#CC(CC)OCC 7a_100000758843_100000210202 [1,1,0,0,0,0|1,0,1]=4 1627 B7R0.12 C=CC(CC)OCC 34a_100000766422_100000210202 [1,1,0,0,0,0|1,0,1]=4 1628 B7R0.12 C=CC(CC)OCC 7a_100000766422_100000210202 [1,1,0,0,0,0|1,0,1]=4 1629 B7R0.12 CCOC(CC)CC 7a_100000688536_100000210202 [1,1,0,0,0,0|1,0,1]=4 1630 B7R0.1 C#CCCCOCC 34a_100000215630_100000210202 [1,1,0,0,0,0|1,0,1]=4 1631 B7R0.1 C#CCCCOCC 34a_100121572206_100000695029 [1,1,0,0,0,0|1,0,1]=4 1632 B7R0.1 C#CCCCOCC 7a_100000215630_100000210202 [1,1,0,0,0,0|1,0,1]=4 1633 B7R0.1 C=CCCCOCC 34a_100000758997_100000210202 [1,1,0,0,0,0|1,0,1]=4 1634 B7R0.1 C=CCCCOCC 34a_100121572206_100000757094 [1,1,0,0,0,0|1,0,1]=4 1635 B7R0.1 C=CCCCOCC 7a_100000758997_100000210202 [1,1,0,0,0,0|1,0,1]=4 1636 B7R0.1 CC/C=C\CCNC 2230a_106832991635_100015370543 [1,1,0,0,0,0|2,0,0]=4 1637 B7R0.1 CC/C=C\CCNC 34a_100102657272_100015370543 [1,1,0,0,0,0|2,0,0]=4 1638 B7R0.1 CC/C=C\CCNC 7a_106832991635_100015370543 [1,1,0,0,0,0|2,0,0]=4 1639 B7R0.1 CC/C=C\CCOC 34a_100016288707_200000210301 [1,1,0,0,0,0|1,1,0]=4 1640 B7R0.1 CC/C=C\CCOC 34a_100138415774_100015370543 [1,1,0,0,0,0|1,1,0]=4 1641 B7R0.1 CC/C=C\CCOC 7a_100016288707_200000210301 [1,1,0,0,0,0|1,1,0]=4 1642 B7R0.1 CC/C=C\CCO[13CH3] 34a_100016288707_200025704644 [1,1,0,0,0,0|1,1,0]=4 1643 B7R0.1 CC/C=C\CCO[13CH3] 7a_100016288707_200025704644 [1,1,0,0,0,0|1,1,0]=4 1644 B7R0.1 CC/C=C\CCSC 62a_100015370543_200000210301 [1,1,0,0,0,0|1,0,0]=3 1645 B7R0.1 CC/C=C\CCSC 62a_200000210301_100015370543 [1,1,0,0,0,0|1,0,0]=3 1646 B7R0.1 CC/C=C\CCS[13CH3] 62a_100015370543_200025704644 [1,1,0,0,0,0|1,0,0]=3 1647 B7R0.1 CC/C=C\CCS[13CH3] 62a_200025704644_100015370543 [1,1,0,0,0,0|1,0,0]=3 1648 B7R0.1 CC/C=C\CNCC 2230a_100015525214_100103147603 [1,1,0,0,0,0|2,0,0]=4 1649 B7R0.1 CC/C=C\COCC 34a_100016268518_100000210202 [1,1,0,0,0,0|1,0,1]=4 1650 B7R0.1 CC/C=C\COCC 34a_100121572206_100103147603 [1,1,0,0,0,0|1,0,1]=4 1651 B7R0.1 CC/C=C\COCF 34a_100016268518_100015361967 [1,1,0,0,0,0|2,0,0]=4 1652 B7R0.1 CC/C=C\CSCC 62a_100000210202_100103147603 [1,1,0,0,0,0|2,0,0]=4 1653 B7R0.1 CC/C=C\CSCC 62a_100103147603_100000210202 [1,1,0,0,0,0|2,0,0]=4 1654 B7R0.1 CC/C=C\CSCF 62a_100015361967_100103147603 [1,1,0,0,0,0|2,0,0]=4 1655 B7R0.1 CC/C=C\CSCF 62a_100103147603_100015361967 [1,1,0,0,0,0|2,0,0]=4 1656 B7R0.1 CCC/C=C/COC 34a_100016278788_200000210301 [1,1,0,0,0,0|2,0,0]=4 1657 B7R0.1 CCC/C=C/COC 7a_100016278788_200000210301 [1,1,0,0,0,0|2,0,0]=4 1658 B7R0.1 CCC/C=C/CO[13CH3] 34a_100016278788_200025704644 [1,1,0,0,0,0|2,0,0]=4 1659 B7R0.1 CCC/C=C/CO[13CH3] 7a_100016278788_200025704644 [1,1,0,0,0,0|2,0,0]=4 1660 B7R0.1 CCCC=NNCC 4a_100000756455_100000185831 [1,1,0,0,0,0|2,0,0]=4 1661 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [1,1,0,0,0,0|1,0,1]=4 1662 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [1,1,0,0,0,0|1,0,1]=4 1663 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [1,1,0,0,0,0|1,0,1]=4 1664 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [1,1,0,0,0,0|1,0,1]=4 1665 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [1,1,0,0,0,0|1,0,1]=4 1666 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [1,1,0,0,0,0|1,0,1]=4 1667 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [1,1,0,0,0,0|1,0,1]=4 1668 B7R0.1 CCCCOCCBr 34a_100000211926_100000210210 [1,1,0,0,0,0|1,0,1]=4 1669 B7R0.1 CCCCOCCC 34a_100000210227_100000210303 [1,1,0,0,0,0|1,0,1]=4 1670 B7R0.1 CCCCOCCC 34a_100000210258_100000210210 [1,1,0,0,0,0|1,0,1]=4 1671 B7R0.1 CCCCOCCC 7a_100000210227_100000210303 [1,1,0,0,0,0|1,0,1]=4 1672 B7R0.1 CCCCOCCF 34a_100000210227_100011217306 [1,1,0,0,0,0|1,0,1]=4 1673 B7R0.1 CCCCOCCF 7a_100000210227_100011217306 [1,1,0,0,0,0|1,0,1]=4 1674 B7R0.1 CCCCOCCN 34a_100000210304_100000210210 [1,1,0,0,0,0|1,0,1]=4 1675 B7R0.1 CCCCOCCO 34a_100000210227_100000211926 [1,1,0,0,0,0|1,0,1]=4 1676 B7R0.1 CCCCOCCO 7a_100000210227_100000211926 [1,1,0,0,0,0|1,0,1]=4 1677 B7R0.1 CCCCOCNC 2230a_106832991635_100011995733 [1,1,0,0,0,0|1,0,1]=4 1678 B7R0.1 CCCCOCNC 34a_100102657272_100011995733 [1,1,0,0,0,0|1,0,1]=4 1679 B7R0.1 CCCCOCOC 34a_100138415774_100011995733 [1,1,0,0,0,0|1,0,1]=4 1680 B7R0.1 CCCCOCSC 34a_100000210227_100011218213 [1,1,0,0,0,0|1,0,1]=4 1681 B7R0.1 CCCCOCSC 62a_100011995733_200000210301 [1,1,0,0,0,0|1,0,1]=4 1682 B7R0.1 CCCCOCSC 62a_200000210301_100011995733 [1,1,0,0,0,0|1,0,1]=4 1683 B7R0.1 CCCCOCS[13CH3] 62a_100011995733_200025704644 [1,1,0,0,0,0|1,0,1]=4 1684 B7R0.1 CCCCOCS[13CH3] 62a_200025704644_100011995733 [1,1,0,0,0,0|1,0,1]=4 1685 B7R0.1 CCCNCCSC 2230a_100020590264_100000210303 [1,1,0,0,0,0|2,0,0]=4 1686 B7R0.1 CCCOCCCBr 34a_100011217188_100000210303 [1,1,0,0,0,0|1,0,1]=4 1687 B7R0.1 CCCOCCCCl 34a_100000230001_100000210303 [1,1,0,0,0,0|1,0,1]=4 1688 B7R0.1 CCCOCCCF 34a_100000210258_100011934791 [1,1,0,0,0,0|1,0,1]=4 1689 B7R0.1 CCCOCCCF 34a_100000759539_100000210303 [1,1,0,0,0,0|1,0,1]=4 1690 B7R0.1 CCCOCCCN 34a_100000182051_100000210303 [1,1,0,0,0,0|1,0,1]=4 1691 B7R0.1 CCCOCCCO 34a_100000210258_100000230001 [1,1,0,0,0,0|0,1,1]=4 1692 B7R0.1 CCCOCCSC 34a_100000210258_100000212216 [1,1,0,0,0,0|2,0,0]=4 1693 B7R0.1 CCCOCCSC 34a_100000230434_100000210303 [1,1,0,0,0,0|2,0,0]=4 1694 B7R0.1 CCCOCCSC 62a_100011215938_200000210301 [1,1,0,0,0,0|2,0,0]=4 1695 B7R0.1 CCCOCCSC 62a_200000210301_100011215938 [1,1,0,0,0,0|2,0,0]=4 1696 B7R0.1 CCCOCCSC 7a_100000230434_100000210303 [1,1,0,0,0,0|2,0,0]=4 1697 B7R0.1 CCCOCCS[13CH3] 62a_100011215938_200025704644 [1,1,0,0,0,0|2,0,0]=4 1698 B7R0.1 CCCOCCS[13CH3] 62a_200025704644_100011215938 [1,1,0,0,0,0|2,0,0]=4 1699 B7R0.1 CCCSCCSC 62a_100000210303_100000751147 [1,1,0,0,0,0|2,0,0]=4 1700 B7R0.1 CCCSCCSC 62a_100000212216_100000210303 [1,1,0,0,0,0|2,0,0]=4 1701 B7R0.1 CCCSCOCC 62a_100000210303_100000739092 [1,1,0,0,0,0|1,0,1]=4 1702 B7R0.1 CCCSCOCC 62a_100000739092_100000210303 [1,1,0,0,0,0|1,0,1]=4 1703 B7R0.1 CCNCCCSC 2230a_100000749238_100000210202 [1,1,0,0,0,0|1,0,1]=4 1704 B7R0.1 CCNCCOCC 2230a_100015525214_100011215890 [1,1,0,0,0,0|1,0,1]=4 1705 B7R0.1 CCNCCOCC 2230a_102516460346_100000210202 [1,1,0,0,0,0|1,0,1]=4 1706 B7R0.1 CCNCCOCC 34a_102516460346_100000210202 [1,1,0,0,0,0|1,0,1]=4 1707 B7R0.1 CCOCCCCBr 34a_100011216708_100000210202 [1,1,0,0,0,0|1,0,1]=4 1708 B7R0.1 CCOCCCCCl 34a_100000210776_100000210202 [1,1,0,0,0,0|1,0,1]=4 1709 B7R0.1 CCOCCCCCl 7a_100000210776_100000210202 [1,1,0,0,0,0|1,0,1]=4 1710 B7R0.1 CCOCCCCF 34a_100011995726_100000210202 [1,1,0,0,0,0|1,0,1]=4 1711 B7R0.1 CCOCCCCF 34a_100121572206_100000729493 [1,1,0,0,0,0|1,0,1]=4 1712 B7R0.1 CCOCCCCF 7a_100011995726_100000210202 [1,1,0,0,0,0|1,0,1]=4 1713 B7R0.1 CCOCCCCI 34a_200012148704_100000210202 [1,1,0,0,0,0|1,0,1]=4 1714 B7R0.1 CCOCCCCN 34a_100000750430_100000210202 [1,1,0,0,0,0|1,0,1]=4 1715 B7R0.1 CCOCCCCO 34a_100121572206_100011216708 [1,1,0,0,0,0|0,1,1]=4 1716 B7R0.1 CCOCCCNC 2230a_100000210961_200000210301 [1,1,0,0,0,0|1,0,1]=4 1717 B7R0.1 CCOCCCNC 2230a_106832991635_100012232248 [1,1,0,0,0,0|1,0,1]=4 1718 B7R0.1 CCOCCCNC 34a_100000210961_200000210301 [1,1,0,0,0,0|1,0,1]=4 1719 B7R0.1 CCOCCCNC 34a_100000213112_100000210202 [1,1,0,0,0,0|1,0,1]=4 1720 B7R0.1 CCOCCCNC 34a_100102657272_100012232248 [1,1,0,0,0,0|1,0,1]=4 1721 B7R0.1 CCOCCCNC 7a_106832991635_100012232248 [1,1,0,0,0,0|1,0,1]=4 1722 B7R0.1 CCOCCCN[13CH3] 2230a_100000210961_200025704644 [1,1,0,0,0,0|1,0,1]=4 1723 B7R0.1 CCOCCCN[13CH3] 34a_100000210961_200025704644 [1,1,0,0,0,0|1,0,1]=4 1724 B7R0.1 CCOCCCOC 34a_100000740835_100000210202 [1,1,0,0,0,0|0,1,1]=4 1725 B7R0.1 CCOCCCOC 34a_100000757476_200000210301 [1,1,0,0,0,0|0,1,1]=4 1726 B7R0.1 CCOCCCOC 34a_100121572206_100000740836 [1,1,0,0,0,0|0,1,1]=4 1727 B7R0.1 CCOCCCOC 34a_100138415774_100012232248 [1,1,0,0,0,0|0,1,1]=4 1728 B7R0.1 CCOCCCOC 7a_100000757476_200000210301 [1,1,0,0,0,0|0,1,1]=4 1729 B7R0.1 CCOCCCO[13CH3] 34a_100000757476_200025704644 [1,1,0,0,0,0|0,1,1]=4 1730 B7R0.1 CCOCCCO[13CH3] 7a_100000757476_200025704644 [1,1,0,0,0,0|0,1,1]=4 1731 B7R0.1 CCOCCCSC 34a_100000690336_100000210202 [1,1,0,0,0,0|0,0,1]=3 1732 B7R0.1 CCOCCCSC 62a_100012232248_200000210301 [1,1,0,0,0,0|0,0,1]=3 1733 B7R0.1 CCOCCCSC 62a_200000210301_100012232248 [1,1,0,0,0,0|0,0,1]=3 1734 B7R0.1 CCOCCCSC 7a_100000690336_100000210202 [1,1,0,0,0,0|0,0,1]=3 1735 B7R0.1 CCOCCCS[13CH3] 62a_100012232248_200025704644 [1,1,0,0,0,0|0,0,1]=3 1736 B7R0.1 CCOCCCS[13CH3] 62a_200025704644_100012232248 [1,1,0,0,0,0|0,0,1]=3 1737 B7R0.1 CCOCCNCF 34a_102516460346_100015361967 [1,1,0,0,0,0|1,0,1]=4 1738 B7R0.1 CCOCCOCC 34a_100000210136_100000210202 [1,1,0,0,0,0|1,0,1]=4 1739 B7R0.1 CCOCCOCC 34a_100121572206_100000210147 [1,1,0,0,0,0|1,0,1]=4 1740 B7R0.1 CCOCCOCC 7a_100000210136_100000210202 [1,1,0,0,0,0|1,0,1]=4 1741 B7R0.1 CCOCCOCF 34a_100000210136_100015361967 [1,1,0,0,0,0|1,0,1]=4 1742 B7R0.1 CCOCCOCF 7a_100000210136_100015361967 [1,1,0,0,0,0|1,0,1]=4 1743 B7R0.1 CCOCCSCC 34a_100000212035_100000210202 [1,1,0,0,0,0|1,0,1]=4 1744 B7R0.1 CCOCCSCC 34a_100121572206_100000757381 [1,1,0,0,0,0|1,0,1]=4 1745 B7R0.1 CCOCCSCC 62a_100000210147_100000210202 [1,1,0,0,0,0|1,0,1]=4 1746 B7R0.1 CCOCCSCC 62a_100000210202_100011215890 [1,1,0,0,0,0|1,0,1]=4 1747 B7R0.1 CCOCCSCC 7a_100000212035_100000210202 [1,1,0,0,0,0|1,0,1]=4 1748 B7R0.1 CCOCCSCF 62a_100000210147_100015361967 [1,1,0,0,0,0|1,0,1]=4 1749 B7R0.1 CCOCCSCF 62a_100015361967_100011215890 [1,1,0,0,0,0|1,0,1]=4 1750 B7R0.1 CCOCSCCF 62a_100000739092_100011217306 [1,1,0,0,0,0|1,0,1]=4 1751 B7R0.1 CCOCSCCF 62a_100011217306_100000739092 [1,1,0,0,0,0|1,0,1]=4 1752 B7R0.1 CCOCSCCO 62a_100000211926_100000739092 [1,1,0,0,0,0|0,1,1]=4 1753 B7R0.1 CCOCSCCO 62a_100000739092_100000211926 [1,1,0,0,0,0|0,1,1]=4 1754 B7R0.1 CCOCSCSC 62a_100000739092_100011218213 [1,1,0,0,0,0|1,0,1]=4 1755 B7R0.1 CCOCSCSC 62a_100011218213_100000739092 [1,1,0,0,0,0|1,0,1]=4 1756 B7R0.1 CSCCCOCF 34a_100000690336_100015361967 [1,1,0,0,0,0|1,0,1]=4 1757 B7R0.1 CSCCCOCF 7a_100000690336_100015361967 [1,1,0,0,0,0|1,0,1]=4 1758 B7R0.1 CSCOCCCBr 34a_100011217188_100011218213 [1,1,0,0,0,0|1,0,1]=4 1759 B7R0.1 CSCOCCCCl 34a_100000230001_100011218213 [1,1,0,0,0,0|1,0,1]=4 1760 B7R0.1 CSCOCCCF 34a_100000759539_100011218213 [1,1,0,0,0,0|1,0,1]=4 1761 B7R0.1 CSCOCCCN 34a_100000182051_100011218213 [1,1,0,0,0,0|1,0,1]=4 1762 B7R0.1 FCCCOCCBr 34a_100000211926_100011934791 [1,1,0,0,0,0|1,0,1]=4 1763 B7R0.1 FCCCOCCF 34a_100000759539_100011217306 [1,1,0,0,0,0|1,0,1]=4 1764 B7R0.1 FCCOCCCBr 34a_100011217188_100011217306 [1,1,0,0,0,0|1,0,1]=4 1765 B7R0.1 FCCOCCCCl 34a_100000230001_100011217306 [1,1,0,0,0,0|1,0,1]=4 1766 B7R0.1 NCCCOCCF 34a_100000182051_100011217306 [1,1,0,0,0,0|1,0,1]=4 1767 B7R0.1 NCCCOCCO 34a_100000182051_100000211926 [1,1,0,0,0,0|1,0,1]=4 1768 B7R0.1 NCCOCCCF 34a_100000210304_100011934791 [1,1,0,0,0,0|1,0,1]=4 1769 B7R0.1 NCCOCCCO 34a_100000210304_100000230001 [1,1,0,0,0,0|0,1,1]=4 1770 B7R0.1 OCCCOCCBr 34a_100000211926_100000230001 [1,1,0,0,0,0|0,1,1]=4 1771 B7R0.1 OCCOCCCBr 34a_100011217188_100000211926 [1,1,0,0,0,0|1,0,1]=4 1772 B7R0.1 OCCOCCCCl 34a_100000230001_100000211926 [1,1,0,0,0,0|1,0,1]=4 1773 B7R0.1 OCCOCCCF 34a_100000759539_100000211926 [1,1,0,0,0,0|1,0,1]=4 1774 B7R0.4 CC(C)OCCCBr 34a_100011217188_100000210206 [1,1,0,0,0,0|1,0,1]=4 1775 B7R0.4 CC(C)OCCCCl 34a_100000230001_100000210206 [1,1,0,0,0,0|1,0,1]=4 1776 B7R0.4 CC(C)OCCCF 34a_100000212225_100011934791 [1,1,0,0,0,0|1,0,1]=4 1777 B7R0.4 CC(C)OCCCF 34a_100000759539_100000210206 [1,1,0,0,0,0|1,0,1]=4 1778 B7R0.4 CC(C)OCCCN 34a_100000182051_100000210206 [1,1,0,0,0,0|1,0,1]=4 1779 B7R0.4 CC(C)OCCCO 34a_100000212225_100000230001 [1,1,0,0,0,0|0,1,1]=4 1780 B7R0.4 CCCCOC(C)C 34a_100000210227_100000210206 [1,1,0,0,0,0|1,0,1]=4 1781 B7R0.4 CCCCOC(C)C 34a_100000212225_100000210210 [1,1,0,0,0,0|1,0,1]=4 1782 B7R0.4 CCCCOC(C)C 7a_100000210227_100000210206 [1,1,0,0,0,0|1,0,1]=4 1783 B7R0.4 CCOCCC(C)Br 34a_100009893172_100000210202 [1,1,0,0,0,0|1,0,1]=4 1784 B7R0.4 CCOCCC(C)C 34a_100000210254_100000210202 [1,1,0,0,0,0|1,0,1]=4 1785 B7R0.4 CCOCCC(C)C 34a_100121572206_100000210312 [1,1,0,0,0,0|1,0,1]=4 1786 B7R0.4 CCOCCC(C)C 7a_100000210254_100000210202 [1,1,0,0,0,0|1,0,1]=4 1787 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [1,1,0,0,0,0|0,1,1]=4 1788 B7R0.4 CCOCCC(F)F 34a_100103093639_100000210202 [1,1,0,0,0,0|1,0,1]=4 1789 B7R0.4 CCOCC[C@@H](C)N 34a_100000706166_100000210202 [1,1,0,0,0,0|1,0,1]=4 1790 B9R0.4 C#CCCC(=O)CC(C)C 1458a_100000210554_100000753159 [0,2,0,0,0,0|2,0,0]=4 1791 B9R0.4 C#CCCC(=O)CC(C)C 1458a_100000692101_100000210624 [0,2,0,0,0,0|2,0,0]=4 1792 B9R0.4 C#CCCC(=O)CC(C)O 1458a_100000692101_100011218427 [0,2,0,0,0,0|2,0,0]=4 1793 B9R0.4 C#CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000753159 [0,2,0,0,0,0|2,0,0]=4 1794 B9R0.4 C#CCCC(=O)NC(C)C 11a_100138425928_100000692101 [0,2,0,0,0,0|2,0,0]=4 1795 B9R0.4 C#CCCC(=O)NC(C)C 1626a_100138425928_100000692101 [0,2,0,0,0,0|2,0,0]=4 1796 B9R0.4 C#CCCC(=O)NC(C)C 240690a_100138425928_100000692101 [0,2,0,0,0,0|2,0,0]=4 1797 B9R0.4 C#CCCC(=O)NC(C)C 527a_100138425928_100000692101 [0,2,0,0,0,0|2,0,0]=4 1798 B9R0.4 C=C(C)CC(=O)CCSC 1458a_100000174002_100000748629 [0,2,0,0,0,0|1,0,1]=4 1799 B9R0.4 C=C(C)CC(=O)COCC 1458a_100000211967_100000748629 [0,2,0,0,0,0|1,0,1]=4 1800 B9R0.4 C=C(F)CC(=O)COCC 1458a_100000211967_100009893438 [0,2,0,0,0,0|1,0,1]=4 1801 B9R0.4 C=CCCC(=O)CC(C)C 1458a_100000210554_100000754431 [0,2,0,0,0,0|2,0,0]=4 1802 B9R0.4 C=CCCC(=O)CC(C)C 1458a_100000749702_100000210624 [0,2,0,0,0,0|2,0,0]=4 1803 B9R0.4 C=CCCC(=O)CC(C)O 1458a_100000749702_100011218427 [0,2,0,0,0,0|2,0,0]=4 1804 B9R0.4 C=CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000754431 [0,2,0,0,0,0|2,0,0]=4 1805 B9R0.4 C=CCCC(=O)NC(C)C 11a_100138425928_100000749702 [0,2,0,0,0,0|2,0,0]=4 1806 B9R0.4 C=CCCC(=O)NC(C)C 1626a_100138425928_100000749702 [0,2,0,0,0,0|2,0,0]=4 1807 B9R0.4 C=CCCC(=O)NC(C)C 240690a_100138425928_100000749702 [0,2,0,0,0,0|2,0,0]=4 1808 B9R0.4 C=CCCC(=O)NC(C)C 527a_100138425928_100000749702 [0,2,0,0,0,0|2,0,0]=4 1809 B9R0.4 CC(C)CC(=O)CCC#N 1458a_100000210554_100011215226 [0,2,0,0,0,0|2,0,0]=4 1810 B9R0.4 CC(C)CC(=O)CCC#N 1458a_100011934036_100000210624 [0,2,0,0,0,0|2,0,0]=4 1811 B9R0.4 CC(C)CC(=O)CCCF 1458a_100000210554_100011934791 [0,2,0,0,0,0|2,0,0]=4 1812 B9R0.4 CC(C)CC(=O)CCCO 1458a_100000210554_100011215043 [0,2,0,0,0,0|1,1,0]=4 1813 B9R0.4 CC(C)CC(=O)NCCF 11a_100000724931_100000210554 [0,2,0,0,0,0|2,0,0]=4 1814 B9R0.4 CC(C)CC(=O)NCCF 1626a_100000724931_100000210554 [0,2,0,0,0,0|2,0,0]=4 1815 B9R0.4 CC(C)CC(=O)NCCF 240690a_100000724931_100000210554 [0,2,0,0,0,0|2,0,0]=4 1816 B9R0.4 CC(C)CC(=O)NCCF 527a_100000724931_100000210554 [0,2,0,0,0,0|2,0,0]=4 1817 B9R0.4 CC(C)CC(=O)NCCO 240690a_100000210304_100000210554 [0,2,0,0,0,0|1,1,0]=4 1818 B9R0.4 CC(C)CC(=O)NCCO 527a_100000210304_100000210554 [0,2,0,0,0,0|1,1,0]=4 1819 B9R0.4 CC(C)NC(=O)CCC#N 11a_100138425928_100011934036 [0,2,0,0,0,0|2,0,0]=4 1820 B9R0.4 CC(C)NC(=O)CCC#N 1626a_100138425928_100011934036 [0,2,0,0,0,0|2,0,0]=4 1821 B9R0.4 CC(C)NC(=O)CCC#N 240690a_100138425928_100011934036 [0,2,0,0,0,0|2,0,0]=4 1822 B9R0.4 CC(C)NC(=O)CCC#N 527a_100138425928_100011934036 [0,2,0,0,0,0|2,0,0]=4 1823 B9R0.4 CC(C)NC(=O)CCS[13CH3] 62a_100000737564_200025704644 [0,2,0,0,0,0|1,0,0]=3 1824 B9R0.4 CC(C)NC(=O)CCS[13CH3] 62a_200025704644_100000737564 [0,2,0,0,0,0|1,0,0]=3 1825 B9R0.4 CC(C)NC(=O)CSCF 62a_100000183996_100015361967 [0,2,0,0,0,0|2,0,0]=4 1826 B9R0.4 CC(C)NC(=O)CSCF 62a_100015361967_100000183996 [0,2,0,0,0,0|2,0,0]=4 1827 B9R0.4 CC(C)NC(=O)NCCF 2708a_100138425928_100000724931 [0,2,0,0,0,0|2,0,0]=4 1828 B9R0.4 CC(C)NC(=O)NCCF 273464a_100138425928_100000724931 [0,2,0,0,0,0|2,0,0]=4 1829 B9R0.4 CC(C)NC(=O)NCCF 512a_100138425928_100000724931 [0,2,0,0,0,0|2,0,0]=4 1830 B9R0.4 CC(C)NC(=O)NCCO 2708a_100138425928_100000210304 [0,2,0,0,0,0|1,1,0]=4 1831 B9R0.4 CC(C)NC(=O)NCCO 273464a_100138425928_100000210304 [0,2,0,0,0,0|1,1,0]=4 1832 B9R0.4 CC(C)NC(=O)NCCO 512a_100138425928_100000210304 [0,2,0,0,0,0|1,1,0]=4 1833 B9R0.4 CC(C)OC(=O)CCS[13CH3] 62a_100000760027_200025704644 [0,2,0,0,0,0|0,0,0]=2 1834 B9R0.4 CC(C)OC(=O)CCS[13CH3] 62a_200025704644_100000760027 [0,2,0,0,0,0|0,0,0]=2 1835 B9R0.4 CC(C)OC(=O)CSCF 62a_100011215430_100015361967 [0,2,0,0,0,0|1,0,0]=3 1836 B9R0.4 CC(C)OC(=O)CSCF 62a_100015361967_100011215430 [0,2,0,0,0,0|1,0,0]=3 1837 B9R0.4 CC(C)OC(=O)OCS[13CH3] 62a_100000003507_200025704644 [0,2,0,0,0,0|1,0,0]=3 1838 B9R0.4 CC(C)OC(=O)OCS[13CH3] 62a_200025704644_100000003507 [0,2,0,0,0,0|1,0,0]=3 1839 B9R0.4 CC(O)CC(=O)CCC#N 1458a_100011934036_100011218427 [0,2,0,0,0,0|2,0,0]=4 1840 B9R0.4 CCC#CC(=O)CC(C)C 1458a_100011827653_100000210624 [0,2,0,0,0,0|2,0,0]=4 1841 B9R0.4 CCC#CC(=O)CC(C)O 1458a_100011827653_100011218427 [0,2,0,0,0,0|1,1,0]=4 1842 B9R0.4 CCC#CC(=O)CC(F)F 1458a_100011827653_100011934356 [0,2,0,0,0,0|2,0,0]=4 1843 B9R0.4 CCC=CC(=O)CC(C)C 1458a_100000212282_100000210624 [0,2,0,0,0,0|2,0,0]=4 1844 B9R0.4 CCC=CC(=O)CC(C)O 1458a_100000212282_100011218427 [0,2,0,0,0,0|1,1,0]=4 1845 B9R0.4 CCC=CC(=O)CC(F)F 1458a_100000212282_100011934356 [0,2,0,0,0,0|2,0,0]=4 1846 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210183_100000210624 [0,2,0,0,0,0|2,0,0]=4 1847 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210554_100000210211 [0,2,0,0,0,0|2,0,0]=4 1848 B9R0.4 CCCCC(=O)CC(C)O 1458a_100000210183_100011218427 [0,2,0,0,0,0|1,1,0]=4 1849 B9R0.4 CCCCC(=O)CC(F)F 1458a_100000210183_100011934356 [0,2,0,0,0,0|2,0,0]=4 1850 B9R0.4 CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210211 [0,2,0,0,0,0|1,1,0]=4 1851 B9R0.4 CCCCC(=O)NC(C)C 11a_100138425928_100000210183 [0,2,0,0,0,0|2,0,0]=4 1852 B9R0.4 CCCCC(=O)NC(C)C 1626a_100138425928_100000210183 [0,2,0,0,0,0|2,0,0]=4 1853 B9R0.4 CCCCC(=O)NC(C)C 240690a_100138425928_100000210183 [0,2,0,0,0,0|2,0,0]=4 1854 B9R0.4 CCCCC(=O)NC(C)C 527a_100138425928_100000210183 [0,2,0,0,0,0|2,0,0]=4 1855 B9R0.4 CCCNC(=O)CC(C)C 11a_100020643023_100000210554 [0,2,0,0,0,0|2,0,0]=4 1856 B9R0.4 CCCNC(=O)CC(C)C 1626a_100020643023_100000210554 [0,2,0,0,0,0|2,0,0]=4 1857 B9R0.4 CCCNC(=O)CC(C)C 240690a_100020643023_100000210554 [0,2,0,0,0,0|2,0,0]=4 1858 B9R0.4 CCCNC(=O)CC(C)C 527a_100020643023_100000210554 [0,2,0,0,0,0|2,0,0]=4 1859 B9R0.4 CCCNC(=O)C[C@@H](C)O 240690a_100020643023_100011933948 [0,2,0,0,0,0|1,1,0]=4 1860 B9R0.4 CCCNC(=O)NC(C)C 2708a_100020643023_100138425928 [0,2,0,0,0,0|2,0,0]=4 1861 B9R0.4 CCCNC(=O)NC(C)C 2708a_100138425928_100020643023 [0,2,0,0,0,0|2,0,0]=4 1862 B9R0.4 CCCNC(=O)NC(C)C 273464a_100138425928_100020643023 [0,2,0,0,0,0|2,0,0]=4 1863 B9R0.4 CCCNC(=O)NC(C)C 512a_100020643023_100138425928 [0,2,0,0,0,0|2,0,0]=4 1864 B9R0.4 CCCNC(=O)NC(C)C 512a_100138425928_100020643023 [0,2,0,0,0,0|2,0,0]=4 1865 B9R0.4 CCCOC(=O)CC(=O)C 1458a_100000070787_200011215008 [0,2,0,0,0,0|0,1,1]=4 1866 B9R0.4 CCCOC(=O)CN(C)C 2230a_100102631434_200011215008 [0,2,0,0,0,0|2,0,0]=4 1867 B9R0.4 CCCOC(=O)CN(C)C 269982a_100102631434_200011215008 [0,2,0,0,0,0|2,0,0]=4 1868 B9R0.4 CCNCC(=O)NC(C)C 2230a_100000168517_100000210202 [0,2,0,0,0,0|2,0,0]=4 1869 B9R0.4 CCNCC(=O)NC(C)C 2230a_100015525214_100000183996 [0,2,0,0,0,0|2,0,0]=4 1870 B9R0.4 CCNCC(=O)OC(C)C 2230a_100015525214_100011215430 [0,2,0,0,0,0|1,0,0]=3 1871 B9R0.4 CCNNC(=O)CC(C)C 22a_100000756455_100000210554 [0,2,0,0,0,0|2,0,0]=4 1872 B9R0.4 CCNNC(=O)C[C@@H](C)O 22a_100000756455_100011933948 [0,2,0,0,0,0|1,1,0]=4 1873 B9R0.4 CCOCC(=O)CC(=O)N 1458a_100000211967_100000187820 [0,2,0,0,0,0|0,1,1]=4 1874 B9R0.4 CCOCC(=O)CC(=O)[O-] 1458a_100000211967_100020667443 [0,2,0,0,0,0|0,1,1]=4 1875 B9R0.4 CCOCC(=O)CC(C)C 1458a_100000211967_100000210624 [0,2,0,0,0,0|1,0,0]=3 1876 B9R0.4 CCOCC(=O)CC(C)O 1458a_100000211967_100011218427 [0,2,0,0,0,0|0,1,0]=3 1877 B9R0.4 CCOCC(=O)CC(F)F 1458a_100000211967_100011934356 [0,2,0,0,0,0|1,0,0]=3 1878 B9R0.4 CCOCC(=O)C[N+](=O)[O-] 1458a_100000211967_100000761209 [0,2,0,0,0,0|1,1,0]=4 1879 B9R0.4 CCOCC(=O)NC(C)C 11a_100138425928_100000211967 [0,2,0,0,0,0|2,0,0]=4 1880 B9R0.4 CCOCC(=O)NC(C)C 1626a_100138425928_100000211967 [0,2,0,0,0,0|2,0,0]=4 1881 B9R0.4 CCOCC(=O)NC(C)C 240690a_100138425928_100000211967 [0,2,0,0,0,0|2,0,0]=4 1882 B9R0.4 CCOCC(=O)NC(C)C 34a_100121572206_100000183996 [0,2,0,0,0,0|2,0,0]=4 1883 B9R0.4 CCOCC(=O)NC(C)C 527a_100138425928_100000211967 [0,2,0,0,0,0|2,0,0]=4 1884 B9R0.4 CCOCC(=O)OC(C)C 34a_100121572206_100011215430 [0,2,0,0,0,0|1,0,0]=3 1885 B9R0.4 CCSCC(=O)CC(C)C 1458a_100000230394_100000210624 [0,2,0,0,0,0|1,1,0]=4 1886 B9R0.4 CCSCC(=O)CC(C)O 1458a_100000230394_100011218427 [0,2,0,0,0,0|0,2,0]=4 1887 B9R0.4 CCSCC(=O)CC(F)F 1458a_100000230394_100011934356 [0,2,0,0,0,0|1,1,0]=4 1888 B9R0.4 CCSCC(=O)NC(C)C 11a_100138425928_100000230394 [0,2,0,0,0,0|2,0,0]=4 1889 B9R0.4 CCSCC(=O)NC(C)C 1626a_100138425928_100000230394 [0,2,0,0,0,0|2,0,0]=4 1890 B9R0.4 CCSCC(=O)NC(C)C 240690a_100138425928_100000230394 [0,2,0,0,0,0|2,0,0]=4 1891 B9R0.4 CCSCC(=O)NC(C)C 527a_100138425928_100000230394 [0,2,0,0,0,0|2,0,0]=4 1892 B9R0.4 CCSCC(=O)NC(C)C 62a_100000183996_100000210202 [0,2,0,0,0,0|2,0,0]=4 1893 B9R0.4 CCSCC(=O)NC(C)C 62a_100000210202_100000183996 [0,2,0,0,0,0|2,0,0]=4 1894 B9R0.4 CCSCC(=O)OC(C)C 62a_100000210202_100011215430 [0,2,0,0,0,0|1,0,0]=3 1895 B9R0.4 CCSCC(=O)OC(C)C 62a_100011215430_100000210202 [0,2,0,0,0,0|1,0,0]=3 1896 B9R0.4 CNCCC(=O)NC(C)C 2230a_106832991635_100000737564 [0,2,0,0,0,0|2,0,0]=4 1897 B9R0.4 CNCCC(=O)NC(C)C 7a_106832991635_100000737564 [0,2,0,0,0,0|2,0,0]=4 1898 B9R0.4 CNCCC(=O)OC(C)C 2230a_106832991635_100000760027 [0,2,0,0,0,0|1,0,0]=3 1899 B9R0.4 CNCCC(=O)OC(C)C 7a_106832991635_100000760027 [0,2,0,0,0,0|1,0,0]=3 1900 B9R0.4 COCCC(=O)CC(C)C 1458a_100000210554_100000233755 [0,2,0,0,0,0|1,1,0]=4 1901 B9R0.4 COCCC(=O)CC(C)C 1458a_100000749529_100000210624 [0,2,0,0,0,0|1,1,0]=4 1902 B9R0.4 COCCC(=O)CC(C)O 1458a_100000749529_100011218427 [0,2,0,0,0,0|1,1,0]=4 1903 B9R0.4 COCCC(=O)CC(F)F 1458a_100000749529_100011934356 [0,2,0,0,0,0|2,0,0]=4 1904 B9R0.4 COCCC(=O)C[C@@H](C)O 1458a_100011933948_100000233755 [0,2,0,0,0,0|1,1,0]=4 1905 B9R0.4 COCCC(=O)NC(C)C 11a_100138425928_100000749529 [0,2,0,0,0,0|1,1,0]=4 1906 B9R0.4 COCCC(=O)NC(C)C 1626a_100138425928_100000749529 [0,2,0,0,0,0|1,1,0]=4 1907 B9R0.4 COCCC(=O)NC(C)C 240690a_100138425928_100000749529 [0,2,0,0,0,0|1,1,0]=4 1908 B9R0.4 COCCC(=O)NC(C)C 527a_100138425928_100000749529 [0,2,0,0,0,0|1,1,0]=4 1909 B9R0.4 CSCCC(=O)C=C(C)C 1458a_100000211388_100000751147 [0,2,0,0,0,0|1,0,1]=4 1910 B9R0.4 CSCCC(=O)C=C(C)Cl 1458a_200042562850_100000751147 [0,2,0,0,0,0|1,0,1]=4 1911 B9R0.4 CSCCC(=O)C=C(C)I 1458a_100025716642_100000751147 [0,2,0,0,0,0|1,0,1]=4 1912 B9R0.4 CSCCC(=O)CC(C)C 1458a_100000174002_100000210624 [0,2,0,0,0,0|1,0,0]=3 1913 B9R0.4 CSCCC(=O)CC(C)C 1458a_100000210554_100000751147 [0,2,0,0,0,0|1,0,0]=3 1914 B9R0.4 CSCCC(=O)CC(C)O 1458a_100000174002_100011218427 [0,2,0,0,0,0|1,0,0]=3 1915 B9R0.4 CSCCC(=O)CC(F)F 1458a_100000174002_100011934356 [0,2,0,0,0,0|2,0,0]=4 1916 B9R0.4 CSCCC(=O)CN(C)C 1458a_100000750896_100000751147 [0,2,0,0,0,0|2,0,0]=4 1917 B9R0.4 CSCCC(=O)C[C@@H](C)O 1458a_100011933948_100000751147 [0,2,0,0,0,0|1,0,0]=3 1918 B9R0.4 CSCCC(=O)C[S+](C)C 1458a_200159257847_100000751147 [0,2,0,0,0,0|2,0,0]=4 1919 B9R0.4 CSCCC(=O)NC(C)C 11a_100138425928_100000174002 [0,2,0,0,0,0|1,0,0]=3 1920 B9R0.4 CSCCC(=O)NC(C)C 1626a_100138425928_100000174002 [0,2,0,0,0,0|1,0,0]=3 1921 B9R0.4 CSCCC(=O)NC(C)C 240690a_100138425928_100000174002 [0,2,0,0,0,0|1,0,0]=3 1922 B9R0.4 CSCCC(=O)NC(C)C 527a_100138425928_100000174002 [0,2,0,0,0,0|1,0,0]=3 1923 B9R0.4 CSCCC(=O)NC(C)C 62a_100000737564_200000210301 [0,2,0,0,0,0|1,0,0]=3 1924 B9R0.4 CSCCC(=O)NC(C)C 62a_200000210301_100000737564 [0,2,0,0,0,0|1,0,0]=3 1925 B9R0.4 CSCCC(=O)OC(C)C 62a_100000760027_200000210301 [0,2,0,0,0,0|0,0,0]=2 1926 B9R0.4 CSCCC(=O)OC(C)C 62a_200000210301_100000760027 [0,2,0,0,0,0|0,0,0]=2 1927 B9R0.4 CSCOC(=O)OC(C)C 62a_100000003507_200000210301 [0,2,0,0,0,0|1,0,0]=3 1928 B9R0.4 CSCOC(=O)OC(C)C 62a_200000210301_100000003507 [0,2,0,0,0,0|1,0,0]=3 1929 B9R0.4 C[C@@H](O)CC(=O)CCC#N 1458a_100011933948_100011215226 [0,2,0,0,0,0|2,0,0]=4 1930 B9R0.4 C[C@@H](O)CC(=O)CCCF 1458a_100011933948_100011934791 [0,2,0,0,0,0|1,1,0]=4 1931 B9R0.4 C[C@@H](O)CC(=O)CCCO 1458a_100011933948_100011215043 [0,2,0,0,0,0|1,1,0]=4 1932 B9R0.4 C[C@@H](O)CC(=O)NCCF 240690a_100000724931_100011933948 [0,2,0,0,0,0|1,1,0]=4 1933 B9R0.4 C[C@@H](O)CC(=O)NCCO 240690a_100000210304_100011933948 [0,2,0,0,0,0|1,1,0]=4 1934 B9R0.5 C#CCC(=O)C=COCC 1458a_100016266692_100000184674 [0,2,0,0,0,0|1,0,1]=4 1935 B9R0.5 C#CCC(=O)CCOCC 1458a_100000749530_100000184674 [0,2,0,0,0,0|1,0,1]=4 1936 B9R0.5 C#CCC(=O)CCOCC 1458a_100011220946_100011215890 [0,2,0,0,0,0|1,0,1]=4 1937 B9R0.5 C#CCC(=O)COCCC 1458a_100000745993_100000184674 [0,2,0,0,0,0|1,0,1]=4 1938 B9R0.5 C#CCC(=O)COCCO 1458a_100000708028_100000184674 [0,2,0,0,0,0|1,0,1]=4 1939 B9R0.5 C#CCCCC(=O)CCC 1458a_100000211992_100000731252 [0,2,0,0,0,0|2,0,0]=4 1940 B9R0.5 C#CCCCC(=O)CCC 1458a_100000690238_100000210303 [0,2,0,0,0,0|2,0,0]=4 1941 B9R0.5 C#CCCCC(=O)CCF 1458a_100000690238_100011217306 [0,2,0,0,0,0|2,0,0]=4 1942 B9R0.5 C#CCCCC(=O)CCO 1458a_100000690238_100000211926 [0,2,0,0,0,0|1,1,0]=4 1943 B9R0.5 C#CCCCC(=O)CCO 1458a_100011216618_100000731252 [0,2,0,0,0,0|1,1,0]=4 1944 B9R0.5 C#CCCCC(=O)NCC 11a_100015525214_100000690238 [0,2,0,0,0,0|2,0,0]=4 1945 B9R0.5 C#CCCCC(=O)NCC 240690a_100015525214_100000690238 [0,2,0,0,0,0|2,0,0]=4 1946 B9R0.5 C#CCCCC(=O)NCC 527a_100015525214_100000690238 [0,2,0,0,0,0|2,0,0]=4 1947 B9R0.5 C#CCCNC(=O)CCC 11a_100000755551_100000211992 [0,2,0,0,0,0|2,0,0]=4 1948 B9R0.5 C#CCCNC(=O)CCC 1626a_100000755551_100000211992 [0,2,0,0,0,0|2,0,0]=4 1949 B9R0.5 C#CCCNC(=O)CCC 240690a_100000755551_100000211992 [0,2,0,0,0,0|2,0,0]=4 1950 B9R0.5 C#CCCNC(=O)CCC 527a_100000755551_100000211992 [0,2,0,0,0,0|2,0,0]=4 1951 B9R0.5 C#CCCNC(=O)CCO 240690a_100000755551_100011216618 [0,2,0,0,0,0|1,1,0]=4 1952 B9R0.5 C#CCCNC(=O)NCC 2708a_100000755551_100015525214 [0,2,0,0,0,0|2,0,0]=4 1953 B9R0.5 C#CCCNC(=O)NCC 2708a_100015525214_100000755551 [0,2,0,0,0,0|2,0,0]=4 1954 B9R0.5 C#CCCNC(=O)NCC 273464a_100000755551_100015525214 [0,2,0,0,0,0|2,0,0]=4 1955 B9R0.5 C#CCCNC(=O)NCC 273464a_100015525214_100000755551 [0,2,0,0,0,0|2,0,0]=4 1956 B9R0.5 C#CCCNC(=O)NCC 512a_100000755551_100015525214 [0,2,0,0,0,0|2,0,0]=4 1957 B9R0.5 C#CCCNC(=O)NCC 512a_100015525214_100000755551 [0,2,0,0,0,0|2,0,0]=4 1958 B9R0.5 C#CCNCC(=O)NCC 2230a_100016988866_100000038162 [0,2,0,0,0,0|2,0,0]=4 1959 B9R0.5 C#CCNCC(=O)NCC 34a_100000212058_100000183381 [0,2,0,0,0,0|2,0,0]=4 1960 B9R0.5 C#CCNCC(=O)OCC 34a_100000212058_100000188475 [0,2,0,0,0,0|1,0,0]=3 1961 B9R0.5 C#CCOCC(=O)CCC 1458a_100011251226_100000210303 [0,2,0,0,0,0|1,0,1]=4 1962 B9R0.5 C#CCOCC(=O)CCF 1458a_100011251226_100011217306 [0,2,0,0,0,0|1,0,1]=4 1963 B9R0.5 C#CCOCC(=O)CCO 1458a_100011251226_100000211926 [0,2,0,0,0,0|0,1,1]=4 1964 B9R0.5 C#CCOCC(=O)NCC 11a_100015525214_100011251226 [0,2,0,0,0,0|2,0,0]=4 1965 B9R0.5 C#CCOCC(=O)NCC 34a_100000210247_100000183381 [0,2,0,0,0,0|2,0,0]=4 1966 B9R0.5 C#CCOCC(=O)NCC 527a_100015525214_100011251226 [0,2,0,0,0,0|2,0,0]=4 1967 B9R0.5 C#CCOCC(=O)OCC 34a_100000210247_100000188475 [0,2,0,0,0,0|1,0,0]=3 1968 B9R0.5 C#CCSCC(=O)CCC 62a_100000038162_100000747444 [0,2,0,0,0,0|2,0,0]=4 1969 B9R0.5 C#CCSCC(=O)NCC 62a_100000038162_100000183381 [0,2,0,0,0,0|2,0,0]=4 1970 B9R0.5 C#CCSCC(=O)OCC 62a_100000038162_100000188475 [0,2,0,0,0,0|1,0,0]=3 1971 B9R0.5 C=CCC(=O)C=COCC 1458a_100016266692_100000210623 [0,2,0,0,0,0|1,0,1]=4 1972 B9R0.5 C=CCC(=O)CCOCC 1458a_100000210193_100011215890 [0,2,0,0,0,0|1,0,1]=4 1973 B9R0.5 C=CCC(=O)CCOCC 1458a_100000749530_100000210623 [0,2,0,0,0,0|1,0,1]=4 1974 B9R0.5 C=CCC(=O)COCCC 1458a_100000745993_100000210623 [0,2,0,0,0,0|1,0,1]=4 1975 B9R0.5 C=CCC(=O)COCCO 1458a_100000708028_100000210623 [0,2,0,0,0,0|1,0,1]=4 1976 B9R0.5 C=CCCCC(=O)CCC 1458a_100000211992_100000757094 [0,2,0,0,0,0|2,0,0]=4 1977 B9R0.5 C=CCCCC(=O)CCC 1458a_100000766728_100000210303 [0,2,0,0,0,0|2,0,0]=4 1978 B9R0.5 C=CCCCC(=O)CCF 1458a_100000766728_100011217306 [0,2,0,0,0,0|2,0,0]=4 1979 B9R0.5 C=CCCCC(=O)CCO 1458a_100000766728_100000211926 [0,2,0,0,0,0|1,1,0]=4 1980 B9R0.5 C=CCCCC(=O)CCO 1458a_100011216618_100000757094 [0,2,0,0,0,0|1,1,0]=4 1981 B9R0.5 C=CCCCC(=O)NCC 11a_100015525214_100000766728 [0,2,0,0,0,0|2,0,0]=4 1982 B9R0.5 C=CCCCC(=O)NCC 240690a_100015525214_100000766728 [0,2,0,0,0,0|2,0,0]=4 1983 B9R0.5 C=CCCCC(=O)NCC 527a_100015525214_100000766728 [0,2,0,0,0,0|2,0,0]=4 1984 B9R0.5 C=CCCNC(=O)CCC 11a_100015191253_100000211992 [0,2,0,0,0,0|2,0,0]=4 1985 B9R0.5 C=CCCNC(=O)CCC 1626a_100015191253_100000211992 [0,2,0,0,0,0|2,0,0]=4 1986 B9R0.5 C=CCCNC(=O)CCC 240690a_100015191253_100000211992 [0,2,0,0,0,0|2,0,0]=4 1987 B9R0.5 C=CCCNC(=O)CCC 527a_100015191253_100000211992 [0,2,0,0,0,0|2,0,0]=4 1988 B9R0.5 C=CCCNC(=O)CCO 240690a_100015191253_100011216618 [0,2,0,0,0,0|1,1,0]=4 1989 B9R0.5 C=CCCNC(=O)NCC 2708a_100015191253_100015525214 [0,2,0,0,0,0|2,0,0]=4 1990 B9R0.5 C=CCCNC(=O)NCC 2708a_100015525214_100015191253 [0,2,0,0,0,0|2,0,0]=4 1991 B9R0.5 C=CCCNC(=O)NCC 273464a_100015191253_100015525214 [0,2,0,0,0,0|2,0,0]=4 1992 B9R0.5 C=CCCNC(=O)NCC 273464a_100015525214_100015191253 [0,2,0,0,0,0|2,0,0]=4 1993 B9R0.5 C=CCCNC(=O)NCC 512a_100015191253_100015525214 [0,2,0,0,0,0|2,0,0]=4 1994 B9R0.5 C=CCCNC(=O)NCC 512a_100015525214_100015191253 [0,2,0,0,0,0|2,0,0]=4 1995 B9R0.5 C=CCNCC(=O)CCC 2230a_100020586998_100000747444 [0,2,0,0,0,0|2,0,0]=4 1996 B9R0.5 C=CCNCC(=O)NCC 2230a_100016988866_100000210623 [0,2,0,0,0,0|2,0,0]=4 1997 B9R0.5 C=CCNCC(=O)NCC 2230a_100020586998_100000183381 [0,2,0,0,0,0|2,0,0]=4 1998 B9R0.5 C=CCNCC(=O)OCC 2230a_100020586998_100000188475 [0,2,0,0,0,0|1,0,0]=3 1999 B9R0.5 C=CCOCC(=O)NCC 34a_200000210373_100000183381 [0,2,0,0,0,0|2,0,0]=4 2000 B9R0.5 C=CCOCC(=O)OCC 34a_200000210373_100000188475 [0,2,0,0,0,0|1,0,0]=3 2001 B9R0.5 C=CCSCC(=O)CCC 1458a_100000230395_100000210303 [0,2,0,0,0,0|2,0,0]=4 2002 B9R0.5 C=CCSCC(=O)CCC 62a_100000210623_100000747444 [0,2,0,0,0,0|2,0,0]=4 2003 B9R0.5 C=CCSCC(=O)CCC 62a_100000747444_100000210623 [0,2,0,0,0,0|2,0,0]=4 2004 B9R0.5 C=CCSCC(=O)NCC 11a_100015525214_100000230395 [0,2,0,0,0,0|2,0,0]=4 2005 B9R0.5 C=CCSCC(=O)NCC 240690a_100015525214_100000230395 [0,2,0,0,0,0|2,0,0]=4 2006 B9R0.5 C=CCSCC(=O)NCC 527a_100015525214_100000230395 [0,2,0,0,0,0|2,0,0]=4 2007 B9R0.5 C=CCSCC(=O)NCC 62a_100000183381_100000210623 [0,2,0,0,0,0|2,0,0]=4 2008 B9R0.5 C=CCSCC(=O)NCC 62a_100000210623_100000183381 [0,2,0,0,0,0|2,0,0]=4 2009 B9R0.5 C=CCSCC(=O)OCC 62a_100000188475_100000210623 [0,2,0,0,0,0|1,0,0]=3 2010 B9R0.5 C=CCSCC(=O)OCC 62a_100000210623_100000188475 [0,2,0,0,0,0|1,0,0]=3 2011 B9R0.5 C=COC(=O)CSCSC 62a_100000036128_100011218213 [0,2,0,0,0,0|0,0,2]=4 2012 B9R0.5 C=COC(=O)CSCSC 62a_100011218213_100000036128 [0,2,0,0,0,0|0,0,2]=4 2013 B9R0.5 C=COCCC(=O)CCC 1458a_100000211992_100000039644 [0,2,0,0,0,0|1,1,0]=4 2014 B9R0.5 CC#CC(=O)CCSCC 1458a_100000763181_100000757381 [0,2,0,0,0,0|1,0,1]=4 2015 B9R0.5 CC#CCNC(=O)CCC 11a_100000685387_100000211992 [0,2,0,0,0,0|2,0,0]=4 2016 B9R0.5 CC#CCNC(=O)CCC 1626a_100000685387_100000211992 [0,2,0,0,0,0|2,0,0]=4 2017 B9R0.5 CC#CCNC(=O)CCC 527a_100000685387_100000211992 [0,2,0,0,0,0|2,0,0]=4 2018 B9R0.5 CC/C=C/CC(=O)CCC 1458a_100016274230_100000210303 [0,2,0,0,0,0|2,0,0]=4 2019 B9R0.5 CC/C=C/CC(=O)CCF 1458a_100016274230_100011217306 [0,2,0,0,0,0|2,0,0]=4 2020 B9R0.5 CC/C=C/CC(=O)CCO 1458a_100016274230_100000211926 [0,2,0,0,0,0|1,1,0]=4 2021 B9R0.5 CC/C=C/CC(=O)NCC 11a_100015525214_100016274230 [0,2,0,0,0,0|2,0,0]=4 2022 B9R0.5 CC/C=C/CC(=O)NCC 240690a_100015525214_100016274230 [0,2,0,0,0,0|2,0,0]=4 2023 B9R0.5 CC/C=C/CC(=O)NCC 527a_100015525214_100016274230 [0,2,0,0,0,0|2,0,0]=4 2024 B9R0.5 CC/C=C\CC(=O)CCC 1458a_100000211992_100103147603 [0,2,0,0,0,0|2,0,0]=4 2025 B9R0.5 CC/C=C\CC(=O)CCO 1458a_100011216618_100103147603 [0,2,0,0,0,0|1,1,0]=4 2026 B9R0.5 CC=CC(=O)CCSCC 1458a_100000210699_100000757381 [0,2,0,0,0,0|1,0,1]=4 2027 B9R0.5 CC=CC(=O)NCCSC 11a_100020590264_100000210699 [0,2,0,0,0,0|1,0,1]=4 2028 B9R0.5 CC=CC(=O)NCCSC 1626a_100020590264_100000210699 [0,2,0,0,0,0|1,0,1]=4 2029 B9R0.5 CC=CC(=O)NCCSC 240690a_100020590264_100000210699 [0,2,0,0,0,0|1,0,1]=4 2030 B9R0.5 CCC#CCC(=O)CCC 1458a_100000211992_100009813939 [0,2,0,0,0,0|2,0,0]=4 2031 B9R0.5 CCC#CCC(=O)CCO 1458a_100011216618_100009813939 [0,2,0,0,0,0|1,1,0]=4 2032 B9R0.5 CCC=NNC(=O)CCC 4a_100000189770_100000210100 [0,2,0,0,0,0|2,0,0]=4 2033 B9R0.5 CCCC#CC(=O)CCC 1458a_200011218047_100000210303 [0,2,0,0,0,0|2,0,0]=4 2034 B9R0.5 CCCC#CC(=O)CCF 1458a_200011218047_100011217306 [0,2,0,0,0,0|2,0,0]=4 2035 B9R0.5 CCCC#CC(=O)CCO 1458a_200011218047_100000211926 [0,2,0,0,0,0|1,1,0]=4 2036 B9R0.5 CCCC#CC(=O)NCC 240690a_100015525214_200011218047 [0,2,0,0,0,0|2,0,0]=4 2037 B9R0.5 CCCC(=O)C=CCOC 1458a_100016285016_100000210303 [0,2,0,0,0,0|2,0,0]=4 2038 B9R0.5 CCCC(=O)C=COCC 1458a_100016266692_100000210303 [0,2,0,0,0,0|1,0,0]=3 2039 B9R0.5 CCCC(=O)CC#CCO 1458a_100000211992_200000047223 [0,2,0,0,0,0|1,1,0]=4 2040 B9R0.5 CCCC(=O)CCCC#N 1458a_100000075515_100000210303 [0,2,0,0,0,0|2,0,0]=4 2041 B9R0.5 CCCC(=O)CCCC#N 1458a_100000211992_100000211468 [0,2,0,0,0,0|2,0,0]=4 2042 B9R0.5 CCCC(=O)CCCCF 1458a_100000211992_100000729493 [0,2,0,0,0,0|2,0,0]=4 2043 B9R0.5 CCCC(=O)CCCCO 1458a_100000211992_100000210776 [0,2,0,0,0,0|1,1,0]=4 2044 B9R0.5 CCCC(=O)CCCCO 1458a_100000695505_100000210303 [0,2,0,0,0,0|1,1,0]=4 2045 B9R0.5 CCCC(=O)CCCOC 1458a_100000211992_100000740836 [0,2,0,0,0,0|1,1,0]=4 2046 B9R0.5 CCCC(=O)CCCOC 1458a_100000741012_100000210303 [0,2,0,0,0,0|1,1,0]=4 2047 B9R0.5 CCCC(=O)CCCSC 1458a_100000173376_100000210303 [0,2,0,0,0,0|1,0,0]=3 2048 B9R0.5 CCCC(=O)CCN=[N+]=[N-] 1458a_100000688302_100000210303 [0,2,0,0,0,0|2,0,0]=4 2049 B9R0.5 CCCC(=O)CCOCC 1458a_100000211992_100011215890 [0,2,0,0,0,0|1,0,0]=3 2050 B9R0.5 CCCC(=O)CCOCC 1458a_100000749530_100000210303 [0,2,0,0,0,0|1,0,0]=3 2051 B9R0.5 CCCC(=O)CCSCC 1458a_100000211992_100000757381 [0,2,0,0,0,0|1,0,0]=3 2052 B9R0.5 CCCC(=O)CCSCC 1458a_100000230768_100000210303 [0,2,0,0,0,0|1,0,0]=3 2053 B9R0.5 CCCC(=O)CNCCO 2230a_100016997473_100000747444 [0,2,0,0,0,0|1,1,0]=4 2054 B9R0.5 CCCC(=O)COCCO 1458a_100000708028_100000210303 [0,2,0,0,0,0|1,0,0]=3 2055 B9R0.5 CCCC(=O)CSCC#N 1458a_100000150266_100000210303 [0,2,0,0,0,0|2,0,0]=4 2056 B9R0.5 CCCC(=O)CSCC#N 62a_100000747444_100011215382 [0,2,0,0,0,0|2,0,0]=4 2057 B9R0.5 CCCC(=O)CSCC#N 62a_100011215382_100000747444 [0,2,0,0,0,0|2,0,0]=4 2058 B9R0.5 CCCC(=O)CSCC=O 62a_100000747444_200015260668 [0,2,0,0,0,0|1,1,0]=4 2059 B9R0.5 CCCC(=O)CSCC=O 62a_200015260668_100000747444 [0,2,0,0,0,0|1,1,0]=4 2060 B9R0.5 CCCC(=O)CSCCF 62a_100000747444_100011217306 [0,2,0,0,0,0|1,1,0]=4 2061 B9R0.5 CCCC(=O)CSCCF 62a_100011217306_100000747444 [0,2,0,0,0,0|1,1,0]=4 2062 B9R0.5 CCCC(=O)CSCCO 62a_100000211926_100000747444 [0,2,0,0,0,0|1,1,0]=4 2063 B9R0.5 CCCC(=O)CSCCO 62a_100000747444_100000211926 [0,2,0,0,0,0|1,1,0]=4 2064 B9R0.5 CCCC(=O)CSCOC 62a_100000747444_100000766300 [0,2,0,0,0,0|1,1,0]=4 2065 B9R0.5 CCCC(=O)CSCOC 62a_100000766300_100000747444 [0,2,0,0,0,0|1,1,0]=4 2066 B9R0.5 CCCC(=O)CSCSC 62a_100000747444_100011218213 [0,2,0,0,0,0|1,0,0]=3 2067 B9R0.5 CCCC(=O)CSCSC 62a_100011218213_100000747444 [0,2,0,0,0,0|1,0,0]=3 2068 B9R0.5 CCCC(=O)NCCC#N 11a_100000720768_100000211992 [0,2,0,0,0,0|2,0,0]=4 2069 B9R0.5 CCCC(=O)NCCC#N 1626a_100000720768_100000211992 [0,2,0,0,0,0|2,0,0]=4 2070 B9R0.5 CCCC(=O)NCCC#N 240690a_100000720768_100000211992 [0,2,0,0,0,0|2,0,0]=4 2071 B9R0.5 CCCC(=O)NCCC#N 527a_100000720768_100000211992 [0,2,0,0,0,0|2,0,0]=4 2072 B9R0.5 CCCC(=O)NCCCF 11a_100015189416_100000211992 [0,2,0,0,0,0|2,0,0]=4 2073 B9R0.5 CCCC(=O)NCCCF 1626a_100015189416_100000211992 [0,2,0,0,0,0|2,0,0]=4 2074 B9R0.5 CCCC(=O)NCCCF 240690a_100015189416_100000211992 [0,2,0,0,0,0|2,0,0]=4 2075 B9R0.5 CCCC(=O)NCCCF 527a_100015189416_100000211992 [0,2,0,0,0,0|2,0,0]=4 2076 B9R0.5 CCCC(=O)NCCCO 240690a_100000182051_100000211992 [0,2,0,0,0,0|1,1,0]=4 2077 B9R0.5 CCCC(=O)NCCCO 527a_100000182051_100000211992 [0,2,0,0,0,0|1,1,0]=4 2078 B9R0.5 CCCC(=O)NCCOC 1626a_100000209980_100000211992 [0,2,0,0,0,0|1,1,0]=4 2079 B9R0.5 CCCC(=O)NCCOC 240690a_100000209980_100000211992 [0,2,0,0,0,0|1,1,0]=4 2080 B9R0.5 CCCC(=O)NCCOC 527a_100000209980_100000211992 [0,2,0,0,0,0|1,1,0]=4 2081 B9R0.5 CCCC(=O)NCCSC 11a_100020590264_100000211992 [0,2,0,0,0,0|1,0,0]=3 2082 B9R0.5 CCCC(=O)NCCSC 1626a_100020590264_100000211992 [0,2,0,0,0,0|1,0,0]=3 2083 B9R0.5 CCCC(=O)NCCSC 240690a_100020590264_100000211992 [0,2,0,0,0,0|1,0,0]=3 2084 B9R0.5 CCCC(=O)NCCSC 527a_100020590264_100000211992 [0,2,0,0,0,0|1,0,0]=3 2085 B9R0.5 CCCC(=O)NNCCO 22a_100000210001_100000211992 [0,2,0,0,0,0|1,1,0]=4 2086 B9R0.5 CCCC(=O)OCNCC 2230a_100015525214_100000034017 [0,2,0,0,0,0|1,0,0]=3 2087 B9R0.5 CCCC(=O)OCOCC 34a_100121572206_100000034017 [0,2,0,0,0,0|1,0,0]=3 2088 B9R0.5 CCCC(=O)OCSCC 62a_100000210202_100000034017 [0,2,0,0,0,0|1,0,0]=3 2089 B9R0.5 CCCC(=O)OCSCF 62a_100015361967_100000034017 [0,2,0,0,0,0|1,0,0]=3 2090 B9R0.5 CCCC=CC(=O)CCC 1458a_100000212230_100000210303 [0,2,0,0,0,0|2,0,0]=4 2091 B9R0.5 CCCC=CC(=O)CCF 1458a_100000212230_100011217306 [0,2,0,0,0,0|2,0,0]=4 2092 B9R0.5 CCCC=CC(=O)CCO 1458a_100000212230_100000211926 [0,2,0,0,0,0|1,1,0]=4 2093 B9R0.5 CCCC=CC(=O)NCC 11a_100015525214_100000212230 [0,2,0,0,0,0|2,0,0]=4 2094 B9R0.5 CCCC=CC(=O)NCC 240690a_100015525214_100000212230 [0,2,0,0,0,0|2,0,0]=4 2095 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [0,2,0,0,0,0|2,0,0]=4 2096 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [0,2,0,0,0,0|2,0,0]=4 2097 B9R0.5 CCCCCC(=O)CCF 1458a_100000212188_100011217306 [0,2,0,0,0,0|2,0,0]=4 2098 B9R0.5 CCCCCC(=O)CCO 1458a_100000212188_100000211926 [0,2,0,0,0,0|1,1,0]=4 2099 B9R0.5 CCCCCC(=O)CCO 1458a_100011216618_100000210326 [0,2,0,0,0,0|1,1,0]=4 2100 B9R0.5 CCCCCC(=O)NCC 11a_100015525214_100000212188 [0,2,0,0,0,0|2,0,0]=4 2101 B9R0.5 CCCCCC(=O)NCC 240690a_100015525214_100000212188 [0,2,0,0,0,0|2,0,0]=4 2102 B9R0.5 CCCCCC(=O)NCC 527a_100015525214_100000212188 [0,2,0,0,0,0|2,0,0]=4 2103 B9R0.5 CCCCNC(=O)CCC 11a_100000102301_100000211992 [0,2,0,0,0,0|2,0,0]=4 2104 B9R0.5 CCCCNC(=O)CCC 1626a_100000102301_100000211992 [0,2,0,0,0,0|2,0,0]=4 2105 B9R0.5 CCCCNC(=O)CCC 240690a_100000102301_100000211992 [0,2,0,0,0,0|2,0,0]=4 2106 B9R0.5 CCCCNC(=O)CCC 527a_100000102301_100000211992 [0,2,0,0,0,0|2,0,0]=4 2107 B9R0.5 CCCCNC(=O)CCO 240690a_100000102301_100011216618 [0,2,0,0,0,0|1,1,0]=4 2108 B9R0.5 CCCCNC(=O)NCC 2708a_100000102301_100015525214 [0,2,0,0,0,0|2,0,0]=4 2109 B9R0.5 CCCCNC(=O)NCC 