0 B8R0.1 C#CCC(=O)CCCC 1458a_100000210183_100000184674 [0,0,0,0,0,0|0,0,3]=3 1 B8R0.1 C#CCC(=O)CCCC 1458a_100011220946_100000210211 [0,0,0,0,0,0|0,0,3]=3 2 B8R0.1 C#CCC(=O)CCCF 1458a_100011220946_100011934791 [0,0,0,0,0,0|1,0,3]=4 3 B8R0.1 C#CCC(=O)CCCO 1458a_100011220946_100011215043 [0,0,0,0,0,0|1,0,3]=4 4 B8R0.1 C#CCC(=O)CCOC 1458a_100000749529_100000184674 [0,0,0,0,0,0|1,0,3]=4 5 B8R0.1 C#CCC(=O)CCOC 1458a_100011220946_100000233755 [0,0,0,0,0,0|1,0,3]=4 6 B8R0.1 C#CCC(=O)CCSC 1458a_100000174002_100000184674 [0,0,0,0,0,0|1,0,3]=4 7 B8R0.1 C#CCC(=O)CCSC 1458a_100011220946_100000751147 [0,0,0,0,0,0|1,0,3]=4 8 B8R0.1 C#CCC(=O)COCC 1458a_100000211967_100000184674 [0,0,0,0,0,0|1,0,3]=4 9 B8R0.1 C#CCC(=O)CSCC 1458a_100000230394_100000184674 [0,0,0,0,0,0|1,0,3]=4 10 B8R0.1 C#CCC(=O)NCCC 1626a_100020643023_100011220946 [0,0,0,0,0,0|1,0,3]=4 11 B8R0.1 C#CCC(=O)NCCC 527a_100020643023_100011220946 [0,0,0,0,0,0|1,0,3]=4 12 B8R0.1 C#CCCC(=O)C#CC 1458a_100000763181_100000753159 [0,0,0,0,0,0|0,0,4]=4 13 B8R0.1 C#CCCC(=O)C=CBr 1458a_100016273825_100000753159 [0,0,0,0,0,0|1,0,2]=3 14 B8R0.1 C#CCCC(=O)C=CC 1458a_100000210699_100000753159 [0,0,0,0,0,0|0,0,2]=2 15 B8R0.1 C#CCCC(=O)C=CCl 1458a_200016279998_100000753159 [0,0,0,0,0,0|1,0,2]=3 16 B8R0.1 C#CCCC(=O)C=CI 1458a_100016256311_100000753159 [0,0,0,0,0,0|1,0,2]=3 17 B8R0.1 C#CCCC(=O)CC=C 1458a_100000210193_100000753159 [0,0,0,0,0,0|0,0,4]=4 18 B8R0.1 C#CCCC(=O)CC=C 1458a_100000692101_100000210623 [0,0,0,0,0,0|0,0,4]=4 19 B8R0.1 C#CCCC(=O)CCC 1458a_100000211992_100000753159 [0,0,0,0,0,0|0,0,4]=4 20 B8R0.1 C#CCCC(=O)CCC 1458a_100000692101_100000210303 [0,0,0,0,0,0|0,0,4]=4 21 B8R0.1 C#CCCC(=O)COC 1458a_100000210968_100000753159 [0,0,0,0,0,0|1,0,3]=4 22 B8R0.1 C#CCCC(=O)CSC 1458a_100000184570_100000753159 [0,0,0,0,0,0|1,0,3]=4 23 B8R0.1 C#CCCC(=O)NCC 11a_100015525214_100000692101 [0,0,0,0,0,0|1,0,3]=4 24 B8R0.1 C#CCCC(=O)NCC 240690a_100015525214_100000692101 [0,0,0,0,0,0|1,0,3]=4 25 B8R0.1 C#CCCC(=O)NCC 527a_100015525214_100000692101 [0,0,0,0,0,0|1,0,3]=4 26 B8R0.1 C#CCCC(=O)NNC 22a_100016993582_100000692101 [0,0,0,0,0,0|2,0,2]=4 27 B8R0.1 C#CCNC(=O)C=CBr 1626a_100000212058_100016273825 [0,0,0,0,0,0|2,0,2]=4 28 B8R0.1 C#CCNC(=O)C=CBr 240690a_100000212058_100016273825 [0,0,0,0,0,0|2,0,2]=4 29 B8R0.1 C#CCNC(=O)C=CC 11a_100000212058_100000210699 [0,0,0,0,0,0|1,0,2]=3 30 B8R0.1 C#CCNC(=O)C=CC 1626a_100000212058_100000210699 [0,0,0,0,0,0|1,0,2]=3 31 B8R0.1 C#CCNC(=O)C=CC 240690a_100000212058_100000210699 [0,0,0,0,0,0|1,0,2]=3 32 B8R0.1 C#CCNC(=O)C=CCl 11a_100000212058_200016279998 [0,0,0,0,0,0|2,0,2]=4 33 B8R0.1 C#CCNC(=O)C=CCl 1626a_100000212058_200016279998 [0,0,0,0,0,0|2,0,2]=4 34 B8R0.1 C#CCNC(=O)C=CCl 240690a_100000212058_200016279998 [0,0,0,0,0,0|2,0,2]=4 35 B8R0.1 C#CCNC(=O)C=CI 1626a_100000212058_100016256311 [0,0,0,0,0,0|2,0,2]=4 36 B8R0.1 C/C=C/C(C)OCCC 34a_200102604097_100000210303 [0,0,0,0,0,0|2,0,1]=3 37 B8R0.1 C/C=C/C(C)OCCF 34a_200102604097_100011217306 [0,0,0,0,0,0|3,0,1]=4 38 B8R0.1 C/C=C/C(C)OCCO 34a_200102604097_100000211926 [0,0,0,0,0,0|3,0,1]=4 39 B8R0.1 C/C=C/C(C)OCSC 34a_200102604097_100011218213 [0,0,0,0,0,0|3,0,1]=4 40 B8R0.1 C/C=C/CC(=O)C=CBr 1458a_100016273825_100102629194 [0,0,0,0,0,0|1,0,2]=3 41 B8R0.1 C/C=C/CC(=O)C=CCl 1458a_200016279998_100102629194 [0,0,0,0,0,0|1,0,2]=3 42 B8R0.1 C/C=C/CC(=O)C=CI 1458a_100016256311_100102629194 [0,0,0,0,0,0|1,0,2]=3 43 B8R0.1 C/C=C/CC(=O)CCC 1458a_100000211992_100102629194 [0,0,0,0,0,0|0,0,4]=4 44 B8R0.1 C/C=C/CC(=O)COC 1458a_100000210968_100102629194 [0,0,0,0,0,0|1,0,3]=4 45 B8R0.1 C/C=C/CC(=O)CSC 1458a_100000184570_100102629194 [0,0,0,0,0,0|1,0,3]=4 46 B8R0.1 C=CCC(=O)C#CCC 1458a_100011827653_100000210623 [0,0,0,0,0,0|0,0,4]=4 47 B8R0.1 C=CCC(=O)C/C=C/C 1458a_100000210193_100102629194 [0,0,0,0,0,0|0,0,4]=4 48 B8R0.1 C=CCC(=O)C=CCC 1458a_100000212282_100000210623 [0,0,0,0,0,0|0,0,4]=4 49 B8R0.1 C=CCC(=O)CC#CC 1458a_100000210193_100000748600 [0,0,0,0,0,0|0,0,4]=4 50 B8R0.1 C=CCC(=O)CC=CC 1458a_100000210193_100000070051 [0,0,0,0,0,0|0,0,4]=4 51 B8R0.1 C=CCC(=O)CC=CC 1458a_100121576822_100000210623 [0,0,0,0,0,0|0,0,4]=4 52 B8R0.1 C=CCC(=O)CCC#N 1458a_100000210193_100011215226 [0,0,0,0,0,0|1,0,3]=4 53 B8R0.1 C=CCC(=O)CCC#N 1458a_100011934036_100000210623 [0,0,0,0,0,0|1,0,3]=4 54 B8R0.1 C=CCC(=O)CCCC 1458a_100000210183_100000210623 [0,0,0,0,0,0|0,0,2]=2 55 B8R0.1 C=CCC(=O)CCCC 1458a_100000210193_100000210211 [0,0,0,0,0,0|0,0,2]=2 56 B8R0.1 C=CCC(=O)CCCF 1458a_100000210193_100011934791 [0,0,0,0,0,0|1,0,2]=3 57 B8R0.1 C=CCC(=O)CCCO 1458a_100000210193_100011215043 [0,0,0,0,0,0|1,0,2]=3 58 B8R0.1 C=CCC(=O)CCOC 1458a_100000210193_100000233755 [0,0,0,0,0,0|1,0,2]=3 59 B8R0.1 C=CCC(=O)CCOC 1458a_100000749529_100000210623 [0,0,0,0,0,0|1,0,2]=3 60 B8R0.1 C=CCC(=O)CCSC 1458a_100000174002_100000210623 [0,0,0,0,0,0|1,0,2]=3 61 B8R0.1 C=CCC(=O)CCSC 1458a_100000210193_100000751147 [0,0,0,0,0,0|1,0,2]=3 62 B8R0.1 C=CCC(=O)COCC 1458a_100000211967_100000210623 [0,0,0,0,0,0|1,0,2]=3 63 B8R0.1 C=CCC(=O)CSCC 1458a_100000230394_100000210623 [0,0,0,0,0,0|1,0,2]=3 64 B8R0.1 C=CCC(=O)NCCC 11a_100020643023_100000210193 [0,0,0,0,0,0|1,0,2]=3 65 B8R0.1 C=CCC(=O)NCCC 1626a_100020643023_100000210193 [0,0,0,0,0,0|1,0,2]=3 66 B8R0.1 C=CCC(=O)NCCC 240690a_100020643023_100000210193 [0,0,0,0,0,0|1,0,2]=3 67 B8R0.1 C=CCC(=O)NCCC 527a_100020643023_100000210193 [0,0,0,0,0,0|1,0,2]=3 68 B8R0.1 C=CCC(=O)NCCF 11a_100000724931_100000210193 [0,0,0,0,0,0|2,0,2]=4 69 B8R0.1 C=CCC(=O)NCCF 1626a_100000724931_100000210193 [0,0,0,0,0,0|2,0,2]=4 70 B8R0.1 C=CCC(=O)NCCF 240690a_100000724931_100000210193 [0,0,0,0,0,0|2,0,2]=4 71 B8R0.1 C=CCC(=O)NCCF 527a_100000724931_100000210193 [0,0,0,0,0,0|2,0,2]=4 72 B8R0.1 C=CCC(=O)NCCO 240690a_100000210304_100000210193 [0,0,0,0,0,0|2,0,2]=4 73 B8R0.1 C=CCC(=O)NCCO 527a_100000210304_100000210193 [0,0,0,0,0,0|2,0,2]=4 74 B8R0.1 C=CCC(=O)NNCC 22a_100000756455_100000210193 [0,0,0,0,0,0|2,0,2]=4 75 B8R0.1 C=CCCC(=O)C#CC 1458a_100000763181_100000754431 [0,0,0,0,0,0|0,0,4]=4 76 B8R0.1 C=CCCC(=O)C=CBr 1458a_100016273825_100000754431 [0,0,0,0,0,0|1,0,2]=3 77 B8R0.1 C=CCCC(=O)C=CC 1458a_100000210699_100000754431 [0,0,0,0,0,0|0,0,2]=2 78 B8R0.1 C=CCCC(=O)C=CCl 1458a_200016279998_100000754431 [0,0,0,0,0,0|1,0,2]=3 79 B8R0.1 C=CCCC(=O)C=CI 1458a_100016256311_100000754431 [0,0,0,0,0,0|1,0,2]=3 80 B8R0.1 C=CCCC(=O)CC=C 1458a_100000210193_100000754431 [0,0,0,0,0,0|0,0,4]=4 81 B8R0.1 C=CCCC(=O)CC=C 1458a_100000749702_100000210623 [0,0,0,0,0,0|0,0,4]=4 82 B8R0.1 C=CCCC(=O)CCC 1458a_100000211992_100000754431 [0,0,0,0,0,0|0,0,4]=4 83 B8R0.1 C=CCCC(=O)CCC 1458a_100000749702_100000210303 [0,0,0,0,0,0|0,0,4]=4 84 B8R0.1 C=CCCC(=O)COC 1458a_100000210968_100000754431 [0,0,0,0,0,0|1,0,3]=4 85 B8R0.1 C=CCCC(=O)CSC 1458a_100000184570_100000754431 [0,0,0,0,0,0|1,0,3]=4 86 B8R0.1 C=CCCC(=O)NCC 11a_100015525214_100000749702 [0,0,0,0,0,0|1,0,3]=4 87 B8R0.1 C=CCCC(=O)NCC 240690a_100015525214_100000749702 [0,0,0,0,0,0|1,0,3]=4 88 B8R0.1 C=CCCC(=O)NCC 527a_100015525214_100000749702 [0,0,0,0,0,0|1,0,3]=4 89 B8R0.1 C=CCCC(=O)NNC 22a_100016993582_100000749702 [0,0,0,0,0,0|2,0,2]=4 90 B8R0.1 C=CCN(C)CCCC 2230a_100000207549_100000210623 [0,0,0,0,0,0|2,0,2]=4 91 B8R0.1 C=CCN(C)CCCC 2230a_100000225617_100000210211 [0,0,0,0,0,0|2,0,2]=4 92 B8R0.1 C=CCN(C)CCCC 269982a_100000207549_100000210623 [0,0,0,0,0,0|2,0,2]=4 93 B8R0.1 C=CCN(C)CCCC 269982a_100000225617_100000210211 [0,0,0,0,0,0|2,0,2]=4 94 B8R0.1 C=CCNC(=O)C=CBr 1626a_100020586998_100016273825 [0,0,0,0,0,0|2,0,2]=4 95 B8R0.1 C=CCNC(=O)C=CBr 240690a_100020586998_100016273825 [0,0,0,0,0,0|2,0,2]=4 96 B8R0.1 C=CCNC(=O)C=CC 1626a_100020586998_100000210699 [0,0,0,0,0,0|1,0,2]=3 97 B8R0.1 C=CCNC(=O)C=CC 240690a_100020586998_100000210699 [0,0,0,0,0,0|1,0,2]=3 98 B8R0.1 C=CCNC(=O)C=CCl 1626a_100020586998_200016279998 [0,0,0,0,0,0|2,0,2]=4 99 B8R0.1 C=CCNC(=O)C=CCl 240690a_100020586998_200016279998 [0,0,0,0,0,0|2,0,2]=4 100 B8R0.1 C=CCNC(=O)C=CI 1626a_100020586998_100016256311 [0,0,0,0,0,0|2,0,2]=4 101 B8R0.1 C=COC(=O)CNCC 2230a_100015525214_100000036128 [0,0,0,0,0,0|2,0,1]=3 102 B8R0.1 C=COC(=O)COCC 34a_100121572206_100000036128 [0,0,0,0,0,0|2,0,1]=3 103 B8R0.1 C=COC(=O)CSCC 62a_100000036128_100000210202 [0,0,0,0,0,0|2,0,1]=3 104 B8R0.1 C=COC(=O)CSCC 62a_100000210202_100000036128 [0,0,0,0,0,0|2,0,1]=3 105 B8R0.1 C=COC(=O)CSCF 62a_100000036128_100015361967 [0,0,0,0,0,0|3,0,1]=4 106 B8R0.1 C=COC(=O)CSCF 62a_100015361967_100000036128 [0,0,0,0,0,0|3,0,1]=4 107 B8R0.1 CC#CC(=O)C/C=C/C 1458a_100000763181_100102629194 [0,0,0,0,0,0|0,0,4]=4 108 B8R0.1 CC#CC(=O)CC=CC 1458a_100000763181_100000070051 [0,0,0,0,0,0|0,0,4]=4 109 B8R0.1 CC#CC(=O)CCC#N 1458a_100000763181_100011215226 [0,0,0,0,0,0|1,0,3]=4 110 B8R0.1 CC#CC(=O)CCCC 1458a_100000763181_100000210211 [0,0,0,0,0,0|0,0,2]=2 111 B8R0.1 CC#CC(=O)CCCF 1458a_100000763181_100011934791 [0,0,0,0,0,0|1,0,2]=3 112 B8R0.1 CC#CC(=O)CCCO 1458a_100000763181_100011215043 [0,0,0,0,0,0|1,0,2]=3 113 B8R0.1 CC#CC(=O)CCOC 1458a_100000763181_100000233755 [0,0,0,0,0,0|1,0,2]=3 114 B8R0.1 CC#CC(=O)CCSC 1458a_100000763181_100000751147 [0,0,0,0,0,0|1,0,2]=3 115 B8R0.1 CC#CC(=O)NNCC 22a_100000756455_100000763181 [0,0,0,0,0,0|2,0,2]=4 116 B8R0.1 CC#CCC(=O)C#CC 1458a_100000763181_100000748600 [0,0,0,0,0,0|0,0,4]=4 117 B8R0.1 CC#CCC(=O)C=CBr 1458a_100016273825_100000748600 [0,0,0,0,0,0|1,0,2]=3 118 B8R0.1 CC#CCC(=O)C=CC 1458a_100000210699_100000748600 [0,0,0,0,0,0|0,0,2]=2 119 B8R0.1 CC#CCC(=O)C=CCl 1458a_200016279998_100000748600 [0,0,0,0,0,0|1,0,2]=3 120 B8R0.1 CC#CCC(=O)C=CI 1458a_100016256311_100000748600 [0,0,0,0,0,0|1,0,2]=3 121 B8R0.1 CC#CCC(=O)CCC 1458a_100000211992_100000748600 [0,0,0,0,0,0|0,0,4]=4 122 B8R0.1 CC#CCC(=O)COC 1458a_100000210968_100000748600 [0,0,0,0,0,0|1,0,3]=4 123 B8R0.1 CC#CCC(=O)CSC 1458a_100000184570_100000748600 [0,0,0,0,0,0|1,0,3]=4 124 B8R0.1 CC=CC(=NNCC)C 4a_100000756455_100011218416 [0,0,0,0,0,0|3,0,0]=3 125 B8R0.1 CC=CC(=O)C/C=C/C 1458a_100000210699_100102629194 [0,0,0,0,0,0|0,0,2]=2 126 B8R0.1 CC=CC(=O)CCC#N 1458a_100000210699_100011215226 [0,0,0,0,0,0|1,0,1]=2 127 B8R0.1 CC=CC(=O)CCCC 1458a_100000210699_100000210211 [0,0,0,0,0,0|0,0,0]=0 128 B8R0.1 CC=CC(=O)CCCF 1458a_100000210699_100011934791 [0,0,0,0,0,0|1,0,0]=1 129 B8R0.1 CC=CC(=O)CCCO 1458a_100000210699_100011215043 [0,0,0,0,0,0|1,0,0]=1 130 B8R0.1 CC=CC(=O)CCOC 1458a_100000210699_100000233755 [0,0,0,0,0,0|1,0,0]=1 131 B8R0.1 CC=CC(=O)CCSC 1458a_100000210699_100000751147 [0,0,0,0,0,0|1,0,0]=1 132 B8R0.1 CC=CC(=O)NCC#N 1626a_100000734998_100000210699 [0,0,0,0,0,0|2,0,1]=3 133 B8R0.1 CC=CC(=O)NCCC 11a_100020643023_100000210699 [0,0,0,0,0,0|1,0,0]=1 134 B8R0.1 CC=CC(=O)NCCC 1626a_100020643023_100000210699 [0,0,0,0,0,0|1,0,0]=1 135 B8R0.1 CC=CC(=O)NCCC 240690a_100020643023_100000210699 [0,0,0,0,0,0|1,0,0]=1 136 B8R0.1 CC=CC(=O)NCCF 11a_100000724931_100000210699 [0,0,0,0,0,0|2,0,0]=2 137 B8R0.1 CC=CC(=O)NCCF 1626a_100000724931_100000210699 [0,0,0,0,0,0|2,0,0]=2 138 B8R0.1 CC=CC(=O)NCCF 240690a_100000724931_100000210699 [0,0,0,0,0,0|2,0,0]=2 139 B8R0.1 CC=CC(=O)NCCO 240690a_100000210304_100000210699 [0,0,0,0,0,0|2,0,0]=2 140 B8R0.1 CC=CC(=O)NNCC 22a_100000756455_100000210699 [0,0,0,0,0,0|2,0,0]=2 141 B8R0.1 CC=CCC(=O)C=CBr 1458a_100016273825_100000070051 [0,0,0,0,0,0|1,0,2]=3 142 B8R0.1 CC=CCC(=O)C=CC 1458a_100000210699_100000070051 [0,0,0,0,0,0|0,0,2]=2 143 B8R0.1 CC=CCC(=O)C=CCl 1458a_200016279998_100000070051 [0,0,0,0,0,0|1,0,2]=3 144 B8R0.1 CC=CCC(=O)C=CI 1458a_100016256311_100000070051 [0,0,0,0,0,0|1,0,2]=3 145 B8R0.1 CC=CCC(=O)CCC 1458a_100000211992_100000070051 [0,0,0,0,0,0|0,0,4]=4 146 B8R0.1 CC=CCC(=O)CCC 1458a_100121576822_100000210303 [0,0,0,0,0,0|0,0,4]=4 147 B8R0.1 CC=CCC(=O)COC 1458a_100000210968_100000070051 [0,0,0,0,0,0|1,0,3]=4 148 B8R0.1 CC=CCC(=O)CSC 1458a_100000184570_100000070051 [0,0,0,0,0,0|1,0,3]=4 149 B8R0.1 CC=CCC(=O)NCC 11a_100015525214_100121576822 [0,0,0,0,0,0|1,0,3]=4 150 B8R0.1 CC=CCC(=O)NCC 240690a_100015525214_100121576822 [0,0,0,0,0,0|1,0,3]=4 151 B8R0.1 CC=CCC(=O)NCC 527a_100015525214_100121576822 [0,0,0,0,0,0|1,0,3]=4 152 B8R0.1 CC=CCC(=O)NNC 22a_100016993582_100121576822 [0,0,0,0,0,0|2,0,2]=4 153 B8R0.1 CCC#CC(=O)CCC 1458a_100011827653_100000210303 [0,0,0,0,0,0|0,0,4]=4 154 B8R0.1 CCC#CC(=O)NNC 22a_100016993582_100011827653 [0,0,0,0,0,0|2,0,2]=4 155 B8R0.1 CCC=CC(=O)CCC 1458a_100000212282_100000210303 [0,0,0,0,0,0|0,0,4]=4 156 B8R0.1 CCC=CC(=O)NCC 11a_100015525214_100000212282 [0,0,0,0,0,0|1,0,3]=4 157 B8R0.1 CCC=CC(=O)NCC 240690a_100015525214_100000212282 [0,0,0,0,0,0|1,0,3]=4 158 B8R0.1 CCC=CC(=O)NNC 22a_100016993582_100000212282 [0,0,0,0,0,0|2,0,2]=4 159 B8R0.1 CCCC(=O)CCC#N 1458a_100000211992_100011215226 [0,0,0,0,0,0|1,0,3]=4 160 B8R0.1 CCCC(=O)CCC#N 1458a_100011934036_100000210303 [0,0,0,0,0,0|1,0,3]=4 161 B8R0.1 CCCC(=O)CCCF 1458a_100000211992_100011934791 [0,0,0,0,0,0|1,0,2]=3 162 B8R0.1 CCCC(=O)CCCO 1458a_100000211992_100011215043 [0,0,0,0,0,0|1,0,2]=3 163 B8R0.1 CCCC(=O)CCOC 1458a_100000211992_100000233755 [0,0,0,0,0,0|1,0,2]=3 164 B8R0.1 CCCC(=O)CCOC 1458a_100000749529_100000210303 [0,0,0,0,0,0|1,0,2]=3 165 B8R0.1 CCCC(=O)CCSC 1458a_100000174002_100000210303 [0,0,0,0,0,0|1,0,2]=3 166 B8R0.1 CCCC(=O)CCSC 1458a_100000211992_100000751147 [0,0,0,0,0,0|1,0,2]=3 167 B8R0.1 CCCC(=O)CNCC 2230a_100015525214_100000747444 [0,0,0,0,0,0|1,0,2]=3 168 B8R0.1 CCCC(=O)COCC 1458a_100000211967_100000210303 [0,0,0,0,0,0|1,0,2]=3 169 B8R0.1 CCCC(=O)CSCC 1458a_100000230394_100000210303 [0,0,0,0,0,0|1,0,2]=3 170 B8R0.1 CCCC(=O)CSCC 62a_100000210202_100000747444 [0,0,0,0,0,0|1,0,2]=3 171 B8R0.1 CCCC(=O)CSCC 62a_100000747444_100000210202 [0,0,0,0,0,0|1,0,2]=3 172 B8R0.1 CCCC(=O)CSCF 62a_100000747444_100015361967 [0,0,0,0,0,0|2,0,2]=4 173 B8R0.1 CCCC(=O)CSCF 62a_100015361967_100000747444 [0,0,0,0,0,0|2,0,2]=4 174 B8R0.1 CCCC(=O)NCCF 11a_100000724931_100000211992 [0,0,0,0,0,0|2,0,2]=4 175 B8R0.1 CCCC(=O)NCCF 1626a_100000724931_100000211992 [0,0,0,0,0,0|2,0,2]=4 176 B8R0.1 CCCC(=O)NCCF 240690a_100000724931_100000211992 [0,0,0,0,0,0|2,0,2]=4 177 B8R0.1 CCCC(=O)NCCF 527a_100000724931_100000211992 [0,0,0,0,0,0|2,0,2]=4 178 B8R0.1 CCCC(=O)NCCO 240690a_100000210304_100000211992 [0,0,0,0,0,0|2,0,2]=4 179 B8R0.1 CCCC(=O)NCCO 527a_100000210304_100000211992 [0,0,0,0,0,0|2,0,2]=4 180 B8R0.1 CCCC(=O)NNCC 22a_100000756455_100000211992 [0,0,0,0,0,0|2,0,2]=4 181 B8R0.1 CCCC(=O)OCNC 2230a_106832991635_100000034017 [0,0,0,0,0,0|2,0,2]=4 182 B8R0.1 CCCC(=O)OCNC 34a_100102657272_100000034017 [0,0,0,0,0,0|2,0,2]=4 183 B8R0.1 CCCC(=O)OCOC 34a_100138415774_100000034017 [0,0,0,0,0,0|2,0,2]=4 184 B8R0.1 CCCC(=O)OCSC 62a_200000210301_100000034017 [0,0,0,0,0,0|2,0,2]=4 185 B8R0.1 CCCC(=O)OCS[13CH3] 62a_200025704644_100000034017 [0,0,0,0,0,0|2,0,2]=4 186 B8R0.1 CCCCC(=O)C=CBr 1458a_100016273825_100000210211 [0,0,0,0,0,0|1,0,0]=1 187 B8R0.1 CCCCC(=O)C=CCl 1458a_200016279998_100000210211 [0,0,0,0,0,0|1,0,0]=1 188 B8R0.1 CCCCC(=O)C=CI 1458a_100016256311_100000210211 [0,0,0,0,0,0|1,0,0]=1 189 B8R0.1 CCCCC(=O)CC#N 1458a_100000210183_100011214920 [0,0,0,0,0,0|1,0,2]=3 190 B8R0.1 CCCCC(=O)CC#N 1458a_100051588842_100000210211 [0,0,0,0,0,0|1,0,2]=3 191 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [0,0,0,0,0,0|0,0,2]=2 192 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [0,0,0,0,0,0|0,0,2]=2 193 B8R0.1 CCCCC(=O)CCF 1458a_100000210183_100011217306 [0,0,0,0,0,0|1,0,2]=3 194 B8R0.1 CCCCC(=O)CCO 1458a_100000210183_100000211926 [0,0,0,0,0,0|1,0,2]=3 195 B8R0.1 CCCCC(=O)CCO 1458a_100011216618_100000210211 [0,0,0,0,0,0|1,0,2]=3 196 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [0,0,0,0,0,0|1,0,1]=2 197 B8R0.1 CCCCC(=O)CSC 1458a_100000184570_100000210211 [0,0,0,0,0,0|1,0,1]=2 198 B8R0.1 CCCCC(=O)NCC 11a_100015525214_100000210183 [0,0,0,0,0,0|1,0,1]=2 199 B8R0.1 CCCCC(=O)NCC 240690a_100015525214_100000210183 [0,0,0,0,0,0|1,0,1]=2 200 B8R0.1 CCCCC(=O)NCC 527a_100015525214_100000210183 [0,0,0,0,0,0|1,0,1]=2 201 B8R0.1 CCCCC(=O)NNC 22a_100016993582_100000210183 [0,0,0,0,0,0|2,0,0]=2 202 B8R0.1 CCCCC(C)COC 34a_100011995851_200000210301 [0,0,0,0,0,0|2,0,2]=4 203 B8R0.1 CCCCC(C)COC 7a_100011995851_200000210301 [0,0,0,0,0,0|2,0,2]=4 204 B8R0.1 CCCCC(C)CO[13CH3] 34a_100011995851_200025704644 [0,0,0,0,0,0|2,0,2]=4 205 B8R0.1 CCCCC(C)CO[13CH3] 7a_100011995851_200025704644 [0,0,0,0,0,0|2,0,2]=4 206 B8R0.1 CCCCC(C)NCC 2230a_100000126638_100000210202 [0,0,0,0,0,0|2,0,2]=4 207 B8R0.1 CCCCC(C)NCC 2230a_100015525214_200011215066 [0,0,0,0,0,0|2,0,2]=4 208 B8R0.1 CCCCC(C)NCC 270004a_100015525214_100000210087 [0,0,0,0,0,0|2,0,2]=4 209 B8R0.1 CCCCC(C)OCC 34a_100000687866_100000210202 [0,0,0,0,0,0|2,0,2]=4 210 B8R0.1 CCCCC(C)OCC 34a_100121572206_200011215066 [0,0,0,0,0,0|2,0,2]=4 211 B8R0.1 CCCCC(C)OCC 7a_100000687866_100000210202 [0,0,0,0,0,0|2,0,2]=4 212 B8R0.1 CCCCC(C)SCC 62a_100000210202_200011215066 [0,0,0,0,0,0|2,0,2]=4 213 B8R0.1 CCCCC(C)SCC 62a_200011215066_100000210202 [0,0,0,0,0,0|2,0,2]=4 214 B8R0.1 CCCCN(C)CC=O 2230a_100000207549_200015260668 [0,0,0,0,0,0|3,0,1]=4 215 B8R0.1 CCCCN(C)CC=O 269982a_100000207549_200015260668 [0,0,0,0,0,0|3,0,1]=4 216 B8R0.1 CCCCN(C)CCC 2230a_100000207549_100000210303 [0,0,0,0,0,0|2,0,2]=4 217 B8R0.1 CCCCN(C)CCC 2230a_100000747261_100000210211 [0,0,0,0,0,0|2,0,2]=4 218 B8R0.1 CCCCN(C)CCC 2230a_200000207744_200000210301 [0,0,0,0,0,0|2,0,2]=4 219 B8R0.1 CCCCN(C)CCC 269982a_100000207549_100000210303 [0,0,0,0,0,0|2,0,2]=4 220 B8R0.1 CCCCN(C)CCC 269982a_100000747261_100000210211 [0,0,0,0,0,0|2,0,2]=4 221 B8R0.1 CCCCN(C)CCC 269982a_200000207744_200000210301 [0,0,0,0,0,0|2,0,2]=4 222 B8R0.1 CCCCN(C)COC 2230a_100000207549_100000766300 [0,0,0,0,0,0|3,0,1]=4 223 B8R0.1 CCCCN(C)COC 269982a_100000207549_100000766300 [0,0,0,0,0,0|3,0,1]=4 224 B8R0.1 CCCCN(C)CSC 2230a_100000207549_100011218213 [0,0,0,0,0,0|3,0,1]=4 225 B8R0.1 CCCCN(C)CSC 269982a_100000207549_100011218213 [0,0,0,0,0,0|3,0,1]=4 226 B8R0.1 CCCCN([13CH3])CCC 2230a_200000207744_200025704644 [0,0,0,0,0,0|2,0,2]=4 227 B8R0.1 CCCCN([13CH3])CCC 269982a_200000207744_200025704644 [0,0,0,0,0,0|2,0,2]=4 228 B8R0.1 CCCC[C@H](N)COC 34a_100011934283_200000210301 [0,0,0,0,0,0|2,0,2]=4 229 B8R0.1 CCCC[C@H](N)CO[13CH3] 34a_100011934283_200025704644 [0,0,0,0,0,0|2,0,2]=4 230 B8R0.1 CCCNC(=O)C=CBr 1626a_100020643023_100016273825 [0,0,0,0,0,0|2,0,0]=2 231 B8R0.1 CCCNC(=O)C=CBr 240690a_100020643023_100016273825 [0,0,0,0,0,0|2,0,0]=2 232 B8R0.1 CCCNC(=O)C=CCl 11a_100020643023_200016279998 [0,0,0,0,0,0|2,0,0]=2 233 B8R0.1 CCCNC(=O)C=CCl 1626a_100020643023_200016279998 [0,0,0,0,0,0|2,0,0]=2 234 B8R0.1 CCCNC(=O)C=CCl 240690a_100020643023_200016279998 [0,0,0,0,0,0|2,0,0]=2 235 B8R0.1 CCCNC(=O)C=CI 1626a_100020643023_100016256311 [0,0,0,0,0,0|2,0,0]=2 236 B8R0.1 CCCNC(=O)CC#N 1626a_100020643023_100051588842 [0,0,0,0,0,0|2,0,2]=4 237 B8R0.1 CCCNC(=O)CC#N 240690a_100020643023_100051588842 [0,0,0,0,0,0|2,0,2]=4 238 B8R0.1 CCCNC(=O)CCC 11a_100020643023_100000211992 [0,0,0,0,0,0|1,0,2]=3 239 B8R0.1 CCCNC(=O)CCC 1626a_100020643023_100000211992 [0,0,0,0,0,0|1,0,2]=3 240 B8R0.1 CCCNC(=O)CCC 240690a_100020643023_100000211992 [0,0,0,0,0,0|1,0,2]=3 241 B8R0.1 CCCNC(=O)CCC 527a_100020643023_100000211992 [0,0,0,0,0,0|1,0,2]=3 242 B8R0.1 CCCNC(=O)CCO 240690a_100020643023_100011216618 [0,0,0,0,0,0|2,0,2]=4 243 B8R0.1 CCCNC(=O)CNC 2230a_100000174927_200000210301 [0,0,0,0,0,0|2,0,1]=3 244 B8R0.1 CCCNC(=O)CNC 2230a_106832991635_100000183358 [0,0,0,0,0,0|2,0,1]=3 245 B8R0.1 CCCNC(=O)CNC 34a_100102657272_100000183358 [0,0,0,0,0,0|2,0,1]=3 246 B8R0.1 CCCNC(=O)CNC 7a_106832991635_100000183358 [0,0,0,0,0,0|2,0,1]=3 247 B8R0.1 CCCNC(=O)CN[13CH3] 2230a_100000174927_200025704644 [0,0,0,0,0,0|2,0,1]=3 248 B8R0.1 CCCNC(=O)COC 11a_100020643023_100000210968 [0,0,0,0,0,0|2,0,1]=3 249 B8R0.1 CCCNC(=O)COC 1626a_100020643023_100000210968 [0,0,0,0,0,0|2,0,1]=3 250 B8R0.1 CCCNC(=O)COC 240690a_100020643023_100000210968 [0,0,0,0,0,0|2,0,1]=3 251 B8R0.1 CCCNC(=O)COC 34a_100138415774_100000183358 [0,0,0,0,0,0|2,0,1]=3 252 B8R0.1 CCCNC(=O)COC 527a_100020643023_100000210968 [0,0,0,0,0,0|2,0,1]=3 253 B8R0.1 CCCNC(=O)CSC 11a_100020643023_100000184570 [0,0,0,0,0,0|2,0,1]=3 254 B8R0.1 CCCNC(=O)CSC 1626a_100020643023_100000184570 [0,0,0,0,0,0|2,0,1]=3 255 B8R0.1 CCCNC(=O)CSC 240690a_100020643023_100000184570 [0,0,0,0,0,0|2,0,1]=3 256 B8R0.1 CCCNC(=O)CSC 527a_100020643023_100000184570 [0,0,0,0,0,0|2,0,1]=3 257 B8R0.1 CCCNC(=O)CSC 62a_100000183358_200000210301 [0,0,0,0,0,0|2,0,1]=3 258 B8R0.1 CCCNC(=O)CSC 62a_200000210301_100000183358 [0,0,0,0,0,0|2,0,1]=3 259 B8R0.1 CCCNC(=O)CS[13CH3] 62a_100000183358_200025704644 [0,0,0,0,0,0|2,0,1]=3 260 B8R0.1 CCCNC(=O)CS[13CH3] 62a_200025704644_100000183358 [0,0,0,0,0,0|2,0,1]=3 261 B8R0.1 CCCNC(=O)NCC 2708a_100015525214_100020643023 [0,0,0,0,0,0|2,0,1]=3 262 B8R0.1 CCCNC(=O)NCC 2708a_100020643023_100015525214 [0,0,0,0,0,0|2,0,1]=3 263 B8R0.1 CCCNC(=O)NCC 273464a_100015525214_100020643023 [0,0,0,0,0,0|2,0,1]=3 264 B8R0.1 CCCNC(=O)NCC 273464a_100020643023_100015525214 [0,0,0,0,0,0|2,0,1]=3 265 B8R0.1 CCCNC(=O)NCC 512a_100015525214_100020643023 [0,0,0,0,0,0|2,0,1]=3 266 B8R0.1 CCCNC(=O)NCC 512a_100020643023_100015525214 [0,0,0,0,0,0|2,0,1]=3 267 B8R0.1 CCCNC(=O)NNC 273464a_100020643023_100016993582 [0,0,0,0,0,0|3,0,0]=3 268 B8R0.1 CCCNC(=O)NNC 512a_100016993582_100020643023 [0,0,0,0,0,0|3,0,0]=3 269 B8R0.1 CCCNC(=O)NNC 512a_100020643023_100016993582 [0,0,0,0,0,0|3,0,0]=3 270 B8R0.1 CCCOC(=O)CNC 2230a_106832991635_200011215008 [0,0,0,0,0,0|2,0,1]=3 271 B8R0.1 CCCOC(=O)CNC 34a_100102657272_200011215008 [0,0,0,0,0,0|2,0,1]=3 272 B8R0.1 CCCOC(=O)CNC 7a_106832991635_200011215008 [0,0,0,0,0,0|2,0,1]=3 273 B8R0.1 CCCOC(=O)COC 34a_100138415774_200011215008 [0,0,0,0,0,0|2,0,1]=3 274 B8R0.1 CCCOC(=O)CSC 62a_200000210301_200011215008 [0,0,0,0,0,0|2,0,1]=3 275 B8R0.1 CCCOC(=O)CSC 62a_200011215008_200000210301 [0,0,0,0,0,0|2,0,1]=3 276 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200011215008_200025704644 [0,0,0,0,0,0|2,0,1]=3 277 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200025704644_200011215008 [0,0,0,0,0,0|2,0,1]=3 278 B8R0.1 CCNC(=O)CCC#N 11a_100015525214_100011934036 [0,0,0,0,0,0|2,0,2]=4 279 B8R0.1 CCNC(=O)CCC#N 240690a_100015525214_100011934036 [0,0,0,0,0,0|2,0,2]=4 280 B8R0.1 CCNC(=O)CCC#N 527a_100015525214_100011934036 [0,0,0,0,0,0|2,0,2]=4 281 B8R0.1 CCNC(=O)CCNC 2230a_106832991635_100000737597 [0,0,0,0,0,0|2,0,1]=3 282 B8R0.1 CCNC(=O)CCNC 34a_100025743525_200000210301 [0,0,0,0,0,0|2,0,1]=3 283 B8R0.1 CCNC(=O)CCNC 7a_106832991635_100000737597 [0,0,0,0,0,0|2,0,1]=3 284 B8R0.1 CCNC(=O)CCN[13CH3] 34a_100025743525_200025704644 [0,0,0,0,0,0|2,0,1]=3 285 B8R0.1 CCNC(=O)CCOC 11a_100015525214_100000749529 [0,0,0,0,0,0|2,0,1]=3 286 B8R0.1 CCNC(=O)CCOC 240690a_100015525214_100000749529 [0,0,0,0,0,0|2,0,1]=3 287 B8R0.1 CCNC(=O)CCOC 527a_100015525214_100000749529 [0,0,0,0,0,0|2,0,1]=3 288 B8R0.1 CCNC(=O)CCSC 11a_100015525214_100000174002 [0,0,0,0,0,0|2,0,1]=3 289 B8R0.1 CCNC(=O)CCSC 240690a_100015525214_100000174002 [0,0,0,0,0,0|2,0,1]=3 290 B8R0.1 CCNC(=O)CCSC 527a_100015525214_100000174002 [0,0,0,0,0,0|2,0,1]=3 291 B8R0.1 CCNC(=O)CCSC 62a_100000737597_200000210301 [0,0,0,0,0,0|2,0,1]=3 292 B8R0.1 CCNC(=O)CCSC 62a_200000210301_100000737597 [0,0,0,0,0,0|2,0,1]=3 293 B8R0.1 CCNC(=O)CCS[13CH3] 62a_100000737597_200025704644 [0,0,0,0,0,0|2,0,1]=3 294 B8R0.1 CCNC(=O)CCS[13CH3] 62a_200025704644_100000737597 [0,0,0,0,0,0|2,0,1]=3 295 B8R0.1 CCNC(=O)COCC 11a_100015525214_100000211967 [0,0,0,0,0,0|2,0,1]=3 296 B8R0.1 CCNC(=O)COCC 240690a_100015525214_100000211967 [0,0,0,0,0,0|2,0,1]=3 297 B8R0.1 CCNC(=O)COCC 34a_100121572206_100000183381 [0,0,0,0,0,0|2,0,1]=3 298 B8R0.1 CCNC(=O)COCC 527a_100015525214_100000211967 [0,0,0,0,0,0|2,0,1]=3 299 B8R0.1 CCNC(=O)CSCC 11a_100015525214_100000230394 [0,0,0,0,0,0|2,0,1]=3 300 B8R0.1 CCNC(=O)CSCC 240690a_100015525214_100000230394 [0,0,0,0,0,0|2,0,1]=3 301 B8R0.1 CCNC(=O)CSCC 527a_100015525214_100000230394 [0,0,0,0,0,0|2,0,1]=3 302 B8R0.1 CCNC(=O)CSCC 62a_100000183381_100000210202 [0,0,0,0,0,0|2,0,1]=3 303 B8R0.1 CCNC(=O)CSCC 62a_100000210202_100000183381 [0,0,0,0,0,0|2,0,1]=3 304 B8R0.1 CCNC(=O)CSCF 62a_100000183381_100015361967 [0,0,0,0,0,0|3,0,1]=4 305 B8R0.1 CCNC(=O)CSCF 62a_100015361967_100000183381 [0,0,0,0,0,0|3,0,1]=4 306 B8R0.1 CCNC(=O)NCCF 2708a_100015525214_100000724931 [0,0,0,0,0,0|3,0,1]=4 307 B8R0.1 CCNC(=O)NCCF 273464a_100000724931_100015525214 [0,0,0,0,0,0|3,0,1]=4 308 B8R0.1 CCNC(=O)NCCF 273464a_100015525214_100000724931 [0,0,0,0,0,0|3,0,1]=4 309 B8R0.1 CCNC(=O)NCCF 512a_100015525214_100000724931 [0,0,0,0,0,0|3,0,1]=4 310 B8R0.1 CCNC(=O)NCCO 2708a_100015525214_100000210304 [0,0,0,0,0,0|3,0,1]=4 311 B8R0.1 CCNC(=O)NCCO 273464a_100000210304_100015525214 [0,0,0,0,0,0|3,0,1]=4 312 B8R0.1 CCNC(=O)NCCO 273464a_100015525214_100000210304 [0,0,0,0,0,0|3,0,1]=4 313 B8R0.1 CCNC(=O)NCCO 512a_100015525214_100000210304 [0,0,0,0,0,0|3,0,1]=4 314 B8R0.1 CCNCC(=O)NCC 2230a_100015525214_100000183381 [0,0,0,0,0,0|2,0,1]=3 315 B8R0.1 CCNCC(=O)NCC 2230a_100016988866_100000210202 [0,0,0,0,0,0|2,0,1]=3 316 B8R0.1 CCNCC(=O)NCO 2230a_100015525214_100000185155 [0,0,0,0,0,0|3,0,1]=4 317 B8R0.1 CCNCC(=O)OCC 2230a_100015525214_100000188475 [0,0,0,0,0,0|2,0,1]=3 318 B8R0.1 CCNNC(=O)COC 22a_100000756455_100000210968 [0,0,0,0,0,0|3,0,1]=4 319 B8R0.1 CCNNC(=O)CSC 22a_100000756455_100000184570 [0,0,0,0,0,0|3,0,1]=4 320 B8R0.1 CCNNC(=O)NCC 273464a_100015525214_100000756455 [0,0,0,0,0,0|3,0,1]=4 321 B8R0.1 CCNNC(=O)NCC 512a_100000756455_100015525214 [0,0,0,0,0,0|3,0,1]=4 322 B8R0.1 CCNNC(=O)NCC 512a_100015525214_100000756455 [0,0,0,0,0,0|3,0,1]=4 323 B8R0.1 CCNNC(=O)NNC 512a_100000756455_100016993582 [0,0,0,0,0,0|4,0,0]=4 324 B8R0.1 CCNNC(=O)NNC 512a_100016993582_100000756455 [0,0,0,0,0,0|4,0,0]=4 325 B8R0.1 CCOC(=O)CCNC 2230a_106832991635_100011206558 [0,0,0,0,0,0|2,0,1]=3 326 B8R0.1 CCOC(=O)CCNC 34a_100102657272_100000765890 [0,0,0,0,0,0|2,0,1]=3 327 B8R0.1 CCOC(=O)CCNC 7a_106832991635_100011206558 [0,0,0,0,0,0|2,0,1]=3 328 B8R0.1 CCOC(=O)CCOC 34a_100138415774_100000765890 [0,0,0,0,0,0|2,0,1]=3 329 B8R0.1 CCOC(=O)CCSC 62a_100000765890_200000210301 [0,0,0,0,0,0|2,0,1]=3 330 B8R0.1 CCOC(=O)CCSC 62a_200000210301_100000765890 [0,0,0,0,0,0|2,0,1]=3 331 B8R0.1 CCOC(=O)CCS[13CH3] 62a_100000765890_200025704644 [0,0,0,0,0,0|2,0,1]=3 332 B8R0.1 CCOC(=O)CCS[13CH3] 62a_200025704644_100000765890 [0,0,0,0,0,0|2,0,1]=3 333 B8R0.1 CCOC(=O)CSCC 62a_100000188475_100000210202 [0,0,0,0,0,0|2,0,1]=3 334 B8R0.1 CCOC(=O)CSCC 62a_100000210202_100000188475 [0,0,0,0,0,0|2,0,1]=3 335 B8R0.1 CCOC(=O)CSCF 62a_100000188475_100015361967 [0,0,0,0,0,0|3,0,1]=4 336 B8R0.1 CCOC(=O)CSCF 62a_100015361967_100000188475 [0,0,0,0,0,0|3,0,1]=4 337 B8R0.1 CCOC(=O)OCSC 62a_200000210301_100000075025 [0,0,0,0,0,0|3,0,1]=4 338 B8R0.1 CCOC(=O)OCS[13CH3] 62a_200025704644_100000075025 [0,0,0,0,0,0|3,0,1]=4 339 B8R0.1 CCOCC(=O)CC#N 1458a_100000211967_100011214920 [0,0,0,0,0,0|2,0,2]=4 340 B8R0.1 CCOCC(=O)CCF 1458a_100000211967_100011217306 [0,0,0,0,0,0|2,0,2]=4 341 B8R0.1 CCOCC(=O)CCO 1458a_100000211967_100000211926 [0,0,0,0,0,0|2,0,2]=4 342 B8R0.1 CCOCC(=O)NCO 34a_100121572206_100000185155 [0,0,0,0,0,0|3,0,1]=4 343 B8R0.1 CCOCC(=O)NNC 22a_100016993582_100000211967 [0,0,0,0,0,0|3,0,0]=3 344 B8R0.1 CCOCC(=O)OCC 34a_100121572206_100000188475 [0,0,0,0,0,0|2,0,1]=3 345 B8R0.1 CCSCC(=O)CC#N 1458a_100000230394_100011214920 [0,0,0,0,0,0|2,0,2]=4 346 B8R0.1 CCSCC(=O)CCF 1458a_100000230394_100011217306 [0,0,0,0,0,0|2,0,2]=4 347 B8R0.1 CCSCC(=O)CCO 1458a_100000230394_100000211926 [0,0,0,0,0,0|2,0,2]=4 348 B8R0.1 CCSCC(=O)NCO 62a_100000185155_100000210202 [0,0,0,0,0,0|3,0,1]=4 349 B8R0.1 CCSCC(=O)NCO 62a_100000210202_100000185155 [0,0,0,0,0,0|3,0,1]=4 350 B8R0.1 CCSCC(=O)NNC 22a_100016993582_100000230394 [0,0,0,0,0,0|3,0,0]=3 351 B8R0.1 CNCC(=O)NCCF 2230a_100000725713_200000210301 [0,0,0,0,0,0|3,0,1]=4 352 B8R0.1 CNNC(=O)CCC#N 22a_100016993582_100011934036 [0,0,0,0,0,0|3,0,1]=4 353 B8R0.1 CNNC(=O)CCOC 22a_100016993582_100000749529 [0,0,0,0,0,0|3,0,0]=3 354 B8R0.1 CNNC(=O)CCSC 22a_100016993582_100000174002 [0,0,0,0,0,0|3,0,0]=3 355 B8R0.1 CNNC(=O)NCCF 273464a_100000724931_100016993582 [0,0,0,0,0,0|4,0,0]=4 356 B8R0.1 CNNC(=O)NCCF 512a_100016993582_100000724931 [0,0,0,0,0,0|4,0,0]=4 357 B8R0.1 CNNC(=O)NCCO 273464a_100000210304_100016993582 [0,0,0,0,0,0|4,0,0]=4 358 B8R0.1 CNNC(=O)NCCO 512a_100016993582_100000210304 [0,0,0,0,0,0|4,0,0]=4 359 B8R0.1 COCC(=O)CCC#N 1458a_100000210968_100011215226 [0,0,0,0,0,0|2,0,2]=4 360 B8R0.1 COCC(=O)CCCF 1458a_100000210968_100011934791 [0,0,0,0,0,0|2,0,1]=3 361 B8R0.1 COCC(=O)CCCO 1458a_100000210968_100011215043 [0,0,0,0,0,0|2,0,1]=3 362 B8R0.1 COCC(=O)CCSC 1458a_100000210968_100000751147 [0,0,0,0,0,0|2,0,1]=3 363 B8R0.1 COCC(=O)NCCF 11a_100000724931_100000210968 [0,0,0,0,0,0|3,0,1]=4 364 B8R0.1 COCC(=O)NCCF 1626a_100000724931_100000210968 [0,0,0,0,0,0|3,0,1]=4 365 B8R0.1 COCC(=O)NCCF 240690a_100000724931_100000210968 [0,0,0,0,0,0|3,0,1]=4 366 B8R0.1 COCC(=O)NCCF 527a_100000724931_100000210968 [0,0,0,0,0,0|3,0,1]=4 367 B8R0.1 COCC(=O)NCCO 240690a_100000210304_100000210968 [0,0,0,0,0,0|3,0,1]=4 368 B8R0.1 COCC(=O)NCCO 527a_100000210304_100000210968 [0,0,0,0,0,0|3,0,1]=4 369 B8R0.1 COCCC(=O)C=CBr 1458a_100016273825_100000233755 [0,0,0,0,0,0|2,0,0]=2 370 B8R0.1 COCCC(=O)C=CCl 1458a_200016279998_100000233755 [0,0,0,0,0,0|2,0,0]=2 371 B8R0.1 COCCC(=O)C=CI 1458a_100016256311_100000233755 [0,0,0,0,0,0|2,0,0]=2 372 B8R0.1 COCCC(=O)CC#N 1458a_100000749529_100011214920 [0,0,0,0,0,0|2,0,2]=4 373 B8R0.1 COCCC(=O)CC#N 1458a_100051588842_100000233755 [0,0,0,0,0,0|2,0,2]=4 374 B8R0.1 COCCC(=O)CCF 1458a_100000749529_100011217306 [0,0,0,0,0,0|2,0,2]=4 375 B8R0.1 COCCC(=O)CCO 1458a_100000749529_100000211926 [0,0,0,0,0,0|2,0,2]=4 376 B8R0.1 COCCC(=O)CCO 1458a_100011216618_100000233755 [0,0,0,0,0,0|2,0,2]=4 377 B8R0.1 COCCC(=O)COC 1458a_100000210968_100000233755 [0,0,0,0,0,0|2,0,1]=3 378 B8R0.1 COCCC(=O)CSC 1458a_100000184570_100000233755 [0,0,0,0,0,0|2,0,1]=3 379 B8R0.1 CSCC(=O)CCC#N 1458a_100000184570_100011215226 [0,0,0,0,0,0|2,0,2]=4 380 B8R0.1 CSCC(=O)CCCF 1458a_100000184570_100011934791 [0,0,0,0,0,0|2,0,1]=3 381 B8R0.1 CSCC(=O)CCCO 1458a_100000184570_100011215043 [0,0,0,0,0,0|2,0,1]=3 382 B8R0.1 CSCC(=O)NCCF 11a_100000724931_100000184570 [0,0,0,0,0,0|3,0,1]=4 383 B8R0.1 CSCC(=O)NCCF 1626a_100000724931_100000184570 [0,0,0,0,0,0|3,0,1]=4 384 B8R0.1 CSCC(=O)NCCF 240690a_100000724931_100000184570 [0,0,0,0,0,0|3,0,1]=4 385 B8R0.1 CSCC(=O)NCCF 527a_100000724931_100000184570 [0,0,0,0,0,0|3,0,1]=4 386 B8R0.1 CSCC(=O)NCCO 240690a_100000210304_100000184570 [0,0,0,0,0,0|3,0,1]=4 387 B8R0.1 CSCC(=O)NCCO 527a_100000210304_100000184570 [0,0,0,0,0,0|3,0,1]=4 388 B8R0.1 CSCCC(=O)C=CBr 1458a_100016273825_100000751147 [0,0,0,0,0,0|2,0,0]=2 389 B8R0.1 CSCCC(=O)C=CCl 1458a_200016279998_100000751147 [0,0,0,0,0,0|2,0,0]=2 390 B8R0.1 CSCCC(=O)C=CI 1458a_100016256311_100000751147 [0,0,0,0,0,0|2,0,0]=2 391 B8R0.1 CSCCC(=O)CC#N 1458a_100000174002_100011214920 [0,0,0,0,0,0|2,0,2]=4 392 B8R0.1 CSCCC(=O)CC#N 1458a_100051588842_100000751147 [0,0,0,0,0,0|2,0,2]=4 393 B8R0.1 CSCCC(=O)CCF 1458a_100000174002_100011217306 [0,0,0,0,0,0|2,0,2]=4 394 B8R0.1 CSCCC(=O)CCO 1458a_100000174002_100000211926 [0,0,0,0,0,0|2,0,2]=4 395 B8R0.1 CSCCC(=O)CCO 1458a_100011216618_100000751147 [0,0,0,0,0,0|2,0,2]=4 396 B8R0.1 CSCCC(=O)CSC 1458a_100000184570_100000751147 [0,0,0,0,0,0|2,0,1]=3 397 B8R0.1 N#CCC(=O)CCCF 1458a_100051588842_100011934791 [0,0,0,0,0,0|2,0,2]=4 398 B8R0.1 N#CCC(=O)CCCO 1458a_100051588842_100011215043 [0,0,0,0,0,0|2,0,2]=4 399 B8R0.1 N#CCCC(=O)C=CBr 1458a_100016273825_100011215226 [0,0,0,0,0,0|2,0,1]=3 400 B8R0.1 N#CCCC(=O)C=CCl 1458a_200016279998_100011215226 [0,0,0,0,0,0|2,0,1]=3 401 B8R0.1 N#CCCC(=O)C=CI 1458a_100016256311_100011215226 [0,0,0,0,0,0|2,0,1]=3 402 B8R0.1 N#CCNC(=O)C=CBr 1626a_100000734998_100016273825 [0,0,0,0,0,0|3,0,1]=4 403 B8R0.1 N#CCNC(=O)C=CCl 1626a_100000734998_200016279998 [0,0,0,0,0,0|3,0,1]=4 404 B8R0.1 N#CCNC(=O)C=CI 1626a_100000734998_100016256311 [0,0,0,0,0,0|3,0,1]=4 405 B8R0.1 O=C(C=CBr)CCCF 1458a_100016273825_100011934791 [0,0,0,0,0,0|2,0,0]=2 406 B8R0.1 O=C(C=CBr)CCCO 1458a_100016273825_100011215043 [0,0,0,0,0,0|2,0,0]=2 407 B8R0.1 O=C(C=CBr)NCCF 1626a_100000724931_100016273825 [0,0,0,0,0,0|3,0,0]=3 408 B8R0.1 O=C(C=CBr)NCCF 240690a_100000724931_100016273825 [0,0,0,0,0,0|3,0,0]=3 409 B8R0.1 O=C(C=CBr)NCCO 240690a_100000210304_100016273825 [0,0,0,0,0,0|3,0,0]=3 410 B8R0.1 O=C(C=CCl)CCCF 1458a_200016279998_100011934791 [0,0,0,0,0,0|2,0,0]=2 411 B8R0.1 O=C(C=CCl)CCCO 1458a_200016279998_100011215043 [0,0,0,0,0,0|2,0,0]=2 412 B8R0.1 O=C(C=CCl)NCCF 11a_100000724931_200016279998 [0,0,0,0,0,0|3,0,0]=3 413 B8R0.1 O=C(C=CCl)NCCF 1626a_100000724931_200016279998 [0,0,0,0,0,0|3,0,0]=3 414 B8R0.1 O=C(C=CCl)NCCF 240690a_100000724931_200016279998 [0,0,0,0,0,0|3,0,0]=3 415 B8R0.1 O=C(C=CCl)NCCO 240690a_100000210304_200016279998 [0,0,0,0,0,0|3,0,0]=3 416 B8R0.1 O=C(C=CI)CCCF 1458a_100016256311_100011934791 [0,0,0,0,0,0|2,0,0]=2 417 B8R0.1 O=C(C=CI)CCCO 1458a_100016256311_100011215043 [0,0,0,0,0,0|2,0,0]=2 418 B8R0.1 O=C(C=CI)NCCF 1626a_100000724931_100016256311 [0,0,0,0,0,0|3,0,0]=3 419 B8R0.1 O=C(CCO)CCCF 1458a_100011216618_100011934791 [0,0,0,0,0,0|2,0,2]=4 420 B8R0.1 O=C(CCO)CCCO 1458a_100011216618_100011215043 [0,0,0,0,0,0|2,0,2]=4 421 B8R0.1 [13CH3]NCC(=O)NCCF 2230a_100000725713_200025704644 [0,0,0,0,0,0|3,0,1]=4 422 B7R0.1 C/C=C/C=C/COC 34a_100016283227_200000210301 [1,0,0,0,0,0|1,0,1]=3 423 B7R0.1 C/C=C/C=C/CO[13CH3] 34a_100016283227_200025704644 [1,0,0,0,0,0|1,0,1]=3 424 B7R0.1 C/C=C/CCOCC 34a_100016278192_100000210202 [1,0,0,0,0,0|1,0,1]=3 425 B7R0.1 C/C=C/CCOCF 34a_100016278192_100015361967 [1,0,0,0,0,0|2,0,1]=4 426 B7R0.1 C/C=C/CNCCF 34a_100000724931_100102629194 [1,0,0,0,0,0|2,0,1]=4 427 B7R0.1 C/C=C/CNCCO 34a_100016990907_100102629194 [1,0,0,0,0,0|2,0,1]=4 428 B7R0.1 C/C=C/COCCBr 34a_100000211926_100102629194 [1,0,0,0,0,0|2,0,1]=4 429 B7R0.1 C/C=C/COCCC 34a_100000210258_100102629194 [1,0,0,0,0,0|1,0,1]=3 430 B7R0.1 C/C=C/COCCC 34a_100016270725_100000210303 [1,0,0,0,0,0|1,0,1]=3 431 B7R0.1 C/C=C/COCCF 34a_100016270725_100011217306 [1,0,0,0,0,0|2,0,1]=4 432 B7R0.1 C/C=C/COCCN 34a_100000210304_100102629194 [1,0,0,0,0,0|2,0,1]=4 433 B7R0.1 C/C=C/COCCO 34a_100016270725_100000211926 [1,0,0,0,0,0|2,0,1]=4 434 B7R0.1 C/C=C/COCSC 34a_100016270725_100011218213 [1,0,0,0,0,0|2,0,1]=4 435 B7R0.1 C/C=C/CSCCC 62a_100000210303_100102629194 [1,0,0,0,0,0|1,0,1]=3 436 B7R0.1 C/C=C/CSCCC 62a_100102629194_100000210303 [1,0,0,0,0,0|1,0,1]=3 437 B7R0.1 C/C=C/CSCCF 62a_100011217306_100102629194 [1,0,0,0,0,0|2,0,1]=4 438 B7R0.1 C/C=C/CSCCF 62a_100102629194_100011217306 [1,0,0,0,0,0|2,0,1]=4 439 B7R0.1 C/C=C/CSCCO 62a_100000211926_100102629194 [1,0,0,0,0,0|2,0,1]=4 440 B7R0.1 C/C=C/CSCCO 62a_100102629194_100000211926 [1,0,0,0,0,0|2,0,1]=4 441 B7R0.1 C/C=C/CSCOC 62a_100000766300_100102629194 [1,0,0,0,0,0|2,0,1]=4 442 B7R0.1 C/C=C/CSCOC 62a_100102629194_100000766300 [1,0,0,0,0,0|2,0,1]=4 443 B7R0.1 C/C=C/CSCSC 62a_100011218213_100102629194 [1,0,0,0,0,0|2,0,1]=4 444 B7R0.1 C/C=C/CSCSC 62a_100102629194_100011218213 [1,0,0,0,0,0|2,0,1]=4 445 B7R0.1 C=CCNCCCC 2230a_100000102301_100000210623 [1,0,0,0,0,0|1,0,2]=4 446 B7R0.1 C=CCNCCCC 2230a_100020586998_100000210211 [1,0,0,0,0,0|1,0,2]=4 447 B7R0.1 C=CCNCCCC 7a_106832991798_100015514636 [1,0,0,0,0,0|1,0,2]=4 448 B7R0.1 C=CCOCCCC 34a_100000210227_100015514636 [1,0,0,0,0,0|1,0,2]=4 449 B7R0.1 C=CCOCCCC 34a_200000210373_100000210210 [1,0,0,0,0,0|1,0,2]=4 450 B7R0.1 C=CCOCCCC 7a_100000210227_100015514636 [1,0,0,0,0,0|1,0,2]=4 451 B7R0.1 C=CCSCCCC 62a_100000210211_100000210623 [1,0,0,0,0,0|1,0,2]=4 452 B7R0.1 C=CCSCCCC 62a_100000210623_100000210210 [1,0,0,0,0,0|1,0,2]=4 453 B7R0.1 CC/C=C\CCNC 2230a_106832991635_100015370543 [1,0,0,0,0,0|1,0,1]=3 454 B7R0.1 CC/C=C\CCNC 34a_100102657272_100015370543 [1,0,0,0,0,0|1,0,1]=3 455 B7R0.1 CC/C=C\CCNC 7a_106832991635_100015370543 [1,0,0,0,0,0|1,0,1]=3 456 B7R0.1 CC/C=C\CCOC 34a_100016288707_200000210301 [1,0,0,0,0,0|1,0,1]=3 457 B7R0.1 CC/C=C\CCOC 34a_100138415774_100015370543 [1,0,0,0,0,0|1,0,1]=3 458 B7R0.1 CC/C=C\CCOC 7a_100016288707_200000210301 [1,0,0,0,0,0|1,0,1]=3 459 B7R0.1 CC/C=C\CCO[13CH3] 34a_100016288707_200025704644 [1,0,0,0,0,0|1,0,1]=3 460 B7R0.1 CC/C=C\CCO[13CH3] 7a_100016288707_200025704644 [1,0,0,0,0,0|1,0,1]=3 461 B7R0.1 CC/C=C\CCSC 62a_100015370543_200000210301 [1,0,0,0,0,0|1,0,1]=3 462 B7R0.1 CC/C=C\CCSC 62a_200000210301_100015370543 [1,0,0,0,0,0|1,0,1]=3 463 B7R0.1 CC/C=C\CCS[13CH3] 62a_100015370543_200025704644 [1,0,0,0,0,0|1,0,1]=3 464 B7R0.1 CC/C=C\CCS[13CH3] 62a_200025704644_100015370543 [1,0,0,0,0,0|1,0,1]=3 465 B7R0.1 CC/C=C\CNCC 2230a_100015525214_100103147603 [1,0,0,0,0,0|1,0,1]=3 466 B7R0.1 CC/C=C\COCC 34a_100016268518_100000210202 [1,0,0,0,0,0|1,0,1]=3 467 B7R0.1 CC/C=C\COCC 34a_100121572206_100103147603 [1,0,0,0,0,0|1,0,1]=3 468 B7R0.1 CC/C=C\COCF 34a_100016268518_100015361967 [1,0,0,0,0,0|2,0,1]=4 469 B7R0.1 CC/C=C\CSCC 62a_100000210202_100103147603 [1,0,0,0,0,0|1,0,1]=3 470 B7R0.1 CC/C=C\CSCC 62a_100103147603_100000210202 [1,0,0,0,0,0|1,0,1]=3 471 B7R0.1 CC/C=C\CSCF 62a_100015361967_100103147603 [1,0,0,0,0,0|2,0,1]=4 472 B7R0.1 CC/C=C\CSCF 62a_100103147603_100015361967 [1,0,0,0,0,0|2,0,1]=4 473 B7R0.1 CC=C=CCCOC 34a_100011020354_200000210301 [1,0,0,0,0,0|1,0,1]=3 474 B7R0.1 CC=C=CCCO[13CH3] 34a_100011020354_200025704644 [1,0,0,0,0,0|1,0,1]=3 475 B7R0.1 CC=CCCCOC 34a_100020645299_200000210301 [1,0,0,0,0,0|1,0,1]=3 476 B7R0.1 CC=CCCCO[13CH3] 34a_100020645299_200025704644 [1,0,0,0,0,0|1,0,1]=3 477 B7R0.1 CC=CCNCCF 34a_100000724931_100000070051 [1,0,0,0,0,0|2,0,1]=4 478 B7R0.1 CC=CCNCCO 2230a_100016997473_100000070051 [1,0,0,0,0,0|2,0,1]=4 479 B7R0.1 CC=CCNCCO 34a_100016990907_100000070051 [1,0,0,0,0,0|2,0,1]=4 480 B7R0.1 CC=CCOCCBr 34a_100000211926_100000070051 [1,0,0,0,0,0|2,0,1]=4 481 B7R0.1 CC=CCOCCC 34a_100000210258_100000070051 [1,0,0,0,0,0|1,0,1]=3 482 B7R0.1 CC=CCOCCN 34a_100000210304_100000070051 [1,0,0,0,0,0|2,0,1]=4 483 B7R0.1 CC=CCSCCC 62a_100000070051_100000210303 [1,0,0,0,0,0|1,0,1]=3 484 B7R0.1 CC=CCSCCC 62a_100000210303_100000070051 [1,0,0,0,0,0|1,0,1]=3 485 B7R0.1 CC=CCSCCF 62a_100000070051_100011217306 [1,0,0,0,0,0|2,0,1]=4 486 B7R0.1 CC=CCSCCF 62a_100011217306_100000070051 [1,0,0,0,0,0|2,0,1]=4 487 B7R0.1 CC=CCSCCO 62a_100000070051_100000211926 [1,0,0,0,0,0|2,0,1]=4 488 B7R0.1 CC=CCSCCO 62a_100000211926_100000070051 [1,0,0,0,0,0|2,0,1]=4 489 B7R0.1 CC=CCSCOC 62a_100000070051_100000766300 [1,0,0,0,0,0|2,0,1]=4 490 B7R0.1 CC=CCSCOC 62a_100000766300_100000070051 [1,0,0,0,0,0|2,0,1]=4 491 B7R0.1 CC=CCSCSC 62a_100000070051_100011218213 [1,0,0,0,0,0|2,0,1]=4 492 B7R0.1 CC=CCSCSC 62a_100011218213_100000070051 [1,0,0,0,0,0|2,0,1]=4 493 B7R0.1 CC=NNCCCC 4a_100025702795_200000210099 [1,0,0,0,0,0|2,0,0]=3 494 B7R0.1 CCC/C=C/COC 34a_100016278788_200000210301 [1,0,0,0,0,0|1,0,2]=4 495 B7R0.1 CCC/C=C/COC 7a_100016278788_200000210301 [1,0,0,0,0,0|1,0,2]=4 496 B7R0.1 CCC/C=C/CO[13CH3] 34a_100016278788_200025704644 [1,0,0,0,0,0|1,0,2]=4 497 B7R0.1 CCC/C=C/CO[13CH3] 7a_100016278788_200025704644 [1,0,0,0,0,0|1,0,2]=4 498 B7R0.1 CCC=NNCCC 4a_100000740057_100000210100 [1,0,0,0,0,0|2,0,1]=4 499 B7R0.1 CCCCCCNC 2230a_100000210581_200000210301 [1,0,0,0,0,0|1,0,2]=4 500 B7R0.1 CCCCCCNC 2230a_106832991635_100000210314 [1,0,0,0,0,0|1,0,2]=4 501 B7R0.1 CCCCCCNC 34a_100102657272_100000210314 [1,0,0,0,0,0|1,0,2]=4 502 B7R0.1 CCCCCCNC 7a_106832991635_100000210314 [1,0,0,0,0,0|1,0,2]=4 503 B7R0.1 CCCCCCN[13CH3] 2230a_100000210581_200025704644 [1,0,0,0,0,0|1,0,2]=4 504 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [1,0,0,0,0,0|1,0,2]=4 505 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [1,0,0,0,0,0|1,0,2]=4 506 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [1,0,0,0,0,0|1,0,2]=4 507 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [1,0,0,0,0,0|1,0,2]=4 508 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [1,0,0,0,0,0|1,0,2]=4 509 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [1,0,0,0,0,0|1,0,2]=4 510 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [1,0,0,0,0,0|1,0,2]=4 511 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [1,0,0,0,0,0|1,0,2]=4 512 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [1,0,0,0,0,0|1,0,2]=4 513 B7R0.1 CCCCCNCC 2230a_100000209983_100000210202 [1,0,0,0,0,0|1,0,2]=4 514 B7R0.1 CCCCCNCC 2230a_100015525214_100000210326 [1,0,0,0,0,0|1,0,2]=4 515 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [1,0,0,0,0,0|1,0,2]=4 516 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [1,0,0,0,0,0|1,0,2]=4 517 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [1,0,0,0,0,0|1,0,2]=4 518 B7R0.1 CCCCCSCC 62a_100000210202_100000210326 [1,0,0,0,0,0|1,0,2]=4 519 B7R0.1 CCCCCSCC 62a_100000210326_100000210202 [1,0,0,0,0,0|1,0,2]=4 520 B7R0.1 CCCCNCC=O 2230a_100000102301_200015260668 [1,0,0,0,0,0|2,0,1]=4 521 B7R0.1 CCCCNCC=O 7a_106832991798_200015260668 [1,0,0,0,0,0|2,0,1]=4 522 B7R0.1 CCCCNCCC 2230a_100000102301_100000210303 [1,0,0,0,0,0|1,0,2]=4 523 B7R0.1 CCCCNCCC 7a_106832991798_100000210303 [1,0,0,0,0,0|1,0,2]=4 524 B7R0.1 CCCCNCOC 2230a_100000102301_100000766300 [1,0,0,0,0,0|2,0,1]=4 525 B7R0.1 CCCCNCSC 2230a_100000102301_100011218213 [1,0,0,0,0,0|2,0,1]=4 526 B7R0.1 CCCCOCC=O 34a_100000210227_200009817547 [1,0,0,0,0,0|2,0,1]=4 527 B7R0.1 CCCCOCC=O 7a_100000210227_200015260668 [1,0,0,0,0,0|2,0,1]=4 528 B7R0.1 CCCCOCCC 34a_100000210227_100000210303 [1,0,0,0,0,0|1,0,2]=4 529 B7R0.1 CCCCOCCC 34a_100000210258_100000210210 [1,0,0,0,0,0|1,0,2]=4 530 B7R0.1 CCCCOCCC 7a_100000210227_100000210303 [1,0,0,0,0,0|1,0,2]=4 531 B7R0.1 CCCCOCNC 2230a_106832991635_100011995733 [1,0,0,0,0,0|2,0,1]=4 532 B7R0.1 CCCCOCNC 34a_100102657272_100011995733 [1,0,0,0,0,0|2,0,1]=4 533 B7R0.1 CCCCOCOC 34a_100138415774_100011995733 [1,0,0,0,0,0|2,0,1]=4 534 B7R0.1 CCCCOCSC 34a_100000210227_100011218213 [1,0,0,0,0,0|2,0,1]=4 535 B7R0.1 CCCCOCSC 62a_100011995733_200000210301 [1,0,0,0,0,0|2,0,1]=4 536 B7R0.1 CCCCOCSC 62a_200000210301_100011995733 [1,0,0,0,0,0|2,0,1]=4 537 B7R0.1 CCCCOCS[13CH3] 62a_100011995733_200025704644 [1,0,0,0,0,0|2,0,1]=4 538 B7R0.1 CCCCOCS[13CH3] 62a_200025704644_100011995733 [1,0,0,0,0,0|2,0,1]=4 539 B7R0.1 CCCCSCC=O 62a_100000210211_200015260668 [1,0,0,0,0,0|2,0,1]=4 540 B7R0.1 CCCCSCC=O 62a_200015260668_100000210210 [1,0,0,0,0,0|2,0,1]=4 541 B7R0.1 CCCCSCCC 62a_100000210211_100000210303 [1,0,0,0,0,0|1,0,2]=4 542 B7R0.1 CCCCSCCC 62a_100000210303_100000210210 [1,0,0,0,0,0|1,0,2]=4 543 B7R0.1 CCCCSCOC 62a_100000210211_100000766300 [1,0,0,0,0,0|2,0,1]=4 544 B7R0.1 CCCCSCOC 62a_100000766300_100000210210 [1,0,0,0,0,0|2,0,1]=4 545 B7R0.1 CCCCSCSC 62a_100000210211_100011218213 [1,0,0,0,0,0|2,0,1]=4 546 B7R0.1 CCCCSCSC 62a_100011218213_100000210210 [1,0,0,0,0,0|2,0,1]=4 547 B7R0.3 C#CC(=O)CCCC 1458a_100000211873_100000210211 [1,0,0,0,0,0|0,0,2]=3 548 B7R0.3 C#CC(=O)CCCF 1458a_100000211873_100011934791 [1,0,0,0,0,0|1,0,2]=4 549 B7R0.3 C#CC(=O)CCCO 1458a_100000211873_100011215043 [1,0,0,0,0,0|1,0,2]=4 550 B7R0.3 C#CC(=O)CCOC 1458a_100000211873_100000233755 [1,0,0,0,0,0|1,0,2]=4 551 B7R0.3 C#CC(=O)CCSC 1458a_100000211873_100000751147 [1,0,0,0,0,0|1,0,2]=4 552 B7R0.3 C#CCCC(=O)C=C 1458a_100000185746_100000753159 [1,0,0,0,0,0|0,0,2]=3 553 B7R0.3 C#CCCC(=O)CC 1458a_100000210414_100000753159 [1,0,0,0,0,0|0,0,3]=4 554 B7R0.3 C#CCCC(=O)CC 1458a_100000692101_100000210202 [1,0,0,0,0,0|0,0,3]=4 555 B7R0.3 C#CCCC(=O)NC 11a_106832991635_100000692101 [1,0,0,0,0,0|1,0,2]=4 556 B7R0.3 C#CCCC(=O)NC 1626a_100102657272_100000692101 [1,0,0,0,0,0|1,0,2]=4 557 B7R0.3 C#CCCC(=O)NC 240690a_100102657272_100000692101 [1,0,0,0,0,0|1,0,2]=4 558 B7R0.3 C#CCCC(=O)NC 527a_100102657272_100000692101 [1,0,0,0,0,0|1,0,2]=4 559 B7R0.3 C#CCNC(=O)C=C 1626a_100000212058_100000185746 [1,0,0,0,0,0|1,0,2]=4 560 B7R0.3 C#CCNC(=O)C=C 240690a_100000212058_200121576911 [1,0,0,0,0,0|1,0,2]=4 561 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [1,0,0,0,0,0|0,0,3]=4 562 B7R0.3 C=CC(=NNCC)C 4a_100000756455_200015361842 [1,0,0,0,0,0|3,0,0]=4 563 B7R0.3 C=CC(=O)C/C=C/C 1458a_100000185746_100102629194 [1,0,0,0,0,0|0,0,2]=3 564 B7R0.3 C=CC(=O)CC#CC 1458a_100000185746_100000748600 [1,0,0,0,0,0|0,0,2]=3 565 B7R0.3 C=CC(=O)CC=CC 1458a_100000185746_100000070051 [1,0,0,0,0,0|0,0,2]=3 566 B7R0.3 C=CC(=O)CCC#N 1458a_100000185746_100011215226 [1,0,0,0,0,0|1,0,1]=3 567 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [1,0,0,0,0,0|0,0,0]=1 568 B7R0.3 C=CC(=O)CCCF 1458a_100000185746_100011934791 [1,0,0,0,0,0|1,0,0]=2 569 B7R0.3 C=CC(=O)CCCO 1458a_100000185746_100011215043 [1,0,0,0,0,0|1,0,0]=2 570 B7R0.3 C=CC(=O)CCOC 1458a_100000185746_100000233755 [1,0,0,0,0,0|1,0,0]=2 571 B7R0.3 C=CC(=O)CCSC 1458a_100000185746_100000751147 [1,0,0,0,0,0|1,0,0]=2 572 B7R0.3 C=CC(=O)NCC#N 1626a_100000734998_100000185746 [1,0,0,0,0,0|2,0,1]=4 573 B7R0.3 C=CC(=O)NCCC 1626a_100020643023_100000185746 [1,0,0,0,0,0|1,0,0]=2 574 B7R0.3 C=CC(=O)NCCC 240690a_100020643023_200121576911 [1,0,0,0,0,0|1,0,0]=2 575 B7R0.3 C=CC(=O)NCCF 1626a_100000724931_100000185746 [1,0,0,0,0,0|2,0,0]=3 576 B7R0.3 C=CC(=O)NCCF 240690a_100000724931_200121576911 [1,0,0,0,0,0|2,0,0]=3 577 B7R0.3 C=CC(=O)NCCO 240690a_100000210304_200121576911 [1,0,0,0,0,0|2,0,0]=3 578 B7R0.3 C=CC(=O)NNCC 22a_100000756455_100000185746 [1,0,0,0,0,0|2,0,0]=3 579 B7R0.3 C=CC(C)COCC 34a_100011215527_100000210202 [1,0,0,0,0,0|2,0,1]=4 580 B7R0.3 C=CC(C)COCC 7a_100011215527_100000210202 [1,0,0,0,0,0|2,0,1]=4 581 B7R0.3 C=CC(C)OCCC 34a_100000695699_100000210303 [1,0,0,0,0,0|2,0,1]=4 582 B7R0.3 C=CC(C)SCCC 62a_100011215867_100000210303 [1,0,0,0,0,0|2,0,1]=4 583 B7R0.3 C=CC(O)CNCC 2230a_100015525214_100000730141 [1,0,0,0,0,0|1,0,2]=4 584 B7R0.3 C=CC(O)COCC 34a_100121572206_100000730141 [1,0,0,0,0,0|1,0,2]=4 585 B7R0.3 C=CC(O)CSCC 62a_100000210202_100000730141 [1,0,0,0,0,0|1,0,2]=4 586 B7R0.3 C=CC(O)CSCC 62a_100000730141_100000210202 [1,0,0,0,0,0|1,0,2]=4 587 B7R0.3 C=CCCC(=O)C=C 1458a_100000185746_100000754431 [1,0,0,0,0,0|0,0,2]=3 588 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [1,0,0,0,0,0|0,0,3]=4 589 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [1,0,0,0,0,0|0,0,3]=4 590 B7R0.3 C=CCCC(=O)NC 11a_106832991635_100000749702 [1,0,0,0,0,0|1,0,2]=4 591 B7R0.3 C=CCCC(=O)NC 1626a_100102657272_100000749702 [1,0,0,0,0,0|1,0,2]=4 592 B7R0.3 C=CCCC(=O)NC 240690a_100102657272_100000749702 [1,0,0,0,0,0|1,0,2]=4 593 B7R0.3 C=CCCC(=O)NC 527a_100102657272_100000749702 [1,0,0,0,0,0|1,0,2]=4 594 B7R0.3 C=CCNC(=O)C=C 1626a_100020586998_100000185746 [1,0,0,0,0,0|1,0,2]=4 595 B7R0.3 C=CCNC(=O)C=C 240690a_100020586998_200121576911 [1,0,0,0,0,0|1,0,2]=4 596 B7R0.3 C=C[C@H](N)COCC 34a_100016989147_100000210202 [1,0,0,0,0,0|2,0,1]=4 597 B7R0.3 CC#CCC(=O)CC 1458a_100000210414_100000748600 [1,0,0,0,0,0|0,0,3]=4 598 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [1,0,0,0,0,0|0,0,3]=4 599 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [1,0,0,0,0,0|0,0,3]=4 600 B7R0.3 CC=CCC(=O)NC 11a_106832991635_100121576822 [1,0,0,0,0,0|1,0,2]=4 601 B7R0.3 CC=CCC(=O)NC 1626a_100102657272_100121576822 [1,0,0,0,0,0|1,0,2]=4 602 B7R0.3 CC=CCC(=O)NC 240690a_100102657272_100121576822 [1,0,0,0,0,0|1,0,2]=4 603 B7R0.3 CC=CCC(=O)NC 527a_100102657272_100121576822 [1,0,0,0,0,0|1,0,2]=4 604 B7R0.3 CCC#CC(=O)CC 1458a_100011827653_100000210202 [1,0,0,0,0,0|0,0,3]=4 605 B7R0.3 CCC(=O)CCC#N 1458a_100000210414_100011215226 [1,0,0,0,0,0|1,0,2]=4 606 B7R0.3 CCC(=O)CCC#N 1458a_100011934036_100000210202 [1,0,0,0,0,0|1,0,2]=4 607 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [1,0,0,0,0,0|1,0,1]=3 608 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [1,0,0,0,0,0|1,0,1]=3 609 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [1,0,0,0,0,0|1,0,1]=3 610 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [1,0,0,0,0,0|1,0,1]=3 611 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [1,0,0,0,0,0|1,0,1]=3 612 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [1,0,0,0,0,0|1,0,1]=3 613 B7R0.3 CCC(=O)COCF 34a_100000725409_100015361967 [1,0,0,0,0,0|2,0,1]=4 614 B7R0.3 CCC(=O)CSCF 62a_100000747405_100015361967 [1,0,0,0,0,0|2,0,1]=4 615 B7R0.3 CCC(=O)CSCF 62a_100015361967_100000747405 [1,0,0,0,0,0|2,0,1]=4 616 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [1,0,0,0,0,0|2,0,1]=4 617 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [1,0,0,0,0,0|2,0,1]=4 618 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [1,0,0,0,0,0|2,0,1]=4 619 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [1,0,0,0,0,0|2,0,1]=4 620 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [1,0,0,0,0,0|2,0,1]=4 621 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [1,0,0,0,0,0|2,0,1]=4 622 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [1,0,0,0,0,0|0,0,3]=4 623 B7R0.3 CCC=CC(=O)NC 11a_106832991635_100000212282 [1,0,0,0,0,0|1,0,2]=4 624 B7R0.3 CCC=CC(=O)NC 1626a_100102657272_100000212282 [1,0,0,0,0,0|1,0,2]=4 625 B7R0.3 CCC=CC(=O)NC 240690a_100102657272_100000212282 [1,0,0,0,0,0|1,0,2]=4 626 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [1,0,0,0,0,0|0,0,1]=2 627 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [1,0,0,0,0,0|0,0,1]=2 628 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [1,0,0,0,0,0|1,0,1]=3 629 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [1,0,0,0,0,0|1,0,1]=3 630 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [1,0,0,0,0,0|1,0,0]=2 631 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [1,0,0,0,0,0|1,0,0]=2 632 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [1,0,0,0,0,0|1,0,0]=2 633 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [1,0,0,0,0,0|1,0,0]=2 634 B7R0.3 CCCCC(C)NC 2230a_100000126638_200000210301 [1,0,0,0,0,0|2,0,1]=4 635 B7R0.3 CCCCC(C)NC 2230a_106832991635_200011215066 [1,0,0,0,0,0|2,0,1]=4 636 B7R0.3 CCCCC(C)NC 270004a_106832991635_100000210087 [1,0,0,0,0,0|2,0,1]=4 637 B7R0.3 CCCCC(C)NC 34a_100102657272_200011215066 [1,0,0,0,0,0|2,0,1]=4 638 B7R0.3 CCCCC(C)NC 7a_106832991635_200011215066 [1,0,0,0,0,0|2,0,1]=4 639 B7R0.3 CCCCC(C)N[13CH3] 2230a_100000126638_200025704644 [1,0,0,0,0,0|2,0,1]=4 640 B7R0.3 CCCCC(C)OC 34a_100000687866_200000210301 [1,0,0,0,0,0|2,0,1]=4 641 B7R0.3 CCCCC(C)OC 34a_100138415774_200011215066 [1,0,0,0,0,0|2,0,1]=4 642 B7R0.3 CCCCC(C)OC 7a_100000687866_200000210301 [1,0,0,0,0,0|2,0,1]=4 643 B7R0.3 CCCCC(C)O[13CH3] 34a_100000687866_200025704644 [1,0,0,0,0,0|2,0,1]=4 644 B7R0.3 CCCCC(C)O[13CH3] 7a_100000687866_200025704644 [1,0,0,0,0,0|2,0,1]=4 645 B7R0.3 CCCCC(C)SC 62a_200000210301_200011215066 [1,0,0,0,0,0|2,0,1]=4 646 B7R0.3 CCCCC(C)SC 62a_200011215066_200000210301 [1,0,0,0,0,0|2,0,1]=4 647 B7R0.3 CCCCC(C)S[13CH3] 62a_200011215066_200025704644 [1,0,0,0,0,0|2,0,1]=4 648 B7R0.3 CCCCC(C)S[13CH3] 62a_200025704644_200011215066 [1,0,0,0,0,0|2,0,1]=4 649 B7R0.3 CCCCN(C)CC 2230a_100000207549_100000210202 [1,0,0,0,0,0|2,0,1]=4 650 B7R0.3 CCCCN(C)CC 2230a_100000207695_200000210301 [1,0,0,0,0,0|2,0,1]=4 651 B7R0.3 CCCCN(C)CC 2230a_100000225621_100000210211 [1,0,0,0,0,0|2,0,1]=4 652 B7R0.3 CCCCN(C)CC 269982a_100000207549_100000204670 [1,0,0,0,0,0|2,0,1]=4 653 B7R0.3 CCCCN(C)CC 269982a_100000207695_200000210301 [1,0,0,0,0,0|2,0,1]=4 654 B7R0.3 CCCCN(C)CC 269982a_100000225621_100000210211 [1,0,0,0,0,0|2,0,1]=4 655 B7R0.3 CCCCN([13CH3])CC 2230a_100000207695_200025704644 [1,0,0,0,0,0|2,0,1]=4 656 B7R0.3 CCCCN([13CH3])CC 269982a_100000207695_200025704644 [1,0,0,0,0,0|2,0,1]=4 657 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [1,0,0,0,0,0|1,0,1]=3 658 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [1,0,0,0,0,0|1,0,1]=3 659 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [1,0,0,0,0,0|1,0,1]=3 660 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [1,0,0,0,0,0|1,0,1]=3 661 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [1,0,0,0,0,0|2,0,1]=4 662 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [1,0,0,0,0,0|2,0,1]=4 663 B7R0.3 CCCNC(=O)NC 2708a_100020643023_106832991635 [1,0,0,0,0,0|2,0,0]=3 664 B7R0.3 CCCNC(=O)NC 2708a_100102657272_100020643023 [1,0,0,0,0,0|2,0,0]=3 665 B7R0.3 CCCNC(=O)NC 273464a_100020643023_100102657272 [1,0,0,0,0,0|2,0,0]=3 666 B7R0.3 CCCNC(=O)NC 273464a_100102657272_100020643023 [1,0,0,0,0,0|2,0,0]=3 667 B7R0.3 CCCNC(=O)NC 512a_100020643023_100102657272 [1,0,0,0,0,0|2,0,0]=3 668 B7R0.3 CCCNC(=O)NC 512a_106832991638_100020643023 [1,0,0,0,0,0|2,0,0]=3 669 B7R0.3 CCNCC(=O)NC 2230a_100000693194_100000210202 [1,0,0,0,0,0|2,0,0]=3 670 B7R0.3 CCNCC(=O)NC 2230a_100015525214_100000183359 [1,0,0,0,0,0|2,0,0]=3 671 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [1,0,0,0,0,0|2,0,0]=3 672 B7R0.3 CCNNC(=O)CC 22a_100000756455_100000210414 [1,0,0,0,0,0|2,0,1]=4 673 B7R0.3 CCNNC(=O)NC 273464a_100102657272_100000756455 [1,0,0,0,0,0|3,0,0]=4 674 B7R0.3 CCNNC(=O)NC 512a_100000756455_100102657272 [1,0,0,0,0,0|3,0,0]=4 675 B7R0.3 CCNNC(=O)NC 512a_106832991638_100000756455 [1,0,0,0,0,0|3,0,0]=4 676 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [1,0,0,0,0,0|1,0,1]=3 677 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [1,0,0,0,0,0|1,0,1]=3 678 B7R0.3 CCOCC(=O)CF 1458a_100000211967_100015361967 [1,0,0,0,0,0|2,0,1]=4 679 B7R0.3 CCOCC(=O)NC 11a_106832991635_100000211967 [1,0,0,0,0,0|2,0,0]=3 680 B7R0.3 CCOCC(=O)NC 1626a_100102657272_100000211967 [1,0,0,0,0,0|2,0,0]=3 681 B7R0.3 CCOCC(=O)NC 240690a_100102657272_100000211967 [1,0,0,0,0,0|2,0,0]=3 682 B7R0.3 CCOCC(=O)NC 34a_100000750040_100000210202 [1,0,0,0,0,0|2,0,0]=3 683 B7R0.3 CCOCC(=O)NC 34a_100121572206_100000183359 [1,0,0,0,0,0|2,0,0]=3 684 B7R0.3 CCOCC(=O)NC 527a_100102657272_100000211967 [1,0,0,0,0,0|2,0,0]=3 685 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [1,0,0,0,0,0|2,0,0]=3 686 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [1,0,0,0,0,0|1,0,1]=3 687 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [1,0,0,0,0,0|1,0,1]=3 688 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [1,0,0,0,0,0|1,0,1]=3 689 B7R0.3 CCSCC(=O)CF 1458a_100000230394_100015361967 [1,0,0,0,0,0|2,0,1]=4 690 B7R0.3 CCSCC(=O)NC 11a_106832991635_100000230394 [1,0,0,0,0,0|2,0,0]=3 691 B7R0.3 CCSCC(=O)NC 1626a_100102657272_100000230394 [1,0,0,0,0,0|2,0,0]=3 692 B7R0.3 CCSCC(=O)NC 240690a_100102657272_100000230394 [1,0,0,0,0,0|2,0,0]=3 693 B7R0.3 CCSCC(=O)NC 527a_100102657272_100000230394 [1,0,0,0,0,0|2,0,0]=3 694 B7R0.3 CCSCC(=O)NC 62a_100000183359_100000210202 [1,0,0,0,0,0|2,0,0]=3 695 B7R0.3 CCSCC(=O)NC 62a_100000210202_100000183359 [1,0,0,0,0,0|2,0,0]=3 696 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [1,0,0,0,0,0|2,0,0]=3 697 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [1,0,0,0,0,0|2,0,0]=3 698 B7R0.3 CNC(=O)CCC#N 11a_106832991635_100011934036 [1,0,0,0,0,0|2,0,1]=4 699 B7R0.3 CNC(=O)CCC#N 1626a_100102657272_100011934036 [1,0,0,0,0,0|2,0,1]=4 700 B7R0.3 CNC(=O)CCC#N 240690a_100102657272_100011934036 [1,0,0,0,0,0|2,0,1]=4 701 B7R0.3 CNC(=O)CCC#N 527a_100102657272_100011934036 [1,0,0,0,0,0|2,0,1]=4 702 B7R0.3 CNC(=O)CCN[13CH3] 2230a_100000738227_200025704644 [1,0,0,0,0,0|2,0,0]=3 703 B7R0.3 CNC(=O)CCN[13CH3] 34a_100000738227_200025704644 [1,0,0,0,0,0|2,0,0]=3 704 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [1,0,0,0,0,0|2,0,0]=3 705 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [1,0,0,0,0,0|2,0,0]=3 706 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [1,0,0,0,0,0|2,0,0]=3 707 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [1,0,0,0,0,0|2,0,0]=3 708 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [1,0,0,0,0,0|2,0,0]=3 709 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [1,0,0,0,0,0|2,0,0]=3 710 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [1,0,0,0,0,0|2,0,0]=3 711 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [1,0,0,0,0,0|2,0,0]=3 712 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [1,0,0,0,0,0|2,0,0]=3 713 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [1,0,0,0,0,0|2,0,0]=3 714 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [1,0,0,0,0,0|2,0,0]=3 715 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [1,0,0,0,0,0|2,0,0]=3 716 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [1,0,0,0,0,0|2,0,0]=3 717 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [1,0,0,0,0,0|2,0,0]=3 718 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [1,0,0,0,0,0|2,0,0]=3 719 B7R0.3 CNC(=O)COCF 34a_100000750040_100015361967 [1,0,0,0,0,0|3,0,0]=4 720 B7R0.3 CNC(=O)CSCF 62a_100000183359_100015361967 [1,0,0,0,0,0|3,0,0]=4 721 B7R0.3 CNC(=O)CSCF 62a_100015361967_100000183359 [1,0,0,0,0,0|3,0,0]=4 722 B7R0.3 CNC(=O)NCCF 2708a_100102657272_100000724931 [1,0,0,0,0,0|3,0,0]=4 723 B7R0.3 CNC(=O)NCCF 273464a_100000724931_100102657272 [1,0,0,0,0,0|3,0,0]=4 724 B7R0.3 CNC(=O)NCCF 273464a_100102657272_100000724931 [1,0,0,0,0,0|3,0,0]=4 725 B7R0.3 CNC(=O)NCCF 512a_106832991638_100000724931 [1,0,0,0,0,0|3,0,0]=4 726 B7R0.3 CNC(=O)NCCO 2708a_100102657272_100000210304 [1,0,0,0,0,0|3,0,0]=4 727 B7R0.3 CNC(=O)NCCO 273464a_100000210304_100102657272 [1,0,0,0,0,0|3,0,0]=4 728 B7R0.3 CNC(=O)NCCO 273464a_100102657272_100000210304 [1,0,0,0,0,0|3,0,0]=4 729 B7R0.3 CNC(=O)NCCO 512a_106832991638_100000210304 [1,0,0,0,0,0|3,0,0]=4 730 B7R0.3 CNCCC(=O)NC 2230a_100000738227_200000210301 [1,0,0,0,0,0|2,0,0]=3 731 B7R0.3 CNCCC(=O)NC 2230a_106832991635_100000737683 [1,0,0,0,0,0|2,0,0]=3 732 B7R0.3 CNCCC(=O)NC 34a_100000738227_200000210301 [1,0,0,0,0,0|2,0,0]=3 733 B7R0.3 CNCCC(=O)NC 34a_100102657272_100012179268 [1,0,0,0,0,0|2,0,0]=3 734 B7R0.3 CNCCC(=O)NC 7a_106832991635_100000737683 [1,0,0,0,0,0|2,0,0]=3 735 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [1,0,0,0,0,0|2,0,0]=3 736 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [1,0,0,0,0,0|2,0,0]=3 737 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [1,0,0,0,0,0|2,0,0]=3 738 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [1,0,0,0,0,0|2,0,0]=3 739 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [1,0,0,0,0,0|2,0,0]=3 740 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [1,0,0,0,0,0|2,0,0]=3 741 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [1,0,0,0,0,0|2,0,0]=3 742 B7R0.3 COC(=O)CSCF 62a_100000747449_100015361967 [1,0,0,0,0,0|3,0,0]=4 743 B7R0.3 COC(=O)CSCF 62a_100015361967_100000747449 [1,0,0,0,0,0|3,0,0]=4 744 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [1,0,0,0,0,0|3,0,0]=4 745 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [1,0,0,0,0,0|3,0,0]=4 746 B7R0.3 COCCC(=O)CF 1458a_100000749529_100015361967 [1,0,0,0,0,0|2,0,1]=4 747 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [1,0,0,0,0,0|2,0,1]=4 748 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [1,0,0,0,0,0|2,0,0]=3 749 B7R0.3 CSCCC(=O)CF 1458a_100000174002_100015361967 [1,0,0,0,0,0|2,0,1]=4 750 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [1,0,0,0,0,0|2,0,1]=4 751 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [1,0,0,0,0,0|2,0,1]=4 752 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [1,0,0,0,0,0|2,0,1]=4 753 B7R0.7 C#CCC(=O)C=CBr 1458a_100016273825_100000184674 [1,0,0,0,0,0|1,0,2]=4 754 B7R0.7 C#CCC(=O)C=CC 1458a_100000210699_100000184674 [1,0,0,0,0,0|0,0,2]=3 755 B7R0.7 C#CCC(=O)C=CCl 1458a_200016279998_100000184674 [1,0,0,0,0,0|1,0,2]=4 756 B7R0.7 C#CCC(=O)C=CI 1458a_100016256311_100000184674 [1,0,0,0,0,0|1,0,2]=4 757 B7R0.7 C#CCC(=O)CCC 1458a_100000211992_100000184674 [1,0,0,0,0,0|0,0,3]=4 758 B7R0.7 C#CCC(=O)CCC 1458a_100011220946_100000210303 [1,0,0,0,0,0|0,0,3]=4 759 B7R0.7 C/C=C/C(C)OCC 34a_200102604097_100000210202 [1,0,0,0,0,0|2,0,1]=4 760 B7R0.7 C=CCC(=O)C=CBr 1458a_100016273825_100000210623 [1,0,0,0,0,0|1,0,2]=4 761 B7R0.7 C=CCC(=O)C=CC 1458a_100000210699_100000210623 [1,0,0,0,0,0|0,0,2]=3 762 B7R0.7 C=CCC(=O)C=CCl 1458a_200016279998_100000210623 [1,0,0,0,0,0|1,0,2]=4 763 B7R0.7 C=CCC(=O)C=CI 1458a_100016256311_100000210623 [1,0,0,0,0,0|1,0,2]=4 764 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [1,0,0,0,0,0|0,0,2]=3 765 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [1,0,0,0,0,0|0,0,2]=3 766 B7R0.7 C=CCC(=O)CCF 1458a_100000210193_100011217306 [1,0,0,0,0,0|1,0,2]=4 767 B7R0.7 C=CCC(=O)CCO 1458a_100000210193_100000211926 [1,0,0,0,0,0|1,0,2]=4 768 B7R0.7 C=CCC(=O)CCO 1458a_100011216618_100000210623 [1,0,0,0,0,0|1,0,2]=4 769 B7R0.7 C=CCC(=O)COC 1458a_100000210968_100000210623 [1,0,0,0,0,0|1,0,2]=4 770 B7R0.7 C=CCC(=O)CSC 1458a_100000184570_100000210623 [1,0,0,0,0,0|1,0,2]=4 771 B7R0.7 C=CCC(=O)NCC 11a_100015525214_100000210193 [1,0,0,0,0,0|1,0,2]=4 772 B7R0.7 C=CCC(=O)NCC 240690a_100015525214_100000210193 [1,0,0,0,0,0|1,0,2]=4 773 B7R0.7 C=CCC(=O)NCC 527a_100015525214_100000210193 [1,0,0,0,0,0|1,0,2]=4 774 B7R0.7 C=COC(=O)CNC 2230a_106832991635_100000036128 [1,0,0,0,0,0|2,0,1]=4 775 B7R0.7 C=COC(=O)CNC 34a_100102657272_100000036128 [1,0,0,0,0,0|2,0,1]=4 776 B7R0.7 C=COC(=O)COC 34a_100138415774_100000036128 [1,0,0,0,0,0|2,0,1]=4 777 B7R0.7 C=COC(=O)CSC 62a_100000036128_200000210301 [1,0,0,0,0,0|2,0,1]=4 778 B7R0.7 C=COC(=O)CSC 62a_200000210301_100000036128 [1,0,0,0,0,0|2,0,1]=4 779 B7R0.7 C=COC(=O)CS[13CH3] 62a_100000036128_200025704644 [1,0,0,0,0,0|2,0,1]=4 780 B7R0.7 C=COC(=O)CS[13CH3] 62a_200025704644_100000036128 [1,0,0,0,0,0|2,0,1]=4 781 B7R0.7 CC#CC(=O)CCC 1458a_100000763181_100000210303 [1,0,0,0,0,0|0,0,2]=3 782 B7R0.7 CC#CC(=O)CCF 1458a_100000763181_100011217306 [1,0,0,0,0,0|1,0,2]=4 783 B7R0.7 CC#CC(=O)CCO 1458a_100000763181_100000211926 [1,0,0,0,0,0|1,0,2]=4 784 B7R0.7 CC=CC(=O)CC#N 1458a_100000210699_100011214920 [1,0,0,0,0,0|1,0,1]=3 785 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [1,0,0,0,0,0|0,0,0]=1 786 B7R0.7 CC=CC(=O)CCF 1458a_100000210699_100011217306 [1,0,0,0,0,0|1,0,0]=2 787 B7R0.7 CC=CC(=O)CCO 1458a_100000210699_100000211926 [1,0,0,0,0,0|1,0,0]=2 788 B7R0.7 CC=CC(=O)NCC 11a_100015525214_100000210699 [1,0,0,0,0,0|1,0,0]=2 789 B7R0.7 CC=CC(=O)NCC 240690a_100015525214_100000210699 [1,0,0,0,0,0|1,0,0]=2 790 B7R0.7 CC=CC(=O)NNC 22a_100016993582_100000210699 [1,0,0,0,0,0|2,0,0]=3 791 B7R0.7 CCCC(=O)C=CBr 1458a_100016273825_100000210303 [1,0,0,0,0,0|1,0,0]=2 792 B7R0.7 CCCC(=O)C=CCl 1458a_200016279998_100000210303 [1,0,0,0,0,0|1,0,0]=2 793 B7R0.7 CCCC(=O)C=CI 1458a_100016256311_100000210303 [1,0,0,0,0,0|1,0,0]=2 794 B7R0.7 CCCC(=O)CC#N 1458a_100000211992_100011214920 [1,0,0,0,0,0|1,0,2]=4 795 B7R0.7 CCCC(=O)CC#N 1458a_100051588842_100000210303 [1,0,0,0,0,0|1,0,2]=4 796 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [1,0,0,0,0,0|0,0,2]=3 797 B7R0.7 CCCC(=O)CCF 1458a_100000211992_100011217306 [1,0,0,0,0,0|1,0,2]=4 798 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [1,0,0,0,0,0|1,0,2]=4 799 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [1,0,0,0,0,0|1,0,2]=4 800 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [1,0,0,0,0,0|1,0,1]=3 801 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [1,0,0,0,0,0|1,0,1]=3 802 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [1,0,0,0,0,0|1,0,1]=3 803 B7R0.7 CCCC(=O)CSC 1458a_100000184570_100000210303 [1,0,0,0,0,0|1,0,1]=3 804 B7R0.7 CCCC(=O)CSC 62a_100000747444_200000210301 [1,0,0,0,0,0|1,0,1]=3 805 B7R0.7 CCCC(=O)CSC 62a_200000210301_100000747444 [1,0,0,0,0,0|1,0,1]=3 806 B7R0.7 CCCC(=O)CS[13CH3] 62a_100000747444_200025704644 [1,0,0,0,0,0|1,0,1]=3 807 B7R0.7 CCCC(=O)CS[13CH3] 62a_200025704644_100000747444 [1,0,0,0,0,0|1,0,1]=3 808 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [1,0,0,0,0,0|1,0,1]=3 809 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [1,0,0,0,0,0|1,0,1]=3 810 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [1,0,0,0,0,0|1,0,1]=3 811 B7R0.7 CCCC(=O)NNC 22a_100016993582_100000211992 [1,0,0,0,0,0|2,0,0]=3 812 B7R0.7 CCNC(=O)C=CBr 240690a_100015525214_100016273825 [1,0,0,0,0,0|2,0,0]=3 813 B7R0.7 CCNC(=O)C=CCl 11a_100015525214_200016279998 [1,0,0,0,0,0|2,0,0]=3 814 B7R0.7 CCNC(=O)C=CCl 240690a_100015525214_200016279998 [1,0,0,0,0,0|2,0,0]=3 815 B7R0.7 CCNC(=O)CCO 240690a_100015525214_100011216618 [1,0,0,0,0,0|2,0,1]=4 816 B7R0.7 CCNC(=O)CNC 2230a_100016988866_200000210301 [1,0,0,0,0,0|2,0,1]=4 817 B7R0.7 CCNC(=O)CNC 2230a_106832991635_100000183381 [1,0,0,0,0,0|2,0,1]=4 818 B7R0.7 CCNC(=O)CNC 34a_100102657272_100000183381 [1,0,0,0,0,0|2,0,1]=4 819 B7R0.7 CCNC(=O)CNC 7a_106832991635_100000183381 [1,0,0,0,0,0|2,0,1]=4 820 B7R0.7 CCNC(=O)CN[13CH3] 2230a_100016988866_200025704644 [1,0,0,0,0,0|2,0,1]=4 821 B7R0.7 CCNC(=O)COC 11a_100015525214_100000210968 [1,0,0,0,0,0|2,0,1]=4 822 B7R0.7 CCNC(=O)COC 240690a_100015525214_100000210968 [1,0,0,0,0,0|2,0,1]=4 823 B7R0.7 CCNC(=O)COC 34a_100138415774_100000183381 [1,0,0,0,0,0|2,0,1]=4 824 B7R0.7 CCNC(=O)COC 527a_100015525214_100000210968 [1,0,0,0,0,0|2,0,1]=4 825 B7R0.7 CCNC(=O)CSC 11a_100015525214_100000184570 [1,0,0,0,0,0|2,0,1]=4 826 B7R0.7 CCNC(=O)CSC 240690a_100015525214_100000184570 [1,0,0,0,0,0|2,0,1]=4 827 B7R0.7 CCNC(=O)CSC 527a_100015525214_100000184570 [1,0,0,0,0,0|2,0,1]=4 828 B7R0.7 CCNC(=O)CSC 62a_100000183381_200000210301 [1,0,0,0,0,0|2,0,1]=4 829 B7R0.7 CCNC(=O)CSC 62a_200000210301_100000183381 [1,0,0,0,0,0|2,0,1]=4 830 B7R0.7 CCNC(=O)CS[13CH3] 62a_100000183381_200025704644 [1,0,0,0,0,0|2,0,1]=4 831 B7R0.7 CCNC(=O)CS[13CH3] 62a_200025704644_100000183381 [1,0,0,0,0,0|2,0,1]=4 832 B7R0.7 CCNC(=O)NCC 2708a_100015525214_100015525214 [1,0,0,0,0,0|2,0,1]=4 833 B7R0.7 CCNC(=O)NCC 273464a_100015525214_100015525214 [1,0,0,0,0,0|2,0,1]=4 834 B7R0.7 CCNC(=O)NCC 512a_100015525214_100015525214 [1,0,0,0,0,0|2,0,1]=4 835 B7R0.7 CCNC(=O)NNC 273464a_100015525214_100016993582 [1,0,0,0,0,0|3,0,0]=4 836 B7R0.7 CCNC(=O)NNC 512a_100015525214_100016993582 [1,0,0,0,0,0|3,0,0]=4 837 B7R0.7 CCNC(=O)NNC 512a_100016993582_100015525214 [1,0,0,0,0,0|3,0,0]=4 838 B7R0.7 CCOC(=O)CNC 2230a_106832991635_100000188475 [1,0,0,0,0,0|2,0,1]=4 839 B7R0.7 CCOC(=O)CNC 34a_100102657272_100000188475 [1,0,0,0,0,0|2,0,1]=4 840 B7R0.7 CCOC(=O)CNC 7a_106832991635_100000188475 [1,0,0,0,0,0|2,0,1]=4 841 B7R0.7 CCOC(=O)COC 34a_100138415774_100000188475 [1,0,0,0,0,0|2,0,1]=4 842 B7R0.7 CCOC(=O)CSC 62a_100000188475_200000210301 [1,0,0,0,0,0|2,0,1]=4 843 B7R0.7 CCOC(=O)CSC 62a_200000210301_100000188475 [1,0,0,0,0,0|2,0,1]=4 844 B7R0.7 CCOC(=O)CS[13CH3] 62a_100000188475_200025704644 [1,0,0,0,0,0|2,0,1]=4 845 B7R0.7 CCOC(=O)CS[13CH3] 62a_200025704644_100000188475 [1,0,0,0,0,0|2,0,1]=4 846 B7R0.7 CNNC(=O)CCO 22a_100016993582_100011216618 [1,0,0,0,0,0|3,0,0]=4 847 B7R0.7 CNNC(=O)COC 22a_100016993582_100000210968 [1,0,0,0,0,0|3,0,0]=4 848 B7R0.7 CNNC(=O)CSC 22a_100016993582_100000184570 [1,0,0,0,0,0|3,0,0]=4 849 B7R0.7 COCC(=O)CCF 1458a_100000210968_100011217306 [1,0,0,0,0,0|2,0,1]=4 850 B7R0.7 COCC(=O)CCO 1458a_100000210968_100000211926 [1,0,0,0,0,0|2,0,1]=4 851 B7R0.7 CSCC(=O)CCF 1458a_100000184570_100011217306 [1,0,0,0,0,0|2,0,1]=4 852 B7R0.7 CSCC(=O)CCO 1458a_100000184570_100000211926 [1,0,0,0,0,0|2,0,1]=4 853 B7R0.7 N#CCC(=O)C=CBr 1458a_100016273825_100011214920 [1,0,0,0,0,0|2,0,1]=4 854 B7R0.7 N#CCC(=O)C=CCl 1458a_200016279998_100011214920 [1,0,0,0,0,0|2,0,1]=4 855 B7R0.7 N#CCC(=O)C=CI 1458a_100016256311_100011214920 [1,0,0,0,0,0|2,0,1]=4 856 B7R0.7 O=C(C=CBr)CCF 1458a_100016273825_100011217306 [1,0,0,0,0,0|2,0,0]=3 857 B7R0.7 O=C(C=CBr)CCO 1458a_100016273825_100000211926 [1,0,0,0,0,0|2,0,0]=3 858 B7R0.7 O=C(C=CCl)CCF 1458a_200016279998_100011217306 [1,0,0,0,0,0|2,0,0]=3 859 B7R0.7 O=C(C=CCl)CCO 1458a_200016279998_100000211926 [1,0,0,0,0,0|2,0,0]=3 860 B7R0.7 O=C(C=CI)CCF 1458a_100016256311_100011217306 [1,0,0,0,0,0|2,0,0]=3 861 B7R0.7 O=C(C=CI)CCO 1458a_100016256311_100000211926 [1,0,0,0,0,0|2,0,0]=3 862 B9R0.4 C#CCCC(=O)C=C(C)C 1458a_100000211388_100000753159 [0,1,0,0,0,0|0,0,2]=3 863 B9R0.4 C#CCCC(=O)C=C(C)Cl 1458a_200042562850_100000753159 [0,1,0,0,0,0|0,0,2]=3 864 B9R0.4 C#CCCC(=O)C=C(C)I 1458a_100025716642_100000753159 [0,1,0,0,0,0|0,0,2]=3 865 B9R0.4 C#CCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000753159 [0,1,0,0,0,0|1,0,2]=4 866 B9R0.4 C#CCCC(=O)CC(=C)C 1458a_100000692101_100000748629 [0,1,0,0,0,0|0,0,3]=4 867 B9R0.4 C#CCNC(=O)C=C(C)C 11a_100000212058_100000211388 [0,1,0,0,0,0|1,0,2]=4 868 B9R0.4 C#CCNC(=O)C=C(C)C 1626a_100000212058_100000211388 [0,1,0,0,0,0|1,0,2]=4 869 B9R0.4 C#CCNC(=O)C=C(C)C 240690a_100000212058_100000211388 [0,1,0,0,0,0|1,0,2]=4 870 B9R0.4 C#CCNC(=O)C=C(C)Cl 11a_100000212058_200042562850 [0,1,0,0,0,0|1,0,2]=4 871 B9R0.4 C#CCNC(=O)C=C(C)Cl 1626a_100000212058_200042562850 [0,1,0,0,0,0|1,0,2]=4 872 B9R0.4 C#CCNC(=O)C=C(C)Cl 240690a_100000212058_200042562850 [0,1,0,0,0,0|1,0,2]=4 873 B9R0.4 C#CCNC(=O)C=C(C)I 11a_100000212058_100025716642 [0,1,0,0,0,0|1,0,2]=4 874 B9R0.4 C#CCNC(=O)C=C(C)I 1626a_100000212058_100025716642 [0,1,0,0,0,0|1,0,2]=4 875 B9R0.4 C/C=C/CC(=O)C=C(C)C 1458a_100000211388_100102629194 [0,1,0,0,0,0|0,0,2]=3 876 B9R0.4 C/C=C/CC(=O)C=C(C)Cl 1458a_200042562850_100102629194 [0,1,0,0,0,0|0,0,2]=3 877 B9R0.4 C/C=C/CC(=O)C=C(C)I 1458a_100025716642_100102629194 [0,1,0,0,0,0|0,0,2]=3 878 B9R0.4 C/C=C/CC(=O)C=C(Cl)Cl 1458a_100000137448_100102629194 [0,1,0,0,0,0|1,0,2]=4 879 B9R0.4 C=C(C)CC(=O)C#CCC 1458a_100011827653_100000748629 [0,1,0,0,0,0|0,0,3]=4 880 B9R0.4 C=C(C)CC(=O)C=CCC 1458a_100000212282_100000748629 [0,1,0,0,0,0|0,0,3]=4 881 B9R0.4 C=C(C)CC(=O)CC=CC 1458a_100121576822_100000748629 [0,1,0,0,0,0|0,0,3]=4 882 B9R0.4 C=C(C)CC(=O)CCC#N 1458a_100011934036_100000748629 [0,1,0,0,0,0|1,0,2]=4 883 B9R0.4 C=C(C)CC(=O)CCCC 1458a_100000210183_100000748629 [0,1,0,0,0,0|0,0,1]=2 884 B9R0.4 C=C(C)CC(=O)CCOC 1458a_100000749529_100000748629 [0,1,0,0,0,0|1,0,1]=3 885 B9R0.4 C=C(C)CC(=O)CCSC 1458a_100000174002_100000748629 [0,1,0,0,0,0|1,0,1]=3 886 B9R0.4 C=C(C)CC(=O)COCC 1458a_100000211967_100000748629 [0,1,0,0,0,0|1,0,1]=3 887 B9R0.4 C=C(C)CC(=O)CSCC 1458a_100000230394_100000748629 [0,1,0,0,0,0|1,0,1]=3 888 B9R0.4 C=C(C)CN(C)CCCC 2230a_100000207549_100000748629 [0,1,0,0,0,0|2,0,1]=4 889 B9R0.4 C=C(C)CN(C)CCCC 2230a_100000225649_100000210211 [0,1,0,0,0,0|2,0,1]=4 890 B9R0.4 C=C(C)CN(C)CCCC 269982a_100000207549_100000748629 [0,1,0,0,0,0|2,0,1]=4 891 B9R0.4 C=C(C)CN(C)CCCC 269982a_100000225649_100000210211 [0,1,0,0,0,0|2,0,1]=4 892 B9R0.4 C=C(F)CC(=O)CCCC 1458a_100000210183_100009893438 [0,1,0,0,0,0|0,0,2]=3 893 B9R0.4 C=C(F)CC(=O)CCOC 1458a_100000749529_100009893438 [0,1,0,0,0,0|1,0,2]=4 894 B9R0.4 C=C(F)CC(=O)CCSC 1458a_100000174002_100009893438 [0,1,0,0,0,0|1,0,2]=4 895 B9R0.4 C=C(F)CC(=O)COCC 1458a_100000211967_100009893438 [0,1,0,0,0,0|1,0,2]=4 896 B9R0.4 C=C(F)CC(=O)CSCC 1458a_100000230394_100009893438 [0,1,0,0,0,0|1,0,2]=4 897 B9R0.4 C=CCCC(=O)C=C(C)C 1458a_100000211388_100000754431 [0,1,0,0,0,0|0,0,2]=3 898 B9R0.4 C=CCCC(=O)C=C(C)Cl 1458a_200042562850_100000754431 [0,1,0,0,0,0|0,0,2]=3 899 B9R0.4 C=CCCC(=O)C=C(C)I 1458a_100025716642_100000754431 [0,1,0,0,0,0|0,0,2]=3 900 B9R0.4 C=CCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000754431 [0,1,0,0,0,0|1,0,2]=4 901 B9R0.4 C=CCCC(=O)CC(=C)C 1458a_100000749702_100000748629 [0,1,0,0,0,0|0,0,3]=4 902 B9R0.4 C=CCNC(=O)C=C(C)C 1626a_100020586998_100000211388 [0,1,0,0,0,0|1,0,2]=4 903 B9R0.4 C=CCNC(=O)C=C(C)C 240690a_100020586998_100000211388 [0,1,0,0,0,0|1,0,2]=4 904 B9R0.4 C=CCNC(=O)C=C(C)Cl 1626a_100020586998_200042562850 [0,1,0,0,0,0|1,0,2]=4 905 B9R0.4 C=CCNC(=O)C=C(C)Cl 240690a_100020586998_200042562850 [0,1,0,0,0,0|1,0,2]=4 906 B9R0.4 C=CCNC(=O)C=C(C)I 1626a_100020586998_100025716642 [0,1,0,0,0,0|1,0,2]=4 907 B9R0.4 CC#CCC(=O)C=C(C)C 1458a_100000211388_100000748600 [0,1,0,0,0,0|0,0,2]=3 908 B9R0.4 CC#CCC(=O)C=C(C)Cl 1458a_200042562850_100000748600 [0,1,0,0,0,0|0,0,2]=3 909 B9R0.4 CC#CCC(=O)C=C(C)I 1458a_100025716642_100000748600 [0,1,0,0,0,0|0,0,2]=3 910 B9R0.4 CC#CCC(=O)C=C(Cl)Cl 1458a_100000137448_100000748600 [0,1,0,0,0,0|1,0,2]=4 911 B9R0.4 CC(=CC(=O)CCC#N)C 1458a_100000211388_100011215226 [0,1,0,0,0,0|1,0,1]=3 912 B9R0.4 CC(=CC(=O)CCC#N)Cl 1458a_200042562850_100011215226 [0,1,0,0,0,0|1,0,1]=3 913 B9R0.4 CC(=CC(=O)CCC#N)I 1458a_100025716642_100011215226 [0,1,0,0,0,0|1,0,1]=3 914 B9R0.4 CC(=CC(=O)CCCF)C 1458a_100000211388_100011934791 [0,1,0,0,0,0|1,0,0]=2 915 B9R0.4 CC(=CC(=O)CCCF)Cl 1458a_200042562850_100011934791 [0,1,0,0,0,0|1,0,0]=2 916 B9R0.4 CC(=CC(=O)CCCF)I 1458a_100025716642_100011934791 [0,1,0,0,0,0|1,0,0]=2 917 B9R0.4 CC(=CC(=O)CCCO)C 1458a_100000211388_100011215043 [0,1,0,0,0,0|1,0,0]=2 918 B9R0.4 CC(=CC(=O)CCCO)Cl 1458a_200042562850_100011215043 [0,1,0,0,0,0|1,0,0]=2 919 B9R0.4 CC(=CC(=O)CCCO)I 1458a_100025716642_100011215043 [0,1,0,0,0,0|1,0,0]=2 920 B9R0.4 CC(=CC(=O)NCC#N)C 1626a_100000734998_100000211388 [0,1,0,0,0,0|2,0,1]=4 921 B9R0.4 CC(=CC(=O)NCC#N)Cl 1626a_100000734998_200042562850 [0,1,0,0,0,0|2,0,1]=4 922 B9R0.4 CC(=CC(=O)NCC#N)I 1626a_100000734998_100025716642 [0,1,0,0,0,0|2,0,1]=4 923 B9R0.4 CC(=CC(=O)NCCF)C 11a_100000724931_100000211388 [0,1,0,0,0,0|2,0,0]=3 924 B9R0.4 CC(=CC(=O)NCCF)C 1626a_100000724931_100000211388 [0,1,0,0,0,0|2,0,0]=3 925 B9R0.4 CC(=CC(=O)NCCF)C 240690a_100000724931_100000211388 [0,1,0,0,0,0|2,0,0]=3 926 B9R0.4 CC(=CC(=O)NCCF)Cl 11a_100000724931_200042562850 [0,1,0,0,0,0|2,0,0]=3 927 B9R0.4 CC(=CC(=O)NCCF)Cl 1626a_100000724931_200042562850 [0,1,0,0,0,0|2,0,0]=3 928 B9R0.4 CC(=CC(=O)NCCF)Cl 240690a_100000724931_200042562850 [0,1,0,0,0,0|2,0,0]=3 929 B9R0.4 CC(=CC(=O)NCCF)I 11a_100000724931_100025716642 [0,1,0,0,0,0|2,0,0]=3 930 B9R0.4 CC(=CC(=O)NCCF)I 1626a_100000724931_100025716642 [0,1,0,0,0,0|2,0,0]=3 931 B9R0.4 CC(=CC(=O)NCCO)C 240690a_100000210304_100000211388 [0,1,0,0,0,0|2,0,0]=3 932 B9R0.4 CC(=CC(=O)NCCO)Cl 240690a_100000210304_200042562850 [0,1,0,0,0,0|2,0,0]=3 933 B9R0.4 CC(=O)NC(=O)CSCF 62a_100015361967_100000183797 [0,1,0,0,0,0|3,0,0]=4 934 B9R0.4 CC(C)CC(=O)CCCF 1458a_100000210554_100011934791 [0,1,0,0,0,0|1,0,2]=4 935 B9R0.4 CC(C)CC(=O)CCCO 1458a_100000210554_100011215043 [0,1,0,0,0,0|1,0,2]=4 936 B9R0.4 CC(C)NC(=O)CCS[13CH3] 62a_100000737564_200025704644 [0,1,0,0,0,0|2,0,1]=4 937 B9R0.4 CC(C)NC(=O)CCS[13CH3] 62a_200025704644_100000737564 [0,1,0,0,0,0|2,0,1]=4 938 B9R0.4 CC(C)OC(=O)CCS[13CH3] 62a_100000760027_200025704644 [0,1,0,0,0,0|2,0,1]=4 939 B9R0.4 CC(C)OC(=O)CCS[13CH3] 62a_200025704644_100000760027 [0,1,0,0,0,0|2,0,1]=4 940 B9R0.4 CC=CCC(=O)C=C(C)C 1458a_100000211388_100000070051 [0,1,0,0,0,0|0,0,2]=3 941 B9R0.4 CC=CCC(=O)C=C(C)Cl 1458a_200042562850_100000070051 [0,1,0,0,0,0|0,0,2]=3 942 B9R0.4 CC=CCC(=O)C=C(C)I 1458a_100025716642_100000070051 [0,1,0,0,0,0|0,0,2]=3 943 B9R0.4 CC=CCC(=O)C=C(Cl)Cl 1458a_100000137448_100000070051 [0,1,0,0,0,0|1,0,2]=4 944 B9R0.4 CCCCC(=O)C=C(C)C 1458a_100000211388_100000210211 [0,1,0,0,0,0|0,0,0]=1 945 B9R0.4 CCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210211 [0,1,0,0,0,0|0,0,0]=1 946 B9R0.4 CCCCC(=O)C=C(C)I 1458a_100025716642_100000210211 [0,1,0,0,0,0|0,0,0]=1 947 B9R0.4 CCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210211 [0,1,0,0,0,0|1,0,0]=2 948 B9R0.4 CCCCC(=O)CC(=O)N 1458a_100000210183_100000187820 [0,1,0,0,0,0|1,0,1]=3 949 B9R0.4 CCCCC(=O)CC(=O)N 1458a_100134613110_100000210211 [0,1,0,0,0,0|1,0,1]=3 950 B9R0.4 CCCCC(=O)CC(=O)[O-] 1458a_100000210183_100020667443 [0,1,0,0,0,0|1,0,1]=3 951 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210183_100000210624 [0,1,0,0,0,0|0,0,2]=3 952 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210554_100000210211 [0,1,0,0,0,0|0,0,2]=3 953 B9R0.4 CCCCC(=O)CC(C)O 1458a_100000210183_100011218427 [0,1,0,0,0,0|0,0,2]=3 954 B9R0.4 CCCCC(=O)CC(F)F 1458a_100000210183_100011934356 [0,1,0,0,0,0|1,0,2]=4 955 B9R0.4 CCCCC(=O)CN(C)C 1458a_100000750896_100000210211 [0,1,0,0,0,0|1,0,1]=3 956 B9R0.4 CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210211 [0,1,0,0,0,0|0,0,2]=3 957 B9R0.4 CCCCC(=O)C[N+](=O)[O-] 1458a_100000210183_100000761209 [0,1,0,0,0,0|2,0,1]=4 958 B9R0.4 CCCCC(=O)C[S+](C)C 1458a_200159257847_100000210211 [0,1,0,0,0,0|1,0,1]=3 959 B9R0.4 CCCCC(=O)NC(C)C 11a_100138425928_100000210183 [0,1,0,0,0,0|1,0,1]=3 960 B9R0.4 CCCCC(=O)NC(C)C 1626a_100138425928_100000210183 [0,1,0,0,0,0|1,0,1]=3 961 B9R0.4 CCCCC(=O)NC(C)C 240690a_100138425928_100000210183 [0,1,0,0,0,0|1,0,1]=3 962 B9R0.4 CCCCC(=O)NC(C)C 527a_100138425928_100000210183 [0,1,0,0,0,0|1,0,1]=3 963 B9R0.4 CCCCC(C)NC(=O)C 11a_100000126638_100015343762 [0,1,0,0,0,0|2,0,1]=4 964 B9R0.4 CCCCC(C)NC(=O)C 1626a_100000126638_100015343762 [0,1,0,0,0,0|2,0,1]=4 965 B9R0.4 CCCCC(C)NC(=O)C 240690a_100000126638_100015343762 [0,1,0,0,0,0|2,0,1]=4 966 B9R0.4 CCCCC(C)NC(=O)C 527a_100000126638_100103153847 [0,1,0,0,0,0|2,0,1]=4 967 B9R0.4 CCCNC(=O)C=C(C)C 11a_100020643023_100000211388 [0,1,0,0,0,0|1,0,0]=2 968 B9R0.4 CCCNC(=O)C=C(C)C 1626a_100020643023_100000211388 [0,1,0,0,0,0|1,0,0]=2 969 B9R0.4 CCCNC(=O)C=C(C)C 240690a_100020643023_100000211388 [0,1,0,0,0,0|1,0,0]=2 970 B9R0.4 CCCNC(=O)C=C(C)Cl 11a_100020643023_200042562850 [0,1,0,0,0,0|1,0,0]=2 971 B9R0.4 CCCNC(=O)C=C(C)Cl 1626a_100020643023_200042562850 [0,1,0,0,0,0|1,0,0]=2 972 B9R0.4 CCCNC(=O)C=C(C)Cl 240690a_100020643023_200042562850 [0,1,0,0,0,0|1,0,0]=2 973 B9R0.4 CCCNC(=O)C=C(C)I 11a_100020643023_100025716642 [0,1,0,0,0,0|1,0,0]=2 974 B9R0.4 CCCNC(=O)C=C(C)I 1626a_100020643023_100025716642 [0,1,0,0,0,0|1,0,0]=2 975 B9R0.4 CCCNC(=O)C=C(Cl)Cl 1626a_100020643023_100000137448 [0,1,0,0,0,0|2,0,0]=3 976 B9R0.4 CCCNC(=O)C=C(Cl)Cl 240690a_100020643023_100000137448 [0,1,0,0,0,0|2,0,0]=3 977 B9R0.4 CCCNC(=O)CC(=O)C 1458a_100000070787_100000183358 [0,1,0,0,0,0|1,0,1]=3 978 B9R0.4 CCCNC(=O)CC(=O)N 240690a_100020643023_100134613110 [0,1,0,0,0,0|2,0,1]=4 979 B9R0.4 CCCNC(=O)CC(=O)N 527a_100020643023_100134613110 [0,1,0,0,0,0|2,0,1]=4 980 B9R0.4 CCCNC(=O)CC(C)C 11a_100020643023_100000210554 [0,1,0,0,0,0|1,0,2]=4 981 B9R0.4 CCCNC(=O)CC(C)C 1626a_100020643023_100000210554 [0,1,0,0,0,0|1,0,2]=4 982 B9R0.4 CCCNC(=O)CC(C)C 240690a_100020643023_100000210554 [0,1,0,0,0,0|1,0,2]=4 983 B9R0.4 CCCNC(=O)CC(C)C 527a_100020643023_100000210554 [0,1,0,0,0,0|1,0,2]=4 984 B9R0.4 CCCNC(=O)CN(C)C 11a_100020643023_100000750896 [0,1,0,0,0,0|2,0,1]=4 985 B9R0.4 CCCNC(=O)CN(C)C 2230a_100000684209_200000210301 [0,1,0,0,0,0|2,0,1]=4 986 B9R0.4 CCCNC(=O)CN(C)C 2230a_100102631434_100000183358 [0,1,0,0,0,0|2,0,1]=4 987 B9R0.4 CCCNC(=O)CN(C)C 240690a_100020643023_100000750896 [0,1,0,0,0,0|2,0,1]=4 988 B9R0.4 CCCNC(=O)CN(C)C 269982a_100000684209_200000210301 [0,1,0,0,0,0|2,0,1]=4 989 B9R0.4 CCCNC(=O)CN(C)C 269982a_100102631434_100000183358 [0,1,0,0,0,0|2,0,1]=4 990 B9R0.4 CCCNC(=O)CN(C)C 527a_100020643023_100000750896 [0,1,0,0,0,0|2,0,1]=4 991 B9R0.4 CCCNC(=O)CN(C)[13CH3] 2230a_100000684209_200025704644 [0,1,0,0,0,0|2,0,1]=4 992 B9R0.4 CCCNC(=O)CN(C)[13CH3] 269982a_100000684209_200025704644 [0,1,0,0,0,0|2,0,1]=4 993 B9R0.4 CCCNC(=O)C[C@@H](C)O 240690a_100020643023_100011933948 [0,1,0,0,0,0|1,0,2]=4 994 B9R0.4 CCCNC(=O)C[S+](C)C 11a_100020643023_200159257847 [0,1,0,0,0,0|2,0,1]=4 995 B9R0.4 CCCNC(=O)C[S+](C)C 1626a_100020643023_200159257847 [0,1,0,0,0,0|2,0,1]=4 996 B9R0.4 CCCNC(=O)C[S+](C)C 240690a_100020643023_200159257847 [0,1,0,0,0,0|2,0,1]=4 997 B9R0.4 CCCNC(=O)C[S+](C)C 527a_100020643023_200159257847 [0,1,0,0,0,0|2,0,1]=4 998 B9R0.4 CCCNC(=O)NC(C)C 2708a_100020643023_100138425928 [0,1,0,0,0,0|2,0,1]=4 999 B9R0.4 CCCNC(=O)NC(C)C 2708a_100138425928_100020643023 [0,1,0,0,0,0|2,0,1]=4 1000 B9R0.4 CCCNC(=O)NC(C)C 273464a_100138425928_100020643023 [0,1,0,0,0,0|2,0,1]=4 1001 B9R0.4 CCCNC(=O)NC(C)C 512a_100020643023_100138425928 [0,1,0,0,0,0|2,0,1]=4 1002 B9R0.4 CCCNC(=O)NC(C)C 512a_100138425928_100020643023 [0,1,0,0,0,0|2,0,1]=4 1003 B9R0.4 CCCOC(=O)CC(=O)C 1458a_100000070787_200011215008 [0,1,0,0,0,0|1,0,1]=3 1004 B9R0.4 CCCOC(=O)CN(C)C 2230a_100102631434_200011215008 [0,1,0,0,0,0|2,0,1]=4 1005 B9R0.4 CCCOC(=O)CN(C)C 269982a_100102631434_200011215008 [0,1,0,0,0,0|2,0,1]=4 1006 B9R0.4 CCCOC(C)C=C(C)C 34a_100000717055_100000210303 [0,1,0,0,0,0|2,0,1]=4 1007 B9R0.4 CCNCC(=O)NC(=O)N 2230a_100015525214_100000182717 [0,1,0,0,0,0|3,0,0]=4 1008 B9R0.4 CCNCC(=O)NC(C)C 2230a_100000168517_100000210202 [0,1,0,0,0,0|2,0,1]=4 1009 B9R0.4 CCNCC(=O)NC(C)C 2230a_100015525214_100000183996 [0,1,0,0,0,0|2,0,1]=4 1010 B9R0.4 CCNCC(=O)OC(C)C 2230a_100015525214_100011215430 [0,1,0,0,0,0|2,0,1]=4 1011 B9R0.4 CCNNC(=O)C=C(C)C 22a_100000756455_100000211388 [0,1,0,0,0,0|2,0,0]=3 1012 B9R0.4 CCNNC(=O)C=C(C)Cl 22a_100000756455_200042562850 [0,1,0,0,0,0|2,0,0]=3 1013 B9R0.4 CCOCC(=O)CC(=O)N 1458a_100000211967_100000187820 [0,1,0,0,0,0|2,0,1]=4 1014 B9R0.4 CCOCC(=O)CC(=O)[O-] 1458a_100000211967_100020667443 [0,1,0,0,0,0|2,0,1]=4 1015 B9R0.4 CCOCC(=O)CC(C)C 1458a_100000211967_100000210624 [0,1,0,0,0,0|1,0,2]=4 1016 B9R0.4 CCOCC(=O)CC(C)O 1458a_100000211967_100011218427 [0,1,0,0,0,0|1,0,2]=4 1017 B9R0.4 CCOCC(=O)NC(C)C 11a_100138425928_100000211967 [0,1,0,0,0,0|2,0,1]=4 1018 B9R0.4 CCOCC(=O)NC(C)C 1626a_100138425928_100000211967 [0,1,0,0,0,0|2,0,1]=4 1019 B9R0.4 CCOCC(=O)NC(C)C 240690a_100138425928_100000211967 [0,1,0,0,0,0|2,0,1]=4 1020 B9R0.4 CCOCC(=O)NC(C)C 34a_100121572206_100000183996 [0,1,0,0,0,0|2,0,1]=4 1021 B9R0.4 CCOCC(=O)NC(C)C 527a_100138425928_100000211967 [0,1,0,0,0,0|2,0,1]=4 1022 B9R0.4 CCOCC(=O)OC(C)C 34a_100121572206_100011215430 [0,1,0,0,0,0|2,0,1]=4 1023 B9R0.4 CCSCC(=O)CC(=O)N 1458a_100000230394_100000187820 [0,1,0,0,0,0|2,0,1]=4 1024 B9R0.4 CCSCC(=O)CC(=O)[O-] 1458a_100000230394_100020667443 [0,1,0,0,0,0|2,0,1]=4 1025 B9R0.4 CCSCC(=O)CC(C)C 1458a_100000230394_100000210624 [0,1,0,0,0,0|1,0,2]=4 1026 B9R0.4 CCSCC(=O)CC(C)O 1458a_100000230394_100011218427 [0,1,0,0,0,0|1,0,2]=4 1027 B9R0.4 CCSCC(=O)NC(=O)C 62a_100000210202_100000183797 [0,1,0,0,0,0|2,0,0]=3 1028 B9R0.4 CCSCC(=O)NC(=O)N 62a_100000210202_100000182717 [0,1,0,0,0,0|3,0,0]=4 1029 B9R0.4 CCSCC(=O)NC(C)C 11a_100138425928_100000230394 [0,1,0,0,0,0|2,0,1]=4 1030 B9R0.4 CCSCC(=O)NC(C)C 1626a_100138425928_100000230394 [0,1,0,0,0,0|2,0,1]=4 1031 B9R0.4 CCSCC(=O)NC(C)C 240690a_100138425928_100000230394 [0,1,0,0,0,0|2,0,1]=4 1032 B9R0.4 CCSCC(=O)NC(C)C 527a_100138425928_100000230394 [0,1,0,0,0,0|2,0,1]=4 1033 B9R0.4 CCSCC(=O)NC(C)C 62a_100000183996_100000210202 [0,1,0,0,0,0|2,0,1]=4 1034 B9R0.4 CCSCC(=O)NC(C)C 62a_100000210202_100000183996 [0,1,0,0,0,0|2,0,1]=4 1035 B9R0.4 CCSCC(=O)OC(C)C 62a_100000210202_100011215430 [0,1,0,0,0,0|2,0,1]=4 1036 B9R0.4 CCSCC(=O)OC(C)C 62a_100011215430_100000210202 [0,1,0,0,0,0|2,0,1]=4 1037 B9R0.4 CN(C)CC(=O)CCCF 1458a_100000750896_100011934791 [0,1,0,0,0,0|2,0,1]=4 1038 B9R0.4 CN(C)CC(=O)CCCO 1458a_100000750896_100011215043 [0,1,0,0,0,0|2,0,1]=4 1039 B9R0.4 CNCCC(=O)NC(=O)N 2230a_106832991635_100000237605 [0,1,0,0,0,0|3,0,0]=4 1040 B9R0.4 CNCCC(=O)NC(=O)N 7a_106832991635_100000237605 [0,1,0,0,0,0|3,0,0]=4 1041 B9R0.4 CNCCC(=O)NC(C)C 2230a_106832991635_100000737564 [0,1,0,0,0,0|2,0,1]=4 1042 B9R0.4 CNCCC(=O)NC(C)C 7a_106832991635_100000737564 [0,1,0,0,0,0|2,0,1]=4 1043 B9R0.4 CNCCC(=O)OC(C)C 2230a_106832991635_100000760027 [0,1,0,0,0,0|2,0,1]=4 1044 B9R0.4 CNCCC(=O)OC(C)C 7a_106832991635_100000760027 [0,1,0,0,0,0|2,0,1]=4 1045 B9R0.4 COCCC(=O)C=C(C)C 1458a_100000211388_100000233755 [0,1,0,0,0,0|1,0,0]=2 1046 B9R0.4 COCCC(=O)C=C(C)Cl 1458a_200042562850_100000233755 [0,1,0,0,0,0|1,0,0]=2 1047 B9R0.4 COCCC(=O)C=C(C)I 1458a_100025716642_100000233755 [0,1,0,0,0,0|1,0,0]=2 1048 B9R0.4 COCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000233755 [0,1,0,0,0,0|2,0,0]=3 1049 B9R0.4 COCCC(=O)CC(=O)N 1458a_100000749529_100000187820 [0,1,0,0,0,0|2,0,1]=4 1050 B9R0.4 COCCC(=O)CC(=O)N 1458a_100134613110_100000233755 [0,1,0,0,0,0|2,0,1]=4 1051 B9R0.4 COCCC(=O)CC(=O)[O-] 1458a_100000749529_100020667443 [0,1,0,0,0,0|2,0,1]=4 1052 B9R0.4 COCCC(=O)CC(C)C 1458a_100000210554_100000233755 [0,1,0,0,0,0|1,0,2]=4 1053 B9R0.4 COCCC(=O)CC(C)C 1458a_100000749529_100000210624 [0,1,0,0,0,0|1,0,2]=4 1054 B9R0.4 COCCC(=O)CC(C)O 1458a_100000749529_100011218427 [0,1,0,0,0,0|1,0,2]=4 1055 B9R0.4 COCCC(=O)CN(C)C 1458a_100000750896_100000233755 [0,1,0,0,0,0|2,0,1]=4 1056 B9R0.4 COCCC(=O)C[C@@H](C)O 1458a_100011933948_100000233755 [0,1,0,0,0,0|1,0,2]=4 1057 B9R0.4 COCCC(=O)C[S+](C)C 1458a_200159257847_100000233755 [0,1,0,0,0,0|2,0,1]=4 1058 B9R0.4 COCCC(=O)NC(C)C 11a_100138425928_100000749529 [0,1,0,0,0,0|2,0,1]=4 1059 B9R0.4 COCCC(=O)NC(C)C 1626a_100138425928_100000749529 [0,1,0,0,0,0|2,0,1]=4 1060 B9R0.4 COCCC(=O)NC(C)C 240690a_100138425928_100000749529 [0,1,0,0,0,0|2,0,1]=4 1061 B9R0.4 COCCC(=O)NC(C)C 527a_100138425928_100000749529 [0,1,0,0,0,0|2,0,1]=4 1062 B9R0.4 CSCCC(=O)C=C(C)C 1458a_100000211388_100000751147 [0,1,0,0,0,0|1,0,0]=2 1063 B9R0.4 CSCCC(=O)C=C(C)Cl 1458a_200042562850_100000751147 [0,1,0,0,0,0|1,0,0]=2 1064 B9R0.4 CSCCC(=O)C=C(C)I 1458a_100025716642_100000751147 [0,1,0,0,0,0|1,0,0]=2 1065 B9R0.4 CSCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000751147 [0,1,0,0,0,0|2,0,0]=3 1066 B9R0.4 CSCCC(=O)CC(=O)N 1458a_100000174002_100000187820 [0,1,0,0,0,0|2,0,1]=4 1067 B9R0.4 CSCCC(=O)CC(=O)N 1458a_100134613110_100000751147 [0,1,0,0,0,0|2,0,1]=4 1068 B9R0.4 CSCCC(=O)CC(=O)[O-] 1458a_100000174002_100020667443 [0,1,0,0,0,0|2,0,1]=4 1069 B9R0.4 CSCCC(=O)CC(C)C 1458a_100000174002_100000210624 [0,1,0,0,0,0|1,0,2]=4 1070 B9R0.4 CSCCC(=O)CC(C)C 1458a_100000210554_100000751147 [0,1,0,0,0,0|1,0,2]=4 1071 B9R0.4 CSCCC(=O)CC(C)O 1458a_100000174002_100011218427 [0,1,0,0,0,0|1,0,2]=4 1072 B9R0.4 CSCCC(=O)CN(C)C 1458a_100000750896_100000751147 [0,1,0,0,0,0|2,0,1]=4 1073 B9R0.4 CSCCC(=O)C[C@@H](C)O 1458a_100011933948_100000751147 [0,1,0,0,0,0|1,0,2]=4 1074 B9R0.4 CSCCC(=O)C[S+](C)C 1458a_200159257847_100000751147 [0,1,0,0,0,0|2,0,1]=4 1075 B9R0.4 CSCCC(=O)NC(=O)N 62a_200000210301_100000237605 [0,1,0,0,0,0|3,0,0]=4 1076 B9R0.4 CSCCC(=O)NC(C)C 11a_100138425928_100000174002 [0,1,0,0,0,0|2,0,1]=4 1077 B9R0.4 CSCCC(=O)NC(C)C 1626a_100138425928_100000174002 [0,1,0,0,0,0|2,0,1]=4 1078 B9R0.4 CSCCC(=O)NC(C)C 240690a_100138425928_100000174002 [0,1,0,0,0,0|2,0,1]=4 1079 B9R0.4 CSCCC(=O)NC(C)C 527a_100138425928_100000174002 [0,1,0,0,0,0|2,0,1]=4 1080 B9R0.4 CSCCC(=O)NC(C)C 62a_100000737564_200000210301 [0,1,0,0,0,0|2,0,1]=4 1081 B9R0.4 CSCCC(=O)NC(C)C 62a_200000210301_100000737564 [0,1,0,0,0,0|2,0,1]=4 1082 B9R0.4 CSCCC(=O)OC(C)C 62a_100000760027_200000210301 [0,1,0,0,0,0|2,0,1]=4 1083 B9R0.4 CSCCC(=O)OC(C)C 62a_200000210301_100000760027 [0,1,0,0,0,0|2,0,1]=4 1084 B9R0.4 C[C@@H](O)CC(=O)CCCF 1458a_100011933948_100011934791 [0,1,0,0,0,0|1,0,2]=4 1085 B9R0.4 C[C@@H](O)CC(=O)CCCO 1458a_100011933948_100011215043 [0,1,0,0,0,0|1,0,2]=4 1086 B9R0.4 C[S+](C)CC(=O)CCCF 1458a_200159257847_100011934791 [0,1,0,0,0,0|2,0,1]=4 1087 B9R0.4 C[S+](C)CC(=O)CCCO 1458a_200159257847_100011215043 [0,1,0,0,0,0|2,0,1]=4 1088 B9R0.4 N#CCCC(=O)C=C(Cl)Cl 1458a_100000137448_100011215226 [0,1,0,0,0,0|2,0,1]=4 1089 B9R0.4 NC(=O)CC(=O)CCCF 