0 B7R0.7 C#CCC(=O)C=CBr 1458a_100016273825_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|1,0,2]=3 2 B7R0.7 C#CCC(=O)C=CCl 1458a_200016279998_100000184674 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.7 C#CCC(=O)C=CI 1458a_100016256311_100000184674 [0,0,0,0,0,0|2,0,2]=4 4 B7R0.7 C#CCC(=O)CCC 1458a_100000211992_100000184674 [0,0,0,0,0,0|1,0,3]=4 5 B7R0.7 C#CCC(=O)CCC 1458a_100011220946_100000210303 [0,0,0,0,0,0|1,0,3]=4 6 B7R0.7 C#CCC(=O)NCC 527a_100015525214_100011220946 [0,0,0,0,0,0|1,0,3]=4 7 B7R0.7 C/C=C/C(C)OCC 34a_200102604097_100000210202 [0,0,0,0,0,0|1,0,1]=2 8 B7R0.7 C/C=C/C(C)OCF 34a_200102604097_100015361967 [0,0,0,0,0,0|2,0,1]=3 9 B7R0.7 C=CCC(=O)C#CC 1458a_100000763181_100000210623 [0,0,0,0,0,0|1,0,3]=4 10 B7R0.7 C=CCC(=O)C=CBr 1458a_100016273825_100000210623 [0,0,0,0,0,0|2,0,2]=4 11 B7R0.7 C=CCC(=O)C=CC 1458a_100000210699_100000210623 [0,0,0,0,0,0|1,0,2]=3 12 B7R0.7 C=CCC(=O)C=CCl 1458a_200016279998_100000210623 [0,0,0,0,0,0|2,0,2]=4 13 B7R0.7 C=CCC(=O)C=CI 1458a_100016256311_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|1,0,2]=3 15 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [0,0,0,0,0,0|1,0,2]=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|2,0,2]=4 18 B7R0.7 C=CCC(=O)CCO 1458a_100011216618_100000210623 [0,0,0,0,0,0|2,0,2]=4 19 B7R0.7 C=CCC(=O)COC 1458a_100000210968_100000210623 [0,0,0,0,0,0|2,0,2]=4 20 B7R0.7 C=CCC(=O)CSC 1458a_100000184570_100000210623 [0,0,0,0,0,0|2,0,2]=4 21 B7R0.7 C=CCC(=O)NCC 11a_100015525214_100000210193 [0,0,0,0,0,0|1,0,2]=3 22 B7R0.7 C=CCC(=O)NCC 240690a_100015525214_100000210193 [0,0,0,0,0,0|1,0,2]=3 23 B7R0.7 C=CCC(=O)NCC 527a_100015525214_100000210193 [0,0,0,0,0,0|1,0,2]=3 24 B7R0.7 C=CCC(=O)NNC 22a_100016993582_100000210193 [0,0,0,0,0,0|2,0,2]=4 25 B7R0.7 C=CC[C@@H](C)OCC 34a_100000731007_100000210202 [0,0,0,0,0,0|1,0,3]=4 26 B7R0.7 C=CC[C@@H](C)OCC 7a_100000731007_100000210202 [0,0,0,0,0,0|1,0,3]=4 27 B7R0.7 C=COC(=O)CNC 2230a_106832991635_100000036128 [0,0,0,0,0,0|1,0,3]=4 28 B7R0.7 C=COC(=O)CNC 34a_100102657272_100000036128 [0,0,0,0,0,0|1,0,3]=4 29 B7R0.7 C=COC(=O)COC 34a_100138415774_100000036128 [0,0,0,0,0,0|1,0,3]=4 30 B7R0.7 C=COC(=O)CSC 62a_100000036128_200000210301 [0,0,0,0,0,0|1,0,3]=4 31 B7R0.7 C=COC(=O)CSC 62a_200000210301_100000036128 [0,0,0,0,0,0|1,0,3]=4 32 B7R0.7 C=COC(=O)CS[13CH3] 62a_100000036128_200025704644 [0,0,0,0,0,0|1,0,3]=4 33 B7R0.7 C=COC(=O)CS[13CH3] 62a_200025704644_100000036128 [0,0,0,0,0,0|1,0,3]=4 34 B7R0.7 CC#CC(=O)CCC 1458a_100000763181_100000210303 [0,0,0,0,0,0|1,0,2]=3 35 B7R0.7 CC#CC(=O)CCF 1458a_100000763181_100011217306 [0,0,0,0,0,0|2,0,2]=4 36 B7R0.7 CC#CC(=O)CCO 1458a_100000763181_100000211926 [0,0,0,0,0,0|2,0,2]=4 37 B7R0.7 CC#CC(=O)NNC 22a_100016993582_100000763181 [0,0,0,0,0,0|2,0,2]=4 38 B7R0.7 CC#CC(C)OCC 34a_100011216543_100000210202 [0,0,0,0,0,0|1,0,3]=4 39 B7R0.7 CC=CC(=O)CC#N 1458a_100000210699_100011214920 [0,0,0,0,0,0|2,0,1]=3 40 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [0,0,0,0,0,0|1,0,0]=1 41 B7R0.7 CC=CC(=O)CCF 1458a_100000210699_100011217306 [0,0,0,0,0,0|2,0,0]=2 42 B7R0.7 CC=CC(=O)CCO 1458a_100000210699_100000211926 [0,0,0,0,0,0|2,0,0]=2 43 B7R0.7 CC=CC(=O)NCC 11a_100015525214_100000210699 [0,0,0,0,0,0|1,0,0]=1 44 B7R0.7 CC=CC(=O)NCC 240690a_100015525214_100000210699 [0,0,0,0,0,0|1,0,0]=1 45 B7R0.7 CC=CC(=O)NNC 22a_100016993582_100000210699 [0,0,0,0,0,0|2,0,0]=2 46 B7R0.7 CCCC(=O)C=CBr 1458a_100016273825_100000210303 [0,0,0,0,0,0|2,0,0]=2 47 B7R0.7 CCCC(=O)C=CCl 1458a_200016279998_100000210303 [0,0,0,0,0,0|2,0,0]=2 48 B7R0.7 CCCC(=O)C=CI 1458a_100016256311_100000210303 [0,0,0,0,0,0|2,0,0]=2 49 B7R0.7 CCCC(=O)CC#N 1458a_100000211992_100011214920 [0,0,0,0,0,0|2,0,2]=4 50 B7R0.7 CCCC(=O)CC#N 1458a_100051588842_100000210303 [0,0,0,0,0,0|2,0,2]=4 51 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [0,0,0,0,0,0|1,0,2]=3 52 B7R0.7 CCCC(=O)CCF 1458a_100000211992_100011217306 [0,0,0,0,0,0|2,0,2]=4 53 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [0,0,0,0,0,0|2,0,2]=4 54 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [0,0,0,0,0,0|2,0,2]=4 55 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [0,0,0,0,0,0|2,0,1]=3 56 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [0,0,0,0,0,0|2,0,1]=3 57 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [0,0,0,0,0,0|2,0,1]=3 58 B7R0.7 CCCC(=O)CSC 1458a_100000184570_100000210303 [0,0,0,0,0,0|2,0,1]=3 59 B7R0.7 CCCC(=O)CSC 62a_100000747444_200000210301 [0,0,0,0,0,0|2,0,1]=3 60 B7R0.7 CCCC(=O)CSC 62a_200000210301_100000747444 [0,0,0,0,0,0|2,0,1]=3 61 B7R0.7 CCCC(=O)CS[13CH3] 62a_100000747444_200025704644 [0,0,0,0,0,0|2,0,1]=3 62 B7R0.7 CCCC(=O)CS[13CH3] 62a_200025704644_100000747444 [0,0,0,0,0,0|2,0,1]=3 63 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [0,0,0,0,0,0|1,0,2]=3 64 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [0,0,0,0,0,0|1,0,2]=3 65 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [0,0,0,0,0,0|1,0,2]=3 66 B7R0.7 CCCC(=O)NNC 22a_100016993582_100000211992 [0,0,0,0,0,0|3,0,0]=3 67 B7R0.7 CCCC(C)OCC 34a_100000764384_100000210202 [0,0,0,0,0,0|1,0,3]=4 68 B7R0.7 CCCC(C)OCC 34a_100121572206_100000766640 [0,0,0,0,0,0|1,0,3]=4 69 B7R0.7 CCCC(C)OCC 7a_100000764384_100000210202 [0,0,0,0,0,0|1,0,3]=4 70 B7R0.7 CCNC(=O)C=CBr 240690a_100015525214_100016273825 [0,0,0,0,0,0|2,0,0]=2 71 B7R0.7 CCNC(=O)C=CCl 11a_100015525214_200016279998 [0,0,0,0,0,0|2,0,0]=2 72 B7R0.7 CCNC(=O)C=CCl 240690a_100015525214_200016279998 [0,0,0,0,0,0|2,0,0]=2 73 B7R0.7 CCNC(=O)CC#N 240690a_100015525214_100051588842 [0,0,0,0,0,0|2,0,2]=4 74 B7R0.7 CCNC(=O)CCO 240690a_100015525214_100011216618 [0,0,0,0,0,0|2,0,2]=4 75 B7R0.7 CCNC(=O)CNC 2230a_100016988866_200000210301 [0,0,0,0,0,0|2,0,1]=3 76 B7R0.7 CCNC(=O)CNC 2230a_106832991635_100000183381 [0,0,0,0,0,0|2,0,1]=3 77 B7R0.7 CCNC(=O)CNC 34a_100102657272_100000183381 [0,0,0,0,0,0|2,0,1]=3 78 B7R0.7 CCNC(=O)CNC 7a_106832991635_100000183381 [0,0,0,0,0,0|2,0,1]=3 79 B7R0.7 CCNC(=O)CN[13CH3] 2230a_100016988866_200025704644 [0,0,0,0,0,0|2,0,1]=3 80 B7R0.7 CCNC(=O)COC 11a_100015525214_100000210968 [0,0,0,0,0,0|2,0,1]=3 81 B7R0.7 CCNC(=O)COC 240690a_100015525214_100000210968 [0,0,0,0,0,0|2,0,1]=3 82 B7R0.7 CCNC(=O)COC 34a_100138415774_100000183381 [0,0,0,0,0,0|2,0,1]=3 83 B7R0.7 CCNC(=O)COC 527a_100015525214_100000210968 [0,0,0,0,0,0|2,0,1]=3 84 B7R0.7 CCNC(=O)CSC 11a_100015525214_100000184570 [0,0,0,0,0,0|2,0,1]=3 85 B7R0.7 CCNC(=O)CSC 240690a_100015525214_100000184570 [0,0,0,0,0,0|2,0,1]=3 86 B7R0.7 CCNC(=O)CSC 527a_100015525214_100000184570 [0,0,0,0,0,0|2,0,1]=3 87 B7R0.7 CCNC(=O)CSC 62a_100000183381_200000210301 [0,0,0,0,0,0|2,0,1]=3 88 B7R0.7 CCNC(=O)CSC 62a_200000210301_100000183381 [0,0,0,0,0,0|2,0,1]=3 89 B7R0.7 CCNC(=O)CS[13CH3] 62a_100000183381_200025704644 [0,0,0,0,0,0|2,0,1]=3 90 B7R0.7 CCNC(=O)CS[13CH3] 62a_200025704644_100000183381 [0,0,0,0,0,0|2,0,1]=3 91 B7R0.7 CCNC(=O)NCC 2708a_100015525214_100015525214 [0,0,0,0,0,0|2,0,1]=3 92 B7R0.7 CCNC(=O)NCC 273464a_100015525214_100015525214 [0,0,0,0,0,0|2,0,1]=3 93 B7R0.7 CCNC(=O)NCC 512a_100015525214_100015525214 [0,0,0,0,0,0|2,0,1]=3 94 B7R0.7 CCNC(=O)NNC 273464a_100015525214_100016993582 [0,0,0,0,0,0|3,0,0]=3 95 B7R0.7 CCNC(=O)NNC 512a_100015525214_100016993582 [0,0,0,0,0,0|3,0,0]=3 96 B7R0.7 CCNC(=O)NNC 512a_100016993582_100015525214 [0,0,0,0,0,0|3,0,0]=3 97 B7R0.7 CCOC(=O)CNC 2230a_106832991635_100000188475 [0,0,0,0,0,0|1,0,1]=2 98 B7R0.7 CCOC(=O)CNC 34a_100102657272_100000188475 [0,0,0,0,0,0|1,0,1]=2 99 B7R0.7 CCOC(=O)CNC 7a_106832991635_100000188475 [0,0,0,0,0,0|1,0,1]=2 100 B7R0.7 CCOC(=O)COC 34a_100138415774_100000188475 [0,0,0,0,0,0|1,0,1]=2 101 B7R0.7 CCOC(=O)CSC 62a_100000188475_200000210301 [0,0,0,0,0,0|1,0,1]=2 102 B7R0.7 CCOC(=O)CSC 62a_200000210301_100000188475 [0,0,0,0,0,0|1,0,1]=2 103 B7R0.7 CCOC(=O)CS[13CH3] 62a_100000188475_200025704644 [0,0,0,0,0,0|1,0,1]=2 104 B7R0.7 CCOC(=O)CS[13CH3] 62a_200025704644_100000188475 [0,0,0,0,0,0|1,0,1]=2 105 B7R0.7 CCOC(C)COC 34a_100121572206_100000765312 [0,0,0,0,0,0|2,0,2]=4 106 B7R0.7 CCO[C@H](C)COC 34a_100011934205_100000210202 [0,0,0,0,0,0|2,0,2]=4 107 B7R0.7 CNCC(=O)NCO 2230a_106832991635_100000185155 [0,0,0,0,0,0|3,0,1]=4 108 B7R0.7 CNCC(=O)NCO 34a_100102657272_100000185155 [0,0,0,0,0,0|3,0,1]=4 109 B7R0.7 CNCC(=O)NCO 7a_106832991635_100000185155 [0,0,0,0,0,0|3,0,1]=4 110 B7R0.7 CNNC(=O)CCO 22a_100016993582_100011216618 [0,0,0,0,0,0|4,0,0]=4 111 B7R0.7 CNNC(=O)COC 22a_100016993582_100000210968 [0,0,0,0,0,0|3,0,1]=4 112 B7R0.7 CNNC(=O)CSC 22a_100016993582_100000184570 [0,0,0,0,0,0|3,0,1]=4 113 B7R0.7 CNNC(=O)NNC 512a_100016993582_100016993582 [0,0,0,0,0,0|4,0,0]=4 114 B7R0.7 COCC(=O)CCF 1458a_100000210968_100011217306 [0,0,0,0,0,0|3,0,1]=4 115 B7R0.7 COCC(=O)CCO 1458a_100000210968_100000211926 [0,0,0,0,0,0|3,0,1]=4 116 B7R0.7 COCC(=O)NCO 34a_100138415774_100000185155 [0,0,0,0,0,0|3,0,1]=4 117 B7R0.7 CSCC(=O)CCF 1458a_100000184570_100011217306 [0,0,0,0,0,0|3,0,1]=4 118 B7R0.7 CSCC(=O)CCO 1458a_100000184570_100000211926 [0,0,0,0,0,0|3,0,1]=4 119 B7R0.7 CSCC(=O)NCO 62a_100000185155_200000210301 [0,0,0,0,0,0|3,0,1]=4 120 B7R0.7 CSCC(=O)NCO 62a_200000210301_100000185155 [0,0,0,0,0,0|3,0,1]=4 121 B7R0.7 N#CCC(=O)C=CBr 1458a_100016273825_100011214920 [0,0,0,0,0,0|3,0,1]=4 122 B7R0.7 N#CCC(=O)C=CCl 1458a_200016279998_100011214920 [0,0,0,0,0,0|3,0,1]=4 123 B7R0.7 N#CCC(=O)C=CI 1458a_100016256311_100011214920 [0,0,0,0,0,0|3,0,1]=4 124 B7R0.7 O=C(C=CBr)CCF 1458a_100016273825_100011217306 [0,0,0,0,0,0|3,0,0]=3 125 B7R0.7 O=C(C=CBr)CCO 1458a_100016273825_100000211926 [0,0,0,0,0,0|3,0,0]=3 126 B7R0.7 O=C(C=CCl)CCF 1458a_200016279998_100011217306 [0,0,0,0,0,0|3,0,0]=3 127 B7R0.7 O=C(C=CCl)CCO 1458a_200016279998_100000211926 [0,0,0,0,0,0|3,0,0]=3 128 B7R0.7 O=C(C=CI)CCF 1458a_100016256311_100011217306 [0,0,0,0,0,0|3,0,0]=3 129 B7R0.7 O=C(C=CI)CCO 1458a_100016256311_100000211926 [0,0,0,0,0,0|3,0,0]=3 130 B7R0.7 [13CH3]SCC(=O)NCO 62a_100000185155_200025704644 [0,0,0,0,0,0|3,0,1]=4 131 B7R0.7 [13CH3]SCC(=O)NCO 62a_200025704644_100000185155 [0,0,0,0,0,0|3,0,1]=4 132 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [1,0,0,0,0,0|1,0,2]=4 133 B6R0.1 C#CCC(=O)C=C 1458a_100000185746_100000184674 [1,0,0,0,0,0|1,0,2]=4 134 B6R0.1 C#CCC(=O)CC 1458a_100000210414_100000184674 [1,0,0,0,0,0|0,0,3]=4 135 B6R0.1 C#CCC(=O)CC 1458a_100011220946_100000210202 [1,0,0,0,0,0|0,0,3]=4 136 B6R0.1 C/C=C/C(C)OC 34a_200102604097_200000210301 [1,0,0,0,0,0|1,0,1]=3 137 B6R0.1 C/C=C/C(C)O[13CH3] 34a_200102604097_200025704644 [1,0,0,0,0,0|1,0,1]=3 138 B6R0.1 C=CC(=O)CC#N 1458a_100000185746_100011214920 [1,0,0,0,0,0|2,0,1]=4 139 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [1,0,0,0,0,0|1,0,0]=2 140 B6R0.1 C=CC(=O)CCF 1458a_100000185746_100011217306 [1,0,0,0,0,0|2,0,0]=3 141 B6R0.1 C=CC(=O)CCO 1458a_100000185746_100000211926 [1,0,0,0,0,0|2,0,0]=3 142 B6R0.1 C=CC(=O)NCC 240690a_100015525214_200121576911 [1,0,0,0,0,0|1,0,0]=2 143 B6R0.1 C=CC(=O)NNC 22a_100016993582_100000185746 [1,0,0,0,0,0|2,0,0]=3 144 B6R0.1 C=CC(C)OCC 34a_100000695699_100000210202 [1,0,0,0,0,0|1,0,1]=3 145 B6R0.1 C=CC(C)OCF 34a_100000695699_100015361967 [1,0,0,0,0,0|2,0,1]=4 146 B6R0.1 C=CC(C)SCC 62a_100011215867_100000210202 [1,0,0,0,0,0|1,1,1]=4 147 B6R0.1 C=CCC(=O)C=C 1458a_100000185746_100000210623 [1,0,0,0,0,0|1,0,2]=4 148 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [1,0,0,0,0,0|0,0,2]=3 149 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [1,0,0,0,0,0|0,0,2]=3 150 B6R0.1 C=CCC(=O)CF 1458a_100000210193_100015361967 [1,0,0,0,0,0|1,0,2]=4 151 B6R0.1 C=CCC(=O)CO 1458a_100000210174_100000210623 [1,0,0,0,0,0|1,0,2]=4 152 B6R0.1 C=CCC(=O)NC 11a_106832991635_100000210193 [1,0,0,0,0,0|1,0,2]=4 153 B6R0.1 C=CCC(=O)NC 1626a_100102657272_100000210193 [1,0,0,0,0,0|1,0,2]=4 154 B6R0.1 C=CCC(=O)NC 240690a_100102657272_100000210193 [1,0,0,0,0,0|1,0,2]=4 155 B6R0.1 C=CCC(=O)NC 527a_100102657272_100000210193 [1,0,0,0,0,0|1,0,2]=4 156 B6R0.1 CC#CC(=O)CC 1458a_100000763181_100000210202 [1,0,0,0,0,0|0,0,2]=3 157 B6R0.1 CC#CC(=O)CF 1458a_100000763181_100015361967 [1,0,0,0,0,0|1,0,2]=4 158 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [1,0,0,0,0,0|0,0,0]=1 159 B6R0.1 CC=CC(=O)CF 1458a_100000210699_100015361967 [1,0,0,0,0,0|1,0,0]=2 160 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [1,0,0,0,0,0|1,0,0]=2 161 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [1,0,0,0,0,0|1,0,0]=2 162 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [1,0,0,0,0,0|1,0,0]=2 163 B6R0.1 CCC(=O)C=CBr 1458a_100016273825_100000210202 [1,0,0,0,0,0|1,0,0]=2 164 B6R0.1 CCC(=O)C=CCl 1458a_200016279998_100000210202 [1,0,0,0,0,0|1,0,0]=2 165 B6R0.1 CCC(=O)C=CI 1458a_100016256311_100000210202 [1,0,0,0,0,0|1,0,0]=2 166 B6R0.1 CCC(=O)CC#N 1458a_100000210414_100011214920 [1,0,0,0,0,0|1,0,2]=4 167 B6R0.1 CCC(=O)CC#N 1458a_100051588842_100000210202 [1,0,0,0,0,0|1,0,2]=4 168 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [1,0,0,0,0,0|1,0,2]=4 169 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [1,0,0,0,0,0|1,0,2]=4 170 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [1,0,0,0,0,0|1,0,2]=4 171 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [1,0,0,0,0,0|1,0,1]=3 172 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [1,0,0,0,0,0|1,0,1]=3 173 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [1,0,0,0,0,0|1,0,1]=3 174 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [1,0,0,0,0,0|1,0,1]=3 175 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [1,0,0,0,0,0|1,0,1]=3 176 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [1,0,0,0,0,0|1,0,1]=3 177 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [1,0,0,0,0,0|1,0,1]=3 178 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [1,0,0,0,0,0|1,0,1]=3 179 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [1,0,0,0,0,0|1,0,1]=3 180 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [1,0,0,0,0,0|2,0,0]=3 181 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [1,0,0,0,0,0|0,0,2]=3 182 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [1,0,0,0,0,0|0,0,2]=3 183 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [1,0,0,0,0,0|1,0,2]=4 184 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [1,0,0,0,0,0|1,0,2]=4 185 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [1,0,0,0,0,0|2,0,0]=3 186 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [1,0,0,0,0,0|2,0,0]=3 187 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [1,0,0,0,0,0|2,0,0]=3 188 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [1,0,0,0,0,0|2,0,0]=3 189 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [1,0,0,0,0,0|1,0,1]=3 190 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [1,0,0,0,0,0|1,0,1]=3 191 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [1,0,0,0,0,0|1,0,1]=3 192 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [1,0,0,0,0,0|2,0,1]=4 193 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [1,0,0,0,0,0|2,0,1]=4 194 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [1,0,0,0,0,0|2,0,0]=3 195 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [1,0,0,0,0,0|2,0,0]=3 196 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [1,0,0,0,0,0|2,0,0]=3 197 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [1,0,0,0,0,0|2,0,0]=3 198 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [1,0,0,0,0,0|2,0,0]=3 199 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [1,0,0,0,0,0|2,0,0]=3 200 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [1,0,0,0,0,0|1,0,2]=4 201 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [1,0,0,0,0,0|1,0,2]=4 202 B6R0.1 CNC(=O)C=CBr 1626a_100102657272_100016273825 [1,0,0,0,0,0|2,0,0]=3 203 B6R0.1 CNC(=O)C=CBr 240690a_100102657272_100016273825 [1,0,0,0,0,0|2,0,0]=3 204 B6R0.1 CNC(=O)C=CCl 11a_106832991635_200016279998 [1,0,0,0,0,0|2,0,0]=3 205 B6R0.1 CNC(=O)C=CCl 1626a_100102657272_200016279998 [1,0,0,0,0,0|2,0,0]=3 206 B6R0.1 CNC(=O)C=CCl 240690a_100102657272_200016279998 [1,0,0,0,0,0|2,0,0]=3 207 B6R0.1 CNC(=O)C=CI 1626a_100102657272_100016256311 [1,0,0,0,0,0|2,0,0]=3 208 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [1,0,0,0,0,0|3,0,0]=4 209 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [1,0,0,0,0,0|2,0,1]=4 210 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [1,0,0,0,0,0|2,0,1]=4 211 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [1,0,0,0,0,0|2,0,1]=4 212 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [1,0,0,0,0,0|2,0,1]=4 213 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [1,0,0,0,0,0|2,0,1]=4 214 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [1,0,0,0,0,0|2,0,1]=4 215 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [1,0,0,0,0,0|2,0,1]=4 216 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [1,0,0,0,0,0|2,0,1]=4 217 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [1,0,0,0,0,0|2,0,1]=4 218 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [1,0,0,0,0,0|2,0,1]=4 219 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [1,0,0,0,0,0|2,0,1]=4 220 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [1,0,0,0,0,0|2,0,1]=4 221 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [1,0,0,0,0,0|2,0,1]=4 222 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [1,0,0,0,0,0|2,0,1]=4 223 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [1,0,0,0,0,0|2,0,1]=4 224 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [1,0,0,0,0,0|2,0,1]=4 225 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [1,0,0,0,0,0|2,0,1]=4 226 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [1,0,0,0,0,0|2,0,1]=4 227 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [1,0,0,0,0,0|2,0,1]=4 228 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [1,0,0,0,0,0|2,0,1]=4 229 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [1,0,0,0,0,0|1,0,1]=3 230 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [1,0,0,0,0,0|1,0,1]=3 231 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [1,0,0,0,0,0|1,0,1]=3 232 B6R0.1 CNNC(=O)CO 22a_100016993582_100000210174 [1,0,0,0,0,0|3,0,0]=4 233 B6R0.1 CNNC(=O)NC 273464a_100102657272_100016993582 [1,0,0,0,0,0|3,0,0]=4 234 B6R0.1 CNNC(=O)NC 512a_100016993582_100102657272 [1,0,0,0,0,0|3,0,0]=4 235 B6R0.1 CNNC(=O)NC 512a_106832991638_100016993582 [1,0,0,0,0,0|3,0,0]=4 236 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [1,0,0,0,0,0|1,0,1]=3 237 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [1,0,0,0,0,0|1,0,1]=3 238 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [1,0,0,0,0,0|1,0,1]=3 239 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [1,0,0,0,0,0|1,0,1]=3 240 B6R0.1 COCC(=O)CF 1458a_100000210968_100015361967 [1,0,0,0,0,0|2,0,1]=4 241 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [1,0,0,0,0,0|1,0,1]=3 242 B6R0.1 CSCC(=O)CF 1458a_100000184570_100015361967 [1,0,0,0,0,0|2,0,1]=4 243 B6R0.1 O=C(C=CBr)CF 1458a_100016273825_100015361967 [1,0,0,0,0,0|2,0,0]=3 244 B6R0.1 O=C(C=CCl)CF 1458a_200016279998_100015361967 [1,0,0,0,0,0|2,0,0]=3 245 B6R0.1 O=C(C=CI)CF 1458a_100016256311_100015361967 [1,0,0,0,0,0|2,0,0]=3 246 B6R0.6 C/C=C/CCOC 34a_100016278192_200000210301 [1,0,0,0,0,0|2,0,1]=4 247 B6R0.6 C/C=C/CCO[13CH3] 34a_100016278192_200025704644 [1,0,0,0,0,0|2,0,1]=4 248 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [1,0,0,0,0,0|0,0,1]=2 249 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [1,0,0,0,0,0|0,0,1]=2 250 B6R0.6 C/C=C/COCF 34a_100016270725_100015361967 [1,0,0,0,0,0|1,0,1]=3 251 B6R0.6 C/C=C/CSCC 62a_100000210202_100102629194 [1,0,0,0,0,0|0,1,1]=3 252 B6R0.6 C/C=C/CSCC 62a_100102629194_100000210202 [1,0,0,0,0,0|0,1,1]=3 253 B6R0.6 C/C=C/CSCF 62a_100015361967_100102629194 [1,0,0,0,0,0|1,1,1]=4 254 B6R0.6 C/C=C/CSCF 62a_100102629194_100015361967 [1,0,0,0,0,0|1,1,1]=4 255 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [1,0,0,0,0,0|0,0,3]=4 256 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [1,0,0,0,0,0|0,0,3]=4 257 B6R0.6 CC#CCOCC 34a_100000761923_100000210202 [1,0,0,0,0,0|0,0,3]=4 258 B6R0.6 CC#CCOCC 34a_100121572206_100000748600 [1,0,0,0,0,0|0,0,3]=4 259 B6R0.6 CC/C=C\CNC 2230a_106832991635_100103147603 [1,0,0,0,0,0|2,0,1]=4 260 B6R0.6 CC/C=C\CNC 34a_100102657272_100103147603 [1,0,0,0,0,0|2,0,1]=4 261 B6R0.6 CC/C=C\CNC 7a_106832991635_100103147603 [1,0,0,0,0,0|2,0,1]=4 262 B6R0.6 CC/C=C\COC 34a_100016268518_200000210301 [1,0,0,0,0,0|2,0,1]=4 263 B6R0.6 CC/C=C\COC 34a_100138415774_100103147603 [1,0,0,0,0,0|2,0,1]=4 264 B6R0.6 CC/C=C\CO[13CH3] 34a_100016268518_200025704644 [1,0,0,0,0,0|2,0,1]=4 265 B6R0.6 CC/C=C\CSC 62a_100103147603_200000210301 [1,0,0,0,0,0|2,0,1]=4 266 B6R0.6 CC/C=C\CSC 62a_200000210301_100103147603 [1,0,0,0,0,0|2,0,1]=4 267 B6R0.6 CC/C=C\CS[13CH3] 62a_100103147603_200025704644 [1,0,0,0,0,0|2,0,1]=4 268 B6R0.6 CC/C=C\CS[13CH3] 62a_200025704644_100103147603 [1,0,0,0,0,0|2,0,1]=4 269 B6R0.6 CC=CCNCC 2230a_100015525214_100000070051 [1,0,0,0,0,0|1,0,1]=3 270 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [1,0,0,0,0,0|0,0,1]=2 271 B6R0.6 CC=CCSCC 62a_100000070051_100000210202 [1,0,0,0,0,0|0,1,1]=3 272 B6R0.6 CC=CCSCC 62a_100000210202_100000070051 [1,0,0,0,0,0|0,1,1]=3 273 B6R0.6 CC=CCSCF 62a_100000070051_100015361967 [1,0,0,0,0,0|1,1,1]=4 274 B6R0.6 CC=CCSCF 62a_100015361967_100000070051 [1,0,0,0,0,0|1,1,1]=4 275 B6R0.6 CC=NNCCC 4a_100000740057_200000210099 [1,0,0,0,0,0|3,0,0]=4 276 B6R0.6 CCC=NNCC 4a_100000756455_100000210100 [1,0,0,0,0,0|2,0,1]=4 277 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [1,0,0,0,0,0|0,0,3]=4 278 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [1,0,0,0,0,0|0,0,3]=4 279 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [1,0,0,0,0,0|0,0,3]=4 280 B6R0.6 CCOCCNC 2230a_102516460346_200000210301 [1,0,0,0,0,0|1,0,2]=4 281 B6R0.6 CCOCCNC 2230a_106832991635_100011215890 [1,0,0,0,0,0|1,0,2]=4 282 B6R0.6 CCOCCNC 34a_100102657272_100000210147 [1,0,0,0,0,0|1,0,2]=4 283 B6R0.6 CCOCCNC 34a_102516460346_200000210301 [1,0,0,0,0,0|1,0,2]=4 284 B6R0.6 CCOCCNC 7a_106832991635_100011215890 [1,0,0,0,0,0|1,0,2]=4 285 B6R0.6 CCOCCN[13CH3] 2230a_102516460346_200025704644 [1,0,0,0,0,0|1,0,2]=4 286 B6R0.6 CCOCCN[13CH3] 34a_102516460346_200025704644 [1,0,0,0,0,0|1,0,2]=4 287 B6R0.6 CCOCCOC 34a_100000210136_200000210301 [1,0,0,0,0,0|1,0,2]=4 288 B6R0.6 CCOCCOC 34a_100000210237_100000210202 [1,0,0,0,0,0|1,0,2]=4 289 B6R0.6 CCOCCOC 34a_100121572206_100011201679 [1,0,0,0,0,0|1,0,2]=4 290 B6R0.6 CCOCCOC 34a_100138415774_100000210147 [1,0,0,0,0,0|1,0,2]=4 291 B6R0.6 CCOCCOC 7a_100000210136_200000210301 [1,0,0,0,0,0|1,0,2]=4 292 B6R0.6 CCOCCO[13CH3] 34a_100000210136_200025704644 [1,0,0,0,0,0|1,0,2]=4 293 B6R0.6 CCOCCO[13CH3] 7a_100000210136_200025704644 [1,0,0,0,0,0|1,0,2]=4 294 B6R0.6 CCOCCSC 34a_100000230434_100000210202 [1,0,0,0,0,0|1,0,2]=4 295 B6R0.6 CCOCCSC 34a_100121572206_100000212216 [1,0,0,0,0,0|1,0,2]=4 296 B6R0.6 CCOCCSC 62a_100000210147_200000210301 [1,0,0,0,0,0|1,0,2]=4 297 B6R0.6 CCOCCSC 62a_200000210301_100011215890 [1,0,0,0,0,0|1,0,2]=4 298 B6R0.6 CCOCCSC 7a_100000230434_100000210202 [1,0,0,0,0,0|1,0,2]=4 299 B6R0.6 CCOCCS[13CH3] 62a_100000210147_200025704644 [1,0,0,0,0,0|1,0,2]=4 300 B6R0.6 CCOCCS[13CH3] 62a_200025704644_100011215890 [1,0,0,0,0,0|1,0,2]=4 301 B6R0.6 CCOCSCC 62a_100000210202_100000739092 [1,0,0,0,0,0|1,0,2]=4 302 B6R0.6 CCOCSCC 62a_100000739092_100000210202 [1,0,0,0,0,0|1,0,2]=4 303 B8R0.1 C#CCC(=O)C/C=C/C 1458a_100011220946_100102629194 [0,1,0,0,0,0|1,0,2]=4 304 B8R0.1 C#CCC(=O)C=CCC 1458a_100000212282_100000184674 [0,1,0,0,0,0|1,0,2]=4 305 B8R0.1 C#CCC(=O)C=COC 1458a_100016268678_100000184674 [0,1,0,0,0,0|1,0,2]=4 306 B8R0.1 C#CCC(=O)CC=CC 1458a_100011220946_100000070051 [0,1,0,0,0,0|1,0,2]=4 307 B8R0.1 C#CCC(=O)CC=CC 1458a_100121576822_100000184674 [0,1,0,0,0,0|1,0,2]=4 308 B8R0.1 C#CCC(=O)COCC 1458a_100000211967_100000184674 [0,1,0,0,0,0|0,0,3]=4 309 B8R0.1 C#CCCC(=O)C=CBr 1458a_100016273825_100000753159 [0,1,0,0,0,0|2,0,1]=4 310 B8R0.1 C#CCCC(=O)C=CC 1458a_100000210699_100000753159 [0,1,0,0,0,0|1,0,1]=3 311 B8R0.1 C#CCCC(=O)C=CCl 1458a_200016279998_100000753159 [0,1,0,0,0,0|2,0,1]=4 312 B8R0.1 C#CCCC(=O)C=CI 1458a_100016256311_100000753159 [0,1,0,0,0,0|2,0,1]=4 313 B8R0.1 C#CCNC(=O)C=CBr 1626a_100000212058_100016273825 [0,1,0,0,0,0|2,0,1]=4 314 B8R0.1 C#CCNC(=O)C=CBr 240690a_100000212058_100016273825 [0,1,0,0,0,0|2,0,1]=4 315 B8R0.1 C#CCNC(=O)C=CC 11a_100000212058_100000210699 [0,1,0,0,0,0|1,0,1]=3 316 B8R0.1 C#CCNC(=O)C=CC 1626a_100000212058_100000210699 [0,1,0,0,0,0|1,0,1]=3 317 B8R0.1 C#CCNC(=O)C=CC 240690a_100000212058_100000210699 [0,1,0,0,0,0|1,0,1]=3 318 B8R0.1 C#CCNC(=O)C=CCl 11a_100000212058_200016279998 [0,1,0,0,0,0|2,0,1]=4 319 B8R0.1 C#CCNC(=O)C=CCl 1626a_100000212058_200016279998 [0,1,0,0,0,0|2,0,1]=4 320 B8R0.1 C#CCNC(=O)C=CCl 240690a_100000212058_200016279998 [0,1,0,0,0,0|2,0,1]=4 321 B8R0.1 C#CCNC(=O)C=CI 1626a_100000212058_100016256311 [0,1,0,0,0,0|2,0,1]=4 322 B8R0.1 C#CCOC(C)/C=C/C 34a_200102604097_100000184674 [0,1,0,0,0,0|1,0,2]=4 323 B8R0.1 C/C=C/C(C)OCC=O 34a_200102604097_200009817547 [0,1,0,0,0,0|1,0,2]=4 324 B8R0.1 C/C=C/C(C)OCCC 34a_200102604097_100000210303 [0,1,0,0,0,0|1,0,1]=3 325 B8R0.1 C/C=C/C(C)OCCF 34a_200102604097_100011217306 [0,1,0,0,0,0|1,0,1]=3 326 B8R0.1 C/C=C/C(C)OCCO 34a_200102604097_100000211926 [0,1,0,0,0,0|1,0,1]=3 327 B8R0.1 C/C=C/C(C)OCSC 34a_200102604097_100011218213 [0,1,0,0,0,0|1,0,1]=3 328 B8R0.1 C/C=C/CC(=O)C=CBr 1458a_100016273825_100102629194 [0,1,0,0,0,0|2,0,1]=4 329 B8R0.1 C/C=C/CC(=O)C=CCl 1458a_200016279998_100102629194 [0,1,0,0,0,0|2,0,1]=4 330 B8R0.1 C/C=C/CC(=O)C=CI 1458a_100016256311_100102629194 [0,1,0,0,0,0|2,0,1]=4 331 B8R0.1 C/C=C/CC(=O)CC#N 1458a_100051588842_100102629194 [0,1,0,0,0,0|2,0,1]=4 332 B8R0.1 C/C=C/CC(=O)CCC 1458a_100000211992_100102629194 [0,1,0,0,0,0|1,0,0]=2 333 B8R0.1 C/C=C/CC(=O)CCO 1458a_100011216618_100102629194 [0,1,0,0,0,0|2,0,0]=3 334 B8R0.1 C/C=C/CC(=O)COC 1458a_100000210968_100102629194 [0,1,0,0,0,0|2,0,0]=3 335 B8R0.1 C/C=C/CC(=O)CSC 1458a_100000184570_100102629194 [0,1,0,0,0,0|2,0,0]=3 336 B8R0.1 C/C=C/CN(C)CCC 269982a_100000747261_100102629194 [0,1,0,0,0,0|3,0,0]=4 337 B8R0.1 C=C(CNC)OCOC 34a_100102657272_100000042856 [0,1,0,0,0,0|2,0,1]=4 338 B8R0.1 C=C(COC)OCOC 34a_100138415774_100000042856 [0,1,0,0,0,0|2,0,1]=4 339 B8R0.1 C=C(CSC)OCOC 62a_100000042856_200000210301 [0,1,0,0,0,0|2,0,1]=4 340 B8R0.1 C=C(CSC)OCOC 62a_200000210301_100000042856 [0,1,0,0,0,0|2,0,1]=4 341 B8R0.1 C=C(CS[13CH3])OCOC 62a_100000042856_200025704644 [0,1,0,0,0,0|2,0,1]=4 342 B8R0.1 C=C(CS[13CH3])OCOC 62a_200025704644_100000042856 [0,1,0,0,0,0|2,0,1]=4 343 B8R0.1 C=CC=CC(=O)CCC 1458a_100016291481_100000210303 [0,1,0,0,0,0|1,0,1]=3 344 B8R0.1 C=CC=CC(=O)CCF 1458a_100016291481_100011217306 [0,1,0,0,0,0|2,0,1]=4 345 B8R0.1 C=CC=CC(=O)CCO 1458a_100016291481_100000211926 [0,1,0,0,0,0|2,0,1]=4 346 B8R0.1 C=CC=CC(=O)NNC 22a_100016993582_100016291481 [0,1,0,0,0,0|2,0,1]=4 347 B8R0.1 C=CCC(=O)C#CCC 1458a_100011827653_100000210623 [0,1,0,0,0,0|1,0,2]=4 348 B8R0.1 C=CCC(=O)C/C=C/C 1458a_100000210193_100102629194 [0,1,0,0,0,0|1,0,2]=4 349 B8R0.1 C=CCC(=O)C=CCC 1458a_100000212282_100000210623 [0,1,0,0,0,0|1,0,2]=4 350 B8R0.1 C=CCC(=O)C=COC 1458a_100016268678_100000210623 [0,1,0,0,0,0|1,0,2]=4 351 B8R0.1 C=CCC(=O)CC=CC 1458a_100000210193_100000070051 [0,1,0,0,0,0|1,0,2]=4 352 B8R0.1 C=CCC(=O)CC=CC 1458a_100121576822_100000210623 [0,1,0,0,0,0|1,0,2]=4 353 B8R0.1 C=CCC(=O)CCCC 1458a_100000210183_100000210623 [0,1,0,0,0,0|1,0,2]=4 354 B8R0.1 C=CCC(=O)CCCC 1458a_100000210193_100000210211 [0,1,0,0,0,0|1,0,2]=4 355 B8R0.1 C=CCC(=O)CCCF 1458a_100000210193_100011934791 [0,1,0,0,0,0|1,0,2]=4 356 B8R0.1 C=CCC(=O)CCCO 1458a_100000210193_100011215043 [0,1,0,0,0,0|1,0,2]=4 357 B8R0.1 C=CCC(=O)CCOC 1458a_100000210193_100000233755 [0,1,0,0,0,0|1,0,2]=4 358 B8R0.1 C=CCC(=O)CCOC 1458a_100000749529_100000210623 [0,1,0,0,0,0|1,0,2]=4 359 B8R0.1 C=CCC(=O)CCSC 1458a_100000174002_100000210623 [0,1,0,0,0,0|1,0,2]=4 360 B8R0.1 C=CCC(=O)CCSC 1458a_100000210193_100000751147 [0,1,0,0,0,0|1,0,2]=4 361 B8R0.1 C=CCC(=O)COCC 1458a_100000211967_100000210623 [0,1,0,0,0,0|0,0,2]=3 362 B8R0.1 C=CCC(=O)CSCC 1458a_100000230394_100000210623 [0,1,0,0,0,0|0,1,2]=4 363 B8R0.1 C=CCC(=O)NCCC 11a_100020643023_100000210193 [0,1,0,0,0,0|1,0,2]=4 364 B8R0.1 C=CCC(=O)NCCC 1626a_100020643023_100000210193 [0,1,0,0,0,0|1,0,2]=4 365 B8R0.1 C=CCC(=O)NCCC 240690a_100020643023_100000210193 [0,1,0,0,0,0|1,0,2]=4 366 B8R0.1 C=CCC(=O)NCCC 527a_100020643023_100000210193 [0,1,0,0,0,0|1,0,2]=4 367 B8R0.1 C=CCC(=O)NCCF 11a_100000724931_100000210193 [0,1,0,0,0,0|1,0,2]=4 368 B8R0.1 C=CCC(=O)NCCF 1626a_100000724931_100000210193 [0,1,0,0,0,0|1,0,2]=4 369 B8R0.1 C=CCC(=O)NCCF 240690a_100000724931_100000210193 [0,1,0,0,0,0|1,0,2]=4 370 B8R0.1 C=CCC(=O)NCCF 527a_100000724931_100000210193 [0,1,0,0,0,0|1,0,2]=4 371 B8R0.1 C=CCC(=O)NCCO 240690a_100000210304_100000210193 [0,1,0,0,0,0|1,0,2]=4 372 B8R0.1 C=CCC(=O)NCCO 527a_100000210304_100000210193 [0,1,0,0,0,0|1,0,2]=4 373 B8R0.1 C=CCC(=O)NNCC 22a_100000756455_100000210193 [0,1,0,0,0,0|1,0,2]=4 374 B8R0.1 C=CCCC(=O)C=CBr 1458a_100016273825_100000754431 [0,1,0,0,0,0|2,0,1]=4 375 B8R0.1 C=CCCC(=O)C=CC 1458a_100000210699_100000754431 [0,1,0,0,0,0|1,0,1]=3 376 B8R0.1 C=CCCC(=O)C=CCl 1458a_200016279998_100000754431 [0,1,0,0,0,0|2,0,1]=4 377 B8R0.1 C=CCCC(=O)C=CI 1458a_100016256311_100000754431 [0,1,0,0,0,0|2,0,1]=4 378 B8R0.1 C=CCCC(=O)CCC 1458a_100000211992_100000754431 [0,1,0,0,0,0|1,0,2]=4 379 B8R0.1 C=CCCC(=O)CCC 1458a_100000749702_100000210303 [0,1,0,0,0,0|1,0,2]=4 380 B8R0.1 C=CCCC(=O)NCC 11a_100015525214_100000749702 [0,1,0,0,0,0|1,0,2]=4 381 B8R0.1 C=CCCC(=O)NCC 240690a_100015525214_100000749702 [0,1,0,0,0,0|1,0,2]=4 382 B8R0.1 C=CCCC(=O)NCC 527a_100015525214_100000749702 [0,1,0,0,0,0|1,0,2]=4 383 B8R0.1 C=CCNC(=O)C=CBr 1626a_100020586998_100016273825 [0,1,0,0,0,0|2,0,1]=4 384 B8R0.1 C=CCNC(=O)C=CBr 240690a_100020586998_100016273825 [0,1,0,0,0,0|2,0,1]=4 385 B8R0.1 C=CCNC(=O)C=CC 1626a_100020586998_100000210699 [0,1,0,0,0,0|1,0,1]=3 386 B8R0.1 C=CCNC(=O)C=CC 240690a_100020586998_100000210699 [0,1,0,0,0,0|1,0,1]=3 387 B8R0.1 C=CCNC(=O)C=CCl 1626a_100020586998_200016279998 [0,1,0,0,0,0|2,0,1]=4 388 B8R0.1 C=CCNC(=O)C=CCl 240690a_100020586998_200016279998 [0,1,0,0,0,0|2,0,1]=4 389 B8R0.1 C=CCNC(=O)C=CI 1626a_100020586998_100016256311 [0,1,0,0,0,0|2,0,1]=4 390 B8R0.1 C=CCNC(=O)CCC 1626a_100020586998_100000211992 [0,1,0,0,0,0|1,0,2]=4 391 B8R0.1 C=CCNC(=O)CCC 240690a_100020586998_100000211992 [0,1,0,0,0,0|1,0,2]=4 392 B8R0.1 C=CCNC(=O)CCC 527a_100020586998_100000211992 [0,1,0,0,0,0|1,0,2]=4 393 B8R0.1 C=CCNC(=O)NCC 2708a_100015525214_100020586998 [0,1,0,0,0,0|1,0,2]=4 394 B8R0.1 C=CCNC(=O)NCC 273464a_100015525214_100020586998 [0,1,0,0,0,0|1,0,2]=4 395 B8R0.1 C=CCNC(=O)NCC 273464a_100020586998_100015525214 [0,1,0,0,0,0|1,0,2]=4 396 B8R0.1 C=CCNC(=O)NCC 512a_100015525214_100020586998 [0,1,0,0,0,0|1,0,2]=4 397 B8R0.1 C=CCNC(=O)NCC 512a_100020586998_100015525214 [0,1,0,0,0,0|1,0,2]=4 398 B8R0.1 C=CCOC(=O)CNC 2230a_106832991635_100000033060 [0,1,0,0,0,0|1,0,2]=4 399 B8R0.1 C=CCOC(=O)CNC 34a_100102657272_100000033060 [0,1,0,0,0,0|1,0,2]=4 400 B8R0.1 C=CCOC(=O)CNC 7a_106832991635_100000033060 [0,1,0,0,0,0|1,0,2]=4 401 B8R0.1 C=CCOC(=O)COC 34a_100138415774_100000033060 [0,1,0,0,0,0|1,0,2]=4 402 B8R0.1 C=CCOC(=O)CSC 62a_100000033060_200000210301 [0,1,0,0,0,0|1,0,2]=4 403 B8R0.1 C=CCOC(=O)CSC 62a_200000210301_100000033060 [0,1,0,0,0,0|1,0,2]=4 404 B8R0.1 C=CCOC(=O)CS[13CH3] 62a_100000033060_200025704644 [0,1,0,0,0,0|1,0,2]=4 405 B8R0.1 C=CCOC(=O)CS[13CH3] 62a_200025704644_100000033060 [0,1,0,0,0,0|1,0,2]=4 406 B8R0.1 C=CCOC(C)/C=C/C 34a_200102604097_100015514636 [0,1,0,0,0,0|1,0,2]=4 407 B8R0.1 C=COC(=O)CNCC 2230a_100015525214_100000036128 [0,1,0,0,0,0|2,0,1]=4 408 B8R0.1 C=COC(=O)COCC 34a_100121572206_100000036128 [0,1,0,0,0,0|1,0,1]=3 409 B8R0.1 C=COC(=O)CSCC 62a_100000036128_100000210202 [0,1,0,0,0,0|1,1,1]=4 410 B8R0.1 C=COC(=O)CSCC 62a_100000210202_100000036128 [0,1,0,0,0,0|1,1,1]=4 411 B8R0.1 CC#CC(=O)C/C=C/C 1458a_100000763181_100102629194 [0,1,0,0,0,0|1,0,1]=3 412 B8R0.1 CC#CC(=O)CC=CC 1458a_100000763181_100000070051 [0,1,0,0,0,0|1,0,1]=3 413 B8R0.1 CC#CC(=O)CCCC 1458a_100000763181_100000210211 [0,1,0,0,0,0|1,0,2]=4 414 B8R0.1 CC#CC(=O)CCCF 1458a_100000763181_100011934791 [0,1,0,0,0,0|1,0,2]=4 415 B8R0.1 CC#CC(=O)CCCO 1458a_100000763181_100011215043 [0,1,0,0,0,0|1,0,2]=4 416 B8R0.1 CC#CC(=O)CCOC 1458a_100000763181_100000233755 [0,1,0,0,0,0|1,0,2]=4 417 B8R0.1 CC#CC(=O)CCSC 1458a_100000763181_100000751147 [0,1,0,0,0,0|1,0,2]=4 418 B8R0.1 CC#CC(=O)NNCC 22a_100000756455_100000763181 [0,1,0,0,0,0|1,0,2]=4 419 B8R0.1 CC#CCC(=O)C=CBr 1458a_100016273825_100000748600 [0,1,0,0,0,0|2,0,1]=4 420 B8R0.1 CC#CCC(=O)C=CC 1458a_100000210699_100000748600 [0,1,0,0,0,0|1,0,1]=3 421 B8R0.1 CC#CCC(=O)C=CCl 1458a_200016279998_100000748600 [0,1,0,0,0,0|2,0,1]=4 422 B8R0.1 CC#CCC(=O)C=CI 1458a_100016256311_100000748600 [0,1,0,0,0,0|2,0,1]=4 423 B8R0.1 CC#CCC(=O)CCC 1458a_100000211992_100000748600 [0,1,0,0,0,0|1,0,2]=4 424 B8R0.1 CC=CC(=NNCC)C 4a_100000756455_100011218416 [0,1,0,0,0,0|2,0,0]=3 425 B8R0.1 CC=CC(=O)C/C=C/C 1458a_100000210699_100102629194 [0,1,0,0,0,0|1,0,1]=3 426 B8R0.1 CC=CC(=O)CCC#N 1458a_100000210699_100011215226 [0,1,0,0,0,0|1,0,1]=3 427 B8R0.1 CC=CC(=O)CCCC 1458a_100000210699_100000210211 [0,1,0,0,0,0|1,0,0]=2 428 B8R0.1 CC=CC(=O)CCCF 1458a_100000210699_100011934791 [0,1,0,0,0,0|1,0,0]=2 429 B8R0.1 CC=CC(=O)CCCO 1458a_100000210699_100011215043 [0,1,0,0,0,0|1,0,0]=2 430 B8R0.1 CC=CC(=O)CCOC 1458a_100000210699_100000233755 [0,1,0,0,0,0|1,0,0]=2 431 B8R0.1 CC=CC(=O)CCSC 1458a_100000210699_100000751147 [0,1,0,0,0,0|1,0,0]=2 432 B8R0.1 CC=CC(=O)NCC#N 1626a_100000734998_100000210699 [0,1,0,0,0,0|1,0,1]=3 433 B8R0.1 CC=CC(=O)NCCC 11a_100020643023_100000210699 [0,1,0,0,0,0|1,0,0]=2 434 B8R0.1 CC=CC(=O)NCCC 1626a_100020643023_100000210699 [0,1,0,0,0,0|1,0,0]=2 435 B8R0.1 CC=CC(=O)NCCC 240690a_100020643023_100000210699 [0,1,0,0,0,0|1,0,0]=2 436 B8R0.1 CC=CC(=O)NCCF 11a_100000724931_100000210699 [0,1,0,0,0,0|1,0,0]=2 437 B8R0.1 CC=CC(=O)NCCF 1626a_100000724931_100000210699 [0,1,0,0,0,0|1,0,0]=2 438 B8R0.1 CC=CC(=O)NCCF 240690a_100000724931_100000210699 [0,1,0,0,0,0|1,0,0]=2 439 B8R0.1 CC=CC(=O)NCCO 240690a_100000210304_100000210699 [0,1,0,0,0,0|1,0,0]=2 440 B8R0.1 CC=CC(=O)NNCC 22a_100000756455_100000210699 [0,1,0,0,0,0|1,0,0]=2 441 B8R0.1 CC=CCC(=O)C=CBr 1458a_100016273825_100000070051 [0,1,0,0,0,0|2,0,1]=4 442 B8R0.1 CC=CCC(=O)C=CC 1458a_100000210699_100000070051 [0,1,0,0,0,0|1,0,1]=3 443 B8R0.1 CC=CCC(=O)C=CCl 1458a_200016279998_100000070051 [0,1,0,0,0,0|2,0,1]=4 444 B8R0.1 CC=CCC(=O)C=CI 1458a_100016256311_100000070051 [0,1,0,0,0,0|2,0,1]=4 445 B8R0.1 CC=CCC(=O)CC#N 1458a_100051588842_100000070051 [0,1,0,0,0,0|2,0,1]=4 446 B8R0.1 CC=CCC(=O)CC#N 1458a_100121576822_100011214920 [0,1,0,0,0,0|2,0,1]=4 447 B8R0.1 CC=CCC(=O)CCC 1458a_100000211992_100000070051 [0,1,0,0,0,0|1,0,0]=2 448 B8R0.1 CC=CCC(=O)CCC 1458a_100121576822_100000210303 [0,1,0,0,0,0|1,0,0]=2 449 B8R0.1 CC=CCC(=O)CCF 1458a_100121576822_100011217306 [0,1,0,0,0,0|2,0,0]=3 450 B8R0.1 CC=CCC(=O)CCO 1458a_100011216618_100000070051 [0,1,0,0,0,0|2,0,0]=3 451 B8R0.1 CC=CCC(=O)CCO 1458a_100121576822_100000211926 [0,1,0,0,0,0|2,0,0]=3 452 B8R0.1 CC=CCC(=O)COC 1458a_100000210968_100000070051 [0,1,0,0,0,0|2,0,0]=3 453 B8R0.1 CC=CCC(=O)CSC 1458a_100000184570_100000070051 [0,1,0,0,0,0|2,0,0]=3 454 B8R0.1 CC=CCC(=O)NCC 11a_100015525214_100121576822 [0,1,0,0,0,0|1,0,0]=2 455 B8R0.1 CC=CCC(=O)NCC 240690a_100015525214_100121576822 [0,1,0,0,0,0|1,0,0]=2 456 B8R0.1 CC=CCC(=O)NCC 527a_100015525214_100121576822 [0,1,0,0,0,0|1,0,0]=2 457 B8R0.1 CC=CCC(=O)NNC 22a_100016993582_100121576822 [0,1,0,0,0,0|2,0,0]=3 458 B8R0.1 CC=CCN(C)CCC 2230a_100000747261_100000070051 [0,1,0,0,0,0|3,0,0]=4 459 B8R0.1 CC=NNC(=O)CCC 4a_100000189770_200000210099 [0,1,0,0,0,0|2,0,0]=3 460 B8R0.1 CC=NNC(=O)COC 4a_100000216845_200000210099 [0,1,0,0,0,0|3,0,0]=4 461 B8R0.1 CCC#CC(=O)CCC 1458a_100011827653_100000210303 [0,1,0,0,0,0|1,0,2]=4 462 B8R0.1 CCC#CC(=O)NNC 22a_100016993582_100011827653 [0,1,0,0,0,0|3,0,0]=4 463 B8R0.1 CCC=CC(=O)CC#N 1458a_100000212282_100011214920 [0,1,0,0,0,0|2,0,1]=4 464 B8R0.1 CCC=CC(=O)CCC 1458a_100000212282_100000210303 [0,1,0,0,0,0|1,0,0]=2 465 B8R0.1 CCC=CC(=O)CCF 1458a_100000212282_100011217306 [0,1,0,0,0,0|2,0,0]=3 466 B8R0.1 CCC=CC(=O)CCO 1458a_100000212282_100000211926 [0,1,0,0,0,0|2,0,0]=3 467 B8R0.1 CCC=CC(=O)NCC 11a_100015525214_100000212282 [0,1,0,0,0,0|1,0,0]=2 468 B8R0.1 CCC=CC(=O)NCC 240690a_100015525214_100000212282 [0,1,0,0,0,0|1,0,0]=2 469 B8R0.1 CCC=CC(=O)NNC 22a_100016993582_100000212282 [0,1,0,0,0,0|2,0,0]=3 470 B8R0.1 CCCC(=O)C#CCO 1458a_100000049017_100000210303 [0,1,0,0,0,0|1,0,2]=4 471 B8R0.1 CCCC(=O)C=COC 1458a_100016268678_100000210303 [0,1,0,0,0,0|1,0,0]=2 472 B8R0.1 CCCC(=O)CCCF 1458a_100000211992_100011934791 [0,1,0,0,0,0|1,0,2]=4 473 B8R0.1 CCCC(=O)CCCO 1458a_100000211992_100011215043 [0,1,0,0,0,0|1,0,2]=4 474 B8R0.1 CCCC(=O)CCOC 1458a_100000211992_100000233755 [0,1,0,0,0,0|1,0,2]=4 475 B8R0.1 CCCC(=O)CCOC 1458a_100000749529_100000210303 [0,1,0,0,0,0|1,0,2]=4 476 B8R0.1 CCCC(=O)CCSC 1458a_100000174002_100000210303 [0,1,0,0,0,0|1,0,2]=4 477 B8R0.1 CCCC(=O)CCSC 1458a_100000211992_100000751147 [0,1,0,0,0,0|1,0,2]=4 478 B8R0.1 CCCC(=O)CNCC 2230a_100015525214_100000747444 [0,1,0,0,0,0|1,0,2]=4 479 B8R0.1 CCCC(=O)COCC 1458a_100000211967_100000210303 [0,1,0,0,0,0|0,0,2]=3 480 B8R0.1 CCCC(=O)CSCC 1458a_100000230394_100000210303 [0,1,0,0,0,0|0,1,2]=4 481 B8R0.1 CCCC(=O)CSCC 62a_100000210202_100000747444 [0,1,0,0,0,0|0,1,2]=4 482 B8R0.1 CCCC(=O)CSCC 62a_100000747444_100000210202 [0,1,0,0,0,0|0,1,2]=4 483 B8R0.1 CCCC(=O)CSCF 62a_100000747444_100015361967 [0,1,0,0,0,0|2,0,1]=4 484 B8R0.1 CCCC(=O)CSCF 62a_100015361967_100000747444 [0,1,0,0,0,0|2,0,1]=4 485 B8R0.1 CCCC(=O)NCCF 11a_100000724931_100000211992 [0,1,0,0,0,0|1,0,2]=4 486 B8R0.1 CCCC(=O)NCCF 1626a_100000724931_100000211992 [0,1,0,0,0,0|1,0,2]=4 487 B8R0.1 CCCC(=O)NCCF 240690a_100000724931_100000211992 [0,1,0,0,0,0|1,0,2]=4 488 B8R0.1 CCCC(=O)NCCF 527a_100000724931_100000211992 [0,1,0,0,0,0|1,0,2]=4 489 B8R0.1 CCCC(=O)NCCO 240690a_100000210304_100000211992 [0,1,0,0,0,0|1,0,2]=4 490 B8R0.1 CCCC(=O)NCCO 527a_100000210304_100000211992 [0,1,0,0,0,0|1,0,2]=4 491 B8R0.1 CCCC(=O)NNCC 22a_100000756455_100000211992 [0,1,0,0,0,0|1,0,2]=4 492 B8R0.1 CCCC(=O)OCNC 2230a_106832991635_100000034017 [0,1,0,0,0,0|0,0,2]=3 493 B8R0.1 CCCC(=O)OCNC 34a_100102657272_100000034017 [0,1,0,0,0,0|0,0,2]=3 494 B8R0.1 CCCC(=O)OCOC 34a_100138415774_100000034017 [0,1,0,0,0,0|0,0,2]=3 495 B8R0.1 CCCC(=O)OCSC 62a_200000210301_100000034017 [0,1,0,0,0,0|0,0,2]=3 496 B8R0.1 CCCC(=O)OCS[13CH3] 62a_200025704644_100000034017 [0,1,0,0,0,0|0,0,2]=3 497 B8R0.1 CCCCC(=O)C=CBr 1458a_100016273825_100000210211 [0,1,0,0,0,0|2,0,0]=3 498 B8R0.1 CCCCC(=O)C=CCl 1458a_200016279998_100000210211 [0,1,0,0,0,0|2,0,0]=3 499 B8R0.1 CCCCC(=O)C=CI 1458a_100016256311_100000210211 [0,1,0,0,0,0|2,0,0]=3 500 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [0,1,0,0,0,0|1,0,2]=4 501 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [0,1,0,0,0,0|1,0,2]=4 502 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [0,1,0,0,0,0|2,0,1]=4 503 B8R0.1 CCCCC(=O)CSC 1458a_100000184570_100000210211 [0,1,0,0,0,0|2,0,1]=4 504 B8R0.1 CCCCC(=O)NCC 11a_100015525214_100000210183 [0,1,0,0,0,0|1,0,2]=4 505 B8R0.1 CCCCC(=O)NCC 240690a_100015525214_100000210183 [0,1,0,0,0,0|1,0,2]=4 506 B8R0.1 CCCCC(=O)NCC 527a_100015525214_100000210183 [0,1,0,0,0,0|1,0,2]=4 507 B8R0.1 CCCCC(=O)NNC 22a_100016993582_100000210183 [0,1,0,0,0,0|3,0,0]=4 508 B8R0.1 CCCNC(=O)C=CBr 1626a_100020643023_100016273825 [0,1,0,0,0,0|2,0,0]=3 509 B8R0.1 CCCNC(=O)C=CBr 240690a_100020643023_100016273825 [0,1,0,0,0,0|2,0,0]=3 510 B8R0.1 CCCNC(=O)C=CCl 11a_100020643023_200016279998 [0,1,0,0,0,0|2,0,0]=3 511 B8R0.1 CCCNC(=O)C=CCl 1626a_100020643023_200016279998 [0,1,0,0,0,0|2,0,0]=3 512 B8R0.1 CCCNC(=O)C=CCl 240690a_100020643023_200016279998 [0,1,0,0,0,0|2,0,0]=3 513 B8R0.1 CCCNC(=O)C=CI 1626a_100020643023_100016256311 [0,1,0,0,0,0|2,0,0]=3 514 B8R0.1 CCCNC(=O)CCC 11a_100020643023_100000211992 [0,1,0,0,0,0|1,0,2]=4 515 B8R0.1 CCCNC(=O)CCC 1626a_100020643023_100000211992 [0,1,0,0,0,0|1,0,2]=4 516 B8R0.1 CCCNC(=O)CCC 240690a_100020643023_100000211992 [0,1,0,0,0,0|1,0,2]=4 517 B8R0.1 CCCNC(=O)CCC 527a_100020643023_100000211992 [0,1,0,0,0,0|1,0,2]=4 518 B8R0.1 CCCNC(=O)CNC 2230a_100000174927_200000210301 [0,1,0,0,0,0|2,0,1]=4 519 B8R0.1 CCCNC(=O)CNC 2230a_106832991635_100000183358 [0,1,0,0,0,0|2,0,1]=4 520 B8R0.1 CCCNC(=O)CNC 34a_100102657272_100000183358 [0,1,0,0,0,0|2,0,1]=4 521 B8R0.1 CCCNC(=O)CNC 7a_106832991635_100000183358 [0,1,0,0,0,0|2,0,1]=4 522 B8R0.1 CCCNC(=O)CN[13CH3] 2230a_100000174927_200025704644 [0,1,0,0,0,0|2,0,1]=4 523 B8R0.1 CCCNC(=O)COC 11a_100020643023_100000210968 [0,1,0,0,0,0|2,0,1]=4 524 B8R0.1 CCCNC(=O)COC 1626a_100020643023_100000210968 [0,1,0,0,0,0|2,0,1]=4 525 B8R0.1 CCCNC(=O)COC 240690a_100020643023_100000210968 [0,1,0,0,0,0|2,0,1]=4 526 B8R0.1 CCCNC(=O)COC 34a_100138415774_100000183358 [0,1,0,0,0,0|2,0,1]=4 527 B8R0.1 CCCNC(=O)COC 527a_100020643023_100000210968 [0,1,0,0,0,0|2,0,1]=4 528 B8R0.1 CCCNC(=O)CSC 11a_100020643023_100000184570 [0,1,0,0,0,0|2,0,1]=4 529 B8R0.1 CCCNC(=O)CSC 1626a_100020643023_100000184570 [0,1,0,0,0,0|2,0,1]=4 530 B8R0.1 CCCNC(=O)CSC 240690a_100020643023_100000184570 [0,1,0,0,0,0|2,0,1]=4 531 B8R0.1 CCCNC(=O)CSC 527a_100020643023_100000184570 [0,1,0,0,0,0|2,0,1]=4 532 B8R0.1 CCCNC(=O)CSC 62a_100000183358_200000210301 [0,1,0,0,0,0|2,0,1]=4 533 B8R0.1 CCCNC(=O)CSC 62a_200000210301_100000183358 [0,1,0,0,0,0|2,0,1]=4 534 B8R0.1 CCCNC(=O)CS[13CH3] 62a_100000183358_200025704644 [0,1,0,0,0,0|2,0,1]=4 535 B8R0.1 CCCNC(=O)CS[13CH3] 62a_200025704644_100000183358 [0,1,0,0,0,0|2,0,1]=4 536 B8R0.1 CCCNC(=O)NCC 2708a_100015525214_100020643023 [0,1,0,0,0,0|1,0,2]=4 537 B8R0.1 CCCNC(=O)NCC 2708a_100020643023_100015525214 [0,1,0,0,0,0|1,0,2]=4 538 B8R0.1 CCCNC(=O)NCC 273464a_100015525214_100020643023 [0,1,0,0,0,0|1,0,2]=4 539 B8R0.1 CCCNC(=O)NCC 273464a_100020643023_100015525214 [0,1,0,0,0,0|1,0,2]=4 540 B8R0.1 CCCNC(=O)NCC 512a_100015525214_100020643023 [0,1,0,0,0,0|1,0,2]=4 541 B8R0.1 CCCNC(=O)NCC 512a_100020643023_100015525214 [0,1,0,0,0,0|1,0,2]=4 542 B8R0.1 CCCNC(=O)NNC 273464a_100020643023_100016993582 [0,1,0,0,0,0|3,0,0]=4 543 B8R0.1 CCCNC(=O)NNC 512a_100016993582_100020643023 [0,1,0,0,0,0|3,0,0]=4 544 B8R0.1 CCCNC(=O)NNC 512a_100020643023_100016993582 [0,1,0,0,0,0|3,0,0]=4 545 B8R0.1 CCCOC(=O)CNC 2230a_106832991635_200011215008 [0,1,0,0,0,0|1,0,1]=3 546 B8R0.1 CCCOC(=O)CNC 34a_100102657272_200011215008 [0,1,0,0,0,0|1,0,1]=3 547 B8R0.1 CCCOC(=O)CNC 7a_106832991635_200011215008 [0,1,0,0,0,0|1,0,1]=3 548 B8R0.1 CCCOC(=O)COC 34a_100138415774_200011215008 [0,1,0,0,0,0|1,0,1]=3 549 B8R0.1 CCCOC(=O)CSC 62a_200000210301_200011215008 [0,1,0,0,0,0|1,0,1]=3 550 B8R0.1 CCCOC(=O)CSC 62a_200011215008_200000210301 [0,1,0,0,0,0|1,0,1]=3 551 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200011215008_200025704644 [0,1,0,0,0,0|1,0,1]=3 552 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200025704644_200011215008 [0,1,0,0,0,0|1,0,1]=3 553 B8R0.1 CCNC(=O)C=COC 240690a_100015525214_100016268678 [0,1,0,0,0,0|1,0,0]=2 554 B8R0.1 CCNC(=O)CCNC 2230a_106832991635_100000737597 [0,1,0,0,0,0|1,0,2]=4 555 B8R0.1 CCNC(=O)CCNC 34a_100025743525_200000210301 [0,1,0,0,0,0|1,0,2]=4 556 B8R0.1 CCNC(=O)CCNC 7a_106832991635_100000737597 [0,1,0,0,0,0|1,0,2]=4 557 B8R0.1 CCNC(=O)CCN[13CH3] 34a_100025743525_200025704644 [0,1,0,0,0,0|1,0,2]=4 558 B8R0.1 CCNC(=O)CCOC 11a_100015525214_100000749529 [0,1,0,0,0,0|1,0,2]=4 559 B8R0.1 CCNC(=O)CCOC 240690a_100015525214_100000749529 [0,1,0,0,0,0|1,0,2]=4 560 B8R0.1 CCNC(=O)CCOC 527a_100015525214_100000749529 [0,1,0,0,0,0|1,0,2]=4 561 B8R0.1 CCNC(=O)CCSC 11a_100015525214_100000174002 [0,1,0,0,0,0|1,0,2]=4 562 B8R0.1 CCNC(=O)CCSC 240690a_100015525214_100000174002 [0,1,0,0,0,0|1,0,2]=4 563 B8R0.1 CCNC(=O)CCSC 527a_100015525214_100000174002 [0,1,0,0,0,0|1,0,2]=4 564 B8R0.1 CCNC(=O)CCSC 62a_100000737597_200000210301 [0,1,0,0,0,0|1,0,2]=4 565 B8R0.1 CCNC(=O)CCSC 62a_200000210301_100000737597 [0,1,0,0,0,0|1,0,2]=4 566 B8R0.1 CCNC(=O)CCS[13CH3] 62a_100000737597_200025704644 [0,1,0,0,0,0|1,0,2]=4 567 B8R0.1 CCNC(=O)CCS[13CH3] 62a_200025704644_100000737597 [0,1,0,0,0,0|1,0,2]=4 568 B8R0.1 CCNC(=O)COCC 11a_100015525214_100000211967 [0,1,0,0,0,0|1,0,1]=3 569 B8R0.1 CCNC(=O)COCC 240690a_100015525214_100000211967 [0,1,0,0,0,0|1,0,1]=3 570 B8R0.1 CCNC(=O)COCC 34a_100121572206_100000183381 [0,1,0,0,0,0|1,0,1]=3 571 B8R0.1 CCNC(=O)COCC 527a_100015525214_100000211967 [0,1,0,0,0,0|1,0,1]=3 572 B8R0.1 CCNC(=O)CSCC 11a_100015525214_100000230394 [0,1,0,0,0,0|1,0,2]=4 573 B8R0.1 CCNC(=O)CSCC 240690a_100015525214_100000230394 [0,1,0,0,0,0|1,0,2]=4 574 B8R0.1 CCNC(=O)CSCC 527a_100015525214_100000230394 [0,1,0,0,0,0|1,0,2]=4 575 B8R0.1 CCNC(=O)CSCC 62a_100000183381_100000210202 [0,1,0,0,0,0|1,0,2]=4 576 B8R0.1 CCNC(=O)CSCC 62a_100000210202_100000183381 [0,1,0,0,0,0|1,0,2]=4 577 B8R0.1 CCNC(=O)CSCF 62a_100000183381_100015361967 [0,1,0,0,0,0|2,0,1]=4 578 B8R0.1 CCNC(=O)CSCF 62a_100015361967_100000183381 [0,1,0,0,0,0|2,0,1]=4 579 B8R0.1 CCNC(=O)NCCF 2708a_100015525214_100000724931 [0,1,0,0,0,0|2,0,1]=4 580 B8R0.1 CCNC(=O)NCCF 273464a_100000724931_100015525214 [0,1,0,0,0,0|2,0,1]=4 581 B8R0.1 CCNC(=O)NCCF 273464a_100015525214_100000724931 [0,1,0,0,0,0|2,0,1]=4 582 B8R0.1 CCNC(=O)NCCF 512a_100015525214_100000724931 [0,1,0,0,0,0|2,0,1]=4 583 B8R0.1 CCNC(=O)NCCO 2708a_100015525214_100000210304 [0,1,0,0,0,0|2,0,1]=4 584 B8R0.1 CCNC(=O)NCCO 273464a_100000210304_100015525214 [0,1,0,0,0,0|2,0,1]=4 585 B8R0.1 CCNC(=O)NCCO 273464a_100015525214_100000210304 [0,1,0,0,0,0|2,0,1]=4 586 B8R0.1 CCNC(=O)NCCO 512a_100015525214_100000210304 [0,1,0,0,0,0|2,0,1]=4 587 B8R0.1 CCNCC(=O)NCC 2230a_100015525214_100000183381 [0,1,0,0,0,0|1,0,2]=4 588 B8R0.1 CCNCC(=O)NCC 2230a_100016988866_100000210202 [0,1,0,0,0,0|1,0,2]=4 589 B8R0.1 CCNCC(=O)OCC 2230a_100015525214_100000188475 [0,1,0,0,0,0|0,0,2]=3 590 B8R0.1 CCNNC(=O)COC 22a_100000756455_100000210968 [0,1,0,0,0,0|2,0,1]=4 591 B8R0.1 CCNNC(=O)CSC 22a_100000756455_100000184570 [0,1,0,0,0,0|2,0,1]=4 592 B8R0.1 CCNNC(=O)NCC 273464a_100015525214_100000756455 [0,1,0,0,0,0|2,0,1]=4 593 B8R0.1 CCNNC(=O)NCC 512a_100000756455_100015525214 [0,1,0,0,0,0|2,0,1]=4 594 B8R0.1 CCNNC(=O)NCC 512a_100015525214_100000756455 [0,1,0,0,0,0|2,0,1]=4 595 B8R0.1 CCNNC(=O)NNC 512a_100000756455_100016993582 [0,1,0,0,0,0|3,0,0]=4 596 B8R0.1 CCNNC(=O)NNC 512a_100016993582_100000756455 [0,1,0,0,0,0|3,0,0]=4 597 B8R0.1 CCOC(=O)CCNC 2230a_106832991635_100011206558 [0,1,0,0,0,0|0,0,2]=3 598 B8R0.1 CCOC(=O)CCNC 34a_100102657272_100000765890 [0,1,0,0,0,0|0,0,2]=3 599 B8R0.1 CCOC(=O)CCNC 7a_106832991635_100011206558 [0,1,0,0,0,0|0,0,2]=3 600 B8R0.1 CCOC(=O)CCOC 34a_100138415774_100000765890 [0,1,0,0,0,0|0,0,2]=3 601 B8R0.1 CCOC(=O)CCSC 62a_100000765890_200000210301 [0,1,0,0,0,0|0,0,2]=3 602 B8R0.1 CCOC(=O)CCSC 62a_200000210301_100000765890 [0,1,0,0,0,0|0,0,2]=3 603 B8R0.1 CCOC(=O)CCS[13CH3] 62a_100000765890_200025704644 [0,1,0,0,0,0|0,0,2]=3 604 B8R0.1 CCOC(=O)CCS[13CH3] 62a_200025704644_100000765890 [0,1,0,0,0,0|0,0,2]=3 605 B8R0.1 CCOC(=O)CSCC 62a_100000188475_100000210202 [0,1,0,0,0,0|0,0,2]=3 606 B8R0.1 CCOC(=O)CSCC 62a_100000210202_100000188475 [0,1,0,0,0,0|0,0,2]=3 607 B8R0.1 CCOC(=O)CSCF 62a_100000188475_100015361967 [0,1,0,0,0,0|1,0,1]=3 608 B8R0.1 CCOC(=O)CSCF 62a_100015361967_100000188475 [0,1,0,0,0,0|1,0,1]=3 609 B8R0.1 CCOC(=O)OCSC 62a_200000210301_100000075025 [0,1,0,0,0,0|1,0,1]=3 610 B8R0.1 CCOC(=O)OCS[13CH3] 62a_200025704644_100000075025 [0,1,0,0,0,0|1,0,1]=3 611 B8R0.1 CCOCC(=O)CC#N 1458a_100000211967_100011214920 [0,1,0,0,0,0|1,0,2]=4 612 B8R0.1 CCOCC(=O)CCF 1458a_100000211967_100011217306 [0,1,0,0,0,0|1,0,2]=4 613 B8R0.1 CCOCC(=O)CCO 1458a_100000211967_100000211926 [0,1,0,0,0,0|1,0,2]=4 614 B8R0.1 CCOCC(=O)NCO 34a_100121572206_100000185155 [0,1,0,0,0,0|2,0,1]=4 615 B8R0.1 CCOCC(=O)NNC 22a_100016993582_100000211967 [0,1,0,0,0,0|2,0,0]=3 616 B8R0.1 CCOCC(=O)OCC 34a_100121572206_100000188475 [0,1,0,0,0,0|0,0,2]=3 617 B8R0.1 CCSCC(=O)NNC 22a_100016993582_100000230394 [0,1,0,0,0,0|2,1,0]=4 618 B8R0.1 CNCC(=O)NCCF 2230a_100000725713_200000210301 [0,1,0,0,0,0|2,0,1]=4 619 B8R0.1 CNNC(=O)C=COC 22a_100016993582_100016268678 [0,1,0,0,0,0|2,0,0]=3 620 B8R0.1 CNNC(=O)CCOC 22a_100016993582_100000749529 [0,1,0,0,0,0|3,0,0]=4 621 B8R0.1 CNNC(=O)CCSC 22a_100016993582_100000174002 [0,1,0,0,0,0|3,0,0]=4 622 B8R0.1 CNNC(=O)NCCF 273464a_100000724931_100016993582 [0,1,0,0,0,0|3,0,0]=4 623 B8R0.1 CNNC(=O)NCCF 512a_100016993582_100000724931 [0,1,0,0,0,0|3,0,0]=4 624 B8R0.1 CNNC(=O)NCCO 273464a_100000210304_100016993582 [0,1,0,0,0,0|3,0,0]=4 625 B8R0.1 CNNC(=O)NCCO 512a_100016993582_100000210304 [0,1,0,0,0,0|3,0,0]=4 626 B8R0.1 COC=CC(=O)CC#N 1458a_100016268678_100011214920 [0,1,0,0,0,0|2,0,1]=4 627 B8R0.1 COC=CC(=O)CCF 1458a_100016268678_100011217306 [0,1,0,0,0,0|2,0,0]=3 628 B8R0.1 COC=CC(=O)CCO 1458a_100016268678_100000211926 [0,1,0,0,0,0|2,0,0]=3 629 B8R0.1 COCC(=O)CCCF 1458a_100000210968_100011934791 [0,1,0,0,0,0|2,0,1]=4 630 B8R0.1 COCC(=O)CCCO 1458a_100000210968_100011215043 [0,1,0,0,0,0|2,0,1]=4 631 B8R0.1 COCC(=O)CCSC 1458a_100000210968_100000751147 [0,1,0,0,0,0|2,0,1]=4 632 B8R0.1 COCC(=O)NCCF 11a_100000724931_100000210968 [0,1,0,0,0,0|2,0,1]=4 633 B8R0.1 COCC(=O)NCCF 1626a_100000724931_100000210968 [0,1,0,0,0,0|2,0,1]=4 634 B8R0.1 COCC(=O)NCCF 240690a_100000724931_100000210968 [0,1,0,0,0,0|2,0,1]=4 635 B8R0.1 COCC(=O)NCCF 527a_100000724931_100000210968 [0,1,0,0,0,0|2,0,1]=4 636 B8R0.1 COCC(=O)NCCO 240690a_100000210304_100000210968 [0,1,0,0,0,0|2,0,1]=4 637 B8R0.1 COCC(=O)NCCO 527a_100000210304_100000210968 [0,1,0,0,0,0|2,0,1]=4 638 B8R0.1 COCCC(=O)C=CBr 1458a_100016273825_100000233755 [0,1,0,0,0,0|2,0,0]=3 639 B8R0.1 COCCC(=O)C=CCl 1458a_200016279998_100000233755 [0,1,0,0,0,0|2,0,0]=3 640 B8R0.1 COCCC(=O)C=CI 1458a_100016256311_100000233755 [0,1,0,0,0,0|2,0,0]=3 641 B8R0.1 COCCC(=O)COC 1458a_100000210968_100000233755 [0,1,0,0,0,0|2,0,1]=4 642 B8R0.1 COCCC(=O)CSC 1458a_100000184570_100000233755 [0,1,0,0,0,0|2,0,1]=4 643 B8R0.1 CSCC(=O)CCCF 1458a_100000184570_100011934791 [0,1,0,0,0,0|2,0,1]=4 644 B8R0.1 CSCC(=O)CCCO 1458a_100000184570_100011215043 [0,1,0,0,0,0|2,0,1]=4 645 B8R0.1 CSCC(=O)NCCF 11a_100000724931_100000184570 [0,1,0,0,0,0|2,0,1]=4 646 B8R0.1 CSCC(=O)NCCF 1626a_100000724931_100000184570 [0,1,0,0,0,0|2,0,1]=4 647 B8R0.1 CSCC(=O)NCCF 240690a_100000724931_100000184570 [0,1,0,0,0,0|2,0,1]=4 648 B8R0.1 CSCC(=O)NCCF 527a_100000724931_100000184570 [0,1,0,0,0,0|2,0,1]=4 649 B8R0.1 CSCC(=O)NCCO 240690a_100000210304_100000184570 [0,1,0,0,0,0|2,0,1]=4 650 B8R0.1 CSCC(=O)NCCO 527a_100000210304_100000184570 [0,1,0,0,0,0|2,0,1]=4 651 B8R0.1 CSCCC(=O)C=CBr 1458a_100016273825_100000751147 [0,1,0,0,0,0|2,0,0]=3 652 B8R0.1 CSCCC(=O)C=CCl 1458a_200016279998_100000751147 [0,1,0,0,0,0|2,0,0]=3 653 B8R0.1 CSCCC(=O)C=CI 1458a_100016256311_100000751147 [0,1,0,0,0,0|2,0,0]=3 654 B8R0.1 CSCCC(=O)CSC 1458a_100000184570_100000751147 [0,1,0,0,0,0|2,0,1]=4 655 B8R0.1 N#CCCC(=O)C=CBr 1458a_100016273825_100011215226 [0,1,0,0,0,0|2,0,1]=4 656 B8R0.1 N#CCCC(=O)C=CCl 1458a_200016279998_100011215226 [0,1,0,0,0,0|2,0,1]=4 657 B8R0.1 N#CCCC(=O)C=CI 1458a_100016256311_100011215226 [0,1,0,0,0,0|2,0,1]=4 658 B8R0.1 N#CCNC(=O)C=CBr 1626a_100000734998_100016273825 [0,1,0,0,0,0|2,0,1]=4 659 B8R0.1 N#CCNC(=O)C=CCl 1626a_100000734998_200016279998 [0,1,0,0,0,0|2,0,1]=4 660 B8R0.1 N#CCNC(=O)C=CI 1626a_100000734998_100016256311 [0,1,0,0,0,0|2,0,1]=4 661 B8R0.1 O=C(C=CBr)CCCF 1458a_100016273825_100011934791 [0,1,0,0,0,0|2,0,0]=3 662 B8R0.1 O=C(C=CBr)CCCO 1458a_100016273825_100011215043 [0,1,0,0,0,0|2,0,0]=3 663 B8R0.1 O=C(C=CBr)NCCF 1626a_100000724931_100016273825 [0,1,0,0,0,0|2,0,0]=3 664 B8R0.1 O=C(C=CBr)NCCF 240690a_100000724931_100016273825 [0,1,0,0,0,0|2,0,0]=3 665 B8R0.1 O=C(C=CBr)NCCO 240690a_100000210304_100016273825 [0,1,0,0,0,0|2,0,0]=3 666 B8R0.1 O=C(C=CCl)CCCF 1458a_200016279998_100011934791 [0,1,0,0,0,0|2,0,0]=3 667 B8R0.1 O=C(C=CCl)CCCO 1458a_200016279998_100011215043 [0,1,0,0,0,0|2,0,0]=3 668 B8R0.1 O=C(C=CCl)NCCF 11a_100000724931_200016279998 [0,1,0,0,0,0|2,0,0]=3 669 B8R0.1 O=C(C=CCl)NCCF 1626a_100000724931_200016279998 [0,1,0,0,0,0|2,0,0]=3 670 B8R0.1 O=C(C=CCl)NCCF 240690a_100000724931_200016279998 [0,1,0,0,0,0|2,0,0]=3 671 B8R0.1 O=C(C=CCl)NCCO 240690a_100000210304_200016279998 [0,1,0,0,0,0|2,0,0]=3 672 B8R0.1 O=C(C=CI)CCCF 1458a_100016256311_100011934791 [0,1,0,0,0,0|2,0,0]=3 673 B8R0.1 O=C(C=CI)CCCO 1458a_100016256311_100011215043 [0,1,0,0,0,0|2,0,0]=3 674 B8R0.1 O=C(C=CI)NCCF 1626a_100000724931_100016256311 [0,1,0,0,0,0|2,0,0]=3 675 B8R0.1 [13CH3]NCC(=O)NCCF 2230a_100000725713_200025704644 [0,1,0,0,0,0|2,0,1]=4 676 B8R0.3 C#CC(C)C(=O)C=CC 1458a_100000210699_200000035995 [0,1,0,0,0,0|1,0,2]=4 677 B8R0.3 C#CCC(=O)/C(=C/C)/C 1458a_100020587367_100000184674 [0,1,0,0,0,0|1,0,2]=4 678 B8R0.3 C/C=C(\C)/C(=O)CC#N 1458a_100020587367_100011214920 [0,1,0,0,0,0|2,0,1]=4 679 B8R0.3 C/C=C(\C)/C(=O)CCC 1458a_100020587367_100000210303 [0,1,0,0,0,0|1,0,0]=2 680 B8R0.3 C/C=C(\C)/C(=O)CCF 1458a_100020587367_100011217306 [0,1,0,0,0,0|2,0,0]=3 681 B8R0.3 C/C=C(\C)/C(=O)CCO 1458a_100020587367_100000211926 [0,1,0,0,0,0|2,0,0]=3 682 B8R0.3 C/C=C(\C)/C(=O)NCC 11a_100015525214_100020587367 [0,1,0,0,0,0|1,0,0]=2 683 B8R0.3 C/C=C(\C)/C(=O)NNC 22a_100016993582_100020587367 [0,1,0,0,0,0|2,0,0]=3 684 B8R0.3 C/C=C(\C)/C(C)NCC 269862a_100015525214_100020675665 [0,1,0,0,0,0|2,0,1]=4 685 B8R0.3 C=CC(C)C(=O)CCC 1458a_100011216780_100000210303 [0,1,0,0,0,0|1,0,2]=4 686 B8R0.3 C=CC(C)C(=O)NCC 11a_100015525214_100011216780 [0,1,0,0,0,0|1,0,2]=4 687 B8R0.3 C=CC(C)C(=O)NCC 240690a_100015525214_100011216780 [0,1,0,0,0,0|1,0,2]=4 688 B8R0.3 C=CC(C)C(=O)NCC 527a_100015525214_100011216780 [0,1,0,0,0,0|1,0,2]=4 689 B8R0.3 C=CCC(=O)/C(=C/C)/C 1458a_100020587367_100000210623 [0,1,0,0,0,0|1,0,2]=4 690 B8R0.3 C=CCC(=O)C(C)CC 1458a_100000210193_100000758301 [0,1,0,0,0,0|1,0,2]=4 691 B8R0.3 C=CCC(=O)C(C)CC 1458a_100011192722_100000210623 [0,1,0,0,0,0|1,0,2]=4 692 B8R0.3 C=CCC(=O)C(O)CC 1458a_100011196387_100000210623 [0,1,0,0,0,0|1,0,2]=4 693 B8R0.3 C=CCC(=O)N(C)CC 11a_100000225621_100000210193 [0,1,0,0,0,0|1,0,2]=4 694 B8R0.3 C=CCC(=O)N(C)CC 1626a_100000225621_100000210193 [0,1,0,0,0,0|1,0,2]=4 695 B8R0.3 C=CCC(=O)N(C)CC 240690a_100000225621_100000210193 [0,1,0,0,0,0|1,0,2]=4 696 B8R0.3 C=CCC(=O)N(C)CC 527a_100000225621_100000210193 [0,1,0,0,0,0|1,0,2]=4 697 B8R0.3 CC#CC(=O)C(C)CC 1458a_100000763181_100000758301 [0,1,0,0,0,0|1,0,2]=4 698 B8R0.3 CC/C=C(\C)/C(=O)CC 1458a_100016988807_100000210202 [0,1,0,0,0,0|2,0,1]=4 699 B8R0.3 CC/C=C(\C)/C(=O)NC 11a_106832991635_100016988807 [0,1,0,0,0,0|3,0,0]=4 700 B8R0.3 CC/C=C(\C)/C(=O)NC 1626a_100102657272_100016988807 [0,1,0,0,0,0|3,0,0]=4 701 B8R0.3 CC/C=C(\C)/C(=O)NC 240690a_100102657272_100016988807 [0,1,0,0,0,0|3,0,0]=4 702 B8R0.3 CC/C=C(\C)/C(=O)NC 527a_100102657272_100016988807 [0,1,0,0,0,0|3,0,0]=4 703 B8R0.3 CC=CC(=O)C(C)C#N 1458a_100000210699_100000703298 [0,1,0,0,0,0|2,0,1]=4 704 B8R0.3 CC=CC(=O)C(C)CC 1458a_100000210699_100000758301 [0,1,0,0,0,0|1,0,0]=2 705 B8R0.3 CC=CC(=O)N(C)CC 11a_100000225621_100000210699 [0,1,0,0,0,0|1,0,0]=2 706 B8R0.3 CC=CC(=O)N(C)CC 1626a_100000225621_100000210699 [0,1,0,0,0,0|1,0,0]=2 707 B8R0.3 CC=CC(=O)N(C)CC 240690a_100000225621_100000210699 [0,1,0,0,0,0|1,0,0]=2 708 B8R0.3 CCC(C)C(=O)C=CBr 1458a_100016273825_100000758301 [0,1,0,0,0,0|2,0,0]=3 709 B8R0.3 CCC(C)C(=O)C=CCl 1458a_200016279998_100000758301 [0,1,0,0,0,0|2,0,0]=3 710 B8R0.3 CCC(C)C(=O)C=CI 1458a_100016256311_100000758301 [0,1,0,0,0,0|2,0,0]=3 711 B8R0.3 CCC(C)C(=O)COC 1458a_100000210968_100000758301 [0,1,0,0,0,0|2,0,1]=4 712 B8R0.3 CCC(C)C(=O)CSC 1458a_100000184570_100000758301 [0,1,0,0,0,0|2,0,1]=4 713 B8R0.3 CCC(C)C(=O)NNC 22a_100016993582_100011192722 [0,1,0,0,0,0|3,0,0]=4 714 B8R0.3 CCC(O)C(=O)NNC 22a_100016993582_100011196387 [0,1,0,0,0,0|3,0,0]=4 715 B8R0.3 CCCC(=O)C(=O)NC 1458a_100011218921_100000210303 [0,1,0,0,0,0|2,0,0]=3 716 B8R0.3 CCCC(=O)C(C)CC 1458a_100000211992_100000758301 [0,1,0,0,0,0|1,0,2]=4 717 B8R0.3 CCCC(=O)C(C)CC 1458a_100011192722_100000210303 [0,1,0,0,0,0|1,0,2]=4 718 B8R0.3 CCCC(=O)C(C)OC 1458a_100000743197_100000210303 [0,1,0,0,0,0|2,0,1]=4 719 B8R0.3 CCCC(=O)C(C)SC 1458a_100000149566_100000210303 [0,1,0,0,0,0|2,0,1]=4 720 B8R0.3 CCCC(=O)C(O)CC 1458a_100011196387_100000210303 [0,1,0,0,0,0|1,0,2]=4 721 B8R0.3 CCCC(=O)N(C)CC 11a_100000225621_100000211992 [0,1,0,0,0,0|1,0,2]=4 722 B8R0.3 CCCC(=O)N(C)CC 1626a_100000225621_100000211992 [0,1,0,0,0,0|1,0,2]=4 723 B8R0.3 CCCC(=O)N(C)CC 240690a_100000225621_100000211992 [0,1,0,0,0,0|1,0,2]=4 724 B8R0.3 CCCC(=O)N(C)CC 527a_100000225621_100000211992 [0,1,0,0,0,0|1,0,2]=4 725 B8R0.3 CCN(C)C(=O)C=CBr 1626a_100000225621_100016273825 [0,1,0,0,0,0|2,0,0]=3 726 B8R0.3 CCN(C)C(=O)C=CBr 240690a_100000225621_100016273825 [0,1,0,0,0,0|2,0,0]=3 727 B8R0.3 CCN(C)C(=O)C=CCl 11a_100000225621_200016279998 [0,1,0,0,0,0|2,0,0]=3 728 B8R0.3 CCN(C)C(=O)C=CCl 1626a_100000225621_200016279998 [0,1,0,0,0,0|2,0,0]=3 729 B8R0.3 CCN(C)C(=O)C=CCl 240690a_100000225621_200016279998 [0,1,0,0,0,0|2,0,0]=3 730 B8R0.3 CCN(C)C(=O)C=CI 1626a_100000225621_100016256311 [0,1,0,0,0,0|2,0,0]=3 731 B8R0.3 CCN(C)C(=O)CNC 2230a_106832991635_100000738999 [0,1,0,0,0,0|2,0,1]=4 732 B8R0.3 CCN(C)C(=O)CNC 34a_100102657272_100000738999 [0,1,0,0,0,0|2,0,1]=4 733 B8R0.3 CCN(C)C(=O)CNC 7a_106832991635_100000738999 [0,1,0,0,0,0|2,0,1]=4 734 B8R0.3 CCN(C)C(=O)COC 11a_100000225621_100000210968 [0,1,0,0,0,0|2,0,1]=4 735 B8R0.3 CCN(C)C(=O)COC 1626a_100000225621_100000210968 [0,1,0,0,0,0|2,0,1]=4 736 B8R0.3 CCN(C)C(=O)COC 240690a_100000225621_100000210968 [0,1,0,0,0,0|2,0,1]=4 737 B8R0.3 CCN(C)C(=O)COC 34a_100138415774_100000738999 [0,1,0,0,0,0|2,0,1]=4 738 B8R0.3 CCN(C)C(=O)COC 527a_100000225621_100000210968 [0,1,0,0,0,0|2,0,1]=4 739 B8R0.3 CCN(C)C(=O)CSC 11a_100000225621_100000184570 [0,1,0,0,0,0|2,0,1]=4 740 B8R0.3 CCN(C)C(=O)CSC 1626a_100000225621_100000184570 [0,1,0,0,0,0|2,0,1]=4 741 B8R0.3 CCN(C)C(=O)CSC 240690a_100000225621_100000184570 [0,1,0,0,0,0|2,0,1]=4 742 B8R0.3 CCN(C)C(=O)CSC 527a_100000225621_100000184570 [0,1,0,0,0,0|2,0,1]=4 743 B8R0.3 CCN(C)C(=O)CSC 62a_100000738999_200000210301 [0,1,0,0,0,0|2,0,1]=4 744 B8R0.3 CCN(C)C(=O)CSC 62a_200000210301_100000738999 [0,1,0,0,0,0|2,0,1]=4 745 B8R0.3 CCN(C)C(=O)CS[13CH3] 62a_100000738999_200025704644 [0,1,0,0,0,0|2,0,1]=4 746 B8R0.3 CCN(C)C(=O)CS[13CH3] 62a_200025704644_100000738999 [0,1,0,0,0,0|2,0,1]=4 747 B8R0.3 CCNC(=O)C(=O)CC 1458a_200011297158_100000210202 [0,1,0,0,0,0|1,0,1]=3 748 B8R0.3 CCNC(=O)C(=O)CF 1458a_200011297158_100015361967 [0,1,0,0,0,0|2,0,1]=4 749 B8R0.3 CCNC(=O)C(=O)NC 1626a_100102657272_200011297158 [0,1,0,0,0,0|2,0,0]=3 750 B8R0.3 CCNC(=O)C(=O)NC 240690a_100015525214_100011218921 [0,1,0,0,0,0|2,0,0]=3 751 B8R0.3 CCNC(=O)C(=O)NC 240690a_100102657272_200011297158 [0,1,0,0,0,0|2,0,0]=3 752 B8R0.3 CCNC(=O)C(=O)NC 527a_100015525214_100011218921 [0,1,0,0,0,0|2,0,0]=3 753 B8R0.3 CCNC(=O)C(=O)NC 527a_100102657272_200011297158 [0,1,0,0,0,0|2,0,0]=3 754 B8R0.3 CCNC(=O)C(=O)OC 11a_100015525214_100000024059 [0,1,0,0,0,0|2,0,0]=3 755 B8R0.3 CCNC(=O)C(=O)OC 240690a_100015525214_100000024059 [0,1,0,0,0,0|2,0,0]=3 756 B8R0.3 CCNC(=O)C(=O)OC 527a_100015525214_100000024059 [0,1,0,0,0,0|2,0,0]=3 757 B8R0.3 CCNC(=O)C(C)CC 11a_100015525214_100011192722 [0,1,0,0,0,0|1,0,2]=4 758 B8R0.3 CCNC(=O)C(C)CC 240690a_100015525214_100011192722 [0,1,0,0,0,0|1,0,2]=4 759 B8R0.3 CCNC(=O)C(C)CC 527a_100015525214_100011192722 [0,1,0,0,0,0|1,0,2]=4 760 B8R0.3 CCNC(=O)C(C)NC 2230a_100000736553_200000210301 [0,1,0,0,0,0|2,0,1]=4 761 B8R0.3 CCNC(=O)C(C)NC 2230a_106832991635_100000230173 [0,1,0,0,0,0|2,0,1]=4 762 B8R0.3 CCNC(=O)C(C)NC 34a_100000736553_200000210301 [0,1,0,0,0,0|2,0,1]=4 763 B8R0.3 CCNC(=O)C(C)NC 34a_100102657272_100000230173 [0,1,0,0,0,0|2,0,1]=4 764 B8R0.3 CCNC(=O)C(C)NC 7a_106832991635_100000230173 [0,1,0,0,0,0|2,0,1]=4 765 B8R0.3 CCNC(=O)C(C)N[13CH3] 2230a_100000736553_200025704644 [0,1,0,0,0,0|2,0,1]=4 766 B8R0.3 CCNC(=O)C(C)N[13CH3] 34a_100000736553_200025704644 [0,1,0,0,0,0|2,0,1]=4 767 B8R0.3 CCNC(=O)C(C)OC 11a_100015525214_100000743197 [0,1,0,0,0,0|2,0,1]=4 768 B8R0.3 CCNC(=O)C(C)OC 240690a_100015525214_100000743197 [0,1,0,0,0,0|2,0,1]=4 769 B8R0.3 CCNC(=O)C(C)OC 34a_100138415774_100000230173 [0,1,0,0,0,0|2,0,1]=4 770 B8R0.3 CCNC(=O)C(C)OC 527a_100015525214_100000743197 [0,1,0,0,0,0|2,0,1]=4 771 B8R0.3 CCNC(=O)C(C)SC 11a_100015525214_100000149566 [0,1,0,0,0,0|2,0,1]=4 772 B8R0.3 CCNC(=O)C(C)SC 240690a_100015525214_100000149566 [0,1,0,0,0,0|2,0,1]=4 773 B8R0.3 CCNC(=O)C(C)SC 527a_100015525214_100000149566 [0,1,0,0,0,0|2,0,1]=4 774 B8R0.3 CCNC(=O)C(C)SC 62a_100000230173_200000210301 [0,1,0,0,0,0|2,0,1]=4 775 B8R0.3 CCNC(=O)C(C)SC 62a_200000210301_100000230173 [0,1,0,0,0,0|2,0,1]=4 776 B8R0.3 CCNC(=O)C(C)S[13CH3] 62a_100000230173_200025704644 [0,1,0,0,0,0|2,0,1]=4 777 B8R0.3 CCNC(=O)C(C)S[13CH3] 62a_200025704644_100000230173 [0,1,0,0,0,0|2,0,1]=4 778 B8R0.3 CCNC(=O)C(O)CC 240690a_100015525214_100011196387 [0,1,0,0,0,0|1,0,2]=4 779 B8R0.3 CCNC(=O)N(C)CC 2708a_100015525214_100000225621 [0,1,0,0,0,0|2,0,1]=4 780 B8R0.3 CCNC(=O)N(C)CC 273464a_100015525214_100000225621 [0,1,0,0,0,0|2,0,1]=4 781 B8R0.3 CCOC(=O)C(=O)NC 11a_106832991635_100014798877 [0,1,0,0,0,0|1,0,0]=2 782 B8R0.3 CCOC(=O)C(=O)NC 1626a_100102657272_100014798877 [0,1,0,0,0,0|1,0,0]=2 783 B8R0.3 CCOC(=O)C(=O)NC 240690a_100102657272_100014798877 [0,1,0,0,0,0|1,0,0]=2 784 B8R0.3 CCOC(=O)C(C)NC 2230a_106832991635_100011215307 [0,1,0,0,0,0|1,0,1]=3 785 B8R0.3 CCOC(=O)C(C)NC 34a_100102657272_100011216346 [0,1,0,0,0,0|1,0,1]=3 786 B8R0.3 CCOC(=O)C(C)NC 7a_106832991635_100011216346 [0,1,0,0,0,0|1,0,1]=3 787 B8R0.3 CCOC(=O)C(C)OC 34a_100138415774_100011216346 [0,1,0,0,0,0|1,0,1]=3 788 B8R0.3 CCOC(=O)C(C)SC 62a_100011216346_200000210301 [0,1,0,0,0,0|1,0,1]=3 789 B8R0.3 CCOC(=O)C(C)SC 62a_200000210301_100011216346 [0,1,0,0,0,0|1,0,1]=3 790 B8R0.3 CCOC(=O)C(C)S[13CH3] 62a_100011216346_200025704644 [0,1,0,0,0,0|1,0,1]=3 791 B8R0.3 CCOC(=O)C(C)S[13CH3] 62a_200025704644_100011216346 [0,1,0,0,0,0|1,0,1]=3 792 B8R0.3 CCOC(=O)C(F)NC 2230a_106832991635_100000760018 [0,1,0,0,0,0|1,0,1]=3 793 B8R0.3 CCOC(=O)C(F)NC 34a_100102657272_100000760018 [0,1,0,0,0,0|1,0,1]=3 794 B8R0.3 CCOC(=O)C(F)NC 7a_106832991635_100000040065 [0,1,0,0,0,0|1,0,1]=3 795 B8R0.3 CCOC(=O)C(F)OC 34a_100138415774_100000760018 [0,1,0,0,0,0|1,0,1]=3 796 B8R0.3 CCOC(=O)C(F)SC 62a_100000760018_200000210301 [0,1,0,0,0,0|1,0,1]=3 797 B8R0.3 CCOC(=O)C(F)SC 62a_200000210301_100000760018 [0,1,0,0,0,0|1,0,1]=3 798 B8R0.3 CCOC(=O)C(F)S[13CH3] 62a_100000760018_200025704644 [0,1,0,0,0,0|1,0,1]=3 799 B8R0.3 CCOC(=O)C(F)S[13CH3] 62a_200025704644_100000760018 [0,1,0,0,0,0|1,0,1]=3 800 B8R0.3 CCOC(=O)[C@H](C)OC 7a_100000751109_200000210301 [0,1,0,0,0,0|1,0,1]=3 801 B8R0.3 CCOC(=O)[C@H](C)O[13CH3] 7a_100000751109_200025704644 [0,1,0,0,0,0|1,0,1]=3 802 B8R0.3 CCOC(C)C(=O)CC 1458a_100000739345_100000210202 [0,1,0,0,0,0|1,0,2]=4 803 B8R0.3 CCOC(C)C(=O)NC 11a_106832991635_100000739345 [0,1,0,0,0,0|2,0,1]=4 804 B8R0.3 CCOC(C)C(=O)NC 1626a_100102657272_100000739345 [0,1,0,0,0,0|2,0,1]=4 805 B8R0.3 CCOC(C)C(=O)NC 240690a_100102657272_100000739345 [0,1,0,0,0,0|2,0,1]=4 806 B8R0.3 CCOC(C)C(=O)NC 34a_100121572206_100000731044 [0,1,0,0,0,0|2,0,1]=4 807 B8R0.3 CCOC(C)C(=O)NC 527a_100102657272_100000739345 [0,1,0,0,0,0|2,0,1]=4 808 B8R0.3 CCOC(C)C(=O)OC 34a_100011215400_100000210202 [0,1,0,0,0,0|2,0,1]=4 809 B8R0.3 CCOC(C)C(=O)OC 34a_100121572206_100000211248 [0,1,0,0,0,0|2,0,1]=4 810 B8R0.3 CCOC(F)C(=O)NC 34a_100121572206_100009813575 [0,1,0,0,0,0|2,0,1]=4 811 B8R0.3 CCSC(=O)[C@H](C)NC 2230a_100103168634_200000210301 [0,1,0,0,0,0|1,1,1]=4 812 B8R0.3 CCSC(=O)[C@H](C)N[13CH3] 2230a_100103168634_200025704644 [0,1,0,0,0,0|1,1,1]=4 813 B8R0.3 CNC(=O)C(=O)CCF 1458a_100011218921_100011217306 [0,1,0,0,0,0|3,0,0]=4 814 B8R0.3 CNC(=O)C(=O)CCO 1458a_100011218921_100000211926 [0,1,0,0,0,0|3,0,0]=4 815 B8R0.3 CNCC(=O)C(=O)OC 34a_100102657272_100011610305 [0,1,0,0,0,0|3,0,0]=4 816 B8R0.3 CNNC(=O)C(=O)NC 22a_100016993582_100011218921 [0,1,0,0,0,0|3,0,0]=4 817 B8R0.3 COC(=O)C(=O)CSC 62a_100011610305_200000210301 [0,1,0,0,0,0|3,0,0]=4 818 B8R0.3 COC(=O)C(=O)CSC 62a_200000210301_100011610305 [0,1,0,0,0,0|3,0,0]=4 819 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_100011610305_200025704644 [0,1,0,0,0,0|3,0,0]=4 820 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_200025704644_100011610305 [0,1,0,0,0,0|3,0,0]=4 821 B8R0.3 COCC(=O)C(=O)OC 34a_100138415774_100011610305 [0,1,0,0,0,0|3,0,0]=4 822 B8R0.5 C#CCC(=O)C=C(C)C 1458a_100000211388_100000184674 [0,1,0,0,0,0|1,0,2]=4 823 B8R0.5 C#CCC(=O)C=C(C)Cl 1458a_200042562850_100000184674 [0,1,0,0,0,0|1,0,2]=4 824 B8R0.5 C#CCC(=O)C=C(C)I 1458a_100025716642_100000184674 [0,1,0,0,0,0|1,0,2]=4 825 B8R0.5 C/C=C/C(C)OC(C)C 34a_200102604097_100000210206 [0,1,0,0,0,0|1,0,1]=3 826 B8R0.5 C=C(C)CC(=O)C#CC 1458a_100000763181_100000748629 [0,1,0,0,0,0|1,0,2]=4 827 B8R0.5 C=C(C)CC(=O)C=CBr 1458a_100016273825_100000748629 [0,1,0,0,0,0|2,0,1]=4 828 B8R0.5 C=C(C)CC(=O)C=CC 1458a_100000210699_100000748629 [0,1,0,0,0,0|1,0,1]=3 829 B8R0.5 C=C(C)CC(=O)C=CCl 1458a_200016279998_100000748629 [0,1,0,0,0,0|2,0,1]=4 830 B8R0.5 C=C(C)CC(=O)C=CI 1458a_100016256311_100000748629 [0,1,0,0,0,0|2,0,1]=4 831 B8R0.5 C=C(C)CC(=O)CCC 1458a_100000211992_100000748629 [0,1,0,0,0,0|1,0,1]=3 832 B8R0.5 C=C(C)CC(=O)CCO 1458a_100011216618_100000748629 [0,1,0,0,0,0|2,0,1]=4 833 B8R0.5 C=C(C)CC(=O)COC 1458a_100000210968_100000748629 [0,1,0,0,0,0|2,0,1]=4 834 B8R0.5 C=C(C)CC(=O)CSC 1458a_100000184570_100000748629 [0,1,0,0,0,0|2,0,1]=4 835 B8R0.5 C=C(CCC)CC(=O)C 1458a_100000138376_200000210301 [0,1,0,0,0,0|2,0,1]=4 836 B8R0.5 C=C(CCC)CC(=O)[13CH3] 1458a_100000138376_200025704644 [0,1,0,0,0,0|2,0,1]=4 837 B8R0.5 C=C(F)CC(=O)C=CC 1458a_100000210699_100009893438 [0,1,0,0,0,0|1,0,2]=4 838 B8R0.5 C=C(F)CC(=O)CCC 1458a_100000211992_100009893438 [0,1,0,0,0,0|1,0,2]=4 839 B8R0.5 C=CCC(=O)C=C(C)C 1458a_100000211388_100000210623 [0,1,0,0,0,0|1,0,2]=4 840 B8R0.5 C=CCC(=O)C=C(C)Cl 1458a_200042562850_100000210623 [0,1,0,0,0,0|1,0,2]=4 841 B8R0.5 C=CCC(=O)C=C(C)I 1458a_100025716642_100000210623 [0,1,0,0,0,0|1,0,2]=4 842 B8R0.5 C=CCC(=O)CC(C)C 1458a_100000210193_100000210624 [0,1,0,0,0,0|1,0,2]=4 843 B8R0.5 C=CCC(=O)CC(C)C 1458a_100000210554_100000210623 [0,1,0,0,0,0|1,0,2]=4 844 B8R0.5 C=CCC(=O)CC(C)O 1458a_100000210193_100011218427 [0,1,0,0,0,0|1,0,2]=4 845 B8R0.5 C=CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210623 [0,1,0,0,0,0|1,0,2]=4 846 B8R0.5 C=CCC(=O)NC(C)C 11a_100138425928_100000210193 [0,1,0,0,0,0|1,0,2]=4 847 B8R0.5 C=CCC(=O)NC(C)C 1626a_100138425928_100000210193 [0,1,0,0,0,0|1,0,2]=4 848 B8R0.5 C=CCC(=O)NC(C)C 240690a_100138425928_100000210193 [0,1,0,0,0,0|1,0,2]=4 849 B8R0.5 C=CCC(=O)NC(C)C 527a_100138425928_100000210193 [0,1,0,0,0,0|1,0,2]=4 850 B8R0.5 C=COC(=O)CC(=O)C 1458a_100000070787_100000036128 [0,1,0,0,0,0|0,0,3]=4 851 B8R0.5 CC#CC(=O)CC(C)C 1458a_100000763181_100000210624 [0,1,0,0,0,0|1,0,2]=4 852 B8R0.5 CC#CC(=O)CC(C)O 1458a_100000763181_100011218427 [0,1,0,0,0,0|1,0,2]=4 853 B8R0.5 CC(=CC(=O)CC#N)C 1458a_100000211388_100011214920 [0,1,0,0,0,0|2,0,1]=4 854 B8R0.5 CC(=CC(=O)CC#N)Cl 1458a_200042562850_100011214920 [0,1,0,0,0,0|2,0,1]=4 855 B8R0.5 CC(=CC(=O)CC#N)I 1458a_100025716642_100011214920 [0,1,0,0,0,0|2,0,1]=4 856 B8R0.5 CC(=CC(=O)CCF)C 1458a_100000211388_100011217306 [0,1,0,0,0,0|2,0,0]=3 857 B8R0.5 CC(=CC(=O)CCF)Cl 1458a_200042562850_100011217306 [0,1,0,0,0,0|2,0,0]=3 858 B8R0.5 CC(=CC(=O)CCF)I 1458a_100025716642_100011217306 [0,1,0,0,0,0|2,0,0]=3 859 B8R0.5 CC(=CC(=O)CCO)C 1458a_100000211388_100000211926 [0,1,0,0,0,0|2,0,0]=3 860 B8R0.5 CC(=CC(=O)CCO)Cl 1458a_200042562850_100000211926 [0,1,0,0,0,0|2,0,0]=3 861 B8R0.5 CC(=CC(=O)CCO)I 1458a_100025716642_100000211926 [0,1,0,0,0,0|2,0,0]=3 862 B8R0.5 CC(=CC(C)OCF)C 34a_100000717055_100015361967 [0,1,0,0,0,0|2,0,1]=4 863 B8R0.5 CC(=O)CC(=O)NCO 1458a_100000070787_100000185155 [0,1,0,0,0,0|2,0,1]=4 864 B8R0.5 CC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000183797 [0,1,0,0,0,0|3,0,0]=4 865 B8R0.5 CC(C)CC(=O)C=CBr 1458a_100016273825_100000210624 [0,1,0,0,0,0|2,0,0]=3 866 B8R0.5 CC(C)CC(=O)C=CCl 1458a_200016279998_100000210624 [0,1,0,0,0,0|2,0,0]=3 867 B8R0.5 CC(C)CC(=O)C=CI 1458a_100016256311_100000210624 [0,1,0,0,0,0|2,0,0]=3 868 B8R0.5 CC(C)NC(=O)C=CBr 1626a_100138425928_100016273825 [0,1,0,0,0,0|2,0,0]=3 869 B8R0.5 CC(C)NC(=O)C=CBr 240690a_100138425928_100016273825 [0,1,0,0,0,0|2,0,0]=3 870 B8R0.5 CC(C)NC(=O)C=CCl 11a_100138425928_200016279998 [0,1,0,0,0,0|2,0,0]=3 871 B8R0.5 CC(C)NC(=O)C=CCl 1626a_100138425928_200016279998 [0,1,0,0,0,0|2,0,0]=3 872 B8R0.5 CC(C)NC(=O)C=CCl 240690a_100138425928_200016279998 [0,1,0,0,0,0|2,0,0]=3 873 B8R0.5 CC(C)NC(=O)C=CI 1626a_100138425928_100016256311 [0,1,0,0,0,0|2,0,0]=3 874 B8R0.5 CC(C)NC(=O)CN[13CH3] 2230a_100000168517_200025704644 [0,1,0,0,0,0|2,0,1]=4 875 B8R0.5 CC(C)NC(=O)CS[13CH3] 62a_100000183996_200025704644 [0,1,0,0,0,0|2,0,1]=4 876 B8R0.5 CC(C)NC(=O)CS[13CH3] 62a_200025704644_100000183996 [0,1,0,0,0,0|2,0,1]=4 877 B8R0.5 CC(C)OC(=O)CS[13CH3] 62a_100011215430_200025704644 [0,1,0,0,0,0|1,0,1]=3 878 B8R0.5 CC(C)OC(=O)CS[13CH3] 62a_200025704644_100011215430 [0,1,0,0,0,0|1,0,1]=3 879 B8R0.5 CC(O)CC(=O)C=CBr 1458a_100016273825_100011218427 [0,1,0,0,0,0|2,0,0]=3 880 B8R0.5 CC(O)CC(=O)C=CCl 1458a_200016279998_100011218427 [0,1,0,0,0,0|2,0,0]=3 881 B8R0.5 CC(O)CC(=O)C=CI 1458a_100016256311_100011218427 [0,1,0,0,0,0|2,0,0]=3 882 B8R0.5 CC=CC(=O)CC(=O)N 1458a_100000210699_100000187820 [0,1,0,0,0,0|2,0,1]=4 883 B8R0.5 CC=CC(=O)CC(=O)[O-] 1458a_100000210699_100020667443 [0,1,0,0,0,0|2,0,1]=4 884 B8R0.5 CC=CC(=O)CC(C)C 1458a_100000210699_100000210624 [0,1,0,0,0,0|1,0,0]=2 885 B8R0.5 CC=CC(=O)CC(C)O 1458a_100000210699_100011218427 [0,1,0,0,0,0|1,0,0]=2 886 B8R0.5 CC=CC(=O)CC(F)F 1458a_100000210699_100011934356 [0,1,0,0,0,0|2,0,0]=3 887 B8R0.5 CC=CC(=O)C[N+](=O)[O-] 1458a_100000210699_100000761209 [0,1,0,0,0,0|3,0,0]=4 888 B8R0.5 CC=CC(=O)NC(C)C 11a_100138425928_100000210699 [0,1,0,0,0,0|1,0,0]=2 889 B8R0.5 CC=CC(=O)NC(C)C 1626a_100138425928_100000210699 [0,1,0,0,0,0|1,0,0]=2 890 B8R0.5 CC=CC(=O)NC(C)C 240690a_100138425928_100000210699 [0,1,0,0,0,0|1,0,0]=2 891 B8R0.5 CCCC(=CC(=O)C)C 1458a_100020676950_200000210301 [0,1,0,0,0,0|2,0,0]=3 892 B8R0.5 CCCC(=CC(=O)[13CH3])C 1458a_100020676950_200025704644 [0,1,0,0,0,0|2,0,0]=3 893 B8R0.5 CCCC(=O)C=C(C)C 1458a_100000211388_100000210303 [0,1,0,0,0,0|1,0,0]=2 894 B8R0.5 CCCC(=O)C=C(C)Cl 1458a_200042562850_100000210303 [0,1,0,0,0,0|1,0,0]=2 895 B8R0.5 CCCC(=O)C=C(C)I 1458a_100025716642_100000210303 [0,1,0,0,0,0|1,0,0]=2 896 B8R0.5 CCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210303 [0,1,0,0,0,0|2,0,0]=3 897 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [0,1,0,0,0,0|1,0,1]=3 898 B8R0.5 CCCC(=O)CC(=O)N 1458a_100000211992_100000187820 [0,1,0,0,0,0|2,0,1]=4 899 B8R0.5 CCCC(=O)CC(=O)N 1458a_100134613110_100000210303 [0,1,0,0,0,0|2,0,1]=4 900 B8R0.5 CCCC(=O)CC(=O)[O-] 1458a_100000211992_100020667443 [0,1,0,0,0,0|2,0,1]=4 901 B8R0.5 CCCC(=O)CC(C)C 1458a_100000210554_100000210303 [0,1,0,0,0,0|1,0,2]=4 902 B8R0.5 CCCC(=O)CC(C)C 1458a_100000211992_100000210624 [0,1,0,0,0,0|1,0,2]=4 903 B8R0.5 CCCC(=O)CC(C)O 1458a_100000211992_100011218427 [0,1,0,0,0,0|1,0,2]=4 904 B8R0.5 CCCC(=O)CN(C)C 1458a_100000750896_100000210303 [0,1,0,0,0,0|2,0,1]=4 905 B8R0.5 CCCC(=O)CN(C)C 2230a_100102631434_100000747444 [0,1,0,0,0,0|2,0,1]=4 906 B8R0.5 CCCC(=O)CN(C)C 269982a_100102631434_100000747444 [0,1,0,0,0,0|2,0,1]=4 907 B8R0.5 CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210303 [0,1,0,0,0,0|1,0,2]=4 908 B8R0.5 CCCC(=O)C[S+](C)C 1458a_200159257847_100000210303 [0,1,0,0,0,0|2,0,1]=4 909 B8R0.5 CCCC(=O)NC(C)C 11a_100138425928_100000211992 [0,1,0,0,0,0|1,0,2]=4 910 B8R0.5 CCCC(=O)NC(C)C 1626a_100138425928_100000211992 [0,1,0,0,0,0|1,0,2]=4 911 B8R0.5 CCCC(=O)NC(C)C 240690a_100138425928_100000211992 [0,1,0,0,0,0|1,0,2]=4 912 B8R0.5 CCCC(=O)NC(C)C 527a_100138425928_100000211992 [0,1,0,0,0,0|1,0,2]=4 913 B8R0.5 CCCS(=O)CC(=O)C 1458a_100011387404_200000210301 [0,1,0,0,0,0|2,0,1]=4 914 B8R0.5 CCCS(=O)CC(=O)[13CH3] 1458a_100011387404_200025704644 [0,1,0,0,0,0|2,0,1]=4 915 B8R0.5 CCNC(=O)C=C(C)C 11a_100015525214_100000211388 [0,1,0,0,0,0|1,0,0]=2 916 B8R0.5 CCNC(=O)C=C(C)C 240690a_100015525214_100000211388 [0,1,0,0,0,0|1,0,0]=2 917 B8R0.5 CCNC(=O)C=C(C)Cl 11a_100015525214_200042562850 [0,1,0,0,0,0|1,0,0]=2 918 B8R0.5 CCNC(=O)C=C(C)Cl 240690a_100015525214_200042562850 [0,1,0,0,0,0|1,0,0]=2 919 B8R0.5 CCNC(=O)C=C(C)I 11a_100015525214_100025716642 [0,1,0,0,0,0|1,0,0]=2 920 B8R0.5 CCNC(=O)C=C(Cl)Cl 240690a_100015525214_100000137448 [0,1,0,0,0,0|2,0,0]=3 921 B8R0.5 CCNC(=O)CC(=O)C 1458a_100000070787_100000183381 [0,1,0,0,0,0|1,0,1]=3 922 B8R0.5 CCNC(=O)CC(=O)N 240690a_100015525214_100134613110 [0,1,0,0,0,0|2,0,1]=4 923 B8R0.5 CCNC(=O)CC(=O)N 527a_100015525214_100134613110 [0,1,0,0,0,0|2,0,1]=4 924 B8R0.5 CCNC(=O)CC(C)C 11a_100015525214_100000210554 [0,1,0,0,0,0|1,0,2]=4 925 B8R0.5 CCNC(=O)CC(C)C 240690a_100015525214_100000210554 [0,1,0,0,0,0|1,0,2]=4 926 B8R0.5 CCNC(=O)CC(C)C 527a_100015525214_100000210554 [0,1,0,0,0,0|1,0,2]=4 927 B8R0.5 CCNC(=O)CN(C)C 11a_100015525214_100000750896 [0,1,0,0,0,0|2,0,1]=4 928 B8R0.5 CCNC(=O)CN(C)C 2230a_100000741943_200000210301 [0,1,0,0,0,0|2,0,1]=4 929 B8R0.5 CCNC(=O)CN(C)C 2230a_100102631434_100000183381 [0,1,0,0,0,0|2,0,1]=4 930 B8R0.5 CCNC(=O)CN(C)C 240690a_100015525214_100000750896 [0,1,0,0,0,0|2,0,1]=4 931 B8R0.5 CCNC(=O)CN(C)C 269982a_100000741943_200000210301 [0,1,0,0,0,0|2,0,1]=4 932 B8R0.5 CCNC(=O)CN(C)C 269982a_100102631434_100000183381 [0,1,0,0,0,0|2,0,1]=4 933 B8R0.5 CCNC(=O)CN(C)C 527a_100015525214_100000750896 [0,1,0,0,0,0|2,0,1]=4 934 B8R0.5 CCNC(=O)CN(C)[13CH3] 2230a_100000741943_200025704644 [0,1,0,0,0,0|2,0,1]=4 935 B8R0.5 CCNC(=O)CN(C)[13CH3] 269982a_100000741943_200025704644 [0,1,0,0,0,0|2,0,1]=4 936 B8R0.5 CCNC(=O)C[C@@H](C)O 240690a_100015525214_100011933948 [0,1,0,0,0,0|1,0,2]=4 937 B8R0.5 CCNC(=O)C[S+](C)C 11a_100015525214_200159257847 [0,1,0,0,0,0|2,0,1]=4 938 B8R0.5 CCNC(=O)C[S+](C)C 240690a_100015525214_200159257847 [0,1,0,0,0,0|2,0,1]=4 939 B8R0.5 CCNC(=O)C[S+](C)C 527a_100015525214_200159257847 [0,1,0,0,0,0|2,0,1]=4 940 B8R0.5 CCNC(=O)NC(C)C 2708a_100015525214_100138425928 [0,1,0,0,0,0|2,0,1]=4 941 B8R0.5 CCNC(=O)NC(C)C 2708a_100138425928_100015525214 [0,1,0,0,0,0|2,0,1]=4 942 B8R0.5 CCNC(=O)NC(C)C 273464a_100138425928_100015525214 [0,1,0,0,0,0|2,0,1]=4 943 B8R0.5 CCNC(=O)NC(C)C 512a_100015525214_100138425928 [0,1,0,0,0,0|2,0,1]=4 944 B8R0.5 CCNC(=O)NC(C)C 512a_100138425928_100015525214 [0,1,0,0,0,0|2,0,1]=4 945 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000070787_100000188475 [0,1,0,0,0,0|0,0,1]=2 946 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000243816_200000210301 [0,1,0,0,0,0|0,0,1]=2 947 B8R0.5 CCOC(=O)CC(=O)[13CH3] 1458a_100000243816_200025704644 [0,1,0,0,0,0|0,0,1]=2 948 B8R0.5 CCOC(=O)CN(C)C 2230a_100000220588_200000210301 [0,1,0,0,0,0|1,0,1]=3 949 B8R0.5 CCOC(=O)CN(C)C 2230a_100102631434_100000188475 [0,1,0,0,0,0|1,0,1]=3 950 B8R0.5 CCOC(=O)CN(C)C 269982a_100102631434_100000188475 [0,1,0,0,0,0|1,0,1]=3 951 B8R0.5 CCOC(=O)CN(C)[13CH3] 2230a_100000220588_200025704644 [0,1,0,0,0,0|1,0,1]=3 952 B8R0.5 CCOC(C)C=C(C)C 34a_100000717055_100000210202 [0,1,0,0,0,0|1,0,1]=3 953 B8R0.5 CNCC(=O)NC(=O)C 7a_106832991635_100000183797 [0,1,0,0,0,0|3,0,0]=4 954 B8R0.5 CNCC(=O)NC(C)C 2230a_100000168517_200000210301 [0,1,0,0,0,0|2,0,1]=4 955 B8R0.5 CNCC(=O)NC(C)C 2230a_106832991635_100000183996 [0,1,0,0,0,0|2,0,1]=4 956 B8R0.5 CNCC(=O)NC(C)C 34a_100102657272_100000183996 [0,1,0,0,0,0|2,0,1]=4 957 B8R0.5 CNCC(=O)NC(C)C 7a_106832991635_100000183996 [0,1,0,0,0,0|2,0,1]=4 958 B8R0.5 CNCC(=O)OC(C)C 2230a_106832991635_100011215430 [0,1,0,0,0,0|1,0,1]=3 959 B8R0.5 CNCC(=O)OC(C)C 34a_100102657272_100011215430 [0,1,0,0,0,0|1,0,1]=3 960 B8R0.5 CNCC(=O)OC(C)C 7a_106832991635_100011215430 [0,1,0,0,0,0|1,0,1]=3 961 B8R0.5 CNNC(=O)C=C(C)C 22a_100016993582_100000211388 [0,1,0,0,0,0|2,0,0]=3 962 B8R0.5 CNNC(=O)C=C(C)Cl 22a_100016993582_200042562850 [0,1,0,0,0,0|2,0,0]=3 963 B8R0.5 CNNC(=O)CC(C)C 22a_100016993582_100000210554 [0,1,0,0,0,0|3,0,0]=4 964 B8R0.5 CNNC(=O)C[C@@H](C)O 22a_100016993582_100011933948 [0,1,0,0,0,0|3,0,0]=4 965 B8R0.5 CNNC(=O)NC(C)C 273464a_100138425928_100016993582 [0,1,0,0,0,0|3,0,0]=4 966 B8R0.5 CNNC(=O)NC(C)C 512a_100016993582_100138425928 [0,1,0,0,0,0|3,0,0]=4 967 B8R0.5 CNNC(=O)NC(C)C 512a_100138425928_100016993582 [0,1,0,0,0,0|3,0,0]=4 968 B8R0.5 COCC(=O)CC(C)C 1458a_100000210968_100000210624 [0,1,0,0,0,0|2,0,1]=4 969 B8R0.5 COCC(=O)CC(C)O 1458a_100000210968_100011218427 [0,1,0,0,0,0|2,0,1]=4 970 B8R0.5 COCC(=O)NC(C)C 11a_100138425928_100000210968 [0,1,0,0,0,0|2,0,1]=4 971 B8R0.5 COCC(=O)NC(C)C 1626a_100138425928_100000210968 [0,1,0,0,0,0|2,0,1]=4 972 B8R0.5 COCC(=O)NC(C)C 240690a_100138425928_100000210968 [0,1,0,0,0,0|2,0,1]=4 973 B8R0.5 COCC(=O)NC(C)C 34a_100138415774_100000183996 [0,1,0,0,0,0|2,0,1]=4 974 B8R0.5 COCC(=O)NC(C)C 527a_100138425928_100000210968 [0,1,0,0,0,0|2,0,1]=4 975 B8R0.5 COCC(=O)OC(C)C 34a_100138415774_100011215430 [0,1,0,0,0,0|1,0,1]=3 976 B8R0.5 CSCC(=O)CC(C)C 1458a_100000184570_100000210624 [0,1,0,0,0,0|2,0,1]=4 977 B8R0.5 CSCC(=O)CC(C)O 1458a_100000184570_100011218427 [0,1,0,0,0,0|2,0,1]=4 978 B8R0.5 CSCC(=O)NC(=O)C 62a_200000210301_100000183797 [0,1,0,0,0,0|3,0,0]=4 979 B8R0.5 CSCC(=O)NC(C)C 11a_100138425928_100000184570 [0,1,0,0,0,0|2,0,1]=4 980 B8R0.5 CSCC(=O)NC(C)C 1626a_100138425928_100000184570 [0,1,0,0,0,0|2,0,1]=4 981 B8R0.5 CSCC(=O)NC(C)C 240690a_100138425928_100000184570 [0,1,0,0,0,0|2,0,1]=4 982 B8R0.5 CSCC(=O)NC(C)C 527a_100138425928_100000184570 [0,1,0,0,0,0|2,0,1]=4 983 B8R0.5 CSCC(=O)NC(C)C 62a_100000183996_200000210301 [0,1,0,0,0,0|2,0,1]=4 984 B8R0.5 CSCC(=O)NC(C)C 62a_200000210301_100000183996 [0,1,0,0,0,0|2,0,1]=4 985 B8R0.5 CSCC(=O)OC(C)C 62a_100011215430_200000210301 [0,1,0,0,0,0|1,0,1]=3 986 B8R0.5 CSCC(=O)OC(C)C 62a_200000210301_100011215430 [0,1,0,0,0,0|1,0,1]=3 987 B8R0.5 O=C(C=C(Cl)Cl)CCF 1458a_100000137448_100011217306 [0,1,0,0,0,0|3,0,0]=4 988 B8R0.5 O=C(C=C(Cl)Cl)CCO 1458a_100000137448_100000211926 [0,1,0,0,0,0|3,0,0]=4 989 B8R0.5 O=C(C=CBr)CC(F)F 1458a_100016273825_100011934356 [0,1,0,0,0,0|3,0,0]=4 990 B8R0.5 O=C(C=CCl)CC(F)F 1458a_200016279998_100011934356 [0,1,0,0,0,0|3,0,0]=4 991 B8R0.5 O=C(C=CI)CC(F)F 1458a_100016256311_100011934356 [0,1,0,0,0,0|3,0,0]=4 992 B8R0.22 C/C=C/C(CCC)OC 34a_200016264281_200000210301 [0,1,0,0,0,0|1,0,2]=4 993 B8R0.22 C/C=C/C(CCC)OC 7a_200016264281_200000210301 [0,1,0,0,0,0|1,0,2]=4 994 B8R0.22 C/C=C/C(CCC)O[13CH3] 34a_200016264281_200025704644 [0,1,0,0,0,0|1,0,2]=4 995 B8R0.22 C/C=C/C(CCC)O[13CH3] 7a_200016264281_200025704644 [0,1,0,0,0,0|1,0,2]=4 996 B8R1.4 CN1CCNC(=O)C1 2230a_100000184651_200000210301 [0,0,0,1,0,0|2,0,1]=4 997 B8R1.4 CN1CCOC(=O)C1 2230a_100000131268_200000210301 [0,0,0,1,0,0|1,0,1]=3 998 B8R1.4 [13CH3]N1CCNC(=O)C1 2230a_100000184651_200025704644 [0,0,0,1,0,0|2,0,1]=4 999 B8R1.4 [13CH3]N1CCOC(=O)C1 2230a_100000131268_200025704644 [0,0,0,1,0,0|1,0,1]=3 1000 B8R1.8 CC=Cc1ccco1 271570a_100016259895_100009814098 [0,0,0,1,0,0|1,0,2]=4 1001 B8R1.8 CC=Cc1cnco1 271570a_100016259895_100020591547 [0,0,0,1,0,0|2,0,1]=4 1002 B8R1.8 CC=Cc1ncco1 271570a_100016259895_100011787736 [0,0,0,1,0,0|1,0,2]=4 1003 B8R1.8 CCOc1ccsc1 34a_100000106738_100000210202 [0,0,0,1,0,0|2,0,0]=3 1004 B8R1.8 CCOc1ccsc1 7a_100000106738_100000210202 [0,0,0,1,0,0|2,0,0]=3 1005 B8R1.8 CCSc1cc[nH]n1 62a_100000062575_100000210202 [0,0,0,1,0,0|2,1,0]=4 1006 B8R1.8 CCSc1cc[nH]n1 62a_100000210202_100000062575 [0,0,0,1,0,0|2,1,0]=4 1007 B8R1.8 CCSc1ccco1 62a_100000210202_100009814098 [0,0,0,1,0,0|0,1,2]=4 1008 B8R1.8 CCSc1ccco1 62a_100009814098_100000210202 [0,0,0,1,0,0|0,1,2]=4 1009 B8R1.8 CCSc1cccs1 62a_100000210202_100011215356 [0,0,0,1,0,0|0,2,1]=4 1010 B8R1.8 CCSc1cccs1 62a_100011215356_100000210202 [0,0,0,1,0,0|0,2,1]=4 1011 B8R1.8 CCSc1ccoc1 62a_100000210202_100011215275 [0,0,0,1,0,0|2,1,0]=4 1012 B8R1.8 CCSc1ccoc1 62a_100011215275_100000210202 [0,0,0,1,0,0|2,1,0]=4 1013 B8R1.8 CCSc1ccon1 62a_100000210202_100009818083 [0,0,0,1,0,0|2,1,0]=4 1014 B8R1.8 CCSc1ccon1 62a_100009818083_100000210202 [0,0,0,1,0,0|2,1,0]=4 1015 B8R1.8 CCSc1ccsc1 62a_100000210202_100000738268 [0,0,0,1,0,0|2,1,0]=4 1016 B8R1.8 CCSc1ccsc1 62a_100000738268_100000210202 [0,0,0,1,0,0|2,1,0]=4 1017 B8R1.8 CCSc1ccsn1 62a_100000210202_100009818082 [0,0,0,1,0,0|2,1,0]=4 1018 B8R1.8 CCSc1ccsn1 62a_100009818082_100000210202 [0,0,0,1,0,0|2,1,0]=4 1019 B8R1.8 FCOc1ccsc1 34a_100000106738_100015361967 [0,0,0,1,0,0|3,0,0]=4 1020 B8R1.8 FCOc1ccsc1 7a_100000106738_100015361967 [0,0,0,1,0,0|3,0,0]=4 1021 B8R1.11 CCn1nccc1O 271570a_203496583355_100000728327 [0,0,0,1,0,0|2,0,1]=4 1022 B8R1.11 CNC1CCCC1=O 2230a_106832991635_100000211823 [0,0,0,1,0,0|2,0,1]=4 1023 B8R1.11 CNC1CCCC1=O 34a_100102657272_100000709159 [0,0,0,1,0,0|2,0,1]=4 1024 B8R1.11 CNC1CCCC1=O 7a_106832991635_100000211823 [0,0,0,1,0,0|2,0,1]=4 1025 B8R1.11 CNC1CCNC1=O 2230a_100016995588_200000210301 [0,0,0,1,0,0|2,0,1]=4 1026 B8R1.11 CNC1CCNC1=O 34a_100016995588_200000210301 [0,0,0,1,0,0|2,0,1]=4 1027 B8R1.11 CNC1CCOC1=O 2230a_106832991635_100000211211 [0,0,0,1,0,0|1,0,1]=3 1028 B8R1.11 CNC1CCOC1=O 34a_100102657272_100000211211 [0,0,0,1,0,0|1,0,1]=3 1029 B8R1.11 CNC1CCOC1=O 7a_106832991635_100000211211 [0,0,0,1,0,0|1,0,1]=3 1030 B8R1.11 COC1CCCC1=O 34a_100138415774_100000709159 [0,0,0,1,0,0|2,0,1]=4 1031 B8R1.11 COC1CCCC1=O 34a_200000719330_200000210301 [0,0,0,1,0,0|2,0,1]=4 1032 B8R1.11 COC1CCOC1=O 34a_100138415774_100000211211 [0,0,0,1,0,0|1,0,1]=3 1033 B8R1.11 CO[C@H]1CCNC1=O 34a_100000688343_200000210301 [0,0,0,1,0,0|2,0,1]=4 1034 B8R1.11 CSC1CCCC1=O 62a_100000211823_200000210301 [0,0,0,1,0,0|2,0,1]=4 1035 B8R1.11 CSC1CCCC1=O 62a_200000210301_100000211823 [0,0,0,1,0,0|2,0,1]=4 1036 B8R1.11 CSC1CCOC1=O 62a_100000211211_200000210301 [0,0,0,1,0,0|1,0,1]=3 1037 B8R1.11 CSC1CCOC1=O 62a_200000210301_100000211211 [0,0,0,1,0,0|1,0,1]=3 1038 B8R1.11 [13CH3]NC1CCNC1=O 2230a_100016995588_200025704644 [0,0,0,1,0,0|2,0,1]=4 1039 B8R1.11 [13CH3]NC1CCNC1=O 34a_100016995588_200025704644 [0,0,0,1,0,0|2,0,1]=4 1040 B8R1.11 [13CH3]OC1CCCC1=O 34a_200000719330_200025704644 [0,0,0,1,0,0|2,0,1]=4 1041 B8R1.11 [13CH3]O[C@H]1CCNC1=O 34a_100000688343_200025704644 [0,0,0,1,0,0|2,0,1]=4 1042 B8R1.11 [13CH3]SC1CCCC1=O 62a_100000211823_200025704644 [0,0,0,1,0,0|2,0,1]=4 1043 B8R1.11 [13CH3]SC1CCCC1=O 62a_200025704644_100000211823 [0,0,0,1,0,0|2,0,1]=4 1044 B8R1.11 [13CH3]SC1CCOC1=O 62a_100000211211_200025704644 [0,0,0,1,0,0|1,0,1]=3 1045 B8R1.11 [13CH3]SC1CCOC1=O 62a_200025704644_100000211211 [0,0,0,1,0,0|1,0,1]=3 1046 B8R1.18 Cc1cc(nn1C)O 271570a_203496583355_100012001299 [0,0,0,1,0,0|2,0,1]=4 1047 B8R1.18 Cc1cc(sc1C)O 271570a_203496583355_100009850898 [0,0,0,1,0,0|0,1,2]=4 1048 B8R1.37 C=CCC(=O)C1CC1 1458a_100000210395_100000210623 [0,0,0,1,0,0|1,0,2]=4 1049 B8R1.37 CCCC(=O)C1CC1 1458a_100000210395_100000210303 [0,0,0,1,0,0|1,0,2]=4 1050 B8R1.37 CCCC(=O)C1CO1 1458a_100000701028_100000210303 [0,0,0,1,0,0|2,0,1]=4 1051 B8R1.37 CCNC(=O)C1CC1 11a_100015525214_100000210395 [0,0,0,1,0,0|1,0,2]=4 1052 B8R1.37 CCNC(=O)C1CC1 240690a_100015525214_100000210395 [0,0,0,1,0,0|1,0,2]=4 1053 B8R1.37 CCNC(=O)C1CC1 527a_100015525214_100000210395 [0,0,0,1,0,0|1,0,2]=4 1054 B8R1.37 CCNC(=O)C1CO1 11a_100015525214_100000701028 [0,0,0,1,0,0|2,0,1]=4 1055 B8R1.37 CCNC(=O)C1CO1 240690a_100015525214_100000701028 [0,0,0,1,0,0|2,0,1]=4 1056 B8R1.37 CCNC(=O)C1CO1 527a_100015525214_100000701028 [0,0,0,1,0,0|2,0,1]=4 1057 B8R1.37 CNCC(=O)C1CC1 2230a_106832991635_100000746382 [0,0,0,1,0,0|2,0,1]=4 1058 B8R1.37 CNCC(=O)C1CC1 34a_100102657272_100000746382 [0,0,0,1,0,0|2,0,1]=4 1059 B8R1.37 CNCC(=O)C1CC1 7a_106832991635_100000746382 [0,0,0,1,0,0|2,0,1]=4 1060 B8R1.37 CNNC(=O)C1CC1 22a_100016993582_100000210395 [0,0,0,1,0,0|3,0,0]=4 1061 B8R1.37 COCC(=O)C1CC1 34a_100000686663_200000210301 [0,0,0,1,0,0|2,0,1]=4 1062 B8R1.37 COCC(=O)C1CC1 34a_100138415774_100000746382 [0,0,0,1,0,0|2,0,1]=4 1063 B8R1.37 CSCC(=O)C1CC1 62a_100000746382_200000210301 [0,0,0,1,0,0|2,0,1]=4 1064 B8R1.37 CSCC(=O)C1CC1 62a_200000210301_100000746382 [0,0,0,1,0,0|2,0,1]=4 1065 B8R1.37 [13CH3]OCC(=O)C1CC1 34a_100000686663_200025704644 [0,0,0,1,0,0|2,0,1]=4 1066 B8R1.37 [13CH3]SCC(=O)C1CC1 62a_100000746382_200025704644 [0,0,0,1,0,0|2,0,1]=4 1067 B8R1.37 [13CH3]SCC(=O)C1CC1 62a_200025704644_100000746382 [0,0,0,1,0,0|2,0,1]=4 1068 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [2,0,0,0,0,0|0,0,2]=4 1069 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [2,0,0,0,0,0|0,0,2]=4 1070 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [2,0,0,0,0,0|0,0,2]=4 1071 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [2,0,0,0,0,0|0,0,2]=4 1072 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [2,0,0,0,0,0|0,0,2]=4 1073 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [2,0,0,0,0,0|1,0,0]=3 1074 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [2,0,0,0,0,0|1,0,0]=3 1075 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [2,0,0,0,0,0|1,0,0]=3 1076 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [2,0,0,0,0,0|2,0,0]=4 1077 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [2,0,0,0,0,0|2,0,0]=4 1078 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [2,0,0,0,0,0|2,0,0]=4 1079 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [2,0,0,0,0,0|1,0,1]=4 1080 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [2,0,0,0,0,0|0,0,0]=2 1081 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [2,0,0,0,0,0|0,0,0]=2 1082 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [2,0,0,0,0,0|1,0,0]=3 1083 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [2,0,0,0,0,0|1,0,0]=3 1084 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [2,0,0,0,0,0|1,0,0]=3 1085 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [2,0,0,0,0,0|1,0,0]=3 1086 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [2,0,0,0,0,0|1,0,0]=3 1087 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [2,0,0,0,0,0|1,0,0]=3 1088 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [2,0,0,0,0,0|1,0,1]=4 1089 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [2,0,0,0,0,0|1,0,1]=4 1090 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [2,0,0,0,0,0|1,0,1]=4 1091 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [2,0,0,0,0,0|2,0,0]=4 1092 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [2,0,0,0,0,0|1,0,1]=4 1093 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [2,0,0,0,0,0|1,0,1]=4 1094 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [2,0,0,0,0,0|1,0,1]=4 1095 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [2,0,0,0,0,0|1,0,1]=4 1096 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [2,0,0,0,0,0|1,0,1]=4 1097 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [2,0,0,0,0,0|1,0,0]=3 1098 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [2,0,0,0,0,0|1,0,0]=3 1099 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [2,0,0,0,0,0|1,0,0]=3 1100 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [2,0,0,0,0,0|2,0,0]=4 1101 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [2,0,0,0,0,0|1,0,1]=4 1102 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [2,0,0,0,0,0|1,0,1]=4 1103 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [2,0,0,0,0,0|1,0,1]=4 1104 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [2,0,0,0,0,0|0,0,1]=3 1105 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [2,0,0,0,0,0|0,0,1]=3 1106 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [2,0,0,0,0,0|0,0,1]=3 1107 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [2,0,0,0,0,0|0,1,1]=4 1108 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [2,0,0,0,0,0|0,1,1]=4 1109 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [2,0,0,0,0,0|0,1,1]=4 1110 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [2,0,0,0,0,0|0,1,1]=4 1111 B5R0.2 C=CCNCC 2230a_100015525214_100000210623 [2,0,0,0,0,0|1,0,1]=4 1112 B5R0.2 C=CCNCC 2230a_100020586998_100000210202 [2,0,0,0,0,0|1,0,1]=4 1113 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [2,0,0,0,0,0|0,0,1]=3 1114 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [2,0,0,0,0,0|0,0,1]=3 1115 B5R0.2 C=CCOCF 34a_200000210373_100015361967 [2,0,0,0,0,0|1,0,1]=4 1116 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [2,0,0,0,0,0|0,1,1]=4 1117 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [2,0,0,0,0,0|0,1,1]=4 1118 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [2,0,0,0,0,0|1,0,1]=4 1119 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [2,0,0,0,0,0|1,0,1]=4 1120 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [2,0,0,0,0,0|1,0,1]=4 1121 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [2,0,0,0,0,0|0,0,1]=3 1122 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [2,0,0,0,0,0|0,1,1]=4 1123 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [2,0,0,0,0,0|0,1,1]=4 1124 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [2,0,0,0,0,0|0,1,1]=4 1125 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [2,0,0,0,0,0|0,1,1]=4 1126 B5R0.2 CC=NNCC 4a_100000756455_200000210099 [2,0,0,0,0,0|2,0,0]=4 1127 B5R0.2 CCCOCC 34a_100000210258_100000210202 [2,0,0,0,0,0|0,0,2]=4 1128 B5R0.2 CCCOCC 34a_100121572206_100000210303 [2,0,0,0,0,0|0,0,2]=4 1129 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [2,0,0,0,0,0|1,0,1]=4 1130 B5R0.2 CCOCSC 34a_100121572206_100011218213 [2,0,0,0,0,0|1,0,1]=4 1131 B5R0.2 CCOCSC 62a_100000739092_200000210301 [2,0,0,0,0,0|1,0,1]=4 1132 B5R0.2 CCOCSC 62a_200000210301_100000739092 [2,0,0,0,0,0|1,0,1]=4 1133 B5R0.2 CCOCS[13CH3] 62a_100000739092_200025704644 [2,0,0,0,0,0|1,0,1]=4 1134 B5R0.2 CCOCS[13CH3] 62a_200025704644_100000739092 [2,0,0,0,0,0|1,0,1]=4 1135 B5R0.3 C#CC(=O)CC 1458a_100000211873_100000210202 [2,0,0,0,0,0|0,0,2]=4 1136 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [2,0,0,0,0,0|0,0,0]=2 1137 B5R0.3 C=CC(=O)CF 1458a_100000185746_100015361967 [2,0,0,0,0,0|1,0,0]=3 1138 B5R0.3 C=CC(=O)NC 1626a_100102657272_100000185746 [2,0,0,0,0,0|1,0,0]=3 1139 B5R0.3 C=CC(=O)NC 240690a_100102657272_200121576911 [2,0,0,0,0,0|1,0,0]=3 1140 B5R0.3 C=CC(C)OC 34a_100000695699_200000210301 [2,0,0,0,0,0|1,0,1]=4 1141 B5R0.3 C=CC(C)O[13CH3] 34a_100000695699_200025704644 [2,0,0,0,0,0|1,0,1]=4 1142 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [2,0,0,0,0,0|0,0,1]=3 1143 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [2,0,0,0,0,0|1,0,1]=4 1144 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [2,0,0,0,0,0|1,0,1]=4 1145 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [2,0,0,0,0,0|1,0,0]=3 1146 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [2,0,0,0,0,0|1,0,0]=3 1147 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [2,0,0,0,0,0|1,0,0]=3 1148 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [2,0,0,0,0,0|1,0,0]=3 1149 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [2,0,0,0,0,0|2,0,0]=4 1150 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [2,0,0,0,0,0|2,0,0]=4 