2708a_100015525214_100000102301 [0,2,0,0,0,0|2,0,0]=4 2110 B9R0.5 CCCCNC(=O)NCC 273464a_100000102301_100015525214 [0,2,0,0,0,0|2,0,0]=4 2111 B9R0.5 CCCCNC(=O)NCC 273464a_100015525214_100000102301 [0,2,0,0,0,0|2,0,0]=4 2112 B9R0.5 CCCCNC(=O)NCC 512a_100000102301_100015525214 [0,2,0,0,0,0|2,0,0]=4 2113 B9R0.5 CCCCNC(=O)NCC 512a_100015525214_100000102301 [0,2,0,0,0,0|2,0,0]=4 2114 B9R0.5 CCCCOC(=O)CNC 2230a_106832991635_100000211628 [0,2,0,0,0,0|2,0,0]=4 2115 B9R0.5 CCCCOC(=O)CNC 34a_100102657272_100000211628 [0,2,0,0,0,0|2,0,0]=4 2116 B9R0.5 CCCCOC(=O)CNC 7a_106832991635_100000211628 [0,2,0,0,0,0|2,0,0]=4 2117 B9R0.5 CCCCOC(=O)COC 34a_100138415774_100000211628 [0,2,0,0,0,0|2,0,0]=4 2118 B9R0.5 CCCCOC(=O)CSC 62a_100000211628_200000210301 [0,2,0,0,0,0|2,0,0]=4 2119 B9R0.5 CCCCOC(=O)CSC 62a_200000210301_100000211628 [0,2,0,0,0,0|2,0,0]=4 2120 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_100000211628_200025704644 [0,2,0,0,0,0|2,0,0]=4 2121 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_200025704644_100000211628 [0,2,0,0,0,0|2,0,0]=4 2122 B9R0.5 CCCNCC(=O)NCC 2230a_100016988866_100000210303 [0,2,0,0,0,0|2,0,0]=4 2123 B9R0.5 CCCNNC(=O)CCC 22a_100000740057_100000211992 [0,2,0,0,0,0|2,0,0]=4 2124 B9R0.5 CCCNNC(=O)CCO 22a_100000740057_100011216618 [0,2,0,0,0,0|1,1,0]=4 2125 B9R0.5 CCCNNC(=O)NCC 273464a_100015525214_100000740057 [0,2,0,0,0,0|2,0,0]=4 2126 B9R0.5 CCCNNC(=O)NCC 512a_100000740057_100015525214 [0,2,0,0,0,0|2,0,0]=4 2127 B9R0.5 CCCNNC(=O)NCC 512a_100015525214_100000740057 [0,2,0,0,0,0|2,0,0]=4 2128 B9R0.5 CCCOCC(=O)CC#N 1458a_100000745993_100011214920 [0,2,0,0,0,0|1,0,1]=4 2129 B9R0.5 CCCOCC(=O)CCC 1458a_100000745993_100000210303 [0,2,0,0,0,0|1,0,0]=3 2130 B9R0.5 CCCOCC(=O)CCF 1458a_100000745993_100011217306 [0,2,0,0,0,0|1,0,0]=3 2131 B9R0.5 CCCOCC(=O)CCO 1458a_100000745993_100000211926 [0,2,0,0,0,0|0,1,0]=3 2132 B9R0.5 CCCOCC(=O)NCC 11a_100015525214_100000745993 [0,2,0,0,0,0|2,0,0]=4 2133 B9R0.5 CCCOCC(=O)NCC 240690a_100015525214_100000745993 [0,2,0,0,0,0|2,0,0]=4 2134 B9R0.5 CCCOCC(=O)NCC 34a_100000210258_100000183381 [0,2,0,0,0,0|2,0,0]=4 2135 B9R0.5 CCCOCC(=O)NCC 527a_100015525214_100000745993 [0,2,0,0,0,0|2,0,0]=4 2136 B9R0.5 CCCOCC(=O)NCO 34a_100000210258_100000185155 [0,2,0,0,0,0|1,1,0]=4 2137 B9R0.5 CCCOCC(=O)OCC 34a_100000210258_100000188475 [0,2,0,0,0,0|1,0,0]=3 2138 B9R0.5 CCCSCC(=O)CCC 1458a_100000217233_100000210303 [0,2,0,0,0,0|1,1,0]=4 2139 B9R0.5 CCCSCC(=O)CCC 62a_100000210303_100000747444 [0,2,0,0,0,0|1,1,0]=4 2140 B9R0.5 CCCSCC(=O)CCC 62a_100000747444_100000210303 [0,2,0,0,0,0|1,1,0]=4 2141 B9R0.5 CCCSCC(=O)CCF 1458a_100000217233_100011217306 [0,2,0,0,0,0|1,1,0]=4 2142 B9R0.5 CCCSCC(=O)CCO 1458a_100000217233_100000211926 [0,2,0,0,0,0|0,2,0]=4 2143 B9R0.5 CCCSCC(=O)NCC 11a_100015525214_100000217233 [0,2,0,0,0,0|2,0,0]=4 2144 B9R0.5 CCCSCC(=O)NCC 240690a_100015525214_100000217233 [0,2,0,0,0,0|2,0,0]=4 2145 B9R0.5 CCCSCC(=O)NCC 527a_100015525214_100000217233 [0,2,0,0,0,0|2,0,0]=4 2146 B9R0.5 CCCSCC(=O)NCC 62a_100000183381_100000210303 [0,2,0,0,0,0|2,0,0]=4 2147 B9R0.5 CCCSCC(=O)NCC 62a_100000210303_100000183381 [0,2,0,0,0,0|2,0,0]=4 2148 B9R0.5 CCCSCC(=O)OCC 62a_100000188475_100000210303 [0,2,0,0,0,0|1,0,0]=3 2149 B9R0.5 CCCSCC(=O)OCC 62a_100000210303_100000188475 [0,2,0,0,0,0|1,0,0]=3 2150 B9R0.5 CCNC(=O)C=COCC 11a_100015525214_100016266692 [0,2,0,0,0,0|2,0,0]=4 2151 B9R0.5 CCNC(=O)C=COCC 240690a_100015525214_100016266692 [0,2,0,0,0,0|2,0,0]=4 2152 B9R0.5 CCNC(=O)CCCC#N 11a_100015525214_100000075515 [0,2,0,0,0,0|2,0,0]=4 2153 B9R0.5 CCNC(=O)CCCC#N 240690a_100015525214_100000075515 [0,2,0,0,0,0|2,0,0]=4 2154 B9R0.5 CCNC(=O)CCCC#N 527a_100015525214_100000075515 [0,2,0,0,0,0|2,0,0]=4 2155 B9R0.5 CCNC(=O)CCCOC 11a_100015525214_100000741012 [0,2,0,0,0,0|1,1,0]=4 2156 B9R0.5 CCNC(=O)CCCOC 240690a_100015525214_100000741012 [0,2,0,0,0,0|1,1,0]=4 2157 B9R0.5 CCNC(=O)CCCOC 527a_100015525214_100000741012 [0,2,0,0,0,0|1,1,0]=4 2158 B9R0.5 CCNC(=O)CCCSC 11a_100015525214_100000173376 [0,2,0,0,0,0|1,0,0]=3 2159 B9R0.5 CCNC(=O)CCCSC 240690a_100015525214_100000173376 [0,2,0,0,0,0|1,0,0]=3 2160 B9R0.5 CCNC(=O)CCCSC 527a_100015525214_100000173376 [0,2,0,0,0,0|1,0,0]=3 2161 B9R0.5 CCNC(=O)CCN=[N+]=[N-] 11a_100015525214_100000688302 [0,2,0,0,0,0|2,0,0]=4 2162 B9R0.5 CCNC(=O)CCN=[N+]=[N-] 240690a_100015525214_100000688302 [0,2,0,0,0,0|2,0,0]=4 2163 B9R0.5 CCNC(=O)CCNCF 34a_100025743525_100015361967 [0,2,0,0,0,0|2,0,0]=4 2164 B9R0.5 CCNC(=O)CCOCC 11a_100015525214_100000749530 [0,2,0,0,0,0|1,1,0]=4 2165 B9R0.5 CCNC(=O)CCOCC 240690a_100015525214_100000749530 [0,2,0,0,0,0|1,1,0]=4 2166 B9R0.5 CCNC(=O)CCOCC 527a_100015525214_100000749530 [0,2,0,0,0,0|1,1,0]=4 2167 B9R0.5 CCNC(=O)CCSCC 11a_100015525214_100000230768 [0,2,0,0,0,0|1,0,0]=3 2168 B9R0.5 CCNC(=O)CCSCC 240690a_100015525214_100000230768 [0,2,0,0,0,0|1,0,0]=3 2169 B9R0.5 CCNC(=O)CCSCC 527a_100015525214_100000230768 [0,2,0,0,0,0|1,0,0]=3 2170 B9R0.5 CCNC(=O)CCSCC 62a_100000210202_100000737597 [0,2,0,0,0,0|1,0,0]=3 2171 B9R0.5 CCNC(=O)CCSCC 62a_100000737597_100000210202 [0,2,0,0,0,0|1,0,0]=3 2172 B9R0.5 CCNC(=O)CCSCF 62a_100000737597_100015361967 [0,2,0,0,0,0|1,0,0]=3 2173 B9R0.5 CCNC(=O)CCSCF 62a_100015361967_100000737597 [0,2,0,0,0,0|1,0,0]=3 2174 B9R0.5 CCNC(=O)CNCC#N 2230a_100016988866_100011215382 [0,2,0,0,0,0|2,0,0]=4 2175 B9R0.5 CCNC(=O)CNCC=O 2230a_100016988866_200015260668 [0,2,0,0,0,0|1,1,0]=4 2176 B9R0.5 CCNC(=O)CNCCF 2230a_100016988866_100011217306 [0,2,0,0,0,0|2,0,0]=4 2177 B9R0.5 CCNC(=O)CNCCF 34a_100000724931_100000183381 [0,2,0,0,0,0|2,0,0]=4 2178 B9R0.5 CCNC(=O)CNCCO 2230a_100016988866_100000211926 [0,2,0,0,0,0|1,1,0]=4 2179 B9R0.5 CCNC(=O)CNCCO 2230a_100016997473_100000183381 [0,2,0,0,0,0|1,1,0]=4 2180 B9R0.5 CCNC(=O)CNCCO 34a_100016990907_100000183381 [0,2,0,0,0,0|1,1,0]=4 2181 B9R0.5 CCNC(=O)CNCOC 2230a_100016988866_100000766300 [0,2,0,0,0,0|1,1,0]=4 2182 B9R0.5 CCNC(=O)CNCSC 2230a_100016988866_100011218213 [0,2,0,0,0,0|1,0,0]=3 2183 B9R0.5 CCNC(=O)COCCBr 34a_100000211926_100000183381 [0,2,0,0,0,0|2,0,0]=4 2184 B9R0.5 CCNC(=O)COCCN 34a_100000210304_100000183381 [0,2,0,0,0,0|2,0,0]=4 2185 B9R0.5 CCNC(=O)COCCO 240690a_100015525214_100000708028 [0,2,0,0,0,0|1,1,0]=4 2186 B9R0.5 CCNC(=O)CSCC#N 11a_100015525214_100000150266 [0,2,0,0,0,0|2,0,0]=4 2187 B9R0.5 CCNC(=O)CSCC#N 240690a_100015525214_100000150266 [0,2,0,0,0,0|2,0,0]=4 2188 B9R0.5 CCNC(=O)CSCC#N 62a_100000183381_100011215382 [0,2,0,0,0,0|2,0,0]=4 2189 B9R0.5 CCNC(=O)CSCC#N 62a_100011215382_100000183381 [0,2,0,0,0,0|2,0,0]=4 2190 B9R0.5 CCNC(=O)CSCC=O 62a_100000183381_200015260668 [0,2,0,0,0,0|1,1,0]=4 2191 B9R0.5 CCNC(=O)CSCC=O 62a_200015260668_100000183381 [0,2,0,0,0,0|1,1,0]=4 2192 B9R0.5 CCNC(=O)CSCCF 62a_100000183381_100011217306 [0,2,0,0,0,0|2,0,0]=4 2193 B9R0.5 CCNC(=O)CSCCF 62a_100011217306_100000183381 [0,2,0,0,0,0|2,0,0]=4 2194 B9R0.5 CCNC(=O)CSCCO 62a_100000183381_100000211926 [0,2,0,0,0,0|1,1,0]=4 2195 B9R0.5 CCNC(=O)CSCCO 62a_100000211926_100000183381 [0,2,0,0,0,0|1,1,0]=4 2196 B9R0.5 CCNC(=O)CSCOC 62a_100000183381_100000766300 [0,2,0,0,0,0|1,1,0]=4 2197 B9R0.5 CCNC(=O)CSCOC 62a_100000766300_100000183381 [0,2,0,0,0,0|1,1,0]=4 2198 B9R0.5 CCNC(=O)CSCSC 62a_100000183381_100011218213 [0,2,0,0,0,0|1,0,0]=3 2199 B9R0.5 CCNC(=O)CSCSC 62a_100011218213_100000183381 [0,2,0,0,0,0|1,0,0]=3 2200 B9R0.5 CCNC(=O)NCCC#N 2708a_100000720768_100015525214 [0,2,0,0,0,0|2,0,0]=4 2201 B9R0.5 CCNC(=O)NCCC#N 2708a_100015525214_100000720768 [0,2,0,0,0,0|2,0,0]=4 2202 B9R0.5 CCNC(=O)NCCC#N 273464a_100000720768_100015525214 [0,2,0,0,0,0|2,0,0]=4 2203 B9R0.5 CCNC(=O)NCCC#N 273464a_100015525214_100000720768 [0,2,0,0,0,0|2,0,0]=4 2204 B9R0.5 CCNC(=O)NCCC#N 512a_100000720768_100015525214 [0,2,0,0,0,0|2,0,0]=4 2205 B9R0.5 CCNC(=O)NCCC#N 512a_100015525214_100000720768 [0,2,0,0,0,0|2,0,0]=4 2206 B9R0.5 CCNC(=O)NCCCF 2708a_100015189416_100015525214 [0,2,0,0,0,0|2,0,0]=4 2207 B9R0.5 CCNC(=O)NCCCF 2708a_100015525214_100015189416 [0,2,0,0,0,0|2,0,0]=4 2208 B9R0.5 CCNC(=O)NCCCF 273464a_100015189416_100015525214 [0,2,0,0,0,0|2,0,0]=4 2209 B9R0.5 CCNC(=O)NCCCF 273464a_100015525214_100015189416 [0,2,0,0,0,0|2,0,0]=4 2210 B9R0.5 CCNC(=O)NCCCF 512a_100015189416_100015525214 [0,2,0,0,0,0|2,0,0]=4 2211 B9R0.5 CCNC(=O)NCCCF 512a_100015525214_100015189416 [0,2,0,0,0,0|2,0,0]=4 2212 B9R0.5 CCNC(=O)NCCCO 2708a_100015525214_100000182051 [0,2,0,0,0,0|1,1,0]=4 2213 B9R0.5 CCNC(=O)NCCCO 273464a_100000182051_100015525214 [0,2,0,0,0,0|1,1,0]=4 2214 B9R0.5 CCNC(=O)NCCCO 273464a_100015525214_100000182051 [0,2,0,0,0,0|1,1,0]=4 2215 B9R0.5 CCNC(=O)NCCCO 512a_100015525214_100000182051 [0,2,0,0,0,0|1,1,0]=4 2216 B9R0.5 CCNC(=O)NCCOC 2708a_100015525214_100000209980 [0,2,0,0,0,0|1,1,0]=4 2217 B9R0.5 CCNC(=O)NCCOC 273464a_100000209980_100015525214 [0,2,0,0,0,0|1,1,0]=4 2218 B9R0.5 CCNC(=O)NCCOC 273464a_100015525214_100000209980 [0,2,0,0,0,0|1,1,0]=4 2219 B9R0.5 CCNC(=O)NCCSC 2708a_100015525214_100020590264 [0,2,0,0,0,0|1,0,0]=3 2220 B9R0.5 CCNC(=O)NCCSC 2708a_100020590264_100015525214 [0,2,0,0,0,0|1,0,0]=3 2221 B9R0.5 CCNC(=O)NCCSC 273464a_100015525214_100020590264 [0,2,0,0,0,0|1,0,0]=3 2222 B9R0.5 CCNC(=O)NCCSC 273464a_100020590264_100015525214 [0,2,0,0,0,0|1,0,0]=3 2223 B9R0.5 CCNC(=O)NCCSC 512a_100015525214_100020590264 [0,2,0,0,0,0|1,0,0]=3 2224 B9R0.5 CCNC(=O)NCCSC 512a_100020590264_100015525214 [0,2,0,0,0,0|1,0,0]=3 2225 B9R0.5 CCNC(=O)NNCCO 273464a_100015525214_100000210001 [0,2,0,0,0,0|1,1,0]=4 2226 B9R0.5 CCNC(=O)NNCCO 512a_100015525214_100000210001 [0,2,0,0,0,0|1,1,0]=4 2227 B9R0.5 CCNCCC(=O)NCC 2230a_100015525214_100000737597 [0,2,0,0,0,0|2,0,0]=4 2228 B9R0.5 CCNCCC(=O)NCC 34a_100025743525_100000210202 [0,2,0,0,0,0|2,0,0]=4 2229 B9R0.5 CCNCCC(=O)OCC 2230a_100015525214_100011206558 [0,2,0,0,0,0|1,0,0]=3 2230 B9R0.5 CCNN=CC(=O)OCC 4a_100000756455_100000742314 [0,2,0,0,0,0|1,0,1]=4 2231 B9R0.5 CCOC(=O)/C=C/CNC 2230a_106832991635_100016267167 [0,2,0,0,0,0|1,0,1]=4 2232 B9R0.5 CCOC(=O)/C=C/CNC 34a_100102657272_100016267167 [0,2,0,0,0,0|1,0,1]=4 2233 B9R0.5 CCOC(=O)/C=C/CNC 7a_106832991635_100016267167 [0,2,0,0,0,0|1,0,1]=4 2234 B9R0.5 CCOC(=O)/C=C/COC 34a_100138415774_100016267167 [0,2,0,0,0,0|0,1,1]=4 2235 B9R0.5 CCOC(=O)/C=C/CSC 62a_100016267167_200000210301 [0,2,0,0,0,0|0,0,1]=3 2236 B9R0.5 CCOC(=O)/C=C/CSC 62a_200000210301_100016267167 [0,2,0,0,0,0|0,0,1]=3 2237 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_100016267167_200025704644 [0,2,0,0,0,0|0,0,1]=3 2238 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_200025704644_100016267167 [0,2,0,0,0,0|0,0,1]=3 2239 B9R0.5 CCOC(=O)CCCNC 2230a_106832991635_100009991533 [0,2,0,0,0,0|1,0,0]=3 2240 B9R0.5 CCOC(=O)CCCNC 34a_100102657272_100009991533 [0,2,0,0,0,0|1,0,0]=3 2241 B9R0.5 CCOC(=O)CCCNC 7a_106832991635_100011215271 [0,2,0,0,0,0|1,0,0]=3 2242 B9R0.5 CCOC(=O)CCCOC 34a_100138415774_100009991533 [0,2,0,0,0,0|0,1,0]=3 2243 B9R0.5 CCOC(=O)CCCOC 7a_100012001163_200000210301 [0,2,0,0,0,0|0,1,0]=3 2244 B9R0.5 CCOC(=O)CCCO[13CH3] 7a_100012001163_200025704644 [0,2,0,0,0,0|0,1,0]=3 2245 B9R0.5 CCOC(=O)CCCSC 62a_100009991533_200000210301 [0,2,0,0,0,0|0,0,0]=2 2246 B9R0.5 CCOC(=O)CCCSC 62a_200000210301_100009991533 [0,2,0,0,0,0|0,0,0]=2 2247 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_100009991533_200025704644 [0,2,0,0,0,0|0,0,0]=2 2248 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_200025704644_100009991533 [0,2,0,0,0,0|0,0,0]=2 2249 B9R0.5 CCOC(=O)CCSCC 62a_100000210202_100000765890 [0,2,0,0,0,0|0,0,0]=2 2250 B9R0.5 CCOC(=O)CCSCC 62a_100000765890_100000210202 [0,2,0,0,0,0|0,0,0]=2 2251 B9R0.5 CCOC(=O)CCSCF 62a_100000765890_100015361967 [0,2,0,0,0,0|0,0,0]=2 2252 B9R0.5 CCOC(=O)CCSCF 62a_100015361967_100000765890 [0,2,0,0,0,0|0,0,0]=2 2253 B9R0.5 CCOC(=O)CNCCF 34a_100000724931_100000188475 [0,2,0,0,0,0|1,0,0]=3 2254 B9R0.5 CCOC(=O)CNCCO 2230a_100016997473_100000188475 [0,2,0,0,0,0|0,1,0]=3 2255 B9R0.5 CCOC(=O)CNCCO 34a_100016990907_100000188475 [0,2,0,0,0,0|0,1,0]=3 2256 B9R0.5 CCOC(=O)COCCBr 34a_100000211926_100000188475 [0,2,0,0,0,0|1,0,0]=3 2257 B9R0.5 CCOC(=O)COCCN 34a_100000210304_100000188475 [0,2,0,0,0,0|1,0,0]=3 2258 B9R0.5 CCOC(=O)CSCC#N 62a_100000188475_100011215382 [0,2,0,0,0,0|1,0,0]=3 2259 B9R0.5 CCOC(=O)CSCC#N 62a_100011215382_100000188475 [0,2,0,0,0,0|1,0,0]=3 2260 B9R0.5 CCOC(=O)CSCC=O 62a_100000188475_200015260668 [0,2,0,0,0,0|0,1,0]=3 2261 B9R0.5 CCOC(=O)CSCC=O 62a_200015260668_100000188475 [0,2,0,0,0,0|0,1,0]=3 2262 B9R0.5 CCOC(=O)CSCCF 62a_100000188475_100011217306 [0,2,0,0,0,0|1,0,0]=3 2263 B9R0.5 CCOC(=O)CSCCF 62a_100011217306_100000188475 [0,2,0,0,0,0|1,0,0]=3 2264 B9R0.5 CCOC(=O)CSCCO 62a_100000188475_100000211926 [0,2,0,0,0,0|0,1,0]=3 2265 B9R0.5 CCOC(=O)CSCCO 62a_100000211926_100000188475 [0,2,0,0,0,0|0,1,0]=3 2266 B9R0.5 CCOC(=O)CSCOC 62a_100000188475_100000766300 [0,2,0,0,0,0|0,1,0]=3 2267 B9R0.5 CCOC(=O)CSCOC 62a_100000766300_100000188475 [0,2,0,0,0,0|0,1,0]=3 2268 B9R0.5 CCOC(=O)CSCSC 62a_100000188475_100011218213 [0,2,0,0,0,0|0,0,0]=2 2269 B9R0.5 CCOC(=O)CSCSC 62a_100011218213_100000188475 [0,2,0,0,0,0|0,0,0]=2 2270 B9R0.5 CCOC(=O)NCCNC 7a_106832991635_200011445536 [0,2,0,0,0,0|1,0,0]=3 2271 B9R0.5 CCOC(=O)NCCOC 34a_100000158857_200000210301 [0,2,0,0,0,0|0,1,0]=3 2272 B9R0.5 CCOC(=O)NCCO[13CH3] 34a_100000158857_200025704644 [0,2,0,0,0,0|0,1,0]=3 2273 B9R0.5 CCOC(=O)NCCSC 62a_200000210301_200011445536 [0,2,0,0,0,0|0,0,0]=2 2274 B9R0.5 CCOC(=O)NCCS[13CH3] 62a_200025704644_200011445536 [0,2,0,0,0,0|0,0,0]=2 2275 B9R0.5 CCOC(=O)OCSCC 62a_100000210202_100000075025 [0,2,0,0,0,0|1,0,0]=3 2276 B9R0.5 CCOC(=O)OCSCF 62a_100015361967_100000075025 [0,2,0,0,0,0|1,0,0]=3 2277 B9R0.5 CCOC=CC(=O)CC#N 1458a_100016266692_100011214920 [0,2,0,0,0,0|1,0,1]=4 2278 B9R0.5 CCOC=CC(=O)CCF 1458a_100016266692_100011217306 [0,2,0,0,0,0|1,0,0]=3 2279 B9R0.5 CCOC=CC(=O)CCO 1458a_100016266692_100000211926 [0,2,0,0,0,0|0,1,0]=3 2280 B9R0.5 CCOCCC(=O)CC#N 1458a_100000749530_100011214920 [0,2,0,0,0,0|1,0,1]=4 2281 B9R0.5 CCOCCC(=O)CC#N 1458a_100051588842_100011215890 [0,2,0,0,0,0|1,0,1]=4 2282 B9R0.5 CCOCCC(=O)CCF 1458a_100000749530_100011217306 [0,2,0,0,0,0|1,0,0]=3 2283 B9R0.5 CCOCCC(=O)CCO 1458a_100000749530_100000211926 [0,2,0,0,0,0|0,1,0]=3 2284 B9R0.5 CCOCCC(=O)CCO 1458a_100011216618_100011215890 [0,2,0,0,0,0|0,1,0]=3 2285 B9R0.5 CCOCCC(=O)COC 1458a_100000210968_100011215890 [0,2,0,0,0,0|2,0,0]=4 2286 B9R0.5 CCOCCC(=O)CSC 1458a_100000184570_100011215890 [0,2,0,0,0,0|2,0,0]=4 2287 B9R0.5 CCOCCC(=O)OCC 34a_100121572206_100000765890 [0,2,0,0,0,0|0,1,0]=3 2288 B9R0.5 CCSCCC(=O)CCF 1458a_100000230768_100011217306 [0,2,0,0,0,0|1,1,0]=4 2289 B9R0.5 CCSCCC(=O)CCO 1458a_100000230768_100000211926 [0,2,0,0,0,0|0,2,0]=4 2290 B9R0.5 CCSCCC(=O)CCO 1458a_100011216618_100000757381 [0,2,0,0,0,0|0,2,0]=4 2291 B9R0.5 CCSCCC(=O)COC 1458a_100000210968_100000757381 [0,2,0,0,0,0|2,0,0]=4 2292 B9R0.5 CCSCCC(=O)CSC 1458a_100000184570_100000757381 [0,2,0,0,0,0|2,0,0]=4 2293 B9R0.5 CCSCCC(=O)NNC 22a_100016993582_100000230768 [0,2,0,0,0,0|2,0,0]=4 2294 B9R0.5 CNCC(=O)OCCOC 2230a_106832991635_200000040189 [0,2,0,0,0,0|2,0,0]=4 2295 B9R0.5 CNCC(=O)OCCOC 34a_100102657272_200000040189 [0,2,0,0,0,0|2,0,0]=4 2296 B9R0.5 CNCC(=O)OCCOC 7a_106832991635_200000040189 [0,2,0,0,0,0|2,0,0]=4 2297 B9R0.5 CNNC(=O)CCCSC 22a_100016993582_100000173376 [0,2,0,0,0,0|2,0,0]=4 2298 B9R0.5 CNNC(=O)NCCSC 273464a_100020590264_100016993582 [0,2,0,0,0,0|2,0,0]=4 2299 B9R0.5 CNNC(=O)NCCSC 512a_100016993582_100020590264 [0,2,0,0,0,0|2,0,0]=4 2300 B9R0.5 CNNC(=O)NCCSC 512a_100020590264_100016993582 [0,2,0,0,0,0|2,0,0]=4 2301 B9R0.5 COCC(=O)NCCSC 11a_100020590264_100000210968 [0,2,0,0,0,0|2,0,0]=4 2302 B9R0.5 COCC(=O)NCCSC 1626a_100020590264_100000210968 [0,2,0,0,0,0|2,0,0]=4 2303 B9R0.5 COCC(=O)NCCSC 240690a_100020590264_100000210968 [0,2,0,0,0,0|2,0,0]=4 2304 B9R0.5 COCC(=O)NCCSC 527a_100020590264_100000210968 [0,2,0,0,0,0|2,0,0]=4 2305 B9R0.5 COCC=CC(=O)CCF 1458a_100016285016_100011217306 [0,2,0,0,0,0|2,0,0]=4 2306 B9R0.5 COCC=CC(=O)CCO 1458a_100016285016_100000211926 [0,2,0,0,0,0|1,1,0]=4 2307 B9R0.5 COCCCC(=O)CCF 1458a_100000741012_100011217306 [0,2,0,0,0,0|2,0,0]=4 2308 B9R0.5 COCCCC(=O)CCO 1458a_100000741012_100000211926 [0,2,0,0,0,0|1,1,0]=4 2309 B9R0.5 COCCCC(=O)CCO 1458a_100011216618_100000740836 [0,2,0,0,0,0|1,1,0]=4 2310 B9R0.5 COCCNC(=O)CCO 240690a_100000209980_100011216618 [0,2,0,0,0,0|1,1,0]=4 2311 B9R0.5 COCCOC(=O)COC 34a_100138415774_200000040189 [0,2,0,0,0,0|2,0,0]=4 2312 B9R0.5 COCCOC(=O)CSC 62a_200000040189_200000210301 [0,2,0,0,0,0|2,0,0]=4 2313 B9R0.5 COCCOC(=O)CSC 62a_200000210301_200000040189 [0,2,0,0,0,0|2,0,0]=4 2314 B9R0.5 COCCOC(=O)CS[13CH3] 62a_200000040189_200025704644 [0,2,0,0,0,0|2,0,0]=4 2315 B9R0.5 COCCOC(=O)CS[13CH3] 62a_200025704644_200000040189 [0,2,0,0,0,0|2,0,0]=4 2316 B9R0.5 CSCCCC(=O)CCF 1458a_100000173376_100011217306 [0,2,0,0,0,0|2,0,0]=4 2317 B9R0.5 CSCCCC(=O)CCO 1458a_100000173376_100000211926 [0,2,0,0,0,0|1,1,0]=4 2318 B9R0.5 CSCCNC(=O)CCO 240690a_100020590264_100011216618 [0,2,0,0,0,0|1,1,0]=4 2319 B9R0.5 CSCCNC(=O)CSC 11a_100020590264_100000184570 [0,2,0,0,0,0|2,0,0]=4 2320 B9R0.5 CSCCNC(=O)CSC 1626a_100020590264_100000184570 [0,2,0,0,0,0|2,0,0]=4 2321 B9R0.5 CSCCNC(=O)CSC 240690a_100020590264_100000184570 [0,2,0,0,0,0|2,0,0]=4 2322 B9R0.5 CSCCNC(=O)CSC 527a_100020590264_100000184570 [0,2,0,0,0,0|2,0,0]=4 2323 B9R0.5 CSCSCC(=O)NCO 62a_100000185155_100011218213 [0,2,0,0,0,0|2,0,0]=4 2324 B9R0.5 CSCSCC(=O)NCO 62a_100011218213_100000185155 [0,2,0,0,0,0|2,0,0]=4 2325 B9R0.5 N#CCC(=O)COCCO 1458a_100000708028_100011214920 [0,2,0,0,0,0|1,0,1]=4 2326 B9R0.5 N#CCCCC(=O)CCF 1458a_100000075515_100011217306 [0,2,0,0,0,0|2,0,0]=4 2327 B9R0.5 N#CCCCC(=O)CCO 1458a_100000075515_100000211926 [0,2,0,0,0,0|1,1,0]=4 2328 B9R0.5 N#CCCCC(=O)CCO 1458a_100011216618_100000211468 [0,2,0,0,0,0|1,1,0]=4 2329 B9R0.5 N#CCCNC(=O)CCO 240690a_100000720768_100011216618 [0,2,0,0,0,0|1,1,0]=4 2330 B9R0.5 NCCOCC(=O)NCO 34a_100000210304_100000185155 [0,2,0,0,0,0|1,1,0]=4 2331 B9R0.5 O=C(CCF)CCCCO 1458a_100000695505_100011217306 [0,2,0,0,0,0|2,0,0]=4 2332 B9R0.5 O=C(CCF)COCCO 1458a_100000708028_100011217306 [0,2,0,0,0,0|1,0,0]=3 2333 B9R0.5 O=C(CCO)CCCCF 1458a_100011216618_100000729493 [0,2,0,0,0,0|1,1,0]=4 2334 B9R0.5 O=C(CCO)CCCCO 1458a_100000695505_100000211926 [0,2,0,0,0,0|1,1,0]=4 2335 B9R0.5 O=C(CCO)CCCCO 1458a_100011216618_100000210776 [0,2,0,0,0,0|1,1,0]=4 2336 B9R0.5 O=C(CCO)COCCO 1458a_100000708028_100000211926 [0,2,0,0,0,0|0,1,0]=3 2337 B9R0.5 O=C(CCO)NCCCF 240690a_100015189416_100011216618 [0,2,0,0,0,0|1,1,0]=4 2338 B9R0.5 O=C(CCO)NCCCO 240690a_100000182051_100011216618 [0,2,0,0,0,0|1,1,0]=4 2339 B9R0.5 O=C(CCO)NNCCO 22a_100000210001_100011216618 [0,2,0,0,0,0|1,1,0]=4 2340 B9R0.5 O=C(COCCBr)NCO 34a_100000211926_100000185155 [0,2,0,0,0,0|1,1,0]=4 2341 B9R0.8 C#CC(C)C(=O)COCC 1458a_100000211967_200000035995 [0,2,0,0,0,0|1,0,1]=4 2342 B9R0.8 C#CCCC(=O)C(C)CC 1458a_100000692101_100000758301 [0,2,0,0,0,0|2,0,0]=4 2343 B9R0.8 C#CCCC(=O)C(C)CC 1458a_100011192722_100000753159 [0,2,0,0,0,0|2,0,0]=4 2344 B9R0.8 C#CCCC(=O)C(O)CC 1458a_100011196387_100000753159 [0,2,0,0,0,0|2,0,0]=4 2345 B9R0.8 C#CCCC(=O)N(C)CC 11a_100000225621_100000692101 [0,2,0,0,0,0|2,0,0]=4 2346 B9R0.8 C#CCCC(=O)N(C)CC 1626a_100000225621_100000692101 [0,2,0,0,0,0|2,0,0]=4 2347 B9R0.8 C#CCCC(=O)N(C)CC 240690a_100000225621_100000692101 [0,2,0,0,0,0|2,0,0]=4 2348 B9R0.8 C#CCCC(=O)N(C)CC 527a_100000225621_100000692101 [0,2,0,0,0,0|2,0,0]=4 2349 B9R0.8 C/C=C(\C)/C(=O)CCSC 1458a_100020587367_100000751147 [0,2,0,0,0,0|1,0,1]=4 2350 B9R0.8 C=CCCC(=O)C(C)CC 1458a_100000749702_100000758301 [0,2,0,0,0,0|2,0,0]=4 2351 B9R0.8 C=CCCC(=O)C(C)CC 1458a_100011192722_100000754431 [0,2,0,0,0,0|2,0,0]=4 2352 B9R0.8 C=CCCC(=O)C(O)CC 1458a_100011196387_100000754431 [0,2,0,0,0,0|2,0,0]=4 2353 B9R0.8 C=CCCC(=O)N(C)CC 11a_100000225621_100000749702 [0,2,0,0,0,0|2,0,0]=4 2354 B9R0.8 C=CCCC(=O)N(C)CC 1626a_100000225621_100000749702 [0,2,0,0,0,0|2,0,0]=4 2355 B9R0.8 C=CCCC(=O)N(C)CC 240690a_100000225621_100000749702 [0,2,0,0,0,0|2,0,0]=4 2356 B9R0.8 C=CCCC(=O)N(C)CC 527a_100000225621_100000749702 [0,2,0,0,0,0|2,0,0]=4 2357 B9R0.8 CCC#CC(=O)C(C)CC 1458a_100011827653_100000758301 [0,2,0,0,0,0|2,0,0]=4 2358 B9R0.8 CCC(C)C(=O)CCC#N 1458a_100011192722_100011215226 [0,2,0,0,0,0|2,0,0]=4 2359 B9R0.8 CCC(C)C(=O)CCC#N 1458a_100011934036_100000758301 [0,2,0,0,0,0|2,0,0]=4 2360 B9R0.8 CCC(C)C(=O)CCCF 1458a_100011192722_100011934791 [0,2,0,0,0,0|2,0,0]=4 2361 B9R0.8 CCC(C)C(=O)CCCO 1458a_100011192722_100011215043 [0,2,0,0,0,0|1,1,0]=4 2362 B9R0.8 CCC(C)C(=O)CCOC 1458a_100000749529_100000758301 [0,2,0,0,0,0|1,1,0]=4 2363 B9R0.8 CCC(C)C(=O)CCOC 1458a_100011192722_100000233755 [0,2,0,0,0,0|1,1,0]=4 2364 B9R0.8 CCC(C)C(=O)CCSC 1458a_100000174002_100000758301 [0,2,0,0,0,0|1,0,0]=3 2365 B9R0.8 CCC(C)C(=O)CCSC 1458a_100011192722_100000751147 [0,2,0,0,0,0|1,0,0]=3 2366 B9R0.8 CCC(C)C(=O)NCCF 11a_100000724931_100011192722 [0,2,0,0,0,0|2,0,0]=4 2367 B9R0.8 CCC(C)C(=O)NCCF 1626a_100000724931_100011192722 [0,2,0,0,0,0|2,0,0]=4 2368 B9R0.8 CCC(C)C(=O)NCCF 240690a_100000724931_100011192722 [0,2,0,0,0,0|2,0,0]=4 2369 B9R0.8 CCC(C)C(=O)NCCF 527a_100000724931_100011192722 [0,2,0,0,0,0|2,0,0]=4 2370 B9R0.8 CCC(C)C(=O)NCCO 240690a_100000210304_100011192722 [0,2,0,0,0,0|1,1,0]=4 2371 B9R0.8 CCC(C)C(=O)NCCO 527a_100000210304_100011192722 [0,2,0,0,0,0|1,1,0]=4 2372 B9R0.8 CCC(O)C(=O)CCC#N 1458a_100011196387_100011215226 [0,2,0,0,0,0|2,0,0]=4 2373 B9R0.8 CCC(O)C(=O)CCCF 1458a_100011196387_100011934791 [0,2,0,0,0,0|2,0,0]=4 2374 B9R0.8 CCC(O)C(=O)CCCO 1458a_100011196387_100011215043 [0,2,0,0,0,0|1,1,0]=4 2375 B9R0.8 CCC(O)C(=O)CCOC 1458a_100011196387_100000233755 [0,2,0,0,0,0|1,1,0]=4 2376 B9R0.8 CCC(O)C(=O)CCSC 1458a_100011196387_100000751147 [0,2,0,0,0,0|1,0,0]=3 2377 B9R0.8 CCC(O)C(=O)NCCF 240690a_100000724931_100011196387 [0,2,0,0,0,0|2,0,0]=4 2378 B9R0.8 CCC(O)C(=O)NCCO 240690a_100000210304_100011196387 [0,2,0,0,0,0|1,1,0]=4 2379 B9R0.8 CCC=CC(=O)C(C)CC 1458a_100000212282_100000758301 [0,2,0,0,0,0|2,0,0]=4 2380 B9R0.8 CCCCC(=O)C(C)CC 1458a_100000210183_100000758301 [0,2,0,0,0,0|2,0,0]=4 2381 B9R0.8 CCCCC(=O)C(C)CC 1458a_100011192722_100000210211 [0,2,0,0,0,0|2,0,0]=4 2382 B9R0.8 CCCCC(=O)C(O)CC 1458a_100011196387_100000210211 [0,2,0,0,0,0|2,0,0]=4 2383 B9R0.8 CCCCC(=O)C(O)CO 1458a_100011215603_100000210211 [0,2,0,0,0,0|1,1,0]=4 2384 B9R0.8 CCCCC(=O)N(C)CC 11a_100000225621_100000210183 [0,2,0,0,0,0|2,0,0]=4 2385 B9R0.8 CCCCC(=O)N(C)CC 1626a_100000225621_100000210183 [0,2,0,0,0,0|2,0,0]=4 2386 B9R0.8 CCCCC(=O)N(C)CC 240690a_100000225621_100000210183 [0,2,0,0,0,0|2,0,0]=4 2387 B9R0.8 CCCCC(=O)N(C)CC 527a_100000225621_100000210183 [0,2,0,0,0,0|2,0,0]=4 2388 B9R0.8 CCCNC(=O)C(=O)CC 1458a_200011297150_100000210202 [0,2,0,0,0,0|2,0,0]=4 2389 B9R0.8 CCCNC(=O)C(C)CC 11a_100020643023_100011192722 [0,2,0,0,0,0|2,0,0]=4 2390 B9R0.8 CCCNC(=O)C(C)CC 1626a_100020643023_100011192722 [0,2,0,0,0,0|2,0,0]=4 2391 B9R0.8 CCCNC(=O)C(C)CC 240690a_100020643023_100011192722 [0,2,0,0,0,0|2,0,0]=4 2392 B9R0.8 CCCNC(=O)C(C)CC 527a_100020643023_100011192722 [0,2,0,0,0,0|2,0,0]=4 2393 B9R0.8 CCCNC(=O)C(O)CC 240690a_100020643023_100011196387 [0,2,0,0,0,0|2,0,0]=4 2394 B9R0.8 CCCNC(=O)C(O)CO 240690a_100020643023_100011215603 [0,2,0,0,0,0|1,1,0]=4 2395 B9R0.8 CCCNC(=O)N(C)CC 2708a_100020643023_100000225621 [0,2,0,0,0,0|2,0,0]=4 2396 B9R0.8 CCCNC(=O)N(C)CC 273464a_100020643023_100000225621 [0,2,0,0,0,0|2,0,0]=4 2397 B9R0.8 CCCOC(=O)C(C)NC 2230a_106832991635_100000760410 [0,2,0,0,0,0|2,0,0]=4 2398 B9R0.8 CCCOC(=O)C(C)NC 34a_100102657272_100000760410 [0,2,0,0,0,0|2,0,0]=4 2399 B9R0.8 CCCOC(=O)C(C)NC 7a_106832991635_100000760410 [0,2,0,0,0,0|2,0,0]=4 2400 B9R0.8 CCCOC(=O)C(C)OC 34a_100000037348_200000210301 [0,2,0,0,0,0|2,0,0]=4 2401 B9R0.8 CCCOC(=O)C(C)OC 34a_100138415774_100000760410 [0,2,0,0,0,0|2,0,0]=4 2402 B9R0.8 CCCOC(=O)C(C)OC 7a_100000037348_200000210301 [0,2,0,0,0,0|2,0,0]=4 2403 B9R0.8 CCCOC(=O)C(C)O[13CH3] 34a_100000037348_200025704644 [0,2,0,0,0,0|2,0,0]=4 2404 B9R0.8 CCCOC(=O)C(C)O[13CH3] 7a_100000037348_200025704644 [0,2,0,0,0,0|2,0,0]=4 2405 B9R0.8 CCCOC(=O)C(C)SC 62a_100000760410_200000210301 [0,2,0,0,0,0|2,0,0]=4 2406 B9R0.8 CCCOC(=O)C(C)SC 62a_200000210301_100000760410 [0,2,0,0,0,0|2,0,0]=4 2407 B9R0.8 CCCOC(=O)C(C)S[13CH3] 62a_100000760410_200025704644 [0,2,0,0,0,0|2,0,0]=4 2408 B9R0.8 CCCOC(=O)C(C)S[13CH3] 62a_200025704644_100000760410 [0,2,0,0,0,0|2,0,0]=4 2409 B9R0.8 CCN(C)C(=O)CCC#N 11a_100000225621_100011934036 [0,2,0,0,0,0|2,0,0]=4 2410 B9R0.8 CCN(C)C(=O)CCC#N 1626a_100000225621_100011934036 [0,2,0,0,0,0|2,0,0]=4 2411 B9R0.8 CCN(C)C(=O)CCC#N 240690a_100000225621_100011934036 [0,2,0,0,0,0|2,0,0]=4 2412 B9R0.8 CCN(C)C(=O)CCC#N 527a_100000225621_100011934036 [0,2,0,0,0,0|2,0,0]=4 2413 B9R0.8 CCN(C)C(=O)CCOC 11a_100000225621_100000749529 [0,2,0,0,0,0|1,1,0]=4 2414 B9R0.8 CCN(C)C(=O)CCOC 1626a_100000225621_100000749529 [0,2,0,0,0,0|1,1,0]=4 2415 B9R0.8 CCN(C)C(=O)CCOC 240690a_100000225621_100000749529 [0,2,0,0,0,0|1,1,0]=4 2416 B9R0.8 CCN(C)C(=O)CCOC 527a_100000225621_100000749529 [0,2,0,0,0,0|1,1,0]=4 2417 B9R0.8 CCN(C)C(=O)CCSC 11a_100000225621_100000174002 [0,2,0,0,0,0|1,0,0]=3 2418 B9R0.8 CCN(C)C(=O)CCSC 1626a_100000225621_100000174002 [0,2,0,0,0,0|1,0,0]=3 2419 B9R0.8 CCN(C)C(=O)CCSC 240690a_100000225621_100000174002 [0,2,0,0,0,0|1,0,0]=3 2420 B9R0.8 CCN(C)C(=O)CCSC 527a_100000225621_100000174002 [0,2,0,0,0,0|1,0,0]=3 2421 B9R0.8 CCN(C)C(=O)CSCF 62a_100000738999_100015361967 [0,2,0,0,0,0|2,0,0]=4 2422 B9R0.8 CCN(C)C(=O)CSCF 62a_100015361967_100000738999 [0,2,0,0,0,0|2,0,0]=4 2423 B9R0.8 CCN(C)C(=O)NCCF 273464a_100000724931_100000225621 [0,2,0,0,0,0|2,0,0]=4 2424 B9R0.8 CCN(C)C(=O)NCCO 273464a_100000210304_100000225621 [0,2,0,0,0,0|1,1,0]=4 2425 B9R0.8 CCNCC(=O)N(C)CC 2230a_100015525214_100000738999 [0,2,0,0,0,0|2,0,0]=4 2426 B9R0.8 CCNNC(=O)C(C)CC 22a_100000756455_100011192722 [0,2,0,0,0,0|2,0,0]=4 2427 B9R0.8 CCNNC(=O)C(O)CC 22a_100000756455_100011196387 [0,2,0,0,0,0|2,0,0]=4 2428 B9R0.8 CCNNC(=O)C(O)CO 22a_100000756455_100011215603 [0,2,0,0,0,0|1,1,0]=4 2429 B9R0.8 CCOCC(=O)C(C)C#N 1458a_100000211967_100000703298 [0,2,0,0,0,0|1,0,1]=4 2430 B9R0.8 CCOCC(=O)C(C)CC 1458a_100000211967_100000758301 [0,2,0,0,0,0|1,0,0]=3 2431 B9R0.8 CCOCC(=O)N(C)CC 11a_100000225621_100000211967 [0,2,0,0,0,0|2,0,0]=4 2432 B9R0.8 CCOCC(=O)N(C)CC 1626a_100000225621_100000211967 [0,2,0,0,0,0|2,0,0]=4 2433 B9R0.8 CCOCC(=O)N(C)CC 240690a_100000225621_100000211967 [0,2,0,0,0,0|2,0,0]=4 2434 B9R0.8 CCOCC(=O)N(C)CC 34a_100121572206_100000738999 [0,2,0,0,0,0|2,0,0]=4 2435 B9R0.8 CCOCC(=O)N(C)CC 527a_100000225621_100000211967 [0,2,0,0,0,0|2,0,0]=4 2436 B9R0.8 CCSCC(=O)C(C)CC 1458a_100000230394_100000758301 [0,2,0,0,0,0|1,1,0]=4 2437 B9R0.8 CCSCC(=O)N(C)CC 11a_100000225621_100000230394 [0,2,0,0,0,0|2,0,0]=4 2438 B9R0.8 CCSCC(=O)N(C)CC 1626a_100000225621_100000230394 [0,2,0,0,0,0|2,0,0]=4 2439 B9R0.8 CCSCC(=O)N(C)CC 240690a_100000225621_100000230394 [0,2,0,0,0,0|2,0,0]=4 2440 B9R0.8 CCSCC(=O)N(C)CC 527a_100000225621_100000230394 [0,2,0,0,0,0|2,0,0]=4 2441 B9R0.8 CCSCC(=O)N(C)CC 62a_100000210202_100000738999 [0,2,0,0,0,0|2,0,0]=4 2442 B9R0.8 CCSCC(=O)N(C)CC 62a_100000738999_100000210202 [0,2,0,0,0,0|2,0,0]=4 2443 B9R0.8 CNC(=O)C(=O)CCSC 1458a_100011218921_100000751147 [0,2,0,0,0,0|2,0,0]=4 2444 B9R0.8 COC(C)C(=O)CCSC 1458a_100000743197_100000751147 [0,2,0,0,0,0|2,0,0]=4 2445 B9R0.8 COCCC(=O)C(O)CO 1458a_100011215603_100000233755 [0,2,0,0,0,0|1,1,0]=4 2446 B9R0.8 CSCCC(=O)C(C)SC 1458a_100000149566_100000751147 [0,2,0,0,0,0|2,0,0]=4 2447 B9R0.8 CSCCC(=O)C(O)CO 1458a_100011215603_100000751147 [0,2,0,0,0,0|1,1,0]=4 2448 B9R0.8 O=C(CCCF)C(O)CO 1458a_100011215603_100011934791 [0,2,0,0,0,0|1,1,0]=4 2449 B9R0.8 O=C(CCCO)C(O)CO 1458a_100011215603_100011215043 [0,2,0,0,0,0|1,1,0]=4 2450 B9R0.8 O=C(NCCF)C(O)CO 240690a_100000724931_100011215603 [0,2,0,0,0,0|1,1,0]=4 2451 B9R0.8 O=C(NCCO)C(O)CO 240690a_100000210304_100011215603 [0,2,0,0,0,0|1,1,0]=4 2452 B9R0.18 C#CCCC(=O)C#CCC 1458a_100011827653_100000753159 [0,2,0,0,0,0|2,0,0]=4 2453 B9R0.18 C#CCCC(=O)C=CCC 1458a_100000212282_100000753159 [0,2,0,0,0,0|2,0,0]=4 2454 B9R0.18 C#CCCC(=O)CCCC 1458a_100000210183_100000753159 [0,2,0,0,0,0|2,0,0]=4 2455 B9R0.18 C#CCCC(=O)CCCC 1458a_100000692101_100000210211 [0,2,0,0,0,0|2,0,0]=4 2456 B9R0.18 C#CCCC(=O)CCCF 1458a_100000692101_100011934791 [0,2,0,0,0,0|2,0,0]=4 2457 B9R0.18 C#CCCC(=O)CCCO 1458a_100000692101_100011215043 [0,2,0,0,0,0|2,0,0]=4 2458 B9R0.18 C#CCCC(=O)CCOC 1458a_100000692101_100000233755 [0,2,0,0,0,0|2,0,0]=4 2459 B9R0.18 C#CCCC(=O)CCOC 1458a_100000749529_100000753159 [0,2,0,0,0,0|2,0,0]=4 2460 B9R0.18 C#CCCC(=O)CCOC 34a_100011064465_200000210301 [0,2,0,0,0,0|2,0,0]=4 2461 B9R0.18 C#CCCC(=O)CCOC 7a_100011064465_200000210301 [0,2,0,0,0,0|2,0,0]=4 2462 B9R0.18 C#CCCC(=O)CCO[13CH3] 34a_100011064465_200025704644 [0,2,0,0,0,0|2,0,0]=4 2463 B9R0.18 C#CCCC(=O)CCO[13CH3] 7a_100011064465_200025704644 [0,2,0,0,0,0|2,0,0]=4 2464 B9R0.18 C#CCCC(=O)CCSC 1458a_100000174002_100000753159 [0,2,0,0,0,0|1,0,1]=4 2465 B9R0.18 C#CCCC(=O)CCSC 1458a_100000692101_100000751147 [0,2,0,0,0,0|1,0,1]=4 2466 B9R0.18 C#CCCC(=O)COCC 1458a_100000211967_100000753159 [0,2,0,0,0,0|1,0,0]=3 2467 B9R0.18 C#CCCC(=O)CSCC 1458a_100000230394_100000753159 [0,2,0,0,0,0|1,1,0]=4 2468 B9R0.18 C#CCCC(=O)NCCC 11a_100020643023_100000692101 [0,2,0,0,0,0|2,0,0]=4 2469 B9R0.18 C#CCCC(=O)NCCC 1626a_100020643023_100000692101 [0,2,0,0,0,0|2,0,0]=4 2470 B9R0.18 C#CCCC(=O)NCCC 240690a_100020643023_100000692101 [0,2,0,0,0,0|2,0,0]=4 2471 B9R0.18 C#CCCC(=O)NCCC 527a_100020643023_100000692101 [0,2,0,0,0,0|2,0,0]=4 2472 B9R0.18 C#CCCC(=O)NCCF 11a_100000724931_100000692101 [0,2,0,0,0,0|2,0,0]=4 2473 B9R0.18 C#CCCC(=O)NCCF 1626a_100000724931_100000692101 [0,2,0,0,0,0|2,0,0]=4 2474 B9R0.18 C#CCCC(=O)NCCF 240690a_100000724931_100000692101 [0,2,0,0,0,0|2,0,0]=4 2475 B9R0.18 C#CCCC(=O)NCCF 527a_100000724931_100000692101 [0,2,0,0,0,0|2,0,0]=4 2476 B9R0.18 C#CCCC(=O)NCCO 240690a_100000210304_100000692101 [0,2,0,0,0,0|2,0,0]=4 2477 B9R0.18 C#CCCC(=O)NCCO 527a_100000210304_100000692101 [0,2,0,0,0,0|2,0,0]=4 2478 B9R0.18 C#CCCC(=O)NNCC 22a_100000756455_100000692101 [0,2,0,0,0,0|2,0,0]=4 2479 B9R0.18 C#CCNC(=O)CCSC 11a_100000212058_100000174002 [0,2,0,0,0,0|1,0,1]=4 2480 B9R0.18 C#CCNC(=O)CCSC 1626a_100000212058_100000174002 [0,2,0,0,0,0|1,0,1]=4 2481 B9R0.18 C#CCNC(=O)CCSC 240690a_100000212058_100000174002 [0,2,0,0,0,0|1,0,1]=4 2482 B9R0.18 C#CCNC(=O)CCSC 527a_100000212058_100000174002 [0,2,0,0,0,0|1,0,1]=4 2483 B9R0.18 C#CCNC(=O)COCC 11a_100000212058_100000211967 [0,2,0,0,0,0|1,0,1]=4 2484 B9R0.18 C#CCNC(=O)COCC 1626a_100000212058_100000211967 [0,2,0,0,0,0|1,0,1]=4 2485 B9R0.18 C#CCNC(=O)COCC 240690a_100000212058_100000211967 [0,2,0,0,0,0|1,0,1]=4 2486 B9R0.18 C#CCNC(=O)COCC 527a_100000212058_100000211967 [0,2,0,0,0,0|1,0,1]=4 2487 B9R0.18 C/C=C/CC(=O)CCSC 1458a_100000174002_100102629194 [0,2,0,0,0,0|1,0,1]=4 2488 B9R0.18 C/C=C/CC(=O)COCC 1458a_100000211967_100102629194 [0,2,0,0,0,0|1,0,1]=4 2489 B9R0.18 C=C(COCC)OCOC 34a_100121572206_100000042856 [0,2,0,0,0,0|2,0,0]=4 2490 B9R0.18 C=C(CSCC)OCOC 62a_100000042856_100000210202 [0,2,0,0,0,0|2,0,0]=4 2491 B9R0.18 C=C(CSCC)OCOC 62a_100000210202_100000042856 [0,2,0,0,0,0|2,0,0]=4 2492 B9R0.18 C=C(CSCF)OCOC 62a_100000042856_100015361967 [0,2,0,0,0,0|2,0,0]=4 2493 B9R0.18 C=C(CSCF)OCOC 62a_100015361967_100000042856 [0,2,0,0,0,0|2,0,0]=4 2494 B9R0.18 C=CCCC(=O)C#CCC 1458a_100011827653_100000754431 [0,2,0,0,0,0|2,0,0]=4 2495 B9R0.18 C=CCCC(=O)C=CCC 1458a_100000212282_100000754431 [0,2,0,0,0,0|2,0,0]=4 2496 B9R0.18 C=CCCC(=O)CCCC 1458a_100000210183_100000754431 [0,2,0,0,0,0|2,0,0]=4 2497 B9R0.18 C=CCCC(=O)CCCC 1458a_100000749702_100000210211 [0,2,0,0,0,0|2,0,0]=4 2498 B9R0.18 C=CCCC(=O)CCCF 1458a_100000749702_100011934791 [0,2,0,0,0,0|2,0,0]=4 2499 B9R0.18 C=CCCC(=O)CCCO 1458a_100000749702_100011215043 [0,2,0,0,0,0|2,0,0]=4 2500 B9R0.18 C=CCCC(=O)CCOC 1458a_100000749529_100000754431 [0,2,0,0,0,0|2,0,0]=4 2501 B9R0.18 C=CCCC(=O)CCOC 1458a_100000749702_100000233755 [0,2,0,0,0,0|2,0,0]=4 2502 B9R0.18 C=CCCC(=O)CCSC 1458a_100000174002_100000754431 [0,2,0,0,0,0|1,0,1]=4 2503 B9R0.18 C=CCCC(=O)CCSC 1458a_100000749702_100000751147 [0,2,0,0,0,0|1,0,1]=4 2504 B9R0.18 C=CCCC(=O)COCC 1458a_100000211967_100000754431 [0,2,0,0,0,0|1,0,0]=3 2505 B9R0.18 C=CCCC(=O)CSCC 1458a_100000230394_100000754431 [0,2,0,0,0,0|1,1,0]=4 2506 B9R0.18 C=CCCC(=O)NCCC 11a_100020643023_100000749702 [0,2,0,0,0,0|2,0,0]=4 2507 B9R0.18 C=CCCC(=O)NCCC 1626a_100020643023_100000749702 [0,2,0,0,0,0|2,0,0]=4 2508 B9R0.18 C=CCCC(=O)NCCC 240690a_100020643023_100000749702 [0,2,0,0,0,0|2,0,0]=4 2509 B9R0.18 C=CCCC(=O)NCCC 527a_100020643023_100000749702 [0,2,0,0,0,0|2,0,0]=4 2510 B9R0.18 C=CCCC(=O)NCCF 11a_100000724931_100000749702 [0,2,0,0,0,0|2,0,0]=4 2511 B9R0.18 C=CCCC(=O)NCCF 1626a_100000724931_100000749702 [0,2,0,0,0,0|2,0,0]=4 2512 B9R0.18 C=CCCC(=O)NCCF 240690a_100000724931_100000749702 [0,2,0,0,0,0|2,0,0]=4 2513 B9R0.18 C=CCCC(=O)NCCF 527a_100000724931_100000749702 [0,2,0,0,0,0|2,0,0]=4 2514 B9R0.18 C=CCCC(=O)NCCO 240690a_100000210304_100000749702 [0,2,0,0,0,0|2,0,0]=4 2515 B9R0.18 C=CCCC(=O)NCCO 527a_100000210304_100000749702 [0,2,0,0,0,0|2,0,0]=4 2516 B9R0.18 C=CCCC(=O)NNCC 22a_100000756455_100000749702 [0,2,0,0,0,0|2,0,0]=4 2517 B9R0.18 C=CCNC(=O)CCSC 1626a_100020586998_100000174002 [0,2,0,0,0,0|1,0,1]=4 2518 B9R0.18 C=CCNC(=O)CCSC 240690a_100020586998_100000174002 [0,2,0,0,0,0|1,0,1]=4 2519 B9R0.18 C=CCNC(=O)CCSC 527a_100020586998_100000174002 [0,2,0,0,0,0|1,0,1]=4 2520 B9R0.18 C=CCNC(=O)CCSC 62a_100011222895_200000210301 [0,2,0,0,0,0|1,0,1]=4 2521 B9R0.18 C=CCNC(=O)CCSC 62a_200000210301_100011222895 [0,2,0,0,0,0|1,0,1]=4 2522 B9R0.18 C=CCNC(=O)CCS[13CH3] 62a_100011222895_200025704644 [0,2,0,0,0,0|1,0,1]=4 2523 B9R0.18 C=CCNC(=O)CCS[13CH3] 62a_200025704644_100011222895 [0,2,0,0,0,0|1,0,1]=4 2524 B9R0.18 C=CCNC(=O)COCC 1626a_100020586998_100000211967 [0,2,0,0,0,0|1,0,1]=4 2525 B9R0.18 C=CCNC(=O)COCC 240690a_100020586998_100000211967 [0,2,0,0,0,0|1,0,1]=4 2526 B9R0.18 C=CCNC(=O)COCC 527a_100020586998_100000211967 [0,2,0,0,0,0|1,0,1]=4 2527 B9R0.18 C=CCOC(=O)CNCC 2230a_100015525214_100000033060 [0,2,0,0,0,0|1,0,1]=4 2528 B9R0.18 C=CCOC(=O)COCC 34a_100121572206_100000033060 [0,2,0,0,0,0|1,0,1]=4 2529 B9R0.18 C=CCOC(=O)CSCC 62a_100000033060_100000210202 [0,2,0,0,0,0|1,0,1]=4 2530 B9R0.18 C=CCOC(=O)CSCC 62a_100000210202_100000033060 [0,2,0,0,0,0|1,0,1]=4 2531 B9R0.18 C=CCOC(=O)CSCF 62a_100000033060_100015361967 [0,2,0,0,0,0|1,0,1]=4 2532 B9R0.18 C=CCOC(=O)CSCF 62a_100015361967_100000033060 [0,2,0,0,0,0|1,0,1]=4 2533 B9R0.18 CC#CCC(=O)CCSC 1458a_100000174002_100000748600 [0,2,0,0,0,0|1,0,1]=4 2534 B9R0.18 CC#CCC(=O)COCC 1458a_100000211967_100000748600 [0,2,0,0,0,0|1,0,1]=4 2535 B9R0.18 CC=CCC(=O)CCSC 1458a_100000174002_100000070051 [0,2,0,0,0,0|1,0,1]=4 2536 B9R0.18 CC=CCC(=O)CCSC 1458a_100121576822_100000751147 [0,2,0,0,0,0|1,0,1]=4 2537 B9R0.18 CC=CCC(=O)COCC 1458a_100000211967_100000070051 [0,2,0,0,0,0|1,0,1]=4 2538 B9R0.18 CCC#CC(=O)CCC#N 1458a_100011827653_100011215226 [0,2,0,0,0,0|2,0,0]=4 2539 B9R0.18 CCC#CC(=O)CCCC 1458a_100011827653_100000210211 [0,2,0,0,0,0|2,0,0]=4 2540 B9R0.18 CCC#CC(=O)CCCF 1458a_100011827653_100011934791 [0,2,0,0,0,0|2,0,0]=4 2541 B9R0.18 CCC#CC(=O)CCCO 1458a_100011827653_100011215043 [0,2,0,0,0,0|1,1,0]=4 2542 B9R0.18 CCC#CC(=O)CCOC 1458a_100011827653_100000233755 [0,2,0,0,0,0|1,1,0]=4 2543 B9R0.18 CCC#CC(=O)CCSC 1458a_100011827653_100000751147 [0,2,0,0,0,0|1,0,0]=3 2544 B9R0.18 CCC=CC(=O)CCC#N 1458a_100000212282_100011215226 [0,2,0,0,0,0|2,0,0]=4 2545 B9R0.18 CCC=CC(=O)CCCC 1458a_100000212282_100000210211 [0,2,0,0,0,0|2,0,0]=4 2546 B9R0.18 CCC=CC(=O)CCCF 1458a_100000212282_100011934791 [0,2,0,0,0,0|2,0,0]=4 2547 B9R0.18 CCC=CC(=O)CCCO 1458a_100000212282_100011215043 [0,2,0,0,0,0|1,1,0]=4 2548 B9R0.18 CCC=CC(=O)CCOC 1458a_100000212282_100000233755 [0,2,0,0,0,0|1,1,0]=4 2549 B9R0.18 CCC=CC(=O)CCSC 1458a_100000212282_100000751147 [0,2,0,0,0,0|1,0,0]=3 2550 B9R0.18 CCC=CC(=O)NCCC 11a_100020643023_100000212282 [0,2,0,0,0,0|2,0,0]=4 2551 B9R0.18 CCC=CC(=O)NCCC 1626a_100020643023_100000212282 [0,2,0,0,0,0|2,0,0]=4 2552 B9R0.18 CCC=CC(=O)NCCC 240690a_100020643023_100000212282 [0,2,0,0,0,0|2,0,0]=4 2553 B9R0.18 CCC=CC(=O)NCCF 11a_100000724931_100000212282 [0,2,0,0,0,0|2,0,0]=4 2554 B9R0.18 CCC=CC(=O)NCCF 1626a_100000724931_100000212282 [0,2,0,0,0,0|2,0,0]=4 2555 B9R0.18 CCC=CC(=O)NCCF 240690a_100000724931_100000212282 [0,2,0,0,0,0|2,0,0]=4 2556 B9R0.18 CCC=CC(=O)NCCO 240690a_100000210304_100000212282 [0,2,0,0,0,0|1,1,0]=4 2557 B9R0.18 CCCCC(=O)CCC#N 1458a_100000210183_100011215226 [0,2,0,0,0,0|2,0,0]=4 2558 B9R0.18 CCCCC(=O)CCC#N 1458a_100011934036_100000210211 [0,2,0,0,0,0|2,0,0]=4 2559 B9R0.18 CCCCC(=O)CCCC 1458a_100000210183_100000210211 [0,2,0,0,0,0|2,0,0]=4 2560 B9R0.18 CCCCC(=O)CCCF 1458a_100000210183_100011934791 [0,2,0,0,0,0|2,0,0]=4 2561 B9R0.18 CCCCC(=O)CCCO 1458a_100000210183_100011215043 [0,2,0,0,0,0|1,1,0]=4 2562 B9R0.18 CCCCC(=O)CCOC 1458a_100000210183_100000233755 [0,2,0,0,0,0|1,1,0]=4 2563 B9R0.18 CCCCC(=O)CCOC 1458a_100000749529_100000210211 [0,2,0,0,0,0|1,1,0]=4 2564 B9R0.18 CCCCC(=O)CCSC 1458a_100000174002_100000210211 [0,2,0,0,0,0|1,0,0]=3 2565 B9R0.18 CCCCC(=O)CCSC 1458a_100000210183_100000751147 [0,2,0,0,0,0|1,0,0]=3 2566 B9R0.18 CCCCC(=O)COCC 1458a_100000211967_100000210211 [0,2,0,0,0,0|1,0,0]=3 2567 B9R0.18 CCCCC(=O)CSCC 1458a_100000230394_100000210211 [0,2,0,0,0,0|1,1,0]=4 2568 B9R0.18 CCCCC(=O)NCCC 11a_100020643023_100000210183 [0,2,0,0,0,0|2,0,0]=4 2569 B9R0.18 CCCCC(=O)NCCC 1626a_100020643023_100000210183 [0,2,0,0,0,0|2,0,0]=4 2570 B9R0.18 CCCCC(=O)NCCC 240690a_100020643023_100000210183 [0,2,0,0,0,0|2,0,0]=4 2571 B9R0.18 CCCCC(=O)NCCC 527a_100020643023_100000210183 [0,2,0,0,0,0|2,0,0]=4 2572 B9R0.18 CCCCC(=O)NCCF 11a_100000724931_100000210183 [0,2,0,0,0,0|2,0,0]=4 2573 B9R0.18 CCCCC(=O)NCCF 1626a_100000724931_100000210183 [0,2,0,0,0,0|2,0,0]=4 2574 B9R0.18 CCCCC(=O)NCCF 240690a_100000724931_100000210183 [0,2,0,0,0,0|2,0,0]=4 2575 B9R0.18 CCCCC(=O)NCCF 527a_100000724931_100000210183 [0,2,0,0,0,0|2,0,0]=4 2576 B9R0.18 CCCCC(=O)NCCO 240690a_100000210304_100000210183 [0,2,0,0,0,0|1,1,0]=4 2577 B9R0.18 CCCCC(=O)NCCO 527a_100000210304_100000210183 [0,2,0,0,0,0|1,1,0]=4 2578 B9R0.18 CCCCC(=O)NNCC 22a_100000756455_100000210183 [0,2,0,0,0,0|2,0,0]=4 2579 B9R0.18 CCCNC(=O)CCC#N 11a_100020643023_100011934036 [0,2,0,0,0,0|2,0,0]=4 2580 B9R0.18 CCCNC(=O)CCC#N 1626a_100020643023_100011934036 [0,2,0,0,0,0|2,0,0]=4 2581 B9R0.18 CCCNC(=O)CCC#N 240690a_100020643023_100011934036 [0,2,0,0,0,0|2,0,0]=4 2582 B9R0.18 CCCNC(=O)CCC#N 527a_100020643023_100011934036 [0,2,0,0,0,0|2,0,0]=4 2583 B9R0.18 CCCNC(=O)CCOC 11a_100020643023_100000749529 [0,2,0,0,0,0|1,1,0]=4 2584 B9R0.18 CCCNC(=O)CCOC 1626a_100020643023_100000749529 [0,2,0,0,0,0|1,1,0]=4 2585 B9R0.18 CCCNC(=O)CCOC 240690a_100020643023_100000749529 [0,2,0,0,0,0|1,1,0]=4 2586 B9R0.18 CCCNC(=O)CCOC 527a_100020643023_100000749529 [0,2,0,0,0,0|1,1,0]=4 2587 B9R0.18 CCCNC(=O)CCSC 11a_100020643023_100000174002 [0,2,0,0,0,0|1,0,0]=3 2588 B9R0.18 CCCNC(=O)CCSC 1626a_100020643023_100000174002 [0,2,0,0,0,0|1,0,0]=3 2589 B9R0.18 CCCNC(=O)CCSC 240690a_100020643023_100000174002 [0,2,0,0,0,0|1,0,0]=3 2590 B9R0.18 CCCNC(=O)CCSC 527a_100020643023_100000174002 [0,2,0,0,0,0|1,0,0]=3 2591 B9R0.18 CCCNC(=O)CNCC 2230a_100000174927_100000210202 [0,2,0,0,0,0|2,0,0]=4 2592 B9R0.18 CCCNC(=O)CNCC 2230a_100015525214_100000183358 [0,2,0,0,0,0|2,0,0]=4 2593 B9R0.18 CCCNC(=O)COCC 11a_100020643023_100000211967 [0,2,0,0,0,0|1,0,0]=3 2594 B9R0.18 CCCNC(=O)COCC 1626a_100020643023_100000211967 [0,2,0,0,0,0|1,0,0]=3 2595 B9R0.18 CCCNC(=O)COCC 240690a_100020643023_100000211967 [0,2,0,0,0,0|1,0,0]=3 2596 B9R0.18 CCCNC(=O)COCC 34a_100121572206_100000183358 [0,2,0,0,0,0|1,0,0]=3 2597 B9R0.18 CCCNC(=O)COCC 527a_100020643023_100000211967 [0,2,0,0,0,0|1,0,0]=3 2598 B9R0.18 CCCNC(=O)CSCC 11a_100020643023_100000230394 [0,2,0,0,0,0|1,1,0]=4 2599 B9R0.18 CCCNC(=O)CSCC 1626a_100020643023_100000230394 [0,2,0,0,0,0|1,1,0]=4 2600 B9R0.18 CCCNC(=O)CSCC 240690a_100020643023_100000230394 [0,2,0,0,0,0|1,1,0]=4 2601 B9R0.18 CCCNC(=O)CSCC 527a_100020643023_100000230394 [0,2,0,0,0,0|1,1,0]=4 2602 B9R0.18 CCCNC(=O)CSCC 62a_100000183358_100000210202 [0,2,0,0,0,0|1,1,0]=4 2603 B9R0.18 CCCNC(=O)CSCC 62a_100000210202_100000183358 [0,2,0,0,0,0|1,1,0]=4 2604 B9R0.18 CCCNC(=O)CSCF 62a_100000183358_100015361967 [0,2,0,0,0,0|2,0,0]=4 2605 B9R0.18 CCCNC(=O)CSCF 62a_100015361967_100000183358 [0,2,0,0,0,0|2,0,0]=4 2606 B9R0.18 CCCNC(=O)NCCC 2708a_100020643023_100020643023 [0,2,0,0,0,0|2,0,0]=4 2607 B9R0.18 CCCNC(=O)NCCC 273464a_100020643023_100020643023 [0,2,0,0,0,0|2,0,0]=4 2608 B9R0.18 CCCNC(=O)NCCC 512a_100020643023_100020643023 [0,2,0,0,0,0|2,0,0]=4 2609 B9R0.18 CCCNC(=O)NCCF 2708a_100020643023_100000724931 [0,2,0,0,0,0|2,0,0]=4 2610 B9R0.18 CCCNC(=O)NCCF 273464a_100000724931_100020643023 [0,2,0,0,0,0|2,0,0]=4 2611 B9R0.18 CCCNC(=O)NCCF 273464a_100020643023_100000724931 [0,2,0,0,0,0|2,0,0]=4 2612 B9R0.18 CCCNC(=O)NCCF 512a_100020643023_100000724931 [0,2,0,0,0,0|2,0,0]=4 2613 B9R0.18 CCCNC(=O)NCCO 2708a_100020643023_100000210304 [0,2,0,0,0,0|1,1,0]=4 2614 B9R0.18 CCCNC(=O)NCCO 273464a_100000210304_100020643023 [0,2,0,0,0,0|1,1,0]=4 2615 B9R0.18 CCCNC(=O)NCCO 273464a_100020643023_100000210304 [0,2,0,0,0,0|1,1,0]=4 2616 B9R0.18 CCCNC(=O)NCCO 512a_100020643023_100000210304 [0,2,0,0,0,0|1,1,0]=4 2617 B9R0.18 CCCNC(=O)NNCC 273464a_100020643023_100000756455 [0,2,0,0,0,0|2,0,0]=4 2618 B9R0.18 CCCNC(=O)NNCC 512a_100000756455_100020643023 [0,2,0,0,0,0|2,0,0]=4 2619 B9R0.18 CCCNC(=O)NNCC 512a_100020643023_100000756455 [0,2,0,0,0,0|2,0,0]=4 2620 B9R0.18 CCCOC(=O)CNCC 2230a_100015525214_200011215008 [0,2,0,0,0,0|1,0,0]=3 2621 B9R0.18 CCCOC(=O)COCC 34a_100121572206_200011215008 [0,2,0,0,0,0|1,0,0]=3 2622 B9R0.18 CCCOC(=O)CSCC 62a_100000210202_200011215008 [0,2,0,0,0,0|1,0,0]=3 2623 B9R0.18 CCCOC(=O)CSCC 62a_200011215008_100000210202 [0,2,0,0,0,0|1,0,0]=3 2624 B9R0.18 CCCOC(=O)CSCF 62a_100015361967_200011215008 [0,2,0,0,0,0|1,0,0]=3 2625 B9R0.18 CCCOC(=O)CSCF 62a_200011215008_100015361967 [0,2,0,0,0,0|1,0,0]=3 2626 B9R0.18 CCCOC(=O)OCNC 34a_100102657272_200000139673 [0,2,0,0,0,0|1,0,0]=3 2627 B9R0.18 CCCOC(=O)OCNC 7a_106832991635_200000139673 [0,2,0,0,0,0|1,0,0]=3 2628 B9R0.18 CCCOC(=O)OCOC 34a_100138415774_200000139673 [0,2,0,0,0,0|1,0,0]=3 2629 B9R0.18 CCCOC(=O)OCSC 62a_200000210301_200000139673 [0,2,0,0,0,0|1,0,0]=3 2630 B9R0.18 CCCOC(=O)OCS[13CH3] 62a_200025704644_200000139673 [0,2,0,0,0,0|1,0,0]=3 2631 B9R0.18 CCNCC(=O)NCCF 2230a_100000725713_100000210202 [0,2,0,0,0,0|2,0,0]=4 2632 B9R0.18 CCNN=C(C)CCSC 4a_100000756455_100011217047 [0,2,0,0,0,0|2,0,0]=4 2633 B9R0.18 CCNNC(=O)CCC#N 22a_100000756455_100011934036 [0,2,0,0,0,0|2,0,0]=4 2634 B9R0.18 CCNNC(=O)CCOC 22a_100000756455_100000749529 [0,2,0,0,0,0|1,1,0]=4 2635 B9R0.18 CCNNC(=O)CCSC 22a_100000756455_100000174002 [0,2,0,0,0,0|1,0,0]=3 2636 B9R0.18 CCNNC(=O)COCC 22a_100000756455_100000211967 [0,2,0,0,0,0|2,0,0]=4 2637 B9R0.18 CCNNC(=O)CSCC 22a_100000756455_100000230394 [0,2,0,0,0,0|2,0,0]=4 2638 B9R0.18 CCNNC(=O)NCCF 273464a_100000724931_100000756455 [0,2,0,0,0,0|2,0,0]=4 2639 B9R0.18 CCNNC(=O)NCCF 512a_100000756455_100000724931 [0,2,0,0,0,0|2,0,0]=4 2640 B9R0.18 CCNNC(=O)NCCO 273464a_100000210304_100000756455 [0,2,0,0,0,0|1,1,0]=4 2641 B9R0.18 CCNNC(=O)NCCO 512a_100000756455_100000210304 [0,2,0,0,0,0|1,1,0]=4 2642 B9R0.18 CCOCC(=O)CCC#N 1458a_100000211967_100011215226 [0,2,0,0,0,0|1,0,0]=3 2643 B9R0.18 CCOCC(=O)CCCF 1458a_100000211967_100011934791 [0,2,0,0,0,0|1,0,0]=3 2644 B9R0.18 CCOCC(=O)CCCO 1458a_100000211967_100011215043 [0,2,0,0,0,0|0,1,0]=3 2645 B9R0.18 CCOCC(=O)CCOC 1458a_100000211967_100000233755 [0,2,0,0,0,0|0,1,0]=3 2646 B9R0.18 CCOCC(=O)CCSC 1458a_100000211967_100000751147 [0,2,0,0,0,0|0,0,0]=2 2647 B9R0.18 CCOCC(=O)NCC#N 1626a_100000734998_100000211967 [0,2,0,0,0,0|1,0,1]=4 2648 B9R0.18 CCOCC(=O)NCC#N 527a_100000734998_100000211967 [0,2,0,0,0,0|1,0,1]=4 2649 B9R0.18 CCOCC(=O)NCCF 11a_100000724931_100000211967 [0,2,0,0,0,0|1,0,0]=3 2650 B9R0.18 CCOCC(=O)NCCF 1626a_100000724931_100000211967 [0,2,0,0,0,0|1,0,0]=3 2651 B9R0.18 CCOCC(=O)NCCF 240690a_100000724931_100000211967 [0,2,0,0,0,0|1,0,0]=3 2652 B9R0.18 CCOCC(=O)NCCF 527a_100000724931_100000211967 [0,2,0,0,0,0|1,0,0]=3 2653 B9R0.18 CCOCC(=O)NCCO 240690a_100000210304_100000211967 [0,2,0,0,0,0|0,1,0]=3 2654 B9R0.18 CCOCC(=O)NCCO 527a_100000210304_100000211967 [0,2,0,0,0,0|0,1,0]=3 2655 B9R0.18 CCOCN(C)CCSC 269982a_100000686725_100000739092 [0,2,0,0,0,0|2,0,0]=4 2656 B9R0.18 CCOC[C@@H](N)CCSC 34a_100011827619_100000210202 [0,2,0,0,0,0|1,0,1]=4 2657 B9R0.18 CCSCC(=O)CCC#N 1458a_100000230394_100011215226 [0,2,0,0,0,0|1,1,0]=4 2658 B9R0.18 CCSCC(=O)CCCF 1458a_100000230394_100011934791 [0,2,0,0,0,0|1,1,0]=4 2659 B9R0.18 CCSCC(=O)CCCO 1458a_100000230394_100011215043 [0,2,0,0,0,0|0,2,0]=4 2660 B9R0.18 CCSCC(=O)CCOC 1458a_100000230394_100000233755 [0,2,0,0,0,0|0,2,0]=4 2661 B9R0.18 CCSCC(=O)CCSC 1458a_100000230394_100000751147 [0,2,0,0,0,0|0,1,0]=3 2662 B9R0.18 CCSCC(=O)NCCF 11a_100000724931_100000230394 [0,2,0,0,0,0|1,1,0]=4 2663 B9R0.18 CCSCC(=O)NCCF 1626a_100000724931_100000230394 [0,2,0,0,0,0|1,1,0]=4 2664 B9R0.18 CCSCC(=O)NCCF 240690a_100000724931_100000230394 [0,2,0,0,0,0|1,1,0]=4 2665 B9R0.18 CCSCC(=O)NCCF 527a_100000724931_100000230394 [0,2,0,0,0,0|1,1,0]=4 2666 B9R0.18 CCSCC(=O)NCCO 240690a_100000210304_100000230394 [0,2,0,0,0,0|0,2,0]=4 2667 B9R0.18 CCSCC(=O)NCCO 527a_100000210304_100000230394 [0,2,0,0,0,0|0,2,0]=4 2668 B9R0.18 COC=CC(=O)CCSC 1458a_100016268678_100000751147 [0,2,0,0,0,0|1,0,1]=4 2669 B9R0.18 COCCC(=O)CCC#N 1458a_100000749529_100011215226 [0,2,0,0,0,0|2,0,0]=4 2670 B9R0.18 COCCC(=O)CCC#N 1458a_100011934036_100000233755 [0,2,0,0,0,0|2,0,0]=4 2671 B9R0.18 COCCC(=O)CCCF 1458a_100000749529_100011934791 [0,2,0,0,0,0|1,1,0]=4 2672 B9R0.18 COCCC(=O)CCCO 1458a_100000749529_100011215043 [0,2,0,0,0,0|1,1,0]=4 2673 B9R0.18 COCCC(=O)CCOC 1458a_100000749529_100000233755 [0,2,0,0,0,0|1,1,0]=4 2674 B9R0.18 COCCC(=O)CCSC 1458a_100000174002_100000233755 [0,2,0,0,0,0|1,0,0]=3 2675 B9R0.18 COCCC(=O)CCSC 1458a_100000749529_100000751147 [0,2,0,0,0,0|1,0,0]=3 2676 B9R0.18 COCCC(=O)NCCF 11a_100000724931_100000749529 [0,2,0,0,0,0|1,1,0]=4 2677 B9R0.18 COCCC(=O)NCCF 1626a_100000724931_100000749529 [0,2,0,0,0,0|1,1,0]=4 2678 B9R0.18 COCCC(=O)NCCF 240690a_100000724931_100000749529 [0,2,0,0,0,0|1,1,0]=4 2679 B9R0.18 COCCC(=O)NCCF 527a_100000724931_100000749529 [0,2,0,0,0,0|1,1,0]=4 2680 B9R0.18 COCCC(=O)NCCO 240690a_100000210304_100000749529 [0,2,0,0,0,0|1,1,0]=4 2681 B9R0.18 COCCC(=O)NCCO 527a_100000210304_100000749529 [0,2,0,0,0,0|1,1,0]=4 2682 B9R0.18 CSCCC(=O)C#CCO 1458a_100000049017_100000751147 [0,2,0,0,0,0|1,0,1]=4 2683 B9R0.18 CSCCC(=O)CCC#N 1458a_100000174002_100011215226 [0,2,0,0,0,0|1,0,1]=4 2684 B9R0.18 CSCCC(=O)CCC#N 1458a_100011934036_100000751147 [0,2,0,0,0,0|1,0,1]=4 2685 B9R0.18 CSCCC(=O)CCCF 1458a_100000174002_100011934791 [0,2,0,0,0,0|1,0,0]=3 2686 B9R0.18 CSCCC(=O)CCCO 1458a_100000174002_100011215043 [0,2,0,0,0,0|1,0,0]=3 2687 B9R0.18 CSCCC(=O)CCSC 1458a_100000174002_100000751147 [0,2,0,0,0,0|1,0,0]=3 2688 B9R0.18 CSCCC(=O)NCC#N 1626a_100000734998_100000174002 [0,2,0,0,0,0|1,0,1]=4 2689 B9R0.18 CSCCC(=O)NCC#N 527a_100000734998_100000174002 [0,2,0,0,0,0|1,0,1]=4 2690 B9R0.18 CSCCC(=O)NCCF 11a_100000724931_100000174002 [0,2,0,0,0,0|1,0,0]=3 2691 B9R0.18 CSCCC(=O)NCCF 1626a_100000724931_100000174002 [0,2,0,0,0,0|1,0,0]=3 2692 B9R0.18 CSCCC(=O)NCCF 240690a_100000724931_100000174002 [0,2,0,0,0,0|1,0,0]=3 2693 B9R0.18 CSCCC(=O)NCCF 527a_100000724931_100000174002 [0,2,0,0,0,0|1,0,0]=3 2694 B9R0.18 CSCCC(=O)NCCO 240690a_100000210304_100000174002 [0,2,0,0,0,0|1,0,0]=3 2695 B9R0.18 CSCCC(=O)NCCO 527a_100000210304_100000174002 [0,2,0,0,0,0|1,0,0]=3 2696 B9R0.18 N#CCCC(=O)CCCF 1458a_100011934036_100011934791 [0,2,0,0,0,0|2,0,0]=4 2697 B9R0.18 N#CCCC(=O)CCCO 1458a_100011934036_100011215043 [0,2,0,0,0,0|2,0,0]=4 2698 B9R0.18 N#CCCC(=O)NCCF 11a_100000724931_100011934036 [0,2,0,0,0,0|2,0,0]=4 2699 B9R0.18 N#CCCC(=O)NCCF 1626a_100000724931_100011934036 [0,2,0,0,0,0|2,0,0]=4 2700 B9R0.18 N#CCCC(=O)NCCF 240690a_100000724931_100011934036 [0,2,0,0,0,0|2,0,0]=4 2701 B9R0.18 N#CCCC(=O)NCCF 527a_100000724931_100011934036 [0,2,0,0,0,0|2,0,0]=4 2702 B9R0.18 N#CCCC(=O)NCCO 240690a_100000210304_100011934036 [0,2,0,0,0,0|2,0,0]=4 2703 B9R0.18 N#CCCC(=O)NCCO 527a_100000210304_100011934036 [0,2,0,0,0,0|2,0,0]=4 2704 B9R0.18 O=C(NCCF)NCCF 273464a_100000724931_100000724931 [0,2,0,0,0,0|2,0,0]=4 2705 B9R0.18 O=C(NCCO)NCCF 273464a_100000210304_100000724931 [0,2,0,0,0,0|1,1,0]=4 2706 B9R0.18 O=C(NCCO)NCCF 273464a_100000724931_100000210304 [0,2,0,0,0,0|1,1,0]=4 2707 B9R0.18 O=C(NCCO)NCCO 273464a_100000210304_100000210304 [0,2,0,0,0,0|1,1,0]=4 2708 B9R0.34 C#CC(=O)CC(=O)OCC 1458a_100000211873_100000188475 [0,2,0,0,0,0|0,1,1]=4 2709 B9R0.34 C#CC(C)NC(=O)CCC 11a_100000707721_100000211992 [0,2,0,0,0,0|2,0,0]=4 2710 B9R0.34 C#CC(C)NC(=O)CCC 1626a_100000707721_100000211992 [0,2,0,0,0,0|2,0,0]=4 2711 B9R0.34 C#CC(C)NC(=O)CCC 240690a_100000707721_100000211992 [0,2,0,0,0,0|2,0,0]=4 2712 B9R0.34 C#CC(C)NC(=O)CCC 527a_100000707721_100000211992 [0,2,0,0,0,0|2,0,0]=4 2713 B9R0.34 C#CC(C)NC(=O)CCO 240690a_100000707721_100011216618 [0,2,0,0,0,0|1,1,0]=4 2714 B9R0.34 C=CC(=O)CC(=O)OCC 1458a_100000185746_100000188475 [0,2,0,0,0,0|0,1,1]=4 2715 B9R0.34 C=CC(C)CC(=O)CCC 1458a_100011934298_100000210303 [0,2,0,0,0,0|2,0,0]=4 2716 B9R0.34 C=CC(C)CC(=O)CCF 1458a_100011934298_100011217306 [0,2,0,0,0,0|2,0,0]=4 2717 B9R0.34 C=CC(C)CC(=O)CCO 1458a_100011934298_100000211926 [0,2,0,0,0,0|1,1,0]=4 2718 B9R0.34 C=CC(C)CC(=O)NCC 11a_100015525214_100011934298 [0,2,0,0,0,0|2,0,0]=4 2719 B9R0.34 C=CC(C)CC(=O)NCC 240690a_100015525214_100011934298 [0,2,0,0,0,0|2,0,0]=4 2720 B9R0.34 C=CC(C)CC(=O)NCC 527a_100015525214_100011934298 [0,2,0,0,0,0|2,0,0]=4 2721 B9R0.34 CCC(=CC(=O)CCF)C 1458a_100020758463_100011217306 [0,2,0,0,0,0|2,0,0]=4 2722 B9R0.34 CCC(=CC(=O)CCO)C 1458a_100020758463_100000211926 [0,2,0,0,0,0|1,1,0]=4 2723 B9R0.34 CCC(=O)CC(=O)CCO 1458a_100011216618_100000747405 [0,2,0,0,0,0|1,1,0]=4 2724 B9R0.34 CCC(C)CC(=O)CCF 1458a_100000708755_100011217306 [0,2,0,0,0,0|2,0,0]=4 2725 B9R0.34 CCC(C)CC(=O)CCO 1458a_100000708755_100000211926 [0,2,0,0,0,0|1,1,0]=4 2726 B9R0.34 CCC(C)CC(=O)CCO 1458a_100011216618_100000748023 [0,2,0,0,0,0|1,1,0]=4 2727 B9R0.34 CCC(C)NC(=O)CCO 240690a_100000209981_100011216618 [0,2,0,0,0,0|1,1,0]=4 2728 B9R0.34 CCC(O)CC(=O)CCF 1458a_100011667805_100011217306 [0,2,0,0,0,0|2,0,0]=4 2729 B9R0.34 CCC(O)CC(=O)CCO 1458a_100011216618_100011218378 [0,2,0,0,0,0|1,1,0]=4 2730 B9R0.34 CCC(O)CC(=O)CCO 1458a_100011667805_100000211926 [0,2,0,0,0,0|1,1,0]=4 2731 B9R0.34 CCCC(=O)C=C(C)CC 1458a_100020758463_100000210303 [0,2,0,0,0,0|2,0,0]=4 2732 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000210414_100000747444 [0,2,0,0,0,0|2,0,0]=4 2733 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000211992_100000747405 [0,2,0,0,0,0|2,0,0]=4 2734 B9R0.34 CCCC(=O)CC(=O)CO 1458a_100000210174_100000747444 [0,2,0,0,0,0|1,1,0]=4 2735 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000211992_100000748023 [0,2,0,0,0,0|2,0,0]=4 2736 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000708755_100000210303 [0,2,0,0,0,0|2,0,0]=4 2737 B9R0.34 CCCC(=O)CC(O)CC 1458a_100000211992_100011218378 [0,2,0,0,0,0|1,1,0]=4 2738 B9R0.34 CCCC(=O)CC(O)CC 1458a_100011667805_100000210303 [0,2,0,0,0,0|1,1,0]=4 2739 B9R0.34 CCCC(=O)CN(C)CC 1458a_100116209913_100000210303 [0,2,0,0,0,0|2,0,0]=4 2740 B9R0.34 CCCC(=O)CN(C)CC 2230a_100000225621_100000747444 [0,2,0,0,0,0|2,0,0]=4 2741 B9R0.34 CCCC(=O)CN(C)CC 269982a_100000225621_100000747444 [0,2,0,0,0,0|2,0,0]=4 2742 B9R0.34 CCCC(=O)C[C@@H](C)CC 1458a_100000211992_100009816398 [0,2,0,0,0,0|2,0,0]=4 2743 B9R0.34 CCCC(=O)C[C@@H](C)CO 1458a_100000211992_100000059175 [0,2,0,0,0,0|1,1,0]=4 2744 B9R0.34 CCCC(=O)NC(C)C#N 11a_100000737613_100000211992 [0,2,0,0,0,0|2,0,0]=4 2745 B9R0.34 CCCC(=O)NC(C)C#N 1626a_100000737613_100000211992 [0,2,0,0,0,0|2,0,0]=4 2746 B9R0.34 CCCC(=O)NC(C)C#N 527a_100000737613_100000211992 [0,2,0,0,0,0|2,0,0]=4 2747 B9R0.34 CCCC(=O)NC(C)CC 11a_100000209981_100000211992 [0,2,0,0,0,0|2,0,0]=4 2748 B9R0.34 CCCC(=O)NC(C)CC 1626a_100000209981_100000211992 [0,2,0,0,0,0|2,0,0]=4 2749 B9R0.34 CCCC(=O)NC(C)CC 240690a_100000209981_100000211992 [0,2,0,0,0,0|2,0,0]=4 2750 B9R0.34 CCCC(=O)NC(C)CC 527a_100000209981_100000211992 [0,2,0,0,0,0|2,0,0]=4 2751 B9R0.34 CCCC(=O)N[C@H](C)CF 11a_100102880703_100000211992 [0,2,0,0,0,0|2,0,0]=4 2752 B9R0.34 CCCC(=O)N[C@H](C)CF 1626a_100102880703_100000211992 [0,2,0,0,0,0|2,0,0]=4 2753 B9R0.34 CCCC(=O)N[C@H](C)CF 240690a_100102880703_100000211992 [0,2,0,0,0,0|2,0,0]=4 2754 B9R0.34 CCCC(=O)N[C@H](C)CF 527a_100102880703_100000211992 [0,2,0,0,0,0|2,0,0]=4 2755 B9R0.34 CCCC(=O)N[C@H](C)CO 240690a_100000737577_100000211992 [0,2,0,0,0,0|1,1,0]=4 2756 B9R0.34 CCCC(=O)N[C@H](C)CO 527a_100000737577_100000211992 [0,2,0,0,0,0|1,1,0]=4 2757 B9R0.34 CCN(C)CC(=O)CCF 1458a_100116209913_100011217306 [0,2,0,0,0,0|2,0,0]=4 2758 B9R0.34 CCN(C)CC(=O)CCO 1458a_100116209913_100000211926 [0,2,0,0,0,0|1,1,0]=4 2759 B9R0.34 CCNC(=O)CC(=O)CC 1458a_100000210414_100000183381 [0,2,0,0,0,0|2,0,0]=4 2760 B9R0.34 CCNC(=O)CC(=O)CO 1458a_100000210174_100000183381 [0,2,0,0,0,0|1,1,0]=4 2761 B9R0.34 CCNC(=O)CC(C)CC 11a_100015525214_100000708755 [0,2,0,0,0,0|2,0,0]=4 2762 B9R0.34 CCNC(=O)CC(C)CC 240690a_100015525214_100000708755 [0,2,0,0,0,0|2,0,0]=4 2763 B9R0.34 CCNC(=O)CC(C)CC 527a_100015525214_100000708755 [0,2,0,0,0,0|2,0,0]=4 2764 B9R0.34 CCNC(=O)CC(O)CC 240690a_100015525214_100011667805 [0,2,0,0,0,0|1,1,0]=4 2765 B9R0.34 CCNC(=O)CN(C)CC 2230a_100000225621_100000183381 [0,2,0,0,0,0|2,0,0]=4 2766 B9R0.34 CCNC(=O)CN(C)CC 2230a_100000741943_100000210202 [0,2,0,0,0,0|2,0,0]=4 2767 B9R0.34 CCNC(=O)CN(C)CC 240690a_100015525214_100116209913 [0,2,0,0,0,0|2,0,0]=4 2768 B9R0.34 CCNC(=O)CN(C)CC 269982a_100000225621_100000183381 [0,2,0,0,0,0|2,0,0]=4 2769 B9R0.34 CCNC(=O)CN(C)CC 269982a_100000741943_100000204670 [0,2,0,0,0,0|2,0,0]=4 2770 B9R0.34 CCNC(=O)CN(C)CC 527a_100015525214_100116209913 [0,2,0,0,0,0|2,0,0]=4 2771 B9R0.34 CCNC(=O)CN(C)CF 269982a_100000741943_100015361967 [0,2,0,0,0,0|2,0,0]=4 2772 B9R0.34 CCNC(=O)NC(C)CC 2708a_100000209981_100015525214 [0,2,0,0,0,0|2,0,0]=4 2773 B9R0.34 CCNC(=O)NC(C)CC 2708a_100015525214_100000209981 [0,2,0,0,0,0|2,0,0]=4 2774 B9R0.34 CCNC(=O)NC(C)CC 273464a_100000209981_100015525214 [0,2,0,0,0,0|2,0,0]=4 2775 B9R0.34 CCNC(=O)NC(C)CC 273464a_100015525214_100000209981 [0,2,0,0,0,0|2,0,0]=4 2776 B9R0.34 CCNC(=O)NC(C)CC 512a_100000209981_100015525214 [0,2,0,0,0,0|2,0,0]=4 2777 B9R0.34 CCNC(=O)NC(C)CC 512a_100015525214_100000209981 [0,2,0,0,0,0|2,0,0]=4 2778 B9R0.34 CCNC(=O)N[C@H](C)CF 2708a_100015525214_100102880703 [0,2,0,0,0,0|2,0,0]=4 2779 B9R0.34 CCNC(=O)N[C@H](C)CF 273464a_100015525214_100102880703 [0,2,0,0,0,0|2,0,0]=4 2780 B9R0.34 CCNC(=O)N[C@H](C)CF 273464a_100102880703_100015525214 [0,2,0,0,0,0|2,0,0]=4 2781 B9R0.34 CCNC(=O)N[C@H](C)CF 512a_100015525214_100102880703 [0,2,0,0,0,0|2,0,0]=4 2782 B9R0.34 CCNC(=O)N[C@H](C)CF 512a_100102880703_100015525214 [0,2,0,0,0,0|2,0,0]=4 2783 B9R0.34 CCNC(=O)N[C@H](C)CO 2708a_100015525214_100000737577 [0,2,0,0,0,0|1,1,0]=4 2784 B9R0.34 CCNC(=O)N[C@H](C)CO 273464a_100000737577_100015525214 [0,2,0,0,0,0|1,1,0]=4 2785 B9R0.34 CCNC(=O)N[C@H](C)CO 512a_100000737577_100015525214 [0,2,0,0,0,0|1,1,0]=4 2786 B9R0.34 CCNC(=O)N[C@H](C)CO 512a_100015525214_100000737577 [0,2,0,0,0,0|1,1,0]=4 2787 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000210414_100000188475 [0,2,0,0,0,0|1,0,0]=3 2788 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000243816_100000210202 [0,2,0,0,0,0|1,0,0]=3 2789 B9R0.34 CCOC(=O)CC(=O)CF 1458a_100000243816_100015361967 [0,2,0,0,0,0|1,0,0]=3 2790 B9R0.34 CCOC(=O)CC(=O)CO 1458a_100000210174_100000188475 [0,2,0,0,0,0|0,1,0]=3 2791 B9R0.34 CCOC(=O)CC(=O)NC 240690a_100102657272_100000243816 [0,2,0,0,0,0|0,1,1]=4 2792 B9R0.34 CCOC(=O)CC(C)NC 2230a_106832991635_100009817359 [0,2,0,0,0,0|1,0,0]=3 2793 B9R0.34 CCOC(=O)CC(C)NC 7a_106832991635_100009817359 [0,2,0,0,0,0|1,0,0]=3 2794 B9R0.34 CCOC(=O)CC(C)SC 62a_100009817359_200000210301 [0,2,0,0,0,0|0,0,0]=2 2795 B9R0.34 CCOC(=O)CC(C)SC 62a_200000210301_100009817359 [0,2,0,0,0,0|0,0,0]=2 2796 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_100009817359_200025704644 [0,2,0,0,0,0|0,0,0]=2 2797 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_200025704644_100009817359 [0,2,0,0,0,0|0,0,0]=2 2798 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220588_100000210202 [0,2,0,0,0,0|1,0,0]=3 2799 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220607_200000210301 [0,2,0,0,0,0|1,0,0]=3 2800 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000225621_100000188475 [0,2,0,0,0,0|1,0,0]=3 2801 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000220607_200000210301 [0,2,0,0,0,0|1,0,0]=3 2802 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000225621_100000188475 [0,2,0,0,0,0|1,0,0]=3 2803 B9R0.34 CCOC(=O)CN([13CH3])CC 2230a_100000220607_200025704644 [0,2,0,0,0,0|1,0,0]=3 2804 B9R0.34 CCOC(=O)CN([13CH3])CC 269982a_100000220607_200025704644 [0,2,0,0,0,0|1,0,0]=3 2805 B9R0.34 CCOC(=O)C[C@@H](C)OC 7a_100009816390_200000210301 [0,2,0,0,0,0|0,1,0]=3 2806 B9R0.34 CCOC(=O)C[C@@H](C)O[13CH3] 7a_100009816390_200025704644 [0,2,0,0,0,0|0,1,0]=3 2807 B9R0.34 CCOC(=O)OC(C)SC 62a_100000036008_200000210301 [0,2,0,0,0,0|1,0,0]=3 2808 B9R0.34 CCOC(=O)OC(C)SC 62a_200000210301_100000036008 [0,2,0,0,0,0|1,0,0]=3 2809 B9R0.34 CCOC(=O)OC(C)S[13CH3] 62a_100000036008_200025704644 [0,2,0,0,0,0|1,0,0]=3 2810 B9R0.34 CCOC(=O)OC(C)S[13CH3] 62a_200025704644_100000036008 [0,2,0,0,0,0|1,0,0]=3 