1458a_100134613110_100011934791 [0,1,0,0,0,0|2,0,1]=4 1090 B9R0.4 NC(=O)CC(=O)CCCO 1458a_100134613110_100011215043 [0,1,0,0,0,0|2,0,1]=4 1091 B9R0.4 O=C(C=C(Cl)Cl)CCCF 1458a_100000137448_100011934791 [0,1,0,0,0,0|2,0,0]=3 1092 B9R0.4 O=C(C=C(Cl)Cl)CCCO 1458a_100000137448_100011215043 [0,1,0,0,0,0|2,0,0]=3 1093 B9R0.4 O=C(C=C(Cl)Cl)NCCF 1626a_100000724931_100000137448 [0,1,0,0,0,0|3,0,0]=4 1094 B9R0.4 O=C(C=C(Cl)Cl)NCCF 240690a_100000724931_100000137448 [0,1,0,0,0,0|3,0,0]=4 1095 B9R0.4 O=C(C=C(Cl)Cl)NCCO 240690a_100000210304_100000137448 [0,1,0,0,0,0|3,0,0]=4 1096 B9R0.4 [13CH3]SCCC(=O)NC(=O)N 62a_200025704644_100000237605 [0,1,0,0,0,0|3,0,0]=4 1097 B9R0.5 C#CCC(=O)CCCCC 1458a_100000212188_100000184674 [0,1,0,0,0,0|0,0,3]=4 1098 B9R0.5 C#CCC(=O)CCCCC 1458a_100011220946_100000210326 [0,1,0,0,0,0|0,0,3]=4 1099 B9R0.5 C#CCC(=O)CCCCF 1458a_100011220946_100000729493 [0,1,0,0,0,0|0,0,3]=4 1100 B9R0.5 C#CCC(=O)CCCCO 1458a_100000695505_100000184674 [0,1,0,0,0,0|0,0,3]=4 1101 B9R0.5 C#CCC(=O)CCCCO 1458a_100011220946_100000210776 [0,1,0,0,0,0|0,0,3]=4 1102 B9R0.5 C#CCC(=O)CCCOC 1458a_100000741012_100000184674 [0,1,0,0,0,0|0,0,3]=4 1103 B9R0.5 C#CCC(=O)CCCOC 1458a_100011220946_100000740836 [0,1,0,0,0,0|0,0,3]=4 1104 B9R0.5 C#CCC(=O)CCCSC 1458a_100000173376_100000184674 [0,1,0,0,0,0|0,0,3]=4 1105 B9R0.5 C#CCC(=O)CCOCC 1458a_100000749530_100000184674 [0,1,0,0,0,0|0,0,3]=4 1106 B9R0.5 C#CCC(=O)CCOCC 1458a_100011220946_100011215890 [0,1,0,0,0,0|0,0,3]=4 1107 B9R0.5 C#CCC(=O)CCSCC 1458a_100000230768_100000184674 [0,1,0,0,0,0|0,0,3]=4 1108 B9R0.5 C#CCC(=O)CCSCC 1458a_100011220946_100000757381 [0,1,0,0,0,0|0,0,3]=4 1109 B9R0.5 C#CCC(=O)COCCC 1458a_100000745993_100000184674 [0,1,0,0,0,0|0,0,3]=4 1110 B9R0.5 C#CCC(=O)CSCCC 1458a_100000217233_100000184674 [0,1,0,0,0,0|0,0,3]=4 1111 B9R0.5 C#CCC(=O)NCCCC 1626a_100000102301_100011220946 [0,1,0,0,0,0|0,0,3]=4 1112 B9R0.5 C#CCC(=O)NCCCC 527a_100000102301_100011220946 [0,1,0,0,0,0|0,0,3]=4 1113 B9R0.5 C#CCCCC(=O)C#CC 1458a_100000763181_100000731252 [0,1,0,0,0,0|0,0,3]=4 1114 B9R0.5 C#CCCCC(=O)C=CBr 1458a_100016273825_100000731252 [0,1,0,0,0,0|1,0,1]=3 1115 B9R0.5 C#CCCCC(=O)C=CC 1458a_100000210699_100000731252 [0,1,0,0,0,0|0,0,1]=2 1116 B9R0.5 C#CCCCC(=O)C=CCl 1458a_200016279998_100000731252 [0,1,0,0,0,0|1,0,1]=3 1117 B9R0.5 C#CCCCC(=O)C=CI 1458a_100016256311_100000731252 [0,1,0,0,0,0|1,0,1]=3 1118 B9R0.5 C#CCCCC(=O)CC=C 1458a_100000210193_100000731252 [0,1,0,0,0,0|0,0,3]=4 1119 B9R0.5 C#CCCCC(=O)CC=C 1458a_100000690238_100000210623 [0,1,0,0,0,0|0,0,3]=4 1120 B9R0.5 C#CCCCC(=O)CCC 1458a_100000211992_100000731252 [0,1,0,0,0,0|0,0,3]=4 1121 B9R0.5 C#CCCCC(=O)CCC 1458a_100000690238_100000210303 [0,1,0,0,0,0|0,0,3]=4 1122 B9R0.5 C#CCCCC(=O)COC 1458a_100000210968_100000731252 [0,1,0,0,0,0|1,0,2]=4 1123 B9R0.5 C#CCCCC(=O)CSC 1458a_100000184570_100000731252 [0,1,0,0,0,0|1,0,2]=4 1124 B9R0.5 C#CCCCC(=O)NCC 11a_100015525214_100000690238 [0,1,0,0,0,0|1,0,2]=4 1125 B9R0.5 C#CCCCC(=O)NCC 240690a_100015525214_100000690238 [0,1,0,0,0,0|1,0,2]=4 1126 B9R0.5 C#CCCCC(=O)NCC 527a_100015525214_100000690238 [0,1,0,0,0,0|1,0,2]=4 1127 B9R0.5 C#CCCCC(=O)NNC 22a_100016993582_100000690238 [0,1,0,0,0,0|2,0,1]=4 1128 B9R0.5 C#CCCNC(=O)C=CBr 1626a_100000755551_100016273825 [0,1,0,0,0,0|1,0,2]=4 1129 B9R0.5 C#CCCNC(=O)C=CBr 240690a_100000755551_100016273825 [0,1,0,0,0,0|1,0,2]=4 1130 B9R0.5 C#CCCNC(=O)C=CC 11a_100000755551_100000210699 [0,1,0,0,0,0|0,0,2]=3 1131 B9R0.5 C#CCCNC(=O)C=CC 1626a_100000755551_100000210699 [0,1,0,0,0,0|0,0,2]=3 1132 B9R0.5 C#CCCNC(=O)C=CC 240690a_100000755551_100000210699 [0,1,0,0,0,0|0,0,2]=3 1133 B9R0.5 C#CCCNC(=O)C=CCl 11a_100000755551_200016279998 [0,1,0,0,0,0|1,0,2]=4 1134 B9R0.5 C#CCCNC(=O)C=CCl 1626a_100000755551_200016279998 [0,1,0,0,0,0|1,0,2]=4 1135 B9R0.5 C#CCCNC(=O)C=CCl 240690a_100000755551_200016279998 [0,1,0,0,0,0|1,0,2]=4 1136 B9R0.5 C#CCCNC(=O)C=CI 1626a_100000755551_100016256311 [0,1,0,0,0,0|1,0,2]=4 1137 B9R0.5 C/C=C/C(C)OCCCC 34a_200102604097_100000210210 [0,1,0,0,0,0|1,0,1]=3 1138 B9R0.5 C/C=C/C(C)OCCCF 34a_200102604097_100011934791 [0,1,0,0,0,0|2,0,1]=4 1139 B9R0.5 C/C=C/C(C)OCCCO 34a_200102604097_100000230001 [0,1,0,0,0,0|2,0,1]=4 1140 B9R0.5 C/C=C/C(C)OCCOC 34a_200102604097_100011201679 [0,1,0,0,0,0|2,0,1]=4 1141 B9R0.5 C/C=C/C(C)OCCSC 34a_200102604097_100000212216 [0,1,0,0,0,0|2,0,1]=4 1142 B9R0.5 C=CCC(=O)C#CCCC 1458a_200011218047_100000210623 [0,1,0,0,0,0|0,0,3]=4 1143 B9R0.5 C=CCC(=O)C/C=C/CC 1458a_100016274230_100000210623 [0,1,0,0,0,0|0,0,3]=4 1144 B9R0.5 C=CCC(=O)C/C=C\CC 1458a_100000210193_100103147603 [0,1,0,0,0,0|0,0,3]=4 1145 B9R0.5 C=CCC(=O)C=CCCC 1458a_100000212230_100000210623 [0,1,0,0,0,0|0,0,3]=4 1146 B9R0.5 C=CCC(=O)CC#CCC 1458a_100000210193_100009813939 [0,1,0,0,0,0|0,0,3]=4 1147 B9R0.5 C=CCC(=O)CCCC#N 1458a_100000075515_100000210623 [0,1,0,0,0,0|0,0,3]=4 1148 B9R0.5 C=CCC(=O)CCCC#N 1458a_100000210193_100000211468 [0,1,0,0,0,0|0,0,3]=4 1149 B9R0.5 C=CCC(=O)CCCCC 1458a_100000210193_100000210326 [0,1,0,0,0,0|0,0,2]=3 1150 B9R0.5 C=CCC(=O)CCCCC 1458a_100000212188_100000210623 [0,1,0,0,0,0|0,0,2]=3 1151 B9R0.5 C=CCC(=O)CCCCF 1458a_100000210193_100000729493 [0,1,0,0,0,0|0,0,2]=3 1152 B9R0.5 C=CCC(=O)CCCCO 1458a_100000210193_100000210776 [0,1,0,0,0,0|0,0,2]=3 1153 B9R0.5 C=CCC(=O)CCCCO 1458a_100000695505_100000210623 [0,1,0,0,0,0|0,0,2]=3 1154 B9R0.5 C=CCC(=O)CCCOC 1458a_100000210193_100000740836 [0,1,0,0,0,0|0,0,2]=3 1155 B9R0.5 C=CCC(=O)CCCOC 1458a_100000741012_100000210623 [0,1,0,0,0,0|0,0,2]=3 1156 B9R0.5 C=CCC(=O)CCCSC 1458a_100000173376_100000210623 [0,1,0,0,0,0|0,0,2]=3 1157 B9R0.5 C=CCC(=O)CCOCC 1458a_100000210193_100011215890 [0,1,0,0,0,0|0,0,2]=3 1158 B9R0.5 C=CCC(=O)CCOCC 1458a_100000749530_100000210623 [0,1,0,0,0,0|0,0,2]=3 1159 B9R0.5 C=CCC(=O)CCSCC 1458a_100000210193_100000757381 [0,1,0,0,0,0|0,0,2]=3 1160 B9R0.5 C=CCC(=O)CCSCC 1458a_100000230768_100000210623 [0,1,0,0,0,0|0,0,2]=3 1161 B9R0.5 C=CCC(=O)COCCC 1458a_100000745993_100000210623 [0,1,0,0,0,0|0,0,2]=3 1162 B9R0.5 C=CCC(=O)COCCO 1458a_100000708028_100000210623 [0,1,0,0,0,0|1,0,2]=4 1163 B9R0.5 C=CCC(=O)CSCCC 1458a_100000217233_100000210623 [0,1,0,0,0,0|0,0,2]=3 1164 B9R0.5 C=CCC(=O)NCCCC 11a_100000102301_100000210193 [0,1,0,0,0,0|0,0,2]=3 1165 B9R0.5 C=CCC(=O)NCCCC 1626a_100000102301_100000210193 [0,1,0,0,0,0|0,0,2]=3 1166 B9R0.5 C=CCC(=O)NCCCC 240690a_100000102301_100000210193 [0,1,0,0,0,0|0,0,2]=3 1167 B9R0.5 C=CCC(=O)NCCCC 527a_100000102301_100000210193 [0,1,0,0,0,0|0,0,2]=3 1168 B9R0.5 C=CCC(=O)NCCCF 11a_100015189416_100000210193 [0,1,0,0,0,0|1,0,2]=4 1169 B9R0.5 C=CCC(=O)NCCCF 1626a_100015189416_100000210193 [0,1,0,0,0,0|1,0,2]=4 1170 B9R0.5 C=CCC(=O)NCCCF 240690a_100015189416_100000210193 [0,1,0,0,0,0|1,0,2]=4 1171 B9R0.5 C=CCC(=O)NCCCF 527a_100015189416_100000210193 [0,1,0,0,0,0|1,0,2]=4 1172 B9R0.5 C=CCC(=O)NCCCO 240690a_100000182051_100000210193 [0,1,0,0,0,0|1,0,2]=4 1173 B9R0.5 C=CCC(=O)NCCCO 527a_100000182051_100000210193 [0,1,0,0,0,0|1,0,2]=4 1174 B9R0.5 C=CCC(=O)NCCOC 1626a_100000209980_100000210193 [0,1,0,0,0,0|1,0,2]=4 1175 B9R0.5 C=CCC(=O)NCCOC 240690a_100000209980_100000210193 [0,1,0,0,0,0|1,0,2]=4 1176 B9R0.5 C=CCC(=O)NCCOC 527a_100000209980_100000210193 [0,1,0,0,0,0|1,0,2]=4 1177 B9R0.5 C=CCC(=O)NCCSC 11a_100020590264_100000210193 [0,1,0,0,0,0|1,0,2]=4 1178 B9R0.5 C=CCC(=O)NCCSC 1626a_100020590264_100000210193 [0,1,0,0,0,0|1,0,2]=4 1179 B9R0.5 C=CCC(=O)NCCSC 240690a_100020590264_100000210193 [0,1,0,0,0,0|1,0,2]=4 1180 B9R0.5 C=CCC(=O)NCCSC 527a_100020590264_100000210193 [0,1,0,0,0,0|1,0,2]=4 1181 B9R0.5 C=CCC(=O)NNCCC 22a_100000740057_100000210193 [0,1,0,0,0,0|1,0,2]=4 1182 B9R0.5 C=CCCCC(=O)C#CC 1458a_100000763181_100000757094 [0,1,0,0,0,0|0,0,3]=4 1183 B9R0.5 C=CCCCC(=O)C=CBr 1458a_100016273825_100000757094 [0,1,0,0,0,0|1,0,1]=3 1184 B9R0.5 C=CCCCC(=O)C=CC 1458a_100000210699_100000757094 [0,1,0,0,0,0|0,0,1]=2 1185 B9R0.5 C=CCCCC(=O)C=CCl 1458a_200016279998_100000757094 [0,1,0,0,0,0|1,0,1]=3 1186 B9R0.5 C=CCCCC(=O)C=CI 1458a_100016256311_100000757094 [0,1,0,0,0,0|1,0,1]=3 1187 B9R0.5 C=CCCCC(=O)CC=C 1458a_100000210193_100000757094 [0,1,0,0,0,0|0,0,3]=4 1188 B9R0.5 C=CCCCC(=O)CC=C 1458a_100000766728_100000210623 [0,1,0,0,0,0|0,0,3]=4 1189 B9R0.5 C=CCCCC(=O)CCC 1458a_100000211992_100000757094 [0,1,0,0,0,0|0,0,3]=4 1190 B9R0.5 C=CCCCC(=O)CCC 1458a_100000766728_100000210303 [0,1,0,0,0,0|0,0,3]=4 1191 B9R0.5 C=CCCCC(=O)COC 1458a_100000210968_100000757094 [0,1,0,0,0,0|1,0,2]=4 1192 B9R0.5 C=CCCCC(=O)CSC 1458a_100000184570_100000757094 [0,1,0,0,0,0|1,0,2]=4 1193 B9R0.5 C=CCCCC(=O)NCC 11a_100015525214_100000766728 [0,1,0,0,0,0|1,0,2]=4 1194 B9R0.5 C=CCCCC(=O)NCC 240690a_100015525214_100000766728 [0,1,0,0,0,0|1,0,2]=4 1195 B9R0.5 C=CCCCC(=O)NCC 527a_100015525214_100000766728 [0,1,0,0,0,0|1,0,2]=4 1196 B9R0.5 C=CCCCC(=O)NNC 22a_100016993582_100000766728 [0,1,0,0,0,0|2,0,1]=4 1197 B9R0.5 C=CCCNC(=O)C=CBr 1626a_100015191253_100016273825 [0,1,0,0,0,0|1,0,2]=4 1198 B9R0.5 C=CCCNC(=O)C=CBr 240690a_100015191253_100016273825 [0,1,0,0,0,0|1,0,2]=4 1199 B9R0.5 C=CCCNC(=O)C=CC 11a_100015191253_100000210699 [0,1,0,0,0,0|0,0,2]=3 1200 B9R0.5 C=CCCNC(=O)C=CC 1626a_100015191253_100000210699 [0,1,0,0,0,0|0,0,2]=3 1201 B9R0.5 C=CCCNC(=O)C=CC 240690a_100015191253_100000210699 [0,1,0,0,0,0|0,0,2]=3 1202 B9R0.5 C=CCCNC(=O)C=CCl 11a_100015191253_200016279998 [0,1,0,0,0,0|1,0,2]=4 1203 B9R0.5 C=CCCNC(=O)C=CCl 1626a_100015191253_200016279998 [0,1,0,0,0,0|1,0,2]=4 1204 B9R0.5 C=CCCNC(=O)C=CCl 240690a_100015191253_200016279998 [0,1,0,0,0,0|1,0,2]=4 1205 B9R0.5 C=CCCNC(=O)C=CI 1626a_100015191253_100016256311 [0,1,0,0,0,0|1,0,2]=4 1206 B9R0.5 C=CCNNC(=O)C=CC 22a_100020588587_100000210699 [0,1,0,0,0,0|1,0,2]=4 1207 B9R0.5 C=COC(=O)CNCCF 34a_100000724931_100000036128 [0,1,0,0,0,0|2,0,1]=4 1208 B9R0.5 C=COC(=O)CNCCO 2230a_100016997473_100000036128 [0,1,0,0,0,0|2,0,1]=4 1209 B9R0.5 C=COC(=O)CNCCO 34a_100016990907_100000036128 [0,1,0,0,0,0|2,0,1]=4 1210 B9R0.5 C=COC(=O)COCCBr 34a_100000211926_100000036128 [0,1,0,0,0,0|2,0,1]=4 1211 B9R0.5 C=COC(=O)COCCC 34a_100000210258_100000036128 [0,1,0,0,0,0|1,0,1]=3 1212 B9R0.5 C=COC(=O)COCCN 34a_100000210304_100000036128 [0,1,0,0,0,0|2,0,1]=4 1213 B9R0.5 C=COC(=O)CSCCC 62a_100000036128_100000210303 [0,1,0,0,0,0|1,0,1]=3 1214 B9R0.5 C=COC(=O)CSCCC 62a_100000210303_100000036128 [0,1,0,0,0,0|1,0,1]=3 1215 B9R0.5 C=COC(=O)CSCCF 62a_100000036128_100011217306 [0,1,0,0,0,0|2,0,1]=4 1216 B9R0.5 C=COC(=O)CSCCF 62a_100011217306_100000036128 [0,1,0,0,0,0|2,0,1]=4 1217 B9R0.5 C=COC(=O)CSCCO 62a_100000036128_100000211926 [0,1,0,0,0,0|2,0,1]=4 1218 B9R0.5 C=COC(=O)CSCCO 62a_100000211926_100000036128 [0,1,0,0,0,0|2,0,1]=4 1219 B9R0.5 C=COC(=O)CSCOC 62a_100000036128_100000766300 [0,1,0,0,0,0|2,0,1]=4 1220 B9R0.5 C=COC(=O)CSCOC 62a_100000766300_100000036128 [0,1,0,0,0,0|2,0,1]=4 1221 B9R0.5 C=COC(=O)CSCSC 62a_100000036128_100011218213 [0,1,0,0,0,0|2,0,1]=4 1222 B9R0.5 C=COC(=O)CSCSC 62a_100011218213_100000036128 [0,1,0,0,0,0|2,0,1]=4 1223 B9R0.5 C=COCCC(=O)C=CBr 1458a_100016273825_100000039644 [0,1,0,0,0,0|1,0,2]=4 1224 B9R0.5 C=COCCC(=O)C=CC 1458a_100000210699_100000039644 [0,1,0,0,0,0|0,0,2]=3 1225 B9R0.5 C=COCCC(=O)C=CCl 1458a_200016279998_100000039644 [0,1,0,0,0,0|1,0,2]=4 1226 B9R0.5 C=COCCC(=O)C=CI 1458a_100016256311_100000039644 [0,1,0,0,0,0|1,0,2]=4 1227 B9R0.5 CC#CC(=O)C/C=C\CC 1458a_100000763181_100103147603 [0,1,0,0,0,0|0,0,3]=4 1228 B9R0.5 CC#CC(=O)CC#CCC 1458a_100000763181_100009813939 [0,1,0,0,0,0|0,0,3]=4 1229 B9R0.5 CC#CC(=O)CCCC#N 1458a_100000763181_100000211468 [0,1,0,0,0,0|0,0,3]=4 1230 B9R0.5 CC#CC(=O)CCCCC 1458a_100000763181_100000210326 [0,1,0,0,0,0|0,0,2]=3 1231 B9R0.5 CC#CC(=O)CCCCF 1458a_100000763181_100000729493 [0,1,0,0,0,0|0,0,2]=3 1232 B9R0.5 CC#CC(=O)CCCCO 1458a_100000763181_100000210776 [0,1,0,0,0,0|0,0,2]=3 1233 B9R0.5 CC#CC(=O)CCCOC 1458a_100000763181_100000740836 [0,1,0,0,0,0|0,0,2]=3 1234 B9R0.5 CC#CC(=O)CCOCC 1458a_100000763181_100011215890 [0,1,0,0,0,0|0,0,2]=3 1235 B9R0.5 CC#CC(=O)CCSCC 1458a_100000763181_100000757381 [0,1,0,0,0,0|0,0,2]=3 1236 B9R0.5 CC#CC(=O)NNCCC 22a_100000740057_100000763181 [0,1,0,0,0,0|1,0,2]=4 1237 B9R0.5 CC#CCNC(=O)C=CBr 1626a_100000685387_100016273825 [0,1,0,0,0,0|1,0,2]=4 1238 B9R0.5 CC#CCNC(=O)C=CC 11a_100000685387_100000210699 [0,1,0,0,0,0|0,0,2]=3 1239 B9R0.5 CC#CCNC(=O)C=CC 1626a_100000685387_100000210699 [0,1,0,0,0,0|0,0,2]=3 1240 B9R0.5 CC#CCNC(=O)C=CCl 11a_100000685387_200016279998 [0,1,0,0,0,0|1,0,2]=4 1241 B9R0.5 CC#CCNC(=O)C=CCl 1626a_100000685387_200016279998 [0,1,0,0,0,0|1,0,2]=4 1242 B9R0.5 CC#CCNC(=O)C=CI 1626a_100000685387_100016256311 [0,1,0,0,0,0|1,0,2]=4 1243 B9R0.5 CC/C=C/CC(=O)CCC 1458a_100016274230_100000210303 [0,1,0,0,0,0|0,0,3]=4 1244 B9R0.5 CC/C=C/CC(=O)NCC 11a_100015525214_100016274230 [0,1,0,0,0,0|1,0,2]=4 1245 B9R0.5 CC/C=C/CC(=O)NCC 240690a_100015525214_100016274230 [0,1,0,0,0,0|1,0,2]=4 1246 B9R0.5 CC/C=C/CC(=O)NCC 527a_100015525214_100016274230 [0,1,0,0,0,0|1,0,2]=4 1247 B9R0.5 CC/C=C/CC(=O)NNC 22a_100016993582_100016274230 [0,1,0,0,0,0|2,0,1]=4 1248 B9R0.5 CC/C=C\CC(=O)C=CBr 1458a_100016273825_100103147603 [0,1,0,0,0,0|1,0,1]=3 1249 B9R0.5 CC/C=C\CC(=O)C=CCl 1458a_200016279998_100103147603 [0,1,0,0,0,0|1,0,1]=3 1250 B9R0.5 CC/C=C\CC(=O)C=CI 1458a_100016256311_100103147603 [0,1,0,0,0,0|1,0,1]=3 1251 B9R0.5 CC/C=C\CC(=O)CCC 1458a_100000211992_100103147603 [0,1,0,0,0,0|0,0,3]=4 1252 B9R0.5 CC/C=C\CC(=O)COC 1458a_100000210968_100103147603 [0,1,0,0,0,0|1,0,2]=4 1253 B9R0.5 CC/C=C\CC(=O)CSC 1458a_100000184570_100103147603 [0,1,0,0,0,0|1,0,2]=4 1254 B9R0.5 CC=CC(=NNCCC)C 4a_100000740057_100011218416 [0,1,0,0,0,0|2,0,0]=3 1255 B9R0.5 CC=CC(=NNCCO)C 4a_100000210001_100011218416 [0,1,0,0,0,0|3,0,0]=4 1256 B9R0.5 CC=CC(=O)C/C=C\CC 1458a_100000210699_100103147603 [0,1,0,0,0,0|0,0,1]=2 1257 B9R0.5 CC=CC(=O)CC#CCC 1458a_100000210699_100009813939 [0,1,0,0,0,0|0,0,1]=2 1258 B9R0.5 CC=CC(=O)CC#CCO 1458a_100000210699_200000047223 [0,1,0,0,0,0|0,0,2]=3 1259 B9R0.5 CC=CC(=O)CCCC#N 1458a_100000210699_100000211468 [0,1,0,0,0,0|0,0,1]=2 1260 B9R0.5 CC=CC(=O)CCCCC 1458a_100000210699_100000210326 [0,1,0,0,0,0|0,0,0]=1 1261 B9R0.5 CC=CC(=O)CCCCF 1458a_100000210699_100000729493 [0,1,0,0,0,0|0,0,0]=1 1262 B9R0.5 CC=CC(=O)CCCCO 1458a_100000210699_100000210776 [0,1,0,0,0,0|0,0,0]=1 1263 B9R0.5 CC=CC(=O)CCCOC 1458a_100000210699_100000740836 [0,1,0,0,0,0|0,0,0]=1 1264 B9R0.5 CC=CC(=O)CCOCC 1458a_100000210699_100011215890 [0,1,0,0,0,0|0,0,0]=1 1265 B9R0.5 CC=CC(=O)CCSCC 1458a_100000210699_100000757381 [0,1,0,0,0,0|0,0,0]=1 1266 B9R0.5 CC=CC(=O)NCCC#N 11a_100000720768_100000210699 [0,1,0,0,0,0|1,0,1]=3 1267 B9R0.5 CC=CC(=O)NCCC#N 1626a_100000720768_100000210699 [0,1,0,0,0,0|1,0,1]=3 1268 B9R0.5 CC=CC(=O)NCCC#N 240690a_100000720768_100000210699 [0,1,0,0,0,0|1,0,1]=3 1269 B9R0.5 CC=CC(=O)NCCCC 11a_100000102301_100000210699 [0,1,0,0,0,0|0,0,0]=1 1270 B9R0.5 CC=CC(=O)NCCCC 1626a_100000102301_100000210699 [0,1,0,0,0,0|0,0,0]=1 1271 B9R0.5 CC=CC(=O)NCCCC 240690a_100000102301_100000210699 [0,1,0,0,0,0|0,0,0]=1 1272 B9R0.5 CC=CC(=O)NCCCF 11a_100015189416_100000210699 [0,1,0,0,0,0|1,0,0]=2 1273 B9R0.5 CC=CC(=O)NCCCF 1626a_100015189416_100000210699 [0,1,0,0,0,0|1,0,0]=2 1274 B9R0.5 CC=CC(=O)NCCCF 240690a_100015189416_100000210699 [0,1,0,0,0,0|1,0,0]=2 1275 B9R0.5 CC=CC(=O)NCCCO 240690a_100000182051_100000210699 [0,1,0,0,0,0|1,0,0]=2 1276 B9R0.5 CC=CC(=O)NCCOC 1626a_100000209980_100000210699 [0,1,0,0,0,0|1,0,0]=2 1277 B9R0.5 CC=CC(=O)NCCOC 240690a_100000209980_100000210699 [0,1,0,0,0,0|1,0,0]=2 1278 B9R0.5 CC=CC(=O)NCCSC 11a_100020590264_100000210699 [0,1,0,0,0,0|1,0,0]=2 1279 B9R0.5 CC=CC(=O)NCCSC 1626a_100020590264_100000210699 [0,1,0,0,0,0|1,0,0]=2 1280 B9R0.5 CC=CC(=O)NCCSC 240690a_100020590264_100000210699 [0,1,0,0,0,0|1,0,0]=2 1281 B9R0.5 CC=CC(=O)NNCCC 22a_100000740057_100000210699 [0,1,0,0,0,0|1,0,0]=2 1282 B9R0.5 CC=CC(=O)NNCCO 22a_100000210001_100000210699 [0,1,0,0,0,0|2,0,0]=3 1283 B9R0.5 CCC#CCC(=O)C=CBr 1458a_100016273825_100009813939 [0,1,0,0,0,0|1,0,1]=3 1284 B9R0.5 CCC#CCC(=O)C=CCl 1458a_200016279998_100009813939 [0,1,0,0,0,0|1,0,1]=3 1285 B9R0.5 CCC#CCC(=O)C=CI 1458a_100016256311_100009813939 [0,1,0,0,0,0|1,0,1]=3 1286 B9R0.5 CCC#CCC(=O)CCC 1458a_100000211992_100009813939 [0,1,0,0,0,0|0,0,3]=4 1287 B9R0.5 CCC#CCC(=O)COC 1458a_100000210968_100009813939 [0,1,0,0,0,0|1,0,2]=4 1288 B9R0.5 CCC#CCC(=O)CSC 1458a_100000184570_100009813939 [0,1,0,0,0,0|1,0,2]=4 1289 B9R0.5 CCCC#CC(=O)CCC 1458a_200011218047_100000210303 [0,1,0,0,0,0|0,0,3]=4 1290 B9R0.5 CCCC#CC(=O)NCC 240690a_100015525214_200011218047 [0,1,0,0,0,0|1,0,2]=4 1291 B9R0.5 CCCC#CC(=O)NNC 22a_100016993582_200011218047 [0,1,0,0,0,0|2,0,1]=4 1292 B9R0.5 CCCC(=O)CCCC#N 1458a_100000075515_100000210303 [0,1,0,0,0,0|0,0,3]=4 1293 B9R0.5 CCCC(=O)CCCC#N 1458a_100000211992_100000211468 [0,1,0,0,0,0|0,0,3]=4 1294 B9R0.5 CCCC(=O)CCCCF 1458a_100000211992_100000729493 [0,1,0,0,0,0|0,0,2]=3 1295 B9R0.5 CCCC(=O)CCCCO 1458a_100000211992_100000210776 [0,1,0,0,0,0|0,0,2]=3 1296 B9R0.5 CCCC(=O)CCCCO 1458a_100000695505_100000210303 [0,1,0,0,0,0|0,0,2]=3 1297 B9R0.5 CCCC(=O)CCCOC 1458a_100000211992_100000740836 [0,1,0,0,0,0|0,0,2]=3 1298 B9R0.5 CCCC(=O)CCCOC 1458a_100000741012_100000210303 [0,1,0,0,0,0|0,0,2]=3 1299 B9R0.5 CCCC(=O)CCCSC 1458a_100000173376_100000210303 [0,1,0,0,0,0|0,0,2]=3 1300 B9R0.5 CCCC(=O)CCOCC 1458a_100000211992_100011215890 [0,1,0,0,0,0|0,0,2]=3 1301 B9R0.5 CCCC(=O)CCOCC 1458a_100000749530_100000210303 [0,1,0,0,0,0|0,0,2]=3 1302 B9R0.5 CCCC(=O)CCSCC 1458a_100000211992_100000757381 [0,1,0,0,0,0|0,0,2]=3 1303 B9R0.5 CCCC(=O)CCSCC 1458a_100000230768_100000210303 [0,1,0,0,0,0|0,0,2]=3 1304 B9R0.5 CCCC(=O)CNCCO 2230a_100016997473_100000747444 [0,1,0,0,0,0|1,0,2]=4 1305 B9R0.5 CCCC(=O)COCCO 1458a_100000708028_100000210303 [0,1,0,0,0,0|1,0,2]=4 1306 B9R0.5 CCCC(=O)CSCCF 62a_100000747444_100011217306 [0,1,0,0,0,0|1,0,2]=4 1307 B9R0.5 CCCC(=O)CSCCF 62a_100011217306_100000747444 [0,1,0,0,0,0|1,0,2]=4 1308 B9R0.5 CCCC(=O)CSCCO 62a_100000211926_100000747444 [0,1,0,0,0,0|1,0,2]=4 1309 B9R0.5 CCCC(=O)CSCCO 62a_100000747444_100000211926 [0,1,0,0,0,0|1,0,2]=4 1310 B9R0.5 CCCC(=O)CSCOC 62a_100000747444_100000766300 [0,1,0,0,0,0|1,0,2]=4 1311 B9R0.5 CCCC(=O)CSCOC 62a_100000766300_100000747444 [0,1,0,0,0,0|1,0,2]=4 1312 B9R0.5 CCCC(=O)CSCSC 62a_100000747444_100011218213 [0,1,0,0,0,0|1,0,2]=4 1313 B9R0.5 CCCC(=O)CSCSC 62a_100011218213_100000747444 [0,1,0,0,0,0|1,0,2]=4 1314 B9R0.5 CCCC(=O)NCCCF 11a_100015189416_100000211992 [0,1,0,0,0,0|1,0,2]=4 1315 B9R0.5 CCCC(=O)NCCCF 1626a_100015189416_100000211992 [0,1,0,0,0,0|1,0,2]=4 1316 B9R0.5 CCCC(=O)NCCCF 240690a_100015189416_100000211992 [0,1,0,0,0,0|1,0,2]=4 1317 B9R0.5 CCCC(=O)NCCCF 527a_100015189416_100000211992 [0,1,0,0,0,0|1,0,2]=4 1318 B9R0.5 CCCC(=O)NCCCO 240690a_100000182051_100000211992 [0,1,0,0,0,0|1,0,2]=4 1319 B9R0.5 CCCC(=O)NCCCO 527a_100000182051_100000211992 [0,1,0,0,0,0|1,0,2]=4 1320 B9R0.5 CCCC(=O)NCCOC 1626a_100000209980_100000211992 [0,1,0,0,0,0|1,0,2]=4 1321 B9R0.5 CCCC(=O)NCCOC 240690a_100000209980_100000211992 [0,1,0,0,0,0|1,0,2]=4 1322 B9R0.5 CCCC(=O)NCCOC 527a_100000209980_100000211992 [0,1,0,0,0,0|1,0,2]=4 1323 B9R0.5 CCCC(=O)NCCSC 11a_100020590264_100000211992 [0,1,0,0,0,0|1,0,2]=4 1324 B9R0.5 CCCC(=O)NCCSC 1626a_100020590264_100000211992 [0,1,0,0,0,0|1,0,2]=4 1325 B9R0.5 CCCC(=O)NCCSC 240690a_100020590264_100000211992 [0,1,0,0,0,0|1,0,2]=4 1326 B9R0.5 CCCC(=O)NCCSC 527a_100020590264_100000211992 [0,1,0,0,0,0|1,0,2]=4 1327 B9R0.5 CCCC(=O)OCNCC 2230a_100015525214_100000034017 [0,1,0,0,0,0|1,0,2]=4 1328 B9R0.5 CCCC(=O)OCOCC 34a_100121572206_100000034017 [0,1,0,0,0,0|1,0,2]=4 1329 B9R0.5 CCCC(=O)OCSCC 62a_100000210202_100000034017 [0,1,0,0,0,0|1,0,2]=4 1330 B9R0.5 CCCC=CC(=O)CCC 1458a_100000212230_100000210303 [0,1,0,0,0,0|0,0,3]=4 1331 B9R0.5 CCCC=CC(=O)NCC 11a_100015525214_100000212230 [0,1,0,0,0,0|1,0,2]=4 1332 B9R0.5 CCCC=CC(=O)NCC 240690a_100015525214_100000212230 [0,1,0,0,0,0|1,0,2]=4 1333 B9R0.5 CCCC=CC(=O)NNC 22a_100016993582_100000212230 [0,1,0,0,0,0|2,0,1]=4 1334 B9R0.5 CCCCCC(=O)C=CBr 1458a_100016273825_100000210326 [0,1,0,0,0,0|1,0,0]=2 1335 B9R0.5 CCCCCC(=O)C=CCl 1458a_200016279998_100000210326 [0,1,0,0,0,0|1,0,0]=2 1336 B9R0.5 CCCCCC(=O)C=CI 1458a_100016256311_100000210326 [0,1,0,0,0,0|1,0,0]=2 1337 B9R0.5 CCCCCC(=O)CC#N 1458a_100000212188_100011214920 [0,1,0,0,0,0|1,0,2]=4 1338 B9R0.5 CCCCCC(=O)CC#N 1458a_100051588842_100000210326 [0,1,0,0,0,0|1,0,2]=4 1339 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [0,1,0,0,0,0|0,0,2]=3 1340 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [0,1,0,0,0,0|0,0,2]=3 1341 B9R0.5 CCCCCC(=O)CCF 1458a_100000212188_100011217306 [0,1,0,0,0,0|1,0,2]=4 1342 B9R0.5 CCCCCC(=O)CCO 1458a_100000212188_100000211926 [0,1,0,0,0,0|1,0,2]=4 1343 B9R0.5 CCCCCC(=O)CCO 1458a_100011216618_100000210326 [0,1,0,0,0,0|1,0,2]=4 1344 B9R0.5 CCCCCC(=O)CNC 2230a_106832991635_200012276598 [0,1,0,0,0,0|1,0,1]=3 1345 B9R0.5 CCCCCC(=O)CNC 34a_100102657272_200012276598 [0,1,0,0,0,0|1,0,1]=3 1346 B9R0.5 CCCCCC(=O)CNC 7a_106832991635_200012276598 [0,1,0,0,0,0|1,0,1]=3 1347 B9R0.5 CCCCCC(=O)COC 1458a_100000210968_100000210326 [0,1,0,0,0,0|1,0,1]=3 1348 B9R0.5 CCCCCC(=O)COC 34a_100138415774_200012276598 [0,1,0,0,0,0|1,0,1]=3 1349 B9R0.5 CCCCCC(=O)CSC 1458a_100000184570_100000210326 [0,1,0,0,0,0|1,0,1]=3 1350 B9R0.5 CCCCCC(=O)CSC 62a_200000210301_200012276598 [0,1,0,0,0,0|1,0,1]=3 1351 B9R0.5 CCCCCC(=O)CSC 62a_200012276598_200000210301 [0,1,0,0,0,0|1,0,1]=3 1352 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200012276598_200025704644 [0,1,0,0,0,0|1,0,1]=3 1353 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200025704644_200012276598 [0,1,0,0,0,0|1,0,1]=3 1354 B9R0.5 CCCCCC(=O)NCC 11a_100015525214_100000212188 [0,1,0,0,0,0|1,0,1]=3 1355 B9R0.5 CCCCCC(=O)NCC 240690a_100015525214_100000212188 [0,1,0,0,0,0|1,0,1]=3 1356 B9R0.5 CCCCCC(=O)NCC 527a_100015525214_100000212188 [0,1,0,0,0,0|1,0,1]=3 1357 B9R0.5 CCCCCC(=O)NNC 22a_100016993582_100000212188 [0,1,0,0,0,0|2,0,0]=3 1358 B9R0.5 CCCCNC(=O)C=CBr 1626a_100000102301_100016273825 [0,1,0,0,0,0|1,0,0]=2 1359 B9R0.5 CCCCNC(=O)C=CBr 240690a_100000102301_100016273825 [0,1,0,0,0,0|1,0,0]=2 1360 B9R0.5 CCCCNC(=O)C=CCl 11a_100000102301_200016279998 [0,1,0,0,0,0|1,0,0]=2 1361 B9R0.5 CCCCNC(=O)C=CCl 1626a_100000102301_200016279998 [0,1,0,0,0,0|1,0,0]=2 1362 B9R0.5 CCCCNC(=O)C=CCl 240690a_100000102301_200016279998 [0,1,0,0,0,0|1,0,0]=2 1363 B9R0.5 CCCCNC(=O)C=CI 1626a_100000102301_100016256311 [0,1,0,0,0,0|1,0,0]=2 1364 B9R0.5 CCCCNC(=O)CC#N 1626a_100000102301_100051588842 [0,1,0,0,0,0|1,0,2]=4 1365 B9R0.5 CCCCNC(=O)CC#N 240690a_100000102301_100051588842 [0,1,0,0,0,0|1,0,2]=4 1366 B9R0.5 CCCCNC(=O)CCC 11a_100000102301_100000211992 [0,1,0,0,0,0|0,0,2]=3 1367 B9R0.5 CCCCNC(=O)CCC 1626a_100000102301_100000211992 [0,1,0,0,0,0|0,0,2]=3 1368 B9R0.5 CCCCNC(=O)CCC 240690a_100000102301_100000211992 [0,1,0,0,0,0|0,0,2]=3 1369 B9R0.5 CCCCNC(=O)CCC 527a_100000102301_100000211992 [0,1,0,0,0,0|0,0,2]=3 1370 B9R0.5 CCCCNC(=O)CCO 240690a_100000102301_100011216618 [0,1,0,0,0,0|1,0,2]=4 1371 B9R0.5 CCCCNC(=O)CNC 2230a_106832991635_100000182744 [0,1,0,0,0,0|1,0,1]=3 1372 B9R0.5 CCCCNC(=O)CNC 34a_100102657272_100000182744 [0,1,0,0,0,0|1,0,1]=3 1373 B9R0.5 CCCCNC(=O)CNC 7a_106832991635_100000182744 [0,1,0,0,0,0|1,0,1]=3 1374 B9R0.5 CCCCNC(=O)COC 11a_100000102301_100000210968 [0,1,0,0,0,0|1,0,1]=3 1375 B9R0.5 CCCCNC(=O)COC 1626a_100000102301_100000210968 [0,1,0,0,0,0|1,0,1]=3 1376 B9R0.5 CCCCNC(=O)COC 240690a_100000102301_100000210968 [0,1,0,0,0,0|1,0,1]=3 1377 B9R0.5 CCCCNC(=O)COC 34a_100138415774_100000182744 [0,1,0,0,0,0|1,0,1]=3 1378 B9R0.5 CCCCNC(=O)COC 527a_100000102301_100000210968 [0,1,0,0,0,0|1,0,1]=3 1379 B9R0.5 CCCCNC(=O)CSC 11a_100000102301_100000184570 [0,1,0,0,0,0|1,0,1]=3 1380 B9R0.5 CCCCNC(=O)CSC 1626a_100000102301_100000184570 [0,1,0,0,0,0|1,0,1]=3 1381 B9R0.5 CCCCNC(=O)CSC 240690a_100000102301_100000184570 [0,1,0,0,0,0|1,0,1]=3 1382 B9R0.5 CCCCNC(=O)CSC 527a_100000102301_100000184570 [0,1,0,0,0,0|1,0,1]=3 1383 B9R0.5 CCCCNC(=O)CSC 62a_100000182744_200000210301 [0,1,0,0,0,0|1,0,1]=3 1384 B9R0.5 CCCCNC(=O)CSC 62a_200000210301_100000182744 [0,1,0,0,0,0|1,0,1]=3 1385 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_100000182744_200025704644 [0,1,0,0,0,0|1,0,1]=3 1386 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_200025704644_100000182744 [0,1,0,0,0,0|1,0,1]=3 1387 B9R0.5 CCCCNC(=O)NCC 2708a_100000102301_100015525214 [0,1,0,0,0,0|1,0,1]=3 1388 B9R0.5 CCCCNC(=O)NCC 2708a_100015525214_100000102301 [0,1,0,0,0,0|1,0,1]=3 1389 B9R0.5 CCCCNC(=O)NCC 273464a_100000102301_100015525214 [0,1,0,0,0,0|1,0,1]=3 1390 B9R0.5 CCCCNC(=O)NCC 273464a_100015525214_100000102301 [0,1,0,0,0,0|1,0,1]=3 1391 B9R0.5 CCCCNC(=O)NCC 512a_100000102301_100015525214 [0,1,0,0,0,0|1,0,1]=3 1392 B9R0.5 CCCCNC(=O)NCC 512a_100015525214_100000102301 [0,1,0,0,0,0|1,0,1]=3 1393 B9R0.5 CCCCNC(=O)NNC 273464a_100000102301_100016993582 [0,1,0,0,0,0|2,0,0]=3 1394 B9R0.5 CCCCNC(=O)NNC 512a_100000102301_100016993582 [0,1,0,0,0,0|2,0,0]=3 1395 B9R0.5 CCCCNC(=O)NNC 512a_100016993582_100000102301 [0,1,0,0,0,0|2,0,0]=3 1396 B9R0.5 CCCCOC(=O)CNC 2230a_106832991635_100000211628 [0,1,0,0,0,0|1,0,1]=3 1397 B9R0.5 CCCCOC(=O)CNC 34a_100102657272_100000211628 [0,1,0,0,0,0|1,0,1]=3 1398 B9R0.5 CCCCOC(=O)CNC 7a_106832991635_100000211628 [0,1,0,0,0,0|1,0,1]=3 1399 B9R0.5 CCCCOC(=O)COC 34a_100138415774_100000211628 [0,1,0,0,0,0|1,0,1]=3 1400 B9R0.5 CCCCOC(=O)CSC 62a_100000211628_200000210301 [0,1,0,0,0,0|1,0,1]=3 1401 B9R0.5 CCCCOC(=O)CSC 62a_200000210301_100000211628 [0,1,0,0,0,0|1,0,1]=3 1402 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_100000211628_200025704644 [0,1,0,0,0,0|1,0,1]=3 1403 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_200025704644_100000211628 [0,1,0,0,0,0|1,0,1]=3 1404 B9R0.5 CCCNCC(=O)NCC 2230a_100016988866_100000210303 [0,1,0,0,0,0|1,0,1]=3 1405 B9R0.5 CCCNNC(=O)CCC 22a_100000740057_100000211992 [0,1,0,0,0,0|1,0,2]=4 1406 B9R0.5 CCCNNC(=O)COC 22a_100000740057_100000210968 [0,1,0,0,0,0|2,0,1]=4 1407 B9R0.5 CCCNNC(=O)CSC 22a_100000740057_100000184570 [0,1,0,0,0,0|2,0,1]=4 1408 B9R0.5 CCCNNC(=O)NCC 273464a_100015525214_100000740057 [0,1,0,0,0,0|2,0,1]=4 1409 B9R0.5 CCCNNC(=O)NCC 512a_100000740057_100015525214 [0,1,0,0,0,0|2,0,1]=4 1410 B9R0.5 CCCNNC(=O)NCC 512a_100015525214_100000740057 [0,1,0,0,0,0|2,0,1]=4 1411 B9R0.5 CCCNNC(=O)NNC 512a_100000740057_100016993582 [0,1,0,0,0,0|3,0,0]=4 1412 B9R0.5 CCCNNC(=O)NNC 512a_100016993582_100000740057 [0,1,0,0,0,0|3,0,0]=4 1413 B9R0.5 CCCOCC(=O)CC#N 1458a_100000745993_100011214920 [0,1,0,0,0,0|1,0,2]=4 1414 B9R0.5 CCCOCC(=O)CCC 1458a_100000745993_100000210303 [0,1,0,0,0,0|0,0,2]=3 1415 B9R0.5 CCCOCC(=O)CCF 1458a_100000745993_100011217306 [0,1,0,0,0,0|1,0,2]=4 1416 B9R0.5 CCCOCC(=O)CCO 1458a_100000745993_100000211926 [0,1,0,0,0,0|1,0,2]=4 1417 B9R0.5 CCCOCC(=O)NCC 11a_100015525214_100000745993 [0,1,0,0,0,0|1,0,1]=3 1418 B9R0.5 CCCOCC(=O)NCC 240690a_100015525214_100000745993 [0,1,0,0,0,0|1,0,1]=3 1419 B9R0.5 CCCOCC(=O)NCC 34a_100000210258_100000183381 [0,1,0,0,0,0|1,0,1]=3 1420 B9R0.5 CCCOCC(=O)NCC 527a_100015525214_100000745993 [0,1,0,0,0,0|1,0,1]=3 1421 B9R0.5 CCCOCC(=O)NCO 34a_100000210258_100000185155 [0,1,0,0,0,0|2,0,1]=4 1422 B9R0.5 CCCOCC(=O)NNC 22a_100016993582_100000745993 [0,1,0,0,0,0|2,0,0]=3 1423 B9R0.5 CCCOCC(=O)OCC 34a_100000210258_100000188475 [0,1,0,0,0,0|1,0,1]=3 1424 B9R0.5 CCCSCC(=O)CC#N 1458a_100000217233_100011214920 [0,1,0,0,0,0|1,0,2]=4 1425 B9R0.5 CCCSCC(=O)CCC 1458a_100000217233_100000210303 [0,1,0,0,0,0|0,0,2]=3 1426 B9R0.5 CCCSCC(=O)CCC 62a_100000210303_100000747444 [0,1,0,0,0,0|0,0,2]=3 1427 B9R0.5 CCCSCC(=O)CCC 62a_100000747444_100000210303 [0,1,0,0,0,0|0,0,2]=3 1428 B9R0.5 CCCSCC(=O)CCF 1458a_100000217233_100011217306 [0,1,0,0,0,0|1,0,2]=4 1429 B9R0.5 CCCSCC(=O)CCO 1458a_100000217233_100000211926 [0,1,0,0,0,0|1,0,2]=4 1430 B9R0.5 CCCSCC(=O)NCC 11a_100015525214_100000217233 [0,1,0,0,0,0|1,0,1]=3 1431 B9R0.5 CCCSCC(=O)NCC 240690a_100015525214_100000217233 [0,1,0,0,0,0|1,0,1]=3 1432 B9R0.5 CCCSCC(=O)NCC 527a_100015525214_100000217233 [0,1,0,0,0,0|1,0,1]=3 1433 B9R0.5 CCCSCC(=O)NCC 62a_100000183381_100000210303 [0,1,0,0,0,0|1,0,1]=3 1434 B9R0.5 CCCSCC(=O)NCC 62a_100000210303_100000183381 [0,1,0,0,0,0|1,0,1]=3 1435 B9R0.5 CCCSCC(=O)NCO 62a_100000185155_100000210303 [0,1,0,0,0,0|2,0,1]=4 1436 B9R0.5 CCCSCC(=O)NCO 62a_100000210303_100000185155 [0,1,0,0,0,0|2,0,1]=4 1437 B9R0.5 CCCSCC(=O)NNC 22a_100016993582_100000217233 [0,1,0,0,0,0|2,0,0]=3 1438 B9R0.5 CCCSCC(=O)OCC 62a_100000188475_100000210303 [0,1,0,0,0,0|1,0,1]=3 1439 B9R0.5 CCCSCC(=O)OCC 62a_100000210303_100000188475 [0,1,0,0,0,0|1,0,1]=3 1440 B9R0.5 CCNC(=O)CCCC#N 11a_100015525214_100000075515 [0,1,0,0,0,0|1,0,2]=4 1441 B9R0.5 CCNC(=O)CCCC#N 240690a_100015525214_100000075515 [0,1,0,0,0,0|1,0,2]=4 1442 B9R0.5 CCNC(=O)CCCC#N 527a_100015525214_100000075515 [0,1,0,0,0,0|1,0,2]=4 1443 B9R0.5 CCNC(=O)CCCOC 11a_100015525214_100000741012 [0,1,0,0,0,0|1,0,1]=3 1444 B9R0.5 CCNC(=O)CCCOC 240690a_100015525214_100000741012 [0,1,0,0,0,0|1,0,1]=3 1445 B9R0.5 CCNC(=O)CCCOC 527a_100015525214_100000741012 [0,1,0,0,0,0|1,0,1]=3 1446 B9R0.5 CCNC(=O)CCCSC 11a_100015525214_100000173376 [0,1,0,0,0,0|1,0,1]=3 1447 B9R0.5 CCNC(=O)CCCSC 240690a_100015525214_100000173376 [0,1,0,0,0,0|1,0,1]=3 1448 B9R0.5 CCNC(=O)CCCSC 527a_100015525214_100000173376 [0,1,0,0,0,0|1,0,1]=3 1449 B9R0.5 CCNC(=O)CCNCF 34a_100025743525_100015361967 [0,1,0,0,0,0|2,0,1]=4 1450 B9R0.5 CCNC(=O)CCOCC 11a_100015525214_100000749530 [0,1,0,0,0,0|1,0,1]=3 1451 B9R0.5 CCNC(=O)CCOCC 240690a_100015525214_100000749530 [0,1,0,0,0,0|1,0,1]=3 1452 B9R0.5 CCNC(=O)CCOCC 527a_100015525214_100000749530 [0,1,0,0,0,0|1,0,1]=3 1453 B9R0.5 CCNC(=O)CCSCC 11a_100015525214_100000230768 [0,1,0,0,0,0|1,0,1]=3 1454 B9R0.5 CCNC(=O)CCSCC 240690a_100015525214_100000230768 [0,1,0,0,0,0|1,0,1]=3 1455 B9R0.5 CCNC(=O)CCSCC 527a_100015525214_100000230768 [0,1,0,0,0,0|1,0,1]=3 1456 B9R0.5 CCNC(=O)CCSCC 62a_100000210202_100000737597 [0,1,0,0,0,0|1,0,1]=3 1457 B9R0.5 CCNC(=O)CCSCC 62a_100000737597_100000210202 [0,1,0,0,0,0|1,0,1]=3 1458 B9R0.5 CCNC(=O)CCSCF 62a_100000737597_100015361967 [0,1,0,0,0,0|2,0,1]=4 1459 B9R0.5 CCNC(=O)CCSCF 62a_100015361967_100000737597 [0,1,0,0,0,0|2,0,1]=4 1460 B9R0.5 CCNC(=O)CNCCF 2230a_100016988866_100011217306 [0,1,0,0,0,0|2,0,1]=4 1461 B9R0.5 CCNC(=O)CNCCF 34a_100000724931_100000183381 [0,1,0,0,0,0|2,0,1]=4 1462 B9R0.5 CCNC(=O)CNCCO 2230a_100016988866_100000211926 [0,1,0,0,0,0|2,0,1]=4 1463 B9R0.5 CCNC(=O)CNCCO 2230a_100016997473_100000183381 [0,1,0,0,0,0|2,0,1]=4 1464 B9R0.5 CCNC(=O)CNCCO 34a_100016990907_100000183381 [0,1,0,0,0,0|2,0,1]=4 1465 B9R0.5 CCNC(=O)CNCOC 2230a_100016988866_100000766300 [0,1,0,0,0,0|2,0,1]=4 1466 B9R0.5 CCNC(=O)CNCSC 2230a_100016988866_100011218213 [0,1,0,0,0,0|2,0,1]=4 1467 B9R0.5 CCNC(=O)COCCBr 34a_100000211926_100000183381 [0,1,0,0,0,0|2,0,1]=4 1468 B9R0.5 CCNC(=O)COCCN 34a_100000210304_100000183381 [0,1,0,0,0,0|2,0,1]=4 1469 B9R0.5 CCNC(=O)COCCO 240690a_100015525214_100000708028 [0,1,0,0,0,0|2,0,1]=4 1470 B9R0.5 CCNC(=O)CSCCF 62a_100000183381_100011217306 [0,1,0,0,0,0|2,0,1]=4 1471 B9R0.5 CCNC(=O)CSCCF 62a_100011217306_100000183381 [0,1,0,0,0,0|2,0,1]=4 1472 B9R0.5 CCNC(=O)CSCCO 62a_100000183381_100000211926 [0,1,0,0,0,0|2,0,1]=4 1473 B9R0.5 CCNC(=O)CSCCO 62a_100000211926_100000183381 [0,1,0,0,0,0|2,0,1]=4 1474 B9R0.5 CCNC(=O)CSCOC 62a_100000183381_100000766300 [0,1,0,0,0,0|2,0,1]=4 1475 B9R0.5 CCNC(=O)CSCOC 62a_100000766300_100000183381 [0,1,0,0,0,0|2,0,1]=4 1476 B9R0.5 CCNC(=O)CSCSC 62a_100000183381_100011218213 [0,1,0,0,0,0|2,0,1]=4 1477 B9R0.5 CCNC(=O)CSCSC 62a_100011218213_100000183381 [0,1,0,0,0,0|2,0,1]=4 1478 B9R0.5 CCNC(=O)NCCCF 2708a_100015189416_100015525214 [0,1,0,0,0,0|2,0,1]=4 1479 B9R0.5 CCNC(=O)NCCCF 2708a_100015525214_100015189416 [0,1,0,0,0,0|2,0,1]=4 1480 B9R0.5 CCNC(=O)NCCCF 273464a_100015189416_100015525214 [0,1,0,0,0,0|2,0,1]=4 1481 B9R0.5 CCNC(=O)NCCCF 273464a_100015525214_100015189416 [0,1,0,0,0,0|2,0,1]=4 1482 B9R0.5 CCNC(=O)NCCCF 512a_100015189416_100015525214 [0,1,0,0,0,0|2,0,1]=4 1483 B9R0.5 CCNC(=O)NCCCF 512a_100015525214_100015189416 [0,1,0,0,0,0|2,0,1]=4 1484 B9R0.5 CCNC(=O)NCCCO 2708a_100015525214_100000182051 [0,1,0,0,0,0|2,0,1]=4 1485 B9R0.5 CCNC(=O)NCCCO 273464a_100000182051_100015525214 [0,1,0,0,0,0|2,0,1]=4 1486 B9R0.5 CCNC(=O)NCCCO 273464a_100015525214_100000182051 [0,1,0,0,0,0|2,0,1]=4 1487 B9R0.5 CCNC(=O)NCCCO 512a_100015525214_100000182051 [0,1,0,0,0,0|2,0,1]=4 1488 B9R0.5 CCNC(=O)NCCOC 2708a_100015525214_100000209980 [0,1,0,0,0,0|2,0,1]=4 1489 B9R0.5 CCNC(=O)NCCOC 273464a_100000209980_100015525214 [0,1,0,0,0,0|2,0,1]=4 1490 B9R0.5 CCNC(=O)NCCOC 273464a_100015525214_100000209980 [0,1,0,0,0,0|2,0,1]=4 1491 B9R0.5 CCNC(=O)NCCSC 2708a_100015525214_100020590264 [0,1,0,0,0,0|2,0,1]=4 1492 B9R0.5 CCNC(=O)NCCSC 2708a_100020590264_100015525214 [0,1,0,0,0,0|2,0,1]=4 1493 B9R0.5 CCNC(=O)NCCSC 273464a_100015525214_100020590264 [0,1,0,0,0,0|2,0,1]=4 1494 B9R0.5 CCNC(=O)NCCSC 273464a_100020590264_100015525214 [0,1,0,0,0,0|2,0,1]=4 1495 B9R0.5 CCNC(=O)NCCSC 512a_100015525214_100020590264 [0,1,0,0,0,0|2,0,1]=4 1496 B9R0.5 CCNC(=O)NCCSC 512a_100020590264_100015525214 [0,1,0,0,0,0|2,0,1]=4 1497 B9R0.5 CCNCCC(=O)NCC 2230a_100015525214_100000737597 [0,1,0,0,0,0|1,0,1]=3 1498 B9R0.5 CCNCCC(=O)NCC 34a_100025743525_100000210202 [0,1,0,0,0,0|1,0,1]=3 1499 B9R0.5 CCNCCC(=O)OCC 2230a_100015525214_100011206558 [0,1,0,0,0,0|1,0,1]=3 1500 B9R0.5 CCOC(=O)CCCNC 2230a_106832991635_100009991533 [0,1,0,0,0,0|1,0,1]=3 1501 B9R0.5 CCOC(=O)CCCNC 34a_100102657272_100009991533 [0,1,0,0,0,0|1,0,1]=3 1502 B9R0.5 CCOC(=O)CCCNC 7a_106832991635_100011215271 [0,1,0,0,0,0|1,0,1]=3 1503 B9R0.5 CCOC(=O)CCCOC 34a_100138415774_100009991533 [0,1,0,0,0,0|1,0,1]=3 1504 B9R0.5 CCOC(=O)CCCOC 7a_100012001163_200000210301 [0,1,0,0,0,0|1,0,1]=3 1505 B9R0.5 CCOC(=O)CCCO[13CH3] 7a_100012001163_200025704644 [0,1,0,0,0,0|1,0,1]=3 1506 B9R0.5 CCOC(=O)CCCSC 62a_100009991533_200000210301 [0,1,0,0,0,0|1,0,1]=3 1507 B9R0.5 CCOC(=O)CCCSC 62a_200000210301_100009991533 [0,1,0,0,0,0|1,0,1]=3 1508 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_100009991533_200025704644 [0,1,0,0,0,0|1,0,1]=3 1509 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_200025704644_100009991533 [0,1,0,0,0,0|1,0,1]=3 1510 B9R0.5 CCOC(=O)CCSCC 62a_100000210202_100000765890 [0,1,0,0,0,0|1,0,1]=3 1511 B9R0.5 CCOC(=O)CCSCC 62a_100000765890_100000210202 [0,1,0,0,0,0|1,0,1]=3 1512 B9R0.5 CCOC(=O)CCSCF 62a_100000765890_100015361967 [0,1,0,0,0,0|2,0,1]=4 1513 B9R0.5 CCOC(=O)CCSCF 62a_100015361967_100000765890 [0,1,0,0,0,0|2,0,1]=4 1514 B9R0.5 CCOC(=O)CNCCF 34a_100000724931_100000188475 [0,1,0,0,0,0|2,0,1]=4 1515 B9R0.5 CCOC(=O)CNCCO 2230a_100016997473_100000188475 [0,1,0,0,0,0|2,0,1]=4 1516 B9R0.5 CCOC(=O)CNCCO 34a_100016990907_100000188475 [0,1,0,0,0,0|2,0,1]=4 1517 B9R0.5 CCOC(=O)COCCBr 34a_100000211926_100000188475 [0,1,0,0,0,0|2,0,1]=4 1518 B9R0.5 CCOC(=O)COCCN 34a_100000210304_100000188475 [0,1,0,0,0,0|2,0,1]=4 1519 B9R0.5 CCOC(=O)CSCCF 62a_100000188475_100011217306 [0,1,0,0,0,0|2,0,1]=4 1520 B9R0.5 CCOC(=O)CSCCF 62a_100011217306_100000188475 [0,1,0,0,0,0|2,0,1]=4 1521 B9R0.5 CCOC(=O)CSCCO 62a_100000188475_100000211926 [0,1,0,0,0,0|2,0,1]=4 1522 B9R0.5 CCOC(=O)CSCCO 62a_100000211926_100000188475 [0,1,0,0,0,0|2,0,1]=4 1523 B9R0.5 CCOC(=O)CSCOC 62a_100000188475_100000766300 [0,1,0,0,0,0|2,0,1]=4 1524 B9R0.5 CCOC(=O)CSCOC 62a_100000766300_100000188475 [0,1,0,0,0,0|2,0,1]=4 1525 B9R0.5 CCOC(=O)CSCSC 62a_100000188475_100011218213 [0,1,0,0,0,0|2,0,1]=4 1526 B9R0.5 CCOC(=O)CSCSC 62a_100011218213_100000188475 [0,1,0,0,0,0|2,0,1]=4 1527 B9R0.5 CCOC(=O)NCCNC 7a_106832991635_200011445536 [0,1,0,0,0,0|2,0,1]=4 1528 B9R0.5 CCOC(=O)NCCOC 34a_100000158857_200000210301 [0,1,0,0,0,0|2,0,1]=4 1529 B9R0.5 CCOC(=O)NCCO[13CH3] 34a_100000158857_200025704644 [0,1,0,0,0,0|2,0,1]=4 1530 B9R0.5 CCOC(=O)NCCSC 62a_200000210301_200011445536 [0,1,0,0,0,0|2,0,1]=4 1531 B9R0.5 CCOC(=O)NCCS[13CH3] 62a_200025704644_200011445536 [0,1,0,0,0,0|2,0,1]=4 1532 B9R0.5 CCOC(=O)OCSCC 62a_100000210202_100000075025 [0,1,0,0,0,0|2,0,1]=4 1533 B9R0.5 CCOCCC(=O)C=CBr 1458a_100016273825_100011215890 [0,1,0,0,0,0|1,0,0]=2 1534 B9R0.5 CCOCCC(=O)C=CCl 1458a_200016279998_100011215890 [0,1,0,0,0,0|1,0,0]=2 1535 B9R0.5 CCOCCC(=O)C=CI 1458a_100016256311_100011215890 [0,1,0,0,0,0|1,0,0]=2 1536 B9R0.5 CCOCCC(=O)CC#N 1458a_100000749530_100011214920 [0,1,0,0,0,0|1,0,2]=4 1537 B9R0.5 CCOCCC(=O)CC#N 1458a_100051588842_100011215890 [0,1,0,0,0,0|1,0,2]=4 1538 B9R0.5 CCOCCC(=O)CCF 1458a_100000749530_100011217306 [0,1,0,0,0,0|1,0,2]=4 1539 B9R0.5 CCOCCC(=O)CCO 1458a_100000749530_100000211926 [0,1,0,0,0,0|1,0,2]=4 1540 B9R0.5 CCOCCC(=O)CCO 1458a_100011216618_100011215890 [0,1,0,0,0,0|1,0,2]=4 1541 B9R0.5 CCOCCC(=O)COC 1458a_100000210968_100011215890 [0,1,0,0,0,0|1,0,1]=3 1542 B9R0.5 CCOCCC(=O)CSC 1458a_100000184570_100011215890 [0,1,0,0,0,0|1,0,1]=3 1543 B9R0.5 CCOCCC(=O)NNC 22a_100016993582_100000749530 [0,1,0,0,0,0|2,0,0]=3 1544 B9R0.5 CCOCCC(=O)OCC 34a_100121572206_100000765890 [0,1,0,0,0,0|1,0,1]=3 1545 B9R0.5 CCSCCC(=O)C=CBr 1458a_100016273825_100000757381 [0,1,0,0,0,0|1,0,0]=2 1546 B9R0.5 CCSCCC(=O)C=CCl 1458a_200016279998_100000757381 [0,1,0,0,0,0|1,0,0]=2 1547 B9R0.5 CCSCCC(=O)C=CI 1458a_100016256311_100000757381 [0,1,0,0,0,0|1,0,0]=2 1548 B9R0.5 CCSCCC(=O)CC#N 1458a_100000230768_100011214920 [0,1,0,0,0,0|1,0,2]=4 1549 B9R0.5 CCSCCC(=O)CC#N 1458a_100051588842_100000757381 [0,1,0,0,0,0|1,0,2]=4 1550 B9R0.5 CCSCCC(=O)CCF 1458a_100000230768_100011217306 [0,1,0,0,0,0|1,0,2]=4 1551 B9R0.5 CCSCCC(=O)CCO 1458a_100000230768_100000211926 [0,1,0,0,0,0|1,0,2]=4 1552 B9R0.5 CCSCCC(=O)CCO 1458a_100011216618_100000757381 [0,1,0,0,0,0|1,0,2]=4 1553 B9R0.5 CCSCCC(=O)COC 1458a_100000210968_100000757381 [0,1,0,0,0,0|1,0,1]=3 1554 B9R0.5 CCSCCC(=O)CSC 1458a_100000184570_100000757381 [0,1,0,0,0,0|1,0,1]=3 1555 B9R0.5 CCSCCC(=O)NNC 22a_100016993582_100000230768 [0,1,0,0,0,0|2,0,0]=3 1556 B9R0.5 CNCC(=O)NCCOC 2230a_100000754632_200000210301 [0,1,0,0,0,0|2,0,1]=4 1557 B9R0.5 CNCC(=O)NCCOC 2230a_106832991635_100000183275 [0,1,0,0,0,0|2,0,1]=4 1558 B9R0.5 CNCC(=O)NCCOC 34a_100102657272_100000183275 [0,1,0,0,0,0|2,0,1]=4 1559 B9R0.5 CNCC(=O)NCCOC 7a_106832991635_100000183275 [0,1,0,0,0,0|2,0,1]=4 1560 B9R0.5 CNCC(=O)OCCOC 2230a_106832991635_200000040189 [0,1,0,0,0,0|2,0,1]=4 1561 B9R0.5 CNCC(=O)OCCOC 34a_100102657272_200000040189 [0,1,0,0,0,0|2,0,1]=4 1562 B9R0.5 CNCC(=O)OCCOC 7a_106832991635_200000040189 [0,1,0,0,0,0|2,0,1]=4 1563 B9R0.5 CNNC(=O)CCCC#N 22a_100016993582_100000075515 [0,1,0,0,0,0|2,0,1]=4 1564 B9R0.5 CNNC(=O)CCCOC 22a_100016993582_100000741012 [0,1,0,0,0,0|2,0,0]=3 1565 B9R0.5 CNNC(=O)CCCSC 22a_100016993582_100000173376 [0,1,0,0,0,0|2,0,0]=3 1566 B9R0.5 CNNC(=O)NCCCF 273464a_100015189416_100016993582 [0,1,0,0,0,0|3,0,0]=4 1567 B9R0.5 CNNC(=O)NCCCF 512a_100015189416_100016993582 [0,1,0,0,0,0|3,0,0]=4 1568 B9R0.5 CNNC(=O)NCCCF 512a_100016993582_100015189416 [0,1,0,0,0,0|3,0,0]=4 1569 B9R0.5 CNNC(=O)NCCCO 273464a_100000182051_100016993582 [0,1,0,0,0,0|3,0,0]=4 1570 B9R0.5 CNNC(=O)NCCCO 512a_100016993582_100000182051 [0,1,0,0,0,0|3,0,0]=4 1571 B9R0.5 CNNC(=O)NCCOC 273464a_100000209980_100016993582 [0,1,0,0,0,0|3,0,0]=4 1572 B9R0.5 CNNC(=O)NCCSC 273464a_100020590264_100016993582 [0,1,0,0,0,0|3,0,0]=4 1573 B9R0.5 CNNC(=O)NCCSC 512a_100016993582_100020590264 [0,1,0,0,0,0|3,0,0]=4 1574 B9R0.5 CNNC(=O)NCCSC 512a_100020590264_100016993582 [0,1,0,0,0,0|3,0,0]=4 1575 B9R0.5 COCC(=O)CCCC#N 1458a_100000210968_100000211468 [0,1,0,0,0,0|1,0,2]=4 1576 B9R0.5 COCC(=O)CCCCF 1458a_100000210968_100000729493 [0,1,0,0,0,0|1,0,1]=3 1577 B9R0.5 COCC(=O)CCCCO 1458a_100000210968_100000210776 [0,1,0,0,0,0|1,0,1]=3 1578 B9R0.5 COCC(=O)NCCCF 11a_100015189416_100000210968 [0,1,0,0,0,0|2,0,1]=4 1579 B9R0.5 COCC(=O)NCCCF 1626a_100015189416_100000210968 [0,1,0,0,0,0|2,0,1]=4 1580 B9R0.5 COCC(=O)NCCCF 240690a_100015189416_100000210968 [0,1,0,0,0,0|2,0,1]=4 1581 B9R0.5 COCC(=O)NCCCF 527a_100015189416_100000210968 [0,1,0,0,0,0|2,0,1]=4 1582 B9R0.5 COCC(=O)NCCCO 240690a_100000182051_100000210968 [0,1,0,0,0,0|2,0,1]=4 1583 B9R0.5 COCC(=O)NCCCO 527a_100000182051_100000210968 [0,1,0,0,0,0|2,0,1]=4 1584 B9R0.5 COCC(=O)NCCSC 11a_100020590264_100000210968 [0,1,0,0,0,0|2,0,1]=4 1585 B9R0.5 COCC(=O)NCCSC 1626a_100020590264_100000210968 [0,1,0,0,0,0|2,0,1]=4 1586 B9R0.5 COCC(=O)NCCSC 240690a_100020590264_100000210968 [0,1,0,0,0,0|2,0,1]=4 1587 B9R0.5 COCC(=O)NCCSC 527a_100020590264_100000210968 [0,1,0,0,0,0|2,0,1]=4 1588 B9R0.5 COCCCC(=O)C=CBr 1458a_100016273825_100000740836 [0,1,0,0,0,0|1,0,0]=2 1589 B9R0.5 COCCCC(=O)C=CCl 1458a_200016279998_100000740836 [0,1,0,0,0,0|1,0,0]=2 1590 B9R0.5 COCCCC(=O)C=CI 1458a_100016256311_100000740836 [0,1,0,0,0,0|1,0,0]=2 1591 B9R0.5 COCCCC(=O)CC#N 1458a_100000741012_100011214920 [0,1,0,0,0,0|1,0,2]=4 1592 B9R0.5 COCCCC(=O)CC#N 1458a_100051588842_100000740836 [0,1,0,0,0,0|1,0,2]=4 1593 B9R0.5 COCCCC(=O)CCF 1458a_100000741012_100011217306 [0,1,0,0,0,0|1,0,2]=4 1594 B9R0.5 COCCCC(=O)CCO 1458a_100000741012_100000211926 [0,1,0,0,0,0|1,0,2]=4 1595 B9R0.5 COCCCC(=O)CCO 1458a_100011216618_100000740836 [0,1,0,0,0,0|1,0,2]=4 1596 B9R0.5 COCCCC(=O)COC 1458a_100000210968_100000740836 [0,1,0,0,0,0|1,0,1]=3 1597 B9R0.5 COCCCC(=O)CSC 1458a_100000184570_100000740836 [0,1,0,0,0,0|1,0,1]=3 1598 B9R0.5 COCCNC(=O)C=CBr 1626a_100000209980_100016273825 [0,1,0,0,0,0|2,0,0]=3 1599 B9R0.5 COCCNC(=O)C=CBr 240690a_100000209980_100016273825 [0,1,0,0,0,0|2,0,0]=3 1600 B9R0.5 COCCNC(=O)C=CCl 1626a_100000209980_200016279998 [0,1,0,0,0,0|2,0,0]=3 1601 B9R0.5 COCCNC(=O)C=CCl 240690a_100000209980_200016279998 [0,1,0,0,0,0|2,0,0]=3 1602 B9R0.5 COCCNC(=O)C=CI 1626a_100000209980_100016256311 [0,1,0,0,0,0|2,0,0]=3 1603 B9R0.5 COCCNC(=O)CN[13CH3] 2230a_100000754632_200025704644 [0,1,0,0,0,0|2,0,1]=4 1604 B9R0.5 COCCNC(=O)COC 1626a_100000209980_100000210968 [0,1,0,0,0,0|2,0,1]=4 1605 B9R0.5 COCCNC(=O)COC 240690a_100000209980_100000210968 [0,1,0,0,0,0|2,0,1]=4 1606 B9R0.5 COCCNC(=O)COC 34a_100138415774_100000183275 [0,1,0,0,0,0|2,0,1]=4 1607 B9R0.5 COCCNC(=O)COC 527a_100000209980_100000210968 [0,1,0,0,0,0|2,0,1]=4 1608 B9R0.5 COCCNC(=O)CSC 1626a_100000209980_100000184570 [0,1,0,0,0,0|2,0,1]=4 1609 B9R0.5 COCCNC(=O)CSC 240690a_100000209980_100000184570 [0,1,0,0,0,0|2,0,1]=4 1610 B9R0.5 COCCNC(=O)CSC 527a_100000209980_100000184570 [0,1,0,0,0,0|2,0,1]=4 1611 B9R0.5 COCCNC(=O)CSC 62a_100000183275_200000210301 [0,1,0,0,0,0|2,0,1]=4 1612 B9R0.5 COCCNC(=O)CSC 62a_200000210301_100000183275 [0,1,0,0,0,0|2,0,1]=4 1613 B9R0.5 COCCNC(=O)CS[13CH3] 62a_100000183275_200025704644 [0,1,0,0,0,0|2,0,1]=4 1614 B9R0.5 COCCNC(=O)CS[13CH3] 62a_200025704644_100000183275 [0,1,0,0,0,0|2,0,1]=4 1615 B9R0.5 COCCOC(=O)COC 34a_100138415774_200000040189 [0,1,0,0,0,0|2,0,1]=4 1616 B9R0.5 COCCOC(=O)CSC 62a_200000040189_200000210301 [0,1,0,0,0,0|2,0,1]=4 1617 B9R0.5 COCCOC(=O)CSC 62a_200000210301_200000040189 [0,1,0,0,0,0|2,0,1]=4 1618 B9R0.5 COCCOC(=O)CS[13CH3] 62a_200000040189_200025704644 [0,1,0,0,0,0|2,0,1]=4 1619 B9R0.5 COCCOC(=O)CS[13CH3] 62a_200025704644_200000040189 [0,1,0,0,0,0|2,0,1]=4 1620 B9R0.5 CSCC(=O)CCCC#N 1458a_100000184570_100000211468 [0,1,0,0,0,0|1,0,2]=4 1621 B9R0.5 CSCC(=O)CCCCF 1458a_100000184570_100000729493 [0,1,0,0,0,0|1,0,1]=3 1622 B9R0.5 CSCC(=O)CCCCO 1458a_100000184570_100000210776 [0,1,0,0,0,0|1,0,1]=3 1623 B9R0.5 CSCC(=O)NCCCF 11a_100015189416_100000184570 [0,1,0,0,0,0|2,0,1]=4 1624 B9R0.5 CSCC(=O)NCCCF 1626a_100015189416_100000184570 [0,1,0,0,0,0|2,0,1]=4 1625 B9R0.5 CSCC(=O)NCCCF 240690a_100015189416_100000184570 [0,1,0,0,0,0|2,0,1]=4 1626 B9R0.5 CSCC(=O)NCCCF 527a_100015189416_100000184570 [0,1,0,0,0,0|2,0,1]=4 1627 B9R0.5 CSCC(=O)NCCCO 240690a_100000182051_100000184570 [0,1,0,0,0,0|2,0,1]=4 1628 B9R0.5 CSCC(=O)NCCCO 527a_100000182051_100000184570 [0,1,0,0,0,0|2,0,1]=4 1629 B9R0.5 CSCCCC(=O)CC#N 1458a_100000173376_100011214920 [0,1,0,0,0,0|1,0,2]=4 1630 B9R0.5 CSCCCC(=O)CCF 1458a_100000173376_100011217306 [0,1,0,0,0,0|1,0,2]=4 1631 B9R0.5 CSCCCC(=O)CCO 1458a_100000173376_100000211926 [0,1,0,0,0,0|1,0,2]=4 1632 B9R0.5 CSCCNC(=O)C=CBr 1626a_100020590264_100016273825 [0,1,0,0,0,0|2,0,0]=3 1633 B9R0.5 CSCCNC(=O)C=CBr 240690a_100020590264_100016273825 [0,1,0,0,0,0|2,0,0]=3 1634 B9R0.5 CSCCNC(=O)C=CCl 11a_100020590264_200016279998 [0,1,0,0,0,0|2,0,0]=3 1635 B9R0.5 CSCCNC(=O)C=CCl 1626a_100020590264_200016279998 [0,1,0,0,0,0|2,0,0]=3 1636 B9R0.5 CSCCNC(=O)C=CCl 240690a_100020590264_200016279998 [0,1,0,0,0,0|2,0,0]=3 1637 B9R0.5 CSCCNC(=O)C=CI 1626a_100020590264_100016256311 [0,1,0,0,0,0|2,0,0]=3 1638 B9R0.5 CSCCNC(=O)CSC 11a_100020590264_100000184570 [0,1,0,0,0,0|2,0,1]=4 1639 B9R0.5 CSCCNC(=O)CSC 1626a_100020590264_100000184570 [0,1,0,0,0,0|2,0,1]=4 1640 B9R0.5 CSCCNC(=O)CSC 240690a_100020590264_100000184570 [0,1,0,0,0,0|2,0,1]=4 1641 B9R0.5 CSCCNC(=O)CSC 527a_100020590264_100000184570 [0,1,0,0,0,0|2,0,1]=4 1642 B9R0.5 N#CCC(=O)CCCCF 1458a_100051588842_100000729493 [0,1,0,0,0,0|1,0,2]=4 1643 B9R0.5 N#CCC(=O)CCCCO 1458a_100000695505_100011214920 [0,1,0,0,0,0|1,0,2]=4 1644 B9R0.5 N#CCC(=O)CCCCO 1458a_100051588842_100000210776 [0,1,0,0,0,0|1,0,2]=4 1645 B9R0.5 N#CCCCC(=O)C=CBr 1458a_100016273825_100000211468 [0,1,0,0,0,0|1,0,1]=3 1646 B9R0.5 N#CCCCC(=O)C=CCl 1458a_200016279998_100000211468 [0,1,0,0,0,0|1,0,1]=3 1647 B9R0.5 N#CCCCC(=O)C=CI 1458a_100016256311_100000211468 [0,1,0,0,0,0|1,0,1]=3 1648 B9R0.5 N#CCCNC(=O)C=CBr 1626a_100000720768_100016273825 [0,1,0,0,0,0|2,0,1]=4 1649 B9R0.5 N#CCCNC(=O)C=CBr 240690a_100000720768_100016273825 [0,1,0,0,0,0|2,0,1]=4 1650 B9R0.5 N#CCCNC(=O)C=CCl 11a_100000720768_200016279998 [0,1,0,0,0,0|2,0,1]=4 1651 B9R0.5 N#CCCNC(=O)C=CCl 1626a_100000720768_200016279998 [0,1,0,0,0,0|2,0,1]=4 1652 B9R0.5 N#CCCNC(=O)C=CCl 240690a_100000720768_200016279998 [0,1,0,0,0,0|2,0,1]=4 1653 B9R0.5 N#CCCNC(=O)C=CI 1626a_100000720768_100016256311 [0,1,0,0,0,0|2,0,1]=4 1654 B9R0.5 O=C(C=CBr)CC#CCO 1458a_100016273825_200000047223 [0,1,0,0,0,0|1,0,2]=4 1655 B9R0.5 O=C(C=CBr)CCCCF 1458a_100016273825_100000729493 [0,1,0,0,0,0|1,0,0]=2 1656 B9R0.5 O=C(C=CBr)CCCCO 1458a_100016273825_100000210776 [0,1,0,0,0,0|1,0,0]=2 1657 B9R0.5 O=C(C=CBr)NCCCF 1626a_100015189416_100016273825 [0,1,0,0,0,0|2,0,0]=3 1658 B9R0.5 O=C(C=CBr)NCCCF 240690a_100015189416_100016273825 [0,1,0,0,0,0|2,0,0]=3 1659 B9R0.5 O=C(C=CBr)NCCCO 240690a_100000182051_100016273825 [0,1,0,0,0,0|2,0,0]=3 1660 B9R0.5 O=C(C=CCl)CC#CCO 1458a_200016279998_200000047223 [0,1,0,0,0,0|1,0,2]=4 1661 B9R0.5 O=C(C=CCl)CCCCF 1458a_200016279998_100000729493 [0,1,0,0,0,0|1,0,0]=2 1662 B9R0.5 O=C(C=CCl)CCCCO 1458a_200016279998_100000210776 [0,1,0,0,0,0|1,0,0]=2 1663 B9R0.5 O=C(C=CCl)NCCCF 11a_100015189416_200016279998 [0,1,0,0,0,0|2,0,0]=3 1664 B9R0.5 O=C(C=CCl)NCCCF 1626a_100015189416_200016279998 [0,1,0,0,0,0|2,0,0]=3 1665 B9R0.5 O=C(C=CCl)NCCCF 240690a_100015189416_200016279998 [0,1,0,0,0,0|2,0,0]=3 1666 B9R0.5 O=C(C=CCl)NCCCO 240690a_100000182051_200016279998 [0,1,0,0,0,0|2,0,0]=3 1667 B9R0.5 O=C(C=CI)CC#CCO 1458a_100016256311_200000047223 [0,1,0,0,0,0|1,0,2]=4 1668 B9R0.5 O=C(C=CI)CCCCF 1458a_100016256311_100000729493 [0,1,0,0,0,0|1,0,0]=2 1669 B9R0.5 O=C(C=CI)CCCCO 1458a_100016256311_100000210776 [0,1,0,0,0,0|1,0,0]=2 1670 B9R0.5 O=C(C=CI)NCCCF 1626a_100015189416_100016256311 [0,1,0,0,0,0|2,0,0]=3 1671 B9R0.5 O=C(CCF)CCCCO 1458a_100000695505_100011217306 [0,1,0,0,0,0|1,0,2]=4 1672 B9R0.5 O=C(CCO)CCCCF 1458a_100011216618_100000729493 [0,1,0,0,0,0|1,0,2]=4 1673 B9R0.5 O=C(CCO)CCCCO 1458a_100000695505_100000211926 [0,1,0,0,0,0|1,0,2]=4 1674 B9R0.5 O=C(CCO)CCCCO 1458a_100011216618_100000210776 [0,1,0,0,0,0|1,0,2]=4 1675 B9R0.8 C#CC(C)C(=O)CCCC 1458a_100000210183_200000035995 [0,1,0,0,0,0|0,0,3]=4 1676 B9R0.8 C#CCCC(=O)/C(=C/C)/C 1458a_100020587367_100000753159 [0,1,0,0,0,0|0,0,2]=3 1677 B9R0.8 C#CCCC(=O)C(=O)NC 1458a_100011218921_100000753159 [0,1,0,0,0,0|1,0,2]=4 1678 B9R0.8 C#CCNC(=O)/C(=C/C)/C 11a_100000212058_100020587367 [0,1,0,0,0,0|1,0,2]=4 1679 B9R0.8 C#CCNC(=O)/C(=C/C)/C 1626a_100000212058_100020587367 [0,1,0,0,0,0|1,0,2]=4 1680 B9R0.8 C/C=C(\C)/C(=NNCC)C 4a_100000756455_100020675665 [0,1,0,0,0,0|3,0,0]=4 1681 B9R0.8 C/C=C(\C)/C(=O)CCC#N 1458a_100020587367_100011215226 [0,1,0,0,0,0|1,0,1]=3 1682 B9R0.8 C/C=C(\C)/C(=O)CCCC 1458a_100020587367_100000210211 [0,1,0,0,0,0|0,0,0]=1 1683 B9R0.8 C/C=C(\C)/C(=O)CCCF 1458a_100020587367_100011934791 [0,1,0,0,0,0|1,0,0]=2 1684 B9R0.8 C/C=C(\C)/C(=O)CCCO 1458a_100020587367_100011215043 [0,1,0,0,0,0|1,0,0]=2 1685 B9R0.8 C/C=C(\C)/C(=O)CCOC 1458a_100020587367_100000233755 [0,1,0,0,0,0|1,0,0]=2 1686 B9R0.8 C/C=C(\C)/C(=O)CCSC 1458a_100020587367_100000751147 [0,1,0,0,0,0|1,0,0]=2 1687 B9R0.8 C/C=C(\C)/C(=O)NCC#N 1626a_100000734998_100020587367 [0,1,0,0,0,0|2,0,1]=4 1688 B9R0.8 C/C=C(\C)/C(=O)NCCC 11a_100020643023_100020587367 [0,1,0,0,0,0|1,0,0]=2 1689 B9R0.8 C/C=C(\C)/C(=O)NCCC 1626a_100020643023_100020587367 [0,1,0,0,0,0|1,0,0]=2 1690 B9R0.8 C/C=C(\C)/C(=O)NCCF 11a_100000724931_100020587367 [0,1,0,0,0,0|2,0,0]=3 1691 B9R0.8 C/C=C(\C)/C(=O)NCCF 1626a_100000724931_100020587367 [0,1,0,0,0,0|2,0,0]=3 1692 B9R0.8 C/C=C(\C)/C(=O)NNCC 22a_100000756455_100020587367 [0,1,0,0,0,0|2,0,0]=3 1693 B9R0.8 C/C=C(\C)/C(C)NCCC 269862a_100020643023_100020675665 [0,1,0,0,0,0|2,0,1]=4 1694 B9R0.8 C/C=C/CC(=O)/C(=C/C)/C 1458a_100020587367_100102629194 [0,1,0,0,0,0|0,0,2]=3 1695 B9R0.8 C/C=C/CC(=O)C(=O)NC 1458a_100011218921_100102629194 [0,1,0,0,0,0|1,0,2]=4 1696 B9R0.8 C=C(COCC)C(=O)OC 34a_100121572206_100009813391 [0,1,0,0,0,0|3,0,0]=4 1697 B9R0.8 C=C(CSCC)C(=O)OC 62a_100000210202_100009813391 [0,1,0,0,0,0|3,0,0]=4 1698 B9R0.8 C=C(CSCC)C(=O)OC 62a_100009813391_100000210202 [0,1,0,0,0,0|3,0,0]=4 1699 B9R0.8 C=CC(=O)C(C)CCCC 1458a_100000185746_200011215066 [0,1,0,0,0,0|1,0,2]=4 1700 B9R0.8 C=CC(=O)N(C)CCCC 1626a_100000207549_100000185746 [0,1,0,0,0,0|2,0,1]=4 1701 B9R0.8 C=CC(=O)N(C)CCCC 240690a_100000207549_200121576911 [0,1,0,0,0,0|2,0,1]=4 1702 B9R0.8 C=CC(C)C(=O)CCCC 1458a_100011216780_100000210211 [0,1,0,0,0,0|0,0,2]=3 1703 B9R0.8 C=CC(C)C(=O)CCCF 1458a_100011216780_100011934791 [0,1,0,0,0,0|1,0,2]=4 1704 B9R0.8 C=CC(C)C(=O)CCCO 1458a_100011216780_100011215043 [0,1,0,0,0,0|1,0,2]=4 1705 B9R0.8 C=CC(C)C(=O)CCOC 1458a_100011216780_100000233755 [0,1,0,0,0,0|1,0,2]=4 1706 B9R0.8 C=CC(C)C(=O)CCSC 1458a_100011216780_100000751147 [0,1,0,0,0,0|1,0,2]=4 1707 B9R0.8 C=CC(C)C(=O)NCCC 11a_100020643023_100011216780 [0,1,0,0,0,0|1,0,2]=4 1708 B9R0.8 C=CC(C)C(=O)NCCC 1626a_100020643023_100011216780 [0,1,0,0,0,0|1,0,2]=4 1709 B9R0.8 C=CC(C)C(=O)NCCC 240690a_100020643023_100011216780 [0,1,0,0,0,0|1,0,2]=4 1710 B9R0.8 C=CC(C)C(=O)NCCC 527a_100020643023_100011216780 [0,1,0,0,0,0|1,0,2]=4 1711 B9R0.8 C=CCCC(=O)/C(=C/C)/C 1458a_100020587367_100000754431 [0,1,0,0,0,0|0,0,2]=3 1712 B9R0.8 C=CCCC(=O)C(=O)NC 1458a_100011218921_100000754431 [0,1,0,0,0,0|1,0,2]=4 1713 B9R0.8 C=CCNC(=O)/C(=C/C)/C 1626a_100020586998_100020587367 [0,1,0,0,0,0|1,0,2]=4 1714 B9R0.8 CC#CCC(=O)/C(=C/C)/C 1458a_100020587367_100000748600 [0,1,0,0,0,0|0,0,2]=3 1715 B9R0.8 CC#CCC(=O)C(=O)NC 1458a_100011218921_100000748600 [0,1,0,0,0,0|1,0,2]=4 1716 B9R0.8 CC=CCC(=O)/C(=C/C)/C 1458a_100020587367_100000070051 [0,1,0,0,0,0|0,0,2]=3 1717 B9R0.8 CC=CCC(=O)C(=O)NC 1458a_100011218921_100000070051 [0,1,0,0,0,0|1,0,2]=4 1718 B9R0.8 CCC(C)C(=O)CCCF 1458a_100011192722_100011934791 [0,1,0,0,0,0|1,0,2]=4 1719 B9R0.8 CCC(C)C(=O)CCCO 1458a_100011192722_100011215043 [0,1,0,0,0,0|1,0,2]=4 1720 B9R0.8 CCC(C)C(=O)CCOC 1458a_100000749529_100000758301 [0,1,0,0,0,0|1,0,2]=4 1721 B9R0.8 CCC(C)C(=O)CCOC 1458a_100011192722_100000233755 [0,1,0,0,0,0|1,0,2]=4 1722 B9R0.8 CCC(C)C(=O)CCSC 1458a_100000174002_100000758301 [0,1,0,0,0,0|1,0,2]=4 1723 B9R0.8 CCC(C)C(=O)CCSC 1458a_100011192722_100000751147 [0,1,0,0,0,0|1,0,2]=4 1724 B9R0.8 CCC(O)C(=O)CCCF 1458a_100011196387_100011934791 [0,1,0,0,0,0|1,0,2]=4 1725 B9R0.8 CCC(O)C(=O)CCCO 1458a_100011196387_100011215043 [0,1,0,0,0,0|1,0,2]=4 1726 B9R0.8 CCC(O)C(=O)CCOC 1458a_100011196387_100000233755 [0,1,0,0,0,0|1,0,2]=4 1727 B9R0.8 CCC(O)C(=O)CCSC 1458a_100011196387_100000751147 [0,1,0,0,0,0|1,0,2]=4 1728 B9R0.8 CCC/C=C(\C)/C(=O)CC 1458a_200020648666_100000210202 [0,1,0,0,0,0|1,0,2]=4 1729 B9R0.8 CCC/C=C(\C)/C(=O)NC 11a_106832991635_200020648666 [0,1,0,0,0,0|2,0,1]=4 1730 B9R0.8 CCC/C=C(\C)/C(=O)NC 1626a_100102657272_200020648666 [0,1,0,0,0,0|2,0,1]=4 1731 B9R0.8 CCC/C=C(\C)/C(=O)NC 240690a_100102657272_200020648666 [0,1,0,0,0,0|2,0,1]=4 1732 B9R0.8 CCCCC(=O)C(=O)NC 1458a_100011218921_100000210211 [0,1,0,0,0,0|1,0,0]=2 1733 B9R0.8 CCCCC(=O)C(C)C#N 1458a_100000210183_100000703298 [0,1,0,0,0,0|1,0,2]=4 1734 B9R0.8 CCCCC(=O)C(C)C#N 1458a_100000753662_100000210211 [0,1,0,0,0,0|1,0,2]=4 1735 B9R0.8 CCCCC(=O)C(C)CC 1458a_100000210183_100000758301 [0,1,0,0,0,0|0,0,2]=3 1736 B9R0.8 CCCCC(=O)C(C)CC 1458a_100011192722_100000210211 [0,1,0,0,0,0|0,0,2]=3 1737 B9R0.8 CCCCC(=O)C(C)OC 1458a_100000743197_100000210211 [0,1,0,0,0,0|1,0,1]=3 1738 B9R0.8 CCCCC(=O)C(C)SC 1458a_100000149566_100000210211 [0,1,0,0,0,0|1,0,1]=3 1739 B9R0.8 CCCCC(=O)C(O)CC 1458a_100011196387_100000210211 [0,1,0,0,0,0|0,0,2]=3 1740 B9R0.8 CCCCC(=O)C(O)CO 1458a_100011215603_100000210211 [0,1,0,0,0,0|1,0,2]=4 1741 B9R0.8 CCCCC(=O)N(C)CC 11a_100000225621_100000210183 [0,1,0,0,0,0|1,0,1]=3 1742 B9R0.8 CCCCC(=O)N(C)CC 1626a_100000225621_100000210183 [0,1,0,0,0,0|1,0,1]=3 1743 B9R0.8 CCCCC(=O)N(C)CC 240690a_100000225621_100000210183 [0,1,0,0,0,0|1,0,1]=3 1744 B9R0.8 CCCCC(=O)N(C)CC 527a_100000225621_100000210183 [0,1,0,0,0,0|1,0,1]=3 1745 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000210414_200011215066 [0,1,0,0,0,0|1,0,2]=4 1746 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000725509_100000210202 [0,1,0,0,0,0|1,0,2]=4 1747 B9R0.8 CCCCC(C)C(=O)NC 11a_106832991635_100000725509 [0,1,0,0,0,0|2,0,1]=4 1748 B9R0.8 CCCCC(C)C(=O)NC 1626a_100102657272_100000725509 [0,1,0,0,0,0|2,0,1]=4 1749 B9R0.8 CCCCC(C)C(=O)NC 240690a_100102657272_100000725509 [0,1,0,0,0,0|2,0,1]=4 1750 B9R0.8 CCCCC(C)C(=O)NC 527a_100102657272_100000725509 [0,1,0,0,0,0|2,0,1]=4 1751 B9R0.8 CCCCC(O)C(=O)CC 1458a_100000720857_100000210202 [0,1,0,0,0,0|0,0,3]=4 1752 B9R0.8 CCCCC(O)C(=O)NC 240690a_100102657272_100000720857 [0,1,0,0,0,0|1,0,2]=4 1753 B9R0.8 CCCCC(O)C(=O)NC 527a_100102657272_100000720857 [0,1,0,0,0,0|1,0,2]=4 1754 B9R0.8 CCCCN(C)C(=O)CC 11a_100000207549_100000210414 [0,1,0,0,0,0|2,0,1]=4 1755 B9R0.8 CCCCN(C)C(=O)CC 1626a_100000207549_100000210414 [0,1,0,0,0,0|2,0,1]=4 1756 B9R0.8 CCCCN(C)C(=O)CC 240690a_100000207549_100000210414 [0,1,0,0,0,0|2,0,1]=4 1757 B9R0.8 CCCCN(C)C(=O)CC 527a_100000207549_100000210414 [0,1,0,0,0,0|2,0,1]=4 1758 B9R0.8 CCCCN(C)C(=O)NC 2708a_100102657272_100000207549 [0,1,0,0,0,0|3,0,0]=4 1759 B9R0.8 CCCCN(C)C(=O)NC 273464a_100102657272_100000207549 [0,1,0,0,0,0|3,0,0]=4 1760 B9R0.8 CCCNC(=O)C(=O)CC 1458a_200011297150_100000210202 [0,1,0,0,0,0|1,0,1]=3 1761 B9R0.8 CCCNC(=O)C(=O)CF 1458a_200011297150_100015361967 [0,1,0,0,0,0|2,0,1]=4 1762 B9R0.8 CCCNC(=O)C(=O)NC 1626a_100020643023_100011218921 [0,1,0,0,0,0|2,0,0]=3 1763 B9R0.8 CCCNC(=O)C(=O)NC 1626a_100102657272_200011297150 [0,1,0,0,0,0|2,0,0]=3 1764 B9R0.8 CCCNC(=O)C(=O)NC 240690a_100020643023_100011218921 [0,1,0,0,0,0|2,0,0]=3 1765 B9R0.8 CCCNC(=O)C(=O)NC 240690a_100102657272_200011297150 [0,1,0,0,0,0|2,0,0]=3 1766 B9R0.8 CCCNC(=O)C(=O)NC 527a_100020643023_100011218921 [0,1,0,0,0,0|2,0,0]=3 1767 B9R0.8 CCCNC(=O)C(=O)NC 527a_100102657272_200011297150 [0,1,0,0,0,0|2,0,0]=3 1768 B9R0.8 CCCNC(=O)C(=O)OC 11a_100020643023_100000024059 [0,1,0,0,0,0|2,0,0]=3 1769 B9R0.8 CCCNC(=O)C(=O)OC 1626a_100020643023_100000024059 [0,1,0,0,0,0|2,0,0]=3 1770 B9R0.8 CCCNC(=O)C(=O)OC 240690a_100020643023_100000024059 [0,1,0,0,0,0|2,0,0]=3 1771 B9R0.8 CCCNC(=O)C(=O)OC 527a_100020643023_100000024059 [0,1,0,0,0,0|2,0,0]=3 1772 B9R0.8 CCCNC(=O)C(C)CC 11a_100020643023_100011192722 [0,1,0,0,0,0|1,0,2]=4 1773 B9R0.8 CCCNC(=O)C(C)CC 1626a_100020643023_100011192722 [0,1,0,0,0,0|1,0,2]=4 1774 B9R0.8 CCCNC(=O)C(C)CC 240690a_100020643023_100011192722 [0,1,0,0,0,0|1,0,2]=4 1775 B9R0.8 CCCNC(=O)C(C)CC 527a_100020643023_100011192722 [0,1,0,0,0,0|1,0,2]=4 1776 B9R0.8 CCCNC(=O)C(C)NC 2230a_100025744714_200000210301 [0,1,0,0,0,0|2,0,1]=4 1777 B9R0.8 CCCNC(=O)C(C)NC 2230a_106832991635_100000230305 [0,1,0,0,0,0|2,0,1]=4 1778 B9R0.8 CCCNC(=O)C(C)NC 34a_100025744714_200000210301 [0,1,0,0,0,0|2,0,1]=4 1779 B9R0.8 CCCNC(=O)C(C)NC 34a_100102657272_100000230305 [0,1,0,0,0,0|2,0,1]=4 1780 B9R0.8 CCCNC(=O)C(C)NC 7a_106832991635_100000230305 [0,1,0,0,0,0|2,0,1]=4 1781 B9R0.8 CCCNC(=O)C(C)N[13CH3] 2230a_100025744714_200025704644 [0,1,0,0,0,0|2,0,1]=4 1782 B9R0.8 CCCNC(=O)C(C)N[13CH3] 34a_100025744714_200025704644 [0,1,0,0,0,0|2,0,1]=4 1783 B9R0.8 CCCNC(=O)C(C)OC 11a_100020643023_100000743197 [0,1,0,0,0,0|2,0,1]=4 1784 B9R0.8 CCCNC(=O)C(C)OC 1626a_100020643023_100000743197 [0,1,0,0,0,0|2,0,1]=4 1785 B9R0.8 CCCNC(=O)C(C)OC 240690a_100020643023_100000743197 [0,1,0,0,0,0|2,0,1]=4 1786 B9R0.8 CCCNC(=O)C(C)OC 34a_100138415774_100000230305 [0,1,0,0,0,0|2,0,1]=4 1787 B9R0.8 CCCNC(=O)C(C)OC 527a_100020643023_100000743197 [0,1,0,0,0,0|2,0,1]=4 1788 B9R0.8 CCCNC(=O)C(C)SC 11a_100020643023_100000149566 [0,1,0,0,0,0|2,0,1]=4 1789 B9R0.8 CCCNC(=O)C(C)SC 1626a_100020643023_100000149566 [0,1,0,0,0,0|2,0,1]=4 1790 B9R0.8 CCCNC(=O)C(C)SC 240690a_100020643023_100000149566 [0,1,0,0,0,0|2,0,1]=4 1791 B9R0.8 CCCNC(=O)C(C)SC 527a_100020643023_100000149566 [0,1,0,0,0,0|2,0,1]=4 1792 B9R0.8 CCCNC(=O)C(C)SC 62a_100000230305_200000210301 [0,1,0,0,0,0|2,0,1]=4 1793 B9R0.8 CCCNC(=O)C(C)SC 62a_200000210301_100000230305 [0,1,0,0,0,0|2,0,1]=4 1794 B9R0.8 CCCNC(=O)C(C)S[13CH3] 62a_100000230305_200025704644 [0,1,0,0,0,0|2,0,1]=4 1795 B9R0.8 CCCNC(=O)C(C)S[13CH3] 62a_200025704644_100000230305 [0,1,0,0,0,0|2,0,1]=4 1796 B9R0.8 CCCNC(=O)C(O)CC 240690a_100020643023_100011196387 [0,1,0,0,0,0|1,0,2]=4 1797 B9R0.8 CCCNC(=O)N(C)CC 2708a_100020643023_100000225621 [0,1,0,0,0,0|2,0,1]=4 1798 B9R0.8 CCCNC(=O)N(C)CC 273464a_100020643023_100000225621 [0,1,0,0,0,0|2,0,1]=4 1799 B9R0.8 CCCOC(=O)C(C)NC 2230a_106832991635_100000760410 [0,1,0,0,0,0|2,0,1]=4 1800 B9R0.8 CCCOC(=O)C(C)NC 34a_100102657272_100000760410 [0,1,0,0,0,0|2,0,1]=4 1801 B9R0.8 CCCOC(=O)C(C)NC 7a_106832991635_100000760410 [0,1,0,0,0,0|2,0,1]=4 1802 B9R0.8 CCCOC(=O)C(C)OC 34a_100000037348_200000210301 [0,1,0,0,0,0|2,0,1]=4 1803 B9R0.8 CCCOC(=O)C(C)OC 34a_100138415774_100000760410 [0,1,0,0,0,0|2,0,1]=4 1804 B9R0.8 CCCOC(=O)C(C)OC 7a_100000037348_200000210301 [0,1,0,0,0,0|2,0,1]=4 1805 B9R0.8 CCCOC(=O)C(C)O[13CH3] 34a_100000037348_200025704644 [0,1,0,0,0,0|2,0,1]=4 1806 B9R0.8 CCCOC(=O)C(C)O[13CH3] 7a_100000037348_200025704644 [0,1,0,0,0,0|2,0,1]=4 1807 B9R0.8 CCCOC(=O)C(C)SC 62a_100000760410_200000210301 [0,1,0,0,0,0|2,0,1]=4 1808 B9R0.8 CCCOC(=O)C(C)SC 62a_200000210301_100000760410 [0,1,0,0,0,0|2,0,1]=4 1809 B9R0.8 CCCOC(=O)C(C)S[13CH3] 62a_100000760410_200025704644 [0,1,0,0,0,0|2,0,1]=4 1810 B9R0.8 CCCOC(=O)C(C)S[13CH3] 62a_200025704644_100000760410 [0,1,0,0,0,0|2,0,1]=4 1811 B9R0.8 CCN(C)C(=O)CCOC 11a_100000225621_100000749529 [0,1,0,0,0,0|2,0,1]=4 1812 B9R0.8 CCN(C)C(=O)CCOC 1626a_100000225621_100000749529 [0,1,0,0,0,0|2,0,1]=4 1813 B9R0.8 CCN(C)C(=O)CCOC 240690a_100000225621_100000749529 [0,1,0,0,0,0|2,0,1]=4 1814 B9R0.8 CCN(C)C(=O)CCOC 527a_100000225621_100000749529 [0,1,0,0,0,0|2,0,1]=4 1815 B9R0.8 CCN(C)C(=O)CCSC 11a_100000225621_100000174002 [0,1,0,0,0,0|2,0,1]=4 1816 B9R0.8 CCN(C)C(=O)CCSC 1626a_100000225621_100000174002 [0,1,0,0,0,0|2,0,1]=4 1817 B9R0.8 CCN(C)C(=O)CCSC 240690a_100000225621_100000174002 [0,1,0,0,0,0|2,0,1]=4 1818 B9R0.8 CCN(C)C(=O)CCSC 527a_100000225621_100000174002 [0,1,0,0,0,0|2,0,1]=4 1819 B9R0.8 CCNCC(=O)N(C)CC 2230a_100015525214_100000738999 [0,1,0,0,0,0|2,0,1]=4 1820 B9R0.8 CCNCC(=O)N(C)OC 2230a_100015207273_100000210202 [0,1,0,0,0,0|3,0,0]=4 1821 B9R0.8 CCNCC(=O)N(C)OC 2230a_100015525214_100000764215 [0,1,0,0,0,0|3,0,0]=4 1822 B9R0.8 CCNNC(=O)C(=O)NC 22a_100000756455_100011218921 [0,1,0,0,0,0|3,0,0]=4 1823 B9R0.8 CCOCC(=O)C(=O)OC 34a_100121572206_100011610305 [0,1,0,0,0,0|2,0,0]=3 1824 B9R0.8 CCOCC(=O)C(C)CC 1458a_100000211967_100000758301 [0,1,0,0,0,0|1,0,2]=4 1825 B9R0.8 CCOCC(=O)N(C)CC 11a_100000225621_100000211967 [0,1,0,0,0,0|2,0,1]=4 1826 B9R0.8 CCOCC(=O)N(C)CC 1626a_100000225621_100000211967 [0,1,0,0,0,0|2,0,1]=4 1827 B9R0.8 CCOCC(=O)N(C)CC 240690a_100000225621_100000211967 [0,1,0,0,0,0|2,0,1]=4 1828 B9R0.8 CCOCC(=O)N(C)CC 34a_100121572206_100000738999 [0,1,0,0,0,0|2,0,1]=4 1829 B9R0.8 CCOCC(=O)N(C)CC 527a_100000225621_100000211967 [0,1,0,0,0,0|2,0,1]=4 1830 B9R0.8 CCSCC(=O)C(=O)OC 62a_100000210202_100011610305 [0,1,0,0,0,0|2,0,0]=3 1831 B9R0.8 CCSCC(=O)C(=O)OC 62a_100011610305_100000210202 [0,1,0,0,0,0|2,0,0]=3 1832 B9R0.8 CCSCC(=O)C(C)CC 1458a_100000230394_100000758301 [0,1,0,0,0,0|1,0,2]=4 1833 B9R0.8 CCSCC(=O)N(C)CC 11a_100000225621_100000230394 [0,1,0,0,0,0|2,0,1]=4 1834 B9R0.8 CCSCC(=O)N(C)CC 1626a_100000225621_100000230394 [0,1,0,0,0,0|2,0,1]=4 1835 B9R0.8 CCSCC(=O)N(C)CC 240690a_100000225621_100000230394 [0,1,0,0,0,0|2,0,1]=4 1836 B9R0.8 CCSCC(=O)N(C)CC 527a_100000225621_100000230394 [0,1,0,0,0,0|2,0,1]=4 1837 B9R0.8 CCSCC(=O)N(C)CC 62a_100000210202_100000738999 [0,1,0,0,0,0|2,0,1]=4 1838 B9R0.8 CCSCC(=O)N(C)CC 62a_100000738999_100000210202 [0,1,0,0,0,0|2,0,1]=4 1839 B9R0.8 CCSCC(=O)N(C)OC 62a_100000210202_100000764215 [0,1,0,0,0,0|3,0,0]=4 1840 B9R0.8 CCSCC(=O)N(C)OC 62a_100000764215_100000210202 [0,1,0,0,0,0|3,0,0]=4 1841 B9R0.8 CNC(=O)C(=O)CCC#N 1458a_100011218921_100011215226 [0,1,0,0,0,0|2,0,1]=4 1842 B9R0.8 CNC(=O)C(=O)CCCF 1458a_100011218921_100011934791 [0,1,0,0,0,0|2,0,0]=3 1843 B9R0.8 CNC(=O)C(=O)CCCO 1458a_100011218921_100011215043 [0,1,0,0,0,0|2,0,0]=3 1844 B9R0.8 CNC(=O)C(=O)CCOC 1458a_100011218921_100000233755 [0,1,0,0,0,0|2,0,0]=3 1845 B9R0.8 CNC(=O)C(=O)CCSC 1458a_100011218921_100000751147 [0,1,0,0,0,0|2,0,0]=3 1846 B9R0.8 CNC(=O)C(=O)NCCF 1626a_100000724931_100011218921 [0,1,0,0,0,0|3,0,0]=4 1847 B9R0.8 CNC(=O)C(=O)NCCF 240690a_100000724931_100011218921 [0,1,0,0,0,0|3,0,0]=4 1848 B9R0.8 CNC(=O)C(=O)NCCF 527a_100000724931_100011218921 [0,1,0,0,0,0|3,0,0]=4 1849 B9R0.8 CNC(=O)C(=O)NCCO 240690a_100000210304_100011218921 [0,1,0,0,0,0|3,0,0]=4 1850 B9R0.8 CNC(=O)C(=O)NCCO 527a_100000210304_100011218921 [0,1,0,0,0,0|3,0,0]=4 1851 B9R0.8 COC(=O)C(=O)CSCF 62a_100011610305_100015361967 [0,1,0,0,0,0|3,0,0]=4 1852 B9R0.8 COC(=O)C(=O)CSCF 62a_100015361967_100011610305 [0,1,0,0,0,0|3,0,0]=4 1853 B9R0.8 COC(=O)C(=O)NCCF 11a_100000724931_100000024059 [0,1,0,0,0,0|3,0,0]=4 1854 B9R0.8 COC(=O)C(=O)NCCF 1626a_100000724931_100000024059 [0,1,0,0,0,0|3,0,0]=4 1855 B9R0.8 COC(=O)C(=O)NCCF 240690a_100000724931_100000024059 [0,1,0,0,0,0|3,0,0]=4 1856 B9R0.8 COC(=O)C(=O)NCCF 527a_100000724931_100000024059 [0,1,0,0,0,0|3,0,0]=4 1857 B9R0.8 COC(=O)C(=O)NCCO 240690a_100000210304_100000024059 [0,1,0,0,0,0|3,0,0]=4 1858 B9R0.8 COC(=O)C(=O)NCCO 527a_100000210304_100000024059 [0,1,0,0,0,0|3,0,0]=4 1859 B9R0.8 COC(C)C(=O)CCCF 1458a_100000743197_100011934791 [0,1,0,0,0,0|2,0,1]=4 1860 B9R0.8 COC(C)C(=O)CCCO 1458a_100000743197_100011215043 [0,1,0,0,0,0|2,0,1]=4 1861 B9R0.8 COC(C)C(=O)CCSC 1458a_100000743197_100000751147 [0,1,0,0,0,0|2,0,1]=4 1862 B9R0.8 COCCC(=O)C(C)OC 1458a_100000743197_100000233755 [0,1,0,0,0,0|2,0,1]=4 1863 B9R0.8 COCCC(=O)C(C)SC 1458a_100000149566_100000233755 [0,1,0,0,0,0|2,0,1]=4 1864 B9R0.8 CSC(C)C(=O)CCCF 1458a_100000149566_100011934791 [0,1,0,0,0,0|2,0,1]=4 1865 B9R0.8 CSC(C)C(=O)CCCO 1458a_100000149566_100011215043 [0,1,0,0,0,0|2,0,1]=4 1866 B9R0.8 CSCCC(=O)C(C)SC 1458a_100000149566_100000751147 [0,1,0,0,0,0|2,0,1]=4 1867 B9R0.18 C#CCCC(=O)C/C=C/C 1458a_100000692101_100102629194 [0,1,0,0,0,0|0,0,2]=3 1868 B9R0.18 C#CCCC(=O)C=CC=C 1458a_100016291481_100000753159 [0,1,0,0,0,0|0,0,3]=4 1869 B9R0.18 C#CCCC(=O)C=CCC 1458a_100000212282_100000753159 [0,1,0,0,0,0|0,0,2]=3 1870 B9R0.18 C#CCCC(=O)C=COC 1458a_100016268678_100000753159 [0,1,0,0,0,0|0,0,2]=3 1871 B9R0.18 C#CCCC(=O)CC=CC 1458a_100000692101_100000070051 [0,1,0,0,0,0|0,0,2]=3 1872 B9R0.18 C#CCCC(=O)CC=CC 1458a_100121576822_100000753159 [0,1,0,0,0,0|0,0,2]=3 1873 B9R0.18 C#CCCC(=O)CCCC 1458a_100000210183_100000753159 [0,1,0,0,0,0|0,0,3]=4 1874 B9R0.18 C#CCCC(=O)CCCC 1458a_100000692101_100000210211 [0,1,0,0,0,0|0,0,3]=4 1875 B9R0.18 C#CCNC(=O)C=CCC 11a_100000212058_100000212282 [0,1,0,0,0,0|1,0,2]=4 1876 B9R0.18 C#CCNC(=O)C=CCC 1626a_100000212058_100000212282 [0,1,0,0,0,0|1,0,2]=4 1877 B9R0.18 C#CCNC(=O)C=CCC 240690a_100000212058_100000212282 [0,1,0,0,0,0|1,0,2]=4 1878 B9R0.18 C#CCNC(=O)C=COC 1626a_100000212058_100016268678 [0,1,0,0,0,0|1,0,2]=4 1879 B9R0.18 C#CCNC(=O)C=COC 240690a_100000212058_100016268678 [0,1,0,0,0,0|1,0,2]=4 1880 B9R0.18 C#CCNC(=O)CC=CC 11a_100000212058_100121576822 [0,1,0,0,0,0|1,0,2]=4 1881 B9R0.18 C#CCNC(=O)CC=CC 1626a_100000212058_100121576822 [0,1,0,0,0,0|1,0,2]=4 1882 B9R0.18 C#CCNC(=O)CC=CC 240690a_100000212058_100121576822 [0,1,0,0,0,0|1,0,2]=4 1883 B9R0.18 C#CCNC(=O)CC=CC 527a_100000212058_100121576822 [0,1,0,0,0,0|1,0,2]=4 1884 B9R0.18 C#CCNC(=O)CCCC 11a_100000212058_100000210183 [0,1,0,0,0,0|0,0,3]=4 1885 B9R0.18 C#CCNC(=O)CCCC 1626a_100000212058_100000210183 [0,1,0,0,0,0|0,0,3]=4 1886 B9R0.18 C#CCNC(=O)CCCC 240690a_100000212058_100000210183 [0,1,0,0,0,0|0,0,3]=4 1887 B9R0.18 C#CCNC(=O)CCCC 527a_100000212058_100000210183 [0,1,0,0,0,0|0,0,3]=4 1888 B9R0.18 C/C=C/CC(=O)C#CCC 1458a_100011827653_100102629194 [0,1,0,0,0,0|0,0,2]=3 1889 B9R0.18 C/C=C/CC(=O)C#CCO 1458a_100000049017_100102629194 [0,1,0,0,0,0|1,0,2]=4 1890 B9R0.18 C/C=C/CC(=O)C=CCC 1458a_100000212282_100102629194 [0,1,0,0,0,0|0,0,2]=3 1891 B9R0.18 C/C=C/CC(=O)C=COC 1458a_100016268678_100102629194 [0,1,0,0,0,0|0,0,2]=3 1892 B9R0.18 C/C=C/CC(=O)CCC#N 1458a_100011934036_100102629194 [0,1,0,0,0,0|1,0,1]=3 1893 B9R0.18 C/C=C/CC(=O)CCCC 1458a_100000210183_100102629194 [0,1,0,0,0,0|0,0,0]=1 1894 B9R0.18 C/C=C/CC(=O)CCOC 1458a_100000749529_100102629194 [0,1,0,0,0,0|1,0,0]=2 1895 B9R0.18 C/C=C/CC(=O)CCSC 1458a_100000174002_100102629194 [0,1,0,0,0,0|1,0,0]=2 1896 B9R0.18 C/C=C/CC(=O)COCC 1458a_100000211967_100102629194 [0,1,0,0,0,0|1,0,0]=2 1897 B9R0.18 C/C=C/CC(=O)CSCC 1458a_100000230394_100102629194 [0,1,0,0,0,0|1,0,0]=2 1898 B9R0.18 C/C=C/CN(C)CCCC 269982a_100000207549_100102629194 [0,1,0,0,0,0|2,0,0]=3 1899 B9R0.18 C/C=C/CN(C)CCCO 269982a_100000213112_100102629194 [0,1,0,0,0,0|3,0,0]=4 1900 B9R0.18 C/C=C/CN(C)CCOC 269982a_100000743101_100102629194 [0,1,0,0,0,0|3,0,0]=4 1901 B9R0.18 C/C=C/CN(C)CCSC 269982a_100000686725_100102629194 [0,1,0,0,0,0|3,0,0]=4 1902 B9R0.18 C=CC=CC(=O)C/C=C/C 1458a_100016291481_100102629194 [0,1,0,0,0,0|0,0,3]=4 1903 B9R0.18 C=CC=CC(=O)CC#CC 1458a_100016291481_100000748600 [0,1,0,0,0,0|0,0,3]=4 1904 B9R0.18 C=CC=CC(=O)CC=CC 1458a_100016291481_100000070051 [0,1,0,0,0,0|0,0,3]=4 1905 B9R0.18 C=CC=CC(=O)CCC#N 1458a_100016291481_100011215226 [0,1,0,0,0,0|1,0,2]=4 1906 B9R0.18 C=CC=CC(=O)CCC=C 1458a_100016291481_100000754431 [0,1,0,0,0,0|0,0,3]=4 1907 B9R0.18 C=CC=CC(=O)CCCC 1458a_100016291481_100000210211 [0,1,0,0,0,0|0,0,1]=2 1908 B9R0.18 C=CC=CC(=O)CCCF 1458a_100016291481_100011934791 [0,1,0,0,0,0|1,0,1]=3 1909 B9R0.18 C=CC=CC(=O)CCCO 1458a_100016291481_100011215043 [0,1,0,0,0,0|1,0,1]=3 1910 B9R0.18 C=CC=CC(=O)CCOC 1458a_100016291481_100000233755 [0,1,0,0,0,0|1,0,1]=3 1911 B9R0.18 C=CC=CC(=O)CCSC 1458a_100016291481_100000751147 [0,1,0,0,0,0|1,0,1]=3 1912 B9R0.18 C=CC=CC(=O)NCCC 1626a_100020643023_100016291481 [0,1,0,0,0,0|1,0,1]=3 1913 B9R0.18 C=CC=CC(=O)NCCF 1626a_100000724931_100016291481 [0,1,0,0,0,0|2,0,1]=4 1914 B9R0.18 C=CC=CC(=O)NNCC 22a_100000756455_100016291481 [0,1,0,0,0,0|2,0,1]=4 1915 B9R0.18 C=CCCC(=O)C/C=C/C 1458a_100000749702_100102629194 [0,1,0,0,0,0|0,0,2]=3 1916 B9R0.18 C=CCCC(=O)C=CCC 1458a_100000212282_100000754431 [0,1,0,0,0,0|0,0,2]=3 1917 B9R0.18 C=CCCC(=O)C=COC 1458a_100016268678_100000754431 [0,1,0,0,0,0|0,0,2]=3 1918 B9R0.18 C=CCCC(=O)CC=CC 1458a_100000749702_100000070051 [0,1,0,0,0,0|0,0,2]=3 1919 B9R0.18 C=CCCC(=O)CC=CC 1458a_100121576822_100000754431 [0,1,0,0,0,0|0,0,2]=3 1920 B9R0.18 C=CCCC(=O)CCCC 1458a_100000210183_100000754431 [0,1,0,0,0,0|0,0,2]=3 1921 B9R0.18 C=CCCC(=O)CCCC 1458a_100000749702_100000210211 [0,1,0,0,0,0|0,0,2]=3 1922 B9R0.18 C=CCCC(=O)CCCF 1458a_100000749702_100011934791 [0,1,0,0,0,0|1,0,2]=4 1923 B9R0.18 C=CCCC(=O)CCCO 1458a_100000749702_100011215043 [0,1,0,0,0,0|1,0,2]=4 1924 B9R0.18 C=CCCC(=O)CCOC 1458a_100000749529_100000754431 [0,1,0,0,0,0|1,0,2]=4 1925 B9R0.18 C=CCCC(=O)CCOC 1458a_100000749702_100000233755 [0,1,0,0,0,0|1,0,2]=4 1926 B9R0.18 C=CCCC(=O)CCSC 1458a_100000174002_100000754431 [0,1,0,0,0,0|1,0,2]=4 1927 B9R0.18 C=CCCC(=O)CCSC 1458a_100000749702_100000751147 [0,1,0,0,0,0|1,0,2]=4 1928 B9R0.18 C=CCCC(=O)COCC 1458a_100000211967_100000754431 [0,1,0,0,0,0|1,0,2]=4 1929 B9R0.18 C=CCCC(=O)CSCC 1458a_100000230394_100000754431 [0,1,0,0,0,0|1,0,2]=4 1930 B9R0.18 C=CCCC(=O)NCCC 11a_100020643023_100000749702 [0,1,0,0,0,0|1,0,2]=4 1931 B9R0.18 C=CCCC(=O)NCCC 1626a_100020643023_100000749702 [0,1,0,0,0,0|1,0,2]=4 1932 B9R0.18 C=CCCC(=O)NCCC 240690a_100020643023_100000749702 [0,1,0,0,0,0|1,0,2]=4 1933 B9R0.18 C=CCCC(=O)NCCC 527a_100020643023_100000749702 [0,1,0,0,0,0|1,0,2]=4 1934 B9R0.18 C=CCNC(=O)C=CCC 1626a_100020586998_100000212282 [0,1,0,0,0,0|1,0,2]=4 1935 B9R0.18 C=CCNC(=O)C=CCC 240690a_100020586998_100000212282 [0,1,0,0,0,0|1,0,2]=4 1936 B9R0.18 C=CCNC(=O)C=COC 1626a_100020586998_100016268678 [0,1,0,0,0,0|1,0,2]=4 1937 B9R0.18 C=CCNC(=O)C=COC 240690a_100020586998_100016268678 [0,1,0,0,0,0|1,0,2]=4 1938 B9R0.18 C=CCNC(=O)CC=CC 1626a_100020586998_100121576822 [0,1,0,0,0,0|1,0,2]=4 1939 B9R0.18 C=CCNC(=O)CC=CC 240690a_100020586998_100121576822 [0,1,0,0,0,0|1,0,2]=4 1940 B9R0.18 C=CCNC(=O)CC=CC 527a_100020586998_100121576822 [0,1,0,0,0,0|1,0,2]=4 1941 B9R0.18 C=CCNC(=O)CCCC 1626a_100020586998_100000210183 [0,1,0,0,0,0|0,0,2]=3 1942 B9R0.18 C=CCNC(=O)CCCC 240690a_100020586998_100000210183 [0,1,0,0,0,0|0,0,2]=3 1943 B9R0.18 C=CCNC(=O)CCCC 527a_100020586998_100000210183 [0,1,0,0,0,0|0,0,2]=3 1944 B9R0.18 C=CCNC(=O)CCNC 2230a_106832991635_100011222895 [0,1,0,0,0,0|1,0,2]=4 1945 B9R0.18 C=CCNC(=O)CCNC 7a_106832991635_100011222895 [0,1,0,0,0,0|1,0,2]=4 1946 B9R0.18 C=CCNC(=O)CCOC 1626a_100020586998_100000749529 [0,1,0,0,0,0|1,0,2]=4 1947 B9R0.18 C=CCNC(=O)CCOC 240690a_100020586998_100000749529 [0,1,0,0,0,0|1,0,2]=4 1948 B9R0.18 C=CCNC(=O)CCOC 527a_100020586998_100000749529 [0,1,0,0,0,0|1,0,2]=4 1949 B9R0.18 C=CCNC(=O)CCSC 1626a_100020586998_100000174002 [0,1,0,0,0,0|1,0,2]=4 1950 B9R0.18 C=CCNC(=O)CCSC 240690a_100020586998_100000174002 [0,1,0,0,0,0|1,0,2]=4 1951 B9R0.18 C=CCNC(=O)CCSC 527a_100020586998_100000174002 [0,1,0,0,0,0|1,0,2]=4 1952 B9R0.18 C=CCNC(=O)CCSC 62a_100011222895_200000210301 [0,1,0,0,0,0|1,0,2]=4 1953 B9R0.18 C=CCNC(=O)CCSC 62a_200000210301_100011222895 [0,1,0,0,0,0|1,0,2]=4 1954 B9R0.18 C=CCNC(=O)CCS[13CH3] 62a_100011222895_200025704644 [0,1,0,0,0,0|1,0,2]=4 1955 B9R0.18 C=CCNC(=O)CCS[13CH3] 62a_200025704644_100011222895 [0,1,0,0,0,0|1,0,2]=4 1956 B9R0.18 C=CCNC(=O)CNCC 2230a_100015525214_100000183597 [0,1,0,0,0,0|1,0,2]=4 1957 B9R0.18 C=CCNC(=O)COCC 1626a_100020586998_100000211967 [0,1,0,0,0,0|1,0,2]=4 1958 B9R0.18 C=CCNC(=O)COCC 240690a_100020586998_100000211967 [0,1,0,0,0,0|1,0,2]=4 1959 B9R0.18 C=CCNC(=O)COCC 527a_100020586998_100000211967 [0,1,0,0,0,0|1,0,2]=4 1960 B9R0.18 C=CCNC(=O)CSCC 1626a_100020586998_100000230394 [0,1,0,0,0,0|1,0,2]=4 1961 B9R0.18 C=CCNC(=O)CSCC 240690a_100020586998_100000230394 [0,1,0,0,0,0|1,0,2]=4 1962 B9R0.18 C=CCNC(=O)CSCC 527a_100020586998_100000230394 [0,1,0,0,0,0|1,0,2]=4 1963 B9R0.18 C=CCNC(=O)CSCC 62a_100000183597_100000210202 [0,1,0,0,0,0|1,0,2]=4 1964 B9R0.18 C=CCNC(=O)CSCC 62a_100000210202_100000183597 [0,1,0,0,0,0|1,0,2]=4 1965 B9R0.18 C=CCNC(=O)NCCC 2708a_100020643023_100020586998 [0,1,0,0,0,0|1,0,2]=4 1966 B9R0.18 C=CCNC(=O)NCCC 273464a_100020586998_100020643023 [0,1,0,0,0,0|1,0,2]=4 1967 B9R0.18 C=CCNC(=O)NCCC 273464a_100020643023_100020586998 [0,1,0,0,0,0|1,0,2]=4 1968 B9R0.18 C=CCNC(=O)NCCC 512a_100020586998_100020643023 [0,1,0,0,0,0|1,0,2]=4 1969 B9R0.18 C=CCNC(=O)NCCC 512a_100020643023_100020586998 [0,1,0,0,0,0|1,0,2]=4 1970 B9R0.18 C=CCOC(=O)CNCC 2230a_100015525214_100000033060 [0,1,0,0,0,0|1,0,2]=4 1971 B9R0.18 C=CCOC(=O)COCC 34a_100121572206_100000033060 [0,1,0,0,0,0|1,0,2]=4 1972 B9R0.18 C=CCOC(=O)CSCC 62a_100000033060_100000210202 [0,1,0,0,0,0|1,0,2]=4 1973 B9R0.18 C=CCOC(=O)CSCC 62a_100000210202_100000033060 [0,1,0,0,0,0|1,0,2]=4 1974 B9R0.18 CC#CCC(=O)C=CCC 1458a_100000212282_100000748600 [0,1,0,0,0,0|0,0,2]=3 1975 B9R0.18 CC#CCC(=O)C=COC 1458a_100016268678_100000748600 [0,1,0,0,0,0|0,0,2]=3 1976 B9R0.18 CC#CCC(=O)CC=CC 1458a_100121576822_100000748600 [0,1,0,0,0,0|0,0,2]=3 1977 B9R0.18 CC#CCC(=O)CCCC 1458a_100000210183_100000748600 [0,1,0,0,0,0|0,0,2]=3 1978 B9R0.18 CC#CCC(=O)CCOC 1458a_100000749529_100000748600 [0,1,0,0,0,0|1,0,2]=4 1979 B9R0.18 CC#CCC(=O)CCSC 1458a_100000174002_100000748600 [0,1,0,0,0,0|1,0,2]=4 1980 B9R0.18 CC#CCC(=O)COCC 1458a_100000211967_100000748600 [0,1,0,0,0,0|1,0,2]=4 1981 B9R0.18 CC#CCC(=O)CSCC 1458a_100000230394_100000748600 [0,1,0,0,0,0|1,0,2]=4 1982 B9R0.18 CC=CCC(=O)C#CCC 1458a_100011827653_100000070051 [0,1,0,0,0,0|0,0,2]=3 1983 B9R0.18 CC=CCC(=O)C#CCO 1458a_100000049017_100000070051 [0,1,0,0,0,0|1,0,2]=4 1984 B9R0.18 CC=CCC(=O)C/C=C/C 1458a_100121576822_100102629194 [0,1,0,0,0,0|0,0,2]=3 1985 B9R0.18 CC=CCC(=O)C=CCC 1458a_100000212282_100000070051 [0,1,0,0,0,0|0,0,2]=3 1986 B9R0.18 CC=CCC(=O)C=COC 1458a_100016268678_100000070051 [0,1,0,0,0,0|0,0,2]=3 1987 B9R0.18 CC=CCC(=O)CC=CC 1458a_100121576822_100000070051 [0,1,0,0,0,0|0,0,2]=3 1988 B9R0.18 CC=CCC(=O)CCC#N 1458a_100011934036_100000070051 [0,1,0,0,0,0|1,0,1]=3 1989 B9R0.18 CC=CCC(=O)CCC#N 1458a_100121576822_100011215226 [0,1,0,0,0,0|1,0,1]=3 1990 B9R0.18 CC=CCC(=O)CCCC 1458a_100000210183_100000070051 [0,1,0,0,0,0|0,0,0]=1 1991 B9R0.18 CC=CCC(=O)CCCC 1458a_100121576822_100000210211 [0,1,0,0,0,0|0,0,0]=1 1992 B9R0.18 CC=CCC(=O)CCCF 1458a_100121576822_100011934791 [0,1,0,0,0,0|1,0,0]=2 1993 B9R0.18 CC=CCC(=O)CCCO 1458a_100121576822_100011215043 [0,1,0,0,0,0|1,0,0]=2 1994 B9R0.18 CC=CCC(=O)CCOC 1458a_100000749529_100000070051 [0,1,0,0,0,0|1,0,0]=2 1995 B9R0.18 CC=CCC(=O)CCOC 1458a_100121576822_100000233755 [0,1,0,0,0,0|1,0,0]=2 1996 B9R0.18 CC=CCC(=O)CCSC 1458a_100000174002_100000070051 [0,1,0,0,0,0|1,0,0]=2 1997 B9R0.18 CC=CCC(=O)CCSC 1458a_100121576822_100000751147 [0,1,0,0,0,0|1,0,0]=2 1998 B9R0.18 CC=CCC(=O)COCC 1458a_100000211967_100000070051 [0,1,0,0,0,0|1,0,0]=2 1999 B9R0.18 CC=CCC(=O)CSCC 1458a_100000230394_100000070051 [0,1,0,0,0,0|1,0,0]=2 2000 B9R0.18 CC=CCC(=O)NCC#N 1626a_100000734998_100121576822 [0,1,0,0,0,0|2,0,1]=4 2001 B9R0.18 CC=CCC(=O)NCC#N 527a_100000734998_100121576822 [0,1,0,0,0,0|2,0,1]=4 2002 B9R0.18 CC=CCC(=O)NCCC 11a_100020643023_100121576822 [0,1,0,0,0,0|1,0,0]=2 2003 B9R0.18 CC=CCC(=O)NCCC 1626a_100020643023_100121576822 [0,1,0,0,0,0|1,0,0]=2 2004 B9R0.18 CC=CCC(=O)NCCC 240690a_100020643023_100121576822 [0,1,0,0,0,0|1,0,0]=2 2005 B9R0.18 CC=CCC(=O)NCCC 527a_100020643023_100121576822 [0,1,0,0,0,0|1,0,0]=2 2006 B9R0.18 CC=CCC(=O)NCCF 11a_100000724931_100121576822 [0,1,0,0,0,0|2,0,0]=3 2007 B9R0.18 CC=CCC(=O)NCCF 1626a_100000724931_100121576822 [0,1,0,0,0,0|2,0,0]=3 2008 B9R0.18 CC=CCC(=O)NCCF 240690a_100000724931_100121576822 [0,1,0,0,0,0|2,0,0]=3 2009 B9R0.18 CC=CCC(=O)NCCF 527a_100000724931_100121576822 [0,1,0,0,0,0|2,0,0]=3 2010 B9R0.18 CC=CCC(=O)NCCO 240690a_100000210304_100121576822 [0,1,0,0,0,0|2,0,0]=3 2011 B9R0.18 CC=CCC(=O)NCCO 527a_100000210304_100121576822 [0,1,0,0,0,0|2,0,0]=3 2012 B9R0.18 CC=CCC(=O)NNCC 22a_100000756455_100121576822 [0,1,0,0,0,0|2,0,0]=3 2013 B9R0.18 CC=CCN(C)CCCC 2230a_100000207549_100000070051 [0,1,0,0,0,0|2,0,0]=3 2014 B9R0.18 CC=CCN(C)CCCO 2230a_100000213112_100000070051 [0,1,0,0,0,0|3,0,0]=4 2015 B9R0.18 CC=CCN(C)CCOC 2230a_100000743101_100000070051 [0,1,0,0,0,0|3,0,0]=4 2016 B9R0.18 CC=CCN(C)CCSC 2230a_100000686725_100000070051 [0,1,0,0,0,0|3,0,0]=4 2017 B9R0.18 CC=NNC(=O)CCCC 4a_100000189769_200000210099 [0,1,0,0,0,0|1,0,0]=2 2018 B9R0.18 CC=NNC(=O)CCOC 4a_100011260505_200000210099 [0,1,0,0,0,0|2,0,0]=3 2019 B9R0.18 CC=NNC(=O)COCC 4a_100000216846_200000210099 [0,1,0,0,0,0|2,0,0]=3 2020 B9R0.18 CCC#CC(=O)CCCC 1458a_100011827653_100000210211 [0,1,0,0,0,0|0,0,2]=3 2021 B9R0.18 CCC#CC(=O)CCCF 1458a_100011827653_100011934791 [0,1,0,0,0,0|1,0,2]=4 2022 B9R0.18 CCC#CC(=O)CCCO 1458a_100011827653_100011215043 [0,1,0,0,0,0|1,0,2]=4 2023 B9R0.18 CCC#CC(=O)CCOC 1458a_100011827653_100000233755 [0,1,0,0,0,0|1,0,2]=4 2024 B9R0.18 CCC#CC(=O)CCSC 1458a_100011827653_100000751147 [0,1,0,0,0,0|1,0,2]=4 2025 B9R0.18 CCC=CC(=O)CCC#N 1458a_100000212282_100011215226 [0,1,0,0,0,0|1,0,1]=3 2026 B9R0.18 CCC=CC(=O)CCCC 1458a_100000212282_100000210211 [0,1,0,0,0,0|0,0,0]=1 2027 B9R0.18 CCC=CC(=O)CCCF 1458a_100000212282_100011934791 [0,1,0,0,0,0|1,0,0]=2 2028 B9R0.18 CCC=CC(=O)CCCO 1458a_100000212282_100011215043 [0,1,0,0,0,0|1,0,0]=2 2029 B9R0.18 CCC=CC(=O)CCOC 1458a_100000212282_100000233755 [0,1,0,0,0,0|1,0,0]=2 2030 B9R0.18 CCC=CC(=O)CCSC 1458a_100000212282_100000751147 [0,1,0,0,0,0|1,0,0]=2 2031 B9R0.18 CCC=CC(=O)NCC#N 1626a_100000734998_100000212282 [0,1,0,0,0,0|2,0,1]=4 2032 B9R0.18 CCC=CC(=O)NCCC 11a_100020643023_100000212282 [0,1,0,0,0,0|1,0,0]=2 2033 B9R0.18 CCC=CC(=O)NCCC 1626a_100020643023_100000212282 [0,1,0,0,0,0|1,0,0]=2 2034 B9R0.18 CCC=CC(=O)NCCC 240690a_100020643023_100000212282 [0,1,0,0,0,0|1,0,0]=2 2035 B9R0.18 CCC=CC(=O)NCCF 11a_100000724931_100000212282 [0,1,0,0,0,0|2,0,0]=3 2036 B9R0.18 CCC=CC(=O)NCCF 1626a_100000724931_100000212282 [0,1,0,0,0,0|2,0,0]=3 2037 B9R0.18 CCC=CC(=O)NCCF 240690a_100000724931_100000212282 [0,1,0,0,0,0|2,0,0]=3 2038 B9R0.18 CCC=CC(=O)NCCO 240690a_100000210304_100000212282 [0,1,0,0,0,0|2,0,0]=3 2039 B9R0.18 CCC=CC(=O)NNCC 22a_100000756455_100000212282 [0,1,0,0,0,0|2,0,0]=3 2040 B9R0.18 CCCCC(=NNCC)C 4a_100000756455_100000210087 [0,1,0,0,0,0|2,0,1]=4 2041 B9R0.18 CCCCC(=O)C#CCO 1458a_100000049017_100000210211 [0,1,0,0,0,0|0,0,2]=3 2042 B9R0.18 CCCCC(=O)C=COC 1458a_100016268678_100000210211 [0,1,0,0,0,0|0,0,0]=1 2043 B9R0.18 CCCCC(=O)CCC#N 1458a_100000210183_100011215226 [0,1,0,0,0,0|0,0,3]=4 2044 B9R0.18 CCCCC(=O)CCC#N 1458a_100011934036_100000210211 [0,1,0,0,0,0|0,0,3]=4 2045 B9R0.18 CCCCC(=O)CCCC 1458a_100000210183_100000210211 [0,1,0,0,0,0|0,0,2]=3 2046 B9R0.18 CCCCC(=O)CCCF 1458a_100000210183_100011934791 [0,1,0,0,0,0|0,0,2]=3 2047 B9R0.18 CCCCC(=O)CCCO 1458a_100000210183_100011215043 [0,1,0,0,0,0|0,0,2]=3 2048 B9R0.18 CCCCC(=O)CCOC 1458a_100000210183_100000233755 [0,1,0,0,0,0|0,0,2]=3 2049 B9R0.18 CCCCC(=O)CCOC 1458a_100000749529_100000210211 [0,1,0,0,0,0|0,0,2]=3 2050 B9R0.18 CCCCC(=O)CCSC 1458a_100000174002_100000210211 [0,1,0,0,0,0|0,0,2]=3 2051 B9R0.18 CCCCC(=O)CCSC 1458a_100000210183_100000751147 [0,1,0,0,0,0|0,0,2]=3 2052 B9R0.18 CCCCC(=O)COCC 1458a_100000211967_100000210211 [0,1,0,0,0,0|0,0,2]=3 2053 B9R0.18 CCCCC(=O)CSCC 1458a_100000230394_100000210211 [0,1,0,0,0,0|0,0,2]=3 2054 B9R0.18 CCCCC(=O)NCC#N 1626a_100000734998_100000210183 [0,1,0,0,0,0|1,0,2]=4 2055 B9R0.18 CCCCC(=O)NCC#N 527a_100000734998_100000210183 [0,1,0,0,0,0|1,0,2]=4 2056 B9R0.18 CCCCC(=O)NCCC 11a_100020643023_100000210183 [0,1,0,0,0,0|0,0,2]=3 2057 B9R0.18 CCCCC(=O)NCCC 1626a_100020643023_100000210183 [0,1,0,0,0,0|0,0,2]=3 2058 B9R0.18 CCCCC(=O)NCCC 240690a_100020643023_100000210183 [0,1,0,0,0,0|0,0,2]=3 2059 B9R0.18 CCCCC(=O)NCCC 527a_100020643023_100000210183 [0,1,0,0,0,0|0,0,2]=3 2060 B9R0.18 CCCCC(=O)NCCF 11a_100000724931_100000210183 [0,1,0,0,0,0|1,0,1]=3 2061 B9R0.18 CCCCC(=O)NCCF 1626a_100000724931_100000210183 [0,1,0,0,0,0|1,0,1]=3 2062 B9R0.18 CCCCC(=O)NCCF 240690a_100000724931_100000210183 [0,1,0,0,0,0|1,0,1]=3 2063 B9R0.18 CCCCC(=O)NCCF 527a_100000724931_100000210183 [0,1,0,0,0,0|1,0,1]=3 2064 B9R0.18 CCCCC(=O)NCCO 240690a_100000210304_100000210183 [0,1,0,0,0,0|1,0,1]=3 2065 B9R0.18 CCCCC(=O)NCCO 527a_100000210304_100000210183 [0,1,0,0,0,0|1,0,1]=3 2066 B9R0.18 CCCCC(=O)NNCC 22a_100000756455_100000210183 [0,1,0,0,0,0|1,0,1]=3 2067 B9R0.18 CCCNC(=O)C=COC 1626a_100020643023_100016268678 [0,1,0,0,0,0|1,0,0]=2 2068 B9R0.18 CCCNC(=O)C=COC 240690a_100020643023_100016268678 [0,1,0,0,0,0|1,0,0]=2 2069 B9R0.18 CCCNC(=O)CCOC 11a_100020643023_100000749529 [0,1,0,0,0,0|1,0,2]=4 2070 B9R0.18 CCCNC(=O)CCOC 1626a_100020643023_100000749529 [0,1,0,0,0,0|1,0,2]=4 2071 B9R0.18 CCCNC(=O)CCOC 240690a_100020643023_100000749529 [0,1,0,0,0,0|1,0,2]=4 2072 B9R0.18 CCCNC(=O)CCOC 527a_100020643023_100000749529 [0,1,0,0,0,0|1,0,2]=4 2073 B9R0.18 CCCNC(=O)CCSC 11a_100020643023_100000174002 [0,1,0,0,0,0|1,0,2]=4 2074 B9R0.18 CCCNC(=O)CCSC 1626a_100020643023_100000174002 [0,1,0,0,0,0|1,0,2]=4 2075 B9R0.18 CCCNC(=O)CCSC 240690a_100020643023_100000174002 [0,1,0,0,0,0|1,0,2]=4 2076 B9R0.18 CCCNC(=O)CCSC 527a_100020643023_100000174002 [0,1,0,0,0,0|1,0,2]=4 2077 B9R0.18 CCCNC(=O)CNCC 2230a_100000174927_100000210202 [0,1,0,0,0,0|1,0,2]=4 2078 B9R0.18 CCCNC(=O)CNCC 2230a_100015525214_100000183358 [0,1,0,0,0,0|1,0,2]=4 2079 B9R0.18 CCCNC(=O)COCC 11a_100020643023_100000211967 [0,1,0,0,0,0|1,0,2]=4 2080 B9R0.18 CCCNC(=O)COCC 1626a_100020643023_100000211967 [0,1,0,0,0,0|1,0,2]=4 2081 B9R0.18 CCCNC(=O)COCC 240690a_100020643023_100000211967 [0,1,0,0,0,0|1,0,2]=4 2082 B9R0.18 CCCNC(=O)COCC 34a_100121572206_100000183358 [0,1,0,0,0,0|1,0,2]=4 2083 B9R0.18 CCCNC(=O)COCC 527a_100020643023_100000211967 [0,1,0,0,0,0|1,0,2]=4 2084 B9R0.18 CCCNC(=O)CSCC 11a_100020643023_100000230394 [0,1,0,0,0,0|1,0,2]=4 2085 B9R0.18 CCCNC(=O)CSCC 1626a_100020643023_100000230394 [0,1,0,0,0,0|1,0,2]=4 2086 B9R0.18 CCCNC(=O)CSCC 240690a_100020643023_100000230394 [0,1,0,0,0,0|1,0,2]=4 2087 B9R0.18 CCCNC(=O)CSCC 527a_100020643023_100000230394 [0,1,0,0,0,0|1,0,2]=4 2088 B9R0.18 CCCNC(=O)CSCC 62a_100000183358_100000210202 [0,1,0,0,0,0|1,0,2]=4 2089 B9R0.18 CCCNC(=O)CSCC 62a_100000210202_100000183358 [0,1,0,0,0,0|1,0,2]=4 2090 B9R0.18 CCCNC(=O)CSCF 62a_100000183358_100015361967 [0,1,0,0,0,0|2,0,1]=4 2091 B9R0.18 CCCNC(=O)CSCF 62a_100015361967_100000183358 [0,1,0,0,0,0|2,0,1]=4 2092 B9R0.18 CCCNC(=O)NCCC 2708a_100020643023_100020643023 [0,1,0,0,0,0|1,0,2]=4 2093 B9R0.18 CCCNC(=O)NCCC 273464a_100020643023_100020643023 [0,1,0,0,0,0|1,0,2]=4 2094 B9R0.18 CCCNC(=O)NCCC 512a_100020643023_100020643023 [0,1,0,0,0,0|1,0,2]=4 2095 B9R0.18 CCCNC(=O)NCCF 2708a_100020643023_100000724931 [0,1,0,0,0,0|2,0,1]=4 2096 B9R0.18 CCCNC(=O)NCCF 273464a_100000724931_100020643023 [0,1,0,0,0,0|2,0,1]=4 2097 B9R0.18 CCCNC(=O)NCCF 273464a_100020643023_100000724931 [0,1,0,0,0,0|2,0,1]=4 2098 B9R0.18 CCCNC(=O)NCCF 512a_100020643023_100000724931 [0,1,0,0,0,0|2,0,1]=4 2099 B9R0.18 CCCNC(=O)NCCO 2708a_100020643023_100000210304 [0,1,0,0,0,0|2,0,1]=4 2100 B9R0.18 CCCNC(=O)NCCO 273464a_100000210304_100020643023 [0,1,0,0,0,0|2,0,1]=4 2101 B9R0.18 CCCNC(=O)NCCO 273464a_100020643023_100000210304 [0,1,0,0,0,0|2,0,1]=4 2102 B9R0.18 CCCNC(=O)NCCO 512a_100020643023_100000210304 [0,1,0,0,0,0|2,0,1]=4 2103 B9R0.18 CCCNC(=O)NNCC 273464a_100020643023_100000756455 [0,1,0,0,0,0|2,0,1]=4 2104 B9R0.18 CCCNC(=O)NNCC 512a_100000756455_100020643023 [0,1,0,0,0,0|2,0,1]=4 2105 B9R0.18 CCCNC(=O)NNCC 512a_100020643023_100000756455 [0,1,0,0,0,0|2,0,1]=4 2106 B9R0.18 CCCOC(=O)CNCC 2230a_100015525214_200011215008 [0,1,0,0,0,0|1,0,2]=4 2107 B9R0.18 CCCOC(=O)COCC 34a_100121572206_200011215008 [0,1,0,0,0,0|1,0,2]=4 2108 B9R0.18 CCCOC(=O)CSCC 62a_100000210202_200011215008 [0,1,0,0,0,0|1,0,2]=4 2109 B9R0.18 CCCOC(=O)CSCC 62a_200011215008_100000210202 [0,1,0,0,0,0|1,0,2]=4 2110 B9R0.18 CCCOC(=O)CSCF 62a_100015361967_200011215008 [0,1,0,0,0,0|2,0,1]=4 2111 B9R0.18 CCCOC(=O)CSCF 62a_200011215008_100015361967 [0,1,0,0,0,0|2,0,1]=4 2112 B9R0.18 CCCOC(=O)OCNC 34a_100102657272_200000139673 [0,1,0,0,0,0|2,0,1]=4 2113 B9R0.18 CCCOC(=O)OCNC 7a_106832991635_200000139673 [0,1,0,0,0,0|2,0,1]=4 2114 B9R0.18 CCCOC(=O)OCOC 34a_100138415774_200000139673 [0,1,0,0,0,0|2,0,1]=4 2115 B9R0.18 CCCOC(=O)OCSC 62a_200000210301_200000139673 [0,1,0,0,0,0|2,0,1]=4 2116 B9R0.18 CCCOC(=O)OCS[13CH3] 62a_200025704644_200000139673 [0,1,0,0,0,0|2,0,1]=4 2117 B9R0.18 CCNCC(=O)NCCF 2230a_100000725713_100000210202 [0,1,0,0,0,0|2,0,1]=4 2118 B9R0.18 CCNN=C(C)C=COC 4a_100000756455_100102564965 [0,1,0,0,0,0|3,0,0]=4 2119 B9R0.18 CCNNC(=O)C=COC 22a_100000756455_100016268678 [0,1,0,0,0,0|2,0,0]=3 2120 B9R0.18 CCNNC(=O)CCOC 22a_100000756455_100000749529 [0,1,0,0,0,0|2,0,1]=4 2121 B9R0.18 CCNNC(=O)CCSC 22a_100000756455_100000174002 [0,1,0,0,0,0|2,0,1]=4 2122 B9R0.18 CCNNC(=O)COCC 22a_100000756455_100000211967 [0,1,0,0,0,0|2,0,1]=4 2123 B9R0.18 CCNNC(=O)CSCC 22a_100000756455_100000230394 [0,1,0,0,0,0|2,0,1]=4 2124 B9R0.18 CCOCC(=O)CCCF 1458a_100000211967_100011934791 [0,1,0,0,0,0|1,0,2]=4 2125 B9R0.18 CCOCC(=O)CCCO 1458a_100000211967_100011215043 [0,1,0,0,0,0|1,0,2]=4 2126 B9R0.18 CCOCC(=O)CCOC 1458a_100000211967_100000233755 [0,1,0,0,0,0|1,0,2]=4 2127 B9R0.18 CCOCC(=O)CCSC 1458a_100000211967_100000751147 [0,1,0,0,0,0|1,0,2]=4 2128 B9R0.18 CCOCC(=O)NCCF 11a_100000724931_100000211967 [0,1,0,0,0,0|2,0,1]=4 2129 B9R0.18 CCOCC(=O)NCCF 1626a_100000724931_100000211967 [0,1,0,0,0,0|2,0,1]=4 2130 B9R0.18 CCOCC(=O)NCCF 240690a_100000724931_100000211967 [0,1,0,0,0,0|2,0,1]=4 2131 B9R0.18 CCOCC(=O)NCCF 527a_100000724931_100000211967 [0,1,0,0,0,0|2,0,1]=4 2132 B9R0.18 CCOCC(=O)NCCO 240690a_100000210304_100000211967 [0,1,0,0,0,0|2,0,1]=4 2133 B9R0.18 CCOCC(=O)NCCO 527a_100000210304_100000211967 [0,1,0,0,0,0|2,0,1]=4 2134 B9R0.18 CCSCC(=O)CCCF 1458a_100000230394_100011934791 [0,1,0,0,0,0|1,0,2]=4 2135 B9R0.18 CCSCC(=O)CCCO 1458a_100000230394_100011215043 [0,1,0,0,0,0|1,0,2]=4 2136 B9R0.18 CCSCC(=O)CCOC 1458a_100000230394_100000233755 [0,1,0,0,0,0|1,0,2]=4 2137 B9R0.18 CCSCC(=O)CCSC 1458a_100000230394_100000751147 [0,1,0,0,0,0|1,0,2]=4 2138 B9R0.18 CCSCC(=O)NCCF 11a_100000724931_100000230394 [0,1,0,0,0,0|2,0,1]=4 2139 B9R0.18 CCSCC(=O)NCCF 1626a_100000724931_100000230394 [0,1,0,0,0,0|2,0,1]=4 2140 B9R0.18 CCSCC(=O)NCCF 240690a_100000724931_100000230394 [0,1,0,0,0,0|2,0,1]=4 2141 B9R0.18 CCSCC(=O)NCCF 527a_100000724931_100000230394 [0,1,0,0,0,0|2,0,1]=4 2142 B9R0.18 CCSCC(=O)NCCO 240690a_100000210304_100000230394 [0,1,0,0,0,0|2,0,1]=4 2143 B9R0.18 CCSCC(=O)NCCO 527a_100000210304_100000230394 [0,1,0,0,0,0|2,0,1]=4 