1151 B5R0.3 CNC(=O)NC 2708a_100102657272_106832991635 [2,0,0,0,0,0|2,0,0]=4 1152 B5R0.3 CNC(=O)NC 273464a_100102657272_100102657272 [2,0,0,0,0,0|2,0,0]=4 1153 B5R0.3 CNC(=O)NC 512a_106832991638_100102657272 [2,0,0,0,0,0|2,0,0]=4 1154 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [1,1,0,0,0,0|0,0,1]=3 1155 B7R0.2 C=C(C)CC(=O)CO 1458a_100000210174_100000748629 [1,1,0,0,0,0|1,0,1]=4 1156 B7R0.2 C=C(F)CC(=O)CC 1458a_100000210414_100009893438 [1,1,0,0,0,0|0,0,2]=4 1157 B7R0.2 C=CC(=O)CC(=C)C 1458a_100000185746_100000748629 [1,1,0,0,0,0|1,0,1]=4 1158 B7R0.2 C=CC(=O)CC(C)C 1458a_100000185746_100000210624 [1,1,0,0,0,0|1,0,0]=3 1159 B7R0.2 C=CC(=O)CC(C)O 1458a_100000185746_100011218427 [1,1,0,0,0,0|1,0,0]=3 1160 B7R0.2 C=CC(=O)CC(F)F 1458a_100000185746_100011934356 [1,1,0,0,0,0|2,0,0]=4 1161 B7R0.2 C=CC(=O)NC(C)C 1626a_100138425928_100000185746 [1,1,0,0,0,0|1,0,0]=3 1162 B7R0.2 C=CC(=O)NC(C)C 240690a_100138425928_200121576911 [1,1,0,0,0,0|1,0,0]=3 1163 B7R0.2 C=CC(C)OC(C)C 34a_100000695699_100000210206 [1,1,0,0,0,0|1,0,1]=4 1164 B7R0.2 CC(=CC(=O)CF)C 1458a_100000211388_100015361967 [1,1,0,0,0,0|1,0,0]=3 1165 B7R0.2 CC(=CC(=O)CF)Cl 1458a_200042562850_100015361967 [1,1,0,0,0,0|1,0,0]=3 1166 B7R0.2 CC(=CC(=O)CF)I 1458a_100025716642_100015361967 [1,1,0,0,0,0|1,0,0]=3 1167 B7R0.2 CC(=CC(C)O[13CH3])C 34a_100000717055_200025704644 [1,1,0,0,0,0|1,0,1]=4 1168 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [1,1,0,0,0,0|1,0,0]=3 1169 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [1,1,0,0,0,0|1,0,0]=3 1170 B7R0.2 CCC(=O)C=C(C)C 1458a_100000211388_100000210202 [1,1,0,0,0,0|0,0,0]=2 1171 B7R0.2 CCC(=O)C=C(C)Cl 1458a_200042562850_100000210202 [1,1,0,0,0,0|0,0,0]=2 1172 B7R0.2 CCC(=O)C=C(C)I 1458a_100025716642_100000210202 [1,1,0,0,0,0|0,0,0]=2 1173 B7R0.2 CCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210202 [1,1,0,0,0,0|1,0,0]=3 1174 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [1,1,0,0,0,0|0,0,1]=3 1175 B7R0.2 CCC(=O)CC(=O)N 1458a_100000210414_100000187820 [1,1,0,0,0,0|1,0,1]=4 1176 B7R0.2 CCC(=O)CC(=O)N 1458a_100134613110_100000210202 [1,1,0,0,0,0|1,0,1]=4 1177 B7R0.2 CCC(=O)CC(=O)[O-] 1458a_100000210414_100020667443 [1,1,0,0,0,0|1,0,1]=4 1178 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [1,1,0,0,0,0|0,0,2]=4 1179 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [1,1,0,0,0,0|0,0,2]=4 1180 B7R0.2 CCC(=O)CC(C)O 1458a_100000210414_100011218427 [1,1,0,0,0,0|0,0,2]=4 1181 B7R0.2 CCC(=O)CN(C)C 1458a_100000750896_100000210202 [1,1,0,0,0,0|1,0,1]=4 1182 B7R0.2 CCC(=O)CN(C)C 269982a_100102631434_100000747405 [1,1,0,0,0,0|1,0,1]=4 1183 B7R0.2 CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210202 [1,1,0,0,0,0|0,0,2]=4 1184 B7R0.2 CCC(=O)C[S+](C)C 1458a_200159257847_100000210202 [1,1,0,0,0,0|1,0,1]=4 1185 B7R0.2 CCC(=O)NC(C)C 11a_100138425928_100000210414 [1,1,0,0,0,0|1,0,1]=4 1186 B7R0.2 CCC(=O)NC(C)C 1626a_100138425928_100000210414 [1,1,0,0,0,0|1,0,1]=4 1187 B7R0.2 CCC(=O)NC(C)C 240690a_100138425928_100000210414 [1,1,0,0,0,0|1,0,1]=4 1188 B7R0.2 CCC(=O)NC(C)C 527a_100138425928_100000210414 [1,1,0,0,0,0|1,0,1]=4 1189 B7R0.2 CNC(=O)C=C(C)C 11a_106832991635_100000211388 [1,1,0,0,0,0|1,0,0]=3 1190 B7R0.2 CNC(=O)C=C(C)C 1626a_100102657272_100000211388 [1,1,0,0,0,0|1,0,0]=3 1191 B7R0.2 CNC(=O)C=C(C)C 240690a_100102657272_100000211388 [1,1,0,0,0,0|1,0,0]=3 1192 B7R0.2 CNC(=O)C=C(C)Cl 11a_106832991635_200042562850 [1,1,0,0,0,0|1,0,0]=3 1193 B7R0.2 CNC(=O)C=C(C)Cl 1626a_100102657272_200042562850 [1,1,0,0,0,0|1,0,0]=3 1194 B7R0.2 CNC(=O)C=C(C)Cl 240690a_100102657272_200042562850 [1,1,0,0,0,0|1,0,0]=3 1195 B7R0.2 CNC(=O)C=C(C)I 11a_106832991635_100025716642 [1,1,0,0,0,0|1,0,0]=3 1196 B7R0.2 CNC(=O)C=C(C)I 1626a_100102657272_100025716642 [1,1,0,0,0,0|1,0,0]=3 1197 B7R0.2 CNC(=O)C=C(Cl)Cl 1626a_100102657272_100000137448 [1,1,0,0,0,0|2,0,0]=4 1198 B7R0.2 CNC(=O)C=C(Cl)Cl 240690a_100102657272_100000137448 [1,1,0,0,0,0|2,0,0]=4 1199 B7R0.2 CNC(=O)CC(=O)C 1458a_100000070787_100000183359 [1,1,0,0,0,0|1,0,1]=4 1200 B7R0.2 CNC(=O)CC(C)C 11a_106832991635_100000210554 [1,1,0,0,0,0|2,0,0]=4 1201 B7R0.2 CNC(=O)CC(C)C 1626a_100102657272_100000210554 [1,1,0,0,0,0|2,0,0]=4 1202 B7R0.2 CNC(=O)CC(C)C 240690a_100102657272_100000210554 [1,1,0,0,0,0|2,0,0]=4 1203 B7R0.2 CNC(=O)CC(C)C 527a_100102657272_100000210554 [1,1,0,0,0,0|2,0,0]=4 1204 B7R0.2 CNC(=O)C[C@@H](C)O 240690a_100102657272_100011933948 [1,1,0,0,0,0|2,0,0]=4 1205 B7R0.2 CNC(=O)NC(C)C 2708a_100102657272_100138425928 [1,1,0,0,0,0|2,0,0]=4 1206 B7R0.2 CNC(=O)NC(C)C 2708a_100138425928_106832991635 [1,1,0,0,0,0|2,0,0]=4 1207 B7R0.2 CNC(=O)NC(C)C 273464a_100138425928_100102657272 [1,1,0,0,0,0|2,0,0]=4 1208 B7R0.2 CNC(=O)NC(C)C 512a_100138425928_100102657272 [1,1,0,0,0,0|2,0,0]=4 1209 B7R0.2 CNC(=O)NC(C)C 512a_106832991638_100138425928 [1,1,0,0,0,0|2,0,0]=4 1210 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [1,1,0,0,0,0|0,0,1]=3 1211 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [1,1,0,0,0,0|0,0,1]=3 1212 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [1,1,0,0,0,0|0,0,1]=3 1213 B7R0.2 COC(=O)CN(C)C 2230a_100000198492_200000210301 [1,1,0,0,0,0|1,0,1]=4 1214 B7R0.2 COC(=O)CN(C)C 2230a_100102631434_100000747449 [1,1,0,0,0,0|1,0,1]=4 1215 B7R0.2 COC(=O)CN(C)C 269982a_100102631434_100000747449 [1,1,0,0,0,0|1,0,1]=4 1216 B7R0.2 COC(=O)CN(C)[13CH3] 2230a_100000198492_200025704644 [1,1,0,0,0,0|1,0,1]=4 1217 B7R0.2 COC(C)C=C(C)C 34a_100000717055_200000210301 [1,1,0,0,0,0|1,0,1]=4 1218 B7R0.2 O=C(C=C(Cl)Cl)CF 1458a_100000137448_100015361967 [1,1,0,0,0,0|2,0,0]=4 1219 B7R0.3 C#CC(=O)C/C=C/C 1458a_100000211873_100102629194 [1,1,0,0,0,0|0,0,2]=4 1220 B7R0.3 C#CC(=O)CC=CC 1458a_100000211873_100000070051 [1,1,0,0,0,0|0,0,2]=4 1221 B7R0.3 C#CCCC(=O)C=C 1458a_100000185746_100000753159 [1,1,0,0,0,0|1,0,1]=4 1222 B7R0.3 C#CCNC(=O)C=C 1626a_100000212058_100000185746 [1,1,0,0,0,0|1,0,1]=4 1223 B7R0.3 C#CCNC(=O)C=C 240690a_100000212058_200121576911 [1,1,0,0,0,0|1,0,1]=4 1224 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [1,1,0,0,0,0|0,0,0]=2 1225 B7R0.3 C/C=C/CC(=O)CO 1458a_100000210174_100102629194 [1,1,0,0,0,0|1,0,0]=3 1226 B7R0.3 C/C=C/CN(C)CC 269982a_100000225621_100102629194 [1,1,0,0,0,0|2,0,0]=4 1227 B7R0.3 C=CC(=NNCC)C 4a_100000756455_200015361842 [1,1,0,0,0,0|2,0,0]=4 1228 B7R0.3 C=CC(=O)C/C=C/C 1458a_100000185746_100102629194 [1,1,0,0,0,0|0,0,2]=4 1229 B7R0.3 C=CC(=O)CC#CC 1458a_100000185746_100000748600 [1,1,0,0,0,0|1,0,1]=4 1230 B7R0.3 C=CC(=O)CC=CC 1458a_100000185746_100000070051 [1,1,0,0,0,0|0,0,2]=4 1231 B7R0.3 C=CC(=O)CCC#N 1458a_100000185746_100011215226 [1,1,0,0,0,0|1,0,1]=4 1232 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [1,1,0,0,0,0|1,0,0]=3 1233 B7R0.3 C=CC(=O)CCCF 1458a_100000185746_100011934791 [1,1,0,0,0,0|1,0,0]=3 1234 B7R0.3 C=CC(=O)CCCO 1458a_100000185746_100011215043 [1,1,0,0,0,0|1,0,0]=3 1235 B7R0.3 C=CC(=O)CCOC 1458a_100000185746_100000233755 [1,1,0,0,0,0|1,0,0]=3 1236 B7R0.3 C=CC(=O)CCSC 1458a_100000185746_100000751147 [1,1,0,0,0,0|1,0,0]=3 1237 B7R0.3 C=CC(=O)NCC#N 1626a_100000734998_100000185746 [1,1,0,0,0,0|1,0,1]=4 1238 B7R0.3 C=CC(=O)NCCC 1626a_100020643023_100000185746 [1,1,0,0,0,0|1,0,0]=3 1239 B7R0.3 C=CC(=O)NCCC 240690a_100020643023_200121576911 [1,1,0,0,0,0|1,0,0]=3 1240 B7R0.3 C=CC(=O)NCCF 1626a_100000724931_100000185746 [1,1,0,0,0,0|1,0,0]=3 1241 B7R0.3 C=CC(=O)NCCF 240690a_100000724931_200121576911 [1,1,0,0,0,0|1,0,0]=3 1242 B7R0.3 C=CC(=O)NCCO 240690a_100000210304_200121576911 [1,1,0,0,0,0|1,0,0]=3 1243 B7R0.3 C=CC(=O)NNCC 22a_100000756455_100000185746 [1,1,0,0,0,0|1,0,0]=3 1244 B7R0.3 C=CC(C)COCC 34a_100011215527_100000210202 [1,1,0,0,0,0|1,0,1]=4 1245 B7R0.3 C=CC(C)COCC 7a_100011215527_100000210202 [1,1,0,0,0,0|1,0,1]=4 1246 B7R0.3 C=CC(C)OCCC 34a_100000695699_100000210303 [1,1,0,0,0,0|1,0,1]=4 1247 B7R0.3 C=CC(C)OCCF 34a_100000695699_100011217306 [1,1,0,0,0,0|1,0,1]=4 1248 B7R0.3 C=CC(C)OCCO 34a_100000695699_100000211926 [1,1,0,0,0,0|1,0,1]=4 1249 B7R0.3 C=CC(C)OCSC 34a_100000695699_100011218213 [1,1,0,0,0,0|1,0,1]=4 1250 B7R0.3 C=CC(O)COCC 34a_100121572206_100000730141 [1,1,0,0,0,0|0,0,2]=4 1251 B7R0.3 C=CC=CC(=O)CC 1458a_100016291481_100000210202 [1,1,0,0,0,0|0,0,1]=3 1252 B7R0.3 C=CC=CC(=O)CF 1458a_100016291481_100015361967 [1,1,0,0,0,0|1,0,1]=4 1253 B7R0.3 C=CC=CC(=O)NC 1626a_100102657272_100016291481 [1,1,0,0,0,0|1,0,1]=4 1254 B7R0.3 C=CCCC(=O)C=C 1458a_100000185746_100000754431 [1,1,0,0,0,0|1,0,1]=4 1255 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [1,1,0,0,0,0|0,0,2]=4 1256 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [1,1,0,0,0,0|0,0,2]=4 1257 B7R0.3 C=CCNC(=O)C=C 1626a_100020586998_100000185746 [1,1,0,0,0,0|1,0,1]=4 1258 B7R0.3 C=CCNC(=O)C=C 240690a_100020586998_200121576911 [1,1,0,0,0,0|1,0,1]=4 1259 B7R0.3 C=CCNC(=O)CC 1626a_100020586998_100000210414 [1,1,0,0,0,0|0,0,2]=4 1260 B7R0.3 C=CCNC(=O)CC 240690a_100020586998_100000210414 [1,1,0,0,0,0|0,0,2]=4 1261 B7R0.3 C=CCNC(=O)CC 527a_100020586998_100000210414 [1,1,0,0,0,0|0,0,2]=4 1262 B7R0.3 C=C[C@H](N)COCC 34a_100016989147_100000210202 [1,1,0,0,0,0|1,0,1]=4 1263 B7R0.3 CC#CCC(=O)CC 1458a_100000210414_100000748600 [1,1,0,0,0,0|0,0,2]=4 1264 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [1,1,0,0,0,0|0,0,0]=2 1265 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [1,1,0,0,0,0|0,0,0]=2 1266 B7R0.3 CC=CCC(=O)CF 1458a_100121576822_100015361967 [1,1,0,0,0,0|1,0,0]=3 1267 B7R0.3 CC=CCC(=O)CO 1458a_100000210174_100000070051 [1,1,0,0,0,0|1,0,0]=3 1268 B7R0.3 CC=CCC(=O)NC 11a_106832991635_100121576822 [1,1,0,0,0,0|1,0,0]=3 1269 B7R0.3 CC=CCC(=O)NC 1626a_100102657272_100121576822 [1,1,0,0,0,0|1,0,0]=3 1270 B7R0.3 CC=CCC(=O)NC 240690a_100102657272_100121576822 [1,1,0,0,0,0|1,0,0]=3 1271 B7R0.3 CC=CCC(=O)NC 527a_100102657272_100121576822 [1,1,0,0,0,0|1,0,0]=3 1272 B7R0.3 CC=CCN(C)CC 2230a_100000225621_100000070051 [1,1,0,0,0,0|2,0,0]=4 1273 B7R0.3 CC=NNC(=O)CC 4a_100000183195_200000210099 [1,1,0,0,0,0|1,0,0]=3 1274 B7R0.3 CCC#CC(=O)CC 1458a_100011827653_100000210202 [1,1,0,0,0,0|0,0,2]=4 1275 B7R0.3 CCC(=O)C#CCO 1458a_100000049017_100000210202 [1,1,0,0,0,0|0,0,2]=4 1276 B7R0.3 CCC(=O)C=COC 1458a_100016268678_100000210202 [1,1,0,0,0,0|0,0,0]=2 1277 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [1,1,0,0,0,0|0,0,2]=4 1278 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [1,1,0,0,0,0|0,0,2]=4 1279 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [1,1,0,0,0,0|0,0,2]=4 1280 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [1,1,0,0,0,0|0,0,2]=4 1281 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [1,1,0,0,0,0|0,0,2]=4 1282 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [1,1,0,0,0,0|0,0,2]=4 1283 B7R0.3 CCC(=O)COCF 34a_100000725409_100015361967 [1,1,0,0,0,0|1,0,1]=4 1284 B7R0.3 CCC(=O)CSCF 62a_100000747405_100015361967 [1,1,0,0,0,0|1,0,1]=4 1285 B7R0.3 CCC(=O)CSCF 62a_100015361967_100000747405 [1,1,0,0,0,0|1,0,1]=4 1286 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [1,1,0,0,0,0|1,0,1]=4 1287 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [1,1,0,0,0,0|1,0,1]=4 1288 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [1,1,0,0,0,0|1,0,1]=4 1289 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [1,1,0,0,0,0|1,0,1]=4 1290 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [1,1,0,0,0,0|1,0,1]=4 1291 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [1,1,0,0,0,0|1,0,1]=4 1292 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [1,1,0,0,0,0|0,0,0]=2 1293 B7R0.3 CCC=CC(=O)CF 1458a_100000212282_100015361967 [1,1,0,0,0,0|1,0,0]=3 1294 B7R0.3 CCC=CC(=O)NC 11a_106832991635_100000212282 [1,1,0,0,0,0|1,0,0]=3 1295 B7R0.3 CCC=CC(=O)NC 1626a_100102657272_100000212282 [1,1,0,0,0,0|1,0,0]=3 1296 B7R0.3 CCC=CC(=O)NC 240690a_100102657272_100000212282 [1,1,0,0,0,0|1,0,0]=3 1297 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [1,1,0,0,0,0|0,0,2]=4 1298 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [1,1,0,0,0,0|0,0,2]=4 1299 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [1,1,0,0,0,0|2,0,0]=4 1300 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [1,1,0,0,0,0|2,0,0]=4 1301 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [1,1,0,0,0,0|2,0,0]=4 1302 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [1,1,0,0,0,0|2,0,0]=4 1303 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [1,1,0,0,0,0|0,0,2]=4 1304 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [1,1,0,0,0,0|0,0,2]=4 1305 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [1,1,0,0,0,0|0,0,2]=4 1306 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [1,1,0,0,0,0|0,0,2]=4 1307 B7R0.3 CCCNC(=O)NC 2708a_100020643023_106832991635 [1,1,0,0,0,0|2,0,0]=4 1308 B7R0.3 CCCNC(=O)NC 2708a_100102657272_100020643023 [1,1,0,0,0,0|2,0,0]=4 1309 B7R0.3 CCCNC(=O)NC 273464a_100020643023_100102657272 [1,1,0,0,0,0|2,0,0]=4 1310 B7R0.3 CCCNC(=O)NC 273464a_100102657272_100020643023 [1,1,0,0,0,0|2,0,0]=4 1311 B7R0.3 CCCNC(=O)NC 512a_100020643023_100102657272 [1,1,0,0,0,0|2,0,0]=4 1312 B7R0.3 CCCNC(=O)NC 512a_106832991638_100020643023 [1,1,0,0,0,0|2,0,0]=4 1313 B7R0.3 CCNCC(=O)NC 2230a_100000693194_100000210202 [1,1,0,0,0,0|2,0,0]=4 1314 B7R0.3 CCNCC(=O)NC 2230a_100015525214_100000183359 [1,1,0,0,0,0|2,0,0]=4 1315 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [1,1,0,0,0,0|0,0,2]=4 1316 B7R0.3 CCNNC(=O)CC 22a_100000756455_100000210414 [1,1,0,0,0,0|1,0,1]=4 1317 B7R0.3 CCNNC(=O)NC 273464a_100102657272_100000756455 [1,1,0,0,0,0|2,0,0]=4 1318 B7R0.3 CCNNC(=O)NC 512a_100000756455_100102657272 [1,1,0,0,0,0|2,0,0]=4 1319 B7R0.3 CCNNC(=O)NC 512a_106832991638_100000756455 [1,1,0,0,0,0|2,0,0]=4 1320 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [1,1,0,0,0,0|0,0,1]=3 1321 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [1,1,0,0,0,0|0,0,1]=3 1322 B7R0.3 CCOCC(=O)CF 1458a_100000211967_100015361967 [1,1,0,0,0,0|1,0,1]=4 1323 B7R0.3 CCOCC(=O)NC 11a_106832991635_100000211967 [1,1,0,0,0,0|1,0,0]=3 1324 B7R0.3 CCOCC(=O)NC 1626a_100102657272_100000211967 [1,1,0,0,0,0|1,0,0]=3 1325 B7R0.3 CCOCC(=O)NC 240690a_100102657272_100000211967 [1,1,0,0,0,0|1,0,0]=3 1326 B7R0.3 CCOCC(=O)NC 34a_100000750040_100000210202 [1,1,0,0,0,0|1,0,0]=3 1327 B7R0.3 CCOCC(=O)NC 34a_100121572206_100000183359 [1,1,0,0,0,0|1,0,0]=3 1328 B7R0.3 CCOCC(=O)NC 527a_100102657272_100000211967 [1,1,0,0,0,0|1,0,0]=3 1329 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [1,1,0,0,0,0|1,0,0]=3 1330 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [1,1,0,0,0,0|0,0,2]=4 1331 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [1,1,0,0,0,0|0,0,2]=4 1332 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [1,1,0,0,0,0|0,0,2]=4 1333 B7R0.3 CCSCC(=O)NC 11a_106832991635_100000230394 [1,1,0,0,0,0|1,1,0]=4 1334 B7R0.3 CCSCC(=O)NC 1626a_100102657272_100000230394 [1,1,0,0,0,0|1,1,0]=4 1335 B7R0.3 CCSCC(=O)NC 240690a_100102657272_100000230394 [1,1,0,0,0,0|1,1,0]=4 1336 B7R0.3 CCSCC(=O)NC 527a_100102657272_100000230394 [1,1,0,0,0,0|1,1,0]=4 1337 B7R0.3 CCSCC(=O)NC 62a_100000183359_100000210202 [1,1,0,0,0,0|1,1,0]=4 1338 B7R0.3 CCSCC(=O)NC 62a_100000210202_100000183359 [1,1,0,0,0,0|1,1,0]=4 1339 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [1,1,0,0,0,0|0,0,2]=4 1340 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [1,1,0,0,0,0|0,0,2]=4 1341 B7R0.3 CNC(=O)C=COC 1626a_100102657272_100016268678 [1,1,0,0,0,0|1,0,0]=3 1342 B7R0.3 CNC(=O)C=COC 240690a_100102657272_100016268678 [1,1,0,0,0,0|1,0,0]=3 1343 B7R0.3 CNC(=O)CCN[13CH3] 2230a_100000738227_200025704644 [1,1,0,0,0,0|2,0,0]=4 1344 B7R0.3 CNC(=O)CCN[13CH3] 34a_100000738227_200025704644 [1,1,0,0,0,0|2,0,0]=4 1345 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [1,1,0,0,0,0|2,0,0]=4 1346 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [1,1,0,0,0,0|2,0,0]=4 1347 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [1,1,0,0,0,0|2,0,0]=4 1348 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [1,1,0,0,0,0|2,0,0]=4 1349 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [1,1,0,0,0,0|2,0,0]=4 1350 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [1,1,0,0,0,0|2,0,0]=4 1351 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [1,1,0,0,0,0|2,0,0]=4 1352 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [1,1,0,0,0,0|2,0,0]=4 1353 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [1,1,0,0,0,0|2,0,0]=4 1354 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [1,1,0,0,0,0|2,0,0]=4 1355 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [1,1,0,0,0,0|2,0,0]=4 1356 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [1,1,0,0,0,0|2,0,0]=4 1357 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [1,1,0,0,0,0|2,0,0]=4 1358 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [1,1,0,0,0,0|2,0,0]=4 1359 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [1,1,0,0,0,0|2,0,0]=4 1360 B7R0.3 CNC(=O)COCF 34a_100000750040_100015361967 [1,1,0,0,0,0|2,0,0]=4 1361 B7R0.3 CNC(=O)NCCF 2708a_100102657272_100000724931 [1,1,0,0,0,0|2,0,0]=4 1362 B7R0.3 CNC(=O)NCCF 273464a_100000724931_100102657272 [1,1,0,0,0,0|2,0,0]=4 1363 B7R0.3 CNC(=O)NCCF 273464a_100102657272_100000724931 [1,1,0,0,0,0|2,0,0]=4 1364 B7R0.3 CNC(=O)NCCF 512a_106832991638_100000724931 [1,1,0,0,0,0|2,0,0]=4 1365 B7R0.3 CNC(=O)NCCO 2708a_100102657272_100000210304 [1,1,0,0,0,0|2,0,0]=4 1366 B7R0.3 CNC(=O)NCCO 273464a_100000210304_100102657272 [1,1,0,0,0,0|2,0,0]=4 1367 B7R0.3 CNC(=O)NCCO 273464a_100102657272_100000210304 [1,1,0,0,0,0|2,0,0]=4 1368 B7R0.3 CNC(=O)NCCO 512a_106832991638_100000210304 [1,1,0,0,0,0|2,0,0]=4 1369 B7R0.3 CNCCC(=O)NC 2230a_100000738227_200000210301 [1,1,0,0,0,0|2,0,0]=4 1370 B7R0.3 CNCCC(=O)NC 2230a_106832991635_100000737683 [1,1,0,0,0,0|2,0,0]=4 1371 B7R0.3 CNCCC(=O)NC 34a_100000738227_200000210301 [1,1,0,0,0,0|2,0,0]=4 1372 B7R0.3 CNCCC(=O)NC 34a_100102657272_100012179268 [1,1,0,0,0,0|2,0,0]=4 1373 B7R0.3 CNCCC(=O)NC 7a_106832991635_100000737683 [1,1,0,0,0,0|2,0,0]=4 1374 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [1,1,0,0,0,0|0,0,2]=4 1375 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [1,1,0,0,0,0|0,0,2]=4 1376 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [1,1,0,0,0,0|0,0,2]=4 1377 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [1,1,0,0,0,0|0,0,2]=4 1378 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [1,1,0,0,0,0|0,0,2]=4 1379 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [1,1,0,0,0,0|0,0,2]=4 1380 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [1,1,0,0,0,0|0,0,2]=4 1381 B7R0.3 COC(=O)CSCF 62a_100000747449_100015361967 [1,1,0,0,0,0|1,0,1]=4 1382 B7R0.3 COC(=O)CSCF 62a_100015361967_100000747449 [1,1,0,0,0,0|1,0,1]=4 1383 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [1,1,0,0,0,0|1,0,0]=3 1384 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [1,1,0,0,0,0|1,0,0]=3 1385 B7R0.3 COC=CC(=O)CF 1458a_100016268678_100015361967 [1,1,0,0,0,0|1,0,0]=3 1386 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [1,1,0,0,0,0|0,0,2]=4 1387 B7R0.5 C=C(Br)C(=O)NCC 11a_100015525214_100009813364 [1,1,0,0,0,0|1,0,0]=3 1388 B7R0.5 C=C(C)C(=O)CCC 1458a_100000185857_100000210303 [1,1,0,0,0,0|1,0,0]=3 1389 B7R0.5 C=C(C)C(=O)CCF 1458a_100000185857_100011217306 [1,1,0,0,0,0|2,0,0]=4 1390 B7R0.5 C=C(C)C(=O)CCO 1458a_100000185857_100000211926 [1,1,0,0,0,0|2,0,0]=4 1391 B7R0.5 C=C(C)C(=O)NCC 11a_100015525214_100000185857 [1,1,0,0,0,0|1,0,0]=3 1392 B7R0.5 C=C(C)C(=O)NNC 22a_100016993582_100000185857 [1,1,0,0,0,0|2,0,0]=4 1393 B7R0.5 C=C(Cl)C(=O)NCC 11a_100015525214_100000039160 [1,1,0,0,0,0|1,0,0]=3 1394 B7R0.5 C=C(Cl)C(=O)NNC 22a_100016993582_100000039160 [1,1,0,0,0,0|2,0,0]=4 1395 B7R0.5 C=C(F)C(=O)NCC 11a_100015525214_100000036797 [1,1,0,0,0,0|1,0,0]=3 1396 B7R0.5 C=C(F)C(=O)NNC 22a_100016993582_100000036797 [1,1,0,0,0,0|2,0,0]=4 1397 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210193_100000210206 [1,1,0,0,0,0|0,0,2]=4 1398 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210198_100000210623 [1,1,0,0,0,0|0,0,2]=4 1399 B7R0.5 C=CCC(=O)C(C)F 1458a_100000062450_100000210623 [1,1,0,0,0,0|0,0,2]=4 1400 B7R0.5 C=CCC(=O)[C@@H](C)O 1458a_100000717761_100000210623 [1,1,0,0,0,0|0,0,2]=4 1401 B7R0.5 C=CCC(=O)[C@H](C)O 1458a_217856618621_100000210623 [1,1,0,0,0,0|0,0,2]=4 1402 B7R0.5 CC#CC(=O)C(C)C 1458a_100000763181_100000210206 [1,1,0,0,0,0|0,0,2]=4 1403 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_100011261029_200025704644 [1,1,0,0,0,0|2,0,0]=4 1404 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_200025704644_100011261029 [1,1,0,0,0,0|2,0,0]=4 1405 B7R0.5 CC(C)C(=O)C=CBr 1458a_100016273825_100000210206 [1,1,0,0,0,0|1,0,0]=3 1406 B7R0.5 CC(C)C(=O)C=CCl 1458a_200016279998_100000210206 [1,1,0,0,0,0|1,0,0]=3 1407 B7R0.5 CC(C)C(=O)C=CI 1458a_100016256311_100000210206 [1,1,0,0,0,0|1,0,0]=3 1408 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_100000753385_200025704644 [1,1,0,0,0,0|1,0,1]=4 1409 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_200025704644_100000753385 [1,1,0,0,0,0|1,0,1]=4 1410 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [1,1,0,0,0,0|2,0,0]=4 1411 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [1,1,0,0,0,0|2,0,0]=4 1412 B7R0.5 CC=CC(=O)C(C)C 1458a_100000210699_100000210206 [1,1,0,0,0,0|0,0,0]=2 1413 B7R0.5 CC=CC(=O)N(C)C 11a_100102631434_100000210699 [1,1,0,0,0,0|1,0,0]=3 1414 B7R0.5 CC=CC(=O)N(C)C 1626a_100102631434_100000210699 [1,1,0,0,0,0|1,0,0]=3 1415 B7R0.5 CC=CC(=O)N(C)C 240690a_100102631434_100000210699 [1,1,0,0,0,0|1,0,0]=3 1416 B7R0.5 CCCC(=O)C(C)C 1458a_100000210198_100000210303 [1,1,0,0,0,0|0,0,2]=4 1417 B7R0.5 CCCC(=O)C(C)C 1458a_100000211992_100000210206 [1,1,0,0,0,0|0,0,2]=4 1418 B7R0.5 CCCC(=O)C(C)F 1458a_100000062450_100000210303 [1,1,0,0,0,0|0,0,2]=4 1419 B7R0.5 CCCC(=O)N(C)C 11a_100102631434_100000211992 [1,1,0,0,0,0|2,0,0]=4 1420 B7R0.5 CCCC(=O)N(C)C 1626a_100102631434_100000211992 [1,1,0,0,0,0|2,0,0]=4 1421 B7R0.5 CCCC(=O)N(C)C 240690a_100102631434_100000211992 [1,1,0,0,0,0|2,0,0]=4 1422 B7R0.5 CCCC(=O)N(C)C 527a_100102631434_100000211992 [1,1,0,0,0,0|2,0,0]=4 1423 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [1,1,0,0,0,0|0,0,2]=4 1424 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [1,1,0,0,0,0|0,0,2]=4 1425 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [1,1,0,0,0,0|1,0,0]=3 1426 B7R0.5 CCNC(=O)C(=O)N 240690a_100015525214_100011215815 [1,1,0,0,0,0|2,0,0]=4 1427 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [1,1,0,0,0,0|1,0,0]=3 1428 B7R0.5 CCNC(=O)C(C)C 11a_100015525214_100000210198 [1,1,0,0,0,0|1,0,1]=4 1429 B7R0.5 CCNC(=O)C(C)C 240690a_100015525214_100000210198 [1,1,0,0,0,0|1,0,1]=4 1430 B7R0.5 CCNC(=O)C(C)C 527a_100015525214_100000210198 [1,1,0,0,0,0|1,0,1]=4 1431 B7R0.5 CCNC(=O)C(C)F 11a_100015525214_100000062450 [1,1,0,0,0,0|1,0,1]=4 1432 B7R0.5 CCNC(=O)C(C)F 240690a_100015525214_100000062450 [1,1,0,0,0,0|1,0,1]=4 1433 B7R0.5 CCNC(=O)C(C)F 527a_100015525214_100000062450 [1,1,0,0,0,0|1,0,1]=4 1434 B7R0.5 CCNC(=O)N(C)C 2708a_100015525214_100102631434 [1,1,0,0,0,0|2,0,0]=4 1435 B7R0.5 CCNC(=O)[C@@H](C)O 240690a_100015525214_100000717761 [1,1,0,0,0,0|1,0,1]=4 1436 B7R0.5 CCNC(=O)[C@H](C)O 240690a_100015525214_217856618621 [1,1,0,0,0,0|1,0,1]=4 1437 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [1,1,0,0,0,0|1,0,1]=4 1438 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [1,1,0,0,0,0|1,0,1]=4 1439 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [1,1,0,0,0,0|1,0,1]=4 1440 B7R0.5 CN(C)C(=O)C=CBr 1626a_100102631434_100016273825 [1,1,0,0,0,0|2,0,0]=4 1441 B7R0.5 CN(C)C(=O)C=CBr 240690a_100102631434_100016273825 [1,1,0,0,0,0|2,0,0]=4 1442 B7R0.5 CN(C)C(=O)C=CCl 11a_100102631434_200016279998 [1,1,0,0,0,0|2,0,0]=4 1443 B7R0.5 CN(C)C(=O)C=CCl 1626a_100102631434_200016279998 [1,1,0,0,0,0|2,0,0]=4 1444 B7R0.5 CN(C)C(=O)C=CCl 240690a_100102631434_200016279998 [1,1,0,0,0,0|2,0,0]=4 1445 B7R0.5 CN(C)C(=O)C=CI 1626a_100102631434_100016256311 [1,1,0,0,0,0|2,0,0]=4 1446 B7R0.5 CNCC(=O)C(=O)C 34a_100102657272_100011261029 [1,1,0,0,0,0|2,0,0]=4 1447 B7R0.5 CNCC(=O)C(C)C 2230a_106832991635_100000753385 [1,1,0,0,0,0|1,0,1]=4 1448 B7R0.5 CNCC(=O)C(C)C 34a_100102657272_100000753385 [1,1,0,0,0,0|1,0,1]=4 1449 B7R0.5 CNCC(=O)C(C)C 7a_106832991635_100000753385 [1,1,0,0,0,0|1,0,1]=4 1450 B7R0.5 CNNC(=O)C(C)C 22a_100016993582_100000210198 [1,1,0,0,0,0|2,0,0]=4 1451 B7R0.5 CNNC(=O)C(C)F 22a_100016993582_100000062450 [1,1,0,0,0,0|2,0,0]=4 1452 B7R0.5 CNNC(=O)[C@@H](C)O 22a_100016993582_100000717761 [1,1,0,0,0,0|2,0,0]=4 1453 B7R0.5 CNNC(=O)[C@H](C)O 22a_100016993582_217856618621 [1,1,0,0,0,0|2,0,0]=4 1454 B7R0.5 COCC(=O)C(=O)C 34a_100138415774_100011261029 [1,1,0,0,0,0|2,0,0]=4 1455 B7R0.5 COCC(=O)C(C)C 1458a_100000210968_100000210206 [1,1,0,0,0,0|1,0,1]=4 1456 B7R0.5 COCC(=O)C(C)C 34a_100138415774_100000753385 [1,1,0,0,0,0|1,0,1]=4 1457 B7R0.5 CSCC(=O)C(=O)C 62a_100011261029_200000210301 [1,1,0,0,0,0|2,0,0]=4 1458 B7R0.5 CSCC(=O)C(=O)C 62a_200000210301_100011261029 [1,1,0,0,0,0|2,0,0]=4 1459 B7R0.5 CSCC(=O)C(C)C 1458a_100000184570_100000210206 [1,1,0,0,0,0|1,0,1]=4 1460 B7R0.5 CSCC(=O)C(C)C 62a_100000753385_200000210301 [1,1,0,0,0,0|1,0,1]=4 1461 B7R0.5 CSCC(=O)C(C)C 62a_200000210301_100000753385 [1,1,0,0,0,0|1,0,1]=4 1462 B7R0.10 C/C=C(\C)/C(=O)CC 1458a_100020587367_100000210202 [1,1,0,0,0,0|0,0,0]=2 1463 B7R0.10 C/C=C(\C)/C(=O)CF 1458a_100020587367_100015361967 [1,1,0,0,0,0|1,0,0]=3 1464 B7R0.10 C/C=C(\C)/C(=O)NC 11a_106832991635_100020587367 [1,1,0,0,0,0|1,0,0]=3 1465 B7R0.10 C/C=C(\C)/C(=O)NC 1626a_100102657272_100020587367 [1,1,0,0,0,0|1,0,0]=3 1466 B7R0.10 C=CC(=O)C(C)CC 1458a_100000185746_100000758301 [1,1,0,0,0,0|1,0,0]=3 1467 B7R0.10 C=CC(=O)N(C)CC 1626a_100000225621_100000185746 [1,1,0,0,0,0|1,0,0]=3 1468 B7R0.10 C=CC(=O)N(C)CC 240690a_100000225621_200121576911 [1,1,0,0,0,0|1,0,0]=3 1469 B7R0.10 C=CC(C)C(=O)CC 1458a_100011216780_100000210202 [1,1,0,0,0,0|0,0,2]=4 1470 B7R0.10 CCC(=O)C(=O)NC 1458a_100011218921_100000210202 [1,1,0,0,0,0|1,0,0]=3 1471 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [1,1,0,0,0,0|0,0,2]=4 1472 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [1,1,0,0,0,0|0,0,2]=4 1473 B7R0.10 CCC(=O)C(C)NC 2230a_106832991635_100000742827 [1,1,0,0,0,0|1,0,1]=4 1474 B7R0.10 CCC(=O)C(C)NC 7a_106832991635_100000742827 [1,1,0,0,0,0|1,0,1]=4 1475 B7R0.10 CCC(=O)C(C)OC 1458a_100000743197_100000210202 [1,1,0,0,0,0|1,0,1]=4 1476 B7R0.10 CCC(=O)C(C)SC 1458a_100000149566_100000210202 [1,1,0,0,0,0|1,0,1]=4 1477 B7R0.10 CCC(=O)C(C)SC 62a_100000742827_200000210301 [1,1,0,0,0,0|1,0,1]=4 1478 B7R0.10 CCC(=O)C(C)SC 62a_200000210301_100000742827 [1,1,0,0,0,0|1,0,1]=4 1479 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_100000742827_200025704644 [1,1,0,0,0,0|1,0,1]=4 1480 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_200025704644_100000742827 [1,1,0,0,0,0|1,0,1]=4 1481 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [1,1,0,0,0,0|0,0,2]=4 1482 B7R0.10 CCC(=O)N(C)CC 11a_100000225621_100000210414 [1,1,0,0,0,0|1,0,1]=4 1483 B7R0.10 CCC(=O)N(C)CC 1626a_100000225621_100000210414 [1,1,0,0,0,0|1,0,1]=4 1484 B7R0.10 CCC(=O)N(C)CC 240690a_100000225621_100000210414 [1,1,0,0,0,0|1,0,1]=4 1485 B7R0.10 CCC(=O)N(C)CC 527a_100000225621_100000210414 [1,1,0,0,0,0|1,0,1]=4 1486 B7R0.10 CCC(C)C(=O)NC 11a_106832991635_100011192722 [1,1,0,0,0,0|2,0,0]=4 1487 B7R0.10 CCC(C)C(=O)NC 1626a_100102657272_100011192722 [1,1,0,0,0,0|2,0,0]=4 1488 B7R0.10 CCC(C)C(=O)NC 240690a_100102657272_100011192722 [1,1,0,0,0,0|2,0,0]=4 1489 B7R0.10 CCC(C)C(=O)NC 527a_100102657272_100011192722 [1,1,0,0,0,0|2,0,0]=4 1490 B7R0.10 CCC(O)C(=O)NC 240690a_100102657272_100011196387 [1,1,0,0,0,0|2,0,0]=4 1491 B7R0.10 CCN(C)C(=O)NC 2708a_100102657272_100000225621 [1,1,0,0,0,0|2,0,0]=4 1492 B7R0.10 CCN(C)C(=O)NC 273464a_100102657272_100000225621 [1,1,0,0,0,0|2,0,0]=4 1493 B7R0.10 CNC(=O)C(=O)CF 1458a_100011218921_100015361967 [1,1,0,0,0,0|2,0,0]=4 1494 B7R0.10 CNC(=O)C(=O)NC 1626a_100102657272_100011218921 [1,1,0,0,0,0|2,0,0]=4 1495 B7R0.10 CNC(=O)C(=O)NC 240690a_100102657272_100011218921 [1,1,0,0,0,0|2,0,0]=4 1496 B7R0.10 CNC(=O)C(=O)NC 527a_100102657272_100011218921 [1,1,0,0,0,0|2,0,0]=4 1497 B7R0.10 CNC(=O)C(=O)OC 11a_106832991635_100000024059 [1,1,0,0,0,0|1,0,0]=3 1498 B7R0.10 CNC(=O)C(=O)OC 1626a_100102657272_100000024059 [1,1,0,0,0,0|1,0,0]=3 1499 B7R0.10 CNC(=O)C(=O)OC 240690a_100102657272_100000024059 [1,1,0,0,0,0|1,0,0]=3 1500 B7R0.10 CNC(=O)C(=O)OC 527a_100102657272_100000024059 [1,1,0,0,0,0|1,0,0]=3 1501 B7R0.10 CNC(C)C(=O)OC 2230a_106832991635_100000211248 [1,1,0,0,0,0|1,0,1]=4 1502 B7R0.10 CNC(C)C(=O)OC 34a_100102657272_100000211248 [1,1,0,0,0,0|1,0,1]=4 1503 B7R0.10 CNC(C)C(=O)OC 7a_106832991635_100000211248 [1,1,0,0,0,0|1,0,1]=4 1504 B7R0.10 COC(=O)C(C)OC 34a_100011215400_200000210301 [1,1,0,0,0,0|1,0,1]=4 1505 B7R0.10 COC(=O)C(C)OC 34a_100138415774_100000211248 [1,1,0,0,0,0|1,0,1]=4 1506 B7R0.10 COC(=O)C(C)O[13CH3] 34a_100011215400_200025704644 [1,1,0,0,0,0|1,0,1]=4 1507 B7R0.10 COC(=O)C(C)SC 62a_100000211248_200000210301 [1,1,0,0,0,0|1,0,1]=4 1508 B7R0.10 COC(=O)C(C)SC 62a_200000210301_100000211248 [1,1,0,0,0,0|1,0,1]=4 1509 B7R0.10 COC(=O)C(C)S[13CH3] 62a_100000211248_200025704644 [1,1,0,0,0,0|1,0,1]=4 1510 B7R0.10 COC(=O)C(C)S[13CH3] 62a_200025704644_100000211248 [1,1,0,0,0,0|1,0,1]=4 1511 B7R0.11 C=CC(C)(C)OCC 34a_100011215311_100000210202 [1,1,0,0,0,0|1,0,1]=4 1512 B7R0.11 C=CC(C)(C)OCC 7a_100011215311_100000210202 [1,1,0,0,0,0|1,0,1]=4 1513 B7R0.12 C=CC(C=C)OCC 34a_100000033096_100000210202 [1,1,0,0,0,0|1,0,1]=4 1514 B7R0.12 C=CC(CC)OCC 34a_100000766422_100000210202 [1,1,0,0,0,0|1,0,1]=4 1515 B7R0.12 C=CC(CC)OCC 7a_100000766422_100000210202 [1,1,0,0,0,0|1,0,1]=4 1516 B7R0.12 CCOC(C=O)C=O 34a_100121572206_100000736813 [1,1,0,0,0,0|1,0,1]=4 1517 B7R0.1 C#CCOC/C=C/C 34a_100000210247_100102629194 [1,1,0,0,0,0|0,0,2]=4 1518 B7R0.1 C#CCOC/C=C/C 34a_100016270725_100000184674 [1,1,0,0,0,0|0,0,2]=4 1519 B7R0.1 C#CCOCC=CC 34a_100000210247_100000070051 [1,1,0,0,0,0|0,0,2]=4 1520 B7R0.1 C/C=C/C=C/COC 34a_100016283227_200000210301 [1,1,0,0,0,0|1,0,0]=3 1521 B7R0.1 C/C=C/C=C/CO[13CH3] 34a_100016283227_200025704644 [1,1,0,0,0,0|1,0,0]=3 1522 B7R0.1 C/C=C/CCOCC 34a_100016278192_100000210202 [1,1,0,0,0,0|0,0,1]=3 1523 B7R0.1 C/C=C/CCOCF 34a_100016278192_100015361967 [1,1,0,0,0,0|1,0,1]=4 1524 B7R0.1 C/C=C/CNCCF 34a_100000724931_100102629194 [1,1,0,0,0,0|1,0,1]=4 1525 B7R0.1 C/C=C/CNCCO 34a_100016990907_100102629194 [1,1,0,0,0,0|1,0,1]=4 1526 B7R0.1 C/C=C/COCC=O 34a_100016270725_200009817547 [1,1,0,0,0,0|0,0,2]=4 1527 B7R0.1 C/C=C/COCCBr 34a_100000211926_100102629194 [1,1,0,0,0,0|0,0,1]=3 1528 B7R0.1 C/C=C/COCCC 34a_100000210258_100102629194 [1,1,0,0,0,0|0,0,1]=3 1529 B7R0.1 C/C=C/COCCC 34a_100016270725_100000210303 [1,1,0,0,0,0|0,0,1]=3 1530 B7R0.1 C/C=C/COCCF 34a_100016270725_100011217306 [1,1,0,0,0,0|0,0,1]=3 1531 B7R0.1 C/C=C/COCCN 34a_100000210304_100102629194 [1,1,0,0,0,0|0,0,1]=3 1532 B7R0.1 C/C=C/COCCO 34a_100016270725_100000211926 [1,1,0,0,0,0|0,0,1]=3 1533 B7R0.1 C/C=C/COCSC 34a_100016270725_100011218213 [1,1,0,0,0,0|0,0,1]=3 1534 B7R0.1 C/C=C/CSCCC 62a_100000210303_100102629194 [1,1,0,0,0,0|0,1,1]=4 1535 B7R0.1 C/C=C/CSCCC 62a_100102629194_100000210303 [1,1,0,0,0,0|0,1,1]=4 1536 B7R0.1 C/C=C/CSCCF 62a_100011217306_100102629194 [1,1,0,0,0,0|0,1,1]=4 1537 B7R0.1 C/C=C/CSCCF 62a_100102629194_100011217306 [1,1,0,0,0,0|0,1,1]=4 1538 B7R0.1 C/C=C/CSCCO 62a_100000211926_100102629194 [1,1,0,0,0,0|0,1,1]=4 1539 B7R0.1 C/C=C/CSCCO 62a_100102629194_100000211926 [1,1,0,0,0,0|0,1,1]=4 1540 B7R0.1 C/C=C/CSCOC 62a_100000766300_100102629194 [1,1,0,0,0,0|0,1,1]=4 1541 B7R0.1 C/C=C/CSCOC 62a_100102629194_100000766300 [1,1,0,0,0,0|0,1,1]=4 1542 B7R0.1 C/C=C/CSCSC 62a_100011218213_100102629194 [1,1,0,0,0,0|0,1,1]=4 1543 B7R0.1 C/C=C/CSCSC 62a_100102629194_100011218213 [1,1,0,0,0,0|0,1,1]=4 1544 B7R0.1 C=CCOC/C=C/C 34a_100016270725_100015514636 [1,1,0,0,0,0|0,0,2]=4 1545 B7R0.1 C=CCOC/C=C/C 34a_200000210373_100102629194 [1,1,0,0,0,0|0,0,2]=4 1546 B7R0.1 C=CCOCC=CC 34a_200000210373_100000070051 [1,1,0,0,0,0|0,0,2]=4 1547 B7R0.1 CC/C=C\CCNC 2230a_106832991635_100015370543 [1,1,0,0,0,0|1,0,1]=4 1548 B7R0.1 CC/C=C\CCNC 34a_100102657272_100015370543 [1,1,0,0,0,0|1,0,1]=4 1549 B7R0.1 CC/C=C\CCNC 7a_106832991635_100015370543 [1,1,0,0,0,0|1,0,1]=4 1550 B7R0.1 CC/C=C\CCOC 34a_100016288707_200000210301 [1,1,0,0,0,0|1,0,1]=4 1551 B7R0.1 CC/C=C\CCOC 34a_100138415774_100015370543 [1,1,0,0,0,0|1,0,1]=4 1552 B7R0.1 CC/C=C\CCOC 7a_100016288707_200000210301 [1,1,0,0,0,0|1,0,1]=4 1553 B7R0.1 CC/C=C\CCO[13CH3] 34a_100016288707_200025704644 [1,1,0,0,0,0|1,0,1]=4 1554 B7R0.1 CC/C=C\CCO[13CH3] 7a_100016288707_200025704644 [1,1,0,0,0,0|1,0,1]=4 1555 B7R0.1 CC/C=C\CCSC 62a_100015370543_200000210301 [1,1,0,0,0,0|1,0,1]=4 1556 B7R0.1 CC/C=C\CCSC 62a_200000210301_100015370543 [1,1,0,0,0,0|1,0,1]=4 1557 B7R0.1 CC/C=C\CCS[13CH3] 62a_100015370543_200025704644 [1,1,0,0,0,0|1,0,1]=4 1558 B7R0.1 CC/C=C\CCS[13CH3] 62a_200025704644_100015370543 [1,1,0,0,0,0|1,0,1]=4 1559 B7R0.1 CC/C=C\CNCC 2230a_100015525214_100103147603 [1,1,0,0,0,0|1,0,1]=4 1560 B7R0.1 CC/C=C\COCC 34a_100016268518_100000210202 [1,1,0,0,0,0|0,0,1]=3 1561 B7R0.1 CC/C=C\COCC 34a_100121572206_100103147603 [1,1,0,0,0,0|0,0,1]=3 1562 B7R0.1 CC/C=C\COCF 34a_100016268518_100015361967 [1,1,0,0,0,0|1,0,1]=4 1563 B7R0.1 CC/C=C\CSCC 62a_100000210202_100103147603 [1,1,0,0,0,0|0,1,1]=4 1564 B7R0.1 CC/C=C\CSCC 62a_100103147603_100000210202 [1,1,0,0,0,0|0,1,1]=4 1565 B7R0.1 CC=C=CCCOC 34a_100011020354_200000210301 [1,1,0,0,0,0|1,0,1]=4 1566 B7R0.1 CC=C=CCCO[13CH3] 34a_100011020354_200025704644 [1,1,0,0,0,0|1,0,1]=4 1567 B7R0.1 CC=CCCCOC 34a_100020645299_200000210301 [1,1,0,0,0,0|1,0,1]=4 1568 B7R0.1 CC=CCCCO[13CH3] 34a_100020645299_200025704644 [1,1,0,0,0,0|1,0,1]=4 1569 B7R0.1 CC=CCNCCF 34a_100000724931_100000070051 [1,1,0,0,0,0|1,0,1]=4 1570 B7R0.1 CC=CCNCCO 2230a_100016997473_100000070051 [1,1,0,0,0,0|1,0,1]=4 1571 B7R0.1 CC=CCNCCO 34a_100016990907_100000070051 [1,1,0,0,0,0|1,0,1]=4 1572 B7R0.1 CC=CCOCCBr 34a_100000211926_100000070051 [1,1,0,0,0,0|0,0,1]=3 1573 B7R0.1 CC=CCOCCC 34a_100000210258_100000070051 [1,1,0,0,0,0|0,0,1]=3 1574 B7R0.1 CC=CCOCCN 34a_100000210304_100000070051 [1,1,0,0,0,0|0,0,1]=3 1575 B7R0.1 CC=CCSCCC 62a_100000070051_100000210303 [1,1,0,0,0,0|0,1,1]=4 1576 B7R0.1 CC=CCSCCC 62a_100000210303_100000070051 [1,1,0,0,0,0|0,1,1]=4 1577 B7R0.1 CC=CCSCCF 62a_100000070051_100011217306 [1,1,0,0,0,0|0,1,1]=4 1578 B7R0.1 CC=CCSCCF 62a_100011217306_100000070051 [1,1,0,0,0,0|0,1,1]=4 1579 B7R0.1 CC=CCSCCO 62a_100000070051_100000211926 [1,1,0,0,0,0|0,1,1]=4 1580 B7R0.1 CC=CCSCCO 62a_100000211926_100000070051 [1,1,0,0,0,0|0,1,1]=4 1581 B7R0.1 CC=CCSCOC 62a_100000070051_100000766300 [1,1,0,0,0,0|0,1,1]=4 1582 B7R0.1 CC=CCSCOC 62a_100000766300_100000070051 [1,1,0,0,0,0|0,1,1]=4 1583 B7R0.1 CC=CCSCSC 62a_100000070051_100011218213 [1,1,0,0,0,0|0,1,1]=4 1584 B7R0.1 CC=CCSCSC 62a_100011218213_100000070051 [1,1,0,0,0,0|0,1,1]=4 1585 B7R0.1 CCC/C=C/COC 34a_100016278788_200000210301 [1,1,0,0,0,0|1,0,1]=4 1586 B7R0.1 CCC/C=C/COC 7a_100016278788_200000210301 [1,1,0,0,0,0|1,0,1]=4 1587 B7R0.1 CCC/C=C/CO[13CH3] 34a_100016278788_200025704644 [1,1,0,0,0,0|1,0,1]=4 1588 B7R0.1 CCC/C=C/CO[13CH3] 7a_100016278788_200025704644 [1,1,0,0,0,0|1,0,1]=4 1589 B7R0.4 C/C=C/C=CC(=O)C 1458a_100000185730_200000210301 [1,1,0,0,0,0|1,0,1]=4 1590 B7R0.4 C/C=C/C=CC(=O)[13CH3] 1458a_100000185730_200025704644 [1,1,0,0,0,0|1,0,1]=4 1591 B7R0.4 C/C=C/CNC(C)C 34a_100138425928_100102629194 [1,1,0,0,0,0|1,0,1]=4 1592 B7R0.4 C/C=C/COC(C)C 34a_100000212225_100102629194 [1,1,0,0,0,0|0,0,1]=3 1593 B7R0.4 C/C=C/COC(C)C 34a_100016270725_100000210206 [1,1,0,0,0,0|0,0,1]=3 1594 B7R0.4 C/C=C/CSC(C)C 62a_100000210206_100102629194 [1,1,0,0,0,0|0,1,1]=4 1595 B7R0.4 C/C=C/CSC(C)C 62a_100102629194_100000210206 [1,1,0,0,0,0|0,1,1]=4 1596 B7R0.4 C=C(C)C=NNCC 4a_100000756455_100000210575 [1,1,0,0,0,0|2,0,0]=4 1597 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [1,1,0,0,0,0|0,0,2]=4 1598 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [1,1,0,0,0,0|0,0,2]=4 1599 B7R0.4 CC(=CCOCF)C 34a_100000753907_100015361967 [1,1,0,0,0,0|1,0,1]=4 1600 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [1,1,0,0,0,0|1,0,1]=4 1601 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [1,1,0,0,0,0|1,0,1]=4 1602 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [1,1,0,0,0,0|1,0,1]=4 1603 B7R0.4 CC=CCNC(C)C 2230a_100138425928_100000070051 [1,1,0,0,0,0|1,0,1]=4 1604 B7R0.4 CC=CCNC(C)C 34a_100138425928_100000070051 [1,1,0,0,0,0|1,0,1]=4 1605 B7R0.4 CC=CCOC(C)C 34a_100000212225_100000070051 [1,1,0,0,0,0|0,0,1]=3 1606 B7R0.4 CC=CCSC(C)C 62a_100000070051_100000210206 [1,1,0,0,0,0|0,1,1]=4 1607 B7R0.4 CC=CCSC(C)C 62a_100000210206_100000070051 [1,1,0,0,0,0|0,1,1]=4 1608 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [1,1,0,0,0,0|1,0,0]=3 1609 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [1,1,0,0,0,0|1,0,0]=3 1610 B7R0.4 CCNCC=C(C)C 2230a_100015525214_100000761012 [1,1,0,0,0,0|1,0,1]=4 1611 B7R0.4 CCNCC=C(C)C 34a_100000718196_100000210202 [1,1,0,0,0,0|1,0,1]=4 1612 B7R0.4 CCOC=CC(=O)C 1458a_100016266692_200000210301 [1,1,0,0,0,0|0,0,0]=2 1613 B7R0.4 CCOC=CC(=O)[13CH3] 1458a_100016266692_200025704644 [1,1,0,0,0,0|0,0,0]=2 1614 B7R0.4 CCOCC=C(C)C 34a_100000753907_100000210202 [1,1,0,0,0,0|0,0,1]=3 1615 B7R0.4 CCOCC=C(C)C 34a_100121572206_100000761012 [1,1,0,0,0,0|0,0,1]=3 1616 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [1,1,0,0,0,0|0,0,2]=4 1617 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [1,1,0,0,0,0|0,0,2]=4 1618 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [1,1,0,0,0,0|0,0,2]=4 1619 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [1,1,0,0,0,0|0,0,2]=4 1620 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [1,1,0,0,0,0|0,0,2]=4 1621 B7R0.4 CCOCOC(=O)C 34a_100121572206_100009813279 [1,1,0,0,0,0|1,0,1]=4 1622 B7R0.4 CCSCC=C(C)C 62a_100000210202_100000761012 [1,1,0,0,0,0|0,1,1]=4 1623 B7R0.4 CCSCC=C(C)C 62a_100000761012_100000210202 [1,1,0,0,0,0|0,1,1]=4 1624 B7R0.4 COCC=CC(=O)C 1458a_100016285016_200000210301 [1,1,0,0,0,0|2,0,0]=4 1625 B7R0.4 COCC=CC(=O)[13CH3] 1458a_100016285016_200025704644 [1,1,0,0,0,0|2,0,0]=4 1626 B9R0.4 C#CCCC(=O)C=C(C)C 1458a_100000211388_100000753159 [0,2,0,0,0,0|1,0,1]=4 1627 B9R0.4 C#CCCC(=O)C=C(C)Cl 1458a_200042562850_100000753159 [0,2,0,0,0,0|1,0,1]=4 1628 B9R0.4 C#CCCC(=O)C=C(C)I 1458a_100025716642_100000753159 [0,2,0,0,0,0|1,0,1]=4 1629 B9R0.4 C#CCNC(=O)C=C(C)C 11a_100000212058_100000211388 [0,2,0,0,0,0|1,0,1]=4 1630 B9R0.4 C#CCNC(=O)C=C(C)C 1626a_100000212058_100000211388 [0,2,0,0,0,0|1,0,1]=4 1631 B9R0.4 C#CCNC(=O)C=C(C)C 240690a_100000212058_100000211388 [0,2,0,0,0,0|1,0,1]=4 1632 B9R0.4 C#CCNC(=O)C=C(C)Cl 11a_100000212058_200042562850 [0,2,0,0,0,0|1,0,1]=4 1633 B9R0.4 C#CCNC(=O)C=C(C)Cl 1626a_100000212058_200042562850 [0,2,0,0,0,0|1,0,1]=4 1634 B9R0.4 C#CCNC(=O)C=C(C)Cl 240690a_100000212058_200042562850 [0,2,0,0,0,0|1,0,1]=4 1635 B9R0.4 C#CCNC(=O)C=C(C)I 11a_100000212058_100025716642 [0,2,0,0,0,0|1,0,1]=4 1636 B9R0.4 C#CCNC(=O)C=C(C)I 1626a_100000212058_100025716642 [0,2,0,0,0,0|1,0,1]=4 1637 B9R0.4 C/C=C/CC(=O)C=C(C)C 1458a_100000211388_100102629194 [0,2,0,0,0,0|1,0,1]=4 1638 B9R0.4 C/C=C/CC(=O)C=C(C)Cl 1458a_200042562850_100102629194 [0,2,0,0,0,0|1,0,1]=4 1639 B9R0.4 C/C=C/CC(=O)C=C(C)I 1458a_100025716642_100102629194 [0,2,0,0,0,0|1,0,1]=4 1640 B9R0.4 C/C=C/CC(=O)CC(C)C 1458a_100000210554_100102629194 [0,2,0,0,0,0|1,0,0]=3 1641 B9R0.4 C/C=C/CC(=O)CN(C)C 1458a_100000750896_100102629194 [0,2,0,0,0,0|2,0,0]=4 1642 B9R0.4 C/C=C/CC(=O)C[C@@H](C)O 1458a_100011933948_100102629194 [0,2,0,0,0,0|1,0,0]=3 1643 B9R0.4 C/C=C/CC(=O)C[S+](C)C 1458a_200159257847_100102629194 [0,2,0,0,0,0|2,0,0]=4 1644 B9R0.4 C=C(C)CC(=O)C#CCC 1458a_100011827653_100000748629 [0,2,0,0,0,0|1,0,1]=4 1645 B9R0.4 C=C(C)CC(=O)C=CCC 1458a_100000212282_100000748629 [0,2,0,0,0,0|1,0,1]=4 1646 B9R0.4 C=C(C)CC(=O)C=COC 1458a_100016268678_100000748629 [0,2,0,0,0,0|1,0,1]=4 1647 B9R0.4 C=C(C)CC(=O)CC=CC 1458a_100121576822_100000748629 [0,2,0,0,0,0|1,0,1]=4 1648 B9R0.4 C=C(C)CC(=O)CCCC 1458a_100000210183_100000748629 [0,2,0,0,0,0|1,0,1]=4 1649 B9R0.4 C=C(C)CC(=O)CCOC 1458a_100000749529_100000748629 [0,2,0,0,0,0|1,0,1]=4 1650 B9R0.4 C=C(C)CC(=O)CCSC 1458a_100000174002_100000748629 [0,2,0,0,0,0|1,0,1]=4 1651 B9R0.4 C=C(C)CC(=O)COCC 1458a_100000211967_100000748629 [0,2,0,0,0,0|0,0,1]=3 1652 B9R0.4 C=C(C)CC(=O)CSCC 1458a_100000230394_100000748629 [0,2,0,0,0,0|0,1,1]=4 1653 B9R0.4 C=C(CC(=O)C)OCOC 1458a_100000070787_100000042856 [0,2,0,0,0,0|1,0,1]=4 1654 B9R0.4 C=C(F)CC(=O)COCC 1458a_100000211967_100009893438 [0,2,0,0,0,0|0,0,2]=4 1655 B9R0.4 C=CC=CC(=O)CC(C)C 1458a_100016291481_100000210624 [0,2,0,0,0,0|1,0,1]=4 1656 B9R0.4 C=CC=CC(=O)CC(C)O 1458a_100016291481_100011218427 [0,2,0,0,0,0|1,0,1]=4 1657 B9R0.4 C=CC=CC(=O)NC(C)C 1626a_100138425928_100016291481 [0,2,0,0,0,0|1,0,1]=4 1658 B9R0.4 C=CCCC(=O)C=C(C)C 1458a_100000211388_100000754431 [0,2,0,0,0,0|1,0,1]=4 1659 B9R0.4 C=CCCC(=O)C=C(C)Cl 1458a_200042562850_100000754431 [0,2,0,0,0,0|1,0,1]=4 1660 B9R0.4 C=CCCC(=O)C=C(C)I 1458a_100025716642_100000754431 [0,2,0,0,0,0|1,0,1]=4 1661 B9R0.4 C=CCNC(=O)C=C(C)C 1626a_100020586998_100000211388 [0,2,0,0,0,0|1,0,1]=4 1662 B9R0.4 C=CCNC(=O)C=C(C)C 240690a_100020586998_100000211388 [0,2,0,0,0,0|1,0,1]=4 1663 B9R0.4 C=CCNC(=O)C=C(C)Cl 1626a_100020586998_200042562850 [0,2,0,0,0,0|1,0,1]=4 1664 B9R0.4 C=CCNC(=O)C=C(C)Cl 240690a_100020586998_200042562850 [0,2,0,0,0,0|1,0,1]=4 1665 B9R0.4 C=CCNC(=O)C=C(C)I 1626a_100020586998_100025716642 [0,2,0,0,0,0|1,0,1]=4 1666 B9R0.4 C=CCOC(=O)CC(=O)C 1458a_100000070787_100000033060 [0,2,0,0,0,0|0,0,2]=4 1667 B9R0.4 CC#CCC(=O)C=C(C)C 1458a_100000211388_100000748600 [0,2,0,0,0,0|1,0,1]=4 1668 B9R0.4 CC#CCC(=O)C=C(C)Cl 1458a_200042562850_100000748600 [0,2,0,0,0,0|1,0,1]=4 1669 B9R0.4 CC#CCC(=O)C=C(C)I 1458a_100025716642_100000748600 [0,2,0,0,0,0|1,0,1]=4 1670 B9R0.4 CC(=CC(=O)CCC#N)C 1458a_100000211388_100011215226 [0,2,0,0,0,0|1,0,1]=4 1671 B9R0.4 CC(=CC(=O)CCC#N)Cl 1458a_200042562850_100011215226 [0,2,0,0,0,0|1,0,1]=4 1672 B9R0.4 CC(=CC(=O)CCC#N)I 1458a_100025716642_100011215226 [0,2,0,0,0,0|1,0,1]=4 1673 B9R0.4 CC(=CC(=O)CCCF)C 1458a_100000211388_100011934791 [0,2,0,0,0,0|1,0,0]=3 1674 B9R0.4 CC(=CC(=O)CCCF)Cl 1458a_200042562850_100011934791 [0,2,0,0,0,0|1,0,0]=3 1675 B9R0.4 CC(=CC(=O)CCCF)I 1458a_100025716642_100011934791 [0,2,0,0,0,0|1,0,0]=3 1676 B9R0.4 CC(=CC(=O)CCCO)C 1458a_100000211388_100011215043 [0,2,0,0,0,0|1,0,0]=3 1677 B9R0.4 CC(=CC(=O)CCCO)Cl 1458a_200042562850_100011215043 [0,2,0,0,0,0|1,0,0]=3 1678 B9R0.4 CC(=CC(=O)CCCO)I 1458a_100025716642_100011215043 [0,2,0,0,0,0|1,0,0]=3 1679 B9R0.4 CC(=CC(=O)NCC#N)C 1626a_100000734998_100000211388 [0,2,0,0,0,0|1,0,1]=4 1680 B9R0.4 CC(=CC(=O)NCC#N)Cl 1626a_100000734998_200042562850 [0,2,0,0,0,0|1,0,1]=4 1681 B9R0.4 CC(=CC(=O)NCC#N)I 1626a_100000734998_100025716642 [0,2,0,0,0,0|1,0,1]=4 1682 B9R0.4 CC(=CC(=O)NCCF)C 11a_100000724931_100000211388 [0,2,0,0,0,0|1,0,0]=3 1683 B9R0.4 CC(=CC(=O)NCCF)C 1626a_100000724931_100000211388 [0,2,0,0,0,0|1,0,0]=3 1684 B9R0.4 CC(=CC(=O)NCCF)C 240690a_100000724931_100000211388 [0,2,0,0,0,0|1,0,0]=3 1685 B9R0.4 CC(=CC(=O)NCCF)Cl 11a_100000724931_200042562850 [0,2,0,0,0,0|1,0,0]=3 1686 B9R0.4 CC(=CC(=O)NCCF)Cl 1626a_100000724931_200042562850 [0,2,0,0,0,0|1,0,0]=3 1687 B9R0.4 CC(=CC(=O)NCCF)Cl 240690a_100000724931_200042562850 [0,2,0,0,0,0|1,0,0]=3 1688 B9R0.4 CC(=CC(=O)NCCF)I 11a_100000724931_100025716642 [0,2,0,0,0,0|1,0,0]=3 1689 B9R0.4 CC(=CC(=O)NCCF)I 1626a_100000724931_100025716642 [0,2,0,0,0,0|1,0,0]=3 1690 B9R0.4 CC(=CC(=O)NCCO)C 240690a_100000210304_100000211388 [0,2,0,0,0,0|1,0,0]=3 1691 B9R0.4 CC(=CC(=O)NCCO)Cl 240690a_100000210304_200042562850 [0,2,0,0,0,0|1,0,0]=3 1692 B9R0.4 CC(=CC(C)OCCF)C 34a_100000717055_100011217306 [0,2,0,0,0,0|1,0,1]=4 1693 B9R0.4 CC(=CC(C)OCCO)C 34a_100000717055_100000211926 [0,2,0,0,0,0|1,0,1]=4 1694 B9R0.4 CC(C)OC(=O)CCS[13CH3] 62a_100000760027_200025704644 [0,2,0,0,0,0|0,0,2]=4 1695 B9R0.4 CC(C)OC(=O)CCS[13CH3] 62a_200025704644_100000760027 [0,2,0,0,0,0|0,0,2]=4 1696 B9R0.4 CC(C)OC(=O)CSCF 62a_100011215430_100015361967 [0,2,0,0,0,0|1,0,1]=4 1697 B9R0.4 CC(C)OC(=O)CSCF 62a_100015361967_100011215430 [0,2,0,0,0,0|1,0,1]=4 1698 B9R0.4 CC(C)OC(=O)OCS[13CH3] 62a_100000003507_200025704644 [0,2,0,0,0,0|1,0,1]=4 1699 B9R0.4 CC(C)OC(=O)OCS[13CH3] 62a_200025704644_100000003507 [0,2,0,0,0,0|1,0,1]=4 1700 B9R0.4 CC=CCC(=O)C=C(C)C 1458a_100000211388_100000070051 [0,2,0,0,0,0|1,0,1]=4 1701 B9R0.4 CC=CCC(=O)C=C(C)Cl 1458a_200042562850_100000070051 [0,2,0,0,0,0|1,0,1]=4 1702 B9R0.4 CC=CCC(=O)C=C(C)I 1458a_100025716642_100000070051 [0,2,0,0,0,0|1,0,1]=4 1703 B9R0.4 CC=CCC(=O)CC(C)C 1458a_100000210554_100000070051 [0,2,0,0,0,0|1,0,0]=3 1704 B9R0.4 CC=CCC(=O)CC(C)C 1458a_100121576822_100000210624 [0,2,0,0,0,0|1,0,0]=3 1705 B9R0.4 CC=CCC(=O)CC(C)O 1458a_100121576822_100011218427 [0,2,0,0,0,0|1,0,0]=3 1706 B9R0.4 CC=CCC(=O)CC(F)F 1458a_100121576822_100011934356 [0,2,0,0,0,0|2,0,0]=4 1707 B9R0.4 CC=CCC(=O)CN(C)C 1458a_100000750896_100000070051 [0,2,0,0,0,0|2,0,0]=4 1708 B9R0.4 CC=CCC(=O)C[C@@H](C)O 1458a_100011933948_100000070051 [0,2,0,0,0,0|1,0,0]=3 1709 B9R0.4 CC=CCC(=O)C[S+](C)C 1458a_200159257847_100000070051 [0,2,0,0,0,0|2,0,0]=4 1710 B9R0.4 CC=CCC(=O)NC(C)C 11a_100138425928_100121576822 [0,2,0,0,0,0|1,0,0]=3 1711 B9R0.4 CC=CCC(=O)NC(C)C 1626a_100138425928_100121576822 [0,2,0,0,0,0|1,0,0]=3 1712 B9R0.4 CC=CCC(=O)NC(C)C 240690a_100138425928_100121576822 [0,2,0,0,0,0|1,0,0]=3 1713 B9R0.4 CC=CCC(=O)NC(C)C 527a_100138425928_100121576822 [0,2,0,0,0,0|1,0,0]=3 1714 B9R0.4 CC=NNC(=O)CC(C)C 4a_100000189787_200000210099 [0,2,0,0,0,0|2,0,0]=4 1715 B9R0.4 CCC=CC(=O)CC(C)C 1458a_100000212282_100000210624 [0,2,0,0,0,0|1,0,0]=3 1716 B9R0.4 CCC=CC(=O)CC(C)O 1458a_100000212282_100011218427 [0,2,0,0,0,0|1,0,0]=3 1717 B9R0.4 CCC=CC(=O)CC(F)F 1458a_100000212282_100011934356 [0,2,0,0,0,0|2,0,0]=4 1718 B9R0.4 CCC=CC(=O)NC(C)C 11a_100138425928_100000212282 [0,2,0,0,0,0|1,0,0]=3 1719 B9R0.4 CCC=CC(=O)NC(C)C 1626a_100138425928_100000212282 [0,2,0,0,0,0|1,0,0]=3 1720 B9R0.4 CCC=CC(=O)NC(C)C 240690a_100138425928_100000212282 [0,2,0,0,0,0|1,0,0]=3 1721 B9R0.4 CCCCC(=O)C=C(C)C 1458a_100000211388_100000210211 [0,2,0,0,0,0|1,0,0]=3 1722 B9R0.4 CCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210211 [0,2,0,0,0,0|1,0,0]=3 1723 B9R0.4 CCCCC(=O)C=C(C)I 1458a_100025716642_100000210211 [0,2,0,0,0,0|1,0,0]=3 1724 B9R0.4 CCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210211 [0,2,0,0,0,0|2,0,0]=4 1725 B9R0.4 CCCNC(=O)C=C(C)C 11a_100020643023_100000211388 [0,2,0,0,0,0|1,0,0]=3 1726 B9R0.4 CCCNC(=O)C=C(C)C 1626a_100020643023_100000211388 [0,2,0,0,0,0|1,0,0]=3 1727 B9R0.4 CCCNC(=O)C=C(C)C 240690a_100020643023_100000211388 [0,2,0,0,0,0|1,0,0]=3 1728 B9R0.4 CCCNC(=O)C=C(C)Cl 11a_100020643023_200042562850 [0,2,0,0,0,0|1,0,0]=3 1729 B9R0.4 CCCNC(=O)C=C(C)Cl 1626a_100020643023_200042562850 [0,2,0,0,0,0|1,0,0]=3 1730 B9R0.4 CCCNC(=O)C=C(C)Cl 240690a_100020643023_200042562850 [0,2,0,0,0,0|1,0,0]=3 1731 B9R0.4 CCCNC(=O)C=C(C)I 11a_100020643023_100025716642 [0,2,0,0,0,0|1,0,0]=3 1732 B9R0.4 CCCNC(=O)C=C(C)I 1626a_100020643023_100025716642 [0,2,0,0,0,0|1,0,0]=3 1733 B9R0.4 CCCNC(=O)C=C(Cl)Cl 1626a_100020643023_100000137448 [0,2,0,0,0,0|2,0,0]=4 1734 B9R0.4 CCCNC(=O)C=C(Cl)Cl 240690a_100020643023_100000137448 [0,2,0,0,0,0|2,0,0]=4 1735 B9R0.4 CCCNC(=O)CC(=O)C 1458a_100000070787_100000183358 [0,2,0,0,0,0|1,0,1]=4 1736 B9R0.4 CCCOC(=O)CC(=O)C 1458a_100000070787_200011215008 [0,2,0,0,0,0|0,0,1]=3 1737 B9R0.4 CCCOC(=O)CN(C)C 2230a_100102631434_200011215008 [0,2,0,0,0,0|1,0,1]=4 1738 B9R0.4 CCCOC(=O)CN(C)C 269982a_100102631434_200011215008 [0,2,0,0,0,0|1,0,1]=4 1739 B9R0.4 CCCOC(C)C=C(C)C 34a_100000717055_100000210303 [0,2,0,0,0,0|1,0,1]=4 1740 B9R0.4 CCNCC(=O)OC(C)C 2230a_100015525214_100011215430 [0,2,0,0,0,0|0,0,2]=4 1741 B9R0.4 CCNNC(=O)C=C(C)C 22a_100000756455_100000211388 [0,2,0,0,0,0|1,0,0]=3 1742 B9R0.4 CCNNC(=O)C=C(C)Cl 22a_100000756455_200042562850 [0,2,0,0,0,0|1,0,0]=3 1743 B9R0.4 CCOCC(=O)CC(=O)N 1458a_100000211967_100000187820 [0,2,0,0,0,0|1,0,1]=4 1744 B9R0.4 CCOCC(=O)CC(=O)[O-] 1458a_100000211967_100020667443 [0,2,0,0,0,0|1,0,1]=4 1745 B9R0.4 CCOCC(=O)CC(C)C 1458a_100000211967_100000210624 [0,2,0,0,0,0|0,0,2]=4 1746 B9R0.4 CCOCC(=O)CC(C)O 1458a_100000211967_100011218427 [0,2,0,0,0,0|0,0,2]=4 1747 B9R0.4 CCOCC(=O)NC(C)C 11a_100138425928_100000211967 [0,2,0,0,0,0|1,0,1]=4 1748 B9R0.4 CCOCC(=O)NC(C)C 1626a_100138425928_100000211967 [0,2,0,0,0,0|1,0,1]=4 1749 B9R0.4 CCOCC(=O)NC(C)C 240690a_100138425928_100000211967 [0,2,0,0,0,0|1,0,1]=4 1750 B9R0.4 CCOCC(=O)NC(C)C 34a_100121572206_100000183996 [0,2,0,0,0,0|1,0,1]=4 1751 B9R0.4 CCOCC(=O)NC(C)C 527a_100138425928_100000211967 [0,2,0,0,0,0|1,0,1]=4 1752 B9R0.4 CCOCC(=O)OC(C)C 34a_100121572206_100011215430 [0,2,0,0,0,0|0,0,2]=4 1753 B9R0.4 CCSCC(=O)NC(=O)C 62a_100000210202_100000183797 [0,2,0,0,0,0|1,1,0]=4 1754 B9R0.4 CCSCC(=O)OC(C)C 62a_100000210202_100011215430 [0,2,0,0,0,0|0,0,2]=4 1755 B9R0.4 CCSCC(=O)OC(C)C 62a_100011215430_100000210202 [0,2,0,0,0,0|0,0,2]=4 1756 B9R0.4 CNCCC(=O)OC(C)C 2230a_106832991635_100000760027 [0,2,0,0,0,0|0,0,2]=4 1757 B9R0.4 CNCCC(=O)OC(C)C 7a_106832991635_100000760027 [0,2,0,0,0,0|0,0,2]=4 1758 B9R0.4 COC=CC(=O)CC(C)C 1458a_100016268678_100000210624 [0,2,0,0,0,0|1,0,0]=3 1759 B9R0.4 COC=CC(=O)CC(C)O 1458a_100016268678_100011218427 [0,2,0,0,0,0|1,0,0]=3 1760 B9R0.4 COC=CC(=O)CC(F)F 1458a_100016268678_100011934356 [0,2,0,0,0,0|2,0,0]=4 1761 B9R0.4 COC=CC(=O)NC(C)C 1626a_100138425928_100016268678 [0,2,0,0,0,0|1,0,0]=3 1762 B9R0.4 COC=CC(=O)NC(C)C 240690a_100138425928_100016268678 [0,2,0,0,0,0|1,0,0]=3 1763 B9R0.4 COCCC(=O)C=C(C)C 1458a_100000211388_100000233755 [0,2,0,0,0,0|1,0,0]=3 1764 B9R0.4 COCCC(=O)C=C(C)Cl 1458a_200042562850_100000233755 [0,2,0,0,0,0|1,0,0]=3 1765 B9R0.4 COCCC(=O)C=C(C)I 1458a_100025716642_100000233755 [0,2,0,0,0,0|1,0,0]=3 1766 B9R0.4 COCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000233755 [0,2,0,0,0,0|2,0,0]=4 1767 B9R0.4 CSCCC(=O)C=C(C)C 1458a_100000211388_100000751147 [0,2,0,0,0,0|1,0,0]=3 1768 B9R0.4 CSCCC(=O)C=C(C)Cl 1458a_200042562850_100000751147 [0,2,0,0,0,0|1,0,0]=3 1769 B9R0.4 CSCCC(=O)C=C(C)I 1458a_100025716642_100000751147 [0,2,0,0,0,0|1,0,0]=3 1770 B9R0.4 CSCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000751147 [0,2,0,0,0,0|2,0,0]=4 1771 B9R0.4 CSCCC(=O)OC(C)C 62a_100000760027_200000210301 [0,2,0,0,0,0|0,0,2]=4 1772 B9R0.4 CSCCC(=O)OC(C)C 62a_200000210301_100000760027 [0,2,0,0,0,0|0,0,2]=4 1773 B9R0.4 CSCOC(=O)OC(C)C 62a_100000003507_200000210301 [0,2,0,0,0,0|1,0,1]=4 1774 B9R0.4 CSCOC(=O)OC(C)C 62a_200000210301_100000003507 [0,2,0,0,0,0|1,0,1]=4 1775 B9R0.4 CSCOC(C)C=C(C)C 34a_100000717055_100011218213 [0,2,0,0,0,0|1,0,1]=4 1776 B9R0.4 O=C(C=C(Cl)Cl)CCCF 1458a_100000137448_100011934791 [0,2,0,0,0,0|2,0,0]=4 1777 B9R0.4 O=C(C=C(Cl)Cl)CCCO 1458a_100000137448_100011215043 [0,2,0,0,0,0|2,0,0]=4 1778 B9R0.4 O=C(C=C(Cl)Cl)NCCF 1626a_100000724931_100000137448 [0,2,0,0,0,0|2,0,0]=4 1779 B9R0.4 O=C(C=C(Cl)Cl)NCCF 240690a_100000724931_100000137448 [0,2,0,0,0,0|2,0,0]=4 1780 B9R0.4 O=C(C=C(Cl)Cl)NCCO 240690a_100000210304_100000137448 [0,2,0,0,0,0|2,0,0]=4 1781 B9R0.5 C#CCCCC(=O)C=CBr 1458a_100016273825_100000731252 [0,2,0,0,0,0|2,0,0]=4 1782 B9R0.5 C#CCCCC(=O)C=CC 1458a_100000210699_100000731252 [0,2,0,0,0,0|1,0,0]=3 1783 B9R0.5 C#CCCCC(=O)C=CCl 1458a_200016279998_100000731252 [0,2,0,0,0,0|2,0,0]=4 1784 B9R0.5 C#CCCCC(=O)C=CI 1458a_100016256311_100000731252 [0,2,0,0,0,0|2,0,0]=4 1785 B9R0.5 C#CCCNC(=O)C=CBr 1626a_100000755551_100016273825 [0,2,0,0,0,0|2,0,0]=4 1786 B9R0.5 C#CCCNC(=O)C=CBr 240690a_100000755551_100016273825 [0,2,0,0,0,0|2,0,0]=4 1787 B9R0.5 C#CCCNC(=O)C=CC 11a_100000755551_100000210699 [0,2,0,0,0,0|1,0,0]=3 1788 B9R0.5 C#CCCNC(=O)C=CC 1626a_100000755551_100000210699 [0,2,0,0,0,0|1,0,0]=3 1789 B9R0.5 C#CCCNC(=O)C=CC 240690a_100000755551_100000210699 [0,2,0,0,0,0|1,0,0]=3 1790 B9R0.5 C#CCCNC(=O)C=CCl 11a_100000755551_200016279998 [0,2,0,0,0,0|2,0,0]=4 1791 B9R0.5 C#CCCNC(=O)C=CCl 1626a_100000755551_200016279998 [0,2,0,0,0,0|2,0,0]=4 1792 B9R0.5 C#CCCNC(=O)C=CCl 240690a_100000755551_200016279998 [0,2,0,0,0,0|2,0,0]=4 1793 B9R0.5 C#CCCNC(=O)C=CI 1626a_100000755551_100016256311 [0,2,0,0,0,0|2,0,0]=4 1794 B9R0.5 C#CCCOC(C)/C=C/C 34a_200102604097_100000688953 [0,2,0,0,0,0|1,0,1]=4 1795 B9R0.5 C#CCNCC(=O)OCC 34a_100000212058_100000188475 [0,2,0,0,0,0|1,0,1]=4 1796 B9R0.5 C#CCOCC(=O)OCC 34a_100000210247_100000188475 [0,2,0,0,0,0|1,0,1]=4 1797 B9R0.5 C#CCSCC(=O)OCC 62a_100000038162_100000188475 [0,2,0,0,0,0|1,0,1]=4 1798 B9R0.5 C/C=C/C(C)OCCCC 34a_200102604097_100000210210 [0,2,0,0,0,0|1,0,1]=4 1799 B9R0.5 C/C=C/C(C)OCCCF 34a_200102604097_100011934791 [0,2,0,0,0,0|1,0,1]=4 1800 B9R0.5 C/C=C/C(C)OCCCO 34a_200102604097_100000230001 [0,2,0,0,0,0|1,0,1]=4 1801 B9R0.5 C/C=C/C(C)OCCOC 34a_200102604097_100011201679 [0,2,0,0,0,0|1,0,1]=4 1802 B9R0.5 C/C=C/C(C)OCCSC 34a_200102604097_100000212216 [0,2,0,0,0,0|1,0,1]=4 1803 B9R0.5 C/C=C/C=CC(=O)CCC 1458a_100000185730_100000210303 [0,2,0,0,0,0|1,0,0]=3 1804 B9R0.5 C/C=C/C=CC(=O)CCF 1458a_100000185730_100011217306 [0,2,0,0,0,0|2,0,0]=4 1805 B9R0.5 C/C=C/C=CC(=O)CCO 1458a_100000185730_100000211926 [0,2,0,0,0,0|2,0,0]=4 1806 B9R0.5 C/C=C/C=CC(=O)NCC 11a_100015525214_100000185730 [0,2,0,0,0,0|1,0,0]=3 1807 B9R0.5 C/C=C/C=CC(=O)NCC 240690a_100015525214_100000185730 [0,2,0,0,0,0|1,0,0]=3 1808 B9R0.5 C/C=C/C=CC(=O)NNC 22a_100016993582_100000185730 [0,2,0,0,0,0|2,0,0]=4 1809 B9R0.5 C/C=C/COC(C)/C=C/C 34a_200102604097_100102629194 [0,2,0,0,0,0|1,0,1]=4 1810 B9R0.5 C=CCC(=O)C=COCC 1458a_100016266692_100000210623 [0,2,0,0,0,0|0,0,2]=4 1811 B9R0.5 C=CCC(=O)CCOCC 1458a_100000210193_100011215890 [0,2,0,0,0,0|0,0,2]=4 1812 B9R0.5 C=CCC(=O)CCOCC 1458a_100000749530_100000210623 [0,2,0,0,0,0|0,0,2]=4 1813 B9R0.5 C=CCC(=O)COCCC 1458a_100000745993_100000210623 [0,2,0,0,0,0|0,0,2]=4 1814 B9R0.5 C=CCC(=O)COCCO 1458a_100000708028_100000210623 [0,2,0,0,0,0|0,0,2]=4 1815 B9R0.5 C=CCCCC(=O)C=CBr 1458a_100016273825_100000757094 [0,2,0,0,0,0|2,0,0]=4 1816 B9R0.5 C=CCCCC(=O)C=CC 1458a_100000210699_100000757094 [0,2,0,0,0,0|1,0,0]=3 1817 B9R0.5 C=CCCCC(=O)C=CCl 1458a_200016279998_100000757094 [0,2,0,0,0,0|2,0,0]=4 1818 B9R0.5 C=CCCCC(=O)C=CI 1458a_100016256311_100000757094 [0,2,0,0,0,0|2,0,0]=4 1819 B9R0.5 C=CCCNC(=O)C=CBr 1626a_100015191253_100016273825 [0,2,0,0,0,0|2,0,0]=4 1820 B9R0.5 C=CCCNC(=O)C=CBr 240690a_100015191253_100016273825 [0,2,0,0,0,0|2,0,0]=4 1821 B9R0.5 C=CCCNC(=O)C=CC 11a_100015191253_100000210699 [0,2,0,0,0,0|1,0,0]=3 1822 B9R0.5 C=CCCNC(=O)C=CC 1626a_100015191253_100000210699 [0,2,0,0,0,0|1,0,0]=3 1823 B9R0.5 C=CCCNC(=O)C=CC 240690a_100015191253_100000210699 [0,2,0,0,0,0|1,0,0]=3 1824 B9R0.5 C=CCCNC(=O)C=CCl 11a_100015191253_200016279998 [0,2,0,0,0,0|2,0,0]=4 1825 B9R0.5 C=CCCNC(=O)C=CCl 1626a_100015191253_200016279998 [0,2,0,0,0,0|2,0,0]=4 1826 B9R0.5 C=CCCNC(=O)C=CCl 240690a_100015191253_200016279998 [0,2,0,0,0,0|2,0,0]=4 1827 B9R0.5 C=CCCNC(=O)C=CI 1626a_100015191253_100016256311 [0,2,0,0,0,0|2,0,0]=4 1828 B9R0.5 C=CCCOC(C)/C=C/C 34a_200102604097_100000754431 [0,2,0,0,0,0|1,0,1]=4 1829 B9R0.5 C=CCNCC(=O)OCC 2230a_100020586998_100000188475 [0,2,0,0,0,0|0,0,2]=4 1830 B9R0.5 C=CCNNC(=O)C=CC 22a_100020588587_100000210699 [0,2,0,0,0,0|1,0,1]=4 1831 B9R0.5 C=CCOCC(=O)OCC 34a_200000210373_100000188475 [0,2,0,0,0,0|0,0,2]=4 1832 B9R0.5 C=CCSCC(=O)OCC 62a_100000188475_100000210623 [0,2,0,0,0,0|0,0,2]=4 1833 B9R0.5 C=CCSCC(=O)OCC 62a_100000210623_100000188475 [0,2,0,0,0,0|0,0,2]=4 1834 B9R0.5 C=COC(=O)COCCBr 34a_100000211926_100000036128 [0,2,0,0,0,0|1,0,1]=4 1835 B9R0.5 C=COC(=O)COCCC 34a_100000210258_100000036128 [0,2,0,0,0,0|1,0,1]=4 1836 B9R0.5 C=COC(=O)COCCN 34a_100000210304_100000036128 [0,2,0,0,0,0|1,0,1]=4 1837 B9R0.5 C=COCCC(=O)C=CC 1458a_100000210699_100000039644 [0,2,0,0,0,0|0,0,2]=4 1838 B9R0.5 CC#CC(=O)C/C=C\CC 1458a_100000763181_100103147603 [0,2,0,0,0,0|1,0,1]=4 1839 B9R0.5 CC#CC(=O)CCOCC 1458a_100000763181_100011215890 [0,2,0,0,0,0|0,0,2]=4 1840 B9R0.5 CC#CCNC(=O)C=CBr 1626a_100000685387_100016273825 [0,2,0,0,0,0|2,0,0]=4 1841 B9R0.5 CC#CCNC(=O)C=CC 11a_100000685387_100000210699 [0,2,0,0,0,0|1,0,0]=3 1842 B9R0.5 CC#CCNC(=O)C=CC 1626a_100000685387_100000210699 [0,2,0,0,0,0|1,0,0]=3 1843 B9R0.5 CC#CCNC(=O)C=CCl 11a_100000685387_200016279998 [0,2,0,0,0,0|2,0,0]=4 1844 B9R0.5 CC#CCNC(=O)C=CCl 1626a_100000685387_200016279998 [0,2,0,0,0,0|2,0,0]=4 1845 B9R0.5 CC#CCNC(=O)C=CI 1626a_100000685387_100016256311 [0,2,0,0,0,0|2,0,0]=4 1846 B9R0.5 CC#CCOC(C)/C=C/C 34a_200102604097_100000748600 [0,2,0,0,0,0|1,0,1]=4 1847 B9R0.5 CC/C=C/CC(=O)CCC 1458a_100016274230_100000210303 [0,2,0,0,0,0|1,0,0]=3 1848 B9R0.5 CC/C=C/CC(=O)CCF 1458a_100016274230_100011217306 [0,2,0,0,0,0|2,0,0]=4 1849 B9R0.5 CC/C=C/CC(=O)CCO 1458a_100016274230_100000211926 [0,2,0,0,0,0|2,0,0]=4 1850 B9R0.5 CC/C=C/CC(=O)NCC 11a_100015525214_100016274230 [0,2,0,0,0,0|1,0,0]=3 1851 B9R0.5 CC/C=C/CC(=O)NCC 240690a_100015525214_100016274230 [0,2,0,0,0,0|1,0,0]=3 1852 B9R0.5 CC/C=C/CC(=O)NCC 527a_100015525214_100016274230 [0,2,0,0,0,0|1,0,0]=3 1853 B9R0.5 CC/C=C/CC(=O)NNC 22a_100016993582_100016274230 [0,2,0,0,0,0|2,0,0]=4 1854 B9R0.5 CC/C=C\CC(=O)C=CBr 1458a_100016273825_100103147603 [0,2,0,0,0,0|2,0,0]=4 1855 B9R0.5 CC/C=C\CC(=O)C=CCl 1458a_200016279998_100103147603 [0,2,0,0,0,0|2,0,0]=4 1856 B9R0.5 CC/C=C\CC(=O)C=CI 1458a_100016256311_100103147603 [0,2,0,0,0,0|2,0,0]=4 1857 B9R0.5 CC/C=C\CC(=O)CCC 1458a_100000211992_100103147603 [0,2,0,0,0,0|1,0,0]=3 1858 B9R0.5 CC/C=C\CC(=O)CCO 1458a_100011216618_100103147603 [0,2,0,0,0,0|2,0,0]=4 1859 B9R0.5 CC/C=C\CC(=O)COC 1458a_100000210968_100103147603 [0,2,0,0,0,0|2,0,0]=4 1860 B9R0.5 CC/C=C\CC(=O)CSC 1458a_100000184570_100103147603 [0,2,0,0,0,0|2,0,0]=4 1861 B9R0.5 CC=CC(=NNCCC)C 4a_100000740057_100011218416 [0,2,0,0,0,0|2,0,0]=4 1862 B9R0.5 CC=CC(=NNCCO)C 4a_100000210001_100011218416 [0,2,0,0,0,0|2,0,0]=4 1863 B9R0.5 CC=CC(=O)C/C=C\CC 1458a_100000210699_100103147603 [0,2,0,0,0,0|1,0,0]=3 1864 B9R0.5 CC=CC(=O)CC#CCC 1458a_100000210699_100009813939 [0,2,0,0,0,0|1,0,0]=3 1865 B9R0.5 CC=CC(=O)CC#CCO 1458a_100000210699_200000047223 [0,2,0,0,0,0|1,0,1]=4 1866 B9R0.5 CC=CC(=O)CCCC#N 1458a_100000210699_100000211468 [0,2,0,0,0,0|1,0,0]=3 1867 B9R0.5 CC=CC(=O)CCCCC 1458a_100000210699_100000210326 [0,2,0,0,0,0|1,0,0]=3 1868 B9R0.5 CC=CC(=O)CCCCF 1458a_100000210699_100000729493 [0,2,0,0,0,0|1,0,0]=3 1869 B9R0.5 CC=CC(=O)CCCCO 1458a_100000210699_100000210776 [0,2,0,0,0,0|1,0,0]=3 1870 B9R0.5 CC=CC(=O)CCCOC 1458a_100000210699_100000740836 [0,2,0,0,0,0|1,0,0]=3 1871 B9R0.5 CC=CC(=O)CCOCC 1458a_100000210699_100011215890 [0,2,0,0,0,0|0,0,0]=2 1872 B9R0.5 CC=CC(=O)CCSCC 1458a_100000210699_100000757381 [0,2,0,0,0,0|0,1,0]=3 1873 B9R0.5 CC=CC(=O)NCCC#N 11a_100000720768_100000210699 [0,2,0,0,0,0|1,0,0]=3 1874 B9R0.5 CC=CC(=O)NCCC#N 1626a_100000720768_100000210699 [0,2,0,0,0,0|1,0,0]=3 1875 B9R0.5 CC=CC(=O)NCCC#N 240690a_100000720768_100000210699 [0,2,0,0,0,0|1,0,0]=3 1876 B9R0.5 CC=CC(=O)NCCCC 11a_100000102301_100000210699 [0,2,0,0,0,0|1,0,0]=3 1877 B9R0.5 CC=CC(=O)NCCCC 1626a_100000102301_100000210699 [0,2,0,0,0,0|1,0,0]=3 1878 B9R0.5 CC=CC(=O)NCCCC 240690a_100000102301_100000210699 [0,2,0,0,0,0|1,0,0]=3 1879 B9R0.5 CC=CC(=O)NCCCF 11a_100015189416_100000210699 [0,2,0,0,0,0|1,0,0]=3 1880 B9R0.5 CC=CC(=O)NCCCF 1626a_100015189416_100000210699 [0,2,0,0,0,0|1,0,0]=3 1881 B9R0.5 CC=CC(=O)NCCCF 240690a_100015189416_100000210699 [0,2,0,0,0,0|1,0,0]=3 1882 B9R0.5 CC=CC(=O)NCCCO 240690a_100000182051_100000210699 [0,2,0,0,0,0|1,0,0]=3 1883 B9R0.5 CC=CC(=O)NCCOC 1626a_100000209980_100000210699 [0,2,0,0,0,0|1,0,0]=3 1884 B9R0.5 CC=CC(=O)NCCOC 240690a_100000209980_100000210699 [0,2,0,0,0,0|1,0,0]=3 1885 B9R0.5 CC=CC(=O)NCCSC 11a_100020590264_100000210699 [0,2,0,0,0,0|1,0,0]=3 1886 B9R0.5 CC=CC(=O)NCCSC 1626a_100020590264_100000210699 [0,2,0,0,0,0|1,0,0]=3 1887 B9R0.5 CC=CC(=O)NCCSC 240690a_100020590264_100000210699 [0,2,0,0,0,0|1,0,0]=3 1888 B9R0.5 CC=CC(=O)NNCCC 22a_100000740057_100000210699 [0,2,0,0,0,0|1,0,0]=3 1889 B9R0.5 CC=CC(=O)NNCCO 22a_100000210001_100000210699 [0,2,0,0,0,0|1,0,0]=3 1890 B9R0.5 CC=CCOC(C)/C=C/C 34a_200102604097_100000070051 [0,2,0,0,0,0|1,0,1]=4 1891 B9R0.5 CCC#CCC(=O)C=CBr 1458a_100016273825_100009813939 [0,2,0,0,0,0|2,0,0]=4 1892 B9R0.5 CCC#CCC(=O)C=CCl 1458a_200016279998_100009813939 [0,2,0,0,0,0|2,0,0]=4 1893 B9R0.5 CCC#CCC(=O)C=CI 1458a_100016256311_100009813939 [0,2,0,0,0,0|2,0,0]=4 1894 B9R0.5 CCC=NNC(=O)CCC 4a_100000189770_100000210100 [0,2,0,0,0,0|1,0,1]=4 1895 B9R0.5 CCCC(=O)C=CCOC 1458a_100016285016_100000210303 [0,2,0,0,0,0|1,0,0]=3 1896 B9R0.5 CCCC(=O)C=COCC 1458a_100016266692_100000210303 [0,2,0,0,0,0|1,0,0]=3 1897 B9R0.5 CCCC(=O)CCOCC 1458a_100000211992_100011215890 [0,2,0,0,0,0|0,0,2]=4 1898 B9R0.5 CCCC(=O)CCOCC 1458a_100000749530_100000210303 [0,2,0,0,0,0|0,0,2]=4 1899 B9R0.5 CCCC(=O)COCCO 1458a_100000708028_100000210303 [0,2,0,0,0,0|0,0,2]=4 1900 B9R0.5 CCCC(=O)OCNCC 2230a_100015525214_100000034017 [0,2,0,0,0,0|0,0,2]=4 1901 B9R0.5 CCCC(=O)OCOCC 34a_100121572206_100000034017 [0,2,0,0,0,0|0,0,2]=4 1902 B9R0.5 CCCC(=O)OCSCC 62a_100000210202_100000034017 [0,2,0,0,0,0|0,0,2]=4 1903 B9R0.5 CCCC(=O)OCSCF 62a_100015361967_100000034017 [0,2,0,0,0,0|0,0,2]=4 1904 B9R0.5 CCCC=CC(=O)CCC 1458a_100000212230_100000210303 [0,2,0,0,0,0|1,0,0]=3 1905 B9R0.5 CCCC=CC(=O)CCF 1458a_100000212230_100011217306 [0,2,0,0,0,0|2,0,0]=4 1906 B9R0.5 CCCC=CC(=O)CCO 1458a_100000212230_100000211926 [0,2,0,0,0,0|2,0,0]=4 1907 B9R0.5 CCCC=CC(=O)NCC 11a_100015525214_100000212230 [0,2,0,0,0,0|1,0,0]=3 1908 B9R0.5 CCCC=CC(=O)NCC 240690a_100015525214_100000212230 [0,2,0,0,0,0|1,0,0]=3 1909 B9R0.5 CCCC=CC(=O)NNC 22a_100016993582_100000212230 [0,2,0,0,0,0|2,0,0]=4 1910 B9R0.5 CCCCCC(=O)C=CBr 1458a_100016273825_100000210326 [0,2,0,0,0,0|2,0,0]=4 1911 B9R0.5 CCCCCC(=O)C=CCl 1458a_200016279998_100000210326 [0,2,0,0,0,0|2,0,0]=4 1912 B9R0.5 CCCCCC(=O)C=CI 1458a_100016256311_100000210326 [0,2,0,0,0,0|2,0,0]=4 1913 B9R0.5 CCCCNC(=O)C=CBr 1626a_100000102301_100016273825 [0,2,0,0,0,0|2,0,0]=4 1914 B9R0.5 CCCCNC(=O)C=CBr 240690a_100000102301_100016273825 [0,2,0,0,0,0|2,0,0]=4 1915 B9R0.5 CCCCNC(=O)C=CCl 11a_100000102301_200016279998 [0,2,0,0,0,0|2,0,0]=4 1916 B9R0.5 CCCCNC(=O)C=CCl 1626a_100000102301_200016279998 [0,2,0,0,0,0|2,0,0]=4 1917 B9R0.5 CCCCNC(=O)C=CCl 240690a_100000102301_200016279998 [0,2,0,0,0,0|2,0,0]=4 1918 B9R0.5 CCCCNC(=O)C=CI 1626a_100000102301_100016256311 [0,2,0,0,0,0|2,0,0]=4 1919 B9R0.5 CCCCOC(=O)CNC 2230a_106832991635_100000211628 [0,2,0,0,0,0|1,0,1]=4 1920 B9R0.5 CCCCOC(=O)CNC 34a_100102657272_100000211628 [0,2,0,0,0,0|1,0,1]=4 1921 B9R0.5 CCCCOC(=O)CNC 7a_106832991635_100000211628 [0,2,0,0,0,0|1,0,1]=4 1922 B9R0.5 CCCCOC(=O)COC 34a_100138415774_100000211628 [0,2,0,0,0,0|1,0,1]=4 1923 B9R0.5 CCCCOC(=O)CSC 62a_100000211628_200000210301 [0,2,0,0,0,0|1,0,1]=4 1924 B9R0.5 CCCCOC(=O)CSC 62a_200000210301_100000211628 [0,2,0,0,0,0|1,0,1]=4 1925 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_100000211628_200025704644 [0,2,0,0,0,0|1,0,1]=4 1926 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_200025704644_100000211628 [0,2,0,0,0,0|1,0,1]=4 1927 B9R0.5 CCCOCC(=O)CCC 1458a_100000745993_100000210303 [0,2,0,0,0,0|0,0,2]=4 1928 B9R0.5 CCCOCC(=O)NCC 11a_100015525214_100000745993 [0,2,0,0,0,0|1,0,1]=4 1929 B9R0.5 CCCOCC(=O)NCC 240690a_100015525214_100000745993 [0,2,0,0,0,0|1,0,1]=4 1930 B9R0.5 CCCOCC(=O)NCC 34a_100000210258_100000183381 [0,2,0,0,0,0|1,0,1]=4 1931 B9R0.5 CCCOCC(=O)NCC 527a_100015525214_100000745993 [0,2,0,0,0,0|1,0,1]=4 1932 B9R0.5 CCCOCC(=O)NNC 22a_100016993582_100000745993 [0,2,0,0,0,0|2,0,0]=4 1933 B9R0.5 CCCOCC(=O)OCC 34a_100000210258_100000188475 [0,2,0,0,0,0|0,0,2]=4 1934 B9R0.5 CCCSCC(=O)OCC 62a_100000188475_100000210303 [0,2,0,0,0,0|0,0,2]=4 1935 B9R0.5 CCCSCC(=O)OCC 62a_100000210303_100000188475 [0,2,0,0,0,0|0,0,2]=4 1936 B9R0.5 CCNC(=O)C=CCOC 11a_100015525214_100016285016 [0,2,0,0,0,0|1,0,0]=3 1937 B9R0.5 CCNC(=O)C=CCOC 240690a_100015525214_100016285016 [0,2,0,0,0,0|1,0,0]=3 1938 B9R0.5 CCNC(=O)C=COCC 11a_100015525214_100016266692 [0,2,0,0,0,0|1,0,0]=3 1939 B9R0.5 CCNC(=O)C=COCC 240690a_100015525214_100016266692 [0,2,0,0,0,0|1,0,0]=3 1940 B9R0.5 CCNC(=O)CCOCC 11a_100015525214_100000749530 [0,2,0,0,0,0|1,0,1]=4 1941 B9R0.5 CCNC(=O)CCOCC 240690a_100015525214_100000749530 [0,2,0,0,0,0|1,0,1]=4 1942 B9R0.5 CCNC(=O)CCOCC 527a_100015525214_100000749530 [0,2,0,0,0,0|1,0,1]=4 1943 B9R0.5 CCNC(=O)COCCBr 34a_100000211926_100000183381 [0,2,0,0,0,0|1,0,1]=4 1944 B9R0.5 CCNC(=O)COCCN 34a_100000210304_100000183381 [0,2,0,0,0,0|1,0,1]=4 1945 B9R0.5 CCNC(=O)COCCO 240690a_100015525214_100000708028 [0,2,0,0,0,0|1,0,1]=4 1946 B9R0.5 CCNCCC(=O)OCC 2230a_100015525214_100011206558 [0,2,0,0,0,0|0,0,2]=4 1947 B9R0.5 CCNN=CC(=O)OCC 4a_100000756455_100000742314 [0,2,0,0,0,0|0,0,1]=3 1948 B9R0.5 CCOC(=O)/C=C/CNC 2230a_106832991635_100016267167 [0,2,0,0,0,0|0,0,0]=2 1949 B9R0.5 CCOC(=O)/C=C/CNC 34a_100102657272_100016267167 [0,2,0,0,0,0|0,0,0]=2 1950 B9R0.5 CCOC(=O)/C=C/CNC 7a_106832991635_100016267167 [0,2,0,0,0,0|0,0,0]=2 1951 B9R0.5 CCOC(=O)/C=C/COC 34a_100138415774_100016267167 [0,2,0,0,0,0|0,0,0]=2 1952 B9R0.5 CCOC(=O)/C=C/CSC 62a_100016267167_200000210301 [0,2,0,0,0,0|0,0,0]=2 1953 B9R0.5 CCOC(=O)/C=C/CSC 62a_200000210301_100016267167 [0,2,0,0,0,0|0,0,0]=2 1954 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_100016267167_200025704644 [0,2,0,0,0,0|0,0,0]=2 1955 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_200025704644_100016267167 [0,2,0,0,0,0|0,0,0]=2 1956 B9R0.5 CCOC(=O)CCCNC 2230a_106832991635_100009991533 [0,2,0,0,0,0|0,0,2]=4 1957 B9R0.5 CCOC(=O)CCCNC 34a_100102657272_100009991533 [0,2,0,0,0,0|0,0,2]=4 1958 B9R0.5 CCOC(=O)CCCNC 7a_106832991635_100011215271 [0,2,0,0,0,0|0,0,2]=4 1959 B9R0.5 CCOC(=O)CCCOC 34a_100138415774_100009991533 [0,2,0,0,0,0|0,0,2]=4 1960 B9R0.5 CCOC(=O)CCCOC 7a_100012001163_200000210301 [0,2,0,0,0,0|0,0,2]=4 1961 B9R0.5 CCOC(=O)CCCO[13CH3] 7a_100012001163_200025704644 [0,2,0,0,0,0|0,0,2]=4 1962 B9R0.5 CCOC(=O)CCCSC 62a_100009991533_200000210301 [0,2,0,0,0,0|0,0,2]=4 1963 B9R0.5 CCOC(=O)CCCSC 62a_200000210301_100009991533 [0,2,0,0,0,0|0,0,2]=4 1964 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_100009991533_200025704644 [0,2,0,0,0,0|0,0,2]=4 1965 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_200025704644_100009991533 [0,2,0,0,0,0|0,0,2]=4 1966 B9R0.5 CCOC(=O)CCSCC 62a_100000210202_100000765890 [0,2,0,0,0,0|0,0,2]=4 1967 B9R0.5 CCOC(=O)CCSCC 62a_100000765890_100000210202 [0,2,0,0,0,0|0,0,2]=4 1968 B9R0.5 CCOC(=O)CCSCF 62a_100000765890_100015361967 [0,2,0,0,0,0|0,0,2]=4 1969 B9R0.5 CCOC(=O)CCSCF 62a_100015361967_100000765890 [0,2,0,0,0,0|0,0,2]=4 1970 B9R0.5 CCOC(=O)CNCCF 34a_100000724931_100000188475 [0,2,0,0,0,0|0,0,2]=4 1971 B9R0.5 CCOC(=O)CNCCO 2230a_100016997473_100000188475 [0,2,0,0,0,0|0,0,2]=4 1972 B9R0.5 CCOC(=O)CNCCO 34a_100016990907_100000188475 [0,2,0,0,0,0|0,0,2]=4 1973 B9R0.5 CCOC(=O)COCCBr 34a_100000211926_100000188475 [0,2,0,0,0,0|0,0,2]=4 1974 B9R0.5 CCOC(=O)COCCN 34a_100000210304_100000188475 [0,2,0,0,0,0|0,0,2]=4 1975 B9R0.5 CCOC(=O)CSCC#N 62a_100000188475_100011215382 [0,2,0,0,0,0|1,0,1]=4 1976 B9R0.5 CCOC(=O)CSCC#N 62a_100011215382_100000188475 [0,2,0,0,0,0|1,0,1]=4 1977 B9R0.5 CCOC(=O)CSCC=O 62a_100000188475_200015260668 [0,2,0,0,0,0|1,0,1]=4 1978 B9R0.5 CCOC(=O)CSCC=O 62a_200015260668_100000188475 [0,2,0,0,0,0|1,0,1]=4 1979 B9R0.5 CCOC(=O)CSCCF 62a_100000188475_100011217306 [0,2,0,0,0,0|0,0,2]=4 1980 B9R0.5 CCOC(=O)CSCCF 62a_100011217306_100000188475 [0,2,0,0,0,0|0,0,2]=4 1981 B9R0.5 CCOC(=O)CSCCO 62a_100000188475_100000211926 [0,2,0,0,0,0|0,0,2]=4 1982 B9R0.5 CCOC(=O)CSCCO 62a_100000211926_100000188475 [0,2,0,0,0,0|0,0,2]=4 1983 B9R0.5 CCOC(=O)CSCOC 62a_100000188475_100000766300 [0,2,0,0,0,0|0,0,2]=4 1984 B9R0.5 CCOC(=O)CSCOC 62a_100000766300_100000188475 [0,2,0,0,0,0|0,0,2]=4 1985 B9R0.5 CCOC(=O)CSCSC 62a_100000188475_100011218213 [0,2,0,0,0,0|0,0,2]=4 1986 B9R0.5 CCOC(=O)CSCSC 62a_100011218213_100000188475 [0,2,0,0,0,0|0,0,2]=4 1987 B9R0.5 CCOC(=O)NCCNC 7a_106832991635_200011445536 [0,2,0,0,0,0|0,0,2]=4 1988 B9R0.5 CCOC(=O)NCCOC 34a_100000158857_200000210301 [0,2,0,0,0,0|0,0,2]=4 1989 B9R0.5 CCOC(=O)NCCO[13CH3] 34a_100000158857_200025704644 [0,2,0,0,0,0|0,0,2]=4 1990 B9R0.5 CCOC(=O)NCCSC 62a_200000210301_200011445536 [0,2,0,0,0,0|0,0,2]=4 1991 B9R0.5 CCOC(=O)NCCS[13CH3] 62a_200025704644_200011445536 [0,2,0,0,0,0|0,0,2]=4 1992 B9R0.5 CCOC(=O)OCSCC 62a_100000210202_100000075025 [0,2,0,0,0,0|0,0,2]=4 1993 B9R0.5 CCOC(=O)OCSCF 62a_100015361967_100000075025 [0,2,0,0,0,0|1,0,1]=4 1994 B9R0.5 CCOC=CC(=O)CCF 1458a_100016266692_100011217306 [0,2,0,0,0,0|2,0,0]=4 1995 B9R0.5 CCOC=CC(=O)CCO 1458a_100016266692_100000211926 [0,2,0,0,0,0|2,0,0]=4 1996 B9R0.5 CCOC=CC(=O)NNC 22a_100016993582_100016266692 [0,2,0,0,0,0|2,0,0]=4 1997 B9R0.5 CCOCCC(=O)C=CBr 1458a_100016273825_100011215890 [0,2,0,0,0,0|1,0,0]=3 1998 B9R0.5 CCOCCC(=O)C=CCl 1458a_200016279998_100011215890 [0,2,0,0,0,0|1,0,0]=3 1999 B9R0.5 CCOCCC(=O)C=CI 1458a_100016256311_100011215890 [0,2,0,0,0,0|1,0,0]=3 2000 B9R0.5 CCOCCC(=O)COC 1458a_100000210968_100011215890 [0,2,0,0,0,0|1,0,1]=4 2001 B9R0.5 CCOCCC(=O)CSC 1458a_100000184570_100011215890 [0,2,0,0,0,0|1,0,1]=4 2002 B9R0.5 CCOCCC(=O)NNC 22a_100016993582_100000749530 [0,2,0,0,0,0|2,0,0]=4 2003 B9R0.5 CCOCCC(=O)OCC 34a_100121572206_100000765890 [0,2,0,0,0,0|0,0,2]=4 2004 B9R0.5 CCSCCC(=O)C=CBr 1458a_100016273825_100000757381 [0,2,0,0,0,0|1,1,0]=4 2005 B9R0.5 CCSCCC(=O)C=CCl 1458a_200016279998_100000757381 [0,2,0,0,0,0|1,1,0]=4 2006 B9R0.5 CCSCCC(=O)C=CI 1458a_100016256311_100000757381 [0,2,0,0,0,0|1,1,0]=4 2007 B9R0.5 CNCC(=O)OCCOC 2230a_106832991635_200000040189 [0,2,0,0,0,0|1,0,1]=4 2008 B9R0.5 CNCC(=O)OCCOC 34a_100102657272_200000040189 [0,2,0,0,0,0|1,0,1]=4 2009 B9R0.5 CNCC(=O)OCCOC 7a_106832991635_200000040189 [0,2,0,0,0,0|1,0,1]=4 2010 B9R0.5 CNNC(=O)C=CCOC 22a_100016993582_100016285016 [0,2,0,0,0,0|2,0,0]=4 2011 B9R0.5 COCC=CC(=O)CCF 1458a_100016285016_100011217306 [0,2,0,0,0,0|2,0,0]=4 2012 B9R0.5 COCC=CC(=O)CCO 1458a_100016285016_100000211926 [0,2,0,0,0,0|2,0,0]=4 2013 B9R0.5 COCCCC(=O)C=CBr 1458a_100016273825_100000740836 [0,2,0,0,0,0|2,0,0]=4 2014 B9R0.5 COCCCC(=O)C=CCl 1458a_200016279998_100000740836 [0,2,0,0,0,0|2,0,0]=4 2015 B9R0.5 COCCCC(=O)C=CI 1458a_100016256311_100000740836 [0,2,0,0,0,0|2,0,0]=4 2016 B9R0.5 COCCNC(=O)C=CBr 1626a_100000209980_100016273825 [0,2,0,0,0,0|2,0,0]=4 2017 B9R0.5 COCCNC(=O)C=CBr 240690a_100000209980_100016273825 [0,2,0,0,0,0|2,0,0]=4 2018 B9R0.5 COCCNC(=O)C=CCl 1626a_100000209980_200016279998 [0,2,0,0,0,0|2,0,0]=4 2019 B9R0.5 COCCNC(=O)C=CCl 240690a_100000209980_200016279998 [0,2,0,0,0,0|2,0,0]=4 2020 B9R0.5 COCCNC(=O)C=CI 1626a_100000209980_100016256311 [0,2,0,0,0,0|2,0,0]=4 2021 B9R0.5 COCCOC(=O)COC 34a_100138415774_200000040189 [0,2,0,0,0,0|1,0,1]=4 2022 B9R0.5 COCCOC(=O)CSC 62a_200000040189_200000210301 [0,2,0,0,0,0|1,0,1]=4 2023 B9R0.5 COCCOC(=O)CSC 62a_200000210301_200000040189 [0,2,0,0,0,0|1,0,1]=4 2024 B9R0.5 COCCOC(=O)CS[13CH3] 62a_200000040189_200025704644 [0,2,0,0,0,0|1,0,1]=4 2025 B9R0.5 COCCOC(=O)CS[13CH3] 62a_200025704644_200000040189 [0,2,0,0,0,0|1,0,1]=4 2026 B9R0.5 CSCCNC(=O)C=CBr 1626a_100020590264_100016273825 [0,2,0,0,0,0|2,0,0]=4 2027 B9R0.5 CSCCNC(=O)C=CBr 240690a_100020590264_100016273825 [0,2,0,0,0,0|2,0,0]=4 2028 B9R0.5 CSCCNC(=O)C=CCl 11a_100020590264_200016279998 [0,2,0,0,0,0|2,0,0]=4 2029 B9R0.5 CSCCNC(=O)C=CCl 1626a_100020590264_200016279998 [0,2,0,0,0,0|2,0,0]=4 2030 B9R0.5 CSCCNC(=O)C=CCl 240690a_100020590264_200016279998 [0,2,0,0,0,0|2,0,0]=4 2031 B9R0.5 CSCCNC(=O)C=CI 1626a_100020590264_100016256311 [0,2,0,0,0,0|2,0,0]=4 2032 B9R0.5 N#CCCCC(=O)C=CBr 1458a_100016273825_100000211468 [0,2,0,0,0,0|2,0,0]=4 2033 B9R0.5 N#CCCCC(=O)C=CCl 1458a_200016279998_100000211468 [0,2,0,0,0,0|2,0,0]=4 2034 B9R0.5 N#CCCCC(=O)C=CI 1458a_100016256311_100000211468 [0,2,0,0,0,0|2,0,0]=4 2035 B9R0.5 N#CCCNC(=O)C=CBr 1626a_100000720768_100016273825 [0,2,0,0,0,0|2,0,0]=4 2036 B9R0.5 N#CCCNC(=O)C=CBr 240690a_100000720768_100016273825 [0,2,0,0,0,0|2,0,0]=4 2037 B9R0.5 N#CCCNC(=O)C=CCl 11a_100000720768_200016279998 [0,2,0,0,0,0|2,0,0]=4 2038 B9R0.5 N#CCCNC(=O)C=CCl 1626a_100000720768_200016279998 [0,2,0,0,0,0|2,0,0]=4 2039 B9R0.5 N#CCCNC(=O)C=CCl 240690a_100000720768_200016279998 [0,2,0,0,0,0|2,0,0]=4 2040 B9R0.5 N#CCCNC(=O)C=CI 1626a_100000720768_100016256311 [0,2,0,0,0,0|2,0,0]=4 2041 B9R0.5 O=C(C=CBr)CCCCF 1458a_100016273825_100000729493 [0,2,0,0,0,0|2,0,0]=4 2042 B9R0.5 O=C(C=CBr)CCCCO 1458a_100016273825_100000210776 [0,2,0,0,0,0|2,0,0]=4 2043 B9R0.5 O=C(C=CBr)NCCCF 1626a_100015189416_100016273825 [0,2,0,0,0,0|2,0,0]=4 2044 B9R0.5 O=C(C=CBr)NCCCF 240690a_100015189416_100016273825 [0,2,0,0,0,0|2,0,0]=4 2045 B9R0.5 O=C(C=CBr)NCCCO 240690a_100000182051_100016273825 [0,2,0,0,0,0|2,0,0]=4 2046 B9R0.5 O=C(C=CCl)CCCCF 1458a_200016279998_100000729493 [0,2,0,0,0,0|2,0,0]=4 2047 B9R0.5 O=C(C=CCl)CCCCO 1458a_200016279998_100000210776 [0,2,0,0,0,0|2,0,0]=4 2048 B9R0.5 O=C(C=CCl)NCCCF 11a_100015189416_200016279998 [0,2,0,0,0,0|2,0,0]=4 2049 B9R0.5 O=C(C=CCl)NCCCF 1626a_100015189416_200016279998 [0,2,0,0,0,0|2,0,0]=4 2050 B9R0.5 O=C(C=CCl)NCCCF 240690a_100015189416_200016279998 [0,2,0,0,0,0|2,0,0]=4 2051 B9R0.5 O=C(C=CCl)NCCCO 240690a_100000182051_200016279998 [0,2,0,0,0,0|2,0,0]=4 2052 B9R0.5 O=C(C=CI)CCCCF 1458a_100016256311_100000729493 [0,2,0,0,0,0|2,0,0]=4 2053 B9R0.5 O=C(C=CI)CCCCO 1458a_100016256311_100000210776 [0,2,0,0,0,0|2,0,0]=4 2054 B9R0.5 O=C(C=CI)NCCCF 1626a_100015189416_100016256311 [0,2,0,0,0,0|2,0,0]=4 2055 B9R0.8 C#CCCC(=O)/C(=C/C)/C 1458a_100020587367_100000753159 [0,2,0,0,0,0|1,0,1]=4 2056 B9R0.8 C#CCNC(=O)/C(=C/C)/C 11a_100000212058_100020587367 [0,2,0,0,0,0|1,0,1]=4 2057 B9R0.8 C#CCNC(=O)/C(=C/C)/C 1626a_100000212058_100020587367 [0,2,0,0,0,0|1,0,1]=4 2058 B9R0.8 C/C=C(\C)/C(=NNCC)C 4a_100000756455_100020675665 [0,2,0,0,0,0|2,0,0]=4 2059 B9R0.8 C/C=C(\C)/C(=O)CCC#N 1458a_100020587367_100011215226 [0,2,0,0,0,0|1,0,1]=4 2060 B9R0.8 C/C=C(\C)/C(=O)CCCC 1458a_100020587367_100000210211 [0,2,0,0,0,0|1,0,0]=3 2061 B9R0.8 C/C=C(\C)/C(=O)CCCF 1458a_100020587367_100011934791 [0,2,0,0,0,0|1,0,0]=3 2062 B9R0.8 C/C=C(\C)/C(=O)CCCO 1458a_100020587367_100011215043 [0,2,0,0,0,0|1,0,0]=3 2063 B9R0.8 C/C=C(\C)/C(=O)CCOC 1458a_100020587367_100000233755 [0,2,0,0,0,0|1,0,0]=3 2064 B9R0.8 C/C=C(\C)/C(=O)CCSC 1458a_100020587367_100000751147 [0,2,0,0,0,0|1,0,0]=3 2065 B9R0.8 C/C=C(\C)/C(=O)NCC#N 1626a_100000734998_100020587367 [0,2,0,0,0,0|1,0,1]=4 2066 B9R0.8 C/C=C(\C)/C(=O)NCCC 11a_100020643023_100020587367 [0,2,0,0,0,0|1,0,0]=3 2067 B9R0.8 C/C=C(\C)/C(=O)NCCC 1626a_100020643023_100020587367 [0,2,0,0,0,0|1,0,0]=3 2068 B9R0.8 C/C=C(\C)/C(=O)NCCF 11a_100000724931_100020587367 [0,2,0,0,0,0|1,0,0]=3 2069 B9R0.8 C/C=C(\C)/C(=O)NCCF 1626a_100000724931_100020587367 [0,2,0,0,0,0|1,0,0]=3 2070 B9R0.8 C/C=C(\C)/C(=O)NNCC 22a_100000756455_100020587367 [0,2,0,0,0,0|1,0,0]=3 2071 B9R0.8 C/C=C/CC(=O)/C(=C/C)/C 1458a_100020587367_100102629194 [0,2,0,0,0,0|1,0,1]=4 2072 B9R0.8 C/C=C/CC(=O)C(=O)NC 1458a_100011218921_100102629194 [0,2,0,0,0,0|2,0,0]=4 2073 B9R0.8 C/C=C/CC(=O)C(C)CC 1458a_100011192722_100102629194 [0,2,0,0,0,0|1,0,0]=3 2074 B9R0.8 C/C=C/CC(=O)C(C)OC 1458a_100000743197_100102629194 [0,2,0,0,0,0|2,0,0]=4 2075 B9R0.8 C/C=C/CC(=O)C(C)SC 1458a_100000149566_100102629194 [0,2,0,0,0,0|2,0,0]=4 2076 B9R0.8 C/C=C/CC(=O)C(O)CC 1458a_100011196387_100102629194 [0,2,0,0,0,0|1,0,0]=3 2077 B9R0.8 C/C=C/CC(=O)C(O)CO 1458a_100011215603_100102629194 [0,2,0,0,0,0|2,0,0]=4 2078 B9R0.8 C=C(COCC)C(=O)OC 34a_100121572206_100009813391 [0,2,0,0,0,0|2,0,0]=4 2079 B9R0.8 C=CC=CC(=O)C(C)CC 1458a_100016291481_100000758301 [0,2,0,0,0,0|1,0,1]=4 2080 B9R0.8 C=CC=CC(=O)N(C)CC 1626a_100000225621_100016291481 [0,2,0,0,0,0|1,0,1]=4 2081 B9R0.8 C=CCCC(=O)/C(=C/C)/C 1458a_100020587367_100000754431 [0,2,0,0,0,0|1,0,1]=4 2082 B9R0.8 C=CCNC(=O)/C(=C/C)/C 1626a_100020586998_100020587367 [0,2,0,0,0,0|1,0,1]=4 2083 B9R0.8 CC#CCC(=O)/C(=C/C)/C 1458a_100020587367_100000748600 [0,2,0,0,0,0|1,0,1]=4 2084 B9R0.8 CC=CCC(=O)/C(=C/C)/C 1458a_100020587367_100000070051 [0,2,0,0,0,0|1,0,1]=4 2085 B9R0.8 CC=CCC(=O)C(=O)NC 1458a_100011218921_100000070051 [0,2,0,0,0,0|2,0,0]=4 2086 B9R0.8 CC=CCC(=O)C(C)CC 1458a_100011192722_100000070051 [0,2,0,0,0,0|1,0,0]=3 2087 B9R0.8 CC=CCC(=O)C(C)CC 1458a_100121576822_100000758301 [0,2,0,0,0,0|1,0,0]=3 2088 B9R0.8 CC=CCC(=O)C(C)OC 1458a_100000743197_100000070051 [0,2,0,0,0,0|2,0,0]=4 2089 B9R0.8 CC=CCC(=O)C(C)SC 1458a_100000149566_100000070051 [0,2,0,0,0,0|2,0,0]=4 2090 B9R0.8 CC=CCC(=O)C(O)CC 1458a_100011196387_100000070051 [0,2,0,0,0,0|1,0,0]=3 2091 B9R0.8 CC=CCC(=O)C(O)CO 1458a_100011215603_100000070051 [0,2,0,0,0,0|2,0,0]=4 2092 B9R0.8 CC=CCC(=O)N(C)CC 11a_100000225621_100121576822 [0,2,0,0,0,0|1,0,0]=3 2093 B9R0.8 CC=CCC(=O)N(C)CC 1626a_100000225621_100121576822 [0,2,0,0,0,0|1,0,0]=3 2094 B9R0.8 CC=CCC(=O)N(C)CC 240690a_100000225621_100121576822 [0,2,0,0,0,0|1,0,0]=3 2095 B9R0.8 CC=CCC(=O)N(C)CC 527a_100000225621_100121576822 [0,2,0,0,0,0|1,0,0]=3 2096 B9R0.8 CC=NNC(=O)C(C)CC 4a_100000740736_200000210099 [0,2,0,0,0,0|2,0,0]=4 2097 B9R0.8 CCC(C)C(=O)C=COC 1458a_100016268678_100000758301 [0,2,0,0,0,0|1,0,0]=3 2098 B9R0.8 CCC=CC(=O)C(C)CC 1458a_100000212282_100000758301 [0,2,0,0,0,0|1,0,0]=3 2099 B9R0.8 CCC=CC(=O)N(C)CC 11a_100000225621_100000212282 [0,2,0,0,0,0|1,0,0]=3 2100 B9R0.8 CCC=CC(=O)N(C)CC 1626a_100000225621_100000212282 [0,2,0,0,0,0|1,0,0]=3 2101 B9R0.8 CCC=CC(=O)N(C)CC 240690a_100000225621_100000212282 [0,2,0,0,0,0|1,0,0]=3 2102 B9R0.8 CCCCC(=O)C(=O)NC 1458a_100011218921_100000210211 [0,2,0,0,0,0|2,0,0]=4 2103 B9R0.8 CCCNC(=O)C(=O)CC 1458a_200011297150_100000210202 [0,2,0,0,0,0|1,0,1]=4 2104 B9R0.8 CCCNC(=O)C(=O)NC 1626a_100020643023_100011218921 [0,2,0,0,0,0|2,0,0]=4 2105 B9R0.8 CCCNC(=O)C(=O)NC 1626a_100102657272_200011297150 [0,2,0,0,0,0|2,0,0]=4 2106 B9R0.8 CCCNC(=O)C(=O)NC 240690a_100020643023_100011218921 [0,2,0,0,0,0|2,0,0]=4 2107 B9R0.8 CCCNC(=O)C(=O)NC 240690a_100102657272_200011297150 [0,2,0,0,0,0|2,0,0]=4 2108 B9R0.8 CCCNC(=O)C(=O)NC 527a_100020643023_100011218921 [0,2,0,0,0,0|2,0,0]=4 2109 B9R0.8 CCCNC(=O)C(=O)NC 527a_100102657272_200011297150 [0,2,0,0,0,0|2,0,0]=4 2110 B9R0.8 CCCNC(=O)C(=O)OC 11a_100020643023_100000024059 [0,2,0,0,0,0|2,0,0]=4 2111 B9R0.8 CCCNC(=O)C(=O)OC 1626a_100020643023_100000024059 [0,2,0,0,0,0|2,0,0]=4 2112 B9R0.8 CCCNC(=O)C(=O)OC 240690a_100020643023_100000024059 [0,2,0,0,0,0|2,0,0]=4 2113 B9R0.8 CCCNC(=O)C(=O)OC 527a_100020643023_100000024059 [0,2,0,0,0,0|2,0,0]=4 2114 B9R0.8 CCCOC(=O)C(C)NC 2230a_106832991635_100000760410 [0,2,0,0,0,0|1,0,1]=4 2115 B9R0.8 CCCOC(=O)C(C)NC 34a_100102657272_100000760410 [0,2,0,0,0,0|1,0,1]=4 2116 B9R0.8 CCCOC(=O)C(C)NC 7a_106832991635_100000760410 [0,2,0,0,0,0|1,0,1]=4 2117 B9R0.8 CCCOC(=O)C(C)OC 34a_100000037348_200000210301 [0,2,0,0,0,0|1,0,1]=4 2118 B9R0.8 CCCOC(=O)C(C)OC 34a_100138415774_100000760410 [0,2,0,0,0,0|1,0,1]=4 2119 B9R0.8 CCCOC(=O)C(C)OC 7a_100000037348_200000210301 [0,2,0,0,0,0|1,0,1]=4 2120 B9R0.8 CCCOC(=O)C(C)O[13CH3] 34a_100000037348_200025704644 [0,2,0,0,0,0|1,0,1]=4 2121 B9R0.8 CCCOC(=O)C(C)O[13CH3] 7a_100000037348_200025704644 [0,2,0,0,0,0|1,0,1]=4 2122 B9R0.8 CCCOC(=O)C(C)SC 62a_100000760410_200000210301 [0,2,0,0,0,0|1,0,1]=4 2123 B9R0.8 CCCOC(=O)C(C)SC 62a_200000210301_100000760410 [0,2,0,0,0,0|1,0,1]=4 2124 B9R0.8 CCCOC(=O)C(C)S[13CH3] 62a_100000760410_200025704644 [0,2,0,0,0,0|1,0,1]=4 2125 B9R0.8 CCCOC(=O)C(C)S[13CH3] 62a_200025704644_100000760410 [0,2,0,0,0,0|1,0,1]=4 2126 B9R0.8 CCN(C)C(=O)C=COC 1626a_100000225621_100016268678 [0,2,0,0,0,0|1,0,0]=3 2127 B9R0.8 CCN(C)C(=O)C=COC 240690a_100000225621_100016268678 [0,2,0,0,0,0|1,0,0]=3 2128 B9R0.8 CCNNC(=O)C(=O)NC 22a_100000756455_100011218921 [0,2,0,0,0,0|2,0,0]=4 2129 B9R0.8 CCOCC(=O)C(=O)OC 34a_100121572206_100011610305 [0,2,0,0,0,0|1,0,0]=3 2130 B9R0.8 CCOCC(=O)C(C)CC 1458a_100000211967_100000758301 [0,2,0,0,0,0|0,0,2]=4 2131 B9R0.8 CCOCC(=O)N(C)CC 11a_100000225621_100000211967 [0,2,0,0,0,0|1,0,1]=4 2132 B9R0.8 CCOCC(=O)N(C)CC 1626a_100000225621_100000211967 [0,2,0,0,0,0|1,0,1]=4 2133 B9R0.8 CCOCC(=O)N(C)CC 240690a_100000225621_100000211967 [0,2,0,0,0,0|1,0,1]=4 2134 B9R0.8 CCOCC(=O)N(C)CC 34a_100121572206_100000738999 [0,2,0,0,0,0|1,0,1]=4 2135 B9R0.8 CCOCC(=O)N(C)CC 527a_100000225621_100000211967 [0,2,0,0,0,0|1,0,1]=4 2136 B9R0.8 CCSCC(=O)C(=O)OC 62a_100000210202_100011610305 [0,2,0,0,0,0|1,1,0]=4 2137 B9R0.8 CCSCC(=O)C(=O)OC 62a_100011610305_100000210202 [0,2,0,0,0,0|1,1,0]=4 2138 B9R0.8 CNC(=O)C(=O)CCCF 1458a_100011218921_100011934791 [0,2,0,0,0,0|2,0,0]=4 2139 B9R0.8 CNC(=O)C(=O)CCCO 1458a_100011218921_100011215043 [0,2,0,0,0,0|2,0,0]=4 2140 B9R0.8 CNC(=O)C(=O)CCOC 1458a_100011218921_100000233755 [0,2,0,0,0,0|2,0,0]=4 2141 B9R0.8 CNC(=O)C(=O)CCSC 1458a_100011218921_100000751147 [0,2,0,0,0,0|2,0,0]=4 2142 B9R0.8 CNC(=O)C(=O)NCCF 1626a_100000724931_100011218921 [0,2,0,0,0,0|2,0,0]=4 2143 B9R0.8 CNC(=O)C(=O)NCCF 240690a_100000724931_100011218921 [0,2,0,0,0,0|2,0,0]=4 2144 B9R0.8 CNC(=O)C(=O)NCCF 527a_100000724931_100011218921 [0,2,0,0,0,0|2,0,0]=4 2145 B9R0.8 CNC(=O)C(=O)NCCO 240690a_100000210304_100011218921 [0,2,0,0,0,0|2,0,0]=4 2146 B9R0.8 CNC(=O)C(=O)NCCO 527a_100000210304_100011218921 [0,2,0,0,0,0|2,0,0]=4 2147 B9R0.8 COC(=O)C(=O)NCCF 11a_100000724931_100000024059 [0,2,0,0,0,0|2,0,0]=4 2148 B9R0.8 COC(=O)C(=O)NCCF 1626a_100000724931_100000024059 [0,2,0,0,0,0|2,0,0]=4 2149 B9R0.8 COC(=O)C(=O)NCCF 240690a_100000724931_100000024059 [0,2,0,0,0,0|2,0,0]=4 2150 B9R0.8 COC(=O)C(=O)NCCF 527a_100000724931_100000024059 [0,2,0,0,0,0|2,0,0]=4 2151 B9R0.8 COC(=O)C(=O)NCCO 240690a_100000210304_100000024059 [0,2,0,0,0,0|2,0,0]=4 2152 B9R0.8 COC(=O)C(=O)NCCO 527a_100000210304_100000024059 [0,2,0,0,0,0|2,0,0]=4 2153 B9R0.18 C#CCCC(=O)C/C=C/C 1458a_100000692101_100102629194 [0,2,0,0,0,0|1,0,1]=4 2154 B9R0.18 C#CCCC(=O)C=CCC 1458a_100000212282_100000753159 [0,2,0,0,0,0|1,0,1]=4 2155 B9R0.18 C#CCCC(=O)C=COC 1458a_100016268678_100000753159 [0,2,0,0,0,0|1,0,1]=4 2156 B9R0.18 C#CCCC(=O)CC=CC 1458a_100000692101_100000070051 [0,2,0,0,0,0|1,0,1]=4 2157 B9R0.18 C#CCCC(=O)CC=CC 1458a_100121576822_100000753159 [0,2,0,0,0,0|1,0,1]=4 2158 B9R0.18 C#CCNC(=O)C=CCC 11a_100000212058_100000212282 [0,2,0,0,0,0|1,0,1]=4 2159 B9R0.18 C#CCNC(=O)C=CCC 1626a_100000212058_100000212282 [0,2,0,0,0,0|1,0,1]=4 2160 B9R0.18 C#CCNC(=O)C=CCC 240690a_100000212058_100000212282 [0,2,0,0,0,0|1,0,1]=4 2161 B9R0.18 C#CCNC(=O)C=COC 1626a_100000212058_100016268678 [0,2,0,0,0,0|1,0,1]=4 2162 B9R0.18 C#CCNC(=O)C=COC 240690a_100000212058_100016268678 [0,2,0,0,0,0|1,0,1]=4 2163 B9R0.18 C#CCNC(=O)CC=CC 11a_100000212058_100121576822 [0,2,0,0,0,0|1,0,1]=4 2164 B9R0.18 C#CCNC(=O)CC=CC 1626a_100000212058_100121576822 [0,2,0,0,0,0|1,0,1]=4 2165 B9R0.18 C#CCNC(=O)CC=CC 240690a_100000212058_100121576822 [0,2,0,0,0,0|1,0,1]=4 2166 B9R0.18 C#CCNC(=O)CC=CC 527a_100000212058_100121576822 [0,2,0,0,0,0|1,0,1]=4 2167 B9R0.18 C/C=C/CC(=O)C#CCC 1458a_100011827653_100102629194 [0,2,0,0,0,0|1,0,0]=3 2168 B9R0.18 C/C=C/CC(=O)C#CCO 1458a_100000049017_100102629194 [0,2,0,0,0,0|1,0,1]=4 2169 B9R0.18 C/C=C/CC(=O)C=CCC 1458a_100000212282_100102629194 [0,2,0,0,0,0|1,0,0]=3 2170 B9R0.18 C/C=C/CC(=O)C=COC 1458a_100016268678_100102629194 [0,2,0,0,0,0|1,0,1]=4 2171 B9R0.18 C/C=C/CC(=O)CCC#N 1458a_100011934036_100102629194 [0,2,0,0,0,0|1,0,1]=4 2172 B9R0.18 C/C=C/CC(=O)CCCC 1458a_100000210183_100102629194 [0,2,0,0,0,0|1,0,0]=3 2173 B9R0.18 C/C=C/CC(=O)CCOC 1458a_100000749529_100102629194 [0,2,0,0,0,0|1,0,0]=3 2174 B9R0.18 C/C=C/CC(=O)CCSC 1458a_100000174002_100102629194 [0,2,0,0,0,0|1,0,0]=3 2175 B9R0.18 C/C=C/CC(=O)COCC 1458a_100000211967_100102629194 [0,2,0,0,0,0|0,0,0]=2 2176 B9R0.18 C/C=C/CC(=O)CSCC 1458a_100000230394_100102629194 [0,2,0,0,0,0|0,1,0]=3 2177 B9R0.18 C=CC=CC(=O)CCCC 1458a_100016291481_100000210211 [0,2,0,0,0,0|1,0,1]=4 2178 B9R0.18 C=CC=CC(=O)CCCF 1458a_100016291481_100011934791 [0,2,0,0,0,0|1,0,1]=4 2179 B9R0.18 C=CC=CC(=O)CCCO 1458a_100016291481_100011215043 [0,2,0,0,0,0|1,0,1]=4 2180 B9R0.18 C=CC=CC(=O)CCOC 1458a_100016291481_100000233755 [0,2,0,0,0,0|1,0,1]=4 2181 B9R0.18 C=CC=CC(=O)CCSC 1458a_100016291481_100000751147 [0,2,0,0,0,0|1,0,1]=4 2182 B9R0.18 C=CC=CC(=O)NCCC 1626a_100020643023_100016291481 [0,2,0,0,0,0|1,0,1]=4 2183 B9R0.18 C=CC=CC(=O)NCCF 1626a_100000724931_100016291481 [0,2,0,0,0,0|1,0,1]=4 2184 B9R0.18 C=CC=CC(=O)NNCC 22a_100000756455_100016291481 [0,2,0,0,0,0|1,0,1]=4 2185 B9R0.18 C=CCCC(=O)C/C=C/C 1458a_100000749702_100102629194 [0,2,0,0,0,0|1,0,1]=4 2186 B9R0.18 C=CCCC(=O)C=CCC 1458a_100000212282_100000754431 [0,2,0,0,0,0|1,0,1]=4 2187 B9R0.18 C=CCCC(=O)C=COC 1458a_100016268678_100000754431 [0,2,0,0,0,0|1,0,1]=4 2188 B9R0.18 C=CCCC(=O)CC=CC 1458a_100000749702_100000070051 [0,2,0,0,0,0|1,0,1]=4 2189 B9R0.18 C=CCCC(=O)CC=CC 1458a_100121576822_100000754431 [0,2,0,0,0,0|1,0,1]=4 2190 B9R0.18 C=CCCC(=O)COCC 1458a_100000211967_100000754431 [0,2,0,0,0,0|0,0,2]=4 2191 B9R0.18 C=CCNC(=O)C=CCC 1626a_100020586998_100000212282 [0,2,0,0,0,0|1,0,1]=4 2192 B9R0.18 C=CCNC(=O)C=CCC 240690a_100020586998_100000212282 [0,2,0,0,0,0|1,0,1]=4 2193 B9R0.18 C=CCNC(=O)C=COC 1626a_100020586998_100016268678 [0,2,0,0,0,0|1,0,1]=4 2194 B9R0.18 C=CCNC(=O)C=COC 240690a_100020586998_100016268678 [0,2,0,0,0,0|1,0,1]=4 2195 B9R0.18 C=CCNC(=O)CC=CC 1626a_100020586998_100121576822 [0,2,0,0,0,0|1,0,1]=4 2196 B9R0.18 C=CCNC(=O)CC=CC 240690a_100020586998_100121576822 [0,2,0,0,0,0|1,0,1]=4 2197 B9R0.18 C=CCNC(=O)CC=CC 527a_100020586998_100121576822 [0,2,0,0,0,0|1,0,1]=4 2198 B9R0.18 C=CCNC(=O)COCC 1626a_100020586998_100000211967 [0,2,0,0,0,0|0,0,2]=4 2199 B9R0.18 C=CCNC(=O)COCC 240690a_100020586998_100000211967 [0,2,0,0,0,0|0,0,2]=4 2200 B9R0.18 C=CCNC(=O)COCC 527a_100020586998_100000211967 [0,2,0,0,0,0|0,0,2]=4 2201 B9R0.18 C=CCOC(=O)COCC 34a_100121572206_100000033060 [0,2,0,0,0,0|0,0,2]=4 2202 B9R0.18 CC#CCC(=O)C=CCC 1458a_100000212282_100000748600 [0,2,0,0,0,0|1,0,1]=4 2203 B9R0.18 CC#CCC(=O)C=COC 1458a_100016268678_100000748600 [0,2,0,0,0,0|1,0,1]=4 2204 B9R0.18 CC#CCC(=O)CC=CC 1458a_100121576822_100000748600 [0,2,0,0,0,0|1,0,1]=4 2205 B9R0.18 CC#CCC(=O)COCC 1458a_100000211967_100000748600 [0,2,0,0,0,0|0,0,2]=4 2206 B9R0.18 CC=CCC(=O)C#CCC 1458a_100011827653_100000070051 [0,2,0,0,0,0|1,0,0]=3 2207 B9R0.18 CC=CCC(=O)C#CCO 1458a_100000049017_100000070051 [0,2,0,0,0,0|1,0,1]=4 2208 B9R0.18 CC=CCC(=O)C/C=C/C 1458a_100121576822_100102629194 [0,2,0,0,0,0|1,0,1]=4 2209 B9R0.18 CC=CCC(=O)C=CCC 1458a_100000212282_100000070051 [0,2,0,0,0,0|1,0,0]=3 2210 B9R0.18 CC=CCC(=O)C=COC 1458a_100016268678_100000070051 [0,2,0,0,0,0|1,0,1]=4 2211 B9R0.18 CC=CCC(=O)CC=CC 1458a_100121576822_100000070051 [0,2,0,0,0,0|1,0,1]=4 2212 B9R0.18 CC=CCC(=O)CCC#N 1458a_100011934036_100000070051 [0,2,0,0,0,0|1,0,1]=4 2213 B9R0.18 CC=CCC(=O)CCC#N 1458a_100121576822_100011215226 [0,2,0,0,0,0|1,0,1]=4 2214 B9R0.18 CC=CCC(=O)CCCC 1458a_100000210183_100000070051 [0,2,0,0,0,0|1,0,0]=3 2215 B9R0.18 CC=CCC(=O)CCCC 1458a_100121576822_100000210211 [0,2,0,0,0,0|1,0,0]=3 2216 B9R0.18 CC=CCC(=O)CCCF 1458a_100121576822_100011934791 [0,2,0,0,0,0|1,0,0]=3 2217 B9R0.18 CC=CCC(=O)CCCO 1458a_100121576822_100011215043 [0,2,0,0,0,0|1,0,0]=3 2218 B9R0.18 CC=CCC(=O)CCOC 1458a_100000749529_100000070051 [0,2,0,0,0,0|1,0,0]=3 2219 B9R0.18 CC=CCC(=O)CCOC 1458a_100121576822_100000233755 [0,2,0,0,0,0|1,0,0]=3 2220 B9R0.18 CC=CCC(=O)CCSC 1458a_100000174002_100000070051 [0,2,0,0,0,0|1,0,0]=3 2221 B9R0.18 CC=CCC(=O)CCSC 1458a_100121576822_100000751147 [0,2,0,0,0,0|1,0,0]=3 2222 B9R0.18 CC=CCC(=O)COCC 1458a_100000211967_100000070051 [0,2,0,0,0,0|0,0,0]=2 2223 B9R0.18 CC=CCC(=O)CSCC 1458a_100000230394_100000070051 [0,2,0,0,0,0|0,1,0]=3 2224 B9R0.18 CC=CCC(=O)NCC#N 1626a_100000734998_100121576822 [0,2,0,0,0,0|1,0,1]=4 2225 B9R0.18 CC=CCC(=O)NCC#N 527a_100000734998_100121576822 [0,2,0,0,0,0|1,0,1]=4 2226 B9R0.18 CC=CCC(=O)NCCC 11a_100020643023_100121576822 [0,2,0,0,0,0|1,0,0]=3 2227 B9R0.18 CC=CCC(=O)NCCC 1626a_100020643023_100121576822 [0,2,0,0,0,0|1,0,0]=3 2228 B9R0.18 CC=CCC(=O)NCCC 240690a_100020643023_100121576822 [0,2,0,0,0,0|1,0,0]=3 2229 B9R0.18 CC=CCC(=O)NCCC 527a_100020643023_100121576822 [0,2,0,0,0,0|1,0,0]=3 2230 B9R0.18 CC=CCC(=O)NCCF 11a_100000724931_100121576822 [0,2,0,0,0,0|1,0,0]=3 2231 B9R0.18 CC=CCC(=O)NCCF 1626a_100000724931_100121576822 [0,2,0,0,0,0|1,0,0]=3 2232 B9R0.18 CC=CCC(=O)NCCF 240690a_100000724931_100121576822 [0,2,0,0,0,0|1,0,0]=3 2233 B9R0.18 CC=CCC(=O)NCCF 527a_100000724931_100121576822 [0,2,0,0,0,0|1,0,0]=3 2234 B9R0.18 CC=CCC(=O)NCCO 240690a_100000210304_100121576822 [0,2,0,0,0,0|1,0,0]=3 2235 B9R0.18 CC=CCC(=O)NCCO 527a_100000210304_100121576822 [0,2,0,0,0,0|1,0,0]=3 2236 B9R0.18 CC=CCC(=O)NNCC 22a_100000756455_100121576822 [0,2,0,0,0,0|1,0,0]=3 2237 B9R0.18 CC=NNC(=O)CCCC 4a_100000189769_200000210099 [0,2,0,0,0,0|2,0,0]=4 2238 B9R0.18 CC=NNC(=O)CCOC 4a_100011260505_200000210099 [0,2,0,0,0,0|2,0,0]=4 2239 B9R0.18 CC=NNC(=O)COCC 4a_100000216846_200000210099 [0,2,0,0,0,0|1,0,0]=3 2240 B9R0.18 CCC=CC(=O)CCC#N 1458a_100000212282_100011215226 [0,2,0,0,0,0|1,0,1]=4 2241 B9R0.18 CCC=CC(=O)CCCC 1458a_100000212282_100000210211 [0,2,0,0,0,0|1,0,0]=3 2242 B9R0.18 CCC=CC(=O)CCCF 1458a_100000212282_100011934791 [0,2,0,0,0,0|1,0,0]=3 2243 B9R0.18 CCC=CC(=O)CCCO 1458a_100000212282_100011215043 [0,2,0,0,0,0|1,0,0]=3 2244 B9R0.18 CCC=CC(=O)CCOC 1458a_100000212282_100000233755 [0,2,0,0,0,0|1,0,0]=3 2245 B9R0.18 CCC=CC(=O)CCSC 1458a_100000212282_100000751147 [0,2,0,0,0,0|1,0,0]=3 2246 B9R0.18 CCC=CC(=O)NCC#N 1626a_100000734998_100000212282 [0,2,0,0,0,0|1,0,1]=4 2247 B9R0.18 CCC=CC(=O)NCCC 11a_100020643023_100000212282 [0,2,0,0,0,0|1,0,0]=3 2248 B9R0.18 CCC=CC(=O)NCCC 1626a_100020643023_100000212282 [0,2,0,0,0,0|1,0,0]=3 2249 B9R0.18 CCC=CC(=O)NCCC 240690a_100020643023_100000212282 [0,2,0,0,0,0|1,0,0]=3 2250 B9R0.18 CCC=CC(=O)NCCF 11a_100000724931_100000212282 [0,2,0,0,0,0|1,0,0]=3 2251 B9R0.18 CCC=CC(=O)NCCF 1626a_100000724931_100000212282 [0,2,0,0,0,0|1,0,0]=3 2252 B9R0.18 CCC=CC(=O)NCCF 240690a_100000724931_100000212282 [0,2,0,0,0,0|1,0,0]=3 2253 B9R0.18 CCC=CC(=O)NCCO 240690a_100000210304_100000212282 [0,2,0,0,0,0|1,0,0]=3 2254 B9R0.18 CCC=CC(=O)NNCC 22a_100000756455_100000212282 [0,2,0,0,0,0|1,0,0]=3 2255 B9R0.18 CCCCC(=O)C=COC 1458a_100016268678_100000210211 [0,2,0,0,0,0|1,0,0]=3 2256 B9R0.18 CCCCC(=O)COCC 1458a_100000211967_100000210211 [0,2,0,0,0,0|0,0,2]=4 2257 B9R0.18 CCCNC(=O)C=COC 1626a_100020643023_100016268678 [0,2,0,0,0,0|1,0,0]=3 2258 B9R0.18 CCCNC(=O)C=COC 240690a_100020643023_100016268678 [0,2,0,0,0,0|1,0,0]=3 2259 B9R0.18 CCCNC(=O)COCC 11a_100020643023_100000211967 [0,2,0,0,0,0|0,0,2]=4 2260 B9R0.18 CCCNC(=O)COCC 1626a_100020643023_100000211967 [0,2,0,0,0,0|0,0,2]=4 2261 B9R0.18 CCCNC(=O)COCC 240690a_100020643023_100000211967 [0,2,0,0,0,0|0,0,2]=4 2262 B9R0.18 CCCNC(=O)COCC 34a_100121572206_100000183358 [0,2,0,0,0,0|0,0,2]=4 2263 B9R0.18 CCCNC(=O)COCC 527a_100020643023_100000211967 [0,2,0,0,0,0|0,0,2]=4 2264 B9R0.18 CCCOC(=O)CNCC 2230a_100015525214_200011215008 [0,2,0,0,0,0|0,0,2]=4 2265 B9R0.18 CCCOC(=O)COCC 34a_100121572206_200011215008 [0,2,0,0,0,0|0,0,2]=4 2266 B9R0.18 CCCOC(=O)CSCC 62a_100000210202_200011215008 [0,2,0,0,0,0|0,0,2]=4 2267 B9R0.18 CCCOC(=O)CSCC 62a_200011215008_100000210202 [0,2,0,0,0,0|0,0,2]=4 2268 B9R0.18 CCCOC(=O)CSCF 62a_100015361967_200011215008 [0,2,0,0,0,0|1,0,1]=4 2269 B9R0.18 CCCOC(=O)CSCF 62a_200011215008_100015361967 [0,2,0,0,0,0|1,0,1]=4 2270 B9R0.18 CCCOC(=O)OCNC 34a_100102657272_200000139673 [0,2,0,0,0,0|0,0,2]=4 2271 B9R0.18 CCCOC(=O)OCNC 7a_106832991635_200000139673 [0,2,0,0,0,0|0,0,2]=4 2272 B9R0.18 CCCOC(=O)OCOC 34a_100138415774_200000139673 [0,2,0,0,0,0|0,0,2]=4 2273 B9R0.18 CCCOC(=O)OCSC 62a_200000210301_200000139673 [0,2,0,0,0,0|0,0,2]=4 2274 B9R0.18 CCCOC(=O)OCS[13CH3] 62a_200025704644_200000139673 [0,2,0,0,0,0|0,0,2]=4 2275 B9R0.18 CCNN=C(C)C=COC 4a_100000756455_100102564965 [0,2,0,0,0,0|2,0,0]=4 2276 B9R0.18 CCNNC(=O)C=COC 22a_100000756455_100016268678 [0,2,0,0,0,0|1,0,0]=3 2277 B9R0.18 CCNNC(=O)COCC 22a_100000756455_100000211967 [0,2,0,0,0,0|1,0,1]=4 2278 B9R0.18 CCOCC(=O)CCCF 1458a_100000211967_100011934791 [0,2,0,0,0,0|0,0,2]=4 2279 B9R0.18 CCOCC(=O)CCCO 1458a_100000211967_100011215043 [0,2,0,0,0,0|0,0,2]=4 2280 B9R0.18 CCOCC(=O)CCOC 1458a_100000211967_100000233755 [0,2,0,0,0,0|0,0,2]=4 2281 B9R0.18 CCOCC(=O)CCSC 1458a_100000211967_100000751147 [0,2,0,0,0,0|0,0,2]=4 2282 B9R0.18 CCOCC(=O)NCCF 11a_100000724931_100000211967 [0,2,0,0,0,0|1,0,1]=4 2283 B9R0.18 CCOCC(=O)NCCF 1626a_100000724931_100000211967 [0,2,0,0,0,0|1,0,1]=4 2284 B9R0.18 CCOCC(=O)NCCF 240690a_100000724931_100000211967 [0,2,0,0,0,0|1,0,1]=4 2285 B9R0.18 CCOCC(=O)NCCF 527a_100000724931_100000211967 [0,2,0,0,0,0|1,0,1]=4 2286 B9R0.18 CCOCC(=O)NCCO 240690a_100000210304_100000211967 [0,2,0,0,0,0|1,0,1]=4 2287 B9R0.18 CCOCC(=O)NCCO 527a_100000210304_100000211967 [0,2,0,0,0,0|1,0,1]=4 2288 B9R0.18 COC=CC(=O)CCC#N 1458a_100016268678_100011215226 [0,2,0,0,0,0|1,0,1]=4 2289 B9R0.18 COC=CC(=O)CCCF 1458a_100016268678_100011934791 [0,2,0,0,0,0|1,0,0]=3 2290 B9R0.18 COC=CC(=O)CCCO 1458a_100016268678_100011215043 [0,2,0,0,0,0|1,0,0]=3 2291 B9R0.18 COC=CC(=O)CCOC 1458a_100016268678_100000233755 [0,2,0,0,0,0|1,0,0]=3 2292 B9R0.18 COC=CC(=O)CCSC 1458a_100016268678_100000751147 [0,2,0,0,0,0|1,0,0]=3 2293 B9R0.18 COC=CC(=O)NCC#N 1626a_100000734998_100016268678 [0,2,0,0,0,0|1,0,1]=4 2294 B9R0.18 COC=CC(=O)NCCF 1626a_100000724931_100016268678 [0,2,0,0,0,0|1,0,0]=3 2295 B9R0.18 COC=CC(=O)NCCF 240690a_100000724931_100016268678 [0,2,0,0,0,0|1,0,0]=3 2296 B9R0.18 COC=CC(=O)NCCO 240690a_100000210304_100016268678 [0,2,0,0,0,0|1,0,0]=3 2297 B9R0.34 C#CC(=O)CC(=O)OCC 1458a_100000211873_100000188475 [0,2,0,0,0,0|0,0,2]=4 2298 B9R0.34 C#CC(C)NC(=O)C=CBr 1626a_100000707721_100016273825 [0,2,0,0,0,0|2,0,0]=4 2299 B9R0.34 C#CC(C)NC(=O)C=CBr 240690a_100000707721_100016273825 [0,2,0,0,0,0|2,0,0]=4 2300 B9R0.34 C#CC(C)NC(=O)C=CC 11a_100000707721_100000210699 [0,2,0,0,0,0|1,0,0]=3 2301 B9R0.34 C#CC(C)NC(=O)C=CC 1626a_100000707721_100000210699 [0,2,0,0,0,0|1,0,0]=3 2302 B9R0.34 C#CC(C)NC(=O)C=CC 240690a_100000707721_100000210699 [0,2,0,0,0,0|1,0,0]=3 2303 B9R0.34 C#CC(C)NC(=O)C=CCl 11a_100000707721_200016279998 [0,2,0,0,0,0|2,0,0]=4 2304 B9R0.34 C#CC(C)NC(=O)C=CCl 1626a_100000707721_200016279998 [0,2,0,0,0,0|2,0,0]=4 2305 B9R0.34 C#CC(C)NC(=O)C=CCl 240690a_100000707721_200016279998 [0,2,0,0,0,0|2,0,0]=4 2306 B9R0.34 C#CC(C)NC(=O)C=CI 1626a_100000707721_100016256311 [0,2,0,0,0,0|2,0,0]=4 2307 B9R0.34 C#CC(C)OC(C)/C=C/C 34a_200102604097_200000035995 [0,2,0,0,0,0|1,0,1]=4 2308 B9R0.34 C/C=C/C(C)OC(C)CC 34a_200102604097_100011215416 [0,2,0,0,0,0|1,0,1]=4 2309 B9R0.34 C/C=C/C(C)OC(C)CO 34a_200102604097_100012180447 [0,2,0,0,0,0|1,0,1]=4 2310 B9R0.34 C=CC(=O)CC(=O)CCC 1458a_100000185746_100000747444 [0,2,0,0,0,0|1,0,1]=4 2311 B9R0.34 C=CC(=O)CC(=O)NCC 1458a_100000185746_100000183381 [0,2,0,0,0,0|1,0,1]=4 2312 B9R0.34 C=CC(=O)CC(=O)OCC 1458a_100000185746_100000188475 [0,2,0,0,0,0|0,0,1]=3 2313 B9R0.34 CC(C#N)NC(=O)C=CBr 1626a_100000737613_100016273825 [0,2,0,0,0,0|2,0,0]=4 2314 B9R0.34 CC(C#N)NC(=O)C=CCl 11a_100000737613_200016279998 [0,2,0,0,0,0|2,0,0]=4 2315 B9R0.34 CC(C#N)NC(=O)C=CCl 1626a_100000737613_200016279998 [0,2,0,0,0,0|2,0,0]=4 2316 B9R0.34 CC(C#N)NC(=O)C=CI 1626a_100000737613_100016256311 [0,2,0,0,0,0|2,0,0]=4 2317 B9R0.34 CC=CC(=O)CC(=O)CC 1458a_100000210699_100000747405 [0,2,0,0,0,0|1,0,0]=3 2318 B9R0.34 CC=CC(=O)CC(=O)NC 1458a_100000210699_100000183359 [0,2,0,0,0,0|1,0,1]=4 2319 B9R0.34 CC=CC(=O)CC(=O)OC 1458a_100000210699_100000747449 [0,2,0,0,0,0|1,0,1]=4 2320 B9R0.34 CC=CC(=O)CC(C)CC 1458a_100000210699_100000748023 [0,2,0,0,0,0|1,0,0]=3 2321 B9R0.34 CC=CC(=O)CC(O)CC 1458a_100000210699_100011218378 [0,2,0,0,0,0|1,0,0]=3 2322 B9R0.34 CC=CC(=O)C[C@@H](C)CC 1458a_100000210699_100009816398 [0,2,0,0,0,0|1,0,0]=3 2323 B9R0.34 CC=CC(=O)C[C@@H](C)CO 1458a_100000210699_100000059175 [0,2,0,0,0,0|1,0,0]=3 2324 B9R0.34 CC=CC(=O)NC(C)C#N 11a_100000737613_100000210699 [0,2,0,0,0,0|1,0,0]=3 2325 B9R0.34 CC=CC(=O)NC(C)C#N 1626a_100000737613_100000210699 [0,2,0,0,0,0|1,0,0]=3 2326 B9R0.34 CC=CC(=O)NC(C)CC 11a_100000209981_100000210699 [0,2,0,0,0,0|1,0,0]=3 2327 B9R0.34 CC=CC(=O)NC(C)CC 1626a_100000209981_100000210699 [0,2,0,0,0,0|1,0,0]=3 2328 B9R0.34 CC=CC(=O)NC(C)CC 240690a_100000209981_100000210699 [0,2,0,0,0,0|1,0,0]=3 2329 B9R0.34 CC=CC(=O)N[C@H](C)CF 11a_100102880703_100000210699 [0,2,0,0,0,0|1,0,0]=3 2330 B9R0.34 CC=CC(=O)N[C@H](C)CF 1626a_100102880703_100000210699 [0,2,0,0,0,0|1,0,0]=3 2331 B9R0.34 CC=CC(=O)N[C@H](C)CF 240690a_100102880703_100000210699 [0,2,0,0,0,0|1,0,0]=3 2332 B9R0.34 CC=CC(=O)N[C@H](C)CO 240690a_100000737577_100000210699 [0,2,0,0,0,0|1,0,0]=3 2333 B9R0.34 CCC(=CC(=O)CCF)C 1458a_100020758463_100011217306 [0,2,0,0,0,0|2,0,0]=4 2334 B9R0.34 CCC(=CC(=O)CCO)C 1458a_100020758463_100000211926 [0,2,0,0,0,0|2,0,0]=4 2335 B9R0.34 CCC(=CC(=O)NNC)C 22a_100016993582_100020758463 [0,2,0,0,0,0|2,0,0]=4 2336 B9R0.34 CCC(=O)CC(=O)C=CBr 1458a_100016273825_100000747405 [0,2,0,0,0,0|2,0,0]=4 2337 B9R0.34 CCC(=O)CC(=O)C=CCl 1458a_200016279998_100000747405 [0,2,0,0,0,0|2,0,0]=4 2338 B9R0.34 CCC(=O)CC(=O)C=CI 1458a_100016256311_100000747405 [0,2,0,0,0,0|2,0,0]=4 2339 B9R0.34 CCC(C)CC(=O)C=CBr 1458a_100016273825_100000748023 [0,2,0,0,0,0|2,0,0]=4 2340 B9R0.34 CCC(C)CC(=O)C=CCl 1458a_200016279998_100000748023 [0,2,0,0,0,0|2,0,0]=4 2341 B9R0.34 CCC(C)CC(=O)C=CI 1458a_100016256311_100000748023 [0,2,0,0,0,0|2,0,0]=4 2342 B9R0.34 CCC(C)NC(=O)C=CBr 1626a_100000209981_100016273825 [0,2,0,0,0,0|2,0,0]=4 2343 B9R0.34 CCC(C)NC(=O)C=CBr 240690a_100000209981_100016273825 [0,2,0,0,0,0|2,0,0]=4 2344 B9R0.34 CCC(C)NC(=O)C=CCl 11a_100000209981_200016279998 [0,2,0,0,0,0|2,0,0]=4 2345 B9R0.34 CCC(C)NC(=O)C=CCl 1626a_100000209981_200016279998 [0,2,0,0,0,0|2,0,0]=4 2346 B9R0.34 CCC(C)NC(=O)C=CCl 240690a_100000209981_200016279998 [0,2,0,0,0,0|2,0,0]=4 2347 B9R0.34 CCC(C)NC(=O)C=CI 1626a_100000209981_100016256311 [0,2,0,0,0,0|2,0,0]=4 2348 B9R0.34 CCC(O)CC(=O)C=CBr 1458a_100016273825_100011218378 [0,2,0,0,0,0|2,0,0]=4 2349 B9R0.34 CCC(O)CC(=O)C=CCl 1458a_200016279998_100011218378 [0,2,0,0,0,0|2,0,0]=4 2350 B9R0.34 CCC(O)CC(=O)C=CI 1458a_100016256311_100011218378 [0,2,0,0,0,0|2,0,0]=4 2351 B9R0.34 CCCC(=CC(=O)CC)C 1458a_100020676950_100000210202 [0,2,0,0,0,0|2,0,0]=4 2352 B9R0.34 CCCC(=CC(=O)CF)C 1458a_100020676950_100015361967 [0,2,0,0,0,0|2,0,0]=4 2353 B9R0.34 CCCC(=CC(=O)NC)C 11a_106832991635_100020676950 [0,2,0,0,0,0|2,0,0]=4 2354 B9R0.34 CCCC(=CC(=O)NC)C 1626a_100102657272_100020676950 [0,2,0,0,0,0|2,0,0]=4 2355 B9R0.34 CCCC(=CC(=O)NC)C 240690a_100102657272_100020676950 [0,2,0,0,0,0|2,0,0]=4 2356 B9R0.34 CCCC(=O)C=C(C)CC 1458a_100020758463_100000210303 [0,2,0,0,0,0|1,0,0]=3 2357 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000210414_100000747444 [0,2,0,0,0,0|1,0,1]=4 2358 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000211992_100000747405 [0,2,0,0,0,0|1,0,1]=4 2359 B9R0.34 CCCC(=O)CC(=O)CO 1458a_100000210174_100000747444 [0,2,0,0,0,0|1,0,1]=4 2360 B9R0.34 CCCC(=O)CC(=O)NC 1458a_100000211992_100000183359 [0,2,0,0,0,0|1,0,1]=4 2361 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211351_100000210303 [0,2,0,0,0,0|1,0,1]=4 2362 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211992_100000747449 [0,2,0,0,0,0|1,0,1]=4 2363 B9R0.34 CCNC(=O)C=C(C)CC 11a_100015525214_100020758463 [0,2,0,0,0,0|1,0,0]=3 2364 B9R0.34 CCNC(=O)C=C(C)CC 240690a_100015525214_100020758463 [0,2,0,0,0,0|1,0,0]=3 2365 B9R0.34 CCNC(=O)CC(=O)CC 1458a_100000210414_100000183381 [0,2,0,0,0,0|1,0,1]=4 2366 B9R0.34 CCNC(=O)CC(=O)CO 1458a_100000210174_100000183381 [0,2,0,0,0,0|1,0,1]=4 2367 B9R0.34 CCNC(=O)CC(=O)OC 240690a_100015525214_100000211351 [0,2,0,0,0,0|1,0,1]=4 2368 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000210414_100000188475 [0,2,0,0,0,0|0,0,1]=3 2369 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000243816_100000210202 [0,2,0,0,0,0|0,0,1]=3 2370 B9R0.34 CCOC(=O)CC(=O)CF 1458a_100000243816_100015361967 [0,2,0,0,0,0|0,0,1]=3 2371 B9R0.34 CCOC(=O)CC(=O)CO 1458a_100000210174_100000188475 [0,2,0,0,0,0|0,0,1]=3 2372 B9R0.34 CCOC(=O)CC(=O)NC 240690a_100102657272_100000243816 [0,2,0,0,0,0|0,0,1]=3 2373 B9R0.34 CCOC(=O)CC(C)NC 2230a_106832991635_100009817359 [0,2,0,0,0,0|0,0,2]=4 2374 B9R0.34 CCOC(=O)CC(C)NC 7a_106832991635_100009817359 [0,2,0,0,0,0|0,0,2]=4 2375 B9R0.34 CCOC(=O)CC(C)SC 62a_100009817359_200000210301 [0,2,0,0,0,0|0,0,2]=4 2376 B9R0.34 CCOC(=O)CC(C)SC 62a_200000210301_100009817359 [0,2,0,0,0,0|0,0,2]=4 2377 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_100009817359_200025704644 [0,2,0,0,0,0|0,0,2]=4 2378 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_200025704644_100009817359 [0,2,0,0,0,0|0,0,2]=4 2379 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220588_100000210202 [0,2,0,0,0,0|0,0,2]=4 2380 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220607_200000210301 [0,2,0,0,0,0|0,0,2]=4 2381 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000225621_100000188475 [0,2,0,0,0,0|0,0,2]=4 2382 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000220607_200000210301 [0,2,0,0,0,0|0,0,2]=4 2383 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000225621_100000188475 [0,2,0,0,0,0|0,0,2]=4 2384 B9R0.34 CCOC(=O)CN([13CH3])CC 2230a_100000220607_200025704644 [0,2,0,0,0,0|0,0,2]=4 2385 B9R0.34 CCOC(=O)CN([13CH3])CC 269982a_100000220607_200025704644 [0,2,0,0,0,0|0,0,2]=4 2386 B9R0.34 CCOC(=O)C[C@@H](C)OC 7a_100009816390_200000210301 [0,2,0,0,0,0|0,0,2]=4 2387 B9R0.34 CCOC(=O)C[C@@H](C)O[13CH3] 7a_100009816390_200025704644 [0,2,0,0,0,0|0,0,2]=4 2388 B9R0.34 CCOC(=O)OC(C)SC 62a_100000036008_200000210301 [0,2,0,0,0,0|1,0,1]=4 2389 B9R0.34 CCOC(=O)OC(C)SC 62a_200000210301_100000036008 [0,2,0,0,0,0|1,0,1]=4 2390 B9R0.34 CCOC(=O)OC(C)S[13CH3] 62a_100000036008_200025704644 [0,2,0,0,0,0|1,0,1]=4 2391 B9R0.34 CCOC(=O)OC(C)S[13CH3] 62a_200025704644_100000036008 [0,2,0,0,0,0|1,0,1]=4 2392 B9R0.34 CC[C@H](C)CC(=O)C=CBr 1458a_100016273825_100009816398 [0,2,0,0,0,0|2,0,0]=4 2393 B9R0.34 CC[C@H](C)CC(=O)C=CCl 1458a_200016279998_100009816398 [0,2,0,0,0,0|2,0,0]=4 2394 B9R0.34 CC[C@H](C)CC(=O)C=CI 1458a_100016256311_100009816398 [0,2,0,0,0,0|2,0,0]=4 2395 B9R0.34 C[C@@H](CO)CC(=O)C=CBr 1458a_100016273825_100000059175 [0,2,0,0,0,0|2,0,0]=4 2396 B9R0.34 C[C@@H](CO)CC(=O)C=CCl 1458a_200016279998_100000059175 [0,2,0,0,0,0|2,0,0]=4 2397 B9R0.34 C[C@@H](CO)CC(=O)C=CI 1458a_100016256311_100000059175 [0,2,0,0,0,0|2,0,0]=4 2398 B9R0.34 C[C@H](CF)NC(=O)C=CBr 1626a_100102880703_100016273825 [0,2,0,0,0,0|2,0,0]=4 2399 B9R0.34 C[C@H](CF)NC(=O)C=CBr 240690a_100102880703_100016273825 [0,2,0,0,0,0|2,0,0]=4 2400 B9R0.34 C[C@H](CF)NC(=O)C=CCl 11a_100102880703_200016279998 [0,2,0,0,0,0|2,0,0]=4 2401 B9R0.34 C[C@H](CF)NC(=O)C=CCl 1626a_100102880703_200016279998 [0,2,0,0,0,0|2,0,0]=4 2402 B9R0.34 C[C@H](CF)NC(=O)C=CCl 240690a_100102880703_200016279998 [0,2,0,0,0,0|2,0,0]=4 2403 B9R0.34 C[C@H](CF)NC(=O)C=CI 1626a_100102880703_100016256311 [0,2,0,0,0,0|2,0,0]=4 2404 B9R0.34 C[C@H](CO)NC(=O)C=CBr 240690a_100000737577_100016273825 [0,2,0,0,0,0|2,0,0]=4 2405 B9R0.34 C[C@H](CO)NC(=O)C=CCl 240690a_100000737577_200016279998 [0,2,0,0,0,0|2,0,0]=4 2406 B9R0.35 C#CCN(C)C(=O)C=CC 11a_100000225692_100000210699 [0,2,0,0,0,0|1,0,1]=4 2407 B9R0.35 C#CCN(C)C(=O)C=CC 1626a_100000225692_100000210699 [0,2,0,0,0,0|1,0,1]=4 2408 B9R0.35 C=C(CNC)C(=O)OCC 34a_100102657272_100000755967 [0,2,0,0,0,0|0,0,1]=3 2409 B9R0.35 C=C(CNC)C(=O)OCC 7a_106832991635_100000755967 [0,2,0,0,0,0|0,0,1]=3 2410 B9R0.35 C=C(COC)C(=O)OCC 34a_100138415774_100000755967 [0,2,0,0,0,0|0,0,1]=3 2411 B9R0.35 C=C(CSC)C(=O)OCC 62a_100000755967_200000210301 [0,2,0,0,0,0|0,0,1]=3 2412 B9R0.35 C=C(CSC)C(=O)OCC 62a_200000210301_100000755967 [0,2,0,0,0,0|0,0,1]=3 2413 B9R0.35 C=C(CS[13CH3])C(=O)OCC 62a_100000755967_200025704644 [0,2,0,0,0,0|0,0,1]=3 2414 B9R0.35 C=C(CS[13CH3])C(=O)OCC 62a_200025704644_100000755967 [0,2,0,0,0,0|0,0,1]=3 2415 B9R0.35 C=CCC(=O)C(=O)NCC 1458a_200011297158_100000210623 [0,2,0,0,0,0|1,0,1]=4 2416 B9R0.35 C=CCC(=O)C(C)OCC 1458a_100000739345_100000210623 [0,2,0,0,0,0|0,0,2]=4 2417 B9R0.35 C=CCN(C)C(=O)C=CC 11a_100000225617_100000210699 [0,2,0,0,0,0|1,0,1]=4 2418 B9R0.35 C=CCN(C)C(=O)C=CC 1626a_100000225617_100000210699 [0,2,0,0,0,0|1,0,1]=4 2419 B9R0.35 C=CCN(C)C(=O)C=CC 240690a_100000225617_100000210699 [0,2,0,0,0,0|1,0,1]=4 2420 B9R0.35 CC(CCO)C(=O)C=CBr 1458a_100016273825_100009893172 [0,2,0,0,0,0|2,0,0]=4 2421 B9R0.35 CC(CCO)C(=O)C=CCl 1458a_200016279998_100009893172 [0,2,0,0,0,0|2,0,0]=4 2422 B9R0.35 CC(CCO)C(=O)C=CI 1458a_100016256311_100009893172 [0,2,0,0,0,0|2,0,0]=4 2423 B9R0.35 CC/C=C(\C)/C(=O)CCC 1458a_100016988807_100000210303 [0,2,0,0,0,0|1,0,0]=3 2424 B9R0.35 CC/C=C(\C)/C(=O)CCF 1458a_100016988807_100011217306 [0,2,0,0,0,0|2,0,0]=4 2425 B9R0.35 CC/C=C(\C)/C(=O)CCO 1458a_100016988807_100000211926 [0,2,0,0,0,0|2,0,0]=4 2426 B9R0.35 CC/C=C(\C)/C(=O)NCC 11a_100015525214_100016988807 [0,2,0,0,0,0|1,0,0]=3 2427 B9R0.35 CC/C=C(\C)/C(=O)NCC 240690a_100015525214_100016988807 [0,2,0,0,0,0|1,0,0]=3 2428 B9R0.35 CC/C=C(\C)/C(=O)NCC 527a_100015525214_100016988807 [0,2,0,0,0,0|1,0,0]=3 2429 B9R0.35 CC/C=C(\C)/C(=O)NNC 22a_100016993582_100016988807 [0,2,0,0,0,0|2,0,0]=4 2430 B9R0.35 CC=CC(=O)C(C)CC#N 1458a_100000210699_100009813641 [0,2,0,0,0,0|1,0,1]=4 2431 B9R0.35 CC=CC(=O)C(C)CCC 1458a_100000210699_100000766640 [0,2,0,0,0,0|1,0,0]=3 2432 B9R0.35 CC=CC(=O)C(C)CCO 1458a_100000210699_100009893172 [0,2,0,0,0,0|1,0,0]=3 2433 B9R0.35 CC=CC(=O)C(C)COC 1458a_100000210699_100000765312 [0,2,0,0,0,0|1,0,0]=3 2434 B9R0.35 CC=CC(=O)N(C)CC#N 11a_100000748184_100000210699 [0,2,0,0,0,0|1,0,1]=4 2435 B9R0.35 CC=CC(=O)N(C)CC#N 1626a_100000748184_100000210699 [0,2,0,0,0,0|1,0,1]=4 2436 B9R0.35 CC=CC(=O)N(C)CCC 11a_100000747261_100000210699 [0,2,0,0,0,0|1,0,0]=3 2437 B9R0.35 CC=CC(=O)N(C)CCC 1626a_100000747261_100000210699 [0,2,0,0,0,0|1,0,0]=3 2438 B9R0.35 CC=CC(=O)N(C)CCC 240690a_100000747261_100000210699 [0,2,0,0,0,0|1,0,0]=3 2439 B9R0.35 CC=CC(=O)N(C)CCO 240690a_100000210263_100000210699 [0,2,0,0,0,0|1,0,0]=3 2440 B9R0.35 CCCC(=O)/C(=N/OC)/C 1458a_100160996864_100000210303 [0,2,0,0,0,0|2,0,0]=4 2441 B9R0.35 CCCC(=O)C(=O)NCC 1458a_200011297158_100000210303 [0,2,0,0,0,0|1,0,1]=4 2442 B9R0.35 CCCC(=O)C(C)OCC 1458a_100000739345_100000210303 [0,2,0,0,0,0|0,0,2]=4 2443 B9R0.35 CCCC(C)C(=O)C=CBr 1458a_100016273825_100000766640 [0,2,0,0,0,0|2,0,0]=4 2444 B9R0.35 CCCC(C)C(=O)C=CCl 1458a_200016279998_100000766640 [0,2,0,0,0,0|2,0,0]=4 2445 B9R0.35 CCCC(C)C(=O)C=CI 1458a_100016256311_100000766640 [0,2,0,0,0,0|2,0,0]=4 2446 B9R0.35 CCCN(C)C(=O)C=CBr 1626a_100000747261_100016273825 [0,2,0,0,0,0|2,0,0]=4 2447 B9R0.35 CCCN(C)C(=O)C=CBr 240690a_100000747261_100016273825 [0,2,0,0,0,0|2,0,0]=4 2448 B9R0.35 CCCN(C)C(=O)C=CCl 11a_100000747261_200016279998 [0,2,0,0,0,0|2,0,0]=4 2449 B9R0.35 CCCN(C)C(=O)C=CCl 1626a_100000747261_200016279998 [0,2,0,0,0,0|2,0,0]=4 2450 B9R0.35 CCCN(C)C(=O)C=CCl 240690a_100000747261_200016279998 [0,2,0,0,0,0|2,0,0]=4 2451 B9R0.35 CCCN(C)C(=O)C=CI 1626a_100000747261_100016256311 [0,2,0,0,0,0|2,0,0]=4 2452 B9R0.35 CCNC(=O)/C(=N/OC)/C 11a_100015525214_100160996864 [0,2,0,0,0,0|2,0,0]=4 2453 B9R0.35 CCNC(=O)/C(=N/OC)/C 240690a_100015525214_100160996864 [0,2,0,0,0,0|2,0,0]=4 2454 B9R0.35 CCNC(=O)C(=O)CCF 1458a_200011297158_100011217306 [0,2,0,0,0,0|1,0,1]=4 2455 B9R0.35 CCNC(=O)C(=O)CCO 1458a_200011297158_100000211926 [0,2,0,0,0,0|1,0,1]=4 2456 B9R0.35 CCNC(=O)C(=O)NCC 240690a_100015525214_200011297158 [0,2,0,0,0,0|1,0,1]=4 2457 B9R0.35 CCNC(=O)C(=O)NCC 527a_100015525214_200011297158 [0,2,0,0,0,0|1,0,1]=4 2458 B9R0.35 CCNC(=O)C(=O)NNC 22a_100016993582_200011297158 [0,2,0,0,0,0|2,0,0]=4 2459 B9R0.35 CCNC(=O)C(=O)OCC 11a_100015525214_100014798877 [0,2,0,0,0,0|0,0,1]=3 2460 B9R0.35 CCNC(=O)C(=O)OCC 240690a_100015525214_100014798877 [0,2,0,0,0,0|0,0,1]=3 2461 B9R0.35 CCNC(=O)C(C)OCC 11a_100015525214_100000739345 [0,2,0,0,0,0|1,0,1]=4 2462 B9R0.35 CCNC(=O)C(C)OCC 240690a_100015525214_100000739345 [0,2,0,0,0,0|1,0,1]=4 2463 B9R0.35 CCNC(=O)C(C)OCC 34a_100121572206_100000230173 [0,2,0,0,0,0|1,0,1]=4 2464 B9R0.35 CCNC(=O)C(C)OCC 527a_100015525214_100000739345 [0,2,0,0,0,0|1,0,1]=4 2465 B9R0.35 CCNC(C)C(=O)OCC 2230a_100015525214_100011215307 [0,2,0,0,0,0|0,0,2]=4 2466 B9R0.35 CCNC(F)C(=O)OCC 2230a_100015525214_100000760018 [0,2,0,0,0,0|0,0,2]=4 2467 B9R0.35 CCOC(=O)C(=O)CSC 62a_100000211299_200000210301 [0,2,0,0,0,0|0,0,1]=3 2468 B9R0.35 CCOC(=O)C(=O)CSC 62a_200000210301_100000211299 [0,2,0,0,0,0|0,0,1]=3 2469 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_100000211299_200025704644 [0,2,0,0,0,0|0,0,1]=3 2470 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_200025704644_100000211299 [0,2,0,0,0,0|0,0,1]=3 2471 B9R0.35 CCOC(=O)C(C)OCC 34a_100121572206_100011216346 [0,2,0,0,0,0|0,0,2]=4 2472 B9R0.35 CCOC(=O)C(C)SCC 62a_100000210202_100011216346 [0,2,0,0,0,0|0,0,2]=4 2473 B9R0.35 CCOC(=O)C(C)SCC 62a_100011216346_100000210202 [0,2,0,0,0,0|0,0,2]=4 2474 B9R0.35 CCOC(=O)C(C)SCF 62a_100011216346_100015361967 [0,2,0,0,0,0|1,0,1]=4 2475 B9R0.35 CCOC(=O)C(C)SCF 62a_100015361967_100011216346 [0,2,0,0,0,0|1,0,1]=4 2476 B9R0.35 CCOC(=O)C(F)OCC 34a_100121572206_100000760018 [0,2,0,0,0,0|0,0,2]=4 2477 B9R0.35 CCOC(=O)C(F)SCC 62a_100000210202_100000760018 [0,2,0,0,0,0|0,0,2]=4 2478 B9R0.35 CCOC(=O)C(F)SCC 62a_100000760018_100000210202 [0,2,0,0,0,0|0,0,2]=4 2479 B9R0.35 CCOC(=O)C(F)SCF 62a_100000760018_100015361967 [0,2,0,0,0,0|1,0,1]=4 2480 B9R0.35 CCOC(=O)C(F)SCF 62a_100015361967_100000760018 [0,2,0,0,0,0|1,0,1]=4 2481 B9R0.35 CCOC(=O)[C@H](C)OCC 7a_100000751109_100000210202 [0,2,0,0,0,0|0,0,2]=4 2482 B9R0.35 CCOC(=O)[C@H](C)OCF 7a_100000751109_100015361967 [0,2,0,0,0,0|1,0,1]=4 2483 B9R0.35 CCOC(C)C(=O)NNC 22a_100016993582_100000739345 [0,2,0,0,0,0|2,0,0]=4 2484 B9R0.35 CN(CCO)C(=O)C=CBr 240690a_100000210263_100016273825 [0,2,0,0,0,0|2,0,0]=4 2485 B9R0.35 CN(CCO)C(=O)C=CCl 240690a_100000210263_200016279998 [0,2,0,0,0,0|2,0,0]=4 2486 B9R0.35 COCC(C)C(=O)C=CBr 1458a_100016273825_100000765312 [0,2,0,0,0,0|2,0,0]=4 2487 B9R0.35 COCC(C)C(=O)C=CCl 1458a_200016279998_100000765312 [0,2,0,0,0,0|2,0,0]=4 2488 B9R0.35 COCC(C)C(=O)C=CI 1458a_100016256311_100000765312 [0,2,0,0,0,0|2,0,0]=4 2489 B9R0.40 CC=CC(=NNCC)CC 4a_100000756455_100102568992 [0,2,0,0,0,0|2,0,0]=4 2490 B9R0.48 C/C=C/C(C)OCC(C)C 34a_200102604097_100000210624 [0,2,0,0,0,0|1,0,1]=4 2491 B9R0.48 C/C=C/C(C)OCC(C)O 34a_200102604097_100011218427 [0,2,0,0,0,0|1,0,1]=4 2492 B9R0.48 C/C=C/C(C)OCC(F)F 34a_200102604097_100011934356 [0,2,0,0,0,0|1,0,1]=4 2493 B9R0.48 C/C=C/C(C)OC[C@@H](C)O 34a_200102604097_100009817552 [0,2,0,0,0,0|1,0,1]=4 2494 B9R0.48 C=C(C)CCC(=O)C=CBr 1458a_100016273825_100000730704 [0,2,0,0,0,0|2,0,0]=4 2495 B9R0.48 C=C(C)CCC(=O)C=CC 1458a_100000210699_100000730704 [0,2,0,0,0,0|1,0,0]=3 2496 B9R0.48 C=C(C)CCC(=O)C=CCl 1458a_200016279998_100000730704 [0,2,0,0,0,0|2,0,0]=4 2497 B9R0.48 C=C(C)CCC(=O)C=CI 1458a_100016256311_100000730704 [0,2,0,0,0,0|2,0,0]=4 2498 B9R0.48 C=C(C)CCC(=O)CCC 1458a_100000211992_100000730704 [0,2,0,0,0,0|1,0,1]=4 2499 B9R0.48 C=C(C)CCC(=O)CCC 1458a_200000688413_100000210303 [0,2,0,0,0,0|1,0,1]=4 2500 B9R0.48 C=C(C)CCC(=O)NCC 11a_100015525214_200000688413 [0,2,0,0,0,0|1,0,1]=4 2501 B9R0.48 C=C(C)CCC(=O)NCC 240690a_100015525214_200000688413 [0,2,0,0,0,0|1,0,1]=4 2502 B9R0.48 C=C(C)CCC(=O)NCC 527a_100015525214_200000688413 [0,2,0,0,0,0|1,0,1]=4 2503 B9R0.48 C=C(C)CNC(=O)C=CBr 1626a_100000765925_100016273825 [0,2,0,0,0,0|2,0,0]=4 2504 B9R0.48 C=C(C)CNC(=O)C=CBr 240690a_100000765925_100016273825 [0,2,0,0,0,0|2,0,0]=4 2505 B9R0.48 C=C(C)CNC(=O)C=CC 11a_100000765925_100000210699 [0,2,0,0,0,0|1,0,0]=3 2506 B9R0.48 C=C(C)CNC(=O)C=CC 1626a_100000765925_100000210699 [0,2,0,0,0,0|1,0,0]=3 2507 B9R0.48 C=C(C)CNC(=O)C=CC 240690a_100000765925_100000210699 [0,2,0,0,0,0|1,0,0]=3 2508 B9R0.48 C=C(C)CNC(=O)C=CCl 11a_100000765925_200016279998 [0,2,0,0,0,0|2,0,0]=4 2509 B9R0.48 C=C(C)CNC(=O)C=CCl 1626a_100000765925_200016279998 [0,2,0,0,0,0|2,0,0]=4 2510 B9R0.48 C=C(C)CNC(=O)C=CCl 240690a_100000765925_200016279998 [0,2,0,0,0,0|2,0,0]=4 2511 B9R0.48 C=C(C)CNC(=O)C=CI 1626a_100000765925_100016256311 [0,2,0,0,0,0|2,0,0]=4 2512 B9R0.48 C=C(C)CNC(=O)CCC 11a_100000765925_100000211992 [0,2,0,0,0,0|1,0,1]=4 2513 B9R0.48 C=C(C)CNC(=O)CCC 1626a_100000765925_100000211992 [0,2,0,0,0,0|1,0,1]=4 2514 B9R0.48 C=C(C)CNC(=O)CCC 240690a_100000765925_100000211992 [0,2,0,0,0,0|1,0,1]=4 2515 B9R0.48 C=C(C)CNC(=O)CCC 527a_100000765925_100000211992 [0,2,0,0,0,0|1,0,1]=4 2516 B9R0.48 C=C(C)CNC(=O)NCC 2708a_100000765925_100015525214 [0,2,0,0,0,0|1,0,1]=4 2517 B9R0.48 C=C(C)CNC(=O)NCC 2708a_100015525214_100000765925 [0,2,0,0,0,0|1,0,1]=4 2518 B9R0.48 C=C(C)CNC(=O)NCC 273464a_100000765925_100015525214 [0,2,0,0,0,0|1,0,1]=4 2519 B9R0.48 C=C(C)CNC(=O)NCC 273464a_100015525214_100000765925 [0,2,0,0,0,0|1,0,1]=4 2520 B9R0.48 C=C(C)CNC(=O)NCC 512a_100000765925_100015525214 [0,2,0,0,0,0|1,0,1]=4 2521 B9R0.48 C=C(C)CNC(=O)NCC 512a_100015525214_100000765925 [0,2,0,0,0,0|1,0,1]=4 2522 B9R0.48 C=C(C)COC(C)/C=C/C 34a_200102604097_100000748629 [0,2,0,0,0,0|1,0,1]=4 2523 B9R0.48 C=CCC(=O)COC(C)C 1458a_100000745533_100000210623 [0,2,0,0,0,0|0,0,2]=4 2524 B9R0.48 C=COC(=O)COC(C)C 34a_100000212225_100000036128 [0,2,0,0,0,0|1,0,1]=4 2525 B9R0.48 CC#CC(=O)CC=C(C)C 1458a_100000763181_100000761012 [0,2,0,0,0,0|1,0,1]=4 2526 B9R0.48 CC(=CCC(=O)CCF)C 1458a_100011220947_100011217306 [0,2,0,0,0,0|2,0,0]=4 2527 B9R0.48 CC(=CCC(=O)CCO)C 1458a_100011216618_100000761012 [0,2,0,0,0,0|2,0,0]=4 2528 B9R0.48 CC(=CCC(=O)CCO)C 1458a_100011220947_100000211926 [0,2,0,0,0,0|2,0,0]=4 2529 B9R0.48 CC(C)C=CC(=O)CCF 1458a_100016268746_100011217306 [0,2,0,0,0,0|2,0,0]=4 2530 B9R0.48 CC(C)C=CC(=O)CCO 1458a_100016268746_100000211926 [0,2,0,0,0,0|2,0,0]=4 2531 B9R0.48 CC(C)CCC(=O)C=CBr 1458a_100016273825_100000210312 [0,2,0,0,0,0|2,0,0]=4 2532 B9R0.48 CC(C)CCC(=O)C=CCl 1458a_200016279998_100000210312 [0,2,0,0,0,0|2,0,0]=4 2533 B9R0.48 CC(C)CCC(=O)C=CI 1458a_100016256311_100000210312 [0,2,0,0,0,0|2,0,0]=4 2534 B9R0.48 CC(C)CNC(=O)C=CBr 1626a_100000210953_100016273825 [0,2,0,0,0,0|2,0,0]=4 2535 B9R0.48 CC(C)CNC(=O)C=CBr 240690a_100000210953_100016273825 [0,2,0,0,0,0|2,0,0]=4 2536 B9R0.48 CC(C)CNC(=O)C=CCl 11a_100000210953_200016279998 [0,2,0,0,0,0|2,0,0]=4 2537 B9R0.48 CC(C)CNC(=O)C=CCl 1626a_100000210953_200016279998 [0,2,0,0,0,0|2,0,0]=4 2538 B9R0.48 CC(C)CNC(=O)C=CCl 240690a_100000210953_200016279998 [0,2,0,0,0,0|2,0,0]=4 2539 B9R0.48 CC(C)CNC(=O)C=CI 1626a_100000210953_100016256311 [0,2,0,0,0,0|2,0,0]=4 2540 B9R0.48 CC(O)CCC(=O)C=CBr 1458a_100016273825_100012276601 [0,2,0,0,0,0|2,0,0]=4 2541 B9R0.48 CC(O)CCC(=O)C=CCl 1458a_200016279998_100012276601 [0,2,0,0,0,0|2,0,0]=4 2542 B9R0.48 CC(O)CCC(=O)C=CI 1458a_100016256311_100012276601 [0,2,0,0,0,0|2,0,0]=4 2543 B9R0.48 CC(O)CNC(=O)C=CBr 240690a_100000210904_100016273825 [0,2,0,0,0,0|2,0,0]=4 2544 B9R0.48 CC(O)CNC(=O)C=CCl 11a_100000210904_200016279998 [0,2,0,0,0,0|2,0,0]=4 2545 B9R0.48 CC(O)CNC(=O)C=CCl 240690a_100000210904_200016279998 [0,2,0,0,0,0|2,0,0]=4 2546 B9R0.48 CC=CC(=NNC(C)C)C 4a_100000741168_100011218416 [0,2,0,0,0,0|2,0,0]=4 2547 B9R0.48 CC=CC(=O)CC=C(C)C 1458a_100000210699_100000761012 [0,2,0,0,0,0|1,0,1]=4 2548 B9R0.48 CC=CC(=O)CCC(C)C 1458a_100000210699_100000210312 [0,2,0,0,0,0|1,0,0]=3 2549 B9R0.48 CC=CC(=O)CCC(C)O 1458a_100000210699_100012276601 [0,2,0,0,0,0|1,0,0]=3 2550 B9R0.48 CC=CC(=O)NCC(=O)N 11a_100000711301_100000210699 [0,2,0,0,0,0|1,0,1]=4 2551 B9R0.48 CC=CC(=O)NCC(=O)N 240690a_100000711301_100000210699 [0,2,0,0,0,0|1,0,1]=4 2552 B9R0.48 CC=CC(=O)NCC(C)C 11a_100000210953_100000210699 [0,2,0,0,0,0|1,0,0]=3 2553 B9R0.48 CC=CC(=O)NCC(C)C 1626a_100000210953_100000210699 [0,2,0,0,0,0|1,0,0]=3 2554 B9R0.48 CC=CC(=O)NCC(C)C 240690a_100000210953_100000210699 [0,2,0,0,0,0|1,0,0]=3 2555 B9R0.48 CC=CC(=O)NCC(C)O 11a_100000210904_100000210699 [0,2,0,0,0,0|1,0,0]=3 2556 B9R0.48 CC=CC(=O)NCC(C)O 240690a_100000210904_100000210699 [0,2,0,0,0,0|1,0,0]=3 2557 B9R0.48 CC=CC(=O)NCC(F)F 11a_100000765723_100000210699 [0,2,0,0,0,0|1,0,0]=3 2558 B9R0.48 CC=CC(=O)NCC(F)F 1626a_100000765723_100000210699 [0,2,0,0,0,0|1,0,0]=3 2559 B9R0.48 CC=CC(=O)NCC(F)F 240690a_100000765723_100000210699 [0,2,0,0,0,0|1,0,0]=3 2560 B9R0.48 CC=CC(=O)NNC(=O)C 22a_100000189765_100000210699 [0,2,0,0,0,0|1,0,1]=4 2561 B9R0.48 CC=CC(=O)NNC(C)C 22a_100000741168_100000210699 [0,2,0,0,0,0|1,0,0]=3 2562 B9R0.48 CCCC(=O)C=CC(C)C 1458a_100016268746_100000210303 [0,2,0,0,0,0|1,0,0]=3 2563 B9R0.48 CCCC(=O)CC=C(C)C 1458a_100000211992_100000761012 [0,2,0,0,0,0|1,0,0]=3 2564 B9R0.48 CCCC(=O)CC=C(C)C 1458a_100011220947_100000210303 [0,2,0,0,0,0|1,0,0]=3 2565 B9R0.48 CCCC(=O)CNC(=O)C 1458a_100000194580_100000210303 [0,2,0,0,0,0|1,0,1]=4 2566 B9R0.48 CCCC(=O)COC(=O)C 1458a_100000183556_100000210303 [0,2,0,0,0,0|1,0,1]=4 2567 B9R0.48 CCCC(=O)COC(C)C 1458a_100000745533_100000210303 [0,2,0,0,0,0|0,0,2]=4 2568 B9R0.48 CCCC(=O)CSC(=O)C 1458a_100000049016_100000210303 [0,2,0,0,0,0|1,0,1]=4 2569 B9R0.48 CCCC(=O)NNC(=O)C 22a_100000189765_100000211992 [0,2,0,0,0,0|2,0,0]=4 2570 B9R0.48 CCCC(=O)NNC(=O)C 22a_100000189770_100000070787 [0,2,0,0,0,0|2,0,0]=4 2571 B9R0.48 CCCC(=O)OCC(=O)C 1458a_100000070787_100000034017 [0,2,0,0,0,0|0,0,2]=4 2572 B9R0.48 CCCC(=O)OCN(C)C 2230a_100102631434_100000034017 [0,2,0,0,0,0|0,0,2]=4 2573 B9R0.48 CCCC(=O)OCN(C)C 269982a_100102631434_100000034017 [0,2,0,0,0,0|0,0,2]=4 2574 B9R0.48 CCNC(=O)C=CC(C)C 11a_100015525214_100016268746 [0,2,0,0,0,0|1,0,0]=3 2575 B9R0.48 CCNC(=O)C=CC(C)C 240690a_100015525214_100016268746 [0,2,0,0,0,0|1,0,0]=3 2576 B9R0.48 CCNC(=O)CC=C(C)C 11a_100015525214_100011220947 [0,2,0,0,0,0|1,0,0]=3 2577 B9R0.48 CCNC(=O)CC=C(C)C 240690a_100015525214_100011220947 [0,2,0,0,0,0|1,0,0]=3 2578 B9R0.48 CCNC(=O)CC=C(C)C 527a_100015525214_100011220947 [0,2,0,0,0,0|1,0,0]=3 2579 B9R0.48 CCNC(=O)CCC(=O)C 1458a_100000199579_200000210301 [0,2,0,0,0,0|1,0,1]=4 2580 B9R0.48 CCNC(=O)CCC(=O)[13CH3] 1458a_100000199579_200025704644 [0,2,0,0,0,0|1,0,1]=4 2581 B9R0.48 CCNC(=O)CNC(=O)C 11a_100015525214_100000194580 [0,2,0,0,0,0|1,0,1]=4 2582 B9R0.48 CCNC(=O)CNC(=O)C 11a_100016988866_100015343762 [0,2,0,0,0,0|1,0,1]=4 2583 B9R0.48 CCNC(=O)CNC(=O)C 1626a_100016988866_100015343762 [0,2,0,0,0,0|1,0,1]=4 2584 B9R0.48 CCNC(=O)CNC(=O)C 240690a_100015525214_100000194580 [0,2,0,0,0,0|1,0,1]=4 2585 B9R0.48 CCNC(=O)CNC(=O)C 240690a_100016988866_100015343762 [0,2,0,0,0,0|1,0,1]=4 2586 B9R0.48 CCNC(=O)CNC(=O)C 527a_100015525214_100000194580 [0,2,0,0,0,0|1,0,1]=4 2587 B9R0.48 CCNC(=O)CNC(=O)C 527a_100016988866_100103153847 [0,2,0,0,0,0|1,0,1]=4 2588 B9R0.48 CCNC(=O)COC(=O)C 240690a_100015525214_100000183556 [0,2,0,0,0,0|1,0,1]=4 2589 B9R0.48 CCNC(=O)COC(=O)C 527a_100015525214_100000183556 [0,2,0,0,0,0|1,0,1]=4 2590 B9R0.48 CCNC(=O)COC(C)C 11a_100015525214_100000745533 [0,2,0,0,0,0|1,0,1]=4 2591 B9R0.48 CCNC(=O)COC(C)C 240690a_100015525214_100000745533 [0,2,0,0,0,0|1,0,1]=4 2592 B9R0.48 CCNC(=O)COC(C)C 34a_100000212225_100000183381 [0,2,0,0,0,0|1,0,1]=4 2593 B9R0.48 CCNC(=O)COC(C)C 527a_100015525214_100000745533 [0,2,0,0,0,0|1,0,1]=4 2594 B9R0.48 CCNC(=O)CSC(=O)C 11a_100015525214_100000049016 [0,2,0,0,0,0|1,0,1]=4 2595 B9R0.48 CCNC(=O)CSC(=O)C 240690a_100015525214_100000049016 [0,2,0,0,0,0|1,0,1]=4 2596 B9R0.48 CCNC(=O)NNC(=O)C 273464a_100015525214_100000189765 [0,2,0,0,0,0|2,0,0]=4 2597 B9R0.48 CCNC(=O)NNC(=O)C 512a_100000189765_100015525214 [0,2,0,0,0,0|2,0,0]=4 2598 B9R0.48 CCOC(=O)C=CC(=O)C 1458a_100000210415_200000210301 [0,2,0,0,0,0|0,0,0]=2 2599 B9R0.48 CCOC(=O)C=CC(=O)[13CH3] 1458a_100000210415_200025704644 [0,2,0,0,0,0|0,0,0]=2 2600 B9R0.48 CCOC(=O)CCC(=O)C 1458a_100000183558_200000210301 [0,2,0,0,0,0|0,0,1]=3 2601 B9R0.48 CCOC(=O)CCC(=O)[13CH3] 1458a_100000183558_200025704644 [0,2,0,0,0,0|0,0,1]=3 2602 B9R0.48 CCOC(=O)CCN(C)C 2230a_100000745921_200000210301 [0,2,0,0,0,0|0,0,2]=4 2603 B9R0.48 CCOC(=O)CCN(C)C 2230a_100102631434_100011206558 [0,2,0,0,0,0|0,0,2]=4 2604 B9R0.48 CCOC(=O)CCN(C)C 269982a_100000745921_200000210301 [0,2,0,0,0,0|0,0,2]=4 2605 B9R0.48 CCOC(=O)CCN(C)C 269982a_100102631434_100011206558 [0,2,0,0,0,0|0,0,2]=4 2606 B9R0.48 CCOC(=O)CCN(C)[13CH3] 2230a_100000745921_200025704644 [0,2,0,0,0,0|0,0,2]=4 2607 B9R0.48 CCOC(=O)CCN(C)[13CH3] 269982a_100000745921_200025704644 [0,2,0,0,0,0|0,0,2]=4 2608 B9R0.48 CCOC(=O)CNC(=O)C 188690a_100000741813_100015343762 [0,2,0,0,0,0|0,0,1]=3 2609 B9R0.48 CCOC(=O)CNC(C)C 2230a_100138425928_100000188475 [0,2,0,0,0,0|0,0,2]=4 2610 B9R0.48 CCOC(=O)CNC(C)C 34a_100138425928_100000188475 [0,2,0,0,0,0|0,0,2]=4 2611 B9R0.48 CCOC(=O)COC(C)C 34a_100000212225_100000188475 [0,2,0,0,0,0|0,0,2]=4 2612 B9R0.48 CCOC(=O)CSC(C)C 62a_100000188475_100000210206 [0,2,0,0,0,0|0,0,2]=4 2613 B9R0.48 CCOC(=O)CSC(C)C 62a_100000210206_100000188475 [0,2,0,0,0,0|0,0,2]=4 2614 B9R0.48 CCOC(=O)NCC(=O)C 1458a_100000190774_200000210301 [0,2,0,0,0,0|0,0,1]=3 2615 B9R0.48 CCOC(=O)NCC(=O)[13CH3] 1458a_100000190774_200025704644 [0,2,0,0,0,0|0,0,1]=3 2616 B9R0.48 CNNC(=O)C=CC(C)C 22a_100016993582_100016268746 [0,2,0,0,0,0|2,0,0]=4 2617 B9R0.48 CNNC(=O)CC=C(C)C 22a_100016993582_100011220947 [0,2,0,0,0,0|2,0,0]=4 2618 B9R0.48 CNNC(=O)COC(C)C 22a_100016993582_100000745533 [0,2,0,0,0,0|2,0,0]=4 2619 B9R0.48 COCC(=O)CC=C(C)C 1458a_100000210968_100000761012 [0,2,0,0,0,0|2,0,0]=4 2620 B9R0.48 CSCC(=O)CC=C(C)C 1458a_100000184570_100000761012 [0,2,0,0,0,0|2,0,0]=4 2621 B9R0.48 O=C(C=CBr)NCC(F)F 1626a_100000765723_100016273825 [0,2,0,0,0,0|2,0,0]=4 2622 B9R0.48 O=C(C=CBr)NCC(F)F 