2811 B9R0.34 CC[C@H](C)CC(=O)CCO 1458a_100011216618_100009816398 [0,2,0,0,0,0|1,1,0]=4 2812 B9R0.34 C[C@@H](CO)CC(=O)CCO 1458a_100011216618_100000059175 [0,2,0,0,0,0|1,1,0]=4 2813 B9R0.34 C[C@H](CF)NC(=O)CCO 240690a_100102880703_100011216618 [0,2,0,0,0,0|1,1,0]=4 2814 B9R0.34 C[C@H](CO)NC(=O)CCO 240690a_100000737577_100011216618 [0,2,0,0,0,0|1,1,0]=4 2815 B9R0.35 C#CCC(=O)C(C)OCC 1458a_100000739345_100000184674 [0,2,0,0,0,0|1,0,1]=4 2816 B9R0.35 C=C(CNC)C(=O)OCC 34a_100102657272_100000755967 [0,2,0,0,0,0|1,0,1]=4 2817 B9R0.35 C=C(CNC)C(=O)OCC 7a_106832991635_100000755967 [0,2,0,0,0,0|1,0,1]=4 2818 B9R0.35 C=C(COC)C(=O)OCC 34a_100138415774_100000755967 [0,2,0,0,0,0|0,1,1]=4 2819 B9R0.35 C=C(CSC)C(=O)OCC 62a_100000755967_200000210301 [0,2,0,0,0,0|0,0,1]=3 2820 B9R0.35 C=C(CSC)C(=O)OCC 62a_200000210301_100000755967 [0,2,0,0,0,0|0,0,1]=3 2821 B9R0.35 C=C(CS[13CH3])C(=O)OCC 62a_100000755967_200025704644 [0,2,0,0,0,0|0,0,1]=3 2822 B9R0.35 C=C(CS[13CH3])C(=O)OCC 62a_200025704644_100000755967 [0,2,0,0,0,0|0,0,1]=3 2823 B9R0.35 C=CCC(=O)C(C)OCC 1458a_100000739345_100000210623 [0,2,0,0,0,0|1,0,1]=4 2824 B9R0.35 C=CCC(C)C(=O)CCC 1458a_100011216819_100000210303 [0,2,0,0,0,0|2,0,0]=4 2825 B9R0.35 C=CCC(C)C(=O)NCC 11a_100015525214_100011216819 [0,2,0,0,0,0|2,0,0]=4 2826 B9R0.35 C=CCC(C)C(=O)NCC 240690a_100015525214_100011216819 [0,2,0,0,0,0|2,0,0]=4 2827 B9R0.35 C=CCC(C)C(=O)NCC 527a_100015525214_100011216819 [0,2,0,0,0,0|2,0,0]=4 2828 B9R0.35 CC(CCO)C(=O)CCO 1458a_100011216618_100009893172 [0,2,0,0,0,0|1,1,0]=4 2829 B9R0.35 CC/C=C(\C)/C(=O)CCC 1458a_100016988807_100000210303 [0,2,0,0,0,0|2,0,0]=4 2830 B9R0.35 CC/C=C(\C)/C(=O)CCF 1458a_100016988807_100011217306 [0,2,0,0,0,0|2,0,0]=4 2831 B9R0.35 CC/C=C(\C)/C(=O)CCO 1458a_100016988807_100000211926 [0,2,0,0,0,0|1,1,0]=4 2832 B9R0.35 CCCC(=O)C(=O)NCC 1458a_200011297158_100000210303 [0,2,0,0,0,0|2,0,0]=4 2833 B9R0.35 CCCC(=O)C(C)CC#N 1458a_100000211992_100009813641 [0,2,0,0,0,0|2,0,0]=4 2834 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000210906_100000210303 [0,2,0,0,0,0|2,0,0]=4 2835 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000211992_100000766640 [0,2,0,0,0,0|2,0,0]=4 2836 B9R0.35 CCCC(=O)C(C)CCO 1458a_100000211992_100009893172 [0,2,0,0,0,0|1,1,0]=4 2837 B9R0.35 CCCC(=O)C(C)COC 1458a_100000211992_100000765312 [0,2,0,0,0,0|1,1,0]=4 2838 B9R0.35 CCCC(=O)C(C)COC 1458a_100000751857_100000210303 [0,2,0,0,0,0|1,1,0]=4 2839 B9R0.35 CCCC(=O)C(C)CSC 1458a_100000753918_100000210303 [0,2,0,0,0,0|1,0,0]=3 2840 B9R0.35 CCCC(=O)C(C)OCC 1458a_100000739345_100000210303 [0,2,0,0,0,0|1,0,0]=3 2841 B9R0.35 CCCC(=O)C(C)SCC 1458a_100000230601_100000210303 [0,2,0,0,0,0|1,1,0]=4 2842 B9R0.35 CCCC(=O)N(C)CCC 11a_100000747261_100000211992 [0,2,0,0,0,0|2,0,0]=4 2843 B9R0.35 CCCC(=O)N(C)CCC 1626a_100000747261_100000211992 [0,2,0,0,0,0|2,0,0]=4 2844 B9R0.35 CCCC(=O)N(C)CCC 240690a_100000747261_100000211992 [0,2,0,0,0,0|2,0,0]=4 2845 B9R0.35 CCCC(=O)N(C)CCC 527a_100000747261_100000211992 [0,2,0,0,0,0|2,0,0]=4 2846 B9R0.35 CCCC(=O)N(C)CCO 240690a_100000210263_100000211992 [0,2,0,0,0,0|1,1,0]=4 2847 B9R0.35 CCCC(=O)N(C)CCO 527a_100000210263_100000211992 [0,2,0,0,0,0|1,1,0]=4 2848 B9R0.35 CCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210303 [0,2,0,0,0,0|2,0,0]=4 2849 B9R0.35 CCCC(C)C(=O)CCF 1458a_100000210906_100011217306 [0,2,0,0,0,0|2,0,0]=4 2850 B9R0.35 CCCC(C)C(=O)CCO 1458a_100000210906_100000211926 [0,2,0,0,0,0|1,1,0]=4 2851 B9R0.35 CCCC(C)C(=O)CCO 1458a_100011216618_100000766640 [0,2,0,0,0,0|1,1,0]=4 2852 B9R0.35 CCCC(C)C(=O)NCC 11a_100015525214_100000210906 [0,2,0,0,0,0|2,0,0]=4 2853 B9R0.35 CCCC(C)C(=O)NCC 240690a_100015525214_100000210906 [0,2,0,0,0,0|2,0,0]=4 2854 B9R0.35 CCCC(C)C(=O)NCC 527a_100015525214_100000210906 [0,2,0,0,0,0|2,0,0]=4 2855 B9R0.35 CCCN(C)C(=O)CCO 240690a_100000747261_100011216618 [0,2,0,0,0,0|1,1,0]=4 2856 B9R0.35 CCCN(C)C(=O)NCC 2708a_100015525214_100000747261 [0,2,0,0,0,0|2,0,0]=4 2857 B9R0.35 CCCN(C)C(=O)NCC 273464a_100015525214_100000747261 [0,2,0,0,0,0|2,0,0]=4 2858 B9R0.35 CCC[C@H](O)C(=O)CCF 1458a_100009822183_100011217306 [0,2,0,0,0,0|2,0,0]=4 2859 B9R0.35 CCC[C@H](O)C(=O)CCO 1458a_100009822183_100000211926 [0,2,0,0,0,0|1,1,0]=4 2860 B9R0.35 CCC[C@H](O)C(=O)NCC 240690a_100015525214_100009822183 [0,2,0,0,0,0|2,0,0]=4 2861 B9R0.35 CCNC(=O)C(=O)CCF 1458a_200011297158_100011217306 [0,2,0,0,0,0|2,0,0]=4 2862 B9R0.35 CCNC(=O)C(=O)CCO 1458a_200011297158_100000211926 [0,2,0,0,0,0|1,1,0]=4 2863 B9R0.35 CCNC(=O)C(=O)OCC 11a_100015525214_100014798877 [0,2,0,0,0,0|1,0,1]=4 2864 B9R0.35 CCNC(=O)C(=O)OCC 240690a_100015525214_100014798877 [0,2,0,0,0,0|1,0,1]=4 2865 B9R0.35 CCNC(=O)C(C)COC 11a_100015525214_100000751857 [0,2,0,0,0,0|1,1,0]=4 2866 B9R0.35 CCNC(=O)C(C)COC 240690a_100015525214_100000751857 [0,2,0,0,0,0|1,1,0]=4 2867 B9R0.35 CCNC(=O)C(C)COC 527a_100015525214_100000751857 [0,2,0,0,0,0|1,1,0]=4 2868 B9R0.35 CCNC(=O)C(C)CSC 11a_100015525214_100000753918 [0,2,0,0,0,0|1,0,0]=3 2869 B9R0.35 CCNC(=O)C(C)CSC 240690a_100015525214_100000753918 [0,2,0,0,0,0|1,0,0]=3 2870 B9R0.35 CCNC(=O)C(C)CSC 527a_100015525214_100000753918 [0,2,0,0,0,0|1,0,0]=3 2871 B9R0.35 CCNC(=O)C(C)NCC 2230a_100000736553_100000210202 [0,2,0,0,0,0|2,0,0]=4 2872 B9R0.35 CCNC(=O)C(C)NCC 2230a_100015525214_100000230173 [0,2,0,0,0,0|2,0,0]=4 2873 B9R0.35 CCNC(=O)C(C)NCC 34a_100000736553_100000210202 [0,2,0,0,0,0|2,0,0]=4 2874 B9R0.35 CCNC(=O)C(C)NCF 34a_100000736553_100015361967 [0,2,0,0,0,0|2,0,0]=4 2875 B9R0.35 CCNC(=O)C(C)OCC 11a_100015525214_100000739345 [0,2,0,0,0,0|2,0,0]=4 2876 B9R0.35 CCNC(=O)C(C)OCC 240690a_100015525214_100000739345 [0,2,0,0,0,0|2,0,0]=4 2877 B9R0.35 CCNC(=O)C(C)OCC 34a_100121572206_100000230173 [0,2,0,0,0,0|2,0,0]=4 2878 B9R0.35 CCNC(=O)C(C)OCC 527a_100015525214_100000739345 [0,2,0,0,0,0|2,0,0]=4 2879 B9R0.35 CCNC(=O)C(C)SCC 11a_100015525214_100000230601 [0,2,0,0,0,0|2,0,0]=4 2880 B9R0.35 CCNC(=O)C(C)SCC 240690a_100015525214_100000230601 [0,2,0,0,0,0|2,0,0]=4 2881 B9R0.35 CCNC(=O)C(C)SCC 527a_100015525214_100000230601 [0,2,0,0,0,0|2,0,0]=4 2882 B9R0.35 CCNC(=O)C(C)SCC 62a_100000210202_100000230173 [0,2,0,0,0,0|2,0,0]=4 2883 B9R0.35 CCNC(=O)C(C)SCC 62a_100000230173_100000210202 [0,2,0,0,0,0|2,0,0]=4 2884 B9R0.35 CCNC(=O)C(C)SCF 62a_100000230173_100015361967 [0,2,0,0,0,0|2,0,0]=4 2885 B9R0.35 CCNC(=O)C(C)SCF 62a_100015361967_100000230173 [0,2,0,0,0,0|2,0,0]=4 2886 B9R0.35 CCNC(=O)N(C)CCO 2708a_100015525214_100000210263 [0,2,0,0,0,0|1,1,0]=4 2887 B9R0.35 CCNC(=O)N(C)CCO 273464a_100015525214_100000210263 [0,2,0,0,0,0|1,1,0]=4 2888 B9R0.35 CCNC(C)C(=O)OCC 2230a_100015525214_100011215307 [0,2,0,0,0,0|1,0,0]=3 2889 B9R0.35 CCNC(F)C(=O)OCC 2230a_100015525214_100000760018 [0,2,0,0,0,0|1,0,0]=3 2890 B9R0.35 CCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210202 [0,2,0,0,0,0|1,1,0]=4 2891 B9R0.35 CCOC(=O)C(=O)CSC 62a_100000211299_200000210301 [0,2,0,0,0,0|0,0,1]=3 2892 B9R0.35 CCOC(=O)C(=O)CSC 62a_200000210301_100000211299 [0,2,0,0,0,0|0,0,1]=3 2893 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_100000211299_200025704644 [0,2,0,0,0,0|0,0,1]=3 2894 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_200025704644_100000211299 [0,2,0,0,0,0|0,0,1]=3 2895 B9R0.35 CCOC(=O)C(C)OCC 34a_100121572206_100011216346 [0,2,0,0,0,0|1,0,0]=3 2896 B9R0.35 CCOC(=O)C(C)SCC 62a_100000210202_100011216346 [0,2,0,0,0,0|1,0,0]=3 2897 B9R0.35 CCOC(=O)C(C)SCC 62a_100011216346_100000210202 [0,2,0,0,0,0|1,0,0]=3 2898 B9R0.35 CCOC(=O)C(C)SCF 62a_100011216346_100015361967 [0,2,0,0,0,0|1,0,0]=3 2899 B9R0.35 CCOC(=O)C(C)SCF 62a_100015361967_100011216346 [0,2,0,0,0,0|1,0,0]=3 2900 B9R0.35 CCOC(=O)C(F)OCC 34a_100121572206_100000760018 [0,2,0,0,0,0|1,0,0]=3 2901 B9R0.35 CCOC(=O)C(F)SCC 62a_100000210202_100000760018 [0,2,0,0,0,0|1,0,0]=3 2902 B9R0.35 CCOC(=O)C(F)SCC 62a_100000760018_100000210202 [0,2,0,0,0,0|1,0,0]=3 2903 B9R0.35 CCOC(=O)C(F)SCF 62a_100000760018_100015361967 [0,2,0,0,0,0|1,0,0]=3 2904 B9R0.35 CCOC(=O)C(F)SCF 62a_100015361967_100000760018 [0,2,0,0,0,0|1,0,0]=3 2905 B9R0.35 CCOC(=O)[C@H](C)OCC 7a_100000751109_100000210202 [0,2,0,0,0,0|1,0,0]=3 2906 B9R0.35 CCOC(=O)[C@H](C)OCF 7a_100000751109_100015361967 [0,2,0,0,0,0|1,0,0]=3 2907 B9R0.35 CCOC(C)C(=O)CC#N 1458a_100000739345_100011214920 [0,2,0,0,0,0|1,0,1]=4 2908 B9R0.35 CCOC(C)C(=O)CCF 1458a_100000739345_100011217306 [0,2,0,0,0,0|1,0,0]=3 2909 B9R0.35 CCOC(C)C(=O)CCO 1458a_100000739345_100000211926 [0,2,0,0,0,0|0,1,0]=3 2910 B9R0.35 CCSC(C)C(=O)CCF 1458a_100000230601_100011217306 [0,2,0,0,0,0|1,1,0]=4 2911 B9R0.35 CCSC(C)C(=O)CCO 1458a_100000230601_100000211926 [0,2,0,0,0,0|0,2,0]=4 2912 B9R0.35 CN(CCO)C(=O)CCO 240690a_100000210263_100011216618 [0,2,0,0,0,0|1,1,0]=4 2913 B9R0.35 CNNC(=O)C(C)CSC 22a_100016993582_100000753918 [0,2,0,0,0,0|2,0,0]=4 2914 B9R0.35 COCC(C)C(=O)CCF 1458a_100000751857_100011217306 [0,2,0,0,0,0|2,0,0]=4 2915 B9R0.35 COCC(C)C(=O)CCO 1458a_100000751857_100000211926 [0,2,0,0,0,0|1,1,0]=4 2916 B9R0.35 COCC(C)C(=O)CCO 1458a_100011216618_100000765312 [0,2,0,0,0,0|1,1,0]=4 2917 B9R0.35 CSCC(C)C(=O)CCF 1458a_100000753918_100011217306 [0,2,0,0,0,0|2,0,0]=4 2918 B9R0.35 CSCC(C)C(=O)CCO 1458a_100000753918_100000211926 [0,2,0,0,0,0|1,1,0]=4 2919 B9R0.48 C#CCC(=O)COC(C)C 1458a_100000745533_100000184674 [0,2,0,0,0,0|1,0,1]=4 2920 B9R0.48 C=C(C)CCC(=O)CCC 1458a_100000211992_100000730704 [0,2,0,0,0,0|2,0,0]=4 2921 B9R0.48 C=C(C)CCC(=O)CCC 1458a_200000688413_100000210303 [0,2,0,0,0,0|2,0,0]=4 2922 B9R0.48 C=C(C)CCC(=O)CCF 1458a_200000688413_100011217306 [0,2,0,0,0,0|2,0,0]=4 2923 B9R0.48 C=C(C)CCC(=O)CCO 1458a_100011216618_100000730704 [0,2,0,0,0,0|1,1,0]=4 2924 B9R0.48 C=C(C)CCC(=O)CCO 1458a_200000688413_100000211926 [0,2,0,0,0,0|1,1,0]=4 2925 B9R0.48 C=C(C)CCC(=O)NCC 11a_100015525214_200000688413 [0,2,0,0,0,0|2,0,0]=4 2926 B9R0.48 C=C(C)CCC(=O)NCC 240690a_100015525214_200000688413 [0,2,0,0,0,0|2,0,0]=4 2927 B9R0.48 C=C(C)CCC(=O)NCC 527a_100015525214_200000688413 [0,2,0,0,0,0|2,0,0]=4 2928 B9R0.48 C=C(C)CNC(=O)CCC 11a_100000765925_100000211992 [0,2,0,0,0,0|2,0,0]=4 2929 B9R0.48 C=C(C)CNC(=O)CCC 1626a_100000765925_100000211992 [0,2,0,0,0,0|2,0,0]=4 2930 B9R0.48 C=C(C)CNC(=O)CCC 240690a_100000765925_100000211992 [0,2,0,0,0,0|2,0,0]=4 2931 B9R0.48 C=C(C)CNC(=O)CCC 527a_100000765925_100000211992 [0,2,0,0,0,0|2,0,0]=4 2932 B9R0.48 C=C(C)CNC(=O)CCO 240690a_100000765925_100011216618 [0,2,0,0,0,0|1,1,0]=4 2933 B9R0.48 C=CCC(=O)COC(C)C 1458a_100000745533_100000210623 [0,2,0,0,0,0|1,0,1]=4 2934 B9R0.48 CC(=O)OCC(=O)CCF 1458a_100000183556_100011217306 [0,2,0,0,0,0|1,0,1]=4 2935 B9R0.48 CC(=O)OCC(=O)CCO 1458a_100000183556_100000211926 [0,2,0,0,0,0|0,1,1]=4 2936 B9R0.48 CC(C)C=CC(=O)CCF 1458a_100016268746_100011217306 [0,2,0,0,0,0|2,0,0]=4 2937 B9R0.48 CC(C)C=CC(=O)CCO 1458a_100016268746_100000211926 [0,2,0,0,0,0|1,1,0]=4 2938 B9R0.48 CC(C)CCC(=O)CCF 1458a_100000181311_100011217306 [0,2,0,0,0,0|2,0,0]=4 2939 B9R0.48 CC(C)CCC(=O)CCO 1458a_100000181311_100000211926 [0,2,0,0,0,0|1,1,0]=4 2940 B9R0.48 CC(C)CCC(=O)CCO 1458a_100011216618_100000210312 [0,2,0,0,0,0|1,1,0]=4 2941 B9R0.48 CC(C)CNC(=O)CCO 240690a_100000210953_100011216618 [0,2,0,0,0,0|1,1,0]=4 2942 B9R0.48 CC(C)NNC(=O)CCO 22a_100000741168_100011216618 [0,2,0,0,0,0|1,1,0]=4 2943 B9R0.48 CC(C)OCC(=O)CC#N 1458a_100000745533_100011214920 [0,2,0,0,0,0|1,0,1]=4 2944 B9R0.48 CC(C)OCC(=O)CCF 1458a_100000745533_100011217306 [0,2,0,0,0,0|1,0,0]=3 2945 B9R0.48 CC(C)OCC(=O)CCO 1458a_100000745533_100000211926 [0,2,0,0,0,0|0,1,0]=3 2946 B9R0.48 CC(C)OCC(=O)NCO 34a_100000212225_100000185155 [0,2,0,0,0,0|1,1,0]=4 2947 B9R0.48 CC(C)SCC(=O)CCF 1458a_100000241585_100011217306 [0,2,0,0,0,0|1,1,0]=4 2948 B9R0.48 CC(C)SCC(=O)CCO 1458a_100000241585_100000211926 [0,2,0,0,0,0|0,2,0]=4 2949 B9R0.48 CC(O)CCC(=O)CCO 1458a_100011216618_100012276601 [0,2,0,0,0,0|1,1,0]=4 2950 B9R0.48 CC(O)CNC(=O)CCO 240690a_100000210904_100011216618 [0,2,0,0,0,0|1,1,0]=4 2951 B9R0.48 CCCC(=O)C=CC(C)C 1458a_100016268746_100000210303 [0,2,0,0,0,0|2,0,0]=4 2952 B9R0.48 CCCC(=O)CCC(=O)N 1458a_100011215257_100000210303 [0,2,0,0,0,0|1,1,0]=4 2953 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000181311_100000210303 [0,2,0,0,0,0|2,0,0]=4 2954 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000211992_100000210312 [0,2,0,0,0,0|2,0,0]=4 2955 B9R0.48 CCCC(=O)CCC(C)O 1458a_100000211992_100012276601 [0,2,0,0,0,0|1,1,0]=4 2956 B9R0.48 CCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210303 [0,2,0,0,0,0|1,1,0]=4 2957 B9R0.48 CCCC(=O)CC[S+](C)C 1458a_100009452791_100000210303 [0,2,0,0,0,0|1,0,1]=4 2958 B9R0.48 CCCC(=O)CNC(C)C 2230a_100138425928_100000747444 [0,2,0,0,0,0|2,0,0]=4 2959 B9R0.48 CCCC(=O)COC(=O)C 1458a_100000183556_100000210303 [0,2,0,0,0,0|1,0,1]=4 2960 B9R0.48 CCCC(=O)COC(C)C 1458a_100000745533_100000210303 [0,2,0,0,0,0|1,0,0]=3 2961 B9R0.48 CCCC(=O)COC(F)F 1458a_200000719455_100000210303 [0,2,0,0,0,0|2,0,0]=4 2962 B9R0.48 CCCC(=O)CSC(C)C 1458a_100000241585_100000210303 [0,2,0,0,0,0|1,1,0]=4 2963 B9R0.48 CCCC(=O)CSC(C)C 62a_100000210206_100000747444 [0,2,0,0,0,0|1,1,0]=4 2964 B9R0.48 CCCC(=O)CSC(C)C 62a_100000747444_100000210206 [0,2,0,0,0,0|1,1,0]=4 2965 B9R0.48 CCCC(=O)CSC(F)F 1458a_114828291038_100000210303 [0,2,0,0,0,0|2,0,0]=4 2966 B9R0.48 CCCC(=O)NCC(C)C 11a_100000210953_100000211992 [0,2,0,0,0,0|2,0,0]=4 2967 B9R0.48 CCCC(=O)NCC(C)C 1626a_100000210953_100000211992 [0,2,0,0,0,0|2,0,0]=4 2968 B9R0.48 CCCC(=O)NCC(C)C 240690a_100000210953_100000211992 [0,2,0,0,0,0|2,0,0]=4 2969 B9R0.48 CCCC(=O)NCC(C)C 527a_100000210953_100000211992 [0,2,0,0,0,0|2,0,0]=4 2970 B9R0.48 CCCC(=O)NCC(C)O 11a_100000210904_100000211992 [0,2,0,0,0,0|1,1,0]=4 2971 B9R0.48 CCCC(=O)NCC(C)O 240690a_100000210904_100000211992 [0,2,0,0,0,0|1,1,0]=4 2972 B9R0.48 CCCC(=O)NCC(C)O 527a_100000210904_100000211992 [0,2,0,0,0,0|1,1,0]=4 2973 B9R0.48 CCCC(=O)NCC(F)F 11a_100000765723_100000211992 [0,2,0,0,0,0|2,0,0]=4 2974 B9R0.48 CCCC(=O)NCC(F)F 1626a_100000765723_100000211992 [0,2,0,0,0,0|2,0,0]=4 2975 B9R0.48 CCCC(=O)NCC(F)F 240690a_100000765723_100000211992 [0,2,0,0,0,0|2,0,0]=4 2976 B9R0.48 CCCC(=O)NCC(F)F 527a_100000765723_100000211992 [0,2,0,0,0,0|2,0,0]=4 2977 B9R0.48 CCCC(=O)NNC(C)C 22a_100000741168_100000211992 [0,2,0,0,0,0|2,0,0]=4 2978 B9R0.48 CCCC(=O)OCC(=O)C 1458a_100000070787_100000034017 [0,2,0,0,0,0|1,0,0]=3 2979 B9R0.48 CCCC(=O)OCN(C)C 2230a_100102631434_100000034017 [0,2,0,0,0,0|1,0,0]=3 2980 B9R0.48 CCCC(=O)OCN(C)C 269982a_100102631434_100000034017 [0,2,0,0,0,0|1,0,0]=3 2981 B9R0.48 CCNC(=O)CCC(=O)C 1458a_100000199579_200000210301 [0,2,0,0,0,0|1,1,0]=4 2982 B9R0.48 CCNC(=O)CCC(=O)N 240690a_100015525214_100011215257 [0,2,0,0,0,0|1,1,0]=4 2983 B9R0.48 CCNC(=O)CCC(=O)N 527a_100015525214_100011215257 [0,2,0,0,0,0|1,1,0]=4 2984 B9R0.48 CCNC(=O)CCC(=O)[13CH3] 1458a_100000199579_200025704644 [0,2,0,0,0,0|1,1,0]=4 2985 B9R0.48 CCNC(=O)CCC(C)C 11a_100015525214_100000181311 [0,2,0,0,0,0|2,0,0]=4 2986 B9R0.48 CCNC(=O)CCC(C)C 240690a_100015525214_100000181311 [0,2,0,0,0,0|2,0,0]=4 2987 B9R0.48 CCNC(=O)CCC(C)C 527a_100015525214_100000181311 [0,2,0,0,0,0|2,0,0]=4 2988 B9R0.48 CCNC(=O)CCN(C)C 11a_100015525214_100000689311 [0,2,0,0,0,0|2,0,0]=4 2989 B9R0.48 CCNC(=O)CCN(C)C 2230a_100102631434_100000737597 [0,2,0,0,0,0|2,0,0]=4 2990 B9R0.48 CCNC(=O)CCN(C)C 240690a_100015525214_100000689311 [0,2,0,0,0,0|2,0,0]=4 2991 B9R0.48 CCNC(=O)CCN(C)C 269982a_100102631434_100000737597 [0,2,0,0,0,0|2,0,0]=4 2992 B9R0.48 CCNC(=O)CCN(C)C 527a_100015525214_100000689311 [0,2,0,0,0,0|2,0,0]=4 2993 B9R0.48 CCNC(=O)CC[N+](=O)[O-] 11a_100015525214_200000064761 [0,2,0,0,0,0|1,1,0]=4 2994 B9R0.48 CCNC(=O)CC[N+](=O)[O-] 240690a_100015525214_200000064761 [0,2,0,0,0,0|1,1,0]=4 2995 B9R0.48 CCNC(=O)CC[S+](C)C 11a_100015525214_100009452791 [0,2,0,0,0,0|1,0,1]=4 2996 B9R0.48 CCNC(=O)CC[S+](C)C 240690a_100015525214_100009452791 [0,2,0,0,0,0|1,0,1]=4 2997 B9R0.48 CCNC(=O)CNC(C)C 2230a_100016988866_100000210206 [0,2,0,0,0,0|2,0,0]=4 2998 B9R0.48 CCNC(=O)CNC(C)C 2230a_100138425928_100000183381 [0,2,0,0,0,0|2,0,0]=4 2999 B9R0.48 CCNC(=O)CNC(C)C 34a_100138425928_100000183381 [0,2,0,0,0,0|2,0,0]=4 3000 B9R0.48 CCNC(=O)COC(C)C 11a_100015525214_100000745533 [0,2,0,0,0,0|2,0,0]=4 3001 B9R0.48 CCNC(=O)COC(C)C 240690a_100015525214_100000745533 [0,2,0,0,0,0|2,0,0]=4 3002 B9R0.48 CCNC(=O)COC(C)C 34a_100000212225_100000183381 [0,2,0,0,0,0|2,0,0]=4 3003 B9R0.48 CCNC(=O)COC(C)C 527a_100015525214_100000745533 [0,2,0,0,0,0|2,0,0]=4 3004 B9R0.48 CCNC(=O)COC(F)F 11a_100015525214_200000719455 [0,2,0,0,0,0|2,0,0]=4 3005 B9R0.48 CCNC(=O)COC(F)F 240690a_100015525214_200000719455 [0,2,0,0,0,0|2,0,0]=4 3006 B9R0.48 CCNC(=O)COC(F)F 527a_100015525214_200000719455 [0,2,0,0,0,0|2,0,0]=4 3007 B9R0.48 CCNC(=O)CSC(C)C 11a_100015525214_100000241585 [0,2,0,0,0,0|2,0,0]=4 3008 B9R0.48 CCNC(=O)CSC(C)C 240690a_100015525214_100000241585 [0,2,0,0,0,0|2,0,0]=4 3009 B9R0.48 CCNC(=O)CSC(C)C 527a_100015525214_100000241585 [0,2,0,0,0,0|2,0,0]=4 3010 B9R0.48 CCNC(=O)CSC(C)C 62a_100000183381_100000210206 [0,2,0,0,0,0|2,0,0]=4 3011 B9R0.48 CCNC(=O)CSC(C)C 62a_100000210206_100000183381 [0,2,0,0,0,0|2,0,0]=4 3012 B9R0.48 CCNC(=O)CSC(F)F 11a_100015525214_114828291038 [0,2,0,0,0,0|2,0,0]=4 3013 B9R0.48 CCNC(=O)CSC(F)F 240690a_100015525214_114828291038 [0,2,0,0,0,0|2,0,0]=4 3014 B9R0.48 CCNC(=O)CSC(F)F 527a_100015525214_114828291038 [0,2,0,0,0,0|2,0,0]=4 3015 B9R0.48 CCNC(=O)NCC(C)C 2708a_100000210953_100015525214 [0,2,0,0,0,0|2,0,0]=4 3016 B9R0.48 CCNC(=O)NCC(C)C 2708a_100015525214_100000210953 [0,2,0,0,0,0|2,0,0]=4 3017 B9R0.48 CCNC(=O)NCC(C)C 273464a_100000210953_100015525214 [0,2,0,0,0,0|2,0,0]=4 3018 B9R0.48 CCNC(=O)NCC(C)C 273464a_100015525214_100000210953 [0,2,0,0,0,0|2,0,0]=4 3019 B9R0.48 CCNC(=O)NCC(C)C 512a_100000210953_100015525214 [0,2,0,0,0,0|2,0,0]=4 3020 B9R0.48 CCNC(=O)NCC(C)C 512a_100015525214_100000210953 [0,2,0,0,0,0|2,0,0]=4 3021 B9R0.48 CCNC(=O)NCC(C)O 2708a_100015525214_100000210904 [0,2,0,0,0,0|1,1,0]=4 3022 B9R0.48 CCNC(=O)NCC(C)O 273464a_100000210904_100015525214 [0,2,0,0,0,0|1,1,0]=4 3023 B9R0.48 CCNC(=O)NCC(C)O 273464a_100015525214_100000210904 [0,2,0,0,0,0|1,1,0]=4 3024 B9R0.48 CCNC(=O)NCC(C)O 512a_100000210904_100015525214 [0,2,0,0,0,0|1,1,0]=4 3025 B9R0.48 CCNC(=O)NCC(C)O 512a_100015525214_100000210904 [0,2,0,0,0,0|1,1,0]=4 3026 B9R0.48 CCNC(=O)NCC(F)F 2708a_100015525214_100000765723 [0,2,0,0,0,0|2,0,0]=4 3027 B9R0.48 CCNC(=O)NCC(F)F 273464a_100000765723_100015525214 [0,2,0,0,0,0|2,0,0]=4 3028 B9R0.48 CCNC(=O)NCC(F)F 273464a_100015525214_100000765723 [0,2,0,0,0,0|2,0,0]=4 3029 B9R0.48 CCNC(=O)NCC(F)F 512a_100000765723_100015525214 [0,2,0,0,0,0|2,0,0]=4 3030 B9R0.48 CCNC(=O)NCC(F)F 512a_100015525214_100000765723 [0,2,0,0,0,0|2,0,0]=4 3031 B9R0.48 CCOC(=O)CCC(=O)C 1458a_100000183558_200000210301 [0,2,0,0,0,0|0,1,0]=3 3032 B9R0.48 CCOC(=O)CCC(=O)[13CH3] 1458a_100000183558_200025704644 [0,2,0,0,0,0|0,1,0]=3 3033 B9R0.48 CCOC(=O)CCN(C)C 2230a_100000745921_200000210301 [0,2,0,0,0,0|1,0,0]=3 3034 B9R0.48 CCOC(=O)CCN(C)C 2230a_100102631434_100011206558 [0,2,0,0,0,0|1,0,0]=3 3035 B9R0.48 CCOC(=O)CCN(C)C 269982a_100000745921_200000210301 [0,2,0,0,0,0|1,0,0]=3 3036 B9R0.48 CCOC(=O)CCN(C)C 269982a_100102631434_100011206558 [0,2,0,0,0,0|1,0,0]=3 3037 B9R0.48 CCOC(=O)CCN(C)[13CH3] 2230a_100000745921_200025704644 [0,2,0,0,0,0|1,0,0]=3 3038 B9R0.48 CCOC(=O)CCN(C)[13CH3] 269982a_100000745921_200025704644 [0,2,0,0,0,0|1,0,0]=3 3039 B9R0.48 CCOC(=O)CNC(=O)C 188690a_100000741813_100015343762 [0,2,0,0,0,0|0,1,1]=4 3040 B9R0.48 CCOC(=O)CNC(C)C 2230a_100138425928_100000188475 [0,2,0,0,0,0|1,0,0]=3 3041 B9R0.48 CCOC(=O)CNC(C)C 34a_100138425928_100000188475 [0,2,0,0,0,0|1,0,0]=3 3042 B9R0.48 CCOC(=O)COC(C)C 34a_100000212225_100000188475 [0,2,0,0,0,0|1,0,0]=3 3043 B9R0.48 CCOC(=O)CSC(C)C 62a_100000188475_100000210206 [0,2,0,0,0,0|1,0,0]=3 3044 B9R0.48 CCOC(=O)CSC(C)C 62a_100000210206_100000188475 [0,2,0,0,0,0|1,0,0]=3 3045 B9R0.48 CCOC(=O)NCC(=O)C 1458a_100000190774_200000210301 [0,2,0,0,0,0|0,1,1]=4 3046 B9R0.48 CCOC(=O)NCC(=O)[13CH3] 1458a_100000190774_200025704644 [0,2,0,0,0,0|0,1,1]=4 3047 B9R0.48 C[S+](C)CCC(=O)CCF 1458a_100009452791_100011217306 [0,2,0,0,0,0|2,0,0]=4 3048 B9R0.48 C[S+](C)CCC(=O)CCO 1458a_100009452791_100000211926 [0,2,0,0,0,0|1,1,0]=4 3049 B9R0.48 O=C(CCF)COC(F)F 1458a_200000719455_100011217306 [0,2,0,0,0,0|2,0,0]=4 3050 B9R0.48 O=C(CCO)COC(F)F 1458a_200000719455_100000211926 [0,2,0,0,0,0|1,1,0]=4 3051 B9R0.48 O=C(CCO)NCC(F)F 240690a_100000765723_100011216618 [0,2,0,0,0,0|1,1,0]=4 3052 B9R0.6 CC(C)C(C)C(=O)CCF 1458a_100000755409_100011217306 [0,2,0,0,0,0|2,0,0]=4 3053 B9R0.6 CC(C)C(C)C(=O)CCO 1458a_100000755409_100000211926 [0,2,0,0,0,0|1,1,0]=4 3054 B9R0.6 CC(C)N(C)C(=O)CCO 240690a_200000211004_100011216618 [0,2,0,0,0,0|1,1,0]=4 3055 B9R0.6 CC(C)[C@@H](O)C(=O)CCF 1458a_100000691806_100011217306 [0,2,0,0,0,0|2,0,0]=4 3056 B9R0.6 CC(C)[C@@H](O)C(=O)CCO 1458a_100000691806_100000211926 [0,2,0,0,0,0|1,1,0]=4 3057 B9R0.6 CCCC(=O)C(C)C(C)C 1458a_100000755409_100000210303 [0,2,0,0,0,0|2,0,0]=4 3058 B9R0.6 CCCC(=O)N(C)C(C)C 11a_200000211004_100000211992 [0,2,0,0,0,0|2,0,0]=4 3059 B9R0.6 CCCC(=O)N(C)C(C)C 1626a_200000211004_100000211992 [0,2,0,0,0,0|2,0,0]=4 3060 B9R0.6 CCCC(=O)N(C)C(C)C 240690a_200000211004_100000211992 [0,2,0,0,0,0|2,0,0]=4 3061 B9R0.6 CCCC(=O)N(C)C(C)C 527a_200000211004_100000211992 [0,2,0,0,0,0|2,0,0]=4 3062 B9R0.6 CCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210303 [0,2,0,0,0,0|2,0,0]=4 3063 B9R0.6 CCNC(=O)C(C)C(C)C 11a_100015525214_100000755409 [0,2,0,0,0,0|2,0,0]=4 3064 B9R0.6 CCNC(=O)C(C)C(C)C 240690a_100015525214_100000755409 [0,2,0,0,0,0|2,0,0]=4 3065 B9R0.6 CCNC(=O)C(C)C(C)C 527a_100015525214_100000755409 [0,2,0,0,0,0|2,0,0]=4 3066 B9R0.6 CCNC(=O)[C@H](O)C(C)C 240690a_100015525214_100000691806 [0,2,0,0,0,0|2,0,0]=4 3067 B9R0.6 CCOC(=O)C(C)C(=O)C 1458a_100000070787_100011216346 [0,2,0,0,0,0|0,1,1]=4 3068 B9R0.6 CCOC(=O)C(C)C(=O)C 1458a_100132301724_200000210301 [0,2,0,0,0,0|0,1,1]=4 3069 B9R0.6 CCOC(=O)C(C)C(=O)[13CH3] 1458a_100132301724_200025704644 [0,2,0,0,0,0|0,1,1]=4 3070 B9R0.6 CCOC(=O)C(C)N(C)C 2230a_100102631434_100011215307 [0,2,0,0,0,0|2,0,0]=4 3071 B9R0.6 CCOC(=O)C(C)N(C)C 269982a_100102631434_100011216346 [0,2,0,0,0,0|2,0,0]=4 3072 B9R0.6 CCOC(=O)C(F)C(=O)C 1458a_100000070787_100000760018 [0,2,0,0,0,0|0,1,1]=4 3073 B9R0.6 CCOC(=O)C(F)N(C)C 2230a_100102631434_100000760018 [0,2,0,0,0,0|2,0,0]=4 3074 B9R0.6 CCOC(=O)C(F)N(C)C 269982a_100102631434_100000760018 [0,2,0,0,0,0|2,0,0]=4 3075 B9R0.19 CCC(C)(C)C(=O)CCF 1458a_100000749717_100011217306 [0,2,0,0,0,0|2,0,0]=4 3076 B9R0.19 CCC(C)(C)C(=O)CCO 1458a_100000749717_100000211926 [0,2,0,0,0,0|1,1,0]=4 3077 B9R0.19 CCC(C)(O)C(=O)CCF 1458a_100011219770_100011217306 [0,2,0,0,0,0|2,0,0]=4 3078 B9R0.19 CCC(C)(O)C(=O)CCO 1458a_100011219770_100000211926 [0,2,0,0,0,0|1,1,0]=4 3079 B9R0.19 CCC(F)(F)C(=O)CCF 1458a_100000061896_100011217306 [0,2,0,0,0,0|2,0,0]=4 3080 B9R0.19 CCC(F)(F)C(=O)CCO 1458a_100000061896_100000211926 [0,2,0,0,0,0|1,1,0]=4 3081 B9R0.19 CCCC(=O)C(C)(C)CC 1458a_100000749717_100000210303 [0,2,0,0,0,0|2,0,0]=4 3082 B9R0.19 CCCC(=O)C(C)(C)CF 1458a_100000138116_100000210303 [0,2,0,0,0,0|2,0,0]=4 3083 B9R0.19 CCCC(=O)C(C)(C)CO 1458a_100000749806_100000210303 [0,2,0,0,0,0|1,1,0]=4 3084 B9R0.19 CCCC(=O)C(C)(O)CC 1458a_100011219770_100000210303 [0,2,0,0,0,0|2,0,0]=4 3085 B9R0.19 CCCC(=O)C(F)(F)CC 1458a_100000061896_100000210303 [0,2,0,0,0,0|2,0,0]=4 3086 B9R0.19 CCNC(=O)C(C)(C)CC 11a_100015525214_100000749717 [0,2,0,0,0,0|2,0,0]=4 3087 B9R0.19 CCNC(=O)C(C)(C)CC 240690a_100015525214_100000749717 [0,2,0,0,0,0|2,0,0]=4 3088 B9R0.19 CCNC(=O)C(C)(C)CC 527a_100015525214_100000749717 [0,2,0,0,0,0|2,0,0]=4 3089 B9R0.19 CCNC(=O)C(C)(C)CF 11a_100015525214_100000138116 [0,2,0,0,0,0|2,0,0]=4 3090 B9R0.19 CCNC(=O)C(C)(C)CF 240690a_100015525214_100000138116 [0,2,0,0,0,0|2,0,0]=4 3091 B9R0.19 CCNC(=O)C(C)(C)CF 527a_100015525214_100000138116 [0,2,0,0,0,0|2,0,0]=4 3092 B9R0.19 CCNC(=O)C(C)(C)CO 240690a_100015525214_100000749806 [0,2,0,0,0,0|1,1,0]=4 3093 B9R0.19 CCNC(=O)C(C)(C)CO 527a_100015525214_100000749806 [0,2,0,0,0,0|1,1,0]=4 3094 B9R0.19 CCNC(=O)C(C)(O)CC 240690a_100015525214_100011219770 [0,2,0,0,0,0|2,0,0]=4 3095 B9R0.19 CCNC(=O)C(F)(F)CC 11a_100015525214_100000061896 [0,2,0,0,0,0|2,0,0]=4 3096 B9R0.19 CCNC(=O)C(F)(F)CC 240690a_100015525214_100000061896 [0,2,0,0,0,0|2,0,0]=4 3097 B9R0.19 CCNC(=O)C(F)(F)CC 527a_100015525214_100000061896 [0,2,0,0,0,0|2,0,0]=4 3098 B9R0.19 CCOC(=O)C(C)(C)NC 2230a_106832991635_100011216345 [0,2,0,0,0,0|2,0,0]=4 3099 B9R0.19 CCOC(=O)C(C)(C)NC 7a_106832991635_100011216345 [0,2,0,0,0,0|2,0,0]=4 3100 B9R0.19 CCOC(=O)C(C)(C)OC 34a_100000686869_200000210301 [0,2,0,0,0,0|2,0,0]=4 3101 B9R0.19 CCOC(=O)C(C)(C)OC 7a_100000686869_200000210301 [0,2,0,0,0,0|2,0,0]=4 3102 B9R0.19 CCOC(=O)C(C)(C)O[13CH3] 34a_100000686869_200025704644 [0,2,0,0,0,0|2,0,0]=4 3103 B9R0.19 CCOC(=O)C(C)(C)O[13CH3] 7a_100000686869_200025704644 [0,2,0,0,0,0|2,0,0]=4 3104 B9R0.19 CCOC(=O)C(C)(C)SC 62a_100011216345_200000210301 [0,2,0,0,0,0|2,0,0]=4 3105 B9R0.19 CCOC(=O)C(C)(C)SC 62a_200000210301_100011216345 [0,2,0,0,0,0|2,0,0]=4 3106 B9R0.19 CCOC(=O)C(C)(C)S[13CH3] 62a_100011216345_200025704644 [0,2,0,0,0,0|2,0,0]=4 3107 B9R0.19 CCOC(=O)C(C)(C)S[13CH3] 62a_200025704644_100011216345 [0,2,0,0,0,0|2,0,0]=4 3108 B9R0.19 CCOC(=O)C(F)(F)NC 34a_100102657272_100000210910 [0,2,0,0,0,0|2,0,0]=4 3109 B9R0.19 CCOC(=O)C(F)(F)NC 7a_106832991635_100000210910 [0,2,0,0,0,0|2,0,0]=4 3110 B9R0.19 CCOC(=O)C(F)(F)OC 34a_100138415774_100000210910 [0,2,0,0,0,0|2,0,0]=4 3111 B9R0.19 CCOC(=O)C(F)(F)SC 62a_100000210910_200000210301 [0,2,0,0,0,0|2,0,0]=4 3112 B9R0.19 CCOC(=O)C(F)(F)SC 62a_200000210301_100000210910 [0,2,0,0,0,0|2,0,0]=4 3113 B9R0.19 CCOC(=O)C(F)(F)S[13CH3] 62a_100000210910_200025704644 [0,2,0,0,0,0|2,0,0]=4 3114 B9R0.19 CCOC(=O)C(F)(F)S[13CH3] 62a_200025704644_100000210910 [0,2,0,0,0,0|2,0,0]=4 3115 B9R0.23 CC(C)CC(=O)C(O)CO 1458a_100011215603_100000210624 [0,2,0,0,0,0|1,1,0]=4 3116 B9R0.23 CC(C)NC(=O)C(O)CO 240690a_100138425928_100011215603 [0,2,0,0,0,0|1,1,0]=4 3117 B9R0.23 CC(C)OC(=O)[C@@H](C)O[13CH3] 34a_100015307928_200025704644 [0,2,0,0,0,0|2,0,0]=4 3118 B9R0.23 CC(C)OC(=O)[C@@H](C)O[13CH3] 7a_100015307928_200025704644 [0,2,0,0,0,0|2,0,0]=4 3119 B9R0.23 CC(O)CC(=O)C(O)CO 1458a_100011215603_100011218427 [0,2,0,0,0,0|1,1,0]=4 3120 B9R0.23 CCC(C)C(=O)CC(C)C 1458a_100000210554_100000758301 [0,2,0,0,0,0|2,0,0]=4 3121 B9R0.23 CCC(C)C(=O)CC(C)C 1458a_100011192722_100000210624 [0,2,0,0,0,0|2,0,0]=4 3122 B9R0.23 CCC(C)C(=O)CC(C)O 1458a_100011192722_100011218427 [0,2,0,0,0,0|1,1,0]=4 3123 B9R0.23 CCC(C)C(=O)CC(F)F 1458a_100011192722_100011934356 [0,2,0,0,0,0|2,0,0]=4 3124 B9R0.23 CCC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000758301 [0,2,0,0,0,0|1,1,0]=4 3125 B9R0.23 CCC(C)C(=O)NC(C)C 11a_100138425928_100011192722 [0,2,0,0,0,0|2,0,0]=4 3126 B9R0.23 CCC(C)C(=O)NC(C)C 1626a_100138425928_100011192722 [0,2,0,0,0,0|2,0,0]=4 3127 B9R0.23 CCC(C)C(=O)NC(C)C 240690a_100138425928_100011192722 [0,2,0,0,0,0|2,0,0]=4 3128 B9R0.23 CCC(C)C(=O)NC(C)C 527a_100138425928_100011192722 [0,2,0,0,0,0|2,0,0]=4 3129 B9R0.23 CCC(O)C(=O)CC(C)C 1458a_100011196387_100000210624 [0,2,0,0,0,0|2,0,0]=4 3130 B9R0.23 CCC(O)C(=O)CC(C)O 1458a_100011196387_100011218427 [0,2,0,0,0,0|1,1,0]=4 3131 B9R0.23 CCC(O)C(=O)CC(F)F 1458a_100011196387_100011934356 [0,2,0,0,0,0|2,0,0]=4 3132 B9R0.23 CCC(O)C(=O)NC(C)C 240690a_100138425928_100011196387 [0,2,0,0,0,0|2,0,0]=4 3133 B9R0.23 CCN(C)C(=O)CC(C)C 11a_100000225621_100000210554 [0,2,0,0,0,0|2,0,0]=4 3134 B9R0.23 CCN(C)C(=O)CC(C)C 1626a_100000225621_100000210554 [0,2,0,0,0,0|2,0,0]=4 3135 B9R0.23 CCN(C)C(=O)CC(C)C 240690a_100000225621_100000210554 [0,2,0,0,0,0|2,0,0]=4 3136 B9R0.23 CCN(C)C(=O)CC(C)C 527a_100000225621_100000210554 [0,2,0,0,0,0|2,0,0]=4 3137 B9R0.23 CCN(C)C(=O)C[C@@H](C)O 240690a_100000225621_100011933948 [0,2,0,0,0,0|1,1,0]=4 3138 B9R0.23 CO[C@H](C)C(=O)OC(C)C 34a_100015307928_200000210301 [0,2,0,0,0,0|2,0,0]=4 3139 B9R0.23 CO[C@H](C)C(=O)OC(C)C 7a_100015307928_200000210301 [0,2,0,0,0,0|2,0,0]=4 3140 B9R0.27 CCC(C)C(=O)C(C)CC 1458a_100011192722_100000758301 [0,2,0,0,0,0|2,0,0]=4 3141 B9R0.27 CCC(C)C(=O)C(O)CC 1458a_100011196387_100000758301 [0,2,0,0,0,0|2,0,0]=4 3142 B9R0.27 CCC(C)C(=O)C(O)CO 1458a_100011215603_100000758301 [0,2,0,0,0,0|1,1,0]=4 3143 B9R0.27 CCC(C)C(=O)N(C)CC 11a_100000225621_100011192722 [0,2,0,0,0,0|2,0,0]=4 3144 B9R0.27 CCC(C)C(=O)N(C)CC 1626a_100000225621_100011192722 [0,2,0,0,0,0|2,0,0]=4 3145 B9R0.27 CCC(C)C(=O)N(C)CC 240690a_100000225621_100011192722 [0,2,0,0,0,0|2,0,0]=4 3146 B9R0.27 CCC(C)C(=O)N(C)CC 527a_100000225621_100011192722 [0,2,0,0,0,0|2,0,0]=4 3147 B9R0.27 CCC(O)C(=O)N(C)CC 240690a_100000225621_100011196387 [0,2,0,0,0,0|2,0,0]=4 3148 B9R0.27 CCN(C)C(=O)C(O)CO 240690a_100000225621_100011215603 [0,2,0,0,0,0|1,1,0]=4 3149 B9R0.37 CCC(CC)C(=O)CCF 1458a_100000211163_100011217306 [0,2,0,0,0,0|2,0,0]=4 3150 B9R0.37 CCC(CC)C(=O)CCO 1458a_100000211163_100000211926 [0,2,0,0,0,0|1,1,0]=4 3151 B9R0.37 CCC(CC)C(=O)CCO 1458a_100011216618_100000210505 [0,2,0,0,0,0|1,1,0]=4 3152 B9R0.37 CCC(OC)C(=O)CCF 1458a_100000747056_100011217306 [0,2,0,0,0,0|2,0,0]=4 3153 B9R0.37 CCC(OC)C(=O)CCO 1458a_100000747056_100000211926 [0,2,0,0,0,0|1,1,0]=4 3154 B9R0.37 CCCC(=O)C(CC)CC 1458a_100000211163_100000210303 [0,2,0,0,0,0|2,0,0]=4 3155 B9R0.37 CCCC(=O)C(CC)CC 1458a_100000211992_100000210505 [0,2,0,0,0,0|2,0,0]=4 3156 B9R0.37 CCCC(=O)C(CC)OC 1458a_100000747056_100000210303 [0,2,0,0,0,0|2,0,0]=4 3157 B9R0.37 CCCC(=O)N(CC)CC 11a_100000724800_100000211992 [0,2,0,0,0,0|2,0,0]=4 3158 B9R0.37 CCCC(=O)N(CC)CC 1626a_100000724800_100000211992 [0,2,0,0,0,0|2,0,0]=4 3159 B9R0.37 CCCC(=O)N(CC)CC 240690a_100000724800_100000211992 [0,2,0,0,0,0|2,0,0]=4 3160 B9R0.37 CCCC(=O)N(CC)CC 527a_100000724800_100000211992 [0,2,0,0,0,0|2,0,0]=4 3161 B9R0.37 CCN(CC)C(=O)CCO 240690a_100000724800_100011216618 [0,2,0,0,0,0|1,1,0]=4 3162 B9R0.37 CCNC(=O)C(CC)CC 11a_100015525214_100000211163 [0,2,0,0,0,0|2,0,0]=4 3163 B9R0.37 CCNC(=O)C(CC)CC 240690a_100015525214_100000211163 [0,2,0,0,0,0|2,0,0]=4 3164 B9R0.37 CCNC(=O)C(CC)CC 527a_100015525214_100000211163 [0,2,0,0,0,0|2,0,0]=4 3165 B9R0.37 CCNC(=O)C(CC)OC 11a_100015525214_100000747056 [0,2,0,0,0,0|2,0,0]=4 3166 B9R0.37 CCNC(=O)C(CC)OC 240690a_100015525214_100000747056 [0,2,0,0,0,0|2,0,0]=4 3167 B9R0.37 CCNC(=O)C(CC)OC 527a_100015525214_100000747056 [0,2,0,0,0,0|2,0,0]=4 3168 B9R0.37 CCOC(=O)C(C=O)SC 62a_100000053139_200000210301 [0,2,0,0,0,0|0,1,1]=4 3169 B9R0.37 CCOC(=O)C(C=O)SC 62a_200000210301_100000053139 [0,2,0,0,0,0|0,1,1]=4 3170 B9R0.37 CCOC(=O)C(C=O)S[13CH3] 62a_100000053139_200025704644 [0,2,0,0,0,0|0,1,1]=4 3171 B9R0.37 CCOC(=O)C(C=O)S[13CH3] 62a_200025704644_100000053139 [0,2,0,0,0,0|0,1,1]=4 3172 B9R0.37 CCOC(=O)C(CC)NC 2230a_106832991635_100000212269 [0,2,0,0,0,0|1,0,0]=3 3173 B9R0.37 CCOC(=O)C(CC)NC 34a_100102657272_100000212269 [0,2,0,0,0,0|1,0,0]=3 3174 B9R0.37 CCOC(=O)C(CC)NC 7a_106832991635_100000212269 [0,2,0,0,0,0|1,0,0]=3 3175 B9R0.37 CCOC(=O)C(CC)OC 34a_100011216719_200000210301 [0,2,0,0,0,0|1,0,0]=3 3176 B9R0.37 CCOC(=O)C(CC)OC 34a_100138415774_100000212269 [0,2,0,0,0,0|1,0,0]=3 3177 B9R0.37 CCOC(=O)C(CC)OC 7a_100011216719_200000210301 [0,2,0,0,0,0|1,0,0]=3 3178 B9R0.37 CCOC(=O)C(CC)O[13CH3] 34a_100011216719_200025704644 [0,2,0,0,0,0|1,0,0]=3 3179 B9R0.37 CCOC(=O)C(CC)O[13CH3] 7a_100011216719_200025704644 [0,2,0,0,0,0|1,0,0]=3 3180 B9R0.37 CCOC(=O)C(CC)SC 62a_100000212269_200000210301 [0,2,0,0,0,0|1,0,0]=3 3181 B9R0.37 CCOC(=O)C(CC)SC 62a_200000210301_100000212269 [0,2,0,0,0,0|1,0,0]=3 3182 B9R0.37 CCOC(=O)C(CC)S[13CH3] 62a_100000212269_200025704644 [0,2,0,0,0,0|1,0,0]=3 3183 B9R0.37 CCOC(=O)C(CC)S[13CH3] 62a_200025704644_100000212269 [0,2,0,0,0,0|1,0,0]=3 3184 B9R0.37 CCOC(=O)C(NC)SC 34a_100102657272_100009893047 [0,2,0,0,0,0|2,0,0]=4 3185 B9R0.37 CCOC(=O)C(OC)SC 34a_100138415774_100009893047 [0,2,0,0,0,0|2,0,0]=4 3186 B9R0.37 CCOC(=O)C(SC)SC 62a_100009893047_200000210301 [0,2,0,0,0,0|2,0,0]=4 3187 B9R0.37 CCOC(=O)C(SC)SC 62a_200000210301_100009893047 [0,2,0,0,0,0|2,0,0]=4 3188 B9R0.37 CCOC(=O)C(SC)S[13CH3] 62a_100009893047_200025704644 [0,2,0,0,0,0|2,0,0]=4 3189 B9R0.37 CCOC(=O)C(SC)S[13CH3] 62a_200025704644_100009893047 [0,2,0,0,0,0|2,0,0]=4 3190 B9R0.44 CC(C)(C)CC(=O)CCF 1458a_100000211214_100011217306 [0,2,0,0,0,0|2,0,0]=4 3191 B9R0.44 CC(C)(C)CC(=O)CCO 1458a_100000211214_100000211926 [0,2,0,0,0,0|1,1,0]=4 3192 B9R0.44 CC(C)(C)NC(=O)CCO 240690a_100000715429_100011216618 [0,2,0,0,0,0|1,1,0]=4 3193 B9R0.44 CC(C)(C)OC(=O)CO[13CH3] 34a_100000752683_200025704644 [0,2,0,0,0,0|2,0,0]=4 3194 B9R0.44 CC(C)(C)OC(=O)CS[13CH3] 62a_100000183872_200025704644 [0,2,0,0,0,0|2,0,0]=4 3195 B9R0.44 CC(C)(C)OC(=O)CS[13CH3] 62a_200025704644_100000183872 [0,2,0,0,0,0|2,0,0]=4 3196 B9R0.44 CC(C)(O)CC(=O)CCF 1458a_100000693243_100011217306 [0,2,0,0,0,0|2,0,0]=4 3197 B9R0.44 CC(C)(O)CC(=O)CCO 1458a_100000693243_100000211926 [0,2,0,0,0,0|1,1,0]=4 3198 B9R0.44 CCCC(=O)CC(C)(C)C 1458a_100000211214_100000210303 [0,2,0,0,0,0|2,0,0]=4 3199 B9R0.44 CCCC(=O)CC(C)(C)O 1458a_100000693243_100000210303 [0,2,0,0,0,0|1,1,0]=4 3200 B9R0.44 CCCC(=O)CC(F)(F)F 1458a_100000245130_100000210303 [0,2,0,0,0,0|2,0,0]=4 3201 B9R0.44 CCCC(=O)NC(C)(C)C 11a_100000715429_100000211992 [0,2,0,0,0,0|2,0,0]=4 3202 B9R0.44 CCCC(=O)NC(C)(C)C 1626a_100000715429_100000211992 [0,2,0,0,0,0|2,0,0]=4 3203 B9R0.44 CCCC(=O)NC(C)(C)C 240690a_100000715429_100000211992 [0,2,0,0,0,0|2,0,0]=4 3204 B9R0.44 CCCC(=O)NC(C)(C)C 527a_100000715429_100000211992 [0,2,0,0,0,0|2,0,0]=4 3205 B9R0.44 CCNC(=O)CC(C)(C)C 11a_100015525214_100000211214 [0,2,0,0,0,0|2,0,0]=4 3206 B9R0.44 CCNC(=O)CC(C)(C)C 240690a_100015525214_100000211214 [0,2,0,0,0,0|2,0,0]=4 3207 B9R0.44 CCNC(=O)CC(C)(C)C 527a_100015525214_100000211214 [0,2,0,0,0,0|2,0,0]=4 3208 B9R0.44 CCNC(=O)CC(C)(C)O 527a_100015525214_100000693243 [0,2,0,0,0,0|1,1,0]=4 3209 B9R0.44 CCNC(=O)CC(F)(F)F 11a_100015525214_100000245130 [0,2,0,0,0,0|2,0,0]=4 3210 B9R0.44 CCNC(=O)CC(F)(F)F 527a_100015525214_100000245130 [0,2,0,0,0,0|2,0,0]=4 3211 B9R0.44 CNCC(=O)OC(C)(C)C 2230a_106832991635_100000183872 [0,2,0,0,0,0|2,0,0]=4 3212 B9R0.44 CNCC(=O)OC(C)(C)C 34a_100102657272_100000183872 [0,2,0,0,0,0|2,0,0]=4 3213 B9R0.44 CNCC(=O)OC(C)(C)C 7a_106832991635_100000183872 [0,2,0,0,0,0|2,0,0]=4 3214 B9R0.44 COCC(=O)OC(C)(C)C 34a_100000752683_200000210301 [0,2,0,0,0,0|2,0,0]=4 3215 B9R0.44 COCC(=O)OC(C)(C)C 34a_100138415774_100000183872 [0,2,0,0,0,0|2,0,0]=4 3216 B9R0.44 CSCC(=O)OC(C)(C)C 62a_100000183872_200000210301 [0,2,0,0,0,0|2,0,0]=4 3217 B9R0.44 CSCC(=O)OC(C)(C)C 62a_200000210301_100000183872 [0,2,0,0,0,0|2,0,0]=4 3218 B9R0.53 CC(=O)CC(=O)OC(C)C 1458a_100000070787_100011215430 [0,2,0,0,0,0|0,1,1]=4 3219 B9R0.53 CC(C)CC(=O)CC(C)C 1458a_100000210554_100000210624 [0,2,0,0,0,0|2,0,0]=4 3220 B9R0.53 CC(C)CC(=O)CC(C)O 1458a_100000210554_100011218427 [0,2,0,0,0,0|1,1,0]=4 3221 B9R0.53 CC(C)CC(=O)CC(F)F 1458a_100000210554_100011934356 [0,2,0,0,0,0|2,0,0]=4 3222 B9R0.53 CC(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100000210624 [0,2,0,0,0,0|1,1,0]=4 3223 B9R0.53 CC(C)CC(=O)NC(C)C 11a_100138425928_100000210554 [0,2,0,0,0,0|2,0,0]=4 3224 B9R0.53 CC(C)CC(=O)NC(C)C 1626a_100138425928_100000210554 [0,2,0,0,0,0|2,0,0]=4 3225 B9R0.53 CC(C)CC(=O)NC(C)C 240690a_100138425928_100000210554 [0,2,0,0,0,0|2,0,0]=4 3226 B9R0.53 CC(C)CC(=O)NC(C)C 527a_100138425928_100000210554 [0,2,0,0,0,0|2,0,0]=4 3227 B9R0.53 CC(C)NC(=O)C[C@@H](C)O 240690a_100138425928_100011933948 [0,2,0,0,0,0|1,1,0]=4 3228 B9R0.53 CC(C)OC(=O)CN(C)C 2230a_100102631434_100011215430 [0,2,0,0,0,0|2,0,0]=4 3229 B9R0.53 CC(C)OC(=O)CN(C)C 269982a_100102631434_100011215430 [0,2,0,0,0,0|2,0,0]=4 3230 B9R0.53 CC(O)CC(=O)C[C@@H](C)O 1458a_100011933948_100011218427 [0,2,0,0,0,0|1,1,0]=4 3231 B9R0.53 C[C@@H](O)CC(=O)CC(F)F 1458a_100011933948_100011934356 [0,2,0,0,0,0|2,0,0]=4 3232 B9R0.15 CCCC(OCC)C(=O)N 34a_100011626294_100000210202 [0,2,0,0,0,0|1,0,1]=4 3233 B9R0.15 CCCC(OCC)C(=O)N 7a_100011626294_100000210202 [0,2,0,0,0,0|1,0,1]=4 3234 B7R1.1 CCN1CCSC1 2230a_100011215254_100000210202 [1,0,0,1,0,0|2,0,0]=4 3235 B7R1.1 CCN1CCSC1 269982a_100011215254_100000204670 [1,0,0,1,0,0|2,0,0]=4 3236 B7R1.1 COC1CCSC1 7a_100011232664_200000210301 [1,0,0,1,0,0|1,0,1]=4 3237 B7R1.1 [13CH3]OC1CCSC1 7a_100011232664_200025704644 [1,0,0,1,0,0|1,0,1]=4 3238 B7R1.3 CN1CCSCC1 2230a_100000737611_200000210301 [1,0,0,1,0,0|2,0,0]=4 3239 B7R1.3 CN1CCSCC1 269982a_100000737611_200000210301 [1,0,0,1,0,0|2,0,0]=4 3240 B7R1.3 [13CH3]N1CCSCC1 2230a_100000737611_200025704644 [1,0,0,1,0,0|2,0,0]=4 3241 B7R1.3 [13CH3]N1CCSCC1 269982a_100000737611_200025704644 [1,0,0,1,0,0|2,0,0]=4 3242 B7R1.4 CC1SCCN1C 2230a_200011216479_200000210301 [1,0,0,1,0,0|2,0,0]=4 3243 B7R1.4 CC1SCCN1C 269982a_200011216479_200000210301 [1,0,0,1,0,0|2,0,0]=4 3244 B7R1.4 CC1SCCN1C 34a_200011216479_200000210301 [1,0,0,1,0,0|2,0,0]=4 3245 B7R1.4 CC1SCCN1[13CH3] 2230a_200011216479_200025704644 [1,0,0,1,0,0|2,0,0]=4 3246 B7R1.4 CC1SCCN1[13CH3] 269982a_200011216479_200025704644 [1,0,0,1,0,0|2,0,0]=4 3247 B7R1.4 CC1SCCN1[13CH3] 34a_200011216479_200025704644 [1,0,0,1,0,0|2,0,0]=4 3248 B7R1.6 CCOC1CCC1 34a_100000748187_100000210202 [1,0,0,1,0,0|1,0,1]=4 3249 B7R1.6 CCOC1CCC1 34a_100121572206_100000749161 [1,0,0,1,0,0|1,0,1]=4 3250 B7R1.6 CCOC1CSC1 7a_100000072292_100000210202 [1,0,0,1,0,0|1,0,1]=4 3251 B7R1.8 CNC1CCC1=O 34a_100102657272_100009892977 [1,0,0,1,0,0|2,0,0]=4 3252 B7R1.8 CNC1CCC1=O 7a_106832991635_100009892977 [1,0,0,1,0,0|2,0,0]=4 3253 B7R1.8 COC1CCC1=O 34a_100138415774_100009892977 [1,0,0,1,0,0|2,0,0]=4 3254 B7R1.8 CSC1CCC1=O 62a_100009892977_200000210301 [1,0,0,1,0,0|2,0,0]=4 3255 B7R1.8 CSC1CCC1=O 62a_200000210301_100009892977 [1,0,0,1,0,0|2,0,0]=4 3256 B7R1.8 [13CH3]SC1CCC1=O 62a_100009892977_200025704644 [1,0,0,1,0,0|2,0,0]=4 3257 B7R1.8 [13CH3]SC1CCC1=O 62a_200025704644_100009892977 [1,0,0,1,0,0|2,0,0]=4 3258 B7R1.21 CCOC1(CC1)C 7a_100011725673_100000210202 [1,0,0,1,0,0|1,0,1]=4 3259 B7R1.22 CCC(=O)C1CC1 1458a_100000210395_100000210202 [1,0,0,1,0,0|1,0,0]=3 3260 B7R1.22 CCC(=O)C1CO1 1458a_100000701028_100000210202 [1,0,0,1,0,0|0,1,0]=3 3261 B7R1.22 CNC(=O)C1CC1 11a_106832991635_100000210395 [1,0,0,1,0,0|2,0,0]=4 3262 B7R1.22 CNC(=O)C1CC1 1626a_100102657272_100000210395 [1,0,0,1,0,0|2,0,0]=4 3263 B7R1.22 CNC(=O)C1CC1 240690a_100102657272_100000210395 [1,0,0,1,0,0|2,0,0]=4 3264 B7R1.22 CNC(=O)C1CC1 527a_100102657272_100000210395 [1,0,0,1,0,0|2,0,0]=4 3265 B7R1.22 CNC(=O)C1CO1 11a_106832991635_100000701028 [1,0,0,1,0,0|1,1,0]=4 3266 B7R1.22 CNC(=O)C1CO1 1626a_100102657272_100000701028 [1,0,0,1,0,0|1,1,0]=4 