2144 B9R0.18 COC=CC(=O)CCC#N 1458a_100016268678_100011215226 [0,1,0,0,0,0|1,0,1]=3 2145 B9R0.18 COC=CC(=O)CCCF 1458a_100016268678_100011934791 [0,1,0,0,0,0|1,0,0]=2 2146 B9R0.18 COC=CC(=O)CCCO 1458a_100016268678_100011215043 [0,1,0,0,0,0|1,0,0]=2 2147 B9R0.18 COC=CC(=O)CCOC 1458a_100016268678_100000233755 [0,1,0,0,0,0|1,0,0]=2 2148 B9R0.18 COC=CC(=O)CCSC 1458a_100016268678_100000751147 [0,1,0,0,0,0|1,0,0]=2 2149 B9R0.18 COC=CC(=O)NCC#N 1626a_100000734998_100016268678 [0,1,0,0,0,0|2,0,1]=4 2150 B9R0.18 COC=CC(=O)NCCF 1626a_100000724931_100016268678 [0,1,0,0,0,0|2,0,0]=3 2151 B9R0.18 COC=CC(=O)NCCF 240690a_100000724931_100016268678 [0,1,0,0,0,0|2,0,0]=3 2152 B9R0.18 COC=CC(=O)NCCO 240690a_100000210304_100016268678 [0,1,0,0,0,0|2,0,0]=3 2153 B9R0.18 COCCC(=O)C#CCO 1458a_100000049017_100000233755 [0,1,0,0,0,0|1,0,2]=4 2154 B9R0.18 COCCC(=O)CCCF 1458a_100000749529_100011934791 [0,1,0,0,0,0|1,0,2]=4 2155 B9R0.18 COCCC(=O)CCCO 1458a_100000749529_100011215043 [0,1,0,0,0,0|1,0,2]=4 2156 B9R0.18 COCCC(=O)CCOC 1458a_100000749529_100000233755 [0,1,0,0,0,0|1,0,2]=4 2157 B9R0.18 COCCC(=O)CCSC 1458a_100000174002_100000233755 [0,1,0,0,0,0|1,0,2]=4 2158 B9R0.18 COCCC(=O)CCSC 1458a_100000749529_100000751147 [0,1,0,0,0,0|1,0,2]=4 2159 B9R0.18 COCCC(=O)NCCF 11a_100000724931_100000749529 [0,1,0,0,0,0|2,0,1]=4 2160 B9R0.18 COCCC(=O)NCCF 1626a_100000724931_100000749529 [0,1,0,0,0,0|2,0,1]=4 2161 B9R0.18 COCCC(=O)NCCF 240690a_100000724931_100000749529 [0,1,0,0,0,0|2,0,1]=4 2162 B9R0.18 COCCC(=O)NCCF 527a_100000724931_100000749529 [0,1,0,0,0,0|2,0,1]=4 2163 B9R0.18 COCCC(=O)NCCO 240690a_100000210304_100000749529 [0,1,0,0,0,0|2,0,1]=4 2164 B9R0.18 COCCC(=O)NCCO 527a_100000210304_100000749529 [0,1,0,0,0,0|2,0,1]=4 2165 B9R0.18 CSCCC(=O)C#CCO 1458a_100000049017_100000751147 [0,1,0,0,0,0|1,0,2]=4 2166 B9R0.18 CSCCC(=O)CCCF 1458a_100000174002_100011934791 [0,1,0,0,0,0|1,0,2]=4 2167 B9R0.18 CSCCC(=O)CCCO 1458a_100000174002_100011215043 [0,1,0,0,0,0|1,0,2]=4 2168 B9R0.18 CSCCC(=O)CCSC 1458a_100000174002_100000751147 [0,1,0,0,0,0|1,0,2]=4 2169 B9R0.18 CSCCC(=O)NCCF 11a_100000724931_100000174002 [0,1,0,0,0,0|2,0,1]=4 2170 B9R0.18 CSCCC(=O)NCCF 1626a_100000724931_100000174002 [0,1,0,0,0,0|2,0,1]=4 2171 B9R0.18 CSCCC(=O)NCCF 240690a_100000724931_100000174002 [0,1,0,0,0,0|2,0,1]=4 2172 B9R0.18 CSCCC(=O)NCCF 527a_100000724931_100000174002 [0,1,0,0,0,0|2,0,1]=4 2173 B9R0.18 CSCCC(=O)NCCO 240690a_100000210304_100000174002 [0,1,0,0,0,0|2,0,1]=4 2174 B9R0.18 CSCCC(=O)NCCO 527a_100000210304_100000174002 [0,1,0,0,0,0|2,0,1]=4 2175 B9R0.18 O=C(C#CCO)CCCF 1458a_100000049017_100011934791 [0,1,0,0,0,0|1,0,2]=4 2176 B9R0.18 O=C(C#CCO)CCCO 1458a_100000049017_100011215043 [0,1,0,0,0,0|1,0,2]=4 2177 B9R0.34 C#CC(C)NC(=O)C=CC 11a_100000707721_100000210699 [0,1,0,0,0,0|1,0,2]=4 2178 B9R0.34 C#CC(C)NC(=O)C=CC 1626a_100000707721_100000210699 [0,1,0,0,0,0|1,0,2]=4 2179 B9R0.34 C#CC(C)NC(=O)C=CC 240690a_100000707721_100000210699 [0,1,0,0,0,0|1,0,2]=4 2180 B9R0.34 C#CCC(=O)CC(C)CC 1458a_100000708755_100000184674 [0,1,0,0,0,0|0,0,3]=4 2181 B9R0.34 C#CCC(=O)CC(C)CC 1458a_100011220946_100000748023 [0,1,0,0,0,0|0,0,3]=4 2182 B9R0.34 C#CCC(=O)CC(O)CC 1458a_100011220946_100011218378 [0,1,0,0,0,0|0,0,3]=4 2183 B9R0.34 C#CCC(=O)CC(O)CC 1458a_100011667805_100000184674 [0,1,0,0,0,0|0,0,3]=4 2184 B9R0.34 C#CCC(=O)C[C@@H](C)CC 1458a_100011220946_100009816398 [0,1,0,0,0,0|0,0,3]=4 2185 B9R0.34 C/C=C/C(C)OC(C)CC 34a_200102604097_100011215416 [0,1,0,0,0,0|2,0,1]=4 2186 B9R0.34 C=C(C#N)CC(=O)C=CC 1458a_100000210699_100000694840 [0,1,0,0,0,0|1,0,2]=4 2187 B9R0.34 C=CCC(=O)CC(=O)CC 1458a_100000210193_100000747405 [0,1,0,0,0,0|0,0,3]=4 2188 B9R0.34 C=CCC(=O)CC(C)CC 1458a_100000210193_100000748023 [0,1,0,0,0,0|0,0,2]=3 2189 B9R0.34 C=CCC(=O)CC(C)CC 1458a_100000708755_100000210623 [0,1,0,0,0,0|0,0,2]=3 2190 B9R0.34 C=CCC(=O)CC(O)CC 1458a_100000210193_100011218378 [0,1,0,0,0,0|0,0,2]=3 2191 B9R0.34 C=CCC(=O)CC(O)CC 1458a_100011667805_100000210623 [0,1,0,0,0,0|0,0,2]=3 2192 B9R0.34 C=CCC(=O)CN(C)CC 1458a_100116209913_100000210623 [0,1,0,0,0,0|1,0,2]=4 2193 B9R0.34 C=CCC(=O)C[C@@H](C)CC 1458a_100000210193_100009816398 [0,1,0,0,0,0|0,0,2]=3 2194 B9R0.34 C=CCC(=O)C[C@@H](C)CO 1458a_100000210193_100000059175 [0,1,0,0,0,0|1,0,2]=4 2195 B9R0.34 C=CCC(=O)NC(C)CC 11a_100000209981_100000210193 [0,1,0,0,0,0|1,0,2]=4 2196 B9R0.34 C=CCC(=O)NC(C)CC 1626a_100000209981_100000210193 [0,1,0,0,0,0|1,0,2]=4 2197 B9R0.34 C=CCC(=O)NC(C)CC 240690a_100000209981_100000210193 [0,1,0,0,0,0|1,0,2]=4 2198 B9R0.34 C=CCC(=O)NC(C)CC 527a_100000209981_100000210193 [0,1,0,0,0,0|1,0,2]=4 2199 B9R0.34 C=COC(=O)CC(=O)CC 1458a_100000210414_100000036128 [0,1,0,0,0,0|1,0,2]=4 2200 B9R0.34 C=COC(=O)CN(C)CC 2230a_100000225621_100000036128 [0,1,0,0,0,0|2,0,1]=4 2201 B9R0.34 C=COC(=O)CN(C)CC 269982a_100000225621_100000036128 [0,1,0,0,0,0|2,0,1]=4 2202 B9R0.34 CC#CC(=O)CC(=O)CC 1458a_100000763181_100000747405 [0,1,0,0,0,0|0,0,3]=4 2203 B9R0.34 CC#CC(=O)CC(C)CC 1458a_100000763181_100000748023 [0,1,0,0,0,0|0,0,2]=3 2204 B9R0.34 CC#CC(=O)CC(O)CC 1458a_100000763181_100011218378 [0,1,0,0,0,0|0,0,2]=3 2205 B9R0.34 CC#CC(=O)C[C@@H](C)CC 1458a_100000763181_100009816398 [0,1,0,0,0,0|0,0,2]=3 2206 B9R0.34 CC#CC(=O)C[C@@H](C)CO 1458a_100000763181_100000059175 [0,1,0,0,0,0|1,0,2]=4 2207 B9R0.34 CC=CC(=O)CC(=O)CC 1458a_100000210699_100000747405 [0,1,0,0,0,0|0,0,1]=2 2208 B9R0.34 CC=CC(=O)CC(=O)NC 1458a_100000210699_100000183359 [0,1,0,0,0,0|1,0,1]=3 2209 B9R0.34 CC=CC(=O)CC(=O)OC 1458a_100000210699_100000747449 [0,1,0,0,0,0|1,0,1]=3 2210 B9R0.34 CC=CC(=O)CC(C)CC 1458a_100000210699_100000748023 [0,1,0,0,0,0|0,0,0]=1 2211 B9R0.34 CC=CC(=O)CC(O)CC 1458a_100000210699_100011218378 [0,1,0,0,0,0|0,0,0]=1 2212 B9R0.34 CC=CC(=O)C[C@@H](C)CC 1458a_100000210699_100009816398 [0,1,0,0,0,0|0,0,0]=1 2213 B9R0.34 CC=CC(=O)C[C@@H](C)CO 1458a_100000210699_100000059175 [0,1,0,0,0,0|1,0,0]=2 2214 B9R0.34 CC=CC(=O)NC(C)C#N 11a_100000737613_100000210699 [0,1,0,0,0,0|2,0,1]=4 2215 B9R0.34 CC=CC(=O)NC(C)C#N 1626a_100000737613_100000210699 [0,1,0,0,0,0|2,0,1]=4 2216 B9R0.34 CC=CC(=O)NC(C)CC 11a_100000209981_100000210699 [0,1,0,0,0,0|1,0,0]=2 2217 B9R0.34 CC=CC(=O)NC(C)CC 1626a_100000209981_100000210699 [0,1,0,0,0,0|1,0,0]=2 2218 B9R0.34 CC=CC(=O)NC(C)CC 240690a_100000209981_100000210699 [0,1,0,0,0,0|1,0,0]=2 2219 B9R0.34 CC=CC(=O)N[C@H](C)CF 11a_100102880703_100000210699 [0,1,0,0,0,0|2,0,0]=3 2220 B9R0.34 CC=CC(=O)N[C@H](C)CF 1626a_100102880703_100000210699 [0,1,0,0,0,0|2,0,0]=3 2221 B9R0.34 CC=CC(=O)N[C@H](C)CF 240690a_100102880703_100000210699 [0,1,0,0,0,0|2,0,0]=3 2222 B9R0.34 CC=CC(=O)N[C@H](C)CO 240690a_100000737577_100000210699 [0,1,0,0,0,0|2,0,0]=3 2223 B9R0.34 CCC(=O)CC(=O)C=CBr 1458a_100016273825_100000747405 [0,1,0,0,0,0|1,0,1]=3 2224 B9R0.34 CCC(=O)CC(=O)C=CCl 1458a_200016279998_100000747405 [0,1,0,0,0,0|1,0,1]=3 2225 B9R0.34 CCC(=O)CC(=O)C=CI 1458a_100016256311_100000747405 [0,1,0,0,0,0|1,0,1]=3 2226 B9R0.34 CCC(=O)CC(=O)COC 1458a_100000210968_100000747405 [0,1,0,0,0,0|1,0,2]=4 2227 B9R0.34 CCC(=O)CC(=O)CSC 1458a_100000184570_100000747405 [0,1,0,0,0,0|1,0,2]=4 2228 B9R0.34 CCC(C)CC(=O)C=CBr 1458a_100016273825_100000748023 [0,1,0,0,0,0|1,0,0]=2 2229 B9R0.34 CCC(C)CC(=O)C=CCl 1458a_200016279998_100000748023 [0,1,0,0,0,0|1,0,0]=2 2230 B9R0.34 CCC(C)CC(=O)C=CI 1458a_100016256311_100000748023 [0,1,0,0,0,0|1,0,0]=2 2231 B9R0.34 CCC(C)CC(=O)CC#N 1458a_100000708755_100011214920 [0,1,0,0,0,0|1,0,2]=4 2232 B9R0.34 CCC(C)CC(=O)CC#N 1458a_100051588842_100000748023 [0,1,0,0,0,0|1,0,2]=4 2233 B9R0.34 CCC(C)CC(=O)CCF 1458a_100000708755_100011217306 [0,1,0,0,0,0|1,0,2]=4 2234 B9R0.34 CCC(C)CC(=O)CCO 1458a_100000708755_100000211926 [0,1,0,0,0,0|1,0,2]=4 2235 B9R0.34 CCC(C)CC(=O)CCO 1458a_100011216618_100000748023 [0,1,0,0,0,0|1,0,2]=4 2236 B9R0.34 CCC(C)CC(=O)COC 1458a_100000210968_100000748023 [0,1,0,0,0,0|1,0,1]=3 2237 B9R0.34 CCC(C)CC(=O)CSC 1458a_100000184570_100000748023 [0,1,0,0,0,0|1,0,1]=3 2238 B9R0.34 CCC(C)CC(=O)NNC 22a_100016993582_100000708755 [0,1,0,0,0,0|2,0,0]=3 2239 B9R0.34 CCC(C)NC(=O)C=CBr 1626a_100000209981_100016273825 [0,1,0,0,0,0|2,0,0]=3 2240 B9R0.34 CCC(C)NC(=O)C=CBr 240690a_100000209981_100016273825 [0,1,0,0,0,0|2,0,0]=3 2241 B9R0.34 CCC(C)NC(=O)C=CCl 11a_100000209981_200016279998 [0,1,0,0,0,0|2,0,0]=3 2242 B9R0.34 CCC(C)NC(=O)C=CCl 1626a_100000209981_200016279998 [0,1,0,0,0,0|2,0,0]=3 2243 B9R0.34 CCC(C)NC(=O)C=CCl 240690a_100000209981_200016279998 [0,1,0,0,0,0|2,0,0]=3 2244 B9R0.34 CCC(C)NC(=O)C=CI 1626a_100000209981_100016256311 [0,1,0,0,0,0|2,0,0]=3 2245 B9R0.34 CCC(C)NC(=O)CNC 2230a_106832991635_100000182745 [0,1,0,0,0,0|2,0,1]=4 2246 B9R0.34 CCC(C)NC(=O)CNC 34a_100102657272_100000182745 [0,1,0,0,0,0|2,0,1]=4 2247 B9R0.34 CCC(C)NC(=O)CNC 7a_106832991635_100000182745 [0,1,0,0,0,0|2,0,1]=4 2248 B9R0.34 CCC(C)NC(=O)COC 11a_100000209981_100000210968 [0,1,0,0,0,0|2,0,1]=4 2249 B9R0.34 CCC(C)NC(=O)COC 1626a_100000209981_100000210968 [0,1,0,0,0,0|2,0,1]=4 2250 B9R0.34 CCC(C)NC(=O)COC 240690a_100000209981_100000210968 [0,1,0,0,0,0|2,0,1]=4 2251 B9R0.34 CCC(C)NC(=O)COC 34a_100138415774_100000182745 [0,1,0,0,0,0|2,0,1]=4 2252 B9R0.34 CCC(C)NC(=O)COC 527a_100000209981_100000210968 [0,1,0,0,0,0|2,0,1]=4 2253 B9R0.34 CCC(C)NC(=O)CSC 11a_100000209981_100000184570 [0,1,0,0,0,0|2,0,1]=4 2254 B9R0.34 CCC(C)NC(=O)CSC 1626a_100000209981_100000184570 [0,1,0,0,0,0|2,0,1]=4 2255 B9R0.34 CCC(C)NC(=O)CSC 240690a_100000209981_100000184570 [0,1,0,0,0,0|2,0,1]=4 2256 B9R0.34 CCC(C)NC(=O)CSC 527a_100000209981_100000184570 [0,1,0,0,0,0|2,0,1]=4 2257 B9R0.34 CCC(C)NC(=O)CSC 62a_100000182745_200000210301 [0,1,0,0,0,0|2,0,1]=4 2258 B9R0.34 CCC(C)NC(=O)CSC 62a_200000210301_100000182745 [0,1,0,0,0,0|2,0,1]=4 2259 B9R0.34 CCC(C)NC(=O)CS[13CH3] 62a_100000182745_200025704644 [0,1,0,0,0,0|2,0,1]=4 2260 B9R0.34 CCC(C)NC(=O)CS[13CH3] 62a_200025704644_100000182745 [0,1,0,0,0,0|2,0,1]=4 2261 B9R0.34 CCC(C)NC(=O)NNC 273464a_100000209981_100016993582 [0,1,0,0,0,0|3,0,0]=4 2262 B9R0.34 CCC(C)NC(=O)NNC 512a_100000209981_100016993582 [0,1,0,0,0,0|3,0,0]=4 2263 B9R0.34 CCC(C)NC(=O)NNC 512a_100016993582_100000209981 [0,1,0,0,0,0|3,0,0]=4 2264 B9R0.34 CCC(O)CC(=O)C=CBr 1458a_100016273825_100011218378 [0,1,0,0,0,0|1,0,0]=2 2265 B9R0.34 CCC(O)CC(=O)C=CCl 1458a_200016279998_100011218378 [0,1,0,0,0,0|1,0,0]=2 2266 B9R0.34 CCC(O)CC(=O)C=CI 1458a_100016256311_100011218378 [0,1,0,0,0,0|1,0,0]=2 2267 B9R0.34 CCC(O)CC(=O)CC#N 1458a_100011667805_100011214920 [0,1,0,0,0,0|1,0,2]=4 2268 B9R0.34 CCC(O)CC(=O)CC#N 1458a_100051588842_100011218378 [0,1,0,0,0,0|1,0,2]=4 2269 B9R0.34 CCC(O)CC(=O)CCF 1458a_100011667805_100011217306 [0,1,0,0,0,0|1,0,2]=4 2270 B9R0.34 CCC(O)CC(=O)CCO 1458a_100011216618_100011218378 [0,1,0,0,0,0|1,0,2]=4 2271 B9R0.34 CCC(O)CC(=O)CCO 1458a_100011667805_100000211926 [0,1,0,0,0,0|1,0,2]=4 2272 B9R0.34 CCC(O)CC(=O)COC 1458a_100000210968_100011218378 [0,1,0,0,0,0|1,0,1]=3 2273 B9R0.34 CCC(O)CC(=O)CSC 1458a_100000184570_100011218378 [0,1,0,0,0,0|1,0,1]=3 2274 B9R0.34 CCC(O)CC(=O)NNC 22a_100016993582_100011667805 [0,1,0,0,0,0|2,0,0]=3 2275 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000210414_100000747444 [0,1,0,0,0,0|0,0,3]=4 2276 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000211992_100000747405 [0,1,0,0,0,0|0,0,3]=4 2277 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000211992_100000748023 [0,1,0,0,0,0|0,0,2]=3 2278 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000708755_100000210303 [0,1,0,0,0,0|0,0,2]=3 2279 B9R0.34 CCCC(=O)CC(O)CC 1458a_100000211992_100011218378 [0,1,0,0,0,0|0,0,2]=3 2280 B9R0.34 CCCC(=O)CC(O)CC 1458a_100011667805_100000210303 [0,1,0,0,0,0|0,0,2]=3 2281 B9R0.34 CCCC(=O)CN(C)CC 1458a_100116209913_100000210303 [0,1,0,0,0,0|1,0,2]=4 2282 B9R0.34 CCCC(=O)CN(C)CC 2230a_100000225621_100000747444 [0,1,0,0,0,0|1,0,2]=4 2283 B9R0.34 CCCC(=O)CN(C)CC 269982a_100000225621_100000747444 [0,1,0,0,0,0|1,0,2]=4 2284 B9R0.34 CCCC(=O)C[C@@H](C)CC 1458a_100000211992_100009816398 [0,1,0,0,0,0|0,0,2]=3 2285 B9R0.34 CCCC(=O)C[C@@H](C)CO 1458a_100000211992_100000059175 [0,1,0,0,0,0|1,0,2]=4 2286 B9R0.34 CCCC(=O)NC(C)CC 11a_100000209981_100000211992 [0,1,0,0,0,0|1,0,2]=4 2287 B9R0.34 CCCC(=O)NC(C)CC 1626a_100000209981_100000211992 [0,1,0,0,0,0|1,0,2]=4 2288 B9R0.34 CCCC(=O)NC(C)CC 240690a_100000209981_100000211992 [0,1,0,0,0,0|1,0,2]=4 2289 B9R0.34 CCCC(=O)NC(C)CC 527a_100000209981_100000211992 [0,1,0,0,0,0|1,0,2]=4 2290 B9R0.34 CCN(C)CC(=O)NNC 22a_100016993582_100116209913 [0,1,0,0,0,0|3,0,0]=4 2291 B9R0.34 CCNC(=O)CC(=O)CC 1458a_100000210414_100000183381 [0,1,0,0,0,0|1,0,2]=4 2292 B9R0.34 CCNC(=O)CC(C)CC 11a_100015525214_100000708755 [0,1,0,0,0,0|1,0,1]=3 2293 B9R0.34 CCNC(=O)CC(C)CC 240690a_100015525214_100000708755 [0,1,0,0,0,0|1,0,1]=3 2294 B9R0.34 CCNC(=O)CC(C)CC 527a_100015525214_100000708755 [0,1,0,0,0,0|1,0,1]=3 2295 B9R0.34 CCNC(=O)CC(O)CC 240690a_100015525214_100011667805 [0,1,0,0,0,0|1,0,1]=3 2296 B9R0.34 CCNC(=O)CN(C)CC 2230a_100000225621_100000183381 [0,1,0,0,0,0|2,0,1]=4 2297 B9R0.34 CCNC(=O)CN(C)CC 2230a_100000741943_100000210202 [0,1,0,0,0,0|2,0,1]=4 2298 B9R0.34 CCNC(=O)CN(C)CC 240690a_100015525214_100116209913 [0,1,0,0,0,0|2,0,1]=4 2299 B9R0.34 CCNC(=O)CN(C)CC 269982a_100000225621_100000183381 [0,1,0,0,0,0|2,0,1]=4 2300 B9R0.34 CCNC(=O)CN(C)CC 269982a_100000741943_100000204670 [0,1,0,0,0,0|2,0,1]=4 2301 B9R0.34 CCNC(=O)CN(C)CC 527a_100015525214_100116209913 [0,1,0,0,0,0|2,0,1]=4 2302 B9R0.34 CCNC(=O)NC(C)CC 2708a_100000209981_100015525214 [0,1,0,0,0,0|2,0,1]=4 2303 B9R0.34 CCNC(=O)NC(C)CC 2708a_100015525214_100000209981 [0,1,0,0,0,0|2,0,1]=4 2304 B9R0.34 CCNC(=O)NC(C)CC 273464a_100000209981_100015525214 [0,1,0,0,0,0|2,0,1]=4 2305 B9R0.34 CCNC(=O)NC(C)CC 273464a_100015525214_100000209981 [0,1,0,0,0,0|2,0,1]=4 2306 B9R0.34 CCNC(=O)NC(C)CC 512a_100000209981_100015525214 [0,1,0,0,0,0|2,0,1]=4 2307 B9R0.34 CCNC(=O)NC(C)CC 512a_100015525214_100000209981 [0,1,0,0,0,0|2,0,1]=4 2308 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000210414_100000188475 [0,1,0,0,0,0|1,0,2]=4 2309 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000243816_100000210202 [0,1,0,0,0,0|1,0,2]=4 2310 B9R0.34 CCOC(=O)CC(C)NC 2230a_106832991635_100009817359 [0,1,0,0,0,0|2,0,1]=4 2311 B9R0.34 CCOC(=O)CC(C)NC 7a_106832991635_100009817359 [0,1,0,0,0,0|2,0,1]=4 2312 B9R0.34 CCOC(=O)CC(C)SC 62a_100009817359_200000210301 [0,1,0,0,0,0|2,0,1]=4 2313 B9R0.34 CCOC(=O)CC(C)SC 62a_200000210301_100009817359 [0,1,0,0,0,0|2,0,1]=4 2314 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_100009817359_200025704644 [0,1,0,0,0,0|2,0,1]=4 2315 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_200025704644_100009817359 [0,1,0,0,0,0|2,0,1]=4 2316 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220588_100000210202 [0,1,0,0,0,0|2,0,1]=4 2317 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220607_200000210301 [0,1,0,0,0,0|2,0,1]=4 2318 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000225621_100000188475 [0,1,0,0,0,0|2,0,1]=4 2319 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000220607_200000210301 [0,1,0,0,0,0|2,0,1]=4 2320 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000225621_100000188475 [0,1,0,0,0,0|2,0,1]=4 2321 B9R0.34 CCOC(=O)CN([13CH3])CC 2230a_100000220607_200025704644 [0,1,0,0,0,0|2,0,1]=4 2322 B9R0.34 CCOC(=O)CN([13CH3])CC 269982a_100000220607_200025704644 [0,1,0,0,0,0|2,0,1]=4 2323 B9R0.34 CCOC(=O)C[C@@H](C)OC 7a_100009816390_200000210301 [0,1,0,0,0,0|2,0,1]=4 2324 B9R0.34 CCOC(=O)C[C@@H](C)O[13CH3] 7a_100009816390_200025704644 [0,1,0,0,0,0|2,0,1]=4 2325 B9R0.34 CC[C@H](C)CC(=O)C=CBr 1458a_100016273825_100009816398 [0,1,0,0,0,0|1,0,0]=2 2326 B9R0.34 CC[C@H](C)CC(=O)C=CCl 1458a_200016279998_100009816398 [0,1,0,0,0,0|1,0,0]=2 2327 B9R0.34 CC[C@H](C)CC(=O)C=CI 1458a_100016256311_100009816398 [0,1,0,0,0,0|1,0,0]=2 2328 B9R0.34 CC[C@H](C)CC(=O)CC#N 1458a_100051588842_100009816398 [0,1,0,0,0,0|1,0,2]=4 2329 B9R0.34 CC[C@H](C)CC(=O)CCO 1458a_100011216618_100009816398 [0,1,0,0,0,0|1,0,2]=4 2330 B9R0.34 CC[C@H](C)CC(=O)COC 1458a_100000210968_100009816398 [0,1,0,0,0,0|1,0,1]=3 2331 B9R0.34 CC[C@H](C)CC(=O)CSC 1458a_100000184570_100009816398 [0,1,0,0,0,0|1,0,1]=3 2332 B9R0.34 CNC(=O)CC(=O)C=CBr 1458a_100016273825_100000183359 [0,1,0,0,0,0|2,0,1]=4 2333 B9R0.34 CNC(=O)CC(=O)C=CCl 1458a_200016279998_100000183359 [0,1,0,0,0,0|2,0,1]=4 2334 B9R0.34 CNC(=O)CC(=O)C=CI 1458a_100016256311_100000183359 [0,1,0,0,0,0|2,0,1]=4 2335 B9R0.34 COC(=O)CC(=O)C=CBr 1458a_100016273825_100000747449 [0,1,0,0,0,0|2,0,1]=4 2336 B9R0.34 COC(=O)CC(=O)C=CCl 1458a_200016279998_100000747449 [0,1,0,0,0,0|2,0,1]=4 2337 B9R0.34 COC(=O)CC(=O)C=CI 1458a_100016256311_100000747449 [0,1,0,0,0,0|2,0,1]=4 2338 B9R0.34 COCC(=O)C[C@@H](C)CO 1458a_100000210968_100000059175 [0,1,0,0,0,0|2,0,1]=4 2339 B9R0.34 CSCC(=O)C[C@@H](C)CO 1458a_100000184570_100000059175 [0,1,0,0,0,0|2,0,1]=4 2340 B9R0.34 C[C@@H](CO)CC(=O)C=CBr 1458a_100016273825_100000059175 [0,1,0,0,0,0|2,0,0]=3 2341 B9R0.34 C[C@@H](CO)CC(=O)C=CCl 1458a_200016279998_100000059175 [0,1,0,0,0,0|2,0,0]=3 2342 B9R0.34 C[C@@H](CO)CC(=O)C=CI 1458a_100016256311_100000059175 [0,1,0,0,0,0|2,0,0]=3 2343 B9R0.34 C[C@H](CF)NC(=O)C=CBr 1626a_100102880703_100016273825 [0,1,0,0,0,0|3,0,0]=4 2344 B9R0.34 C[C@H](CF)NC(=O)C=CBr 240690a_100102880703_100016273825 [0,1,0,0,0,0|3,0,0]=4 2345 B9R0.34 C[C@H](CF)NC(=O)C=CCl 11a_100102880703_200016279998 [0,1,0,0,0,0|3,0,0]=4 2346 B9R0.34 C[C@H](CF)NC(=O)C=CCl 1626a_100102880703_200016279998 [0,1,0,0,0,0|3,0,0]=4 2347 B9R0.34 C[C@H](CF)NC(=O)C=CCl 240690a_100102880703_200016279998 [0,1,0,0,0,0|3,0,0]=4 2348 B9R0.34 C[C@H](CF)NC(=O)C=CI 1626a_100102880703_100016256311 [0,1,0,0,0,0|3,0,0]=4 2349 B9R0.34 C[C@H](CO)NC(=O)C=CBr 240690a_100000737577_100016273825 [0,1,0,0,0,0|3,0,0]=4 2350 B9R0.34 C[C@H](CO)NC(=O)C=CCl 240690a_100000737577_200016279998 [0,1,0,0,0,0|3,0,0]=4 2351 B9R0.35 C#CCC(=O)C(C)CCC 1458a_100000210906_100000184674 [0,1,0,0,0,0|0,0,3]=4 2352 B9R0.35 C#CCC(=O)C(C)CCC 1458a_100011220946_100000766640 [0,1,0,0,0,0|0,0,3]=4 2353 B9R0.35 C#CCC(=O)[C@@H](O)CCC 1458a_100009822183_100000184674 [0,1,0,0,0,0|0,0,3]=4 2354 B9R0.35 C#CCN(C)C(=O)C=CC 11a_100000225692_100000210699 [0,1,0,0,0,0|1,0,2]=4 2355 B9R0.35 C#CCN(C)C(=O)C=CC 1626a_100000225692_100000210699 [0,1,0,0,0,0|1,0,2]=4 2356 B9R0.35 C=CCC(=O)C(C)CCC 1458a_100000210193_100000766640 [0,1,0,0,0,0|0,0,2]=3 2357 B9R0.35 C=CCC(=O)C(C)CCC 1458a_100000210906_100000210623 [0,1,0,0,0,0|0,0,2]=3 2358 B9R0.35 C=CCC(=O)C(C)CCO 1458a_100000210193_100009893172 [0,1,0,0,0,0|1,0,2]=4 2359 B9R0.35 C=CCC(=O)C(C)COC 1458a_100000210193_100000765312 [0,1,0,0,0,0|1,0,2]=4 2360 B9R0.35 C=CCC(=O)C(C)COC 1458a_100000751857_100000210623 [0,1,0,0,0,0|1,0,2]=4 2361 B9R0.35 C=CCC(=O)C(C)CSC 1458a_100000753918_100000210623 [0,1,0,0,0,0|1,0,2]=4 2362 B9R0.35 C=CCC(=O)C(C)OCC 1458a_100000739345_100000210623 [0,1,0,0,0,0|1,0,2]=4 2363 B9R0.35 C=CCC(=O)C(C)SCC 1458a_100000230601_100000210623 [0,1,0,0,0,0|1,0,2]=4 2364 B9R0.35 C=CCC(=O)N(C)CCC 11a_100000747261_100000210193 [0,1,0,0,0,0|1,0,2]=4 2365 B9R0.35 C=CCC(=O)N(C)CCC 1626a_100000747261_100000210193 [0,1,0,0,0,0|1,0,2]=4 2366 B9R0.35 C=CCC(=O)N(C)CCC 240690a_100000747261_100000210193 [0,1,0,0,0,0|1,0,2]=4 2367 B9R0.35 C=CCC(=O)N(C)CCC 527a_100000747261_100000210193 [0,1,0,0,0,0|1,0,2]=4 2368 B9R0.35 C=CCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210623 [0,1,0,0,0,0|0,0,2]=3 2369 B9R0.35 C=CCN(C)C(=O)C=CC 11a_100000225617_100000210699 [0,1,0,0,0,0|1,0,2]=4 2370 B9R0.35 C=CCN(C)C(=O)C=CC 1626a_100000225617_100000210699 [0,1,0,0,0,0|1,0,2]=4 2371 B9R0.35 C=CCN(C)C(=O)C=CC 240690a_100000225617_100000210699 [0,1,0,0,0,0|1,0,2]=4 2372 B9R0.35 CC#CC(=O)C(C)CCC 1458a_100000763181_100000766640 [0,1,0,0,0,0|0,0,2]=3 2373 B9R0.35 CC#CC(=O)C(C)CCO 1458a_100000763181_100009893172 [0,1,0,0,0,0|1,0,2]=4 2374 B9R0.35 CC#CC(=O)C(C)COC 1458a_100000763181_100000765312 [0,1,0,0,0,0|1,0,2]=4 2375 B9R0.35 CC(CC#N)C(=O)C=CBr 1458a_100016273825_100009813641 [0,1,0,0,0,0|2,0,1]=4 2376 B9R0.35 CC(CC#N)C(=O)C=CCl 1458a_200016279998_100009813641 [0,1,0,0,0,0|2,0,1]=4 2377 B9R0.35 CC(CC#N)C(=O)C=CI 1458a_100016256311_100009813641 [0,1,0,0,0,0|2,0,1]=4 2378 B9R0.35 CC(CCO)C(=O)C=CBr 1458a_100016273825_100009893172 [0,1,0,0,0,0|2,0,0]=3 2379 B9R0.35 CC(CCO)C(=O)C=CCl 1458a_200016279998_100009893172 [0,1,0,0,0,0|2,0,0]=3 2380 B9R0.35 CC(CCO)C(=O)C=CI 1458a_100016256311_100009893172 [0,1,0,0,0,0|2,0,0]=3 2381 B9R0.35 CC/C=C(\C)/C(=O)CCC 1458a_100016988807_100000210303 [0,1,0,0,0,0|1,0,2]=4 2382 B9R0.35 CC=CC(=O)C(C)CC#N 1458a_100000210699_100009813641 [0,1,0,0,0,0|1,0,1]=3 2383 B9R0.35 CC=CC(=O)C(C)CCC 1458a_100000210699_100000766640 [0,1,0,0,0,0|0,0,0]=1 2384 B9R0.35 CC=CC(=O)C(C)CCO 1458a_100000210699_100009893172 [0,1,0,0,0,0|1,0,0]=2 2385 B9R0.35 CC=CC(=O)C(C)COC 1458a_100000210699_100000765312 [0,1,0,0,0,0|1,0,0]=2 2386 B9R0.35 CC=CC(=O)N(C)CC#N 11a_100000748184_100000210699 [0,1,0,0,0,0|2,0,1]=4 2387 B9R0.35 CC=CC(=O)N(C)CC#N 1626a_100000748184_100000210699 [0,1,0,0,0,0|2,0,1]=4 2388 B9R0.35 CC=CC(=O)N(C)CCC 11a_100000747261_100000210699 [0,1,0,0,0,0|1,0,0]=2 2389 B9R0.35 CC=CC(=O)N(C)CCC 1626a_100000747261_100000210699 [0,1,0,0,0,0|1,0,0]=2 2390 B9R0.35 CC=CC(=O)N(C)CCC 240690a_100000747261_100000210699 [0,1,0,0,0,0|1,0,0]=2 2391 B9R0.35 CC=CC(=O)N(C)CCO 240690a_100000210263_100000210699 [0,1,0,0,0,0|2,0,0]=3 2392 B9R0.35 CCCC(=O)C(=O)NCC 1458a_200011297158_100000210303 [0,1,0,0,0,0|1,0,2]=4 2393 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000210906_100000210303 [0,1,0,0,0,0|0,0,2]=3 2394 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000211992_100000766640 [0,1,0,0,0,0|0,0,2]=3 2395 B9R0.35 CCCC(=O)C(C)CCO 1458a_100000211992_100009893172 [0,1,0,0,0,0|1,0,2]=4 2396 B9R0.35 CCCC(=O)C(C)COC 1458a_100000211992_100000765312 [0,1,0,0,0,0|1,0,2]=4 2397 B9R0.35 CCCC(=O)C(C)COC 1458a_100000751857_100000210303 [0,1,0,0,0,0|1,0,2]=4 2398 B9R0.35 CCCC(=O)C(C)CSC 1458a_100000753918_100000210303 [0,1,0,0,0,0|1,0,2]=4 2399 B9R0.35 CCCC(=O)C(C)OCC 1458a_100000739345_100000210303 [0,1,0,0,0,0|1,0,2]=4 2400 B9R0.35 CCCC(=O)C(C)SCC 1458a_100000230601_100000210303 [0,1,0,0,0,0|1,0,2]=4 2401 B9R0.35 CCCC(=O)N(C)CCC 11a_100000747261_100000211992 [0,1,0,0,0,0|1,0,2]=4 2402 B9R0.35 CCCC(=O)N(C)CCC 1626a_100000747261_100000211992 [0,1,0,0,0,0|1,0,2]=4 2403 B9R0.35 CCCC(=O)N(C)CCC 240690a_100000747261_100000211992 [0,1,0,0,0,0|1,0,2]=4 2404 B9R0.35 CCCC(=O)N(C)CCC 527a_100000747261_100000211992 [0,1,0,0,0,0|1,0,2]=4 2405 B9R0.35 CCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210303 [0,1,0,0,0,0|0,0,2]=3 2406 B9R0.35 CCCC(C)C(=O)C=CBr 1458a_100016273825_100000766640 [0,1,0,0,0,0|1,0,0]=2 2407 B9R0.35 CCCC(C)C(=O)C=CCl 1458a_200016279998_100000766640 [0,1,0,0,0,0|1,0,0]=2 2408 B9R0.35 CCCC(C)C(=O)C=CI 1458a_100016256311_100000766640 [0,1,0,0,0,0|1,0,0]=2 2409 B9R0.35 CCCC(C)C(=O)CC#N 1458a_100000210906_100011214920 [0,1,0,0,0,0|1,0,2]=4 2410 B9R0.35 CCCC(C)C(=O)CC#N 1458a_100051588842_100000766640 [0,1,0,0,0,0|1,0,2]=4 2411 B9R0.35 CCCC(C)C(=O)CCF 1458a_100000210906_100011217306 [0,1,0,0,0,0|1,0,2]=4 2412 B9R0.35 CCCC(C)C(=O)CCO 1458a_100000210906_100000211926 [0,1,0,0,0,0|1,0,2]=4 2413 B9R0.35 CCCC(C)C(=O)CCO 1458a_100011216618_100000766640 [0,1,0,0,0,0|1,0,2]=4 2414 B9R0.35 CCCC(C)C(=O)COC 1458a_100000210968_100000766640 [0,1,0,0,0,0|1,0,1]=3 2415 B9R0.35 CCCC(C)C(=O)CSC 1458a_100000184570_100000766640 [0,1,0,0,0,0|1,0,1]=3 2416 B9R0.35 CCCC(C)C(=O)NCC 11a_100015525214_100000210906 [0,1,0,0,0,0|1,0,1]=3 2417 B9R0.35 CCCC(C)C(=O)NCC 240690a_100015525214_100000210906 [0,1,0,0,0,0|1,0,1]=3 2418 B9R0.35 CCCC(C)C(=O)NCC 527a_100015525214_100000210906 [0,1,0,0,0,0|1,0,1]=3 2419 B9R0.35 CCCC(C)C(=O)NNC 22a_100016993582_100000210906 [0,1,0,0,0,0|2,0,0]=3 2420 B9R0.35 CCCN(C)C(=O)C=CBr 1626a_100000747261_100016273825 [0,1,0,0,0,0|2,0,0]=3 2421 B9R0.35 CCCN(C)C(=O)C=CBr 240690a_100000747261_100016273825 [0,1,0,0,0,0|2,0,0]=3 2422 B9R0.35 CCCN(C)C(=O)C=CCl 11a_100000747261_200016279998 [0,1,0,0,0,0|2,0,0]=3 2423 B9R0.35 CCCN(C)C(=O)C=CCl 1626a_100000747261_200016279998 [0,1,0,0,0,0|2,0,0]=3 2424 B9R0.35 CCCN(C)C(=O)C=CCl 240690a_100000747261_200016279998 [0,1,0,0,0,0|2,0,0]=3 2425 B9R0.35 CCCN(C)C(=O)C=CI 1626a_100000747261_100016256311 [0,1,0,0,0,0|2,0,0]=3 2426 B9R0.35 CCCN(C)C(=O)COC 11a_100000747261_100000210968 [0,1,0,0,0,0|2,0,1]=4 2427 B9R0.35 CCCN(C)C(=O)COC 1626a_100000747261_100000210968 [0,1,0,0,0,0|2,0,1]=4 2428 B9R0.35 CCCN(C)C(=O)COC 240690a_100000747261_100000210968 [0,1,0,0,0,0|2,0,1]=4 2429 B9R0.35 CCCN(C)C(=O)COC 527a_100000747261_100000210968 [0,1,0,0,0,0|2,0,1]=4 2430 B9R0.35 CCCN(C)C(=O)CSC 11a_100000747261_100000184570 [0,1,0,0,0,0|2,0,1]=4 2431 B9R0.35 CCCN(C)C(=O)CSC 1626a_100000747261_100000184570 [0,1,0,0,0,0|2,0,1]=4 2432 B9R0.35 CCCN(C)C(=O)CSC 240690a_100000747261_100000184570 [0,1,0,0,0,0|2,0,1]=4 2433 B9R0.35 CCCN(C)C(=O)CSC 527a_100000747261_100000184570 [0,1,0,0,0,0|2,0,1]=4 2434 B9R0.35 CCCN(C)C(=O)NCC 2708a_100015525214_100000747261 [0,1,0,0,0,0|2,0,1]=4 2435 B9R0.35 CCCN(C)C(=O)NCC 273464a_100015525214_100000747261 [0,1,0,0,0,0|2,0,1]=4 2436 B9R0.35 CCC[C@H](O)C(=O)CC#N 1458a_100009822183_100011214920 [0,1,0,0,0,0|1,0,2]=4 2437 B9R0.35 CCC[C@H](O)C(=O)CCF 1458a_100009822183_100011217306 [0,1,0,0,0,0|1,0,2]=4 2438 B9R0.35 CCC[C@H](O)C(=O)CCO 1458a_100009822183_100000211926 [0,1,0,0,0,0|1,0,2]=4 2439 B9R0.35 CCC[C@H](O)C(=O)NCC 240690a_100015525214_100009822183 [0,1,0,0,0,0|1,0,1]=3 2440 B9R0.35 CCC[C@H](O)C(=O)NNC 22a_100016993582_100009822183 [0,1,0,0,0,0|2,0,0]=3 2441 B9R0.35 CCNC(=O)C(C)COC 11a_100015525214_100000751857 [0,1,0,0,0,0|2,0,1]=4 2442 B9R0.35 CCNC(=O)C(C)COC 240690a_100015525214_100000751857 [0,1,0,0,0,0|2,0,1]=4 2443 B9R0.35 CCNC(=O)C(C)COC 527a_100015525214_100000751857 [0,1,0,0,0,0|2,0,1]=4 2444 B9R0.35 CCNC(=O)C(C)CSC 11a_100015525214_100000753918 [0,1,0,0,0,0|2,0,1]=4 2445 B9R0.35 CCNC(=O)C(C)CSC 240690a_100015525214_100000753918 [0,1,0,0,0,0|2,0,1]=4 2446 B9R0.35 CCNC(=O)C(C)CSC 527a_100015525214_100000753918 [0,1,0,0,0,0|2,0,1]=4 2447 B9R0.35 CCNC(=O)C(C)NCC 2230a_100000736553_100000210202 [0,1,0,0,0,0|2,0,1]=4 2448 B9R0.35 CCNC(=O)C(C)NCC 2230a_100015525214_100000230173 [0,1,0,0,0,0|2,0,1]=4 2449 B9R0.35 CCNC(=O)C(C)NCC 34a_100000736553_100000210202 [0,1,0,0,0,0|2,0,1]=4 2450 B9R0.35 CCNC(=O)C(C)OCC 11a_100015525214_100000739345 [0,1,0,0,0,0|2,0,1]=4 2451 B9R0.35 CCNC(=O)C(C)OCC 240690a_100015525214_100000739345 [0,1,0,0,0,0|2,0,1]=4 2452 B9R0.35 CCNC(=O)C(C)OCC 34a_100121572206_100000230173 [0,1,0,0,0,0|2,0,1]=4 2453 B9R0.35 CCNC(=O)C(C)OCC 527a_100015525214_100000739345 [0,1,0,0,0,0|2,0,1]=4 2454 B9R0.35 CCNC(=O)C(C)SCC 11a_100015525214_100000230601 [0,1,0,0,0,0|2,0,1]=4 2455 B9R0.35 CCNC(=O)C(C)SCC 240690a_100015525214_100000230601 [0,1,0,0,0,0|2,0,1]=4 2456 B9R0.35 CCNC(=O)C(C)SCC 527a_100015525214_100000230601 [0,1,0,0,0,0|2,0,1]=4 2457 B9R0.35 CCNC(=O)C(C)SCC 62a_100000210202_100000230173 [0,1,0,0,0,0|2,0,1]=4 2458 B9R0.35 CCNC(=O)C(C)SCC 62a_100000230173_100000210202 [0,1,0,0,0,0|2,0,1]=4 2459 B9R0.35 CCNC(C)C(=O)OCC 2230a_100015525214_100011215307 [0,1,0,0,0,0|2,0,1]=4 2460 B9R0.35 CCNC(F)C(=O)OCC 2230a_100015525214_100000760018 [0,1,0,0,0,0|2,0,1]=4 2461 B9R0.35 CCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210202 [0,1,0,0,0,0|2,0,1]=4 2462 B9R0.35 CCOC(=O)C(C)OCC 34a_100121572206_100011216346 [0,1,0,0,0,0|2,0,1]=4 2463 B9R0.35 CCOC(=O)C(C)SCC 62a_100000210202_100011216346 [0,1,0,0,0,0|2,0,1]=4 2464 B9R0.35 CCOC(=O)C(C)SCC 62a_100011216346_100000210202 [0,1,0,0,0,0|2,0,1]=4 2465 B9R0.35 CCOC(=O)C(F)OCC 34a_100121572206_100000760018 [0,1,0,0,0,0|2,0,1]=4 2466 B9R0.35 CCOC(=O)C(F)SCC 62a_100000210202_100000760018 [0,1,0,0,0,0|2,0,1]=4 2467 B9R0.35 CCOC(=O)C(F)SCC 62a_100000760018_100000210202 [0,1,0,0,0,0|2,0,1]=4 2468 B9R0.35 CCOC(=O)[C@H](C)OCC 7a_100000751109_100000210202 [0,1,0,0,0,0|2,0,1]=4 2469 B9R0.35 CCOC(C)C(=O)NNC 22a_100016993582_100000739345 [0,1,0,0,0,0|3,0,0]=4 2470 B9R0.35 CCSC(C)C(=O)NNC 22a_100016993582_100000230601 [0,1,0,0,0,0|3,0,0]=4 2471 B9R0.35 CN(CCO)C(=O)C=CBr 240690a_100000210263_100016273825 [0,1,0,0,0,0|3,0,0]=4 2472 B9R0.35 CN(CCO)C(=O)C=CCl 240690a_100000210263_200016279998 [0,1,0,0,0,0|3,0,0]=4 2473 B9R0.35 CNNC(=O)C(C)COC 22a_100016993582_100000751857 [0,1,0,0,0,0|3,0,0]=4 2474 B9R0.35 CNNC(=O)C(C)CSC 22a_100016993582_100000753918 [0,1,0,0,0,0|3,0,0]=4 2475 B9R0.35 COCC(=O)C(C)CCO 1458a_100000210968_100009893172 [0,1,0,0,0,0|2,0,1]=4 2476 B9R0.35 COCC(=O)C(C)COC 1458a_100000210968_100000765312 [0,1,0,0,0,0|2,0,1]=4 2477 B9R0.35 COCC(C)C(=O)C=CBr 1458a_100016273825_100000765312 [0,1,0,0,0,0|2,0,0]=3 2478 B9R0.35 COCC(C)C(=O)C=CCl 1458a_200016279998_100000765312 [0,1,0,0,0,0|2,0,0]=3 2479 B9R0.35 COCC(C)C(=O)C=CI 1458a_100016256311_100000765312 [0,1,0,0,0,0|2,0,0]=3 2480 B9R0.35 COCC(C)C(=O)CSC 1458a_100000184570_100000765312 [0,1,0,0,0,0|2,0,1]=4 2481 B9R0.35 CSCC(=O)C(C)CCO 1458a_100000184570_100009893172 [0,1,0,0,0,0|2,0,1]=4 2482 B9R0.40 CC=CC(=NNCC)CC 4a_100000756455_100102568992 [0,1,0,0,0,0|3,0,0]=4 2483 B9R0.48 C#CCC(=O)CCC(C)C 1458a_100000181311_100000184674 [0,1,0,0,0,0|0,0,3]=4 2484 B9R0.48 C#CCC(=O)CCC(C)C 1458a_100011220946_100000210312 [0,1,0,0,0,0|0,0,3]=4 2485 B9R0.48 C#CCC(=O)CCC(C)O 1458a_100011220946_100012276601 [0,1,0,0,0,0|0,0,3]=4 2486 B9R0.48 C/C=C/C(C)OCC(C)C 34a_200102604097_100000210624 [0,1,0,0,0,0|2,0,1]=4 2487 B9R0.48 C/C=C/C(C)OCC(C)O 34a_200102604097_100011218427 [0,1,0,0,0,0|2,0,1]=4 2488 B9R0.48 C/C=C/C(C)OC[C@@H](C)O 34a_200102604097_100009817552 [0,1,0,0,0,0|2,0,1]=4 2489 B9R0.48 C=C(C)CCC(=O)C#CC 1458a_100000763181_100000730704 [0,1,0,0,0,0|0,0,3]=4 2490 B9R0.48 C=C(C)CCC(=O)C=CBr 1458a_100016273825_100000730704 [0,1,0,0,0,0|1,0,1]=3 2491 B9R0.48 C=C(C)CCC(=O)C=CC 1458a_100000210699_100000730704 [0,1,0,0,0,0|0,0,1]=2 2492 B9R0.48 C=C(C)CCC(=O)C=CCl 1458a_200016279998_100000730704 [0,1,0,0,0,0|1,0,1]=3 2493 B9R0.48 C=C(C)CCC(=O)C=CI 1458a_100016256311_100000730704 [0,1,0,0,0,0|1,0,1]=3 2494 B9R0.48 C=C(C)CCC(=O)CCC 1458a_100000211992_100000730704 [0,1,0,0,0,0|0,0,3]=4 2495 B9R0.48 C=C(C)CCC(=O)CCC 1458a_200000688413_100000210303 [0,1,0,0,0,0|0,0,3]=4 2496 B9R0.48 C=C(C)CCC(=O)COC 1458a_100000210968_100000730704 [0,1,0,0,0,0|1,0,2]=4 2497 B9R0.48 C=C(C)CCC(=O)CSC 1458a_100000184570_100000730704 [0,1,0,0,0,0|1,0,2]=4 2498 B9R0.48 C=C(C)CCC(=O)NCC 11a_100015525214_200000688413 [0,1,0,0,0,0|1,0,2]=4 2499 B9R0.48 C=C(C)CCC(=O)NCC 240690a_100015525214_200000688413 [0,1,0,0,0,0|1,0,2]=4 2500 B9R0.48 C=C(C)CCC(=O)NCC 527a_100015525214_200000688413 [0,1,0,0,0,0|1,0,2]=4 2501 B9R0.48 C=C(C)CCC(=O)NNC 22a_100016993582_200000688413 [0,1,0,0,0,0|2,0,1]=4 2502 B9R0.48 C=C(C)CNC(=O)C=CBr 1626a_100000765925_100016273825 [0,1,0,0,0,0|2,0,1]=4 2503 B9R0.48 C=C(C)CNC(=O)C=CBr 240690a_100000765925_100016273825 [0,1,0,0,0,0|2,0,1]=4 2504 B9R0.48 C=C(C)CNC(=O)C=CC 11a_100000765925_100000210699 [0,1,0,0,0,0|1,0,1]=3 2505 B9R0.48 C=C(C)CNC(=O)C=CC 1626a_100000765925_100000210699 [0,1,0,0,0,0|1,0,1]=3 2506 B9R0.48 C=C(C)CNC(=O)C=CC 240690a_100000765925_100000210699 [0,1,0,0,0,0|1,0,1]=3 2507 B9R0.48 C=C(C)CNC(=O)C=CCl 11a_100000765925_200016279998 [0,1,0,0,0,0|2,0,1]=4 2508 B9R0.48 C=C(C)CNC(=O)C=CCl 1626a_100000765925_200016279998 [0,1,0,0,0,0|2,0,1]=4 2509 B9R0.48 C=C(C)CNC(=O)C=CCl 240690a_100000765925_200016279998 [0,1,0,0,0,0|2,0,1]=4 2510 B9R0.48 C=C(C)CNC(=O)C=CI 1626a_100000765925_100016256311 [0,1,0,0,0,0|2,0,1]=4 2511 B9R0.48 C=CCC(=O)CCC(=C)C 1458a_100000210193_100000730704 [0,1,0,0,0,0|0,0,3]=4 2512 B9R0.48 C=CCC(=O)CCC(=C)C 1458a_200000688413_100000210623 [0,1,0,0,0,0|0,0,3]=4 2513 B9R0.48 C=CCC(=O)CCC(C)C 1458a_100000181311_100000210623 [0,1,0,0,0,0|0,0,2]=3 2514 B9R0.48 C=CCC(=O)CCC(C)C 1458a_100000210193_100000210312 [0,1,0,0,0,0|0,0,2]=3 2515 B9R0.48 C=CCC(=O)CCC(C)O 1458a_100000210193_100012276601 [0,1,0,0,0,0|0,0,2]=3 2516 B9R0.48 C=CCC(=O)CC[S+](C)C 1458a_100009452791_100000210623 [0,1,0,0,0,0|1,0,2]=4 2517 B9R0.48 C=CCC(=O)COC(C)C 1458a_100000745533_100000210623 [0,1,0,0,0,0|1,0,2]=4 2518 B9R0.48 C=CCC(=O)CSC(C)C 1458a_100000241585_100000210623 [0,1,0,0,0,0|1,0,2]=4 2519 B9R0.48 C=CCC(=O)NCC(C)C 11a_100000210953_100000210193 [0,1,0,0,0,0|1,0,2]=4 2520 B9R0.48 C=CCC(=O)NCC(C)C 1626a_100000210953_100000210193 [0,1,0,0,0,0|1,0,2]=4 2521 B9R0.48 C=CCC(=O)NCC(C)C 240690a_100000210953_100000210193 [0,1,0,0,0,0|1,0,2]=4 2522 B9R0.48 C=CCC(=O)NCC(C)C 527a_100000210953_100000210193 [0,1,0,0,0,0|1,0,2]=4 2523 B9R0.48 C=CCC(=O)NCC(C)O 11a_100000210904_100000210193 [0,1,0,0,0,0|1,0,2]=4 2524 B9R0.48 C=CCC(=O)NCC(C)O 240690a_100000210904_100000210193 [0,1,0,0,0,0|1,0,2]=4 2525 B9R0.48 C=CCC(=O)NCC(C)O 527a_100000210904_100000210193 [0,1,0,0,0,0|1,0,2]=4 2526 B9R0.48 C=COC(=O)CNC(C)C 2230a_100138425928_100000036128 [0,1,0,0,0,0|2,0,1]=4 2527 B9R0.48 C=COC(=O)CNC(C)C 34a_100138425928_100000036128 [0,1,0,0,0,0|2,0,1]=4 2528 B9R0.48 C=COC(=O)COC(C)C 34a_100000212225_100000036128 [0,1,0,0,0,0|2,0,1]=4 2529 B9R0.48 C=COC(=O)CSC(C)C 62a_100000036128_100000210206 [0,1,0,0,0,0|2,0,1]=4 2530 B9R0.48 C=COC(=O)CSC(C)C 62a_100000210206_100000036128 [0,1,0,0,0,0|2,0,1]=4 2531 B9R0.48 CC#CC(=O)CCC(C)C 1458a_100000763181_100000210312 [0,1,0,0,0,0|0,0,2]=3 2532 B9R0.48 CC#CC(=O)CCC(C)O 1458a_100000763181_100012276601 [0,1,0,0,0,0|0,0,2]=3 2533 B9R0.48 CC(=CCC(=O)C=CBr)C 1458a_100016273825_100000761012 [0,1,0,0,0,0|1,0,2]=4 2534 B9R0.48 CC(=CCC(=O)C=CCl)C 1458a_200016279998_100000761012 [0,1,0,0,0,0|1,0,2]=4 2535 B9R0.48 CC(=CCC(=O)C=CI)C 1458a_100016256311_100000761012 [0,1,0,0,0,0|1,0,2]=4 2536 B9R0.48 CC(C)CCC(=O)C=CBr 1458a_100016273825_100000210312 [0,1,0,0,0,0|1,0,0]=2 2537 B9R0.48 CC(C)CCC(=O)C=CCl 1458a_200016279998_100000210312 [0,1,0,0,0,0|1,0,0]=2 2538 B9R0.48 CC(C)CCC(=O)C=CI 1458a_100016256311_100000210312 [0,1,0,0,0,0|1,0,0]=2 2539 B9R0.48 CC(C)CCC(=O)CC#N 1458a_100000181311_100011214920 [0,1,0,0,0,0|1,0,2]=4 2540 B9R0.48 CC(C)CCC(=O)CC#N 1458a_100051588842_100000210312 [0,1,0,0,0,0|1,0,2]=4 2541 B9R0.48 CC(C)CCC(=O)CCF 1458a_100000181311_100011217306 [0,1,0,0,0,0|1,0,2]=4 2542 B9R0.48 CC(C)CCC(=O)CCO 1458a_100000181311_100000211926 [0,1,0,0,0,0|1,0,2]=4 2543 B9R0.48 CC(C)CCC(=O)CCO 1458a_100011216618_100000210312 [0,1,0,0,0,0|1,0,2]=4 2544 B9R0.48 CC(C)CNC(=O)C=CBr 1626a_100000210953_100016273825 [0,1,0,0,0,0|2,0,0]=3 2545 B9R0.48 CC(C)CNC(=O)C=CBr 240690a_100000210953_100016273825 [0,1,0,0,0,0|2,0,0]=3 2546 B9R0.48 CC(C)CNC(=O)C=CCl 11a_100000210953_200016279998 [0,1,0,0,0,0|2,0,0]=3 2547 B9R0.48 CC(C)CNC(=O)C=CCl 1626a_100000210953_200016279998 [0,1,0,0,0,0|2,0,0]=3 2548 B9R0.48 CC(C)CNC(=O)C=CCl 240690a_100000210953_200016279998 [0,1,0,0,0,0|2,0,0]=3 2549 B9R0.48 CC(C)CNC(=O)C=CI 1626a_100000210953_100016256311 [0,1,0,0,0,0|2,0,0]=3 2550 B9R0.48 CC(C)CNC(=O)CS[13CH3] 62a_100000183291_200025704644 [0,1,0,0,0,0|2,0,1]=4 2551 B9R0.48 CC(C)CNC(=O)CS[13CH3] 62a_200025704644_100000183291 [0,1,0,0,0,0|2,0,1]=4 2552 B9R0.48 CC(O)CCC(=O)C=CBr 1458a_100016273825_100012276601 [0,1,0,0,0,0|1,0,0]=2 2553 B9R0.48 CC(O)CCC(=O)C=CCl 1458a_200016279998_100012276601 [0,1,0,0,0,0|1,0,0]=2 2554 B9R0.48 CC(O)CCC(=O)C=CI 1458a_100016256311_100012276601 [0,1,0,0,0,0|1,0,0]=2 2555 B9R0.48 CC(O)CCC(=O)CC#N 1458a_100051588842_100012276601 [0,1,0,0,0,0|1,0,2]=4 2556 B9R0.48 CC(O)CCC(=O)CCO 1458a_100011216618_100012276601 [0,1,0,0,0,0|1,0,2]=4 2557 B9R0.48 CC(O)CNC(=O)C=CBr 240690a_100000210904_100016273825 [0,1,0,0,0,0|2,0,0]=3 2558 B9R0.48 CC(O)CNC(=O)C=CCl 11a_100000210904_200016279998 [0,1,0,0,0,0|2,0,0]=3 2559 B9R0.48 CC(O)CNC(=O)C=CCl 240690a_100000210904_200016279998 [0,1,0,0,0,0|2,0,0]=3 2560 B9R0.48 CC=CC(=NNC(C)C)C 4a_100000741168_100011218416 [0,1,0,0,0,0|3,0,0]=4 2561 B9R0.48 CC=CC(=O)CC=C(C)C 1458a_100000210699_100000761012 [0,1,0,0,0,0|0,0,2]=3 2562 B9R0.48 CC=CC(=O)CCC(C)C 1458a_100000210699_100000210312 [0,1,0,0,0,0|0,0,0]=1 2563 B9R0.48 CC=CC(=O)CCC(C)O 1458a_100000210699_100012276601 [0,1,0,0,0,0|0,0,0]=1 2564 B9R0.48 CC=CC(=O)NCC(=O)N 11a_100000711301_100000210699 [0,1,0,0,0,0|2,0,1]=4 2565 B9R0.48 CC=CC(=O)NCC(=O)N 240690a_100000711301_100000210699 [0,1,0,0,0,0|2,0,1]=4 2566 B9R0.48 CC=CC(=O)NCC(C)C 11a_100000210953_100000210699 [0,1,0,0,0,0|1,0,0]=2 2567 B9R0.48 CC=CC(=O)NCC(C)C 1626a_100000210953_100000210699 [0,1,0,0,0,0|1,0,0]=2 2568 B9R0.48 CC=CC(=O)NCC(C)C 240690a_100000210953_100000210699 [0,1,0,0,0,0|1,0,0]=2 2569 B9R0.48 CC=CC(=O)NCC(C)O 11a_100000210904_100000210699 [0,1,0,0,0,0|1,0,0]=2 2570 B9R0.48 CC=CC(=O)NCC(C)O 240690a_100000210904_100000210699 [0,1,0,0,0,0|1,0,0]=2 2571 B9R0.48 CC=CC(=O)NCC(F)F 11a_100000765723_100000210699 [0,1,0,0,0,0|2,0,0]=3 2572 B9R0.48 CC=CC(=O)NCC(F)F 1626a_100000765723_100000210699 [0,1,0,0,0,0|2,0,0]=3 2573 B9R0.48 CC=CC(=O)NCC(F)F 240690a_100000765723_100000210699 [0,1,0,0,0,0|2,0,0]=3 2574 B9R0.48 CC=CC(=O)NNC(=O)C 22a_100000189765_100000210699 [0,1,0,0,0,0|2,0,1]=4 2575 B9R0.48 CC=CC(=O)NNC(C)C 22a_100000741168_100000210699 [0,1,0,0,0,0|2,0,0]=3 2576 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000181311_100000210303 [0,1,0,0,0,0|0,0,2]=3 2577 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000211992_100000210312 [0,1,0,0,0,0|0,0,2]=3 2578 B9R0.48 CCCC(=O)CCC(C)O 1458a_100000211992_100012276601 [0,1,0,0,0,0|0,0,2]=3 2579 B9R0.48 CCCC(=O)CC[S+](C)C 1458a_100009452791_100000210303 [0,1,0,0,0,0|1,0,2]=4 2580 B9R0.48 CCCC(=O)CNC(C)C 2230a_100138425928_100000747444 [0,1,0,0,0,0|1,0,2]=4 2581 B9R0.48 CCCC(=O)COC(C)C 1458a_100000745533_100000210303 [0,1,0,0,0,0|1,0,2]=4 2582 B9R0.48 CCCC(=O)CSC(C)C 1458a_100000241585_100000210303 [0,1,0,0,0,0|1,0,2]=4 2583 B9R0.48 CCCC(=O)CSC(C)C 62a_100000210206_100000747444 [0,1,0,0,0,0|1,0,2]=4 2584 B9R0.48 CCCC(=O)CSC(C)C 62a_100000747444_100000210206 [0,1,0,0,0,0|1,0,2]=4 2585 B9R0.48 CCCC(=O)NCC(C)C 11a_100000210953_100000211992 [0,1,0,0,0,0|1,0,2]=4 2586 B9R0.48 CCCC(=O)NCC(C)C 1626a_100000210953_100000211992 [0,1,0,0,0,0|1,0,2]=4 2587 B9R0.48 CCCC(=O)NCC(C)C 240690a_100000210953_100000211992 [0,1,0,0,0,0|1,0,2]=4 2588 B9R0.48 CCCC(=O)NCC(C)C 527a_100000210953_100000211992 [0,1,0,0,0,0|1,0,2]=4 2589 B9R0.48 CCCC(=O)NCC(C)O 11a_100000210904_100000211992 [0,1,0,0,0,0|1,0,2]=4 2590 B9R0.48 CCCC(=O)NCC(C)O 240690a_100000210904_100000211992 [0,1,0,0,0,0|1,0,2]=4 2591 B9R0.48 CCCC(=O)NCC(C)O 527a_100000210904_100000211992 [0,1,0,0,0,0|1,0,2]=4 2592 B9R0.48 CCNC(=O)CCC(=O)C 1458a_100000199579_200000210301 [0,1,0,0,0,0|1,0,2]=4 2593 B9R0.48 CCNC(=O)CCC(=O)[13CH3] 1458a_100000199579_200025704644 [0,1,0,0,0,0|1,0,2]=4 2594 B9R0.48 CCNC(=O)CCC(C)C 11a_100015525214_100000181311 [0,1,0,0,0,0|1,0,1]=3 2595 B9R0.48 CCNC(=O)CCC(C)C 240690a_100015525214_100000181311 [0,1,0,0,0,0|1,0,1]=3 2596 B9R0.48 CCNC(=O)CCC(C)C 527a_100015525214_100000181311 [0,1,0,0,0,0|1,0,1]=3 2597 B9R0.48 CCNC(=O)CCN(C)C 11a_100015525214_100000689311 [0,1,0,0,0,0|2,0,1]=4 2598 B9R0.48 CCNC(=O)CCN(C)C 2230a_100102631434_100000737597 [0,1,0,0,0,0|2,0,1]=4 2599 B9R0.48 CCNC(=O)CCN(C)C 240690a_100015525214_100000689311 [0,1,0,0,0,0|2,0,1]=4 2600 B9R0.48 CCNC(=O)CCN(C)C 269982a_100102631434_100000737597 [0,1,0,0,0,0|2,0,1]=4 2601 B9R0.48 CCNC(=O)CCN(C)C 527a_100015525214_100000689311 [0,1,0,0,0,0|2,0,1]=4 2602 B9R0.48 CCNC(=O)CC[S+](C)C 11a_100015525214_100009452791 [0,1,0,0,0,0|2,0,1]=4 2603 B9R0.48 CCNC(=O)CC[S+](C)C 240690a_100015525214_100009452791 [0,1,0,0,0,0|2,0,1]=4 2604 B9R0.48 CCNC(=O)CNC(C)C 2230a_100016988866_100000210206 [0,1,0,0,0,0|2,0,1]=4 2605 B9R0.48 CCNC(=O)CNC(C)C 2230a_100138425928_100000183381 [0,1,0,0,0,0|2,0,1]=4 2606 B9R0.48 CCNC(=O)CNC(C)C 34a_100138425928_100000183381 [0,1,0,0,0,0|2,0,1]=4 2607 B9R0.48 CCNC(=O)COC(C)C 11a_100015525214_100000745533 [0,1,0,0,0,0|2,0,1]=4 2608 B9R0.48 CCNC(=O)COC(C)C 240690a_100015525214_100000745533 [0,1,0,0,0,0|2,0,1]=4 2609 B9R0.48 CCNC(=O)COC(C)C 34a_100000212225_100000183381 [0,1,0,0,0,0|2,0,1]=4 2610 B9R0.48 CCNC(=O)COC(C)C 527a_100015525214_100000745533 [0,1,0,0,0,0|2,0,1]=4 2611 B9R0.48 CCNC(=O)CSC(C)C 11a_100015525214_100000241585 [0,1,0,0,0,0|2,0,1]=4 2612 B9R0.48 CCNC(=O)CSC(C)C 240690a_100015525214_100000241585 [0,1,0,0,0,0|2,0,1]=4 2613 B9R0.48 CCNC(=O)CSC(C)C 527a_100015525214_100000241585 [0,1,0,0,0,0|2,0,1]=4 2614 B9R0.48 CCNC(=O)CSC(C)C 62a_100000183381_100000210206 [0,1,0,0,0,0|2,0,1]=4 2615 B9R0.48 CCNC(=O)CSC(C)C 62a_100000210206_100000183381 [0,1,0,0,0,0|2,0,1]=4 2616 B9R0.48 CCNC(=O)NCC(C)C 2708a_100000210953_100015525214 [0,1,0,0,0,0|2,0,1]=4 2617 B9R0.48 CCNC(=O)NCC(C)C 2708a_100015525214_100000210953 [0,1,0,0,0,0|2,0,1]=4 2618 B9R0.48 CCNC(=O)NCC(C)C 273464a_100000210953_100015525214 [0,1,0,0,0,0|2,0,1]=4 2619 B9R0.48 CCNC(=O)NCC(C)C 273464a_100015525214_100000210953 [0,1,0,0,0,0|2,0,1]=4 2620 B9R0.48 CCNC(=O)NCC(C)C 512a_100000210953_100015525214 [0,1,0,0,0,0|2,0,1]=4 2621 B9R0.48 CCNC(=O)NCC(C)C 512a_100015525214_100000210953 [0,1,0,0,0,0|2,0,1]=4 2622 B9R0.48 CCNC(=O)NCC(C)O 2708a_100015525214_100000210904 [0,1,0,0,0,0|2,0,1]=4 2623 B9R0.48 CCNC(=O)NCC(C)O 273464a_100000210904_100015525214 [0,1,0,0,0,0|2,0,1]=4 2624 B9R0.48 CCNC(=O)NCC(C)O 273464a_100015525214_100000210904 [0,1,0,0,0,0|2,0,1]=4 2625 B9R0.48 CCNC(=O)NCC(C)O 512a_100000210904_100015525214 [0,1,0,0,0,0|2,0,1]=4 2626 B9R0.48 CCNC(=O)NCC(C)O 512a_100015525214_100000210904 [0,1,0,0,0,0|2,0,1]=4 2627 B9R0.48 CCOC(=O)CCC(=O)C 1458a_100000183558_200000210301 [0,1,0,0,0,0|1,0,2]=4 2628 B9R0.48 CCOC(=O)CCC(=O)[13CH3] 1458a_100000183558_200025704644 [0,1,0,0,0,0|1,0,2]=4 2629 B9R0.48 CCOC(=O)CCN(C)C 2230a_100000745921_200000210301 [0,1,0,0,0,0|2,0,1]=4 2630 B9R0.48 CCOC(=O)CCN(C)C 2230a_100102631434_100011206558 [0,1,0,0,0,0|2,0,1]=4 2631 B9R0.48 CCOC(=O)CCN(C)C 269982a_100000745921_200000210301 [0,1,0,0,0,0|2,0,1]=4 2632 B9R0.48 CCOC(=O)CCN(C)C 269982a_100102631434_100011206558 [0,1,0,0,0,0|2,0,1]=4 2633 B9R0.48 CCOC(=O)CCN(C)[13CH3] 2230a_100000745921_200025704644 [0,1,0,0,0,0|2,0,1]=4 2634 B9R0.48 CCOC(=O)CCN(C)[13CH3] 269982a_100000745921_200025704644 [0,1,0,0,0,0|2,0,1]=4 2635 B9R0.48 CCOC(=O)CNC(C)C 2230a_100138425928_100000188475 [0,1,0,0,0,0|2,0,1]=4 2636 B9R0.48 CCOC(=O)CNC(C)C 34a_100138425928_100000188475 [0,1,0,0,0,0|2,0,1]=4 2637 B9R0.48 CCOC(=O)COC(C)C 34a_100000212225_100000188475 [0,1,0,0,0,0|2,0,1]=4 2638 B9R0.48 CCOC(=O)CSC(C)C 62a_100000188475_100000210206 [0,1,0,0,0,0|2,0,1]=4 2639 B9R0.48 CCOC(=O)CSC(C)C 62a_100000210206_100000188475 [0,1,0,0,0,0|2,0,1]=4 2640 B9R0.48 CNCC(=O)NCC(C)C 2230a_106832991635_100000183291 [0,1,0,0,0,0|2,0,1]=4 2641 B9R0.48 CNCC(=O)NCC(C)C 34a_100102657272_100000183291 [0,1,0,0,0,0|2,0,1]=4 2642 B9R0.48 CNCC(=O)NCC(C)C 7a_106832991635_100000183291 [0,1,0,0,0,0|2,0,1]=4 2643 B9R0.48 CNNC(=O)CCC(C)C 22a_100016993582_100000181311 [0,1,0,0,0,0|2,0,0]=3 2644 B9R0.48 CNNC(=O)CCN(C)C 22a_100016993582_100000689311 [0,1,0,0,0,0|3,0,0]=4 2645 B9R0.48 CNNC(=O)CC[S+](C)C 22a_100016993582_100009452791 [0,1,0,0,0,0|3,0,0]=4 2646 B9R0.48 CNNC(=O)COC(C)C 22a_100016993582_100000745533 [0,1,0,0,0,0|3,0,0]=4 2647 B9R0.48 CNNC(=O)CSC(C)C 22a_100016993582_100000241585 [0,1,0,0,0,0|3,0,0]=4 2648 B9R0.48 CNNC(=O)NCC(C)C 273464a_100000210953_100016993582 [0,1,0,0,0,0|3,0,0]=4 2649 B9R0.48 CNNC(=O)NCC(C)C 512a_100000210953_100016993582 [0,1,0,0,0,0|3,0,0]=4 2650 B9R0.48 CNNC(=O)NCC(C)C 512a_100016993582_100000210953 [0,1,0,0,0,0|3,0,0]=4 2651 B9R0.48 CNNC(=O)NCC(C)O 273464a_100000210904_100016993582 [0,1,0,0,0,0|3,0,0]=4 2652 B9R0.48 CNNC(=O)NCC(C)O 512a_100000210904_100016993582 [0,1,0,0,0,0|3,0,0]=4 2653 B9R0.48 CNNC(=O)NCC(C)O 512a_100016993582_100000210904 [0,1,0,0,0,0|3,0,0]=4 2654 B9R0.48 COCC(=O)CCC(C)C 1458a_100000210968_100000210312 [0,1,0,0,0,0|1,0,1]=3 2655 B9R0.48 COCC(=O)CCC(C)O 1458a_100000210968_100012276601 [0,1,0,0,0,0|1,0,1]=3 2656 B9R0.48 COCC(=O)NCC(C)C 11a_100000210953_100000210968 [0,1,0,0,0,0|2,0,1]=4 2657 B9R0.48 COCC(=O)NCC(C)C 1626a_100000210953_100000210968 [0,1,0,0,0,0|2,0,1]=4 2658 B9R0.48 COCC(=O)NCC(C)C 240690a_100000210953_100000210968 [0,1,0,0,0,0|2,0,1]=4 2659 B9R0.48 COCC(=O)NCC(C)C 34a_100138415774_100000183291 [0,1,0,0,0,0|2,0,1]=4 2660 B9R0.48 COCC(=O)NCC(C)C 527a_100000210953_100000210968 [0,1,0,0,0,0|2,0,1]=4 2661 B9R0.48 COCC(=O)NCC(C)O 11a_100000210904_100000210968 [0,1,0,0,0,0|2,0,1]=4 2662 B9R0.48 COCC(=O)NCC(C)O 240690a_100000210904_100000210968 [0,1,0,0,0,0|2,0,1]=4 2663 B9R0.48 COCC(=O)NCC(C)O 527a_100000210904_100000210968 [0,1,0,0,0,0|2,0,1]=4 2664 B9R0.48 CSCC(=O)CCC(C)C 1458a_100000184570_100000210312 [0,1,0,0,0,0|1,0,1]=3 2665 B9R0.48 CSCC(=O)CCC(C)O 1458a_100000184570_100012276601 [0,1,0,0,0,0|1,0,1]=3 2666 B9R0.48 CSCC(=O)NCC(C)C 11a_100000210953_100000184570 [0,1,0,0,0,0|2,0,1]=4 2667 B9R0.48 CSCC(=O)NCC(C)C 1626a_100000210953_100000184570 [0,1,0,0,0,0|2,0,1]=4 2668 B9R0.48 CSCC(=O)NCC(C)C 240690a_100000210953_100000184570 [0,1,0,0,0,0|2,0,1]=4 2669 B9R0.48 CSCC(=O)NCC(C)C 527a_100000210953_100000184570 [0,1,0,0,0,0|2,0,1]=4 2670 B9R0.48 CSCC(=O)NCC(C)C 62a_100000183291_200000210301 [0,1,0,0,0,0|2,0,1]=4 2671 B9R0.48 CSCC(=O)NCC(C)C 62a_200000210301_100000183291 [0,1,0,0,0,0|2,0,1]=4 2672 B9R0.48 CSCC(=O)NCC(C)O 11a_100000210904_100000184570 [0,1,0,0,0,0|2,0,1]=4 2673 B9R0.48 CSCC(=O)NCC(C)O 240690a_100000210904_100000184570 [0,1,0,0,0,0|2,0,1]=4 2674 B9R0.48 CSCC(=O)NCC(C)O 527a_100000210904_100000184570 [0,1,0,0,0,0|2,0,1]=4 2675 B9R0.48 O=C(C=CBr)NCC(F)F 1626a_100000765723_100016273825 [0,1,0,0,0,0|3,0,0]=4 2676 B9R0.48 O=C(C=CBr)NCC(F)F 240690a_100000765723_100016273825 [0,1,0,0,0,0|3,0,0]=4 2677 B9R0.48 O=C(C=CCl)NCC(F)F 11a_100000765723_200016279998 [0,1,0,0,0,0|3,0,0]=4 2678 B9R0.48 O=C(C=CCl)NCC(F)F 1626a_100000765723_200016279998 [0,1,0,0,0,0|3,0,0]=4 2679 B9R0.48 O=C(C=CCl)NCC(F)F 240690a_100000765723_200016279998 [0,1,0,0,0,0|3,0,0]=4 2680 B9R0.48 O=C(C=CI)NCC(F)F 1626a_100000765723_100016256311 [0,1,0,0,0,0|3,0,0]=4 2681 B9R0.66 CCCCS(=O)(=O)NCC 270084a_100015525214_100000212082 [0,1,0,0,0,0|2,0,1]=4 2682 B9R0.66 CCCCS(=O)(=O)NCC 274078a_100015525214_100000212082 [0,1,0,0,0,0|2,0,1]=4 2683 B9R0.66 CCCCS(=O)(=O)NCC 40a_100015525214_100000054263 [0,1,0,0,0,0|2,0,1]=4 2684 B9R0.66 CCCCS(=O)(=O)NNC 40a_100016993582_100000054263 [0,1,0,0,0,0|3,0,0]=4 2685 B9R1.2 CCN1CCC=C(C1)C 2230a_100000725631_100000210202 [0,0,0,1,0,0|2,0,1]=4 2686 B9R1.2 CCN1CCC=C(C1)C 269982a_100000725631_100000204670 [0,0,0,1,0,0|2,0,1]=4 2687 B9R1.2 CCN1CCC=C(C1)C 34a_100000725631_100000210202 [0,0,0,1,0,0|2,0,1]=4 2688 B9R1.2 CCN1CCNC(=O)C1 2230a_100000184651_100000210202 [0,0,0,1,0,0|2,0,1]=4 2689 B9R1.2 CCN1CCOC(=O)C1 2230a_100000131268_100000210202 [0,0,0,1,0,0|2,0,1]=4 2690 B9R1.2 CNC1CCNC(=O)C1 2230a_100016994916_200000210301 [0,0,0,1,0,0|2,0,1]=4 2691 B9R1.2 CNC1CCNC(=O)C1 34a_100016994916_200000210301 [0,0,0,1,0,0|2,0,1]=4 2692 B9R1.2 COC1CCCC(=O)C1 34a_100012613340_200000210301 [0,0,0,1,0,0|1,0,2]=4 2693 B9R1.2 CO[C@@H]1CCNC(=O)C1 34a_100015189427_200000210301 [0,0,0,1,0,0|2,0,1]=4 2694 B9R1.2 [13CH3]NC1CCNC(=O)C1 2230a_100016994916_200025704644 [0,0,0,1,0,0|2,0,1]=4 2695 B9R1.2 [13CH3]NC1CCNC(=O)C1 34a_100016994916_200025704644 [0,0,0,1,0,0|2,0,1]=4 2696 B9R1.2 [13CH3]OC1CCCC(=O)C1 34a_100012613340_200025704644 [0,0,0,1,0,0|1,0,2]=4 2697 B9R1.2 [13CH3]O[C@@H]1CCNC(=O)C1 34a_100015189427_200025704644 [0,0,0,1,0,0|2,0,1]=4 2698 B9R1.12 CCCCc1c[nH]cn1 271570a_100020621405_100000756875 [0,0,0,1,0,0|2,0,1]=4 2699 B9R1.12 CCCCc1cc[nH]n1 271570a_100020621405_100000062575 [0,0,0,1,0,0|2,0,0]=3 2700 B9R1.12 CCCCc1ccco1 271570a_100020621405_100009814098 [0,0,0,1,0,0|0,0,2]=3 2701 B9R1.12 CCCCc1cccs1 271570a_100020621405_100011215356 [0,0,0,1,0,0|0,1,1]=3 2702 B9R1.12 CCCCc1ccoc1 271570a_100020621405_100011215275 [0,0,0,1,0,0|2,0,0]=3 2703 B9R1.12 CCCCc1ccsc1 271570a_100020621405_100000738268 [0,0,0,1,0,0|2,0,0]=3 2704 B9R1.12 CCCCc1ccsn1 271570a_100020621405_100009818082 [0,0,0,1,0,0|2,0,0]=3 2705 B9R1.12 CCCCc1cn[nH]c1 271570a_100020621405_100000238712 [0,0,0,1,0,0|3,0,0]=4 2706 B9R1.12 CCCCc1cnco1 271570a_100020621405_100020591547 [0,0,0,1,0,0|1,0,2]=4 2707 B9R1.12 CCCCc1cncs1 271570a_100020621405_100011934649 [0,0,0,1,0,0|1,1,1]=4 2708 B9R1.12 CCCCc1cnoc1 271570a_100020621405_100009815712 [0,0,0,1,0,0|3,0,0]=4 2709 B9R1.12 CCCCc1cnsc1 271570a_100020621405_100009815736 [0,0,0,1,0,0|3,0,0]=4 2710 B9R1.12 CCCCc1cscn1 271570a_100020621405_100000751502 [0,0,0,1,0,0|2,0,1]=4 2711 B9R1.12 CCCCc1nc[nH]n1 271570a_100020621405_100000761765 [0,0,0,1,0,0|3,0,0]=4 2712 B9R1.12 CCCCc1ncc[nH]1 271570a_100020621405_100025796157 [0,0,0,1,0,0|2,0,1]=4 2713 B9R1.12 CCCCc1ncco1 271570a_100020621405_100011787736 [0,0,0,1,0,0|1,0,2]=4 2714 B9R1.12 CCCCc1nccs1 271570a_100020621405_100000211983 [0,0,0,1,0,0|1,1,1]=4 2715 B9R1.12 CCCCc1ncns1 271570a_100020621405_100000693119 [0,0,0,1,0,0|2,1,0]=4 2716 B9R1.12 CCCCc1nncs1 271570a_100020621405_100000739804 [0,0,0,1,0,0|3,0,0]=4 2717 B9R1.12 CCCOc1ccsc1 34a_100000106738_100000210303 [0,0,0,1,0,0|3,0,0]=4 2718 B9R1.12 CCCOc1ccsc1 7a_100000106738_100000210303 [0,0,0,1,0,0|3,0,0]=4 2719 B9R1.12 CCCSc1cc[nH]n1 62a_100000062575_100000210303 [0,0,0,1,0,0|3,0,0]=4 2720 B9R1.12 CCCSc1cc[nH]n1 62a_100000210303_100000062575 [0,0,0,1,0,0|3,0,0]=4 2721 B9R1.12 CCCSc1ccco1 62a_100000210303_100009814098 [0,0,0,1,0,0|1,0,2]=4 2722 B9R1.12 CCCSc1ccco1 62a_100009814098_100000210303 [0,0,0,1,0,0|1,0,2]=4 2723 B9R1.12 CCCSc1cccs1 62a_100000210303_100011215356 [0,0,0,1,0,0|1,1,1]=4 2724 B9R1.12 CCCSc1cccs1 62a_100011215356_100000210303 [0,0,0,1,0,0|1,1,1]=4 2725 B9R1.12 CCCSc1ccoc1 62a_100000210303_100011215275 [0,0,0,1,0,0|3,0,0]=4 2726 B9R1.12 CCCSc1ccoc1 62a_100011215275_100000210303 [0,0,0,1,0,0|3,0,0]=4 2727 B9R1.12 CCCSc1ccon1 62a_100000210303_100009818083 [0,0,0,1,0,0|3,0,0]=4 2728 B9R1.12 CCCSc1ccon1 62a_100009818083_100000210303 [0,0,0,1,0,0|3,0,0]=4 2729 B9R1.12 CCCSc1ccsc1 62a_100000210303_100000738268 [0,0,0,1,0,0|3,0,0]=4 2730 B9R1.12 CCCSc1ccsc1 62a_100000738268_100000210303 [0,0,0,1,0,0|3,0,0]=4 2731 B9R1.12 CCCSc1ccsn1 62a_100000210303_100009818082 [0,0,0,1,0,0|3,0,0]=4 2732 B9R1.12 CCCSc1ccsn1 62a_100009818082_100000210303 [0,0,0,1,0,0|3,0,0]=4 2733 B9R1.12 CCNCc1cc[nH]n1 207a_100015525214_100000738523 [0,0,0,1,0,0|3,0,0]=4 2734 B9R1.12 CCNCc1cc[nH]n1 270004a_100015525214_100000738523 [0,0,0,1,0,0|3,0,0]=4 2735 B9R1.12 CCNCc1ccco1 207a_100015525214_100000186105 [0,0,0,1,0,0|1,0,2]=4 2736 B9R1.12 CCNCc1ccco1 2230a_100000185738_100000210202 [0,0,0,1,0,0|1,0,2]=4 2737 B9R1.12 CCNCc1ccco1 270004a_100015525214_100000186105 [0,0,0,1,0,0|1,0,2]=4 2738 B9R1.12 CCNCc1ccco1 34a_100000185738_100000210202 [0,0,0,1,0,0|1,0,2]=4 2739 B9R1.12 CCNCc1cccs1 207a_100015525214_100000209959 [0,0,0,1,0,0|1,1,1]=4 2740 B9R1.12 CCNCc1cccs1 2230a_100000211653_100000210202 [0,0,0,1,0,0|1,1,1]=4 2741 B9R1.12 CCNCc1cccs1 270004a_100015525214_100000209959 [0,0,0,1,0,0|1,1,1]=4 2742 B9R1.12 CCNCc1ccn[nH]1 2230a_100015525214_100000728653 [0,0,0,1,0,0|3,0,0]=4 2743 B9R1.12 CCNCc1ccoc1 207a_100015525214_100011215517 [0,0,0,1,0,0|3,0,0]=4 2744 B9R1.12 CCNCc1ccoc1 2230a_100015206860_100000210202 [0,0,0,1,0,0|3,0,0]=4 2745 B9R1.12 CCNCc1ccoc1 270004a_100015525214_100011215517 [0,0,0,1,0,0|3,0,0]=4 2746 B9R1.12 CCNCc1ccoc1 34a_100015206860_100000210202 [0,0,0,1,0,0|3,0,0]=4 2747 B9R1.12 CCNCc1ccon1 2230a_100015525214_100000234950 [0,0,0,1,0,0|3,0,0]=4 2748 B9R1.12 CCNCc1ccsc1 207a_100015525214_100000188534 [0,0,0,1,0,0|3,0,0]=4 2749 B9R1.12 CCNCc1ccsc1 2230a_100000186416_100000210202 [0,0,0,1,0,0|3,0,0]=4 2750 B9R1.12 CCNCc1ccsc1 2230a_100015525214_100011261437 [0,0,0,1,0,0|3,0,0]=4 2751 B9R1.12 CCNCc1ccsc1 270004a_100015525214_100000188534 [0,0,0,1,0,0|3,0,0]=4 2752 B9R1.12 CCNCc1ccsc1 34a_100000186416_100000210202 [0,0,0,1,0,0|3,0,0]=4 2753 B9R1.12 CCNN=C1C=CCC1 4a_100000756455_100000239507 [0,0,0,1,0,0|3,0,0]=4 2754 B9R1.12 CCOCc1ccco1 34a_100000210059_100000210202 [0,0,0,1,0,0|1,0,2]=4 2755 B9R1.12 CCOCc1cccs1 34a_100000211240_100000210202 [0,0,0,1,0,0|1,1,1]=4 2756 B9R1.12 CCOCc1ccn[nH]1 34a_100121572206_100000728653 [0,0,0,1,0,0|3,0,0]=4 2757 B9R1.12 CCOCc1ccno1 34a_100000740478_100000210202 [0,0,0,1,0,0|2,0,1]=4 2758 B9R1.12 CCOCc1ccoc1 34a_100011215357_100000210202 [0,0,0,1,0,0|3,0,0]=4 2759 B9R1.12 CCOCc1ccon1 34a_100121572206_100000234950 [0,0,0,1,0,0|3,0,0]=4 2760 B9R1.12 CCOCc1ccsc1 34a_100011215551_100000210202 [0,0,0,1,0,0|3,0,0]=4 2761 B9R1.12 CCOCc1ccsc1 34a_100121572206_100011261437 [0,0,0,1,0,0|3,0,0]=4 2762 B9R1.12 CCSCc1ccn[nH]1 62a_100000210202_100000728653 [0,0,0,1,0,0|3,0,0]=4 2763 B9R1.12 CCSCc1ccn[nH]1 62a_100000728653_100000210202 [0,0,0,1,0,0|3,0,0]=4 2764 B9R1.12 CCSCc1ccon1 62a_100000210202_100000234950 [0,0,0,1,0,0|3,0,0]=4 2765 B9R1.12 CCSCc1ccon1 62a_100000234950_100000210202 [0,0,0,1,0,0|3,0,0]=4 2766 B9R1.12 CCSCc1ccsc1 62a_100000210202_100011233845 [0,0,0,1,0,0|3,0,0]=4 2767 B9R1.12 CCSCc1ccsc1 62a_100011261437_100000210202 [0,0,0,1,0,0|3,0,0]=4 2768 B9R1.12 CNCCc1ccco1 2230a_100000694680_200000210301 [0,0,0,1,0,0|1,0,2]=4 2769 B9R1.12 CNCCc1ccco1 34a_100000694680_200000210301 [0,0,0,1,0,0|1,0,2]=4 2770 B9R1.12 CNCCc1cccs1 2230a_100000203755_200000210301 [0,0,0,1,0,0|1,1,1]=4 2771 B9R1.12 CNCCc1cccs1 2230a_106832991635_100000748579 [0,0,0,1,0,0|1,1,1]=4 2772 B9R1.12 CNCCc1cccs1 34a_100000203755_200000210301 [0,0,0,1,0,0|1,1,1]=4 2773 B9R1.12 CNCCc1cccs1 34a_100102657272_100000748579 [0,0,0,1,0,0|1,1,1]=4 2774 B9R1.12 CNCCc1cccs1 7a_106832991635_100000748579 [0,0,0,1,0,0|1,1,1]=4 2775 B9R1.12 CNCCc1ccsc1 2230a_100000692642_200000210301 [0,0,0,1,0,0|3,0,0]=4 2776 B9R1.12 CNCCc1ccsc1 34a_100000692642_200000210301 [0,0,0,1,0,0|3,0,0]=4 2777 B9R1.12 COCCc1cccs1 34a_100011216825_200000210301 [0,0,0,1,0,0|1,1,1]=4 2778 B9R1.12 COCCc1cccs1 34a_100138415774_100000748579 [0,0,0,1,0,0|1,1,1]=4 2779 B9R1.12 COCCc1cccs1 7a_100011216825_200000210301 [0,0,0,1,0,0|1,1,1]=4 2780 B9R1.12 COCCc1ccsc1 34a_100000748821_200000210301 [0,0,0,1,0,0|3,0,0]=4 2781 B9R1.12 CSCCc1cccs1 62a_100000748579_200000210301 [0,0,0,1,0,0|1,1,1]=4 2782 B9R1.12 CSCCc1cccs1 62a_200000210301_100000748579 [0,0,0,1,0,0|1,1,1]=4 2783 B9R1.12 [13CH3]NCCc1ccco1 2230a_100000694680_200025704644 [0,0,0,1,0,0|1,0,2]=4 2784 B9R1.12 [13CH3]NCCc1ccco1 34a_100000694680_200025704644 [0,0,0,1,0,0|1,0,2]=4 2785 B9R1.12 [13CH3]NCCc1cccs1 2230a_100000203755_200025704644 [0,0,0,1,0,0|1,1,1]=4 2786 B9R1.12 [13CH3]NCCc1cccs1 34a_100000203755_200025704644 [0,0,0,1,0,0|1,1,1]=4 2787 B9R1.12 [13CH3]NCCc1ccsc1 2230a_100000692642_200025704644 [0,0,0,1,0,0|3,0,0]=4 2788 B9R1.12 [13CH3]NCCc1ccsc1 34a_100000692642_200025704644 [0,0,0,1,0,0|3,0,0]=4 2789 B9R1.12 [13CH3]OCCc1cccs1 34a_100011216825_200025704644 [0,0,0,1,0,0|1,1,1]=4 2790 B9R1.12 [13CH3]OCCc1cccs1 7a_100011216825_200025704644 [0,0,0,1,0,0|1,1,1]=4 2791 B9R1.12 [13CH3]OCCc1ccsc1 34a_100000748821_200025704644 [0,0,0,1,0,0|3,0,0]=4 2792 B9R1.12 [13CH3]SCCc1cccs1 62a_100000748579_200025704644 [0,0,0,1,0,0|1,1,1]=4 2793 B9R1.12 [13CH3]SCCc1cccs1 62a_200025704644_100000748579 [0,0,0,1,0,0|1,1,1]=4 2794 B9R1.15 CNC1CCCCC1=O 34a_100102657272_100000754470 [0,0,0,1,0,0|1,0,1]=3 2795 B9R1.15 CNC1CCCCC1=O 7a_106832991635_100000204591 [0,0,0,1,0,0|1,0,1]=3 2796 B9R1.15 CNC1CCCNC1=O 2230a_100000747585_200000210301 [0,0,0,1,0,0|2,0,1]=4 2797 B9R1.15 CNC1CCCNC1=O 2230a_106832991635_100000687798 [0,0,0,1,0,0|2,0,1]=4 2798 B9R1.15 CNC1CCCNC1=O 34a_100000747585_200000210301 [0,0,0,1,0,0|2,0,1]=4 2799 B9R1.15 CNC1CCCNC1=O 34a_100102657272_100000687798 [0,0,0,1,0,0|2,0,1]=4 2800 B9R1.15 CNC1CCCNC1=O 7a_106832991635_100000687798 [0,0,0,1,0,0|2,0,1]=4 2801 B9R1.15 CNC1COCCC1=O 34a_100102657272_100012180262 [0,0,0,1,0,0|2,0,1]=4 2802 B9R1.15 CNC1COCCC1=O 7a_106832991635_100012180262 [0,0,0,1,0,0|2,0,1]=4 2803 B9R1.15 COC1CCCCC1=O 34a_100011214950_200000210301 [0,0,0,1,0,0|1,0,1]=3 2804 B9R1.15 COC1CCCCC1=O 34a_100138415774_100000754470 [0,0,0,1,0,0|1,0,1]=3 2805 B9R1.15 COC1CCCNC1=O 34a_100000073722_200000210301 [0,0,0,1,0,0|2,0,1]=4 2806 B9R1.15 COC1CCCNC1=O 34a_100138415774_100000687798 [0,0,0,1,0,0|2,0,1]=4 2807 B9R1.15 COC1COCCC1=O 34a_100138415774_100012180262 [0,0,0,1,0,0|2,0,1]=4 2808 B9R1.15 CSC1CCCCC1=O 62a_100000204591_200000210301 [0,0,0,1,0,0|1,0,1]=3 2809 B9R1.15 CSC1CCCCC1=O 62a_200000210301_100000204591 [0,0,0,1,0,0|1,0,1]=3 2810 B9R1.15 CSC1CCCNC1=O 62a_100000687798_200000210301 [0,0,0,1,0,0|2,0,1]=4 2811 B9R1.15 CSC1CCCNC1=O 62a_200000210301_100000687798 [0,0,0,1,0,0|2,0,1]=4 2812 B9R1.15 CSC1COCCC1=O 62a_100012180262_200000210301 [0,0,0,1,0,0|2,0,1]=4 2813 B9R1.15 CSC1COCCC1=O 62a_200000210301_100012180262 [0,0,0,1,0,0|2,0,1]=4 2814 B9R1.15 [13CH3]NC1CCCNC1=O 2230a_100000747585_200025704644 [0,0,0,1,0,0|2,0,1]=4 2815 B9R1.15 [13CH3]NC1CCCNC1=O 34a_100000747585_200025704644 [0,0,0,1,0,0|2,0,1]=4 2816 B9R1.15 [13CH3]OC1CCCCC1=O 34a_100011214950_200025704644 [0,0,0,1,0,0|1,0,1]=3 2817 B9R1.15 [13CH3]OC1CCCNC1=O 34a_100000073722_200025704644 [0,0,0,1,0,0|2,0,1]=4 2818 B9R1.15 [13CH3]SC1CCCCC1=O 62a_100000204591_200025704644 [0,0,0,1,0,0|1,0,1]=3 2819 B9R1.15 [13CH3]SC1CCCCC1=O 62a_200025704644_100000204591 [0,0,0,1,0,0|1,0,1]=3 2820 B9R1.15 [13CH3]SC1CCCNC1=O 62a_100000687798_200025704644 [0,0,0,1,0,0|2,0,1]=4 2821 B9R1.15 [13CH3]SC1CCCNC1=O 62a_200025704644_100000687798 [0,0,0,1,0,0|2,0,1]=4 2822 B9R1.15 [13CH3]SC1COCCC1=O 62a_100012180262_200025704644 [0,0,0,1,0,0|2,0,1]=4 2823 B9R1.15 [13CH3]SC1COCCC1=O 62a_200025704644_100012180262 [0,0,0,1,0,0|2,0,1]=4 2824 B9R1.22 CCn1nc(cc1C)O 271570a_203496583355_100010781242 [0,0,0,1,0,0|2,0,1]=4 2825 B9R1.22 CNC1CC(=O)NC1=O 2230a_100102712934_200000210301 [0,0,0,1,0,0|3,0,0]=4 2826 B9R1.22 [13CH3]NC1CC(=O)NC1=O 2230a_100102712934_200025704644 [0,0,0,1,0,0|3,0,0]=4 2827 B9R1.33 CCNC1CCCC1=O 2230a_100015525214_100000211823 [0,0,0,1,0,0|1,0,2]=4 2828 B9R1.33 CCNC1CCNC1=O 2230a_100016995588_100000210202 [0,0,0,1,0,0|2,0,1]=4 2829 B9R1.33 CCNC1CCNC1=O 34a_100016995588_100000210202 [0,0,0,1,0,0|2,0,1]=4 2830 B9R1.33 CCNC1CCOC1=O 2230a_100015525214_100000211211 [0,0,0,1,0,0|2,0,1]=4 2831 B9R1.33 CCN[C@@H]1CONC1=O 2230a_100000765999_100000210202 [0,0,0,1,0,0|3,0,0]=4 2832 B9R1.33 CCN[C@@H]1CONC1=O 34a_100000765999_100000210202 [0,0,0,1,0,0|3,0,0]=4 2833 B9R1.33 CCOC1CCCC1=O 34a_100121572206_100000709159 [0,0,0,1,0,0|1,0,2]=4 2834 B9R1.33 CCOC1CCCC1=O 34a_200000719330_100000210202 [0,0,0,1,0,0|1,0,2]=4 2835 B9R1.33 CCOC1CCOC1=O 34a_100121572206_100000211211 [0,0,0,1,0,0|2,0,1]=4 2836 B9R1.33 CCO[C@H]1CCNC1=O 34a_100000688343_100000210202 [0,0,0,1,0,0|2,0,1]=4 2837 B9R1.33 CCSC1CCCC1=O 62a_100000210202_100000211823 [0,0,0,1,0,0|1,0,2]=4 2838 B9R1.33 CCSC1CCCC1=O 62a_100000211823_100000210202 [0,0,0,1,0,0|1,0,2]=4 2839 B9R1.33 CCSC1CCOC1=O 62a_100000210202_100000211211 [0,0,0,1,0,0|2,0,1]=4 2840 B9R1.33 CCSC1CCOC1=O 62a_100000211211_100000210202 [0,0,0,1,0,0|2,0,1]=4 2841 B9R1.33 COCC1CCNC1=O 34a_100000133458_200000210301 [0,0,0,1,0,0|2,0,1]=4 2842 B9R1.33 [13CH3]OCC1CCNC1=O 34a_100000133458_200025704644 [0,0,0,1,0,0|2,0,1]=4 2843 B9R1.48 CN1CCCNC(=O)C1 2230a_100015190381_200000210301 [0,0,0,1,0,0|2,0,1]=4 2844 B9R1.48 [13CH3]N1CCCNC(=O)C1 2230a_100015190381_200025704644 [0,0,0,1,0,0|2,0,1]=4 2845 B9R1.49 CN1CCNC(=O)CC1 2230a_100000698595_200000210301 [0,0,0,1,0,0|2,0,1]=4 2846 B9R1.49 CN1CCNC(=O)CC1 269982a_100000698595_200000210301 [0,0,0,1,0,0|2,0,1]=4 2847 B9R1.49 [13CH3]N1CCNC(=O)CC1 2230a_100000698595_200025704644 [0,0,0,1,0,0|2,0,1]=4 2848 B9R1.49 [13CH3]N1CCNC(=O)CC1 269982a_100000698595_200025704644 [0,0,0,1,0,0|2,0,1]=4 2849 B9R1.73 C#CCC(=O)C1CCC1 1458a_100000209988_100000184674 [0,0,0,1,0,0|0,0,3]=4 2850 B9R1.73 C#CCC(=O)C1CCC1 1458a_100011220946_100000749161 [0,0,0,1,0,0|0,0,3]=4 2851 B9R1.73 C=CCC(=O)C1CCC1 1458a_100000209988_100000210623 [0,0,0,1,0,0|0,0,2]=3 2852 B9R1.73 C=CCC(=O)C1CCC1 1458a_100000210193_100000749161 [0,0,0,1,0,0|0,0,2]=3 2853 B9R1.73 C=CCC(=O)C1CCO1 1458a_100000089072_100000210623 [0,0,0,1,0,0|1,0,2]=4 2854 B9R1.73 C=CCC(=O)C1COC1 1458a_100000210193_100000687716 [0,0,0,1,0,0|1,0,2]=4 2855 B9R1.73 C=CCC(=O)C1COC1 1458a_100000758290_100000210623 [0,0,0,1,0,0|1,0,2]=4 2856 B9R1.73 C=CCC(=O)N1CCC1 11a_100000754969_100000210193 [0,0,0,1,0,0|1,0,2]=4 2857 B9R1.73 C=CCC(=O)N1CCC1 240690a_100000754969_100000210193 [0,0,0,1,0,0|1,0,2]=4 2858 B9R1.73 C=CCC(=O)N1CCC1 527a_100000754969_100000210193 [0,0,0,1,0,0|1,0,2]=4 2859 B9R1.73 CC#CC(=O)C1CCC1 1458a_100000763181_100000749161 [0,0,0,1,0,0|0,0,2]=3 2860 B9R1.73 CC#CC(=O)C1COC1 1458a_100000763181_100000687716 [0,0,0,1,0,0|1,0,2]=4 2861 B9R1.73 CC=CC(=O)C1CCC1 1458a_100000210699_100000749161 [0,0,0,1,0,0|0,0,0]=1 2862 B9R1.73 CC=CC(=O)C1COC1 1458a_100000210699_100000687716 [0,0,0,1,0,0|1,0,0]=2 2863 B9R1.73 CC=CC(=O)N1CCC1 11a_100000754969_100000210699 [0,0,0,1,0,0|1,0,0]=2 2864 B9R1.73 CC=CC(=O)N1CCC1 240690a_100000754969_100000210699 [0,0,0,1,0,0|1,0,0]=2 2865 B9R1.73 CCCC(=O)C1CCC1 1458a_100000209988_100000210303 [0,0,0,1,0,0|0,0,2]=3 2866 B9R1.73 CCCC(=O)C1CCC1 1458a_100000211992_100000749161 [0,0,0,1,0,0|0,0,2]=3 2867 B9R1.73 CCCC(=O)C1CCO1 1458a_100000089072_100000210303 [0,0,0,1,0,0|1,0,2]=4 2868 B9R1.73 CCCC(=O)C1COC1 1458a_100000211992_100000687716 [0,0,0,1,0,0|1,0,2]=4 2869 B9R1.73 CCCC(=O)C1COC1 1458a_100000758290_100000210303 [0,0,0,1,0,0|1,0,2]=4 2870 B9R1.73 CCCC(=O)N1CCC1 11a_100000754969_100000211992 [0,0,0,1,0,0|1,0,2]=4 2871 B9R1.73 CCCC(=O)N1CCC1 240690a_100000754969_100000211992 [0,0,0,1,0,0|1,0,2]=4 2872 B9R1.73 CCCC(=O)N1CCC1 527a_100000754969_100000211992 [0,0,0,1,0,0|1,0,2]=4 2873 B9R1.73 CCNC(=O)C1CCC1 11a_100015525214_100000209988 [0,0,0,1,0,0|1,0,1]=3 2874 B9R1.73 CCNC(=O)C1CCC1 240690a_100015525214_100000209988 [0,0,0,1,0,0|1,0,1]=3 2875 B9R1.73 CCNC(=O)C1CCC1 527a_100015525214_100000209988 [0,0,0,1,0,0|1,0,1]=3 2876 B9R1.73 CCNC(=O)C1CCO1 11a_100015525214_100000089072 [0,0,0,1,0,0|2,0,1]=4 2877 B9R1.73 CCNC(=O)C1CCO1 240690a_100015525214_100000089072 [0,0,0,1,0,0|2,0,1]=4 2878 B9R1.73 CCNC(=O)C1CCO1 527a_100015525214_100000089072 [0,0,0,1,0,0|2,0,1]=4 2879 B9R1.73 CCNC(=O)C1COC1 11a_100015525214_100000758290 [0,0,0,1,0,0|2,0,1]=4 2880 B9R1.73 CCNC(=O)C1COC1 240690a_100015525214_100000758290 [0,0,0,1,0,0|2,0,1]=4 2881 B9R1.73 CCNC(=O)C1COC1 527a_100015525214_100000758290 [0,0,0,1,0,0|2,0,1]=4 2882 B9R1.73 CCNC(=O)N1CCC1 2708a_100015525214_100000754969 [0,0,0,1,0,0|2,0,1]=4 2883 B9R1.73 CCNC(=O)N1CCC1 273464a_100015525214_100000754969 [0,0,0,1,0,0|2,0,1]=4 2884 B9R1.73 CNCC(=O)C1CCC1 2230a_106832991635_100000686122 [0,0,0,1,0,0|1,0,1]=3 2885 B9R1.73 CNCC(=O)C1CCC1 34a_100102657272_100000686122 [0,0,0,1,0,0|1,0,1]=3 2886 B9R1.73 CNCC(=O)C1CCC1 7a_106832991635_100000686122 [0,0,0,1,0,0|1,0,1]=3 2887 B9R1.73 CNCC(=O)N1CCC1 2230a_106832991635_100000185095 [0,0,0,1,0,0|2,0,1]=4 2888 B9R1.73 CNCC(=O)N1CCC1 34a_100102657272_100000185095 [0,0,0,1,0,0|2,0,1]=4 2889 B9R1.73 CNCC(=O)N1CCC1 7a_106832991635_100000185095 [0,0,0,1,0,0|2,0,1]=4 2890 B9R1.73 CNNC(=O)C1CCC1 22a_100016993582_100000209988 [0,0,0,1,0,0|2,0,0]=3 2891 B9R1.73 CNNC(=O)C1CCO1 22a_100016993582_100000089072 [0,0,0,1,0,0|3,0,0]=4 2892 B9R1.73 CNNC(=O)C1COC1 22a_100016993582_100000758290 [0,0,0,1,0,0|3,0,0]=4 2893 B9R1.73 COCC(=O)C1CCC1 1458a_100000210968_100000749161 [0,0,0,1,0,0|1,0,1]=3 2894 B9R1.73 COCC(=O)C1CCC1 34a_100138415774_100000686122 [0,0,0,1,0,0|1,0,1]=3 2895 B9R1.73 COCC(=O)C1COC1 1458a_100000210968_100000687716 [0,0,0,1,0,0|2,0,1]=4 2896 B9R1.73 COCC(=O)N1CCC1 11a_100000754969_100000210968 [0,0,0,1,0,0|2,0,1]=4 2897 B9R1.73 COCC(=O)N1CCC1 240690a_100000754969_100000210968 [0,0,0,1,0,0|2,0,1]=4 2898 B9R1.73 COCC(=O)N1CCC1 34a_100138415774_100000185095 [0,0,0,1,0,0|2,0,1]=4 2899 B9R1.73 COCC(=O)N1CCC1 527a_100000754969_100000210968 [0,0,0,1,0,0|2,0,1]=4 2900 B9R1.73 CSCC(=O)C1CCC1 1458a_100000184570_100000749161 [0,0,0,1,0,0|1,0,1]=3 2901 B9R1.73 CSCC(=O)C1CCC1 62a_100000686122_200000210301 [0,0,0,1,0,0|1,0,1]=3 2902 B9R1.73 CSCC(=O)C1CCC1 62a_200000210301_100000686122 [0,0,0,1,0,0|1,0,1]=3 2903 B9R1.73 CSCC(=O)C1COC1 1458a_100000184570_100000687716 [0,0,0,1,0,0|2,0,1]=4 2904 B9R1.73 CSCC(=O)N1CCC1 11a_100000754969_100000184570 [0,0,0,1,0,0|2,0,1]=4 2905 B9R1.73 CSCC(=O)N1CCC1 240690a_100000754969_100000184570 [0,0,0,1,0,0|2,0,1]=4 2906 B9R1.73 CSCC(=O)N1CCC1 527a_100000754969_100000184570 [0,0,0,1,0,0|2,0,1]=4 2907 B9R1.73 CSCC(=O)N1CCC1 62a_100000185095_200000210301 [0,0,0,1,0,0|2,0,1]=4 2908 B9R1.73 CSCC(=O)N1CCC1 62a_200000210301_100000185095 [0,0,0,1,0,0|2,0,1]=4 2909 B9R1.73 N#CCC(=O)C1CCC1 1458a_100000209988_100011214920 [0,0,0,1,0,0|1,0,2]=4 2910 B9R1.73 N#CCC(=O)C1CCC1 1458a_100051588842_100000749161 [0,0,0,1,0,0|1,0,2]=4 2911 B9R1.73 O=C(C=CBr)C1CCC1 1458a_100016273825_100000749161 [0,0,0,1,0,0|1,0,0]=2 2912 B9R1.73 O=C(C=CBr)C1COC1 1458a_100016273825_100000687716 [0,0,0,1,0,0|2,0,0]=3 2913 B9R1.73 O=C(C=CBr)N1CCC1 240690a_100000754969_100016273825 [0,0,0,1,0,0|2,0,0]=3 2914 B9R1.73 O=C(C=CCl)C1CCC1 1458a_200016279998_100000749161 [0,0,0,1,0,0|1,0,0]=2 2915 B9R1.73 O=C(C=CCl)C1COC1 1458a_200016279998_100000687716 [0,0,0,1,0,0|2,0,0]=3 2916 B9R1.73 O=C(C=CCl)N1CCC1 11a_100000754969_200016279998 [0,0,0,1,0,0|2,0,0]=3 2917 B9R1.73 O=C(C=CCl)N1CCC1 240690a_100000754969_200016279998 [0,0,0,1,0,0|2,0,0]=3 2918 B9R1.73 O=C(C=CI)C1CCC1 1458a_100016256311_100000749161 [0,0,0,1,0,0|1,0,0]=2 2919 B9R1.73 O=C(C=CI)C1COC1 1458a_100016256311_100000687716 [0,0,0,1,0,0|2,0,0]=3 2920 B9R1.73 O=C(CCF)C1CCC1 1458a_100000209988_100011217306 [0,0,0,1,0,0|1,0,2]=4 2921 B9R1.73 O=C(CCO)C1CCC1 1458a_100000209988_100000211926 [0,0,0,1,0,0|1,0,2]=4 2922 B9R1.73 O=C(CCO)C1CCC1 1458a_100011216618_100000749161 [0,0,0,1,0,0|1,0,2]=4 2923 B9R1.73 [13CH3]SCC(=O)C1CCC1 62a_100000686122_200025704644 [0,0,0,1,0,0|1,0,1]=3 2924 B9R1.73 [13CH3]SCC(=O)C1CCC1 62a_200025704644_100000686122 [0,0,0,1,0,0|1,0,1]=3 2925 B9R1.73 [13CH3]SCC(=O)N1CCC1 62a_100000185095_200025704644 [0,0,0,1,0,0|2,0,1]=4 2926 B9R1.73 [13CH3]SCC(=O)N1CCC1 62a_200025704644_100000185095 [0,0,0,1,0,0|2,0,1]=4 2927 B9R1.75 C#CCC(=O)CC1CC1 1458a_100000738066_100000184674 [0,0,0,1,0,0|0,0,3]=4 2928 B9R1.75 C#CCC(=O)CC1CC1 1458a_100011220946_100000742324 [0,0,0,1,0,0|0,0,3]=4 2929 B9R1.75 C/C=C/C(C)OC1CC1 34a_200102604097_100000211595 [0,0,0,1,0,0|2,0,1]=4 2930 B9R1.75 C=CCC(=O)CC1CC1 1458a_100000210193_100000742324 [0,0,0,1,0,0|0,0,2]=3 2931 B9R1.75 C=CCC(=O)CC1CC1 1458a_100000738066_100000210623 [0,0,0,1,0,0|0,0,2]=3 2932 B9R1.75 C=CCC(=O)CC1CO1 1458a_100000210193_100011216344 [0,0,0,1,0,0|1,0,2]=4 2933 B9R1.75 C=CCC(=O)CC1CS1 1458a_100000210193_100000031435 [0,0,0,1,0,0|1,0,2]=4 2934 B9R1.75 C=CCC(=O)C[C@@H]1CO1 1458a_100000210193_100000745022 [0,0,0,1,0,0|1,0,2]=4 2935 B9R1.75 C=CCC(=O)NC1CC1 1626a_100000212008_100000210193 [0,0,0,1,0,0|1,0,2]=4 2936 B9R1.75 C=CCC(=O)NC1CC1 240690a_100000212008_100000210193 [0,0,0,1,0,0|1,0,2]=4 2937 B9R1.75 C=CCC(=O)NC1CC1 527a_100000212008_100000210193 [0,0,0,1,0,0|1,0,2]=4 2938 B9R1.75 CC#CC(=O)CC1CC1 1458a_100000763181_100000742324 [0,0,0,1,0,0|0,0,2]=3 2939 B9R1.75 CC#CC(=O)CC1CO1 1458a_100000763181_100011216344 [0,0,0,1,0,0|1,0,2]=4 2940 B9R1.75 CC#CC(=O)CC1CS1 1458a_100000763181_100000031435 [0,0,0,1,0,0|1,0,2]=4 2941 B9R1.75 CC#CC(=O)C[C@@H]1CO1 1458a_100000763181_100000745022 [0,0,0,1,0,0|1,0,2]=4 2942 B9R1.75 CC=CC(=O)CC1CC1 1458a_100000210699_100000742324 [0,0,0,1,0,0|0,0,0]=1 2943 B9R1.75 CC=CC(=O)CC1CO1 1458a_100000210699_100011216344 [0,0,0,1,0,0|1,0,0]=2 2944 B9R1.75 CC=CC(=O)CC1CS1 1458a_100000210699_100000031435 [0,0,0,1,0,0|1,0,0]=2 2945 B9R1.75 CC=CC(=O)C[C@@H]1CO1 1458a_100000210699_100000745022 [0,0,0,1,0,0|1,0,0]=2 2946 B9R1.75 CC=CC(=O)NC1CC1 1626a_100000212008_100000210699 [0,0,0,1,0,0|1,0,0]=2 2947 B9R1.75 CC=CC(=O)NC1CC1 240690a_100000212008_100000210699 [0,0,0,1,0,0|1,0,0]=2 2948 B9R1.75 CCCC(=O)CC1CC1 1458a_100000211992_100000742324 [0,0,0,1,0,0|0,0,2]=3 2949 B9R1.75 CCCC(=O)CC1CC1 1458a_100000738066_100000210303 [0,0,0,1,0,0|0,0,2]=3 2950 B9R1.75 CCCC(=O)CC1CO1 1458a_100000211992_100011216344 [0,0,0,1,0,0|1,0,2]=4 2951 B9R1.75 CCCC(=O)CC1CS1 1458a_100000211992_100000031435 [0,0,0,1,0,0|1,0,2]=4 2952 B9R1.75 CCCC(=O)C[C@@H]1CO1 1458a_100000211992_100000745022 [0,0,0,1,0,0|1,0,2]=4 2953 B9R1.75 CCCC(=O)NC1CC1 1626a_100000212008_100000211992 [0,0,0,1,0,0|1,0,2]=4 2954 B9R1.75 CCCC(=O)NC1CC1 240690a_100000212008_100000211992 [0,0,0,1,0,0|1,0,2]=4 2955 B9R1.75 CCCC(=O)NC1CC1 527a_100000212008_100000211992 [0,0,0,1,0,0|1,0,2]=4 2956 B9R1.75 CCNC(=O)CC1CC1 11a_100015525214_100000738066 [0,0,0,1,0,0|1,0,1]=3 2957 B9R1.75 CCNC(=O)CC1CC1 240690a_100015525214_100000738066 [0,0,0,1,0,0|1,0,1]=3 2958 B9R1.75 CCNC(=O)CC1CC1 527a_100015525214_100000738066 [0,0,0,1,0,0|1,0,1]=3 2959 B9R1.75 CCNC(=O)NC1CC1 2708a_100000212008_100015525214 [0,0,0,1,0,0|2,0,1]=4 2960 B9R1.75 CCNC(=O)NC1CC1 2708a_100015525214_100000212008 [0,0,0,1,0,0|2,0,1]=4 2961 B9R1.75 CCNC(=O)NC1CC1 273464a_100000212008_100015525214 [0,0,0,1,0,0|2,0,1]=4 2962 B9R1.75 CCNC(=O)NC1CC1 273464a_100015525214_100000212008 [0,0,0,1,0,0|2,0,1]=4 2963 B9R1.75 CCNC(=O)NC1CC1 512a_100000212008_100015525214 [0,0,0,1,0,0|2,0,1]=4 2964 B9R1.75 CNCC(=O)NC1CC1 2230a_100000702991_200000210301 [0,0,0,1,0,0|2,0,1]=4 2965 B9R1.75 CNCC(=O)NC1CC1 2230a_106832991635_100000182950 [0,0,0,1,0,0|2,0,1]=4 2966 B9R1.75 CNCC(=O)NC1CC1 34a_100102657272_100000182950 [0,0,0,1,0,0|2,0,1]=4 2967 B9R1.75 CNCC(=O)NC1CC1 7a_106832991635_100000182950 [0,0,0,1,0,0|2,0,1]=4 2968 B9R1.75 CNNC(=O)CC1CC1 22a_100016993582_100000738066 [0,0,0,1,0,0|2,0,0]=3 2969 B9R1.75 CNNC(=O)NC1CC1 273464a_100000212008_100016993582 [0,0,0,1,0,0|3,0,0]=4 2970 B9R1.75 CNNC(=O)NC1CC1 512a_100000212008_100016993582 [0,0,0,1,0,0|3,0,0]=4 2971 B9R1.75 COCC(=O)CC1CC1 1458a_100000210968_100000742324 [0,0,0,1,0,0|1,0,1]=3 2972 B9R1.75 COCC(=O)CC1CO1 1458a_100000210968_100011216344 [0,0,0,1,0,0|2,0,1]=4 2973 B9R1.75 COCC(=O)CC1CS1 1458a_100000210968_100000031435 [0,0,0,1,0,0|2,0,1]=4 2974 B9R1.75 COCC(=O)C[C@@H]1CO1 1458a_100000210968_100000745022 [0,0,0,1,0,0|2,0,1]=4 2975 B9R1.75 COCC(=O)NC1CC1 1626a_100000212008_100000210968 [0,0,0,1,0,0|2,0,1]=4 2976 B9R1.75 COCC(=O)NC1CC1 240690a_100000212008_100000210968 [0,0,0,1,0,0|2,0,1]=4 2977 B9R1.75 COCC(=O)NC1CC1 34a_100138415774_100000182950 [0,0,0,1,0,0|2,0,1]=4 2978 B9R1.75 COCC(=O)NC1CC1 527a_100000212008_100000210968 [0,0,0,1,0,0|2,0,1]=4 2979 B9R1.75 CSCC(=O)CC1CC1 1458a_100000184570_100000742324 [0,0,0,1,0,0|1,0,1]=3 2980 B9R1.75 CSCC(=O)CC1CO1 1458a_100000184570_100011216344 [0,0,0,1,0,0|2,0,1]=4 2981 B9R1.75 CSCC(=O)CC1CS1 1458a_100000184570_100000031435 [0,0,0,1,0,0|2,0,1]=4 2982 B9R1.75 CSCC(=O)C[C@@H]1CO1 1458a_100000184570_100000745022 [0,0,0,1,0,0|2,0,1]=4 2983 B9R1.75 CSCC(=O)NC1CC1 1626a_100000212008_100000184570 [0,0,0,1,0,0|2,0,1]=4 2984 B9R1.75 CSCC(=O)NC1CC1 240690a_100000212008_100000184570 [0,0,0,1,0,0|2,0,1]=4 2985 B9R1.75 CSCC(=O)NC1CC1 527a_100000212008_100000184570 [0,0,0,1,0,0|2,0,1]=4 2986 B9R1.75 CSCC(=O)NC1CC1 62a_100000182950_200000210301 [0,0,0,1,0,0|2,0,1]=4 2987 B9R1.75 CSCC(=O)NC1CC1 62a_200000210301_100000182950 [0,0,0,1,0,0|2,0,1]=4 2988 B9R1.75 N#CCC(=O)CC1CC1 1458a_100000738066_100011214920 [0,0,0,1,0,0|1,0,2]=4 2989 B9R1.75 N#CCC(=O)CC1CC1 1458a_100051588842_100000742324 [0,0,0,1,0,0|1,0,2]=4 2990 B9R1.75 O=C(C=CBr)CC1CC1 1458a_100016273825_100000742324 [0,0,0,1,0,0|1,0,0]=2 2991 B9R1.75 O=C(C=CBr)CC1CO1 1458a_100016273825_100011216344 [0,0,0,1,0,0|2,0,0]=3 2992 B9R1.75 O=C(C=CBr)CC1CS1 1458a_100016273825_100000031435 [0,0,0,1,0,0|2,0,0]=3 2993 B9R1.75 O=C(C=CBr)C[C@@H]1CO1 1458a_100016273825_100000745022 [0,0,0,1,0,0|2,0,0]=3 2994 B9R1.75 O=C(C=CBr)NC1CC1 1626a_100000212008_100016273825 [0,0,0,1,0,0|2,0,0]=3 2995 B9R1.75 O=C(C=CBr)NC1CC1 240690a_100000212008_100016273825 [0,0,0,1,0,0|2,0,0]=3 2996 B9R1.75 O=C(C=CCl)CC1CC1 1458a_200016279998_100000742324 [0,0,0,1,0,0|1,0,0]=2 2997 B9R1.75 O=C(C=CCl)CC1CO1 1458a_200016279998_100011216344 [0,0,0,1,0,0|2,0,0]=3 2998 B9R1.75 O=C(C=CCl)CC1CS1 1458a_200016279998_100000031435 [0,0,0,1,0,0|2,0,0]=3 2999 B9R1.75 O=C(C=CCl)C[C@@H]1CO1 1458a_200016279998_100000745022 [0,0,0,1,0,0|2,0,0]=3 3000 B9R1.75 O=C(C=CCl)NC1CC1 1626a_100000212008_200016279998 [0,0,0,1,0,0|2,0,0]=3 3001 B9R1.75 O=C(C=CCl)NC1CC1 240690a_100000212008_200016279998 [0,0,0,1,0,0|2,0,0]=3 3002 B9R1.75 O=C(C=CI)CC1CC1 1458a_100016256311_100000742324 [0,0,0,1,0,0|1,0,0]=2 3003 B9R1.75 O=C(C=CI)CC1CO1 1458a_100016256311_100011216344 [0,0,0,1,0,0|2,0,0]=3 3004 B9R1.75 O=C(C=CI)CC1CS1 1458a_100016256311_100000031435 [0,0,0,1,0,0|2,0,0]=3 3005 B9R1.75 O=C(C=CI)C[C@@H]1CO1 1458a_100016256311_100000745022 [0,0,0,1,0,0|2,0,0]=3 3006 B9R1.75 O=C(C=CI)NC1CC1 1626a_100000212008_100016256311 [0,0,0,1,0,0|2,0,0]=3 3007 B9R1.75 O=C(CCF)CC1CC1 1458a_100000738066_100011217306 [0,0,0,1,0,0|1,0,2]=4 3008 B9R1.75 O=C(CCO)CC1CC1 1458a_100000738066_100000211926 [0,0,0,1,0,0|1,0,2]=4 3009 B9R1.75 O=C(CCO)CC1CC1 1458a_100011216618_100000742324 [0,0,0,1,0,0|1,0,2]=4 3010 B9R1.75 [13CH3]NCC(=O)NC1CC1 2230a_100000702991_200025704644 [0,0,0,1,0,0|2,0,1]=4 3011 B9R1.75 [13CH3]SCC(=O)NC1CC1 62a_100000182950_200025704644 [0,0,0,1,0,0|2,0,1]=4 3012 B9R1.75 [13CH3]SCC(=O)NC1CC1 62a_200025704644_100000182950 [0,0,0,1,0,0|2,0,1]=4 3013 B9R1.100 CCCCC(=O)C1CC1 1458a_100000210395_100000210211 [0,0,0,1,0,0|0,0,2]=3 3014 B9R1.100 CCCCC(=O)C1CO1 1458a_100000701028_100000210211 [0,0,0,1,0,0|1,0,1]=3 3015 B9R1.100 CCCNC(=O)C1CC1 11a_100020643023_100000210395 [0,0,0,1,0,0|1,0,2]=4 3016 B9R1.100 CCCNC(=O)C1CC1 1626a_100020643023_100000210395 [0,0,0,1,0,0|1,0,2]=4 3017 B9R1.100 CCCNC(=O)C1CC1 240690a_100020643023_100000210395 [0,0,0,1,0,0|1,0,2]=4 3018 B9R1.100 CCCNC(=O)C1CC1 527a_100020643023_100000210395 [0,0,0,1,0,0|1,0,2]=4 3019 B9R1.100 CCCNC(=O)C1CO1 11a_100020643023_100000701028 [0,0,0,1,0,0|2,0,1]=4 3020 B9R1.100 CCCNC(=O)C1CO1 1626a_100020643023_100000701028 [0,0,0,1,0,0|2,0,1]=4 3021 B9R1.100 CCCNC(=O)C1CO1 240690a_100020643023_100000701028 [0,0,0,1,0,0|2,0,1]=4 3022 B9R1.100 CCCNC(=O)C1CO1 527a_100020643023_100000701028 [0,0,0,1,0,0|2,0,1]=4 3023 B9R1.100 CCNCC(=O)C1CC1 2230a_100015525214_100000746382 [0,0,0,1,0,0|1,0,2]=4 3024 B9R1.100 CCOCC(=O)C1CC1 34a_100000686663_100000210202 [0,0,0,1,0,0|1,0,2]=4 3025 B9R1.100 CCOCC(=O)C1CC1 34a_100121572206_100000746382 [0,0,0,1,0,0|1,0,2]=4 3026 B9R1.100 CCSCC(=O)C1CC1 62a_100000210202_100000746382 [0,0,0,1,0,0|1,0,2]=4 3027 B9R1.100 CCSCC(=O)C1CC1 62a_100000746382_100000210202 [0,0,0,1,0,0|1,0,2]=4 3028 B9R1.100 COCCC(=O)C1CC1 1458a_100000210395_100000233755 [0,0,0,1,0,0|1,0,2]=4 3029 B9R1.100 COCCC(=O)C1CO1 1458a_100000701028_100000233755 [0,0,0,1,0,0|2,0,1]=4 3030 B9R1.100 CSCCC(=O)C1CC1 1458a_100000210395_100000751147 [0,0,0,1,0,0|1,0,2]=4 3031 B9R1.100 CSCCC(=O)C1CO1 1458a_100000701028_100000751147 [0,0,0,1,0,0|2,0,1]=4 3032 B9R1.100 O=C(CCCF)C1CC1 1458a_100000210395_100011934791 [0,0,0,1,0,0|1,0,2]=4 3033 B9R1.100 O=C(CCCF)C1CO1 1458a_100000701028_100011934791 [0,0,0,1,0,0|2,0,1]=4 3034 B9R1.100 O=C(CCCO)C1CC1 1458a_100000210395_100011215043 [0,0,0,1,0,0|1,0,2]=4 3035 B9R1.100 O=C(CCCO)C1CO1 1458a_100000701028_100011215043 [0,0,0,1,0,0|2,0,1]=4 3036 B9R1.183 C#CCC(=O)C1CC1C 1458a_100000211227_100000184674 [0,0,0,1,0,0|0,0,3]=4 3037 B9R1.183 C=CCC(=O)C1CC1C 1458a_100000211227_100000210623 [0,0,0,1,0,0|0,0,2]=3 3038 B9R1.183 C=CCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210623 [0,0,0,1,0,0|1,0,2]=4 3039 B9R1.183 CC1CC1C(=O)CC#N 1458a_100000211227_100011214920 [0,0,0,1,0,0|1,0,2]=4 3040 B9R1.183 CC1CC1C(=O)CCF 1458a_100000211227_100011217306 [0,0,0,1,0,0|1,0,2]=4 3041 B9R1.183 CC1CC1C(=O)CCO 1458a_100000211227_100000211926 [0,0,0,1,0,0|1,0,2]=4 3042 B9R1.183 CCCC(=O)C1CC1C 1458a_100000211227_100000210303 [0,0,0,1,0,0|0,0,2]=3 3043 B9R1.183 CCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210303 [0,0,0,1,0,0|1,0,2]=4 3044 B9R1.183 CCNC(=O)C1CC1C 11a_100015525214_100000211227 [0,0,0,1,0,0|1,0,1]=3 3045 B9R1.183 CCNC(=O)C1CC1C 527a_100015525214_100000211227 [0,0,0,1,0,0|1,0,1]=3 3046 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 11a_100015525214_100015396687 [0,0,0,1,0,0|2,0,1]=4 3047 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 240690a_100015525214_100015396687 [0,0,0,1,0,0|2,0,1]=4 3048 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 527a_100015525214_100015396687 [0,0,0,1,0,0|2,0,1]=4 3049 B9R1.183 CNNC(=O)C1CC1C 22a_100016993582_100000211227 [0,0,0,1,0,0|2,0,0]=3 3050 B9R1.183 CNNC(=O)[C@@H]1C[C@@H]1F 22a_100016993582_100015396687 [0,0,0,1,0,0|3,0,0]=4 3051 B6R0.6 C/C=C/CCOC 34a_100016278192_200000210301 [2,0,0,0,0,0|1,0,0]=3 3052 B6R0.6 C/C=C/CCO[13CH3] 34a_100016278192_200025704644 [2,0,0,0,0,0|1,0,0]=3 3053 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [2,0,0,0,0,0|1,0,0]=3 3054 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [2,0,0,0,0,0|1,0,0]=3 3055 B6R0.6 C/C=C/COCF 34a_100016270725_100015361967 [2,0,0,0,0,0|2,0,0]=4 3056 B6R0.6 C/C=C/CSCC 62a_100000210202_100102629194 [2,0,0,0,0,0|1,0,0]=3 3057 B6R0.6 C/C=C/CSCC 62a_100102629194_100000210202 [2,0,0,0,0,0|1,0,0]=3 3058 B6R0.6 C/C=C/CSCF 62a_100015361967_100102629194 [2,0,0,0,0,0|2,0,0]=4 3059 B6R0.6 C/C=C/CSCF 62a_100102629194_100015361967 [2,0,0,0,0,0|2,0,0]=4 3060 B6R0.6 C=CCCCNC 2230a_100000700776_200000210301 [2,0,0,0,0,0|1,0,1]=4 3061 B6R0.6 C=CCCCNC 2230a_106832991635_100011713584 [2,0,0,0,0,0|1,0,1]=4 3062 B6R0.6 C=CCCCNC 34a_100000700776_200000210301 [2,0,0,0,0,0|1,0,1]=4 3063 B6R0.6 C=CCCCNC 34a_100102657272_100000757094 [2,0,0,0,0,0|1,0,1]=4 3064 B6R0.6 C=CCCCNC 7a_106832991635_100000757094 [2,0,0,0,0,0|1,0,1]=4 3065 B6R0.6 C=CCCCN[13CH3] 2230a_100000700776_200025704644 [2,0,0,0,0,0|1,0,1]=4 3066 B6R0.6 C=CCCCN[13CH3] 34a_100000700776_200025704644 [2,0,0,0,0,0|1,0,1]=4 3067 B6R0.6 C=CCCCOC 34a_100000758997_200000210301 [2,0,0,0,0,0|1,0,1]=4 3068 B6R0.6 C=CCCCOC 34a_100138415774_100000757094 [2,0,0,0,0,0|1,0,1]=4 3069 B6R0.6 C=CCCCOC 7a_100000758997_200000210301 [2,0,0,0,0,0|1,0,1]=4 3070 B6R0.6 C=CCCCO[13CH3] 34a_100000758997_200025704644 [2,0,0,0,0,0|1,0,1]=4 3071 B6R0.6 C=CCCCO[13CH3] 7a_100000758997_200025704644 [2,0,0,0,0,0|1,0,1]=4 3072 B6R0.6 C=CCCCSC 62a_100011713584_200000210301 [2,0,0,0,0,0|1,0,1]=4 3073 B6R0.6 C=CCCCSC 62a_200000210301_100000757094 [2,0,0,0,0,0|1,0,1]=4 3074 B6R0.6 C=CCCCS[13CH3] 62a_100011713584_200025704644 [2,0,0,0,0,0|1,0,1]=4 3075 B6R0.6 C=CCCCS[13CH3] 62a_200025704644_100000757094 [2,0,0,0,0,0|1,0,1]=4 3076 B6R0.6 C=CCCNCC 2230a_100015191253_100000210202 [2,0,0,0,0,0|1,0,1]=4 3077 B6R0.6 C=CCCNCC 2230a_100015525214_100000754431 [2,0,0,0,0,0|1,0,1]=4 3078 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [2,0,0,0,0,0|1,0,1]=4 3079 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [2,0,0,0,0,0|1,0,1]=4 3080 B6R0.6 C=CCCSCC 62a_100000210202_100000754431 [2,0,0,0,0,0|1,0,1]=4 3081 B6R0.6 C=CCCSCC 62a_100000754431_100000210202 [2,0,0,0,0,0|1,0,1]=4 3082 B6R0.6 C=CCNCCC 2230a_100020586998_100000210303 [2,0,0,0,0,0|1,0,1]=4 3083 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [2,0,0,0,0,0|1,0,1]=4 3084 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [2,0,0,0,0,0|1,0,1]=4 3085 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [2,0,0,0,0,0|1,0,1]=4 3086 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [2,0,0,0,0,0|1,0,1]=4 3087 B6R0.6 C=COCCNC 2230a_106832991635_100000039644 [2,0,0,0,0,0|2,0,0]=4 3088 B6R0.6 C=COCCNC 34a_100102657272_100000039644 [2,0,0,0,0,0|2,0,0]=4 3089 B6R0.6 C=COCCNC 7a_106832991635_100000039644 [2,0,0,0,0,0|2,0,0]=4 3090 B6R0.6 C=COCCOC 34a_100000033082_200000210301 [2,0,0,0,0,0|2,0,0]=4 3091 B6R0.6 C=COCCOC 34a_100138415774_100000039644 [2,0,0,0,0,0|2,0,0]=4 3092 B6R0.6 C=COCCO[13CH3] 34a_100000033082_200025704644 [2,0,0,0,0,0|2,0,0]=4 3093 B6R0.6 C=COCCSC 62a_100000039644_200000210301 [2,0,0,0,0,0|2,0,0]=4 3094 B6R0.6 C=COCCSC 62a_200000210301_100000039644 [2,0,0,0,0,0|2,0,0]=4 3095 B6R0.6 C=COCCS[13CH3] 62a_100000039644_200025704644 [2,0,0,0,0,0|2,0,0]=4 3096 B6R0.6 C=COCCS[13CH3] 62a_200025704644_100000039644 [2,0,0,0,0,0|2,0,0]=4 3097 B6R0.6 CC/C=C\CNC 2230a_106832991635_100103147603 [2,0,0,0,0,0|1,0,1]=4 3098 B6R0.6 CC/C=C\CNC 34a_100102657272_100103147603 [2,0,0,0,0,0|1,0,1]=4 3099 B6R0.6 CC/C=C\CNC 7a_106832991635_100103147603 [2,0,0,0,0,0|1,0,1]=4 3100 B6R0.6 CC/C=C\COC 34a_100016268518_200000210301 [2,0,0,0,0,0|1,0,1]=4 3101 B6R0.6 CC/C=C\COC 34a_100138415774_100103147603 [2,0,0,0,0,0|1,0,1]=4 3102 B6R0.6 CC/C=C\CO[13CH3] 34a_100016268518_200025704644 [2,0,0,0,0,0|1,0,1]=4 3103 B6R0.6 CC/C=C\CSC 62a_100103147603_200000210301 [2,0,0,0,0,0|1,0,1]=4 3104 B6R0.6 CC/C=C\CSC 62a_200000210301_100103147603 [2,0,0,0,0,0|1,0,1]=4 3105 B6R0.6 CC/C=C\CS[13CH3] 62a_100103147603_200025704644 [2,0,0,0,0,0|1,0,1]=4 3106 B6R0.6 CC/C=C\CS[13CH3] 62a_200025704644_100103147603 [2,0,0,0,0,0|1,0,1]=4 3107 B6R0.6 CC=CCNCC 2230a_100015525214_100000070051 [2,0,0,0,0,0|1,0,0]=3 3108 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [2,0,0,0,0,0|1,0,0]=3 3109 B6R0.6 CC=CCSCC 62a_100000070051_100000210202 [2,0,0,0,0,0|1,0,0]=3 3110 B6R0.6 CC=CCSCC 62a_100000210202_100000070051 [2,0,0,0,0,0|1,0,0]=3 3111 B6R0.6 CC=CCSCF 62a_100000070051_100015361967 [2,0,0,0,0,0|2,0,0]=4 3112 B6R0.6 CC=CCSCF 62a_100015361967_100000070051 [2,0,0,0,0,0|2,0,0]=4 3113 B6R0.6 CC=NNCCC 4a_100000740057_200000210099 [2,0,0,0,0,0|2,0,0]=4 3114 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [2,0,0,0,0,0|1,0,1]=4 3115 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [2,0,0,0,0,0|1,0,1]=4 3116 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [2,0,0,0,0,0|1,0,1]=4 3117 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [2,0,0,0,0,0|1,0,1]=4 3118 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [2,0,0,0,0,0|1,0,1]=4 3119 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [2,0,0,0,0,0|1,0,1]=4 3120 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [2,0,0,0,0,0|1,0,1]=4 3121 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [2,0,0,0,0,0|1,0,1]=4 3122 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [2,0,0,0,0,0|1,0,1]=4 3123 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [2,0,0,0,0,0|1,0,1]=4 3124 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [2,0,0,0,0,0|1,0,1]=4 3125 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [2,0,0,0,0,0|1,0,1]=4 3126 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [2,0,0,0,0,0|1,0,1]=4 3127 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [2,0,0,0,0,0|1,0,1]=4 3128 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [2,0,0,0,0,0|1,0,1]=4 3129 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [2,0,0,0,0,0|1,0,1]=4 3130 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [2,0,0,0,0,0|1,0,1]=4 3131 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [2,0,0,0,0,0|1,0,1]=4 3132 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [2,0,0,0,0,0|1,0,1]=4 3133 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [2,0,0,0,0,0|1,0,1]=4 3134 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [2,0,0,0,0,0|1,0,1]=4 3135 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [2,0,0,0,0,0|1,0,1]=4 3136 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [2,0,0,0,0,0|0,0,2]=4 3137 B6R0.1 C#CCC(=O)C=C 1458a_100000185746_100000184674 [2,0,0,0,0,0|0,0,2]=4 3138 B6R0.1 C=CC(=O)CC#N 1458a_100000185746_100011214920 [2,0,0,0,0,0|1,0,1]=4 3139 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [2,0,0,0,0,0|0,0,0]=2 3140 B6R0.1 C=CC(=O)CCF 1458a_100000185746_100011217306 [2,0,0,0,0,0|1,0,0]=3 3141 B6R0.1 C=CC(=O)CCO 1458a_100000185746_100000211926 [2,0,0,0,0,0|1,0,0]=3 3142 B6R0.1 C=CC(=O)NCC 240690a_100015525214_200121576911 [2,0,0,0,0,0|1,0,0]=3 3143 B6R0.1 C=CC(=O)NNC 22a_100016993582_100000185746 [2,0,0,0,0,0|2,0,0]=4 3144 B6R0.1 C=CCC(=O)C=C 1458a_100000185746_100000210623 [2,0,0,0,0,0|0,0,2]=4 3145 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [2,0,0,0,0,0|0,0,2]=4 3146 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [2,0,0,0,0,0|0,0,2]=4 3147 B6R0.1 CC#CC(=O)CC 1458a_100000763181_100000210202 [2,0,0,0,0,0|0,0,2]=4 3148 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [2,0,0,0,0,0|0,0,0]=2 3149 B6R0.1 CC=CC(=O)CF 1458a_100000210699_100015361967 [2,0,0,0,0,0|1,0,0]=3 3150 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [2,0,0,0,0,0|1,0,0]=3 3151 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [2,0,0,0,0,0|1,0,0]=3 3152 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [2,0,0,0,0,0|1,0,0]=3 3153 B6R0.1 CCC(=O)C=CBr 1458a_100016273825_100000210202 [2,0,0,0,0,0|1,0,0]=3 3154 B6R0.1 CCC(=O)C=CCl 1458a_200016279998_100000210202 [2,0,0,0,0,0|1,0,0]=3 3155 B6R0.1 CCC(=O)C=CI 1458a_100016256311_100000210202 [2,0,0,0,0,0|1,0,0]=3 3156 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [2,0,0,0,0,0|1,0,1]=4 3157 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [2,0,0,0,0,0|1,0,1]=4 3158 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [2,0,0,0,0,0|1,0,1]=4 3159 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [2,0,0,0,0,0|1,0,1]=4 3160 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [2,0,0,0,0,0|1,0,1]=4 3161 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [2,0,0,0,0,0|1,0,1]=4 3162 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [2,0,0,0,0,0|1,0,1]=4 3163 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [2,0,0,0,0,0|1,0,1]=4 3164 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [2,0,0,0,0,0|1,0,1]=4 3165 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [2,0,0,0,0,0|1,0,1]=4 3166 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [2,0,0,0,0,0|1,0,1]=4 3167 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [2,0,0,0,0,0|1,0,1]=4 3168 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [2,0,0,0,0,0|2,0,0]=4 3169 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [2,0,0,0,0,0|0,0,1]=3 3170 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [2,0,0,0,0,0|0,0,1]=3 3171 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [2,0,0,0,0,0|1,0,1]=4 3172 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [2,0,0,0,0,0|1,0,1]=4 3173 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [2,0,0,0,0,0|1,0,0]=3 3174 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [2,0,0,0,0,0|1,0,0]=3 3175 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [2,0,0,0,0,0|1,0,0]=3 3176 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [2,0,0,0,0,0|1,0,0]=3 3177 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [2,0,0,0,0,0|1,0,1]=4 3178 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [2,0,0,0,0,0|1,0,1]=4 3179 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [2,0,0,0,0,0|1,0,1]=4 3180 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [2,0,0,0,0,0|2,0,0]=4 3181 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [2,0,0,0,0,0|2,0,0]=4 