240690a_100000765723_100016273825 [0,2,0,0,0,0|2,0,0]=4 2623 B9R0.48 O=C(C=CCl)NCC(F)F 11a_100000765723_200016279998 [0,2,0,0,0,0|2,0,0]=4 2624 B9R0.48 O=C(C=CCl)NCC(F)F 1626a_100000765723_200016279998 [0,2,0,0,0,0|2,0,0]=4 2625 B9R0.48 O=C(C=CCl)NCC(F)F 240690a_100000765723_200016279998 [0,2,0,0,0,0|2,0,0]=4 2626 B9R0.48 O=C(C=CI)NCC(F)F 1626a_100000765723_100016256311 [0,2,0,0,0,0|2,0,0]=4 2627 B9R0.6 CC(C)N(C)C(=O)C=CBr 1626a_200000211004_100016273825 [0,2,0,0,0,0|2,0,0]=4 2628 B9R0.6 CC(C)N(C)C(=O)C=CBr 240690a_200000211004_100016273825 [0,2,0,0,0,0|2,0,0]=4 2629 B9R0.6 CC(C)N(C)C(=O)C=CCl 11a_200000211004_200016279998 [0,2,0,0,0,0|2,0,0]=4 2630 B9R0.6 CC(C)N(C)C(=O)C=CCl 1626a_200000211004_200016279998 [0,2,0,0,0,0|2,0,0]=4 2631 B9R0.6 CC(C)N(C)C(=O)C=CCl 240690a_200000211004_200016279998 [0,2,0,0,0,0|2,0,0]=4 2632 B9R0.6 CC(C)N(C)C(=O)C=CI 1626a_200000211004_100016256311 [0,2,0,0,0,0|2,0,0]=4 2633 B9R0.6 CC=CC(=O)C(C)C(=O)C 1458a_100000210699_100000179758 [0,2,0,0,0,0|1,0,1]=4 2634 B9R0.6 CC=CC(=O)N(C)C(C)C 11a_200000211004_100000210699 [0,2,0,0,0,0|1,0,0]=3 2635 B9R0.6 CC=CC(=O)N(C)C(C)C 1626a_200000211004_100000210699 [0,2,0,0,0,0|1,0,0]=3 2636 B9R0.6 CC=CC(=O)N(C)C(C)C 240690a_200000211004_100000210699 [0,2,0,0,0,0|1,0,0]=3 2637 B9R0.6 CCCC(=O)C(=O)N(C)C 1458a_100011218876_100000210303 [0,2,0,0,0,0|2,0,0]=4 2638 B9R0.6 CCCC(=O)C(C)C(=O)C 1458a_100000211992_100000179758 [0,2,0,0,0,0|1,0,1]=4 2639 B9R0.6 CCNC(=O)C(=C(Cl)Cl)Cl 11a_100015525214_100000031907 [0,2,0,0,0,0|2,0,0]=4 2640 B9R0.6 CCNC(=O)C(=C(Cl)Cl)Cl 240690a_100015525214_100000031907 [0,2,0,0,0,0|2,0,0]=4 2641 B9R0.6 CCNC(=O)C(=O)C(C)C 1458a_200011297158_100000210206 [0,2,0,0,0,0|1,0,1]=4 2642 B9R0.6 CCNC(=O)C(=O)N(C)C 1626a_100102631434_200011297158 [0,2,0,0,0,0|2,0,0]=4 2643 B9R0.6 CCNC(=O)C(=O)N(C)C 240690a_100015525214_100011218876 [0,2,0,0,0,0|2,0,0]=4 2644 B9R0.6 CCNC(=O)C(=O)N(C)C 240690a_100102631434_200011297158 [0,2,0,0,0,0|2,0,0]=4 2645 B9R0.6 CCNC(=O)C(=O)N(C)C 527a_100015525214_100011218876 [0,2,0,0,0,0|2,0,0]=4 2646 B9R0.6 CCNC(=O)C(=O)N(C)C 527a_100102631434_200011297158 [0,2,0,0,0,0|2,0,0]=4 2647 B9R0.6 CCNC(=O)C(C)C(=O)C 1458a_100000070787_100000230173 [0,2,0,0,0,0|1,0,1]=4 2648 B9R0.6 CCOC(=O)C(=O)N(C)C 11a_100102631434_100014798877 [0,2,0,0,0,0|1,0,0]=3 2649 B9R0.6 CCOC(=O)C(=O)N(C)C 1626a_100102631434_100014798877 [0,2,0,0,0,0|1,0,0]=3 2650 B9R0.6 CCOC(=O)C(=O)N(C)C 240690a_100102631434_100014798877 [0,2,0,0,0,0|1,0,0]=3 2651 B9R0.6 CCOC(=O)C(C)C(=O)C 1458a_100000070787_100011216346 [0,2,0,0,0,0|0,0,1]=3 2652 B9R0.6 CCOC(=O)C(C)C(=O)C 1458a_100132301724_200000210301 [0,2,0,0,0,0|0,0,1]=3 2653 B9R0.6 CCOC(=O)C(C)C(=O)[13CH3] 1458a_100132301724_200025704644 [0,2,0,0,0,0|0,0,1]=3 2654 B9R0.6 CCOC(=O)C(C)N(C)C 2230a_100102631434_100011215307 [0,2,0,0,0,0|1,0,1]=4 2655 B9R0.6 CCOC(=O)C(C)N(C)C 269982a_100102631434_100011216346 [0,2,0,0,0,0|1,0,1]=4 2656 B9R0.6 CCOC(=O)C(F)C(=O)C 1458a_100000070787_100000760018 [0,2,0,0,0,0|0,0,1]=3 2657 B9R0.6 CCOC(=O)C(F)N(C)C 2230a_100102631434_100000760018 [0,2,0,0,0,0|1,0,1]=4 2658 B9R0.6 CCOC(=O)C(F)N(C)C 269982a_100102631434_100000760018 [0,2,0,0,0,0|1,0,1]=4 2659 B9R0.12 CCOC(C=O)C(=O)OC 34a_100121572206_100000046368 [0,2,0,0,0,0|1,0,1]=4 2660 B9R0.19 CCOC(=O)C(C)(C)NC 2230a_106832991635_100011216345 [0,2,0,0,0,0|1,0,1]=4 2661 B9R0.19 CCOC(=O)C(C)(C)NC 7a_106832991635_100011216345 [0,2,0,0,0,0|1,0,1]=4 2662 B9R0.19 CCOC(=O)C(C)(C)OC 34a_100000686869_200000210301 [0,2,0,0,0,0|1,0,1]=4 2663 B9R0.19 CCOC(=O)C(C)(C)OC 7a_100000686869_200000210301 [0,2,0,0,0,0|1,0,1]=4 2664 B9R0.19 CCOC(=O)C(C)(C)O[13CH3] 34a_100000686869_200025704644 [0,2,0,0,0,0|1,0,1]=4 2665 B9R0.19 CCOC(=O)C(C)(C)O[13CH3] 7a_100000686869_200025704644 [0,2,0,0,0,0|1,0,1]=4 2666 B9R0.19 CCOC(=O)C(C)(C)SC 62a_100011216345_200000210301 [0,2,0,0,0,0|1,0,1]=4 2667 B9R0.19 CCOC(=O)C(C)(C)SC 62a_200000210301_100011216345 [0,2,0,0,0,0|1,0,1]=4 2668 B9R0.19 CCOC(=O)C(C)(C)S[13CH3] 62a_100011216345_200025704644 [0,2,0,0,0,0|1,0,1]=4 2669 B9R0.19 CCOC(=O)C(C)(C)S[13CH3] 62a_200025704644_100011216345 [0,2,0,0,0,0|1,0,1]=4 2670 B9R0.19 CCOC(=O)C(F)(F)NC 34a_100102657272_100000210910 [0,2,0,0,0,0|1,0,1]=4 2671 B9R0.19 CCOC(=O)C(F)(F)NC 7a_106832991635_100000210910 [0,2,0,0,0,0|1,0,1]=4 2672 B9R0.19 CCOC(=O)C(F)(F)OC 34a_100138415774_100000210910 [0,2,0,0,0,0|1,0,1]=4 2673 B9R0.19 CCOC(=O)C(F)(F)SC 62a_100000210910_200000210301 [0,2,0,0,0,0|1,0,1]=4 2674 B9R0.19 CCOC(=O)C(F)(F)SC 62a_200000210301_100000210910 [0,2,0,0,0,0|1,0,1]=4 2675 B9R0.19 CCOC(=O)C(F)(F)S[13CH3] 62a_100000210910_200025704644 [0,2,0,0,0,0|1,0,1]=4 2676 B9R0.19 CCOC(=O)C(F)(F)S[13CH3] 62a_200025704644_100000210910 [0,2,0,0,0,0|1,0,1]=4 2677 B9R0.23 C/C=C(\C)/C(=O)CC(C)C 1458a_100020587367_100000210624 [0,2,0,0,0,0|1,0,0]=3 2678 B9R0.23 C/C=C(\C)/C(=O)CC(C)O 1458a_100020587367_100011218427 [0,2,0,0,0,0|1,0,0]=3 2679 B9R0.23 C/C=C(\C)/C(=O)CC(F)F 1458a_100020587367_100011934356 [0,2,0,0,0,0|2,0,0]=4 2680 B9R0.23 C/C=C(\C)/C(=O)NC(C)C 11a_100138425928_100020587367 [0,2,0,0,0,0|1,0,0]=3 2681 B9R0.23 C/C=C(\C)/C(=O)NC(C)C 1626a_100138425928_100020587367 [0,2,0,0,0,0|1,0,0]=3 2682 B9R0.23 C=C(C)CC(=O)/C(=C/C)/C 1458a_100020587367_100000748629 [0,2,0,0,0,0|1,0,1]=4 2683 B9R0.23 C=C(C)CC(=O)C(C)CC 1458a_100011192722_100000748629 [0,2,0,0,0,0|1,0,1]=4 2684 B9R0.23 C=C(C)CC(=O)C(O)CC 1458a_100011196387_100000748629 [0,2,0,0,0,0|1,0,1]=4 2685 B9R0.23 CC(C)OC(=O)[C@@H](C)O[13CH3] 34a_100015307928_200025704644 [0,2,0,0,0,0|1,0,1]=4 2686 B9R0.23 CC(C)OC(=O)[C@@H](C)O[13CH3] 7a_100015307928_200025704644 [0,2,0,0,0,0|1,0,1]=4 2687 B9R0.23 CCC(=O)C(=O)NC(C)C 1458a_100011220036_100000210202 [0,2,0,0,0,0|1,0,1]=4 2688 B9R0.23 CCC(C)C(=O)C=C(C)C 1458a_100000211388_100000758301 [0,2,0,0,0,0|1,0,0]=3 2689 B9R0.23 CCC(C)C(=O)C=C(C)Cl 1458a_200042562850_100000758301 [0,2,0,0,0,0|1,0,0]=3 2690 B9R0.23 CCC(C)C(=O)C=C(C)I 1458a_100025716642_100000758301 [0,2,0,0,0,0|1,0,0]=3 2691 B9R0.23 CCC(C)C(=O)C=C(Cl)Cl 1458a_100000137448_100000758301 [0,2,0,0,0,0|2,0,0]=4 2692 B9R0.23 CCN(C)C(=O)C=C(C)C 11a_100000225621_100000211388 [0,2,0,0,0,0|1,0,0]=3 2693 B9R0.23 CCN(C)C(=O)C=C(C)C 1626a_100000225621_100000211388 [0,2,0,0,0,0|1,0,0]=3 2694 B9R0.23 CCN(C)C(=O)C=C(C)C 240690a_100000225621_100000211388 [0,2,0,0,0,0|1,0,0]=3 2695 B9R0.23 CCN(C)C(=O)C=C(C)Cl 11a_100000225621_200042562850 [0,2,0,0,0,0|1,0,0]=3 2696 B9R0.23 CCN(C)C(=O)C=C(C)Cl 1626a_100000225621_200042562850 [0,2,0,0,0,0|1,0,0]=3 2697 B9R0.23 CCN(C)C(=O)C=C(C)Cl 240690a_100000225621_200042562850 [0,2,0,0,0,0|1,0,0]=3 2698 B9R0.23 CCN(C)C(=O)C=C(C)I 11a_100000225621_100025716642 [0,2,0,0,0,0|1,0,0]=3 2699 B9R0.23 CCN(C)C(=O)C=C(C)I 1626a_100000225621_100025716642 [0,2,0,0,0,0|1,0,0]=3 2700 B9R0.23 CCN(C)C(=O)C=C(Cl)Cl 1626a_100000225621_100000137448 [0,2,0,0,0,0|2,0,0]=4 2701 B9R0.23 CCN(C)C(=O)C=C(Cl)Cl 240690a_100000225621_100000137448 [0,2,0,0,0,0|2,0,0]=4 2702 B9R0.23 CCN(C)C(=O)CC(=O)C 1458a_100000070787_100011894763 [0,2,0,0,0,0|1,0,1]=4 2703 B9R0.23 CNC(=O)C(=O)CC(C)C 1458a_100011218921_100000210624 [0,2,0,0,0,0|2,0,0]=4 2704 B9R0.23 CNC(=O)C(=O)CC(C)O 1458a_100011218921_100011218427 [0,2,0,0,0,0|2,0,0]=4 2705 B9R0.23 CNC(=O)C(=O)NC(C)C 1626a_100102657272_100011220036 [0,2,0,0,0,0|2,0,0]=4 2706 B9R0.23 CNC(=O)C(=O)NC(C)C 1626a_100138425928_100011218921 [0,2,0,0,0,0|2,0,0]=4 2707 B9R0.23 CNC(=O)C(=O)NC(C)C 240690a_100102657272_100011220036 [0,2,0,0,0,0|2,0,0]=4 2708 B9R0.23 CNC(=O)C(=O)NC(C)C 240690a_100138425928_100011218921 [0,2,0,0,0,0|2,0,0]=4 2709 B9R0.23 CNC(=O)C(=O)NC(C)C 527a_100102657272_100011220036 [0,2,0,0,0,0|2,0,0]=4 2710 B9R0.23 CNC(=O)C(=O)NC(C)C 527a_100138425928_100011218921 [0,2,0,0,0,0|2,0,0]=4 2711 B9R0.23 COC(=O)C(=O)NC(C)C 11a_100138425928_100000024059 [0,2,0,0,0,0|2,0,0]=4 2712 B9R0.23 COC(=O)C(=O)NC(C)C 1626a_100138425928_100000024059 [0,2,0,0,0,0|2,0,0]=4 2713 B9R0.23 COC(=O)C(=O)NC(C)C 240690a_100138425928_100000024059 [0,2,0,0,0,0|2,0,0]=4 2714 B9R0.23 COC(=O)C(=O)NC(C)C 527a_100138425928_100000024059 [0,2,0,0,0,0|2,0,0]=4 2715 B9R0.23 CO[C@H](C)C(=O)OC(C)C 34a_100015307928_200000210301 [0,2,0,0,0,0|1,0,1]=4 2716 B9R0.23 CO[C@H](C)C(=O)OC(C)C 7a_100015307928_200000210301 [0,2,0,0,0,0|1,0,1]=4 2717 B9R0.27 C/C=C(\C)/C(=O)C(C)CC 1458a_100020587367_100000758301 [0,2,0,0,0,0|1,0,0]=3 2718 B9R0.27 C/C=C(\C)/C(=O)N(C)CC 11a_100000225621_100020587367 [0,2,0,0,0,0|1,0,0]=3 2719 B9R0.27 C/C=C(\C)/C(=O)N(C)CC 1626a_100000225621_100020587367 [0,2,0,0,0,0|1,0,0]=3 2720 B9R0.27 CCC(C)C(=O)C(=O)NC 1458a_100011218921_100000758301 [0,2,0,0,0,0|2,0,0]=4 2721 B9R0.27 CCN(C)C(=O)C(=O)NC 1626a_100000225621_100011218921 [0,2,0,0,0,0|2,0,0]=4 2722 B9R0.27 CCN(C)C(=O)C(=O)NC 240690a_100000225621_100011218921 [0,2,0,0,0,0|2,0,0]=4 2723 B9R0.27 CCN(C)C(=O)C(=O)NC 527a_100000225621_100011218921 [0,2,0,0,0,0|2,0,0]=4 2724 B9R0.27 CCN(C)C(=O)C(=O)OC 11a_100000225621_100000024059 [0,2,0,0,0,0|2,0,0]=4 2725 B9R0.27 CCN(C)C(=O)C(=O)OC 1626a_100000225621_100000024059 [0,2,0,0,0,0|2,0,0]=4 2726 B9R0.27 CCN(C)C(=O)C(=O)OC 240690a_100000225621_100000024059 [0,2,0,0,0,0|2,0,0]=4 2727 B9R0.27 CCN(C)C(=O)C(=O)OC 527a_100000225621_100000024059 [0,2,0,0,0,0|2,0,0]=4 2728 B9R0.37 CC=CC(=O)C(CC)CC 1458a_100000210699_100000210505 [0,2,0,0,0,0|1,0,0]=3 2729 B9R0.37 CC=CC(=O)N(CC)CC 11a_100000724800_100000210699 [0,2,0,0,0,0|1,0,0]=3 2730 B9R0.37 CC=CC(=O)N(CC)CC 1626a_100000724800_100000210699 [0,2,0,0,0,0|1,0,0]=3 2731 B9R0.37 CC=CC(=O)N(CC)CC 240690a_100000724800_100000210699 [0,2,0,0,0,0|1,0,0]=3 2732 B9R0.37 CCC(CC)C(=O)C=CBr 1458a_100016273825_100000210505 [0,2,0,0,0,0|2,0,0]=4 2733 B9R0.37 CCC(CC)C(=O)C=CCl 1458a_200016279998_100000210505 [0,2,0,0,0,0|2,0,0]=4 2734 B9R0.37 CCC(CC)C(=O)C=CI 1458a_100016256311_100000210505 [0,2,0,0,0,0|2,0,0]=4 2735 B9R0.37 CCN(CC)C(=O)C=CBr 1626a_100000724800_100016273825 [0,2,0,0,0,0|2,0,0]=4 2736 B9R0.37 CCN(CC)C(=O)C=CBr 240690a_100000724800_100016273825 [0,2,0,0,0,0|2,0,0]=4 2737 B9R0.37 CCN(CC)C(=O)C=CCl 11a_100000724800_200016279998 [0,2,0,0,0,0|2,0,0]=4 2738 B9R0.37 CCN(CC)C(=O)C=CCl 1626a_100000724800_200016279998 [0,2,0,0,0,0|2,0,0]=4 2739 B9R0.37 CCN(CC)C(=O)C=CCl 240690a_100000724800_200016279998 [0,2,0,0,0,0|2,0,0]=4 2740 B9R0.37 CCN(CC)C(=O)C=CI 1626a_100000724800_100016256311 [0,2,0,0,0,0|2,0,0]=4 2741 B9R0.37 CCOC(=O)C(C=O)SC 62a_100000053139_200000210301 [0,2,0,0,0,0|1,0,1]=4 2742 B9R0.37 CCOC(=O)C(C=O)SC 62a_200000210301_100000053139 [0,2,0,0,0,0|1,0,1]=4 2743 B9R0.37 CCOC(=O)C(C=O)S[13CH3] 62a_100000053139_200025704644 [0,2,0,0,0,0|1,0,1]=4 2744 B9R0.37 CCOC(=O)C(C=O)S[13CH3] 62a_200025704644_100000053139 [0,2,0,0,0,0|1,0,1]=4 2745 B9R0.37 CCOC(=O)C(CC)NC 2230a_106832991635_100000212269 [0,2,0,0,0,0|0,0,2]=4 2746 B9R0.37 CCOC(=O)C(CC)NC 34a_100102657272_100000212269 [0,2,0,0,0,0|0,0,2]=4 2747 B9R0.37 CCOC(=O)C(CC)NC 7a_106832991635_100000212269 [0,2,0,0,0,0|0,0,2]=4 2748 B9R0.37 CCOC(=O)C(CC)OC 34a_100011216719_200000210301 [0,2,0,0,0,0|0,0,2]=4 2749 B9R0.37 CCOC(=O)C(CC)OC 34a_100138415774_100000212269 [0,2,0,0,0,0|0,0,2]=4 2750 B9R0.37 CCOC(=O)C(CC)OC 7a_100011216719_200000210301 [0,2,0,0,0,0|0,0,2]=4 2751 B9R0.37 CCOC(=O)C(CC)O[13CH3] 34a_100011216719_200025704644 [0,2,0,0,0,0|0,0,2]=4 2752 B9R0.37 CCOC(=O)C(CC)O[13CH3] 7a_100011216719_200025704644 [0,2,0,0,0,0|0,0,2]=4 2753 B9R0.37 CCOC(=O)C(CC)SC 62a_100000212269_200000210301 [0,2,0,0,0,0|0,0,2]=4 2754 B9R0.37 CCOC(=O)C(CC)SC 62a_200000210301_100000212269 [0,2,0,0,0,0|0,0,2]=4 2755 B9R0.37 CCOC(=O)C(CC)S[13CH3] 62a_100000212269_200025704644 [0,2,0,0,0,0|0,0,2]=4 2756 B9R0.37 CCOC(=O)C(CC)S[13CH3] 62a_200025704644_100000212269 [0,2,0,0,0,0|0,0,2]=4 2757 B9R0.37 CCOC(=O)C(NC)SC 34a_100102657272_100009893047 [0,2,0,0,0,0|1,0,1]=4 2758 B9R0.37 CCOC(=O)C(OC)SC 34a_100138415774_100009893047 [0,2,0,0,0,0|1,0,1]=4 2759 B9R0.37 CCOC(=O)C(SC)SC 62a_100009893047_200000210301 [0,2,0,0,0,0|1,0,1]=4 2760 B9R0.37 CCOC(=O)C(SC)SC 62a_200000210301_100009893047 [0,2,0,0,0,0|1,0,1]=4 2761 B9R0.37 CCOC(=O)C(SC)S[13CH3] 62a_100009893047_200025704644 [0,2,0,0,0,0|1,0,1]=4 2762 B9R0.37 CCOC(=O)C(SC)S[13CH3] 62a_200025704644_100009893047 [0,2,0,0,0,0|1,0,1]=4 2763 B9R0.44 C/C=C/C(C)OC(C)(C)C 34a_200102604097_100000210625 [0,2,0,0,0,0|1,0,1]=4 2764 B9R0.44 CC(C)(C)NC(=O)C=CBr 1626a_100000715429_100016273825 [0,2,0,0,0,0|2,0,0]=4 2765 B9R0.44 CC(C)(C)NC(=O)C=CBr 240690a_100000715429_100016273825 [0,2,0,0,0,0|2,0,0]=4 2766 B9R0.44 CC(C)(C)NC(=O)C=CCl 11a_100000715429_200016279998 [0,2,0,0,0,0|2,0,0]=4 2767 B9R0.44 CC(C)(C)NC(=O)C=CCl 1626a_100000715429_200016279998 [0,2,0,0,0,0|2,0,0]=4 2768 B9R0.44 CC(C)(C)NC(=O)C=CCl 240690a_100000715429_200016279998 [0,2,0,0,0,0|2,0,0]=4 2769 B9R0.44 CC(C)(C)NC(=O)C=CI 1626a_100000715429_100016256311 [0,2,0,0,0,0|2,0,0]=4 2770 B9R0.44 CC(C)(C)OC(=O)CO[13CH3] 34a_100000752683_200025704644 [0,2,0,0,0,0|1,0,1]=4 2771 B9R0.44 CC(C)(C)OC(=O)CS[13CH3] 62a_100000183872_200025704644 [0,2,0,0,0,0|1,0,1]=4 2772 B9R0.44 CC(C)(C)OC(=O)CS[13CH3] 62a_200025704644_100000183872 [0,2,0,0,0,0|1,0,1]=4 2773 B9R0.44 CC=CC(=O)C[Si](C)(C)C 1458a_100000210699_100000233785 [0,2,0,0,0,0|1,1,0]=4 2774 B9R0.44 CC=CC(=O)NC(C)(C)C 11a_100000715429_100000210699 [0,2,0,0,0,0|1,0,0]=3 2775 B9R0.44 CC=CC(=O)NC(C)(C)C 1626a_100000715429_100000210699 [0,2,0,0,0,0|1,0,0]=3 2776 B9R0.44 CC=CC(=O)NC(C)(C)C 240690a_100000715429_100000210699 [0,2,0,0,0,0|1,0,0]=3 2777 B9R0.44 CC=CC(=O)NS(=O)(=O)C 2740a_100000171171_100000210699 [0,2,0,0,0,0|2,0,0]=4 2778 B9R0.44 CNCC(=O)OC(C)(C)C 2230a_106832991635_100000183872 [0,2,0,0,0,0|1,0,1]=4 2779 B9R0.44 CNCC(=O)OC(C)(C)C 34a_100102657272_100000183872 [0,2,0,0,0,0|1,0,1]=4 2780 B9R0.44 CNCC(=O)OC(C)(C)C 7a_106832991635_100000183872 [0,2,0,0,0,0|1,0,1]=4 2781 B9R0.44 COCC(=O)OC(C)(C)C 34a_100000752683_200000210301 [0,2,0,0,0,0|1,0,1]=4 2782 B9R0.44 COCC(=O)OC(C)(C)C 34a_100138415774_100000183872 [0,2,0,0,0,0|1,0,1]=4 2783 B9R0.44 CSCC(=O)OC(C)(C)C 62a_100000183872_200000210301 [0,2,0,0,0,0|1,0,1]=4 2784 B9R0.44 CSCC(=O)OC(C)(C)C 62a_200000210301_100000183872 [0,2,0,0,0,0|1,0,1]=4 2785 B9R0.53 C=C(C)CC(=O)C=C(C)C 1458a_100000211388_100000748629 [0,2,0,0,0,0|1,0,1]=4 2786 B9R0.53 C=C(C)CC(=O)C=C(C)Cl 1458a_200042562850_100000748629 [0,2,0,0,0,0|1,0,1]=4 2787 B9R0.53 C=C(C)CC(=O)C=C(C)I 1458a_100025716642_100000748629 [0,2,0,0,0,0|1,0,1]=4 2788 B9R0.53 C=C(C)CC(=O)CC(C)C 1458a_100000210554_100000748629 [0,2,0,0,0,0|1,0,1]=4 2789 B9R0.53 C=C(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100000748629 [0,2,0,0,0,0|1,0,1]=4 2790 B9R0.53 CC(=CC(=O)CC(C)C)C 1458a_100000211388_100000210624 [0,2,0,0,0,0|1,0,0]=3 2791 B9R0.53 CC(=CC(=O)CC(C)C)Cl 1458a_200042562850_100000210624 [0,2,0,0,0,0|1,0,0]=3 2792 B9R0.53 CC(=CC(=O)CC(C)C)I 1458a_100025716642_100000210624 [0,2,0,0,0,0|1,0,0]=3 2793 B9R0.53 CC(=CC(=O)CC(C)O)C 1458a_100000211388_100011218427 [0,2,0,0,0,0|1,0,0]=3 2794 B9R0.53 CC(=CC(=O)CC(C)O)Cl 1458a_200042562850_100011218427 [0,2,0,0,0,0|1,0,0]=3 2795 B9R0.53 CC(=CC(=O)CC(C)O)I 1458a_100025716642_100011218427 [0,2,0,0,0,0|1,0,0]=3 2796 B9R0.53 CC(=CC(=O)CC(F)F)C 1458a_100000211388_100011934356 [0,2,0,0,0,0|2,0,0]=4 2797 B9R0.53 CC(=CC(=O)CC(F)F)Cl 1458a_200042562850_100011934356 [0,2,0,0,0,0|2,0,0]=4 2798 B9R0.53 CC(=CC(=O)CC(F)F)I 1458a_100025716642_100011934356 [0,2,0,0,0,0|2,0,0]=4 2799 B9R0.53 CC(=CC(=O)NC(C)C)C 11a_100138425928_100000211388 [0,2,0,0,0,0|1,0,0]=3 2800 B9R0.53 CC(=CC(=O)NC(C)C)C 1626a_100138425928_100000211388 [0,2,0,0,0,0|1,0,0]=3 2801 B9R0.53 CC(=CC(=O)NC(C)C)C 240690a_100138425928_100000211388 [0,2,0,0,0,0|1,0,0]=3 2802 B9R0.53 CC(=CC(=O)NC(C)C)Cl 11a_100138425928_200042562850 [0,2,0,0,0,0|1,0,0]=3 2803 B9R0.53 CC(=CC(=O)NC(C)C)Cl 1626a_100138425928_200042562850 [0,2,0,0,0,0|1,0,0]=3 2804 B9R0.53 CC(=CC(=O)NC(C)C)Cl 240690a_100138425928_200042562850 [0,2,0,0,0,0|1,0,0]=3 2805 B9R0.53 CC(=CC(=O)NC(C)C)I 11a_100138425928_100025716642 [0,2,0,0,0,0|1,0,0]=3 2806 B9R0.53 CC(=CC(=O)NC(C)C)I 1626a_100138425928_100025716642 [0,2,0,0,0,0|1,0,0]=3 2807 B9R0.53 CC(=CC(C)OC(C)C)C 34a_100000717055_100000210206 [0,2,0,0,0,0|1,0,1]=4 2808 B9R0.53 CC(=O)CC(=O)NC(C)C 1458a_100000070787_100000183996 [0,2,0,0,0,0|1,0,1]=4 2809 B9R0.53 CC(=O)CC(=O)OC(C)C 1458a_100000070787_100011215430 [0,2,0,0,0,0|0,0,1]=3 2810 B9R0.53 CC(C)CC(=O)C=C(Cl)Cl 1458a_100000137448_100000210624 [0,2,0,0,0,0|2,0,0]=4 2811 B9R0.53 CC(C)NC(=O)C=C(Cl)Cl 1626a_100138425928_100000137448 [0,2,0,0,0,0|2,0,0]=4 2812 B9R0.53 CC(C)NC(=O)C=C(Cl)Cl 240690a_100138425928_100000137448 [0,2,0,0,0,0|2,0,0]=4 2813 B9R0.53 CC(C)OC(=O)CN(C)C 2230a_100102631434_100011215430 [0,2,0,0,0,0|1,0,1]=4 2814 B9R0.53 CC(C)OC(=O)CN(C)C 269982a_100102631434_100011215430 [0,2,0,0,0,0|1,0,1]=4 2815 B9R0.53 CC(O)CC(=O)C=C(Cl)Cl 1458a_100000137448_100011218427 [0,2,0,0,0,0|2,0,0]=4 2816 B9R0.17 C/C=C/C(CCC)OCC 34a_200016264281_100000210202 [0,2,0,0,0,0|1,0,1]=4 2817 B9R0.17 C/C=C/C(CCC)OCC 7a_200016264281_100000210202 [0,2,0,0,0,0|1,0,1]=4 2818 B7R1.1 COc1ccsc1 34a_100000106738_200000210301 [1,0,0,1,0,0|2,0,0]=4 2819 B7R1.1 COc1ccsc1 7a_100000106738_200000210301 [1,0,0,1,0,0|2,0,0]=4 2820 B7R1.1 [13CH3]Oc1ccsc1 34a_100000106738_200025704644 [1,0,0,1,0,0|2,0,0]=4 2821 B7R1.1 [13CH3]Oc1ccsc1 7a_100000106738_200025704644 [1,0,0,1,0,0|2,0,0]=4 2822 B7R1.8 CNC1CCC1=O 34a_100102657272_100009892977 [1,0,0,1,0,0|1,0,1]=4 2823 B7R1.8 CNC1CCC1=O 7a_106832991635_100009892977 [1,0,0,1,0,0|1,0,1]=4 2824 B7R1.8 COC1CCC1=O 34a_100138415774_100009892977 [1,0,0,1,0,0|1,0,1]=4 2825 B7R1.8 CSC1CCC1=O 62a_100009892977_200000210301 [1,0,0,1,0,0|1,0,1]=4 2826 B7R1.8 CSC1CCC1=O 62a_200000210301_100009892977 [1,0,0,1,0,0|1,0,1]=4 2827 B7R1.8 [13CH3]SC1CCC1=O 62a_100009892977_200025704644 [1,0,0,1,0,0|1,0,1]=4 2828 B7R1.8 [13CH3]SC1CCC1=O 62a_200025704644_100009892977 [1,0,0,1,0,0|1,0,1]=4 2829 B7R1.22 CCC(=O)C1CC1 1458a_100000210395_100000210202 [1,0,0,1,0,0|0,0,2]=4 2830 B7R1.22 CCC(=O)C1CO1 1458a_100000701028_100000210202 [1,0,0,1,0,0|1,0,1]=4 2831 B7R1.22 CNC(=O)C1CC1 11a_106832991635_100000210395 [1,0,0,1,0,0|2,0,0]=4 2832 B7R1.22 CNC(=O)C1CC1 1626a_100102657272_100000210395 [1,0,0,1,0,0|2,0,0]=4 2833 B7R1.22 CNC(=O)C1CC1 240690a_100102657272_100000210395 [1,0,0,1,0,0|2,0,0]=4 2834 B7R1.22 CNC(=O)C1CC1 527a_100102657272_100000210395 [1,0,0,1,0,0|2,0,0]=4 2835 B9R1.2 CCN1CCOC(=O)C1 2230a_100000131268_100000210202 [0,1,0,1,0,0|0,0,2]=4 2836 B9R1.7 CC=Cc1nc(no1)C 270196a_100000212224_100000210699 [0,1,0,1,0,0|1,0,1]=4 2837 B9R1.7 CC=Cc1nnc(o1)C 271570a_100016259895_100000708914 [0,1,0,1,0,0|1,0,1]=4 2838 B9R1.7 CC=Cc1noc(n1)C 270196a_200000210507_100000070787 [0,1,0,1,0,0|1,0,1]=4 2839 B9R1.7 CC=Cc1noc(n1)C 271570a_100016259895_100012003639 [0,1,0,1,0,0|1,0,1]=4 2840 B9R1.7 CCOc1ccn(n1)C 34a_100012642153_100000210202 [0,1,0,1,0,0|1,0,0]=3 2841 B9R1.7 CCOc1cn(nn1)C 274090a_200000210301_100000036479 [0,1,0,1,0,0|2,0,0]=4 2842 B9R1.7 CCOc1cn(nn1)[13CH3] 274090a_200025704644_100000036479 [0,1,0,1,0,0|2,0,0]=4 2843 B9R1.7 CCOc1cnn(c1)C 34a_100000707646_100000210202 [0,1,0,1,0,0|2,0,0]=4 2844 B9R1.7 CCOc1nc(cs1)O 271570a_203496583355_100011934640 [0,1,0,1,0,0|2,0,0]=4 2845 B9R1.7 CCSc1c[nH]c(n1)C 62a_100000210202_100009814057 [0,1,0,1,0,0|1,1,0]=4 2846 B9R1.7 CCSc1c[nH]c(n1)C 62a_100009814057_100000210202 [0,1,0,1,0,0|1,1,0]=4 2847 B9R1.7 CCSc1cc([nH]n1)C 62a_100000210202_100009819999 [0,1,0,1,0,0|1,1,0]=4 2848 B9R1.7 CCSc1cc([nH]n1)C 62a_100009819999_100000210202 [0,1,0,1,0,0|1,1,0]=4 2849 B9R1.7 CCSc1cc(cs1)C 62a_100000210202_100009876951 [0,1,0,1,0,0|0,2,0]=4 2850 B9R1.7 CCSc1cc(cs1)C 62a_100009876951_100000210202 [0,1,0,1,0,0|0,2,0]=4 2851 B9R1.7 CCSc1cc(ns1)C 62a_100000210202_100009815735 [0,1,0,1,0,0|0,2,0]=4 2852 B9R1.7 CCSc1cc(ns1)C 62a_100009815735_100000210202 [0,1,0,1,0,0|0,2,0]=4 2853 B9R1.7 CCSc1cc(on1)C 62a_100000210202_100000716708 [0,1,0,1,0,0|0,1,1]=4 2854 B9R1.7 CCSc1cc(on1)C 62a_100000716708_100000210202 [0,1,0,1,0,0|0,1,1]=4 2855 B9R1.7 CCSc1ccc(s1)C 62a_100000031368_100000210202 [0,1,0,1,0,0|0,2,0]=4 2856 B9R1.7 CCSc1ccc(s1)C 62a_100000210202_100000031368 [0,1,0,1,0,0|0,2,0]=4 2857 B9R1.7 CCSc1ccn(n1)C 62a_100000210202_100000752436 [0,1,0,1,0,0|1,1,0]=4 2858 B9R1.7 CCSc1ccn(n1)C 62a_100000752436_100000210202 [0,1,0,1,0,0|1,1,0]=4 2859 B9R1.7 CCSc1cnc(s1)C 62a_100000210202_100000764884 [0,1,0,1,0,0|0,2,0]=4 2860 B9R1.7 CCSc1cnc(s1)C 62a_100000764884_100000210202 [0,1,0,1,0,0|0,2,0]=4 2861 B9R1.7 CCSc1csc(c1)C 62a_100000210202_100000759034 [0,1,0,1,0,0|0,2,0]=4 2862 B9R1.7 CCSc1csc(c1)C 62a_100000759034_100000210202 [0,1,0,1,0,0|0,2,0]=4 2863 B9R1.7 CCSc1csc(n1)C 62a_100000210202_100011934587 [0,1,0,1,0,0|1,1,0]=4 2864 B9R1.7 CCSc1csc(n1)C 62a_100011934587_100000210202 [0,1,0,1,0,0|1,1,0]=4 2865 B9R1.7 CCSc1nc(c[nH]1)C 62a_100000210202_100161115468 [0,1,0,1,0,0|1,1,0]=4 2866 B9R1.7 CCSc1nc(c[nH]1)C 62a_100161115468_100000210202 [0,1,0,1,0,0|1,1,0]=4 2867 B9R1.7 CCSc1nc(cs1)C 62a_100000210202_100011291629 [0,1,0,1,0,0|1,1,0]=4 2868 B9R1.7 CCSc1nc(cs1)C 62a_100011291629_100000210202 [0,1,0,1,0,0|1,1,0]=4 2869 B9R1.7 CCSc1ncc(s1)C 62a_100000210202_100000690809 [0,1,0,1,0,0|0,2,0]=4 2870 B9R1.7 CCSc1ncc(s1)C 62a_100000690809_100000210202 [0,1,0,1,0,0|0,2,0]=4 2871 B9R1.7 Cn1ccc(n1)OCF 34a_100012642153_100015361967 [0,1,0,1,0,0|2,0,0]=4 2872 B9R1.8 CCOC1C=CCCC1 34a_100011215024_100000210202 [0,1,0,1,0,0|1,0,1]=4 2873 B9R1.8 CCOC1CC=CCC1 34a_100000073881_100000210202 [0,1,0,1,0,0|1,0,1]=4 2874 B9R1.8 CCOc1ccccc1 34a_100000210340_100000210202 [0,1,0,1,0,0|1,0,1]=4 2875 B9R1.8 CCOc1ccccc1 7a_100000210340_100000210202 [0,1,0,1,0,0|1,0,1]=4 2876 B9R1.8 CCOc1cccnc1 34a_100000210849_100000210202 [0,1,0,1,0,0|1,0,1]=4 2877 B9R1.8 CCOc1cccnc1 7a_100000210849_100000210202 [0,1,0,1,0,0|1,0,1]=4 2878 B9R1.8 CCOc1ccncc1 34a_100000212176_100000210202 [0,1,0,1,0,0|1,0,1]=4 2879 B9R1.8 CCOc1ccnnc1 34a_100015204005_100000210202 [0,1,0,1,0,0|2,0,0]=4 2880 B9R1.8 CCOc1cncnc1 7a_100000754086_100000210202 [0,1,0,1,0,0|2,0,0]=4 2881 B9R1.12 CCCOc1ccsc1 34a_100000106738_100000210303 [0,1,0,1,0,0|2,0,0]=4 2882 B9R1.12 CCCOc1ccsc1 7a_100000106738_100000210303 [0,1,0,1,0,0|2,0,0]=4 2883 B9R1.12 CCNN=C1C=CCC1 4a_100000756455_100000239507 [0,1,0,1,0,0|2,0,0]=4 2884 B9R1.12 CCOCc1ccco1 34a_100000210059_100000210202 [0,1,0,1,0,0|0,0,2]=4 2885 B9R1.12 CCOCc1cccs1 34a_100000211240_100000210202 [0,1,0,1,0,0|0,1,1]=4 2886 B9R1.12 CCOCc1ccn[nH]1 34a_100121572206_100000728653 [0,1,0,1,0,0|2,0,0]=4 2887 B9R1.12 CCOCc1ccno1 34a_100000740478_100000210202 [0,1,0,1,0,0|1,0,1]=4 2888 B9R1.12 CCOCc1ccoc1 34a_100011215357_100000210202 [0,1,0,1,0,0|2,0,0]=4 2889 B9R1.12 CCOCc1ccon1 34a_100121572206_100000234950 [0,1,0,1,0,0|2,0,0]=4 2890 B9R1.12 CCOCc1ccsc1 34a_100011215551_100000210202 [0,1,0,1,0,0|2,0,0]=4 2891 B9R1.12 CCOCc1ccsc1 34a_100121572206_100011261437 [0,1,0,1,0,0|2,0,0]=4 2892 B9R1.12 CSCOc1ccsc1 34a_100000106738_100011218213 [0,1,0,1,0,0|2,0,0]=4 2893 B9R1.12 FCCOc1ccsc1 34a_100000106738_100011217306 [0,1,0,1,0,0|2,0,0]=4 2894 B9R1.12 FCCOc1ccsc1 7a_100000106738_100011217306 [0,1,0,1,0,0|2,0,0]=4 2895 B9R1.12 OCCOc1ccsc1 34a_100000106738_100000211926 [0,1,0,1,0,0|2,0,0]=4 2896 B9R1.12 OCCOc1ccsc1 7a_100000106738_100000211926 [0,1,0,1,0,0|2,0,0]=4 2897 B9R1.22 CC1CC(C(=O)O1)S[13CH3] 62a_200000216747_200025704644 [0,1,0,1,0,0|1,0,1]=4 2898 B9R1.22 CC1CC(C(=O)O1)S[13CH3] 62a_200025704644_200000216747 [0,1,0,1,0,0|1,0,1]=4 2899 B9R1.22 CCn1nc(cc1C)O 271570a_203496583355_100010781242 [0,1,0,1,0,0|1,0,1]=4 2900 B9R1.22 CNC1CC(OC1=O)C 2230a_106832991635_200000216747 [0,1,0,1,0,0|1,0,1]=4 2901 B9R1.22 CNC1CC(OC1=O)C 34a_100102657272_200000216747 [0,1,0,1,0,0|1,0,1]=4 2902 B9R1.22 CNC1CC(OC1=O)C 7a_106832991635_200000216747 [0,1,0,1,0,0|1,0,1]=4 2903 B9R1.22 COC1CC(OC1=O)C 34a_100138415774_200000216747 [0,1,0,1,0,0|1,0,1]=4 2904 B9R1.22 CSC1CC(OC1=O)C 62a_200000210301_200000216747 [0,1,0,1,0,0|1,0,1]=4 2905 B9R1.22 CSC1CC(OC1=O)C 62a_200000216747_200000210301 [0,1,0,1,0,0|1,0,1]=4 2906 B9R1.33 CCNC1CCOC1=O 2230a_100015525214_100000211211 [0,1,0,1,0,0|0,0,2]=4 2907 B9R1.33 CCOC1CCCC1=O 34a_100121572206_100000709159 [0,1,0,1,0,0|0,0,2]=4 2908 B9R1.33 CCOC1CCCC1=O 34a_200000719330_100000210202 [0,1,0,1,0,0|0,0,2]=4 2909 B9R1.33 CCOC1CCOC1=O 34a_100121572206_100000211211 [0,1,0,1,0,0|0,0,2]=4 2910 B9R1.33 CCO[C@H]1CCNC1=O 34a_100000688343_100000210202 [0,1,0,1,0,0|1,0,1]=4 2911 B9R1.33 CCOc1ccnn1C 34a_100020632926_100000210202 [0,1,0,1,0,0|2,0,0]=4 2912 B9R1.33 CCSC1CCOC1=O 62a_100000210202_100000211211 [0,1,0,1,0,0|0,0,2]=4 2913 B9R1.33 CCSC1CCOC1=O 62a_100000211211_100000210202 [0,1,0,1,0,0|0,0,2]=4 2914 B9R1.33 O=C1OCCC1SCF 62a_100000211211_100015361967 [0,1,0,1,0,0|1,0,1]=4 2915 B9R1.33 O=C1OCCC1SCF 62a_100015361967_100000211211 [0,1,0,1,0,0|1,0,1]=4 2916 B9R1.73 C=CCC(=O)C1CCO1 1458a_100000089072_100000210623 [0,1,0,1,0,0|0,0,2]=4 2917 B9R1.73 CC=CC(=O)C1CCC1 1458a_100000210699_100000749161 [0,1,0,1,0,0|1,0,0]=3 2918 B9R1.73 CC=CC(=O)C1COC1 1458a_100000210699_100000687716 [0,1,0,1,0,0|1,0,0]=3 2919 B9R1.73 CC=CC(=O)N1CCC1 11a_100000754969_100000210699 [0,1,0,1,0,0|1,0,0]=3 2920 B9R1.73 CC=CC(=O)N1CCC1 240690a_100000754969_100000210699 [0,1,0,1,0,0|1,0,0]=3 2921 B9R1.73 CCCC(=O)C1CCO1 1458a_100000089072_100000210303 [0,1,0,1,0,0|0,0,2]=4 2922 B9R1.73 CCNC(=O)C1CCO1 11a_100015525214_100000089072 [0,1,0,1,0,0|1,0,1]=4 2923 B9R1.73 CCNC(=O)C1CCO1 240690a_100015525214_100000089072 [0,1,0,1,0,0|1,0,1]=4 2924 B9R1.73 CCNC(=O)C1CCO1 527a_100015525214_100000089072 [0,1,0,1,0,0|1,0,1]=4 2925 B9R1.73 CNNC(=O)C1CCO1 22a_100016993582_100000089072 [0,1,0,1,0,0|2,0,0]=4 2926 B9R1.73 O=C(C=CBr)C1CCC1 1458a_100016273825_100000749161 [0,1,0,1,0,0|2,0,0]=4 2927 B9R1.73 O=C(C=CBr)C1COC1 1458a_100016273825_100000687716 [0,1,0,1,0,0|2,0,0]=4 2928 B9R1.73 O=C(C=CBr)N1CCC1 240690a_100000754969_100016273825 [0,1,0,1,0,0|2,0,0]=4 2929 B9R1.73 O=C(C=CCl)C1CCC1 1458a_200016279998_100000749161 [0,1,0,1,0,0|2,0,0]=4 2930 B9R1.73 O=C(C=CCl)C1COC1 1458a_200016279998_100000687716 [0,1,0,1,0,0|2,0,0]=4 2931 B9R1.73 O=C(C=CCl)N1CCC1 11a_100000754969_200016279998 [0,1,0,1,0,0|2,0,0]=4 2932 B9R1.73 O=C(C=CCl)N1CCC1 240690a_100000754969_200016279998 [0,1,0,1,0,0|2,0,0]=4 2933 B9R1.73 O=C(C=CI)C1CCC1 1458a_100016256311_100000749161 [0,1,0,1,0,0|2,0,0]=4 2934 B9R1.73 O=C(C=CI)C1COC1 1458a_100016256311_100000687716 [0,1,0,1,0,0|2,0,0]=4 2935 B9R1.75 C/C=C/C(C)OC1CC1 34a_200102604097_100000211595 [0,1,0,1,0,0|1,0,1]=4 2936 B9R1.75 CC=CC(=O)CC1CC1 1458a_100000210699_100000742324 [0,1,0,1,0,0|1,0,0]=3 2937 B9R1.75 CC=CC(=O)CC1CO1 1458a_100000210699_100011216344 [0,1,0,1,0,0|1,0,0]=3 2938 B9R1.75 CC=CC(=O)CC1CS1 1458a_100000210699_100000031435 [0,1,0,1,0,0|1,0,0]=3 2939 B9R1.75 CC=CC(=O)C[C@@H]1CO1 1458a_100000210699_100000745022 [0,1,0,1,0,0|1,0,0]=3 2940 B9R1.75 CC=CC(=O)NC1CC1 1626a_100000212008_100000210699 [0,1,0,1,0,0|1,0,0]=3 2941 B9R1.75 CC=CC(=O)NC1CC1 240690a_100000212008_100000210699 [0,1,0,1,0,0|1,0,0]=3 2942 B9R1.75 O=C(C=CBr)CC1CC1 1458a_100016273825_100000742324 [0,1,0,1,0,0|2,0,0]=4 2943 B9R1.75 O=C(C=CBr)CC1CO1 1458a_100016273825_100011216344 [0,1,0,1,0,0|2,0,0]=4 2944 B9R1.75 O=C(C=CBr)CC1CS1 1458a_100016273825_100000031435 [0,1,0,1,0,0|2,0,0]=4 2945 B9R1.75 O=C(C=CBr)C[C@@H]1CO1 1458a_100016273825_100000745022 [0,1,0,1,0,0|2,0,0]=4 2946 B9R1.75 O=C(C=CBr)NC1CC1 1626a_100000212008_100016273825 [0,1,0,1,0,0|2,0,0]=4 2947 B9R1.75 O=C(C=CBr)NC1CC1 240690a_100000212008_100016273825 [0,1,0,1,0,0|2,0,0]=4 2948 B9R1.75 O=C(C=CCl)CC1CC1 1458a_200016279998_100000742324 [0,1,0,1,0,0|2,0,0]=4 2949 B9R1.75 O=C(C=CCl)CC1CO1 1458a_200016279998_100011216344 [0,1,0,1,0,0|2,0,0]=4 2950 B9R1.75 O=C(C=CCl)CC1CS1 1458a_200016279998_100000031435 [0,1,0,1,0,0|2,0,0]=4 2951 B9R1.75 O=C(C=CCl)C[C@@H]1CO1 1458a_200016279998_100000745022 [0,1,0,1,0,0|2,0,0]=4 2952 B9R1.75 O=C(C=CCl)NC1CC1 1626a_100000212008_200016279998 [0,1,0,1,0,0|2,0,0]=4 2953 B9R1.75 O=C(C=CCl)NC1CC1 240690a_100000212008_200016279998 [0,1,0,1,0,0|2,0,0]=4 2954 B9R1.75 O=C(C=CI)CC1CC1 1458a_100016256311_100000742324 [0,1,0,1,0,0|2,0,0]=4 2955 B9R1.75 O=C(C=CI)CC1CO1 1458a_100016256311_100011216344 [0,1,0,1,0,0|2,0,0]=4 2956 B9R1.75 O=C(C=CI)CC1CS1 1458a_100016256311_100000031435 [0,1,0,1,0,0|2,0,0]=4 2957 B9R1.75 O=C(C=CI)C[C@@H]1CO1 1458a_100016256311_100000745022 [0,1,0,1,0,0|2,0,0]=4 2958 B9R1.75 O=C(C=CI)NC1CC1 1626a_100000212008_100016256311 [0,1,0,1,0,0|2,0,0]=4 2959 B9R1.100 C/C=C/CC(=O)C1CC1 1458a_100000210395_100102629194 [0,1,0,1,0,0|1,0,0]=3 2960 B9R1.100 C/C=C/CC(=O)C1CO1 1458a_100000701028_100102629194 [0,1,0,1,0,0|2,0,0]=4 2961 B9R1.100 CC=CCC(=O)C1CC1 1458a_100000210395_100000070051 [0,1,0,1,0,0|1,0,0]=3 2962 B9R1.100 CC=CCC(=O)C1CO1 1458a_100000701028_100000070051 [0,1,0,1,0,0|2,0,0]=4 2963 B9R1.100 CC=NNC(=O)C1CC1 4a_100000183419_200000210099 [0,1,0,1,0,0|2,0,0]=4 2964 B9R1.100 CCOCC(=O)C1CC1 34a_100000686663_100000210202 [0,1,0,1,0,0|0,0,2]=4 2965 B9R1.100 CCOCC(=O)C1CC1 34a_100121572206_100000746382 [0,1,0,1,0,0|0,0,2]=4 2966 B9R1.100 CNCOC(=O)C1CC1 2230a_106832991635_100000140896 [0,1,0,1,0,0|0,0,2]=4 2967 B9R1.100 CNCOC(=O)C1CC1 34a_100102657272_100000140896 [0,1,0,1,0,0|0,0,2]=4 2968 B9R1.100 COCOC(=O)C1CC1 34a_100138415774_100000140896 [0,1,0,1,0,0|0,0,2]=4 2969 B9R1.100 CSCOC(=O)C1CC1 62a_100000140896_200000210301 [0,1,0,1,0,0|0,0,2]=4 2970 B9R1.100 CSCOC(=O)C1CC1 62a_200000210301_100000140896 [0,1,0,1,0,0|0,0,2]=4 2971 B9R1.100 [13CH3]SCOC(=O)C1CC1 62a_100000140896_200025704644 [0,1,0,1,0,0|0,0,2]=4 2972 B9R1.100 [13CH3]SCOC(=O)C1CC1 62a_200025704644_100000140896 [0,1,0,1,0,0|0,0,2]=4 2973 B9R1.13 CC(=O)C=C1CCCC1 1458a_100000743260_200000210301 [0,1,0,1,0,0|2,0,0]=4 2974 B9R1.13 CC(C)Oc1ccsc1 34a_100000106738_100000210206 [0,1,0,1,0,0|2,0,0]=4 2975 B9R1.13 CC(C)Oc1ccsc1 7a_100000106738_100000210206 [0,1,0,1,0,0|2,0,0]=4 2976 B9R1.13 [13CH3]C(=O)C=C1CCCC1 1458a_100000743260_200025704644 [0,1,0,1,0,0|2,0,0]=4 2977 B9R1.41 CC(=O)C1CCCC1=O 1458a_100000070787_100000211823 [0,1,0,1,0,0|1,0,1]=4 2978 B9R1.41 CC(=O)C1CCOC1=O 1458a_100000070787_100000211211 [0,1,0,1,0,0|0,0,1]=3 2979 B9R1.41 CN(C)C1CCOC1=O 2230a_100102631434_100000211211 [0,1,0,1,0,0|1,0,1]=4 2980 B9R1.41 CN(C)C1CCOC1=O 269982a_100102631434_100000211211 [0,1,0,1,0,0|1,0,1]=4 2981 B9R1.137 C=C(C)CC(=O)C1CC1 1458a_100000210395_100000748629 [0,1,0,1,0,0|1,0,1]=4 2982 B9R1.137 CC(=CC(=O)[13CH3])C1CC1 1458a_100000742917_200025704644 [0,1,0,1,0,0|2,0,0]=4 2983 B9R1.137 CC(=O)C=C(C)C1CC1 1458a_100000742917_200000210301 [0,1,0,1,0,0|2,0,0]=4 2984 B9R1.137 CC(=O)CC(=O)C1CC1 1458a_100000070787_100000746382 [0,1,0,1,0,0|1,0,1]=4