3267 B7R1.22 CNC(=O)C1CO1 240690a_100102657272_100000701028 [1,0,0,1,0,0|1,1,0]=4 3268 B7R1.22 CNC(=O)C1CO1 527a_100102657272_100000701028 [1,0,0,1,0,0|1,1,0]=4 3269 B7R1.22 O=C(CF)C1CC1 1458a_100000210395_100015361967 [1,0,0,1,0,0|2,0,0]=4 3270 B7R1.22 O=C(CF)C1CO1 1458a_100000701028_100015361967 [1,0,0,1,0,0|1,1,0]=4 3271 B7R1.7 CCOCC1CC1 34a_100000211283_100000210202 [1,0,0,1,0,0|1,0,1]=4 3272 B7R1.7 CCOCC1CC1 34a_100121572206_100000742324 [1,0,0,1,0,0|1,0,1]=4 3273 B7R1.7 CCOCC1CO1 34a_100121572206_102125554688 [1,0,0,1,0,0|0,1,1]=4 3274 B7R1.7 CCOC[C@@H]1CO1 34a_100000757423_100000210202 [1,0,0,1,0,0|0,1,1]=4 3275 B7R1.7 CCSCC1CS1 62a_100000031435_100000210202 [1,0,0,1,0,0|0,1,1]=4 3276 B7R1.7 CCSCC1CS1 62a_100000210202_100000031435 [1,0,0,1,0,0|0,1,1]=4 3277 B9R1.2 CCN1CCNC(=O)C1 2230a_100000184651_100000210202 [0,1,0,1,0,0|2,0,0]=4 3278 B9R1.2 CCN1CCOC(=O)C1 2230a_100000131268_100000210202 [0,1,0,1,0,0|1,0,0]=3 3279 B9R1.2 CNC1CCNC(=O)C1 2230a_100016994916_200000210301 [0,1,0,1,0,0|2,0,0]=4 3280 B9R1.2 CNC1CCNC(=O)C1 34a_100016994916_200000210301 [0,1,0,1,0,0|2,0,0]=4 3281 B9R1.2 COC1CCCC(=O)C1 34a_100012613340_200000210301 [0,1,0,1,0,0|1,1,0]=4 3282 B9R1.2 CO[C@@H]1CCNC(=O)C1 34a_100015189427_200000210301 [0,1,0,1,0,0|1,1,0]=4 3283 B9R1.2 [13CH3]NC1CCNC(=O)C1 2230a_100016994916_200025704644 [0,1,0,1,0,0|2,0,0]=4 3284 B9R1.2 [13CH3]NC1CCNC(=O)C1 34a_100016994916_200025704644 [0,1,0,1,0,0|2,0,0]=4 3285 B9R1.2 [13CH3]OC1CCCC(=O)C1 34a_100012613340_200025704644 [0,1,0,1,0,0|1,1,0]=4 3286 B9R1.2 [13CH3]O[C@@H]1CCNC(=O)C1 34a_100015189427_200025704644 [0,1,0,1,0,0|1,1,0]=4 3287 B9R1.8 CCOC1CCCSC1 7a_100015962668_100000210202 [0,1,0,1,0,0|1,0,1]=4 3288 B9R1.8 CCOC1CCSCC1 34a_100000731022_100000210202 [0,1,0,1,0,0|1,0,1]=4 3289 B9R1.8 CCOC1CCSCC1 34a_100121572206_100000069128 [0,1,0,1,0,0|1,0,1]=4 3290 B9R1.8 CCOC1CCSCC1 7a_100000731022_100000210202 [0,1,0,1,0,0|1,0,1]=4 3291 B9R1.12 CCCOC1CCSC1 7a_100011232664_100000210303 [0,1,0,1,0,0|1,0,1]=4 3292 B9R1.12 CCNN=C1CCSC1 4a_100000756455_100000212027 [0,1,0,1,0,0|2,0,0]=4 3293 B9R1.12 CCOCN1CCSC1 269982a_100011215254_100000739092 [0,1,0,1,0,0|2,0,0]=4 3294 B9R1.12 CSCCC1OCCO1 62a_200000210301_100000740749 [0,1,0,1,0,0|0,0,2]=4 3295 B9R1.12 FCCOC1CCSC1 7a_100011232664_100011217306 [0,1,0,1,0,0|1,0,1]=4 3296 B9R1.12 OCCOC1CCSC1 7a_100011232664_100000211926 [0,1,0,1,0,0|1,0,1]=4 3297 B9R1.12 [13CH3]SCCC1OCCO1 62a_200025704644_100000740749 [0,1,0,1,0,0|0,0,2]=4 3298 B9R1.22 CC1CC(C(=O)O1)S[13CH3] 62a_200000216747_200025704644 [0,1,0,1,0,0|2,0,0]=4 3299 B9R1.22 CC1CC(C(=O)O1)S[13CH3] 62a_200025704644_200000216747 [0,1,0,1,0,0|2,0,0]=4 3300 B9R1.22 CNC1CC(OC1=O)C 2230a_106832991635_200000216747 [0,1,0,1,0,0|2,0,0]=4 3301 B9R1.22 CNC1CC(OC1=O)C 34a_100102657272_200000216747 [0,1,0,1,0,0|2,0,0]=4 3302 B9R1.22 CNC1CC(OC1=O)C 7a_106832991635_200000216747 [0,1,0,1,0,0|2,0,0]=4 3303 B9R1.22 COC1CC(OC1=O)C 34a_100138415774_200000216747 [0,1,0,1,0,0|2,0,0]=4 3304 B9R1.22 CSC1CC(OC1=O)C 62a_200000210301_200000216747 [0,1,0,1,0,0|2,0,0]=4 3305 B9R1.22 CSC1CC(OC1=O)C 62a_200000216747_200000210301 [0,1,0,1,0,0|2,0,0]=4 3306 B9R1.33 CCNC1CCCC1=O 2230a_100015525214_100000211823 [0,1,0,1,0,0|2,0,0]=4 3307 B9R1.33 CCNC1CCNC1=O 2230a_100016995588_100000210202 [0,1,0,1,0,0|2,0,0]=4 3308 B9R1.33 CCNC1CCNC1=O 34a_100016995588_100000210202 [0,1,0,1,0,0|2,0,0]=4 3309 B9R1.33 CCNC1CCOC1=O 2230a_100015525214_100000211211 [0,1,0,1,0,0|1,0,0]=3 3310 B9R1.33 CCOC1CCCC1=O 34a_100121572206_100000709159 [0,1,0,1,0,0|1,0,0]=3 3311 B9R1.33 CCOC1CCCC1=O 34a_200000719330_100000210202 [0,1,0,1,0,0|1,0,0]=3 3312 B9R1.33 CCOC1CCOC1=O 34a_100121572206_100000211211 [0,1,0,1,0,0|1,0,0]=3 3313 B9R1.33 CCO[C@H]1CCNC1=O 34a_100000688343_100000210202 [0,1,0,1,0,0|1,0,1]=4 3314 B9R1.33 CCSC1CCCC1=O 62a_100000210202_100000211823 [0,1,0,1,0,0|1,1,0]=4 3315 B9R1.33 CCSC1CCCC1=O 62a_100000211823_100000210202 [0,1,0,1,0,0|1,1,0]=4 3316 B9R1.33 CCSC1CCOC1=O 62a_100000210202_100000211211 [0,1,0,1,0,0|1,0,0]=3 3317 B9R1.33 CCSC1CCOC1=O 62a_100000211211_100000210202 [0,1,0,1,0,0|1,0,0]=3 3318 B9R1.33 COCC1=CCCC1=O 34a_100000087531_200000210301 [0,1,0,1,0,0|2,0,0]=4 3319 B9R1.33 COCC1CCNC1=O 34a_100000133458_200000210301 [0,1,0,1,0,0|1,1,0]=4 3320 B9R1.33 CSCN1CCCC1=O 62a_100000026320_200000210301 [0,1,0,1,0,0|2,0,0]=4 3321 B9R1.33 CSCN1CCCC1=O 62a_200000210301_100000026320 [0,1,0,1,0,0|2,0,0]=4 3322 B9R1.33 O=C1CCCC1OCF 34a_200000719330_100015361967 [0,1,0,1,0,0|2,0,0]=4 3323 B9R1.33 O=C1CCCC1SCF 62a_100000211823_100015361967 [0,1,0,1,0,0|2,0,0]=4 3324 B9R1.33 O=C1CCCC1SCF 62a_100015361967_100000211823 [0,1,0,1,0,0|2,0,0]=4 3325 B9R1.33 O=C1NCCC1NCF 34a_100016995588_100015361967 [0,1,0,1,0,0|2,0,0]=4 3326 B9R1.33 O=C1NCC[C@@H]1OCF 34a_100000688343_100015361967 [0,1,0,1,0,0|2,0,0]=4 3327 B9R1.33 O=C1OCCC1SCF 62a_100000211211_100015361967 [0,1,0,1,0,0|1,0,0]=3 3328 B9R1.33 O=C1OCCC1SCF 62a_100015361967_100000211211 [0,1,0,1,0,0|1,0,0]=3 3329 B9R1.33 [13CH3]OCC1=CCCC1=O 34a_100000087531_200025704644 [0,1,0,1,0,0|2,0,0]=4 3330 B9R1.33 [13CH3]OCC1CCNC1=O 34a_100000133458_200025704644 [0,1,0,1,0,0|1,1,0]=4 3331 B9R1.33 [13CH3]SCN1CCCC1=O 62a_100000026320_200025704644 [0,1,0,1,0,0|2,0,0]=4 3332 B9R1.33 [13CH3]SCN1CCCC1=O 62a_200025704644_100000026320 [0,1,0,1,0,0|2,0,0]=4 3333 B9R1.49 CN1CCNC(=O)CC1 2230a_100000698595_200000210301 [0,1,0,1,0,0|2,0,0]=4 3334 B9R1.49 CN1CCNC(=O)CC1 269982a_100000698595_200000210301 [0,1,0,1,0,0|2,0,0]=4 3335 B9R1.49 [13CH3]N1CCNC(=O)CC1 2230a_100000698595_200025704644 [0,1,0,1,0,0|2,0,0]=4 3336 B9R1.49 [13CH3]N1CCNC(=O)CC1 269982a_100000698595_200025704644 [0,1,0,1,0,0|2,0,0]=4 3337 B9R1.73 C#CCC(=O)C1CCO1 1458a_100000089072_100000184674 [0,1,0,1,0,0|1,0,1]=4 3338 B9R1.73 C=CCC(=O)C1CCO1 1458a_100000089072_100000210623 [0,1,0,1,0,0|1,0,1]=4 3339 B9R1.73 CCCC(=O)C1CCC1 1458a_100000209988_100000210303 [0,1,0,1,0,0|2,0,0]=4 3340 B9R1.73 CCCC(=O)C1CCC1 1458a_100000211992_100000749161 [0,1,0,1,0,0|2,0,0]=4 3341 B9R1.73 CCCC(=O)C1CCO1 1458a_100000089072_100000210303 [0,1,0,1,0,0|1,0,0]=3 3342 B9R1.73 CCCC(=O)C1COC1 1458a_100000211992_100000687716 [0,1,0,1,0,0|1,1,0]=4 3343 B9R1.73 CCCC(=O)C1COC1 1458a_100000758290_100000210303 [0,1,0,1,0,0|1,1,0]=4 3344 B9R1.73 CCCC(=O)N1CCC1 11a_100000754969_100000211992 [0,1,0,1,0,0|2,0,0]=4 3345 B9R1.73 CCCC(=O)N1CCC1 240690a_100000754969_100000211992 [0,1,0,1,0,0|2,0,0]=4 3346 B9R1.73 CCCC(=O)N1CCC1 527a_100000754969_100000211992 [0,1,0,1,0,0|2,0,0]=4 3347 B9R1.73 CCNC(=O)C1CCC1 11a_100015525214_100000209988 [0,1,0,1,0,0|2,0,0]=4 3348 B9R1.73 CCNC(=O)C1CCC1 240690a_100015525214_100000209988 [0,1,0,1,0,0|2,0,0]=4 3349 B9R1.73 CCNC(=O)C1CCC1 527a_100015525214_100000209988 [0,1,0,1,0,0|2,0,0]=4 3350 B9R1.73 CCNC(=O)C1CCO1 11a_100015525214_100000089072 [0,1,0,1,0,0|1,1,0]=4 3351 B9R1.73 CCNC(=O)C1CCO1 240690a_100015525214_100000089072 [0,1,0,1,0,0|1,1,0]=4 3352 B9R1.73 CCNC(=O)C1CCO1 527a_100015525214_100000089072 [0,1,0,1,0,0|1,1,0]=4 3353 B9R1.73 CCNC(=O)C1COC1 11a_100015525214_100000758290 [0,1,0,1,0,0|1,1,0]=4 3354 B9R1.73 CCNC(=O)C1COC1 240690a_100015525214_100000758290 [0,1,0,1,0,0|1,1,0]=4 3355 B9R1.73 CCNC(=O)C1COC1 527a_100015525214_100000758290 [0,1,0,1,0,0|1,1,0]=4 3356 B9R1.73 CCNC(=O)N1CCC1 2708a_100015525214_100000754969 [0,1,0,1,0,0|2,0,0]=4 3357 B9R1.73 CCNC(=O)N1CCC1 273464a_100015525214_100000754969 [0,1,0,1,0,0|2,0,0]=4 3358 B9R1.73 N#CCC(=O)C1CCO1 1458a_100000089072_100011214920 [0,1,0,1,0,0|1,0,1]=4 3359 B9R1.73 O=C(CCF)C1CCC1 1458a_100000209988_100011217306 [0,1,0,1,0,0|2,0,0]=4 3360 B9R1.73 O=C(CCF)C1CCO1 1458a_100000089072_100011217306 [0,1,0,1,0,0|1,0,0]=3 3361 B9R1.73 O=C(CCF)C1COC1 1458a_100000758290_100011217306 [0,1,0,1,0,0|2,0,0]=4 3362 B9R1.73 O=C(CCO)C1CCC1 1458a_100000209988_100000211926 [0,1,0,1,0,0|1,1,0]=4 3363 B9R1.73 O=C(CCO)C1CCC1 1458a_100011216618_100000749161 [0,1,0,1,0,0|1,1,0]=4 3364 B9R1.73 O=C(CCO)C1CCO1 1458a_100000089072_100000211926 [0,1,0,1,0,0|0,1,0]=3 3365 B9R1.73 O=C(CCO)C1COC1 1458a_100000758290_100000211926 [0,1,0,1,0,0|1,1,0]=4 3366 B9R1.73 O=C(CCO)C1COC1 1458a_100011216618_100000687716 [0,1,0,1,0,0|1,1,0]=4 3367 B9R1.73 O=C(CCO)N1CCC1 240690a_100000754969_100011216618 [0,1,0,1,0,0|1,1,0]=4 3368 B9R1.75 CC#CC(=O)CC1CS1 1458a_100000763181_100000031435 [0,1,0,1,0,0|1,0,1]=4 3369 B9R1.75 CC=CC(=O)CC1CS1 1458a_100000210699_100000031435 [0,1,0,1,0,0|1,0,1]=4 3370 B9R1.75 CCCC(=O)CC1CC1 1458a_100000211992_100000742324 [0,1,0,1,0,0|2,0,0]=4 3371 B9R1.75 CCCC(=O)CC1CC1 1458a_100000738066_100000210303 [0,1,0,1,0,0|2,0,0]=4 3372 B9R1.75 CCCC(=O)CC1CO1 1458a_100000211992_100011216344 [0,1,0,1,0,0|1,1,0]=4 3373 B9R1.75 CCCC(=O)CC1CS1 1458a_100000211992_100000031435 [0,1,0,1,0,0|1,0,0]=3 3374 B9R1.75 CCCC(=O)C[C@@H]1CO1 1458a_100000211992_100000745022 [0,1,0,1,0,0|1,1,0]=4 3375 B9R1.75 CCCC(=O)NC1CC1 1626a_100000212008_100000211992 [0,1,0,1,0,0|2,0,0]=4 3376 B9R1.75 CCCC(=O)NC1CC1 240690a_100000212008_100000211992 [0,1,0,1,0,0|2,0,0]=4 3377 B9R1.75 CCCC(=O)NC1CC1 527a_100000212008_100000211992 [0,1,0,1,0,0|2,0,0]=4 3378 B9R1.75 CCNC(=O)CC1CC1 11a_100015525214_100000738066 [0,1,0,1,0,0|2,0,0]=4 3379 B9R1.75 CCNC(=O)CC1CC1 240690a_100015525214_100000738066 [0,1,0,1,0,0|2,0,0]=4 3380 B9R1.75 CCNC(=O)CC1CC1 527a_100015525214_100000738066 [0,1,0,1,0,0|2,0,0]=4 3381 B9R1.75 CCNC(=O)NC1CC1 2708a_100000212008_100015525214 [0,1,0,1,0,0|2,0,0]=4 3382 B9R1.75 CCNC(=O)NC1CC1 2708a_100015525214_100000212008 [0,1,0,1,0,0|2,0,0]=4 3383 B9R1.75 CCNC(=O)NC1CC1 273464a_100000212008_100015525214 [0,1,0,1,0,0|2,0,0]=4 3384 B9R1.75 CCNC(=O)NC1CC1 273464a_100015525214_100000212008 [0,1,0,1,0,0|2,0,0]=4 3385 B9R1.75 CCNC(=O)NC1CC1 512a_100000212008_100015525214 [0,1,0,1,0,0|2,0,0]=4 3386 B9R1.75 COCC(=O)CC1CS1 1458a_100000210968_100000031435 [0,1,0,1,0,0|2,0,0]=4 3387 B9R1.75 CSCC(=O)CC1CS1 1458a_100000184570_100000031435 [0,1,0,1,0,0|2,0,0]=4 3388 B9R1.75 O=C(CCF)CC1CC1 1458a_100000738066_100011217306 [0,1,0,1,0,0|2,0,0]=4 3389 B9R1.75 O=C(CCO)CC1CC1 1458a_100000738066_100000211926 [0,1,0,1,0,0|1,1,0]=4 3390 B9R1.75 O=C(CCO)CC1CC1 1458a_100011216618_100000742324 [0,1,0,1,0,0|1,1,0]=4 3391 B9R1.75 O=C(CCO)CC1CO1 1458a_100011216618_100011216344 [0,1,0,1,0,0|1,1,0]=4 3392 B9R1.75 O=C(CCO)CC1CS1 1458a_100011216618_100000031435 [0,1,0,1,0,0|1,1,0]=4 3393 B9R1.75 O=C(CCO)C[C@@H]1CO1 1458a_100011216618_100000745022 [0,1,0,1,0,0|1,1,0]=4 3394 B9R1.75 O=C(CCO)NC1CC1 240690a_100000212008_100011216618 [0,1,0,1,0,0|1,1,0]=4 3395 B9R1.100 C#CCCC(=O)C1CC1 1458a_100000210395_100000753159 [0,1,0,1,0,0|2,0,0]=4 3396 B9R1.100 C=CCCC(=O)C1CC1 1458a_100000210395_100000754431 [0,1,0,1,0,0|2,0,0]=4 3397 B9R1.100 CCCCC(=O)C1CC1 1458a_100000210395_100000210211 [0,1,0,1,0,0|2,0,0]=4 3398 B9R1.100 CCCCC(=O)C1CO1 1458a_100000701028_100000210211 [0,1,0,1,0,0|1,1,0]=4 3399 B9R1.100 CCCNC(=O)C1CC1 11a_100020643023_100000210395 [0,1,0,1,0,0|2,0,0]=4 3400 B9R1.100 CCCNC(=O)C1CC1 1626a_100020643023_100000210395 [0,1,0,1,0,0|2,0,0]=4 3401 B9R1.100 CCCNC(=O)C1CC1 240690a_100020643023_100000210395 [0,1,0,1,0,0|2,0,0]=4 3402 B9R1.100 CCCNC(=O)C1CC1 527a_100020643023_100000210395 [0,1,0,1,0,0|2,0,0]=4 3403 B9R1.100 CCCNC(=O)C1CO1 11a_100020643023_100000701028 [0,1,0,1,0,0|1,1,0]=4 3404 B9R1.100 CCCNC(=O)C1CO1 1626a_100020643023_100000701028 [0,1,0,1,0,0|1,1,0]=4 3405 B9R1.100 CCCNC(=O)C1CO1 240690a_100020643023_100000701028 [0,1,0,1,0,0|1,1,0]=4 3406 B9R1.100 CCCNC(=O)C1CO1 527a_100020643023_100000701028 [0,1,0,1,0,0|1,1,0]=4 3407 B9R1.100 CCNCC(=O)C1CC1 2230a_100015525214_100000746382 [0,1,0,1,0,0|2,0,0]=4 3408 B9R1.100 CCNNC(=O)C1CC1 22a_100000756455_100000210395 [0,1,0,1,0,0|2,0,0]=4 3409 B9R1.100 CCNNC(=O)C1CO1 22a_100000756455_100000701028 [0,1,0,1,0,0|1,1,0]=4 3410 B9R1.100 CCOCC(=O)C1CC1 34a_100000686663_100000210202 [0,1,0,1,0,0|1,0,0]=3 3411 B9R1.100 CCOCC(=O)C1CC1 34a_100121572206_100000746382 [0,1,0,1,0,0|1,0,0]=3 3412 B9R1.100 CCSCC(=O)C1CC1 62a_100000210202_100000746382 [0,1,0,1,0,0|1,1,0]=4 3413 B9R1.100 CCSCC(=O)C1CC1 62a_100000746382_100000210202 [0,1,0,1,0,0|1,1,0]=4 3414 B9R1.100 CNCOC(=O)C1CC1 2230a_106832991635_100000140896 [0,1,0,1,0,0|1,0,0]=3 3415 B9R1.100 CNCOC(=O)C1CC1 34a_100102657272_100000140896 [0,1,0,1,0,0|1,0,0]=3 3416 B9R1.100 COCCC(=O)C1CC1 1458a_100000210395_100000233755 [0,1,0,1,0,0|1,1,0]=4 3417 B9R1.100 COCCC(=O)C1CO1 1458a_100000701028_100000233755 [0,1,0,1,0,0|1,1,0]=4 3418 B9R1.100 COCOC(=O)C1CC1 34a_100138415774_100000140896 [0,1,0,1,0,0|1,0,0]=3 3419 B9R1.100 CSCCC(=O)C1CC1 1458a_100000210395_100000751147 [0,1,0,1,0,0|1,0,0]=3 3420 B9R1.100 CSCCC(=O)C1CO1 1458a_100000701028_100000751147 [0,1,0,1,0,0|1,1,0]=4 3421 B9R1.100 CSCOC(=O)C1CC1 62a_100000140896_200000210301 [0,1,0,1,0,0|1,0,0]=3 3422 B9R1.100 CSCOC(=O)C1CC1 62a_200000210301_100000140896 [0,1,0,1,0,0|1,0,0]=3 3423 B9R1.100 N#CCCC(=O)C1CC1 1458a_100000210395_100011215226 [0,1,0,1,0,0|2,0,0]=4 3424 B9R1.100 O=C(CCCF)C1CC1 1458a_100000210395_100011934791 [0,1,0,1,0,0|2,0,0]=4 3425 B9R1.100 O=C(CCCF)C1CO1 1458a_100000701028_100011934791 [0,1,0,1,0,0|1,1,0]=4 3426 B9R1.100 O=C(CCCO)C1CC1 1458a_100000210395_100011215043 [0,1,0,1,0,0|1,1,0]=4 3427 B9R1.100 O=C(CCCO)C1CO1 1458a_100000701028_100011215043 [0,1,0,1,0,0|1,1,0]=4 3428 B9R1.100 O=C(COCF)C1CC1 34a_100000686663_100015361967 [0,1,0,1,0,0|2,0,0]=4 3429 B9R1.100 O=C(CSCF)C1CC1 62a_100000746382_100015361967 [0,1,0,1,0,0|2,0,0]=4 3430 B9R1.100 O=C(CSCF)C1CC1 62a_100015361967_100000746382 [0,1,0,1,0,0|2,0,0]=4 3431 B9R1.100 O=C(NCCF)C1CC1 11a_100000724931_100000210395 [0,1,0,1,0,0|2,0,0]=4 3432 B9R1.100 O=C(NCCF)C1CC1 1626a_100000724931_100000210395 [0,1,0,1,0,0|2,0,0]=4 3433 B9R1.100 O=C(NCCF)C1CC1 240690a_100000724931_100000210395 [0,1,0,1,0,0|2,0,0]=4 3434 B9R1.100 O=C(NCCF)C1CC1 527a_100000724931_100000210395 [0,1,0,1,0,0|2,0,0]=4 3435 B9R1.100 O=C(NCCF)C1CO1 11a_100000724931_100000701028 [0,1,0,1,0,0|1,1,0]=4 3436 B9R1.100 O=C(NCCF)C1CO1 1626a_100000724931_100000701028 [0,1,0,1,0,0|1,1,0]=4 3437 B9R1.100 O=C(NCCF)C1CO1 240690a_100000724931_100000701028 [0,1,0,1,0,0|1,1,0]=4 3438 B9R1.100 O=C(NCCF)C1CO1 527a_100000724931_100000701028 [0,1,0,1,0,0|1,1,0]=4 3439 B9R1.100 O=C(NCCO)C1CC1 240690a_100000210304_100000210395 [0,1,0,1,0,0|1,1,0]=4 3440 B9R1.100 O=C(NCCO)C1CC1 527a_100000210304_100000210395 [0,1,0,1,0,0|1,1,0]=4 3441 B9R1.100 O=C(NCCO)C1CO1 240690a_100000210304_100000701028 [0,1,0,1,0,0|1,1,0]=4 3442 B9R1.100 O=C(NCCO)C1CO1 527a_100000210304_100000701028 [0,1,0,1,0,0|1,1,0]=4 3443 B9R1.100 [13CH3]SCOC(=O)C1CC1 62a_100000140896_200025704644 [0,1,0,1,0,0|1,0,0]=3 3444 B9R1.100 [13CH3]SCOC(=O)C1CC1 62a_200025704644_100000140896 [0,1,0,1,0,0|1,0,0]=3 3445 B9R1.183 CC1CC1C(=O)CCF 1458a_100000211227_100011217306 [0,1,0,1,0,0|2,0,0]=4 3446 B9R1.183 CC1CC1C(=O)CCO 1458a_100000211227_100000211926 [0,1,0,1,0,0|1,1,0]=4 3447 B9R1.183 CCCC(=O)C1CC1C 1458a_100000211227_100000210303 [0,1,0,1,0,0|2,0,0]=4 3448 B9R1.183 CCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210303 [0,1,0,1,0,0|2,0,0]=4 3449 B9R1.183 CCNC(=O)C1CC1C 11a_100015525214_100000211227 [0,1,0,1,0,0|2,0,0]=4 3450 B9R1.183 CCNC(=O)C1CC1C 527a_100015525214_100000211227 [0,1,0,1,0,0|2,0,0]=4 3451 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 11a_100015525214_100015396687 [0,1,0,1,0,0|2,0,0]=4 3452 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 240690a_100015525214_100015396687 [0,1,0,1,0,0|2,0,0]=4 3453 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 527a_100015525214_100015396687 [0,1,0,1,0,0|2,0,0]=4 3454 B9R1.183 O=C(CCF)[C@@H]1C[C@@H]1F 1458a_100015396687_100011217306 [0,1,0,1,0,0|2,0,0]=4 3455 B9R1.183 O=C(CCO)[C@@H]1C[C@@H]1F 1458a_100015396687_100000211926 [0,1,0,1,0,0|1,1,0]=4 3456 B9R1.74 CC1(CC1)C(=O)CCF 1458a_100000756474_100011217306 [0,1,0,1,0,0|2,0,0]=4 3457 B9R1.74 CC1(CC1)C(=O)CCO 1458a_100000756474_100000211926 [0,1,0,1,0,0|1,1,0]=4 3458 B9R1.74 CCCC(=O)C1(CC1)C 1458a_100000756474_100000210303 [0,1,0,1,0,0|2,0,0]=4 3459 B9R1.74 CCCC(=O)C1(CC1)F 1458a_100000055089_100000210303 [0,1,0,1,0,0|2,0,0]=4 3460 B9R1.74 CCCC(=O)C1(CC1)O 1458a_100000241761_100000210303 [0,1,0,1,0,0|2,0,0]=4 3461 B9R1.74 CCNC(=O)C1(CC1)C 11a_100015525214_100000756474 [0,1,0,1,0,0|2,0,0]=4 3462 B9R1.74 CCNC(=O)C1(CC1)C 240690a_100015525214_100000756474 [0,1,0,1,0,0|2,0,0]=4 3463 B9R1.74 CCNC(=O)C1(CC1)C 527a_100015525214_100000756474 [0,1,0,1,0,0|2,0,0]=4 3464 B9R1.74 CCNC(=O)C1(CC1)F 11a_100015525214_100000055089 [0,1,0,1,0,0|2,0,0]=4 3465 B9R1.74 CCNC(=O)C1(CC1)F 240690a_100015525214_100000055089 [0,1,0,1,0,0|2,0,0]=4 3466 B9R1.74 CCNC(=O)C1(CC1)F 527a_100015525214_100000055089 [0,1,0,1,0,0|2,0,0]=4 3467 B9R1.74 CCNC(=O)C1(CC1)O 240690a_100015525214_100000241761 [0,1,0,1,0,0|2,0,0]=4 3468 B9R1.74 O=C(CCF)C1(CC1)F 1458a_100000055089_100011217306 [0,1,0,1,0,0|2,0,0]=4 3469 B9R1.74 O=C(CCF)C1(CC1)O 1458a_100000241761_100011217306 [0,1,0,1,0,0|2,0,0]=4 3470 B9R1.74 O=C(CCO)C1(CC1)F 1458a_100000055089_100000211926 [0,1,0,1,0,0|1,1,0]=4 3471 B9R1.74 O=C(CCO)C1(CC1)O 1458a_100000241761_100000211926 [0,1,0,1,0,0|1,1,0]=4 3472 B9R1.101 CCC(C)C(=O)C1CC1 1458a_100000210395_100000758301 [0,1,0,1,0,0|2,0,0]=4 3473 B9R1.101 CCC(C)C(=O)C1CO1 1458a_100000701028_100000758301 [0,1,0,1,0,0|1,1,0]=4 3474 B9R1.101 CCN(C)C(=O)C1CC1 11a_100000225621_100000210395 [0,1,0,1,0,0|2,0,0]=4 3475 B9R1.101 CCN(C)C(=O)C1CC1 1626a_100000225621_100000210395 [0,1,0,1,0,0|2,0,0]=4 3476 B9R1.101 CCN(C)C(=O)C1CC1 240690a_100000225621_100000210395 [0,1,0,1,0,0|2,0,0]=4 3477 B9R1.101 CCN(C)C(=O)C1CC1 527a_100000225621_100000210395 [0,1,0,1,0,0|2,0,0]=4 3478 B9R1.101 CCN(C)C(=O)C1CO1 11a_100000225621_100000701028 [0,1,0,1,0,0|1,1,0]=4 3479 B9R1.101 CCN(C)C(=O)C1CO1 1626a_100000225621_100000701028 [0,1,0,1,0,0|1,1,0]=4 3480 B9R1.101 CCN(C)C(=O)C1CO1 240690a_100000225621_100000701028 [0,1,0,1,0,0|1,1,0]=4 3481 B9R1.101 CCN(C)C(=O)C1CO1 527a_100000225621_100000701028 [0,1,0,1,0,0|1,1,0]=4 3482 B9R1.13 CC(C)OC1CCSC1 7a_100011232664_100000210206 [0,1,0,1,0,0|1,0,1]=4 3483 B9R1.41 CC(=O)C1CCOC1=O 1458a_100000070787_100000211211 [0,1,0,1,0,0|0,1,1]=4 3484 B9R1.41 CN(C)C1CCOC1=O 2230a_100102631434_100000211211 [0,1,0,1,0,0|2,0,0]=4 3485 B9R1.41 CN(C)C1CCOC1=O 269982a_100102631434_100000211211 [0,1,0,1,0,0|2,0,0]=4 3486 B9R1.137 CC(C)CC(=O)C1CC1 1458a_100000210395_100000210624 [0,1,0,1,0,0|2,0,0]=4 3487 B9R1.137 CC(C)CC(=O)C1CO1 1458a_100000701028_100000210624 [0,1,0,1,0,0|1,1,0]=4 3488 B9R1.137 CC(C)NC(=O)C1CC1 11a_100138425928_100000210395 [0,1,0,1,0,0|2,0,0]=4 3489 B9R1.137 CC(C)NC(=O)C1CC1 1626a_100138425928_100000210395 [0,1,0,1,0,0|2,0,0]=4 3490 B9R1.137 CC(C)NC(=O)C1CC1 240690a_100138425928_100000210395 [0,1,0,1,0,0|2,0,0]=4 3491 B9R1.137 CC(C)NC(=O)C1CC1 527a_100138425928_100000210395 [0,1,0,1,0,0|2,0,0]=4 3492 B9R1.137 CC(C)NC(=O)C1CO1 11a_100138425928_100000701028 [0,1,0,1,0,0|1,1,0]=4 3493 B9R1.137 CC(C)NC(=O)C1CO1 1626a_100138425928_100000701028 [0,1,0,1,0,0|1,1,0]=4 3494 B9R1.137 CC(C)NC(=O)C1CO1 240690a_100138425928_100000701028 [0,1,0,1,0,0|1,1,0]=4 3495 B9R1.137 CC(C)NC(=O)C1CO1 527a_100138425928_100000701028 [0,1,0,1,0,0|1,1,0]=4 3496 B9R1.137 CC(O)CC(=O)C1CC1 1458a_100000210395_100011218427 [0,1,0,1,0,0|1,1,0]=4 3497 B9R1.137 CC(O)CC(=O)C1CO1 1458a_100000701028_100011218427 [0,1,0,1,0,0|1,1,0]=4 3498 B9R1.137 O=C(CC(F)F)C1CC1 1458a_100000210395_100011934356 [0,1,0,1,0,0|2,0,0]=4