3182 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [2,0,0,0,0,0|2,0,0]=4 3183 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [2,0,0,0,0,0|2,0,0]=4 3184 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [2,0,0,0,0,0|2,0,0]=4 3185 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [2,0,0,0,0,0|2,0,0]=4 3186 B6R0.1 CNC(=O)C=CBr 1626a_100102657272_100016273825 [2,0,0,0,0,0|2,0,0]=4 3187 B6R0.1 CNC(=O)C=CBr 240690a_100102657272_100016273825 [2,0,0,0,0,0|2,0,0]=4 3188 B6R0.1 CNC(=O)C=CCl 11a_106832991635_200016279998 [2,0,0,0,0,0|2,0,0]=4 3189 B6R0.1 CNC(=O)C=CCl 1626a_100102657272_200016279998 [2,0,0,0,0,0|2,0,0]=4 3190 B6R0.1 CNC(=O)C=CCl 240690a_100102657272_200016279998 [2,0,0,0,0,0|2,0,0]=4 3191 B6R0.1 CNC(=O)C=CI 1626a_100102657272_100016256311 [2,0,0,0,0,0|2,0,0]=4 3192 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [2,0,0,0,0,0|2,0,0]=4 3193 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [2,0,0,0,0,0|2,0,0]=4 3194 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [2,0,0,0,0,0|2,0,0]=4 3195 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [2,0,0,0,0,0|2,0,0]=4 3196 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [2,0,0,0,0,0|2,0,0]=4 3197 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [2,0,0,0,0,0|2,0,0]=4 3198 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [2,0,0,0,0,0|2,0,0]=4 3199 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [2,0,0,0,0,0|2,0,0]=4 3200 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [2,0,0,0,0,0|2,0,0]=4 3201 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [2,0,0,0,0,0|2,0,0]=4 3202 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [2,0,0,0,0,0|2,0,0]=4 3203 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [2,0,0,0,0,0|2,0,0]=4 3204 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [2,0,0,0,0,0|2,0,0]=4 3205 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [2,0,0,0,0,0|2,0,0]=4 3206 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [2,0,0,0,0,0|2,0,0]=4 3207 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [2,0,0,0,0,0|2,0,0]=4 3208 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [2,0,0,0,0,0|2,0,0]=4 3209 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [2,0,0,0,0,0|2,0,0]=4 3210 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [2,0,0,0,0,0|2,0,0]=4 3211 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [2,0,0,0,0,0|2,0,0]=4 3212 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [2,0,0,0,0,0|2,0,0]=4 3213 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [2,0,0,0,0,0|2,0,0]=4 3214 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [2,0,0,0,0,0|2,0,0]=4 3215 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [2,0,0,0,0,0|2,0,0]=4 3216 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [2,0,0,0,0,0|2,0,0]=4 3217 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [2,0,0,0,0,0|2,0,0]=4 3218 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [2,0,0,0,0,0|2,0,0]=4 3219 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [2,0,0,0,0,0|2,0,0]=4 3220 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [2,0,0,0,0,0|2,0,0]=4 3221 B6R0.1 O=C(C=CBr)CF 1458a_100016273825_100015361967 [2,0,0,0,0,0|2,0,0]=4 3222 B6R0.1 O=C(C=CCl)CF 1458a_200016279998_100015361967 [2,0,0,0,0,0|2,0,0]=4 3223 B6R0.1 O=C(C=CI)CF 1458a_100016256311_100015361967 [2,0,0,0,0,0|2,0,0]=4 3224 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [2,0,0,0,0,0|0,0,2]=4 3225 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [2,0,0,0,0,0|0,0,2]=4 3226 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [2,0,0,0,0,0|0,0,2]=4 3227 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [2,0,0,0,0,0|0,0,2]=4 3228 B6R0.4 C=C(Br)CCOC 34a_100009813270_200000210301 [2,0,0,0,0,0|2,0,0]=4 3229 B6R0.4 C=C(Br)CCO[13CH3] 34a_100009813270_200025704644 [2,0,0,0,0,0|2,0,0]=4 3230 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [2,0,0,0,0,0|2,0,0]=4 3231 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [2,0,0,0,0,0|2,0,0]=4 3232 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [2,0,0,0,0,0|2,0,0]=4 3233 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [2,0,0,0,0,0|2,0,0]=4 3234 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [2,0,0,0,0,0|2,0,0]=4 3235 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [2,0,0,0,0,0|2,0,0]=4 3236 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [2,0,0,0,0,0|2,0,0]=4 3237 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [2,0,0,0,0,0|2,0,0]=4 3238 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [2,0,0,0,0,0|2,0,0]=4 3239 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [2,0,0,0,0,0|2,0,0]=4 3240 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [2,0,0,0,0,0|2,0,0]=4 3241 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [2,0,0,0,0,0|2,0,0]=4 3242 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [2,0,0,0,0,0|2,0,0]=4 3243 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [2,0,0,0,0,0|2,0,0]=4 3244 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [2,0,0,0,0,0|2,0,0]=4 3245 B6R0.4 C=C(F)CNCC 2230a_100015525214_100009893438 [2,0,0,0,0,0|2,0,0]=4 3246 B6R0.4 C=C(F)COCC 34a_100121572206_100009893438 [2,0,0,0,0,0|2,0,0]=4 3247 B6R0.4 C=C(F)COCC 34a_200010262243_100000210202 [2,0,0,0,0,0|2,0,0]=4 3248 B6R0.4 C=C(F)CSCC 62a_100000042424_100000210202 [2,0,0,0,0,0|2,0,0]=4 3249 B6R0.4 C=C(F)CSCC 62a_100000210202_100000042424 [2,0,0,0,0,0|2,0,0]=4 3250 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [2,0,0,0,0,0|0,0,2]=4 3251 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [2,0,0,0,0,0|0,0,2]=4 3252 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [2,0,0,0,0,0|0,0,2]=4 3253 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [2,0,0,0,0,0|0,0,2]=4 3254 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [2,0,0,0,0,0|1,0,1]=4 3255 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [2,0,0,0,0,0|1,0,1]=4 3256 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [2,0,0,0,0,0|1,0,0]=3 3257 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [2,0,0,0,0,0|1,0,0]=3 3258 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [2,0,0,0,0,0|1,0,0]=3 3259 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [2,0,0,0,0,0|1,0,0]=3 3260 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [2,0,0,0,0,0|1,0,0]=3 3261 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [2,0,0,0,0,0|1,0,0]=3 3262 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [2,0,0,0,0,0|2,0,0]=4 3263 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [2,0,0,0,0,0|2,0,0]=4 3264 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [2,0,0,0,0,0|2,0,0]=4 3265 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [2,0,0,0,0,0|2,0,0]=4 3266 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [2,0,0,0,0,0|2,0,0]=4 3267 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [2,0,0,0,0,0|2,0,0]=4 3268 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [2,0,0,0,0,0|2,0,0]=4 3269 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [2,0,0,0,0,0|2,0,0]=4 3270 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [2,0,0,0,0,0|2,0,0]=4 3271 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [2,0,0,0,0,0|0,0,2]=4 3272 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [2,0,0,0,0,0|0,0,2]=4 3273 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [2,0,0,0,0,0|0,0,2]=4 3274 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [2,0,0,0,0,0|0,0,2]=4 3275 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [2,0,0,0,0,0|0,0,2]=4 3276 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [2,0,0,0,0,0|0,0,2]=4 3277 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [2,0,0,0,0,0|0,0,2]=4 3278 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [2,0,0,0,0,0|0,0,0]=2 3279 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [2,0,0,0,0,0|0,0,0]=2 3280 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [2,0,0,0,0,0|0,0,0]=2 3281 B6R0.4 CCCCN(C)C 2230a_100000207549_200000210301 [2,0,0,0,0,0|2,0,0]=4 3282 B6R0.4 CCCCN(C)C 2230a_100102631434_100000210211 [2,0,0,0,0,0|2,0,0]=4 3283 B6R0.4 CCCCN(C)C 269982a_100000207549_200000210301 [2,0,0,0,0,0|2,0,0]=4 3284 B6R0.4 CCCCN(C)C 269982a_100102631434_100000210211 [2,0,0,0,0,0|2,0,0]=4 3285 B6R0.4 CCCCN(C)[13CH3] 2230a_100000207549_200025704644 [2,0,0,0,0,0|2,0,0]=4 3286 B6R0.4 CCCCN(C)[13CH3] 269982a_100000207549_200025704644 [2,0,0,0,0,0|2,0,0]=4 3287 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [2,0,0,0,0,0|1,0,0]=3 3288 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [2,0,0,0,0,0|1,0,0]=3 3289 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [2,0,0,0,0,0|1,0,0]=3 3290 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [2,0,0,0,0,0|1,0,0]=3 3291 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [2,0,0,0,0,0|2,0,0]=4 3292 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [2,0,0,0,0,0|2,0,0]=4 3293 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [2,0,0,0,0,0|2,0,0]=4 3294 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [2,0,0,0,0,0|2,0,0]=4 3295 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [2,0,0,0,0,0|1,0,0]=3 3296 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [2,0,0,0,0,0|1,0,0]=3 3297 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [2,0,0,0,0,0|2,0,0]=4 3298 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [2,0,0,0,0,0|1,0,0]=3 3299 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [2,0,0,0,0,0|2,0,0]=4 3300 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [2,0,0,0,0,0|1,0,0]=3 3301 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [2,0,0,0,0,0|2,0,0]=4 3302 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [2,0,0,0,0,0|2,0,0]=4 3303 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [2,0,0,0,0,0|1,0,0]=3 3304 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [2,0,0,0,0,0|2,0,0]=4 3305 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [2,0,0,0,0,0|2,0,0]=4 3306 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [2,0,0,0,0,0|1,0,0]=3 3307 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [2,0,0,0,0,0|2,0,0]=4 3308 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [2,0,0,0,0,0|2,0,0]=4 3309 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [2,0,0,0,0,0|2,0,0]=4 3310 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [2,0,0,0,0,0|2,0,0]=4 3311 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [2,0,0,0,0,0|1,0,0]=3 3312 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [2,0,0,0,0,0|1,0,0]=3 3313 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [2,0,0,0,0,0|1,0,0]=3 3314 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [2,0,0,0,0,0|1,0,0]=3 3315 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [2,0,0,0,0,0|2,0,0]=4 3316 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [2,0,0,0,0,0|2,0,0]=4 3317 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [2,0,0,0,0,0|2,0,0]=4 3318 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [2,0,0,0,0,0|1,0,0]=3 3319 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [2,0,0,0,0,0|2,0,0]=4 3320 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [2,0,0,0,0,0|1,0,0]=3 3321 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [2,0,0,0,0,0|1,0,0]=3 3322 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [2,0,0,0,0,0|1,0,0]=3 3323 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [2,0,0,0,0,0|1,0,0]=3 3324 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [2,0,0,0,0,0|2,0,0]=4 3325 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [2,0,0,0,0,0|2,0,0]=4 3326 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [2,0,0,0,0,0|1,0,0]=3 3327 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [2,0,0,0,0,0|2,0,0]=4 3328 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [2,0,0,0,0,0|2,0,0]=4 3329 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [2,0,0,0,0,0|1,0,1]=4 3330 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [2,0,0,0,0,0|2,0,0]=4 3331 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [2,0,0,0,0,0|2,0,0]=4 3332 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [2,0,0,0,0,0|2,0,0]=4 3333 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [2,0,0,0,0,0|2,0,0]=4 3334 B8R0.4 C/C=C/C=C/COCC 34a_100016283227_100000210202 [1,1,0,0,0,0|0,0,1]=3 3335 B8R0.4 C/C=C/C=C/COCF 34a_100016283227_100015361967 [1,1,0,0,0,0|1,0,1]=4 3336 B8R0.4 C/C=C/CCOCCC 34a_100016278192_100000210303 [1,1,0,0,0,0|0,0,1]=3 3337 B8R0.4 C/C=C/CCOCCF 34a_100016278192_100011217306 [1,1,0,0,0,0|1,0,1]=4 3338 B8R0.4 C/C=C/CCOCCO 34a_100016278192_100000211926 [1,1,0,0,0,0|1,0,1]=4 3339 B8R0.4 C/C=C/CCOCSC 34a_100016278192_100011218213 [1,1,0,0,0,0|1,0,1]=4 3340 B8R0.4 C/C=C/CNCCCC 7a_106832991798_100102629194 [1,1,0,0,0,0|0,0,1]=3 3341 B8R0.4 C/C=C/CNCCCF 34a_100015189416_100102629194 [1,1,0,0,0,0|1,0,1]=4 3342 B8R0.4 C/C=C/COCCCBr 34a_100011217188_100102629194 [1,1,0,0,0,0|1,0,1]=4 3343 B8R0.4 C/C=C/COCCCC 34a_100000210227_100102629194 [1,1,0,0,0,0|0,0,1]=3 3344 B8R0.4 C/C=C/COCCCC 34a_100016270725_100000210210 [1,1,0,0,0,0|0,0,1]=3 3345 B8R0.4 C/C=C/COCCCC 7a_100000210227_100102629194 [1,1,0,0,0,0|0,0,1]=3 3346 B8R0.4 C/C=C/COCCCCl 34a_100000230001_100102629194 [1,1,0,0,0,0|1,0,1]=4 3347 B8R0.4 C/C=C/COCCCF 34a_100000759539_100102629194 [1,1,0,0,0,0|1,0,1]=4 3348 B8R0.4 C/C=C/COCCCF 34a_100016270725_100011934791 [1,1,0,0,0,0|1,0,1]=4 3349 B8R0.4 C/C=C/COCCCN 34a_100000182051_100102629194 [1,1,0,0,0,0|1,0,1]=4 3350 B8R0.4 C/C=C/COCCCO 34a_100016270725_100000230001 [1,1,0,0,0,0|1,0,1]=4 3351 B8R0.4 C/C=C/COCCOC 34a_100000210237_100102629194 [1,1,0,0,0,0|1,0,1]=4 3352 B8R0.4 C/C=C/COCCOC 34a_100016270725_100011201679 [1,1,0,0,0,0|1,0,1]=4 3353 B8R0.4 C/C=C/COCCSC 34a_100000230434_100102629194 [1,1,0,0,0,0|1,0,1]=4 3354 B8R0.4 C/C=C/COCCSC 34a_100016270725_100000212216 [1,1,0,0,0,0|1,0,1]=4 3355 B8R0.4 C/C=C/COCCSC 7a_100000230434_100102629194 [1,1,0,0,0,0|1,0,1]=4 3356 B8R0.4 C/C=C/CSCCCC 62a_100000210211_100102629194 [1,1,0,0,0,0|0,0,1]=3 3357 B8R0.4 C/C=C/CSCCCC 62a_100102629194_100000210210 [1,1,0,0,0,0|0,0,1]=3 3358 B8R0.4 C/C=C/CSCCCF 62a_100011934791_100102629194 [1,1,0,0,0,0|1,0,1]=4 3359 B8R0.4 C/C=C/CSCCCF 62a_100102629194_100011934791 [1,1,0,0,0,0|1,0,1]=4 3360 B8R0.4 C/C=C/CSCCCO 62a_100011215043_100102629194 [1,1,0,0,0,0|1,0,1]=4 3361 B8R0.4 C/C=C/CSCCCO 62a_100102629194_100011215043 [1,1,0,0,0,0|1,0,1]=4 3362 B8R0.4 C/C=C/CSCCOC 62a_100000233755_100102629194 [1,1,0,0,0,0|1,0,1]=4 3363 B8R0.4 C/C=C/CSCCOC 62a_100102629194_100000233755 [1,1,0,0,0,0|1,0,1]=4 3364 B8R0.4 C/C=C/CSCCSC 62a_100000212216_100102629194 [1,1,0,0,0,0|1,0,1]=4 3365 B8R0.4 C/C=C/CSCCSC 62a_100102629194_100000751147 [1,1,0,0,0,0|1,0,1]=4 3366 B8R0.4 C/C=C/CSCOCC 62a_100000739092_100102629194 [1,1,0,0,0,0|1,0,1]=4 3367 B8R0.4 C/C=C/CSCOCC 62a_100102629194_100000739092 [1,1,0,0,0,0|1,0,1]=4 3368 B8R0.4 CC/C=C/CCCOC 34a_100016287902_200000210301 [1,1,0,0,0,0|0,0,1]=3 3369 B8R0.4 CC/C=C/CCCOC 7a_100016287902_200000210301 [1,1,0,0,0,0|0,0,1]=3 3370 B8R0.4 CC/C=C/CCCO[13CH3] 34a_100016287902_200025704644 [1,1,0,0,0,0|0,0,1]=3 3371 B8R0.4 CC/C=C/CCCO[13CH3] 7a_100016287902_200025704644 [1,1,0,0,0,0|0,0,1]=3 3372 B8R0.4 CC/C=C\CCNCC 2230a_100015525214_100015370543 [1,1,0,0,0,0|0,0,1]=3 3373 B8R0.4 CC/C=C\CCOCC 34a_100016288707_100000210202 [1,1,0,0,0,0|0,0,1]=3 3374 B8R0.4 CC/C=C\CCOCC 34a_100121572206_100015370543 [1,1,0,0,0,0|0,0,1]=3 3375 B8R0.4 CC/C=C\CCOCC 7a_100016288707_100000210202 [1,1,0,0,0,0|0,0,1]=3 3376 B8R0.4 CC/C=C\CCOCF 34a_100016288707_100015361967 [1,1,0,0,0,0|1,0,1]=4 3377 B8R0.4 CC/C=C\CCOCF 7a_100016288707_100015361967 [1,1,0,0,0,0|1,0,1]=4 3378 B8R0.4 CC/C=C\CCSCC 62a_100000210202_100015370543 [1,1,0,0,0,0|0,0,1]=3 3379 B8R0.4 CC/C=C\CCSCC 62a_100015370543_100000210202 [1,1,0,0,0,0|0,0,1]=3 3380 B8R0.4 CC/C=C\CCSCF 62a_100015361967_100015370543 [1,1,0,0,0,0|1,0,1]=4 3381 B8R0.4 CC/C=C\CCSCF 62a_100015370543_100015361967 [1,1,0,0,0,0|1,0,1]=4 3382 B8R0.4 CC/C=C\CNCCF 34a_100000724931_100103147603 [1,1,0,0,0,0|1,0,1]=4 3383 B8R0.4 CC/C=C\CNCCO 2230a_100016997473_100103147603 [1,1,0,0,0,0|1,0,1]=4 3384 B8R0.4 CC/C=C\CNCCO 34a_100016990907_100103147603 [1,1,0,0,0,0|1,0,1]=4 3385 B8R0.4 CC/C=C\COCCBr 34a_100000211926_100103147603 [1,1,0,0,0,0|1,0,1]=4 3386 B8R0.4 CC/C=C\COCCC 34a_100000210258_100103147603 [1,1,0,0,0,0|0,0,1]=3 3387 B8R0.4 CC/C=C\COCCC 34a_100016268518_100000210303 [1,1,0,0,0,0|0,0,1]=3 3388 B8R0.4 CC/C=C\COCCF 34a_100016268518_100011217306 [1,1,0,0,0,0|1,0,1]=4 3389 B8R0.4 CC/C=C\COCCN 34a_100000210304_100103147603 [1,1,0,0,0,0|1,0,1]=4 3390 B8R0.4 CC/C=C\COCCO 34a_100016268518_100000211926 [1,1,0,0,0,0|1,0,1]=4 3391 B8R0.4 CC/C=C\COCSC 34a_100016268518_100011218213 [1,1,0,0,0,0|1,0,1]=4 3392 B8R0.4 CC/C=C\CSCCC 62a_100000210303_100103147603 [1,1,0,0,0,0|0,0,1]=3 3393 B8R0.4 CC/C=C\CSCCC 62a_100103147603_100000210303 [1,1,0,0,0,0|0,0,1]=3 3394 B8R0.4 CC/C=C\CSCCF 62a_100011217306_100103147603 [1,1,0,0,0,0|1,0,1]=4 3395 B8R0.4 CC/C=C\CSCCF 62a_100103147603_100011217306 [1,1,0,0,0,0|1,0,1]=4 3396 B8R0.4 CC/C=C\CSCCO 62a_100000211926_100103147603 [1,1,0,0,0,0|1,0,1]=4 3397 B8R0.4 CC/C=C\CSCCO 62a_100103147603_100000211926 [1,1,0,0,0,0|1,0,1]=4 3398 B8R0.4 CC/C=C\CSCOC 62a_100000766300_100103147603 [1,1,0,0,0,0|1,0,1]=4 3399 B8R0.4 CC/C=C\CSCOC 62a_100103147603_100000766300 [1,1,0,0,0,0|1,0,1]=4 3400 B8R0.4 CC/C=C\CSCSC 62a_100011218213_100103147603 [1,1,0,0,0,0|1,0,1]=4 3401 B8R0.4 CC/C=C\CSCSC 62a_100103147603_100011218213 [1,1,0,0,0,0|1,0,1]=4 3402 B8R0.4 CC=C=CCCOCC 34a_100011020354_100000210202 [1,1,0,0,0,0|0,0,1]=3 3403 B8R0.4 CC=C=CCCOCF 34a_100011020354_100015361967 [1,1,0,0,0,0|1,0,1]=4 3404 B8R0.4 CC=CCCCOCC 34a_100020645299_100000210202 [1,1,0,0,0,0|0,0,1]=3 3405 B8R0.4 CC=CCCCOCF 34a_100020645299_100015361967 [1,1,0,0,0,0|1,0,1]=4 3406 B8R0.4 CC=CCNCCCC 2230a_100000102301_100000070051 [1,1,0,0,0,0|0,0,1]=3 3407 B8R0.4 CC=CCNCCCC 7a_106832991798_100000070051 [1,1,0,0,0,0|0,0,1]=3 3408 B8R0.4 CC=CCNCCCF 2230a_100015189416_100000070051 [1,1,0,0,0,0|1,0,1]=4 3409 B8R0.4 CC=CCNCCCF 34a_100015189416_100000070051 [1,1,0,0,0,0|1,0,1]=4 3410 B8R0.4 CC=CCNCCOC 2230a_100000209980_100000070051 [1,1,0,0,0,0|1,0,1]=4 3411 B8R0.4 CC=CCNCCSC 2230a_100020590264_100000070051 [1,1,0,0,0,0|1,0,1]=4 3412 B8R0.4 CC=CCOCCCBr 34a_100011217188_100000070051 [1,1,0,0,0,0|1,0,1]=4 3413 B8R0.4 CC=CCOCCCC 34a_100000210227_100000070051 [1,1,0,0,0,0|0,0,1]=3 3414 B8R0.4 CC=CCOCCCC 7a_100000210227_100000070051 [1,1,0,0,0,0|0,0,1]=3 3415 B8R0.4 CC=CCOCCCCl 34a_100000230001_100000070051 [1,1,0,0,0,0|1,0,1]=4 3416 B8R0.4 CC=CCOCCCF 34a_100000759539_100000070051 [1,1,0,0,0,0|1,0,1]=4 3417 B8R0.4 CC=CCOCCCN 34a_100000182051_100000070051 [1,1,0,0,0,0|1,0,1]=4 3418 B8R0.4 CC=CCOCCOC 34a_100000210237_100000070051 [1,1,0,0,0,0|1,0,1]=4 3419 B8R0.4 CC=CCOCCSC 34a_100000230434_100000070051 [1,1,0,0,0,0|1,0,1]=4 3420 B8R0.4 CC=CCOCCSC 7a_100000230434_100000070051 [1,1,0,0,0,0|1,0,1]=4 3421 B8R0.4 CC=CCSCCCC 62a_100000070051_100000210210 [1,1,0,0,0,0|0,0,1]=3 3422 B8R0.4 CC=CCSCCCC 62a_100000210211_100000070051 [1,1,0,0,0,0|0,0,1]=3 3423 B8R0.4 CC=CCSCCCF 62a_100000070051_100011934791 [1,1,0,0,0,0|1,0,1]=4 3424 B8R0.4 CC=CCSCCCF 62a_100011934791_100000070051 [1,1,0,0,0,0|1,0,1]=4 3425 B8R0.4 CC=CCSCCCO 62a_100000070051_100011215043 [1,1,0,0,0,0|1,0,1]=4 3426 B8R0.4 CC=CCSCCCO 62a_100011215043_100000070051 [1,1,0,0,0,0|1,0,1]=4 3427 B8R0.4 CC=CCSCCOC 62a_100000070051_100000233755 [1,1,0,0,0,0|1,0,1]=4 3428 B8R0.4 CC=CCSCCOC 62a_100000233755_100000070051 [1,1,0,0,0,0|1,0,1]=4 3429 B8R0.4 CC=CCSCCSC 62a_100000070051_100000751147 [1,1,0,0,0,0|1,0,1]=4 3430 B8R0.4 CC=CCSCCSC 62a_100000212216_100000070051 [1,1,0,0,0,0|1,0,1]=4 3431 B8R0.4 CC=CCSCOCC 62a_100000070051_100000739092 [1,1,0,0,0,0|1,0,1]=4 3432 B8R0.4 CC=CCSCOCC 62a_100000739092_100000070051 [1,1,0,0,0,0|1,0,1]=4 3433 B8R0.4 CC=NNCCCCC 4a_100000694160_200000210099 [1,1,0,0,0,0|1,0,1]=4 3434 B8R0.4 CC=NNCCOCC 4a_100000732670_200000210099 [1,1,0,0,0,0|2,0,0]=4 3435 B8R0.4 CCC/C=C/COCC 34a_100016278788_100000210202 [1,1,0,0,0,0|1,0,1]=4 3436 B8R0.4 CCC/C=C/COCC 7a_100016278788_100000210202 [1,1,0,0,0,0|1,0,1]=4 3437 B8R0.4 CCC=CC=NNCC 4a_100000756455_100011216943 [1,1,0,0,0,0|2,0,0]=4 3438 B8R0.4 CCC=NNCCCC 4a_100025702795_100000210100 [1,1,0,0,0,0|1,0,1]=4 3439 B8R0.4 CCCC/C=C/COC 34a_200016272032_200000210301 [1,1,0,0,0,0|0,0,1]=3 3440 B8R0.4 CCCC/C=C/COC 7a_200016272032_200000210301 [1,1,0,0,0,0|0,0,1]=3 3441 B8R0.4 CCCC/C=C/CO[13CH3] 34a_200016272032_200025704644 [1,1,0,0,0,0|0,0,1]=3 3442 B8R0.4 CCCC/C=C/CO[13CH3] 7a_200016272032_200025704644 [1,1,0,0,0,0|0,0,1]=3 3443 B8R0.4 CCCCC=NNCC 4a_100000756455_100000210104 [1,1,0,0,0,0|1,0,1]=4 3444 B8R0.6 C/C=C(\C)/C=NNCC 4a_100000756455_100020587592 [1,1,0,0,0,0|2,0,0]=4 3445 B8R0.6 C/C=C/C=CC(=O)CC 1458a_100000185730_100000210202 [1,1,0,0,0,0|0,0,2]=4 3446 B8R0.6 C/C=C/COC(C)CC 34a_100016270725_100011215416 [1,1,0,0,0,0|1,0,1]=4 3447 B8R0.6 C/C=C/COC(C)CC 7a_100000210228_100102629194 [1,1,0,0,0,0|1,0,1]=4 3448 B8R0.6 C/C=C/CSC(C)CC 62a_100000758301_100102629194 [1,1,0,0,0,0|1,0,1]=4 3449 B8R0.6 C/C=C/CSC(C)CC 62a_100102629194_100000758301 [1,1,0,0,0,0|1,0,1]=4 3450 B8R0.6 C=CC(=O)CCCCC 1458a_100000185746_100000210326 [1,1,0,0,0,0|0,0,2]=4 3451 B8R0.6 C=CC(=O)NCCCC 1626a_100000102301_100000185746 [1,1,0,0,0,0|1,0,1]=4 3452 B8R0.6 C=CC(=O)NCCCC 240690a_100000102301_200121576911 [1,1,0,0,0,0|1,0,1]=4 3453 B8R0.6 CC/C=C/CC(=O)CC 1458a_100016274230_100000210202 [1,1,0,0,0,0|0,0,2]=4 3454 B8R0.6 CC/C=C\CC(=O)CC 1458a_100000210414_100103147603 [1,1,0,0,0,0|0,0,2]=4 3455 B8R0.6 CC/C=C\CN(C)CC 2230a_100000225621_100103147603 [1,1,0,0,0,0|1,0,1]=4 3456 B8R0.6 CC/C=C\CN(C)CC 269982a_100000225621_100103147603 [1,1,0,0,0,0|1,0,1]=4 3457 B8R0.6 CC=CCNC(C)CC 2230a_100000209981_100000070051 [1,1,0,0,0,0|1,0,1]=4 3458 B8R0.6 CC=CCOC(C)CC 7a_100000210228_100000070051 [1,1,0,0,0,0|1,0,1]=4 3459 B8R0.6 CC=CCSC(C)CC 62a_100000070051_100000758301 [1,1,0,0,0,0|1,0,1]=4 3460 B8R0.6 CC=CCSC(C)CC 62a_100000758301_100000070051 [1,1,0,0,0,0|1,0,1]=4 3461 B8R0.6 CC=NNCC(O)CC 4a_100015206393_200000210099 [1,1,0,0,0,0|2,0,0]=4 3462 B8R0.6 CCCC=CC(=O)CC 1458a_100000212230_100000210202 [1,1,0,0,0,0|0,0,2]=4 3463 B8R0.6 CCCC=CC(=O)NC 11a_106832991635_100000212230 [1,1,0,0,0,0|1,0,1]=4 3464 B8R0.6 CCCC=CC(=O)NC 1626a_100102657272_100000212230 [1,1,0,0,0,0|1,0,1]=4 3465 B8R0.6 CCCC=CC(=O)NC 240690a_100102657272_100000212230 [1,1,0,0,0,0|1,0,1]=4 3466 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [1,1,0,0,0,0|0,0,2]=4 3467 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [1,1,0,0,0,0|0,0,2]=4 3468 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [1,1,0,0,0,0|1,0,1]=4 3469 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [1,1,0,0,0,0|1,0,1]=4 3470 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [1,1,0,0,0,0|1,0,1]=4 3471 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [1,1,0,0,0,0|1,0,1]=4 3472 B8R0.6 CCCCNC(=O)CC 11a_100000102301_100000210414 [1,1,0,0,0,0|1,0,1]=4 3473 B8R0.6 CCCCNC(=O)CC 1626a_100000102301_100000210414 [1,1,0,0,0,0|1,0,1]=4 3474 B8R0.6 CCCCNC(=O)CC 240690a_100000102301_100000210414 [1,1,0,0,0,0|1,0,1]=4 3475 B8R0.6 CCCCNC(=O)CC 527a_100000102301_100000210414 [1,1,0,0,0,0|1,0,1]=4 3476 B8R0.6 CCCCNC(=O)NC 2708a_100000102301_106832991635 [1,1,0,0,0,0|2,0,0]=4 3477 B8R0.6 CCCCNC(=O)NC 2708a_100102657272_100000102301 [1,1,0,0,0,0|2,0,0]=4 3478 B8R0.6 CCCCNC(=O)NC 273464a_100000102301_100102657272 [1,1,0,0,0,0|2,0,0]=4 3479 B8R0.6 CCCCNC(=O)NC 273464a_100102657272_100000102301 [1,1,0,0,0,0|2,0,0]=4 3480 B8R0.6 CCCCNC(=O)NC 512a_100000102301_100102657272 [1,1,0,0,0,0|2,0,0]=4 3481 B8R0.6 CCCCNC(=O)NC 512a_106832991638_100000102301 [1,1,0,0,0,0|2,0,0]=4 3482 B8R0.7 C/C=C/CCOC(C)C 34a_100016278192_100000210206 [1,1,0,0,0,0|1,0,1]=4 3483 B8R0.7 C/C=C/CNCC(C)C 34a_100000210953_100102629194 [1,1,0,0,0,0|1,0,1]=4 3484 B8R0.7 C/C=C/CNCC(C)O 34a_100000210904_100102629194 [1,1,0,0,0,0|1,0,1]=4 3485 B8R0.7 C/C=C/COCC(C)Br 34a_100012180447_100102629194 [1,1,0,0,0,0|1,0,1]=4 3486 B8R0.7 C/C=C/COCC(C)C 34a_100000210257_100102629194 [1,1,0,0,0,0|1,0,1]=4 3487 B8R0.7 C/C=C/COCC(C)C 34a_100016270725_100000210624 [1,1,0,0,0,0|1,0,1]=4 3488 B8R0.7 C/C=C/COCC(C)F 34a_100015925927_100102629194 [1,1,0,0,0,0|1,0,1]=4 3489 B8R0.7 C/C=C/COCC(C)O 34a_100016270725_100011218427 [1,1,0,0,0,0|1,0,1]=4 3490 B8R0.7 C/C=C/COC[C@@H](C)Cl 34a_100016084084_100102629194 [1,1,0,0,0,0|1,0,1]=4 3491 B8R0.7 C/C=C/COC[C@@H](C)N 34a_100000737577_100102629194 [1,1,0,0,0,0|1,0,1]=4 3492 B8R0.7 C/C=C/COC[C@@H](C)O 34a_100016270725_100009817552 [1,1,0,0,0,0|1,0,1]=4 3493 B8R0.7 C/C=C/CSCC(C)C 62a_100000210624_100102629194 [1,1,0,0,0,0|1,0,1]=4 3494 B8R0.7 C/C=C/CSCC(C)C 62a_100102629194_100000210760 [1,1,0,0,0,0|1,0,1]=4 3495 B8R0.7 C/C=C/CSCC(C)O 62a_100011218427_100102629194 [1,1,0,0,0,0|1,0,1]=4 3496 B8R0.7 C/C=C/CSCC(C)O 62a_100102629194_100011218427 [1,1,0,0,0,0|1,0,1]=4 3497 B8R0.7 C/C=C/CSC[C@@H](C)O 62a_100009817552_100102629194 [1,1,0,0,0,0|1,0,1]=4 3498 B8R0.7 C/C=C/CSC[C@@H](C)O 62a_100102629194_100009817552 [1,1,0,0,0,0|1,0,1]=4 3499 B8R0.7 C=C(C)C=NNCCC 4a_100000740057_100000210575 [1,1,0,0,0,0|2,0,0]=4 3500 B8R0.7 C=C(C)CNCCCC 2230a_100000102301_100000748629 [1,1,0,0,0,0|1,0,1]=4 3501 B8R0.7 C=C(C)CNCCCC 7a_106832991798_100000748629 [1,1,0,0,0,0|1,0,1]=4 3502 B8R0.7 C=C(C)COCCCC 34a_100000210227_100000748629 [1,1,0,0,0,0|1,0,1]=4 3503 B8R0.7 C=C(C)COCCCC 34a_100000210245_100000210210 [1,1,0,0,0,0|1,0,1]=4 3504 B8R0.7 C=C(C)COCCCC 7a_100000210227_100000748629 [1,1,0,0,0,0|1,0,1]=4 3505 B8R0.7 C=C(C)CSCCCC 62a_100000210211_100000211660 [1,1,0,0,0,0|1,0,1]=4 3506 B8R0.7 C=C(C)CSCCCC 62a_100000748629_100000210210 [1,1,0,0,0,0|1,0,1]=4 3507 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [1,1,0,0,0,0|0,0,2]=4 3508 B8R0.7 CC/C=C\CCN(C)C 2230a_100102631434_100015370543 [1,1,0,0,0,0|1,0,1]=4 3509 B8R0.7 CC/C=C\CCN(C)C 269982a_100102631434_100015370543 [1,1,0,0,0,0|1,0,1]=4 3510 B8R0.7 CC/C=C\CNC(C)C 2230a_100138425928_100103147603 [1,1,0,0,0,0|1,0,1]=4 3511 B8R0.7 CC/C=C\CNC(C)C 34a_100138425928_100103147603 [1,1,0,0,0,0|1,0,1]=4 3512 B8R0.7 CC/C=C\COC(C)C 34a_100000212225_100103147603 [1,1,0,0,0,0|1,0,1]=4 3513 B8R0.7 CC/C=C\COC(C)C 34a_100016268518_100000210206 [1,1,0,0,0,0|1,0,1]=4 3514 B8R0.7 CC/C=C\CSC(C)C 62a_100000210206_100103147603 [1,1,0,0,0,0|1,0,1]=4 3515 B8R0.7 CC/C=C\CSC(C)C 62a_100103147603_100000210206 [1,1,0,0,0,0|1,0,1]=4 3516 B8R0.7 CC=CCNCC(C)C 2230a_100000210953_100000070051 [1,1,0,0,0,0|1,0,1]=4 3517 B8R0.7 CC=CCNCC(C)C 34a_100000210953_100000070051 [1,1,0,0,0,0|1,0,1]=4 3518 B8R0.7 CC=CCNCC(C)O 2230a_100000210904_100000070051 [1,1,0,0,0,0|1,0,1]=4 3519 B8R0.7 CC=CCNCC(C)O 34a_100000210904_100000070051 [1,1,0,0,0,0|1,0,1]=4 3520 B8R0.7 CC=CCOCC(C)Br 34a_100012180447_100000070051 [1,1,0,0,0,0|1,0,1]=4 3521 B8R0.7 CC=CCOCC(C)C 34a_100000210257_100000070051 [1,1,0,0,0,0|1,0,1]=4 3522 B8R0.7 CC=CCOCC(C)F 34a_100015925927_100000070051 [1,1,0,0,0,0|1,0,1]=4 3523 B8R0.7 CC=CCOC[C@@H](C)Cl 34a_100016084084_100000070051 [1,1,0,0,0,0|1,0,1]=4 3524 B8R0.7 CC=CCOC[C@@H](C)N 34a_100000737577_100000070051 [1,1,0,0,0,0|1,0,1]=4 3525 B8R0.7 CC=CCSCC(C)C 62a_100000070051_100000210760 [1,1,0,0,0,0|1,0,1]=4 3526 B8R0.7 CC=CCSCC(C)C 62a_100000210624_100000070051 [1,1,0,0,0,0|1,0,1]=4 3527 B8R0.7 CC=CCSCC(C)O 62a_100000070051_100011218427 [1,1,0,0,0,0|1,0,1]=4 3528 B8R0.7 CC=CCSCC(C)O 62a_100011218427_100000070051 [1,1,0,0,0,0|1,0,1]=4 3529 B8R0.7 CC=CCSC[C@@H](C)O 62a_100000070051_100009817552 [1,1,0,0,0,0|1,0,1]=4 3530 B8R0.7 CC=CCSC[C@@H](C)O 62a_100009817552_100000070051 [1,1,0,0,0,0|1,0,1]=4 3531 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [1,1,0,0,0,0|0,0,2]=4 3532 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [1,1,0,0,0,0|0,0,2]=4 3533 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [1,1,0,0,0,0|0,0,0]=2 3534 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [1,1,0,0,0,0|0,0,0]=2 3535 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [1,1,0,0,0,0|0,0,2]=4 3536 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [1,1,0,0,0,0|0,0,2]=4 3537 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [1,1,0,0,0,0|0,0,2]=4 3538 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [1,1,0,0,0,0|1,0,1]=4 3539 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [1,1,0,0,0,0|1,0,1]=4 3540 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [1,1,0,0,0,0|1,0,1]=4 3541 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [1,1,0,0,0,0|1,0,1]=4 3542 B8R0.7 CCCCNNC(=O)C 22a_100025702795_100000070787 [1,1,0,0,0,0|2,0,0]=4 3543 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [1,1,0,0,0,0|1,0,1]=4 3544 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [1,1,0,0,0,0|1,0,1]=4 3545 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [1,1,0,0,0,0|1,0,1]=4 3546 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [1,1,0,0,0,0|1,0,1]=4 3547 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [1,1,0,0,0,0|1,0,1]=4 3548 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [1,1,0,0,0,0|1,0,1]=4 3549 B8R0.7 CCCNCC=C(C)C 34a_100000718196_100000210303 [1,1,0,0,0,0|1,0,1]=4 3550 B8R0.7 CCCOCC=C(C)C 34a_100000210258_100000761012 [1,1,0,0,0,0|1,0,1]=4 3551 B8R0.7 CCCOCC=C(C)C 34a_100000753907_100000210303 [1,1,0,0,0,0|1,0,1]=4 3552 B8R0.7 CCCSCC=C(C)C 62a_100000210303_100000761012 [1,1,0,0,0,0|1,0,1]=4 3553 B8R0.7 CCCSCC=C(C)C 62a_100000761012_100000210303 [1,1,0,0,0,0|1,0,1]=4 3554 B8R0.7 CCNCCC=C(C)C 2230a_100015525214_100011217483 [1,1,0,0,0,0|1,0,1]=4 3555 B8R0.7 CCNN=CC=C(C)C 4a_100000756455_100011215525 [1,1,0,0,0,0|2,0,0]=4 3556 B8R0.7 CCOCCC=C(C)C 34a_100121572206_100011217483 [1,1,0,0,0,0|1,0,1]=4 3557 B8R0.7 CCSCCC=C(C)C 62a_100000210202_100011217483 [1,1,0,0,0,0|1,0,1]=4 3558 B8R0.7 CCSCCC=C(C)C 62a_100011217483_100000210202 [1,1,0,0,0,0|1,0,1]=4 3559 B8R0.3 C#CC(=O)C(C)CCC 1458a_100000211873_100000766640 [1,1,0,0,0,0|0,0,2]=4 3560 B8R0.3 C/C=C(\C)/C(=O)CCC 1458a_100020587367_100000210303 [1,1,0,0,0,0|1,0,1]=4 3561 B8R0.3 C/C=C(\C)/C(C)NCC 269862a_100015525214_100020675665 [1,1,0,0,0,0|2,0,0]=4 3562 B8R0.3 C=CC(=O)C(C)CC#N 1458a_100000185746_100009813641 [1,1,0,0,0,0|1,0,1]=4 3563 B8R0.3 C=CC(=O)C(C)CCC 1458a_100000185746_100000766640 [1,1,0,0,0,0|0,0,0]=2 3564 B8R0.3 C=CC(=O)C(C)CCO 1458a_100000185746_100009893172 [1,1,0,0,0,0|1,0,0]=3 3565 B8R0.3 C=CC(=O)C(C)COC 1458a_100000185746_100000765312 [1,1,0,0,0,0|1,0,0]=3 3566 B8R0.3 C=CC(=O)N(C)CCC 1626a_100000747261_100000185746 [1,1,0,0,0,0|1,0,0]=3 3567 B8R0.3 C=CC(=O)N(C)CCC 240690a_100000747261_200121576911 [1,1,0,0,0,0|1,0,0]=3 3568 B8R0.3 C=CC(=O)N(C)CCO 240690a_100000210263_200121576911 [1,1,0,0,0,0|2,0,0]=4 3569 B8R0.3 CCC(=O)C(C)CCO 1458a_100000210414_100009893172 [1,1,0,0,0,0|1,0,1]=4 3570 B8R0.3 CCC(=O)C(C)COC 1458a_100000210414_100000765312 [1,1,0,0,0,0|1,0,1]=4 3571 B8R0.3 CCC(=O)C(C)COC 1458a_100000751857_100000210202 [1,1,0,0,0,0|1,0,1]=4 3572 B8R0.3 CCC(=O)C(C)CSC 1458a_100000753918_100000210202 [1,1,0,0,0,0|1,0,1]=4 3573 B8R0.3 CCCC(=O)C(=O)NC 1458a_100011218921_100000210303 [1,1,0,0,0,0|1,0,1]=4 3574 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210414_100000766640 [1,1,0,0,0,0|0,0,1]=3 3575 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210906_100000210202 [1,1,0,0,0,0|0,0,1]=3 3576 B8R0.3 CCCC(C)C(=O)CF 1458a_100000210906_100015361967 [1,1,0,0,0,0|1,0,1]=4 3577 B8R0.3 CCCC(C)C(=O)CO 1458a_100000210174_100000766640 [1,1,0,0,0,0|1,0,1]=4 3578 B8R0.3 CCCC(C)C(=O)NC 11a_106832991635_100000210906 [1,1,0,0,0,0|1,0,0]=3 3579 B8R0.3 CCCC(C)C(=O)NC 1626a_100102657272_100000210906 [1,1,0,0,0,0|1,0,0]=3 3580 B8R0.3 CCCC(C)C(=O)NC 240690a_100102657272_100000210906 [1,1,0,0,0,0|1,0,0]=3 3581 B8R0.3 CCCC(C)C(=O)NC 527a_100102657272_100000210906 [1,1,0,0,0,0|1,0,0]=3 3582 B8R0.3 CCCN(C)C(=O)CC 11a_100000747261_100000210414 [1,1,0,0,0,0|1,0,1]=4 3583 B8R0.3 CCCN(C)C(=O)CC 1626a_100000747261_100000210414 [1,1,0,0,0,0|1,0,1]=4 3584 B8R0.3 CCCN(C)C(=O)CC 240690a_100000747261_100000210414 [1,1,0,0,0,0|1,0,1]=4 3585 B8R0.3 CCCN(C)C(=O)CC 527a_100000747261_100000210414 [1,1,0,0,0,0|1,0,1]=4 3586 B8R0.3 CCCN(C)C(=O)NC 2708a_100102657272_100000747261 [1,1,0,0,0,0|2,0,0]=4 3587 B8R0.3 CCCN(C)C(=O)NC 273464a_100102657272_100000747261 [1,1,0,0,0,0|2,0,0]=4 3588 B8R0.3 CCC[C@H](O)C(=O)CC 1458a_100009822183_100000210202 [1,1,0,0,0,0|0,0,1]=3 3589 B8R0.3 CCC[C@H](O)C(=O)CF 1458a_100009822183_100015361967 [1,1,0,0,0,0|1,0,1]=4 3590 B8R0.3 CCC[C@H](O)C(=O)NC 240690a_100102657272_100009822183 [1,1,0,0,0,0|1,0,0]=3 3591 B8R0.3 CCNC(C)C(=O)CC 2230a_100015525214_100000742827 [1,1,0,0,0,0|1,0,1]=4 3592 B8R0.3 CCNC(C)C(=O)NC 2230a_100015525214_100000731044 [1,1,0,0,0,0|2,0,0]=4 3593 B8R0.3 CCNC(C)C(=O)OC 2230a_100015525214_100000211248 [1,1,0,0,0,0|2,0,0]=4 3594 B8R0.3 CCNC(F)C(=O)NC 2230a_100015525214_100009813575 [1,1,0,0,0,0|2,0,0]=4 3595 B8R0.3 CCN[C@H](C)C(=O)NC 2230a_100000684985_100000210202 [1,1,0,0,0,0|2,0,0]=4 3596 B8R0.3 CCN[C@H](C)C(=O)NC 34a_100000684985_100000210202 [1,1,0,0,0,0|2,0,0]=4 3597 B8R0.3 CCOC(C)C(=O)CC 1458a_100000739345_100000210202 [1,1,0,0,0,0|1,0,1]=4 3598 B8R0.3 CCOC(C)C(=O)NC 11a_106832991635_100000739345 [1,1,0,0,0,0|2,0,0]=4 3599 B8R0.3 CCOC(C)C(=O)NC 1626a_100102657272_100000739345 [1,1,0,0,0,0|2,0,0]=4 3600 B8R0.3 CCOC(C)C(=O)NC 240690a_100102657272_100000739345 [1,1,0,0,0,0|2,0,0]=4 3601 B8R0.3 CCOC(C)C(=O)NC 34a_100121572206_100000731044 [1,1,0,0,0,0|2,0,0]=4 3602 B8R0.3 CCOC(C)C(=O)NC 527a_100102657272_100000739345 [1,1,0,0,0,0|2,0,0]=4 3603 B8R0.3 CCOC(C)C(=O)OC 34a_100011215400_100000210202 [1,1,0,0,0,0|2,0,0]=4 3604 B8R0.3 CCOC(C)C(=O)OC 34a_100121572206_100000211248 [1,1,0,0,0,0|2,0,0]=4 3605 B8R0.3 CCOC(F)C(=O)NC 34a_100121572206_100009813575 [1,1,0,0,0,0|2,0,0]=4 3606 B8R0.3 CCSC(C)C(=O)CC 1458a_100000230601_100000210202 [1,1,0,0,0,0|1,0,1]=4 3607 B8R0.3 CCSC(C)C(=O)CC 62a_100000210202_100000742827 [1,1,0,0,0,0|1,0,1]=4 3608 B8R0.3 CCSC(C)C(=O)CC 62a_100000742827_100000210202 [1,1,0,0,0,0|1,0,1]=4 3609 B8R0.3 CCSC(C)C(=O)NC 11a_106832991635_100000230601 [1,1,0,0,0,0|2,0,0]=4 3610 B8R0.3 CCSC(C)C(=O)NC 1626a_100102657272_100000230601 [1,1,0,0,0,0|2,0,0]=4 3611 B8R0.3 CCSC(C)C(=O)NC 240690a_100102657272_100000230601 [1,1,0,0,0,0|2,0,0]=4 3612 B8R0.3 CCSC(C)C(=O)NC 527a_100102657272_100000230601 [1,1,0,0,0,0|2,0,0]=4 3613 B8R0.3 CCSC(C)C(=O)NC 62a_100000209862_100000210202 [1,1,0,0,0,0|2,0,0]=4 3614 B8R0.3 CCSC(C)C(=O)NC 62a_100000210202_100000731044 [1,1,0,0,0,0|2,0,0]=4 3615 B8R0.3 CCSC(C)C(=O)OC 62a_100000210202_100000211248 [1,1,0,0,0,0|2,0,0]=4 3616 B8R0.3 CCSC(C)C(=O)OC 62a_100000211248_100000210202 [1,1,0,0,0,0|2,0,0]=4 3617 B8R0.3 CCSC(F)C(=O)NC 62a_100000210202_100009813575 [1,1,0,0,0,0|2,0,0]=4 3618 B8R0.3 CCSC(F)C(=O)NC 62a_100009813575_100000210202 [1,1,0,0,0,0|2,0,0]=4 3619 B8R0.3 CNC(=O)C(C)CN[13CH3] 2230a_100015187722_200025704644 [1,1,0,0,0,0|2,0,0]=4 3620 B8R0.3 CNC(=O)C(C)CN[13CH3] 34a_100015187722_200025704644 [1,1,0,0,0,0|2,0,0]=4 3621 B8R0.3 CNC(=O)C(C)COC 11a_106832991635_100000751857 [1,1,0,0,0,0|2,0,0]=4 3622 B8R0.3 CNC(=O)C(C)COC 1626a_100102657272_100000751857 [1,1,0,0,0,0|2,0,0]=4 3623 B8R0.3 CNC(=O)C(C)COC 240690a_100102657272_100000751857 [1,1,0,0,0,0|2,0,0]=4 3624 B8R0.3 CNC(=O)C(C)COC 527a_100102657272_100000751857 [1,1,0,0,0,0|2,0,0]=4 3625 B8R0.3 CNC(=O)C(C)CSC 11a_106832991635_100000753918 [1,1,0,0,0,0|2,0,0]=4 3626 B8R0.3 CNC(=O)C(C)CSC 1626a_100102657272_100000753918 [1,1,0,0,0,0|2,0,0]=4 3627 B8R0.3 CNC(=O)C(C)CSC 240690a_100102657272_100000753918 [1,1,0,0,0,0|2,0,0]=4 3628 B8R0.3 CNC(=O)C(C)CSC 527a_100102657272_100000753918 [1,1,0,0,0,0|2,0,0]=4 3629 B8R0.3 CNCC(C)C(=O)NC 2230a_100015187722_200000210301 [1,1,0,0,0,0|2,0,0]=4 3630 B8R0.3 CNCC(C)C(=O)NC 34a_100015187722_200000210301 [1,1,0,0,0,0|2,0,0]=4 3631 B8R0.3 CNCC(C)C(=O)OC 34a_100102657272_100000698445 [1,1,0,0,0,0|2,0,0]=4 3632 B8R0.3 COC(=O)C(C)CO[13CH3] 34a_100000749362_200025704644 [1,1,0,0,0,0|2,0,0]=4 3633 B8R0.3 COC(=O)C(C)CO[13CH3] 7a_100000749362_200025704644 [1,1,0,0,0,0|2,0,0]=4 3634 B8R0.3 COC(=O)C(C)CSC 62a_100000698445_200000210301 [1,1,0,0,0,0|2,0,0]=4 3635 B8R0.3 COC(=O)C(C)CSC 62a_200000210301_100000698445 [1,1,0,0,0,0|2,0,0]=4 3636 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_100000698445_200025704644 [1,1,0,0,0,0|2,0,0]=4 3637 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_200025704644_100000698445 [1,1,0,0,0,0|2,0,0]=4 3638 B8R0.3 COC(=O)C(F)CO[13CH3] 34a_200009849844_200025704644 [1,1,0,0,0,0|2,0,0]=4 3639 B8R0.3 COC(=O)[C@H](N)CO[13CH3] 34a_100000003586_200025704644 [1,1,0,0,0,0|2,0,0]=4 3640 B8R0.3 COCC(C)C(=O)OC 34a_100000749362_200000210301 [1,1,0,0,0,0|2,0,0]=4 3641 B8R0.3 COCC(C)C(=O)OC 34a_100138415774_100000698445 [1,1,0,0,0,0|2,0,0]=4 3642 B8R0.3 COCC(C)C(=O)OC 7a_100000749362_200000210301 [1,1,0,0,0,0|2,0,0]=4 3643 B8R0.3 COCC(F)C(=O)OC 34a_200009849844_200000210301 [1,1,0,0,0,0|2,0,0]=4 3644 B8R0.3 COC[C@@H](N)C(=O)OC 34a_100000003586_200000210301 [1,1,0,0,0,0|2,0,0]=4 3645 B8R0.8 C#CCCC(=O)C(=C)C 1458a_100000185857_100000753159 [1,1,0,0,0,0|0,0,2]=4 3646 B8R0.8 C=C(Br)C(=O)NCCC 11a_100020643023_100009813364 [1,1,0,0,0,0|1,0,0]=3 3647 B8R0.8 C=C(Br)C(=O)NCCC 1626a_100020643023_100009813364 [1,1,0,0,0,0|1,0,0]=3 3648 B8R0.8 C=C(Br)C(=O)NCCF 11a_100000724931_100009813364 [1,1,0,0,0,0|2,0,0]=4 3649 B8R0.8 C=C(Br)C(=O)NCCF 1626a_100000724931_100009813364 [1,1,0,0,0,0|2,0,0]=4 3650 B8R0.8 C=C(C)C(=O)C/C=C/C 1458a_100000185857_100102629194 [1,1,0,0,0,0|0,0,2]=4 3651 B8R0.8 C=C(C)C(=O)CC#CC 1458a_100000185857_100000748600 [1,1,0,0,0,0|0,0,2]=4 3652 B8R0.8 C=C(C)C(=O)CC=CC 1458a_100000185857_100000070051 [1,1,0,0,0,0|0,0,2]=4 3653 B8R0.8 C=C(C)C(=O)CCC#N 1458a_100000185857_100011215226 [1,1,0,0,0,0|1,0,1]=4 3654 B8R0.8 C=C(C)C(=O)CCCC 1458a_100000185857_100000210211 [1,1,0,0,0,0|0,0,0]=2 3655 B8R0.8 C=C(C)C(=O)CCCF 1458a_100000185857_100011934791 [1,1,0,0,0,0|1,0,0]=3 3656 B8R0.8 C=C(C)C(=O)CCCO 1458a_100000185857_100011215043 [1,1,0,0,0,0|1,0,0]=3 3657 B8R0.8 C=C(C)C(=O)CCOC 1458a_100000185857_100000233755 [1,1,0,0,0,0|1,0,0]=3 3658 B8R0.8 C=C(C)C(=O)CCSC 1458a_100000185857_100000751147 [1,1,0,0,0,0|1,0,0]=3 3659 B8R0.8 C=C(C)C(=O)NCCC 11a_100020643023_100000185857 [1,1,0,0,0,0|1,0,0]=3 3660 B8R0.8 C=C(C)C(=O)NCCC 1626a_100020643023_100000185857 [1,1,0,0,0,0|1,0,0]=3 3661 B8R0.8 C=C(C)C(=O)NCCF 11a_100000724931_100000185857 [1,1,0,0,0,0|2,0,0]=4 3662 B8R0.8 C=C(C)C(=O)NCCF 1626a_100000724931_100000185857 [1,1,0,0,0,0|2,0,0]=4 3663 B8R0.8 C=C(C)C(=O)NNCC 22a_100000756455_100000185857 [1,1,0,0,0,0|2,0,0]=4 3664 B8R0.8 C=C(Cl)C(=O)NCCC 11a_100020643023_100000039160 [1,1,0,0,0,0|1,0,0]=3 3665 B8R0.8 C=C(Cl)C(=O)NCCC 1626a_100020643023_100000039160 [1,1,0,0,0,0|1,0,0]=3 3666 B8R0.8 C=C(Cl)C(=O)NCCF 11a_100000724931_100000039160 [1,1,0,0,0,0|2,0,0]=4 3667 B8R0.8 C=C(Cl)C(=O)NCCF 1626a_100000724931_100000039160 [1,1,0,0,0,0|2,0,0]=4 3668 B8R0.8 C=C(Cl)C(=O)NNCC 22a_100000756455_100000039160 [1,1,0,0,0,0|2,0,0]=4 3669 B8R0.8 C=C(F)C(=O)NCCC 11a_100020643023_100000036797 [1,1,0,0,0,0|1,0,0]=3 3670 B8R0.8 C=C(F)C(=O)NCCC 1626a_100020643023_100000036797 [1,1,0,0,0,0|1,0,0]=3 3671 B8R0.8 C=C(F)C(=O)NCCF 11a_100000724931_100000036797 [1,1,0,0,0,0|2,0,0]=4 3672 B8R0.8 C=C(F)C(=O)NCCF 1626a_100000724931_100000036797 [1,1,0,0,0,0|2,0,0]=4 3673 B8R0.8 C=C(F)C(=O)NNCC 22a_100000756455_100000036797 [1,1,0,0,0,0|2,0,0]=4 3674 B8R0.8 C=CCCC(=O)C(=C)C 1458a_100000185857_100000754431 [1,1,0,0,0,0|0,0,2]=4 3675 B8R0.8 CC(=O)C(=O)CSCF 62a_100011261029_100015361967 [1,1,0,0,0,0|2,0,0]=4 3676 B8R0.8 CC(=O)C(=O)CSCF 62a_100015361967_100011261029 [1,1,0,0,0,0|2,0,0]=4 3677 B8R0.8 CC(C)C(=O)CCCF 1458a_100000210198_100011934791 [1,1,0,0,0,0|1,0,1]=4 3678 B8R0.8 CC(C)C(=O)CCCO 1458a_100000210198_100011215043 [1,1,0,0,0,0|1,0,1]=4 3679 B8R0.8 CC(F)C(=O)CCCF 1458a_100000062450_100011934791 [1,1,0,0,0,0|1,0,1]=4 3680 B8R0.8 CC(F)C(=O)CCCO 1458a_100000062450_100011215043 [1,1,0,0,0,0|1,0,1]=4 3681 B8R0.8 CCC/C=C(\C)/C(=O)C 1458a_200020648666_200000210301 [1,1,0,0,0,0|1,0,1]=4 3682 B8R0.8 CCC/C=C(\C)/C(=O)[13CH3] 1458a_200020648666_200025704644 [1,1,0,0,0,0|1,0,1]=4 3683 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210183_100000210206 [1,1,0,0,0,0|0,0,1]=3 3684 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210198_100000210211 [1,1,0,0,0,0|0,0,1]=3 3685 B8R0.8 CCCCC(=O)C(C)F 1458a_100000062450_100000210211 [1,1,0,0,0,0|0,0,1]=3 3686 B8R0.8 CCCCC(=O)C(O)O 1458a_100000233687_100000210211 [1,1,0,0,0,0|1,0,1]=4 3687 B8R0.8 CCCCC(=O)N(C)C 11a_100102631434_100000210183 [1,1,0,0,0,0|1,0,0]=3 3688 B8R0.8 CCCCC(=O)N(C)C 1626a_100102631434_100000210183 [1,1,0,0,0,0|1,0,0]=3 3689 B8R0.8 CCCCC(=O)N(C)C 240690a_100102631434_100000210183 [1,1,0,0,0,0|1,0,0]=3 3690 B8R0.8 CCCCC(=O)N(C)C 527a_100102631434_100000210183 [1,1,0,0,0,0|1,0,0]=3 3691 B8R0.8 CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210211 [1,1,0,0,0,0|0,0,1]=3 3692 B8R0.8 CCCCC(=O)[C@H](C)O 1458a_217856618621_100000210211 [1,1,0,0,0,0|0,0,1]=3 3693 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [1,1,0,0,0,0|1,0,1]=4 3694 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [1,1,0,0,0,0|1,0,1]=4 3695 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [1,1,0,0,0,0|1,0,1]=4 3696 B8R0.8 CCCCC(O)C(=O)C 1458a_100000720857_200000210301 [1,1,0,0,0,0|0,0,2]=4 3697 B8R0.8 CCCCC(O)C(=O)[13CH3] 1458a_100000720857_200025704644 [1,1,0,0,0,0|0,0,2]=4 3698 B8R0.8 CCCCN(C)C(=O)C 11a_100000207549_100015343762 [1,1,0,0,0,0|2,0,0]=4 3699 B8R0.8 CCCCN(C)C(=O)C 1626a_100000207549_100015343762 [1,1,0,0,0,0|2,0,0]=4 3700 B8R0.8 CCCCN(C)C(=O)C 240690a_100000207549_100015343762 [1,1,0,0,0,0|2,0,0]=4 3701 B8R0.8 CCCCN(C)C(=O)C 527a_100000207549_100103153847 [1,1,0,0,0,0|2,0,0]=4 3702 B8R0.8 CCCNC(=O)C(=O)C 1458a_200011297150_200000210301 [1,1,0,0,0,0|1,0,0]=3 3703 B8R0.8 CCCNC(=O)C(=O)N 240690a_100020643023_100011215815 [1,1,0,0,0,0|2,0,0]=4 3704 B8R0.8 CCCNC(=O)C(=O)[13CH3] 1458a_200011297150_200025704644 [1,1,0,0,0,0|1,0,0]=3 3705 B8R0.8 CCCNC(=O)C(C)C 11a_100020643023_100000210198 [1,1,0,0,0,0|1,0,1]=4 3706 B8R0.8 CCCNC(=O)C(C)C 1626a_100020643023_100000210198 [1,1,0,0,0,0|1,0,1]=4 3707 B8R0.8 CCCNC(=O)C(C)C 240690a_100020643023_100000210198 [1,1,0,0,0,0|1,0,1]=4 3708 B8R0.8 CCCNC(=O)C(C)C 527a_100020643023_100000210198 [1,1,0,0,0,0|1,0,1]=4 3709 B8R0.8 CCCNC(=O)C(C)F 11a_100020643023_100000062450 [1,1,0,0,0,0|1,0,1]=4 3710 B8R0.8 CCCNC(=O)C(C)F 1626a_100020643023_100000062450 [1,1,0,0,0,0|1,0,1]=4 3711 B8R0.8 CCCNC(=O)C(C)F 240690a_100020643023_100000062450 [1,1,0,0,0,0|1,0,1]=4 3712 B8R0.8 CCCNC(=O)C(C)F 527a_100020643023_100000062450 [1,1,0,0,0,0|1,0,1]=4 3713 B8R0.8 CCCNC(=O)N(C)C 2708a_100020643023_100102631434 [1,1,0,0,0,0|2,0,0]=4 3714 B8R0.8 CCCNC(=O)[C@@H](C)O 240690a_100020643023_100000717761 [1,1,0,0,0,0|1,0,1]=4 3715 B8R0.8 CCCNC(=O)[C@H](C)O 1626a_100020643023_217856618621 [1,1,0,0,0,0|1,0,1]=4 3716 B8R0.8 CCCNC(=O)[C@H](C)O 240690a_100020643023_217856618621 [1,1,0,0,0,0|1,0,1]=4 3717 B8R0.8 CCNCC(=O)C(C)C 2230a_100015525214_100000753385 [1,1,0,0,0,0|1,0,1]=4 3718 B8R0.8 CCNCC(=O)N(C)C 2230a_100015183351_100000210202 [1,1,0,0,0,0|2,0,0]=4 3719 B8R0.8 CCNCC(=O)N(C)C 2230a_100015525214_100000185267 [1,1,0,0,0,0|2,0,0]=4 3720 B8R0.8 CCOCC(=O)C(=O)C 34a_100121572206_100011261029 [1,1,0,0,0,0|1,0,0]=3 3721 B8R0.8 CCOCC(=O)C(C)C 1458a_100000211967_100000210206 [1,1,0,0,0,0|1,0,1]=4 3722 B8R0.8 CCOCC(=O)C(C)C 34a_100121572206_100000753385 [1,1,0,0,0,0|1,0,1]=4 3723 B8R0.8 CCOCC(=O)N(C)C 11a_100102631434_100000211967 [1,1,0,0,0,0|2,0,0]=4 3724 B8R0.8 CCOCC(=O)N(C)C 1626a_100102631434_100000211967 [1,1,0,0,0,0|2,0,0]=4 3725 B8R0.8 CCOCC(=O)N(C)C 240690a_100102631434_100000211967 [1,1,0,0,0,0|2,0,0]=4 3726 B8R0.8 CCOCC(=O)N(C)C 34a_100121572206_100000692301 [1,1,0,0,0,0|2,0,0]=4 3727 B8R0.8 CCOCC(=O)N(C)C 527a_100102631434_100000211967 [1,1,0,0,0,0|2,0,0]=4 3728 B8R0.8 CCSCC(=O)C(=O)C 62a_100000210202_100011261029 [1,1,0,0,0,0|1,0,0]=3 3729 B8R0.8 CCSCC(=O)C(=O)C 62a_100011261029_100000210202 [1,1,0,0,0,0|1,0,0]=3 3730 B8R0.8 CCSCC(=O)C(C)C 1458a_100000230394_100000210206 [1,1,0,0,0,0|1,0,1]=4 3731 B8R0.8 CCSCC(=O)C(C)C 62a_100000210202_100000753385 [1,1,0,0,0,0|1,0,1]=4 3732 B8R0.8 CCSCC(=O)C(C)C 62a_100000753385_100000210202 [1,1,0,0,0,0|1,0,1]=4 3733 B8R0.8 CCSCC(=O)N(C)C 11a_100102631434_100000230394 [1,1,0,0,0,0|2,0,0]=4 3734 B8R0.8 CCSCC(=O)N(C)C 1626a_100102631434_100000230394 [1,1,0,0,0,0|2,0,0]=4 3735 B8R0.8 CCSCC(=O)N(C)C 240690a_100102631434_100000230394 [1,1,0,0,0,0|2,0,0]=4 3736 B8R0.8 CCSCC(=O)N(C)C 527a_100102631434_100000230394 [1,1,0,0,0,0|2,0,0]=4 3737 B8R0.8 CCSCC(=O)N(C)C 62a_100000210202_100000692301 [1,1,0,0,0,0|2,0,0]=4 3738 B8R0.8 CCSCC(=O)N(C)C 62a_100000692301_100000210202 [1,1,0,0,0,0|2,0,0]=4 3739 B8R0.8 CN(C)C(=O)CCN[13CH3] 2230a_100000738053_200025704644 [1,1,0,0,0,0|2,0,0]=4 3740 B8R0.8 CN(C)C(=O)CCO[13CH3] 34a_200000747469_200025704644 [1,1,0,0,0,0|2,0,0]=4 3741 B8R0.8 CN(C)C(=O)CCS[13CH3] 62a_100000737620_200025704644 [1,1,0,0,0,0|2,0,0]=4 3742 B8R0.8 CN(C)C(=O)CCS[13CH3] 62a_200025704644_100000737620 [1,1,0,0,0,0|2,0,0]=4 3743 B8R0.8 CNCCC(=O)N(C)C 2230a_100000738053_200000210301 [1,1,0,0,0,0|2,0,0]=4 3744 B8R0.8 CNCCC(=O)N(C)C 2230a_106832991635_100000737620 [1,1,0,0,0,0|2,0,0]=4 3745 B8R0.8 CNCCC(=O)N(C)C 7a_106832991635_100000737620 [1,1,0,0,0,0|2,0,0]=4 3746 B8R0.8 COCCC(=O)C(C)C 1458a_100000210198_100000233755 [1,1,0,0,0,0|1,0,1]=4 3747 B8R0.8 COCCC(=O)C(C)C 1458a_100000749529_100000210206 [1,1,0,0,0,0|1,0,1]=4 3748 B8R0.8 COCCC(=O)C(C)F 1458a_100000062450_100000233755 [1,1,0,0,0,0|1,0,1]=4 3749 B8R0.8 COCCC(=O)N(C)C 11a_100102631434_100000749529 [1,1,0,0,0,0|2,0,0]=4 3750 B8R0.8 COCCC(=O)N(C)C 1626a_100102631434_100000749529 [1,1,0,0,0,0|2,0,0]=4 3751 B8R0.8 COCCC(=O)N(C)C 240690a_100102631434_100000749529 [1,1,0,0,0,0|2,0,0]=4 3752 B8R0.8 COCCC(=O)N(C)C 34a_200000747469_200000210301 [1,1,0,0,0,0|2,0,0]=4 3753 B8R0.8 COCCC(=O)N(C)C 527a_100102631434_100000749529 [1,1,0,0,0,0|2,0,0]=4 3754 B8R0.8 COCCC(=O)[C@@H](C)O 1458a_100000717761_100000233755 [1,1,0,0,0,0|1,0,1]=4 3755 B8R0.8 COCCC(=O)[C@H](C)O 1458a_217856618621_100000233755 [1,1,0,0,0,0|1,0,1]=4 3756 B8R0.8 CSCCC(=O)C(C)C 1458a_100000174002_100000210206 [1,1,0,0,0,0|1,0,1]=4 3757 B8R0.8 CSCCC(=O)C(C)C 1458a_100000210198_100000751147 [1,1,0,0,0,0|1,0,1]=4 3758 B8R0.8 CSCCC(=O)C(C)F 1458a_100000062450_100000751147 [1,1,0,0,0,0|1,0,1]=4 3759 B8R0.8 CSCCC(=O)N(C)C 11a_100102631434_100000174002 [1,1,0,0,0,0|2,0,0]=4 3760 B8R0.8 CSCCC(=O)N(C)C 1626a_100102631434_100000174002 [1,1,0,0,0,0|2,0,0]=4 3761 B8R0.8 CSCCC(=O)N(C)C 240690a_100102631434_100000174002 [1,1,0,0,0,0|2,0,0]=4 3762 B8R0.8 CSCCC(=O)N(C)C 527a_100102631434_100000174002 [1,1,0,0,0,0|2,0,0]=4 3763 B8R0.8 CSCCC(=O)N(C)C 62a_100000737620_200000210301 [1,1,0,0,0,0|2,0,0]=4 3764 B8R0.8 CSCCC(=O)N(C)C 62a_200000210301_100000737620 [1,1,0,0,0,0|2,0,0]=4 3765 B8R0.8 CSCCC(=O)[C@@H](C)O 1458a_100000717761_100000751147 [1,1,0,0,0,0|1,0,1]=4 3766 B8R0.8 CSCCC(=O)[C@H](C)O 1458a_217856618621_100000751147 [1,1,0,0,0,0|1,0,1]=4 3767 B8R0.8 C[C@@H](O)C(=O)CCCF 1458a_100000717761_100011934791 [1,1,0,0,0,0|1,0,1]=4 3768 B8R0.8 C[C@@H](O)C(=O)CCCO 1458a_100000717761_100011215043 [1,1,0,0,0,0|1,0,1]=4 3769 B8R0.8 C[C@H](O)C(=O)CCCF 1458a_217856618621_100011934791 [1,1,0,0,0,0|1,0,1]=4 3770 B8R0.8 C[C@H](O)C(=O)CCCO 1458a_217856618621_100011215043 [1,1,0,0,0,0|1,0,1]=4 3771 B8R0.9 C#CC(=O)CCC(C)C 1458a_100000211873_100000210312 [1,1,0,0,0,0|0,0,2]=4 3772 B8R0.9 C#CC(=O)CCC(C)O 1458a_100000211873_100012276601 [1,1,0,0,0,0|0,0,2]=4 3773 B8R0.9 C=C(C)CCC(=O)CC 1458a_100000210414_100000730704 [1,1,0,0,0,0|0,0,2]=4 3774 B8R0.9 C=C(C)CCC(=O)CC 1458a_200000688413_100000210202 [1,1,0,0,0,0|0,0,2]=4 3775 B8R0.9 C=C(C)CCC(=O)NC 11a_106832991635_200000688413 [1,1,0,0,0,0|1,0,1]=4 3776 B8R0.9 C=C(C)CCC(=O)NC 1626a_100102657272_200000688413 [1,1,0,0,0,0|1,0,1]=4 3777 B8R0.9 C=C(C)CCC(=O)NC 240690a_100102657272_200000688413 [1,1,0,0,0,0|1,0,1]=4 3778 B8R0.9 C=C(C)CCC(=O)NC 527a_100102657272_200000688413 [1,1,0,0,0,0|1,0,1]=4 3779 B8R0.9 C=CC(=O)CC=C(C)C 1458a_100000185746_100000761012 [1,1,0,0,0,0|0,0,2]=4 3780 B8R0.9 C=CC(=O)CCC(=C)C 1458a_100000185746_100000730704 [1,1,0,0,0,0|0,0,1]=3 3781 B8R0.9 C=CC(=O)CCC(C)C 1458a_100000185746_100000210312 [1,1,0,0,0,0|0,0,0]=2 3782 B8R0.9 C=CC(=O)CCC(C)O 1458a_100000185746_100012276601 [1,1,0,0,0,0|0,0,0]=2 3783 B8R0.9 C=CC(=O)NCC(=C)C 1626a_100000765925_100000185746 [1,1,0,0,0,0|1,0,1]=4 3784 B8R0.9 C=CC(=O)NCC(=C)C 240690a_100000765925_200121576911 [1,1,0,0,0,0|1,0,1]=4 3785 B8R0.9 C=CC(=O)NCC(=O)C 1458a_200011222540_200000210301 [1,1,0,0,0,0|1,0,1]=4 3786 B8R0.9 C=CC(=O)NCC(=O)[13CH3] 1458a_200011222540_200025704644 [1,1,0,0,0,0|1,0,1]=4 3787 B8R0.9 C=CC(=O)NCC(C)C 1626a_100000210953_100000185746 [1,1,0,0,0,0|1,0,0]=3 3788 B8R0.9 C=CC(=O)NCC(C)C 240690a_100000210953_200121576911 [1,1,0,0,0,0|1,0,0]=3 3789 B8R0.9 C=CC(=O)NCC(C)O 240690a_100000210904_200121576911 [1,1,0,0,0,0|1,0,0]=3 3790 B8R0.9 C=CC(=O)NCC(F)F 1626a_100000765723_100000185746 [1,1,0,0,0,0|2,0,0]=4 3791 B8R0.9 C=CC(=O)NCC(F)F 240690a_100000765723_200121576911 [1,1,0,0,0,0|2,0,0]=4 3792 B8R0.9 C=CC(=O)NNC(C)C 22a_100000741168_100000185746 [1,1,0,0,0,0|2,0,0]=4 3793 B8R0.9 CC(C)CCC(=O)CF 1458a_100000181311_100015361967 [1,1,0,0,0,0|1,0,1]=4 3794 B8R0.9 CC(C)CCC(=O)CO 1458a_100000210174_100000210312 [1,1,0,0,0,0|1,0,1]=4 3795 B8R0.9 CC(O)CCC(=O)CO 1458a_100000210174_100012276601 [1,1,0,0,0,0|1,0,1]=4 3796 B8R0.9 CCC(=O)CCC(C)C 1458a_100000181311_100000210202 [1,1,0,0,0,0|0,0,1]=3 3797 B8R0.9 CCC(=O)CCC(C)C 1458a_100000210414_100000210312 [1,1,0,0,0,0|0,0,1]=3 3798 B8R0.9 CCC(=O)CCC(C)O 1458a_100000210414_100012276601 [1,1,0,0,0,0|0,0,1]=3 3799 B8R0.9 CCC(=O)CC[S+](C)C 1458a_100009452791_100000210202 [1,1,0,0,0,0|1,0,1]=4 3800 B8R0.9 CCC(=O)COC(C)C 1458a_100000745533_100000210202 [1,1,0,0,0,0|1,0,1]=4 3801 B8R0.9 CCC(=O)COC(C)C 34a_100000725409_100000210206 [1,1,0,0,0,0|1,0,1]=4 3802 B8R0.9 CCC(=O)CSC(C)C 1458a_100000241585_100000210202 [1,1,0,0,0,0|1,0,1]=4 3803 B8R0.9 CCC(=O)CSC(C)C 62a_100000210206_100000747405 [1,1,0,0,0,0|1,0,1]=4 3804 B8R0.9 CCC(=O)CSC(C)C 62a_100000747405_100000210206 [1,1,0,0,0,0|1,0,1]=4 3805 B8R0.9 CCC(=O)NCC(C)C 11a_100000210953_100000210414 [1,1,0,0,0,0|1,0,1]=4 3806 B8R0.9 CCC(=O)NCC(C)C 1626a_100000210953_100000210414 [1,1,0,0,0,0|1,0,1]=4 3807 B8R0.9 CCC(=O)NCC(C)C 240690a_100000210953_100000210414 [1,1,0,0,0,0|1,0,1]=4 3808 B8R0.9 CCC(=O)NCC(C)C 527a_100000210953_100000210414 [1,1,0,0,0,0|1,0,1]=4 3809 B8R0.9 CCC(=O)NCC(C)O 11a_100000210904_100000210414 [1,1,0,0,0,0|1,0,1]=4 3810 B8R0.9 CCC(=O)NCC(C)O 240690a_100000210904_100000210414 [1,1,0,0,0,0|1,0,1]=4 3811 B8R0.9 CCC(=O)NCC(C)O 527a_100000210904_100000210414 [1,1,0,0,0,0|1,0,1]=4 3812 B8R0.9 CNC(=O)CCC(=O)C 1458a_100011309844_200000210301 [1,1,0,0,0,0|1,0,1]=4 3813 B8R0.9 CNC(=O)CCC(=O)[13CH3] 1458a_100011309844_200025704644 [1,1,0,0,0,0|1,0,1]=4 3814 B8R0.9 CNC(=O)CCC(C)C 11a_106832991635_100000181311 [1,1,0,0,0,0|1,0,0]=3 3815 B8R0.9 CNC(=O)CCC(C)C 1626a_100102657272_100000181311 [1,1,0,0,0,0|1,0,0]=3 3816 B8R0.9 CNC(=O)CCC(C)C 240690a_100102657272_100000181311 [1,1,0,0,0,0|1,0,0]=3 3817 B8R0.9 CNC(=O)CCC(C)C 527a_100102657272_100000181311 [1,1,0,0,0,0|1,0,0]=3 3818 B8R0.9 CNC(=O)CCC(C)O 1626a_100102657272_100000718519 [1,1,0,0,0,0|1,0,0]=3 3819 B8R0.9 CNC(=O)CCN(C)C 11a_106832991635_100000689311 [1,1,0,0,0,0|2,0,0]=4 3820 B8R0.9 CNC(=O)CCN(C)C 2230a_100000750875_200000210301 [1,1,0,0,0,0|2,0,0]=4 3821 B8R0.9 CNC(=O)CCN(C)C 2230a_100102631434_100000737683 [1,1,0,0,0,0|2,0,0]=4 3822 B8R0.9 CNC(=O)CCN(C)C 240690a_100102657272_100000689311 [1,1,0,0,0,0|2,0,0]=4 3823 B8R0.9 CNC(=O)CCN(C)C 269982a_100000750875_200000210301 [1,1,0,0,0,0|2,0,0]=4 3824 B8R0.9 CNC(=O)CCN(C)C 269982a_100102631434_100000737683 [1,1,0,0,0,0|2,0,0]=4 3825 B8R0.9 CNC(=O)CCN(C)C 527a_100102657272_100000689311 [1,1,0,0,0,0|2,0,0]=4 3826 B8R0.9 CNC(=O)CCN(C)[13CH3] 2230a_100000750875_200025704644 [1,1,0,0,0,0|2,0,0]=4 3827 B8R0.9 CNC(=O)CCN(C)[13CH3] 269982a_100000750875_200025704644 [1,1,0,0,0,0|2,0,0]=4 3828 B8R0.9 CNC(=O)CC[S+](C)C 11a_106832991635_100009452791 [1,1,0,0,0,0|2,0,0]=4 3829 B8R0.9 CNC(=O)CC[S+](C)C 1626a_100102657272_100009452791 [1,1,0,0,0,0|2,0,0]=4 3830 B8R0.9 CNC(=O)CC[S+](C)C 240690a_100102657272_100009452791 [1,1,0,0,0,0|2,0,0]=4 3831 B8R0.9 CNC(=O)CNC(C)C 2230a_100000693194_100000210206 [1,1,0,0,0,0|2,0,0]=4 3832 B8R0.9 CNC(=O)CNC(C)C 2230a_100138425928_100000183359 [1,1,0,0,0,0|2,0,0]=4 3833 B8R0.9 CNC(=O)CNC(C)C 34a_100138425928_100000183359 [1,1,0,0,0,0|2,0,0]=4 3834 B8R0.9 CNC(=O)COC(C)C 11a_106832991635_100000745533 [1,1,0,0,0,0|2,0,0]=4 3835 B8R0.9 CNC(=O)COC(C)C 1626a_100102657272_100000745533 [1,1,0,0,0,0|2,0,0]=4 3836 B8R0.9 CNC(=O)COC(C)C 240690a_100102657272_100000745533 [1,1,0,0,0,0|2,0,0]=4 3837 B8R0.9 CNC(=O)COC(C)C 34a_100000212225_100000183359 [1,1,0,0,0,0|2,0,0]=4 3838 B8R0.9 CNC(=O)COC(C)C 34a_100000750040_100000210206 [1,1,0,0,0,0|2,0,0]=4 3839 B8R0.9 CNC(=O)COC(C)C 527a_100102657272_100000745533 [1,1,0,0,0,0|2,0,0]=4 3840 B8R0.9 CNC(=O)CSC(C)C 11a_106832991635_100000241585 [1,1,0,0,0,0|2,0,0]=4 3841 B8R0.9 CNC(=O)CSC(C)C 1626a_100102657272_100000241585 [1,1,0,0,0,0|2,0,0]=4 3842 B8R0.9 CNC(=O)CSC(C)C 240690a_100102657272_100000241585 [1,1,0,0,0,0|2,0,0]=4 3843 B8R0.9 CNC(=O)CSC(C)C 527a_100102657272_100000241585 [1,1,0,0,0,0|2,0,0]=4 3844 B8R0.9 CNC(=O)CSC(C)C 62a_100000183359_100000210206 [1,1,0,0,0,0|2,0,0]=4 3845 B8R0.9 CNC(=O)CSC(C)C 62a_100000210206_100000183359 [1,1,0,0,0,0|2,0,0]=4 3846 B8R0.9 CNC(=O)NCC(C)C 2708a_100000210953_106832991635 [1,1,0,0,0,0|2,0,0]=4 3847 B8R0.9 CNC(=O)NCC(C)C 2708a_100102657272_100000210953 [1,1,0,0,0,0|2,0,0]=4 3848 B8R0.9 CNC(=O)NCC(C)C 273464a_100000210953_100102657272 [1,1,0,0,0,0|2,0,0]=4 3849 B8R0.9 CNC(=O)NCC(C)C 273464a_100102657272_100000210953 [1,1,0,0,0,0|2,0,0]=4 3850 B8R0.9 CNC(=O)NCC(C)C 512a_100000210953_100102657272 [1,1,0,0,0,0|2,0,0]=4 3851 B8R0.9 CNC(=O)NCC(C)C 512a_106832991638_100000210953 [1,1,0,0,0,0|2,0,0]=4 3852 B8R0.9 CNC(=O)NCC(C)O 2708a_100102657272_100000210904 [1,1,0,0,0,0|2,0,0]=4 3853 B8R0.9 CNC(=O)NCC(C)O 273464a_100000210904_100102657272 [1,1,0,0,0,0|2,0,0]=4 3854 B8R0.9 CNC(=O)NCC(C)O 273464a_100102657272_100000210904 [1,1,0,0,0,0|2,0,0]=4 3855 B8R0.9 CNC(=O)NCC(C)O 512a_100000210904_100102657272 [1,1,0,0,0,0|2,0,0]=4 3856 B8R0.9 CNC(=O)NCC(C)O 512a_106832991638_100000210904 [1,1,0,0,0,0|2,0,0]=4 3857 B8R0.9 COC(=O)CCC(=O)C 1458a_100000187943_200000210301 [1,1,0,0,0,0|1,0,1]=4 3858 B8R0.9 COC(=O)CCC(=O)[13CH3] 1458a_100000187943_200025704644 [1,1,0,0,0,0|1,0,1]=4 3859 B8R0.9 COC(=O)CCN(C)C 2230a_100102631434_100000204255 [1,1,0,0,0,0|2,0,0]=4 3860 B8R0.9 COC(=O)CCN(C)C 269982a_100025711912_200000210301 [1,1,0,0,0,0|2,0,0]=4 3861 B8R0.9 COC(=O)CCN(C)C 269982a_100102631434_100000204255 [1,1,0,0,0,0|2,0,0]=4 3862 B8R0.9 COC(=O)CCN(C)[13CH3] 269982a_100025711912_200025704644 [1,1,0,0,0,0|2,0,0]=4 3863 B8R0.9 COC(=O)CNC(C)C 2230a_100138425928_100000747449 [1,1,0,0,0,0|2,0,0]=4 3864 B8R0.9 COC(=O)CNC(C)C 34a_100138425928_100000747449 [1,1,0,0,0,0|2,0,0]=4 3865 B8R0.9 COC(=O)COC(C)C 34a_100000212225_100000747449 [1,1,0,0,0,0|2,0,0]=4 3866 B8R0.9 COC(=O)CSC(C)C 62a_100000210206_100000747449 [1,1,0,0,0,0|2,0,0]=4 3867 B8R0.9 COC(=O)CSC(C)C 62a_100000747449_100000210206 [1,1,0,0,0,0|2,0,0]=4 3868 B8R0.11 C=CC(CCCC)OC 34a_200011215037_200000210301 [1,1,0,0,0,0|0,0,2]=4 3869 B8R0.11 C=CC(CCCC)OC 7a_200011215037_200000210301 [1,1,0,0,0,0|0,0,2]=4 3870 B8R0.11 C=CC(CCCC)O[13CH3] 34a_200011215037_200025704644 [1,1,0,0,0,0|0,0,2]=4 3871 B8R0.11 C=CC(CCCC)O[13CH3] 7a_200011215037_200025704644 [1,1,0,0,0,0|0,0,2]=4 3872 B8R0.19 C#CC(=O)CC(C)CC 1458a_100000211873_100000748023 [1,1,0,0,0,0|0,0,2]=4 3873 B8R0.19 C#CC(=O)CC(O)CC 1458a_100000211873_100011218378 [1,1,0,0,0,0|0,0,2]=4 3874 B8R0.19 C#CC(=O)C[C@@H](C)CC 1458a_100000211873_100009816398 [1,1,0,0,0,0|0,0,2]=4 3875 B8R0.19 C=CC(=O)CC(=O)CC 1458a_100000185746_100000747405 [1,1,0,0,0,0|0,0,1]=3 3876 B8R0.19 C=CC(=O)CC(=O)NC 1458a_100000185746_100000183359 [1,1,0,0,0,0|1,0,1]=4 3877 B8R0.19 C=CC(=O)CC(=O)OC 1458a_100000185746_100000747449 [1,1,0,0,0,0|1,0,1]=4 3878 B8R0.19 C=CC(=O)CC(C)CC 1458a_100000185746_100000748023 [1,1,0,0,0,0|0,0,0]=2 3879 B8R0.19 C=CC(=O)CC(O)CC 1458a_100000185746_100011218378 [1,1,0,0,0,0|0,0,0]=2 3880 B8R0.19 C=CC(=O)C[C@@H](C)CC 1458a_100000185746_100009816398 [1,1,0,0,0,0|0,0,0]=2 3881 B8R0.19 C=CC(=O)C[C@@H](C)CO 1458a_100000185746_100000059175 [1,1,0,0,0,0|1,0,0]=3 3882 B8R0.19 C=CC(=O)NC(C)CC 1626a_100000209981_100000185746 [1,1,0,0,0,0|1,0,0]=3 3883 B8R0.19 C=CC(=O)NC(C)CC 240690a_100000209981_200121576911 [1,1,0,0,0,0|1,0,0]=3 3884 B8R0.19 C=CC(=O)N[C@H](C)CF 1626a_100102880703_100000185746 [1,1,0,0,0,0|2,0,0]=4 3885 B8R0.19 C=CC(=O)N[C@H](C)CF 240690a_100102880703_200121576911 [1,1,0,0,0,0|2,0,0]=4 3886 B8R0.19 C=CC(=O)N[C@H](C)CO 240690a_100000737577_200121576911 [1,1,0,0,0,0|2,0,0]=4 3887 B8R0.19 CCC(=O)CC(=O)CC 1458a_100000210414_100000747405 [1,1,0,0,0,0|0,0,2]=4 3888 B8R0.19 CCC(=O)CC(=O)NC 1458a_100000210414_100000183359 [1,1,0,0,0,0|1,0,1]=4 3889 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000210414_100000747449 [1,1,0,0,0,0|1,0,1]=4 3890 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000211351_100000210202 [1,1,0,0,0,0|1,0,1]=4 3891 B8R0.19 CCC(=O)CC(C)CC 1458a_100000210414_100000748023 [1,1,0,0,0,0|0,0,1]=3 3892 B8R0.19 CCC(=O)CC(C)CC 1458a_100000708755_100000210202 [1,1,0,0,0,0|0,0,1]=3 3893 B8R0.19 CCC(=O)CC(O)CC 1458a_100000210414_100011218378 [1,1,0,0,0,0|0,0,1]=3 3894 B8R0.19 CCC(=O)CC(O)CC 1458a_100011667805_100000210202 [1,1,0,0,0,0|0,0,1]=3 3895 B8R0.19 CCC(=O)CN(C)CC 1458a_100116209913_100000210202 [1,1,0,0,0,0|1,0,1]=4 3896 B8R0.19 CCC(=O)CN(C)CC 269982a_100000225621_100000747405 [1,1,0,0,0,0|1,0,1]=4 3897 B8R0.19 CCC(=O)C[C@@H](C)CC 1458a_100000210414_100009816398 [1,1,0,0,0,0|0,0,1]=3 3898 B8R0.19 CCC(=O)C[C@@H](C)CO 1458a_100000210414_100000059175 [1,1,0,0,0,0|1,0,1]=4 3899 B8R0.19 CCC(=O)NC(C)CC 11a_100000209981_100000210414 [1,1,0,0,0,0|1,0,1]=4 3900 B8R0.19 CCC(=O)NC(C)CC 1626a_100000209981_100000210414 [1,1,0,0,0,0|1,0,1]=4 3901 B8R0.19 CCC(=O)NC(C)CC 240690a_100000209981_100000210414 [1,1,0,0,0,0|1,0,1]=4 3902 B8R0.19 CCC(=O)NC(C)CC 527a_100000209981_100000210414 [1,1,0,0,0,0|1,0,1]=4 3903 B8R0.19 CCC(C)CC(=O)CF 1458a_100000708755_100015361967 [1,1,0,0,0,0|1,0,1]=4 3904 B8R0.19 CCC(C)CC(=O)CO 1458a_100000210174_100000748023 [1,1,0,0,0,0|1,0,1]=4 3905 B8R0.19 CCC(C)CC(=O)NC 11a_106832991635_100000708755 [1,1,0,0,0,0|1,0,0]=3 3906 B8R0.19 CCC(C)CC(=O)NC 1626a_100102657272_100000708755 [1,1,0,0,0,0|1,0,0]=3 3907 B8R0.19 CCC(C)CC(=O)NC 240690a_100102657272_100000708755 [1,1,0,0,0,0|1,0,0]=3 3908 B8R0.19 CCC(C)CC(=O)NC 527a_100102657272_100000708755 [1,1,0,0,0,0|1,0,0]=3 3909 B8R0.19 CCC(C)NC(=O)NC 2708a_100000209981_106832991635 [1,1,0,0,0,0|2,0,0]=4 3910 B8R0.19 CCC(C)NC(=O)NC 2708a_100102657272_100000209981 [1,1,0,0,0,0|2,0,0]=4 3911 B8R0.19 CCC(C)NC(=O)NC 273464a_100000209981_100102657272 [1,1,0,0,0,0|2,0,0]=4 3912 B8R0.19 CCC(C)NC(=O)NC 273464a_100102657272_100000209981 [1,1,0,0,0,0|2,0,0]=4 3913 B8R0.19 CCC(C)NC(=O)NC 512a_100000209981_100102657272 [1,1,0,0,0,0|2,0,0]=4 3914 B8R0.19 CCC(C)NC(=O)NC 512a_106832991638_100000209981 [1,1,0,0,0,0|2,0,0]=4 3915 B8R0.19 CCC(O)CC(=O)CF 1458a_100011667805_100015361967 [1,1,0,0,0,0|1,0,1]=4 3916 B8R0.19 CCC(O)CC(=O)CO 1458a_100000210174_100011218378 [1,1,0,0,0,0|1,0,1]=4 3917 B8R0.19 CCC(O)CC(=O)NC 1626a_100102657272_100011667805 [1,1,0,0,0,0|1,0,0]=3 3918 B8R0.19 CCC(O)CC(=O)NC 240690a_100102657272_100011667805 [1,1,0,0,0,0|1,0,0]=3 3919 B8R0.19 CCN(C)CC(=O)NC 2230a_100000189611_100000210202 [1,1,0,0,0,0|2,0,0]=4 3920 B8R0.19 CCN(C)CC(=O)NC 2230a_100000225621_100000183359 [1,1,0,0,0,0|2,0,0]=4 3921 B8R0.19 CCN(C)CC(=O)NC 240690a_100102657272_100116209913 [1,1,0,0,0,0|2,0,0]=4 3922 B8R0.19 CCN(C)CC(=O)NC 269982a_100000225621_100000183359 [1,1,0,0,0,0|2,0,0]=4 3923 B8R0.19 CCN(C)CC(=O)NC 527a_100102657272_100116209913 [1,1,0,0,0,0|2,0,0]=4 3924 B8R0.19 CCN(C)CC(=O)OC 2230a_100000198492_100000210202 [1,1,0,0,0,0|2,0,0]=4 3925 B8R0.19 CCN(C)CC(=O)OC 2230a_100000225621_100000747449 [1,1,0,0,0,0|2,0,0]=4 3926 B8R0.19 CCN(C)CC(=O)OC 269982a_100000225621_100000747449 [1,1,0,0,0,0|2,0,0]=4 3927 B8R0.19 CC[C@H](C)CC(=O)CO 1458a_100000210174_100009816398 [1,1,0,0,0,0|1,0,1]=4 3928 B8R0.19 CNC(C)CC(=O)OC 2230a_106832991635_100009817358 [1,1,0,0,0,0|2,0,0]=4 3929 B8R0.19 CNC(C)CC(=O)OC 34a_100102657272_100009817358 [1,1,0,0,0,0|2,0,0]=4 3930 B8R0.19 CNC(C)CC(=O)OC 7a_106832991635_100009817358 [1,1,0,0,0,0|2,0,0]=4 3931 B8R0.19 COC(=O)CC(C)OC 34a_100138415774_100009817358 [1,1,0,0,0,0|2,0,0]=4 3932 B8R0.19 COC(=O)CC(C)SC 62a_100009817358_200000210301 [1,1,0,0,0,0|2,0,0]=4 3933 B8R0.19 COC(=O)CC(C)SC 62a_200000210301_100009817358 [1,1,0,0,0,0|2,0,0]=4 3934 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_100009817358_200025704644 [1,1,0,0,0,0|2,0,0]=4 3935 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_200025704644_100009817358 [1,1,0,0,0,0|2,0,0]=4 3936 B8R0.25 CCCCS(=O)(=O)NC 270084a_100102657272_100000212082 [1,1,0,0,0,0|2,0,0]=4 3937 B8R0.25 CCCCS(=O)(=O)NC 274078a_100102657272_100000212082 [1,1,0,0,0,0|2,0,0]=4 3938 B8R0.25 CCCCS(=O)(=O)NC 40a_100102657272_100000054263 [1,1,0,0,0,0|2,0,0]=4 3939 B8R0.5 C#CCC(=O)C=C(C)C 1458a_100000211388_100000184674 [1,1,0,0,0,0|0,0,2]=4 3940 B8R0.5 C#CCC(=O)C=C(C)Cl 1458a_200042562850_100000184674 [1,1,0,0,0,0|0,0,2]=4 3941 B8R0.5 C#CCC(=O)C=C(C)I 1458a_100025716642_100000184674 [1,1,0,0,0,0|0,0,2]=4 3942 B8R0.5 C=C(C)CC(=O)C=CBr 1458a_100016273825_100000748629 [1,1,0,0,0,0|1,0,1]=4 3943 B8R0.5 C=C(C)CC(=O)C=CC 1458a_100000210699_100000748629 [1,1,0,0,0,0|0,0,1]=3 3944 B8R0.5 C=C(C)CC(=O)C=CCl 1458a_200016279998_100000748629 [1,1,0,0,0,0|1,0,1]=4 3945 B8R0.5 C=C(C)CC(=O)C=CI 1458a_100016256311_100000748629 [1,1,0,0,0,0|1,0,1]=4 3946 B8R0.5 C=C(C)CC(=O)CCC 1458a_100000211992_100000748629 [1,1,0,0,0,0|0,0,1]=3 3947 B8R0.5 C=C(C)CC(=O)CCO 1458a_100011216618_100000748629 [1,1,0,0,0,0|1,0,1]=4 3948 B8R0.5 C=C(C)CC(=O)COC 1458a_100000210968_100000748629 [1,1,0,0,0,0|1,0,1]=4 3949 B8R0.5 C=C(C)CC(=O)CSC 1458a_100000184570_100000748629 [1,1,0,0,0,0|1,0,1]=4 3950 B8R0.5 C=C(CCC)CC(=O)C 1458a_100000138376_200000210301 [1,1,0,0,0,0|1,0,1]=4 3951 B8R0.5 C=C(CCC)CC(=O)[13CH3] 1458a_100000138376_200025704644 [1,1,0,0,0,0|1,0,1]=4 3952 B8R0.5 C=C(F)CC(=O)C=CC 1458a_100000210699_100009893438 [1,1,0,0,0,0|0,0,2]=4 3953 B8R0.5 C=C(F)CC(=O)CCC 1458a_100000211992_100009893438 [1,1,0,0,0,0|0,0,2]=4 3954 B8R0.5 C=CCC(=O)C=C(C)C 1458a_100000211388_100000210623 [1,1,0,0,0,0|0,0,2]=4 3955 B8R0.5 C=CCC(=O)C=C(C)Cl 1458a_200042562850_100000210623 [1,1,0,0,0,0|0,0,2]=4 3956 B8R0.5 C=CCC(=O)C=C(C)I 1458a_100025716642_100000210623 [1,1,0,0,0,0|0,0,2]=4 3957 B8R0.5 C=CCC(=O)CC(C)C 1458a_100000210193_100000210624 [1,1,0,0,0,0|0,0,2]=4 3958 B8R0.5 C=CCC(=O)CC(C)C 1458a_100000210554_100000210623 [1,1,0,0,0,0|0,0,2]=4 3959 B8R0.5 C=CCC(=O)CC(C)O 1458a_100000210193_100011218427 [1,1,0,0,0,0|0,0,2]=4 3960 B8R0.5 C=CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210623 [1,1,0,0,0,0|0,0,2]=4 3961 B8R0.5 CC#CC(=O)CC(C)C 1458a_100000763181_100000210624 [1,1,0,0,0,0|0,0,2]=4 3962 B8R0.5 CC#CC(=O)CC(C)O 1458a_100000763181_100011218427 [1,1,0,0,0,0|0,0,2]=4 3963 B8R0.5 CC(=CC(=O)CC#N)C 1458a_100000211388_100011214920 [1,1,0,0,0,0|1,0,1]=4 3964 B8R0.5 CC(=CC(=O)CC#N)Cl 1458a_200042562850_100011214920 [1,1,0,0,0,0|1,0,1]=4 3965 B8R0.5 CC(=CC(=O)CC#N)I 1458a_100025716642_100011214920 [1,1,0,0,0,0|1,0,1]=4 3966 B8R0.5 CC(=CC(=O)CCF)C 1458a_100000211388_100011217306 [1,1,0,0,0,0|1,0,0]=3 3967 B8R0.5 CC(=CC(=O)CCF)Cl 1458a_200042562850_100011217306 [1,1,0,0,0,0|1,0,0]=3 3968 B8R0.5 CC(=CC(=O)CCF)I 1458a_100025716642_100011217306 [1,1,0,0,0,0|1,0,0]=3 3969 B8R0.5 CC(=CC(=O)CCO)C 1458a_100000211388_100000211926 [1,1,0,0,0,0|1,0,0]=3 3970 B8R0.5 CC(=CC(=O)CCO)Cl 1458a_200042562850_100000211926 [1,1,0,0,0,0|1,0,0]=3 3971 B8R0.5 CC(=CC(=O)CCO)I 1458a_100025716642_100000211926 [1,1,0,0,0,0|1,0,0]=3 3972 B8R0.5 CC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000183797 [1,1,0,0,0,0|2,0,0]=4 3973 B8R0.5 CC(C)CC(=O)C=CBr 1458a_100016273825_100000210624 [1,1,0,0,0,0|1,0,0]=3 3974 B8R0.5 CC(C)CC(=O)C=CCl 1458a_200016279998_100000210624 [1,1,0,0,0,0|1,0,0]=3 3975 B8R0.5 CC(C)CC(=O)C=CI 1458a_100016256311_100000210624 [1,1,0,0,0,0|1,0,0]=3 3976 B8R0.5 CC(C)NC(=O)C=CBr 1626a_100138425928_100016273825 [1,1,0,0,0,0|2,0,0]=4 3977 B8R0.5 CC(C)NC(=O)C=CBr 240690a_100138425928_100016273825 [1,1,0,0,0,0|2,0,0]=4 3978 B8R0.5 CC(C)NC(=O)C=CCl 11a_100138425928_200016279998 [1,1,0,0,0,0|2,0,0]=4 3979 B8R0.5 CC(C)NC(=O)C=CCl 1626a_100138425928_200016279998 [1,1,0,0,0,0|2,0,0]=4 3980 B8R0.5 CC(C)NC(=O)C=CCl 240690a_100138425928_200016279998 [1,1,0,0,0,0|2,0,0]=4 3981 B8R0.5 CC(C)NC(=O)C=CI 1626a_100138425928_100016256311 [1,1,0,0,0,0|2,0,0]=4 3982 B8R0.5 CC(O)CC(=O)C=CBr 1458a_100016273825_100011218427 [1,1,0,0,0,0|1,0,0]=3 3983 B8R0.5 CC(O)CC(=O)C=CCl 1458a_200016279998_100011218427 [1,1,0,0,0,0|1,0,0]=3 3984 B8R0.5 CC(O)CC(=O)C=CI 1458a_100016256311_100011218427 [1,1,0,0,0,0|1,0,0]=3 3985 B8R0.5 CC=CC(=O)CC(=O)N 1458a_100000210699_100000187820 [1,1,0,0,0,0|1,0,1]=4 3986 B8R0.5 CC=CC(=O)CC(=O)[O-] 1458a_100000210699_100020667443 [1,1,0,0,0,0|1,0,1]=4 3987 B8R0.5 CC=CC(=O)CC(C)C 1458a_100000210699_100000210624 [1,1,0,0,0,0|0,0,0]=2 3988 B8R0.5 CC=CC(=O)CC(C)O 1458a_100000210699_100011218427 [1,1,0,0,0,0|0,0,0]=2 3989 B8R0.5 CC=CC(=O)CC(F)F 1458a_100000210699_100011934356 [1,1,0,0,0,0|1,0,0]=3 3990 B8R0.5 CC=CC(=O)C[N+](=O)[O-] 1458a_100000210699_100000761209 [1,1,0,0,0,0|2,0,0]=4 3991 B8R0.5 CC=CC(=O)NC(C)C 11a_100138425928_100000210699 [1,1,0,0,0,0|1,0,0]=3 3992 B8R0.5 CC=CC(=O)NC(C)C 1626a_100138425928_100000210699 [1,1,0,0,0,0|1,0,0]=3 3993 B8R0.5 CC=CC(=O)NC(C)C 240690a_100138425928_100000210699 [1,1,0,0,0,0|1,0,0]=3 3994 B8R0.5 CCCC(=CC(=O)C)C 1458a_100020676950_200000210301 [1,1,0,0,0,0|1,0,0]=3 3995 B8R0.5 CCCC(=CC(=O)[13CH3])C 1458a_100020676950_200025704644 [1,1,0,0,0,0|1,0,0]=3 3996 B8R0.5 CCCC(=O)C=C(C)C 1458a_100000211388_100000210303 [1,1,0,0,0,0|0,0,0]=2 3997 B8R0.5 CCCC(=O)C=C(C)Cl 1458a_200042562850_100000210303 [1,1,0,0,0,0|0,0,0]=2 3998 B8R0.5 CCCC(=O)C=C(C)I 1458a_100025716642_100000210303 [1,1,0,0,0,0|0,0,0]=2 3999 B8R0.5 CCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210303 [1,1,0,0,0,0|1,0,0]=3 4000 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [1,1,0,0,0,0|0,0,1]=3 4001 B8R0.5 CCCC(=O)CC(=O)N 1458a_100000211992_100000187820 [1,1,0,0,0,0|1,0,1]=4 4002 B8R0.5 CCCC(=O)CC(=O)N 1458a_100134613110_100000210303 [1,1,0,0,0,0|1,0,1]=4 4003 B8R0.5 CCCC(=O)CC(=O)[O-] 1458a_100000211992_100020667443 [1,1,0,0,0,0|1,0,1]=4 4004 B8R0.5 CCCC(=O)CC(C)C 1458a_100000210554_100000210303 [1,1,0,0,0,0|0,0,2]=4 4005 B8R0.5 CCCC(=O)CC(C)C 1458a_100000211992_100000210624 [1,1,0,0,0,0|0,0,2]=4 4006 B8R0.5 CCCC(=O)CC(C)O 1458a_100000211992_100011218427 [1,1,0,0,0,0|0,0,2]=4 4007 B8R0.5 CCCC(=O)CN(C)C 1458a_100000750896_100000210303 [1,1,0,0,0,0|1,0,1]=4 4008 B8R0.5 CCCC(=O)CN(C)C 2230a_100102631434_100000747444 [1,1,0,0,0,0|1,0,1]=4 4009 B8R0.5 CCCC(=O)CN(C)C 269982a_100102631434_100000747444 [1,1,0,0,0,0|1,0,1]=4 4010 B8R0.5 CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210303 [1,1,0,0,0,0|0,0,2]=4 4011 B8R0.5 CCCC(=O)C[S+](C)C 1458a_200159257847_100000210303 [1,1,0,0,0,0|1,0,1]=4 4012 B8R0.5 CCCC(=O)NC(C)C 11a_100138425928_100000211992 [1,1,0,0,0,0|1,0,1]=4 4013 B8R0.5 CCCC(=O)NC(C)C 1626a_100138425928_100000211992 [1,1,0,0,0,0|1,0,1]=4 4014 B8R0.5 CCCC(=O)NC(C)C 240690a_100138425928_100000211992 [1,1,0,0,0,0|1,0,1]=4 4015 B8R0.5 CCCC(=O)NC(C)C 527a_100138425928_100000211992 [1,1,0,0,0,0|1,0,1]=4 4016 B8R0.5 CCCS(=O)CC(=O)C 1458a_100011387404_200000210301 [1,1,0,0,0,0|1,0,1]=4 4017 B8R0.5 CCCS(=O)CC(=O)[13CH3] 1458a_100011387404_200025704644 [1,1,0,0,0,0|1,0,1]=4 4018 B8R0.5 CCNC(=O)C=C(C)C 11a_100015525214_100000211388 [1,1,0,0,0,0|1,0,0]=3 4019 B8R0.5 CCNC(=O)C=C(C)C 240690a_100015525214_100000211388 [1,1,0,0,0,0|1,0,0]=3 4020 B8R0.5 CCNC(=O)C=C(C)Cl 11a_100015525214_200042562850 [1,1,0,0,0,0|1,0,0]=3 4021 B8R0.5 CCNC(=O)C=C(C)Cl 240690a_100015525214_200042562850 [1,1,0,0,0,0|1,0,0]=3 4022 B8R0.5 CCNC(=O)C=C(C)I 11a_100015525214_100025716642 [1,1,0,0,0,0|1,0,0]=3 4023 B8R0.5 CCNC(=O)C=C(Cl)Cl 240690a_100015525214_100000137448 [1,1,0,0,0,0|2,0,0]=4 4024 B8R0.5 CCNC(=O)CC(=O)C 1458a_100000070787_100000183381 [1,1,0,0,0,0|1,0,1]=4 4025 B8R0.5 CCNC(=O)CC(C)C 11a_100015525214_100000210554 [1,1,0,0,0,0|1,0,1]=4 4026 B8R0.5 CCNC(=O)CC(C)C 240690a_100015525214_100000210554 [1,1,0,0,0,0|1,0,1]=4 4027 B8R0.5 CCNC(=O)CC(C)C 527a_100015525214_100000210554 [1,1,0,0,0,0|1,0,1]=4 4028 B8R0.5 CCNC(=O)C[C@@H](C)O 240690a_100015525214_100011933948 [1,1,0,0,0,0|1,0,1]=4 4029 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000070787_100000188475 [1,1,0,0,0,0|1,0,1]=4 4030 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000243816_200000210301 [1,1,0,0,0,0|1,0,1]=4 4031 B8R0.5 CCOC(=O)CC(=O)[13CH3] 1458a_100000243816_200025704644 [1,1,0,0,0,0|1,0,1]=4 4032 B8R0.5 CNCC(=O)NC(=O)C 7a_106832991635_100000183797 [1,1,0,0,0,0|2,0,0]=4 4033 B8R0.5 CNNC(=O)C=C(C)C 22a_100016993582_100000211388 [1,1,0,0,0,0|2,0,0]=4 4034 B8R0.5 CNNC(=O)C=C(C)Cl 22a_100016993582_200042562850 [1,1,0,0,0,0|2,0,0]=4 4035 B8R0.5 CNNC(=O)CC(C)C 22a_100016993582_100000210554 [1,1,0,0,0,0|2,0,0]=4 4036 B8R0.5 CNNC(=O)C[C@@H](C)O 22a_100016993582_100011933948 [1,1,0,0,0,0|2,0,0]=4 4037 B8R0.5 COCC(=O)CC(C)C 1458a_100000210968_100000210624 [1,1,0,0,0,0|1,0,1]=4 4038 B8R0.5 COCC(=O)CC(C)O 1458a_100000210968_100011218427 [1,1,0,0,0,0|1,0,1]=4 4039 B8R0.5 CSCC(=O)CC(C)C 1458a_100000184570_100000210624 [1,1,0,0,0,0|1,0,1]=4 4040 B8R0.5 CSCC(=O)CC(C)O 1458a_100000184570_100011218427 [1,1,0,0,0,0|1,0,1]=4 4041 B8R0.5 CSCC(=O)NC(=O)C 62a_200000210301_100000183797 [1,1,0,0,0,0|2,0,0]=4 4042 B8R0.5 O=C(C=C(Cl)Cl)CCF 1458a_100000137448_100011217306 [1,1,0,0,0,0|2,0,0]=4 4043 B8R0.5 O=C(C=C(Cl)Cl)CCO 1458a_100000137448_100000211926 [1,1,0,0,0,0|2,0,0]=4 4044 B8R0.5 O=C(C=CBr)CC(F)F 1458a_100016273825_100011934356 [1,1,0,0,0,0|2,0,0]=4 4045 B8R0.5 O=C(C=CCl)CC(F)F 1458a_200016279998_100011934356 [1,1,0,0,0,0|2,0,0]=4 4046 B8R0.5 O=C(C=CI)CC(F)F 1458a_100016256311_100011934356 [1,1,0,0,0,0|2,0,0]=4 4047 B8R0.22 C/C=C/C(CCC)OC 34a_200016264281_200000210301 [1,1,0,0,0,0|0,0,2]=4 4048 B8R0.22 C/C=C/C(CCC)OC 7a_200016264281_200000210301 [1,1,0,0,0,0|0,0,2]=4 4049 B8R0.22 C/C=C/C(CCC)O[13CH3] 34a_200016264281_200025704644 [1,1,0,0,0,0|0,0,2]=4 4050 B8R0.22 C/C=C/C(CCC)O[13CH3] 7a_200016264281_200025704644 [1,1,0,0,0,0|0,0,2]=4 4051 B10R0.6 C#CCCCC(=O)C=C(C)C 1458a_100000211388_100000731252 [0,2,0,0,0,0|0,0,1]=3 4052 B10R0.6 C#CCCCC(=O)C=C(C)Cl 1458a_200042562850_100000731252 [0,2,0,0,0,0|0,0,1]=3 4053 B10R0.6 C#CCCCC(=O)C=C(C)I 1458a_100025716642_100000731252 [0,2,0,0,0,0|0,0,1]=3 4054 B10R0.6 C#CCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000731252 [0,2,0,0,0,0|1,0,1]=4 4055 B10R0.6 C#CCCCC(=O)CC(=C)C 1458a_100000690238_100000748629 [0,2,0,0,0,0|0,0,2]=4 4056 B10R0.6 C#CCCNC(=O)C=C(C)C 11a_100000755551_100000211388 [0,2,0,0,0,0|0,0,2]=4 4057 B10R0.6 C#CCCNC(=O)C=C(C)C 1626a_100000755551_100000211388 [0,2,0,0,0,0|0,0,2]=4 4058 B10R0.6 C#CCCNC(=O)C=C(C)C 240690a_100000755551_100000211388 [0,2,0,0,0,0|0,0,2]=4 4059 B10R0.6 C#CCCNC(=O)C=C(C)Cl 11a_100000755551_200042562850 [0,2,0,0,0,0|0,0,2]=4 4060 B10R0.6 C#CCCNC(=O)C=C(C)Cl 1626a_100000755551_200042562850 [0,2,0,0,0,0|0,0,2]=4 4061 B10R0.6 C#CCCNC(=O)C=C(C)Cl 240690a_100000755551_200042562850 [0,2,0,0,0,0|0,0,2]=4 4062 B10R0.6 C#CCCNC(=O)C=C(C)I 11a_100000755551_100025716642 [0,2,0,0,0,0|0,0,2]=4 4063 B10R0.6 C#CCCNC(=O)C=C(C)I 1626a_100000755551_100025716642 [0,2,0,0,0,0|0,0,2]=4 4064 B10R0.6 C=C(C)CC(=O)C#CCCC 1458a_200011218047_100000748629 [0,2,0,0,0,0|0,0,2]=4 4065 B10R0.6 C=C(C)CC(=O)C/C=C/CC 1458a_100016274230_100000748629 [0,2,0,0,0,0|0,0,2]=4 4066 B10R0.6 C=C(C)CC(=O)C=CCCC 1458a_100000212230_100000748629 [0,2,0,0,0,0|0,0,2]=4 4067 B10R0.6 C=C(C)CC(=O)CCCC#N 1458a_100000075515_100000748629 [0,2,0,0,0,0|0,0,2]=4 4068 B10R0.6 C=C(C)CC(=O)CCCCC 1458a_100000212188_100000748629 [0,2,0,0,0,0|0,0,1]=3 4069 B10R0.6 C=C(C)CC(=O)CCCCO 1458a_100000695505_100000748629 [0,2,0,0,0,0|0,0,1]=3 4070 B10R0.6 C=C(C)CC(=O)CCCOC 1458a_100000741012_100000748629 [0,2,0,0,0,0|0,0,1]=3 4071 B10R0.6 C=C(C)CC(=O)CCCSC 1458a_100000173376_100000748629 [0,2,0,0,0,0|0,0,1]=3 4072 B10R0.6 C=C(C)CC(=O)CCOCC 1458a_100000749530_100000748629 [0,2,0,0,0,0|0,0,1]=3 4073 B10R0.6 C=C(C)CC(=O)CCSCC 1458a_100000230768_100000748629 [0,2,0,0,0,0|0,0,1]=3 4074 B10R0.6 C=C(C)CC(=O)COCCC 1458a_100000745993_100000748629 [0,2,0,0,0,0|0,0,1]=3 4075 B10R0.6 C=C(C)CC(=O)COCCO 1458a_100000708028_100000748629 [0,2,0,0,0,0|1,0,1]=4 4076 B10R0.6 C=C(C)CC(=O)CSCCC 1458a_100000217233_100000748629 [0,2,0,0,0,0|0,0,1]=3 4077 B10R0.6 C=C(F)CC(=O)CCCCC 1458a_100000212188_100009893438 [0,2,0,0,0,0|0,0,2]=4 4078 B10R0.6 C=C(F)CC(=O)CCCCO 1458a_100000695505_100009893438 [0,2,0,0,0,0|0,0,2]=4 4079 B10R0.6 C=C(F)CC(=O)CCCOC 1458a_100000741012_100009893438 [0,2,0,0,0,0|0,0,2]=4 4080 B10R0.6 C=C(F)CC(=O)CCCSC 1458a_100000173376_100009893438 [0,2,0,0,0,0|0,0,2]=4 4081 B10R0.6 C=C(F)CC(=O)CCOCC 1458a_100000749530_100009893438 [0,2,0,0,0,0|0,0,2]=4 4082 B10R0.6 C=C(F)CC(=O)CCSCC 1458a_100000230768_100009893438 [0,2,0,0,0,0|0,0,2]=4 4083 B10R0.6 C=C(F)CC(=O)COCCC 1458a_100000745993_100009893438 [0,2,0,0,0,0|0,0,2]=4 4084 B10R0.6 C=C(F)CC(=O)CSCCC 1458a_100000217233_100009893438 [0,2,0,0,0,0|0,0,2]=4 4085 B10R0.6 C=CCCCC(=O)C=C(C)C 1458a_100000211388_100000757094 [0,2,0,0,0,0|0,0,1]=3 4086 B10R0.6 C=CCCCC(=O)C=C(C)Cl 1458a_200042562850_100000757094 [0,2,0,0,0,0|0,0,1]=3 4087 B10R0.6 C=CCCCC(=O)C=C(C)I 1458a_100025716642_100000757094 [0,2,0,0,0,0|0,0,1]=3 4088 B10R0.6 C=CCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000757094 [0,2,0,0,0,0|1,0,1]=4 4089 B10R0.6 C=CCCCC(=O)CC(=C)C 1458a_100000766728_100000748629 [0,2,0,0,0,0|0,0,2]=4 4090 B10R0.6 C=CCCNC(=O)C=C(C)C 11a_100015191253_100000211388 [0,2,0,0,0,0|0,0,2]=4 4091 B10R0.6 C=CCCNC(=O)C=C(C)C 1626a_100015191253_100000211388 [0,2,0,0,0,0|0,0,2]=4 4092 B10R0.6 C=CCCNC(=O)C=C(C)C 240690a_100015191253_100000211388 [0,2,0,0,0,0|0,0,2]=4 4093 B10R0.6 C=CCCNC(=O)C=C(C)Cl 11a_100015191253_200042562850 [0,2,0,0,0,0|0,0,2]=4 4094 B10R0.6 C=CCCNC(=O)C=C(C)Cl 1626a_100015191253_200042562850 [0,2,0,0,0,0|0,0,2]=4 4095 B10R0.6 C=CCCNC(=O)C=C(C)Cl 240690a_100015191253_200042562850 [0,2,0,0,0,0|0,0,2]=4 4096 B10R0.6 C=CCCNC(=O)C=C(C)I 11a_100015191253_100025716642 [0,2,0,0,0,0|0,0,2]=4 4097 B10R0.6 C=CCCNC(=O)C=C(C)I 1626a_100015191253_100025716642 [0,2,0,0,0,0|0,0,2]=4 4098 B10R0.6 C=COCCC(=O)C=C(C)C 1458a_100000211388_100000039644 [0,2,0,0,0,0|0,0,2]=4 4099 B10R0.6 C=COCCC(=O)C=C(C)Cl 1458a_200042562850_100000039644 [0,2,0,0,0,0|0,0,2]=4 4100 B10R0.6 C=COCCC(=O)C=C(C)I 1458a_100025716642_100000039644 [0,2,0,0,0,0|0,0,2]=4 4101 B10R0.6 CC#CCNC(=O)C=C(C)C 11a_100000685387_100000211388 [0,2,0,0,0,0|0,0,2]=4 4102 B10R0.6 CC#CCNC(=O)C=C(C)C 1626a_100000685387_100000211388 [0,2,0,0,0,0|0,0,2]=4 4103 B10R0.6 CC#CCNC(=O)C=C(C)Cl 11a_100000685387_200042562850 [0,2,0,0,0,0|0,0,2]=4 4104 B10R0.6 CC#CCNC(=O)C=C(C)Cl 1626a_100000685387_200042562850 [0,2,0,0,0,0|0,0,2]=4 4105 B10R0.6 CC#CCNC(=O)C=C(C)I 11a_100000685387_100025716642 [0,2,0,0,0,0|0,0,2]=4 4106 B10R0.6 CC#CCNC(=O)C=C(C)I 1626a_100000685387_100025716642 [0,2,0,0,0,0|0,0,2]=4 4107 B10R0.6 CC(=CC(=O)CC#CCO)C 1458a_100000211388_200000047223 [0,2,0,0,0,0|0,0,2]=4 4108 B10R0.6 CC(=CC(=O)CC#CCO)Cl 1458a_200042562850_200000047223 [0,2,0,0,0,0|0,0,2]=4 4109 B10R0.6 CC(=CC(=O)CC#CCO)I 1458a_100025716642_200000047223 [0,2,0,0,0,0|0,0,2]=4 4110 B10R0.6 CC(=CC(=O)CCCC#N)C 1458a_100000211388_100000211468 [0,2,0,0,0,0|0,0,1]=3 4111 B10R0.6 CC(=CC(=O)CCCC#N)Cl 1458a_200042562850_100000211468 [0,2,0,0,0,0|0,0,1]=3 4112 B10R0.6 CC(=CC(=O)CCCC#N)I 1458a_100025716642_100000211468 [0,2,0,0,0,0|0,0,1]=3 4113 B10R0.6 CC(=CC(=O)CCCCF)C 1458a_100000211388_100000729493 [0,2,0,0,0,0|0,0,0]=2 4114 B10R0.6 CC(=CC(=O)CCCCF)Cl 1458a_200042562850_100000729493 [0,2,0,0,0,0|0,0,0]=2 4115 B10R0.6 CC(=CC(=O)CCCCF)I 1458a_100025716642_100000729493 [0,2,0,0,0,0|0,0,0]=2 4116 B10R0.6 CC(=CC(=O)CCCCO)C 1458a_100000211388_100000210776 [0,2,0,0,0,0|0,0,0]=2 4117 B10R0.6 CC(=CC(=O)CCCCO)Cl 1458a_200042562850_100000210776 [0,2,0,0,0,0|0,0,0]=2 4118 B10R0.6 CC(=CC(=O)CCCCO)I 1458a_100025716642_100000210776 [0,2,0,0,0,0|0,0,0]=2 4119 B10R0.6 CC(=CC(=O)NCCC#N)C 11a_100000720768_100000211388 [0,2,0,0,0,0|1,0,1]=4 4120 B10R0.6 CC(=CC(=O)NCCC#N)C 1626a_100000720768_100000211388 [0,2,0,0,0,0|1,0,1]=4 4121 B10R0.6 CC(=CC(=O)NCCC#N)C 240690a_100000720768_100000211388 [0,2,0,0,0,0|1,0,1]=4 4122 B10R0.6 CC(=CC(=O)NCCC#N)Cl 11a_100000720768_200042562850 [0,2,0,0,0,0|1,0,1]=4 4123 B10R0.6 CC(=CC(=O)NCCC#N)Cl 1626a_100000720768_200042562850 [0,2,0,0,0,0|1,0,1]=4 4124 B10R0.6 CC(=CC(=O)NCCC#N)Cl 240690a_100000720768_200042562850 [0,2,0,0,0,0|1,0,1]=4 4125 B10R0.6 CC(=CC(=O)NCCC#N)I 11a_100000720768_100025716642 [0,2,0,0,0,0|1,0,1]=4 4126 B10R0.6 CC(=CC(=O)NCCC#N)I 1626a_100000720768_100025716642 [0,2,0,0,0,0|1,0,1]=4 4127 B10R0.6 CC(=CC(=O)NCCCF)C 11a_100015189416_100000211388 [0,2,0,0,0,0|1,0,0]=3 4128 B10R0.6 CC(=CC(=O)NCCCF)C 1626a_100015189416_100000211388 [0,2,0,0,0,0|1,0,0]=3 4129 B10R0.6 CC(=CC(=O)NCCCF)C 240690a_100015189416_100000211388 [0,2,0,0,0,0|1,0,0]=3 4130 B10R0.6 CC(=CC(=O)NCCCF)Cl 11a_100015189416_200042562850 [0,2,0,0,0,0|1,0,0]=3 4131 B10R0.6 CC(=CC(=O)NCCCF)Cl 1626a_100015189416_200042562850 [0,2,0,0,0,0|1,0,0]=3 4132 B10R0.6 CC(=CC(=O)NCCCF)Cl 240690a_100015189416_200042562850 [0,2,0,0,0,0|1,0,0]=3 4133 B10R0.6 CC(=CC(=O)NCCCF)I 11a_100015189416_100025716642 [0,2,0,0,0,0|1,0,0]=3 4134 B10R0.6 CC(=CC(=O)NCCCF)I 1626a_100015189416_100025716642 [0,2,0,0,0,0|1,0,0]=3 4135 B10R0.6 CC(=CC(=O)NCCCO)C 240690a_100000182051_100000211388 [0,2,0,0,0,0|1,0,0]=3 4136 B10R0.6 CC(=CC(=O)NCCCO)Cl 240690a_100000182051_200042562850 [0,2,0,0,0,0|1,0,0]=3 4137 B10R0.6 CC(=CC(=O)NNCCO)C 22a_100000210001_100000211388 [0,2,0,0,0,0|2,0,0]=4 4138 B10R0.6 CC(=CC(=O)NNCCO)Cl 22a_100000210001_200042562850 [0,2,0,0,0,0|2,0,0]=4 4139 B10R0.6 CC(=O)CC(=O)OCCS[13CH3] 62a_100000102702_200025704644 [0,2,0,0,0,0|1,0,1]=4 4140 B10R0.6 CC(=O)CC(=O)OCCS[13CH3] 62a_200025704644_100000102702 [0,2,0,0,0,0|1,0,1]=4 4141 B10R0.6 CC(=O)NC(=O)CSCCF 62a_100011217306_100000183797 [0,2,0,0,0,0|2,0,0]=4 4142 B10R0.6 CC(=O)NC(=O)CSCCO 62a_100000211926_100000183797 [0,2,0,0,0,0|2,0,0]=4 4143 B10R0.6 CC(C)CC(=O)CCCCF 1458a_100000210554_100000729493 [0,2,0,0,0,0|0,0,2]=4 4144 B10R0.6 CC(C)CC(=O)CCCCO 1458a_100000210554_100000210776 [0,2,0,0,0,0|0,0,2]=4 4145 B10R0.6 CC(C)CC(=O)CCCCO 1458a_100000695505_100000210624 [0,2,0,0,0,0|0,0,2]=4 4146 B10R0.6 CC(C)NC(=O)CCCCO 1626a_100138425928_100000695505 [0,2,0,0,0,0|1,0,1]=4 4147 B10R0.6 CC(O)CC(=O)CCCCO 1458a_100000695505_100011218427 [0,2,0,0,0,0|0,0,2]=4 4148 B10R0.6 CC/C=C\CC(=O)C=C(C)C 1458a_100000211388_100103147603 [0,2,0,0,0,0|0,0,1]=3 4149 B10R0.6 CC/C=C\CC(=O)C=C(C)Cl 1458a_200042562850_100103147603 [0,2,0,0,0,0|0,0,1]=3 4150 B10R0.6 CC/C=C\CC(=O)C=C(C)I 1458a_100025716642_100103147603 [0,2,0,0,0,0|0,0,1]=3 4151 B10R0.6 CC/C=C\CC(=O)C=C(Cl)Cl 1458a_100000137448_100103147603 [0,2,0,0,0,0|1,0,1]=4 4152 B10R0.6 CCC#CCC(=O)C=C(C)C 1458a_100000211388_100009813939 [0,2,0,0,0,0|0,0,1]=3 4153 B10R0.6 CCC#CCC(=O)C=C(C)Cl 1458a_200042562850_100009813939 [0,2,0,0,0,0|0,0,1]=3 4154 B10R0.6 CCC#CCC(=O)C=C(C)I 1458a_100025716642_100009813939 [0,2,0,0,0,0|0,0,1]=3 4155 B10R0.6 CCC#CCC(=O)C=C(Cl)Cl 1458a_100000137448_100009813939 [0,2,0,0,0,0|1,0,1]=4 4156 B10R0.6 CCCCCC(=O)C=C(C)C 1458a_100000211388_100000210326 [0,2,0,0,0,0|0,0,0]=2 4157 B10R0.6 CCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210326 [0,2,0,0,0,0|0,0,0]=2 4158 B10R0.6 CCCCCC(=O)C=C(C)I 1458a_100025716642_100000210326 [0,2,0,0,0,0|0,0,0]=2 4159 B10R0.6 CCCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210326 [0,2,0,0,0,0|1,0,0]=3 4160 B10R0.6 CCCCCC(=O)CC(=O)C 1458a_100000070787_200012276598 [0,2,0,0,0,0|0,0,1]=3 4161 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100000212188_100000187820 [0,2,0,0,0,0|1,0,1]=4 4162 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100134613110_100000210326 [0,2,0,0,0,0|1,0,1]=4 4163 B10R0.6 CCCCCC(=O)CC(=O)[O-] 1458a_100000212188_100020667443 [0,2,0,0,0,0|1,0,1]=4 4164 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000210554_100000210326 [0,2,0,0,0,0|0,0,2]=4 4165 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000212188_100000210624 [0,2,0,0,0,0|0,0,2]=4 4166 B10R0.6 CCCCCC(=O)CC(C)O 1458a_100000212188_100011218427 [0,2,0,0,0,0|0,0,2]=4 4167 B10R0.6 CCCCCC(=O)CN(C)C 1458a_100000750896_100000210326 [0,2,0,0,0,0|1,0,1]=4 4168 B10R0.6 CCCCCC(=O)CN(C)C 2230a_100102631434_200012276598 [0,2,0,0,0,0|1,0,1]=4 4169 B10R0.6 CCCCCC(=O)CN(C)C 269982a_100102631434_200012276598 [0,2,0,0,0,0|1,0,1]=4 4170 B10R0.6 CCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210326 [0,2,0,0,0,0|0,0,2]=4 4171 B10R0.6 CCCCCC(=O)C[S+](C)C 1458a_200159257847_100000210326 [0,2,0,0,0,0|1,0,1]=4 4172 B10R0.6 CCCCCC(=O)NC(C)C 11a_100138425928_100000212188 [0,2,0,0,0,0|1,0,1]=4 4173 B10R0.6 CCCCCC(=O)NC(C)C 1626a_100138425928_100000212188 [0,2,0,0,0,0|1,0,1]=4 4174 B10R0.6 CCCCCC(=O)NC(C)C 240690a_100138425928_100000212188 [0,2,0,0,0,0|1,0,1]=4 4175 B10R0.6 CCCCCC(=O)NC(C)C 527a_100138425928_100000212188 [0,2,0,0,0,0|1,0,1]=4 4176 B10R0.6 CCCCNC(=O)C=C(C)C 11a_100000102301_100000211388 [0,2,0,0,0,0|0,0,0]=2 4177 B10R0.6 CCCCNC(=O)C=C(C)C 1626a_100000102301_100000211388 [0,2,0,0,0,0|0,0,0]=2 4178 B10R0.6 CCCCNC(=O)C=C(C)C 240690a_100000102301_100000211388 [0,2,0,0,0,0|0,0,0]=2 4179 B10R0.6 CCCCNC(=O)C=C(C)Cl 11a_100000102301_200042562850 [0,2,0,0,0,0|0,0,0]=2 4180 B10R0.6 CCCCNC(=O)C=C(C)Cl 1626a_100000102301_200042562850 [0,2,0,0,0,0|0,0,0]=2 4181 B10R0.6 CCCCNC(=O)C=C(C)Cl 240690a_100000102301_200042562850 [0,2,0,0,0,0|0,0,0]=2 4182 B10R0.6 CCCCNC(=O)C=C(C)I 11a_100000102301_100025716642 [0,2,0,0,0,0|0,0,0]=2 4183 B10R0.6 CCCCNC(=O)C=C(C)I 1626a_100000102301_100025716642 [0,2,0,0,0,0|0,0,0]=2 4184 B10R0.6 CCCCNC(=O)C=C(Cl)Cl 1626a_100000102301_100000137448 [0,2,0,0,0,0|1,0,0]=3 4185 B10R0.6 CCCCNC(=O)C=C(Cl)Cl 240690a_100000102301_100000137448 [0,2,0,0,0,0|1,0,0]=3 4186 B10R0.6 CCCCNC(=O)CC(=O)C 1458a_100000070787_100000182744 [0,2,0,0,0,0|0,0,1]=3 4187 B10R0.6 CCCCNC(=O)CC(=O)N 240690a_100000102301_100134613110 [0,2,0,0,0,0|1,0,1]=4 4188 B10R0.6 CCCCNC(=O)CC(=O)N 527a_100000102301_100134613110 [0,2,0,0,0,0|1,0,1]=4 4189 B10R0.6 CCCCNC(=O)CC(C)C 11a_100000102301_100000210554 [0,2,0,0,0,0|0,0,2]=4 4190 B10R0.6 CCCCNC(=O)CC(C)C 1626a_100000102301_100000210554 [0,2,0,0,0,0|0,0,2]=4 4191 B10R0.6 CCCCNC(=O)CC(C)C 240690a_100000102301_100000210554 [0,2,0,0,0,0|0,0,2]=4 4192 B10R0.6 CCCCNC(=O)CC(C)C 527a_100000102301_100000210554 [0,2,0,0,0,0|0,0,2]=4 4193 B10R0.6 CCCCNC(=O)CN(C)C 11a_100000102301_100000750896 [0,2,0,0,0,0|1,0,1]=4 4194 B10R0.6 CCCCNC(=O)CN(C)C 2230a_100102631434_100000182744 [0,2,0,0,0,0|1,0,1]=4 4195 B10R0.6 CCCCNC(=O)CN(C)C 2230a_200000213093_200000210301 [0,2,0,0,0,0|1,0,1]=4 4196 B10R0.6 CCCCNC(=O)CN(C)C 240690a_100000102301_100000750896 [0,2,0,0,0,0|1,0,1]=4 4197 B10R0.6 CCCCNC(=O)CN(C)C 269982a_100102631434_100000182744 [0,2,0,0,0,0|1,0,1]=4 4198 B10R0.6 CCCCNC(=O)CN(C)C 269982a_200000213093_200000210301 [0,2,0,0,0,0|1,0,1]=4 4199 B10R0.6 CCCCNC(=O)CN(C)C 527a_100000102301_100000750896 [0,2,0,0,0,0|1,0,1]=4 4200 B10R0.6 CCCCNC(=O)CN(C)[13CH3] 2230a_200000213093_200025704644 [0,2,0,0,0,0|1,0,1]=4 4201 B10R0.6 CCCCNC(=O)CN(C)[13CH3] 269982a_200000213093_200025704644 [0,2,0,0,0,0|1,0,1]=4 4202 B10R0.6 CCCCNC(=O)C[C@@H](C)O 240690a_100000102301_100011933948 [0,2,0,0,0,0|0,0,2]=4 4203 B10R0.6 CCCCNC(=O)C[S+](C)C 11a_100000102301_200159257847 [0,2,0,0,0,0|1,0,1]=4 4204 B10R0.6 CCCCNC(=O)C[S+](C)C 1626a_100000102301_200159257847 [0,2,0,0,0,0|1,0,1]=4 4205 B10R0.6 CCCCNC(=O)C[S+](C)C 240690a_100000102301_200159257847 [0,2,0,0,0,0|1,0,1]=4 4206 B10R0.6 CCCCNC(=O)C[S+](C)C 527a_100000102301_200159257847 [0,2,0,0,0,0|1,0,1]=4 4207 B10R0.6 CCCCNC(=O)NC(C)C 2708a_100000102301_100138425928 [0,2,0,0,0,0|1,0,1]=4 4208 B10R0.6 CCCCNC(=O)NC(C)C 2708a_100138425928_100000102301 [0,2,0,0,0,0|1,0,1]=4 4209 B10R0.6 CCCCNC(=O)NC(C)C 273464a_100138425928_100000102301 [0,2,0,0,0,0|1,0,1]=4 4210 B10R0.6 CCCCNC(=O)NC(C)C 512a_100000102301_100138425928 [0,2,0,0,0,0|1,0,1]=4 4211 B10R0.6 CCCCNC(=O)NC(C)C 512a_100138425928_100000102301 [0,2,0,0,0,0|1,0,1]=4 4212 B10R0.6 CCCCOC(=O)CC(=O)C 1458a_100000070787_100000211628 [0,2,0,0,0,0|0,0,1]=3 4213 B10R0.6 CCCCOC(=O)CN(C)C 2230a_100102631434_100000211628 [0,2,0,0,0,0|1,0,1]=4 4214 B10R0.6 CCCCOC(=O)CN(C)C 269982a_100102631434_100000211628 [0,2,0,0,0,0|1,0,1]=4 4215 B10R0.6 CCCCOC(C)C=C(C)C 34a_100000717055_100000210210 [0,2,0,0,0,0|1,0,1]=4 4216 B10R0.6 CCCNCC(=O)NC(C)C 2230a_100000168517_100000210303 [0,2,0,0,0,0|1,0,1]=4 4217 B10R0.6 CCCNNC(=O)C=C(C)C 22a_100000740057_100000211388 [0,2,0,0,0,0|1,0,0]=3 4218 B10R0.6 CCCNNC(=O)C=C(C)Cl 22a_100000740057_200042562850 [0,2,0,0,0,0|1,0,0]=3 4219 B10R0.6 CCCOCC(=O)CC(=O)N 1458a_100000745993_100000187820 [0,2,0,0,0,0|1,0,1]=4 4220 B10R0.6 CCCOCC(=O)CC(=O)[O-] 1458a_100000745993_100020667443 [0,2,0,0,0,0|1,0,1]=4 4221 B10R0.6 CCCOCC(=O)CC(C)C 1458a_100000745993_100000210624 [0,2,0,0,0,0|0,0,2]=4 4222 B10R0.6 CCCOCC(=O)CC(C)O 1458a_100000745993_100011218427 [0,2,0,0,0,0|0,0,2]=4 4223 B10R0.6 CCCOCC(=O)NC(C)C 11a_100138425928_100000745993 [0,2,0,0,0,0|1,0,1]=4 4224 B10R0.6 CCCOCC(=O)NC(C)C 1626a_100138425928_100000745993 [0,2,0,0,0,0|1,0,1]=4 4225 B10R0.6 CCCOCC(=O)NC(C)C 240690a_100138425928_100000745993 [0,2,0,0,0,0|1,0,1]=4 4226 B10R0.6 CCCOCC(=O)NC(C)C 34a_100000210258_100000183996 [0,2,0,0,0,0|1,0,1]=4 4227 B10R0.6 CCCOCC(=O)NC(C)C 527a_100138425928_100000745993 [0,2,0,0,0,0|1,0,1]=4 4228 B10R0.6 CCCOCC(=O)OC(C)C 34a_100000210258_100011215430 [0,2,0,0,0,0|1,0,1]=4 4229 B10R0.6 CCCSCC(=O)CC(=O)N 1458a_100000217233_100000187820 [0,2,0,0,0,0|1,0,1]=4 4230 B10R0.6 CCCSCC(=O)CC(=O)[O-] 1458a_100000217233_100020667443 [0,2,0,0,0,0|1,0,1]=4 4231 B10R0.6 CCCSCC(=O)CC(C)C 1458a_100000217233_100000210624 [0,2,0,0,0,0|0,0,2]=4 4232 B10R0.6 CCCSCC(=O)CC(C)O 1458a_100000217233_100011218427 [0,2,0,0,0,0|0,0,2]=4 4233 B10R0.6 CCCSCC(=O)NC(=O)C 62a_100000210303_100000183797 [0,2,0,0,0,0|1,0,0]=3 4234 B10R0.6 CCCSCC(=O)NC(=O)N 62a_100000210303_100000182717 [0,2,0,0,0,0|2,0,0]=4 4235 B10R0.6 CCCSCC(=O)NC(C)C 11a_100138425928_100000217233 [0,2,0,0,0,0|1,0,1]=4 4236 B10R0.6 CCCSCC(=O)NC(C)C 1626a_100138425928_100000217233 [0,2,0,0,0,0|1,0,1]=4 4237 B10R0.6 CCCSCC(=O)NC(C)C 240690a_100138425928_100000217233 [0,2,0,0,0,0|1,0,1]=4 4238 B10R0.6 CCCSCC(=O)NC(C)C 527a_100138425928_100000217233 [0,2,0,0,0,0|1,0,1]=4 4239 B10R0.6 CCCSCC(=O)NC(C)C 62a_100000183996_100000210303 [0,2,0,0,0,0|1,0,1]=4 4240 B10R0.6 CCCSCC(=O)NC(C)C 62a_100000210303_100000183996 [0,2,0,0,0,0|1,0,1]=4 4241 B10R0.6 CCCSCC(=O)OC(C)C 62a_100000210303_100011215430 [0,2,0,0,0,0|1,0,1]=4 4242 B10R0.6 CCCSCC(=O)OC(C)C 62a_100011215430_100000210303 [0,2,0,0,0,0|1,0,1]=4 4243 B10R0.6 CCNCCC(=O)NC(=O)N 2230a_100015525214_100000237605 [0,2,0,0,0,0|2,0,0]=4 4244 B10R0.6 CCNCCC(=O)NC(C)C 2230a_100015525214_100000737564 [0,2,0,0,0,0|1,0,1]=4 4245 B10R0.6 CCNCCC(=O)OC(C)C 2230a_100015525214_100000760027 [0,2,0,0,0,0|1,0,1]=4 4246 B10R0.6 CCOCCC(=O)C=C(C)C 1458a_100000211388_100011215890 [0,2,0,0,0,0|0,0,0]=2 4247 B10R0.6 CCOCCC(=O)C=C(C)Cl 1458a_200042562850_100011215890 [0,2,0,0,0,0|0,0,0]=2 4248 B10R0.6 CCOCCC(=O)C=C(C)I 1458a_100025716642_100011215890 [0,2,0,0,0,0|0,0,0]=2 4249 B10R0.6 CCOCCC(=O)C=C(Cl)Cl 1458a_100000137448_100011215890 [0,2,0,0,0,0|1,0,0]=3 4250 B10R0.6 CCOCCC(=O)CC(=O)N 1458a_100000749530_100000187820 [0,2,0,0,0,0|1,0,1]=4 4251 B10R0.6 CCOCCC(=O)CC(=O)N 1458a_100134613110_100011215890 [0,2,0,0,0,0|1,0,1]=4 4252 B10R0.6 CCOCCC(=O)CC(=O)[O-] 1458a_100000749530_100020667443 [0,2,0,0,0,0|1,0,1]=4 4253 B10R0.6 CCOCCC(=O)CC(C)C 1458a_100000210554_100011215890 [0,2,0,0,0,0|0,0,2]=4 4254 B10R0.6 CCOCCC(=O)CC(C)C 1458a_100000749530_100000210624 [0,2,0,0,0,0|0,0,2]=4 4255 B10R0.6 CCOCCC(=O)CC(C)O 1458a_100000749530_100011218427 [0,2,0,0,0,0|0,0,2]=4 4256 B10R0.6 CCOCCC(=O)CN(C)C 1458a_100000750896_100011215890 [0,2,0,0,0,0|1,0,1]=4 4257 B10R0.6 CCOCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215890 [0,2,0,0,0,0|0,0,2]=4 4258 B10R0.6 CCOCCC(=O)C[S+](C)C 1458a_200159257847_100011215890 [0,2,0,0,0,0|1,0,1]=4 4259 B10R0.6 CCOCCC(=O)NC(C)C 11a_100138425928_100000749530 [0,2,0,0,0,0|1,0,1]=4 4260 B10R0.6 CCOCCC(=O)NC(C)C 1626a_100138425928_100000749530 [0,2,0,0,0,0|1,0,1]=4 4261 B10R0.6 CCOCCC(=O)NC(C)C 240690a_100138425928_100000749530 [0,2,0,0,0,0|1,0,1]=4 4262 B10R0.6 CCOCCC(=O)NC(C)C 527a_100138425928_100000749530 [0,2,0,0,0,0|1,0,1]=4 4263 B10R0.6 CCSCCC(=O)C=C(C)C 1458a_100000211388_100000757381 [0,2,0,0,0,0|0,0,0]=2 4264 B10R0.6 CCSCCC(=O)C=C(C)Cl 1458a_200042562850_100000757381 [0,2,0,0,0,0|0,0,0]=2 4265 B10R0.6 CCSCCC(=O)C=C(C)I 1458a_100025716642_100000757381 [0,2,0,0,0,0|0,0,0]=2 4266 B10R0.6 CCSCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000757381 [0,2,0,0,0,0|1,0,0]=3 4267 B10R0.6 CCSCCC(=O)CC(=O)N 1458a_100000230768_100000187820 [0,2,0,0,0,0|1,0,1]=4 4268 B10R0.6 CCSCCC(=O)CC(=O)N 1458a_100134613110_100000757381 [0,2,0,0,0,0|1,0,1]=4 4269 B10R0.6 CCSCCC(=O)CC(=O)[O-] 1458a_100000230768_100020667443 [0,2,0,0,0,0|1,0,1]=4 4270 B10R0.6 CCSCCC(=O)CC(C)C 1458a_100000210554_100000757381 [0,2,0,0,0,0|0,0,2]=4 4271 B10R0.6 CCSCCC(=O)CC(C)C 1458a_100000230768_100000210624 [0,2,0,0,0,0|0,0,2]=4 4272 B10R0.6 CCSCCC(=O)CC(C)O 1458a_100000230768_100011218427 [0,2,0,0,0,0|0,0,2]=4 4273 B10R0.6 CCSCCC(=O)CN(C)C 1458a_100000750896_100000757381 [0,2,0,0,0,0|1,0,1]=4 4274 B10R0.6 CCSCCC(=O)C[C@@H](C)O 1458a_100011933948_100000757381 [0,2,0,0,0,0|0,0,2]=4 4275 B10R0.6 CCSCCC(=O)C[S+](C)C 1458a_200159257847_100000757381 [0,2,0,0,0,0|1,0,1]=4 4276 B10R0.6 CCSCCC(=O)NC(=O)N 62a_100000210202_100000237605 [0,2,0,0,0,0|2,0,0]=4 4277 B10R0.6 CCSCCC(=O)NC(C)C 11a_100138425928_100000230768 [0,2,0,0,0,0|1,0,1]=4 4278 B10R0.6 CCSCCC(=O)NC(C)C 1626a_100138425928_100000230768 [0,2,0,0,0,0|1,0,1]=4 4279 B10R0.6 CCSCCC(=O)NC(C)C 240690a_100138425928_100000230768 [0,2,0,0,0,0|1,0,1]=4 4280 B10R0.6 CCSCCC(=O)NC(C)C 527a_100138425928_100000230768 [0,2,0,0,0,0|1,0,1]=4 4281 B10R0.6 CCSCCC(=O)NC(C)C 62a_100000210202_100000737564 [0,2,0,0,0,0|1,0,1]=4 4282 B10R0.6 CCSCCC(=O)NC(C)C 62a_100000737564_100000210202 [0,2,0,0,0,0|1,0,1]=4 4283 B10R0.6 CCSCCC(=O)OC(C)C 62a_100000210202_100000760027 [0,2,0,0,0,0|1,0,1]=4 4284 B10R0.6 CCSCCC(=O)OC(C)C 62a_100000760027_100000210202 [0,2,0,0,0,0|1,0,1]=4 4285 B10R0.6 CN(C)CC(=O)CCCCF 1458a_100000750896_100000729493 [0,2,0,0,0,0|1,0,1]=4 4286 B10R0.6 CN(C)CC(=O)CCCCO 1458a_100000750896_100000210776 [0,2,0,0,0,0|1,0,1]=4 4287 B10R0.6 CNCCOC(=O)CC(=O)C 34a_100102657272_100000102702 [0,2,0,0,0,0|1,0,1]=4 4288 B10R0.6 COCCCC(=O)C=C(C)C 1458a_100000211388_100000740836 [0,2,0,0,0,0|0,0,0]=2 4289 B10R0.6 COCCCC(=O)C=C(C)Cl 1458a_200042562850_100000740836 [0,2,0,0,0,0|0,0,0]=2 4290 B10R0.6 COCCCC(=O)C=C(C)I 1458a_100025716642_100000740836 [0,2,0,0,0,0|0,0,0]=2 4291 B10R0.6 COCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000740836 [0,2,0,0,0,0|1,0,0]=3 4292 B10R0.6 COCCCC(=O)CC(=O)N 1458a_100000741012_100000187820 [0,2,0,0,0,0|1,0,1]=4 4293 B10R0.6 COCCCC(=O)CC(=O)N 1458a_100134613110_100000740836 [0,2,0,0,0,0|1,0,1]=4 4294 B10R0.6 COCCCC(=O)CC(=O)[O-] 1458a_100000741012_100020667443 [0,2,0,0,0,0|1,0,1]=4 4295 B10R0.6 COCCCC(=O)CC(C)C 1458a_100000210554_100000740836 [0,2,0,0,0,0|0,0,2]=4 4296 B10R0.6 COCCCC(=O)CC(C)C 1458a_100000741012_100000210624 [0,2,0,0,0,0|0,0,2]=4 4297 B10R0.6 COCCCC(=O)CC(C)O 1458a_100000741012_100011218427 [0,2,0,0,0,0|0,0,2]=4 4298 B10R0.6 COCCCC(=O)CN(C)C 1458a_100000750896_100000740836 [0,2,0,0,0,0|1,0,1]=4 4299 B10R0.6 COCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000740836 [0,2,0,0,0,0|0,0,2]=4 4300 B10R0.6 COCCCC(=O)C[S+](C)C 1458a_200159257847_100000740836 [0,2,0,0,0,0|1,0,1]=4 4301 B10R0.6 COCCCC(=O)NC(C)C 11a_100138425928_100000741012 [0,2,0,0,0,0|1,0,1]=4 4302 B10R0.6 COCCCC(=O)NC(C)C 1626a_100138425928_100000741012 [0,2,0,0,0,0|1,0,1]=4 4303 B10R0.6 COCCCC(=O)NC(C)C 240690a_100138425928_100000741012 [0,2,0,0,0,0|1,0,1]=4 4304 B10R0.6 COCCCC(=O)NC(C)C 527a_100138425928_100000741012 [0,2,0,0,0,0|1,0,1]=4 4305 B10R0.6 COCCNC(=O)C=C(C)C 1626a_100000209980_100000211388 [0,2,0,0,0,0|1,0,0]=3 4306 B10R0.6 COCCNC(=O)C=C(C)C 240690a_100000209980_100000211388 [0,2,0,0,0,0|1,0,0]=3 4307 B10R0.6 COCCNC(=O)C=C(C)Cl 1626a_100000209980_200042562850 [0,2,0,0,0,0|1,0,0]=3 4308 B10R0.6 COCCNC(=O)C=C(C)Cl 240690a_100000209980_200042562850 [0,2,0,0,0,0|1,0,0]=3 4309 B10R0.6 COCCNC(=O)C=C(C)I 1626a_100000209980_100025716642 [0,2,0,0,0,0|1,0,0]=3 4310 B10R0.6 COCCNC(=O)C=C(Cl)Cl 1626a_100000209980_100000137448 [0,2,0,0,0,0|2,0,0]=4 4311 B10R0.6 COCCNC(=O)C=C(Cl)Cl 240690a_100000209980_100000137448 [0,2,0,0,0,0|2,0,0]=4 4312 B10R0.6 COCCNC(=O)CC(=O)C 1458a_100000070787_100000183275 [0,2,0,0,0,0|1,0,1]=4 4313 B10R0.6 COCCOC(=O)CC(=O)C 1458a_100000070787_200000040189 [0,2,0,0,0,0|1,0,1]=4 4314 B10R0.6 COCCOC(=O)CC(=O)C 34a_100138415774_100000102702 [0,2,0,0,0,0|1,0,1]=4 4315 B10R0.6 COCSCC(=O)NC(=O)C 62a_100000766300_100000183797 [0,2,0,0,0,0|2,0,0]=4 4316 B10R0.6 CSCCCC(=O)CC(=O)N 1458a_100000173376_100000187820 [0,2,0,0,0,0|1,0,1]=4 4317 B10R0.6 CSCCCC(=O)CC(=O)[O-] 1458a_100000173376_100020667443 [0,2,0,0,0,0|1,0,1]=4 4318 B10R0.6 CSCCCC(=O)CC(C)C 1458a_100000173376_100000210624 [0,2,0,0,0,0|0,0,2]=4 4319 B10R0.6 CSCCCC(=O)CC(C)O 1458a_100000173376_100011218427 [0,2,0,0,0,0|0,0,2]=4 4320 B10R0.6 CSCCCC(=O)NC(C)C 11a_100138425928_100000173376 [0,2,0,0,0,0|1,0,1]=4 4321 B10R0.6 CSCCCC(=O)NC(C)C 1626a_100138425928_100000173376 [0,2,0,0,0,0|1,0,1]=4 4322 B10R0.6 CSCCCC(=O)NC(C)C 240690a_100138425928_100000173376 [0,2,0,0,0,0|1,0,1]=4 4323 B10R0.6 CSCCCC(=O)NC(C)C 527a_100138425928_100000173376 [0,2,0,0,0,0|1,0,1]=4 4324 B10R0.6 CSCCNC(=O)C=C(C)C 11a_100020590264_100000211388 [0,2,0,0,0,0|1,0,0]=3 4325 B10R0.6 CSCCNC(=O)C=C(C)C 1626a_100020590264_100000211388 [0,2,0,0,0,0|1,0,0]=3 4326 B10R0.6 CSCCNC(=O)C=C(C)C 240690a_100020590264_100000211388 [0,2,0,0,0,0|1,0,0]=3 4327 B10R0.6 CSCCNC(=O)C=C(C)Cl 11a_100020590264_200042562850 [0,2,0,0,0,0|1,0,0]=3 4328 B10R0.6 CSCCNC(=O)C=C(C)Cl 1626a_100020590264_200042562850 [0,2,0,0,0,0|1,0,0]=3 4329 B10R0.6 CSCCNC(=O)C=C(C)Cl 240690a_100020590264_200042562850 [0,2,0,0,0,0|1,0,0]=3 4330 B10R0.6 CSCCNC(=O)C=C(C)I 11a_100020590264_100025716642 [0,2,0,0,0,0|1,0,0]=3 4331 B10R0.6 CSCCNC(=O)C=C(C)I 1626a_100020590264_100025716642 [0,2,0,0,0,0|1,0,0]=3 4332 B10R0.6 CSCCNC(=O)C=C(Cl)Cl 1626a_100020590264_100000137448 [0,2,0,0,0,0|2,0,0]=4 4333 B10R0.6 CSCCNC(=O)C=C(Cl)Cl 240690a_100020590264_100000137448 [0,2,0,0,0,0|2,0,0]=4 4334 B10R0.6 CSCCOC(=O)CC(=O)C 62a_100000102702_200000210301 [0,2,0,0,0,0|1,0,1]=4 4335 B10R0.6 CSCCOC(=O)CC(=O)C 62a_200000210301_100000102702 [0,2,0,0,0,0|1,0,1]=4 4336 B10R0.6 CSCSCC(=O)NC(=O)C 62a_100011218213_100000183797 [0,2,0,0,0,0|2,0,0]=4 4337 B10R0.6 C[C@@H](O)CC(=O)CCCCF 1458a_100011933948_100000729493 [0,2,0,0,0,0|0,0,2]=4 4338 B10R0.6 C[C@@H](O)CC(=O)CCCCO 1458a_100011933948_100000210776 [0,2,0,0,0,0|0,0,2]=4 4339 B10R0.6 C[S+](C)CC(=O)CCCCF 1458a_200159257847_100000729493 [0,2,0,0,0,0|1,0,1]=4 4340 B10R0.6 C[S+](C)CC(=O)CCCCO 1458a_200159257847_100000210776 [0,2,0,0,0,0|1,0,1]=4 4341 B10R0.6 N#CCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000211468 [0,2,0,0,0,0|1,0,1]=4 4342 B10R0.6 NC(=O)CC(=O)CCCCF 1458a_100134613110_100000729493 [0,2,0,0,0,0|1,0,1]=4 4343 B10R0.6 NC(=O)CC(=O)CCCCO 1458a_100000695505_100000187820 [0,2,0,0,0,0|1,0,1]=4 4344 B10R0.6 NC(=O)CC(=O)CCCCO 1458a_100134613110_100000210776 [0,2,0,0,0,0|1,0,1]=4 4345 B10R0.6 O=C(C=C(Cl)Cl)CCCCF 1458a_100000137448_100000729493 [0,2,0,0,0,0|1,0,0]=3 4346 B10R0.6 O=C(C=C(Cl)Cl)CCCCO 1458a_100000137448_100000210776 [0,2,0,0,0,0|1,0,0]=3 4347 B10R0.6 O=C(C=C(Cl)Cl)NCCCF 1626a_100015189416_100000137448 [0,2,0,0,0,0|2,0,0]=4 4348 B10R0.6 O=C(C=C(Cl)Cl)NCCCF 240690a_100015189416_100000137448 [0,2,0,0,0,0|2,0,0]=4 4349 B10R0.6 O=C(C=C(Cl)Cl)NCCCO 240690a_100000182051_100000137448 [0,2,0,0,0,0|2,0,0]=4 4350 B10R0.6 O=C([O-])CC(=O)CCCCO 1458a_100000695505_100020667443 [0,2,0,0,0,0|1,0,1]=4 4351 B10R0.18 C#CC(C)NC(=O)CCCC 11a_100000707721_100000210183 [0,2,0,0,0,0|1,0,1]=4 4352 B10R0.18 C#CC(C)NC(=O)CCCC 1626a_100000707721_100000210183 [0,2,0,0,0,0|1,0,1]=4 4353 B10R0.18 C#CC(C)NC(=O)CCCC 240690a_100000707721_100000210183 [0,2,0,0,0,0|1,0,1]=4 4354 B10R0.18 C#CC(C)NC(=O)CCCC 527a_100000707721_100000210183 [0,2,0,0,0,0|1,0,1]=4 4355 B10R0.18 C#CCCC(=O)C=C(C)CC 1458a_100020758463_100000753159 [0,2,0,0,0,0|0,0,2]=4 4356 B10R0.18 C/C=C/CC(=O)C=C(C)CC 1458a_100020758463_100102629194 [0,2,0,0,0,0|0,0,2]=4 4357 B10R0.18 C/C=C/CC(=O)CC(=O)OC 1458a_100000211351_100102629194 [0,2,0,0,0,0|1,0,1]=4 4358 B10R0.18 C/C=C/CC(=O)CC(C)CC 1458a_100000708755_100102629194 [0,2,0,0,0,0|0,0,0]=2 4359 B10R0.18 C/C=C/CC(=O)CC(O)CC 1458a_100011667805_100102629194 [0,2,0,0,0,0|0,0,0]=2 4360 B10R0.18 C/C=C/CC(=O)CN(C)CC 1458a_100116209913_100102629194 [0,2,0,0,0,0|1,0,0]=3 4361 B10R0.18 C/C=C/CN(C)CC(C)CC 269982a_100000753921_100102629194 [0,2,0,0,0,0|2,0,0]=4 4362 B10R0.18 C=C(C#N)CC(=O)CCCC 1458a_100000210183_100000694840 [0,2,0,0,0,0|0,0,2]=4 4363 B10R0.18 C=CC(=O)CC(=O)NCCC 1458a_100000185746_100000183358 [0,2,0,0,0,0|1,0,1]=4 4364 B10R0.18 C=CC(=O)CC(=O)OCCC 1458a_100000185746_200011215008 [0,2,0,0,0,0|1,0,1]=4 4365 B10R0.18 C=CC(C)CC(=O)C/C=C/C 1458a_100011934298_100102629194 [0,2,0,0,0,0|0,0,2]=4 4366 B10R0.18 C=CC(C)CC(=O)CC=CC 1458a_100011934298_100000070051 [0,2,0,0,0,0|0,0,2]=4 4367 B10R0.18 C=CC(C)CC(=O)CCCC 1458a_100011934298_100000210211 [0,2,0,0,0,0|0,0,2]=4 4368 B10R0.18 C=CC=CC(=O)CC(=O)CC 1458a_100016291481_100000747405 [0,2,0,0,0,0|0,0,2]=4 4369 B10R0.18 C=CC=CC(=O)CC(C)CC 1458a_100016291481_100000748023 [0,2,0,0,0,0|0,0,1]=3 4370 B10R0.18 C=CC=CC(=O)CC(O)CC 1458a_100016291481_100011218378 [0,2,0,0,0,0|0,0,1]=3 4371 B10R0.18 C=CC=CC(=O)C[C@@H](C)CC 1458a_100016291481_100009816398 [0,2,0,0,0,0|0,0,1]=3 4372 B10R0.18 C=CC=CC(=O)C[C@@H](C)CO 1458a_100016291481_100000059175 [0,2,0,0,0,0|1,0,1]=4 4373 B10R0.18 C=CC=CC(=O)NC(C)CC 1626a_100000209981_100016291481 [0,2,0,0,0,0|1,0,1]=4 4374 B10R0.18 C=CCCC(=O)C=C(C)CC 1458a_100020758463_100000754431 [0,2,0,0,0,0|0,0,2]=4 4375 B10R0.18 C=CCCC(=O)CC(C)CC 1458a_100000708755_100000754431 [0,2,0,0,0,0|0,0,2]=4 4376 B10R0.18 C=CCCC(=O)CC(C)CC 1458a_100000749702_100000748023 [0,2,0,0,0,0|0,0,2]=4 4377 B10R0.18 C=CCCC(=O)CC(O)CC 1458a_100000749702_100011218378 [0,2,0,0,0,0|0,0,2]=4 4378 B10R0.18 C=CCCC(=O)CC(O)CC 1458a_100011667805_100000754431 [0,2,0,0,0,0|0,0,2]=4 4379 B10R0.18 C=CCCC(=O)C[C@@H](C)CC 1458a_100000749702_100009816398 [0,2,0,0,0,0|0,0,2]=4 4380 B10R0.18 C=CCNC(=O)CC(C)CC 1626a_100020586998_100000708755 [0,2,0,0,0,0|0,0,2]=4 4381 B10R0.18 C=CCNC(=O)CC(C)CC 240690a_100020586998_100000708755 [0,2,0,0,0,0|0,0,2]=4 4382 B10R0.18 C=CCNC(=O)CC(C)CC 527a_100020586998_100000708755 [0,2,0,0,0,0|0,0,2]=4 4383 B10R0.18 C=CCNC(=O)CC(O)CC 1626a_100020586998_100011667805 [0,2,0,0,0,0|0,0,2]=4 4384 B10R0.18 C=CCNC(=O)CC(O)CC 240690a_100020586998_100011667805 [0,2,0,0,0,0|0,0,2]=4 4385 B10R0.18 CC#CCC(=O)C=C(C)CC 1458a_100020758463_100000748600 [0,2,0,0,0,0|0,0,2]=4 4386 B10R0.18 CC#CCC(=O)CC(C)CC 1458a_100000708755_100000748600 [0,2,0,0,0,0|0,0,2]=4 4387 B10R0.18 CC#CCC(=O)CC(O)CC 1458a_100011667805_100000748600 [0,2,0,0,0,0|0,0,2]=4 4388 B10R0.18 CC=CCC(=O)C=C(C)CC 1458a_100020758463_100000070051 [0,2,0,0,0,0|0,0,2]=4 4389 B10R0.18 CC=CCC(=O)CC(=O)CC 1458a_100121576822_100000747405 [0,2,0,0,0,0|0,0,1]=3 4390 B10R0.18 CC=CCC(=O)CC(=O)NC 1458a_100121576822_100000183359 [0,2,0,0,0,0|1,0,1]=4 4391 B10R0.18 CC=CCC(=O)CC(=O)OC 1458a_100000211351_100000070051 [0,2,0,0,0,0|1,0,1]=4 4392 B10R0.18 CC=CCC(=O)CC(=O)OC 1458a_100121576822_100000747449 [0,2,0,0,0,0|1,0,1]=4 4393 B10R0.18 CC=CCC(=O)CC(C)CC 1458a_100000708755_100000070051 [0,2,0,0,0,0|0,0,0]=2 4394 B10R0.18 CC=CCC(=O)CC(C)CC 1458a_100121576822_100000748023 [0,2,0,0,0,0|0,0,0]=2 4395 B10R0.18 CC=CCC(=O)CC(O)CC 1458a_100011667805_100000070051 [0,2,0,0,0,0|0,0,0]=2 4396 B10R0.18 CC=CCC(=O)CC(O)CC 1458a_100121576822_100011218378 [0,2,0,0,0,0|0,0,0]=2 4397 B10R0.18 CC=CCC(=O)CN(C)CC 1458a_100116209913_100000070051 [0,2,0,0,0,0|1,0,0]=3 4398 B10R0.18 CC=CCC(=O)C[C@@H](C)CC 1458a_100121576822_100009816398 [0,2,0,0,0,0|0,0,0]=2 4399 B10R0.18 CC=CCC(=O)C[C@@H](C)CO 1458a_100121576822_100000059175 [0,2,0,0,0,0|1,0,0]=3 4400 B10R0.18 CC=CCC(=O)NC(C)CC 11a_100000209981_100121576822 [0,2,0,0,0,0|1,0,0]=3 4401 B10R0.18 CC=CCC(=O)NC(C)CC 1626a_100000209981_100121576822 [0,2,0,0,0,0|1,0,0]=3 4402 B10R0.18 CC=CCC(=O)NC(C)CC 240690a_100000209981_100121576822 [0,2,0,0,0,0|1,0,0]=3 4403 B10R0.18 CC=CCC(=O)NC(C)CC 527a_100000209981_100121576822 [0,2,0,0,0,0|1,0,0]=3 4404 B10R0.18 CC=CCC(=O)N[C@H](C)CF 11a_100102880703_100121576822 [0,2,0,0,0,0|2,0,0]=4 4405 B10R0.18 CC=CCC(=O)N[C@H](C)CF 1626a_100102880703_100121576822 [0,2,0,0,0,0|2,0,0]=4 4406 B10R0.18 CC=CCC(=O)N[C@H](C)CF 240690a_100102880703_100121576822 [0,2,0,0,0,0|2,0,0]=4 4407 B10R0.18 CC=CCC(=O)N[C@H](C)CF 527a_100102880703_100121576822 [0,2,0,0,0,0|2,0,0]=4 4408 B10R0.18 CC=CCC(=O)N[C@H](C)CO 240690a_100000737577_100121576822 [0,2,0,0,0,0|2,0,0]=4 4409 B10R0.18 CC=CCC(=O)N[C@H](C)CO 527a_100000737577_100121576822 [0,2,0,0,0,0|2,0,0]=4 4410 B10R0.18 CC=CCN(C)CC(C)CC 2230a_100000753921_100000070051 [0,2,0,0,0,0|2,0,0]=4 4411 B10R0.18 CC=NNC(=O)CN(C)CC 4a_100015186287_200000210099 [0,2,0,0,0,0|2,0,0]=4 4412 B10R0.18 CCC#CC(=O)CC(C)CC 1458a_100011827653_100000748023 [0,2,0,0,0,0|0,0,2]=4 4413 B10R0.18 CCC#CC(=O)CC(O)CC 1458a_100011827653_100011218378 [0,2,0,0,0,0|0,0,2]=4 4414 B10R0.18 CCC#CC(=O)C[C@@H](C)CC 1458a_100011827653_100009816398 [0,2,0,0,0,0|0,0,2]=4 4415 B10R0.18 CCC(=CC(=O)CCC#N)C 1458a_100020758463_100011215226 [0,2,0,0,0,0|1,0,1]=4 4416 B10R0.18 CCC(=CC(=O)CCCF)C 1458a_100020758463_100011934791 [0,2,0,0,0,0|1,0,0]=3 4417 B10R0.18 CCC(=CC(=O)CCCO)C 1458a_100020758463_100011215043 [0,2,0,0,0,0|1,0,0]=3 4418 B10R0.18 CCC(=CC(=O)CCOC)C 1458a_100020758463_100000233755 [0,2,0,0,0,0|1,0,0]=3 4419 B10R0.18 CCC(=CC(=O)CCSC)C 1458a_100020758463_100000751147 [0,2,0,0,0,0|1,0,0]=3 4420 B10R0.18 CCC(=CC(=O)NCCF)C 11a_100000724931_100020758463 [0,2,0,0,0,0|2,0,0]=4 4421 B10R0.18 CCC(=CC(=O)NCCF)C 1626a_100000724931_100020758463 [0,2,0,0,0,0|2,0,0]=4 4422 B10R0.18 CCC(=CC(=O)NCCF)C 240690a_100000724931_100020758463 [0,2,0,0,0,0|2,0,0]=4 4423 B10R0.18 CCC(=CC(=O)NCCO)C 240690a_100000210304_100020758463 [0,2,0,0,0,0|2,0,0]=4 4424 B10R0.18 CCC(=O)CC(=O)C=COC 1458a_100016268678_100000747405 [0,2,0,0,0,0|0,0,1]=3 4425 B10R0.18 CCC(=O)CC(=O)CCOC 1458a_100000749529_100000747405 [0,2,0,0,0,0|1,0,1]=4 4426 B10R0.18 CCC(=O)CC(=O)CCSC 1458a_100000174002_100000747405 [0,2,0,0,0,0|1,0,1]=4 4427 B10R0.18 CCC(C)CC(=O)C#CCO 1458a_100000049017_100000748023 [0,2,0,0,0,0|0,0,2]=4 4428 B10R0.18 CCC(C)CC(=O)C=COC 1458a_100016268678_100000748023 [0,2,0,0,0,0|0,0,0]=2 4429 B10R0.18 CCC(C)CC(=O)CCCF 1458a_100000708755_100011934791 [0,2,0,0,0,0|0,0,2]=4 4430 B10R0.18 CCC(C)CC(=O)CCCO 1458a_100000708755_100011215043 [0,2,0,0,0,0|0,0,2]=4 4431 B10R0.18 CCC(C)CC(=O)CCOC 1458a_100000708755_100000233755 [0,2,0,0,0,0|0,0,2]=4 4432 B10R0.18 CCC(C)CC(=O)CCOC 1458a_100000749529_100000748023 [0,2,0,0,0,0|0,0,2]=4 4433 B10R0.18 CCC(C)CC(=O)CCSC 1458a_100000174002_100000748023 [0,2,0,0,0,0|0,0,2]=4 4434 B10R0.18 CCC(C)CC(=O)CCSC 1458a_100000708755_100000751147 [0,2,0,0,0,0|0,0,2]=4 4435 B10R0.18 CCC(C)CC(=O)NCCF 11a_100000724931_100000708755 [0,2,0,0,0,0|1,0,1]=4 4436 B10R0.18 CCC(C)CC(=O)NCCF 1626a_100000724931_100000708755 [0,2,0,0,0,0|1,0,1]=4 4437 B10R0.18 CCC(C)CC(=O)NCCF 240690a_100000724931_100000708755 [0,2,0,0,0,0|1,0,1]=4 4438 B10R0.18 CCC(C)CC(=O)NCCF 527a_100000724931_100000708755 [0,2,0,0,0,0|1,0,1]=4 4439 B10R0.18 CCC(C)CC(=O)NCCO 240690a_100000210304_100000708755 [0,2,0,0,0,0|1,0,1]=4 4440 B10R0.18 CCC(C)CC(=O)NCCO 527a_100000210304_100000708755 [0,2,0,0,0,0|1,0,1]=4 4441 B10R0.18 CCC(C)NC(=O)C=COC 1626a_100000209981_100016268678 [0,2,0,0,0,0|1,0,0]=3 4442 B10R0.18 CCC(C)NC(=O)C=COC 240690a_100000209981_100016268678 [0,2,0,0,0,0|1,0,0]=3 4443 B10R0.18 CCC(O)CC(=O)C#CCO 1458a_100000049017_100011218378 [0,2,0,0,0,0|0,0,2]=4 4444 B10R0.18 CCC(O)CC(=O)C=COC 1458a_100016268678_100011218378 [0,2,0,0,0,0|0,0,0]=2 4445 B10R0.18 CCC(O)CC(=O)CCCF 1458a_100011667805_100011934791 [0,2,0,0,0,0|0,0,2]=4 4446 B10R0.18 CCC(O)CC(=O)CCCO 1458a_100011667805_100011215043 [0,2,0,0,0,0|0,0,2]=4 4447 B10R0.18 CCC(O)CC(=O)CCOC 1458a_100000749529_100011218378 [0,2,0,0,0,0|0,0,2]=4 4448 B10R0.18 CCC(O)CC(=O)CCOC 1458a_100011667805_100000233755 [0,2,0,0,0,0|0,0,2]=4 4449 B10R0.18 CCC(O)CC(=O)CCSC 1458a_100000174002_100011218378 [0,2,0,0,0,0|0,0,2]=4 4450 B10R0.18 CCC(O)CC(=O)CCSC 1458a_100011667805_100000751147 [0,2,0,0,0,0|0,0,2]=4 4451 B10R0.18 CCC(O)CC(=O)NCCF 1626a_100000724931_100011667805 [0,2,0,0,0,0|1,0,1]=4 4452 B10R0.18 CCC(O)CC(=O)NCCF 240690a_100000724931_100011667805 [0,2,0,0,0,0|1,0,1]=4 4453 B10R0.18 CCC(O)CC(=O)NCCO 240690a_100000210304_100011667805 [0,2,0,0,0,0|1,0,1]=4 4454 B10R0.18 CCC=CC(=O)CC(=O)CC 1458a_100000212282_100000747405 [0,2,0,0,0,0|0,0,1]=3 4455 B10R0.18 CCC=CC(=O)CC(=O)NC 1458a_100000212282_100000183359 [0,2,0,0,0,0|1,0,1]=4 4456 B10R0.18 CCC=CC(=O)CC(=O)OC 1458a_100000212282_100000747449 [0,2,0,0,0,0|1,0,1]=4 4457 B10R0.18 CCC=CC(=O)CC(C)CC 1458a_100000212282_100000748023 [0,2,0,0,0,0|0,0,0]=2 4458 B10R0.18 CCC=CC(=O)CC(O)CC 1458a_100000212282_100011218378 [0,2,0,0,0,0|0,0,0]=2 4459 B10R0.18 CCC=CC(=O)C[C@@H](C)CC 1458a_100000212282_100009816398 [0,2,0,0,0,0|0,0,0]=2 4460 B10R0.18 CCC=CC(=O)C[C@@H](C)CO 1458a_100000212282_100000059175 [0,2,0,0,0,0|1,0,0]=3 4461 B10R0.18 CCC=CC(=O)NC(C)CC 11a_100000209981_100000212282 [0,2,0,0,0,0|1,0,0]=3 4462 B10R0.18 CCC=CC(=O)NC(C)CC 1626a_100000209981_100000212282 [0,2,0,0,0,0|1,0,0]=3 4463 B10R0.18 CCC=CC(=O)NC(C)CC 240690a_100000209981_100000212282 [0,2,0,0,0,0|1,0,0]=3 4464 B10R0.18 CCC=CC(=O)N[C@H](C)CF 11a_100102880703_100000212282 [0,2,0,0,0,0|2,0,0]=4 4465 B10R0.18 CCC=CC(=O)N[C@H](C)CF 1626a_100102880703_100000212282 [0,2,0,0,0,0|2,0,0]=4 4466 B10R0.18 CCC=CC(=O)N[C@H](C)CF 240690a_100102880703_100000212282 [0,2,0,0,0,0|2,0,0]=4 4467 B10R0.18 CCC=CC(=O)N[C@H](C)CO 240690a_100000737577_100000212282 [0,2,0,0,0,0|2,0,0]=4 4468 B10R0.18 CCCCC(=O)C=C(C)CC 1458a_100020758463_100000210211 [0,2,0,0,0,0|0,0,0]=2 4469 B10R0.18 CCCCC(=O)CC(=O)CC 1458a_100000210183_100000747405 [0,2,0,0,0,0|0,0,1]=3 4470 B10R0.18 CCCCC(=O)CC(=O)NC 1458a_100000210183_100000183359 [0,2,0,0,0,0|0,0,1]=3 4471 B10R0.18 CCCCC(=O)CC(=O)OC 1458a_100000210183_100000747449 [0,2,0,0,0,0|0,0,1]=3 4472 B10R0.18 CCCCC(=O)CC(=O)OC 1458a_100000211351_100000210211 [0,2,0,0,0,0|0,0,1]=3 4473 B10R0.18 CCCCC(=O)CC(C)CC 1458a_100000210183_100000748023 [0,2,0,0,0,0|0,0,2]=4 4474 B10R0.18 CCCCC(=O)CC(C)CC 1458a_100000708755_100000210211 [0,2,0,0,0,0|0,0,2]=4 4475 B10R0.18 CCCCC(=O)CC(O)CC 1458a_100000210183_100011218378 [0,2,0,0,0,0|0,0,2]=4 4476 B10R0.18 CCCCC(=O)CC(O)CC 1458a_100011667805_100000210211 [0,2,0,0,0,0|0,0,2]=4 4477 B10R0.18 CCCCC(=O)CN(C)CC 1458a_100116209913_100000210211 [0,2,0,0,0,0|0,0,2]=4 4478 B10R0.18 CCCCC(=O)C[C@@H](C)CC 1458a_100000210183_100009816398 [0,2,0,0,0,0|0,0,2]=4 4479 B10R0.18 CCCCC(=O)C[C@@H](C)CO 1458a_100000210183_100000059175 [0,2,0,0,0,0|0,0,2]=4 4480 B10R0.18 CCCCC(=O)NC(C)C#N 11a_100000737613_100000210183 [0,2,0,0,0,0|1,0,1]=4 4481 B10R0.18 CCCCC(=O)NC(C)C#N 1626a_100000737613_100000210183 [0,2,0,0,0,0|1,0,1]=4 4482 B10R0.18 CCCCC(=O)NC(C)C#N 527a_100000737613_100000210183 [0,2,0,0,0,0|1,0,1]=4 4483 B10R0.18 CCCCC(=O)NC(C)CC 11a_100000209981_100000210183 [0,2,0,0,0,0|0,0,2]=4 4484 B10R0.18 CCCCC(=O)NC(C)CC 1626a_100000209981_100000210183 [0,2,0,0,0,0|0,0,2]=4 4485 B10R0.18 CCCCC(=O)NC(C)CC 240690a_100000209981_100000210183 [0,2,0,0,0,0|0,0,2]=4 4486 B10R0.18 CCCCC(=O)NC(C)CC 527a_100000209981_100000210183 [0,2,0,0,0,0|0,0,2]=4 4487 B10R0.18 CCCCC(=O)N[C@H](C)CF 11a_100102880703_100000210183 [0,2,0,0,0,0|1,0,1]=4 4488 B10R0.18 CCCCC(=O)N[C@H](C)CF 1626a_100102880703_100000210183 [0,2,0,0,0,0|1,0,1]=4 4489 B10R0.18 CCCCC(=O)N[C@H](C)CF 240690a_100102880703_100000210183 [0,2,0,0,0,0|1,0,1]=4 4490 B10R0.18 CCCCC(=O)N[C@H](C)CF 527a_100102880703_100000210183 [0,2,0,0,0,0|1,0,1]=4 4491 B10R0.18 CCCCC(=O)N[C@H](C)CO 240690a_100000737577_100000210183 [0,2,0,0,0,0|1,0,1]=4 4492 B10R0.18 CCCCC(=O)N[C@H](C)CO 527a_100000737577_100000210183 [0,2,0,0,0,0|1,0,1]=4 4493 B10R0.18 CCCNC(=O)C=C(C)CC 11a_100020643023_100020758463 [0,2,0,0,0,0|1,0,0]=3 4494 B10R0.18 CCCNC(=O)C=C(C)CC 1626a_100020643023_100020758463 [0,2,0,0,0,0|1,0,0]=3 4495 B10R0.18 CCCNC(=O)C=C(C)CC 240690a_100020643023_100020758463 [0,2,0,0,0,0|1,0,0]=3 4496 B10R0.18 CCCNC(=O)CC(=O)CC 1458a_100000210414_100000183358 [0,2,0,0,0,0|1,0,1]=4 4497 B10R0.18 CCCNC(=O)CC(=O)CO 1458a_100000210174_100000183358 [0,2,0,0,0,0|1,0,1]=4 4498 B10R0.18 CCCNC(=O)CC(=O)OC 240690a_100020643023_100000211351 [0,2,0,0,0,0|1,0,1]=4 4499 B10R0.18 CCCNC(=O)CC(C)CC 11a_100020643023_100000708755 [0,2,0,0,0,0|0,0,2]=4 4500 B10R0.18 CCCNC(=O)CC(C)CC 1626a_100020643023_100000708755 [0,2,0,0,0,0|0,0,2]=4 4501 B10R0.18 CCCNC(=O)CC(C)CC 240690a_100020643023_100000708755 [0,2,0,0,0,0|0,0,2]=4 4502 B10R0.18 CCCNC(=O)CC(C)CC 527a_100020643023_100000708755 [0,2,0,0,0,0|0,0,2]=4 4503 B10R0.18 CCCNC(=O)CC(O)CC 1626a_100020643023_100011667805 [0,2,0,0,0,0|0,0,2]=4 4504 B10R0.18 CCCNC(=O)CC(O)CC 240690a_100020643023_100011667805 [0,2,0,0,0,0|0,0,2]=4 4505 B10R0.18 CCCOC(=O)CC(=O)CC 1458a_100000210414_200011215008 [0,2,0,0,0,0|1,0,1]=4 4506 B10R0.18 CCCOC(=O)CC(=O)CO 1458a_100000210174_200011215008 [0,2,0,0,0,0|1,0,1]=4 4507 B10R0.18 CCNNC(=O)C=C(C)CC 22a_100000756455_100020758463 [0,2,0,0,0,0|2,0,0]=4 4508 B10R0.18 CCNNC(=O)CC(C)CC 22a_100000756455_100000708755 [0,2,0,0,0,0|1,0,1]=4 4509 B10R0.18 CCNNC(=O)CC(O)CC 22a_100000756455_100011667805 [0,2,0,0,0,0|1,0,1]=4 4510 B10R0.18 CCOCC(=O)CC(=O)CC 1458a_100000211967_100000747405 [0,2,0,0,0,0|1,0,1]=4 4511 B10R0.18 CCOCC(=O)CC(=O)NC 1458a_100000211967_100000183359 [0,2,0,0,0,0|1,0,1]=4 4512 B10R0.18 CCOCC(=O)CC(=O)OC 1458a_100000211967_100000747449 [0,2,0,0,0,0|1,0,1]=4 4513 B10R0.18 CCOCC(=O)CC(C)CC 1458a_100000211967_100000748023 [0,2,0,0,0,0|0,0,2]=4 4514 B10R0.18 CCOCC(=O)CC(O)CC 1458a_100000211967_100011218378 [0,2,0,0,0,0|0,0,2]=4 4515 B10R0.18 CCOCC(=O)C[C@@H](C)CC 1458a_100000211967_100009816398 [0,2,0,0,0,0|0,0,2]=4 4516 B10R0.18 CCSCC(=O)CC(=O)CC 1458a_100000230394_100000747405 [0,2,0,0,0,0|1,0,1]=4 4517 B10R0.18 CCSCC(=O)CC(=O)NC 1458a_100000230394_100000183359 [0,2,0,0,0,0|1,0,1]=4 4518 B10R0.18 CCSCC(=O)CC(=O)OC 1458a_100000230394_100000747449 [0,2,0,0,0,0|1,0,1]=4 4519 B10R0.18 CCSCC(=O)CC(=O)OC 62a_100000210202_100000210525 [0,2,0,0,0,0|1,0,1]=4 4520 B10R0.18 CCSCC(=O)CC(=O)OC 62a_100000210525_100000210202 [0,2,0,0,0,0|1,0,1]=4 4521 B10R0.18 CCSCC(=O)CC(C)CC 1458a_100000230394_100000748023 [0,2,0,0,0,0|0,0,2]=4 4522 B10R0.18 CCSCC(=O)CC(O)CC 1458a_100000230394_100011218378 [0,2,0,0,0,0|0,0,2]=4 4523 B10R0.18 CCSCC(=O)C[C@@H](C)CC 1458a_100000230394_100009816398 [0,2,0,0,0,0|0,0,2]=4 4524 B10R0.18 CCSCC(=O)NC(=O)OC 62a_100000210202_100000010850 [0,2,0,0,0,0|2,0,0]=4 4525 B10R0.18 CC[C@H](C)CC(=O)C#CCO 1458a_100000049017_100009816398 [0,2,0,0,0,0|0,0,2]=4 4526 B10R0.18 CC[C@H](C)CC(=O)C=COC 1458a_100016268678_100009816398 [0,2,0,0,0,0|0,0,0]=2 4527 B10R0.18 CC[C@H](C)CC(=O)CCOC 1458a_100000749529_100009816398 [0,2,0,0,0,0|0,0,2]=4 4528 B10R0.18 CC[C@H](C)CC(=O)CCSC 1458a_100000174002_100009816398 [0,2,0,0,0,0|0,0,2]=4 4529 B10R0.18 CNC(=O)CC(=O)C=COC 1458a_100016268678_100000183359 [0,2,0,0,0,0|1,0,1]=4 4530 B10R0.18 CNC(=O)CC(=O)CCOC 1458a_100000749529_100000183359 [0,2,0,0,0,0|1,0,1]=4 4531 B10R0.18 CNC(=O)CC(=O)CCSC 1458a_100000174002_100000183359 [0,2,0,0,0,0|1,0,1]=4 4532 B10R0.18 COC(=O)CC(=O)CCCF 1458a_100000211351_100011934791 [0,2,0,0,0,0|1,0,1]=4 4533 B10R0.18 COC(=O)CC(=O)CCCO 1458a_100000211351_100011215043 [0,2,0,0,0,0|1,0,1]=4 4534 B10R0.18 COC(=O)CC(=O)CCSC 1458a_100000174002_100000747449 [0,2,0,0,0,0|1,0,1]=4 4535 B10R0.18 COC(=O)CC(=O)CCSC 1458a_100000211351_100000751147 [0,2,0,0,0,0|1,0,1]=4 4536 B10R0.18 COC=CC(=O)CC(=O)OC 1458a_100016268678_100000747449 [0,2,0,0,0,0|1,0,1]=4 4537 B10R0.18 COC=CC(=O)C[C@@H](C)CO 1458a_100016268678_100000059175 [0,2,0,0,0,0|1,0,0]=3 4538 B10R0.18 COC=CC(=O)N[C@H](C)CF 1626a_100102880703_100016268678 [0,2,0,0,0,0|2,0,0]=4 4539 B10R0.18 COC=CC(=O)N[C@H](C)CF 240690a_100102880703_100016268678 [0,2,0,0,0,0|2,0,0]=4 4540 B10R0.18 COC=CC(=O)N[C@H](C)CO 240690a_100000737577_100016268678 [0,2,0,0,0,0|2,0,0]=4 4541 B10R0.18 COCCC(=O)CC(=O)OC 1458a_100000211351_100000233755 [0,2,0,0,0,0|1,0,1]=4 4542 B10R0.18 COCCC(=O)CC(=O)OC 1458a_100000749529_100000747449 [0,2,0,0,0,0|1,0,1]=4 4543 B10R0.28 CCCCC(=O)CC(C)(C)C 1458a_100000211214_100000210211 [0,2,0,0,0,0|0,0,2]=4 4544 B10R0.28 CCCCC(=O)CC(C)(C)O 1458a_100000693243_100000210211 [0,2,0,0,0,0|0,0,2]=4 4545 B10R0.28 CCCCC(=O)CS(=O)(=O)C 1458a_100000744497_100000210211 [0,2,0,0,0,0|1,0,1]=4 4546 B10R0.28 CCCCC(=O)C[N+](C)(C)C 1458a_100000033712_100000210211 [0,2,0,0,0,0|1,0,1]=4 4547 B10R0.28 CCCCC(=O)C[Si](C)(C)C 1458a_100000210183_100000233785 [0,2,0,0,0,0|0,1,1]=4 4548 B10R0.28 CCCCC(=O)C[Si](C)(C)C 1458a_100011218504_100000210211 [0,2,0,0,0,0|0,1,1]=4 4549 B10R0.28 CCCCC(=O)NC(C)(C)C 11a_100000715429_100000210183 [0,2,0,0,0,0|1,0,1]=4 4550 B10R0.28 CCCCC(=O)NC(C)(C)C 1626a_100000715429_100000210183 [0,2,0,0,0,0|1,0,1]=4 4551 B10R0.28 CCCCC(=O)NC(C)(C)C 240690a_100000715429_100000210183 [0,2,0,0,0,0|1,0,1]=4 4552 B10R0.28 CCCCC(=O)NC(C)(C)C 527a_100000715429_100000210183 [0,2,0,0,0,0|1,0,1]=4 4553 B10R0.28 CCCCC(=O)NS(=O)(=O)C 2740a_100000171171_100000210183 [0,2,0,0,0,0|2,0,0]=4 4554 B10R0.32 C=C(C)CC(=O)C(C)CCC 1458a_100000210906_100000748629 [0,2,0,0,0,0|0,0,1]=3 4555 B10R0.32 C=C(C)CC(=O)C(C)COC 1458a_100000751857_100000748629 [0,2,0,0,0,0|1,0,1]=4 4556 B10R0.32 C=C(C)CC(=O)C(C)CSC 1458a_100000753918_100000748629 [0,2,0,0,0,0|1,0,1]=4 4557 B10R0.32 C=C(C)CC(=O)C(C)OCC 1458a_100000739345_100000748629 [0,2,0,0,0,0|1,0,1]=4 4558 B10R0.32 C=C(C)CC(=O)C(C)SCC 1458a_100000230601_100000748629 [0,2,0,0,0,0|1,0,1]=4 4559 B10R0.32 C=C(C)CC(=O)[C@@H](O)CCC 1458a_100009822183_100000748629 [0,2,0,0,0,0|0,0,1]=3 4560 B10R0.32 C=C(C)CN(C)C(=O)C=CC 11a_100000225649_100000210699 [0,2,0,0,0,0|1,0,1]=4 4561 B10R0.32 C=C(C)CN(C)C(=O)C=CC 1626a_100000225649_100000210699 [0,2,0,0,0,0|1,0,1]=4 4562 B10R0.32 C=C(F)CC(=O)C(C)CCC 1458a_100000210906_100009893438 [0,2,0,0,0,0|0,0,2]=4 4563 B10R0.32 C=C(F)CC(=O)[C@@H](O)CCC 1458a_100009822183_100009893438 [0,2,0,0,0,0|0,0,2]=4 4564 B10R0.32 C=CCC(=O)C(C)CC(C)C 1458a_100000210193_100000731052 [0,2,0,0,0,0|0,0,2]=4 4565 B10R0.32 C=CCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000210623 [0,2,0,0,0,0|0,0,2]=4 4566 B10R0.32 CC#CC(=O)C(C)CC(C)C 1458a_100000763181_100000731052 [0,2,0,0,0,0|0,0,2]=4 4567 B10R0.32 CC(=CC(=O)C(C)CC#N)C 1458a_100000211388_100009813641 [0,2,0,0,0,0|1,0,1]=4 4568 B10R0.32 CC(=CC(=O)C(C)CC#N)Cl 1458a_200042562850_100009813641 [0,2,0,0,0,0|1,0,1]=4 4569 B10R0.32 CC(=CC(=O)C(C)CC#N)I 1458a_100025716642_100009813641 [0,2,0,0,0,0|1,0,1]=4 4570 B10R0.32 CC(=CC(=O)C(C)CCO)C 1458a_100000211388_100009893172 [0,2,0,0,0,0|1,0,0]=3 4571 B10R0.32 CC(=CC(=O)C(C)CCO)Cl 1458a_200042562850_100009893172 [0,2,0,0,0,0|1,0,0]=3 4572 B10R0.32 CC(=CC(=O)C(C)CCO)I 1458a_100025716642_100009893172 [0,2,0,0,0,0|1,0,0]=3 4573 B10R0.32 CC(=CC(=O)N(C)CCO)C 240690a_100000210263_100000211388 [0,2,0,0,0,0|2,0,0]=4 4574 B10R0.32 CC(=CC(=O)N(C)CCO)Cl 240690a_100000210263_200042562850 [0,2,0,0,0,0|2,0,0]=4 4575 B10R0.32 CC(C)CC(C)C(=O)C=CBr 1458a_100016273825_100000731052 [0,2,0,0,0,0|1,0,0]=3 4576 B10R0.32 CC(C)CC(C)C(=O)C=CCl 1458a_200016279998_100000731052 [0,2,0,0,0,0|1,0,0]=3 4577 B10R0.32 CC(C)CC(C)C(=O)C=CI 1458a_100016256311_100000731052 [0,2,0,0,0,0|1,0,0]=3 4578 B10R0.32 CC(C)CN(C)C(=O)C=CBr 1626a_100000747067_100016273825 [0,2,0,0,0,0|2,0,0]=4 4579 B10R0.32 CC(C)CN(C)C(=O)C=CBr 240690a_100000747067_100016273825 [0,2,0,0,0,0|2,0,0]=4 4580 B10R0.32 CC(C)CN(C)C(=O)C=CCl 11a_100000747067_200016279998 [0,2,0,0,0,0|2,0,0]=4 4581 B10R0.32 CC(C)CN(C)C(=O)C=CCl 1626a_100000747067_200016279998 [0,2,0,0,0,0|2,0,0]=4 4582 B10R0.32 CC(C)CN(C)C(=O)C=CCl 240690a_100000747067_200016279998 [0,2,0,0,0,0|2,0,0]=4 4583 B10R0.32 CC(C)CN(C)C(=O)C=CI 1626a_100000747067_100016256311 [0,2,0,0,0,0|2,0,0]=4 4584 B10R0.32 CC(CCO)C(=O)C=C(Cl)Cl 1458a_100000137448_100009893172 [0,2,0,0,0,0|2,0,0]=4 4585 B10R0.32 CC(O)CN(C)C(=O)C=CBr 240690a_100000227577_100016273825 [0,2,0,0,0,0|2,0,0]=4 4586 B10R0.32 CC(O)CN(C)C(=O)C=CCl 240690a_100000227577_200016279998 [0,2,0,0,0,0|2,0,0]=4 4587 B10R0.32 CC=CC(=O)C(C)CC(C)C 1458a_100000210699_100000731052 [0,2,0,0,0,0|0,0,0]=2 4588 B10R0.32 CC=CC(=O)C(C)OC(=O)C 1458a_100000210699_100009818208 [0,2,0,0,0,0|1,0,1]=4 4589 B10R0.32 CC=CC(=O)N(C)CC(C)C 11a_100000747067_100000210699 [0,2,0,0,0,0|1,0,0]=3 4590 B10R0.32 CC=CC(=O)N(C)CC(C)C 1626a_100000747067_100000210699 [0,2,0,0,0,0|1,0,0]=3 4591 B10R0.32 CC=CC(=O)N(C)CC(C)C 240690a_100000747067_100000210699 [0,2,0,0,0,0|1,0,0]=3 4592 B10R0.32 CC=CC(=O)N(C)CC(C)O 240690a_100000227577_100000210699 [0,2,0,0,0,0|1,0,0]=3 4593 B10R0.32 CCCC(=O)C(C)CC(C)C 1458a_100000211992_100000731052 [0,2,0,0,0,0|0,0,2]=4 4594 B10R0.32 CCCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000210303 [0,2,0,0,0,0|0,0,2]=4 4595 B10R0.32 CCCC(C)C(=O)C=C(C)C 1458a_100000211388_100000766640 [0,2,0,0,0,0|0,0,0]=2 4596 B10R0.32 CCCC(C)C(=O)C=C(C)Cl 1458a_200042562850_100000766640 [0,2,0,0,0,0|0,0,0]=2 4597 B10R0.32 CCCC(C)C(=O)C=C(C)I 1458a_100025716642_100000766640 [0,2,0,0,0,0|0,0,0]=2 4598 B10R0.32 CCCC(C)C(=O)C=C(Cl)Cl 1458a_100000137448_100000766640 [0,2,0,0,0,0|1,0,0]=3 4599 B10R0.32 CCCC(C)C(=O)CC(=O)N 1458a_100000210906_100000187820 [0,2,0,0,0,0|1,0,1]=4 4600 B10R0.32 CCCC(C)C(=O)CC(=O)N 1458a_100134613110_100000766640 [0,2,0,0,0,0|1,0,1]=4 4601 B10R0.32 CCCC(C)C(=O)CC(=O)[O-] 1458a_100000210906_100020667443 [0,2,0,0,0,0|1,0,1]=4 4602 B10R0.32 CCCC(C)C(=O)CC(C)C 1458a_100000210554_100000766640 [0,2,0,0,0,0|0,0,2]=4 4603 B10R0.32 CCCC(C)C(=O)CC(C)C 1458a_100000210906_100000210624 [0,2,0,0,0,0|0,0,2]=4 4604 B10R0.32 CCCC(C)C(=O)CC(C)O 1458a_100000210906_100011218427 [0,2,0,0,0,0|0,0,2]=4 4605 B10R0.32 CCCC(C)C(=O)CN(C)C 1458a_100000750896_100000766640 [0,2,0,0,0,0|1,0,1]=4 4606 B10R0.32 CCCC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000766640 [0,2,0,0,0,0|0,0,2]=4 4607 B10R0.32 CCCC(C)C(=O)C[S+](C)C 1458a_200159257847_100000766640 [0,2,0,0,0,0|1,0,1]=4 4608 B10R0.32 CCCC(C)C(=O)NC(C)C 11a_100138425928_100000210906 [0,2,0,0,0,0|1,0,1]=4 4609 B10R0.32 CCCC(C)C(=O)NC(C)C 1626a_100138425928_100000210906 [0,2,0,0,0,0|1,0,1]=4 4610 B10R0.32 CCCC(C)C(=O)NC(C)C 240690a_100138425928_100000210906 [0,2,0,0,0,0|1,0,1]=4 4611 B10R0.32 CCCC(C)C(=O)NC(C)C 527a_100138425928_100000210906 [0,2,0,0,0,0|1,0,1]=4 4612 B10R0.32 CCCN(C)C(=O)C=C(C)C 11a_100000747261_100000211388 [0,2,0,0,0,0|1,0,0]=3 4613 B10R0.32 CCCN(C)C(=O)C=C(C)C 1626a_100000747261_100000211388 [0,2,0,0,0,0|1,0,0]=3 4614 B10R0.32 CCCN(C)C(=O)C=C(C)C 240690a_100000747261_100000211388 [0,2,0,0,0,0|1,0,0]=3 4615 B10R0.32 CCCN(C)C(=O)C=C(C)Cl 11a_100000747261_200042562850 [0,2,0,0,0,0|1,0,0]=3 4616 B10R0.32 CCCN(C)C(=O)C=C(C)Cl 1626a_100000747261_200042562850 [0,2,0,0,0,0|1,0,0]=3 4617 B10R0.32 CCCN(C)C(=O)C=C(C)Cl 240690a_100000747261_200042562850 [0,2,0,0,0,0|1,0,0]=3 4618 B10R0.32 CCCN(C)C(=O)C=C(C)I 11a_100000747261_100025716642 [0,2,0,0,0,0|1,0,0]=3 4619 B10R0.32 CCCN(C)C(=O)C=C(C)I 1626a_100000747261_100025716642 [0,2,0,0,0,0|1,0,0]=3 4620 B10R0.32 CCCN(C)C(=O)C=C(Cl)Cl 1626a_100000747261_100000137448 [0,2,0,0,0,0|2,0,0]=4 4621 B10R0.32 CCCN(C)C(=O)C=C(Cl)Cl 240690a_100000747261_100000137448 [0,2,0,0,0,0|2,0,0]=4 4622 B10R0.32 CCC[C@H](O)C(=O)CC(=O)N 1458a_100009822183_100000187820 [0,2,0,0,0,0|1,0,1]=4 4623 B10R0.32 CCC[C@H](O)C(=O)CC(=O)[O-] 1458a_100009822183_100020667443 [0,2,0,0,0,0|1,0,1]=4 4624 B10R0.32 CCC[C@H](O)C(=O)CC(C)C 1458a_100009822183_100000210624 [0,2,0,0,0,0|0,0,2]=4 4625 B10R0.32 CCC[C@H](O)C(=O)CC(C)O 1458a_100009822183_100011218427 [0,2,0,0,0,0|0,0,2]=4 4626 B10R0.32 CCC[C@H](O)C(=O)NC(C)C 240690a_100138425928_100009822183 [0,2,0,0,0,0|1,0,1]=4 4627 B10R0.32 CCNC(=O)[C@@H](O)CC(C)C 240690a_100015525214_100012027011 [0,2,0,0,0,0|1,0,1]=4 4628 B10R0.32 CNNC(=O)[C@@H](O)CC(C)C 22a_100016993582_100012027011 [0,2,0,0,0,0|2,0,0]=4 4629 B10R0.32 COCC(=O)C(C)CC(C)C 1458a_100000210968_100000731052 [0,2,0,0,0,0|1,0,1]=4 4630 B10R0.32 COCC(C)C(=O)C=C(C)C 1458a_100000211388_100000765312 [0,2,0,0,0,0|1,0,0]=3 4631 B10R0.32 COCC(C)C(=O)C=C(C)Cl 1458a_200042562850_100000765312 [0,2,0,0,0,0|1,0,0]=3 4632 B10R0.32 COCC(C)C(=O)C=C(C)I 1458a_100025716642_100000765312 [0,2,0,0,0,0|1,0,0]=3 4633 B10R0.32 COCC(C)C(=O)C=C(Cl)Cl 1458a_100000137448_100000765312 [0,2,0,0,0,0|2,0,0]=4 4634 B10R0.32 CSCC(=O)C(C)CC(C)C 1458a_100000184570_100000731052 [0,2,0,0,0,0|1,0,1]=4 4635 B10R0.44 C=C(C)CC(=O)CC(C)CC 1458a_100000708755_100000748629 [0,2,0,0,0,0|0,0,1]=3 4636 B10R0.44 C=C(C)CC(=O)CC(O)CC 1458a_100011667805_100000748629 [0,2,0,0,0,0|0,0,1]=3 4637 B10R0.44 C=C(C)CC(=O)CN(C)CC 1458a_100116209913_100000748629 [0,2,0,0,0,0|1,0,1]=4 4638 B10R0.44 C=C(F)CC(=O)CC(C)CC 1458a_100000708755_100009893438 [0,2,0,0,0,0|0,0,2]=4 4639 B10R0.44 C=C(F)CC(=O)CC(O)CC 1458a_100011667805_100009893438 [0,2,0,0,0,0|0,0,2]=4 4640 B10R0.44 CC(=CC(=O)C[C@@H](C)CO)C 1458a_100000211388_100000059175 [0,2,0,0,0,0|1,0,0]=3 4641 B10R0.44 CC(=CC(=O)C[C@@H](C)CO)Cl 1458a_200042562850_100000059175 [0,2,0,0,0,0|1,0,0]=3 4642 B10R0.44 CC(=CC(=O)C[C@@H](C)CO)I 1458a_100025716642_100000059175 [0,2,0,0,0,0|1,0,0]=3 4643 B10R0.44 CC(=CC(=O)N[C@H](C)CF)C 11a_100102880703_100000211388 [0,2,0,0,0,0|2,0,0]=4 4644 B10R0.44 CC(=CC(=O)N[C@H](C)CF)C 1626a_100102880703_100000211388 [0,2,0,0,0,0|2,0,0]=4 4645 B10R0.44 CC(=CC(=O)N[C@H](C)CF)C 240690a_100102880703_100000211388 [0,2,0,0,0,0|2,0,0]=4 4646 B10R0.44 CC(=CC(=O)N[C@H](C)CF)Cl 11a_100102880703_200042562850 [0,2,0,0,0,0|2,0,0]=4 4647 B10R0.44 CC(=CC(=O)N[C@H](C)CF)Cl 1626a_100102880703_200042562850 [0,2,0,0,0,0|2,0,0]=4 4648 B10R0.44 CC(=CC(=O)N[C@H](C)CF)Cl 240690a_100102880703_200042562850 [0,2,0,0,0,0|2,0,0]=4 4649 B10R0.44 CC(=CC(=O)N[C@H](C)CF)I 11a_100102880703_100025716642 [0,2,0,0,0,0|2,0,0]=4 4650 B10R0.44 CC(=CC(=O)N[C@H](C)CF)I 1626a_100102880703_100025716642 [0,2,0,0,0,0|2,0,0]=4 4651 B10R0.44 CC(=CC(=O)N[C@H](C)CO)C 240690a_100000737577_100000211388 [0,2,0,0,0,0|2,0,0]=4 4652 B10R0.44 CC(=CC(=O)N[C@H](C)CO)Cl 240690a_100000737577_200042562850 [0,2,0,0,0,0|2,0,0]=4 4653 B10R0.44 CCC(=O)CC(=O)C=C(C)C 1458a_100000211388_100000747405 [0,2,0,0,0,0|0,0,1]=3 4654 B10R0.44 CCC(=O)CC(=O)C=C(C)Cl 1458a_200042562850_100000747405 [0,2,0,0,0,0|0,0,1]=3 4655 B10R0.44 CCC(=O)CC(=O)C=C(C)I 1458a_100025716642_100000747405 [0,2,0,0,0,0|0,0,1]=3 4656 B10R0.44 CCC(=O)CC(=O)C=C(Cl)Cl 1458a_100000137448_100000747405 [0,2,0,0,0,0|1,0,1]=4 4657 B10R0.44 CCC(=O)CC(=O)NC(=O)C 1458a_100000210414_100000183797 [0,2,0,0,0,0|1,0,1]=4 4658 B10R0.44 CCC(C)CC(=O)C=C(C)C 1458a_100000211388_100000748023 [0,2,0,0,0,0|0,0,0]=2 4659 B10R0.44 CCC(C)CC(=O)C=C(C)Cl 1458a_200042562850_100000748023 [0,2,0,0,0,0|0,0,0]=2 4660 B10R0.44 CCC(C)CC(=O)C=C(C)I 1458a_100025716642_100000748023 [0,2,0,0,0,0|0,0,0]=2 4661 B10R0.44 CCC(C)CC(=O)C=C(Cl)Cl 1458a_100000137448_100000748023 [0,2,0,0,0,0|1,0,0]=3 4662 B10R0.44 CCC(C)CC(=O)CC(=O)N 1458a_100000708755_100000187820 [0,2,0,0,0,0|1,0,1]=4 4663 B10R0.44 CCC(C)CC(=O)CC(=O)N 1458a_100134613110_100000748023 [0,2,0,0,0,0|1,0,1]=4 4664 B10R0.44 CCC(C)CC(=O)CC(=O)[O-] 1458a_100000708755_100020667443 [0,2,0,0,0,0|1,0,1]=4 4665 B10R0.44 CCC(C)CC(=O)CC(C)C 1458a_100000210554_100000748023 [0,2,0,0,0,0|0,0,2]=4 4666 B10R0.44 CCC(C)CC(=O)CC(C)C 1458a_100000708755_100000210624 [0,2,0,0,0,0|0,0,2]=4 4667 B10R0.44 CCC(C)CC(=O)CC(C)O 1458a_100000708755_100011218427 [0,2,0,0,0,0|0,0,2]=4 4668 B10R0.44 CCC(C)CC(=O)CN(C)C 1458a_100000750896_100000748023 [0,2,0,0,0,0|1,0,1]=4 4669 B10R0.44 CCC(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100000748023 [0,2,0,0,0,0|0,0,2]=4 4670 B10R0.44 CCC(C)CC(=O)C[S+](C)C 1458a_200159257847_100000748023 [0,2,0,0,0,0|1,0,1]=4 4671 B10R0.44 CCC(C)CC(=O)NC(C)C 11a_100138425928_100000708755 [0,2,0,0,0,0|1,0,1]=4 4672 B10R0.44 CCC(C)CC(=O)NC(C)C 1626a_100138425928_100000708755 [0,2,0,0,0,0|1,0,1]=4 4673 B10R0.44 CCC(C)CC(=O)NC(C)C 240690a_100138425928_100000708755 [0,2,0,0,0,0|1,0,1]=4 4674 B10R0.44 CCC(C)CC(=O)NC(C)C 527a_100138425928_100000708755 [0,2,0,0,0,0|1,0,1]=4 4675 B10R0.44 CCC(C)NC(=O)C=C(C)C 11a_100000209981_100000211388 [0,2,0,0,0,0|1,0,0]=3 4676 B10R0.44 CCC(C)NC(=O)C=C(C)C 1626a_100000209981_100000211388 [0,2,0,0,0,0|1,0,0]=3 4677 B10R0.44 CCC(C)NC(=O)C=C(C)C 240690a_100000209981_100000211388 [0,2,0,0,0,0|1,0,0]=3 4678 B10R0.44 CCC(C)NC(=O)C=C(C)Cl 11a_100000209981_200042562850 [0,2,0,0,0,0|1,0,0]=3 4679 B10R0.44 CCC(C)NC(=O)C=C(C)Cl 1626a_100000209981_200042562850 [0,2,0,0,0,0|1,0,0]=3 4680 B10R0.44 CCC(C)NC(=O)C=C(C)Cl 240690a_100000209981_200042562850 [0,2,0,0,0,0|1,0,0]=3 4681 B10R0.44 CCC(C)NC(=O)C=C(C)I 11a_100000209981_100025716642 [0,2,0,0,0,0|1,0,0]=3 4682 B10R0.44 CCC(C)NC(=O)C=C(C)I 1626a_100000209981_100025716642 [0,2,0,0,0,0|1,0,0]=3 4683 B10R0.44 CCC(C)NC(=O)C=C(Cl)Cl 1626a_100000209981_100000137448 [0,2,0,0,0,0|2,0,0]=4 4684 B10R0.44 CCC(C)NC(=O)C=C(Cl)Cl 240690a_100000209981_100000137448 [0,2,0,0,0,0|2,0,0]=4 4685 B10R0.44 CCC(C)NC(=O)CC(=O)C 1458a_100000070787_100000182745 [0,2,0,0,0,0|1,0,1]=4 4686 B10R0.44 CCC(O)CC(=O)C=C(C)C 1458a_100000211388_100011218378 [0,2,0,0,0,0|0,0,0]=2 4687 B10R0.44 CCC(O)CC(=O)C=C(C)Cl 1458a_200042562850_100011218378 [0,2,0,0,0,0|0,0,0]=2 4688 B10R0.44 CCC(O)CC(=O)C=C(C)I 1458a_100025716642_100011218378 [0,2,0,0,0,0|0,0,0]=2 4689 B10R0.44 CCC(O)CC(=O)C=C(Cl)Cl 1458a_100000137448_100011218378 [0,2,0,0,0,0|1,0,0]=3 4690 B10R0.44 CCC(O)CC(=O)CC(=O)N 1458a_100011667805_100000187820 [0,2,0,0,0,0|1,0,1]=4 4691 B10R0.44 CCC(O)CC(=O)CC(=O)N 1458a_100134613110_100011218378 [0,2,0,0,0,0|1,0,1]=4 4692 B10R0.44 CCC(O)CC(=O)CC(=O)[O-] 1458a_100011667805_100020667443 [0,2,0,0,0,0|1,0,1]=4 4693 B10R0.44 CCC(O)CC(=O)CC(C)C 1458a_100000210554_100011218378 [0,2,0,0,0,0|0,0,2]=4 4694 B10R0.44 CCC(O)CC(=O)CC(C)C 1458a_100011667805_100000210624 [0,2,0,0,0,0|0,0,2]=4 4695 B10R0.44 CCC(O)CC(=O)CC(C)O 1458a_100011667805_100011218427 [0,2,0,0,0,0|0,0,2]=4 4696 B10R0.44 CCC(O)CC(=O)CN(C)C 1458a_100000750896_100011218378 [0,2,0,0,0,0|1,0,1]=4 4697 B10R0.44 CCC(O)CC(=O)C[C@@H](C)O 1458a_100011933948_100011218378 [0,2,0,0,0,0|0,0,2]=4 4698 B10R0.44 CCC(O)CC(=O)C[S+](C)C 1458a_200159257847_100011218378 [0,2,0,0,0,0|1,0,1]=4 4699 B10R0.44 CCC(O)CC(=O)NC(C)C 1626a_100138425928_100011667805 [0,2,0,0,0,0|1,0,1]=4 4700 B10R0.44 CCC(O)CC(=O)NC(C)C 240690a_100138425928_100011667805 [0,2,0,0,0,0|1,0,1]=4 4701 B10R0.44 CCN(C)CC(=O)NC(=O)C 269982a_100000225621_100000183797 [0,2,0,0,0,0|2,0,0]=4 4702 B10R0.44 CC[C@H](C)CC(=O)C=C(C)C 1458a_100000211388_100009816398 [0,2,0,0,0,0|0,0,0]=2 4703 B10R0.44 CC[C@H](C)CC(=O)C=C(C)Cl 1458a_200042562850_100009816398 [0,2,0,0,0,0|0,0,0]=2 4704 B10R0.44 CC[C@H](C)CC(=O)C=C(C)I 1458a_100025716642_100009816398 [0,2,0,0,0,0|0,0,0]=2 4705 B10R0.44 CC[C@H](C)CC(=O)C=C(Cl)Cl 1458a_100000137448_100009816398 [0,2,0,0,0,0|1,0,0]=3 4706 B10R0.44 CC[C@H](C)CC(=O)CC(=O)N 1458a_100134613110_100009816398 [0,2,0,0,0,0|1,0,1]=4 4707 B10R0.44 CC[C@H](C)CC(=O)CC(C)C 1458a_100000210554_100009816398 [0,2,0,0,0,0|0,0,2]=4 4708 B10R0.44 CC[C@H](C)CC(=O)CN(C)C 1458a_100000750896_100009816398 [0,2,0,0,0,0|1,0,1]=4 4709 B10R0.44 CC[C@H](C)CC(=O)C[C@@H](C)O 1458a_100011933948_100009816398 [0,2,0,0,0,0|0,0,2]=4 4710 B10R0.44 CC[C@H](C)CC(=O)C[S+](C)C 1458a_200159257847_100009816398 [0,2,0,0,0,0|1,0,1]=4 4711 B10R0.44 CNC(=O)CC(=O)C=C(C)C 1458a_100000211388_100000183359 [0,2,0,0,0,0|1,0,1]=4 4712 B10R0.44 CNC(=O)CC(=O)C=C(C)Cl 1458a_200042562850_100000183359 [0,2,0,0,0,0|1,0,1]=4 4713 B10R0.44 CNC(=O)CC(=O)C=C(C)I 1458a_100025716642_100000183359 [0,2,0,0,0,0|1,0,1]=4 4714 B10R0.44 COC(=O)CC(=O)C=C(C)C 1458a_100000211388_100000747449 [0,2,0,0,0,0|1,0,1]=4 4715 B10R0.44 COC(=O)CC(=O)C=C(C)Cl 1458a_200042562850_100000747449 [0,2,0,0,0,0|1,0,1]=4 4716 B10R0.44 COC(=O)CC(=O)C=C(C)I 1458a_100025716642_100000747449 [0,2,0,0,0,0|1,0,1]=4 4717 B10R0.44 C[C@@H](CO)CC(=O)C=C(Cl)Cl 1458a_100000137448_100000059175 [0,2,0,0,0,0|2,0,0]=4 4718 B10R0.81 C=C(C)C(=O)C(C)CCCC 1458a_100000185857_200011215066 [0,2,0,0,0,0|1,0,1]=4 4719 B10R0.81 C=C(C)C(=O)N(C)CCCC 11a_100000207549_100000185857 [0,2,0,0,0,0|2,0,0]=4 4720 B10R0.81 C=C(C)C(=O)N(C)CCCC 1626a_100000207549_100000185857 [0,2,0,0,0,0|2,0,0]=4 4721 B10R0.81 CCCCC(=O)C(=O)N(C)C 1458a_100011218876_100000210211 [0,2,0,0,0,0|1,0,0]=3 4722 B10R0.81 CCCCC(=O)C(C)C(=O)C 1458a_100000210183_100000179758 [0,2,0,0,0,0|0,0,1]=3 4723 B10R0.81 CCCCC(=O)C(C)C(=O)N 1458a_100000210183_100000702099 [0,2,0,0,0,0|1,0,1]=4 4724 B10R0.81 CCCCC(=O)C(C)C(C)C 1458a_100000755409_100000210211 [0,2,0,0,0,0|0,0,2]=4 4725 B10R0.81 CCCCC(=O)C(F)C(=O)N 1458a_100000210183_100009813875 [0,2,0,0,0,0|1,0,1]=4 4726 B10R0.81 CCCCC(=O)C(F)C(=O)[O-] 1458a_100000210183_100020610796 [0,2,0,0,0,0|1,0,1]=4 4727 B10R0.81 CCCCC(=O)N(C)C(C)C 11a_200000211004_100000210183 [0,2,0,0,0,0|1,0,1]=4 4728 B10R0.81 CCCCC(=O)N(C)C(C)C 1626a_200000211004_100000210183 [0,2,0,0,0,0|1,0,1]=4 4729 B10R0.81 CCCCC(=O)N(C)C(C)C 240690a_200000211004_100000210183 [0,2,0,0,0,0|1,0,1]=4 4730 B10R0.81 CCCCC(=O)N(C)C(C)C 527a_200000211004_100000210183 [0,2,0,0,0,0|1,0,1]=4 4731 B10R0.81 CCCCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000210211 [0,2,0,0,0,0|1,0,1]=4 4732 B10R0.81 CCCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210211 [0,2,0,0,0,0|0,0,2]=4 4733 B10R0.81 CCCNC(=O)C(=C(Cl)Cl)Cl 11a_100020643023_100000031907 [0,2,0,0,0,0|2,0,0]=4 4734 B10R0.81 CCCNC(=O)C(=C(Cl)Cl)Cl 1626a_100020643023_100000031907 [0,2,0,0,0,0|2,0,0]=4 4735 B10R0.81 CCCNC(=O)C(=C(Cl)Cl)Cl 240690a_100020643023_100000031907 [0,2,0,0,0,0|2,0,0]=4 4736 B10R0.81 CCCNC(=O)C(=O)C(C)C 1458a_200011297150_100000210206 [0,2,0,0,0,0|1,0,1]=4 4737 B10R0.81 CCCNC(=O)C(=O)N(C)C 1626a_100020643023_100011218876 [0,2,0,0,0,0|2,0,0]=4 4738 B10R0.81 CCCNC(=O)C(=O)N(C)C 1626a_100102631434_200011297150 [0,2,0,0,0,0|2,0,0]=4 4739 B10R0.81 CCCNC(=O)C(=O)N(C)C 240690a_100020643023_100011218876 [0,2,0,0,0,0|2,0,0]=4 4740 B10R0.81 CCCNC(=O)C(=O)N(C)C 240690a_100102631434_200011297150 [0,2,0,0,0,0|2,0,0]=4 4741 B10R0.81 CCCNC(=O)C(=O)N(C)C 527a_100020643023_100011218876 [0,2,0,0,0,0|2,0,0]=4 4742 B10R0.81 CCCNC(=O)C(=O)N(C)C 527a_100102631434_200011297150 [0,2,0,0,0,0|2,0,0]=4 4743 B10R0.81 CCCNC(=O)C(C)C(=O)C 1458a_100000070787_100000230305 [0,2,0,0,0,0|1,0,1]=4 4744 B10R0.81 CCCOC(=O)C(C)C(=O)C 1458a_100000070787_100000760410 [0,2,0,0,0,0|1,0,1]=4 4745 B10R0.81 CCOCC(=O)C(C)C(=O)C 1458a_100000211967_100000179758 [0,2,0,0,0,0|1,0,1]=4 4746 B10R0.81 CCSCC(=O)C(C)C(=O)C 1458a_100000230394_100000179758 [0,2,0,0,0,0|1,0,1]=4 4747 B10R0.81 CN(C)C(=O)C(=O)CCCF 1458a_100011218876_100011934791 [0,2,0,0,0,0|2,0,0]=4 4748 B10R0.81 CN(C)C(=O)C(=O)CCCO 1458a_100011218876_100011215043 [0,2,0,0,0,0|2,0,0]=4 4749 B10R0.81 COCCC(=O)C(=O)N(C)C 1458a_100011218876_100000233755 [0,2,0,0,0,0|2,0,0]=4 4750 B10R0.81 COCCC(=O)C(C)C(=O)C 1458a_100000749529_100000179758 [0,2,0,0,0,0|1,0,1]=4 4751 B10R0.81 CSCCC(=O)C(=O)N(C)C 1458a_100011218876_100000751147 [0,2,0,0,0,0|2,0,0]=4 4752 B10R0.81 CSCCC(=O)C(C)C(=O)C 1458a_100000174002_100000179758 [0,2,0,0,0,0|1,0,1]=4 4753 B10R0.96 C=C(C)CC(=O)CCC(C)C 1458a_100000181311_100000748629 [0,2,0,0,0,0|0,0,1]=3 4754 B10R0.96 C=C(C)CC(=O)CC[S+](C)C 1458a_100009452791_100000748629 [0,2,0,0,0,0|1,0,1]=4 4755 B10R0.96 C=C(C)CC(=O)COC(C)C 1458a_100000745533_100000748629 [0,2,0,0,0,0|1,0,1]=4 4756 B10R0.96 C=C(C)CC(=O)CSC(C)C 1458a_100000241585_100000748629 [0,2,0,0,0,0|1,0,1]=4 4757 B10R0.96 C=C(C)CCC(=O)C=C(C)C 1458a_100000211388_100000730704 [0,2,0,0,0,0|0,0,1]=3 4758 B10R0.96 C=C(C)CCC(=O)C=C(C)Cl 1458a_200042562850_100000730704 [0,2,0,0,0,0|0,0,1]=3 4759 B10R0.96 C=C(C)CCC(=O)C=C(C)I 1458a_100025716642_100000730704 [0,2,0,0,0,0|0,0,1]=3 4760 B10R0.96 C=C(C)CCC(=O)C=C(Cl)Cl 1458a_100000137448_100000730704 [0,2,0,0,0,0|1,0,1]=4 4761 B10R0.96 C=C(C)CCC(=O)CC(=C)C 1458a_200000688413_100000748629 [0,2,0,0,0,0|0,0,2]=4 4762 B10R0.96 C=C(C)CNC(=O)C=C(C)C 11a_100000765925_100000211388 [0,2,0,0,0,0|1,0,1]=4 4763 B10R0.96 C=C(C)CNC(=O)C=C(C)C 1626a_100000765925_100000211388 [0,2,0,0,0,0|1,0,1]=4 4764 B10R0.96 C=C(C)CNC(=O)C=C(C)C 240690a_100000765925_100000211388 [0,2,0,0,0,0|1,0,1]=4 4765 B10R0.96 C=C(C)CNC(=O)C=C(C)Cl 11a_100000765925_200042562850 [0,2,0,0,0,0|1,0,1]=4 4766 B10R0.96 C=C(C)CNC(=O)C=C(C)Cl 1626a_100000765925_200042562850 [0,2,0,0,0,0|1,0,1]=4 4767 B10R0.96 C=C(C)CNC(=O)C=C(C)Cl 240690a_100000765925_200042562850 [0,2,0,0,0,0|1,0,1]=4 4768 B10R0.96 C=C(C)CNC(=O)C=C(C)I 11a_100000765925_100025716642 [0,2,0,0,0,0|1,0,1]=4 4769 B10R0.96 C=C(C)CNC(=O)C=C(C)I 1626a_100000765925_100025716642 [0,2,0,0,0,0|1,0,1]=4 4770 B10R0.96 C=C(F)CC(=O)CCC(C)C 1458a_100000181311_100009893438 [0,2,0,0,0,0|0,0,2]=4 4771 B10R0.96 CC(=CC(=O)CCC(C)C)C 1458a_100000211388_100000210312 [0,2,0,0,0,0|0,0,0]=2 4772 B10R0.96 CC(=CC(=O)CCC(C)C)Cl 1458a_200042562850_100000210312 [0,2,0,0,0,0|0,0,0]=2 4773 B10R0.96 CC(=CC(=O)CCC(C)C)I 1458a_100025716642_100000210312 [0,2,0,0,0,0|0,0,0]=2 4774 B10R0.96 CC(=CC(=O)CCC(C)O)C 1458a_100000211388_100012276601 [0,2,0,0,0,0|0,0,0]=2 4775 B10R0.96 CC(=CC(=O)CCC(C)O)Cl 1458a_200042562850_100012276601 [0,2,0,0,0,0|0,0,0]=2 4776 B10R0.96 CC(=CC(=O)CCC(C)O)I 1458a_100025716642_100012276601 [0,2,0,0,0,0|0,0,0]=2 4777 B10R0.96 CC(=CC(=O)NCC(C)C)C 11a_100000210953_100000211388 [0,2,0,0,0,0|1,0,0]=3 4778 B10R0.96 CC(=CC(=O)NCC(C)C)C 1626a_100000210953_100000211388 [0,2,0,0,0,0|1,0,0]=3 4779 B10R0.96 CC(=CC(=O)NCC(C)C)C 240690a_100000210953_100000211388 [0,2,0,0,0,0|1,0,0]=3 4780 B10R0.96 CC(=CC(=O)NCC(C)C)Cl 11a_100000210953_200042562850 [0,2,0,0,0,0|1,0,0]=3 4781 B10R0.96 CC(=CC(=O)NCC(C)C)Cl 1626a_100000210953_200042562850 [0,2,0,0,0,0|1,0,0]=3 4782 B10R0.96 CC(=CC(=O)NCC(C)C)Cl 240690a_100000210953_200042562850 [0,2,0,0,0,0|1,0,0]=3 4783 B10R0.96 CC(=CC(=O)NCC(C)C)I 11a_100000210953_100025716642 [0,2,0,0,0,0|1,0,0]=3 4784 B10R0.96 CC(=CC(=O)NCC(C)C)I 1626a_100000210953_100025716642 [0,2,0,0,0,0|1,0,0]=3 4785 B10R0.96 CC(=CC(=O)NCC(C)O)C 11a_100000210904_100000211388 [0,2,0,0,0,0|1,0,0]=3 4786 B10R0.96 CC(=CC(=O)NCC(C)O)C 240690a_100000210904_100000211388 [0,2,0,0,0,0|1,0,0]=3 4787 B10R0.96 CC(=CC(=O)NCC(C)O)Cl 11a_100000210904_200042562850 [0,2,0,0,0,0|1,0,0]=3 4788 B10R0.96 CC(=CC(=O)NCC(C)O)Cl 240690a_100000210904_200042562850 [0,2,0,0,0,0|1,0,0]=3 4789 B10R0.96 CC(=CC(=O)NCC(C)O)I 11a_100000210904_100025716642 [0,2,0,0,0,0|1,0,0]=3 4790 B10R0.96 CC(=CC(=O)NCC(F)F)C 11a_100000765723_100000211388 [0,2,0,0,0,0|2,0,0]=4 4791 B10R0.96 CC(=CC(=O)NCC(F)F)C 1626a_100000765723_100000211388 [0,2,0,0,0,0|2,0,0]=4 4792 B10R0.96 CC(=CC(=O)NCC(F)F)C 240690a_100000765723_100000211388 [0,2,0,0,0,0|2,0,0]=4 4793 B10R0.96 CC(=CC(=O)NCC(F)F)Cl 11a_100000765723_200042562850 [0,2,0,0,0,0|2,0,0]=4 4794 B10R0.96 CC(=CC(=O)NCC(F)F)Cl 1626a_100000765723_200042562850 [0,2,0,0,0,0|2,0,0]=4 4795 B10R0.96 CC(=CC(=O)NCC(F)F)Cl 240690a_100000765723_200042562850 [0,2,0,0,0,0|2,0,0]=4 4796 B10R0.96 CC(=CC(=O)NCC(F)F)I 11a_100000765723_100025716642 [0,2,0,0,0,0|2,0,0]=4 4797 B10R0.96 CC(=CC(=O)NCC(F)F)I 1626a_100000765723_100025716642 [0,2,0,0,0,0|2,0,0]=4 4798 B10R0.96 CC(=CC(=O)NNC(C)C)C 22a_100000741168_100000211388 [0,2,0,0,0,0|2,0,0]=4 4799 B10R0.96 CC(=CC(=O)NNC(C)C)Cl 22a_100000741168_200042562850 [0,2,0,0,0,0|2,0,0]=4 4800 B10R0.96 CC(=CCC(=O)C=C(C)C)C 1458a_100000211388_100000761012 [0,2,0,0,0,0|0,0,2]=4 4801 B10R0.96 CC(=CCC(=O)C=C(C)Cl)C 1458a_200042562850_100000761012 [0,2,0,0,0,0|0,0,2]=4 4802 B10R0.96 CC(=CCC(=O)C=C(C)I)C 1458a_100025716642_100000761012 [0,2,0,0,0,0|0,0,2]=4 4803 B10R0.96 CC(=O)CC(=O)NCC(C)C 1458a_100000070787_100000183291 [0,2,0,0,0,0|1,0,1]=4 4804 B10R0.96 CC(=O)NC(=O)CSC(C)C 62a_100000210206_100000183797 [0,2,0,0,0,0|2,0,0]=4 4805 B10R0.96 CC(C)CC(=O)CCC(C)O 1458a_100000210554_100012276601 [0,2,0,0,0,0|0,0,2]=4 4806 B10R0.96 CC(C)CCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210312 [0,2,0,0,0,0|1,0,0]=3 4807 B10R0.96 CC(C)CCC(=O)CC(=O)N 1458a_100000181311_100000187820 [0,2,0,0,0,0|1,0,1]=4 4808 B10R0.96 CC(C)CCC(=O)CC(=O)N 1458a_100134613110_100000210312 [0,2,0,0,0,0|1,0,1]=4 4809 B10R0.96 CC(C)CCC(=O)CC(=O)[O-] 1458a_100000181311_100020667443 [0,2,0,0,0,0|1,0,1]=4 4810 B10R0.96 CC(C)CCC(=O)CC(C)C 1458a_100000181311_100000210624 [0,2,0,0,0,0|0,0,2]=4 4811 B10R0.96 CC(C)CCC(=O)CC(C)C 1458a_100000210554_100000210312 [0,2,0,0,0,0|0,0,2]=4 4812 B10R0.96 CC(C)CCC(=O)CC(C)O 1458a_100000181311_100011218427 [0,2,0,0,0,0|0,0,2]=4 4813 B10R0.96 CC(C)CCC(=O)CN(C)C 1458a_100000750896_100000210312 [0,2,0,0,0,0|1,0,1]=4 4814 B10R0.96 CC(C)CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210312 [0,2,0,0,0,0|0,0,2]=4 4815 B10R0.96 CC(C)CCC(=O)C[S+](C)C 1458a_200159257847_100000210312 [0,2,0,0,0,0|1,0,1]=4 4816 B10R0.96 CC(C)CCC(=O)NC(C)C 11a_100138425928_100000181311 [0,2,0,0,0,0|1,0,1]=4 4817 B10R0.96 CC(C)CCC(=O)NC(C)C 1626a_100138425928_100000181311 [0,2,0,0,0,0|1,0,1]=4 4818 B10R0.96 CC(C)CCC(=O)NC(C)C 240690a_100138425928_100000181311 [0,2,0,0,0,0|1,0,1]=4 4819 B10R0.96 CC(C)CCC(=O)NC(C)C 527a_100138425928_100000181311 [0,2,0,0,0,0|1,0,1]=4 4820 B10R0.96 CC(C)CNC(=O)C=C(Cl)Cl 1626a_100000210953_100000137448 [0,2,0,0,0,0|2,0,0]=4 4821 B10R0.96 CC(C)CNC(=O)C=C(Cl)Cl 240690a_100000210953_100000137448 [0,2,0,0,0,0|2,0,0]=4 4822 B10R0.96 CC(O)CCC(=O)C=C(Cl)Cl 1458a_100000137448_100012276601 [0,2,0,0,0,0|1,0,0]=3 4823 B10R0.96 CC(O)CCC(=O)CC(=O)N 1458a_100134613110_100012276601 [0,2,0,0,0,0|1,0,1]=4 4824 B10R0.96 CC(O)CCC(=O)CN(C)C 1458a_100000750896_100012276601 [0,2,0,0,0,0|1,0,1]=4 4825 B10R0.96 CC(O)CCC(=O)C[C@@H](C)O 1458a_100011933948_100012276601 [0,2,0,0,0,0|0,0,2]=4 4826 B10R0.96 CC(O)CCC(=O)C[S+](C)C 1458a_200159257847_100012276601 [0,2,0,0,0,0|1,0,1]=4 4827 B10R0.96 CC(O)CCC(=O)NC(C)C 1626a_100138425928_100000718519 [0,2,0,0,0,0|1,0,1]=4 4828 B10R0.96 CC(O)CNC(=O)C=C(Cl)Cl 240690a_100000210904_100000137448 [0,2,0,0,0,0|2,0,0]=4 4829 B10R0.122 CCCCS(=O)(=O)NC(=O)C 2740a_100000178431_100015343762 [0,2,0,0,0,0|2,0,0]=4 4830 B10R0.1 C#CCCCCC(=O)C#CC 1458a_100000763181_100010269958 [0,2,0,0,0,0|0,0,2]=4 4831 B10R0.1 C#CCCCCC(=O)C=CBr 1458a_100016273825_100010269958 [0,2,0,0,0,0|1,0,0]=3 4832 B10R0.1 C#CCCCCC(=O)C=CC 1458a_100000210699_100010269958 [0,2,0,0,0,0|0,0,0]=2 4833 B10R0.1 C#CCCCCC(=O)C=CCl 1458a_200016279998_100010269958 [0,2,0,0,0,0|1,0,0]=3 4834 B10R0.1 C#CCCCCC(=O)C=CI 1458a_100016256311_100010269958 [0,2,0,0,0,0|1,0,0]=3 4835 B10R0.1 C#CCCCCC(=O)CC=C 1458a_100000210193_100010269958 [0,2,0,0,0,0|0,0,2]=4 4836 B10R0.1 C#CCCCCC(=O)CC=C 1458a_100000696528_100000210623 [0,2,0,0,0,0|0,0,2]=4 4837 B10R0.1 C#CCCCCC(=O)CCC 1458a_100000211992_100010269958 [0,2,0,0,0,0|0,0,2]=4 4838 B10R0.1 C#CCCCCC(=O)CCC 1458a_100000696528_100000210303 [0,2,0,0,0,0|0,0,2]=4 4839 B10R0.1 C#CCCCCC(=O)COC 1458a_100000210968_100010269958 [0,2,0,0,0,0|1,0,1]=4 4840 B10R0.1 C#CCCCCC(=O)CSC 1458a_100000184570_100010269958 [0,2,0,0,0,0|1,0,1]=4 4841 B10R0.1 C#CCCCCC(=O)NCC 11a_100015525214_100000696528 [0,2,0,0,0,0|1,0,1]=4 4842 B10R0.1 C#CCCCCC(=O)NCC 240690a_100015525214_100000696528 [0,2,0,0,0,0|1,0,1]=4 4843 B10R0.1 C#CCCCCC(=O)NCC 527a_100015525214_100000696528 [0,2,0,0,0,0|1,0,1]=4 4844 B10R0.1 C#CCCCCC(=O)NNC 22a_100016993582_100000696528 [0,2,0,0,0,0|2,0,0]=4 4845 B10R0.1 C#CCCCNC(=O)C=CBr 1626a_100000718082_100016273825 [0,2,0,0,0,0|1,0,1]=4 4846 B10R0.1 C#CCCCNC(=O)C=CBr 240690a_100000718082_100016273825 [0,2,0,0,0,0|1,0,1]=4 4847 B10R0.1 C#CCCCNC(=O)C=CC 11a_100000718082_100000210699 [0,2,0,0,0,0|0,0,1]=3 4848 B10R0.1 C#CCCCNC(=O)C=CC 1626a_100000718082_100000210699 [0,2,0,0,0,0|0,0,1]=3 4849 B10R0.1 C#CCCCNC(=O)C=CC 240690a_100000718082_100000210699 [0,2,0,0,0,0|0,0,1]=3 4850 B10R0.1 C#CCCCNC(=O)C=CCl 11a_100000718082_200016279998 [0,2,0,0,0,0|1,0,1]=4 4851 B10R0.1 C#CCCCNC(=O)C=CCl 1626a_100000718082_200016279998 [0,2,0,0,0,0|1,0,1]=4 4852 B10R0.1 C#CCCCNC(=O)C=CCl 240690a_100000718082_200016279998 [0,2,0,0,0,0|1,0,1]=4 4853 B10R0.1 C#CCCCNC(=O)C=CI 1626a_100000718082_100016256311 [0,2,0,0,0,0|1,0,1]=4 4854 B10R0.1 C#CCOCCC(=O)C=CBr 1458a_100016273825_100010402529 [0,2,0,0,0,0|1,0,1]=4 4855 B10R0.1 C#CCOCCC(=O)C=CC 1458a_100000210699_100010402529 [0,2,0,0,0,0|0,0,1]=3 4856 B10R0.1 C#CCOCCC(=O)C=CCl 1458a_200016279998_100010402529 [0,2,0,0,0,0|1,0,1]=4 4857 B10R0.1 C#CCOCCC(=O)C=CI 1458a_100016256311_100010402529 [0,2,0,0,0,0|1,0,1]=4 4858 B10R0.1 C/C=C/C(C)OCCCCC 34a_200102604097_100000718602 [0,2,0,0,0,0|1,0,1]=4 4859 B10R0.1 C/C=C/C(C)OCCCCF 34a_200102604097_100000729493 [0,2,0,0,0,0|1,0,1]=4 4860 B10R0.1 C/C=C/C(C)OCCCCO 34a_200102604097_100011216708 [0,2,0,0,0,0|1,0,1]=4 4861 B10R0.1 C/C=C/C(C)OCCCOC 34a_200102604097_100000740836 [0,2,0,0,0,0|1,0,1]=4 4862 B10R0.1 C/C=C/C(C)OCCOCC 34a_200102604097_100000210147 [0,2,0,0,0,0|1,0,1]=4 4863 B10R0.1 C/C=C/C(C)OCCSCC 34a_200102604097_100000757381 [0,2,0,0,0,0|1,0,1]=4 4864 B10R0.1 C=CCC(=O)C/C=C/CCC 1458a_200016266809_100000210623 [0,2,0,0,0,0|0,0,2]=4 4865 B10R0.1 C=CCC(=O)C=CCCCC 1458a_100016266645_100000210623 [0,2,0,0,0,0|0,0,2]=4 4866 B10R0.1 C=CCC(=O)CC/C=C\CC 1458a_100000210193_100015370543 [0,2,0,0,0,0|0,0,2]=4 4867 B10R0.1 C=CCC(=O)CCCCC#N 1458a_100000210193_100000211819 [0,2,0,0,0,0|0,0,2]=4 4868 B10R0.1 C=CCC(=O)CCCCCC 1458a_100000210193_100000210757 [0,2,0,0,0,0|0,0,2]=4 4869 B10R0.1 C=CCC(=O)CCCCCC 1458a_100102632555_100000210623 [0,2,0,0,0,0|0,0,2]=4 4870 B10R0.1 C=CCC(=O)CCCCCF 1458a_100000210193_100000729378 [0,2,0,0,0,0|0,0,2]=4 4871 B10R0.1 C=CCC(=O)CCCCCO 1458a_100000210193_100000746330 [0,2,0,0,0,0|0,0,2]=4 4872 B10R0.1 C=CCC(=O)CCCCCO 1458a_100102619762_100000210623 [0,2,0,0,0,0|0,0,2]=4 4873 B10R0.1 C=CCC(=O)CCCCOC 1458a_100000210193_100000755781 [0,2,0,0,0,0|0,0,2]=4 4874 B10R0.1 C=CCC(=O)CCCOCC 1458a_100000210193_100012232248 [0,2,0,0,0,0|0,0,2]=4 4875 B10R0.1 C=CCC(=O)CCOCCC 1458a_100000210193_100011215938 [0,2,0,0,0,0|0,0,2]=4 4876 B10R0.1 C=CCC(=O)CCOCCO 1458a_100000210193_100011215305 [0,2,0,0,0,0|0,0,2]=4 4877 B10R0.1 C=CCC(=O)CCOCCO 1458a_100011229844_100000210623 [0,2,0,0,0,0|0,0,2]=4 4878 B10R0.1 C=CCC(=O)COCCCC 1458a_100000210193_100011995733 [0,2,0,0,0,0|0,0,2]=4 4879 B10R0.1 C=CCC(=O)COCCCC 1458a_100000757543_100000210623 [0,2,0,0,0,0|0,0,2]=4 4880 B10R0.1 C=CCC(=O)COCCOC 1458a_100000211095_100000210623 [0,2,0,0,0,0|0,0,2]=4 4881 B10R0.1 C=CCC(=O)CSCCCC 1458a_100000191162_100000210623 [0,2,0,0,0,0|0,0,2]=4 4882 B10R0.1 C=CCC(=O)NCCCCC 11a_100000209983_100000210193 [0,2,0,0,0,0|0,0,2]=4 4883 B10R0.1 C=CCC(=O)NCCCCC 1626a_100000209983_100000210193 [0,2,0,0,0,0|0,0,2]=4 4884 B10R0.1 C=CCC(=O)NCCCCC 240690a_100000209983_100000210193 [0,2,0,0,0,0|0,0,2]=4 4885 B10R0.1 C=CCC(=O)NCCCCC 527a_100000209983_100000210193 [0,2,0,0,0,0|0,0,2]=4 4886 B10R0.1 C=CCC(=O)NCCCCO 240690a_100000750430_100000210193 [0,2,0,0,0,0|0,0,2]=4 4887 B10R0.1 C=CCC(=O)NCCCCO 527a_100000750430_100000210193 [0,2,0,0,0,0|0,0,2]=4 4888 B10R0.1 C=CCC(=O)NCCCOC 1626a_100150723488_100000210193 [0,2,0,0,0,0|0,0,2]=4 4889 B10R0.1 C=CCC(=O)NCCCOC 240690a_100150723488_100000210193 [0,2,0,0,0,0|0,0,2]=4 4890 B10R0.1 C=CCC(=O)NCCCOC 527a_100150723488_100000210193 [0,2,0,0,0,0|0,0,2]=4 4891 B10R0.1 C=CCC(=O)NCCCSC 11a_100000749238_100000210193 [0,2,0,0,0,0|0,0,2]=4 4892 B10R0.1 C=CCC(=O)NCCCSC 1626a_100000749238_100000210193 [0,2,0,0,0,0|0,0,2]=4 4893 B10R0.1 C=CCC(=O)NCCCSC 240690a_100000749238_100000210193 [0,2,0,0,0,0|0,0,2]=4 4894 B10R0.1 C=CCC(=O)NCCCSC 527a_100000749238_100000210193 [0,2,0,0,0,0|0,0,2]=4 4895 B10R0.1 C=CCC(=O)NCCOCC 11a_100011200944_100000210193 [0,2,0,0,0,0|0,0,2]=4 4896 B10R0.1 C=CCC(=O)NCCOCC 1626a_102516460346_100000210193 [0,2,0,0,0,0|0,0,2]=4 4897 B10R0.1 C=CCC(=O)NCCOCC 240690a_100011200944_100000210193 [0,2,0,0,0,0|0,0,2]=4 4898 B10R0.1 C=CCC(=O)NCCOCC 527a_100011200944_100000210193 [0,2,0,0,0,0|0,0,2]=4 4899 B10R0.1 C=CCC(=O)NCCSCC 11a_100000106463_100000210193 [0,2,0,0,0,0|0,0,2]=4 4900 B10R0.1 C=CCC(=O)NCCSCC 1626a_100000106463_100000210193 [0,2,0,0,0,0|0,0,2]=4 4901 B10R0.1 C=CCC(=O)NCCSCC 240690a_100000106463_100000210193 [0,2,0,0,0,0|0,0,2]=4 4902 B10R0.1 C=CCC(=O)NCCSCC 527a_100000106463_100000210193 [0,2,0,0,0,0|0,0,2]=4 4903 B10R0.1 C=CCC(=O)NNCCCC 22a_100025702795_100000210193 [0,2,0,0,0,0|0,0,2]=4 4904 B10R0.1 C=CCCCCC(=O)C#CC 1458a_100000763181_100011215482 [0,2,0,0,0,0|0,0,2]=4 4905 B10R0.1 C=CCCCCC(=O)C=CBr 1458a_100016273825_100011215482 [0,2,0,0,0,0|1,0,0]=3 4906 B10R0.1 C=CCCCCC(=O)C=CC 1458a_100000210699_100011215482 [0,2,0,0,0,0|0,0,0]=2 4907 B10R0.1 C=CCCCCC(=O)C=CCl 1458a_200016279998_100011215482 [0,2,0,0,0,0|1,0,0]=3 4908 B10R0.1 C=CCCCCC(=O)C=CI 1458a_100016256311_100011215482 [0,2,0,0,0,0|1,0,0]=3 4909 B10R0.1 C=CCCCCC(=O)CC=C 1458a_100000210193_100011215482 [0,2,0,0,0,0|0,0,2]=4 4910 B10R0.1 C=CCCCCC(=O)CC=C 1458a_100011215552_100000210623 [0,2,0,0,0,0|0,0,2]=4 4911 B10R0.1 C=CCCCCC(=O)CCC 1458a_100000211992_100011215482 [0,2,0,0,0,0|0,0,2]=4 4912 B10R0.1 C=CCCCCC(=O)CCC 1458a_100011215552_100000210303 [0,2,0,0,0,0|0,0,2]=4 4913 B10R0.1 C=CCCCCC(=O)COC 1458a_100000210968_100011215482 [0,2,0,0,0,0|1,0,1]=4 4914 B10R0.1 C=CCCCCC(=O)CSC 1458a_100000184570_100011215482 [0,2,0,0,0,0|1,0,1]=4 4915 B10R0.1 C=CCCCCC(=O)NCC 11a_100015525214_100011215552 [0,2,0,0,0,0|1,0,1]=4 4916 B10R0.1 C=CCCCCC(=O)NCC 240690a_100015525214_100011215552 [0,2,0,0,0,0|1,0,1]=4 4917 B10R0.1 C=CCCCCC(=O)NCC 527a_100015525214_100011215552 [0,2,0,0,0,0|1,0,1]=4 4918 B10R0.1 C=CCCCCC(=O)NNC 22a_100016993582_100011215552 [0,2,0,0,0,0|2,0,0]=4 4919 B10R0.1 C=CCCCNC(=O)C=CBr 1626a_100000700776_100016273825 [0,2,0,0,0,0|1,0,1]=4 4920 B10R0.1 C=CCCCNC(=O)C=CBr 240690a_100000700776_100016273825 [0,2,0,0,0,0|1,0,1]=4 4921 B10R0.1 C=CCCCNC(=O)C=CC 11a_100000700776_100000210699 [0,2,0,0,0,0|0,0,1]=3 4922 B10R0.1 C=CCCCNC(=O)C=CC 1626a_100000700776_100000210699 [0,2,0,0,0,0|0,0,1]=3 4923 B10R0.1 C=CCCCNC(=O)C=CC 240690a_100000700776_100000210699 [0,2,0,0,0,0|0,0,1]=3 4924 B10R0.1 C=CCCCNC(=O)C=CCl 11a_100000700776_200016279998 [0,2,0,0,0,0|1,0,1]=4 4925 B10R0.1 C=CCCCNC(=O)C=CCl 1626a_100000700776_200016279998 [0,2,0,0,0,0|1,0,1]=4 4926 B10R0.1 C=CCCCNC(=O)C=CCl 240690a_100000700776_200016279998 [0,2,0,0,0,0|1,0,1]=4 4927 B10R0.1 C=CCCCNC(=O)C=CI 1626a_100000700776_100016256311 [0,2,0,0,0,0|1,0,1]=4 4928 B10R0.1 C=COC(=O)CNCCCC 2230a_100000102301_100000036128 [0,2,0,0,0,0|1,0,1]=4 4929 B10R0.1 C=COC(=O)CNCCCF 2230a_100015189416_100000036128 [0,2,0,0,0,0|1,0,1]=4 4930 B10R0.1 C=COC(=O)CNCCCF 34a_100015189416_100000036128 [0,2,0,0,0,0|1,0,1]=4 4931 B10R0.1 C=COC(=O)CNCCOC 2230a_100000209980_100000036128 [0,2,0,0,0,0|1,0,1]=4 4932 B10R0.1 C=COC(=O)CNCCSC 2230a_100020590264_100000036128 [0,2,0,0,0,0|1,0,1]=4 4933 B10R0.1 C=COC(=O)COCCCBr 34a_100011217188_100000036128 [0,2,0,0,0,0|1,0,1]=4 4934 B10R0.1 C=COC(=O)COCCCC 34a_100000210227_100000036128 [0,2,0,0,0,0|1,0,1]=4 4935 B10R0.1 C=COC(=O)COCCCCl 34a_100000230001_100000036128 [0,2,0,0,0,0|1,0,1]=4 4936 B10R0.1 C=COC(=O)COCCCF 34a_100000759539_100000036128 [0,2,0,0,0,0|1,0,1]=4 4937 B10R0.1 C=COC(=O)COCCCN 34a_100000182051_100000036128 [0,2,0,0,0,0|1,0,1]=4 4938 B10R0.1 C=COC(=O)COCCOC 34a_100000210237_100000036128 [0,2,0,0,0,0|1,0,1]=4 4939 B10R0.1 C=COC(=O)COCCSC 34a_100000230434_100000036128 [0,2,0,0,0,0|1,0,1]=4 4940 B10R0.1 C=COC(=O)CSCCCC 62a_100000036128_100000210210 [0,2,0,0,0,0|1,0,1]=4 4941 B10R0.1 C=COC(=O)CSCCCC 62a_100000210211_100000036128 [0,2,0,0,0,0|1,0,1]=4 4942 B10R0.1 C=COC(=O)CSCCCF 62a_100000036128_100011934791 [0,2,0,0,0,0|1,0,1]=4 4943 B10R0.1 C=COC(=O)CSCCCF 62a_100011934791_100000036128 [0,2,0,0,0,0|1,0,1]=4 4944 B10R0.1 C=COC(=O)CSCCCO 62a_100000036128_100011215043 [0,2,0,0,0,0|1,0,1]=4 4945 B10R0.1 C=COC(=O)CSCCCO 62a_100011215043_100000036128 [0,2,0,0,0,0|1,0,1]=4 4946 B10R0.1 C=COC(=O)CSCCOC 62a_100000036128_100000233755 [0,2,0,0,0,0|1,0,1]=4 4947 B10R0.1 C=COC(=O)CSCCOC 62a_100000233755_100000036128 [0,2,0,0,0,0|1,0,1]=4 4948 B10R0.1 C=COC(=O)CSCCSC 62a_100000036128_100000751147 [0,2,0,0,0,0|1,0,1]=4 4949 B10R0.1 C=COC(=O)CSCCSC 62a_100000212216_100000036128 [0,2,0,0,0,0|1,0,1]=4 4950 B10R0.1 C=COC(=O)CSCOCC 62a_100000036128_100000739092 [0,2,0,0,0,0|1,0,1]=4 4951 B10R0.1 C=COC(=O)CSCOCC 62a_100000739092_100000036128 [0,2,0,0,0,0|1,0,1]=4 4952 B10R0.1 CC#CC(=O)CC/C=C\CC 1458a_100000763181_100015370543 [0,2,0,0,0,0|0,0,2]=4 4953 B10R0.1 CC#CC(=O)CCCCC#N 1458a_100000763181_100000211819 [0,2,0,0,0,0|0,0,2]=4 4954 B10R0.1 CC#CC(=O)CCCCCC 1458a_100000763181_100000210757 [0,2,0,0,0,0|0,0,2]=4 4955 B10R0.1 CC#CC(=O)CCCCCF 1458a_100000763181_100000729378 [0,2,0,0,0,0|0,0,2]=4 4956 B10R0.1 CC#CC(=O)CCCCCO 1458a_100000763181_100000746330 [0,2,0,0,0,0|0,0,2]=4 4957 B10R0.1 CC#CC(=O)CCCCOC 1458a_100000763181_100000755781 [0,2,0,0,0,0|0,0,2]=4 4958 B10R0.1 CC#CC(=O)CCCOCC 1458a_100000763181_100012232248 [0,2,0,0,0,0|0,0,2]=4 4959 B10R0.1 CC#CC(=O)CCOCCC 1458a_100000763181_100011215938 [0,2,0,0,0,0|0,0,2]=4 4960 B10R0.1 CC#CC(=O)CCOCCO 1458a_100000763181_100011215305 [0,2,0,0,0,0|0,0,2]=4 4961 B10R0.1 CC#CC(=O)COCCCC 1458a_100000763181_100011995733 [0,2,0,0,0,0|0,0,2]=4 4962 B10R0.1 CC#CC(=O)NNCCCC 22a_100025702795_100000763181 [0,2,0,0,0,0|0,0,2]=4 4963 B10R0.1 CC/C=C\CCC(=O)C=CBr 1458a_100016273825_100015370543 [0,2,0,0,0,0|1,0,0]=3 4964 B10R0.1 CC/C=C\CCC(=O)C=CCl 1458a_200016279998_100015370543 [0,2,0,0,0,0|1,0,0]=3 4965 B10R0.1 CC/C=C\CCC(=O)C=CI 1458a_100016256311_100015370543 [0,2,0,0,0,0|1,0,0]=3 4966 B10R0.1 CC/C=C\CCC(=O)CCC 1458a_100000211992_100015370543 [0,2,0,0,0,0|0,0,2]=4 4967 B10R0.1 CC/C=C\CCC(=O)COC 1458a_100000210968_100015370543 [0,2,0,0,0,0|1,0,1]=4 4968 B10R0.1 CC/C=C\CCC(=O)CSC 1458a_100000184570_100015370543 [0,2,0,0,0,0|1,0,1]=4 4969 B10R0.1 CC=CC(=NNCCCC)C 4a_100025702795_100011218416 [0,2,0,0,0,0|1,0,0]=3 4970 B10R0.1 CC=CC(=O)CC/C=C\CC 1458a_100000210699_100015370543 [0,2,0,0,0,0|0,0,0]=2 4971 B10R0.1 CC=CC(=O)CCCCC#N 1458a_100000210699_100000211819 [0,2,0,0,0,0|0,0,0]=2 4972 B10R0.1 CC=CC(=O)CCCCCC 1458a_100000210699_100000210757 [0,2,0,0,0,0|0,0,0]=2 4973 B10R0.1 CC=CC(=O)CCCCCF 1458a_100000210699_100000729378 [0,2,0,0,0,0|0,0,0]=2 4974 B10R0.1 CC=CC(=O)CCCCCO 1458a_100000210699_100000746330 [0,2,0,0,0,0|0,0,0]=2 4975 B10R0.1 CC=CC(=O)CCCCOC 1458a_100000210699_100000755781 [0,2,0,0,0,0|0,0,0]=2 4976 B10R0.1 CC=CC(=O)CCCOCC 1458a_100000210699_100012232248 [0,2,0,0,0,0|0,0,0]=2 4977 B10R0.1 CC=CC(=O)CCOCC#N 1458a_100000210699_200000047693 [0,2,0,0,0,0|0,0,1]=3 4978 B10R0.1 CC=CC(=O)CCOCCC 1458a_100000210699_100011215938 [0,2,0,0,0,0|0,0,0]=2 4979 B10R0.1 CC=CC(=O)CCOCCO 1458a_100000210699_100011215305 [0,2,0,0,0,0|0,0,0]=2 4980 B10R0.1 CC=CC(=O)COCCCC 1458a_100000210699_100011995733 [0,2,0,0,0,0|0,0,0]=2 4981 B10R0.1 CC=CC(=O)NCCCCC 11a_100000209983_100000210699 [0,2,0,0,0,0|0,0,0]=2 4982 B10R0.1 CC=CC(=O)NCCCCC 1626a_100000209983_100000210699 [0,2,0,0,0,0|0,0,0]=2 4983 B10R0.1 CC=CC(=O)NCCCCC 240690a_100000209983_100000210699 [0,2,0,0,0,0|0,0,0]=2 4984 B10R0.1 CC=CC(=O)NCCCCO 240690a_100000750430_100000210699 [0,2,0,0,0,0|0,0,0]=2 4985 B10R0.1 CC=CC(=O)NCCCOC 1626a_100150723488_100000210699 [0,2,0,0,0,0|0,0,0]=2 4986 B10R0.1 CC=CC(=O)NCCCOC 240690a_100150723488_100000210699 [0,2,0,0,0,0|0,0,0]=2 4987 B10R0.1 CC=CC(=O)NCCCSC 11a_100000749238_100000210699 [0,2,0,0,0,0|0,0,0]=2 4988 B10R0.1 CC=CC(=O)NCCCSC 1626a_100000749238_100000210699 [0,2,0,0,0,0|0,0,0]=2 4989 B10R0.1 CC=CC(=O)NCCCSC 240690a_100000749238_100000210699 [0,2,0,0,0,0|0,0,0]=2 4990 B10R0.1 CC=CC(=O)NCCOCC 11a_100011200944_100000210699 [0,2,0,0,0,0|0,0,0]=2 4991 B10R0.1 CC=CC(=O)NCCOCC 1626a_102516460346_100000210699 [0,2,0,0,0,0|0,0,0]=2 4992 B10R0.1 CC=CC(=O)NCCOCC 240690a_100011200944_100000210699 [0,2,0,0,0,0|0,0,0]=2 4993 B10R0.1 CC=CC(=O)NCCSCC 11a_100000106463_100000210699 [0,2,0,0,0,0|0,0,0]=2 4994 B10R0.1 CC=CC(=O)NCCSCC 1626a_100000106463_100000210699 [0,2,0,0,0,0|0,0,0]=2 4995 B10R0.1 CC=CC(=O)NCCSCC 240690a_100000106463_100000210699 [0,2,0,0,0,0|0,0,0]=2 4996 B10R0.1 CC=CC(=O)NNCCC#N 22a_100000229987_100000210699 [0,2,0,0,0,0|1,0,1]=4 4997 B10R0.1 CC=CC(=O)NNCCCC 22a_100025702795_100000210699 [0,2,0,0,0,0|0,0,0]=2 4998 B10R0.1 CC=CC(=O)NNCCOC 22a_100000741390_100000210699 [0,2,0,0,0,0|1,0,0]=3 4999 B10R0.1 CCC/C=C/CC(=O)CCC 1458a_200016266809_100000210303 [0,2,0,0,0,0|0,0,2]=4 5000 B10R0.1 CCC/C=C/CC(=O)NCC 11a_100015525214_200016266809 [0,2,0,0,0,0|1,0,1]=4 5001 B10R0.1 CCC/C=C/CC(=O)NCC 240690a_100015525214_200016266809 [0,2,0,0,0,0|1,0,1]=4 5002 B10R0.1 CCC/C=C/CC(=O)NCC 527a_100015525214_200016266809 [0,2,0,0,0,0|1,0,1]=4 5003 B10R0.1 CCC/C=C/CC(=O)NNC 22a_100016993582_200016266809 [0,2,0,0,0,0|2,0,0]=4 5004 B10R0.1 CCCC(=O)CCCCC#N 1458a_100000211992_100000211819 [0,2,0,0,0,0|0,0,2]=4 5005 B10R0.1 CCCC(=O)CCCCCF 1458a_100000211992_100000729378 [0,2,0,0,0,0|0,0,2]=4 5006 B10R0.1 CCCC(=O)CCCCCO 1458a_100000211992_100000746330 [0,2,0,0,0,0|0,0,2]=4 5007 B10R0.1 CCCC(=O)CCCCCO 1458a_100102619762_100000210303 [0,2,0,0,0,0|0,0,2]=4 5008 B10R0.1 CCCC(=O)CCCCOC 1458a_100000211992_100000755781 [0,2,0,0,0,0|0,0,2]=4 5009 B10R0.1 CCCC(=O)CCCOCC 1458a_100000211992_100012232248 [0,2,0,0,0,0|0,0,2]=4 5010 B10R0.1 CCCC(=O)CCOCCO 1458a_100000211992_100011215305 [0,2,0,0,0,0|0,0,2]=4 5011 B10R0.1 CCCC(=O)CCOCCO 1458a_100011229844_100000210303 [0,2,0,0,0,0|0,0,2]=4 5012 B10R0.1 CCCC(=O)CNCCCF 2230a_100015189416_100000747444 [0,2,0,0,0,0|0,0,2]=4 5013 B10R0.1 CCCC(=O)CNCCOC 2230a_100000209980_100000747444 [0,2,0,0,0,0|0,0,2]=4 5014 B10R0.1 CCCC(=O)CNCCSC 2230a_100020590264_100000747444 [0,2,0,0,0,0|0,0,2]=4 5015 B10R0.1 CCCC(=O)COCCOC 1458a_100000211095_100000210303 [0,2,0,0,0,0|0,0,2]=4 5016 B10R0.1 CCCC(=O)COCCSC 7a_100000230434_100000747444 [0,2,0,0,0,0|0,0,2]=4 5017 B10R0.1 CCCC(=O)CSCCCF 62a_100000747444_100011934791 [0,2,0,0,0,0|0,0,2]=4 5018 B10R0.1 CCCC(=O)CSCCCF 62a_100011934791_100000747444 [0,2,0,0,0,0|0,0,2]=4 5019 B10R0.1 CCCC(=O)CSCCCO 62a_100000747444_100011215043 [0,2,0,0,0,0|0,0,2]=4 5020 B10R0.1 CCCC(=O)CSCCCO 62a_100011215043_100000747444 [0,2,0,0,0,0|0,0,2]=4 5021 B10R0.1 CCCC(=O)CSCCOC 62a_100000233755_100000747444 [0,2,0,0,0,0|0,0,2]=4 5022 B10R0.1 CCCC(=O)CSCCOC 62a_100000747444_100000233755 [0,2,0,0,0,0|0,0,2]=4 5023 B10R0.1 CCCC(=O)CSCCSC 62a_100000212216_100000747444 [0,2,0,0,0,0|0,0,2]=4 5024 B10R0.1 CCCC(=O)CSCCSC 62a_100000747444_100000751147 [0,2,0,0,0,0|0,0,2]=4 5025 B10R0.1 CCCC(=O)CSCOCC 62a_100000739092_100000747444 [0,2,0,0,0,0|0,0,2]=4 5026 B10R0.1 CCCC(=O)CSCOCC 62a_100000747444_100000739092 [0,2,0,0,0,0|0,0,2]=4 5027 B10R0.1 CCCC(=O)NCCCCO 240690a_100000750430_100000211992 [0,2,0,0,0,0|0,0,2]=4 5028 B10R0.1 CCCC(=O)NCCCCO 527a_100000750430_100000211992 [0,2,0,0,0,0|0,0,2]=4 5029 B10R0.1 CCCC(=O)NCCCOC 1626a_100150723488_100000211992 [0,2,0,0,0,0|0,0,2]=4 5030 B10R0.1 CCCC(=O)NCCCOC 240690a_100150723488_100000211992 [0,2,0,0,0,0|0,0,2]=4 5031 B10R0.1 CCCC(=O)NCCCOC 527a_100150723488_100000211992 [0,2,0,0,0,0|0,0,2]=4 5032 B10R0.1 CCCC(=O)NCCCSC 11a_100000749238_100000211992 [0,2,0,0,0,0|0,0,2]=4 5033 B10R0.1 CCCC(=O)NCCCSC 1626a_100000749238_100000211992 [0,2,0,0,0,0|0,0,2]=4 5034 B10R0.1 CCCC(=O)NCCCSC 240690a_100000749238_100000211992 [0,2,0,0,0,0|0,0,2]=4 5035 B10R0.1 CCCC(=O)NCCCSC 527a_100000749238_100000211992 [0,2,0,0,0,0|0,0,2]=4 5036 B10R0.1 CCCC(=O)NCCOCC 11a_100011200944_100000211992 [0,2,0,0,0,0|0,0,2]=4 5037 B10R0.1 CCCC(=O)NCCOCC 1626a_102516460346_100000211992 [0,2,0,0,0,0|0,0,2]=4 5038 B10R0.1 CCCC(=O)NCCOCC 240690a_100011200944_100000211992 [0,2,0,0,0,0|0,0,2]=4 5039 B10R0.1 CCCC(=O)NCCOCC 527a_100011200944_100000211992 [0,2,0,0,0,0|0,0,2]=4 5040 B10R0.1 CCCC(=O)NCCSCC 11a_100000106463_100000211992 [0,2,0,0,0,0|0,0,2]=4 5041 B10R0.1 CCCC(=O)NCCSCC 1626a_100000106463_100000211992 [0,2,0,0,0,0|0,0,2]=4 5042 B10R0.1 CCCC(=O)NCCSCC 240690a_100000106463_100000211992 [0,2,0,0,0,0|0,0,2]=4 5043 B10R0.1 CCCC(=O)NCCSCC 527a_100000106463_100000211992 [0,2,0,0,0,0|0,0,2]=4 5044 B10R0.1 CCCCC=CC(=O)CCC 1458a_100016266645_100000210303 [0,2,0,0,0,0|0,0,2]=4 5045 B10R0.1 CCCCC=CC(=O)NCC 11a_100015525214_100016266645 [0,2,0,0,0,0|1,0,1]=4 5046 B10R0.1 CCCCC=CC(=O)NCC 240690a_100015525214_100016266645 [0,2,0,0,0,0|1,0,1]=4 5047 B10R0.1 CCCCC=CC(=O)NNC 22a_100016993582_100016266645 [0,2,0,0,0,0|2,0,0]=4 5048 B10R0.1 CCCCCCC(=O)C=CBr 1458a_100016273825_100000210757 [0,2,0,0,0,0|1,0,0]=3 5049 B10R0.1 CCCCCCC(=O)C=CCl 1458a_200016279998_100000210757 [0,2,0,0,0,0|1,0,0]=3 5050 B10R0.1 CCCCCCC(=O)C=CI 1458a_100016256311_100000210757 [0,2,0,0,0,0|1,0,0]=3 5051 B10R0.1 CCCCCCC(=O)CCC 1458a_100000211992_100000210757 [0,2,0,0,0,0|0,0,2]=4 5052 B10R0.1 CCCCCCC(=O)CCC 1458a_100102632555_100000210303 [0,2,0,0,0,0|0,0,2]=4 5053 B10R0.1 CCCCCCC(=O)COC 1458a_100000210968_100000210757 [0,2,0,0,0,0|1,0,1]=4 5054 B10R0.1 CCCCCCC(=O)CSC 1458a_100000184570_100000210757 [0,2,0,0,0,0|1,0,1]=4 5055 B10R0.1 CCCCCCC(=O)NCC 11a_100015525214_100102632555 [0,2,0,0,0,0|1,0,1]=4 5056 B10R0.1 CCCCCCC(=O)NCC 240690a_100015525214_100102632555 [0,2,0,0,0,0|1,0,1]=4 5057 B10R0.1 CCCCCCC(=O)NCC 527a_100015525214_100102632555 [0,2,0,0,0,0|1,0,1]=4 5058 B10R0.1 CCCCCCC(=O)NNC 22a_100016993582_100102632555 [0,2,0,0,0,0|2,0,0]=4 5059 B10R0.1 CCCCCNC(=O)C=CBr 1626a_100000209983_100016273825 [0,2,0,0,0,0|1,0,0]=3 5060 B10R0.1 CCCCCNC(=O)C=CBr 240690a_100000209983_100016273825 [0,2,0,0,0,0|1,0,0]=3 5061 B10R0.1 CCCCCNC(=O)C=CCl 11a_100000209983_200016279998 [0,2,0,0,0,0|1,0,0]=3 5062 B10R0.1 CCCCCNC(=O)C=CCl 1626a_100000209983_200016279998 [0,2,0,0,0,0|1,0,0]=3 5063 B10R0.1 CCCCCNC(=O)C=CCl 240690a_100000209983_200016279998 [0,2,0,0,0,0|1,0,0]=3 5064 B10R0.1 CCCCCNC(=O)C=CI 1626a_100000209983_100016256311 [0,2,0,0,0,0|1,0,0]=3 5065 B10R0.1 CCCCCNC(=O)CCC 11a_100000209983_100000211992 [0,2,0,0,0,0|0,0,2]=4 5066 B10R0.1 CCCCCNC(=O)CCC 1626a_100000209983_100000211992 [0,2,0,0,0,0|0,0,2]=4 5067 B10R0.1 CCCCCNC(=O)CCC 240690a_100000209983_100000211992 [0,2,0,0,0,0|0,0,2]=4 5068 B10R0.1 CCCCCNC(=O)CCC 527a_100000209983_100000211992 [0,2,0,0,0,0|0,0,2]=4 5069 B10R0.1 CCCCCNC(=O)CNC 2230a_106832991635_100000230301 [0,2,0,0,0,0|1,0,1]=4 5070 B10R0.1 CCCCCNC(=O)CNC 34a_100102657272_100000230301 [0,2,0,0,0,0|1,0,1]=4 5071 B10R0.1 CCCCCNC(=O)CNC 7a_106832991635_100000230301 [0,2,0,0,0,0|1,0,1]=4 5072 B10R0.1 CCCCCNC(=O)COC 11a_100000209983_100000210968 [0,2,0,0,0,0|1,0,1]=4 5073 B10R0.1 CCCCCNC(=O)COC 1626a_100000209983_100000210968 [0,2,0,0,0,0|1,0,1]=4 5074 B10R0.1 CCCCCNC(=O)COC 240690a_100000209983_100000210968 [0,2,0,0,0,0|1,0,1]=4 5075 B10R0.1 CCCCCNC(=O)COC 34a_100138415774_100000230301 [0,2,0,0,0,0|1,0,1]=4 5076 B10R0.1 CCCCCNC(=O)COC 527a_100000209983_100000210968 [0,2,0,0,0,0|1,0,1]=4 5077 B10R0.1 CCCCCNC(=O)CSC 11a_100000209983_100000184570 [0,2,0,0,0,0|1,0,1]=4 5078 B10R0.1 CCCCCNC(=O)CSC 1626a_100000209983_100000184570 [0,2,0,0,0,0|1,0,1]=4 5079 B10R0.1 CCCCCNC(=O)CSC 240690a_100000209983_100000184570 [0,2,0,0,0,0|1,0,1]=4 5080 B10R0.1 CCCCCNC(=O)CSC 527a_100000209983_100000184570 [0,2,0,0,0,0|1,0,1]=4 5081 B10R0.1 CCCCCNC(=O)CSC 62a_100000230301_200000210301 [0,2,0,0,0,0|1,0,1]=4 5082 B10R0.1 CCCCCNC(=O)CSC 62a_200000210301_100000230301 [0,2,0,0,0,0|1,0,1]=4 5083 B10R0.1 CCCCCNC(=O)CS[13CH3] 62a_100000230301_200025704644 [0,2,0,0,0,0|1,0,1]=4 5084 B10R0.1 CCCCCNC(=O)CS[13CH3] 62a_200025704644_100000230301 [0,2,0,0,0,0|1,0,1]=4 5085 B10R0.1 CCCCCNC(=O)NCC 2708a_100000209983_100015525214 [0,2,0,0,0,0|1,0,1]=4 5086 B10R0.1 CCCCCNC(=O)NCC 2708a_100015525214_100000209983 [0,2,0,0,0,0|1,0,1]=4 5087 B10R0.1 CCCCCNC(=O)NCC 273464a_100000209983_100015525214 [0,2,0,0,0,0|1,0,1]=4 5088 B10R0.1 CCCCCNC(=O)NCC 273464a_100015525214_100000209983 [0,2,0,0,0,0|1,0,1]=4 5089 B10R0.1 CCCCCNC(=O)NCC 512a_100000209983_100015525214 [0,2,0,0,0,0|1,0,1]=4 5090 B10R0.1 CCCCCNC(=O)NCC 512a_100015525214_100000209983 [0,2,0,0,0,0|1,0,1]=4 5091 B10R0.1 CCCCCNC(=O)NNC 273464a_100000209983_100016993582 [0,2,0,0,0,0|2,0,0]=4 5092 B10R0.1 CCCCCNC(=O)NNC 512a_100000209983_100016993582 [0,2,0,0,0,0|2,0,0]=4 5093 B10R0.1 CCCCCNC(=O)NNC 512a_100016993582_100000209983 [0,2,0,0,0,0|2,0,0]=4 5094 B10R0.1 CCCCNCC(=O)CCC 2230a_100000102301_100000747444 [0,2,0,0,0,0|0,0,2]=4 5095 B10R0.1 CCCCNCC(=O)CCC 7a_106832991798_100000747444 [0,2,0,0,0,0|0,0,2]=4 5096 B10R0.1 CCCCNCC(=O)NCC 2230a_100000102301_100000183381 [0,2,0,0,0,0|1,0,1]=4 5097 B10R0.1 CCCCNCC(=O)NCC 2230a_100016988866_100000210211 [0,2,0,0,0,0|1,0,1]=4 5098 B10R0.1 CCCCNCC(=O)NCC 7a_106832991798_100000183381 [0,2,0,0,0,0|1,0,1]=4 5099 B10R0.1 CCCCNCC(=O)OCC 2230a_100000102301_100000188475 [0,2,0,0,0,0|1,0,1]=4 5100 B10R0.1 CCCCNCC(=O)OCC 7a_106832991798_100000188475 [0,2,0,0,0,0|1,0,1]=4 5101 B10R0.1 CCCCNNC(=O)CCC 22a_100025702795_100000211992 [0,2,0,0,0,0|0,0,2]=4 5102 B10R0.1 CCCCNNC(=O)COC 22a_100025702795_100000210968 [0,2,0,0,0,0|1,0,1]=4 5103 B10R0.1 CCCCNNC(=O)CSC 22a_100025702795_100000184570 [0,2,0,0,0,0|1,0,1]=4 5104 B10R0.1 CCCCNNC(=O)NCC 273464a_100015525214_100025702795 [0,2,0,0,0,0|1,0,1]=4 5105 B10R0.1 CCCCNNC(=O)NCC 512a_100015525214_100025702795 [0,2,0,0,0,0|1,0,1]=4 5106 B10R0.1 CCCCNNC(=O)NCC 512a_100025702795_100015525214 [0,2,0,0,0,0|1,0,1]=4 5107 B10R0.1 CCCCNNC(=O)NNC 512a_100016993582_100025702795 [0,2,0,0,0,0|2,0,0]=4 5108 B10R0.1 CCCCNNC(=O)NNC 512a_100025702795_100016993582 [0,2,0,0,0,0|2,0,0]=4 5109 B10R0.1 CCCCOCC(=O)C=CBr 1458a_100016273825_100011995733 [0,2,0,0,0,0|1,0,0]=3 5110 B10R0.1 CCCCOCC(=O)C=CCl 1458a_200016279998_100011995733 [0,2,0,0,0,0|1,0,0]=3 5111 B10R0.1 CCCCOCC(=O)C=CI 1458a_100016256311_100011995733 [0,2,0,0,0,0|1,0,0]=3 5112 B10R0.1 CCCCOCC(=O)CCC 1458a_100000211992_100011995733 [0,2,0,0,0,0|0,0,2]=4 5113 B10R0.1 CCCCOCC(=O)CCC 1458a_100000757543_100000210303 [0,2,0,0,0,0|0,0,2]=4 5114 B10R0.1 CCCCOCC(=O)CCC 7a_100000210227_100000747444 [0,2,0,0,0,0|0,0,2]=4 5115 B10R0.1 CCCCOCC(=O)COC 1458a_100000210968_100011995733 [0,2,0,0,0,0|1,0,1]=4 5116 B10R0.1 CCCCOCC(=O)CSC 1458a_100000184570_100011995733 [0,2,0,0,0,0|1,0,1]=4 5117 B10R0.1 CCCCOCC(=O)NCC 11a_100015525214_100000757543 [0,2,0,0,0,0|1,0,1]=4 5118 B10R0.1 CCCCOCC(=O)NCC 240690a_100015525214_100000757543 [0,2,0,0,0,0|1,0,1]=4 5119 B10R0.1 CCCCOCC(=O)NCC 34a_100000210227_100000183381 [0,2,0,0,0,0|1,0,1]=4 5120 B10R0.1 CCCCOCC(=O)NCC 527a_100015525214_100000757543 [0,2,0,0,0,0|1,0,1]=4 5121 B10R0.1 CCCCOCC(=O)NCC 7a_100000210227_100000183381 [0,2,0,0,0,0|1,0,1]=4 5122 B10R0.1 CCCCOCC(=O)NNC 22a_100016993582_100000757543 [0,2,0,0,0,0|2,0,0]=4 5123 B10R0.1 CCCCOCC(=O)OCC 34a_100000210227_100000188475 [0,2,0,0,0,0|1,0,1]=4 5124 B10R0.1 CCCCOCC(=O)OCC 7a_100000210227_100000188475 [0,2,0,0,0,0|1,0,1]=4 5125 B10R0.1 CCCCSCC(=O)CCC 1458a_100000191162_100000210303 [0,2,0,0,0,0|0,0,2]=4 5126 B10R0.1 CCCCSCC(=O)CCC 62a_100000210211_100000747444 [0,2,0,0,0,0|0,0,2]=4 5127 B10R0.1 CCCCSCC(=O)CCC 62a_100000747444_100000210210 [0,2,0,0,0,0|0,0,2]=4 5128 B10R0.1 CCCCSCC(=O)NCC 11a_100015525214_100000191162 [0,2,0,0,0,0|1,0,1]=4 5129 B10R0.1 CCCCSCC(=O)NCC 240690a_100015525214_100000191162 [0,2,0,0,0,0|1,0,1]=4 5130 B10R0.1 CCCCSCC(=O)NCC 527a_100015525214_100000191162 [0,2,0,0,0,0|1,0,1]=4 5131 B10R0.1 CCCCSCC(=O)NCC 62a_100000183381_100000210210 [0,2,0,0,0,0|1,0,1]=4 5132 B10R0.1 CCCCSCC(=O)NCC 62a_100000210211_100000183381 [0,2,0,0,0,0|1,0,1]=4 5133 B10R0.1 CCCCSCC(=O)NNC 22a_100016993582_100000191162 [0,2,0,0,0,0|2,0,0]=4 5134 B10R0.1 CCCCSCC(=O)OCC 62a_100000188475_100000210210 [0,2,0,0,0,0|1,0,1]=4 5135 B10R0.1 CCCCSCC(=O)OCC 62a_100000210211_100000188475 [0,2,0,0,0,0|1,0,1]=4 5136 B10R0.1 CCCNCCC(=O)NCC 34a_100025743525_100000210303 [0,2,0,0,0,0|1,0,1]=4 5137 B10R0.1 CCCOCCC(=O)C=CBr 1458a_100016273825_100011215938 [0,2,0,0,0,0|1,0,0]=3 5138 B10R0.1 CCCOCCC(=O)C=CCl 1458a_200016279998_100011215938 [0,2,0,0,0,0|1,0,0]=3 5139 B10R0.1 CCCOCCC(=O)C=CI 1458a_100016256311_100011215938 [0,2,0,0,0,0|1,0,0]=3 5140 B10R0.1 CCCOCCC(=O)CCC 1458a_100000211992_100011215938 [0,2,0,0,0,0|0,0,2]=4 5141 B10R0.1 CCCOCCC(=O)COC 1458a_100000210968_100011215938 [0,2,0,0,0,0|1,0,1]=4 5142 B10R0.1 CCCOCCC(=O)CSC 1458a_100000184570_100011215938 [0,2,0,0,0,0|1,0,1]=4 5143 B10R0.1 CCCOCCC(=O)OCC 34a_100000210258_100000765890 [0,2,0,0,0,0|1,0,1]=4 5144 B10R0.1 CCCOCOC(=O)CCC 34a_100000210258_100000034017 [0,2,0,0,0,0|0,0,2]=4 5145 B10R0.1 CCCSCCC(=O)NCC 62a_100000210303_100000737597 [0,2,0,0,0,0|1,0,1]=4 5146 B10R0.1 CCCSCCC(=O)NCC 62a_100000737597_100000210303 [0,2,0,0,0,0|1,0,1]=4 5147 B10R0.1 CCCSCCC(=O)OCC 62a_100000210303_100000765890 [0,2,0,0,0,0|1,0,1]=4 5148 B10R0.1 CCCSCCC(=O)OCC 62a_100000765890_100000210303 [0,2,0,0,0,0|1,0,1]=4 5149 B10R0.1 CCCSCOC(=O)CCC 62a_100000210303_100000034017 [0,2,0,0,0,0|0,0,2]=4 5150 B10R0.1 CCCSCOC(=O)OCC 62a_100000210303_100000075025 [0,2,0,0,0,0|1,0,1]=4 5151 B10R0.1 CCNC(=O)CCCCCO 240690a_100015525214_100102619762 [0,2,0,0,0,0|1,0,1]=4 5152 B10R0.1 CCNC(=O)CCNCCF 34a_100025743525_100011217306 [0,2,0,0,0,0|1,0,1]=4 5153 B10R0.1 CCNC(=O)CCNCCO 2230a_100016997473_100000737597 [0,2,0,0,0,0|1,0,1]=4 5154 B10R0.1 CCNC(=O)CCNCCO 34a_100025743525_100000211926 [0,2,0,0,0,0|1,0,1]=4 5155 B10R0.1 CCNC(=O)CCNCSC 34a_100025743525_100011218213 [0,2,0,0,0,0|1,0,1]=4 5156 B10R0.1 CCNC(=O)CCOCCO 240690a_100015525214_100011229844 [0,2,0,0,0,0|1,0,1]=4 5157 B10R0.1 CCNC(=O)CCSCCF 62a_100000737597_100011217306 [0,2,0,0,0,0|1,0,1]=4 5158 B10R0.1 CCNC(=O)CCSCCF 62a_100011217306_100000737597 [0,2,0,0,0,0|1,0,1]=4 5159 B10R0.1 CCNC(=O)CCSCCO 62a_100000211926_100000737597 [0,2,0,0,0,0|1,0,1]=4 5160 B10R0.1 CCNC(=O)CCSCCO 62a_100000737597_100000211926 [0,2,0,0,0,0|1,0,1]=4 5161 B10R0.1 CCNC(=O)CCSCOC 62a_100000737597_100000766300 [0,2,0,0,0,0|1,0,1]=4 5162 B10R0.1 CCNC(=O)CCSCOC 62a_100000766300_100000737597 [0,2,0,0,0,0|1,0,1]=4 5163 B10R0.1 CCNC(=O)CCSCSC 62a_100000737597_100011218213 [0,2,0,0,0,0|1,0,1]=4 5164 B10R0.1 CCNC(=O)CCSCSC 62a_100011218213_100000737597 [0,2,0,0,0,0|1,0,1]=4 5165 B10R0.1 CCNC(=O)CNCCCF 2230a_100015189416_100000183381 [0,2,0,0,0,0|1,0,1]=4 5166 B10R0.1 CCNC(=O)CNCCCF 2230a_100016988866_100011934791 [0,2,0,0,0,0|1,0,1]=4 5167 B10R0.1 CCNC(=O)CNCCCF 34a_100015189416_100000183381 [0,2,0,0,0,0|1,0,1]=4 5168 B10R0.1 CCNC(=O)CNCCCO 2230a_100016988866_100000230001 [0,2,0,0,0,0|1,0,1]=4 5169 B10R0.1 CCNC(=O)CNCCOC 2230a_100000209980_100000183381 [0,2,0,0,0,0|1,0,1]=4 5170 B10R0.1 CCNC(=O)CNCCOC 2230a_100016988866_100011201679 [0,2,0,0,0,0|1,0,1]=4 5171 B10R0.1 CCNC(=O)CNCCSC 2230a_100016988866_100000751147 [0,2,0,0,0,0|1,0,1]=4 5172 B10R0.1 CCNC(=O)CNCCSC 2230a_100020590264_100000183381 [0,2,0,0,0,0|1,0,1]=4 5173 B10R0.1 CCNC(=O)COCCCBr 34a_100011217188_100000183381 [0,2,0,0,0,0|1,0,1]=4 5174 B10R0.1 CCNC(=O)COCCCCl 34a_100000230001_100000183381 [0,2,0,0,0,0|1,0,1]=4 5175 B10R0.1 CCNC(=O)COCCCF 34a_100000759539_100000183381 [0,2,0,0,0,0|1,0,1]=4 5176 B10R0.1 CCNC(=O)COCCCN 34a_100000182051_100000183381 [0,2,0,0,0,0|1,0,1]=4 5177 B10R0.1 CCNC(=O)COCCOC 11a_100015525214_100000211095 [0,2,0,0,0,0|1,0,1]=4 5178 B10R0.1 CCNC(=O)COCCOC 240690a_100015525214_100000211095 [0,2,0,0,0,0|1,0,1]=4 5179 B10R0.1 CCNC(=O)COCCOC 34a_100000210237_100000183381 [0,2,0,0,0,0|1,0,1]=4 5180 B10R0.1 CCNC(=O)COCCOC 527a_100015525214_100000211095 [0,2,0,0,0,0|1,0,1]=4 5181 B10R0.1 CCNC(=O)COCCSC 34a_100000230434_100000183381 [0,2,0,0,0,0|1,0,1]=4 5182 B10R0.1 CCNC(=O)COCCSC 7a_100000230434_100000183381 [0,2,0,0,0,0|1,0,1]=4 5183 B10R0.1 CCNC(=O)CSCCCF 62a_100000183381_100011934791 [0,2,0,0,0,0|1,0,1]=4 5184 B10R0.1 CCNC(=O)CSCCCF 62a_100011934791_100000183381 [0,2,0,0,0,0|1,0,1]=4 5185 B10R0.1 CCNC(=O)CSCCCO 62a_100000183381_100011215043 [0,2,0,0,0,0|1,0,1]=4 5186 B10R0.1 CCNC(=O)CSCCCO 62a_100011215043_100000183381 [0,2,0,0,0,0|1,0,1]=4 5187 B10R0.1 CCNC(=O)CSCCOC 62a_100000183381_100000233755 [0,2,0,0,0,0|1,0,1]=4 5188 B10R0.1 CCNC(=O)CSCCOC 62a_100000233755_100000183381 [0,2,0,0,0,0|1,0,1]=4 5189 B10R0.1 CCNC(=O)CSCCSC 62a_100000183381_100000751147 [0,2,0,0,0,0|1,0,1]=4 5190 B10R0.1 CCNC(=O)CSCCSC 62a_100000212216_100000183381 [0,2,0,0,0,0|1,0,1]=4 5191 B10R0.1 CCNC(=O)CSCOCC 62a_100000183381_100000739092 [0,2,0,0,0,0|1,0,1]=4 5192 B10R0.1 CCNC(=O)CSCOCC 62a_100000739092_100000183381 [0,2,0,0,0,0|1,0,1]=4 5193 B10R0.1 CCNC(=O)NCCCCO 2708a_100000750430_100015525214 [0,2,0,0,0,0|1,0,1]=4 5194 B10R0.1 CCNC(=O)NCCCCO 2708a_100015525214_100000750430 [0,2,0,0,0,0|1,0,1]=4 5195 B10R0.1 CCNC(=O)NCCCCO 273464a_100000750430_100015525214 [0,2,0,0,0,0|1,0,1]=4 5196 B10R0.1 CCNC(=O)NCCCCO 273464a_100015525214_100000750430 [0,2,0,0,0,0|1,0,1]=4 5197 B10R0.1 CCNC(=O)NCCCCO 512a_100000750430_100015525214 [0,2,0,0,0,0|1,0,1]=4 5198 B10R0.1 CCNC(=O)NCCCCO 512a_100015525214_100000750430 [0,2,0,0,0,0|1,0,1]=4 5199 B10R0.1 CCNC(=O)NCCCOC 2708a_100015525214_100150723488 [0,2,0,0,0,0|1,0,1]=4 5200 B10R0.1 CCNC(=O)NCCCOC 2708a_100150723488_100015525214 [0,2,0,0,0,0|1,0,1]=4 5201 B10R0.1 CCNC(=O)NCCCOC 273464a_100015525214_100150723488 [0,2,0,0,0,0|1,0,1]=4 5202 B10R0.1 CCNC(=O)NCCCOC 273464a_100150723488_100015525214 [0,2,0,0,0,0|1,0,1]=4 5203 B10R0.1 CCNC(=O)NCCCOC 512a_100015525214_100150723488 [0,2,0,0,0,0|1,0,1]=4 5204 B10R0.1 CCNC(=O)NCCCSC 2708a_100000749238_100015525214 [0,2,0,0,0,0|1,0,1]=4 5205 B10R0.1 CCNC(=O)NCCCSC 2708a_100015525214_100000749238 [0,2,0,0,0,0|1,0,1]=4 5206 B10R0.1 CCNC(=O)NCCCSC 273464a_100000749238_100015525214 [0,2,0,0,0,0|1,0,1]=4 5207 B10R0.1 CCNC(=O)NCCCSC 273464a_100015525214_100000749238 [0,2,0,0,0,0|1,0,1]=4 5208 B10R0.1 CCNC(=O)NCCCSC 512a_100000749238_100015525214 [0,2,0,0,0,0|1,0,1]=4 5209 B10R0.1 CCNC(=O)NCCCSC 512a_100015525214_100000749238 [0,2,0,0,0,0|1,0,1]=4 5210 B10R0.1 CCNC(=O)NCCOCC 2708a_100011200944_100015525214 [0,2,0,0,0,0|1,0,1]=4 5211 B10R0.1 CCNC(=O)NCCOCC 2708a_100015525214_100011200944 [0,2,0,0,0,0|1,0,1]=4 5212 B10R0.1 CCNC(=O)NCCOCC 273464a_100015525214_102516460346 [0,2,0,0,0,0|1,0,1]=4 5213 B10R0.1 CCNC(=O)NCCOCC 273464a_102516460346_100015525214 [0,2,0,0,0,0|1,0,1]=4 5214 B10R0.1 CCNC(=O)NCCOCC 512a_100011200944_100015525214 [0,2,0,0,0,0|1,0,1]=4 5215 B10R0.1 CCNC(=O)NCCOCC 512a_100015525214_100011200944 [0,2,0,0,0,0|1,0,1]=4 5216 B10R0.1 CCNC(=O)NCCSCC 2708a_100000106463_100015525214 [0,2,0,0,0,0|1,0,1]=4 5217 B10R0.1 CCNC(=O)NCCSCC 2708a_100015525214_100000106463 [0,2,0,0,0,0|1,0,1]=4 5218 B10R0.1 CCNC(=O)NCCSCC 273464a_100000106463_100015525214 [0,2,0,0,0,0|1,0,1]=4 5219 B10R0.1 CCNC(=O)NCCSCC 273464a_100015525214_100000106463 [0,2,0,0,0,0|1,0,1]=4 5220 B10R0.1 CCNC(=O)NCCSCC 512a_100000106463_100015525214 [0,2,0,0,0,0|1,0,1]=4 5221 B10R0.1 CCNC(=O)NCCSCC 512a_100015525214_100000106463 [0,2,0,0,0,0|1,0,1]=4 5222 B10R0.1 CCNCCCC(=O)OCC 2230a_100015525214_100009991533 [0,2,0,0,0,0|1,0,1]=4 5223 B10R0.1 CCOC(=O)CCCCNC 2230a_106832991635_100000750268 [0,2,0,0,0,0|1,0,1]=4 5224 B10R0.1 CCOC(=O)CCCCNC 34a_100102657272_100000750268 [0,2,0,0,0,0|1,0,1]=4 5225 B10R0.1 CCOC(=O)CCCCNC 7a_106832991635_100000750268 [0,2,0,0,0,0|1,0,1]=4 5226 B10R0.1 CCOC(=O)CCCCOC 34a_100138415774_100000750268 [0,2,0,0,0,0|1,0,1]=4 5227 B10R0.1 CCOC(=O)CCCCSC 62a_100000750268_200000210301 [0,2,0,0,0,0|1,0,1]=4 5228 B10R0.1 CCOC(=O)CCCCSC 62a_200000210301_100000750268 [0,2,0,0,0,0|1,0,1]=4 5229 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_100000750268_200025704644 [0,2,0,0,0,0|1,0,1]=4 5230 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_200025704644_100000750268 [0,2,0,0,0,0|1,0,1]=4 5231 B10R0.1 CCOC(=O)CCCOCF 7a_100012001163_100015361967 [0,2,0,0,0,0|1,0,1]=4 5232 B10R0.1 CCOC(=O)CCCSCC 62a_100000210202_100009991533 [0,2,0,0,0,0|1,0,1]=4 5233 B10R0.1 CCOC(=O)CCCSCC 62a_100009991533_100000210202 [0,2,0,0,0,0|1,0,1]=4 5234 B10R0.1 CCOC(=O)CCCSCF 62a_100009991533_100015361967 [0,2,0,0,0,0|1,0,1]=4 5235 B10R0.1 CCOC(=O)CCCSCF 62a_100015361967_100009991533 [0,2,0,0,0,0|1,0,1]=4 5236 B10R0.1 CCOC(=O)CCNCCF 34a_100000724931_100000765890 [0,2,0,0,0,0|1,0,1]=4 5237 B10R0.1 CCOC(=O)CCNCCO 2230a_100016997473_100011206558 [0,2,0,0,0,0|1,0,1]=4 5238 B10R0.1 CCOC(=O)CCNCCO 34a_100016990907_100000765890 [0,2,0,0,0,0|1,0,1]=4 5239 B10R0.1 CCOC(=O)CCOCCBr 34a_100000211926_100000765890 [0,2,0,0,0,0|1,0,1]=4 5240 B10R0.1 CCOC(=O)CCOCCN 34a_100000210304_100000765890 [0,2,0,0,0,0|1,0,1]=4 5241 B10R0.1 CCOC(=O)CCSCCF 62a_100000765890_100011217306 [0,2,0,0,0,0|1,0,1]=4 5242 B10R0.1 CCOC(=O)CCSCCF 62a_100011217306_100000765890 [0,2,0,0,0,0|1,0,1]=4 5243 B10R0.1 CCOC(=O)CCSCCO 62a_100000211926_100000765890 [0,2,0,0,0,0|1,0,1]=4 5244 B10R0.1 CCOC(=O)CCSCCO 62a_100000765890_100000211926 [0,2,0,0,0,0|1,0,1]=4 5245 B10R0.1 CCOC(=O)CCSCOC 62a_100000765890_100000766300 [0,2,0,0,0,0|1,0,1]=4 5246 B10R0.1 CCOC(=O)CCSCOC 62a_100000766300_100000765890 [0,2,0,0,0,0|1,0,1]=4 5247 B10R0.1 CCOC(=O)CCSCSC 62a_100000765890_100011218213 [0,2,0,0,0,0|1,0,1]=4 5248 B10R0.1 CCOC(=O)CCSCSC 62a_100011218213_100000765890 [0,2,0,0,0,0|1,0,1]=4 5249 B10R0.1 CCOC(=O)CNCCCF 2230a_100015189416_100000188475 [0,2,0,0,0,0|1,0,1]=4 5250 B10R0.1 CCOC(=O)CNCCCF 34a_100015189416_100000188475 [0,2,0,0,0,0|1,0,1]=4 5251 B10R0.1 CCOC(=O)CNCCOC 2230a_100000209980_100000188475 [0,2,0,0,0,0|1,0,1]=4 5252 B10R0.1 CCOC(=O)CNCCSC 2230a_100020590264_100000188475 [0,2,0,0,0,0|1,0,1]=4 5253 B10R0.1 CCOC(=O)COCCCBr 34a_100011217188_100000188475 [0,2,0,0,0,0|1,0,1]=4 5254 B10R0.1 CCOC(=O)COCCCCl 34a_100000230001_100000188475 [0,2,0,0,0,0|1,0,1]=4 5255 B10R0.1 CCOC(=O)COCCCF 34a_100000759539_100000188475 [0,2,0,0,0,0|1,0,1]=4 5256 B10R0.1 CCOC(=O)COCCCN 34a_100000182051_100000188475 [0,2,0,0,0,0|1,0,1]=4 5257 B10R0.1 CCOC(=O)COCCNC 2230a_106832991635_100000088970 [0,2,0,0,0,0|1,0,1]=4 5258 B10R0.1 CCOC(=O)COCCNC 34a_100102657272_100000088970 [0,2,0,0,0,0|1,0,1]=4 5259 B10R0.1 CCOC(=O)COCCNC 7a_106832991635_100000088970 [0,2,0,0,0,0|1,0,1]=4 5260 B10R0.1 CCOC(=O)COCCOC 34a_100000210237_100000188475 [0,2,0,0,0,0|1,0,1]=4 5261 B10R0.1 CCOC(=O)COCCOC 34a_100138415774_100000088970 [0,2,0,0,0,0|1,0,1]=4 5262 B10R0.1 CCOC(=O)COCCSC 34a_100000230434_100000188475 [0,2,0,0,0,0|1,0,1]=4 5263 B10R0.1 CCOC(=O)COCCSC 62a_100000088970_200000210301 [0,2,0,0,0,0|1,0,1]=4 5264 B10R0.1 CCOC(=O)COCCSC 62a_200000210301_100000088970 [0,2,0,0,0,0|1,0,1]=4 5265 B10R0.1 CCOC(=O)COCCSC 7a_100000230434_100000188475 [0,2,0,0,0,0|1,0,1]=4 5266 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_100000088970_200025704644 [0,2,0,0,0,0|1,0,1]=4 5267 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_200025704644_100000088970 [0,2,0,0,0,0|1,0,1]=4 5268 B10R0.1 CCOC(=O)CSCCCF 62a_100000188475_100011934791 [0,2,0,0,0,0|1,0,1]=4 5269 B10R0.1 CCOC(=O)CSCCCF 62a_100011934791_100000188475 [0,2,0,0,0,0|1,0,1]=4 5270 B10R0.1 CCOC(=O)CSCCCO 62a_100000188475_100011215043 [0,2,0,0,0,0|1,0,1]=4 5271 B10R0.1 CCOC(=O)CSCCCO 62a_100011215043_100000188475 [0,2,0,0,0,0|1,0,1]=4 5272 B10R0.1 CCOC(=O)CSCCOC 62a_100000188475_100000233755 [0,2,0,0,0,0|1,0,1]=4 5273 B10R0.1 CCOC(=O)CSCCOC 62a_100000233755_100000188475 [0,2,0,0,0,0|1,0,1]=4 5274 B10R0.1 CCOC(=O)CSCCOC 7a_200000230590_200000210301 [0,2,0,0,0,0|1,0,1]=4 5275 B10R0.1 CCOC(=O)CSCCO[13CH3] 7a_200000230590_200025704644 [0,2,0,0,0,0|1,0,1]=4 5276 B10R0.1 CCOC(=O)CSCCSC 62a_100000188475_100000751147 [0,2,0,0,0,0|1,0,1]=4 5277 B10R0.1 CCOC(=O)CSCCSC 62a_100000212216_100000188475 [0,2,0,0,0,0|1,0,1]=4 5278 B10R0.1 CCOC(=O)NCCSCC 62a_100000210202_200011445536 [0,2,0,0,0,0|1,0,1]=4 5279 B10R0.1 CCOCCCC(=O)C=CBr 1458a_100016273825_100012232248 [0,2,0,0,0,0|1,0,0]=3 5280 B10R0.1 CCOCCCC(=O)C=CCl 1458a_200016279998_100012232248 [0,2,0,0,0,0|1,0,0]=3 5281 B10R0.1 CCOCCCC(=O)C=CI 1458a_100016256311_100012232248 [0,2,0,0,0,0|1,0,0]=3 5282 B10R0.1 CCOCCCC(=O)COC 1458a_100000210968_100012232248 [0,2,0,0,0,0|1,0,1]=4 5283 B10R0.1 CCOCCCC(=O)CSC 1458a_100000184570_100012232248 [0,2,0,0,0,0|1,0,1]=4 5284 B10R0.1 CCOCCCC(=O)OCC 34a_100121572206_100009991533 [0,2,0,0,0,0|1,0,1]=4 5285 B10R0.1 CCOCCCC(=O)OCC 7a_100012001163_100000210202 [0,2,0,0,0,0|1,0,1]=4 5286 B10R0.1 CCOCCNC(=O)C=CBr 1626a_102516460346_100016273825 [0,2,0,0,0,0|1,0,0]=3 5287 B10R0.1 CCOCCNC(=O)C=CBr 240690a_100011200944_100016273825 [0,2,0,0,0,0|1,0,0]=3 5288 B10R0.1 CCOCCNC(=O)C=CCl 11a_100011200944_200016279998 [0,2,0,0,0,0|1,0,0]=3 5289 B10R0.1 CCOCCNC(=O)C=CCl 1626a_102516460346_200016279998 [0,2,0,0,0,0|1,0,0]=3 5290 B10R0.1 CCOCCNC(=O)C=CCl 240690a_100011200944_200016279998 [0,2,0,0,0,0|1,0,0]=3 5291 B10R0.1 CCOCCNC(=O)C=CI 1626a_102516460346_100016256311 [0,2,0,0,0,0|1,0,0]=3 5292 B10R0.1 CCOCCNC(=O)COC 11a_100011200944_100000210968 [0,2,0,0,0,0|1,0,1]=4 5293 B10R0.1 CCOCCNC(=O)COC 1626a_102516460346_100000210968 [0,2,0,0,0,0|1,0,1]=4 5294 B10R0.1 CCOCCNC(=O)COC 240690a_100011200944_100000210968 [0,2,0,0,0,0|1,0,1]=4 5295 B10R0.1 CCOCCNC(=O)COC 527a_100011200944_100000210968 [0,2,0,0,0,0|1,0,1]=4 5296 B10R0.1 CCOCCNC(=O)CSC 11a_100011200944_100000184570 [0,2,0,0,0,0|1,0,1]=4 5297 B10R0.1 CCOCCNC(=O)CSC 1626a_102516460346_100000184570 [0,2,0,0,0,0|1,0,1]=4 5298 B10R0.1 CCOCCNC(=O)CSC 240690a_100011200944_100000184570 [0,2,0,0,0,0|1,0,1]=4 5299 B10R0.1 CCOCCNC(=O)CSC 527a_100011200944_100000184570 [0,2,0,0,0,0|1,0,1]=4 5300 B10R0.1 CCOCCNC(=O)NNC 273464a_102516460346_100016993582 [0,2,0,0,0,0|2,0,0]=4 5301 B10R0.1 CCOCCNC(=O)NNC 512a_100011200944_100016993582 [0,2,0,0,0,0|2,0,0]=4 5302 B10R0.1 CCOCCNC(=O)NNC 512a_100016993582_100011200944 [0,2,0,0,0,0|2,0,0]=4 5303 B10R0.1 CCOCCNC(=O)OCC 34a_100000158857_100000210202 [0,2,0,0,0,0|1,0,1]=4 5304 B10R0.1 CCOCCOC(=O)CNC 2230a_106832991635_200000101388 [0,2,0,0,0,0|1,0,1]=4 5305 B10R0.1 CCOCCOC(=O)CNC 34a_100102657272_200000101388 [0,2,0,0,0,0|1,0,1]=4 5306 B10R0.1 CCOCCOC(=O)CNC 7a_106832991635_200000101388 [0,2,0,0,0,0|1,0,1]=4 5307 B10R0.1 CCOCCOC(=O)COC 34a_100138415774_200000101388 [0,2,0,0,0,0|1,0,1]=4 5308 B10R0.1 CCOCCOC(=O)CSC 62a_200000101388_200000210301 [0,2,0,0,0,0|1,0,1]=4 5309 B10R0.1 CCOCCOC(=O)CSC 62a_200000210301_200000101388 [0,2,0,0,0,0|1,0,1]=4 5310 B10R0.1 CCOCCOC(=O)CS[13CH3] 62a_200000101388_200025704644 [0,2,0,0,0,0|1,0,1]=4 5311 B10R0.1 CCOCCOC(=O)CS[13CH3] 62a_200025704644_200000101388 [0,2,0,0,0,0|1,0,1]=4 5312 B10R0.1 CCOCSCC(=O)OCC 62a_100000188475_100000739092 [0,2,0,0,0,0|1,0,1]=4 5313 B10R0.1 CCOCSCC(=O)OCC 62a_100000739092_100000188475 [0,2,0,0,0,0|1,0,1]=4 5314 B10R0.1 CCSCCNC(=O)C=CBr 1626a_100000106463_100016273825 [0,2,0,0,0,0|1,0,0]=3 5315 B10R0.1 CCSCCNC(=O)C=CBr 240690a_100000106463_100016273825 [0,2,0,0,0,0|1,0,0]=3 5316 B10R0.1 CCSCCNC(=O)C=CCl 11a_100000106463_200016279998 [0,2,0,0,0,0|1,0,0]=3 5317 B10R0.1 CCSCCNC(=O)C=CCl 1626a_100000106463_200016279998 [0,2,0,0,0,0|1,0,0]=3 5318 B10R0.1 CCSCCNC(=O)C=CCl 240690a_100000106463_200016279998 [0,2,0,0,0,0|1,0,0]=3 5319 B10R0.1 CCSCCNC(=O)C=CI 1626a_100000106463_100016256311 [0,2,0,0,0,0|1,0,0]=3 5320 B10R0.1 CCSCCNC(=O)COC 11a_100000106463_100000210968 [0,2,0,0,0,0|1,0,1]=4 5321 B10R0.1 CCSCCNC(=O)COC 1626a_100000106463_100000210968 [0,2,0,0,0,0|1,0,1]=4 5322 B10R0.1 CCSCCNC(=O)COC 240690a_100000106463_100000210968 [0,2,0,0,0,0|1,0,1]=4 5323 B10R0.1 CCSCCNC(=O)COC 527a_100000106463_100000210968 [0,2,0,0,0,0|1,0,1]=4 5324 B10R0.1 CCSCCNC(=O)CSC 11a_100000106463_100000184570 [0,2,0,0,0,0|1,0,1]=4 5325 B10R0.1 CCSCCNC(=O)CSC 1626a_100000106463_100000184570 [0,2,0,0,0,0|1,0,1]=4 5326 B10R0.1 CCSCCNC(=O)CSC 240690a_100000106463_100000184570 [0,2,0,0,0,0|1,0,1]=4 5327 B10R0.1 CCSCCNC(=O)CSC 527a_100000106463_100000184570 [0,2,0,0,0,0|1,0,1]=4 5328 B10R0.1 CCSCCNC(=O)NNC 273464a_100000106463_100016993582 [0,2,0,0,0,0|2,0,0]=4 5329 B10R0.1 CCSCCNC(=O)NNC 512a_100000106463_100016993582 [0,2,0,0,0,0|2,0,0]=4 5330 B10R0.1 CCSCCNC(=O)NNC 512a_100016993582_100000106463 [0,2,0,0,0,0|2,0,0]=4 5331 B10R0.1 CNCC(=O)NCCCOC 2230a_106832991635_100000183178 [0,2,0,0,0,0|1,0,1]=4 5332 B10R0.1 CNCC(=O)NCCCOC 34a_100102657272_100000183178 [0,2,0,0,0,0|1,0,1]=4 5333 B10R0.1 CNCC(=O)NCCCOC 7a_106832991635_100000183178 [0,2,0,0,0,0|1,0,1]=4 5334 B10R0.1 CNNC(=O)CCCCCO 22a_100016993582_100102619762 [0,2,0,0,0,0|2,0,0]=4 5335 B10R0.1 CNNC(=O)CCOCCO 22a_100016993582_100011229844 [0,2,0,0,0,0|2,0,0]=4 5336 B10R0.1 CNNC(=O)COCCOC 22a_100016993582_100000211095 [0,2,0,0,0,0|2,0,0]=4 5337 B10R0.1 CNNC(=O)NCCCCO 273464a_100000750430_100016993582 [0,2,0,0,0,0|2,0,0]=4 5338 B10R0.1 CNNC(=O)NCCCCO 512a_100000750430_100016993582 [0,2,0,0,0,0|2,0,0]=4 5339 B10R0.1 CNNC(=O)NCCCCO 512a_100016993582_100000750430 [0,2,0,0,0,0|2,0,0]=4 5340 B10R0.1 CNNC(=O)NCCCOC 273464a_100150723488_100016993582 [0,2,0,0,0,0|2,0,0]=4 5341 B10R0.1 CNNC(=O)NCCCOC 512a_100016993582_100150723488 [0,2,0,0,0,0|2,0,0]=4 5342 B10R0.1 CNNC(=O)NCCCSC 273464a_100000749238_100016993582 [0,2,0,0,0,0|2,0,0]=4 5343 B10R0.1 CNNC(=O)NCCCSC 512a_100000749238_100016993582 [0,2,0,0,0,0|2,0,0]=4 5344 B10R0.1 CNNC(=O)NCCCSC 512a_100016993582_100000749238 [0,2,0,0,0,0|2,0,0]=4 5345 B10R0.1 COCC(=O)CCCCC#N 1458a_100000210968_100000211819 [0,2,0,0,0,0|1,0,1]=4 5346 B10R0.1 COCC(=O)CCCCCF 1458a_100000210968_100000729378 [0,2,0,0,0,0|1,0,1]=4 5347 B10R0.1 COCC(=O)CCCCCO 1458a_100000210968_100000746330 [0,2,0,0,0,0|1,0,1]=4 5348 B10R0.1 COCC(=O)CCOCCO 1458a_100000210968_100011215305 [0,2,0,0,0,0|1,0,1]=4 5349 B10R0.1 COCC(=O)NCCCCO 240690a_100000750430_100000210968 [0,2,0,0,0,0|1,0,1]=4 5350 B10R0.1 COCC(=O)NCCCCO 527a_100000750430_100000210968 [0,2,0,0,0,0|1,0,1]=4 5351 B10R0.1 COCC(=O)NCCCSC 11a_100000749238_100000210968 [0,2,0,0,0,0|1,0,1]=4 5352 B10R0.1 COCC(=O)NCCCSC 1626a_100000749238_100000210968 [0,2,0,0,0,0|1,0,1]=4 5353 B10R0.1 COCC(=O)NCCCSC 240690a_100000749238_100000210968 [0,2,0,0,0,0|1,0,1]=4 5354 B10R0.1 COCC(=O)NCCCSC 527a_100000749238_100000210968 [0,2,0,0,0,0|1,0,1]=4 5355 B10R0.1 COCCCCC(=O)C=CBr 1458a_100016273825_100000755781 [0,2,0,0,0,0|1,0,0]=3 5356 B10R0.1 COCCCCC(=O)C=CCl 1458a_200016279998_100000755781 [0,2,0,0,0,0|1,0,0]=3 5357 B10R0.1 COCCCCC(=O)C=CI 1458a_100016256311_100000755781 [0,2,0,0,0,0|1,0,0]=3 5358 B10R0.1 COCCCCC(=O)COC 1458a_100000210968_100000755781 [0,2,0,0,0,0|1,0,1]=4 5359 B10R0.1 COCCCCC(=O)CSC 1458a_100000184570_100000755781 [0,2,0,0,0,0|1,0,1]=4 5360 B10R0.1 COCCCNC(=O)C=CBr 1626a_100150723488_100016273825 [0,2,0,0,0,0|1,0,0]=3 5361 B10R0.1 COCCCNC(=O)C=CBr 240690a_100150723488_100016273825 [0,2,0,0,0,0|1,0,0]=3 5362 B10R0.1 COCCCNC(=O)C=CCl 1626a_100150723488_200016279998 [0,2,0,0,0,0|1,0,0]=3 5363 B10R0.1 COCCCNC(=O)C=CCl 240690a_100150723488_200016279998 [0,2,0,0,0,0|1,0,0]=3 5364 B10R0.1 COCCCNC(=O)C=CI 1626a_100150723488_100016256311 [0,2,0,0,0,0|1,0,0]=3 5365 B10R0.1 COCCCNC(=O)COC 1626a_100150723488_100000210968 [0,2,0,0,0,0|1,0,1]=4 5366 B10R0.1 COCCCNC(=O)COC 240690a_100150723488_100000210968 [0,2,0,0,0,0|1,0,1]=4 5367 B10R0.1 COCCCNC(=O)COC 34a_100138415774_100000183178 [0,2,0,0,0,0|1,0,1]=4 5368 B10R0.1 COCCCNC(=O)COC 527a_100150723488_100000210968 [0,2,0,0,0,0|1,0,1]=4 5369 B10R0.1 COCCCNC(=O)CSC 1626a_100150723488_100000184570 [0,2,0,0,0,0|1,0,1]=4 5370 B10R0.1 COCCCNC(=O)CSC 240690a_100150723488_100000184570 [0,2,0,0,0,0|1,0,1]=4 5371 B10R0.1 COCCCNC(=O)CSC 527a_100150723488_100000184570 [0,2,0,0,0,0|1,0,1]=4 5372 B10R0.1 COCCCNC(=O)CSC 62a_100000183178_200000210301 [0,2,0,0,0,0|1,0,1]=4 5373 B10R0.1 COCCCNC(=O)CS[13CH3] 62a_100000183178_200025704644 [0,2,0,0,0,0|1,0,1]=4 5374 B10R0.1 CSCC(=O)CCCCC#N 1458a_100000184570_100000211819 [0,2,0,0,0,0|1,0,1]=4 5375 B10R0.1 CSCC(=O)CCCCCF 1458a_100000184570_100000729378 [0,2,0,0,0,0|1,0,1]=4 5376 B10R0.1 CSCC(=O)CCCCCO 1458a_100000184570_100000746330 [0,2,0,0,0,0|1,0,1]=4 5377 B10R0.1 CSCC(=O)CCOCCO 1458a_100000184570_100011215305 [0,2,0,0,0,0|1,0,1]=4 5378 B10R0.1 CSCC(=O)NCCCCO 240690a_100000750430_100000184570 [0,2,0,0,0,0|1,0,1]=4 5379 B10R0.1 CSCC(=O)NCCCCO 527a_100000750430_100000184570 [0,2,0,0,0,0|1,0,1]=4 5380 B10R0.1 CSCCCNC(=O)C=CBr 1626a_100000749238_100016273825 [0,2,0,0,0,0|1,0,0]=3 5381 B10R0.1 CSCCCNC(=O)C=CBr 240690a_100000749238_100016273825 [0,2,0,0,0,0|1,0,0]=3 5382 B10R0.1 CSCCCNC(=O)C=CCl 11a_100000749238_200016279998 [0,2,0,0,0,0|1,0,0]=3 5383 B10R0.1 CSCCCNC(=O)C=CCl 1626a_100000749238_200016279998 [0,2,0,0,0,0|1,0,0]=3 5384 B10R0.1 CSCCCNC(=O)C=CCl 240690a_100000749238_200016279998 [0,2,0,0,0,0|1,0,0]=3 5385 B10R0.1 CSCCCNC(=O)C=CI 1626a_100000749238_100016256311 [0,2,0,0,0,0|1,0,0]=3 5386 B10R0.1 CSCCCNC(=O)CSC 11a_100000749238_100000184570 [0,2,0,0,0,0|1,0,1]=4 5387 B10R0.1 CSCCCNC(=O)CSC 1626a_100000749238_100000184570 [0,2,0,0,0,0|1,0,1]=4 5388 B10R0.1 CSCCCNC(=O)CSC 240690a_100000749238_100000184570 [0,2,0,0,0,0|1,0,1]=4 5389 B10R0.1 CSCCCNC(=O)CSC 527a_100000749238_100000184570 [0,2,0,0,0,0|1,0,1]=4 5390 B10R0.1 N#CCCCCC(=O)C=CBr 1458a_100016273825_100000211819 [0,2,0,0,0,0|1,0,0]=3 5391 B10R0.1 N#CCCCCC(=O)C=CCl 1458a_200016279998_100000211819 [0,2,0,0,0,0|1,0,0]=3 5392 B10R0.1 N#CCCCCC(=O)C=CI 1458a_100016256311_100000211819 [0,2,0,0,0,0|1,0,0]=3 5393 B10R0.1 N#CCOCCC(=O)C=CBr 1458a_100016273825_200000047693 [0,2,0,0,0,0|1,0,1]=4 5394 B10R0.1 N#CCOCCC(=O)C=CCl 1458a_200016279998_200000047693 [0,2,0,0,0,0|1,0,1]=4 5395 B10R0.1 N#CCOCCC(=O)C=CI 1458a_100016256311_200000047693 [0,2,0,0,0,0|1,0,1]=4 5396 B10R0.1 O=C(C=CBr)CCCCCF 1458a_100016273825_100000729378 [0,2,0,0,0,0|1,0,0]=3 5397 B10R0.1 O=C(C=CBr)CCCCCO 1458a_100016273825_100000746330 [0,2,0,0,0,0|1,0,0]=3 5398 B10R0.1 O=C(C=CBr)CCOCCO 1458a_100016273825_100011215305 [0,2,0,0,0,0|1,0,0]=3 5399 B10R0.1 O=C(C=CBr)NCCCCO 240690a_100000750430_100016273825 [0,2,0,0,0,0|1,0,0]=3 5400 B10R0.1 O=C(C=CCl)CCCCCF 1458a_200016279998_100000729378 [0,2,0,0,0,0|1,0,0]=3 5401 B10R0.1 O=C(C=CCl)CCCCCO 1458a_200016279998_100000746330 [0,2,0,0,0,0|1,0,0]=3 5402 B10R0.1 O=C(C=CCl)CCOCCO 1458a_200016279998_100011215305 [0,2,0,0,0,0|1,0,0]=3 5403 B10R0.1 O=C(C=CCl)NCCCCO 240690a_100000750430_200016279998 [0,2,0,0,0,0|1,0,0]=3 5404 B10R0.1 O=C(C=CI)CCCCCF 1458a_100016256311_100000729378 [0,2,0,0,0,0|1,0,0]=3 5405 B10R0.1 O=C(C=CI)CCCCCO 1458a_100016256311_100000746330 [0,2,0,0,0,0|1,0,0]=3 5406 B10R0.1 O=C(C=CI)CCOCCO 1458a_100016256311_100011215305 [0,2,0,0,0,0|1,0,0]=3 5407 B10R0.2 C/C=C/C(C)OC(C)CCC 34a_200102604097_100000766640 [0,2,0,0,0,0|1,0,1]=4 5408 B10R0.2 C=C(CCC)CC(=O)CCC 1458a_100000138376_100000210303 [0,2,0,0,0,0|0,0,2]=4 5409 B10R0.2 C=C(CCC)CC(=O)NCC 11a_100015525214_100000138376 [0,2,0,0,0,0|1,0,1]=4 5410 B10R0.2 C=C(CCC)CC(=O)NCC 240690a_100015525214_100000138376 [0,2,0,0,0,0|1,0,1]=4 5411 B10R0.2 C=C(CCC)CC(=O)NCC 527a_100015525214_100000138376 [0,2,0,0,0,0|1,0,1]=4 5412 B10R0.2 C=C(CCC)CC(=O)NNC 22a_100016993582_100000138376 [0,2,0,0,0,0|2,0,0]=4 5413 B10R0.2 C=CCC(=O)CC(=C)CCC 1458a_100000138376_100000210623 [0,2,0,0,0,0|0,0,2]=4 5414 B10R0.2 C=CCC(=O)CC(=O)CCC 1458a_100000210193_100000747444 [0,2,0,0,0,0|0,0,2]=4 5415 B10R0.2 C=CCC(=O)CC(C)CCC 1458a_100000210193_100011216630 [0,2,0,0,0,0|0,0,2]=4 5416 B10R0.2 C=CCC(=O)CC(C)CCC 1458a_100000748435_100000210623 [0,2,0,0,0,0|0,0,2]=4 5417 B10R0.2 C=CCC(=O)CC(C)SCC 1458a_200011311441_100000210623 [0,2,0,0,0,0|0,0,2]=4 5418 B10R0.2 C=CCC(=O)CS(=O)CCC 1458a_100011387404_100000210623 [0,2,0,0,0,0|0,0,2]=4 5419 B10R0.2 C=CCC(=O)NC(C)CCC 11a_100000741246_100000210193 [0,2,0,0,0,0|0,0,2]=4 5420 B10R0.2 C=CCC(=O)NC(C)CCC 1626a_100000741246_100000210193 [0,2,0,0,0,0|0,0,2]=4 5421 B10R0.2 C=CCC(=O)NC(C)CCC 240690a_100000741246_100000210193 [0,2,0,0,0,0|0,0,2]=4 5422 B10R0.2 C=CCC(=O)NC(C)CCC 527a_100000741246_100000210193 [0,2,0,0,0,0|0,0,2]=4 5423 B10R0.2 C=COC(=O)CC(=O)CCC 1458a_100000211992_100000036128 [0,2,0,0,0,0|1,0,1]=4 5424 B10R0.2 C=COC(=O)CN(C)CCC 2230a_100000747261_100000036128 [0,2,0,0,0,0|1,0,1]=4 5425 B10R0.2 C=COC(=O)CN(C)CCC 269982a_100000747261_100000036128 [0,2,0,0,0,0|1,0,1]=4 5426 B10R0.2 CC#CC(=O)CC(=O)CCC 1458a_100000763181_100000747444 [0,2,0,0,0,0|0,0,2]=4 5427 B10R0.2 CC#CC(=O)CC(C)CCC 1458a_100000763181_100011216630 [0,2,0,0,0,0|0,0,2]=4 5428 B10R0.2 CC=CC(=O)CC(=O)CCC 1458a_100000210699_100000747444 [0,2,0,0,0,0|0,0,0]=2 5429 B10R0.2 CC=CC(=O)CC(=O)NCC 1458a_100000210699_100000183381 [0,2,0,0,0,0|0,0,1]=3 5430 B10R0.2 CC=CC(=O)CC(=O)NCO 1458a_100000210699_100000185155 [0,2,0,0,0,0|1,0,1]=4 5431 B10R0.2 CC=CC(=O)CC(=O)OCC 1458a_100000210699_100000188475 [0,2,0,0,0,0|0,0,1]=3 5432 B10R0.2 CC=CC(=O)CC(C)CCC 1458a_100000210699_100011216630 [0,2,0,0,0,0|0,0,0]=2 5433 B10R0.2 CC=CC(=O)NC(C)CCC 11a_100000741246_100000210699 [0,2,0,0,0,0|0,0,0]=2 5434 B10R0.2 CC=CC(=O)NC(C)CCC 1626a_100000741246_100000210699 [0,2,0,0,0,0|0,0,0]=2 5435 B10R0.2 CC=CC(=O)NC(C)CCC 240690a_100000741246_100000210699 [0,2,0,0,0,0|0,0,0]=2 5436 B10R0.2 CC=CC(=O)N[C@@H](C)CC#N 11a_100016994482_100000210699 [0,2,0,0,0,0|1,0,1]=4 5437 B10R0.2 CC=CC(=O)N[C@@H](C)CC#N 1626a_100016994482_100000210699 [0,2,0,0,0,0|1,0,1]=4 5438 B10R0.2 CC=CC(=O)N[C@@H](C)CC#N 240690a_100016994482_100000210699 [0,2,0,0,0,0|1,0,1]=4 5439 B10R0.2 CC=CC(=O)N[C@H](C)CCO 240690a_100000706166_100000210699 [0,2,0,0,0,0|1,0,0]=3 5440 B10R0.2 CC=CC(=O)N[C@H](C)COC 11a_100000764878_100000210699 [0,2,0,0,0,0|1,0,0]=3 5441 B10R0.2 CC=CC(=O)N[C@H](C)COC 1626a_100000764878_100000210699 [0,2,0,0,0,0|1,0,0]=3 5442 B10R0.2 CC=CC(=O)N[C@H](C)COC 240690a_100000764878_100000210699 [0,2,0,0,0,0|1,0,0]=3 5443 B10R0.2 CCCC(=O)CC(=O)C=CBr 1458a_100016273825_100000747444 [0,2,0,0,0,0|1,0,0]=3 5444 B10R0.2 CCCC(=O)CC(=O)C=CCl 1458a_200016279998_100000747444 [0,2,0,0,0,0|1,0,0]=3 5445 B10R0.2 CCCC(=O)CC(=O)C=CI 1458a_100016256311_100000747444 [0,2,0,0,0,0|1,0,0]=3 5446 B10R0.2 CCCC(=O)CC(=O)CCC 1458a_100000211992_100000747444 [0,2,0,0,0,0|0,0,2]=4 5447 B10R0.2 CCCC(=O)CC(=O)COC 1458a_100000210968_100000747444 [0,2,0,0,0,0|1,0,1]=4 5448 B10R0.2 CCCC(=O)CC(=O)CSC 1458a_100000184570_100000747444 [0,2,0,0,0,0|1,0,1]=4 5449 B10R0.2 CCCC(=O)CC(=O)NCC 1458a_100000211992_100000183381 [0,2,0,0,0,0|1,0,1]=4 5450 B10R0.2 CCCC(=O)CC(=O)OCC 1458a_100000211992_100000188475 [0,2,0,0,0,0|1,0,1]=4 5451 B10R0.2 CCCC(=O)CC(=O)OCC 1458a_100000243816_100000210303 [0,2,0,0,0,0|1,0,1]=4 5452 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000211992_100011216630 [0,2,0,0,0,0|0,0,2]=4 5453 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000748435_100000210303 [0,2,0,0,0,0|0,0,2]=4 5454 B10R0.2 CCCC(=O)CC(C)SCC 1458a_200011311441_100000210303 [0,2,0,0,0,0|0,0,2]=4 5455 B10R0.2 CCCC(=O)CN(C)CCC 2230a_100000747261_100000747444 [0,2,0,0,0,0|0,0,2]=4 5456 B10R0.2 CCCC(=O)CN(C)CCC 269982a_100000747261_100000747444 [0,2,0,0,0,0|0,0,2]=4 5457 B10R0.2 CCCC(=O)CS(=O)CCC 1458a_100011387404_100000210303 [0,2,0,0,0,0|0,0,2]=4 5458 B10R0.2 CCCC(=O)NC(C)CCC 11a_100000741246_100000211992 [0,2,0,0,0,0|0,0,2]=4 5459 B10R0.2 CCCC(=O)NC(C)CCC 1626a_100000741246_100000211992 [0,2,0,0,0,0|0,0,2]=4 5460 B10R0.2 CCCC(=O)NC(C)CCC 240690a_100000741246_100000211992 [0,2,0,0,0,0|0,0,2]=4 5461 B10R0.2 CCCC(=O)NC(C)CCC 527a_100000741246_100000211992 [0,2,0,0,0,0|0,0,2]=4 5462 B10R0.2 CCCC(C)CC(=O)C=CBr 1458a_100016273825_100011216630 [0,2,0,0,0,0|1,0,0]=3 5463 B10R0.2 CCCC(C)CC(=O)C=CCl 1458a_200016279998_100011216630 [0,2,0,0,0,0|1,0,0]=3 5464 B10R0.2 CCCC(C)CC(=O)C=CI 1458a_100016256311_100011216630 [0,2,0,0,0,0|1,0,0]=3 5465 B10R0.2 CCCC(C)CC(=O)COC 1458a_100000210968_100011216630 [0,2,0,0,0,0|1,0,1]=4 5466 B10R0.2 CCCC(C)CC(=O)CSC 1458a_100000184570_100011216630 [0,2,0,0,0,0|1,0,1]=4 5467 B10R0.2 CCCC(C)CC(=O)NCC 11a_100015525214_100000748435 [0,2,0,0,0,0|1,0,1]=4 5468 B10R0.2 CCCC(C)CC(=O)NCC 240690a_100015525214_100000748435 [0,2,0,0,0,0|1,0,1]=4 5469 B10R0.2 CCCC(C)CC(=O)NCC 527a_100015525214_100000748435 [0,2,0,0,0,0|1,0,1]=4 5470 B10R0.2 CCCC(C)CC(=O)NNC 22a_100016993582_100000748435 [0,2,0,0,0,0|2,0,0]=4 5471 B10R0.2 CCCC(C)NC(=O)C=CBr 1626a_100000741246_100016273825 [0,2,0,0,0,0|1,0,0]=3 5472 B10R0.2 CCCC(C)NC(=O)C=CBr 240690a_100000741246_100016273825 [0,2,0,0,0,0|1,0,0]=3 5473 B10R0.2 CCCC(C)NC(=O)C=CCl 11a_100000741246_200016279998 [0,2,0,0,0,0|1,0,0]=3 5474 B10R0.2 CCCC(C)NC(=O)C=CCl 1626a_100000741246_200016279998 [0,2,0,0,0,0|1,0,0]=3 5475 B10R0.2 CCCC(C)NC(=O)C=CCl 240690a_100000741246_200016279998 [0,2,0,0,0,0|1,0,0]=3 5476 B10R0.2 CCCC(C)NC(=O)C=CI 1626a_100000741246_100016256311 [0,2,0,0,0,0|1,0,0]=3 5477 B10R0.2 CCCC(C)NC(=O)COC 11a_100000741246_100000210968 [0,2,0,0,0,0|1,0,1]=4 5478 B10R0.2 CCCC(C)NC(=O)COC 1626a_100000741246_100000210968 [0,2,0,0,0,0|1,0,1]=4 5479 B10R0.2 CCCC(C)NC(=O)COC 240690a_100000741246_100000210968 [0,2,0,0,0,0|1,0,1]=4 5480 B10R0.2 CCCC(C)NC(=O)COC 527a_100000741246_100000210968 [0,2,0,0,0,0|1,0,1]=4 5481 B10R0.2 CCCC(C)NC(=O)CSC 11a_100000741246_100000184570 [0,2,0,0,0,0|1,0,1]=4 5482 B10R0.2 CCCC(C)NC(=O)CSC 1626a_100000741246_100000184570 [0,2,0,0,0,0|1,0,1]=4 5483 B10R0.2 CCCC(C)NC(=O)CSC 240690a_100000741246_100000184570 [0,2,0,0,0,0|1,0,1]=4 5484 B10R0.2 CCCC(C)NC(=O)CSC 527a_100000741246_100000184570 [0,2,0,0,0,0|1,0,1]=4 5485 B10R0.2 CCCC(C)NC(=O)NCC 2708a_100000741246_100015525214 [0,2,0,0,0,0|1,0,1]=4 5486 B10R0.2 CCCC(C)NC(=O)NCC 2708a_100015525214_100000741246 [0,2,0,0,0,0|1,0,1]=4 5487 B10R0.2 CCCC(C)NC(=O)NCC 273464a_100000741246_100015525214 [0,2,0,0,0,0|1,0,1]=4 5488 B10R0.2 CCCC(C)NC(=O)NCC 512a_100000741246_100015525214 [0,2,0,0,0,0|1,0,1]=4 5489 B10R0.2 CCCC(C)NC(=O)NCC 512a_100015525214_100000741246 [0,2,0,0,0,0|1,0,1]=4 5490 B10R0.2 CCCC(C)NC(=O)NNC 273464a_100000741246_100016993582 [0,2,0,0,0,0|2,0,0]=4 5491 B10R0.2 CCCC(C)NC(=O)NNC 512a_100000741246_100016993582 [0,2,0,0,0,0|2,0,0]=4 5492 B10R0.2 CCCC(C)NC(=O)NNC 512a_100016993582_100000741246 [0,2,0,0,0,0|2,0,0]=4 5493 B10R0.2 CCCN(C)CC(=O)NCC 2230a_100000741943_100000210303 [0,2,0,0,0,0|1,0,1]=4 5494 B10R0.2 CCCN(C)CC(=O)NCC 2230a_100000747261_100000183381 [0,2,0,0,0,0|1,0,1]=4 5495 B10R0.2 CCCN(C)CC(=O)NCC 269982a_100000741943_100000210303 [0,2,0,0,0,0|1,0,1]=4 5496 B10R0.2 CCCN(C)CC(=O)NCC 269982a_100000747261_100000183381 [0,2,0,0,0,0|1,0,1]=4 5497 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000220588_100000210303 [0,2,0,0,0,0|1,0,1]=4 5498 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000221057_200000210301 [0,2,0,0,0,0|1,0,1]=4 5499 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000747261_100000188475 [0,2,0,0,0,0|1,0,1]=4 5500 B10R0.2 CCCN(C)CC(=O)OCC 269982a_100000221057_200000210301 [0,2,0,0,0,0|1,0,1]=4 5501 B10R0.2 CCCN(C)CC(=O)OCC 269982a_100000747261_100000188475 [0,2,0,0,0,0|1,0,1]=4 5502 B10R0.2 CCCN([13CH3])CC(=O)OCC 2230a_100000221057_200025704644 [0,2,0,0,0,0|1,0,1]=4 5503 B10R0.2 CCCN([13CH3])CC(=O)OCC 269982a_100000221057_200025704644 [0,2,0,0,0,0|1,0,1]=4 5504 B10R0.2 CCCS(=O)CC(=O)NCC 11a_100015525214_100011387404 [0,2,0,0,0,0|1,0,1]=4 5505 B10R0.2 CCCS(=O)CC(=O)NCC 240690a_100015525214_100011387404 [0,2,0,0,0,0|1,0,1]=4 5506 B10R0.2 CCCS(=O)CC(=O)NCC 527a_100015525214_100011387404 [0,2,0,0,0,0|1,0,1]=4 5507 B10R0.2 CCCS(=O)CC(=O)NNC 22a_100016993582_100011387404 [0,2,0,0,0,0|2,0,0]=4 5508 B10R0.2 CCNC(=O)CC(=O)C=CBr 1458a_100016273825_100000183381 [0,2,0,0,0,0|1,0,1]=4 5509 B10R0.2 CCNC(=O)CC(=O)C=CCl 1458a_200016279998_100000183381 [0,2,0,0,0,0|1,0,1]=4 5510 B10R0.2 CCNC(=O)CC(=O)C=CI 1458a_100016256311_100000183381 [0,2,0,0,0,0|1,0,1]=4 5511 B10R0.2 CCNC(=O)CC(C)SCC 11a_100015525214_200011311441 [0,2,0,0,0,0|1,0,1]=4 5512 B10R0.2 CCNC(=O)CC(C)SCC 240690a_100015525214_200011311441 [0,2,0,0,0,0|1,0,1]=4 5513 B10R0.2 CCNC(=O)CC(C)SCC 527a_100015525214_200011311441 [0,2,0,0,0,0|1,0,1]=4 5514 B10R0.2 CCNC(C)CC(=O)OCC 2230a_100015525214_100009817359 [0,2,0,0,0,0|1,0,1]=4 5515 B10R0.2 CCOC(=O)CC(=O)C=CBr 1458a_100016273825_100000188475 [0,2,0,0,0,0|1,0,1]=4 5516 B10R0.2 CCOC(=O)CC(=O)C=CCl 1458a_200016279998_100000188475 [0,2,0,0,0,0|1,0,1]=4 5517 B10R0.2 CCOC(=O)CC(=O)C=CI 1458a_100016256311_100000188475 [0,2,0,0,0,0|1,0,1]=4 5518 B10R0.2 CCOC(=O)CC(C)SCC 62a_100000210202_100009817359 [0,2,0,0,0,0|1,0,1]=4 5519 B10R0.2 CCOC(=O)CC(C)SCC 62a_100009817359_100000210202 [0,2,0,0,0,0|1,0,1]=4 5520 B10R0.2 CCOC(=O)C[C@@H](C)OCC 7a_100009816390_100000210202 [0,2,0,0,0,0|1,0,1]=4 5521 B10R0.2 CCOC(=O)C[C@H](O)CNC 34a_100102657272_100000688340 [0,2,0,0,0,0|1,0,1]=4 5522 B10R0.2 CCOC(=O)C[C@H](O)CNC 7a_106832991635_100000688340 [0,2,0,0,0,0|1,0,1]=4 5523 B10R0.2 CCOC(=O)C[C@H](O)COC 34a_100138415774_100000688340 [0,2,0,0,0,0|1,0,1]=4 5524 B10R0.2 CCOC(=O)C[C@H](O)CSC 62a_100000688340_200000210301 [0,2,0,0,0,0|1,0,1]=4 5525 B10R0.2 CCOC(=O)C[C@H](O)CSC 62a_200000210301_100000688340 [0,2,0,0,0,0|1,0,1]=4 5526 B10R0.2 CCOC(=O)C[C@H](O)CS[13CH3] 62a_100000688340_200025704644 [0,2,0,0,0,0|1,0,1]=4 5527 B10R0.2 CCOC(=O)C[C@H](O)CS[13CH3] 62a_200025704644_100000688340 [0,2,0,0,0,0|1,0,1]=4 5528 B10R0.2 CCSC(C)CC(=O)NNC 22a_100016993582_200011311441 [0,2,0,0,0,0|2,0,0]=4 5529 B10R0.2 COC[C@@H](C)NC(=O)C=CBr 1626a_100000764878_100016273825 [0,2,0,0,0,0|2,0,0]=4 5530 B10R0.2 COC[C@@H](C)NC(=O)C=CBr 240690a_100000764878_100016273825 [0,2,0,0,0,0|2,0,0]=4 5531 B10R0.2 COC[C@@H](C)NC(=O)C=CCl 11a_100000764878_200016279998 [0,2,0,0,0,0|2,0,0]=4 5532 B10R0.2 COC[C@@H](C)NC(=O)C=CCl 1626a_100000764878_200016279998 [0,2,0,0,0,0|2,0,0]=4 5533 B10R0.2 COC[C@@H](C)NC(=O)C=CCl 240690a_100000764878_200016279998 [0,2,0,0,0,0|2,0,0]=4 5534 B10R0.2 COC[C@@H](C)NC(=O)C=CI 1626a_100000764878_100016256311 [0,2,0,0,0,0|2,0,0]=4 5535 B10R0.2 C[C@H](CCO)NC(=O)C=CBr 240690a_100000706166_100016273825 [0,2,0,0,0,0|2,0,0]=4 5536 B10R0.2 C[C@H](CCO)NC(=O)C=CCl 240690a_100000706166_200016279998 [0,2,0,0,0,0|2,0,0]=4 5537 B10R0.3 C/C=C/C(C)OCCC(C)C 34a_200102604097_100000210312 [0,2,0,0,0,0|1,0,1]=4 5538 B10R0.3 C/C=C/C(C)OCCC(C)O 34a_200102604097_100012276601 [0,2,0,0,0,0|1,0,1]=4 5539 B10R0.3 C=C(C)CNNC(=O)C=CC 22a_100000729518_100000210699 [0,2,0,0,0,0|1,0,1]=4 5540 B10R0.3 C=CCC(=O)CCCC(=O)C 1458a_100000210193_100011215641 [0,2,0,0,0,0|0,0,2]=4 5541 B10R0.3 C=CCC(=O)CCCC(C)C 1458a_100000210193_100011214892 [0,2,0,0,0,0|0,0,2]=4 5542 B10R0.3 C=CCC(=O)CCCC(C)C 1458a_100011216857_100000210623 [0,2,0,0,0,0|0,0,2]=4 5543 B10R0.3 C=CCC(=O)CCCC(C)O 1458a_100000210193_200000718107 [0,2,0,0,0,0|0,0,2]=4 5544 B10R0.3 C=CCC(=O)CCCN(C)C 1458a_100000210193_100000695564 [0,2,0,0,0,0|0,0,2]=4 5545 B10R0.3 C=CCC(=O)CCOC(C)C 1458a_100000210193_100000211751 [0,2,0,0,0,0|0,0,2]=4 5546 B10R0.3 C=CCC(=O)CCSC(C)C 1458a_100000210193_100000730970 [0,2,0,0,0,0|0,0,2]=4 5547 B10R0.3 C=CCC(=O)COCC(C)C 1458a_100011223364_100000210623 [0,2,0,0,0,0|0,0,2]=4 5548 B10R0.3 C=CCC(=O)NCCC(C)C 11a_100000210545_100000210193 [0,2,0,0,0,0|0,0,2]=4 5549 B10R0.3 C=CCC(=O)NCCC(C)C 1626a_100000210545_100000210193 [0,2,0,0,0,0|0,0,2]=4 5550 B10R0.3 C=CCC(=O)NCCC(C)C 240690a_100000210545_100000210193 [0,2,0,0,0,0|0,0,2]=4 5551 B10R0.3 C=CCC(=O)NCCC(C)C 527a_100000210545_100000210193 [0,2,0,0,0,0|0,0,2]=4 5552 B10R0.3 C=CCC(=O)NCCC(C)O 240690a_200000755665_100000210193 [0,2,0,0,0,0|0,0,2]=4 5553 B10R0.3 C=CCC(=O)NCCC(C)O 527a_200000755665_100000210193 [0,2,0,0,0,0|0,0,2]=4 5554 B10R0.3 C=COC(=O)CNCC(C)C 2230a_100000210953_100000036128 [0,2,0,0,0,0|1,0,1]=4 5555 B10R0.3 C=COC(=O)CNCC(C)C 34a_100000210953_100000036128 [0,2,0,0,0,0|1,0,1]=4 5556 B10R0.3 C=COC(=O)CNCC(C)O 2230a_100000210904_100000036128 [0,2,0,0,0,0|1,0,1]=4 5557 B10R0.3 C=COC(=O)CNCC(C)O 34a_100000210904_100000036128 [0,2,0,0,0,0|1,0,1]=4 5558 B10R0.3 C=COC(=O)COCC(C)Br 34a_100012180447_100000036128 [0,2,0,0,0,0|1,0,1]=4 5559 B10R0.3 C=COC(=O)COCC(C)C 34a_100000210257_100000036128 [0,2,0,0,0,0|1,0,1]=4 5560 B10R0.3 C=COC(=O)COCC(C)F 34a_100015925927_100000036128 [0,2,0,0,0,0|1,0,1]=4 5561 B10R0.3 C=COC(=O)COC[C@@H](C)Cl 34a_100016084084_100000036128 [0,2,0,0,0,0|1,0,1]=4 5562 B10R0.3 C=COC(=O)COC[C@@H](C)N 34a_100000737577_100000036128 [0,2,0,0,0,0|1,0,1]=4 5563 B10R0.3 C=COC(=O)CSCC(C)C 62a_100000036128_100000210760 [0,2,0,0,0,0|1,0,1]=4 5564 B10R0.3 C=COC(=O)CSCC(C)C 62a_100000210624_100000036128 [0,2,0,0,0,0|1,0,1]=4 5565 B10R0.3 C=COC(=O)CSCC(C)O 62a_100000036128_100011218427 [0,2,0,0,0,0|1,0,1]=4 5566 B10R0.3 C=COC(=O)CSCC(C)O 62a_100011218427_100000036128 [0,2,0,0,0,0|1,0,1]=4 5567 B10R0.3 C=COC(=O)CSC[C@@H](C)O 62a_100000036128_100009817552 [0,2,0,0,0,0|1,0,1]=4 5568 B10R0.3 C=COC(=O)CSC[C@@H](C)O 62a_100009817552_100000036128 [0,2,0,0,0,0|1,0,1]=4 5569 B10R0.3 CC#CC(=O)CCCC(=O)C 1458a_100000763181_100011215641 [0,2,0,0,0,0|0,0,2]=4 5570 B10R0.3 CC#CC(=O)CCCC(C)C 1458a_100000763181_100011214892 [0,2,0,0,0,0|0,0,2]=4 5571 B10R0.3 CC#CC(=O)CCCC(C)O 1458a_100000763181_200000718107 [0,2,0,0,0,0|0,0,2]=4 5572 B10R0.3 CC#CC(=O)CCCN(C)C 1458a_100000763181_100000695564 [0,2,0,0,0,0|0,0,2]=4 5573 B10R0.3 CC#CC(=O)CCOC(C)C 1458a_100000763181_100000211751 [0,2,0,0,0,0|0,0,2]=4 5574 B10R0.3 CC#CC(=O)CCSC(C)C 1458a_100000763181_100000730970 [0,2,0,0,0,0|0,0,2]=4 5575 B10R0.3 CC(=CCCC(=O)C=CBr)C 1458a_100016273825_100011217483 [0,2,0,0,0,0|1,0,1]=4 5576 B10R0.3 CC(=CCCC(=O)C=CCl)C 1458a_200016279998_100011217483 [0,2,0,0,0,0|1,0,1]=4 5577 B10R0.3 CC(=CCCC(=O)C=CI)C 1458a_100016256311_100011217483 [0,2,0,0,0,0|1,0,1]=4 5578 B10R0.3 CC(=O)CCCC(=O)C=CBr 1458a_100016273825_100011215641 [0,2,0,0,0,0|1,0,0]=3 5579 B10R0.3 CC(=O)CCCC(=O)C=CCl 1458a_200016279998_100011215641 [0,2,0,0,0,0|1,0,0]=3 5580 B10R0.3 CC(=O)CCCC(=O)C=CI 1458a_100016256311_100011215641 [0,2,0,0,0,0|1,0,0]=3 5581 B10R0.3 CC(=O)NCCC(=O)C=CBr 1458a_100016273825_100000189650 [0,2,0,0,0,0|1,0,1]=4 5582 B10R0.3 CC(=O)NCCC(=O)C=CCl 1458a_200016279998_100000189650 [0,2,0,0,0,0|1,0,1]=4 5583 B10R0.3 CC(=O)NCCC(=O)C=CI 1458a_100016256311_100000189650 [0,2,0,0,0,0|1,0,1]=4 5584 B10R0.3 CC(=O)OCCC(=O)C=CBr 1458a_100016273825_100009814007 [0,2,0,0,0,0|1,0,1]=4 5585 B10R0.3 CC(=O)OCCC(=O)C=CCl 1458a_200016279998_100009814007 [0,2,0,0,0,0|1,0,1]=4 5586 B10R0.3 CC(=O)OCCC(=O)C=CI 1458a_100016256311_100009814007 [0,2,0,0,0,0|1,0,1]=4 5587 B10R0.3 CC(C)CCCC(=O)C=CBr 1458a_100016273825_100011214892 [0,2,0,0,0,0|1,0,0]=3 5588 B10R0.3 CC(C)CCCC(=O)C=CCl 1458a_200016279998_100011214892 [0,2,0,0,0,0|1,0,0]=3 5589 B10R0.3 CC(C)CCCC(=O)C=CI 1458a_100016256311_100011214892 [0,2,0,0,0,0|1,0,0]=3 5590 B10R0.3 CC(C)CCNC(=O)C=CBr 1626a_100000210545_100016273825 [0,2,0,0,0,0|1,0,0]=3 5591 B10R0.3 CC(C)CCNC(=O)C=CBr 240690a_100000210545_100016273825 [0,2,0,0,0,0|1,0,0]=3 5592 B10R0.3 CC(C)CCNC(=O)C=CCl 11a_100000210545_200016279998 [0,2,0,0,0,0|1,0,0]=3 5593 B10R0.3 CC(C)CCNC(=O)C=CCl 1626a_100000210545_200016279998 [0,2,0,0,0,0|1,0,0]=3 5594 B10R0.3 CC(C)CCNC(=O)C=CCl 240690a_100000210545_200016279998 [0,2,0,0,0,0|1,0,0]=3 5595 B10R0.3 CC(C)CCNC(=O)C=CI 1626a_100000210545_100016256311 [0,2,0,0,0,0|1,0,0]=3 5596 B10R0.3 CC(C)OCCC(=O)C=CBr 1458a_100016273825_100000211751 [0,2,0,0,0,0|1,0,0]=3 5597 B10R0.3 CC(C)OCCC(=O)C=CCl 1458a_200016279998_100000211751 [0,2,0,0,0,0|1,0,0]=3 5598 B10R0.3 CC(C)OCCC(=O)C=CI 1458a_100016256311_100000211751 [0,2,0,0,0,0|1,0,0]=3 5599 B10R0.3 CC(C)SCCC(=O)C=CBr 1458a_100016273825_100000730970 [0,2,0,0,0,0|1,0,0]=3 5600 B10R0.3 CC(C)SCCC(=O)C=CCl 1458a_200016279998_100000730970 [0,2,0,0,0,0|1,0,0]=3 5601 B10R0.3 CC(C)SCCC(=O)C=CI 1458a_100016256311_100000730970 [0,2,0,0,0,0|1,0,0]=3 5602 B10R0.3 CC(O)CCCC(=O)C=CBr 1458a_100016273825_200000718107 [0,2,0,0,0,0|1,0,0]=3 5603 B10R0.3 CC(O)CCCC(=O)C=CCl 1458a_200016279998_200000718107 [0,2,0,0,0,0|1,0,0]=3 5604 B10R0.3 CC(O)CCCC(=O)C=CI 1458a_100016256311_200000718107 [0,2,0,0,0,0|1,0,0]=3 5605 B10R0.3 CC(O)CCNC(=O)C=CBr 240690a_200000755665_100016273825 [0,2,0,0,0,0|1,0,0]=3 5606 B10R0.3 CC(O)CCNC(=O)C=CCl 240690a_200000755665_200016279998 [0,2,0,0,0,0|1,0,0]=3 5607 B10R0.3 CC=CC(=NNCC(C)O)C 4a_200000730056_100011218416 [0,2,0,0,0,0|2,0,0]=4 5608 B10R0.3 CC=CC(=O)CCC=C(C)C 1458a_100000210699_100011217483 [0,2,0,0,0,0|0,0,1]=3 5609 B10R0.3 CC=CC(=O)CCC=C(F)F 1458a_100000210699_200009816681 [0,2,0,0,0,0|0,0,2]=4 5610 B10R0.3 CC=CC(=O)CCCC(=O)C 1458a_100000210699_100011215641 [0,2,0,0,0,0|0,0,0]=2 5611 B10R0.3 CC=CC(=O)CCCC(=O)N 1458a_100000210699_100102525003 [0,2,0,0,0,0|0,0,1]=3 5612 B10R0.3 CC=CC(=O)CCCC(C)C 1458a_100000210699_100011214892 [0,2,0,0,0,0|0,0,0]=2 5613 B10R0.3 CC=CC(=O)CCCC(C)O 1458a_100000210699_200000718107 [0,2,0,0,0,0|0,0,0]=2 5614 B10R0.3 CC=CC(=O)CCCN(C)C 1458a_100000210699_100000695564 [0,2,0,0,0,0|0,0,0]=2 5615 B10R0.3 CC=CC(=O)CCNC(=O)C 1458a_100000210699_100000189650 [0,2,0,0,0,0|0,0,1]=3 5616 B10R0.3 CC=CC(=O)CCNC(=O)N 1458a_100000210699_200000034859 [0,2,0,0,0,0|1,0,1]=4 5617 B10R0.3 CC=CC(=O)CCOC(=O)C 1458a_100000210699_100009814007 [0,2,0,0,0,0|0,0,1]=3 5618 B10R0.3 CC=CC(=O)CCOC(=O)N 1458a_100000210699_200011214921 [0,2,0,0,0,0|1,0,1]=4 5619 B10R0.3 CC=CC(=O)CCOC(C)C 1458a_100000210699_100000211751 [0,2,0,0,0,0|0,0,0]=2 5620 B10R0.3 CC=CC(=O)CCSC(C)C 1458a_100000210699_100000730970 [0,2,0,0,0,0|0,0,0]=2 5621 B10R0.3 CC=CC(=O)NCC=C(C)C 11a_100000718196_100000210699 [0,2,0,0,0,0|0,0,2]=4 5622 B10R0.3 CC=CC(=O)NCC=C(C)C 1626a_100000718196_100000210699 [0,2,0,0,0,0|0,0,2]=4 5623 B10R0.3 CC=CC(=O)NCCC(=O)N 11a_100000740010_100000210699 [0,2,0,0,0,0|1,0,1]=4 5624 B10R0.3 CC=CC(=O)NCCC(=O)N 240690a_100000740010_100000210699 [0,2,0,0,0,0|1,0,1]=4 5625 B10R0.3 CC=CC(=O)NCCC(C)C 11a_100000210545_100000210699 [0,2,0,0,0,0|0,0,0]=2 5626 B10R0.3 CC=CC(=O)NCCC(C)C 1626a_100000210545_100000210699 [0,2,0,0,0,0|0,0,0]=2 5627 B10R0.3 CC=CC(=O)NCCC(C)C 240690a_100000210545_100000210699 [0,2,0,0,0,0|0,0,0]=2 5628 B10R0.3 CC=CC(=O)NCCC(C)O 240690a_200000755665_100000210699 [0,2,0,0,0,0|0,0,0]=2 5629 B10R0.3 CC=CC(=O)NCCN(C)C 240690a_100000210585_100000210699 [0,2,0,0,0,0|1,0,0]=3 5630 B10R0.3 CC=CC(=O)NNCC(C)C 22a_100000696102_100000210699 [0,2,0,0,0,0|1,0,0]=3 5631 B10R0.3 CC=CC(=O)NNCC(C)O 22a_200000730056_100000210699 [0,2,0,0,0,0|1,0,0]=3 5632 B10R0.3 CCCC(=O)CCCC(=O)C 1458a_100000211992_100011215641 [0,2,0,0,0,0|0,0,2]=4 5633 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100000211992_100011214892 [0,2,0,0,0,0|0,0,2]=4 5634 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100011216857_100000210303 [0,2,0,0,0,0|0,0,2]=4 5635 B10R0.3 CCCC(=O)CCCC(C)O 1458a_100000211992_200000718107 [0,2,0,0,0,0|0,0,2]=4 5636 B10R0.3 CCCC(=O)CCCN(C)C 1458a_100000211992_100000695564 [0,2,0,0,0,0|0,0,2]=4 5637 B10R0.3 CCCC(=O)CCOC(C)C 1458a_100000211992_100000211751 [0,2,0,0,0,0|0,0,2]=4 5638 B10R0.3 CCCC(=O)CCSC(C)C 1458a_100000211992_100000730970 [0,2,0,0,0,0|0,0,2]=4 5639 B10R0.3 CCCC(=O)CNCC(C)C 2230a_100000210953_100000747444 [0,2,0,0,0,0|0,0,2]=4 5640 B10R0.3 CCCC(=O)CNCC(C)O 2230a_100000210904_100000747444 [0,2,0,0,0,0|0,0,2]=4 5641 B10R0.3 CCCC(=O)COCC(C)C 1458a_100011223364_100000210303 [0,2,0,0,0,0|0,0,2]=4 5642 B10R0.3 CCCC(=O)CSCC(C)C 62a_100000210624_100000747444 [0,2,0,0,0,0|0,0,2]=4 5643 B10R0.3 CCCC(=O)CSCC(C)C 62a_100000747444_100000210760 [0,2,0,0,0,0|0,0,2]=4 5644 B10R0.3 CCCC(=O)CSCC(C)O 62a_100000747444_100011218427 [0,2,0,0,0,0|0,0,2]=4 5645 B10R0.3 CCCC(=O)CSCC(C)O 62a_100011218427_100000747444 [0,2,0,0,0,0|0,0,2]=4 5646 B10R0.3 CCCC(=O)CSC[C@@H](C)O 62a_100000747444_100009817552 [0,2,0,0,0,0|0,0,2]=4 5647 B10R0.3 CCCC(=O)CSC[C@@H](C)O 62a_100009817552_100000747444 [0,2,0,0,0,0|0,0,2]=4 5648 B10R0.3 CCCC(=O)NCCC(C)C 11a_100000210545_100000211992 [0,2,0,0,0,0|0,0,2]=4 5649 B10R0.3 CCCC(=O)NCCC(C)C 1626a_100000210545_100000211992 [0,2,0,0,0,0|0,0,2]=4 5650 B10R0.3 CCCC(=O)NCCC(C)C 240690a_100000210545_100000211992 [0,2,0,0,0,0|0,0,2]=4 5651 B10R0.3 CCCC(=O)NCCC(C)C 527a_100000210545_100000211992 [0,2,0,0,0,0|0,0,2]=4 5652 B10R0.3 CCCC(=O)NCCC(C)O 240690a_200000755665_100000211992 [0,2,0,0,0,0|0,0,2]=4 5653 B10R0.3 CCCC(=O)NCCC(C)O 527a_200000755665_100000211992 [0,2,0,0,0,0|0,0,2]=4 5654 B10R0.3 CCNC(=O)CCCC(=O)C 1458a_100000199580_200000210301 [0,2,0,0,0,0|1,0,1]=4 5655 B10R0.3 CCNC(=O)CCCC(=O)[13CH3] 1458a_100000199580_200025704644 [0,2,0,0,0,0|1,0,1]=4 5656 B10R0.3 CCNC(=O)CCCC(C)C 11a_100015525214_100011216857 [0,2,0,0,0,0|1,0,1]=4 5657 B10R0.3 CCNC(=O)CCCC(C)C 240690a_100015525214_100011216857 [0,2,0,0,0,0|1,0,1]=4 5658 B10R0.3 CCNC(=O)CCCC(C)C 527a_100015525214_100011216857 [0,2,0,0,0,0|1,0,1]=4 5659 B10R0.3 CCNC(=O)CCCC(C)O 527a_100015525214_100000761597 [0,2,0,0,0,0|1,0,1]=4 5660 B10R0.3 CCNC(=O)CCCN(C)C 11a_100015525214_100000740757 [0,2,0,0,0,0|1,0,1]=4 5661 B10R0.3 CCNC(=O)CCCN(C)C 240690a_100015525214_100000740757 [0,2,0,0,0,0|1,0,1]=4 5662 B10R0.3 CCNC(=O)CCNC(C)C 2230a_100138425928_100000737597 [0,2,0,0,0,0|1,0,1]=4 5663 B10R0.3 CCNC(=O)CCNC(C)C 34a_100025743525_100000210206 [0,2,0,0,0,0|1,0,1]=4 5664 B10R0.3 CCNC(=O)CCSC(C)C 62a_100000210206_100000737597 [0,2,0,0,0,0|1,0,1]=4 5665 B10R0.3 CCNC(=O)CCSC(C)C 62a_100000737597_100000210206 [0,2,0,0,0,0|1,0,1]=4 5666 B10R0.3 CCNC(=O)CNCC(C)C 2230a_100000210953_100000183381 [0,2,0,0,0,0|1,0,1]=4 5667 B10R0.3 CCNC(=O)CNCC(C)C 2230a_100016988866_100000210760 [0,2,0,0,0,0|1,0,1]=4 5668 B10R0.3 CCNC(=O)CNCC(C)C 270004a_100016988866_100000210432 [0,2,0,0,0,0|1,0,1]=4 5669 B10R0.3 CCNC(=O)CNCC(C)C 34a_100000210953_100000183381 [0,2,0,0,0,0|1,0,1]=4 5670 B10R0.3 CCNC(=O)CNCC(C)O 2230a_100000210904_100000183381 [0,2,0,0,0,0|1,0,1]=4 5671 B10R0.3 CCNC(=O)CNCC(C)O 2230a_100016988866_100011218427 [0,2,0,0,0,0|1,0,1]=4 5672 B10R0.3 CCNC(=O)CNCC(C)O 34a_100000210904_100000183381 [0,2,0,0,0,0|1,0,1]=4 5673 B10R0.3 CCNC(=O)CNC[C@@H](C)O 2230a_100016988866_100009817552 [0,2,0,0,0,0|1,0,1]=4 5674 B10R0.3 CCNC(=O)COCC(C)Br 34a_100012180447_100000183381 [0,2,0,0,0,0|1,0,1]=4 5675 B10R0.3 CCNC(=O)COCC(C)C 11a_100015525214_100011223364 [0,2,0,0,0,0|1,0,1]=4 5676 B10R0.3 CCNC(=O)COCC(C)C 240690a_100015525214_100011223364 [0,2,0,0,0,0|1,0,1]=4 5677 B10R0.3 CCNC(=O)COCC(C)C 34a_100000210257_100000183381 [0,2,0,0,0,0|1,0,1]=4 5678 B10R0.3 CCNC(=O)COCC(C)C 527a_100015525214_100011223364 [0,2,0,0,0,0|1,0,1]=4 5679 B10R0.3 CCNC(=O)COCC(C)F 34a_100015925927_100000183381 [0,2,0,0,0,0|1,0,1]=4 5680 B10R0.3 CCNC(=O)COC[C@@H](C)Cl 34a_100016084084_100000183381 [0,2,0,0,0,0|1,0,1]=4 5681 B10R0.3 CCNC(=O)COC[C@@H](C)N 34a_100000737577_100000183381 [0,2,0,0,0,0|1,0,1]=4 5682 B10R0.3 CCNC(=O)CSCC(C)C 62a_100000183381_100000210760 [0,2,0,0,0,0|1,0,1]=4 5683 B10R0.3 CCNC(=O)CSCC(C)C 62a_100000210624_100000183381 [0,2,0,0,0,0|1,0,1]=4 5684 B10R0.3 CCNC(=O)CSCC(C)O 62a_100000183381_100011218427 [0,2,0,0,0,0|1,0,1]=4 5685 B10R0.3 CCNC(=O)CSCC(C)O 62a_100011218427_100000183381 [0,2,0,0,0,0|1,0,1]=4 5686 B10R0.3 CCNC(=O)CSC[C@@H](C)O 62a_100000183381_100009817552 [0,2,0,0,0,0|1,0,1]=4 5687 B10R0.3 CCNC(=O)CSC[C@@H](C)O 62a_100009817552_100000183381 [0,2,0,0,0,0|1,0,1]=4 5688 B10R0.3 CCNC(=O)NCCC(C)C 2708a_100000210545_100015525214 [0,2,0,0,0,0|1,0,1]=4 5689 B10R0.3 CCNC(=O)NCCC(C)C 2708a_100015525214_100000210545 [0,2,0,0,0,0|1,0,1]=4 5690 B10R0.3 CCNC(=O)NCCC(C)C 273464a_100000210545_100015525214 [0,2,0,0,0,0|1,0,1]=4 5691 B10R0.3 CCNC(=O)NCCC(C)C 273464a_100015525214_100000210545 [0,2,0,0,0,0|1,0,1]=4 5692 B10R0.3 CCNC(=O)NCCC(C)C 512a_100000210545_100015525214 [0,2,0,0,0,0|1,0,1]=4 5693 B10R0.3 CCNC(=O)NCCC(C)C 512a_100015525214_100000210545 [0,2,0,0,0,0|1,0,1]=4 5694 B10R0.3 CCNC(=O)NCCC(C)O 2708a_100015525214_200000755665 [0,2,0,0,0,0|1,0,1]=4 5695 B10R0.3 CCNC(=O)NCCC(C)O 273464a_200000755665_100015525214 [0,2,0,0,0,0|1,0,1]=4 5696 B10R0.3 CCNC(=O)NCCC(C)O 512a_100015525214_200000755665 [0,2,0,0,0,0|1,0,1]=4 5697 B10R0.3 CCNC(=O)NCCC(C)O 512a_200000755665_100015525214 [0,2,0,0,0,0|1,0,1]=4 5698 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000070787_100011215271 [0,2,0,0,0,0|1,0,1]=4 5699 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000210991_200000210301 [0,2,0,0,0,0|1,0,1]=4 5700 B10R0.3 CCOC(=O)CCCC(=O)[13CH3] 1458a_100000210991_200025704644 [0,2,0,0,0,0|1,0,1]=4 5701 B10R0.3 CCOC(=O)CCCN(C)C 2230a_100102631434_100009991533 [0,2,0,0,0,0|1,0,1]=4 5702 B10R0.3 CCOC(=O)CCCN(C)C 269982a_100102631434_100009991533 [0,2,0,0,0,0|1,0,1]=4 5703 B10R0.3 CCOC(=O)CCNC(C)C 2230a_100138425928_100011206558 [0,2,0,0,0,0|1,0,1]=4 5704 B10R0.3 CCOC(=O)CCNC(C)C 34a_100138425928_100000765890 [0,2,0,0,0,0|1,0,1]=4 5705 B10R0.3 CCOC(=O)CCOC(C)C 34a_100000212225_100000765890 [0,2,0,0,0,0|1,0,1]=4 5706 B10R0.3 CCOC(=O)CCSC(C)C 62a_100000210206_100000765890 [0,2,0,0,0,0|1,0,1]=4 5707 B10R0.3 CCOC(=O)CCSC(C)C 62a_100000765890_100000210206 [0,2,0,0,0,0|1,0,1]=4 5708 B10R0.3 CCOC(=O)CNCC(C)C 2230a_100000210953_100000188475 [0,2,0,0,0,0|1,0,1]=4 5709 B10R0.3 CCOC(=O)CNCC(C)C 34a_100000210953_100000188475 [0,2,0,0,0,0|1,0,1]=4 5710 B10R0.3 CCOC(=O)CNCC(C)O 2230a_100000210904_100000188475 [0,2,0,0,0,0|1,0,1]=4 5711 B10R0.3 CCOC(=O)CNCC(C)O 34a_100000210904_100000188475 [0,2,0,0,0,0|1,0,1]=4 5712 B10R0.3 CCOC(=O)COCC(C)Br 34a_100012180447_100000188475 [0,2,0,0,0,0|1,0,1]=4 5713 B10R0.3 CCOC(=O)COCC(C)C 34a_100000210257_100000188475 [0,2,0,0,0,0|1,0,1]=4 5714 B10R0.3 CCOC(=O)COCC(C)F 34a_100015925927_100000188475 [0,2,0,0,0,0|1,0,1]=4 5715 B10R0.3 CCOC(=O)COC[C@@H](C)Cl 34a_100016084084_100000188475 [0,2,0,0,0,0|1,0,1]=4 5716 B10R0.3 CCOC(=O)COC[C@@H](C)N 34a_100000737577_100000188475 [0,2,0,0,0,0|1,0,1]=4 5717 B10R0.3 CCOC(=O)CSCC(C)C 62a_100000188475_100000210760 [0,2,0,0,0,0|1,0,1]=4 5718 B10R0.3 CCOC(=O)CSCC(C)C 62a_100000210624_100000188475 [0,2,0,0,0,0|1,0,1]=4 5719 B10R0.3 CCOC(=O)CSCC(C)O 62a_100000188475_100011218427 [0,2,0,0,0,0|1,0,1]=4 5720 B10R0.3 CCOC(=O)CSCC(C)O 62a_100011218427_100000188475 [0,2,0,0,0,0|1,0,1]=4 5721 B10R0.3 CCOC(=O)CSC[C@@H](C)O 62a_100000188475_100009817552 [0,2,0,0,0,0|1,0,1]=4 5722 B10R0.3 CCOC(=O)CSC[C@@H](C)O 62a_100009817552_100000188475 [0,2,0,0,0,0|1,0,1]=4 5723 B10R0.3 CN(C)CCCC(=O)C=CBr 1458a_100016273825_100000695564 [0,2,0,0,0,0|1,0,0]=3 5724 B10R0.3 CN(C)CCCC(=O)C=CCl 1458a_200016279998_100000695564 [0,2,0,0,0,0|1,0,0]=3 5725 B10R0.3 CN(C)CCCC(=O)C=CI 1458a_100016256311_100000695564 [0,2,0,0,0,0|1,0,0]=3 5726 B10R0.3 CN(C)CCNC(=O)C=CBr 240690a_100000210585_100016273825 [0,2,0,0,0,0|2,0,0]=4 5727 B10R0.3 CN(C)CCNC(=O)C=CCl 240690a_100000210585_200016279998 [0,2,0,0,0,0|2,0,0]=4 5728 B10R0.3 CNNC(=O)CCCC(C)C 22a_100016993582_100011216857 [0,2,0,0,0,0|2,0,0]=4 5729 B10R0.3 CNNC(=O)CCCC(C)O 22a_100016993582_100000761597 [0,2,0,0,0,0|2,0,0]=4 5730 B10R0.3 CNNC(=O)CCCN(C)C 22a_100016993582_100000740757 [0,2,0,0,0,0|2,0,0]=4 5731 B10R0.3 CNNC(=O)COCC(C)C 22a_100016993582_100011223364 [0,2,0,0,0,0|2,0,0]=4 5732 B10R0.3 CNNC(=O)NCCC(C)C 273464a_100000210545_100016993582 [0,2,0,0,0,0|2,0,0]=4 5733 B10R0.3 CNNC(=O)NCCC(C)C 512a_100000210545_100016993582 [0,2,0,0,0,0|2,0,0]=4 5734 B10R0.3 CNNC(=O)NCCC(C)C 512a_100016993582_100000210545 [0,2,0,0,0,0|2,0,0]=4 5735 B10R0.3 CNNC(=O)NCCC(C)O 273464a_200000755665_100016993582 [0,2,0,0,0,0|2,0,0]=4 5736 B10R0.3 CNNC(=O)NCCC(C)O 512a_100016993582_200000755665 [0,2,0,0,0,0|2,0,0]=4 5737 B10R0.3 CNNC(=O)NCCC(C)O 512a_200000755665_100016993582 [0,2,0,0,0,0|2,0,0]=4 5738 B10R0.3 COCC(=O)CCCC(=O)C 1458a_100000210968_100011215641 [0,2,0,0,0,0|1,0,1]=4 5739 B10R0.3 COCC(=O)CCCC(C)C 1458a_100000210968_100011214892 [0,2,0,0,0,0|1,0,1]=4 5740 B10R0.3 COCC(=O)CCCC(C)O 1458a_100000210968_200000718107 [0,2,0,0,0,0|1,0,1]=4 5741 B10R0.3 COCC(=O)CCCN(C)C 1458a_100000210968_100000695564 [0,2,0,0,0,0|1,0,1]=4 5742 B10R0.3 COCC(=O)CCOC(C)C 1458a_100000210968_100000211751 [0,2,0,0,0,0|1,0,1]=4 5743 B10R0.3 COCC(=O)CCSC(C)C 1458a_100000210968_100000730970 [0,2,0,0,0,0|1,0,1]=4 5744 B10R0.3 COCC(=O)NCCC(C)C 11a_100000210545_100000210968 [0,2,0,0,0,0|1,0,1]=4 5745 B10R0.3 COCC(=O)NCCC(C)C 1626a_100000210545_100000210968 [0,2,0,0,0,0|1,0,1]=4 5746 B10R0.3 COCC(=O)NCCC(C)C 240690a_100000210545_100000210968 [0,2,0,0,0,0|1,0,1]=4 5747 B10R0.3 COCC(=O)NCCC(C)C 527a_100000210545_100000210968 [0,2,0,0,0,0|1,0,1]=4 5748 B10R0.3 COCC(=O)NCCC(C)O 240690a_200000755665_100000210968 [0,2,0,0,0,0|1,0,1]=4 5749 B10R0.3 COCC(=O)NCCC(C)O 527a_200000755665_100000210968 [0,2,0,0,0,0|1,0,1]=4 5750 B10R0.3 CSCC(=O)CCCC(=O)C 1458a_100000184570_100011215641 [0,2,0,0,0,0|1,0,1]=4 5751 B10R0.3 CSCC(=O)CCCC(C)C 1458a_100000184570_100011214892 [0,2,0,0,0,0|1,0,1]=4 5752 B10R0.3 CSCC(=O)CCCC(C)O 1458a_100000184570_200000718107 [0,2,0,0,0,0|1,0,1]=4 5753 B10R0.3 CSCC(=O)CCCN(C)C 1458a_100000184570_100000695564 [0,2,0,0,0,0|1,0,1]=4 5754 B10R0.3 CSCC(=O)CCOC(C)C 1458a_100000184570_100000211751 [0,2,0,0,0,0|1,0,1]=4 5755 B10R0.3 CSCC(=O)CCSC(C)C 1458a_100000184570_100000730970 [0,2,0,0,0,0|1,0,1]=4 5756 B10R0.3 CSCC(=O)NCCC(C)C 11a_100000210545_100000184570 [0,2,0,0,0,0|1,0,1]=4 5757 B10R0.3 CSCC(=O)NCCC(C)C 1626a_100000210545_100000184570 [0,2,0,0,0,0|1,0,1]=4 5758 B10R0.3 CSCC(=O)NCCC(C)C 240690a_100000210545_100000184570 [0,2,0,0,0,0|1,0,1]=4 5759 B10R0.3 CSCC(=O)NCCC(C)C 527a_100000210545_100000184570 [0,2,0,0,0,0|1,0,1]=4 5760 B10R0.3 CSCC(=O)NCCC(C)O 240690a_200000755665_100000184570 [0,2,0,0,0,0|1,0,1]=4 5761 B10R0.3 CSCC(=O)NCCC(C)O 527a_200000755665_100000184570 [0,2,0,0,0,0|1,0,1]=4 5762 B10R0.3 NC(=O)CCCC(=O)C=CBr 1458a_100016273825_100102525003 [0,2,0,0,0,0|1,0,1]=4 5763 B10R0.3 NC(=O)CCCC(=O)C=CCl 1458a_200016279998_100102525003 [0,2,0,0,0,0|1,0,1]=4 5764 B10R0.3 NC(=O)CCCC(=O)C=CI 1458a_100016256311_100102525003 [0,2,0,0,0,0|1,0,1]=4 5765 B10R0.19 C#CCCC(=O)/C(=C/CC)/C 1458a_100016988807_100000753159 [0,2,0,0,0,0|0,0,2]=4 5766 B10R0.19 C/C=C/CC(=O)/C(=C/CC)/C 1458a_100016988807_100102629194 [0,2,0,0,0,0|0,0,2]=4 5767 B10R0.19 C/C=C/CC(=O)C(=O)NCC 1458a_200011297158_100102629194 [0,2,0,0,0,0|1,0,1]=4 5768 B10R0.19 C/C=C/CC(=O)C(C)CCC 1458a_100000210906_100102629194 [0,2,0,0,0,0|0,0,0]=2 5769 B10R0.19 C/C=C/CC(=O)C(C)COC 1458a_100000751857_100102629194 [0,2,0,0,0,0|1,0,0]=3 5770 B10R0.19 C/C=C/CC(=O)C(C)CSC 1458a_100000753918_100102629194 [0,2,0,0,0,0|1,0,0]=3 5771 B10R0.19 C/C=C/CC(=O)C(C)OCC 1458a_100000739345_100102629194 [0,2,0,0,0,0|1,0,0]=3 5772 B10R0.19 C/C=C/CC(=O)C(C)SCC 1458a_100000230601_100102629194 [0,2,0,0,0,0|1,0,0]=3 5773 B10R0.19 C/C=C/CC(=O)[C@@H](O)CCC 1458a_100009822183_100102629194 [0,2,0,0,0,0|0,0,0]=2 5774 B10R0.19 C=CC=CC(=O)C(C)CCC 1458a_100016291481_100000766640 [0,2,0,0,0,0|0,0,1]=3 5775 B10R0.19 C=CC=CC(=O)C(C)CCO 1458a_100016291481_100009893172 [0,2,0,0,0,0|1,0,1]=4 5776 B10R0.19 C=CC=CC(=O)C(C)COC 1458a_100016291481_100000765312 [0,2,0,0,0,0|1,0,1]=4 5777 B10R0.19 C=CC=CC(=O)N(C)CCC 1626a_100000747261_100016291481 [0,2,0,0,0,0|1,0,1]=4 5778 B10R0.19 C=CCC(=O)C(=O)NCCC 1458a_200011297150_100000210623 [0,2,0,0,0,0|1,0,1]=4 5779 B10R0.19 C=CCC(=O)C(C)CCCC 1458a_100000210193_200011215066 [0,2,0,0,0,0|0,0,2]=4 5780 B10R0.19 C=CCC(=O)C(C)CCCC 1458a_100000725509_100000210623 [0,2,0,0,0,0|0,0,2]=4 5781 B10R0.19 C=CCC(=O)C(O)CCCC 1458a_100000720857_100000210623 [0,2,0,0,0,0|0,0,2]=4 5782 B10R0.19 C=CCC(=O)C(O)CCSC 1458a_100000685904_100000210623 [0,2,0,0,0,0|0,0,2]=4 5783 B10R0.19 C=CCC(=O)N(C)CCCC 11a_100000207549_100000210193 [0,2,0,0,0,0|0,0,2]=4 5784 B10R0.19 C=CCC(=O)N(C)CCCC 1626a_100000207549_100000210193 [0,2,0,0,0,0|0,0,2]=4 5785 B10R0.19 C=CCC(=O)N(C)CCCC 240690a_100000207549_100000210193 [0,2,0,0,0,0|0,0,2]=4 5786 B10R0.19 C=CCC(=O)N(C)CCCC 527a_100000207549_100000210193 [0,2,0,0,0,0|0,0,2]=4 5787 B10R0.19 C=CCC(C)C(=O)C/C=C/C 1458a_100011216819_100102629194 [0,2,0,0,0,0|0,0,2]=4 5788 B10R0.19 C=CCC(C)C(=O)CC=CC 1458a_100011216819_100000070051 [0,2,0,0,0,0|0,0,2]=4 5789 B10R0.19 C=CCC(C)C(=O)CCCC 1458a_100011216819_100000210211 [0,2,0,0,0,0|0,0,2]=4 5790 B10R0.19 C=CCCC(=O)/C(=C/CC)/C 1458a_100016988807_100000754431 [0,2,0,0,0,0|0,0,2]=4 5791 B10R0.19 C=CCCC(=O)C(C)CCC 1458a_100000210906_100000754431 [0,2,0,0,0,0|0,0,2]=4 5792 B10R0.19 C=CCCC(=O)C(C)CCC 1458a_100000749702_100000766640 [0,2,0,0,0,0|0,0,2]=4 5793 B10R0.19 C=CCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000754431 [0,2,0,0,0,0|0,0,2]=4 5794 B10R0.19 C=CCCN(C)C(=O)C=CC 11a_100020639649_100000210699 [0,2,0,0,0,0|0,0,2]=4 5795 B10R0.19 C=CCCN(C)C(=O)C=CC 1626a_100020639649_100000210699 [0,2,0,0,0,0|0,0,2]=4 5796 B10R0.19 C=CCCN(C)C(=O)C=CC 240690a_100020639649_100000210699 [0,2,0,0,0,0|0,0,2]=4 5797 B10R0.19 C=CCN(C)C(=O)CCCC 11a_100000225617_100000210183 [0,2,0,0,0,0|0,0,2]=4 5798 B10R0.19 C=CCN(C)C(=O)CCCC 1626a_100000225617_100000210183 [0,2,0,0,0,0|0,0,2]=4 5799 B10R0.19 C=CCN(C)C(=O)CCCC 240690a_100000225617_100000210183 [0,2,0,0,0,0|0,0,2]=4 5800 B10R0.19 C=CCN(C)C(=O)CCCC 527a_100000225617_100000210183 [0,2,0,0,0,0|0,0,2]=4 5801 B10R0.19 C=CCNC(=O)C(C)CCC 1626a_100020586998_100000210906 [0,2,0,0,0,0|0,0,2]=4 5802 B10R0.19 C=CCNC(=O)C(C)CCC 240690a_100020586998_100000210906 [0,2,0,0,0,0|0,0,2]=4 5803 B10R0.19 C=CCNC(=O)C(C)CCC 527a_100020586998_100000210906 [0,2,0,0,0,0|0,0,2]=4 5804 B10R0.19 C=CCNC(=O)[C@@H](O)CCC 240690a_100020586998_100009822183 [0,2,0,0,0,0|0,0,2]=4 5805 B10R0.19 CC#CC(=O)C(C)CCCC 1458a_100000763181_200011215066 [0,2,0,0,0,0|0,0,2]=4 5806 B10R0.19 CC#CCC(=O)/C(=C/CC)/C 1458a_100016988807_100000748600 [0,2,0,0,0,0|0,0,2]=4 5807 B10R0.19 CC#CCC(=O)C(C)CCC 1458a_100000210906_100000748600 [0,2,0,0,0,0|0,0,2]=4 5808 B10R0.19 CC#CCC(=O)[C@@H](O)CCC 1458a_100009822183_100000748600 [0,2,0,0,0,0|0,0,2]=4 5809 B10R0.19 CC/C=C(\C)/C(=O)CCC#N 1458a_100016988807_100011215226 [0,2,0,0,0,0|1,0,1]=4 5810 B10R0.19 CC/C=C(\C)/C(=O)CCCC 1458a_100016988807_100000210211 [0,2,0,0,0,0|0,0,0]=2 5811 B10R0.19 CC/C=C(\C)/C(=O)CCCF 1458a_100016988807_100011934791 [0,2,0,0,0,0|1,0,0]=3 5812 B10R0.19 CC/C=C(\C)/C(=O)CCCO 1458a_100016988807_100011215043 [0,2,0,0,0,0|1,0,0]=3 5813 B10R0.19 CC/C=C(\C)/C(=O)CCOC 1458a_100016988807_100000233755 [0,2,0,0,0,0|1,0,0]=3 5814 B10R0.19 CC/C=C(\C)/C(=O)CCSC 1458a_100016988807_100000751147 [0,2,0,0,0,0|1,0,0]=3 5815 B10R0.19 CC/C=C(\C)/C(=O)NCCC 11a_100020643023_100016988807 [0,2,0,0,0,0|1,0,0]=3 5816 B10R0.19 CC/C=C(\C)/C(=O)NCCC 1626a_100020643023_100016988807 [0,2,0,0,0,0|1,0,0]=3 5817 B10R0.19 CC/C=C(\C)/C(=O)NCCC 240690a_100020643023_100016988807 [0,2,0,0,0,0|1,0,0]=3 5818 B10R0.19 CC/C=C(\C)/C(=O)NCCC 527a_100020643023_100016988807 [0,2,0,0,0,0|1,0,0]=3 5819 B10R0.19 CC/C=C(\C)/C(=O)NCCF 11a_100000724931_100016988807 [0,2,0,0,0,0|2,0,0]=4 5820 B10R0.19 CC/C=C(\C)/C(=O)NCCF 1626a_100000724931_100016988807 [0,2,0,0,0,0|2,0,0]=4 5821 B10R0.19 CC/C=C(\C)/C(=O)NCCF 240690a_100000724931_100016988807 [0,2,0,0,0,0|2,0,0]=4 5822 B10R0.19 CC/C=C(\C)/C(=O)NCCF 527a_100000724931_100016988807 [0,2,0,0,0,0|2,0,0]=4 5823 B10R0.19 CC/C=C(\C)/C(=O)NCCO 240690a_100000210304_100016988807 [0,2,0,0,0,0|2,0,0]=4 5824 B10R0.19 CC/C=C(\C)/C(=O)NCCO 527a_100000210304_100016988807 [0,2,0,0,0,0|2,0,0]=4 5825 B10R0.19 CC/C=C(\C)/C(=O)NNCC 22a_100000756455_100016988807 [0,2,0,0,0,0|2,0,0]=4 5826 B10R0.19 CC=CC(=O)C(C)CCCC 1458a_100000210699_200011215066 [0,2,0,0,0,0|0,0,0]=2 5827 B10R0.19 CC=CC(=O)N(C)CCC#N 11a_100000184479_100000210699 [0,2,0,0,0,0|1,0,1]=4 5828 B10R0.19 CC=CC(=O)N(C)CCC#N 1626a_100000184479_100000210699 [0,2,0,0,0,0|1,0,1]=4 5829 B10R0.19 CC=CC(=O)N(C)CCC#N 240690a_100000184479_100000210699 [0,2,0,0,0,0|1,0,1]=4 5830 B10R0.19 CC=CC(=O)N(C)CCCC 11a_100000207549_100000210699 [0,2,0,0,0,0|0,0,0]=2 5831 B10R0.19 CC=CC(=O)N(C)CCCC 1626a_100000207549_100000210699 [0,2,0,0,0,0|0,0,0]=2 5832 B10R0.19 CC=CC(=O)N(C)CCCC 240690a_100000207549_100000210699 [0,2,0,0,0,0|0,0,0]=2 5833 B10R0.19 CC=CC(=O)N(C)CCCO 240690a_100000213112_100000210699 [0,2,0,0,0,0|1,0,0]=3 5834 B10R0.19 CC=CC(=O)N(C)CCOC 11a_100000743101_100000210699 [0,2,0,0,0,0|1,0,0]=3 5835 B10R0.19 CC=CC(=O)N(C)CCOC 1626a_100000743101_100000210699 [0,2,0,0,0,0|1,0,0]=3 5836 B10R0.19 CC=CC(=O)N(C)CCOC 240690a_100000743101_100000210699 [0,2,0,0,0,0|1,0,0]=3 5837 B10R0.19 CC=CC(=O)N(C)CCSC 11a_100000686725_100000210699 [0,2,0,0,0,0|1,0,0]=3 5838 B10R0.19 CC=CC(=O)N(C)CCSC 1626a_100000686725_100000210699 [0,2,0,0,0,0|1,0,0]=3 5839 B10R0.19 CC=CC(=O)N(C)CCSC 240690a_100000686725_100000210699 [0,2,0,0,0,0|1,0,0]=3 5840 B10R0.19 CC=CCC(=O)/C(=C/CC)/C 1458a_100016988807_100000070051 [0,2,0,0,0,0|0,0,2]=4 5841 B10R0.19 CC=CCC(=O)C(=O)NCC 1458a_200011297158_100000070051 [0,2,0,0,0,0|1,0,1]=4 5842 B10R0.19 CC=CCC(=O)C(C)CC#N 1458a_100121576822_100009813641 [0,2,0,0,0,0|1,0,1]=4 5843 B10R0.19 CC=CCC(=O)C(C)CCC 1458a_100000210906_100000070051 [0,2,0,0,0,0|0,0,0]=2 5844 B10R0.19 CC=CCC(=O)C(C)CCC 1458a_100121576822_100000766640 [0,2,0,0,0,0|0,0,0]=2 5845 B10R0.19 CC=CCC(=O)C(C)CCO 1458a_100121576822_100009893172 [0,2,0,0,0,0|1,0,0]=3 5846 B10R0.19 CC=CCC(=O)C(C)COC 1458a_100000751857_100000070051 [0,2,0,0,0,0|1,0,0]=3 5847 B10R0.19 CC=CCC(=O)C(C)COC 1458a_100121576822_100000765312 [0,2,0,0,0,0|1,0,0]=3 5848 B10R0.19 CC=CCC(=O)C(C)CSC 1458a_100000753918_100000070051 [0,2,0,0,0,0|1,0,0]=3 5849 B10R0.19 CC=CCC(=O)C(C)OCC 1458a_100000739345_100000070051 [0,2,0,0,0,0|1,0,0]=3 5850 B10R0.19 CC=CCC(=O)C(C)SCC 1458a_100000230601_100000070051 [0,2,0,0,0,0|1,0,0]=3 5851 B10R0.19 CC=CCC(=O)N(C)CCC 11a_100000747261_100121576822 [0,2,0,0,0,0|1,0,0]=3 5852 B10R0.19 CC=CCC(=O)N(C)CCC 1626a_100000747261_100121576822 [0,2,0,0,0,0|1,0,0]=3 5853 B10R0.19 CC=CCC(=O)N(C)CCC 240690a_100000747261_100121576822 [0,2,0,0,0,0|1,0,0]=3 5854 B10R0.19 CC=CCC(=O)N(C)CCC 527a_100000747261_100121576822 [0,2,0,0,0,0|1,0,0]=3 5855 B10R0.19 CC=CCC(=O)N(C)CCO 240690a_100000210263_100121576822 [0,2,0,0,0,0|2,0,0]=4 5856 B10R0.19 CC=CCC(=O)N(C)CCO 527a_100000210263_100121576822 [0,2,0,0,0,0|2,0,0]=4 5857 B10R0.19 CC=CCC(=O)[C@@H](O)CCC 1458a_100009822183_100000070051 [0,2,0,0,0,0|0,0,0]=2 5858 B10R0.19 CC=NNC(=O)C(C)OCC 4a_200015185280_200000210099 [0,2,0,0,0,0|2,0,0]=4 5859 B10R0.19 CCC#CC(=O)C(C)CCC 1458a_100011827653_100000766640 [0,2,0,0,0,0|0,0,2]=4 5860 B10R0.19 CCC=CC(=O)C(C)CC#N 1458a_100000212282_100009813641 [0,2,0,0,0,0|1,0,1]=4 5861 B10R0.19 CCC=CC(=O)C(C)CCC 1458a_100000212282_100000766640 [0,2,0,0,0,0|0,0,0]=2 5862 B10R0.19 CCC=CC(=O)C(C)CCO 1458a_100000212282_100009893172 [0,2,0,0,0,0|1,0,0]=3 5863 B10R0.19 CCC=CC(=O)C(C)COC 1458a_100000212282_100000765312 [0,2,0,0,0,0|1,0,0]=3 5864 B10R0.19 CCC=CC(=O)N(C)CCC 11a_100000747261_100000212282 [0,2,0,0,0,0|1,0,0]=3 5865 B10R0.19 CCC=CC(=O)N(C)CCC 1626a_100000747261_100000212282 [0,2,0,0,0,0|1,0,0]=3 5866 B10R0.19 CCC=CC(=O)N(C)CCC 240690a_100000747261_100000212282 [0,2,0,0,0,0|1,0,0]=3 5867 B10R0.19 CCC=CC(=O)N(C)CCO 240690a_100000210263_100000212282 [0,2,0,0,0,0|2,0,0]=4 5868 B10R0.19 CCCC(=O)C(O)CCSC 1458a_100000685904_100000210303 [0,2,0,0,0,0|0,0,2]=4 5869 B10R0.19 CCCC(C)C(=O)C#CCO 1458a_100000049017_100000766640 [0,2,0,0,0,0|0,0,2]=4 5870 B10R0.19 CCCC(C)C(=O)C=COC 1458a_100016268678_100000766640 [0,2,0,0,0,0|0,0,0]=2 5871 B10R0.19 CCCC(C)C(=O)CCCF 1458a_100000210906_100011934791 [0,2,0,0,0,0|0,0,2]=4 5872 B10R0.19 CCCC(C)C(=O)CCCO 1458a_100000210906_100011215043 [0,2,0,0,0,0|0,0,2]=4 5873 B10R0.19 CCCC(C)C(=O)CCOC 1458a_100000210906_100000233755 [0,2,0,0,0,0|0,0,2]=4 5874 B10R0.19 CCCC(C)C(=O)CCOC 1458a_100000749529_100000766640 [0,2,0,0,0,0|0,0,2]=4 5875 B10R0.19 CCCC(C)C(=O)CCSC 1458a_100000174002_100000766640 [0,2,0,0,0,0|0,0,2]=4 5876 B10R0.19 CCCC(C)C(=O)CCSC 1458a_100000210906_100000751147 [0,2,0,0,0,0|0,0,2]=4 5877 B10R0.19 CCCC(C)C(=O)COCC 1458a_100000211967_100000766640 [0,2,0,0,0,0|0,0,2]=4 5878 B10R0.19 CCCC(C)C(=O)CSCC 1458a_100000230394_100000766640 [0,2,0,0,0,0|0,0,2]=4 5879 B10R0.19 CCCC(C)C(=O)NCCF 11a_100000724931_100000210906 [0,2,0,0,0,0|1,0,1]=4 5880 B10R0.19 CCCC(C)C(=O)NCCF 1626a_100000724931_100000210906 [0,2,0,0,0,0|1,0,1]=4 5881 B10R0.19 CCCC(C)C(=O)NCCF 240690a_100000724931_100000210906 [0,2,0,0,0,0|1,0,1]=4 5882 B10R0.19 CCCC(C)C(=O)NCCF 527a_100000724931_100000210906 [0,2,0,0,0,0|1,0,1]=4 5883 B10R0.19 CCCC(C)C(=O)NCCO 240690a_100000210304_100000210906 [0,2,0,0,0,0|1,0,1]=4 5884 B10R0.19 CCCC(C)C(=O)NCCO 527a_100000210304_100000210906 [0,2,0,0,0,0|1,0,1]=4 5885 B10R0.19 CCCC(C)C(=O)NNCC 22a_100000756455_100000210906 [0,2,0,0,0,0|1,0,1]=4 5886 B10R0.19 CCCCC(=O)/C(=N/OC)/C 1458a_100160996864_100000210211 [0,2,0,0,0,0|1,0,0]=3 5887 B10R0.19 CCCCC(=O)C(=O)NCC 1458a_200011297158_100000210211 [0,2,0,0,0,0|0,0,1]=3 5888 B10R0.19 CCCCC(=O)C(C)CCC 1458a_100000210183_100000766640 [0,2,0,0,0,0|0,0,2]=4 5889 B10R0.19 CCCCC(=O)C(C)CCC 1458a_100000210906_100000210211 [0,2,0,0,0,0|0,0,2]=4 5890 B10R0.19 CCCCC(=O)C(C)CCO 1458a_100000210183_100009893172 [0,2,0,0,0,0|0,0,2]=4 5891 B10R0.19 CCCCC(=O)C(C)COC 1458a_100000210183_100000765312 [0,2,0,0,0,0|0,0,2]=4 5892 B10R0.19 CCCCC(=O)C(C)COC 1458a_100000751857_100000210211 [0,2,0,0,0,0|0,0,2]=4 5893 B10R0.19 CCCCC(=O)C(C)CSC 1458a_100000753918_100000210211 [0,2,0,0,0,0|0,0,2]=4 5894 B10R0.19 CCCCC(=O)C(C)OCC 1458a_100000739345_100000210211 [0,2,0,0,0,0|0,0,2]=4 5895 B10R0.19 CCCCC(=O)C(C)SCC 1458a_100000230601_100000210211 [0,2,0,0,0,0|0,0,2]=4 5896 B10R0.19 CCCCC(=O)N(C)CCC 11a_100000747261_100000210183 [0,2,0,0,0,0|0,0,2]=4 5897 B10R0.19 CCCCC(=O)N(C)CCC 1626a_100000747261_100000210183 [0,2,0,0,0,0|0,0,2]=4 5898 B10R0.19 CCCCC(=O)N(C)CCC 240690a_100000747261_100000210183 [0,2,0,0,0,0|0,0,2]=4 5899 B10R0.19 CCCCC(=O)N(C)CCC 527a_100000747261_100000210183 [0,2,0,0,0,0|0,0,2]=4 5900 B10R0.19 CCCCC(=O)N(C)CCO 240690a_100000210263_100000210183 [0,2,0,0,0,0|1,0,1]=4 5901 B10R0.19 CCCCC(=O)N(C)CCO 527a_100000210263_100000210183 [0,2,0,0,0,0|1,0,1]=4 5902 B10R0.19 CCCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210211 [0,2,0,0,0,0|0,0,2]=4 5903 B10R0.19 CCCCC(C)C(=O)C=CBr 1458a_100016273825_200011215066 [0,2,0,0,0,0|1,0,0]=3 5904 B10R0.19 CCCCC(C)C(=O)C=CCl 1458a_200016279998_200011215066 [0,2,0,0,0,0|1,0,0]=3 5905 B10R0.19 CCCCC(C)C(=O)C=CI 1458a_100016256311_200011215066 [0,2,0,0,0,0|1,0,0]=3 5906 B10R0.19 CCCCC(C)C(=O)CCC 1458a_100000211992_200011215066 [0,2,0,0,0,0|0,0,2]=4 5907 B10R0.19 CCCCC(C)C(=O)CCC 1458a_100000725509_100000210303 [0,2,0,0,0,0|0,0,2]=4 5908 B10R0.19 CCCCC(C)C(=O)COC 1458a_100000210968_200011215066 [0,2,0,0,0,0|1,0,1]=4 5909 B10R0.19 CCCCC(C)C(=O)CSC 1458a_100000184570_200011215066 [0,2,0,0,0,0|1,0,1]=4 5910 B10R0.19 CCCCC(C)C(=O)NCC 11a_100015525214_100000725509 [0,2,0,0,0,0|1,0,1]=4 5911 B10R0.19 CCCCC(C)C(=O)NCC 240690a_100015525214_100000725509 [0,2,0,0,0,0|1,0,1]=4 5912 B10R0.19 CCCCC(C)C(=O)NCC 527a_100015525214_100000725509 [0,2,0,0,0,0|1,0,1]=4 5913 B10R0.19 CCCCC(C)C(=O)NNC 22a_100016993582_100000725509 [0,2,0,0,0,0|2,0,0]=4 5914 B10R0.19 CCCCC(O)C(=O)CCC 1458a_100000720857_100000210303 [0,2,0,0,0,0|0,0,2]=4 5915 B10R0.19 CCCCC(O)C(=O)NCC 240690a_100015525214_100000720857 [0,2,0,0,0,0|1,0,1]=4 5916 B10R0.19 CCCCC(O)C(=O)NCC 527a_100015525214_100000720857 [0,2,0,0,0,0|1,0,1]=4 5917 B10R0.19 CCCCC(O)C(=O)NNC 22a_100016993582_100000720857 [0,2,0,0,0,0|2,0,0]=4 5918 B10R0.19 CCCCN(C)C(=O)C=CBr 1626a_100000207549_100016273825 [0,2,0,0,0,0|1,0,0]=3 5919 B10R0.19 CCCCN(C)C(=O)C=CBr 240690a_100000207549_100016273825 [0,2,0,0,0,0|1,0,0]=3 5920 B10R0.19 CCCCN(C)C(=O)C=CCl 11a_100000207549_200016279998 [0,2,0,0,0,0|1,0,0]=3 5921 B10R0.19 CCCCN(C)C(=O)C=CCl 1626a_100000207549_200016279998 [0,2,0,0,0,0|1,0,0]=3 5922 B10R0.19 CCCCN(C)C(=O)C=CCl 240690a_100000207549_200016279998 [0,2,0,0,0,0|1,0,0]=3 5923 B10R0.19 CCCCN(C)C(=O)C=CI 1626a_100000207549_100016256311 [0,2,0,0,0,0|1,0,0]=3 5924 B10R0.19 CCCCN(C)C(=O)CCC 11a_100000207549_100000211992 [0,2,0,0,0,0|0,0,2]=4 5925 B10R0.19 CCCCN(C)C(=O)CCC 1626a_100000207549_100000211992 [0,2,0,0,0,0|0,0,2]=4 5926 B10R0.19 CCCCN(C)C(=O)CCC 240690a_100000207549_100000211992 [0,2,0,0,0,0|0,0,2]=4 5927 B10R0.19 CCCCN(C)C(=O)CCC 527a_100000207549_100000211992 [0,2,0,0,0,0|0,0,2]=4 5928 B10R0.19 CCCCN(C)C(=O)CNC 2230a_106832991635_100000230175 [0,2,0,0,0,0|1,0,1]=4 5929 B10R0.19 CCCCN(C)C(=O)CNC 34a_100102657272_100000230175 [0,2,0,0,0,0|1,0,1]=4 5930 B10R0.19 CCCCN(C)C(=O)CNC 7a_106832991635_100000230175 [0,2,0,0,0,0|1,0,1]=4 5931 B10R0.19 CCCCN(C)C(=O)COC 11a_100000207549_100000210968 [0,2,0,0,0,0|1,0,1]=4 5932 B10R0.19 CCCCN(C)C(=O)COC 1626a_100000207549_100000210968 [0,2,0,0,0,0|1,0,1]=4 5933 B10R0.19 CCCCN(C)C(=O)COC 240690a_100000207549_100000210968 [0,2,0,0,0,0|1,0,1]=4 5934 B10R0.19 CCCCN(C)C(=O)COC 34a_100138415774_100000230175 [0,2,0,0,0,0|1,0,1]=4 5935 B10R0.19 CCCCN(C)C(=O)COC 527a_100000207549_100000210968 [0,2,0,0,0,0|1,0,1]=4 5936 B10R0.19 CCCCN(C)C(=O)CSC 11a_100000207549_100000184570 [0,2,0,0,0,0|1,0,1]=4 5937 B10R0.19 CCCCN(C)C(=O)CSC 1626a_100000207549_100000184570 [0,2,0,0,0,0|1,0,1]=4 5938 B10R0.19 CCCCN(C)C(=O)CSC 240690a_100000207549_100000184570 [0,2,0,0,0,0|1,0,1]=4 5939 B10R0.19 CCCCN(C)C(=O)CSC 527a_100000207549_100000184570 [0,2,0,0,0,0|1,0,1]=4 5940 B10R0.19 CCCCN(C)C(=O)CSC 62a_100000230175_200000210301 [0,2,0,0,0,0|1,0,1]=4 5941 B10R0.19 CCCCN(C)C(=O)CSC 62a_200000210301_100000230175 [0,2,0,0,0,0|1,0,1]=4 5942 B10R0.19 CCCCN(C)C(=O)CS[13CH3] 62a_100000230175_200025704644 [0,2,0,0,0,0|1,0,1]=4 5943 B10R0.19 CCCCN(C)C(=O)CS[13CH3] 62a_200025704644_100000230175 [0,2,0,0,0,0|1,0,1]=4 5944 B10R0.19 CCCCN(C)C(=O)NCC 2708a_100015525214_100000207549 [0,2,0,0,0,0|1,0,1]=4 5945 B10R0.19 CCCCN(C)C(=O)NCC 273464a_100015525214_100000207549 [0,2,0,0,0,0|1,0,1]=4 5946 B10R0.19 CCCN(C)C(=O)C=COC 1626a_100000747261_100016268678 [0,2,0,0,0,0|1,0,0]=3 5947 B10R0.19 CCCN(C)C(=O)C=COC 240690a_100000747261_100016268678 [0,2,0,0,0,0|1,0,0]=3 5948 B10R0.19 CCCNC(=O)/C(=N/OC)/C 11a_100020643023_100160996864 [0,2,0,0,0,0|2,0,0]=4 5949 B10R0.19 CCCNC(=O)/C(=N/OC)/C 240690a_100020643023_100160996864 [0,2,0,0,0,0|2,0,0]=4 5950 B10R0.19 CCCNC(=O)C(=O)CCC 1458a_200011297150_100000210303 [0,2,0,0,0,0|1,0,1]=4 5951 B10R0.19 CCCNC(=O)C(=O)CCF 1458a_200011297150_100011217306 [0,2,0,0,0,0|1,0,1]=4 5952 B10R0.19 CCCNC(=O)C(=O)CCO 1458a_200011297150_100000211926 [0,2,0,0,0,0|1,0,1]=4 5953 B10R0.19 CCCNC(=O)C(=O)NCC 1626a_100020643023_200011297158 [0,2,0,0,0,0|1,0,1]=4 5954 B10R0.19 CCCNC(=O)C(=O)NCC 240690a_100015525214_200011297150 [0,2,0,0,0,0|1,0,1]=4 5955 B10R0.19 CCCNC(=O)C(=O)NCC 240690a_100020643023_200011297158 [0,2,0,0,0,0|1,0,1]=4 5956 B10R0.19 CCCNC(=O)C(=O)NCC 527a_100015525214_200011297150 [0,2,0,0,0,0|1,0,1]=4 5957 B10R0.19 CCCNC(=O)C(=O)NCC 527a_100020643023_200011297158 [0,2,0,0,0,0|1,0,1]=4 5958 B10R0.19 CCCNC(=O)C(=O)NNC 22a_100016993582_200011297150 [0,2,0,0,0,0|2,0,0]=4 5959 B10R0.19 CCCNC(=O)C(=O)OCC 11a_100020643023_100014798877 [0,2,0,0,0,0|1,0,1]=4 5960 B10R0.19 CCCNC(=O)C(=O)OCC 1626a_100020643023_100014798877 [0,2,0,0,0,0|1,0,1]=4 5961 B10R0.19 CCCNC(=O)C(=O)OCC 240690a_100020643023_100014798877 [0,2,0,0,0,0|1,0,1]=4 5962 B10R0.19 CCCNC(=O)C(C)CCC 11a_100020643023_100000210906 [0,2,0,0,0,0|0,0,2]=4 5963 B10R0.19 CCCNC(=O)C(C)CCC 1626a_100020643023_100000210906 [0,2,0,0,0,0|0,0,2]=4 5964 B10R0.19 CCCNC(=O)C(C)CCC 240690a_100020643023_100000210906 [0,2,0,0,0,0|0,0,2]=4 5965 B10R0.19 CCCNC(=O)C(C)CCC 527a_100020643023_100000210906 [0,2,0,0,0,0|0,0,2]=4 5966 B10R0.19 CCCNC(=O)[C@@H](O)CCC 240690a_100020643023_100009822183 [0,2,0,0,0,0|0,0,2]=4 5967 B10R0.19 CCCNC(C)C(=O)NCC 2230a_100000736553_100000210303 [0,2,0,0,0,0|1,0,1]=4 5968 B10R0.19 CCCNC(C)C(=O)NCC 34a_100000736553_100000210303 [0,2,0,0,0,0|1,0,1]=4 5969 B10R0.19 CCCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210303 [0,2,0,0,0,0|1,0,1]=4 5970 B10R0.19 CCCOC(C)C(=O)NCC 34a_100000210258_100000230173 [0,2,0,0,0,0|1,0,1]=4 5971 B10R0.19 CCCOC(C)C(=O)OCC 34a_100000210258_100011216346 [0,2,0,0,0,0|1,0,1]=4 5972 B10R0.19 CCCOC(F)C(=O)OCC 34a_100000210258_100000760018 [0,2,0,0,0,0|1,0,1]=4 5973 B10R0.19 CCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210303 [0,2,0,0,0,0|1,0,1]=4 5974 B10R0.19 CCCSC(C)C(=O)NCC 62a_100000210303_100000230173 [0,2,0,0,0,0|1,0,1]=4 5975 B10R0.19 CCCSC(C)C(=O)NCC 62a_100000230173_100000210303 [0,2,0,0,0,0|1,0,1]=4 5976 B10R0.19 CCCSC(C)C(=O)OCC 62a_100000210303_100011216346 [0,2,0,0,0,0|1,0,1]=4 5977 B10R0.19 CCCSC(C)C(=O)OCC 62a_100011216346_100000210303 [0,2,0,0,0,0|1,0,1]=4 5978 B10R0.19 CCCSC(F)C(=O)OCC 62a_100000210303_100000760018 [0,2,0,0,0,0|1,0,1]=4 5979 B10R0.19 CCCSC(F)C(=O)OCC 62a_100000760018_100000210303 [0,2,0,0,0,0|1,0,1]=4 5980 B10R0.19 CCC[C@H](O)C(=O)CCCF 1458a_100009822183_100011934791 [0,2,0,0,0,0|0,0,2]=4 5981 B10R0.19 CCC[C@H](O)C(=O)CCCO 1458a_100009822183_100011215043 [0,2,0,0,0,0|0,0,2]=4 5982 B10R0.19 CCC[C@H](O)C(=O)CCOC 1458a_100009822183_100000233755 [0,2,0,0,0,0|0,0,2]=4 5983 B10R0.19 CCC[C@H](O)C(=O)CCSC 1458a_100009822183_100000751147 [0,2,0,0,0,0|0,0,2]=4 5984 B10R0.19 CCC[C@H](O)C(=O)NCCF 240690a_100000724931_100009822183 [0,2,0,0,0,0|1,0,1]=4 5985 B10R0.19 CCC[C@H](O)C(=O)NCCO 240690a_100000210304_100009822183 [0,2,0,0,0,0|1,0,1]=4 5986 B10R0.19 CCC[C@H](O)C(=O)NNCC 22a_100000756455_100009822183 [0,2,0,0,0,0|1,0,1]=4 5987 B10R0.19 CCNC(=O)C(=O)CCCF 1458a_200011297158_100011934791 [0,2,0,0,0,0|1,0,1]=4 5988 B10R0.19 CCNC(=O)C(=O)CCCO 1458a_200011297158_100011215043 [0,2,0,0,0,0|1,0,1]=4 5989 B10R0.19 CCNC(=O)C(=O)CCOC 1458a_200011297158_100000233755 [0,2,0,0,0,0|1,0,1]=4 5990 B10R0.19 CCNC(=O)C(=O)CCSC 1458a_200011297158_100000751147 [0,2,0,0,0,0|1,0,1]=4 5991 B10R0.19 CCNC(=O)C(O)CCSC 240690a_100015525214_100000685904 [0,2,0,0,0,0|1,0,1]=4 5992 B10R0.19 CCOC(=O)C(=O)CSCC 62a_100000210202_100000211299 [0,2,0,0,0,0|1,0,1]=4 5993 B10R0.19 CCOC(=O)C(=O)CSCC 62a_100000211299_100000210202 [0,2,0,0,0,0|1,0,1]=4 5994 B10R0.19 CN(CCCO)C(=O)C=CBr 240690a_100000213112_100016273825 [0,2,0,0,0,0|2,0,0]=4 5995 B10R0.19 CN(CCCO)C(=O)C=CCl 240690a_100000213112_200016279998 [0,2,0,0,0,0|2,0,0]=4 5996 B10R0.19 CNNC(=O)C(O)CCSC 22a_100016993582_100000685904 [0,2,0,0,0,0|2,0,0]=4 5997 B10R0.19 CO/N=C(\C)/C(=O)CCCF 1458a_100160996864_100011934791 [0,2,0,0,0,0|2,0,0]=4 5998 B10R0.19 CO/N=C(\C)/C(=O)CCCO 1458a_100160996864_100011215043 [0,2,0,0,0,0|2,0,0]=4 5999 B10R0.19 CO/N=C(\C)/C(=O)CCSC 1458a_100160996864_100000751147 [0,2,0,0,0,0|2,0,0]=4 6000 B10R0.19 COC=CC(=O)C(C)CC#N 1458a_100016268678_100009813641 [0,2,0,0,0,0|1,0,1]=4 6001 B10R0.19 COC=CC(=O)C(C)CCO 1458a_100016268678_100009893172 [0,2,0,0,0,0|1,0,0]=3 6002 B10R0.19 COC=CC(=O)C(C)COC 1458a_100016268678_100000765312 [0,2,0,0,0,0|1,0,0]=3 6003 B10R0.19 COC=CC(=O)N(C)CCO 240690a_100000210263_100016268678 [0,2,0,0,0,0|2,0,0]=4 6004 B10R0.19 COCCC(=O)/C(=N/OC)/C 1458a_100160996864_100000233755 [0,2,0,0,0,0|2,0,0]=4 6005 B10R0.19 COCCN(C)C(=O)C=CBr 1626a_100000743101_100016273825 [0,2,0,0,0,0|2,0,0]=4 6006 B10R0.19 COCCN(C)C(=O)C=CBr 240690a_100000743101_100016273825 [0,2,0,0,0,0|2,0,0]=4 6007 B10R0.19 COCCN(C)C(=O)C=CCl 11a_100000743101_200016279998 [0,2,0,0,0,0|2,0,0]=4 6008 B10R0.19 COCCN(C)C(=O)C=CCl 1626a_100000743101_200016279998 [0,2,0,0,0,0|2,0,0]=4 6009 B10R0.19 COCCN(C)C(=O)C=CCl 240690a_100000743101_200016279998 [0,2,0,0,0,0|2,0,0]=4 6010 B10R0.19 COCCN(C)C(=O)C=CI 1626a_100000743101_100016256311 [0,2,0,0,0,0|2,0,0]=4 6011 B10R0.19 CSCCN(C)C(=O)C=CBr 1626a_100000686725_100016273825 [0,2,0,0,0,0|2,0,0]=4 6012 B10R0.19 CSCCN(C)C(=O)C=CBr 240690a_100000686725_100016273825 [0,2,0,0,0,0|2,0,0]=4 6013 B10R0.19 CSCCN(C)C(=O)C=CCl 11a_100000686725_200016279998 [0,2,0,0,0,0|2,0,0]=4 6014 B10R0.19 CSCCN(C)C(=O)C=CCl 1626a_100000686725_200016279998 [0,2,0,0,0,0|2,0,0]=4 6015 B10R0.19 CSCCN(C)C(=O)C=CCl 240690a_100000686725_200016279998 [0,2,0,0,0,0|2,0,0]=4 6016 B10R0.19 CSCCN(C)C(=O)C=CI 1626a_100000686725_100016256311 [0,2,0,0,0,0|2,0,0]=4 6017 B10R0.24 CC=CC(=NNCCC)CC 4a_100000740057_100102568992 [0,2,0,0,0,0|2,0,0]=4 6018 B10R0.83 C#CCCCC(=O)/C(=C/C)/C 1458a_100020587367_100000731252 [0,2,0,0,0,0|0,0,1]=3 6019 B10R0.83 C#CCCCC(=O)C(=O)NC 1458a_100011218921_100000731252 [0,2,0,0,0,0|1,0,1]=4 6020 B10R0.83 C#CCCNC(=O)/C(=C/C)/C 11a_100000755551_100020587367 [0,2,0,0,0,0|0,0,2]=4 6021 B10R0.83 C#CCCNC(=O)/C(=C/C)/C 1626a_100000755551_100020587367 [0,2,0,0,0,0|0,0,2]=4 6022 B10R0.83 C/C=C(\C)/C(=NNCCC)C 4a_100000740057_100020675665 [0,2,0,0,0,0|2,0,0]=4 6023 B10R0.83 C/C=C(\C)/C(=O)C/C=C\CC 1458a_100020587367_100103147603 [0,2,0,0,0,0|0,0,1]=3 6024 B10R0.83 C/C=C(\C)/C(=O)CC#CCC 1458a_100020587367_100009813939 [0,2,0,0,0,0|0,0,1]=3 6025 B10R0.83 C/C=C(\C)/C(=O)CC#CCO 1458a_100020587367_200000047223 [0,2,0,0,0,0|0,0,2]=4 6026 B10R0.83 C/C=C(\C)/C(=O)CCCC#N 1458a_100020587367_100000211468 [0,2,0,0,0,0|0,0,1]=3 6027 B10R0.83 C/C=C(\C)/C(=O)CCCCC 1458a_100020587367_100000210326 [0,2,0,0,0,0|0,0,0]=2 6028 B10R0.83 C/C=C(\C)/C(=O)CCCCF 1458a_100020587367_100000729493 [0,2,0,0,0,0|0,0,0]=2 6029 B10R0.83 C/C=C(\C)/C(=O)CCCCO 1458a_100020587367_100000210776 [0,2,0,0,0,0|0,0,0]=2 6030 B10R0.83 C/C=C(\C)/C(=O)CCCOC 1458a_100020587367_100000740836 [0,2,0,0,0,0|0,0,0]=2 6031 B10R0.83 C/C=C(\C)/C(=O)CCOCC 1458a_100020587367_100011215890 [0,2,0,0,0,0|0,0,0]=2 6032 B10R0.83 C/C=C(\C)/C(=O)CCSCC 1458a_100020587367_100000757381 [0,2,0,0,0,0|0,0,0]=2 6033 B10R0.83 C/C=C(\C)/C(=O)NCCC#N 11a_100000720768_100020587367 [0,2,0,0,0,0|1,0,1]=4 6034 B10R0.83 C/C=C(\C)/C(=O)NCCC#N 1626a_100000720768_100020587367 [0,2,0,0,0,0|1,0,1]=4 6035 B10R0.83 C/C=C(\C)/C(=O)NCCCC 11a_100000102301_100020587367 [0,2,0,0,0,0|0,0,0]=2 6036 B10R0.83 C/C=C(\C)/C(=O)NCCCC 1626a_100000102301_100020587367 [0,2,0,0,0,0|0,0,0]=2 6037 B10R0.83 C/C=C(\C)/C(=O)NCCCF 11a_100015189416_100020587367 [0,2,0,0,0,0|1,0,0]=3 6038 B10R0.83 C/C=C(\C)/C(=O)NCCCF 1626a_100015189416_100020587367 [0,2,0,0,0,0|1,0,0]=3 6039 B10R0.83 C/C=C(\C)/C(=O)NCCOC 1626a_100000209980_100020587367 [0,2,0,0,0,0|1,0,0]=3 6040 B10R0.83 C/C=C(\C)/C(=O)NCCSC 11a_100020590264_100020587367 [0,2,0,0,0,0|1,0,0]=3 6041 B10R0.83 C/C=C(\C)/C(=O)NCCSC 1626a_100020590264_100020587367 [0,2,0,0,0,0|1,0,0]=3 6042 B10R0.83 C/C=C(\C)/C(=O)NNCCC 22a_100000740057_100020587367 [0,2,0,0,0,0|1,0,0]=3 6043 B10R0.83 C/C=C(\C)/C(=O)NNCCO 22a_100000210001_100020587367 [0,2,0,0,0,0|2,0,0]=4 6044 B10R0.83 C/C=C(\C)/C(C)NCCCC 269862a_100000102301_100020675665 [0,2,0,0,0,0|1,0,1]=4 6045 B10R0.83 C=C(COCCC)C(=O)OC 34a_100000210258_100009813391 [0,2,0,0,0,0|2,0,0]=4 6046 B10R0.83 C=C(CSCCC)C(=O)OC 62a_100000210303_100009813391 [0,2,0,0,0,0|2,0,0]=4 6047 B10R0.83 C=C(CSCCC)C(=O)OC 62a_100009813391_100000210303 [0,2,0,0,0,0|2,0,0]=4 6048 B10R0.83 C=CC(C)C(=O)CCCCC 1458a_100011216780_100000210326 [0,2,0,0,0,0|0,0,2]=4 6049 B10R0.83 C=CC(C)C(=O)CCCCF 1458a_100011216780_100000729493 [0,2,0,0,0,0|0,0,2]=4 6050 B10R0.83 C=CC(C)C(=O)CCCCO 1458a_100011216780_100000210776 [0,2,0,0,0,0|0,0,2]=4 6051 B10R0.83 C=CC(C)C(=O)CCCOC 1458a_100011216780_100000740836 [0,2,0,0,0,0|0,0,2]=4 6052 B10R0.83 C=CC(C)C(=O)CCOCC 1458a_100011216780_100011215890 [0,2,0,0,0,0|0,0,2]=4 6053 B10R0.83 C=CC(C)C(=O)CCSCC 1458a_100011216780_100000757381 [0,2,0,0,0,0|0,0,2]=4 6054 B10R0.83 C=CC(C)C(=O)NCCCC 11a_100000102301_100011216780 [0,2,0,0,0,0|0,0,2]=4 6055 B10R0.83 C=CC(C)C(=O)NCCCC 1626a_100000102301_100011216780 [0,2,0,0,0,0|0,0,2]=4 6056 B10R0.83 C=CC(C)C(=O)NCCCC 240690a_100000102301_100011216780 [0,2,0,0,0,0|0,0,2]=4 6057 B10R0.83 C=CC(C)C(=O)NCCCC 527a_100000102301_100011216780 [0,2,0,0,0,0|0,0,2]=4 6058 B10R0.83 C=CCCCC(=O)/C(=C/C)/C 1458a_100020587367_100000757094 [0,2,0,0,0,0|0,0,1]=3 6059 B10R0.83 C=CCCCC(=O)C(=O)NC 1458a_100011218921_100000757094 [0,2,0,0,0,0|1,0,1]=4 6060 B10R0.83 C=CCCNC(=O)/C(=C/C)/C 11a_100015191253_100020587367 [0,2,0,0,0,0|0,0,2]=4 6061 B10R0.83 C=CCCNC(=O)/C(=C/C)/C 1626a_100015191253_100020587367 [0,2,0,0,0,0|0,0,2]=4 6062 B10R0.83 C=COCCC(=O)/C(=C/C)/C 1458a_100020587367_100000039644 [0,2,0,0,0,0|0,0,2]=4 6063 B10R0.83 CC#CCNC(=O)/C(=C/C)/C 11a_100000685387_100020587367 [0,2,0,0,0,0|0,0,2]=4 6064 B10R0.83 CC#CCNC(=O)/C(=C/C)/C 1626a_100000685387_100020587367 [0,2,0,0,0,0|0,0,2]=4 6065 B10R0.83 CC/C=C\CC(=O)C(=O)NC 1458a_100011218921_100103147603 [0,2,0,0,0,0|1,0,1]=4 6066 B10R0.83 CCC#CCC(=O)C(=O)NC 1458a_100011218921_100009813939 [0,2,0,0,0,0|1,0,1]=4 6067 B10R0.83 CCC(C)C(=O)CCCCF 1458a_100011192722_100000729493 [0,2,0,0,0,0|0,0,2]=4 6068 B10R0.83 CCC(C)C(=O)CCCCO 1458a_100000695505_100000758301 [0,2,0,0,0,0|0,0,2]=4 6069 B10R0.83 CCC(C)C(=O)CCCCO 1458a_100011192722_100000210776 [0,2,0,0,0,0|0,0,2]=4 6070 B10R0.83 CCC(C)C(=O)CCCOC 1458a_100000741012_100000758301 [0,2,0,0,0,0|0,0,2]=4 6071 B10R0.83 CCC(C)C(=O)CCCOC 1458a_100011192722_100000740836 [0,2,0,0,0,0|0,0,2]=4 6072 B10R0.83 CCC(C)C(=O)CCCSC 1458a_100000173376_100000758301 [0,2,0,0,0,0|0,0,2]=4 6073 B10R0.83 CCC(O)C(=O)CCCCF 1458a_100011196387_100000729493 [0,2,0,0,0,0|0,0,2]=4 6074 B10R0.83 CCC(O)C(=O)CCCCO 1458a_100011196387_100000210776 [0,2,0,0,0,0|0,0,2]=4 6075 B10R0.83 CCC(O)C(=O)CCCOC 1458a_100011196387_100000740836 [0,2,0,0,0,0|0,0,2]=4 6076 B10R0.83 CCCCCC(=O)C(=O)NC 1458a_100011218921_100000210326 [0,2,0,0,0,0|1,0,0]=3 6077 B10R0.83 CCCCCC(=O)C(C)CC 1458a_100000212188_100000758301 [0,2,0,0,0,0|0,0,2]=4 6078 B10R0.83 CCCCCC(=O)C(C)CC 1458a_100011192722_100000210326 [0,2,0,0,0,0|0,0,2]=4 6079 B10R0.83 CCCCCC(=O)C(C)OC 1458a_100000743197_100000210326 [0,2,0,0,0,0|1,0,1]=4 6080 B10R0.83 CCCCCC(=O)C(C)SC 1458a_100000149566_100000210326 [0,2,0,0,0,0|1,0,1]=4 6081 B10R0.83 CCCCCC(=O)C(O)CC 1458a_100011196387_100000210326 [0,2,0,0,0,0|0,0,2]=4 6082 B10R0.83 CCCCCC(=O)N(C)CC 11a_100000225621_100000212188 [0,2,0,0,0,0|1,0,1]=4 6083 B10R0.83 CCCCCC(=O)N(C)CC 1626a_100000225621_100000212188 [0,2,0,0,0,0|1,0,1]=4 6084 B10R0.83 CCCCCC(=O)N(C)CC 240690a_100000225621_100000212188 [0,2,0,0,0,0|1,0,1]=4 6085 B10R0.83 CCCCCC(=O)N(C)CC 527a_100000225621_100000212188 [0,2,0,0,0,0|1,0,1]=4 6086 B10R0.83 CCCCNC(=O)C(=O)NC 1626a_100000102301_100011218921 [0,2,0,0,0,0|1,0,0]=3 6087 B10R0.83 CCCCNC(=O)C(=O)NC 240690a_100000102301_100011218921 [0,2,0,0,0,0|1,0,0]=3 6088 B10R0.83 CCCCNC(=O)C(=O)NC 527a_100000102301_100011218921 [0,2,0,0,0,0|1,0,0]=3 6089 B10R0.83 CCCCNC(=O)C(=O)OC 11a_100000102301_100000024059 [0,2,0,0,0,0|1,0,0]=3 6090 B10R0.83 CCCCNC(=O)C(=O)OC 1626a_100000102301_100000024059 [0,2,0,0,0,0|1,0,0]=3 6091 B10R0.83 CCCCNC(=O)C(=O)OC 240690a_100000102301_100000024059 [0,2,0,0,0,0|1,0,0]=3 6092 B10R0.83 CCCCNC(=O)C(=O)OC 527a_100000102301_100000024059 [0,2,0,0,0,0|1,0,0]=3 6093 B10R0.83 CCCCNC(=O)C(C)CC 11a_100000102301_100011192722 [0,2,0,0,0,0|0,0,2]=4 6094 B10R0.83 CCCCNC(=O)C(C)CC 1626a_100000102301_100011192722 [0,2,0,0,0,0|0,0,2]=4 6095 B10R0.83 CCCCNC(=O)C(C)CC 240690a_100000102301_100011192722 [0,2,0,0,0,0|0,0,2]=4 6096 B10R0.83 CCCCNC(=O)C(C)CC 527a_100000102301_100011192722 [0,2,0,0,0,0|0,0,2]=4 6097 B10R0.83 CCCCNC(=O)C(C)NC 2230a_106832991635_100000735917 [0,2,0,0,0,0|1,0,1]=4 6098 B10R0.83 CCCCNC(=O)C(C)NC 34a_100102657272_100000735917 [0,2,0,0,0,0|1,0,1]=4 6099 B10R0.83 CCCCNC(=O)C(C)NC 7a_106832991635_100000735917 [0,2,0,0,0,0|1,0,1]=4 6100 B10R0.83 CCCCNC(=O)C(C)OC 11a_100000102301_100000743197 [0,2,0,0,0,0|1,0,1]=4 6101 B10R0.83 CCCCNC(=O)C(C)OC 1626a_100000102301_100000743197 [0,2,0,0,0,0|1,0,1]=4 6102 B10R0.83 CCCCNC(=O)C(C)OC 240690a_100000102301_100000743197 [0,2,0,0,0,0|1,0,1]=4 6103 B10R0.83 CCCCNC(=O)C(C)OC 34a_100138415774_100000735917 [0,2,0,0,0,0|1,0,1]=4 6104 B10R0.83 CCCCNC(=O)C(C)OC 527a_100000102301_100000743197 [0,2,0,0,0,0|1,0,1]=4 6105 B10R0.83 CCCCNC(=O)C(C)SC 11a_100000102301_100000149566 [0,2,0,0,0,0|1,0,1]=4 6106 B10R0.83 CCCCNC(=O)C(C)SC 1626a_100000102301_100000149566 [0,2,0,0,0,0|1,0,1]=4 6107 B10R0.83 CCCCNC(=O)C(C)SC 240690a_100000102301_100000149566 [0,2,0,0,0,0|1,0,1]=4 6108 B10R0.83 CCCCNC(=O)C(C)SC 527a_100000102301_100000149566 [0,2,0,0,0,0|1,0,1]=4 6109 B10R0.83 CCCCNC(=O)C(C)SC 62a_100000735917_200000210301 [0,2,0,0,0,0|1,0,1]=4 6110 B10R0.83 CCCCNC(=O)C(C)SC 62a_200000210301_100000735917 [0,2,0,0,0,0|1,0,1]=4 6111 B10R0.83 CCCCNC(=O)C(C)S[13CH3] 62a_100000735917_200025704644 [0,2,0,0,0,0|1,0,1]=4 6112 B10R0.83 CCCCNC(=O)C(C)S[13CH3] 62a_200025704644_100000735917 [0,2,0,0,0,0|1,0,1]=4 6113 B10R0.83 CCCCNC(=O)C(O)CC 240690a_100000102301_100011196387 [0,2,0,0,0,0|0,0,2]=4 6114 B10R0.83 CCCCNC(=O)N(C)CC 2708a_100000102301_100000225621 [0,2,0,0,0,0|1,0,1]=4 6115 B10R0.83 CCCCNC(=O)N(C)CC 273464a_100000102301_100000225621 [0,2,0,0,0,0|1,0,1]=4 6116 B10R0.83 CCCCOC(=O)C(C)NC 2230a_106832991635_100000759602 [0,2,0,0,0,0|1,0,1]=4 6117 B10R0.83 CCCCOC(=O)C(C)NC 34a_100102657272_100000759602 [0,2,0,0,0,0|1,0,1]=4 6118 B10R0.83 CCCCOC(=O)C(C)NC 7a_106832991635_100000759602 [0,2,0,0,0,0|1,0,1]=4 6119 B10R0.83 CCCCOC(=O)C(C)OC 34a_100000038973_200000210301 [0,2,0,0,0,0|1,0,1]=4 6120 B10R0.83 CCCCOC(=O)C(C)OC 34a_100138415774_100000759602 [0,2,0,0,0,0|1,0,1]=4 6121 B10R0.83 CCCCOC(=O)C(C)OC 7a_100000038973_200000210301 [0,2,0,0,0,0|1,0,1]=4 6122 B10R0.83 CCCCOC(=O)C(C)O[13CH3] 34a_100000038973_200025704644 [0,2,0,0,0,0|1,0,1]=4 6123 B10R0.83 CCCCOC(=O)C(C)O[13CH3] 7a_100000038973_200025704644 [0,2,0,0,0,0|1,0,1]=4 6124 B10R0.83 CCCCOC(=O)C(C)SC 62a_100000759602_200000210301 [0,2,0,0,0,0|1,0,1]=4 6125 B10R0.83 CCCCOC(=O)C(C)SC 62a_200000210301_100000759602 [0,2,0,0,0,0|1,0,1]=4 6126 B10R0.83 CCCCOC(=O)C(C)S[13CH3] 62a_100000759602_200025704644 [0,2,0,0,0,0|1,0,1]=4 6127 B10R0.83 CCCCOC(=O)C(C)S[13CH3] 62a_200025704644_100000759602 [0,2,0,0,0,0|1,0,1]=4 6128 B10R0.83 CCCNCC(=O)N(C)OC 2230a_100015207273_100000210303 [0,2,0,0,0,0|2,0,0]=4 6129 B10R0.83 CCCNNC(=O)C(=O)NC 22a_100000740057_100011218921 [0,2,0,0,0,0|2,0,0]=4 6130 B10R0.83 CCCOCC(=O)C(=O)OC 34a_100000210258_100011610305 [0,2,0,0,0,0|1,0,0]=3 6131 B10R0.83 CCCOCC(=O)C(C)CC 1458a_100000745993_100000758301 [0,2,0,0,0,0|0,0,2]=4 6132 B10R0.83 CCCOCC(=O)N(C)CC 11a_100000225621_100000745993 [0,2,0,0,0,0|1,0,1]=4 6133 B10R0.83 CCCOCC(=O)N(C)CC 1626a_100000225621_100000745993 [0,2,0,0,0,0|1,0,1]=4 6134 B10R0.83 CCCOCC(=O)N(C)CC 240690a_100000225621_100000745993 [0,2,0,0,0,0|1,0,1]=4 6135 B10R0.83 CCCOCC(=O)N(C)CC 34a_100000210258_100000738999 [0,2,0,0,0,0|1,0,1]=4 6136 B10R0.83 CCCOCC(=O)N(C)CC 527a_100000225621_100000745993 [0,2,0,0,0,0|1,0,1]=4 6137 B10R0.83 CCCSCC(=O)C(=O)OC 62a_100000210303_100011610305 [0,2,0,0,0,0|1,0,0]=3 6138 B10R0.83 CCCSCC(=O)C(=O)OC 62a_100011610305_100000210303 [0,2,0,0,0,0|1,0,0]=3 6139 B10R0.83 CCCSCC(=O)C(C)CC 1458a_100000217233_100000758301 [0,2,0,0,0,0|0,0,2]=4 6140 B10R0.83 CCCSCC(=O)N(C)CC 11a_100000225621_100000217233 [0,2,0,0,0,0|1,0,1]=4 6141 B10R0.83 CCCSCC(=O)N(C)CC 1626a_100000225621_100000217233 [0,2,0,0,0,0|1,0,1]=4 6142 B10R0.83 CCCSCC(=O)N(C)CC 240690a_100000225621_100000217233 [0,2,0,0,0,0|1,0,1]=4 6143 B10R0.83 CCCSCC(=O)N(C)CC 527a_100000225621_100000217233 [0,2,0,0,0,0|1,0,1]=4 6144 B10R0.83 CCCSCC(=O)N(C)CC 62a_100000210303_100000738999 [0,2,0,0,0,0|1,0,1]=4 6145 B10R0.83 CCCSCC(=O)N(C)CC 62a_100000738999_100000210303 [0,2,0,0,0,0|1,0,1]=4 6146 B10R0.83 CCCSCC(=O)N(C)OC 62a_100000210303_100000764215 [0,2,0,0,0,0|2,0,0]=4 6147 B10R0.83 CCCSCC(=O)N(C)OC 62a_100000764215_100000210303 [0,2,0,0,0,0|2,0,0]=4 6148 B10R0.83 CCN(C)C(=O)CCCCO 1626a_100000225621_100000695505 [0,2,0,0,0,0|1,0,1]=4 6149 B10R0.83 CCN(C)C(=O)CCCOC 11a_100000225621_100000741012 [0,2,0,0,0,0|1,0,1]=4 6150 B10R0.83 CCN(C)C(=O)CCCOC 1626a_100000225621_100000741012 [0,2,0,0,0,0|1,0,1]=4 6151 B10R0.83 CCN(C)C(=O)CCCOC 240690a_100000225621_100000741012 [0,2,0,0,0,0|1,0,1]=4 6152 B10R0.83 CCN(C)C(=O)CCCOC 527a_100000225621_100000741012 [0,2,0,0,0,0|1,0,1]=4 6153 B10R0.83 CCN(C)C(=O)CCCSC 11a_100000225621_100000173376 [0,2,0,0,0,0|1,0,1]=4 6154 B10R0.83 CCN(C)C(=O)CCCSC 1626a_100000225621_100000173376 [0,2,0,0,0,0|1,0,1]=4 6155 B10R0.83 CCN(C)C(=O)CCCSC 240690a_100000225621_100000173376 [0,2,0,0,0,0|1,0,1]=4 6156 B10R0.83 CCN(C)C(=O)CCCSC 527a_100000225621_100000173376 [0,2,0,0,0,0|1,0,1]=4 6157 B10R0.83 CCOCCC(=O)C(=O)NC 1458a_100011218921_100011215890 [0,2,0,0,0,0|1,0,0]=3 6158 B10R0.83 CCOCCC(=O)C(C)CC 1458a_100000749530_100000758301 [0,2,0,0,0,0|0,0,2]=4 6159 B10R0.83 CCOCCC(=O)C(C)CC 1458a_100011192722_100011215890 [0,2,0,0,0,0|0,0,2]=4 6160 B10R0.83 CCOCCC(=O)C(C)OC 1458a_100000743197_100011215890 [0,2,0,0,0,0|1,0,1]=4 6161 B10R0.83 CCOCCC(=O)C(C)SC 1458a_100000149566_100011215890 [0,2,0,0,0,0|1,0,1]=4 6162 B10R0.83 CCOCCC(=O)C(O)CC 1458a_100011196387_100011215890 [0,2,0,0,0,0|0,0,2]=4 6163 B10R0.83 CCOCCC(=O)N(C)CC 11a_100000225621_100000749530 [0,2,0,0,0,0|1,0,1]=4 6164 B10R0.83 CCOCCC(=O)N(C)CC 1626a_100000225621_100000749530 [0,2,0,0,0,0|1,0,1]=4 6165 B10R0.83 CCOCCC(=O)N(C)CC 240690a_100000225621_100000749530 [0,2,0,0,0,0|1,0,1]=4 6166 B10R0.83 CCOCCC(=O)N(C)CC 527a_100000225621_100000749530 [0,2,0,0,0,0|1,0,1]=4 6167 B10R0.83 CCSCCC(=O)C(=O)NC 1458a_100011218921_100000757381 [0,2,0,0,0,0|1,0,0]=3 6168 B10R0.83 CCSCCC(=O)C(C)CC 1458a_100000230768_100000758301 [0,2,0,0,0,0|0,0,2]=4 6169 B10R0.83 CCSCCC(=O)C(C)CC 1458a_100011192722_100000757381 [0,2,0,0,0,0|0,0,2]=4 6170 B10R0.83 CCSCCC(=O)C(C)OC 1458a_100000743197_100000757381 [0,2,0,0,0,0|1,0,1]=4 6171 B10R0.83 CCSCCC(=O)C(C)SC 1458a_100000149566_100000757381 [0,2,0,0,0,0|1,0,1]=4 6172 B10R0.83 CCSCCC(=O)C(O)CC 1458a_100011196387_100000757381 [0,2,0,0,0,0|0,0,2]=4 6173 B10R0.83 CCSCCC(=O)N(C)CC 11a_100000225621_100000230768 [0,2,0,0,0,0|1,0,1]=4 6174 B10R0.83 CCSCCC(=O)N(C)CC 1626a_100000225621_100000230768 [0,2,0,0,0,0|1,0,1]=4 6175 B10R0.83 CCSCCC(=O)N(C)CC 240690a_100000225621_100000230768 [0,2,0,0,0,0|1,0,1]=4 6176 B10R0.83 CCSCCC(=O)N(C)CC 527a_100000225621_100000230768 [0,2,0,0,0,0|1,0,1]=4 6177 B10R0.83 CNC(=O)C(=O)CCCC#N 1458a_100011218921_100000211468 [0,2,0,0,0,0|1,0,1]=4 6178 B10R0.83 CNC(=O)C(=O)CCCCF 1458a_100011218921_100000729493 [0,2,0,0,0,0|1,0,0]=3 6179 B10R0.83 CNC(=O)C(=O)CCCCO 1458a_100011218921_100000210776 [0,2,0,0,0,0|1,0,0]=3 6180 B10R0.83 CNC(=O)C(=O)CCCOC 1458a_100011218921_100000740836 [0,2,0,0,0,0|1,0,0]=3 6181 B10R0.83 CNC(=O)C(=O)NCCCF 1626a_100015189416_100011218921 [0,2,0,0,0,0|2,0,0]=4 6182 B10R0.83 CNC(=O)C(=O)NCCCF 240690a_100015189416_100011218921 [0,2,0,0,0,0|2,0,0]=4 6183 B10R0.83 CNC(=O)C(=O)NCCCF 527a_100015189416_100011218921 [0,2,0,0,0,0|2,0,0]=4 6184 B10R0.83 CNC(=O)C(=O)NCCCO 240690a_100000182051_100011218921 [0,2,0,0,0,0|2,0,0]=4 6185 B10R0.83 CNC(=O)C(=O)NCCCO 527a_100000182051_100011218921 [0,2,0,0,0,0|2,0,0]=4 6186 B10R0.83 CNC(=O)C(=O)NCCOC 1626a_100000209980_100011218921 [0,2,0,0,0,0|2,0,0]=4 6187 B10R0.83 CNC(=O)C(=O)NCCOC 240690a_100000209980_100011218921 [0,2,0,0,0,0|2,0,0]=4 6188 B10R0.83 CNC(=O)C(=O)NCCOC 527a_100000209980_100011218921 [0,2,0,0,0,0|2,0,0]=4 6189 B10R0.83 CNC(=O)C(=O)NCCSC 1626a_100020590264_100011218921 [0,2,0,0,0,0|2,0,0]=4 6190 B10R0.83 CNC(=O)C(=O)NCCSC 240690a_100020590264_100011218921 [0,2,0,0,0,0|2,0,0]=4 6191 B10R0.83 CNC(=O)C(=O)NCCSC 527a_100020590264_100011218921 [0,2,0,0,0,0|2,0,0]=4 6192 B10R0.83 CNCCCC(=O)N(C)OC 7a_106832991635_100011842776 [0,2,0,0,0,0|2,0,0]=4 6193 B10R0.83 COC(=O)C(=O)CNCCF 34a_100000724931_100011610305 [0,2,0,0,0,0|2,0,0]=4 6194 B10R0.83 COC(=O)C(=O)CNCCO 34a_100016990907_100011610305 [0,2,0,0,0,0|2,0,0]=4 6195 B10R0.83 COC(=O)C(=O)COCCBr 34a_100000211926_100011610305 [0,2,0,0,0,0|2,0,0]=4 6196 B10R0.83 COC(=O)C(=O)COCCN 34a_100000210304_100011610305 [0,2,0,0,0,0|2,0,0]=4 6197 B10R0.83 COC(=O)C(=O)CSCCF 62a_100011217306_100011610305 [0,2,0,0,0,0|2,0,0]=4 6198 B10R0.83 COC(=O)C(=O)CSCCF 62a_100011610305_100011217306 [0,2,0,0,0,0|2,0,0]=4 6199 B10R0.83 COC(=O)C(=O)CSCCO 62a_100000211926_100011610305 [0,2,0,0,0,0|2,0,0]=4 6200 B10R0.83 COC(=O)C(=O)CSCCO 62a_100011610305_100000211926 [0,2,0,0,0,0|2,0,0]=4 6201 B10R0.83 COC(=O)C(=O)CSCSC 62a_100011218213_100011610305 [0,2,0,0,0,0|2,0,0]=4 6202 B10R0.83 COC(=O)C(=O)CSCSC 62a_100011610305_100011218213 [0,2,0,0,0,0|2,0,0]=4 6203 B10R0.83 COC(=O)C(=O)NCCCF 11a_100015189416_100000024059 [0,2,0,0,0,0|2,0,0]=4 6204 B10R0.83 COC(=O)C(=O)NCCCF 1626a_100015189416_100000024059 [0,2,0,0,0,0|2,0,0]=4 6205 B10R0.83 COC(=O)C(=O)NCCCF 240690a_100015189416_100000024059 [0,2,0,0,0,0|2,0,0]=4 6206 B10R0.83 COC(=O)C(=O)NCCCF 527a_100015189416_100000024059 [0,2,0,0,0,0|2,0,0]=4 6207 B10R0.83 COC(=O)C(=O)NCCCO 240690a_100000182051_100000024059 [0,2,0,0,0,0|2,0,0]=4 6208 B10R0.83 COC(=O)C(=O)NCCCO 527a_100000182051_100000024059 [0,2,0,0,0,0|2,0,0]=4 6209 B10R0.83 COC(=O)C(=O)NCCSC 11a_100020590264_100000024059 [0,2,0,0,0,0|2,0,0]=4 6210 B10R0.83 COC(=O)C(=O)NCCSC 1626a_100020590264_100000024059 [0,2,0,0,0,0|2,0,0]=4 6211 B10R0.83 COC(=O)C(=O)NCCSC 240690a_100020590264_100000024059 [0,2,0,0,0,0|2,0,0]=4 6212 B10R0.83 COC(=O)C(=O)NCCSC 527a_100020590264_100000024059 [0,2,0,0,0,0|2,0,0]=4 6213 B10R0.83 COC(C)C(=O)CCCCF 1458a_100000743197_100000729493 [0,2,0,0,0,0|1,0,1]=4 6214 B10R0.83 COC(C)C(=O)CCCCO 1458a_100000743197_100000210776 [0,2,0,0,0,0|1,0,1]=4 6215 B10R0.83 COCCCC(=O)C(C)OC 1458a_100000743197_100000740836 [0,2,0,0,0,0|1,0,1]=4 6216 B10R0.83 COCCCC(=O)C(C)SC 1458a_100000149566_100000740836 [0,2,0,0,0,0|1,0,1]=4 6217 B10R0.83 COCCNC(=O)C(=O)OC 1626a_100000209980_100000024059 [0,2,0,0,0,0|2,0,0]=4 6218 B10R0.83 COCCNC(=O)C(=O)OC 240690a_100000209980_100000024059 [0,2,0,0,0,0|2,0,0]=4 6219 B10R0.83 COCCNC(=O)C(=O)OC 527a_100000209980_100000024059 [0,2,0,0,0,0|2,0,0]=4 6220 B10R0.83 COCSCC(=O)C(=O)OC 62a_100000766300_100011610305 [0,2,0,0,0,0|2,0,0]=4 6221 B10R0.83 COCSCC(=O)C(=O)OC 62a_100011610305_100000766300 [0,2,0,0,0,0|2,0,0]=4 6222 B10R0.83 CON(C)C(=O)CCCSC 62a_100011842776_200000210301 [0,2,0,0,0,0|2,0,0]=4 6223 B10R0.83 CON(C)C(=O)CCCSC 62a_200000210301_100011842776 [0,2,0,0,0,0|2,0,0]=4 6224 B10R0.83 CON(C)C(=O)CCCS[13CH3] 62a_100011842776_200025704644 [0,2,0,0,0,0|2,0,0]=4 6225 B10R0.83 CON(C)C(=O)CCCS[13CH3] 62a_200025704644_100011842776 [0,2,0,0,0,0|2,0,0]=4 6226 B10R0.83 CSC(C)C(=O)CCCCF 1458a_100000149566_100000729493 [0,2,0,0,0,0|1,0,1]=4 6227 B10R0.83 CSC(C)C(=O)CCCCO 1458a_100000149566_100000210776 [0,2,0,0,0,0|1,0,1]=4 6228 B10R0.91 C#CCCC(=O)C/C=C/CC 1458a_100016274230_100000753159 [0,2,0,0,0,0|0,0,2]=4 6229 B10R0.91 C#CCCC(=O)C/C=C\CC 1458a_100000692101_100103147603 [0,2,0,0,0,0|0,0,2]=4 6230 B10R0.91 C#CCCC(=O)C=C/C=C/C 1458a_100000185730_100000753159 [0,2,0,0,0,0|0,0,2]=4 6231 B10R0.91 C#CCCC(=O)C=CCCC 1458a_100000212230_100000753159 [0,2,0,0,0,0|0,0,2]=4 6232 B10R0.91 C#CCCC(=O)C=CCOC 1458a_100016285016_100000753159 [0,2,0,0,0,0|0,0,2]=4 6233 B10R0.91 C#CCCC(=O)C=COCC 1458a_100016266692_100000753159 [0,2,0,0,0,0|0,0,2]=4 6234 B10R0.91 C#CCCCC(=O)C/C=C/C 1458a_100000690238_100102629194 [0,2,0,0,0,0|0,0,1]=3 6235 B10R0.91 C#CCCCC(=O)C=CC=C 1458a_100016291481_100000731252 [0,2,0,0,0,0|0,0,2]=4 6236 B10R0.91 C#CCCCC(=O)C=CCC 1458a_100000212282_100000731252 [0,2,0,0,0,0|0,0,1]=3 6237 B10R0.91 C#CCCCC(=O)C=COC 1458a_100016268678_100000731252 [0,2,0,0,0,0|0,0,1]=3 6238 B10R0.91 C#CCCCC(=O)CC=CC 1458a_100000690238_100000070051 [0,2,0,0,0,0|0,0,1]=3 6239 B10R0.91 C#CCCCC(=O)CC=CC 1458a_100121576822_100000731252 [0,2,0,0,0,0|0,0,1]=3 6240 B10R0.91 C#CCCCC(=O)CCCC 1458a_100000210183_100000731252 [0,2,0,0,0,0|0,0,2]=4 6241 B10R0.91 C#CCCCC(=O)CCCC 1458a_100000690238_100000210211 [0,2,0,0,0,0|0,0,2]=4 6242 B10R0.91 C#CCCNC(=O)C=CCC 11a_100000755551_100000212282 [0,2,0,0,0,0|0,0,2]=4 6243 B10R0.91 C#CCCNC(=O)C=CCC 1626a_100000755551_100000212282 [0,2,0,0,0,0|0,0,2]=4 6244 B10R0.91 C#CCCNC(=O)C=CCC 240690a_100000755551_100000212282 [0,2,0,0,0,0|0,0,2]=4 6245 B10R0.91 C#CCCNC(=O)C=COC 1626a_100000755551_100016268678 [0,2,0,0,0,0|0,0,2]=4 6246 B10R0.91 C#CCCNC(=O)C=COC 240690a_100000755551_100016268678 [0,2,0,0,0,0|0,0,2]=4 6247 B10R0.91 C#CCCNC(=O)CC=CC 11a_100000755551_100121576822 [0,2,0,0,0,0|0,0,2]=4 6248 B10R0.91 C#CCCNC(=O)CC=CC 1626a_100000755551_100121576822 [0,2,0,0,0,0|0,0,2]=4 6249 B10R0.91 C#CCCNC(=O)CC=CC 240690a_100000755551_100121576822 [0,2,0,0,0,0|0,0,2]=4 6250 B10R0.91 C#CCCNC(=O)CC=CC 527a_100000755551_100121576822 [0,2,0,0,0,0|0,0,2]=4 6251 B10R0.91 C#CCCNC(=O)CCCC 11a_100000755551_100000210183 [0,2,0,0,0,0|1,0,1]=4 6252 B10R0.91 C#CCCNC(=O)CCCC 1626a_100000755551_100000210183 [0,2,0,0,0,0|1,0,1]=4 6253 B10R0.91 C#CCCNC(=O)CCCC 240690a_100000755551_100000210183 [0,2,0,0,0,0|1,0,1]=4 6254 B10R0.91 C#CCCNC(=O)CCCC 527a_100000755551_100000210183 [0,2,0,0,0,0|1,0,1]=4 6255 B10R0.91 C#CCOCC(=O)C/C=C/C 1458a_100011251226_100102629194 [0,2,0,0,0,0|0,0,2]=4 6256 B10R0.91 C#CCOCC(=O)CC=CC 1458a_100011251226_100000070051 [0,2,0,0,0,0|0,0,2]=4 6257 B10R0.91 C#CCOCC(=O)CCCC 1458a_100011251226_100000210211 [0,2,0,0,0,0|1,0,1]=4 6258 B10R0.91 C/C=C/C=CC(=O)C/C=C/C 1458a_100000185730_100102629194 [0,2,0,0,0,0|0,0,2]=4 6259 B10R0.91 C/C=C/C=CC(=O)CCC#N 1458a_100000185730_100011215226 [0,2,0,0,0,0|1,0,1]=4 6260 B10R0.91 C/C=C/C=CC(=O)CCCC 1458a_100000185730_100000210211 [0,2,0,0,0,0|0,0,0]=2 6261 B10R0.91 C/C=C/C=CC(=O)CCCF 1458a_100000185730_100011934791 [0,2,0,0,0,0|1,0,0]=3 6262 B10R0.91 C/C=C/C=CC(=O)CCCO 1458a_100000185730_100011215043 [0,2,0,0,0,0|1,0,0]=3 6263 B10R0.91 C/C=C/C=CC(=O)CCOC 1458a_100000185730_100000233755 [0,2,0,0,0,0|1,0,0]=3 6264 B10R0.91 C/C=C/C=CC(=O)CCSC 1458a_100000185730_100000751147 [0,2,0,0,0,0|1,0,0]=3 6265 B10R0.91 C/C=C/C=CC(=O)NCCC 11a_100020643023_100000185730 [0,2,0,0,0,0|1,0,0]=3 6266 B10R0.91 C/C=C/C=CC(=O)NCCC 1626a_100020643023_100000185730 [0,2,0,0,0,0|1,0,0]=3 6267 B10R0.91 C/C=C/C=CC(=O)NCCC 240690a_100020643023_100000185730 [0,2,0,0,0,0|1,0,0]=3 6268 B10R0.91 C/C=C/C=CC(=O)NCCF 11a_100000724931_100000185730 [0,2,0,0,0,0|2,0,0]=4 6269 B10R0.91 C/C=C/C=CC(=O)NCCF 1626a_100000724931_100000185730 [0,2,0,0,0,0|2,0,0]=4 6270 B10R0.91 C/C=C/C=CC(=O)NCCF 240690a_100000724931_100000185730 [0,2,0,0,0,0|2,0,0]=4 6271 B10R0.91 C/C=C/C=CC(=O)NCCO 240690a_100000210304_100000185730 [0,2,0,0,0,0|2,0,0]=4 6272 B10R0.91 C/C=C/C=CC(=O)NNCC 22a_100000756455_100000185730 [0,2,0,0,0,0|2,0,0]=4 6273 B10R0.91 C/C=C/CC(=O)C#CCCC 1458a_200011218047_100102629194 [0,2,0,0,0,0|0,0,1]=3 6274 B10R0.91 C/C=C/CC(=O)C/C=C/CC 1458a_100016274230_100102629194 [0,2,0,0,0,0|0,0,1]=3 6275 B10R0.91 C/C=C/CC(=O)C=CCCC 1458a_100000212230_100102629194 [0,2,0,0,0,0|0,0,1]=3 6276 B10R0.91 C/C=C/CC(=O)C=CCOC 1458a_100016285016_100102629194 [0,2,0,0,0,0|0,0,2]=4 6277 B10R0.91 C/C=C/CC(=O)C=COCC 1458a_100016266692_100102629194 [0,2,0,0,0,0|0,0,2]=4 6278 B10R0.91 C/C=C/CC(=O)CCCC#N 1458a_100000075515_100102629194 [0,2,0,0,0,0|0,0,1]=3 6279 B10R0.91 C/C=C/CC(=O)CCCCC 1458a_100000212188_100102629194 [0,2,0,0,0,0|0,0,0]=2 6280 B10R0.91 C/C=C/CC(=O)CCCCO 1458a_100000695505_100102629194 [0,2,0,0,0,0|0,0,0]=2 6281 B10R0.91 C/C=C/CC(=O)CCCOC 1458a_100000741012_100102629194 [0,2,0,0,0,0|0,0,0]=2 6282 B10R0.91 C/C=C/CC(=O)CCCSC 1458a_100000173376_100102629194 [0,2,0,0,0,0|0,0,0]=2 6283 B10R0.91 C/C=C/CC(=O)CCN=[N+]=[N-] 1458a_100000688302_100102629194 [0,2,0,0,0,0|2,0,0]=4 6284 B10R0.91 C/C=C/CC(=O)CCOCC 1458a_100000749530_100102629194 [0,2,0,0,0,0|0,0,0]=2 6285 B10R0.91 C/C=C/CC(=O)CCSCC 1458a_100000230768_100102629194 [0,2,0,0,0,0|0,0,0]=2 6286 B10R0.91 C/C=C/CC(=O)COCCC 1458a_100000745993_100102629194 [0,2,0,0,0,0|0,0,0]=2 6287 B10R0.91 C/C=C/CC(=O)COCCO 1458a_100000708028_100102629194 [0,2,0,0,0,0|1,0,0]=3 6288 B10R0.91 C/C=C/CC(=O)CSCC#N 1458a_100000150266_100102629194 [0,2,0,0,0,0|1,0,1]=4 6289 B10R0.91 C/C=C/CC(=O)CSCCC 1458a_100000217233_100102629194 [0,2,0,0,0,0|0,0,0]=2 6290 B10R0.91 C/C=C/CN(C)CCCCC 269982a_100000223495_100102629194 [0,2,0,0,0,0|2,0,0]=4 6291 B10R0.91 C/C=C/CN(C)CCCCO 269982a_100000717598_100102629194 [0,2,0,0,0,0|2,0,0]=4 6292 B10R0.91 C/C=C/CN(C)CCCOC 269982a_100000224831_100102629194 [0,2,0,0,0,0|2,0,0]=4 6293 B10R0.91 C/C=C/COC(C)CCCC 34a_100000687866_100102629194 [0,2,0,0,0,0|1,0,1]=4 6294 B10R0.91 C/C=C/COC(C)CCCC 34a_100016270725_200011215066 [0,2,0,0,0,0|1,0,1]=4 6295 B10R0.91 C/C=C/COC(C)CCCC 7a_100000687866_100102629194 [0,2,0,0,0,0|1,0,1]=4 6296 B10R0.91 C/C=C/CSC(C)CCCC 62a_100102629194_200011215066 [0,2,0,0,0,0|1,0,1]=4 6297 B10R0.91 C/C=C/CSC(C)CCCC 62a_200011215066_100102629194 [0,2,0,0,0,0|1,0,1]=4 6298 B10R0.91 C=C(C=NNCC)CCCC 4a_100000756455_100000211282 [0,2,0,0,0,0|1,0,1]=4 6299 B10R0.91 C=CC=CC(=O)C/C=C\CC 1458a_100016291481_100103147603 [0,2,0,0,0,0|0,0,2]=4 6300 B10R0.91 C=CC=CC(=O)CC#CCC 1458a_100016291481_100009813939 [0,2,0,0,0,0|0,0,2]=4 6301 B10R0.91 C=CC=CC(=O)CCCC#N 1458a_100016291481_100000211468 [0,2,0,0,0,0|0,0,2]=4 6302 B10R0.91 C=CC=CC(=O)CCCC=C 1458a_100016291481_100000757094 [0,2,0,0,0,0|0,0,2]=4 6303 B10R0.91 C=CC=CC(=O)CCCCC 1458a_100016291481_100000210326 [0,2,0,0,0,0|0,0,1]=3 6304 B10R0.91 C=CC=CC(=O)CCCCF 1458a_100016291481_100000729493 [0,2,0,0,0,0|0,0,1]=3 6305 B10R0.91 C=CC=CC(=O)CCCCO 1458a_100016291481_100000210776 [0,2,0,0,0,0|0,0,1]=3 6306 B10R0.91 C=CC=CC(=O)CCCOC 1458a_100016291481_100000740836 [0,2,0,0,0,0|0,0,1]=3 6307 B10R0.91 C=CC=CC(=O)CCOCC 1458a_100016291481_100011215890 [0,2,0,0,0,0|0,0,1]=3 6308 B10R0.91 C=CC=CC(=O)CCSCC 1458a_100016291481_100000757381 [0,2,0,0,0,0|0,0,1]=3 6309 B10R0.91 C=CC=CC(=O)NCCCC 1626a_100000102301_100016291481 [0,2,0,0,0,0|0,0,1]=3 6310 B10R0.91 C=CC=CC(=O)NCCCF 1626a_100015189416_100016291481 [0,2,0,0,0,0|1,0,1]=4 6311 B10R0.91 C=CC=CC(=O)NCCOC 1626a_100000209980_100016291481 [0,2,0,0,0,0|1,0,1]=4 6312 B10R0.91 C=CC=CC(=O)NCCSC 1626a_100020590264_100016291481 [0,2,0,0,0,0|1,0,1]=4 6313 B10R0.91 C=CC=CC(=O)NNCCC 22a_100000740057_100016291481 [0,2,0,0,0,0|1,0,1]=4 6314 B10R0.91 C=CCCC(=O)C/C=C/CC 1458a_100016274230_100000754431 [0,2,0,0,0,0|0,0,2]=4 6315 B10R0.91 C=CCCC(=O)C/C=C\CC 1458a_100000749702_100103147603 [0,2,0,0,0,0|0,0,2]=4 6316 B10R0.91 C=CCCC(=O)C=C/C=C/C 1458a_100000185730_100000754431 [0,2,0,0,0,0|0,0,2]=4 6317 B10R0.91 C=CCCC(=O)C=CCCC 1458a_100000212230_100000754431 [0,2,0,0,0,0|0,0,2]=4 6318 B10R0.91 C=CCCC(=O)C=CCOC 1458a_100016285016_100000754431 [0,2,0,0,0,0|0,0,2]=4 6319 B10R0.91 C=CCCC(=O)C=COCC 1458a_100016266692_100000754431 [0,2,0,0,0,0|0,0,2]=4 6320 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000212188_100000754431 [0,2,0,0,0,0|0,0,2]=4 6321 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000749702_100000210326 [0,2,0,0,0,0|0,0,2]=4 6322 B10R0.91 C=CCCC(=O)CCCCF 1458a_100000749702_100000729493 [0,2,0,0,0,0|0,0,2]=4 6323 B10R0.91 C=CCCC(=O)CCCCO 1458a_100000695505_100000754431 [0,2,0,0,0,0|0,0,2]=4 6324 B10R0.91 C=CCCC(=O)CCCCO 1458a_100000749702_100000210776 [0,2,0,0,0,0|0,0,2]=4 6325 B10R0.91 C=CCCC(=O)CCCOC 1458a_100000741012_100000754431 [0,2,0,0,0,0|0,0,2]=4 6326 B10R0.91 C=CCCC(=O)CCCOC 1458a_100000749702_100000740836 [0,2,0,0,0,0|0,0,2]=4 6327 B10R0.91 C=CCCC(=O)CCCSC 1458a_100000173376_100000754431 [0,2,0,0,0,0|0,0,2]=4 6328 B10R0.91 C=CCCC(=O)CCOCC 1458a_100000749530_100000754431 [0,2,0,0,0,0|0,0,2]=4 6329 B10R0.91 C=CCCC(=O)CCOCC 1458a_100000749702_100011215890 [0,2,0,0,0,0|0,0,2]=4 6330 B10R0.91 C=CCCC(=O)CCSCC 1458a_100000230768_100000754431 [0,2,0,0,0,0|0,0,2]=4 6331 B10R0.91 C=CCCC(=O)CCSCC 1458a_100000749702_100000757381 [0,2,0,0,0,0|0,0,2]=4 6332 B10R0.91 C=CCCC(=O)COCCC 1458a_100000745993_100000754431 [0,2,0,0,0,0|0,0,2]=4 6333 B10R0.91 C=CCCC(=O)CSCCC 1458a_100000217233_100000754431 [0,2,0,0,0,0|0,0,2]=4 6334 B10R0.91 C=CCCC(=O)NCCCC 11a_100000102301_100000749702 [0,2,0,0,0,0|0,0,2]=4 6335 B10R0.91 C=CCCC(=O)NCCCC 1626a_100000102301_100000749702 [0,2,0,0,0,0|0,0,2]=4 6336 B10R0.91 C=CCCC(=O)NCCCC 240690a_100000102301_100000749702 [0,2,0,0,0,0|0,0,2]=4 6337 B10R0.91 C=CCCC(=O)NCCCC 527a_100000102301_100000749702 [0,2,0,0,0,0|0,0,2]=4 6338 B10R0.91 C=CCCCC(=O)C/C=C/C 1458a_100000766728_100102629194 [0,2,0,0,0,0|0,0,1]=3 6339 B10R0.91 C=CCCCC(=O)C=CCC 1458a_100000212282_100000757094 [0,2,0,0,0,0|0,0,1]=3 6340 B10R0.91 C=CCCCC(=O)C=COC 1458a_100016268678_100000757094 [0,2,0,0,0,0|0,0,1]=3 6341 B10R0.91 C=CCCCC(=O)CC=CC 1458a_100000766728_100000070051 [0,2,0,0,0,0|0,0,1]=3 6342 B10R0.91 C=CCCCC(=O)CC=CC 1458a_100121576822_100000757094 [0,2,0,0,0,0|0,0,1]=3 6343 B10R0.91 C=CCCCC(=O)CCCC 1458a_100000210183_100000757094 [0,2,0,0,0,0|0,0,2]=4 6344 B10R0.91 C=CCCCC(=O)CCCC 1458a_100000766728_100000210211 [0,2,0,0,0,0|0,0,2]=4 6345 B10R0.91 C=CCCNC(=O)C=CCC 11a_100015191253_100000212282 [0,2,0,0,0,0|0,0,2]=4 6346 B10R0.91 C=CCCNC(=O)C=CCC 1626a_100015191253_100000212282 [0,2,0,0,0,0|0,0,2]=4 6347 B10R0.91 C=CCCNC(=O)C=CCC 240690a_100015191253_100000212282 [0,2,0,0,0,0|0,0,2]=4 6348 B10R0.91 C=CCCNC(=O)C=COC 1626a_100015191253_100016268678 [0,2,0,0,0,0|0,0,2]=4 6349 B10R0.91 C=CCCNC(=O)C=COC 240690a_100015191253_100016268678 [0,2,0,0,0,0|0,0,2]=4 6350 B10R0.91 C=CCCNC(=O)CC=CC 11a_100015191253_100121576822 [0,2,0,0,0,0|0,0,2]=4 6351 B10R0.91 C=CCCNC(=O)CC=CC 1626a_100015191253_100121576822 [0,2,0,0,0,0|0,0,2]=4 6352 B10R0.91 C=CCCNC(=O)CC=CC 240690a_100015191253_100121576822 [0,2,0,0,0,0|0,0,2]=4 6353 B10R0.91 C=CCCNC(=O)CC=CC 527a_100015191253_100121576822 [0,2,0,0,0,0|0,0,2]=4 6354 B10R0.91 C=CCCNC(=O)CCCC 11a_100015191253_100000210183 [0,2,0,0,0,0|0,0,2]=4 6355 B10R0.91 C=CCCNC(=O)CCCC 1626a_100015191253_100000210183 [0,2,0,0,0,0|0,0,2]=4 6356 B10R0.91 C=CCCNC(=O)CCCC 240690a_100015191253_100000210183 [0,2,0,0,0,0|0,0,2]=4 6357 B10R0.91 C=CCCNC(=O)CCCC 527a_100015191253_100000210183 [0,2,0,0,0,0|0,0,2]=4 6358 B10R0.91 C=CCNC(=O)CCCCC 1626a_100020586998_100000212188 [0,2,0,0,0,0|0,0,2]=4 6359 B10R0.91 C=CCNC(=O)CCCCC 240690a_100020586998_100000212188 [0,2,0,0,0,0|0,0,2]=4 6360 B10R0.91 C=CCNC(=O)CCCCC 527a_100020586998_100000212188 [0,2,0,0,0,0|0,0,2]=4 6361 B10R0.91 C=CCNC(=O)CCCCO 1626a_100020586998_100000695505 [0,2,0,0,0,0|0,0,2]=4 6362 B10R0.91 C=CCNC(=O)CCCOC 1626a_100020586998_100000741012 [0,2,0,0,0,0|0,0,2]=4 6363 B10R0.91 C=CCNC(=O)CCCOC 240690a_100020586998_100000741012 [0,2,0,0,0,0|0,0,2]=4 6364 B10R0.91 C=CCNC(=O)CCCOC 527a_100020586998_100000741012 [0,2,0,0,0,0|0,0,2]=4 6365 B10R0.91 C=CCNC(=O)CCCSC 1626a_100020586998_100000173376 [0,2,0,0,0,0|0,0,2]=4 6366 B10R0.91 C=CCNC(=O)CCCSC 240690a_100020586998_100000173376 [0,2,0,0,0,0|0,0,2]=4 6367 B10R0.91 C=CCNC(=O)CCCSC 527a_100020586998_100000173376 [0,2,0,0,0,0|0,0,2]=4 6368 B10R0.91 C=CCNC(=O)CCNCC 2230a_100015525214_100011222895 [0,2,0,0,0,0|0,0,2]=4 6369 B10R0.91 C=CCNC(=O)CCOCC 1626a_100020586998_100000749530 [0,2,0,0,0,0|0,0,2]=4 6370 B10R0.91 C=CCNC(=O)CCOCC 240690a_100020586998_100000749530 [0,2,0,0,0,0|0,0,2]=4 6371 B10R0.91 C=CCNC(=O)CCOCC 527a_100020586998_100000749530 [0,2,0,0,0,0|0,0,2]=4 6372 B10R0.91 C=CCNC(=O)CCSCC 1626a_100020586998_100000230768 [0,2,0,0,0,0|0,0,2]=4 6373 B10R0.91 C=CCNC(=O)CCSCC 240690a_100020586998_100000230768 [0,2,0,0,0,0|0,0,2]=4 6374 B10R0.91 C=CCNC(=O)CCSCC 527a_100020586998_100000230768 [0,2,0,0,0,0|0,0,2]=4 6375 B10R0.91 C=CCNC(=O)CCSCC 62a_100000210202_100011222895 [0,2,0,0,0,0|0,0,2]=4 6376 B10R0.91 C=CCNC(=O)CCSCC 62a_100011222895_100000210202 [0,2,0,0,0,0|0,0,2]=4 6377 B10R0.91 C=CCNC(=O)COCCC 1626a_100020586998_100000745993 [0,2,0,0,0,0|0,0,2]=4 6378 B10R0.91 C=CCNC(=O)COCCC 240690a_100020586998_100000745993 [0,2,0,0,0,0|0,0,2]=4 6379 B10R0.91 C=CCNC(=O)COCCC 527a_100020586998_100000745993 [0,2,0,0,0,0|0,0,2]=4 6380 B10R0.91 C=CCNC(=O)CSCCC 1626a_100020586998_100000217233 [0,2,0,0,0,0|0,0,2]=4 6381 B10R0.91 C=CCNC(=O)CSCCC 240690a_100020586998_100000217233 [0,2,0,0,0,0|0,0,2]=4 6382 B10R0.91 C=CCNC(=O)CSCCC 527a_100020586998_100000217233 [0,2,0,0,0,0|0,0,2]=4 6383 B10R0.91 C=CCNC(=O)CSCCC 62a_100000183597_100000210303 [0,2,0,0,0,0|0,0,2]=4 6384 B10R0.91 C=CCNC(=O)CSCCC 62a_100000210303_100000183597 [0,2,0,0,0,0|0,0,2]=4 6385 B10R0.91 C=CCNC(=O)NCCCC 2708a_100000102301_100020586998 [0,2,0,0,0,0|0,0,2]=4 6386 B10R0.91 C=CCNC(=O)NCCCC 273464a_100000102301_100020586998 [0,2,0,0,0,0|0,0,2]=4 6387 B10R0.91 C=CCNC(=O)NCCCC 273464a_100020586998_100000102301 [0,2,0,0,0,0|0,0,2]=4 6388 B10R0.91 C=CCNC(=O)NCCCC 512a_100000102301_100020586998 [0,2,0,0,0,0|0,0,2]=4 6389 B10R0.91 C=CCNC(=O)NCCCC 512a_100020586998_100000102301 [0,2,0,0,0,0|0,0,2]=4 6390 B10R0.91 C=CCNNC(=O)CCCC 22a_100020588587_100000210183 [0,2,0,0,0,0|0,0,2]=4 6391 B10R0.91 C=CCOC(=O)COCCC 34a_100000210258_100000033060 [0,2,0,0,0,0|0,0,2]=4 6392 B10R0.91 C=CCOC(=O)CSCCC 62a_100000033060_100000210303 [0,2,0,0,0,0|0,0,2]=4 6393 B10R0.91 C=CCOC(=O)CSCCC 62a_100000210303_100000033060 [0,2,0,0,0,0|0,0,2]=4 6394 B10R0.91 C=CCSCC(=O)C/C=C/C 1458a_100000230395_100102629194 [0,2,0,0,0,0|0,0,2]=4 6395 B10R0.91 C=CCSCC(=O)CC=CC 1458a_100000230395_100000070051 [0,2,0,0,0,0|0,0,2]=4 6396 B10R0.91 C=CCSCC(=O)CCCC 1458a_100000230395_100000210211 [0,2,0,0,0,0|0,0,2]=4 6397 B10R0.91 C=COCCC(=O)C=CCC 1458a_100000212282_100000039644 [0,2,0,0,0,0|0,0,2]=4 6398 B10R0.91 C=COCCC(=O)C=COC 1458a_100016268678_100000039644 [0,2,0,0,0,0|0,0,2]=4 6399 B10R0.91 C=COCCC(=O)CC=CC 1458a_100121576822_100000039644 [0,2,0,0,0,0|0,0,2]=4 6400 B10R0.91 C=COCCC(=O)CCCC 1458a_100000210183_100000039644 [0,2,0,0,0,0|0,0,2]=4 6401 B10R0.91 CC#CCC(=O)C/C=C/CC 1458a_100016274230_100000748600 [0,2,0,0,0,0|0,0,2]=4 6402 B10R0.91 CC#CCC(=O)C=C/C=C/C 1458a_100000185730_100000748600 [0,2,0,0,0,0|0,0,2]=4 6403 B10R0.91 CC#CCC(=O)C=CCCC 1458a_100000212230_100000748600 [0,2,0,0,0,0|0,0,2]=4 6404 B10R0.91 CC#CCC(=O)C=CCOC 1458a_100016285016_100000748600 [0,2,0,0,0,0|0,0,2]=4 6405 B10R0.91 CC#CCC(=O)C=COCC 1458a_100016266692_100000748600 [0,2,0,0,0,0|0,0,2]=4 6406 B10R0.91 CC#CCC(=O)CCCCC 1458a_100000212188_100000748600 [0,2,0,0,0,0|0,0,2]=4 6407 B10R0.91 CC#CCC(=O)CCCCO 1458a_100000695505_100000748600 [0,2,0,0,0,0|0,0,2]=4 6408 B10R0.91 CC#CCC(=O)CCCOC 1458a_100000741012_100000748600 [0,2,0,0,0,0|0,0,2]=4 6409 B10R0.91 CC#CCC(=O)CCCSC 1458a_100000173376_100000748600 [0,2,0,0,0,0|0,0,2]=4 6410 B10R0.91 CC#CCC(=O)CCOCC 1458a_100000749530_100000748600 [0,2,0,0,0,0|0,0,2]=4 6411 B10R0.91 CC#CCC(=O)CCSCC 1458a_100000230768_100000748600 [0,2,0,0,0,0|0,0,2]=4 6412 B10R0.91 CC#CCC(=O)COCCC 1458a_100000745993_100000748600 [0,2,0,0,0,0|0,0,2]=4 6413 B10R0.91 CC#CCC(=O)CSCCC 1458a_100000217233_100000748600 [0,2,0,0,0,0|0,0,2]=4 6414 B10R0.91 CC#CCNC(=O)C=CCC 11a_100000685387_100000212282 [0,2,0,0,0,0|0,0,2]=4 6415 B10R0.91 CC#CCNC(=O)C=CCC 1626a_100000685387_100000212282 [0,2,0,0,0,0|0,0,2]=4 6416 B10R0.91 CC#CCNC(=O)C=COC 1626a_100000685387_100016268678 [0,2,0,0,0,0|0,0,2]=4 6417 B10R0.91 CC#CCNC(=O)CC=CC 11a_100000685387_100121576822 [0,2,0,0,0,0|0,0,2]=4 6418 B10R0.91 CC#CCNC(=O)CC=CC 1626a_100000685387_100121576822 [0,2,0,0,0,0|0,0,2]=4 6419 B10R0.91 CC#CCNC(=O)CC=CC 527a_100000685387_100121576822 [0,2,0,0,0,0|0,0,2]=4 6420 B10R0.91 CC#CCNC(=O)CCCC 11a_100000685387_100000210183 [0,2,0,0,0,0|0,0,2]=4 6421 B10R0.91 CC#CCNC(=O)CCCC 1626a_100000685387_100000210183 [0,2,0,0,0,0|0,0,2]=4 6422 B10R0.91 CC#CCNC(=O)CCCC 527a_100000685387_100000210183 [0,2,0,0,0,0|0,0,2]=4 6423 B10R0.91 CC/C=C/CC(=O)CCC#N 1458a_100016274230_100011215226 [0,2,0,0,0,0|1,0,1]=4 6424 B10R0.91 CC/C=C/CC(=O)CCCC 1458a_100016274230_100000210211 [0,2,0,0,0,0|0,0,0]=2 6425 B10R0.91 CC/C=C/CC(=O)CCCF 1458a_100016274230_100011934791 [0,2,0,0,0,0|1,0,0]=3 6426 B10R0.91 CC/C=C/CC(=O)CCCO 1458a_100016274230_100011215043 [0,2,0,0,0,0|1,0,0]=3 6427 B10R0.91 CC/C=C/CC(=O)CCOC 1458a_100016274230_100000233755 [0,2,0,0,0,0|1,0,0]=3 6428 B10R0.91 CC/C=C/CC(=O)CCSC 1458a_100016274230_100000751147 [0,2,0,0,0,0|1,0,0]=3 6429 B10R0.91 CC/C=C/CC(=O)NCCC 11a_100020643023_100016274230 [0,2,0,0,0,0|1,0,0]=3 6430 B10R0.91 CC/C=C/CC(=O)NCCC 1626a_100020643023_100016274230 [0,2,0,0,0,0|1,0,0]=3 6431 B10R0.91 CC/C=C/CC(=O)NCCC 240690a_100020643023_100016274230 [0,2,0,0,0,0|1,0,0]=3 6432 B10R0.91 CC/C=C/CC(=O)NCCC 527a_100020643023_100016274230 [0,2,0,0,0,0|1,0,0]=3 6433 B10R0.91 CC/C=C/CC(=O)NCCF 11a_100000724931_100016274230 [0,2,0,0,0,0|2,0,0]=4 6434 B10R0.91 CC/C=C/CC(=O)NCCF 1626a_100000724931_100016274230 [0,2,0,0,0,0|2,0,0]=4 6435 B10R0.91 CC/C=C/CC(=O)NCCF 240690a_100000724931_100016274230 [0,2,0,0,0,0|2,0,0]=4 6436 B10R0.91 CC/C=C/CC(=O)NCCF 527a_100000724931_100016274230 [0,2,0,0,0,0|2,0,0]=4 6437 B10R0.91 CC/C=C/CC(=O)NCCO 240690a_100000210304_100016274230 [0,2,0,0,0,0|2,0,0]=4 6438 B10R0.91 CC/C=C/CC(=O)NCCO 527a_100000210304_100016274230 [0,2,0,0,0,0|2,0,0]=4 6439 B10R0.91 CC/C=C/CC(=O)NNCC 22a_100000756455_100016274230 [0,2,0,0,0,0|2,0,0]=4 6440 B10R0.91 CC/C=C\CC(=O)C=COC 1458a_100016268678_100103147603 [0,2,0,0,0,0|0,0,1]=3 6441 B10R0.91 CC/C=C\CC(=O)CCC#N 1458a_100011934036_100103147603 [0,2,0,0,0,0|1,0,1]=4 6442 B10R0.91 CC/C=C\CC(=O)CCCC 1458a_100000210183_100103147603 [0,2,0,0,0,0|0,0,0]=2 6443 B10R0.91 CC/C=C\CC(=O)CCOC 1458a_100000749529_100103147603 [0,2,0,0,0,0|1,0,0]=3 6444 B10R0.91 CC/C=C\CC(=O)CCSC 1458a_100000174002_100103147603 [0,2,0,0,0,0|1,0,0]=3 6445 B10R0.91 CC/C=C\CC(=O)COCC 1458a_100000211967_100103147603 [0,2,0,0,0,0|1,0,0]=3 6446 B10R0.91 CC/C=C\CC(=O)CSCC 1458a_100000230394_100103147603 [0,2,0,0,0,0|1,0,0]=3 6447 B10R0.91 CC/C=C\CN(C)CCCC 2230a_100000207549_100103147603 [0,2,0,0,0,0|2,0,0]=4 6448 B10R0.91 CC/C=C\CN(C)CCCC 269982a_100000207549_100103147603 [0,2,0,0,0,0|2,0,0]=4 6449 B10R0.91 CC=CCC(=O)C#CCCC 1458a_200011218047_100000070051 [0,2,0,0,0,0|0,0,1]=3 6450 B10R0.91 CC=CCC(=O)C/C=C/CC 1458a_100016274230_100000070051 [0,2,0,0,0,0|0,0,1]=3 6451 B10R0.91 CC=CCC(=O)C/C=C\CC 1458a_100121576822_100103147603 [0,2,0,0,0,0|0,0,1]=3 6452 B10R0.91 CC=CCC(=O)C=C/C=C/C 1458a_100000185730_100000070051 [0,2,0,0,0,0|0,0,2]=4 6453 B10R0.91 CC=CCC(=O)C=CCCC 1458a_100000212230_100000070051 [0,2,0,0,0,0|0,0,1]=3 6454 B10R0.91 CC=CCC(=O)C=CCOC 1458a_100016285016_100000070051 [0,2,0,0,0,0|0,0,2]=4 6455 B10R0.91 CC=CCC(=O)C=COCC 1458a_100016266692_100000070051 [0,2,0,0,0,0|0,0,2]=4 6456 B10R0.91 CC=CCC(=O)CC#CCC 1458a_100121576822_100009813939 [0,2,0,0,0,0|0,0,1]=3 6457 B10R0.91 CC=CCC(=O)CC#CCO 1458a_100121576822_200000047223 [0,2,0,0,0,0|0,0,2]=4 6458 B10R0.91 CC=CCC(=O)CCCC#N 1458a_100000075515_100000070051 [0,2,0,0,0,0|0,0,1]=3 6459 B10R0.91 CC=CCC(=O)CCCC#N 1458a_100121576822_100000211468 [0,2,0,0,0,0|0,0,1]=3 6460 B10R0.91 CC=CCC(=O)CCCCC 1458a_100000212188_100000070051 [0,2,0,0,0,0|0,0,0]=2 6461 B10R0.91 CC=CCC(=O)CCCCC 1458a_100121576822_100000210326 [0,2,0,0,0,0|0,0,0]=2 6462 B10R0.91 CC=CCC(=O)CCCCF 1458a_100121576822_100000729493 [0,2,0,0,0,0|0,0,0]=2 6463 B10R0.91 CC=CCC(=O)CCCCO 1458a_100000695505_100000070051 [0,2,0,0,0,0|0,0,0]=2 6464 B10R0.91 CC=CCC(=O)CCCCO 1458a_100121576822_100000210776 [0,2,0,0,0,0|0,0,0]=2 6465 B10R0.91 CC=CCC(=O)CCCOC 1458a_100000741012_100000070051 [0,2,0,0,0,0|0,0,0]=2 6466 B10R0.91 CC=CCC(=O)CCCOC 1458a_100121576822_100000740836 [0,2,0,0,0,0|0,0,0]=2 6467 B10R0.91 CC=CCC(=O)CCCSC 1458a_100000173376_100000070051 [0,2,0,0,0,0|0,0,0]=2 6468 B10R0.91 CC=CCC(=O)CCN=[N+]=[N-] 1458a_100000688302_100000070051 [0,2,0,0,0,0|2,0,0]=4 6469 B10R0.91 CC=CCC(=O)CCOCC 1458a_100000749530_100000070051 [0,2,0,0,0,0|0,0,0]=2 6470 B10R0.91 CC=CCC(=O)CCOCC 1458a_100121576822_100011215890 [0,2,0,0,0,0|0,0,0]=2 6471 B10R0.91 CC=CCC(=O)CCSCC 1458a_100000230768_100000070051 [0,2,0,0,0,0|0,0,0]=2 6472 B10R0.91 CC=CCC(=O)CCSCC 1458a_100121576822_100000757381 [0,2,0,0,0,0|0,0,0]=2 6473 B10R0.91 CC=CCC(=O)COCCC 1458a_100000745993_100000070051 [0,2,0,0,0,0|0,0,0]=2 6474 B10R0.91 CC=CCC(=O)COCCO 1458a_100000708028_100000070051 [0,2,0,0,0,0|1,0,0]=3 6475 B10R0.91 CC=CCC(=O)CSCC#N 1458a_100000150266_100000070051 [0,2,0,0,0,0|1,0,1]=4 6476 B10R0.91 CC=CCC(=O)CSCCC 1458a_100000217233_100000070051 [0,2,0,0,0,0|0,0,0]=2 6477 B10R0.91 CC=CCC(=O)NCCC#N 11a_100000720768_100121576822 [0,2,0,0,0,0|1,0,1]=4 6478 B10R0.91 CC=CCC(=O)NCCC#N 1626a_100000720768_100121576822 [0,2,0,0,0,0|1,0,1]=4 6479 B10R0.91 CC=CCC(=O)NCCC#N 240690a_100000720768_100121576822 [0,2,0,0,0,0|1,0,1]=4 6480 B10R0.91 CC=CCC(=O)NCCC#N 527a_100000720768_100121576822 [0,2,0,0,0,0|1,0,1]=4 6481 B10R0.91 CC=CCC(=O)NCCCC 11a_100000102301_100121576822 [0,2,0,0,0,0|0,0,0]=2 6482 B10R0.91 CC=CCC(=O)NCCCC 1626a_100000102301_100121576822 [0,2,0,0,0,0|0,0,0]=2 6483 B10R0.91 CC=CCC(=O)NCCCC 240690a_100000102301_100121576822 [0,2,0,0,0,0|0,0,0]=2 6484 B10R0.91 CC=CCC(=O)NCCCC 527a_100000102301_100121576822 [0,2,0,0,0,0|0,0,0]=2 6485 B10R0.91 CC=CCC(=O)NCCCF 11a_100015189416_100121576822 [0,2,0,0,0,0|1,0,0]=3 6486 B10R0.91 CC=CCC(=O)NCCCF 1626a_100015189416_100121576822 [0,2,0,0,0,0|1,0,0]=3 6487 B10R0.91 CC=CCC(=O)NCCCF 240690a_100015189416_100121576822 [0,2,0,0,0,0|1,0,0]=3 6488 B10R0.91 CC=CCC(=O)NCCCF 527a_100015189416_100121576822 [0,2,0,0,0,0|1,0,0]=3 6489 B10R0.91 CC=CCC(=O)NCCCO 240690a_100000182051_100121576822 [0,2,0,0,0,0|1,0,0]=3 6490 B10R0.91 CC=CCC(=O)NCCCO 527a_100000182051_100121576822 [0,2,0,0,0,0|1,0,0]=3 6491 B10R0.91 CC=CCC(=O)NCCOC 1626a_100000209980_100121576822 [0,2,0,0,0,0|1,0,0]=3 6492 B10R0.91 CC=CCC(=O)NCCOC 240690a_100000209980_100121576822 [0,2,0,0,0,0|1,0,0]=3 6493 B10R0.91 CC=CCC(=O)NCCOC 527a_100000209980_100121576822 [0,2,0,0,0,0|1,0,0]=3 6494 B10R0.91 CC=CCC(=O)NCCSC 11a_100020590264_100121576822 [0,2,0,0,0,0|1,0,0]=3 6495 B10R0.91 CC=CCC(=O)NCCSC 1626a_100020590264_100121576822 [0,2,0,0,0,0|1,0,0]=3 6496 B10R0.91 CC=CCC(=O)NCCSC 240690a_100020590264_100121576822 [0,2,0,0,0,0|1,0,0]=3 6497 B10R0.91 CC=CCC(=O)NCCSC 527a_100020590264_100121576822 [0,2,0,0,0,0|1,0,0]=3 6498 B10R0.91 CC=CCC(=O)NNCCC 22a_100000740057_100121576822 [0,2,0,0,0,0|1,0,0]=3 6499 B10R0.91 CC=CCC(=O)NNCCO 22a_100000210001_100121576822 [0,2,0,0,0,0|2,0,0]=4 6500 B10R0.91 CC=CCN(C)CCCCC 2230a_100000223495_100000070051 [0,2,0,0,0,0|2,0,0]=4 6501 B10R0.91 CC=CCN(C)CCCCO 2230a_100000717598_100000070051 [0,2,0,0,0,0|2,0,0]=4 6502 B10R0.91 CC=CCN(C)CCCOC 2230a_100000224831_100000070051 [0,2,0,0,0,0|2,0,0]=4 6503 B10R0.91 CC=CCNC(C)CCCC 2230a_100000126638_100000070051 [0,2,0,0,0,0|1,0,1]=4 6504 B10R0.91 CC=CCOC(C)CCCC 34a_100000687866_100000070051 [0,2,0,0,0,0|1,0,1]=4 6505 B10R0.91 CC=CCOC(C)CCCC 7a_100000687866_100000070051 [0,2,0,0,0,0|1,0,1]=4 6506 B10R0.91 CC=CCSC(C)CCCC 62a_100000070051_200011215066 [0,2,0,0,0,0|1,0,1]=4 6507 B10R0.91 CC=CCSC(C)CCCC 62a_200011215066_100000070051 [0,2,0,0,0,0|1,0,1]=4 6508 B10R0.91 CC=NNC(=O)CCCCC 4a_100000189784_200000210099 [0,2,0,0,0,0|1,0,0]=3 6509 B10R0.91 CCC#CC(=O)C/C=C\CC 1458a_100011827653_100103147603 [0,2,0,0,0,0|0,0,2]=4 6510 B10R0.91 CCC#CC(=O)CCCCC 1458a_100011827653_100000210326 [0,2,0,0,0,0|0,0,2]=4 6511 B10R0.91 CCC#CC(=O)CCCCF 1458a_100011827653_100000729493 [0,2,0,0,0,0|0,0,2]=4 6512 B10R0.91 CCC#CC(=O)CCCCO 1458a_100011827653_100000210776 [0,2,0,0,0,0|0,0,2]=4 6513 B10R0.91 CCC#CC(=O)CCCOC 1458a_100011827653_100000740836 [0,2,0,0,0,0|0,0,2]=4 6514 B10R0.91 CCC#CC(=O)CCOCC 1458a_100011827653_100011215890 [0,2,0,0,0,0|0,0,2]=4 6515 B10R0.91 CCC#CC(=O)CCSCC 1458a_100011827653_100000757381 [0,2,0,0,0,0|0,0,2]=4 6516 B10R0.91 CCC#CCC(=O)C=CCC 1458a_100000212282_100009813939 [0,2,0,0,0,0|0,0,1]=3 6517 B10R0.91 CCC#CCC(=O)C=COC 1458a_100016268678_100009813939 [0,2,0,0,0,0|0,0,1]=3 6518 B10R0.91 CCC#CCC(=O)CCCC 1458a_100000210183_100009813939 [0,2,0,0,0,0|0,0,2]=4 6519 B10R0.91 CCC=CC(=O)C/C=C\CC 1458a_100000212282_100103147603 [0,2,0,0,0,0|0,0,1]=3 6520 B10R0.91 CCC=CC(=O)CC#CCO 1458a_100000212282_200000047223 [0,2,0,0,0,0|0,0,2]=4 6521 B10R0.91 CCC=CC(=O)CCCC#N 1458a_100000212282_100000211468 [0,2,0,0,0,0|0,0,1]=3 6522 B10R0.91 CCC=CC(=O)CCCCC 1458a_100000212282_100000210326 [0,2,0,0,0,0|0,0,0]=2 6523 B10R0.91 CCC=CC(=O)CCCCF 1458a_100000212282_100000729493 [0,2,0,0,0,0|0,0,0]=2 6524 B10R0.91 CCC=CC(=O)CCCCO 1458a_100000212282_100000210776 [0,2,0,0,0,0|0,0,0]=2 6525 B10R0.91 CCC=CC(=O)CCCOC 1458a_100000212282_100000740836 [0,2,0,0,0,0|0,0,0]=2 6526 B10R0.91 CCC=CC(=O)CCOCC 1458a_100000212282_100011215890 [0,2,0,0,0,0|0,0,0]=2 6527 B10R0.91 CCC=CC(=O)CCSCC 1458a_100000212282_100000757381 [0,2,0,0,0,0|0,0,0]=2 6528 B10R0.91 CCC=CC(=O)NCCC#N 11a_100000720768_100000212282 [0,2,0,0,0,0|1,0,1]=4 6529 B10R0.91 CCC=CC(=O)NCCC#N 1626a_100000720768_100000212282 [0,2,0,0,0,0|1,0,1]=4 6530 B10R0.91 CCC=CC(=O)NCCC#N 240690a_100000720768_100000212282 [0,2,0,0,0,0|1,0,1]=4 6531 B10R0.91 CCC=CC(=O)NCCCC 11a_100000102301_100000212282 [0,2,0,0,0,0|0,0,0]=2 6532 B10R0.91 CCC=CC(=O)NCCCC 1626a_100000102301_100000212282 [0,2,0,0,0,0|0,0,0]=2 6533 B10R0.91 CCC=CC(=O)NCCCC 240690a_100000102301_100000212282 [0,2,0,0,0,0|0,0,0]=2 6534 B10R0.91 CCC=CC(=O)NCCCF 11a_100015189416_100000212282 [0,2,0,0,0,0|1,0,0]=3 6535 B10R0.91 CCC=CC(=O)NCCCF 1626a_100015189416_100000212282 [0,2,0,0,0,0|1,0,0]=3 6536 B10R0.91 CCC=CC(=O)NCCCF 240690a_100015189416_100000212282 [0,2,0,0,0,0|1,0,0]=3 6537 B10R0.91 CCC=CC(=O)NCCCO 240690a_100000182051_100000212282 [0,2,0,0,0,0|1,0,0]=3 6538 B10R0.91 CCC=CC(=O)NCCOC 1626a_100000209980_100000212282 [0,2,0,0,0,0|1,0,0]=3 6539 B10R0.91 CCC=CC(=O)NCCOC 240690a_100000209980_100000212282 [0,2,0,0,0,0|1,0,0]=3 6540 B10R0.91 CCC=CC(=O)NCCSC 11a_100020590264_100000212282 [0,2,0,0,0,0|1,0,0]=3 6541 B10R0.91 CCC=CC(=O)NCCSC 1626a_100020590264_100000212282 [0,2,0,0,0,0|1,0,0]=3 6542 B10R0.91 CCC=CC(=O)NCCSC 240690a_100020590264_100000212282 [0,2,0,0,0,0|1,0,0]=3 6543 B10R0.91 CCC=CC(=O)NNCCC 22a_100000740057_100000212282 [0,2,0,0,0,0|1,0,0]=3 6544 B10R0.91 CCC=CC(=O)NNCCO 22a_100000210001_100000212282 [0,2,0,0,0,0|2,0,0]=4 6545 B10R0.91 CCC=NNC(=O)CCCC 4a_100000189769_100000210100 [0,2,0,0,0,0|0,0,1]=3 6546 B10R0.91 CCC=NNC(=O)CCOC 4a_100011260505_100000210100 [0,2,0,0,0,0|1,0,1]=4 6547 B10R0.91 CCC=NNC(=O)COCC 4a_100000216846_100000210100 [0,2,0,0,0,0|1,0,1]=4 6548 B10R0.91 CCCC#CC(=O)CCCC 1458a_200011218047_100000210211 [0,2,0,0,0,0|0,0,2]=4 6549 B10R0.91 CCCC=CC(=O)CCC#N 1458a_100000212230_100011215226 [0,2,0,0,0,0|1,0,1]=4 6550 B10R0.91 CCCC=CC(=O)CCCC 1458a_100000212230_100000210211 [0,2,0,0,0,0|0,0,0]=2 6551 B10R0.91 CCCC=CC(=O)CCCF 1458a_100000212230_100011934791 [0,2,0,0,0,0|1,0,0]=3 6552 B10R0.91 CCCC=CC(=O)CCCO 1458a_100000212230_100011215043 [0,2,0,0,0,0|1,0,0]=3 6553 B10R0.91 CCCC=CC(=O)CCOC 1458a_100000212230_100000233755 [0,2,0,0,0,0|1,0,0]=3 6554 B10R0.91 CCCC=CC(=O)CCSC 1458a_100000212230_100000751147 [0,2,0,0,0,0|1,0,0]=3 6555 B10R0.91 CCCC=CC(=O)NCCC 11a_100020643023_100000212230 [0,2,0,0,0,0|1,0,0]=3 6556 B10R0.91 CCCC=CC(=O)NCCC 1626a_100020643023_100000212230 [0,2,0,0,0,0|1,0,0]=3 6557 B10R0.91 CCCC=CC(=O)NCCC 240690a_100020643023_100000212230 [0,2,0,0,0,0|1,0,0]=3 6558 B10R0.91 CCCC=CC(=O)NCCF 11a_100000724931_100000212230 [0,2,0,0,0,0|2,0,0]=4 6559 B10R0.91 CCCC=CC(=O)NCCF 1626a_100000724931_100000212230 [0,2,0,0,0,0|2,0,0]=4 6560 B10R0.91 CCCC=CC(=O)NCCF 240690a_100000724931_100000212230 [0,2,0,0,0,0|2,0,0]=4 6561 B10R0.91 CCCC=CC(=O)NCCO 240690a_100000210304_100000212230 [0,2,0,0,0,0|2,0,0]=4 6562 B10R0.91 CCCC=CC(=O)NNCC 22a_100000756455_100000212230 [0,2,0,0,0,0|2,0,0]=4 6563 B10R0.91 CCCCC(=O)C=CCOC 1458a_100016285016_100000210211 [0,2,0,0,0,0|0,0,0]=2 6564 B10R0.91 CCCCC(=O)C=COCC 1458a_100016266692_100000210211 [0,2,0,0,0,0|0,0,0]=2 6565 B10R0.91 CCCCC(=O)CC#CCO 1458a_100000210183_200000047223 [0,2,0,0,0,0|0,0,2]=4 6566 B10R0.91 CCCCC(=O)CCCC#N 1458a_100000075515_100000210211 [0,2,0,0,0,0|0,0,2]=4 6567 B10R0.91 CCCCC(=O)CCCC#N 1458a_100000210183_100000211468 [0,2,0,0,0,0|0,0,2]=4 6568 B10R0.91 CCCCC(=O)CCCCF 1458a_100000210183_100000729493 [0,2,0,0,0,0|0,0,2]=4 6569 B10R0.91 CCCCC(=O)CCCCO 1458a_100000210183_100000210776 [0,2,0,0,0,0|0,0,2]=4 6570 B10R0.91 CCCCC(=O)CCCCO 1458a_100000695505_100000210211 [0,2,0,0,0,0|0,0,2]=4 6571 B10R0.91 CCCCC(=O)CCCOC 1458a_100000210183_100000740836 [0,2,0,0,0,0|0,0,2]=4 6572 B10R0.91 CCCCC(=O)CCCOC 1458a_100000741012_100000210211 [0,2,0,0,0,0|0,0,2]=4 6573 B10R0.91 CCCCC(=O)CCCSC 1458a_100000173376_100000210211 [0,2,0,0,0,0|0,0,2]=4 6574 B10R0.91 CCCCC(=O)CCOCC 1458a_100000210183_100011215890 [0,2,0,0,0,0|0,0,2]=4 6575 B10R0.91 CCCCC(=O)CCOCC 1458a_100000749530_100000210211 [0,2,0,0,0,0|0,0,2]=4 6576 B10R0.91 CCCCC(=O)CCSCC 1458a_100000210183_100000757381 [0,2,0,0,0,0|0,0,2]=4 6577 B10R0.91 CCCCC(=O)CCSCC 1458a_100000230768_100000210211 [0,2,0,0,0,0|0,0,2]=4 6578 B10R0.91 CCCCC(=O)COCCC 1458a_100000745993_100000210211 [0,2,0,0,0,0|0,0,2]=4 6579 B10R0.91 CCCCC(=O)COCCO 1458a_100000708028_100000210211 [0,2,0,0,0,0|0,0,2]=4 6580 B10R0.91 CCCCC(=O)CSCC#N 1458a_100000150266_100000210211 [0,2,0,0,0,0|1,0,1]=4 6581 B10R0.91 CCCCC(=O)CSCCC 1458a_100000217233_100000210211 [0,2,0,0,0,0|0,0,2]=4 6582 B10R0.91 CCCCC(=O)NCCC#N 11a_100000720768_100000210183 [0,2,0,0,0,0|1,0,1]=4 6583 B10R0.91 CCCCC(=O)NCCC#N 1626a_100000720768_100000210183 [0,2,0,0,0,0|1,0,1]=4 6584 B10R0.91 CCCCC(=O)NCCC#N 240690a_100000720768_100000210183 [0,2,0,0,0,0|1,0,1]=4 6585 B10R0.91 CCCCC(=O)NCCC#N 527a_100000720768_100000210183 [0,2,0,0,0,0|1,0,1]=4 6586 B10R0.91 CCCCC(=O)NCCCF 11a_100015189416_100000210183 [0,2,0,0,0,0|0,0,2]=4 6587 B10R0.91 CCCCC(=O)NCCCF 1626a_100015189416_100000210183 [0,2,0,0,0,0|0,0,2]=4 6588 B10R0.91 CCCCC(=O)NCCCF 240690a_100015189416_100000210183 [0,2,0,0,0,0|0,0,2]=4 6589 B10R0.91 CCCCC(=O)NCCCF 527a_100015189416_100000210183 [0,2,0,0,0,0|0,0,2]=4 6590 B10R0.91 CCCCC(=O)NCCCO 240690a_100000182051_100000210183 [0,2,0,0,0,0|0,0,2]=4 6591 B10R0.91 CCCCC(=O)NCCCO 527a_100000182051_100000210183 [0,2,0,0,0,0|0,0,2]=4 6592 B10R0.91 CCCCC(=O)NCCOC 1626a_100000209980_100000210183 [0,2,0,0,0,0|0,0,2]=4 6593 B10R0.91 CCCCC(=O)NCCOC 240690a_100000209980_100000210183 [0,2,0,0,0,0|0,0,2]=4 6594 B10R0.91 CCCCC(=O)NCCOC 527a_100000209980_100000210183 [0,2,0,0,0,0|0,0,2]=4 6595 B10R0.91 CCCCC(=O)NCCSC 11a_100020590264_100000210183 [0,2,0,0,0,0|0,0,2]=4 6596 B10R0.91 CCCCC(=O)NCCSC 1626a_100020590264_100000210183 [0,2,0,0,0,0|0,0,2]=4 6597 B10R0.91 CCCCC(=O)NCCSC 240690a_100020590264_100000210183 [0,2,0,0,0,0|0,0,2]=4 6598 B10R0.91 CCCCC(=O)NCCSC 527a_100020590264_100000210183 [0,2,0,0,0,0|0,0,2]=4 6599 B10R0.91 CCCCC(=O)NNCCC 22a_100000740057_100000210183 [0,2,0,0,0,0|0,0,2]=4 6600 B10R0.91 CCCCC(=O)NNCCO 22a_100000210001_100000210183 [0,2,0,0,0,0|1,0,1]=4 6601 B10R0.91 CCCCCC(=O)C#CCO 1458a_100000049017_100000210326 [0,2,0,0,0,0|0,0,2]=4 6602 B10R0.91 CCCCCC(=O)C=COC 1458a_100016268678_100000210326 [0,2,0,0,0,0|0,0,0]=2 6603 B10R0.91 CCCCCC(=O)CCCC 1458a_100000210183_100000210326 [0,2,0,0,0,0|0,0,2]=4 6604 B10R0.91 CCCCCC(=O)CCCC 1458a_100000212188_100000210211 [0,2,0,0,0,0|0,0,2]=4 6605 B10R0.91 CCCCCC(=O)CCCF 1458a_100000212188_100011934791 [0,2,0,0,0,0|0,0,2]=4 6606 B10R0.91 CCCCCC(=O)CCCO 1458a_100000212188_100011215043 [0,2,0,0,0,0|0,0,2]=4 6607 B10R0.91 CCCCCC(=O)CCOC 1458a_100000212188_100000233755 [0,2,0,0,0,0|0,0,2]=4 6608 B10R0.91 CCCCCC(=O)CCOC 1458a_100000749529_100000210326 [0,2,0,0,0,0|0,0,2]=4 6609 B10R0.91 CCCCCC(=O)CCSC 1458a_100000174002_100000210326 [0,2,0,0,0,0|0,0,2]=4 6610 B10R0.91 CCCCCC(=O)CCSC 1458a_100000212188_100000751147 [0,2,0,0,0,0|0,0,2]=4 6611 B10R0.91 CCCCCC(=O)CNCC 2230a_100015525214_200012276598 [0,2,0,0,0,0|0,0,2]=4 6612 B10R0.91 CCCCCC(=O)COCC 1458a_100000211967_100000210326 [0,2,0,0,0,0|0,0,2]=4 6613 B10R0.91 CCCCCC(=O)COCC 34a_100121572206_200012276598 [0,2,0,0,0,0|0,0,2]=4 6614 B10R0.91 CCCCCC(=O)CSCC 1458a_100000230394_100000210326 [0,2,0,0,0,0|0,0,2]=4 6615 B10R0.91 CCCCCC(=O)CSCC 62a_100000210202_200012276598 [0,2,0,0,0,0|0,0,2]=4 6616 B10R0.91 CCCCCC(=O)CSCC 62a_200012276598_100000210202 [0,2,0,0,0,0|0,0,2]=4 6617 B10R0.91 CCCCCC(=O)CSCF 62a_100015361967_200012276598 [0,2,0,0,0,0|1,0,1]=4 6618 B10R0.91 CCCCCC(=O)CSCF 62a_200012276598_100015361967 [0,2,0,0,0,0|1,0,1]=4 6619 B10R0.91 CCCCCC(=O)NCCC 11a_100020643023_100000212188 [0,2,0,0,0,0|0,0,2]=4 6620 B10R0.91 CCCCCC(=O)NCCC 1626a_100020643023_100000212188 [0,2,0,0,0,0|0,0,2]=4 6621 B10R0.91 CCCCCC(=O)NCCC 240690a_100020643023_100000212188 [0,2,0,0,0,0|0,0,2]=4 6622 B10R0.91 CCCCCC(=O)NCCC 527a_100020643023_100000212188 [0,2,0,0,0,0|0,0,2]=4 6623 B10R0.91 CCCCCC(=O)NCCF 11a_100000724931_100000212188 [0,2,0,0,0,0|1,0,1]=4 6624 B10R0.91 CCCCCC(=O)NCCF 1626a_100000724931_100000212188 [0,2,0,0,0,0|1,0,1]=4 6625 B10R0.91 CCCCCC(=O)NCCF 240690a_100000724931_100000212188 [0,2,0,0,0,0|1,0,1]=4 6626 B10R0.91 CCCCCC(=O)NCCF 527a_100000724931_100000212188 [0,2,0,0,0,0|1,0,1]=4 6627 B10R0.91 CCCCCC(=O)NCCO 240690a_100000210304_100000212188 [0,2,0,0,0,0|1,0,1]=4 6628 B10R0.91 CCCCCC(=O)NCCO 527a_100000210304_100000212188 [0,2,0,0,0,0|1,0,1]=4 6629 B10R0.91 CCCCCC(=O)NNCC 22a_100000756455_100000212188 [0,2,0,0,0,0|1,0,1]=4 6630 B10R0.91 CCCCNC(=O)C=COC 1626a_100000102301_100016268678 [0,2,0,0,0,0|0,0,0]=2 6631 B10R0.91 CCCCNC(=O)C=COC 240690a_100000102301_100016268678 [0,2,0,0,0,0|0,0,0]=2 6632 B10R0.91 CCCCNC(=O)CCCC 11a_100000102301_100000210183 [0,2,0,0,0,0|0,0,2]=4 6633 B10R0.91 CCCCNC(=O)CCCC 1626a_100000102301_100000210183 [0,2,0,0,0,0|0,0,2]=4 6634 B10R0.91 CCCCNC(=O)CCCC 240690a_100000102301_100000210183 [0,2,0,0,0,0|0,0,2]=4 6635 B10R0.91 CCCCNC(=O)CCCC 527a_100000102301_100000210183 [0,2,0,0,0,0|0,0,2]=4 6636 B10R0.91 CCCCNC(=O)CCOC 11a_100000102301_100000749529 [0,2,0,0,0,0|0,0,2]=4 6637 B10R0.91 CCCCNC(=O)CCOC 1626a_100000102301_100000749529 [0,2,0,0,0,0|0,0,2]=4 6638 B10R0.91 CCCCNC(=O)CCOC 240690a_100000102301_100000749529 [0,2,0,0,0,0|0,0,2]=4 6639 B10R0.91 CCCCNC(=O)CCOC 527a_100000102301_100000749529 [0,2,0,0,0,0|0,0,2]=4 6640 B10R0.91 CCCCNC(=O)CCSC 11a_100000102301_100000174002 [0,2,0,0,0,0|0,0,2]=4 6641 B10R0.91 CCCCNC(=O)CCSC 1626a_100000102301_100000174002 [0,2,0,0,0,0|0,0,2]=4 6642 B10R0.91 CCCCNC(=O)CCSC 240690a_100000102301_100000174002 [0,2,0,0,0,0|0,0,2]=4 6643 B10R0.91 CCCCNC(=O)CCSC 527a_100000102301_100000174002 [0,2,0,0,0,0|0,0,2]=4 6644 B10R0.91 CCCCNC(=O)CNCC 2230a_100015525214_100000182744 [0,2,0,0,0,0|0,0,2]=4 6645 B10R0.91 CCCCNC(=O)COCC 11a_100000102301_100000211967 [0,2,0,0,0,0|0,0,2]=4 6646 B10R0.91 CCCCNC(=O)COCC 1626a_100000102301_100000211967 [0,2,0,0,0,0|0,0,2]=4 6647 B10R0.91 CCCCNC(=O)COCC 240690a_100000102301_100000211967 [0,2,0,0,0,0|0,0,2]=4 6648 B10R0.91 CCCCNC(=O)COCC 34a_100121572206_100000182744 [0,2,0,0,0,0|0,0,2]=4 6649 B10R0.91 CCCCNC(=O)COCC 527a_100000102301_100000211967 [0,2,0,0,0,0|0,0,2]=4 6650 B10R0.91 CCCCNC(=O)CSCC 11a_100000102301_100000230394 [0,2,0,0,0,0|0,0,2]=4 6651 B10R0.91 CCCCNC(=O)CSCC 1626a_100000102301_100000230394 [0,2,0,0,0,0|0,0,2]=4 6652 B10R0.91 CCCCNC(=O)CSCC 240690a_100000102301_100000230394 [0,2,0,0,0,0|0,0,2]=4 6653 B10R0.91 CCCCNC(=O)CSCC 527a_100000102301_100000230394 [0,2,0,0,0,0|0,0,2]=4 6654 B10R0.91 CCCCNC(=O)CSCC 62a_100000182744_100000210202 [0,2,0,0,0,0|0,0,2]=4 6655 B10R0.91 CCCCNC(=O)CSCC 62a_100000210202_100000182744 [0,2,0,0,0,0|0,0,2]=4 6656 B10R0.91 CCCCNC(=O)CSCF 62a_100000182744_100015361967 [0,2,0,0,0,0|1,0,1]=4 6657 B10R0.91 CCCCNC(=O)CSCF 62a_100015361967_100000182744 [0,2,0,0,0,0|1,0,1]=4 6658 B10R0.91 CCCCNC(=O)NCCC 2708a_100000102301_100020643023 [0,2,0,0,0,0|0,0,2]=4 6659 B10R0.91 CCCCNC(=O)NCCC 2708a_100020643023_100000102301 [0,2,0,0,0,0|0,0,2]=4 6660 B10R0.91 CCCCNC(=O)NCCC 273464a_100000102301_100020643023 [0,2,0,0,0,0|0,0,2]=4 6661 B10R0.91 CCCCNC(=O)NCCC 273464a_100020643023_100000102301 [0,2,0,0,0,0|0,0,2]=4 6662 B10R0.91 CCCCNC(=O)NCCC 512a_100000102301_100020643023 [0,2,0,0,0,0|0,0,2]=4 6663 B10R0.91 CCCCNC(=O)NCCC 512a_100020643023_100000102301 [0,2,0,0,0,0|0,0,2]=4 6664 B10R0.91 CCCCNC(=O)NCCF 2708a_100000102301_100000724931 [0,2,0,0,0,0|1,0,1]=4 6665 B10R0.91 CCCCNC(=O)NCCF 273464a_100000102301_100000724931 [0,2,0,0,0,0|1,0,1]=4 6666 B10R0.91 CCCCNC(=O)NCCF 273464a_100000724931_100000102301 [0,2,0,0,0,0|1,0,1]=4 6667 B10R0.91 CCCCNC(=O)NCCF 512a_100000102301_100000724931 [0,2,0,0,0,0|1,0,1]=4 6668 B10R0.91 CCCCNC(=O)NCCO 2708a_100000102301_100000210304 [0,2,0,0,0,0|1,0,1]=4 6669 B10R0.91 CCCCNC(=O)NCCO 273464a_100000102301_100000210304 [0,2,0,0,0,0|1,0,1]=4 6670 B10R0.91 CCCCNC(=O)NCCO 273464a_100000210304_100000102301 [0,2,0,0,0,0|1,0,1]=4 6671 B10R0.91 CCCCNC(=O)NCCO 512a_100000102301_100000210304 [0,2,0,0,0,0|1,0,1]=4 6672 B10R0.91 CCCCNC(=O)NNCC 273464a_100000102301_100000756455 [0,2,0,0,0,0|1,0,1]=4 6673 B10R0.91 CCCCNC(=O)NNCC 512a_100000102301_100000756455 [0,2,0,0,0,0|1,0,1]=4 6674 B10R0.91 CCCCNC(=O)NNCC 512a_100000756455_100000102301 [0,2,0,0,0,0|1,0,1]=4 6675 B10R0.91 CCCCOC(=O)CNCC 2230a_100015525214_100000211628 [0,2,0,0,0,0|0,0,2]=4 6676 B10R0.91 CCCCOC(=O)COCC 34a_100121572206_100000211628 [0,2,0,0,0,0|0,0,2]=4 6677 B10R0.91 CCCCOC(=O)CSCC 62a_100000210202_100000211628 [0,2,0,0,0,0|0,0,2]=4 6678 B10R0.91 CCCCOC(=O)CSCC 62a_100000211628_100000210202 [0,2,0,0,0,0|0,0,2]=4 6679 B10R0.91 CCCCOC(=O)CSCF 62a_100000211628_100015361967 [0,2,0,0,0,0|1,0,1]=4 6680 B10R0.91 CCCCOC(=O)CSCF 62a_100015361967_100000211628 [0,2,0,0,0,0|1,0,1]=4 6681 B10R0.91 CCCNC(=O)C=CCOC 11a_100020643023_100016285016 [0,2,0,0,0,0|1,0,0]=3 6682 B10R0.91 CCCNC(=O)C=CCOC 1626a_100020643023_100016285016 [0,2,0,0,0,0|1,0,0]=3 6683 B10R0.91 CCCNC(=O)C=CCOC 240690a_100020643023_100016285016 [0,2,0,0,0,0|1,0,0]=3 6684 B10R0.91 CCCNC(=O)C=COCC 11a_100020643023_100016266692 [0,2,0,0,0,0|1,0,0]=3 6685 B10R0.91 CCCNC(=O)C=COCC 1626a_100020643023_100016266692 [0,2,0,0,0,0|1,0,0]=3 6686 B10R0.91 CCCNC(=O)C=COCC 240690a_100020643023_100016266692 [0,2,0,0,0,0|1,0,0]=3 6687 B10R0.91 CCCNC(=O)CCCCO 1626a_100020643023_100000695505 [0,2,0,0,0,0|0,0,2]=4 6688 B10R0.91 CCCNC(=O)CCCNC 2230a_106832991635_100011194427 [0,2,0,0,0,0|0,0,2]=4 6689 B10R0.91 CCCNC(=O)CCCNC 7a_106832991635_100011194427 [0,2,0,0,0,0|0,0,2]=4 6690 B10R0.91 CCCNC(=O)CCCOC 11a_100020643023_100000741012 [0,2,0,0,0,0|0,0,2]=4 6691 B10R0.91 CCCNC(=O)CCCOC 1626a_100020643023_100000741012 [0,2,0,0,0,0|0,0,2]=4 6692 B10R0.91 CCCNC(=O)CCCOC 240690a_100020643023_100000741012 [0,2,0,0,0,0|0,0,2]=4 6693 B10R0.91 CCCNC(=O)CCCOC 527a_100020643023_100000741012 [0,2,0,0,0,0|0,0,2]=4 6694 B10R0.91 CCCNC(=O)CCCSC 11a_100020643023_100000173376 [0,2,0,0,0,0|0,0,2]=4 6695 B10R0.91 CCCNC(=O)CCCSC 1626a_100020643023_100000173376 [0,2,0,0,0,0|0,0,2]=4 6696 B10R0.91 CCCNC(=O)CCCSC 240690a_100020643023_100000173376 [0,2,0,0,0,0|0,0,2]=4 6697 B10R0.91 CCCNC(=O)CCCSC 527a_100020643023_100000173376 [0,2,0,0,0,0|0,0,2]=4 6698 B10R0.91 CCCNC(=O)CCCSC 62a_100011194427_200000210301 [0,2,0,0,0,0|0,0,2]=4 6699 B10R0.91 CCCNC(=O)CCCSC 62a_200000210301_100011194427 [0,2,0,0,0,0|0,0,2]=4 6700 B10R0.91 CCCNC(=O)CCCS[13CH3] 62a_100011194427_200025704644 [0,2,0,0,0,0|0,0,2]=4 6701 B10R0.91 CCCNC(=O)CCCS[13CH3] 62a_200025704644_100011194427 [0,2,0,0,0,0|0,0,2]=4 6702 B10R0.91 CCCNC(=O)CCOCC 11a_100020643023_100000749530 [0,2,0,0,0,0|0,0,2]=4 6703 B10R0.91 CCCNC(=O)CCOCC 1626a_100020643023_100000749530 [0,2,0,0,0,0|0,0,2]=4 6704 B10R0.91 CCCNC(=O)CCOCC 240690a_100020643023_100000749530 [0,2,0,0,0,0|0,0,2]=4 6705 B10R0.91 CCCNC(=O)CCOCC 527a_100020643023_100000749530 [0,2,0,0,0,0|0,0,2]=4 6706 B10R0.91 CCCNC(=O)CCSCC 11a_100020643023_100000230768 [0,2,0,0,0,0|0,0,2]=4 6707 B10R0.91 CCCNC(=O)CCSCC 1626a_100020643023_100000230768 [0,2,0,0,0,0|0,0,2]=4 6708 B10R0.91 CCCNC(=O)CCSCC 240690a_100020643023_100000230768 [0,2,0,0,0,0|0,0,2]=4 6709 B10R0.91 CCCNC(=O)CCSCC 527a_100020643023_100000230768 [0,2,0,0,0,0|0,0,2]=4 6710 B10R0.91 CCCNC(=O)COCCC 11a_100020643023_100000745993 [0,2,0,0,0,0|0,0,2]=4 6711 B10R0.91 CCCNC(=O)COCCC 1626a_100020643023_100000745993 [0,2,0,0,0,0|0,0,2]=4 6712 B10R0.91 CCCNC(=O)COCCC 240690a_100020643023_100000745993 [0,2,0,0,0,0|0,0,2]=4 6713 B10R0.91 CCCNC(=O)COCCC 34a_100000210258_100000183358 [0,2,0,0,0,0|0,0,2]=4 6714 B10R0.91 CCCNC(=O)COCCC 527a_100020643023_100000745993 [0,2,0,0,0,0|0,0,2]=4 6715 B10R0.91 CCCNC(=O)CSCCC 11a_100020643023_100000217233 [0,2,0,0,0,0|0,0,2]=4 6716 B10R0.91 CCCNC(=O)CSCCC 1626a_100020643023_100000217233 [0,2,0,0,0,0|0,0,2]=4 6717 B10R0.91 CCCNC(=O)CSCCC 240690a_100020643023_100000217233 [0,2,0,0,0,0|0,0,2]=4 6718 B10R0.91 CCCNC(=O)CSCCC 527a_100020643023_100000217233 [0,2,0,0,0,0|0,0,2]=4 6719 B10R0.91 CCCNC(=O)CSCCC 62a_100000183358_100000210303 [0,2,0,0,0,0|0,0,2]=4 6720 B10R0.91 CCCNC(=O)CSCCC 62a_100000210303_100000183358 [0,2,0,0,0,0|0,0,2]=4 6721 B10R0.91 CCCNCC(=O)NCCC 2230a_100000174927_100000210303 [0,2,0,0,0,0|0,0,2]=4 6722 B10R0.91 CCCNCC(=O)NCCF 2230a_100000725713_100000210303 [0,2,0,0,0,0|1,0,1]=4 6723 B10R0.91 CCCNN=C(C)C=COC 4a_100000740057_100102564965 [0,2,0,0,0,0|2,0,0]=4 6724 B10R0.91 CCCNNC(=O)C=COC 22a_100000740057_100016268678 [0,2,0,0,0,0|1,0,0]=3 6725 B10R0.91 CCCOC(=O)CSCCC 62a_100000210303_200011215008 [0,2,0,0,0,0|0,0,2]=4 6726 B10R0.91 CCCOC(=O)CSCCC 62a_200011215008_100000210303 [0,2,0,0,0,0|0,0,2]=4 6727 B10R0.91 CCCOCC(=O)CCCF 1458a_100000745993_100011934791 [0,2,0,0,0,0|0,0,2]=4 6728 B10R0.91 CCCOCC(=O)CCCO 1458a_100000745993_100011215043 [0,2,0,0,0,0|0,0,2]=4 6729 B10R0.91 CCCOCC(=O)CCOC 1458a_100000745993_100000233755 [0,2,0,0,0,0|0,0,2]=4 6730 B10R0.91 CCCOCC(=O)CCSC 1458a_100000745993_100000751147 [0,2,0,0,0,0|0,0,2]=4 6731 B10R0.91 CCCOCC(=O)NCCF 11a_100000724931_100000745993 [0,2,0,0,0,0|1,0,1]=4 6732 B10R0.91 CCCOCC(=O)NCCF 1626a_100000724931_100000745993 [0,2,0,0,0,0|1,0,1]=4 6733 B10R0.91 CCCOCC(=O)NCCF 240690a_100000724931_100000745993 [0,2,0,0,0,0|1,0,1]=4 6734 B10R0.91 CCCOCC(=O)NCCF 527a_100000724931_100000745993 [0,2,0,0,0,0|1,0,1]=4 6735 B10R0.91 CCCOCC(=O)NCCO 240690a_100000210304_100000745993 [0,2,0,0,0,0|1,0,1]=4 6736 B10R0.91 CCCOCC(=O)NCCO 527a_100000210304_100000745993 [0,2,0,0,0,0|1,0,1]=4 6737 B10R0.91 CCCOCC(=O)NNCC 22a_100000756455_100000745993 [0,2,0,0,0,0|1,0,1]=4 6738 B10R0.91 CCCOCC(=O)OCCC 34a_100000210258_200011215008 [0,2,0,0,0,0|0,0,2]=4 6739 B10R0.91 CCCSCC(=O)CCCF 1458a_100000217233_100011934791 [0,2,0,0,0,0|0,0,2]=4 6740 B10R0.91 CCCSCC(=O)CCCO 1458a_100000217233_100011215043 [0,2,0,0,0,0|0,0,2]=4 6741 B10R0.91 CCCSCC(=O)CCOC 1458a_100000217233_100000233755 [0,2,0,0,0,0|0,0,2]=4 6742 B10R0.91 CCCSCC(=O)CCSC 1458a_100000217233_100000751147 [0,2,0,0,0,0|0,0,2]=4 6743 B10R0.91 CCCSCC(=O)NCCF 11a_100000724931_100000217233 [0,2,0,0,0,0|1,0,1]=4 6744 B10R0.91 CCCSCC(=O)NCCF 1626a_100000724931_100000217233 [0,2,0,0,0,0|1,0,1]=4 6745 B10R0.91 CCCSCC(=O)NCCF 240690a_100000724931_100000217233 [0,2,0,0,0,0|1,0,1]=4 6746 B10R0.91 CCCSCC(=O)NCCF 527a_100000724931_100000217233 [0,2,0,0,0,0|1,0,1]=4 6747 B10R0.91 CCCSCC(=O)NCCO 240690a_100000210304_100000217233 [0,2,0,0,0,0|1,0,1]=4 6748 B10R0.91 CCCSCC(=O)NCCO 527a_100000210304_100000217233 [0,2,0,0,0,0|1,0,1]=4 6749 B10R0.91 CCCSCC(=O)NNCC 22a_100000756455_100000217233 [0,2,0,0,0,0|1,0,1]=4 6750 B10R0.91 CCNNC(=O)C=CCOC 22a_100000756455_100016285016 [0,2,0,0,0,0|2,0,0]=4 6751 B10R0.91 CCNNC(=O)C=COCC 22a_100000756455_100016266692 [0,2,0,0,0,0|2,0,0]=4 6752 B10R0.91 CCNNC(=O)CCCOC 22a_100000756455_100000741012 [0,2,0,0,0,0|1,0,1]=4 6753 B10R0.91 CCNNC(=O)CCCSC 22a_100000756455_100000173376 [0,2,0,0,0,0|1,0,1]=4 6754 B10R0.91 CCNNC(=O)CCOCC 22a_100000756455_100000749530 [0,2,0,0,0,0|1,0,1]=4 6755 B10R0.91 CCNNC(=O)CCSCC 22a_100000756455_100000230768 [0,2,0,0,0,0|1,0,1]=4 6756 B10R0.91 CCOC=CC(=O)CCC#N 1458a_100016266692_100011215226 [0,2,0,0,0,0|1,0,1]=4 6757 B10R0.91 CCOC=CC(=O)CCCF 1458a_100016266692_100011934791 [0,2,0,0,0,0|1,0,0]=3 6758 B10R0.91 CCOC=CC(=O)CCCO 1458a_100016266692_100011215043 [0,2,0,0,0,0|1,0,0]=3 6759 B10R0.91 CCOC=CC(=O)CCOC 1458a_100016266692_100000233755 [0,2,0,0,0,0|1,0,0]=3 6760 B10R0.91 CCOC=CC(=O)CCSC 1458a_100016266692_100000751147 [0,2,0,0,0,0|1,0,0]=3 6761 B10R0.91 CCOC=CC(=O)NCCF 11a_100000724931_100016266692 [0,2,0,0,0,0|2,0,0]=4 6762 B10R0.91 CCOC=CC(=O)NCCF 1626a_100000724931_100016266692 [0,2,0,0,0,0|2,0,0]=4 6763 B10R0.91 CCOC=CC(=O)NCCF 240690a_100000724931_100016266692 [0,2,0,0,0,0|2,0,0]=4 6764 B10R0.91 CCOC=CC(=O)NCCO 240690a_100000210304_100016266692 [0,2,0,0,0,0|2,0,0]=4 6765 B10R0.91 CCOCC(=O)CCCCF 1458a_100000211967_100000729493 [0,2,0,0,0,0|0,0,2]=4 6766 B10R0.91 CCOCC(=O)CCCCO 1458a_100000211967_100000210776 [0,2,0,0,0,0|0,0,2]=4 6767 B10R0.91 CCOCC(=O)CCCOC 1458a_100000211967_100000740836 [0,2,0,0,0,0|0,0,2]=4 6768 B10R0.91 CCOCC(=O)CCSCC 1458a_100000211967_100000757381 [0,2,0,0,0,0|0,0,2]=4 6769 B10R0.91 CCOCCC(=O)C#CCO 1458a_100000049017_100011215890 [0,2,0,0,0,0|0,0,2]=4 6770 B10R0.91 CCOCCC(=O)C=COC 1458a_100016268678_100011215890 [0,2,0,0,0,0|0,0,0]=2 6771 B10R0.91 CCOCCC(=O)CCCF 1458a_100000749530_100011934791 [0,2,0,0,0,0|0,0,2]=4 6772 B10R0.91 CCOCCC(=O)CCCO 1458a_100000749530_100011215043 [0,2,0,0,0,0|0,0,2]=4 6773 B10R0.91 CCOCCC(=O)CCOC 1458a_100000749529_100011215890 [0,2,0,0,0,0|0,0,2]=4 6774 B10R0.91 CCOCCC(=O)CCOC 1458a_100000749530_100000233755 [0,2,0,0,0,0|0,0,2]=4 6775 B10R0.91 CCOCCC(=O)CCSC 1458a_100000174002_100011215890 [0,2,0,0,0,0|0,0,2]=4 6776 B10R0.91 CCOCCC(=O)CCSC 1458a_100000749530_100000751147 [0,2,0,0,0,0|0,0,2]=4 6777 B10R0.91 CCOCCC(=O)COCC 1458a_100000211967_100011215890 [0,2,0,0,0,0|0,0,2]=4 6778 B10R0.91 CCOCCC(=O)CSCC 1458a_100000230394_100011215890 [0,2,0,0,0,0|0,0,2]=4 6779 B10R0.91 CCOCCC(=O)NCCF 11a_100000724931_100000749530 [0,2,0,0,0,0|1,0,1]=4 6780 B10R0.91 CCOCCC(=O)NCCF 1626a_100000724931_100000749530 [0,2,0,0,0,0|1,0,1]=4 6781 B10R0.91 CCOCCC(=O)NCCF 240690a_100000724931_100000749530 [0,2,0,0,0,0|1,0,1]=4 6782 B10R0.91 CCOCCC(=O)NCCF 527a_100000724931_100000749530 [0,2,0,0,0,0|1,0,1]=4 6783 B10R0.91 CCOCCC(=O)NCCO 240690a_100000210304_100000749530 [0,2,0,0,0,0|1,0,1]=4 6784 B10R0.91 CCOCCC(=O)NCCO 527a_100000210304_100000749530 [0,2,0,0,0,0|1,0,1]=4 6785 B10R0.91 CCSCC(=O)CCCCF 1458a_100000230394_100000729493 [0,2,0,0,0,0|0,0,2]=4 6786 B10R0.91 CCSCC(=O)CCCCO 1458a_100000230394_100000210776 [0,2,0,0,0,0|0,0,2]=4 6787 B10R0.91 CCSCC(=O)CCCOC 1458a_100000230394_100000740836 [0,2,0,0,0,0|0,0,2]=4 6788 B10R0.91 CCSCCC(=O)C#CCO 1458a_100000049017_100000757381 [0,2,0,0,0,0|0,0,2]=4 6789 B10R0.91 CCSCCC(=O)C=COC 1458a_100016268678_100000757381 [0,2,0,0,0,0|0,0,0]=2 6790 B10R0.91 CCSCCC(=O)CCCF 1458a_100000230768_100011934791 [0,2,0,0,0,0|0,0,2]=4 6791 B10R0.91 CCSCCC(=O)CCCO 1458a_100000230768_100011215043 [0,2,0,0,0,0|0,0,2]=4 6792 B10R0.91 CCSCCC(=O)CCOC 1458a_100000230768_100000233755 [0,2,0,0,0,0|0,0,2]=4 6793 B10R0.91 CCSCCC(=O)CCOC 1458a_100000749529_100000757381 [0,2,0,0,0,0|0,0,2]=4 6794 B10R0.91 CCSCCC(=O)CCSC 1458a_100000174002_100000757381 [0,2,0,0,0,0|0,0,2]=4 6795 B10R0.91 CCSCCC(=O)CCSC 1458a_100000230768_100000751147 [0,2,0,0,0,0|0,0,2]=4 6796 B10R0.91 CCSCCC(=O)CSCC 1458a_100000230394_100000757381 [0,2,0,0,0,0|0,0,2]=4 6797 B10R0.91 CCSCCC(=O)NCCF 11a_100000724931_100000230768 [0,2,0,0,0,0|1,0,1]=4 6798 B10R0.91 CCSCCC(=O)NCCF 1626a_100000724931_100000230768 [0,2,0,0,0,0|1,0,1]=4 6799 B10R0.91 CCSCCC(=O)NCCF 240690a_100000724931_100000230768 [0,2,0,0,0,0|1,0,1]=4 6800 B10R0.91 CCSCCC(=O)NCCF 527a_100000724931_100000230768 [0,2,0,0,0,0|1,0,1]=4 6801 B10R0.91 CCSCCC(=O)NCCO 240690a_100000210304_100000230768 [0,2,0,0,0,0|1,0,1]=4 6802 B10R0.91 CCSCCC(=O)NCCO 527a_100000210304_100000230768 [0,2,0,0,0,0|1,0,1]=4 6803 B10R0.91 COC=CC(=O)CC#CCO 1458a_100016268678_200000047223 [0,2,0,0,0,0|0,0,2]=4 6804 B10R0.91 COC=CC(=O)CCCC#N 1458a_100016268678_100000211468 [0,2,0,0,0,0|0,0,1]=3 6805 B10R0.91 COC=CC(=O)CCCCF 1458a_100016268678_100000729493 [0,2,0,0,0,0|0,0,0]=2 6806 B10R0.91 COC=CC(=O)CCCCO 1458a_100016268678_100000210776 [0,2,0,0,0,0|0,0,0]=2 6807 B10R0.91 COC=CC(=O)CCCOC 1458a_100016268678_100000740836 [0,2,0,0,0,0|0,0,0]=2 6808 B10R0.91 COC=CC(=O)NCCC#N 1626a_100000720768_100016268678 [0,2,0,0,0,0|1,0,1]=4 6809 B10R0.91 COC=CC(=O)NCCC#N 240690a_100000720768_100016268678 [0,2,0,0,0,0|1,0,1]=4 6810 B10R0.91 COC=CC(=O)NCCCF 1626a_100015189416_100016268678 [0,2,0,0,0,0|1,0,0]=3 6811 B10R0.91 COC=CC(=O)NCCCF 240690a_100015189416_100016268678 [0,2,0,0,0,0|1,0,0]=3 6812 B10R0.91 COC=CC(=O)NCCCO 240690a_100000182051_100016268678 [0,2,0,0,0,0|1,0,0]=3 6813 B10R0.91 COC=CC(=O)NCCOC 1626a_100000209980_100016268678 [0,2,0,0,0,0|1,0,0]=3 6814 B10R0.91 COC=CC(=O)NCCOC 240690a_100000209980_100016268678 [0,2,0,0,0,0|1,0,0]=3 6815 B10R0.91 COC=CC(=O)NCCSC 1626a_100020590264_100016268678 [0,2,0,0,0,0|1,0,0]=3 6816 B10R0.91 COC=CC(=O)NCCSC 240690a_100020590264_100016268678 [0,2,0,0,0,0|1,0,0]=3 6817 B10R0.91 COC=CC(=O)NNCCO 22a_100000210001_100016268678 [0,2,0,0,0,0|2,0,0]=4 6818 B10R0.91 COCC=CC(=O)CCC#N 1458a_100016285016_100011215226 [0,2,0,0,0,0|1,0,1]=4 6819 B10R0.91 COCC=CC(=O)CCCF 1458a_100016285016_100011934791 [0,2,0,0,0,0|1,0,0]=3 6820 B10R0.91 COCC=CC(=O)CCCO 1458a_100016285016_100011215043 [0,2,0,0,0,0|1,0,0]=3 6821 B10R0.91 COCC=CC(=O)CCOC 1458a_100016285016_100000233755 [0,2,0,0,0,0|1,0,0]=3 6822 B10R0.91 COCC=CC(=O)CCSC 1458a_100016285016_100000751147 [0,2,0,0,0,0|1,0,0]=3 6823 B10R0.91 COCC=CC(=O)NCCF 11a_100000724931_100016285016 [0,2,0,0,0,0|2,0,0]=4 6824 B10R0.91 COCC=CC(=O)NCCF 1626a_100000724931_100016285016 [0,2,0,0,0,0|2,0,0]=4 6825 B10R0.91 COCC=CC(=O)NCCF 240690a_100000724931_100016285016 [0,2,0,0,0,0|2,0,0]=4 6826 B10R0.91 COCC=CC(=O)NCCO 240690a_100000210304_100016285016 [0,2,0,0,0,0|2,0,0]=4 6827 B10R0.91 COCCC(=O)CCCCF 1458a_100000749529_100000729493 [0,2,0,0,0,0|0,0,2]=4 6828 B10R0.91 COCCC(=O)CCCCO 1458a_100000695505_100000233755 [0,2,0,0,0,0|0,0,2]=4 6829 B10R0.91 COCCC(=O)CCCCO 1458a_100000749529_100000210776 [0,2,0,0,0,0|0,0,2]=4 6830 B10R0.91 COCCC(=O)CCCSC 1458a_100000173376_100000233755 [0,2,0,0,0,0|0,0,2]=4 6831 B10R0.91 COCCCC(=O)C#CCO 1458a_100000049017_100000740836 [0,2,0,0,0,0|0,0,2]=4 6832 B10R0.91 COCCCC(=O)CCCF 1458a_100000741012_100011934791 [0,2,0,0,0,0|0,0,2]=4 6833 B10R0.91 COCCCC(=O)CCCO 1458a_100000741012_100011215043 [0,2,0,0,0,0|0,0,2]=4 6834 B10R0.91 COCCCC(=O)CCOC 1458a_100000741012_100000233755 [0,2,0,0,0,0|0,0,2]=4 6835 B10R0.91 COCCCC(=O)CCOC 1458a_100000749529_100000740836 [0,2,0,0,0,0|0,0,2]=4 6836 B10R0.91 COCCCC(=O)CCSC 1458a_100000174002_100000740836 [0,2,0,0,0,0|0,0,2]=4 6837 B10R0.91 COCCCC(=O)CCSC 1458a_100000741012_100000751147 [0,2,0,0,0,0|0,0,2]=4 6838 B10R0.91 COCCCC(=O)NCCF 11a_100000724931_100000741012 [0,2,0,0,0,0|1,0,1]=4 6839 B10R0.91 COCCCC(=O)NCCF 1626a_100000724931_100000741012 [0,2,0,0,0,0|1,0,1]=4 6840 B10R0.91 COCCCC(=O)NCCF 240690a_100000724931_100000741012 [0,2,0,0,0,0|1,0,1]=4 6841 B10R0.91 COCCCC(=O)NCCF 527a_100000724931_100000741012 [0,2,0,0,0,0|1,0,1]=4 6842 B10R0.91 COCCCC(=O)NCCO 240690a_100000210304_100000741012 [0,2,0,0,0,0|1,0,1]=4 6843 B10R0.91 COCCCC(=O)NCCO 527a_100000210304_100000741012 [0,2,0,0,0,0|1,0,1]=4 6844 B10R0.91 CSCCC(=O)CCCCF 1458a_100000174002_100000729493 [0,2,0,0,0,0|0,0,2]=4 6845 B10R0.91 CSCCC(=O)CCCCO 1458a_100000174002_100000210776 [0,2,0,0,0,0|0,0,2]=4 6846 B10R0.91 CSCCC(=O)CCCCO 1458a_100000695505_100000751147 [0,2,0,0,0,0|0,0,2]=4 6847 B10R0.91 CSCCCC(=O)CCCF 1458a_100000173376_100011934791 [0,2,0,0,0,0|0,0,2]=4 6848 B10R0.91 CSCCCC(=O)CCCO 1458a_100000173376_100011215043 [0,2,0,0,0,0|0,0,2]=4 6849 B10R0.91 CSCCCC(=O)CCSC 1458a_100000173376_100000751147 [0,2,0,0,0,0|0,0,2]=4 6850 B10R0.91 CSCCCC(=O)NCCF 11a_100000724931_100000173376 [0,2,0,0,0,0|1,0,1]=4 6851 B10R0.91 CSCCCC(=O)NCCF 1626a_100000724931_100000173376 [0,2,0,0,0,0|1,0,1]=4 6852 B10R0.91 CSCCCC(=O)NCCF 240690a_100000724931_100000173376 [0,2,0,0,0,0|1,0,1]=4 6853 B10R0.91 CSCCCC(=O)NCCF 527a_100000724931_100000173376 [0,2,0,0,0,0|1,0,1]=4 6854 B10R0.91 CSCCCC(=O)NCCO 240690a_100000210304_100000173376 [0,2,0,0,0,0|1,0,1]=4 6855 B10R0.91 CSCCCC(=O)NCCO 527a_100000210304_100000173376 [0,2,0,0,0,0|1,0,1]=4 6856 B10R0.91 O=C(C#CCO)CCCCF 1458a_100000049017_100000729493 [0,2,0,0,0,0|0,0,2]=4 6857 B10R0.91 O=C(C#CCO)CCCCO 1458a_100000049017_100000210776 [0,2,0,0,0,0|0,0,2]=4 6858 B10R0.91 O=C(CCCCO)NCCF 1626a_100000724931_100000695505 [0,2,0,0,0,0|1,0,1]=4 6859 B10R0.91 O=C(CCCF)CCCCO 1458a_100000695505_100011934791 [0,2,0,0,0,0|0,0,2]=4 6860 B10R0.91 O=C(CCCO)CCCCO 1458a_100000695505_100011215043 [0,2,0,0,0,0|0,0,2]=4 6861 B10R0.108 C/C=C/C(C)OCC(C)CC 34a_200102604097_100000748023 [0,2,0,0,0,0|1,0,1]=4 6862 B10R0.108 C/C=C/C(C)OCC(O)CC 34a_200102604097_100011218378 [0,2,0,0,0,0|1,0,1]=4 6863 B10R0.108 C/C=C/C(C)OC[C@@H](C)CC 34a_200102604097_100009816398 [0,2,0,0,0,0|1,0,1]=4 6864 B10R0.108 C=CCC(=O)CCC(C)CC 1458a_100000701222_100000210623 [0,2,0,0,0,0|0,0,2]=4 6865 B10R0.108 C=CCC(=O)CCN(C)CC 1458a_100000755305_100000210623 [0,2,0,0,0,0|0,0,2]=4 6866 B10R0.108 C=CCC(=O)CCS(=O)CC 1458a_100011387550_100000210623 [0,2,0,0,0,0|0,0,2]=4 6867 B10R0.108 C=CCC(=O)NCC(C)CC 11a_100020588543_100000210193 [0,2,0,0,0,0|0,0,2]=4 6868 B10R0.108 C=CCC(=O)NCC(C)CC 1626a_100020588543_100000210193 [0,2,0,0,0,0|0,0,2]=4 6869 B10R0.108 C=CCC(=O)NCC(C)CC 240690a_100020588543_100000210193 [0,2,0,0,0,0|0,0,2]=4 6870 B10R0.108 C=CCC(=O)NCC(C)CC 527a_100020588543_100000210193 [0,2,0,0,0,0|0,0,2]=4 6871 B10R0.108 C=CCC(=O)NCC(O)CC 11a_100011218483_100000210193 [0,2,0,0,0,0|0,0,2]=4 6872 B10R0.108 C=CCC(=O)NCC(O)CC 240690a_100011218483_100000210193 [0,2,0,0,0,0|0,0,2]=4 6873 B10R0.108 C=CCC(=O)NCC(O)CC 527a_100011218483_100000210193 [0,2,0,0,0,0|0,0,2]=4 6874 B10R0.108 C=COC(=O)CNC(C)CC 2230a_100000209981_100000036128 [0,2,0,0,0,0|1,0,1]=4 6875 B10R0.108 C=COC(=O)CSC(C)CC 62a_100000036128_100000758301 [0,2,0,0,0,0|1,0,1]=4 6876 B10R0.108 C=COC(=O)CSC(C)CC 62a_100000758301_100000036128 [0,2,0,0,0,0|1,0,1]=4 6877 B10R0.108 CC(CO)CNC(=O)C=CBr 240690a_100000744482_100016273825 [0,2,0,0,0,0|2,0,0]=4 6878 B10R0.108 CC(CO)CNC(=O)C=CCl 240690a_100000744482_200016279998 [0,2,0,0,0,0|2,0,0]=4 6879 B10R0.108 CC=CC(=NNC(C)CC)C 4a_100000718999_100011218416 [0,2,0,0,0,0|2,0,0]=4 6880 B10R0.108 CC=CC(=O)NCC(=O)NC 11a_100000693194_100000210699 [0,2,0,0,0,0|1,0,1]=4 6881 B10R0.108 CC=CC(=O)NCC(=O)NC 240690a_100000693194_100000210699 [0,2,0,0,0,0|1,0,1]=4 6882 B10R0.108 CC=CC(=O)NCC(=O)OC 188690a_100000185156_100000210699 [0,2,0,0,0,0|1,0,1]=4 6883 B10R0.108 CC=CC(=O)NCC(C)CC 11a_100020588543_100000210699 [0,2,0,0,0,0|0,0,0]=2 6884 B10R0.108 CC=CC(=O)NCC(C)CC 1626a_100020588543_100000210699 [0,2,0,0,0,0|0,0,0]=2 6885 B10R0.108 CC=CC(=O)NCC(C)CC 240690a_100020588543_100000210699 [0,2,0,0,0,0|0,0,0]=2 6886 B10R0.108 CC=CC(=O)NCC(C)CO 240690a_100000744482_100000210699 [0,2,0,0,0,0|1,0,0]=3 6887 B10R0.108 CC=CC(=O)NCC(O)CC 11a_100011218483_100000210699 [0,2,0,0,0,0|0,0,0]=2 6888 B10R0.108 CC=CC(=O)NCC(O)CC 240690a_100011218483_100000210699 [0,2,0,0,0,0|0,0,0]=2 6889 B10R0.108 CC=CC(=O)NC[C@@H](C)OC 11a_100020591295_100000210699 [0,2,0,0,0,0|1,0,0]=3 6890 B10R0.108 CC=CC(=O)NC[C@@H](C)OC 1626a_100020591295_100000210699 [0,2,0,0,0,0|1,0,0]=3 6891 B10R0.108 CC=CC(=O)NC[C@@H](C)OC 240690a_100020591295_100000210699 [0,2,0,0,0,0|1,0,0]=3 6892 B10R0.108 CC=CC(=O)NC[C@@H](F)CO 240690a_100015665980_100000210699 [0,2,0,0,0,0|1,0,0]=3 6893 B10R0.108 CC=CC(=O)NC[C@H](O)CO 240690a_100020644852_100000210699 [0,2,0,0,0,0|1,0,0]=3 6894 B10R0.108 CC=CC(=O)NNC(=O)CC 22a_100000183195_100000210699 [0,2,0,0,0,0|1,0,1]=4 6895 B10R0.108 CC=CC(=O)NNC(C)CC 22a_100000718999_100000210699 [0,2,0,0,0,0|1,0,0]=3 6896 B10R0.108 CCC(C)CCC(=O)NNC 22a_100016993582_100000701222 [0,2,0,0,0,0|2,0,0]=4 6897 B10R0.108 CCC(C)CNC(=O)C=CBr 1626a_100020588543_100016273825 [0,2,0,0,0,0|1,0,0]=3 6898 B10R0.108 CCC(C)CNC(=O)C=CBr 240690a_100020588543_100016273825 [0,2,0,0,0,0|1,0,0]=3 6899 B10R0.108 CCC(C)CNC(=O)C=CCl 11a_100020588543_200016279998 [0,2,0,0,0,0|1,0,0]=3 6900 B10R0.108 CCC(C)CNC(=O)C=CCl 1626a_100020588543_200016279998 [0,2,0,0,0,0|1,0,0]=3 6901 B10R0.108 CCC(C)CNC(=O)C=CCl 240690a_100020588543_200016279998 [0,2,0,0,0,0|1,0,0]=3 6902 B10R0.108 CCC(C)CNC(=O)C=CI 1626a_100020588543_100016256311 [0,2,0,0,0,0|1,0,0]=3 6903 B10R0.108 CCC(C)CNC(=O)COC 11a_100020588543_100000210968 [0,2,0,0,0,0|1,0,1]=4 6904 B10R0.108 CCC(C)CNC(=O)COC 1626a_100020588543_100000210968 [0,2,0,0,0,0|1,0,1]=4 6905 B10R0.108 CCC(C)CNC(=O)COC 240690a_100020588543_100000210968 [0,2,0,0,0,0|1,0,1]=4 6906 B10R0.108 CCC(C)CNC(=O)COC 527a_100020588543_100000210968 [0,2,0,0,0,0|1,0,1]=4 6907 B10R0.108 CCC(C)CNC(=O)CSC 11a_100020588543_100000184570 [0,2,0,0,0,0|1,0,1]=4 6908 B10R0.108 CCC(C)CNC(=O)CSC 1626a_100020588543_100000184570 [0,2,0,0,0,0|1,0,1]=4 6909 B10R0.108 CCC(C)CNC(=O)CSC 240690a_100020588543_100000184570 [0,2,0,0,0,0|1,0,1]=4 6910 B10R0.108 CCC(C)CNC(=O)CSC 527a_100020588543_100000184570 [0,2,0,0,0,0|1,0,1]=4 6911 B10R0.108 CCC(C)CNC(=O)NNC 273464a_100020588543_100016993582 [0,2,0,0,0,0|2,0,0]=4 6912 B10R0.108 CCC(C)CNC(=O)NNC 512a_100016993582_100020588543 [0,2,0,0,0,0|2,0,0]=4 6913 B10R0.108 CCC(C)CNC(=O)NNC 512a_100020588543_100016993582 [0,2,0,0,0,0|2,0,0]=4 6914 B10R0.108 CCC(O)CCC(=O)NNC 22a_100016993582_203496584001 [0,2,0,0,0,0|2,0,0]=4 6915 B10R0.108 CCC(O)CNC(=O)C=CBr 240690a_100011218483_100016273825 [0,2,0,0,0,0|1,0,0]=3 6916 B10R0.108 CCC(O)CNC(=O)C=CCl 11a_100011218483_200016279998 [0,2,0,0,0,0|1,0,0]=3 6917 B10R0.108 CCC(O)CNC(=O)C=CCl 240690a_100011218483_200016279998 [0,2,0,0,0,0|1,0,0]=3 6918 B10R0.108 CCC(O)CNC(=O)COC 11a_100011218483_100000210968 [0,2,0,0,0,0|1,0,1]=4 6919 B10R0.108 CCC(O)CNC(=O)COC 240690a_100011218483_100000210968 [0,2,0,0,0,0|1,0,1]=4 6920 B10R0.108 CCC(O)CNC(=O)COC 527a_100011218483_100000210968 [0,2,0,0,0,0|1,0,1]=4 6921 B10R0.108 CCC(O)CNC(=O)CSC 11a_100011218483_100000184570 [0,2,0,0,0,0|1,0,1]=4 6922 B10R0.108 CCC(O)CNC(=O)CSC 240690a_100011218483_100000184570 [0,2,0,0,0,0|1,0,1]=4 6923 B10R0.108 CCC(O)CNC(=O)CSC 527a_100011218483_100000184570 [0,2,0,0,0,0|1,0,1]=4 6924 B10R0.108 CCC(O)CNC(=O)NNC 273464a_100011218483_100016993582 [0,2,0,0,0,0|2,0,0]=4 6925 B10R0.108 CCC(O)CNC(=O)NNC 512a_100011218483_100016993582 [0,2,0,0,0,0|2,0,0]=4 6926 B10R0.108 CCCC(=O)CCC(C)CC 1458a_100000701222_100000210303 [0,2,0,0,0,0|0,0,2]=4 6927 B10R0.108 CCCC(=O)CCN(C)CC 1458a_100000755305_100000210303 [0,2,0,0,0,0|0,0,2]=4 6928 B10R0.108 CCCC(=O)CCS(=O)CC 1458a_100011387550_100000210303 [0,2,0,0,0,0|0,0,2]=4 6929 B10R0.108 CCCC(=O)CNC(C)CC 2230a_100000209981_100000747444 [0,2,0,0,0,0|0,0,2]=4 6930 B10R0.108 CCCC(=O)COC(C)CC 7a_100000210228_100000747444 [0,2,0,0,0,0|0,0,2]=4 6931 B10R0.108 CCCC(=O)CSC(C)CC 62a_100000747444_100000758301 [0,2,0,0,0,0|0,0,2]=4 6932 B10R0.108 CCCC(=O)CSC(C)CC 62a_100000758301_100000747444 [0,2,0,0,0,0|0,0,2]=4 6933 B10R0.108 CCCC(=O)NCC(C)CC 11a_100020588543_100000211992 [0,2,0,0,0,0|0,0,2]=4 6934 B10R0.108 CCCC(=O)NCC(C)CC 1626a_100020588543_100000211992 [0,2,0,0,0,0|0,0,2]=4 6935 B10R0.108 CCCC(=O)NCC(C)CC 240690a_100020588543_100000211992 [0,2,0,0,0,0|0,0,2]=4 6936 B10R0.108 CCCC(=O)NCC(C)CC 527a_100020588543_100000211992 [0,2,0,0,0,0|0,0,2]=4 6937 B10R0.108 CCCC(=O)NCC(O)CC 11a_100011218483_100000211992 [0,2,0,0,0,0|0,0,2]=4 6938 B10R0.108 CCCC(=O)NCC(O)CC 240690a_100011218483_100000211992 [0,2,0,0,0,0|0,0,2]=4 6939 B10R0.108 CCCC(=O)NCC(O)CC 527a_100011218483_100000211992 [0,2,0,0,0,0|0,0,2]=4 6940 B10R0.108 CCN(C)CCC(=O)NNC 22a_100016993582_100000755305 [0,2,0,0,0,0|2,0,0]=4 6941 B10R0.108 CCNC(=O)CCC(=O)CC 1458a_100000199579_100000210202 [0,2,0,0,0,0|1,0,1]=4 6942 B10R0.108 CCNC(=O)CCC(C)CC 11a_100015525214_100000701222 [0,2,0,0,0,0|1,0,1]=4 6943 B10R0.108 CCNC(=O)CCC(C)CC 240690a_100015525214_100000701222 [0,2,0,0,0,0|1,0,1]=4 6944 B10R0.108 CCNC(=O)CCC(C)CC 527a_100015525214_100000701222 [0,2,0,0,0,0|1,0,1]=4 6945 B10R0.108 CCNC(=O)CCC(O)CC 240690a_100015525214_203496584001 [0,2,0,0,0,0|1,0,1]=4 6946 B10R0.108 CCNC(=O)CCN(C)CC 2230a_100000225621_100000737597 [0,2,0,0,0,0|1,0,1]=4 6947 B10R0.108 CCNC(=O)CCN(C)CC 240690a_100015525214_100000755305 [0,2,0,0,0,0|1,0,1]=4 6948 B10R0.108 CCNC(=O)CCN(C)CC 269982a_100000225621_100000737597 [0,2,0,0,0,0|1,0,1]=4 6949 B10R0.108 CCNC(=O)CCS(=O)CC 11a_100015525214_100011387550 [0,2,0,0,0,0|1,0,1]=4 6950 B10R0.108 CCNC(=O)CCS(=O)CC 240690a_100015525214_100011387550 [0,2,0,0,0,0|1,0,1]=4 6951 B10R0.108 CCNC(=O)CCS(=O)CC 527a_100015525214_100011387550 [0,2,0,0,0,0|1,0,1]=4 6952 B10R0.108 CCNC(=O)CNC(C)CC 2230a_100000209981_100000183381 [0,2,0,0,0,0|1,0,1]=4 6953 B10R0.108 CCNC(=O)CNC(C)CC 2230a_100016988866_100000758301 [0,2,0,0,0,0|1,0,1]=4 6954 B10R0.108 CCNC(=O)COC(C)CC 7a_100000210228_100000183381 [0,2,0,0,0,0|1,0,1]=4 6955 B10R0.108 CCNC(=O)CSC(C)CC 62a_100000183381_100000758301 [0,2,0,0,0,0|1,0,1]=4 6956 B10R0.108 CCNC(=O)CSC(C)CC 62a_100000758301_100000183381 [0,2,0,0,0,0|1,0,1]=4 6957 B10R0.108 CCNC(=O)NCC(C)CC 2708a_100015525214_100020588543 [0,2,0,0,0,0|1,0,1]=4 6958 B10R0.108 CCNC(=O)NCC(C)CC 2708a_100020588543_100015525214 [0,2,0,0,0,0|1,0,1]=4 6959 B10R0.108 CCNC(=O)NCC(C)CC 273464a_100015525214_100020588543 [0,2,0,0,0,0|1,0,1]=4 6960 B10R0.108 CCNC(=O)NCC(C)CC 273464a_100020588543_100015525214 [0,2,0,0,0,0|1,0,1]=4 6961 B10R0.108 CCNC(=O)NCC(C)CC 512a_100015525214_100020588543 [0,2,0,0,0,0|1,0,1]=4 6962 B10R0.108 CCNC(=O)NCC(C)CC 512a_100020588543_100015525214 [0,2,0,0,0,0|1,0,1]=4 6963 B10R0.108 CCNC(=O)NCC(O)CC 2708a_100015525214_100011218483 [0,2,0,0,0,0|1,0,1]=4 6964 B10R0.108 CCNC(=O)NCC(O)CC 273464a_100011218483_100015525214 [0,2,0,0,0,0|1,0,1]=4 6965 B10R0.108 CCNC(=O)NCC(O)CC 273464a_100015525214_100011218483 [0,2,0,0,0,0|1,0,1]=4 6966 B10R0.108 CCNC(=O)NCC(O)CC 512a_100011218483_100015525214 [0,2,0,0,0,0|1,0,1]=4 6967 B10R0.108 CCOC(=O)CCC(=O)CC 1458a_100000183558_100000210202 [0,2,0,0,0,0|1,0,1]=4 6968 B10R0.108 CCOC(=O)CCC(C)NC 2230a_106832991635_100000748298 [0,2,0,0,0,0|1,0,1]=4 6969 B10R0.108 CCOC(=O)CCC(C)NC 34a_100102657272_100000748298 [0,2,0,0,0,0|1,0,1]=4 6970 B10R0.108 CCOC(=O)CCC(C)NC 7a_106832991635_100000748298 [0,2,0,0,0,0|1,0,1]=4 6971 B10R0.108 CCOC(=O)CCC(C)OC 34a_100138415774_100000748298 [0,2,0,0,0,0|1,0,1]=4 6972 B10R0.108 CCOC(=O)CCC(C)SC 62a_100000748298_200000210301 [0,2,0,0,0,0|1,0,1]=4 6973 B10R0.108 CCOC(=O)CCC(C)SC 62a_200000210301_100000748298 [0,2,0,0,0,0|1,0,1]=4 6974 B10R0.108 CCOC(=O)CCC(C)S[13CH3] 62a_100000748298_200025704644 [0,2,0,0,0,0|1,0,1]=4 6975 B10R0.108 CCOC(=O)CCC(C)S[13CH3] 62a_200025704644_100000748298 [0,2,0,0,0,0|1,0,1]=4 6976 B10R0.108 CCOC(=O)CCN(C)CC 2230a_100000225621_100011206558 [0,2,0,0,0,0|1,0,1]=4 6977 B10R0.108 CCOC(=O)CCN(C)CC 2230a_100000745921_100000210202 [0,2,0,0,0,0|1,0,1]=4 6978 B10R0.108 CCOC(=O)CCN(C)CC 2230a_200011277716_200000210301 [0,2,0,0,0,0|1,0,1]=4 6979 B10R0.108 CCOC(=O)CCN(C)CC 269982a_100000225621_100011206558 [0,2,0,0,0,0|1,0,1]=4 6980 B10R0.108 CCOC(=O)CCN(C)CC 269982a_100000745921_100000204670 [0,2,0,0,0,0|1,0,1]=4 6981 B10R0.108 CCOC(=O)CCN(C)CC 269982a_200011277716_200000210301 [0,2,0,0,0,0|1,0,1]=4 6982 B10R0.108 CCOC(=O)CCN([13CH3])CC 2230a_200011277716_200025704644 [0,2,0,0,0,0|1,0,1]=4 6983 B10R0.108 CCOC(=O)CCN([13CH3])CC 269982a_200011277716_200025704644 [0,2,0,0,0,0|1,0,1]=4 6984 B10R0.108 CCOC(=O)CNC(C)CC 2230a_100000209981_100000188475 [0,2,0,0,0,0|1,0,1]=4 6985 B10R0.108 CCOC(=O)COC(C)CC 7a_100000210228_100000188475 [0,2,0,0,0,0|1,0,1]=4 6986 B10R0.108 CCOC(=O)CSC(C)CC 62a_100000188475_100000758301 [0,2,0,0,0,0|1,0,1]=4 6987 B10R0.108 CCOC(=O)CSC(C)CC 62a_100000758301_100000188475 [0,2,0,0,0,0|1,0,1]=4 6988 B10R0.108 CO[C@H](C)CNC(=O)C=CBr 1626a_100020591295_100016273825 [0,2,0,0,0,0|2,0,0]=4 6989 B10R0.108 CO[C@H](C)CNC(=O)C=CBr 240690a_100020591295_100016273825 [0,2,0,0,0,0|2,0,0]=4 6990 B10R0.108 CO[C@H](C)CNC(=O)C=CCl 11a_100020591295_200016279998 [0,2,0,0,0,0|2,0,0]=4 6991 B10R0.108 CO[C@H](C)CNC(=O)C=CCl 1626a_100020591295_200016279998 [0,2,0,0,0,0|2,0,0]=4 6992 B10R0.108 CO[C@H](C)CNC(=O)C=CCl 240690a_100020591295_200016279998 [0,2,0,0,0,0|2,0,0]=4 6993 B10R0.108 CO[C@H](C)CNC(=O)C=CI 1626a_100020591295_100016256311 [0,2,0,0,0,0|2,0,0]=4 6994 B10R0.108 O=C(C=CBr)NC[C@@H](F)CO 240690a_100015665980_100016273825 [0,2,0,0,0,0|2,0,0]=4 6995 B10R0.108 O=C(C=CBr)NC[C@H](O)CO 240690a_100020644852_100016273825 [0,2,0,0,0,0|2,0,0]=4 6996 B10R0.108 O=C(C=CCl)NC[C@@H](F)CO 240690a_100015665980_200016279998 [0,2,0,0,0,0|2,0,0]=4 6997 B10R0.108 O=C(C=CCl)NC[C@H](O)CO 240690a_100020644852_200016279998 [0,2,0,0,0,0|2,0,0]=4 6998 B10R0.21 CCCCC(=O)C(CC)CC 1458a_100000210183_100000210505 [0,2,0,0,0,0|0,0,2]=4 6999 B10R0.21 CCCCC(=O)C(CC)CC 1458a_100000211163_100000210211 [0,2,0,0,0,0|0,0,2]=4 7000 B10R0.21 CCCCC(=O)C(CC)OC 1458a_100000747056_100000210211 [0,2,0,0,0,0|0,0,2]=4 7001 B10R0.21 CCCCC(=O)C(OC)OC 1458a_100000046285_100000210211 [0,2,0,0,0,0|1,0,1]=4 7002 B10R0.21 CCCCC(=O)N(CC)CC 11a_100000724800_100000210183 [0,2,0,0,0,0|1,0,1]=4 7003 B10R0.21 CCCCC(=O)N(CC)CC 1626a_100000724800_100000210183 [0,2,0,0,0,0|1,0,1]=4 7004 B10R0.21 CCCCC(=O)N(CC)CC 240690a_100000724800_100000210183 [0,2,0,0,0,0|1,0,1]=4 7005 B10R0.21 CCCCC(=O)N(CC)CC 527a_100000724800_100000210183 [0,2,0,0,0,0|1,0,1]=4 7006 B10R0.35 C/C=C(\C)/C(=O)C(C)CC#N 1458a_100020587367_100009813641 [0,2,0,0,0,0|1,0,1]=4 7007 B10R0.35 C/C=C(\C)/C(=O)C(C)CCC 1458a_100020587367_100000766640 [0,2,0,0,0,0|0,0,0]=2 7008 B10R0.35 C/C=C(\C)/C(=O)C(C)CCO 1458a_100020587367_100009893172 [0,2,0,0,0,0|1,0,0]=3 7009 B10R0.35 C/C=C(\C)/C(=O)C(C)COC 1458a_100020587367_100000765312 [0,2,0,0,0,0|1,0,0]=3 7010 B10R0.35 C/C=C(\C)/C(=O)N(C)CCC 11a_100000747261_100020587367 [0,2,0,0,0,0|1,0,0]=3 7011 B10R0.35 C/C=C(\C)/C(=O)N(C)CCC 1626a_100000747261_100020587367 [0,2,0,0,0,0|1,0,0]=3 7012 B10R0.35 C=CC(C)C(=O)C(C)CCC 1458a_100011216780_100000766640 [0,2,0,0,0,0|0,0,2]=4 7013 B10R0.35 CC=CC(=O)C(C)C(=O)CC 1458a_100000210699_100000742827 [0,2,0,0,0,0|0,0,1]=3 7014 B10R0.35 CC=CC(=O)C(C)C(=O)NC 1458a_100000210699_100000209862 [0,2,0,0,0,0|1,0,1]=4 7015 B10R0.35 CC=CC(=O)C(C)C(=O)OC 1458a_100000210699_100000211248 [0,2,0,0,0,0|1,0,1]=4 7016 B10R0.35 CC=CC(=O)C(F)C(=O)NC 1458a_100000210699_100009813575 [0,2,0,0,0,0|1,0,1]=4 7017 B10R0.35 CC=CC(=O)N(C)C(C)CC 11a_100000741768_100000210699 [0,2,0,0,0,0|1,0,0]=3 7018 B10R0.35 CC=CC(=O)N(C)C(C)CC 1626a_100000741768_100000210699 [0,2,0,0,0,0|1,0,0]=3 7019 B10R0.35 CC=CC(=O)N(C)C(C)CC 240690a_100000741768_100000210699 [0,2,0,0,0,0|1,0,0]=3 7020 B10R0.35 CC=CC(=O)N(C)C(C)CO 240690a_100000693034_100000210699 [0,2,0,0,0,0|2,0,0]=4 7021 B10R0.35 CCC(=O)C(C)C(=O)C=CBr 1458a_100016273825_100000742827 [0,2,0,0,0,0|1,0,1]=4 7022 B10R0.35 CCC(=O)C(C)C(=O)C=CCl 1458a_200016279998_100000742827 [0,2,0,0,0,0|1,0,1]=4 7023 B10R0.35 CCC(=O)C(C)C(=O)C=CI 1458a_100016256311_100000742827 [0,2,0,0,0,0|1,0,1]=4 7024 B10R0.35 CCC(C)N(C)C(=O)C=CBr 1626a_100000741768_100016273825 [0,2,0,0,0,0|2,0,0]=4 7025 B10R0.35 CCC(C)N(C)C(=O)C=CBr 240690a_100000741768_100016273825 [0,2,0,0,0,0|2,0,0]=4 7026 B10R0.35 CCC(C)N(C)C(=O)C=CCl 11a_100000741768_200016279998 [0,2,0,0,0,0|2,0,0]=4 7027 B10R0.35 CCC(C)N(C)C(=O)C=CCl 1626a_100000741768_200016279998 [0,2,0,0,0,0|2,0,0]=4 7028 B10R0.35 CCC(C)N(C)C(=O)C=CCl 240690a_100000741768_200016279998 [0,2,0,0,0,0|2,0,0]=4 7029 B10R0.35 CCC(C)N(C)C(=O)C=CI 1626a_100000741768_100016256311 [0,2,0,0,0,0|2,0,0]=4 7030 B10R0.35 CCCC(C)C(=O)C(=O)NC 1458a_100011218921_100000766640 [0,2,0,0,0,0|1,0,0]=3 7031 B10R0.35 CCCC(C)C(=O)C(C)CC 1458a_100000210906_100000758301 [0,2,0,0,0,0|0,0,2]=4 7032 B10R0.35 CCCC(C)C(=O)C(C)CC 1458a_100011192722_100000766640 [0,2,0,0,0,0|0,0,2]=4 7033 B10R0.35 CCCC(C)C(=O)C(C)OC 1458a_100000743197_100000766640 [0,2,0,0,0,0|1,0,1]=4 7034 B10R0.35 CCCC(C)C(=O)C(C)SC 1458a_100000149566_100000766640 [0,2,0,0,0,0|1,0,1]=4 7035 B10R0.35 CCCC(C)C(=O)C(O)CC 1458a_100011196387_100000766640 [0,2,0,0,0,0|0,0,2]=4 7036 B10R0.35 CCCC(C)C(=O)N(C)CC 11a_100000225621_100000210906 [0,2,0,0,0,0|1,0,1]=4 7037 B10R0.35 CCCC(C)C(=O)N(C)CC 1626a_100000225621_100000210906 [0,2,0,0,0,0|1,0,1]=4 7038 B10R0.35 CCCC(C)C(=O)N(C)CC 240690a_100000225621_100000210906 [0,2,0,0,0,0|1,0,1]=4 7039 B10R0.35 CCCC(C)C(=O)N(C)CC 527a_100000225621_100000210906 [0,2,0,0,0,0|1,0,1]=4 7040 B10R0.35 CCCN(C)C(=O)C(=O)NC 1626a_100000747261_100011218921 [0,2,0,0,0,0|2,0,0]=4 7041 B10R0.35 CCCN(C)C(=O)C(=O)NC 240690a_100000747261_100011218921 [0,2,0,0,0,0|2,0,0]=4 7042 B10R0.35 CCCN(C)C(=O)C(=O)NC 527a_100000747261_100011218921 [0,2,0,0,0,0|2,0,0]=4 7043 B10R0.35 CCCN(C)C(=O)C(=O)OC 11a_100000747261_100000024059 [0,2,0,0,0,0|2,0,0]=4 7044 B10R0.35 CCCN(C)C(=O)C(=O)OC 1626a_100000747261_100000024059 [0,2,0,0,0,0|2,0,0]=4 7045 B10R0.35 CCCN(C)C(=O)C(=O)OC 240690a_100000747261_100000024059 [0,2,0,0,0,0|2,0,0]=4 7046 B10R0.35 CCCN(C)C(=O)C(=O)OC 527a_100000747261_100000024059 [0,2,0,0,0,0|2,0,0]=4 7047 B10R0.35 CCC[C@H](O)C(=O)C(C)CC 1458a_100009822183_100000758301 [0,2,0,0,0,0|0,0,2]=4 7048 B10R0.35 CCC[C@H](O)C(=O)N(C)CC 240690a_100000225621_100009822183 [0,2,0,0,0,0|1,0,1]=4 7049 B10R0.35 CCNC(C)C(=O)C(=O)OC 2230a_100015525214_100000692041 [0,2,0,0,0,0|2,0,0]=4 7050 B10R0.35 CCOC(C)C(=O)C(=O)OC 34a_100121572206_100000692041 [0,2,0,0,0,0|2,0,0]=4 7051 B10R0.35 CCSC(C)C(=O)C(=O)OC 62a_100000210202_100000692041 [0,2,0,0,0,0|2,0,0]=4 7052 B10R0.35 CCSC(C)C(=O)C(=O)OC 62a_100000692041_100000210202 [0,2,0,0,0,0|2,0,0]=4 7053 B10R0.35 CNC(=O)C(=O)C(C)CCO 1458a_100011218921_100009893172 [0,2,0,0,0,0|2,0,0]=4 7054 B10R0.35 CNC(=O)C(=O)C(C)COC 1458a_100011218921_100000765312 [0,2,0,0,0,0|2,0,0]=4 7055 B10R0.40 C=CC(C)(C)C(=O)CCCC 1458a_100012027013_100000210211 [0,2,0,0,0,0|0,0,2]=4 7056 B10R0.40 CCCCC(=O)C(C)(C)CC 1458a_100000749717_100000210211 [0,2,0,0,0,0|0,0,2]=4 7057 B10R0.40 CCCCC(=O)C(C)(C)OC 1458a_100000753492_100000210211 [0,2,0,0,0,0|1,0,1]=4 7058 B10R0.40 CCCCC(=O)C(C)(O)CC 1458a_100011219770_100000210211 [0,2,0,0,0,0|0,0,2]=4 7059 B10R0.40 CCCCC(=O)C(F)(F)CC 1458a_100000061896_100000210211 [0,2,0,0,0,0|0,0,2]=4 7060 B10R0.46 C/C=C(\C)/C(=O)CC(=O)CC 1458a_100020587367_100000747405 [0,2,0,0,0,0|0,0,1]=3 7061 B10R0.46 C/C=C(\C)/C(=O)CC(=O)NC 1458a_100020587367_100000183359 [0,2,0,0,0,0|1,0,1]=4 7062 B10R0.46 C/C=C(\C)/C(=O)CC(=O)OC 1458a_100020587367_100000747449 [0,2,0,0,0,0|1,0,1]=4 7063 B10R0.46 C/C=C(\C)/C(=O)CC(C)CC 1458a_100020587367_100000748023 [0,2,0,0,0,0|0,0,0]=2 7064 B10R0.46 C/C=C(\C)/C(=O)CC(O)CC 1458a_100020587367_100011218378 [0,2,0,0,0,0|0,0,0]=2 7065 B10R0.46 C/C=C(\C)/C(=O)C[C@@H](C)CC 1458a_100020587367_100009816398 [0,2,0,0,0,0|0,0,0]=2 7066 B10R0.46 C/C=C(\C)/C(=O)C[C@@H](C)CO 1458a_100020587367_100000059175 [0,2,0,0,0,0|1,0,0]=3 7067 B10R0.46 C/C=C(\C)/C(=O)NC(C)CC 11a_100000209981_100020587367 [0,2,0,0,0,0|1,0,0]=3 7068 B10R0.46 C/C=C(\C)/C(=O)NC(C)CC 1626a_100000209981_100020587367 [0,2,0,0,0,0|1,0,0]=3 7069 B10R0.46 C/C=C(\C)/C(=O)N[C@H](C)CF 11a_100102880703_100020587367 [0,2,0,0,0,0|2,0,0]=4 7070 B10R0.46 C/C=C(\C)/C(=O)N[C@H](C)CF 1626a_100102880703_100020587367 [0,2,0,0,0,0|2,0,0]=4 7071 B10R0.46 C=CC(C)C(=O)CC(C)CC 1458a_100011216780_100000748023 [0,2,0,0,0,0|0,0,2]=4 7072 B10R0.46 C=CC(C)C(=O)CC(O)CC 1458a_100011216780_100011218378 [0,2,0,0,0,0|0,0,2]=4 7073 B10R0.46 C=CC(C)C(=O)C[C@@H](C)CC 1458a_100011216780_100009816398 [0,2,0,0,0,0|0,0,2]=4 7074 B10R0.46 CCC(=O)C(=O)NC(C)CC 1458a_200011297154_100000210202 [0,2,0,0,0,0|1,0,1]=4 7075 B10R0.46 CCC(=O)CC(=O)C(=O)NC 1458a_100011218921_100000747405 [0,2,0,0,0,0|1,0,1]=4 7076 B10R0.46 CCC(C)C(=O)C[C@@H](C)CC 1458a_100011192722_100009816398 [0,2,0,0,0,0|0,0,2]=4 7077 B10R0.46 CCC(C)CC(=O)C(=O)NC 1458a_100011218921_100000748023 [0,2,0,0,0,0|1,0,0]=3 7078 B10R0.46 CCC(C)CC(=O)C(C)CC 1458a_100000708755_100000758301 [0,2,0,0,0,0|0,0,2]=4 7079 B10R0.46 CCC(C)CC(=O)C(C)CC 1458a_100011192722_100000748023 [0,2,0,0,0,0|0,0,2]=4 7080 B10R0.46 CCC(C)CC(=O)C(C)OC 1458a_100000743197_100000748023 [0,2,0,0,0,0|1,0,1]=4 7081 B10R0.46 CCC(C)CC(=O)C(C)SC 1458a_100000149566_100000748023 [0,2,0,0,0,0|1,0,1]=4 7082 B10R0.46 CCC(C)CC(=O)C(O)CC 1458a_100011196387_100000748023 [0,2,0,0,0,0|0,0,2]=4 7083 B10R0.46 CCC(C)CC(=O)N(C)CC 11a_100000225621_100000708755 [0,2,0,0,0,0|1,0,1]=4 7084 B10R0.46 CCC(C)CC(=O)N(C)CC 1626a_100000225621_100000708755 [0,2,0,0,0,0|1,0,1]=4 7085 B10R0.46 CCC(C)CC(=O)N(C)CC 240690a_100000225621_100000708755 [0,2,0,0,0,0|1,0,1]=4 7086 B10R0.46 CCC(C)CC(=O)N(C)CC 527a_100000225621_100000708755 [0,2,0,0,0,0|1,0,1]=4 7087 B10R0.46 CCC(C)NC(=O)C(=O)NC 1626a_100000209981_100011218921 [0,2,0,0,0,0|2,0,0]=4 7088 B10R0.46 CCC(C)NC(=O)C(=O)NC 1626a_100102657272_200011297154 [0,2,0,0,0,0|2,0,0]=4 7089 B10R0.46 CCC(C)NC(=O)C(=O)NC 240690a_100000209981_100011218921 [0,2,0,0,0,0|2,0,0]=4 7090 B10R0.46 CCC(C)NC(=O)C(=O)NC 240690a_100102657272_200011297154 [0,2,0,0,0,0|2,0,0]=4 7091 B10R0.46 CCC(C)NC(=O)C(=O)NC 527a_100000209981_100011218921 [0,2,0,0,0,0|2,0,0]=4 7092 B10R0.46 CCC(C)NC(=O)C(=O)NC 527a_100102657272_200011297154 [0,2,0,0,0,0|2,0,0]=4 7093 B10R0.46 CCC(C)NC(=O)C(=O)OC 11a_100000209981_100000024059 [0,2,0,0,0,0|2,0,0]=4 7094 B10R0.46 CCC(C)NC(=O)C(=O)OC 1626a_100000209981_100000024059 [0,2,0,0,0,0|2,0,0]=4 7095 B10R0.46 CCC(C)NC(=O)C(=O)OC 240690a_100000209981_100000024059 [0,2,0,0,0,0|2,0,0]=4 7096 B10R0.46 CCC(C)NC(=O)C(=O)OC 527a_100000209981_100000024059 [0,2,0,0,0,0|2,0,0]=4 7097 B10R0.46 CCC(O)C(=O)C[C@@H](C)CC 1458a_100011196387_100009816398 [0,2,0,0,0,0|0,0,2]=4 7098 B10R0.46 CCC(O)CC(=O)C(=O)NC 1458a_100011218921_100011218378 [0,2,0,0,0,0|1,0,0]=3 7099 B10R0.46 CCC(O)CC(=O)C(C)CC 1458a_100011192722_100011218378 [0,2,0,0,0,0|0,0,2]=4 7100 B10R0.46 CCC(O)CC(=O)C(C)CC 1458a_100011667805_100000758301 [0,2,0,0,0,0|0,0,2]=4 7101 B10R0.46 CCC(O)CC(=O)C(C)OC 1458a_100000743197_100011218378 [0,2,0,0,0,0|1,0,1]=4 7102 B10R0.46 CCC(O)CC(=O)C(C)SC 1458a_100000149566_100011218378 [0,2,0,0,0,0|1,0,1]=4 7103 B10R0.46 CCC(O)CC(=O)C(O)CC 1458a_100011196387_100011218378 [0,2,0,0,0,0|0,0,2]=4 7104 B10R0.46 CCC(O)CC(=O)N(C)CC 1626a_100000225621_100011667805 [0,2,0,0,0,0|1,0,1]=4 7105 B10R0.46 CCC(O)CC(=O)N(C)CC 240690a_100000225621_100011667805 [0,2,0,0,0,0|1,0,1]=4 7106 B10R0.46 CC[C@H](C)CC(=O)C(=O)NC 1458a_100011218921_100009816398 [0,2,0,0,0,0|1,0,0]=3 7107 B10R0.46 CC[C@H](C)CC(=O)C(C)OC 1458a_100000743197_100009816398 [0,2,0,0,0,0|1,0,1]=4 7108 B10R0.46 CC[C@H](C)CC(=O)C(C)SC 1458a_100000149566_100009816398 [0,2,0,0,0,0|1,0,1]=4 7109 B10R0.46 CNC(=O)C(=O)C[C@@H](C)CO 1458a_100011218921_100000059175 [0,2,0,0,0,0|2,0,0]=4 7110 B10R0.57 C/C=C(\C)/C(=O)CC=C(C)C 1458a_100020587367_100000761012 [0,2,0,0,0,0|0,0,2]=4 7111 B10R0.57 C/C=C(\C)/C(=O)CCC(C)C 1458a_100020587367_100000210312 [0,2,0,0,0,0|0,0,0]=2 7112 B10R0.57 C/C=C(\C)/C(=O)CCC(C)O 1458a_100020587367_100012276601 [0,2,0,0,0,0|0,0,0]=2 7113 B10R0.57 C/C=C(\C)/C(=O)NCC(C)C 11a_100000210953_100020587367 [0,2,0,0,0,0|1,0,0]=3 7114 B10R0.57 C/C=C(\C)/C(=O)NCC(C)C 1626a_100000210953_100020587367 [0,2,0,0,0,0|1,0,0]=3 7115 B10R0.57 C/C=C(\C)/C(=O)NCC(C)O 11a_100000210904_100020587367 [0,2,0,0,0,0|1,0,0]=3 7116 B10R0.57 C/C=C(\C)/C(=O)NCC(F)F 11a_100000765723_100020587367 [0,2,0,0,0,0|2,0,0]=4 7117 B10R0.57 C/C=C(\C)/C(=O)NCC(F)F 1626a_100000765723_100020587367 [0,2,0,0,0,0|2,0,0]=4 7118 B10R0.57 C/C=C(\C)/C(=O)NNC(C)C 22a_100000741168_100020587367 [0,2,0,0,0,0|2,0,0]=4 7119 B10R0.57 C=C(C)CCC(=O)/C(=C/C)/C 1458a_100020587367_100000730704 [0,2,0,0,0,0|0,0,1]=3 7120 B10R0.57 C=C(C)CCC(=O)C(=O)NC 1458a_100011218921_100000730704 [0,2,0,0,0,0|1,0,1]=4 7121 B10R0.57 C=C(C)CNC(=O)/C(=C/C)/C 11a_100000765925_100020587367 [0,2,0,0,0,0|1,0,1]=4 7122 B10R0.57 C=C(C)CNC(=O)/C(=C/C)/C 1626a_100000765925_100020587367 [0,2,0,0,0,0|1,0,1]=4 7123 B10R0.57 C=CC(C)C(=O)CCC(C)C 1458a_100011216780_100000210312 [0,2,0,0,0,0|0,0,2]=4 7124 B10R0.57 C=CC(C)C(=O)CCC(C)O 1458a_100011216780_100012276601 [0,2,0,0,0,0|0,0,2]=4 7125 B10R0.57 CCC(=O)C(=O)NCC(C)C 1458a_200011297155_100000210202 [0,2,0,0,0,0|1,0,1]=4 7126 B10R0.57 CCC(C)C(=O)CCC(C)C 1458a_100000181311_100000758301 [0,2,0,0,0,0|0,0,2]=4 7127 B10R0.57 CCC(C)C(=O)CCC(C)C 1458a_100011192722_100000210312 [0,2,0,0,0,0|0,0,2]=4 7128 B10R0.57 CCC(C)C(=O)CCC(C)O 1458a_100011192722_100012276601 [0,2,0,0,0,0|0,0,2]=4 7129 B10R0.57 CCC(O)C(=O)CCC(C)C 1458a_100011196387_100000210312 [0,2,0,0,0,0|0,0,2]=4 7130 B10R0.57 CCC(O)C(=O)CCC(C)O 1458a_100011196387_100012276601 [0,2,0,0,0,0|0,0,2]=4 7131 B10R0.57 CCN(C)C(=O)CCC(C)C 11a_100000225621_100000181311 [0,2,0,0,0,0|1,0,1]=4 7132 B10R0.57 CCN(C)C(=O)CCC(C)C 1626a_100000225621_100000181311 [0,2,0,0,0,0|1,0,1]=4 7133 B10R0.57 CCN(C)C(=O)CCC(C)C 240690a_100000225621_100000181311 [0,2,0,0,0,0|1,0,1]=4 7134 B10R0.57 CCN(C)C(=O)CCC(C)C 527a_100000225621_100000181311 [0,2,0,0,0,0|1,0,1]=4 7135 B10R0.57 CCN(C)C(=O)CCC(C)O 1626a_100000225621_100000718519 [0,2,0,0,0,0|1,0,1]=4 7136 B10R0.57 CNC(=O)C(=O)CCC(C)C 1458a_100011218921_100000210312 [0,2,0,0,0,0|1,0,0]=3 7137 B10R0.57 CNC(=O)C(=O)CCC(C)O 1458a_100011218921_100012276601 [0,2,0,0,0,0|1,0,0]=3 7138 B10R0.57 CNC(=O)C(=O)NCC(C)C 1626a_100000210953_100011218921 [0,2,0,0,0,0|2,0,0]=4 7139 B10R0.57 CNC(=O)C(=O)NCC(C)C 1626a_100102657272_200011297155 [0,2,0,0,0,0|2,0,0]=4 7140 B10R0.57 CNC(=O)C(=O)NCC(C)C 240690a_100000210953_100011218921 [0,2,0,0,0,0|2,0,0]=4 7141 B10R0.57 CNC(=O)C(=O)NCC(C)C 240690a_100102657272_200011297155 [0,2,0,0,0,0|2,0,0]=4 7142 B10R0.57 CNC(=O)C(=O)NCC(C)C 527a_100000210953_100011218921 [0,2,0,0,0,0|2,0,0]=4 7143 B10R0.57 CNC(=O)C(=O)NCC(C)C 527a_100102657272_200011297155 [0,2,0,0,0,0|2,0,0]=4 7144 B10R0.57 CNC(=O)C(=O)NCC(C)O 240690a_100000210904_100011218921 [0,2,0,0,0,0|2,0,0]=4 7145 B10R0.57 CNC(=O)C(=O)NCC(C)O 527a_100000210904_100011218921 [0,2,0,0,0,0|2,0,0]=4 7146 B10R0.57 COC(=O)C(=O)CNC(C)C 34a_100138425928_100011610305 [0,2,0,0,0,0|2,0,0]=4 7147 B10R0.57 COC(=O)C(=O)COC(C)C 34a_100000212225_100011610305 [0,2,0,0,0,0|2,0,0]=4 7148 B10R0.57 COC(=O)C(=O)CSC(C)C 62a_100000210206_100011610305 [0,2,0,0,0,0|2,0,0]=4 7149 B10R0.57 COC(=O)C(=O)CSC(C)C 62a_100011610305_100000210206 [0,2,0,0,0,0|2,0,0]=4 7150 B10R0.57 COC(=O)C(=O)NCC(C)C 11a_100000210953_100000024059 [0,2,0,0,0,0|2,0,0]=4 7151 B10R0.57 COC(=O)C(=O)NCC(C)C 1626a_100000210953_100000024059 [0,2,0,0,0,0|2,0,0]=4 7152 B10R0.57 COC(=O)C(=O)NCC(C)C 240690a_100000210953_100000024059 [0,2,0,0,0,0|2,0,0]=4 7153 B10R0.57 COC(=O)C(=O)NCC(C)C 527a_100000210953_100000024059 [0,2,0,0,0,0|2,0,0]=4 7154 B10R0.57 COC(=O)C(=O)NCC(C)O 11a_100000210904_100000024059 [0,2,0,0,0,0|2,0,0]=4 7155 B10R0.57 COC(=O)C(=O)NCC(C)O 240690a_100000210904_100000024059 [0,2,0,0,0,0|2,0,0]=4 7156 B10R0.57 COC(=O)C(=O)NCC(C)O 527a_100000210904_100000024059 [0,2,0,0,0,0|2,0,0]=4 7157 B10R0.57 COC(C)C(=O)CCC(C)C 1458a_100000743197_100000210312 [0,2,0,0,0,0|1,0,1]=4 7158 B10R0.57 COC(C)C(=O)CCC(C)O 1458a_100000743197_100012276601 [0,2,0,0,0,0|1,0,1]=4 7159 B10R0.57 CSC(C)C(=O)CCC(C)C 1458a_100000149566_100000210312 [0,2,0,0,0,0|1,0,1]=4 7160 B10R0.57 CSC(C)C(=O)CCC(C)O 1458a_100000149566_100012276601 [0,2,0,0,0,0|1,0,1]=4 7161 B10R0.16 C/C=C/CN(CC)CCCC 269982a_100000207695_100102629194 [0,2,0,0,0,0|2,0,0]=4 7162 B10R0.16 CC=CCN(CC)CCCC 2230a_100000207695_100000070051 [0,2,0,0,0,0|2,0,0]=4 7163 B10R0.78 C#CCCC(=O)C=CC(C)C 1458a_100016268746_100000753159 [0,2,0,0,0,0|0,0,2]=4 7164 B10R0.78 C#CCCC(=O)CC=C(C)C 1458a_100000692101_100000761012 [0,2,0,0,0,0|0,0,2]=4 7165 B10R0.78 C#CCCC(=O)CC=C(C)C 1458a_100011220947_100000753159 [0,2,0,0,0,0|0,0,2]=4 7166 B10R0.78 C/C=C/CC(=O)C=CC(C)C 1458a_100016268746_100102629194 [0,2,0,0,0,0|0,0,2]=4 7167 B10R0.78 C/C=C/CC(=O)CC=C(C)C 1458a_100011220947_100102629194 [0,2,0,0,0,0|0,0,2]=4 7168 B10R0.78 C/C=C/CC(=O)CCC(=O)N 1458a_100011215257_100102629194 [0,2,0,0,0,0|1,0,1]=4 7169 B10R0.78 C/C=C/CC(=O)CCC(C)C 1458a_100000181311_100102629194 [0,2,0,0,0,0|0,0,0]=2 7170 B10R0.78 C/C=C/CC(=O)CC[N+](=O)[O-] 1458a_200000064761_100102629194 [0,2,0,0,0,0|2,0,0]=4 7171 B10R0.78 C/C=C/CC(=O)CC[S+](C)C 1458a_100009452791_100102629194 [0,2,0,0,0,0|1,0,0]=3 7172 B10R0.78 C/C=C/CC(=O)CNC(=O)C 1458a_100000194580_100102629194 [0,2,0,0,0,0|1,0,1]=4 7173 B10R0.78 C/C=C/CC(=O)COC(=O)C 1458a_100000183556_100102629194 [0,2,0,0,0,0|1,0,1]=4 7174 B10R0.78 C/C=C/CC(=O)COC(C)C 1458a_100000745533_100102629194 [0,2,0,0,0,0|1,0,0]=3 7175 B10R0.78 C/C=C/CC(=O)COC(F)F 1458a_200000719455_100102629194 [0,2,0,0,0,0|2,0,0]=4 7176 B10R0.78 C/C=C/CC(=O)CSC(=O)C 1458a_100000049016_100102629194 [0,2,0,0,0,0|1,0,1]=4 7177 B10R0.78 C/C=C/CC(=O)CSC(C)C 1458a_100000241585_100102629194 [0,2,0,0,0,0|1,0,0]=3 7178 B10R0.78 C/C=C/CC(=O)CSC(F)F 1458a_114828291038_100102629194 [0,2,0,0,0,0|2,0,0]=4 7179 B10R0.78 C/C=C/CN(C)CCC(C)C 269982a_100000742789_100102629194 [0,2,0,0,0,0|2,0,0]=4 7180 B10R0.78 C=C(C)CCC(=O)C/C=C/C 1458a_200000688413_100102629194 [0,2,0,0,0,0|0,0,1]=3 7181 B10R0.78 C=C(C)CCC(=O)C=CCC 1458a_100000212282_100000730704 [0,2,0,0,0,0|0,0,1]=3 7182 B10R0.78 C=C(C)CCC(=O)C=COC 1458a_100016268678_100000730704 [0,2,0,0,0,0|0,0,1]=3 7183 B10R0.78 C=C(C)CCC(=O)CC=CC 1458a_100121576822_100000730704 [0,2,0,0,0,0|0,0,1]=3 7184 B10R0.78 C=C(C)CCC(=O)CC=CC 1458a_200000688413_100000070051 [0,2,0,0,0,0|0,0,1]=3 7185 B10R0.78 C=C(C)CCC(=O)CCCC 1458a_100000210183_100000730704 [0,2,0,0,0,0|0,0,1]=3 7186 B10R0.78 C=C(C)CCC(=O)CCCC 1458a_200000688413_100000210211 [0,2,0,0,0,0|0,0,1]=3 7187 B10R0.78 C=C(C)CCC(=O)CCCF 1458a_200000688413_100011934791 [0,2,0,0,0,0|1,0,1]=4 7188 B10R0.78 C=C(C)CCC(=O)CCCO 1458a_200000688413_100011215043 [0,2,0,0,0,0|1,0,1]=4 7189 B10R0.78 C=C(C)CCC(=O)CCOC 1458a_100000749529_100000730704 [0,2,0,0,0,0|1,0,1]=4 7190 B10R0.78 C=C(C)CCC(=O)CCOC 1458a_200000688413_100000233755 [0,2,0,0,0,0|1,0,1]=4 7191 B10R0.78 C=C(C)CCC(=O)CCSC 1458a_100000174002_100000730704 [0,2,0,0,0,0|1,0,1]=4 7192 B10R0.78 C=C(C)CCC(=O)CCSC 1458a_200000688413_100000751147 [0,2,0,0,0,0|1,0,1]=4 7193 B10R0.78 C=C(C)CCC(=O)COCC 1458a_100000211967_100000730704 [0,2,0,0,0,0|1,0,1]=4 7194 B10R0.78 C=C(C)CCC(=O)CSCC 1458a_100000230394_100000730704 [0,2,0,0,0,0|1,0,1]=4 7195 B10R0.78 C=C(C)CCC(=O)NCCC 11a_100020643023_200000688413 [0,2,0,0,0,0|1,0,1]=4 7196 B10R0.78 C=C(C)CCC(=O)NCCC 1626a_100020643023_200000688413 [0,2,0,0,0,0|1,0,1]=4 7197 B10R0.78 C=C(C)CCC(=O)NCCC 240690a_100020643023_200000688413 [0,2,0,0,0,0|1,0,1]=4 7198 B10R0.78 C=C(C)CCC(=O)NCCC 527a_100020643023_200000688413 [0,2,0,0,0,0|1,0,1]=4 7199 B10R0.78 C=C(C)CNC(=O)C=CCC 11a_100000765925_100000212282 [0,2,0,0,0,0|1,0,1]=4 7200 B10R0.78 C=C(C)CNC(=O)C=CCC 1626a_100000765925_100000212282 [0,2,0,0,0,0|1,0,1]=4 7201 B10R0.78 C=C(C)CNC(=O)C=CCC 240690a_100000765925_100000212282 [0,2,0,0,0,0|1,0,1]=4 7202 B10R0.78 C=C(C)CNC(=O)C=COC 1626a_100000765925_100016268678 [0,2,0,0,0,0|1,0,1]=4 7203 B10R0.78 C=C(C)CNC(=O)C=COC 240690a_100000765925_100016268678 [0,2,0,0,0,0|1,0,1]=4 7204 B10R0.78 C=C(C)CNC(=O)CC=CC 11a_100000765925_100121576822 [0,2,0,0,0,0|1,0,1]=4 7205 B10R0.78 C=C(C)CNC(=O)CC=CC 1626a_100000765925_100121576822 [0,2,0,0,0,0|1,0,1]=4 7206 B10R0.78 C=C(C)CNC(=O)CC=CC 240690a_100000765925_100121576822 [0,2,0,0,0,0|1,0,1]=4 7207 B10R0.78 C=C(C)CNC(=O)CC=CC 527a_100000765925_100121576822 [0,2,0,0,0,0|1,0,1]=4 7208 B10R0.78 C=C(C)CNC(=O)CCCC 11a_100000765925_100000210183 [0,2,0,0,0,0|0,0,1]=3 7209 B10R0.78 C=C(C)CNC(=O)CCCC 1626a_100000765925_100000210183 [0,2,0,0,0,0|0,0,1]=3 7210 B10R0.78 C=C(C)CNC(=O)CCCC 240690a_100000765925_100000210183 [0,2,0,0,0,0|0,0,1]=3 7211 B10R0.78 C=C(C)CNC(=O)CCCC 527a_100000765925_100000210183 [0,2,0,0,0,0|0,0,1]=3 7212 B10R0.78 C=C(C)CNC(=O)CCOC 11a_100000765925_100000749529 [0,2,0,0,0,0|1,0,1]=4 7213 B10R0.78 C=C(C)CNC(=O)CCOC 1626a_100000765925_100000749529 [0,2,0,0,0,0|1,0,1]=4 7214 B10R0.78 C=C(C)CNC(=O)CCOC 240690a_100000765925_100000749529 [0,2,0,0,0,0|1,0,1]=4 7215 B10R0.78 C=C(C)CNC(=O)CCOC 527a_100000765925_100000749529 [0,2,0,0,0,0|1,0,1]=4 7216 B10R0.78 C=C(C)CNC(=O)CCSC 11a_100000765925_100000174002 [0,2,0,0,0,0|1,0,1]=4 7217 B10R0.78 C=C(C)CNC(=O)CCSC 1626a_100000765925_100000174002 [0,2,0,0,0,0|1,0,1]=4 7218 B10R0.78 C=C(C)CNC(=O)CCSC 240690a_100000765925_100000174002 [0,2,0,0,0,0|1,0,1]=4 7219 B10R0.78 C=C(C)CNC(=O)CCSC 527a_100000765925_100000174002 [0,2,0,0,0,0|1,0,1]=4 7220 B10R0.78 C=C(C)CNC(=O)COCC 11a_100000765925_100000211967 [0,2,0,0,0,0|1,0,1]=4 7221 B10R0.78 C=C(C)CNC(=O)COCC 1626a_100000765925_100000211967 [0,2,0,0,0,0|1,0,1]=4 7222 B10R0.78 C=C(C)CNC(=O)COCC 240690a_100000765925_100000211967 [0,2,0,0,0,0|1,0,1]=4 7223 B10R0.78 C=C(C)CNC(=O)COCC 527a_100000765925_100000211967 [0,2,0,0,0,0|1,0,1]=4 7224 B10R0.78 C=C(C)CNC(=O)CSCC 11a_100000765925_100000230394 [0,2,0,0,0,0|1,0,1]=4 7225 B10R0.78 C=C(C)CNC(=O)CSCC 1626a_100000765925_100000230394 [0,2,0,0,0,0|1,0,1]=4 7226 B10R0.78 C=C(C)CNC(=O)CSCC 240690a_100000765925_100000230394 [0,2,0,0,0,0|1,0,1]=4 7227 B10R0.78 C=C(C)CNC(=O)CSCC 527a_100000765925_100000230394 [0,2,0,0,0,0|1,0,1]=4 7228 B10R0.78 C=C(C)CNC(=O)NCCC 2708a_100000765925_100020643023 [0,2,0,0,0,0|1,0,1]=4 7229 B10R0.78 C=C(C)CNC(=O)NCCC 2708a_100020643023_100000765925 [0,2,0,0,0,0|1,0,1]=4 7230 B10R0.78 C=C(C)CNC(=O)NCCC 273464a_100000765925_100020643023 [0,2,0,0,0,0|1,0,1]=4 7231 B10R0.78 C=C(C)CNC(=O)NCCC 273464a_100020643023_100000765925 [0,2,0,0,0,0|1,0,1]=4 7232 B10R0.78 C=C(C)CNC(=O)NCCC 512a_100000765925_100020643023 [0,2,0,0,0,0|1,0,1]=4 7233 B10R0.78 C=C(C)CNC(=O)NCCC 512a_100020643023_100000765925 [0,2,0,0,0,0|1,0,1]=4 7234 B10R0.78 C=CC=CC(=O)CCC(=C)C 1458a_100016291481_100000730704 [0,2,0,0,0,0|0,0,2]=4 7235 B10R0.78 C=CC=CC(=O)CCC(C)C 1458a_100016291481_100000210312 [0,2,0,0,0,0|0,0,1]=3 7236 B10R0.78 C=CC=CC(=O)CCC(C)O 1458a_100016291481_100012276601 [0,2,0,0,0,0|0,0,1]=3 7237 B10R0.78 C=CC=CC(=O)NCC(C)C 1626a_100000210953_100016291481 [0,2,0,0,0,0|1,0,1]=4 7238 B10R0.78 C=CCCC(=O)C=CC(C)C 1458a_100016268746_100000754431 [0,2,0,0,0,0|0,0,2]=4 7239 B10R0.78 C=CCCC(=O)CC=C(C)C 1458a_100000749702_100000761012 [0,2,0,0,0,0|0,0,2]=4 7240 B10R0.78 C=CCCC(=O)CC=C(C)C 1458a_100011220947_100000754431 [0,2,0,0,0,0|0,0,2]=4 7241 B10R0.78 C=CCCC(=O)CCC(C)C 1458a_100000181311_100000754431 [0,2,0,0,0,0|0,0,2]=4 7242 B10R0.78 C=CCCC(=O)CCC(C)C 1458a_100000749702_100000210312 [0,2,0,0,0,0|0,0,2]=4 7243 B10R0.78 C=CCCC(=O)CCC(C)O 1458a_100000749702_100012276601 [0,2,0,0,0,0|0,0,2]=4 7244 B10R0.78 C=CCNC(=O)CCC(C)C 1626a_100020586998_100000181311 [0,2,0,0,0,0|0,0,2]=4 7245 B10R0.78 C=CCNC(=O)CCC(C)C 240690a_100020586998_100000181311 [0,2,0,0,0,0|0,0,2]=4 7246 B10R0.78 C=CCNC(=O)CCC(C)C 527a_100020586998_100000181311 [0,2,0,0,0,0|0,0,2]=4 7247 B10R0.78 C=CCNC(=O)CCC(C)O 1626a_100020586998_100000718519 [0,2,0,0,0,0|0,0,2]=4 7248 B10R0.78 CC#CCC(=O)C=CC(C)C 1458a_100016268746_100000748600 [0,2,0,0,0,0|0,0,2]=4 7249 B10R0.78 CC#CCC(=O)CC=C(C)C 1458a_100011220947_100000748600 [0,2,0,0,0,0|0,0,2]=4 7250 B10R0.78 CC#CCC(=O)CCC(C)C 1458a_100000181311_100000748600 [0,2,0,0,0,0|0,0,2]=4 7251 B10R0.78 CC(=CCC(=O)CCC#N)C 1458a_100011220947_100011215226 [0,2,0,0,0,0|1,0,1]=4 7252 B10R0.78 CC(=CCC(=O)CCC#N)C 1458a_100011934036_100000761012 [0,2,0,0,0,0|1,0,1]=4 7253 B10R0.78 CC(=CCC(=O)CCCF)C 1458a_100011220947_100011934791 [0,2,0,0,0,0|1,0,0]=3 7254 B10R0.78 CC(=CCC(=O)CCCO)C 1458a_100011220947_100011215043 [0,2,0,0,0,0|1,0,0]=3 7255 B10R0.78 CC(=CCC(=O)NCCF)C 11a_100000724931_100011220947 [0,2,0,0,0,0|2,0,0]=4 7256 B10R0.78 CC(=CCC(=O)NCCF)C 1626a_100000724931_100011220947 [0,2,0,0,0,0|2,0,0]=4 7257 B10R0.78 CC(=CCC(=O)NCCF)C 240690a_100000724931_100011220947 [0,2,0,0,0,0|2,0,0]=4 7258 B10R0.78 CC(=CCC(=O)NCCF)C 527a_100000724931_100011220947 [0,2,0,0,0,0|2,0,0]=4 7259 B10R0.78 CC(=CCC(=O)NCCO)C 240690a_100000210304_100011220947 [0,2,0,0,0,0|2,0,0]=4 7260 B10R0.78 CC(=CCC(=O)NCCO)C 527a_100000210304_100011220947 [0,2,0,0,0,0|2,0,0]=4 7261 B10R0.78 CC(=O)NCC(=O)CCCF 1458a_100000194580_100011934791 [0,2,0,0,0,0|1,0,1]=4 7262 B10R0.78 CC(=O)NCC(=O)CCCO 1458a_100000194580_100011215043 [0,2,0,0,0,0|1,0,1]=4 7263 B10R0.78 CC(=O)OCC(=O)CCCF 1458a_100000183556_100011934791 [0,2,0,0,0,0|1,0,1]=4 7264 B10R0.78 CC(=O)OCC(=O)CCCO 1458a_100000183556_100011215043 [0,2,0,0,0,0|1,0,1]=4 7265 B10R0.78 CC(=O)SCC(=O)CCCF 1458a_100000049016_100011934791 [0,2,0,0,0,0|1,0,1]=4 7266 B10R0.78 CC(=O)SCC(=O)CCCO 1458a_100000049016_100011215043 [0,2,0,0,0,0|1,0,1]=4 7267 B10R0.78 CC(C)C=CC(=O)CCC#N 1458a_100016268746_100011215226 [0,2,0,0,0,0|1,0,1]=4 7268 B10R0.78 CC(C)C=CC(=O)CCCF 1458a_100016268746_100011934791 [0,2,0,0,0,0|1,0,0]=3 7269 B10R0.78 CC(C)C=CC(=O)CCCO 1458a_100016268746_100011215043 [0,2,0,0,0,0|1,0,0]=3 7270 B10R0.78 CC(C)C=CC(=O)NCCF 11a_100000724931_100016268746 [0,2,0,0,0,0|2,0,0]=4 7271 B10R0.78 CC(C)C=CC(=O)NCCF 1626a_100000724931_100016268746 [0,2,0,0,0,0|2,0,0]=4 7272 B10R0.78 CC(C)C=CC(=O)NCCF 240690a_100000724931_100016268746 [0,2,0,0,0,0|2,0,0]=4 7273 B10R0.78 CC(C)C=CC(=O)NCCO 240690a_100000210304_100016268746 [0,2,0,0,0,0|2,0,0]=4 7274 B10R0.78 CC(C)CCC(=O)C#CCO 1458a_100000049017_100000210312 [0,2,0,0,0,0|0,0,2]=4 7275 B10R0.78 CC(C)CCC(=O)CCCF 1458a_100000181311_100011934791 [0,2,0,0,0,0|0,0,2]=4 7276 B10R0.78 CC(C)CCC(=O)CCCO 1458a_100000181311_100011215043 [0,2,0,0,0,0|0,0,2]=4 7277 B10R0.78 CC(C)CCC(=O)NCCF 11a_100000724931_100000181311 [0,2,0,0,0,0|1,0,1]=4 7278 B10R0.78 CC(C)CCC(=O)NCCF 1626a_100000724931_100000181311 [0,2,0,0,0,0|1,0,1]=4 7279 B10R0.78 CC(C)CCC(=O)NCCF 240690a_100000724931_100000181311 [0,2,0,0,0,0|1,0,1]=4 7280 B10R0.78 CC(C)CCC(=O)NCCF 527a_100000724931_100000181311 [0,2,0,0,0,0|1,0,1]=4 7281 B10R0.78 CC(C)CCC(=O)NCCO 240690a_100000210304_100000181311 [0,2,0,0,0,0|1,0,1]=4 7282 B10R0.78 CC(C)CCC(=O)NCCO 527a_100000210304_100000181311 [0,2,0,0,0,0|1,0,1]=4 7283 B10R0.78 CC(O)CCC(=O)C#CCO 1458a_100000049017_100012276601 [0,2,0,0,0,0|0,0,2]=4 7284 B10R0.78 CC(O)CCC(=O)NCCF 1626a_100000724931_100000718519 [0,2,0,0,0,0|1,0,1]=4 7285 B10R0.78 CC=CCC(=O)C=CC(C)C 1458a_100016268746_100000070051 [0,2,0,0,0,0|0,0,2]=4 7286 B10R0.78 CC=CCC(=O)CC=C(C)C 1458a_100011220947_100000070051 [0,2,0,0,0,0|0,0,2]=4 7287 B10R0.78 CC=CCC(=O)CC=C(C)C 1458a_100121576822_100000761012 [0,2,0,0,0,0|0,0,2]=4 7288 B10R0.78 CC=CCC(=O)CCC(=O)N 1458a_100011215257_100000070051 [0,2,0,0,0,0|1,0,1]=4 7289 B10R0.78 CC=CCC(=O)CCC(C)C 1458a_100000181311_100000070051 [0,2,0,0,0,0|0,0,0]=2 7290 B10R0.78 CC=CCC(=O)CCC(C)C 1458a_100121576822_100000210312 [0,2,0,0,0,0|0,0,0]=2 7291 B10R0.78 CC=CCC(=O)CCC(C)O 1458a_100121576822_100012276601 [0,2,0,0,0,0|0,0,0]=2 7292 B10R0.78 CC=CCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000070051 [0,2,0,0,0,0|2,0,0]=4 7293 B10R0.78 CC=CCC(=O)CC[S+](C)C 1458a_100009452791_100000070051 [0,2,0,0,0,0|1,0,0]=3 7294 B10R0.78 CC=CCC(=O)CNC(=O)C 1458a_100000194580_100000070051 [0,2,0,0,0,0|1,0,1]=4 7295 B10R0.78 CC=CCC(=O)COC(=O)C 1458a_100000183556_100000070051 [0,2,0,0,0,0|1,0,1]=4 7296 B10R0.78 CC=CCC(=O)COC(C)C 1458a_100000745533_100000070051 [0,2,0,0,0,0|1,0,0]=3 7297 B10R0.78 CC=CCC(=O)COC(F)F 1458a_200000719455_100000070051 [0,2,0,0,0,0|2,0,0]=4 7298 B10R0.78 CC=CCC(=O)CSC(=O)C 1458a_100000049016_100000070051 [0,2,0,0,0,0|1,0,1]=4 7299 B10R0.78 CC=CCC(=O)CSC(C)C 1458a_100000241585_100000070051 [0,2,0,0,0,0|1,0,0]=3 7300 B10R0.78 CC=CCC(=O)CSC(F)F 1458a_114828291038_100000070051 [0,2,0,0,0,0|2,0,0]=4 7301 B10R0.78 CC=CCC(=O)NCC(C)C 11a_100000210953_100121576822 [0,2,0,0,0,0|1,0,0]=3 7302 B10R0.78 CC=CCC(=O)NCC(C)C 1626a_100000210953_100121576822 [0,2,0,0,0,0|1,0,0]=3 7303 B10R0.78 CC=CCC(=O)NCC(C)C 240690a_100000210953_100121576822 [0,2,0,0,0,0|1,0,0]=3 7304 B10R0.78 CC=CCC(=O)NCC(C)C 527a_100000210953_100121576822 [0,2,0,0,0,0|1,0,0]=3 7305 B10R0.78 CC=CCC(=O)NCC(C)O 11a_100000210904_100121576822 [0,2,0,0,0,0|1,0,0]=3 7306 B10R0.78 CC=CCC(=O)NCC(C)O 240690a_100000210904_100121576822 [0,2,0,0,0,0|1,0,0]=3 7307 B10R0.78 CC=CCC(=O)NCC(C)O 527a_100000210904_100121576822 [0,2,0,0,0,0|1,0,0]=3 7308 B10R0.78 CC=CCC(=O)NCC(F)F 11a_100000765723_100121576822 [0,2,0,0,0,0|2,0,0]=4 7309 B10R0.78 CC=CCC(=O)NCC(F)F 1626a_100000765723_100121576822 [0,2,0,0,0,0|2,0,0]=4 7310 B10R0.78 CC=CCC(=O)NCC(F)F 240690a_100000765723_100121576822 [0,2,0,0,0,0|2,0,0]=4 7311 B10R0.78 CC=CCC(=O)NCC(F)F 527a_100000765723_100121576822 [0,2,0,0,0,0|2,0,0]=4 7312 B10R0.78 CC=CCC(=O)NNC(C)C 22a_100000741168_100121576822 [0,2,0,0,0,0|2,0,0]=4 7313 B10R0.78 CC=CCN(C)CCC(C)C 2230a_100000742789_100000070051 [0,2,0,0,0,0|2,0,0]=4 7314 B10R0.78 CCC#CC(=O)CC=C(C)C 1458a_100011827653_100000761012 [0,2,0,0,0,0|0,0,2]=4 7315 B10R0.78 CCC#CC(=O)CCC(C)C 1458a_100011827653_100000210312 [0,2,0,0,0,0|0,0,2]=4 7316 B10R0.78 CCC#CC(=O)CCC(C)O 1458a_100011827653_100012276601 [0,2,0,0,0,0|0,0,2]=4 7317 B10R0.78 CCC=CC(=O)CC=C(C)C 1458a_100000212282_100000761012 [0,2,0,0,0,0|0,0,2]=4 7318 B10R0.78 CCC=CC(=O)CCC(C)C 1458a_100000212282_100000210312 [0,2,0,0,0,0|0,0,0]=2 7319 B10R0.78 CCC=CC(=O)CCC(C)O 1458a_100000212282_100012276601 [0,2,0,0,0,0|0,0,0]=2 7320 B10R0.78 CCC=CC(=O)NCC(C)C 11a_100000210953_100000212282 [0,2,0,0,0,0|1,0,0]=3 7321 B10R0.78 CCC=CC(=O)NCC(C)C 1626a_100000210953_100000212282 [0,2,0,0,0,0|1,0,0]=3 7322 B10R0.78 CCC=CC(=O)NCC(C)C 240690a_100000210953_100000212282 [0,2,0,0,0,0|1,0,0]=3 7323 B10R0.78 CCC=CC(=O)NCC(C)O 11a_100000210904_100000212282 [0,2,0,0,0,0|1,0,0]=3 7324 B10R0.78 CCC=CC(=O)NCC(C)O 240690a_100000210904_100000212282 [0,2,0,0,0,0|1,0,0]=3 7325 B10R0.78 CCC=CC(=O)NCC(F)F 11a_100000765723_100000212282 [0,2,0,0,0,0|2,0,0]=4 7326 B10R0.78 CCC=CC(=O)NCC(F)F 1626a_100000765723_100000212282 [0,2,0,0,0,0|2,0,0]=4 7327 B10R0.78 CCC=CC(=O)NCC(F)F 240690a_100000765723_100000212282 [0,2,0,0,0,0|2,0,0]=4 7328 B10R0.78 CCC=CC(=O)NNC(C)C 22a_100000741168_100000212282 [0,2,0,0,0,0|2,0,0]=4 7329 B10R0.78 CCCCC(=NNC(=O)C)C 4a_100000189765_100000210087 [0,2,0,0,0,0|2,0,0]=4 7330 B10R0.78 CCCCC(=O)C=CC(C)C 1458a_100016268746_100000210211 [0,2,0,0,0,0|0,0,0]=2 7331 B10R0.78 CCCCC(=O)CC=C(C)C 1458a_100000210183_100000761012 [0,2,0,0,0,0|0,0,0]=2 7332 B10R0.78 CCCCC(=O)CC=C(C)C 1458a_100011220947_100000210211 [0,2,0,0,0,0|0,0,0]=2 7333 B10R0.78 CCCCC(=O)CCC(=O)N 1458a_100011215257_100000210211 [0,2,0,0,0,0|1,0,1]=4 7334 B10R0.78 CCCCC(=O)CCC(C)C 1458a_100000181311_100000210211 [0,2,0,0,0,0|0,0,2]=4 7335 B10R0.78 CCCCC(=O)CCC(C)C 1458a_100000210183_100000210312 [0,2,0,0,0,0|0,0,2]=4 7336 B10R0.78 CCCCC(=O)CCC(C)O 1458a_100000210183_100012276601 [0,2,0,0,0,0|0,0,2]=4 7337 B10R0.78 CCCCC(=O)CC[S+](C)C 1458a_100009452791_100000210211 [0,2,0,0,0,0|0,0,2]=4 7338 B10R0.78 CCCCC(=O)CNC(=O)C 1458a_100000194580_100000210211 [0,2,0,0,0,0|0,0,1]=3 7339 B10R0.78 CCCCC(=O)CNC(=O)N 1458a_100000184981_100000210211 [0,2,0,0,0,0|1,0,1]=4 7340 B10R0.78 CCCCC(=O)COC(=O)C 1458a_100000183556_100000210211 [0,2,0,0,0,0|0,0,1]=3 7341 B10R0.78 CCCCC(=O)COC(C)C 1458a_100000745533_100000210211 [0,2,0,0,0,0|0,0,2]=4 7342 B10R0.78 CCCCC(=O)COC(F)F 1458a_200000719455_100000210211 [0,2,0,0,0,0|1,0,1]=4 7343 B10R0.78 CCCCC(=O)CSC(=O)C 1458a_100000049016_100000210211 [0,2,0,0,0,0|0,0,1]=3 7344 B10R0.78 CCCCC(=O)CSC(C)C 1458a_100000241585_100000210211 [0,2,0,0,0,0|0,0,2]=4 7345 B10R0.78 CCCCC(=O)CSC(F)F 1458a_114828291038_100000210211 [0,2,0,0,0,0|1,0,1]=4 7346 B10R0.78 CCCCC(=O)NCC(=O)N 11a_100000711301_100000210183 [0,2,0,0,0,0|1,0,1]=4 7347 B10R0.78 CCCCC(=O)NCC(=O)N 240690a_100000711301_100000210183 [0,2,0,0,0,0|1,0,1]=4 7348 B10R0.78 CCCCC(=O)NCC(=O)N 527a_100000711301_100000210183 [0,2,0,0,0,0|1,0,1]=4 7349 B10R0.78 CCCCC(=O)NCC(C)C 11a_100000210953_100000210183 [0,2,0,0,0,0|0,0,2]=4 7350 B10R0.78 CCCCC(=O)NCC(C)C 1626a_100000210953_100000210183 [0,2,0,0,0,0|0,0,2]=4 7351 B10R0.78 CCCCC(=O)NCC(C)C 240690a_100000210953_100000210183 [0,2,0,0,0,0|0,0,2]=4 7352 B10R0.78 CCCCC(=O)NCC(C)C 527a_100000210953_100000210183 [0,2,0,0,0,0|0,0,2]=4 7353 B10R0.78 CCCCC(=O)NCC(C)O 11a_100000210904_100000210183 [0,2,0,0,0,0|0,0,2]=4 7354 B10R0.78 CCCCC(=O)NCC(C)O 240690a_100000210904_100000210183 [0,2,0,0,0,0|0,0,2]=4 7355 B10R0.78 CCCCC(=O)NCC(C)O 527a_100000210904_100000210183 [0,2,0,0,0,0|0,0,2]=4 7356 B10R0.78 CCCCC(=O)NCC(F)F 11a_100000765723_100000210183 [0,2,0,0,0,0|1,0,1]=4 7357 B10R0.78 CCCCC(=O)NCC(F)F 1626a_100000765723_100000210183 [0,2,0,0,0,0|1,0,1]=4 7358 B10R0.78 CCCCC(=O)NCC(F)F 240690a_100000765723_100000210183 [0,2,0,0,0,0|1,0,1]=4 7359 B10R0.78 CCCCC(=O)NCC(F)F 527a_100000765723_100000210183 [0,2,0,0,0,0|1,0,1]=4 7360 B10R0.78 CCCCC(=O)NNC(=O)C 22a_100000189765_100000210183 [0,2,0,0,0,0|1,0,0]=3 7361 B10R0.78 CCCCC(=O)NNC(=O)C 22a_100000189769_100000070787 [0,2,0,0,0,0|1,0,0]=3 7362 B10R0.78 CCCCC(=O)NNC(C)C 22a_100000741168_100000210183 [0,2,0,0,0,0|1,0,1]=4 7363 B10R0.78 CCCCN(C)CC=C(C)C 2230a_100000207549_100000761012 [0,2,0,0,0,0|2,0,0]=4 7364 B10R0.78 CCCCN(C)CC=C(C)C 269982a_100000207549_100000761012 [0,2,0,0,0,0|2,0,0]=4 7365 B10R0.78 CCCNC(=O)C=CC(C)C 11a_100020643023_100016268746 [0,2,0,0,0,0|1,0,0]=3 7366 B10R0.78 CCCNC(=O)C=CC(C)C 1626a_100020643023_100016268746 [0,2,0,0,0,0|1,0,0]=3 7367 B10R0.78 CCCNC(=O)C=CC(C)C 240690a_100020643023_100016268746 [0,2,0,0,0,0|1,0,0]=3 7368 B10R0.78 CCCNC(=O)CC=C(C)C 11a_100020643023_100011220947 [0,2,0,0,0,0|1,0,0]=3 7369 B10R0.78 CCCNC(=O)CC=C(C)C 1626a_100020643023_100011220947 [0,2,0,0,0,0|1,0,0]=3 7370 B10R0.78 CCCNC(=O)CC=C(C)C 240690a_100020643023_100011220947 [0,2,0,0,0,0|1,0,0]=3 7371 B10R0.78 CCCNC(=O)CC=C(C)C 527a_100020643023_100011220947 [0,2,0,0,0,0|1,0,0]=3 7372 B10R0.78 CCCNC(=O)CCC(=O)C 1458a_100000199543_200000210301 [0,2,0,0,0,0|1,0,1]=4 7373 B10R0.78 CCCNC(=O)CCC(=O)[13CH3] 1458a_100000199543_200025704644 [0,2,0,0,0,0|1,0,1]=4 7374 B10R0.78 CCCNC(=O)CCC(C)C 11a_100020643023_100000181311 [0,2,0,0,0,0|0,0,2]=4 7375 B10R0.78 CCCNC(=O)CCC(C)C 1626a_100020643023_100000181311 [0,2,0,0,0,0|0,0,2]=4 7376 B10R0.78 CCCNC(=O)CCC(C)C 240690a_100020643023_100000181311 [0,2,0,0,0,0|0,0,2]=4 7377 B10R0.78 CCCNC(=O)CCC(C)C 527a_100020643023_100000181311 [0,2,0,0,0,0|0,0,2]=4 7378 B10R0.78 CCCNC(=O)CCC(C)O 1626a_100020643023_100000718519 [0,2,0,0,0,0|0,0,2]=4 7379 B10R0.78 CCCNC(=O)CNC(=O)C 11a_100000174927_100015343762 [0,2,0,0,0,0|1,0,1]=4 7380 B10R0.78 CCCNC(=O)CNC(=O)C 11a_100020643023_100000194580 [0,2,0,0,0,0|1,0,1]=4 7381 B10R0.78 CCCNC(=O)CNC(=O)C 1626a_100000174927_100015343762 [0,2,0,0,0,0|1,0,1]=4 7382 B10R0.78 CCCNC(=O)CNC(=O)C 1626a_100020643023_100000194580 [0,2,0,0,0,0|1,0,1]=4 7383 B10R0.78 CCCNC(=O)CNC(=O)C 240690a_100000174927_100015343762 [0,2,0,0,0,0|1,0,1]=4 7384 B10R0.78 CCCNC(=O)CNC(=O)C 240690a_100020643023_100000194580 [0,2,0,0,0,0|1,0,1]=4 7385 B10R0.78 CCCNC(=O)CNC(=O)C 527a_100000174927_100103153847 [0,2,0,0,0,0|1,0,1]=4 7386 B10R0.78 CCCNC(=O)CNC(=O)C 527a_100020643023_100000194580 [0,2,0,0,0,0|1,0,1]=4 7387 B10R0.78 CCCNC(=O)COC(=O)C 1626a_100020643023_100000183556 [0,2,0,0,0,0|1,0,1]=4 7388 B10R0.78 CCCNC(=O)COC(=O)C 240690a_100020643023_100000183556 [0,2,0,0,0,0|1,0,1]=4 7389 B10R0.78 CCCNC(=O)COC(=O)C 527a_100020643023_100000183556 [0,2,0,0,0,0|1,0,1]=4 7390 B10R0.78 CCCNC(=O)CSC(=O)C 11a_100020643023_100000049016 [0,2,0,0,0,0|1,0,1]=4 7391 B10R0.78 CCCNC(=O)CSC(=O)C 1626a_100020643023_100000049016 [0,2,0,0,0,0|1,0,1]=4 7392 B10R0.78 CCCNC(=O)CSC(=O)C 240690a_100020643023_100000049016 [0,2,0,0,0,0|1,0,1]=4 7393 B10R0.78 CCCNC(=O)NNC(=O)C 273464a_100020643023_100000189765 [0,2,0,0,0,0|2,0,0]=4 7394 B10R0.78 CCCNC(=O)NNC(=O)C 512a_100000189765_100020643023 [0,2,0,0,0,0|2,0,0]=4 7395 B10R0.78 CCCOC(=O)OCC(=O)C 1458a_100000070787_200000139673 [0,2,0,0,0,0|1,0,1]=4 7396 B10R0.78 CCNCC(=O)NNC(=O)C 2230a_100015525214_100000181415 [0,2,0,0,0,0|2,0,0]=4 7397 B10R0.78 CCNNC(=O)C=CC(C)C 22a_100000756455_100016268746 [0,2,0,0,0,0|2,0,0]=4 7398 B10R0.78 CCNNC(=O)CC=C(C)C 22a_100000756455_100011220947 [0,2,0,0,0,0|2,0,0]=4 7399 B10R0.78 CCNNC(=O)CCC(C)C 22a_100000756455_100000181311 [0,2,0,0,0,0|1,0,1]=4 7400 B10R0.78 CCOCC(=O)CC=C(C)C 1458a_100000211967_100000761012 [0,2,0,0,0,0|1,0,0]=3 7401 B10R0.78 CCOCC(=O)CCC(C)C 1458a_100000211967_100000210312 [0,2,0,0,0,0|0,0,2]=4 7402 B10R0.78 CCOCC(=O)CCC(C)O 1458a_100000211967_100012276601 [0,2,0,0,0,0|0,0,2]=4 7403 B10R0.78 CCOCC(=O)COC(=O)C 34a_100121572206_100000036994 [0,2,0,0,0,0|1,0,1]=4 7404 B10R0.78 CCOCC(=O)NNC(=O)C 22a_100000189765_100000211967 [0,2,0,0,0,0|2,0,0]=4 7405 B10R0.78 CCOCC(=O)NNC(=O)C 22a_100000216846_100000070787 [0,2,0,0,0,0|2,0,0]=4 7406 B10R0.78 CCSCC(=O)CC=C(C)C 1458a_100000230394_100000761012 [0,2,0,0,0,0|1,0,0]=3 7407 B10R0.78 CCSCC(=O)CCC(C)C 1458a_100000230394_100000210312 [0,2,0,0,0,0|0,0,2]=4 7408 B10R0.78 CCSCC(=O)CCC(C)O 1458a_100000230394_100012276601 [0,2,0,0,0,0|0,0,2]=4 7409 B10R0.78 CCSCC(=O)COC(=O)C 62a_100000036994_100000210202 [0,2,0,0,0,0|1,0,1]=4 7410 B10R0.78 CCSCC(=O)COC(=O)C 62a_100000210202_100000036994 [0,2,0,0,0,0|1,0,1]=4 7411 B10R0.78 CCSCC(=O)NNC(=O)C 22a_100000189765_100000230394 [0,2,0,0,0,0|2,0,0]=4 7412 B10R0.78 CCSCC(=O)NNC(=O)C 62a_100000181415_100000210202 [0,2,0,0,0,0|2,0,0]=4 7413 B10R0.78 CCSCC(=O)NNC(=O)C 62a_100000210202_100000181415 [0,2,0,0,0,0|2,0,0]=4 7414 B10R0.78 COC=CC(=O)CC=C(C)C 1458a_100016268678_100000761012 [0,2,0,0,0,0|0,0,2]=4 7415 B10R0.78 COC=CC(=O)CCC(C)C 1458a_100016268678_100000210312 [0,2,0,0,0,0|0,0,0]=2 7416 B10R0.78 COC=CC(=O)CCC(C)O 1458a_100016268678_100012276601 [0,2,0,0,0,0|0,0,0]=2 7417 B10R0.78 COC=CC(=O)NCC(C)C 1626a_100000210953_100016268678 [0,2,0,0,0,0|1,0,0]=3 7418 B10R0.78 COC=CC(=O)NCC(C)C 240690a_100000210953_100016268678 [0,2,0,0,0,0|1,0,0]=3 7419 B10R0.78 COC=CC(=O)NCC(C)O 240690a_100000210904_100016268678 [0,2,0,0,0,0|1,0,0]=3 7420 B10R0.78 COC=CC(=O)NCC(F)F 1626a_100000765723_100016268678 [0,2,0,0,0,0|2,0,0]=4 7421 B10R0.78 COC=CC(=O)NCC(F)F 240690a_100000765723_100016268678 [0,2,0,0,0,0|2,0,0]=4 7422 B10R0.78 COC=CC(=O)NNC(C)C 22a_100000741168_100016268678 [0,2,0,0,0,0|2,0,0]=4 7423 B10R0.78 COCCC(=O)C=CC(C)C 1458a_100016268746_100000233755 [0,2,0,0,0,0|1,0,0]=3 7424 B10R0.78 COCCC(=O)CC=C(C)C 1458a_100000749529_100000761012 [0,2,0,0,0,0|1,0,0]=3 7425 B10R0.78 COCCC(=O)CC=C(C)C 1458a_100011220947_100000233755 [0,2,0,0,0,0|1,0,0]=3 7426 B10R0.78 COCCC(=O)CCC(C)C 1458a_100000181311_100000233755 [0,2,0,0,0,0|0,0,2]=4 7427 B10R0.78 COCCC(=O)CCC(C)C 1458a_100000749529_100000210312 [0,2,0,0,0,0|0,0,2]=4 7428 B10R0.78 COCCC(=O)CCC(C)O 1458a_100000749529_100012276601 [0,2,0,0,0,0|0,0,2]=4 7429 B10R0.78 COCCC(=O)CNC(=O)C 1458a_100000194580_100000233755 [0,2,0,0,0,0|1,0,1]=4 7430 B10R0.78 COCCC(=O)COC(=O)C 1458a_100000183556_100000233755 [0,2,0,0,0,0|1,0,1]=4 7431 B10R0.78 COCCC(=O)CSC(=O)C 1458a_100000049016_100000233755 [0,2,0,0,0,0|1,0,1]=4 7432 B10R0.78 COCCC(=O)NNC(=O)C 22a_100000189765_100000749529 [0,2,0,0,0,0|2,0,0]=4 7433 B10R0.78 COCCC(=O)NNC(=O)C 22a_100011260505_100000070787 [0,2,0,0,0,0|2,0,0]=4 7434 B10R0.78 CSCCC(=O)C=CC(C)C 1458a_100016268746_100000751147 [0,2,0,0,0,0|1,0,0]=3 7435 B10R0.78 CSCCC(=O)CC=C(C)C 1458a_100000174002_100000761012 [0,2,0,0,0,0|1,0,0]=3 7436 B10R0.78 CSCCC(=O)CC=C(C)C 1458a_100011220947_100000751147 [0,2,0,0,0,0|1,0,0]=3 7437 B10R0.78 CSCCC(=O)CCC(C)C 1458a_100000174002_100000210312 [0,2,0,0,0,0|0,0,2]=4 7438 B10R0.78 CSCCC(=O)CCC(C)C 1458a_100000181311_100000751147 [0,2,0,0,0,0|0,0,2]=4 7439 B10R0.78 CSCCC(=O)CCC(C)O 1458a_100000174002_100012276601 [0,2,0,0,0,0|0,0,2]=4 7440 B10R0.78 CSCCC(=O)CNC(=O)C 1458a_100000194580_100000751147 [0,2,0,0,0,0|1,0,1]=4 7441 B10R0.78 CSCCC(=O)COC(=O)C 1458a_100000183556_100000751147 [0,2,0,0,0,0|1,0,1]=4 7442 B10R0.78 CSCCC(=O)CSC(=O)C 1458a_100000049016_100000751147 [0,2,0,0,0,0|1,0,1]=4 7443 B10R0.78 CSCCC(=O)NNC(=O)C 22a_100000189765_100000174002 [0,2,0,0,0,0|2,0,0]=4 7444 B10R0.7 C=CCC(=O)CC(C)(C)CC 1458a_200000763500_100000210623 [0,2,0,0,0,0|0,0,2]=4 7445 B10R0.7 C=CCC(=O)CC(C)(O)CC 1458a_200011219800_100000210623 [0,2,0,0,0,0|0,0,2]=4 7446 B10R0.7 CC=CC(=O)NC(C)(C)CC 11a_100000211385_100000210699 [0,2,0,0,0,0|1,0,0]=3 7447 B10R0.7 CC=CC(=O)NC(C)(C)CC 1626a_100000211385_100000210699 [0,2,0,0,0,0|1,0,0]=3 7448 B10R0.7 CC=CC(=O)NC(C)(C)CC 240690a_100000211385_100000210699 [0,2,0,0,0,0|1,0,0]=3 7449 B10R0.7 CC=CC(=O)NC(C)(C)CO 240690a_100000210608_100000210699 [0,2,0,0,0,0|2,0,0]=4 7450 B10R0.7 CC=CC(=O)NS(=O)(=O)CC 2740a_100000171174_100000210699 [0,2,0,0,0,0|2,0,0]=4 7451 B10R0.7 CCC(C)(C)CC(=O)NNC 22a_100016993582_200000763500 [0,2,0,0,0,0|2,0,0]=4 7452 B10R0.7 CCC(C)(C)NC(=O)C=CBr 1626a_100000211385_100016273825 [0,2,0,0,0,0|2,0,0]=4 7453 B10R0.7 CCC(C)(C)NC(=O)C=CBr 240690a_100000211385_100016273825 [0,2,0,0,0,0|2,0,0]=4 7454 B10R0.7 CCC(C)(C)NC(=O)C=CCl 11a_100000211385_200016279998 [0,2,0,0,0,0|2,0,0]=4 7455 B10R0.7 CCC(C)(C)NC(=O)C=CCl 1626a_100000211385_200016279998 [0,2,0,0,0,0|2,0,0]=4 7456 B10R0.7 CCC(C)(C)NC(=O)C=CCl 240690a_100000211385_200016279998 [0,2,0,0,0,0|2,0,0]=4 7457 B10R0.7 CCC(C)(C)NC(=O)C=CI 1626a_100000211385_100016256311 [0,2,0,0,0,0|2,0,0]=4 7458 B10R0.7 CCC(C)(O)CC(=O)NNC 22a_100016993582_200011219800 [0,2,0,0,0,0|2,0,0]=4 7459 B10R0.7 CCCC(=O)CC(C)(C)CC 1458a_200000763500_100000210303 [0,2,0,0,0,0|0,0,2]=4 7460 B10R0.7 CCCC(=O)CC(C)(O)CC 1458a_200011219800_100000210303 [0,2,0,0,0,0|0,0,2]=4 7461 B10R0.7 CCNC(=O)CC(C)(C)CC 11a_100015525214_200000763500 [0,2,0,0,0,0|1,0,1]=4 7462 B10R0.7 CCNC(=O)CC(C)(C)CC 240690a_100015525214_200000763500 [0,2,0,0,0,0|1,0,1]=4 7463 B10R0.7 CCNC(=O)CC(C)(C)CC 527a_100015525214_200000763500 [0,2,0,0,0,0|1,0,1]=4 7464 B10R0.7 CCNC(=O)CC(C)(O)CC 240690a_100015525214_200011219800 [0,2,0,0,0,0|1,0,1]=4 7465 B10R0.7 CCNC(=O)CC(C)(O)CC 527a_100015525214_200011219800 [0,2,0,0,0,0|1,0,1]=4 7466 B10R0.26 CC(C)C(=O)CC(=O)C=CBr 1458a_100016273825_100000753385 [0,2,0,0,0,0|1,0,1]=4 7467 B10R0.26 CC(C)C(=O)CC(=O)C=CCl 1458a_200016279998_100000753385 [0,2,0,0,0,0|1,0,1]=4 7468 B10R0.26 CC(C)C(=O)CC(=O)C=CI 1458a_100016256311_100000753385 [0,2,0,0,0,0|1,0,1]=4 7469 B10R0.26 CC(C)C(C)NC(=O)C=CBr 1626a_100000211541_100016273825 [0,2,0,0,0,0|2,0,0]=4 7470 B10R0.26 CC(C)C(C)NC(=O)C=CBr 240690a_100000211541_100016273825 [0,2,0,0,0,0|2,0,0]=4 7471 B10R0.26 CC(C)C(C)NC(=O)C=CCl 11a_100000211541_200016279998 [0,2,0,0,0,0|2,0,0]=4 7472 B10R0.26 CC(C)C(C)NC(=O)C=CCl 1626a_100000211541_200016279998 [0,2,0,0,0,0|2,0,0]=4 7473 B10R0.26 CC(C)C(C)NC(=O)C=CCl 240690a_100000211541_200016279998 [0,2,0,0,0,0|2,0,0]=4 7474 B10R0.26 CC(C)C(C)NC(=O)C=CI 1626a_100000211541_100016256311 [0,2,0,0,0,0|2,0,0]=4 7475 B10R0.26 CC=CC(=O)CC(=O)C(=O)C 1458a_100000210699_100011261029 [0,2,0,0,0,0|0,0,2]=4 7476 B10R0.26 CC=CC(=O)CC(=O)C(C)C 1458a_100000210699_100000753385 [0,2,0,0,0,0|0,0,1]=3 7477 B10R0.26 CC=CC(=O)CC(=O)N(C)C 1458a_100000210699_100000185267 [0,2,0,0,0,0|1,0,1]=4 7478 B10R0.26 CC=CC(=O)NC(C)C(C)C 11a_100000211541_100000210699 [0,2,0,0,0,0|1,0,0]=3 7479 B10R0.26 CC=CC(=O)NC(C)C(C)C 1626a_100000211541_100000210699 [0,2,0,0,0,0|1,0,0]=3 7480 B10R0.26 CC=CC(=O)NC(C)C(C)C 240690a_100000211541_100000210699 [0,2,0,0,0,0|1,0,0]=3 7481 B10R0.34 C=CCC(=O)CC(CC)CC 1458a_100000210193_100011215472 [0,2,0,0,0,0|0,0,2]=4 7482 B10R0.34 C=C[C@@H](CO)NC(=O)C=CC 240690a_100016989147_100000210699 [0,2,0,0,0,0|2,0,0]=4 7483 B10R0.34 CC#CC(=O)CC(CC)CC 1458a_100000763181_100011215472 [0,2,0,0,0,0|0,0,2]=4 7484 B10R0.34 CC=CC(=O)CC(CC)CC 1458a_100000210699_100011215472 [0,2,0,0,0,0|0,0,0]=2 7485 B10R0.34 CC=CC(=O)CC(OC)OC 1458a_100000210699_100000751394 [0,2,0,0,0,0|1,0,0]=3 7486 B10R0.34 CC=CC(=O)NC(CC)CC 11a_100000199018_100000210699 [0,2,0,0,0,0|1,0,0]=3 7487 B10R0.34 CC=CC(=O)NC(CC)CC 1626a_100000199018_100000210699 [0,2,0,0,0,0|1,0,0]=3 7488 B10R0.34 CC=CC(=O)NC(CC)CC 240690a_100000199018_100000210699 [0,2,0,0,0,0|1,0,0]=3 7489 B10R0.34 CC=CC(=O)NC(CO)CO 240690a_100000759517_100000210699 [0,2,0,0,0,0|2,0,0]=4 7490 B10R0.34 CC=CC(=O)N[C@@H](CC)CO 240690a_100000709445_100000210699 [0,2,0,0,0,0|1,0,0]=3 7491 B10R0.34 CCC(CC)CC(=O)C=CBr 1458a_100016273825_100011215472 [0,2,0,0,0,0|1,0,0]=3 7492 B10R0.34 CCC(CC)CC(=O)C=CCl 1458a_200016279998_100011215472 [0,2,0,0,0,0|1,0,0]=3 7493 B10R0.34 CCC(CC)CC(=O)C=CI 1458a_100016256311_100011215472 [0,2,0,0,0,0|1,0,0]=3 7494 B10R0.34 CCC(CC)CC(=O)COC 1458a_100000210968_100011215472 [0,2,0,0,0,0|1,0,1]=4 7495 B10R0.34 CCC(CC)CC(=O)CSC 1458a_100000184570_100011215472 [0,2,0,0,0,0|1,0,1]=4 7496 B10R0.34 CCC(CC)NC(=O)C=CBr 1626a_100000199018_100016273825 [0,2,0,0,0,0|2,0,0]=4 7497 B10R0.34 CCC(CC)NC(=O)C=CBr 240690a_100000199018_100016273825 [0,2,0,0,0,0|2,0,0]=4 7498 B10R0.34 CCC(CC)NC(=O)C=CCl 11a_100000199018_200016279998 [0,2,0,0,0,0|2,0,0]=4 7499 B10R0.34 CCC(CC)NC(=O)C=CCl 1626a_100000199018_200016279998 [0,2,0,0,0,0|2,0,0]=4 7500 B10R0.34 CCC(CC)NC(=O)C=CCl 240690a_100000199018_200016279998 [0,2,0,0,0,0|2,0,0]=4 7501 B10R0.34 CCC(CC)NC(=O)C=CI 1626a_100000199018_100016256311 [0,2,0,0,0,0|2,0,0]=4 7502 B10R0.34 CCCC(=O)CC(CC)CC 1458a_100000211992_100011215472 [0,2,0,0,0,0|0,0,2]=4 7503 B10R0.34 CC[C@@H](CO)NC(=O)C=CBr 240690a_100000709445_100016273825 [0,2,0,0,0,0|2,0,0]=4 7504 B10R0.34 CC[C@@H](CO)NC(=O)C=CCl 240690a_100000709445_200016279998 [0,2,0,0,0,0|2,0,0]=4 7505 B10R0.34 COC(CC(=O)C=CBr)OC 1458a_100016273825_100000751394 [0,2,0,0,0,0|2,0,0]=4 7506 B10R0.34 COC(CC(=O)C=CCl)OC 1458a_200016279998_100000751394 [0,2,0,0,0,0|2,0,0]=4 7507 B10R0.34 COC(CC(=O)C=CI)OC 1458a_100016256311_100000751394 [0,2,0,0,0,0|2,0,0]=4 7508 B10R0.33 C=CCC(=O)C(CC)CCC 1458a_100000210193_100011219200 [0,2,0,0,0,0|0,0,2]=4 7509 B10R0.33 C=CCC(=O)C(CC)CCC 1458a_100011416436_100000210623 [0,2,0,0,0,0|0,0,2]=4 7510 B10R0.33 CC#CC(=O)C(CC)CCC 1458a_100000763181_100011219200 [0,2,0,0,0,0|0,0,2]=4 7511 B10R0.33 CC=CC(=O)C(CC)CCC 1458a_100000210699_100011219200 [0,2,0,0,0,0|0,0,0]=2 7512 B10R0.33 CC=CC(=O)N(CC)CCC 11a_100000226822_100000210699 [0,2,0,0,0,0|1,0,0]=3 7513 B10R0.33 CC=CC(=O)N(CC)CCC 1626a_100000226822_100000210699 [0,2,0,0,0,0|1,0,0]=3 7514 B10R0.33 CC=CC(=O)N(CC)CCC 240690a_100000226822_100000210699 [0,2,0,0,0,0|1,0,0]=3 7515 B10R0.33 CC=CC(=O)N(CC)CCO 240690a_100000210973_100000210699 [0,2,0,0,0,0|2,0,0]=4 7516 B10R0.33 CCCC(=O)C(CC)CCC 1458a_100000211992_100011219200 [0,2,0,0,0,0|0,0,2]=4 7517 B10R0.33 CCCC(=O)C(CC)CCC 1458a_100011416436_100000210303 [0,2,0,0,0,0|0,0,2]=4 7518 B10R0.33 CCCC(=O)C(CCC)OC 34a_200011216804_200000210301 [0,2,0,0,0,0|0,0,2]=4 7519 B10R0.33 CCCC(=O)C(CCC)OC 7a_200011216804_200000210301 [0,2,0,0,0,0|0,0,2]=4 7520 B10R0.33 CCCC(=O)C(CCC)O[13CH3] 34a_200011216804_200025704644 [0,2,0,0,0,0|0,0,2]=4 7521 B10R0.33 CCCC(=O)C(CCC)O[13CH3] 7a_200011216804_200025704644 [0,2,0,0,0,0|0,0,2]=4 7522 B10R0.33 CCCC(CC)C(=O)C=CBr 1458a_100016273825_100011219200 [0,2,0,0,0,0|1,0,0]=3 7523 B10R0.33 CCCC(CC)C(=O)C=CCl 1458a_200016279998_100011219200 [0,2,0,0,0,0|1,0,0]=3 7524 B10R0.33 CCCC(CC)C(=O)C=CI 1458a_100016256311_100011219200 [0,2,0,0,0,0|1,0,0]=3 7525 B10R0.33 CCCC(CC)C(=O)COC 1458a_100000210968_100011219200 [0,2,0,0,0,0|1,0,1]=4 7526 B10R0.33 CCCC(CC)C(=O)CSC 1458a_100000184570_100011219200 [0,2,0,0,0,0|1,0,1]=4 7527 B10R0.33 CCCC(CC)C(=O)NCC 11a_100015525214_100011416436 [0,2,0,0,0,0|1,0,1]=4 7528 B10R0.33 CCCC(CC)C(=O)NCC 240690a_100015525214_100011416436 [0,2,0,0,0,0|1,0,1]=4 7529 B10R0.33 CCCC(CC)C(=O)NCC 527a_100015525214_100011416436 [0,2,0,0,0,0|1,0,1]=4 7530 B10R0.33 CCCC(CC)C(=O)NNC 22a_100016993582_100011416436 [0,2,0,0,0,0|2,0,0]=4 7531 B10R0.33 CCCC(NC)C(=O)OCC 2230a_106832991635_100000695697 [0,2,0,0,0,0|1,0,1]=4 7532 B10R0.33 CCCC(NC)C(=O)OCC 34a_100102657272_100000695697 [0,2,0,0,0,0|1,0,1]=4 7533 B10R0.33 CCCC(NC)C(=O)OCC 7a_106832991635_100000695697 [0,2,0,0,0,0|1,0,1]=4 7534 B10R0.33 CCCC(OC)C(=O)OCC 34a_100138415774_100000695697 [0,2,0,0,0,0|1,0,1]=4 7535 B10R0.33 CCCC(OC)C(=O)OCC 34a_200011218214_200000210301 [0,2,0,0,0,0|1,0,1]=4 7536 B10R0.33 CCCC(OC)C(=O)OCC 7a_200011218214_200000210301 [0,2,0,0,0,0|1,0,1]=4 7537 B10R0.33 CCCC(O[13CH3])C(=O)OCC 34a_200011218214_200025704644 [0,2,0,0,0,0|1,0,1]=4 7538 B10R0.33 CCCC(O[13CH3])C(=O)OCC 7a_200011218214_200025704644 [0,2,0,0,0,0|1,0,1]=4 7539 B10R0.33 CCCC(SC)C(=O)OCC 62a_100000695697_200000210301 [0,2,0,0,0,0|1,0,1]=4 7540 B10R0.33 CCCC(SC)C(=O)OCC 62a_200000210301_100000695697 [0,2,0,0,0,0|1,0,1]=4 7541 B10R0.33 CCCC(S[13CH3])C(=O)OCC 62a_100000695697_200025704644 [0,2,0,0,0,0|1,0,1]=4 7542 B10R0.33 CCCC(S[13CH3])C(=O)OCC 62a_200025704644_100000695697 [0,2,0,0,0,0|1,0,1]=4 7543 B10R0.33 CCCN(CC)C(=O)C=CBr 1626a_100000226822_100016273825 [0,2,0,0,0,0|2,0,0]=4 7544 B10R0.33 CCCN(CC)C(=O)C=CBr 240690a_100000226822_100016273825 [0,2,0,0,0,0|2,0,0]=4 7545 B10R0.33 CCCN(CC)C(=O)C=CCl 11a_100000226822_200016279998 [0,2,0,0,0,0|2,0,0]=4 7546 B10R0.33 CCCN(CC)C(=O)C=CCl 1626a_100000226822_200016279998 [0,2,0,0,0,0|2,0,0]=4 7547 B10R0.33 CCCN(CC)C(=O)C=CCl 240690a_100000226822_200016279998 [0,2,0,0,0,0|2,0,0]=4 7548 B10R0.33 CCCN(CC)C(=O)C=CI 1626a_100000226822_100016256311 [0,2,0,0,0,0|2,0,0]=4 7549 B10R0.129 C=CCC(=O)C(C)(C)CCC 1458a_100011215034_100000210623 [0,2,0,0,0,0|0,0,2]=4 7550 B10R0.129 CCCC(=O)C(C)(C)CCC 1458a_100011215034_100000210303 [0,2,0,0,0,0|0,0,2]=4 7551 B10R0.129 CCCC(C)(C)C(=O)NCC 11a_100015525214_100011215034 [0,2,0,0,0,0|1,0,1]=4 7552 B10R0.129 CCCC(C)(C)C(=O)NCC 240690a_100015525214_100011215034 [0,2,0,0,0,0|1,0,1]=4 7553 B10R0.129 CCCC(C)(C)C(=O)NCC 527a_100015525214_100011215034 [0,2,0,0,0,0|1,0,1]=4 7554 B10R0.129 CCCC(C)(C)C(=O)NNC 22a_100016993582_100011215034 [0,2,0,0,0,0|2,0,0]=4 7555 B10R0.109 C=CCC(=O)CCC(C)(C)C 1458a_100000210193_100000755188 [0,2,0,0,0,0|0,0,2]=4 7556 B10R0.109 C=CCC(=O)CCC(C)(C)C 1458a_100000757465_100000210623 [0,2,0,0,0,0|0,0,2]=4 7557 B10R0.109 C=CCC(=O)CCC(C)(F)F 1458a_100000030992_100000210623 [0,2,0,0,0,0|0,0,2]=4 7558 B10R0.109 CC#CC(=O)CCC(C)(C)C 1458a_100000763181_100000755188 [0,2,0,0,0,0|0,0,2]=4 7559 B10R0.109 CC(C)(C)CCC(=O)C=CBr 1458a_100016273825_100000755188 [0,2,0,0,0,0|1,0,0]=3 7560 B10R0.109 CC(C)(C)CCC(=O)C=CCl 1458a_200016279998_100000755188 [0,2,0,0,0,0|1,0,0]=3 7561 B10R0.109 CC(C)(C)CCC(=O)C=CI 1458a_100016256311_100000755188 [0,2,0,0,0,0|1,0,0]=3 7562 B10R0.109 CC(C)(C)CNC(=O)C=CBr 1626a_100000743828_100016273825 [0,2,0,0,0,0|2,0,0]=4 7563 B10R0.109 CC(C)(C)CNC(=O)C=CBr 240690a_100000743828_100016273825 [0,2,0,0,0,0|2,0,0]=4 7564 B10R0.109 CC(C)(C)CNC(=O)C=CCl 11a_100000743828_200016279998 [0,2,0,0,0,0|2,0,0]=4 7565 B10R0.109 CC(C)(C)CNC(=O)C=CCl 1626a_100000743828_200016279998 [0,2,0,0,0,0|2,0,0]=4 7566 B10R0.109 CC(C)(C)CNC(=O)C=CCl 240690a_100000743828_200016279998 [0,2,0,0,0,0|2,0,0]=4 7567 B10R0.109 CC(C)(C)CNC(=O)C=CI 1626a_100000743828_100016256311 [0,2,0,0,0,0|2,0,0]=4 7568 B10R0.109 CC(C)(F)CNC(=O)C=CBr 1626a_100020643315_100016273825 [0,2,0,0,0,0|2,0,0]=4 7569 B10R0.109 CC(C)(F)CNC(=O)C=CBr 240690a_100020643315_100016273825 [0,2,0,0,0,0|2,0,0]=4 7570 B10R0.109 CC(C)(F)CNC(=O)C=CCl 11a_100020643315_200016279998 [0,2,0,0,0,0|2,0,0]=4 7571 B10R0.109 CC(C)(F)CNC(=O)C=CCl 1626a_100020643315_200016279998 [0,2,0,0,0,0|2,0,0]=4 7572 B10R0.109 CC(C)(F)CNC(=O)C=CCl 240690a_100020643315_200016279998 [0,2,0,0,0,0|2,0,0]=4 7573 B10R0.109 CC(C)(F)CNC(=O)C=CI 1626a_100020643315_100016256311 [0,2,0,0,0,0|2,0,0]=4 7574 B10R0.109 CC(C)(O)CNC(=O)C=CBr 1626a_100000751335_100016273825 [0,2,0,0,0,0|2,0,0]=4 7575 B10R0.109 CC(C)(O)CNC(=O)C=CBr 240690a_100000751335_100016273825 [0,2,0,0,0,0|2,0,0]=4 7576 B10R0.109 CC(C)(O)CNC(=O)C=CCl 1626a_100000751335_200016279998 [0,2,0,0,0,0|2,0,0]=4 7577 B10R0.109 CC(C)(O)CNC(=O)C=CCl 240690a_100000751335_200016279998 [0,2,0,0,0,0|2,0,0]=4 7578 B10R0.109 CC(C)(O)CNC(=O)C=CI 1626a_100000751335_100016256311 [0,2,0,0,0,0|2,0,0]=4 7579 B10R0.109 CC(F)(F)CNC(=O)C=CBr 1626a_100000731000_100016273825 [0,2,0,0,0,0|2,0,0]=4 7580 B10R0.109 CC(F)(F)CNC(=O)C=CBr 240690a_100000731000_100016273825 [0,2,0,0,0,0|2,0,0]=4 7581 B10R0.109 CC(F)(F)CNC(=O)C=CCl 11a_100000731000_200016279998 [0,2,0,0,0,0|2,0,0]=4 7582 B10R0.109 CC(F)(F)CNC(=O)C=CCl 1626a_100000731000_200016279998 [0,2,0,0,0,0|2,0,0]=4 7583 B10R0.109 CC(F)(F)CNC(=O)C=CCl 240690a_100000731000_200016279998 [0,2,0,0,0,0|2,0,0]=4 7584 B10R0.109 CC(F)(F)CNC(=O)C=CI 1626a_100000731000_100016256311 [0,2,0,0,0,0|2,0,0]=4 7585 B10R0.109 CC=CC(=O)CCC(C)(C)C 1458a_100000210699_100000755188 [0,2,0,0,0,0|0,0,0]=2 7586 B10R0.109 CC=CC(=O)CCC(F)(F)F 1458a_100000210699_100011219754 [0,2,0,0,0,0|1,0,0]=3 7587 B10R0.109 CC=CC(=O)CCS(=O)(=O)C 1458a_100000210699_100000731031 [0,2,0,0,0,0|1,0,0]=3 7588 B10R0.109 CC=CC(=O)CCS(=O)(=O)[O-] 1458a_100000210699_100000762736 [0,2,0,0,0,0|2,0,0]=4 7589 B10R0.109 CC=CC(=O)CC[N+](C)(C)C 1458a_100000210699_100000085578 [0,2,0,0,0,0|1,0,0]=3 7590 B10R0.109 CC=CC(=O)CC[Si](C)(C)C 1458a_100000210699_200000733723 [0,2,0,0,0,0|0,1,0]=3 7591 B10R0.109 CC=CC(=O)NCC(C)(C)C 11a_100000743828_100000210699 [0,2,0,0,0,0|1,0,0]=3 7592 B10R0.109 CC=CC(=O)NCC(C)(C)C 1626a_100000743828_100000210699 [0,2,0,0,0,0|1,0,0]=3 7593 B10R0.109 CC=CC(=O)NCC(C)(C)C 240690a_100000743828_100000210699 [0,2,0,0,0,0|1,0,0]=3 7594 B10R0.109 CC=CC(=O)NCC(C)(C)F 11a_100020643315_100000210699 [0,2,0,0,0,0|1,0,0]=3 7595 B10R0.109 CC=CC(=O)NCC(C)(C)F 1626a_100020643315_100000210699 [0,2,0,0,0,0|1,0,0]=3 7596 B10R0.109 CC=CC(=O)NCC(C)(C)F 240690a_100020643315_100000210699 [0,2,0,0,0,0|1,0,0]=3 7597 B10R0.109 CC=CC(=O)NCC(C)(C)O 1626a_100000751335_100000210699 [0,2,0,0,0,0|1,0,0]=3 7598 B10R0.109 CC=CC(=O)NCC(C)(C)O 240690a_100000751335_100000210699 [0,2,0,0,0,0|1,0,0]=3 7599 B10R0.109 CC=CC(=O)NCC(C)(F)F 11a_100000731000_100000210699 [0,2,0,0,0,0|1,0,0]=3 7600 B10R0.109 CC=CC(=O)NCC(C)(F)F 1626a_100000731000_100000210699 [0,2,0,0,0,0|1,0,0]=3 7601 B10R0.109 CC=CC(=O)NCC(C)(F)F 240690a_100000731000_100000210699 [0,2,0,0,0,0|1,0,0]=3 7602 B10R0.109 CC=CC(=O)NCC(F)(F)F 11a_100000717047_100000210699 [0,2,0,0,0,0|2,0,0]=4 7603 B10R0.109 CC=CC(=O)NCC(F)(F)F 1626a_100000717047_100000210699 [0,2,0,0,0,0|2,0,0]=4 7604 B10R0.109 CC=CC(=O)NCC(F)(F)F 240690a_100000717047_100000210699 [0,2,0,0,0,0|2,0,0]=4 7605 B10R0.109 CC=CC(=O)NC[Si](C)(C)C 11a_102516607284_100000210699 [0,2,0,0,0,0|1,1,0]=4 7606 B10R0.109 CC=CC(=O)NC[Si](C)(C)C 1626a_102516607284_100000210699 [0,2,0,0,0,0|1,1,0]=4 7607 B10R0.109 CC=CC(=O)NC[Si](C)(C)C 240690a_102516607284_100000210699 [0,2,0,0,0,0|1,1,0]=4 7608 B10R0.109 CC=CC(=O)NNC(C)(C)C 22a_100000725372_100000210699 [0,2,0,0,0,0|2,0,0]=4 7609 B10R0.109 CCCC(=O)CCC(C)(C)C 1458a_100000211992_100000755188 [0,2,0,0,0,0|0,0,2]=4 7610 B10R0.109 CCCC(=O)CCC(C)(C)C 1458a_100000757465_100000210303 [0,2,0,0,0,0|0,0,2]=4 7611 B10R0.109 CCCC(=O)CCC(C)(F)F 1458a_100000030992_100000210303 [0,2,0,0,0,0|0,0,2]=4 7612 B10R0.109 CCNC(=O)CCC(C)(C)C 11a_100015525214_100000757465 [0,2,0,0,0,0|1,0,1]=4 7613 B10R0.109 CCNC(=O)CCC(C)(C)C 240690a_100015525214_100000757465 [0,2,0,0,0,0|1,0,1]=4 7614 B10R0.109 CCNC(=O)CCC(C)(C)C 527a_100015525214_100000757465 [0,2,0,0,0,0|1,0,1]=4 7615 B10R0.109 CCNC(=O)CCC(C)(F)F 11a_100015525214_100000030992 [0,2,0,0,0,0|1,0,1]=4 7616 B10R0.109 CCNC(=O)CCC(C)(F)F 240690a_100015525214_100000030992 [0,2,0,0,0,0|1,0,1]=4 7617 B10R0.109 CCNC(=O)CCC(C)(F)F 527a_100015525214_100000030992 [0,2,0,0,0,0|1,0,1]=4 7618 B10R0.109 CNNC(=O)CCC(C)(C)C 22a_100016993582_100000757465 [0,2,0,0,0,0|2,0,0]=4 7619 B10R0.109 CNNC(=O)CCC(C)(F)F 22a_100016993582_100000030992 [0,2,0,0,0,0|2,0,0]=4 7620 B10R0.109 COCC(=O)CCC(C)(C)C 1458a_100000210968_100000755188 [0,2,0,0,0,0|1,0,1]=4 7621 B10R0.109 CS(=O)(=O)CCC(=O)C=CBr 1458a_100016273825_100000731031 [0,2,0,0,0,0|2,0,0]=4 7622 B10R0.109 CS(=O)(=O)CCC(=O)C=CCl 1458a_200016279998_100000731031 [0,2,0,0,0,0|2,0,0]=4 7623 B10R0.109 CS(=O)(=O)CCC(=O)C=CI 1458a_100016256311_100000731031 [0,2,0,0,0,0|2,0,0]=4 7624 B10R0.109 CSCC(=O)CCC(C)(C)C 1458a_100000184570_100000755188 [0,2,0,0,0,0|1,0,1]=4 7625 B10R0.109 C[N+](C)(C)CCC(=O)C=CBr 1458a_100016273825_100000085578 [0,2,0,0,0,0|2,0,0]=4 7626 B10R0.109 C[N+](C)(C)CCC(=O)C=CCl 1458a_200016279998_100000085578 [0,2,0,0,0,0|2,0,0]=4 7627 B10R0.109 C[N+](C)(C)CCC(=O)C=CI 1458a_100016256311_100000085578 [0,2,0,0,0,0|2,0,0]=4 7628 B10R0.109 C[Si](C)(C)CCC(=O)C=CBr 1458a_100016273825_200000733723 [0,2,0,0,0,0|1,1,0]=4 7629 B10R0.109 C[Si](C)(C)CCC(=O)C=CCl 1458a_200016279998_200000733723 [0,2,0,0,0,0|1,1,0]=4 7630 B10R0.109 C[Si](C)(C)CCC(=O)C=CI 1458a_100016256311_200000733723 [0,2,0,0,0,0|1,1,0]=4 7631 B10R0.109 O=C(C=CBr)CCC(F)(F)F 1458a_100016273825_100011219754 [0,2,0,0,0,0|2,0,0]=4 7632 B10R0.109 O=C(C=CCl)CCC(F)(F)F 1458a_200016279998_100011219754 [0,2,0,0,0,0|2,0,0]=4 7633 B10R0.109 O=C(C=CI)CCC(F)(F)F 1458a_100016256311_100011219754 [0,2,0,0,0,0|2,0,0]=4 7634 B8R1.2 CCN1CC=CCC1 2230a_100000698166_100000210202 [1,0,0,1,0,0|1,0,1]=4 7635 B8R1.2 CCN1CC=CCC1 269982a_100000698166_100000204670 [1,0,0,1,0,0|1,0,1]=4 7636 B8R1.2 CCN1CC=CCC1 34a_100000698166_100000210202 [1,0,0,1,0,0|1,0,1]=4 7637 B8R1.2 COC1CC=CCC1 34a_100000073881_200000210301 [1,0,0,1,0,0|1,0,1]=4 7638 B8R1.2 [13CH3]OC1CC=CCC1 34a_100000073881_200025704644 [1,0,0,1,0,0|1,0,1]=4 7639 B8R1.8 CCCN1CC=CC1 269982a_100015195280_100000210303 [1,0,0,1,0,0|1,0,1]=4 7640 B8R1.8 CCNC1CC=CC1 2230a_100015188752_100000210202 [1,0,0,1,0,0|1,0,1]=4 7641 B8R1.8 COCC1CC=CC1 34a_100000688395_200000210301 [1,0,0,1,0,0|1,0,1]=4 7642 B8R1.8 [13CH3]OCC1CC=CC1 34a_100000688395_200025704644 [1,0,0,1,0,0|1,0,1]=4 7643 B8R1.10 C/C=C/CN1CCC1 269982a_100000754969_100102629194 [1,0,0,1,0,0|1,0,1]=4 7644 B8R1.10 CC=NNC1CCC1 4a_100000736358_200000210099 [1,0,0,1,0,0|2,0,0]=4 7645 B8R1.36 C/C=C/CNC1CC1 34a_100000212008_100102629194 [1,0,0,1,0,0|1,0,1]=4 7646 B8R1.36 C/C=C/COC1CC1 34a_100016270725_100000211595 [1,0,0,1,0,0|1,0,1]=4 7647 B8R1.36 C/C=C/CSC1CC1 62a_100102629194_100000211595 [1,0,0,1,0,0|1,0,1]=4 7648 B8R1.36 CC=CCNC1CC1 34a_100000212008_100000070051 [1,0,0,1,0,0|1,0,1]=4 7649 B8R1.36 CC=CCSC1CC1 62a_100000070051_100000211595 [1,0,0,1,0,0|1,0,1]=4 7650 B8R1.36 CC=NNCC1CC1 4a_100000736359_200000210099 [1,0,0,1,0,0|2,0,0]=4 7651 B8R1.1 CCN1CNC(=O)C1 2230a_200000708111_100000210202 [1,0,0,1,0,0|2,0,0]=4 7652 B8R1.1 CNC1CNC(=O)C1 2230a_100000697751_200000210301 [1,0,0,1,0,0|2,0,0]=4 7653 B8R1.1 COC1CCC(=O)C1 34a_100012614533_200000210301 [1,0,0,1,0,0|1,0,1]=4 7654 B8R1.1 COC1CNC(=O)C1 34a_100000690082_200000210301 [1,0,0,1,0,0|2,0,0]=4 7655 B8R1.1 [13CH3]NC1CNC(=O)C1 2230a_100000697751_200025704644 [1,0,0,1,0,0|2,0,0]=4 7656 B8R1.1 [13CH3]OC1CCC(=O)C1 34a_100012614533_200025704644 [1,0,0,1,0,0|1,0,1]=4 7657 B8R1.1 [13CH3]OC1CNC(=O)C1 34a_100000690082_200025704644 [1,0,0,1,0,0|2,0,0]=4 7658 B8R1.3 CC1=CCN(CC1)C 2230a_100000693516_200000210301 [1,0,0,1,0,0|2,0,0]=4 7659 B8R1.3 CC1=CCN(CC1)C 269982a_100000693516_200000210301 [1,0,0,1,0,0|2,0,0]=4 7660 B8R1.3 CC1=CCN(CC1)C 34a_100000693516_200000210301 [1,0,0,1,0,0|2,0,0]=4 7661 B8R1.3 CC1=CCN(CC1)[13CH3] 2230a_100000693516_200025704644 [1,0,0,1,0,0|2,0,0]=4 7662 B8R1.3 CC1=CCN(CC1)[13CH3] 269982a_100000693516_200025704644 [1,0,0,1,0,0|2,0,0]=4 7663 B8R1.3 CC1=CCN(CC1)[13CH3] 34a_100000693516_200025704644 [1,0,0,1,0,0|2,0,0]=4 7664 B8R1.38 C#CC(=O)C1CCC1 1458a_100000211873_100000749161 [1,0,0,1,0,0|0,0,2]=4 7665 B8R1.38 C=CC(=O)C1CCC1 1458a_100000185746_100000749161 [1,0,0,1,0,0|0,0,0]=2 7666 B8R1.38 C=CC(=O)C1COC1 1458a_100000185746_100000687716 [1,0,0,1,0,0|1,0,0]=3 7667 B8R1.38 C=CC(=O)N1CCC1 240690a_100000754969_200121576911 [1,0,0,1,0,0|1,0,0]=3 7668 B8R1.38 CCC(=O)C1CCC1 1458a_100000209988_100000210202 [1,0,0,1,0,0|0,0,1]=3 7669 B8R1.38 CCC(=O)C1CCC1 1458a_100000210414_100000749161 [1,0,0,1,0,0|0,0,1]=3 7670 B8R1.38 CCC(=O)C1CCO1 1458a_100000089072_100000210202 [1,0,0,1,0,0|1,0,1]=4 7671 B8R1.38 CCC(=O)C1COC1 1458a_100000210414_100000687716 [1,0,0,1,0,0|1,0,1]=4 7672 B8R1.38 CCC(=O)C1COC1 1458a_100000758290_100000210202 [1,0,0,1,0,0|1,0,1]=4 7673 B8R1.38 CCC(=O)N1CCC1 11a_100000754969_100000210414 [1,0,0,1,0,0|1,0,1]=4 7674 B8R1.38 CCC(=O)N1CCC1 240690a_100000754969_100000210414 [1,0,0,1,0,0|1,0,1]=4 7675 B8R1.38 CCC(=O)N1CCC1 527a_100000754969_100000210414 [1,0,0,1,0,0|1,0,1]=4 7676 B8R1.38 CNC(=O)C1CCC1 11a_106832991635_100000209988 [1,0,0,1,0,0|1,0,0]=3 7677 B8R1.38 CNC(=O)C1CCC1 1626a_100102657272_100000209988 [1,0,0,1,0,0|1,0,0]=3 7678 B8R1.38 CNC(=O)C1CCC1 240690a_100102657272_100000209988 [1,0,0,1,0,0|1,0,0]=3 7679 B8R1.38 CNC(=O)C1CCC1 527a_100102657272_100000209988 [1,0,0,1,0,0|1,0,0]=3 7680 B8R1.38 CNC(=O)C1CCO1 11a_106832991635_100000089072 [1,0,0,1,0,0|2,0,0]=4 7681 B8R1.38 CNC(=O)C1CCO1 1626a_100102657272_100000089072 [1,0,0,1,0,0|2,0,0]=4 7682 B8R1.38 CNC(=O)C1CCO1 240690a_100102657272_100000089072 [1,0,0,1,0,0|2,0,0]=4 7683 B8R1.38 CNC(=O)C1CCO1 527a_100102657272_100000089072 [1,0,0,1,0,0|2,0,0]=4 7684 B8R1.38 CNC(=O)C1COC1 11a_106832991635_100000758290 [1,0,0,1,0,0|2,0,0]=4 7685 B8R1.38 CNC(=O)C1COC1 1626a_100102657272_100000758290 [1,0,0,1,0,0|2,0,0]=4 7686 B8R1.38 CNC(=O)C1COC1 240690a_100102657272_100000758290 [1,0,0,1,0,0|2,0,0]=4 7687 B8R1.38 CNC(=O)C1COC1 527a_100102657272_100000758290 [1,0,0,1,0,0|2,0,0]=4 7688 B8R1.38 CNC(=O)N1CCC1 2708a_100102657272_100000754969 [1,0,0,1,0,0|2,0,0]=4 7689 B8R1.38 CNC(=O)N1CCC1 273464a_100102657272_100000754969 [1,0,0,1,0,0|2,0,0]=4 7690 B8R1.38 O=C(CF)C1CCC1 1458a_100000209988_100015361967 [1,0,0,1,0,0|1,0,1]=4 7691 B8R1.38 O=C(CO)C1CCC1 1458a_100000210174_100000749161 [1,0,0,1,0,0|1,0,1]=4 7692 B8R1.40 C#CC(=O)CC1CC1 1458a_100000211873_100000742324 [1,0,0,1,0,0|0,0,2]=4 7693 B8R1.40 C=CC(=O)CC1CC1 1458a_100000185746_100000742324 [1,0,0,1,0,0|0,0,0]=2 7694 B8R1.40 C=CC(=O)CC1CO1 1458a_100000185746_100011216344 [1,0,0,1,0,0|1,0,0]=3 7695 B8R1.40 C=CC(=O)CC1CS1 1458a_100000185746_100000031435 [1,0,0,1,0,0|1,0,0]=3 7696 B8R1.40 C=CC(=O)C[C@@H]1CO1 1458a_100000185746_100000745022 [1,0,0,1,0,0|1,0,0]=3 7697 B8R1.40 C=CC(=O)NC1CC1 1626a_100000212008_100000185746 [1,0,0,1,0,0|1,0,0]=3 7698 B8R1.40 C=CC(=O)NC1CC1 240690a_100000212008_200121576911 [1,0,0,1,0,0|1,0,0]=3 7699 B8R1.40 CCC(=O)CC1CC1 1458a_100000210414_100000742324 [1,0,0,1,0,0|0,0,1]=3 7700 B8R1.40 CCC(=O)CC1CC1 1458a_100000738066_100000210202 [1,0,0,1,0,0|0,0,1]=3 7701 B8R1.40 CCC(=O)CC1CO1 1458a_100000210414_100011216344 [1,0,0,1,0,0|1,0,1]=4 7702 B8R1.40 CCC(=O)CC1CS1 1458a_100000210414_100000031435 [1,0,0,1,0,0|1,0,1]=4 7703 B8R1.40 CCC(=O)C[C@@H]1CO1 1458a_100000210414_100000745022 [1,0,0,1,0,0|1,0,1]=4 7704 B8R1.40 CCC(=O)NC1CC1 1626a_100000212008_100000210414 [1,0,0,1,0,0|1,0,1]=4 7705 B8R1.40 CCC(=O)NC1CC1 240690a_100000212008_100000210414 [1,0,0,1,0,0|1,0,1]=4 7706 B8R1.40 CCC(=O)NC1CC1 527a_100000212008_100000210414 [1,0,0,1,0,0|1,0,1]=4 7707 B8R1.40 CNC(=O)CC1CC1 11a_106832991635_100000738066 [1,0,0,1,0,0|1,0,0]=3 7708 B8R1.40 CNC(=O)CC1CC1 1626a_100102657272_100000738066 [1,0,0,1,0,0|1,0,0]=3 7709 B8R1.40 CNC(=O)CC1CC1 240690a_100102657272_100000738066 [1,0,0,1,0,0|1,0,0]=3 7710 B8R1.40 CNC(=O)CC1CC1 527a_100102657272_100000738066 [1,0,0,1,0,0|1,0,0]=3 7711 B8R1.40 CNC(=O)NC1CC1 2708a_100000212008_106832991635 [1,0,0,1,0,0|2,0,0]=4 7712 B8R1.40 CNC(=O)NC1CC1 2708a_100102657272_100000212008 [1,0,0,1,0,0|2,0,0]=4 7713 B8R1.40 CNC(=O)NC1CC1 273464a_100000212008_100102657272 [1,0,0,1,0,0|2,0,0]=4 7714 B8R1.40 CNC(=O)NC1CC1 273464a_100102657272_100000212008 [1,0,0,1,0,0|2,0,0]=4 7715 B8R1.40 CNC(=O)NC1CC1 512a_100000212008_100102657272 [1,0,0,1,0,0|2,0,0]=4 7716 B8R1.40 O=C(CF)CC1CC1 1458a_100000738066_100015361967 [1,0,0,1,0,0|1,0,1]=4 7717 B8R1.40 O=C(CO)CC1CC1 1458a_100000210174_100000742324 [1,0,0,1,0,0|1,0,1]=4 7718 B8R1.83 CC1CC1C(=O)CF 1458a_100000211227_100015361967 [1,0,0,1,0,0|1,0,1]=4 7719 B8R1.83 CCC(=O)C1CC1C 1458a_100000211227_100000210202 [1,0,0,1,0,0|0,0,1]=3 7720 B8R1.83 CCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210202 [1,0,0,1,0,0|1,0,1]=4 7721 B8R1.83 CNC(=O)C1CC1C 11a_106832991635_100000211227 [1,0,0,1,0,0|1,0,0]=3 7722 B8R1.83 CNC(=O)C1CC1C 1626a_100102657272_100000211227 [1,0,0,1,0,0|1,0,0]=3 7723 B8R1.83 CNC(=O)C1CC1C 527a_100102657272_100000211227 [1,0,0,1,0,0|1,0,0]=3 7724 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F 11a_106832991635_100015396687 [1,0,0,1,0,0|2,0,0]=4 7725 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F 240690a_100102657272_100015396687 [1,0,0,1,0,0|2,0,0]=4 7726 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F 527a_100102657272_100015396687 [1,0,0,1,0,0|2,0,0]=4 7727 B8R1.83 COC(=O)C1CN1C 2230a_200009830135_200000210301 [1,0,0,1,0,0|2,0,0]=4 7728 B8R1.83 COC(=O)C1CN1[13CH3] 2230a_200009830135_200025704644 [1,0,0,1,0,0|2,0,0]=4 7729 B8R1.37 C=CCC(=O)C1CC1 1458a_100000210395_100000210623 [1,0,0,1,0,0|0,0,2]=4 7730 B8R1.37 CCCC(=O)C1CC1 1458a_100000210395_100000210303 [1,0,0,1,0,0|0,0,2]=4 7731 B8R1.37 CCCC(=O)C1CO1 1458a_100000701028_100000210303 [1,0,0,1,0,0|1,0,1]=4 7732 B8R1.37 CCNC(=O)C1CC1 11a_100015525214_100000210395 [1,0,0,1,0,0|1,0,1]=4 7733 B8R1.37 CCNC(=O)C1CC1 240690a_100015525214_100000210395 [1,0,0,1,0,0|1,0,1]=4 7734 B8R1.37 CCNC(=O)C1CC1 527a_100015525214_100000210395 [1,0,0,1,0,0|1,0,1]=4 7735 B8R1.37 CNCC(=O)C1CC1 2230a_106832991635_100000746382 [1,0,0,1,0,0|1,0,1]=4 7736 B8R1.37 CNCC(=O)C1CC1 34a_100102657272_100000746382 [1,0,0,1,0,0|1,0,1]=4 7737 B8R1.37 CNCC(=O)C1CC1 7a_106832991635_100000746382 [1,0,0,1,0,0|1,0,1]=4 7738 B8R1.37 CNNC(=O)C1CC1 22a_100016993582_100000210395 [1,0,0,1,0,0|2,0,0]=4 7739 B8R1.37 COCC(=O)C1CC1 34a_100000686663_200000210301 [1,0,0,1,0,0|1,0,1]=4 7740 B8R1.37 COCC(=O)C1CC1 34a_100138415774_100000746382 [1,0,0,1,0,0|1,0,1]=4 7741 B8R1.37 CSCC(=O)C1CC1 62a_100000746382_200000210301 [1,0,0,1,0,0|1,0,1]=4 7742 B8R1.37 CSCC(=O)C1CC1 62a_200000210301_100000746382 [1,0,0,1,0,0|1,0,1]=4 7743 B8R1.37 [13CH3]OCC(=O)C1CC1 34a_100000686663_200025704644 [1,0,0,1,0,0|1,0,1]=4 7744 B8R1.37 [13CH3]SCC(=O)C1CC1 62a_100000746382_200025704644 [1,0,0,1,0,0|1,0,1]=4 7745 B8R1.37 [13CH3]SCC(=O)C1CC1 62a_200025704644_100000746382 [1,0,0,1,0,0|1,0,1]=4 7746 B10R1.16 C/C=C/CN1CC[C@H](C1)C 269982a_100016987628_100102629194 [0,1,0,1,0,0|2,0,0]=4 7747 B10R1.16 C/C=C/CN1CC[C@H](C1)C 34a_100016987628_100102629194 [0,1,0,1,0,0|2,0,0]=4 7748 B10R1.16 CC=CCN1CC[C@H](C1)C 2230a_100016987628_100000070051 [0,1,0,1,0,0|2,0,0]=4 7749 B10R1.16 CC=CCN1CC[C@H](C1)C 34a_100016987628_100000070051 [0,1,0,1,0,0|2,0,0]=4 7750 B10R1.16 CCCCc1c[nH]c(n1)C 271570a_100020621405_100009814057 [0,1,0,1,0,0|1,0,0]=3 7751 B10R1.16 CCCCc1cc([nH]n1)C 271570a_100020621405_100015199547 [0,1,0,1,0,0|1,0,0]=3 7752 B10R1.16 CCCCc1cc([nH]n1)N 271570a_100020621405_100009822546 [0,1,0,1,0,0|2,0,0]=4 7753 B10R1.16 CCCCc1cc(cs1)C 271570a_100020621405_100009876951 [0,1,0,1,0,0|0,1,0]=3 7754 B10R1.16 CCCCc1cc(n[nH]1)Br 271570a_100020621405_100160470719 [0,1,0,1,0,0|2,0,0]=4 7755 B10R1.16 CCCCc1cc(ns1)C 271570a_100020621405_100009815735 [0,1,0,1,0,0|0,1,0]=3 7756 B10R1.16 CCCCc1ccc(s1)Br 271570a_100020621405_100010197418 [0,1,0,1,0,0|0,1,1]=4 7757 B10R1.16 CCCCc1ccc(s1)C 271570a_100020621405_100000761539 [0,1,0,1,0,0|0,1,0]=3 7758 B10R1.16 CCCCc1ccn(n1)C 271570a_100020621405_100000752436 [0,1,0,1,0,0|1,0,0]=3 7759 B10R1.16 CCCCc1cn(cn1)C 271570a_100020621405_100000040308 [0,1,0,1,0,0|2,0,0]=4 7760 B10R1.16 CCCCc1cn(nn1)C 271570a_100020621405_100000760339 [0,1,0,1,0,0|2,0,0]=4 7761 B10R1.16 CCCCc1cn(nn1)C 274090a_200000210301_100000039217 [0,1,0,1,0,0|2,0,0]=4 7762 B10R1.16 CCCCc1cn(nn1)[13CH3] 274090a_200025704644_100000039217 [0,1,0,1,0,0|2,0,0]=4 7763 B10R1.16 CCCCc1cnc(s1)C 271570a_100020621405_100000764884 [0,1,0,1,0,0|0,1,0]=3 7764 B10R1.16 CCCCc1cnn(c1)C 271570a_100020621405_100000748075 [0,1,0,1,0,0|2,0,0]=4 7765 B10R1.16 CCCCc1cnn(n1)C 271570a_100020621405_100000733932 [0,1,0,1,0,0|2,0,0]=4 7766 B10R1.16 CCCCc1csc(c1)C 271570a_100020621405_100000759034 [0,1,0,1,0,0|0,1,0]=3 7767 B10R1.16 CCCCc1csc(n1)C 271570a_100020621405_100011934587 [0,1,0,1,0,0|1,0,0]=3 7768 B10R1.16 CCCCc1csc(n1)N 271570a_100020621405_100011998049 [0,1,0,1,0,0|2,0,0]=4 7769 B10R1.16 CCCCc1n[nH]c(n1)C 271570a_100020621405_100000732540 [0,1,0,1,0,0|2,0,0]=4 7770 B10R1.16 CCCCc1nc(c[nH]1)C 271570a_100020621405_100161115468 [0,1,0,1,0,0|1,0,0]=3 7771 B10R1.16 CCCCc1nc(cs1)Br 271570a_100020621405_200016082925 [0,1,0,1,0,0|2,0,0]=4 7772 B10R1.16 CCCCc1nc(cs1)C 271570a_100020621405_100011291629 [0,1,0,1,0,0|1,0,0]=3 7773 B10R1.16 CCCCc1nc(cs1)N 271570a_100020621405_200015188442 [0,1,0,1,0,0|2,0,0]=4 7774 B10R1.16 CCCCc1nc(no1)C 270196a_100000212224_100000210183 [0,1,0,1,0,0|1,0,1]=4 7775 B10R1.16 CCCCc1nc(ns1)C 271570a_100020621405_100000709739 [0,1,0,1,0,0|1,1,0]=4 7776 B10R1.16 CCCCc1ncc(s1)C 271570a_100020621405_100000690809 [0,1,0,1,0,0|0,1,0]=3 7777 B10R1.16 CCCCc1ncn(n1)C 271570a_100020621405_100009819955 [0,1,0,1,0,0|2,0,0]=4 7778 B10R1.16 CCCCc1nnc(o1)C 271570a_100020621405_100000708914 [0,1,0,1,0,0|1,0,1]=4 7779 B10R1.16 CCCCc1nnc(s1)C 271570a_100020621405_100000686958 [0,1,0,1,0,0|1,1,0]=4 7780 B10R1.16 CCCCc1noc(n1)C 270196a_100011193411_100000070787 [0,1,0,1,0,0|1,0,1]=4 7781 B10R1.16 CCCCc1noc(n1)C 271570a_100020621405_100012003639 [0,1,0,1,0,0|1,0,1]=4 7782 B10R1.16 CCCCn1cc(nn1)C 274090a_100000210209_200000242740 [0,1,0,1,0,0|2,0,0]=4 7783 B10R1.16 CCCOc1ccn(n1)C 34a_100012642153_100000210303 [0,1,0,1,0,0|2,0,0]=4 7784 B10R1.16 CCCSc1c[nH]c(n1)C 62a_100000210303_100009814057 [0,1,0,1,0,0|2,0,0]=4 7785 B10R1.16 CCCSc1c[nH]c(n1)C 62a_100009814057_100000210303 [0,1,0,1,0,0|2,0,0]=4 7786 B10R1.16 CCCSc1cc([nH]n1)C 62a_100000210303_100009819999 [0,1,0,1,0,0|2,0,0]=4 7787 B10R1.16 CCCSc1cc([nH]n1)C 62a_100009819999_100000210303 [0,1,0,1,0,0|2,0,0]=4 7788 B10R1.16 CCCSc1cc(cs1)C 62a_100000210303_100009876951 [0,1,0,1,0,0|1,1,0]=4 7789 B10R1.16 CCCSc1cc(cs1)C 62a_100009876951_100000210303 [0,1,0,1,0,0|1,1,0]=4 7790 B10R1.16 CCCSc1cc(ns1)C 62a_100000210303_100009815735 [0,1,0,1,0,0|1,1,0]=4 7791 B10R1.16 CCCSc1cc(ns1)C 62a_100009815735_100000210303 [0,1,0,1,0,0|1,1,0]=4 7792 B10R1.16 CCCSc1cc(on1)C 62a_100000210303_100000716708 [0,1,0,1,0,0|1,0,1]=4 7793 B10R1.16 CCCSc1cc(on1)C 62a_100000716708_100000210303 [0,1,0,1,0,0|1,0,1]=4 7794 B10R1.16 CCCSc1ccc(s1)C 62a_100000031368_100000210303 [0,1,0,1,0,0|1,1,0]=4 7795 B10R1.16 CCCSc1ccc(s1)C 62a_100000210303_100000031368 [0,1,0,1,0,0|1,1,0]=4 7796 B10R1.16 CCCSc1ccn(n1)C 62a_100000210303_100000752436 [0,1,0,1,0,0|2,0,0]=4 7797 B10R1.16 CCCSc1ccn(n1)C 62a_100000752436_100000210303 [0,1,0,1,0,0|2,0,0]=4 7798 B10R1.16 CCCSc1cnc(s1)C 62a_100000210303_100000764884 [0,1,0,1,0,0|1,1,0]=4 7799 B10R1.16 CCCSc1cnc(s1)C 62a_100000764884_100000210303 [0,1,0,1,0,0|1,1,0]=4 7800 B10R1.16 CCCSc1csc(c1)C 62a_100000210303_100000759034 [0,1,0,1,0,0|1,1,0]=4 7801 B10R1.16 CCCSc1csc(c1)C 62a_100000759034_100000210303 [0,1,0,1,0,0|1,1,0]=4 7802 B10R1.16 CCCSc1csc(n1)C 62a_100000210303_100011934587 [0,1,0,1,0,0|2,0,0]=4 7803 B10R1.16 CCCSc1csc(n1)C 62a_100011934587_100000210303 [0,1,0,1,0,0|2,0,0]=4 7804 B10R1.16 CCCSc1nc(c[nH]1)C 62a_100000210303_100161115468 [0,1,0,1,0,0|2,0,0]=4 7805 B10R1.16 CCCSc1nc(c[nH]1)C 62a_100161115468_100000210303 [0,1,0,1,0,0|2,0,0]=4 7806 B10R1.16 CCCSc1nc(cs1)C 62a_100000210303_100011291629 [0,1,0,1,0,0|2,0,0]=4 7807 B10R1.16 CCCSc1nc(cs1)C 62a_100011291629_100000210303 [0,1,0,1,0,0|2,0,0]=4 7808 B10R1.16 CCCSc1ncc(s1)C 62a_100000210303_100000690809 [0,1,0,1,0,0|1,1,0]=4 7809 B10R1.16 CCCSc1ncc(s1)C 62a_100000690809_100000210303 [0,1,0,1,0,0|1,1,0]=4 7810 B10R1.16 CCNCc1c[nH]c(n1)C 207a_100015525214_100011219055 [0,1,0,1,0,0|2,0,0]=4 7811 B10R1.16 CCNCc1cc(cs1)C 207a_100015525214_100102525248 [0,1,0,1,0,0|1,1,0]=4 7812 B10R1.16 CCNCc1cc(cs1)C 2230a_100015204214_100000210202 [0,1,0,1,0,0|1,1,0]=4 7813 B10R1.16 CCNCc1cc(cs1)C 270004a_100015525214_100102525248 [0,1,0,1,0,0|1,1,0]=4 7814 B10R1.16 CCNCc1cc(cs1)C 34a_100015204214_100000210202 [0,1,0,1,0,0|1,1,0]=4 7815 B10R1.16 CCNCc1cc(n[nH]1)C 207a_100015525214_100000028150 [0,1,0,1,0,0|2,0,0]=4 7816 B10R1.16 CCNCc1cc(n[nH]1)C 270004a_100015525214_100000028150 [0,1,0,1,0,0|2,0,0]=4 7817 B10R1.16 CCNCc1cc(no1)C 207a_100015525214_100011794430 [0,1,0,1,0,0|1,0,1]=4 7818 B10R1.16 CCNCc1cc(no1)C 2230a_100000745748_100000210202 [0,1,0,1,0,0|1,0,1]=4 7819 B10R1.16 CCNCc1cc(no1)C 2230a_100015525214_100000707947 [0,1,0,1,0,0|1,0,1]=4 7820 B10R1.16 CCNCc1cc(no1)C 270004a_100015525214_100011794430 [0,1,0,1,0,0|1,0,1]=4 7821 B10R1.16 CCNCc1cc(no1)C 34a_100000745748_100000210202 [0,1,0,1,0,0|1,0,1]=4 7822 B10R1.16 CCNCc1cc(on1)C 207a_100015525214_100011217994 [0,1,0,1,0,0|1,0,1]=4 7823 B10R1.16 CCNCc1cc(on1)C 2230a_100000745230_100000210202 [0,1,0,1,0,0|1,0,1]=4 7824 B10R1.16 CCNCc1cc(on1)C 2230a_100015525214_100000199038 [0,1,0,1,0,0|1,0,1]=4 7825 B10R1.16 CCNCc1cc(on1)C 270004a_100015525214_100011217994 [0,1,0,1,0,0|1,0,1]=4 7826 B10R1.16 CCNCc1cc(on1)C 34a_100000745230_100000210202 [0,1,0,1,0,0|1,0,1]=4 7827 B10R1.16 CCNCc1cc(sn1)C 207a_100015525214_200000100279 [0,1,0,1,0,0|1,1,0]=4 7828 B10R1.16 CCNCc1cc(sn1)C 270004a_100015525214_200000100279 [0,1,0,1,0,0|1,1,0]=4 7829 B10R1.16 CCNCc1ccc(o1)C 207a_100015525214_100000183696 [0,1,0,1,0,0|1,0,1]=4 7830 B10R1.16 CCNCc1ccc(o1)C 270004a_100015525214_100000183696 [0,1,0,1,0,0|1,0,1]=4 7831 B10R1.16 CCNCc1ccc(o1)C 34a_100011194323_100000210202 [0,1,0,1,0,0|1,0,1]=4 7832 B10R1.16 CCNCc1ccc(s1)C 207a_100015525214_100000211121 [0,1,0,1,0,0|1,1,0]=4 7833 B10R1.16 CCNCc1ccc(s1)C 2230a_100000238518_100000210202 [0,1,0,1,0,0|1,1,0]=4 7834 B10R1.16 CCNCc1ccc(s1)C 270004a_100015525214_100000211121 [0,1,0,1,0,0|1,1,0]=4 7835 B10R1.16 CCNCc1ccn(n1)C 207a_100015525214_100000750880 [0,1,0,1,0,0|2,0,0]=4 7836 B10R1.16 CCNCc1ccn(n1)C 2230a_100015525214_100000726502 [0,1,0,1,0,0|2,0,0]=4 7837 B10R1.16 CCNCc1ccn(n1)C 2230a_100020636201_100000210202 [0,1,0,1,0,0|2,0,0]=4 7838 B10R1.16 CCNCc1ccn(n1)C 270004a_100015525214_100000750880 [0,1,0,1,0,0|2,0,0]=4 7839 B10R1.16 CCNCc1ccn(n1)C 34a_100020636201_100000210202 [0,1,0,1,0,0|2,0,0]=4 7840 B10R1.16 CCNCc1cnc(o1)C 207a_100015525214_100000084308 [0,1,0,1,0,0|1,0,1]=4 7841 B10R1.16 CCNCc1cnc(o1)C 270004a_100015525214_100000084308 [0,1,0,1,0,0|1,0,1]=4 7842 B10R1.16 CCNCc1cnc(s1)C 207a_100015525214_100000740557 [0,1,0,1,0,0|1,1,0]=4 7843 B10R1.16 CCNCc1cnc(s1)C 2230a_100015525214_100020635045 [0,1,0,1,0,0|1,1,0]=4 7844 B10R1.16 CCNCc1cnc(s1)C 2230a_200000743601_100000210202 [0,1,0,1,0,0|1,1,0]=4 7845 B10R1.16 CCNCc1cnc(s1)C 270004a_100015525214_100000740557 [0,1,0,1,0,0|1,1,0]=4 7846 B10R1.16 CCNCc1coc(n1)C 207a_100015525214_100011361629 [0,1,0,1,0,0|2,0,0]=4 7847 B10R1.16 CCNCc1coc(n1)C 270004a_100015525214_100011361629 [0,1,0,1,0,0|2,0,0]=4 7848 B10R1.16 CCNCc1csc(c1)C 207a_100015525214_100011998532 [0,1,0,1,0,0|1,1,0]=4 7849 B10R1.16 CCNCc1csc(c1)C 270004a_100015525214_100011998532 [0,1,0,1,0,0|1,1,0]=4 7850 B10R1.16 CCNCc1csc(n1)C 207a_100015525214_100000203724 [0,1,0,1,0,0|2,0,0]=4 7851 B10R1.16 CCNCc1csc(n1)C 2230a_100015525214_100015186478 [0,1,0,1,0,0|2,0,0]=4 7852 B10R1.16 CCNCc1csc(n1)C 270004a_100015525214_100000203724 [0,1,0,1,0,0|2,0,0]=4 7853 B10R1.16 CCNCc1csc(n1)C 34a_100000707933_100000210202 [0,1,0,1,0,0|2,0,0]=4 7854 B10R1.16 CCNCc1nc(c[nH]1)C 207a_100015525214_100000082322 [0,1,0,1,0,0|2,0,0]=4 7855 B10R1.16 CCNCc1nc(c[nH]1)C 270004a_100015525214_100000082322 [0,1,0,1,0,0|2,0,0]=4 7856 B10R1.16 CCNCc1nc(cs1)C 207a_100015525214_100000756994 [0,1,0,1,0,0|2,0,0]=4 7857 B10R1.16 CCNCc1nc(cs1)C 2230a_100015183719_100000210202 [0,1,0,1,0,0|2,0,0]=4 7858 B10R1.16 CCNCc1nc(cs1)C 270004a_100015525214_100000756994 [0,1,0,1,0,0|2,0,0]=4 7859 B10R1.16 CCNCc1ncc(o1)C 2230a_100138411809_100000210202 [0,1,0,1,0,0|1,0,1]=4 7860 B10R1.16 CCNCc1ncc(o1)C 34a_100138411809_100000210202 [0,1,0,1,0,0|1,0,1]=4 7861 B10R1.16 CCNCc1ncc(s1)C 207a_100015525214_100011361622 [0,1,0,1,0,0|1,1,0]=4 7862 B10R1.16 CCNCc1ncc(s1)C 270004a_100015525214_100011361622 [0,1,0,1,0,0|1,1,0]=4 7863 B10R1.16 CCOCc1cc(cs1)C 34a_200000068372_100000210202 [0,1,0,1,0,0|1,1,0]=4 7864 B10R1.16 CCOCc1cc(cs1)C 7a_200000068372_100000210202 [0,1,0,1,0,0|1,1,0]=4 7865 B10R1.16 CCOCc1cc(no1)C 34a_100000684692_100000210202 [0,1,0,1,0,0|1,0,1]=4 7866 B10R1.16 CCOCc1cc(no1)C 34a_100121572206_100000707947 [0,1,0,1,0,0|1,0,1]=4 7867 B10R1.16 CCOCc1cc(on1)C 34a_100011216401_100000210202 [0,1,0,1,0,0|1,0,1]=4 7868 B10R1.16 CCOCc1cc(on1)C 34a_100121572206_100000199038 [0,1,0,1,0,0|1,0,1]=4 7869 B10R1.16 CCOCc1ccc(o1)C 34a_100011232665_100000210202 [0,1,0,1,0,0|1,0,1]=4 7870 B10R1.16 CCOCc1ccc(o1)C 7a_100011232665_100000210202 [0,1,0,1,0,0|1,0,1]=4 7871 B10R1.16 CCOCc1ccc(s1)C 34a_100000238367_100000210202 [0,1,0,1,0,0|1,1,0]=4 7872 B10R1.16 CCOCc1ccn(n1)C 34a_100000744484_100000210202 [0,1,0,1,0,0|2,0,0]=4 7873 B10R1.16 CCOCc1ccn(n1)C 34a_100121572206_100000726502 [0,1,0,1,0,0|2,0,0]=4 7874 B10R1.16 CCOCc1cnc(s1)C 34a_100121572206_100020635045 [0,1,0,1,0,0|1,1,0]=4 7875 B10R1.16 CCOCc1cnc(s1)C 7a_100000743366_100000210202 [0,1,0,1,0,0|1,1,0]=4 7876 B10R1.16 CCOCc1coc(n1)C 34a_100012017233_100000210202 [0,1,0,1,0,0|2,0,0]=4 7877 B10R1.16 CCOCc1csc(n1)C 34a_100000735831_100000210202 [0,1,0,1,0,0|2,0,0]=4 7878 B10R1.16 CCOCc1csc(n1)C 34a_100121572206_100015186478 [0,1,0,1,0,0|2,0,0]=4 7879 B10R1.16 CCSCc1cc(no1)C 62a_100000210202_100000707947 [0,1,0,1,0,0|1,0,1]=4 7880 B10R1.16 CCSCc1cc(no1)C 62a_100000707947_100000210202 [0,1,0,1,0,0|1,0,1]=4 7881 B10R1.16 CCSCc1cc(on1)C 62a_100000199038_100000210202 [0,1,0,1,0,0|1,0,1]=4 7882 B10R1.16 CCSCc1cc(on1)C 62a_100000210202_100000199038 [0,1,0,1,0,0|1,0,1]=4 7883 B10R1.16 CCSCc1ccn(n1)C 62a_100000210202_100000726502 [0,1,0,1,0,0|2,0,0]=4 7884 B10R1.16 CCSCc1ccn(n1)C 62a_100000726502_100000210202 [0,1,0,1,0,0|2,0,0]=4 7885 B10R1.16 CCSCc1cnc(s1)C 62a_100000210202_100020635045 [0,1,0,1,0,0|1,1,0]=4 7886 B10R1.16 CCSCc1cnc(s1)C 62a_100020635045_100000210202 [0,1,0,1,0,0|1,1,0]=4 7887 B10R1.16 CCSCc1csc(n1)C 62a_100000210202_100015186478 [0,1,0,1,0,0|2,0,0]=4 7888 B10R1.16 CCSCc1csc(n1)C 62a_100015186478_100000210202 [0,1,0,1,0,0|2,0,0]=4 7889 B10R1.16 CNCCc1ccc(o1)C 2230a_100000739271_200000210301 [0,1,0,1,0,0|1,0,1]=4 7890 B10R1.16 CNCCc1ccc(o1)C 34a_100000739271_200000210301 [0,1,0,1,0,0|1,0,1]=4 7891 B10R1.16 CNCCc1csc(n1)C 2230a_102495365028_200000210301 [0,1,0,1,0,0|2,0,0]=4 7892 B10R1.16 CNCCc1csc(n1)C 2230a_106832991635_100000695623 [0,1,0,1,0,0|2,0,0]=4 7893 B10R1.16 CNCCc1csc(n1)C 34a_100102657272_100000695623 [0,1,0,1,0,0|2,0,0]=4 7894 B10R1.16 CNCCc1csc(n1)C 34a_102495365028_200000210301 [0,1,0,1,0,0|2,0,0]=4 7895 B10R1.16 CNCCc1csc(n1)C 7a_106832991635_100000695623 [0,1,0,1,0,0|2,0,0]=4 7896 B10R1.16 CNCCc1nc(cs1)C 2230a_100000736835_200000210301 [0,1,0,1,0,0|2,0,0]=4 7897 B10R1.16 COCCc1ccc(o1)C 34a_100012161071_200000210301 [0,1,0,1,0,0|1,0,1]=4 7898 B10R1.16 COCCc1ccc(o1)C 7a_100012161071_200000210301 [0,1,0,1,0,0|1,0,1]=4 7899 B10R1.16 COCCc1csc(n1)C 34a_100011934828_200000210301 [0,1,0,1,0,0|2,0,0]=4 7900 B10R1.16 COCCc1csc(n1)C 34a_100138415774_100000695623 [0,1,0,1,0,0|2,0,0]=4 7901 B10R1.16 CSCCc1csc(n1)C 62a_100000695623_200000210301 [0,1,0,1,0,0|2,0,0]=4 7902 B10R1.16 CSCCc1csc(n1)C 62a_200000210301_100000695623 [0,1,0,1,0,0|2,0,0]=4 7903 B10R1.16 Cc1ccc(o1)CCN[13CH3] 2230a_100000739271_200025704644 [0,1,0,1,0,0|1,0,1]=4 7904 B10R1.16 Cc1ccc(o1)CCN[13CH3] 34a_100000739271_200025704644 [0,1,0,1,0,0|1,0,1]=4 7905 B10R1.16 Cc1ccc(o1)CCO[13CH3] 34a_100012161071_200025704644 [0,1,0,1,0,0|1,0,1]=4 7906 B10R1.16 Cc1ccc(o1)CCO[13CH3] 7a_100012161071_200025704644 [0,1,0,1,0,0|1,0,1]=4 7907 B10R1.16 Cc1csc(n1)CCN[13CH3] 2230a_100000736835_200025704644 [0,1,0,1,0,0|2,0,0]=4 7908 B10R1.16 Cc1nc(cs1)CCN[13CH3] 2230a_102495365028_200025704644 [0,1,0,1,0,0|2,0,0]=4 7909 B10R1.16 Cc1nc(cs1)CCN[13CH3] 34a_102495365028_200025704644 [0,1,0,1,0,0|2,0,0]=4 7910 B10R1.16 Cc1nc(cs1)CCO[13CH3] 34a_100011934828_200025704644 [0,1,0,1,0,0|2,0,0]=4 7911 B10R1.16 Cc1nc(cs1)CCS[13CH3] 62a_100000695623_200025704644 [0,1,0,1,0,0|2,0,0]=4 7912 B10R1.16 Cc1nc(cs1)CCS[13CH3] 62a_200025704644_100000695623 [0,1,0,1,0,0|2,0,0]=4 7913 B10R1.18 CC(=O)C=C1CCCCC1 1458a_100000743792_200000210301 [0,1,0,1,0,0|1,0,0]=3 7914 B10R1.18 CC(=O)C=C1CCOCC1 1458a_100000761426_200000210301 [0,1,0,1,0,0|2,0,0]=4 7915 B10R1.18 CC(=O)CC1=CCCCC1 1458a_100000039269_200000210301 [0,1,0,1,0,0|1,0,1]=4 7916 B10R1.18 [13CH3]C(=O)C=C1CCCCC1 1458a_100000743792_200025704644 [0,1,0,1,0,0|1,0,0]=3 7917 B10R1.18 [13CH3]C(=O)C=C1CCOCC1 1458a_100000761426_200025704644 [0,1,0,1,0,0|2,0,0]=4 7918 B10R1.18 [13CH3]C(=O)CC1=CCCCC1 1458a_100000039269_200025704644 [0,1,0,1,0,0|1,0,1]=4 7919 B10R1.61 CC(=O)C1CCCCC1=O 1458a_100000070787_100000204591 [0,1,0,1,0,0|0,0,1]=3 7920 B10R1.61 CC(=O)C1CCCNC1=O 1458a_100000070787_100000687798 [0,1,0,1,0,0|1,0,1]=4 7921 B10R1.61 CC(=O)C1CCCNC1=O 1458a_100000087122_200000210301 [0,1,0,1,0,0|1,0,1]=4 7922 B10R1.61 CC(=O)C1COCCC1=O 1458a_100000070787_100012180262 [0,1,0,1,0,0|1,0,1]=4 7923 B10R1.61 CN(C)C1CCCCC1=O 269982a_100102631434_100000204591 [0,1,0,1,0,0|1,0,1]=4 7924 B10R1.61 [13CH3]C(=O)C1CCCNC1=O 1458a_100000087122_200025704644 [0,1,0,1,0,0|1,0,1]=4 7925 B10R1.110 C=C(C)CC(=O)C1CC1C 1458a_100000211227_100000748629 [0,1,0,1,0,0|0,0,1]=3 7926 B10R1.110 C=C(C)CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000748629 [0,1,0,1,0,0|1,0,1]=4 7927 B10R1.110 C=C(F)CC(=O)C1CC1C 1458a_100000211227_100009893438 [0,1,0,1,0,0|0,0,2]=4 7928 B10R1.110 CC(C)CC(=O)C1CC1C 1458a_100000211227_100000210624 [0,1,0,1,0,0|0,0,2]=4 7929 B10R1.110 CC(C)NC(=O)C1CC1C 11a_100138425928_100000211227 [0,1,0,1,0,0|1,0,1]=4 7930 B10R1.110 CC(C)NC(=O)C1CC1C 1626a_100138425928_100000211227 [0,1,0,1,0,0|1,0,1]=4 7931 B10R1.110 CC(C)NC(=O)C1CC1C 527a_100138425928_100000211227 [0,1,0,1,0,0|1,0,1]=4 7932 B10R1.110 CC(O)CC(=O)C1CC1C 1458a_100000211227_100011218427 [0,1,0,1,0,0|0,0,2]=4 7933 B10R1.110 CC1CC1C(=O)CC(=O)N 1458a_100000211227_100000187820 [0,1,0,1,0,0|1,0,1]=4 7934 B10R1.110 CC1CC1C(=O)CC(=O)[O-] 1458a_100000211227_100020667443 [0,1,0,1,0,0|1,0,1]=4 7935 B10R1.130 CCNC1CC(=O)NC1=O 2230a_100102712934_100000210202 [0,1,0,1,0,0|2,0,0]=4 7936 B10R1.180 C/C=C/CC(=O)CC1CC1 1458a_100000738066_100102629194 [0,1,0,1,0,0|0,0,0]=2 7937 B10R1.180 C/C=C/CN(C)CC1CC1 269982a_100000741881_100102629194 [0,1,0,1,0,0|2,0,0]=4 7938 B10R1.180 C=CC=CC(=O)CC1CC1 1458a_100016291481_100000742324 [0,1,0,1,0,0|0,0,1]=3 7939 B10R1.180 C=CC=CC(=O)CC1CO1 1458a_100016291481_100011216344 [0,1,0,1,0,0|1,0,1]=4 7940 B10R1.180 C=CC=CC(=O)CC1CS1 1458a_100016291481_100000031435 [0,1,0,1,0,0|1,0,1]=4 7941 B10R1.180 C=CC=CC(=O)C[C@@H]1CO1 1458a_100016291481_100000745022 [0,1,0,1,0,0|1,0,1]=4 7942 B10R1.180 C=CC=CC(=O)NC1CC1 1626a_100000212008_100016291481 [0,1,0,1,0,0|1,0,1]=4 7943 B10R1.180 C=CCCC(=O)CC1CC1 1458a_100000738066_100000754431 [0,1,0,1,0,0|0,0,2]=4 7944 B10R1.180 C=CCCC(=O)CC1CC1 1458a_100000749702_100000742324 [0,1,0,1,0,0|0,0,2]=4 7945 B10R1.180 C=CCNC(=O)CC1CC1 1626a_100020586998_100000738066 [0,1,0,1,0,0|0,0,2]=4 7946 B10R1.180 C=CCNC(=O)CC1CC1 240690a_100020586998_100000738066 [0,1,0,1,0,0|0,0,2]=4 7947 B10R1.180 C=CCNC(=O)CC1CC1 527a_100020586998_100000738066 [0,1,0,1,0,0|0,0,2]=4 7948 B10R1.180 CC#CCC(=O)CC1CC1 1458a_100000738066_100000748600 [0,1,0,1,0,0|0,0,2]=4 7949 B10R1.180 CC=CCC(=O)CC1CC1 1458a_100000738066_100000070051 [0,1,0,1,0,0|0,0,0]=2 7950 B10R1.180 CC=CCC(=O)CC1CC1 1458a_100121576822_100000742324 [0,1,0,1,0,0|0,0,0]=2 7951 B10R1.180 CC=CCC(=O)CC1CO1 1458a_100121576822_100011216344 [0,1,0,1,0,0|1,0,0]=3 7952 B10R1.180 CC=CCC(=O)CC1CS1 1458a_100121576822_100000031435 [0,1,0,1,0,0|1,0,0]=3 7953 B10R1.180 CC=CCC(=O)C[C@@H]1CO1 1458a_100121576822_100000745022 [0,1,0,1,0,0|1,0,0]=3 7954 B10R1.180 CC=CCC(=O)NC1CC1 1626a_100000212008_100121576822 [0,1,0,1,0,0|1,0,0]=3 7955 B10R1.180 CC=CCC(=O)NC1CC1 240690a_100000212008_100121576822 [0,1,0,1,0,0|1,0,0]=3 7956 B10R1.180 CC=CCC(=O)NC1CC1 527a_100000212008_100121576822 [0,1,0,1,0,0|1,0,0]=3 7957 B10R1.180 CC=CCN(C)CC1CC1 2230a_100000741881_100000070051 [0,1,0,1,0,0|2,0,0]=4 7958 B10R1.180 CCC#CC(=O)CC1CC1 1458a_100011827653_100000742324 [0,1,0,1,0,0|0,0,2]=4 7959 B10R1.180 CCC=CC(=O)CC1CC1 1458a_100000212282_100000742324 [0,1,0,1,0,0|0,0,0]=2 7960 B10R1.180 CCC=CC(=O)CC1CO1 1458a_100000212282_100011216344 [0,1,0,1,0,0|1,0,0]=3 7961 B10R1.180 CCC=CC(=O)CC1CS1 1458a_100000212282_100000031435 [0,1,0,1,0,0|1,0,0]=3 7962 B10R1.180 CCC=CC(=O)C[C@@H]1CO1 1458a_100000212282_100000745022 [0,1,0,1,0,0|1,0,0]=3 7963 B10R1.180 CCC=CC(=O)NC1CC1 1626a_100000212008_100000212282 [0,1,0,1,0,0|1,0,0]=3 7964 B10R1.180 CCC=CC(=O)NC1CC1 240690a_100000212008_100000212282 [0,1,0,1,0,0|1,0,0]=3 7965 B10R1.180 CCCCC(=O)CC1CC1 1458a_100000210183_100000742324 [0,1,0,1,0,0|0,0,2]=4 7966 B10R1.180 CCCCC(=O)CC1CC1 1458a_100000738066_100000210211 [0,1,0,1,0,0|0,0,2]=4 7967 B10R1.180 CCCCC(=O)CC1CO1 1458a_100000210183_100011216344 [0,1,0,1,0,0|0,0,2]=4 7968 B10R1.180 CCCCC(=O)CC1CS1 1458a_100000210183_100000031435 [0,1,0,1,0,0|0,0,2]=4 7969 B10R1.180 CCCCC(=O)C[C@@H]1CO1 1458a_100000210183_100000745022 [0,1,0,1,0,0|0,0,2]=4 7970 B10R1.180 CCCCC(=O)NC1CC1 1626a_100000212008_100000210183 [0,1,0,1,0,0|0,0,2]=4 7971 B10R1.180 CCCCC(=O)NC1CC1 240690a_100000212008_100000210183 [0,1,0,1,0,0|0,0,2]=4 7972 B10R1.180 CCCCC(=O)NC1CC1 527a_100000212008_100000210183 [0,1,0,1,0,0|0,0,2]=4 7973 B10R1.180 CCCNC(=O)CC1CC1 11a_100020643023_100000738066 [0,1,0,1,0,0|0,0,2]=4 7974 B10R1.180 CCCNC(=O)CC1CC1 1626a_100020643023_100000738066 [0,1,0,1,0,0|0,0,2]=4 7975 B10R1.180 CCCNC(=O)CC1CC1 240690a_100020643023_100000738066 [0,1,0,1,0,0|0,0,2]=4 7976 B10R1.180 CCCNC(=O)CC1CC1 527a_100020643023_100000738066 [0,1,0,1,0,0|0,0,2]=4 7977 B10R1.180 CCNNC(=O)CC1CC1 22a_100000756455_100000738066 [0,1,0,1,0,0|1,0,1]=4 7978 B10R1.180 CCOCC(=O)CC1CC1 1458a_100000211967_100000742324 [0,1,0,1,0,0|0,0,2]=4 7979 B10R1.180 CCSCC(=O)CC1CC1 1458a_100000230394_100000742324 [0,1,0,1,0,0|0,0,2]=4 7980 B10R1.180 COC=CC(=O)CC1CC1 1458a_100016268678_100000742324 [0,1,0,1,0,0|0,0,0]=2 7981 B10R1.180 COC=CC(=O)CC1CO1 1458a_100016268678_100011216344 [0,1,0,1,0,0|1,0,0]=3 7982 B10R1.180 COC=CC(=O)CC1CS1 1458a_100016268678_100000031435 [0,1,0,1,0,0|1,0,0]=3 7983 B10R1.180 COC=CC(=O)C[C@@H]1CO1 1458a_100016268678_100000745022 [0,1,0,1,0,0|1,0,0]=3 7984 B10R1.180 COC=CC(=O)NC1CC1 1626a_100000212008_100016268678 [0,1,0,1,0,0|1,0,0]=3 7985 B10R1.180 COC=CC(=O)NC1CC1 240690a_100000212008_100016268678 [0,1,0,1,0,0|1,0,0]=3 7986 B10R1.180 COCCC(=O)CC1CC1 1458a_100000738066_100000233755 [0,1,0,1,0,0|0,0,2]=4 7987 B10R1.180 COCCC(=O)CC1CC1 1458a_100000749529_100000742324 [0,1,0,1,0,0|0,0,2]=4 7988 B10R1.180 CSCCC(=O)CC1CC1 1458a_100000174002_100000742324 [0,1,0,1,0,0|0,0,2]=4 7989 B10R1.180 CSCCC(=O)CC1CC1 1458a_100000738066_100000751147 [0,1,0,1,0,0|0,0,2]=4 7990 B10R1.180 O=C(C#CCO)CC1CC1 1458a_100000049017_100000742324 [0,1,0,1,0,0|0,0,2]=4 7991 B10R1.180 O=C(CC1CC1)NCCF 11a_100000724931_100000738066 [0,1,0,1,0,0|1,0,1]=4 7992 B10R1.180 O=C(CC1CC1)NCCF 1626a_100000724931_100000738066 [0,1,0,1,0,0|1,0,1]=4 7993 B10R1.180 O=C(CC1CC1)NCCF 240690a_100000724931_100000738066 [0,1,0,1,0,0|1,0,1]=4 7994 B10R1.180 O=C(CC1CC1)NCCF 527a_100000724931_100000738066 [0,1,0,1,0,0|1,0,1]=4 7995 B10R1.180 O=C(CC1CC1)NCCO 240690a_100000210304_100000738066 [0,1,0,1,0,0|1,0,1]=4 7996 B10R1.180 O=C(CC1CC1)NCCO 527a_100000210304_100000738066 [0,1,0,1,0,0|1,0,1]=4 7997 B10R1.180 O=C(CCCF)CC1CC1 1458a_100000738066_100011934791 [0,1,0,1,0,0|0,0,2]=4 7998 B10R1.180 O=C(CCCO)CC1CC1 1458a_100000738066_100011215043 [0,1,0,1,0,0|0,0,2]=4 7999 B10R1.266 C=C(C)CC(=O)C1CCC1 1458a_100000209988_100000748629 [0,1,0,1,0,0|0,0,1]=3 8000 B10R1.266 C=C(C)CC(=O)C1CCO1 1458a_100000089072_100000748629 [0,1,0,1,0,0|1,0,1]=4 8001 B10R1.266 C=C(C)CC(=O)C1COC1 1458a_100000758290_100000748629 [0,1,0,1,0,0|1,0,1]=4 8002 B10R1.266 C=C(F)CC(=O)C1CCC1 1458a_100000209988_100009893438 [0,1,0,1,0,0|0,0,2]=4 8003 B10R1.266 CC(=CC(=O)C1CCC1)C 1458a_100000211388_100000749161 [0,1,0,1,0,0|0,0,0]=2 8004 B10R1.266 CC(=CC(=O)C1CCC1)Cl 1458a_200042562850_100000749161 [0,1,0,1,0,0|0,0,0]=2 8005 B10R1.266 CC(=CC(=O)C1CCC1)I 1458a_100025716642_100000749161 [0,1,0,1,0,0|0,0,0]=2 8006 B10R1.266 CC(=CC(=O)C1COC1)C 1458a_100000211388_100000687716 [0,1,0,1,0,0|1,0,0]=3 8007 B10R1.266 CC(=CC(=O)C1COC1)Cl 1458a_200042562850_100000687716 [0,1,0,1,0,0|1,0,0]=3 8008 B10R1.266 CC(=CC(=O)C1COC1)I 1458a_100025716642_100000687716 [0,1,0,1,0,0|1,0,0]=3 8009 B10R1.266 CC(=CC(=O)N1CCC1)C 11a_100000754969_100000211388 [0,1,0,1,0,0|1,0,0]=3 8010 B10R1.266 CC(=CC(=O)N1CCC1)C 240690a_100000754969_100000211388 [0,1,0,1,0,0|1,0,0]=3 8011 B10R1.266 CC(=CC(=O)N1CCC1)Cl 11a_100000754969_200042562850 [0,1,0,1,0,0|1,0,0]=3 8012 B10R1.266 CC(=CC(=O)N1CCC1)Cl 240690a_100000754969_200042562850 [0,1,0,1,0,0|1,0,0]=3 8013 B10R1.266 CC(=CC(=O)N1CCC1)I 11a_100000754969_100025716642 [0,1,0,1,0,0|1,0,0]=3 8014 B10R1.266 CC(=O)CC(=O)C1CCC1 1458a_100000070787_100000686122 [0,1,0,1,0,0|0,0,1]=3 8015 B10R1.266 CC(=O)CC(=O)N1CCC1 1458a_100000070787_100000185095 [0,1,0,1,0,0|1,0,1]=4 8016 B10R1.266 CC(C)CC(=O)C1CCC1 1458a_100000209988_100000210624 [0,1,0,1,0,0|0,0,2]=4 8017 B10R1.266 CC(C)CC(=O)C1CCC1 1458a_100000210554_100000749161 [0,1,0,1,0,0|0,0,2]=4 8018 B10R1.266 CC(C)NC(=O)C1CCC1 11a_100138425928_100000209988 [0,1,0,1,0,0|1,0,1]=4 8019 B10R1.266 CC(C)NC(=O)C1CCC1 1626a_100138425928_100000209988 [0,1,0,1,0,0|1,0,1]=4 8020 B10R1.266 CC(C)NC(=O)C1CCC1 240690a_100138425928_100000209988 [0,1,0,1,0,0|1,0,1]=4 8021 B10R1.266 CC(C)NC(=O)C1CCC1 527a_100138425928_100000209988 [0,1,0,1,0,0|1,0,1]=4 8022 B10R1.266 CC(O)CC(=O)C1CCC1 1458a_100000209988_100011218427 [0,1,0,1,0,0|0,0,2]=4 8023 B10R1.266 CN(C)CC(=O)C1CCC1 1458a_100000750896_100000749161 [0,1,0,1,0,0|1,0,1]=4 8024 B10R1.266 CN(C)CC(=O)C1CCC1 2230a_100102631434_100000686122 [0,1,0,1,0,0|1,0,1]=4 8025 B10R1.266 CN(C)CC(=O)C1CCC1 269982a_100102631434_100000686122 [0,1,0,1,0,0|1,0,1]=4 8026 B10R1.266 C[C@@H](O)CC(=O)C1CCC1 1458a_100011933948_100000749161 [0,1,0,1,0,0|0,0,2]=4 8027 B10R1.266 C[S+](C)CC(=O)C1CCC1 1458a_200159257847_100000749161 [0,1,0,1,0,0|1,0,1]=4 8028 B10R1.266 NC(=O)CC(=O)C1CCC1 1458a_100000209988_100000187820 [0,1,0,1,0,0|1,0,1]=4 8029 B10R1.266 NC(=O)CC(=O)C1CCC1 1458a_100134613110_100000749161 [0,1,0,1,0,0|1,0,1]=4 8030 B10R1.266 O=C(C=C(Cl)Cl)C1CCC1 1458a_100000137448_100000749161 [0,1,0,1,0,0|1,0,0]=3 8031 B10R1.266 O=C(C=C(Cl)Cl)C1COC1 1458a_100000137448_100000687716 [0,1,0,1,0,0|2,0,0]=4 8032 B10R1.266 O=C(C=C(Cl)Cl)N1CCC1 240690a_100000754969_100000137448 [0,1,0,1,0,0|2,0,0]=4 8033 B10R1.266 O=C([O-])CC(=O)C1CCC1 1458a_100000209988_100020667443 [0,1,0,1,0,0|1,0,1]=4 8034 B10R1.268 C=C(C)CC(=O)CC1CC1 1458a_100000738066_100000748629 [0,1,0,1,0,0|0,0,1]=3 8035 B10R1.268 C=C(F)CC(=O)CC1CC1 1458a_100000738066_100009893438 [0,1,0,1,0,0|0,0,2]=4 8036 B10R1.268 CC(=CC(=O)CC1CC1)C 1458a_100000211388_100000742324 [0,1,0,1,0,0|0,0,0]=2 8037 B10R1.268 CC(=CC(=O)CC1CC1)Cl 1458a_200042562850_100000742324 [0,1,0,1,0,0|0,0,0]=2 8038 B10R1.268 CC(=CC(=O)CC1CC1)I 1458a_100025716642_100000742324 [0,1,0,1,0,0|0,0,0]=2 8039 B10R1.268 CC(=CC(=O)CC1CO1)C 1458a_100000211388_100011216344 [0,1,0,1,0,0|1,0,0]=3 8040 B10R1.268 CC(=CC(=O)CC1CO1)Cl 1458a_200042562850_100011216344 [0,1,0,1,0,0|1,0,0]=3 8041 B10R1.268 CC(=CC(=O)CC1CO1)I 1458a_100025716642_100011216344 [0,1,0,1,0,0|1,0,0]=3 8042 B10R1.268 CC(=CC(=O)CC1CS1)C 1458a_100000211388_100000031435 [0,1,0,1,0,0|1,0,0]=3 8043 B10R1.268 CC(=CC(=O)CC1CS1)Cl 1458a_200042562850_100000031435 [0,1,0,1,0,0|1,0,0]=3 8044 B10R1.268 CC(=CC(=O)CC1CS1)I 1458a_100025716642_100000031435 [0,1,0,1,0,0|1,0,0]=3 8045 B10R1.268 CC(=CC(=O)C[C@@H]1CO1)C 1458a_100000211388_100000745022 [0,1,0,1,0,0|1,0,0]=3 8046 B10R1.268 CC(=CC(=O)C[C@@H]1CO1)Cl 1458a_200042562850_100000745022 [0,1,0,1,0,0|1,0,0]=3 8047 B10R1.268 CC(=CC(=O)C[C@@H]1CO1)I 1458a_100025716642_100000745022 [0,1,0,1,0,0|1,0,0]=3 8048 B10R1.268 CC(=CC(=O)NC1CC1)C 1626a_100000212008_100000211388 [0,1,0,1,0,0|1,0,0]=3 8049 B10R1.268 CC(=CC(=O)NC1CC1)C 240690a_100000212008_100000211388 [0,1,0,1,0,0|1,0,0]=3 8050 B10R1.268 CC(=CC(=O)NC1CC1)Cl 1626a_100000212008_200042562850 [0,1,0,1,0,0|1,0,0]=3 8051 B10R1.268 CC(=CC(=O)NC1CC1)Cl 240690a_100000212008_200042562850 [0,1,0,1,0,0|1,0,0]=3 8052 B10R1.268 CC(=CC(=O)NC1CC1)I 1626a_100000212008_100025716642 [0,1,0,1,0,0|1,0,0]=3 8053 B10R1.268 CC(=O)CC(=O)NC1CC1 1458a_100000070787_100000182950 [0,1,0,1,0,0|1,0,1]=4 8054 B10R1.268 CC(=O)CS(=O)CC1CC1 1458a_100011387478_200000210301 [0,1,0,1,0,0|1,0,1]=4 8055 B10R1.268 CC(C)CC(=O)CC1CC1 1458a_100000210554_100000742324 [0,1,0,1,0,0|0,0,2]=4 8056 B10R1.268 CC(C)CC(=O)CC1CC1 1458a_100000738066_100000210624 [0,1,0,1,0,0|0,0,2]=4 8057 B10R1.268 CC(C)NC(=O)CC1CC1 11a_100138425928_100000738066 [0,1,0,1,0,0|1,0,1]=4 8058 B10R1.268 CC(C)NC(=O)CC1CC1 1626a_100138425928_100000738066 [0,1,0,1,0,0|1,0,1]=4 8059 B10R1.268 CC(C)NC(=O)CC1CC1 240690a_100138425928_100000738066 [0,1,0,1,0,0|1,0,1]=4 8060 B10R1.268 CC(C)NC(=O)CC1CC1 527a_100138425928_100000738066 [0,1,0,1,0,0|1,0,1]=4 8061 B10R1.268 CC(O)CC(=O)CC1CC1 1458a_100000738066_100011218427 [0,1,0,1,0,0|0,0,2]=4 8062 B10R1.268 CN(C)CC(=O)CC1CC1 1458a_100000750896_100000742324 [0,1,0,1,0,0|1,0,1]=4 8063 B10R1.268 C[C@@H](O)CC(=O)CC1CC1 1458a_100011933948_100000742324 [0,1,0,1,0,0|0,0,2]=4 8064 B10R1.268 C[S+](C)CC(=O)CC1CC1 1458a_200159257847_100000742324 [0,1,0,1,0,0|1,0,1]=4 8065 B10R1.268 NC(=O)CC(=O)CC1CC1 1458a_100000738066_100000187820 [0,1,0,1,0,0|1,0,1]=4 8066 B10R1.268 NC(=O)CC(=O)CC1CC1 1458a_100134613110_100000742324 [0,1,0,1,0,0|1,0,1]=4 8067 B10R1.268 O=C(C=C(Cl)Cl)CC1CC1 1458a_100000137448_100000742324 [0,1,0,1,0,0|1,0,0]=3 8068 B10R1.268 O=C(C=C(Cl)Cl)CC1CO1 1458a_100000137448_100011216344 [0,1,0,1,0,0|2,0,0]=4 8069 B10R1.268 O=C(C=C(Cl)Cl)CC1CS1 1458a_100000137448_100000031435 [0,1,0,1,0,0|2,0,0]=4 8070 B10R1.268 O=C(C=C(Cl)Cl)C[C@@H]1CO1 1458a_100000137448_100000745022 [0,1,0,1,0,0|2,0,0]=4 8071 B10R1.268 O=C(C=C(Cl)Cl)NC1CC1 1626a_100000212008_100000137448 [0,1,0,1,0,0|2,0,0]=4 8072 B10R1.268 O=C(C=C(Cl)Cl)NC1CC1 240690a_100000212008_100000137448 [0,1,0,1,0,0|2,0,0]=4 8073 B10R1.268 O=C([O-])CC(=O)CC1CC1 1458a_100000738066_100020667443 [0,1,0,1,0,0|1,0,1]=4 8074 B10R1.268 [13CH3]C(=O)CS(=O)CC1CC1 1458a_100011387478_200025704644 [0,1,0,1,0,0|1,0,1]=4 8075 B10R1.293 C/C=C/CC(=O)C1CC1C 1458a_100000211227_100102629194 [0,1,0,1,0,0|0,0,0]=2 8076 B10R1.293 C/C=C/CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100102629194 [0,1,0,1,0,0|1,0,0]=3 8077 B10R1.293 C=CCCC(=O)C1CC1C 1458a_100000211227_100000754431 [0,1,0,1,0,0|0,0,2]=4 8078 B10R1.293 C=CCNC(=O)C1CC1C 1626a_100020586998_100000211227 [0,1,0,1,0,0|0,0,2]=4 8079 B10R1.293 C=CCNC(=O)C1CC1C 527a_100020586998_100000211227 [0,1,0,1,0,0|0,0,2]=4 8080 B10R1.293 CC#CCC(=O)C1CC1C 1458a_100000211227_100000748600 [0,1,0,1,0,0|0,0,2]=4 8081 B10R1.293 CC1CC1C(=O)CCCF 1458a_100000211227_100011934791 [0,1,0,1,0,0|0,0,2]=4 8082 B10R1.293 CC1CC1C(=O)CCCO 1458a_100000211227_100011215043 [0,1,0,1,0,0|0,0,2]=4 8083 B10R1.293 CC1CC1C(=O)NCCF 11a_100000724931_100000211227 [0,1,0,1,0,0|1,0,1]=4 8084 B10R1.293 CC1CC1C(=O)NCCF 1626a_100000724931_100000211227 [0,1,0,1,0,0|1,0,1]=4 8085 B10R1.293 CC1CC1C(=O)NCCF 527a_100000724931_100000211227 [0,1,0,1,0,0|1,0,1]=4 8086 B10R1.293 CC1CC1C(=O)NCCO 527a_100000210304_100000211227 [0,1,0,1,0,0|1,0,1]=4 8087 B10R1.293 CC=CCC(=O)C1CC1C 1458a_100000211227_100000070051 [0,1,0,1,0,0|0,0,0]=2 8088 B10R1.293 CC=CCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000070051 [0,1,0,1,0,0|1,0,0]=3 8089 B10R1.293 CC=NNC(=O)C1CC1C 4a_100000189827_200000210099 [0,1,0,1,0,0|1,0,0]=3 8090 B10R1.293 CCCCC(=O)C1CC1C 1458a_100000211227_100000210211 [0,1,0,1,0,0|0,0,2]=4 8091 B10R1.293 CCCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210211 [0,1,0,1,0,0|0,0,2]=4 8092 B10R1.293 CCCNC(=O)C1CC1C 11a_100020643023_100000211227 [0,1,0,1,0,0|0,0,2]=4 8093 B10R1.293 CCCNC(=O)C1CC1C 1626a_100020643023_100000211227 [0,1,0,1,0,0|0,0,2]=4 8094 B10R1.293 CCCNC(=O)C1CC1C 527a_100020643023_100000211227 [0,1,0,1,0,0|0,0,2]=4 8095 B10R1.293 CCNNC(=O)C1CC1C 22a_100000756455_100000211227 [0,1,0,1,0,0|1,0,1]=4 8096 B10R1.293 COCCC(=O)C1CC1C 1458a_100000211227_100000233755 [0,1,0,1,0,0|0,0,2]=4 8097 B10R1.293 CSCCC(=O)C1CC1C 1458a_100000211227_100000751147 [0,1,0,1,0,0|0,0,2]=4 8098 B10R1.10 CCCN1CCC=C(C1)C 2230a_100000725631_100000210303 [0,1,0,1,0,0|1,0,1]=4 8099 B10R1.10 CCCN1CCC=C(C1)C 269982a_100000725631_100000210303 [0,1,0,1,0,0|1,0,1]=4 8100 B10R1.10 CCCN1CCC=C(C1)C 34a_100000725631_100000210303 [0,1,0,1,0,0|1,0,1]=4 8101 B10R1.10 CCCN1CCNC(=O)C1 2230a_100000184651_100000210303 [0,1,0,1,0,0|1,0,1]=4 8102 B10R1.10 CCCN1CCOC(=O)C1 2230a_100000131268_100000210303 [0,1,0,1,0,0|1,0,1]=4 8103 B10R1.10 CCNC1CCNC(=O)C1 2230a_100016994916_100000210202 [0,1,0,1,0,0|1,0,1]=4 8104 B10R1.10 CCNC1CCNC(=O)C1 34a_100016994916_100000210202 [0,1,0,1,0,0|1,0,1]=4 8105 B10R1.10 CCOC1CCCC(=O)C1 34a_100012613340_100000210202 [0,1,0,1,0,0|0,0,2]=4 8106 B10R1.10 CCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210202 [0,1,0,1,0,0|1,0,1]=4 8107 B10R1.10 COCC1CCNC(=O)C1 34a_100009886756_200000210301 [0,1,0,1,0,0|1,0,1]=4 8108 B10R1.10 [13CH3]OCC1CCNC(=O)C1 34a_100009886756_200025704644 [0,1,0,1,0,0|1,0,1]=4 8109 B10R1.11 C=CCC(=O)C1CCCC1 1458a_100000210193_100000179811 [0,1,0,1,0,0|0,0,2]=4 8110 B10R1.11 C=CCC(=O)C1CCCC1 1458a_100000210718_100000210623 [0,1,0,1,0,0|0,0,2]=4 8111 B10R1.11 C=CCC(=O)C1CCCS1 1458a_100012002731_100000210623 [0,1,0,1,0,0|0,0,2]=4 8112 B10R1.11 C=CCC(=O)C1CCOC1 1458a_100000210193_100000690089 [0,1,0,1,0,0|0,0,2]=4 8113 B10R1.11 C=CCC(=O)C1CCOC1 1458a_100011219752_100000210623 [0,1,0,1,0,0|0,0,2]=4 8114 B10R1.11 C=CCC(=O)N1CCCC1 240690a_100000188435_100000210193 [0,1,0,1,0,0|0,0,2]=4 8115 B10R1.11 C=CCC(=O)N1CCCC1 527a_100000188435_100000210193 [0,1,0,1,0,0|0,0,2]=4 8116 B10R1.11 C=CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210623 [0,1,0,1,0,0|0,0,2]=4 8117 B10R1.11 CC#CC(=O)C1CCCC1 1458a_100000763181_100000179811 [0,1,0,1,0,0|0,0,2]=4 8118 B10R1.11 CC#CC(=O)C1CCOC1 1458a_100000763181_100000690089 [0,1,0,1,0,0|0,0,2]=4 8119 B10R1.11 CC=CC(=O)C1CCCC1 1458a_100000210699_100000179811 [0,1,0,1,0,0|0,0,0]=2 8120 B10R1.11 CC=CC(=O)C1CCOC1 1458a_100000210699_100000690089 [0,1,0,1,0,0|0,0,0]=2 8121 B10R1.11 CC=CC(=O)N1CC=CC1 1626a_100015195280_100000210699 [0,1,0,1,0,0|0,0,2]=4 8122 B10R1.11 CC=CC(=O)N1CC=CC1 240690a_100015195280_100000210699 [0,1,0,1,0,0|0,0,2]=4 8123 B10R1.11 CC=CC(=O)N1CCCC1 240690a_100000188435_100000210699 [0,1,0,1,0,0|0,0,0]=2 8124 B10R1.11 CC=CC(=O)N1CCSC1 11a_100011215254_100000210699 [0,1,0,1,0,0|1,0,0]=3 8125 B10R1.11 CC=CC(=O)N1CCSC1 240690a_100011215254_100000210699 [0,1,0,1,0,0|1,0,0]=3 8126 B10R1.11 CCCC(=O)C1CCCC1 1458a_100000210718_100000210303 [0,1,0,1,0,0|0,0,2]=4 8127 B10R1.11 CCCC(=O)C1CCCC1 1458a_100000211992_100000179811 [0,1,0,1,0,0|0,0,2]=4 8128 B10R1.11 CCCC(=O)C1CCCS1 1458a_100012002731_100000210303 [0,1,0,1,0,0|0,0,2]=4 8129 B10R1.11 CCCC(=O)C1CCOC1 1458a_100000211992_100000690089 [0,1,0,1,0,0|0,0,2]=4 8130 B10R1.11 CCCC(=O)C1CCOC1 1458a_100011219752_100000210303 [0,1,0,1,0,0|0,0,2]=4 8131 B10R1.11 CCCC(=O)N1CCCC1 240690a_100000188435_100000211992 [0,1,0,1,0,0|0,0,2]=4 8132 B10R1.11 CCCC(=O)N1CCCC1 527a_100000188435_100000211992 [0,1,0,1,0,0|0,0,2]=4 8133 B10R1.11 CCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210303 [0,1,0,1,0,0|0,0,2]=4 8134 B10R1.11 CCNC(=O)C1CCCC1 11a_100015525214_100000210718 [0,1,0,1,0,0|1,0,1]=4 8135 B10R1.11 CCNC(=O)C1CCCC1 240690a_100015525214_100000210718 [0,1,0,1,0,0|1,0,1]=4 8136 B10R1.11 CCNC(=O)C1CCCC1 527a_100015525214_100000210718 [0,1,0,1,0,0|1,0,1]=4 8137 B10R1.11 CCNC(=O)C1CCCS1 11a_100015525214_100012002731 [0,1,0,1,0,0|1,0,1]=4 8138 B10R1.11 CCNC(=O)C1CCCS1 240690a_100015525214_100012002731 [0,1,0,1,0,0|1,0,1]=4 8139 B10R1.11 CCNC(=O)C1CCCS1 527a_100015525214_100012002731 [0,1,0,1,0,0|1,0,1]=4 8140 B10R1.11 CCNC(=O)C1CCOC1 11a_100015525214_100011219752 [0,1,0,1,0,0|1,0,1]=4 8141 B10R1.11 CCNC(=O)C1CCOC1 240690a_100015525214_100011219752 [0,1,0,1,0,0|1,0,1]=4 8142 B10R1.11 CCNC(=O)C1CCOC1 527a_100015525214_100011219752 [0,1,0,1,0,0|1,0,1]=4 8143 B10R1.11 CCNC(=O)N1CCCC1 2708a_100015525214_100000188435 [0,1,0,1,0,0|1,0,1]=4 8144 B10R1.11 CCNC(=O)N1CCCC1 273464a_100015525214_100000188435 [0,1,0,1,0,0|1,0,1]=4 8145 B10R1.11 CCNC(=O)[C@@H]1CCCO1 11a_100015525214_100000686382 [0,1,0,1,0,0|1,0,1]=4 8146 B10R1.11 CCNC(=O)[C@@H]1CCCO1 240690a_100015525214_100000686382 [0,1,0,1,0,0|1,0,1]=4 8147 B10R1.11 CCNC(=O)[C@@H]1CCCO1 527a_100015525214_100000686382 [0,1,0,1,0,0|1,0,1]=4 8148 B10R1.11 CNCC(=O)N1CCCC1 2230a_100000751844_200000210301 [0,1,0,1,0,0|1,0,1]=4 8149 B10R1.11 CNCC(=O)N1CCCC1 2230a_106832991635_100000183516 [0,1,0,1,0,0|1,0,1]=4 8150 B10R1.11 CNCC(=O)N1CCCC1 34a_100102657272_100000183516 [0,1,0,1,0,0|1,0,1]=4 8151 B10R1.11 CNCC(=O)N1CCCC1 7a_106832991635_100000183516 [0,1,0,1,0,0|1,0,1]=4 8152 B10R1.11 CNNC(=O)C1CCCC1 22a_100016993582_100000210718 [0,1,0,1,0,0|2,0,0]=4 8153 B10R1.11 CNNC(=O)C1CCCS1 22a_100016993582_100012002731 [0,1,0,1,0,0|2,0,0]=4 8154 B10R1.11 CNNC(=O)C1CCOC1 22a_100016993582_100011219752 [0,1,0,1,0,0|2,0,0]=4 8155 B10R1.11 CNNC(=O)[C@@H]1CCCO1 22a_100016993582_100000686382 [0,1,0,1,0,0|2,0,0]=4 8156 B10R1.11 COCC(=O)C1CCCC1 1458a_100000210968_100000179811 [0,1,0,1,0,0|1,0,1]=4 8157 B10R1.11 COCC(=O)C1CCOC1 1458a_100000210968_100000690089 [0,1,0,1,0,0|1,0,1]=4 8158 B10R1.11 COCC(=O)N1CCCC1 240690a_100000188435_100000210968 [0,1,0,1,0,0|1,0,1]=4 8159 B10R1.11 COCC(=O)N1CCCC1 34a_100138415774_100000183516 [0,1,0,1,0,0|1,0,1]=4 8160 B10R1.11 COCC(=O)N1CCCC1 527a_100000188435_100000210968 [0,1,0,1,0,0|1,0,1]=4 8161 B10R1.11 COCC(=O)N1CCCC1 7a_200000752455_200000210301 [0,1,0,1,0,0|1,0,1]=4 8162 B10R1.11 CSCC(=O)C1CCCC1 1458a_100000184570_100000179811 [0,1,0,1,0,0|1,0,1]=4 8163 B10R1.11 CSCC(=O)C1CCOC1 1458a_100000184570_100000690089 [0,1,0,1,0,0|1,0,1]=4 8164 B10R1.11 CSCC(=O)N1CCCC1 240690a_100000188435_100000184570 [0,1,0,1,0,0|1,0,1]=4 8165 B10R1.11 CSCC(=O)N1CCCC1 527a_100000188435_100000184570 [0,1,0,1,0,0|1,0,1]=4 8166 B10R1.11 CSCC(=O)N1CCCC1 62a_100000183516_200000210301 [0,1,0,1,0,0|1,0,1]=4 8167 B10R1.11 CSCC(=O)N1CCCC1 62a_200000210301_100000183516 [0,1,0,1,0,0|1,0,1]=4 8168 B10R1.11 O=C(C=CBr)C1CCCC1 1458a_100016273825_100000179811 [0,1,0,1,0,0|1,0,0]=3 8169 B10R1.11 O=C(C=CBr)C1CCOC1 1458a_100016273825_100000690089 [0,1,0,1,0,0|1,0,0]=3 8170 B10R1.11 O=C(C=CBr)N1CCCC1 240690a_100000188435_100016273825 [0,1,0,1,0,0|1,0,0]=3 8171 B10R1.11 O=C(C=CBr)N1CCSC1 240690a_100011215254_100016273825 [0,1,0,1,0,0|2,0,0]=4 8172 B10R1.11 O=C(C=CCl)C1CCCC1 1458a_200016279998_100000179811 [0,1,0,1,0,0|1,0,0]=3 8173 B10R1.11 O=C(C=CCl)C1CCOC1 1458a_200016279998_100000690089 [0,1,0,1,0,0|1,0,0]=3 8174 B10R1.11 O=C(C=CCl)N1CCCC1 240690a_100000188435_200016279998 [0,1,0,1,0,0|1,0,0]=3 8175 B10R1.11 O=C(C=CCl)N1CCSC1 11a_100011215254_200016279998 [0,1,0,1,0,0|2,0,0]=4 8176 B10R1.11 O=C(C=CCl)N1CCSC1 240690a_100011215254_200016279998 [0,1,0,1,0,0|2,0,0]=4 8177 B10R1.11 O=C(C=CI)C1CCCC1 1458a_100016256311_100000179811 [0,1,0,1,0,0|1,0,0]=3 8178 B10R1.11 O=C(C=CI)C1CCOC1 1458a_100016256311_100000690089 [0,1,0,1,0,0|1,0,0]=3 8179 B10R1.11 [13CH3]NCC(=O)N1CCCC1 2230a_100000751844_200025704644 [0,1,0,1,0,0|1,0,1]=4 8180 B10R1.11 [13CH3]OCC(=O)N1CCCC1 7a_200000752455_200025704644 [0,1,0,1,0,0|1,0,1]=4 8181 B10R1.11 [13CH3]SCC(=O)N1CCCC1 62a_100000183516_200025704644 [0,1,0,1,0,0|1,0,1]=4 8182 B10R1.11 [13CH3]SCC(=O)N1CCCC1 62a_200025704644_100000183516 [0,1,0,1,0,0|1,0,1]=4 8183 B10R1.19 CNC1CCCCCC1=O 7a_106832991635_100000243696 [0,1,0,1,0,0|1,0,1]=4 8184 B10R1.19 CNC1CCCCNC1=O 2230a_100000698827_200000210301 [0,1,0,1,0,0|1,0,1]=4 8185 B10R1.19 CNC1CCCCNC1=O 2230a_106832991635_100000735217 [0,1,0,1,0,0|1,0,1]=4 8186 B10R1.19 CNC1CCCCNC1=O 34a_100000698827_200000210301 [0,1,0,1,0,0|1,0,1]=4 8187 B10R1.19 CNC1CCCCNC1=O 7a_106832991635_100000735217 [0,1,0,1,0,0|1,0,1]=4 8188 B10R1.19 CSC1CCCCCC1=O 62a_100000243696_200000210301 [0,1,0,1,0,0|1,0,1]=4 8189 B10R1.19 CSC1CCCCCC1=O 62a_200000210301_100000243696 [0,1,0,1,0,0|1,0,1]=4 8190 B10R1.19 CSC1CCCCNC1=O 62a_100000735217_200000210301 [0,1,0,1,0,0|1,0,1]=4 8191 B10R1.19 CSC1CCCCNC1=O 62a_200000210301_100000735217 [0,1,0,1,0,0|1,0,1]=4 8192 B10R1.19 [13CH3]NC1CCCCNC1=O 2230a_100000698827_200025704644 [0,1,0,1,0,0|1,0,1]=4 8193 B10R1.19 [13CH3]NC1CCCCNC1=O 34a_100000698827_200025704644 [0,1,0,1,0,0|1,0,1]=4 8194 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_100000243696_200025704644 [0,1,0,1,0,0|1,0,1]=4 8195 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_200025704644_100000243696 [0,1,0,1,0,0|1,0,1]=4 8196 B10R1.19 [13CH3]SC1CCCCNC1=O 62a_100000735217_200025704644 [0,1,0,1,0,0|1,0,1]=4 8197 B10R1.19 [13CH3]SC1CCCCNC1=O 62a_200025704644_100000735217 [0,1,0,1,0,0|1,0,1]=4 8198 B10R1.21 CCCCOc1ccsc1 34a_100000106738_100000210210 [0,1,0,1,0,0|2,0,0]=4 8199 B10R1.21 CCCCOc1ccsc1 7a_100000106738_100000210211 [0,1,0,1,0,0|2,0,0]=4 8200 B10R1.21 CCCCSc1cc[nH]n1 62a_100000062575_100000210210 [0,1,0,1,0,0|2,0,0]=4 8201 B10R1.21 CCCCSc1cc[nH]n1 62a_100000210211_100000062575 [0,1,0,1,0,0|2,0,0]=4 8202 B10R1.21 CCCCSc1ccco1 62a_100000210211_100009814098 [0,1,0,1,0,0|0,0,2]=4 8203 B10R1.21 CCCCSc1ccco1 62a_100009814098_100000210210 [0,1,0,1,0,0|0,0,2]=4 8204 B10R1.21 CCCCSc1cccs1 62a_100000210211_100011215356 [0,1,0,1,0,0|0,1,1]=4 8205 B10R1.21 CCCCSc1cccs1 62a_100011215356_100000210210 [0,1,0,1,0,0|0,1,1]=4 8206 B10R1.21 CCCCSc1ccoc1 62a_100000210211_100011215275 [0,1,0,1,0,0|2,0,0]=4 8207 B10R1.21 CCCCSc1ccoc1 62a_100011215275_100000210210 [0,1,0,1,0,0|2,0,0]=4 8208 B10R1.21 CCCCSc1ccon1 62a_100000210211_100009818083 [0,1,0,1,0,0|2,0,0]=4 8209 B10R1.21 CCCCSc1ccon1 62a_100009818083_100000210210 [0,1,0,1,0,0|2,0,0]=4 8210 B10R1.21 CCCCSc1ccsc1 62a_100000210211_100000738268 [0,1,0,1,0,0|2,0,0]=4 8211 B10R1.21 CCCCSc1ccsc1 62a_100000738268_100000210210 [0,1,0,1,0,0|2,0,0]=4 8212 B10R1.21 CCCCSc1ccsn1 62a_100000210211_100009818082 [0,1,0,1,0,0|2,0,0]=4 8213 B10R1.21 CCCCSc1ccsn1 62a_100009818082_100000210210 [0,1,0,1,0,0|2,0,0]=4 8214 B10R1.21 CCCNCc1cc[nH]n1 207a_100020643023_100000738523 [0,1,0,1,0,0|2,0,0]=4 8215 B10R1.21 CCCNCc1cc[nH]n1 270004a_100020643023_100000738523 [0,1,0,1,0,0|2,0,0]=4 8216 B10R1.21 CCCNCc1ccco1 207a_100020643023_100000186105 [0,1,0,1,0,0|0,0,2]=4 8217 B10R1.21 CCCNCc1ccco1 2230a_100000185738_100000210303 [0,1,0,1,0,0|0,0,2]=4 8218 B10R1.21 CCCNCc1ccco1 270004a_100020643023_100000186105 [0,1,0,1,0,0|0,0,2]=4 8219 B10R1.21 CCCNCc1ccco1 34a_100000185738_100000210303 [0,1,0,1,0,0|0,0,2]=4 8220 B10R1.21 CCCNCc1cccs1 207a_100020643023_100000209959 [0,1,0,1,0,0|0,1,1]=4 8221 B10R1.21 CCCNCc1cccs1 2230a_100000211653_100000210303 [0,1,0,1,0,0|0,1,1]=4 8222 B10R1.21 CCCNCc1cccs1 270004a_100020643023_100000209959 [0,1,0,1,0,0|0,1,1]=4 8223 B10R1.21 CCCNCc1ccoc1 207a_100020643023_100011215517 [0,1,0,1,0,0|2,0,0]=4 8224 B10R1.21 CCCNCc1ccoc1 2230a_100015206860_100000210303 [0,1,0,1,0,0|2,0,0]=4 8225 B10R1.21 CCCNCc1ccoc1 270004a_100020643023_100011215517 [0,1,0,1,0,0|2,0,0]=4 8226 B10R1.21 CCCNCc1ccoc1 34a_100015206860_100000210303 [0,1,0,1,0,0|2,0,0]=4 8227 B10R1.21 CCCNCc1ccsc1 207a_100020643023_100000188534 [0,1,0,1,0,0|2,0,0]=4 8228 B10R1.21 CCCNCc1ccsc1 2230a_100000186416_100000210303 [0,1,0,1,0,0|2,0,0]=4 8229 B10R1.21 CCCNCc1ccsc1 270004a_100020643023_100000188534 [0,1,0,1,0,0|2,0,0]=4 8230 B10R1.21 CCCNCc1ccsc1 34a_100000186416_100000210303 [0,1,0,1,0,0|2,0,0]=4 8231 B10R1.21 CCCNN=C1C=CCC1 4a_100000740057_100000239507 [0,1,0,1,0,0|2,0,0]=4 8232 B10R1.21 CCCOCc1ccco1 34a_100000210059_100000210303 [0,1,0,1,0,0|0,0,2]=4 8233 B10R1.21 CCCOCc1cccs1 34a_100000211240_100000210303 [0,1,0,1,0,0|0,1,1]=4 8234 B10R1.21 CCCOCc1ccn[nH]1 34a_100000210258_100000728653 [0,1,0,1,0,0|2,0,0]=4 8235 B10R1.21 CCCOCc1ccno1 34a_100000740478_100000210303 [0,1,0,1,0,0|1,0,1]=4 8236 B10R1.21 CCCOCc1ccoc1 34a_100011215357_100000210303 [0,1,0,1,0,0|2,0,0]=4 8237 B10R1.21 CCCOCc1ccon1 34a_100000210258_100000234950 [0,1,0,1,0,0|2,0,0]=4 8238 B10R1.21 CCCOCc1ccsc1 34a_100000210258_100011261437 [0,1,0,1,0,0|2,0,0]=4 8239 B10R1.21 CCCOCc1ccsc1 34a_100011215551_100000210303 [0,1,0,1,0,0|2,0,0]=4 8240 B10R1.21 CCCSCc1ccn[nH]1 62a_100000210303_100000728653 [0,1,0,1,0,0|2,0,0]=4 8241 B10R1.21 CCCSCc1ccn[nH]1 62a_100000728653_100000210303 [0,1,0,1,0,0|2,0,0]=4 8242 B10R1.21 CCCSCc1ccon1 62a_100000210303_100000234950 [0,1,0,1,0,0|2,0,0]=4 8243 B10R1.21 CCCSCc1ccon1 62a_100000234950_100000210303 [0,1,0,1,0,0|2,0,0]=4 8244 B10R1.21 CCCSCc1ccsc1 62a_100000210303_100011233845 [0,1,0,1,0,0|2,0,0]=4 8245 B10R1.21 CCCSCc1ccsc1 62a_100011261437_100000210303 [0,1,0,1,0,0|2,0,0]=4 8246 B10R1.21 CCNCCc1ccco1 2230a_100000694680_100000210202 [0,1,0,1,0,0|0,0,2]=4 8247 B10R1.21 CCNCCc1ccco1 34a_100000694680_100000210202 [0,1,0,1,0,0|0,0,2]=4 8248 B10R1.21 CCNCCc1cccs1 2230a_100000203755_100000210202 [0,1,0,1,0,0|0,1,1]=4 8249 B10R1.21 CCNCCc1cccs1 2230a_100015525214_100000748579 [0,1,0,1,0,0|0,1,1]=4 8250 B10R1.21 CCNCCc1cccs1 34a_100000203755_100000210202 [0,1,0,1,0,0|0,1,1]=4 8251 B10R1.21 CCNCCc1ccsc1 2230a_100000692642_100000210202 [0,1,0,1,0,0|2,0,0]=4 8252 B10R1.21 CCNCCc1ccsc1 34a_100000692642_100000210202 [0,1,0,1,0,0|2,0,0]=4 8253 B10R1.21 CCOCCc1cccs1 34a_100011216825_100000210202 [0,1,0,1,0,0|0,1,1]=4 8254 B10R1.21 CCOCCc1cccs1 34a_100121572206_100000748579 [0,1,0,1,0,0|0,1,1]=4 8255 B10R1.21 CCOCCc1cccs1 7a_100011216825_100000210202 [0,1,0,1,0,0|0,1,1]=4 8256 B10R1.21 CCOCCc1ccsc1 34a_100000748821_100000210202 [0,1,0,1,0,0|2,0,0]=4 8257 B10R1.21 CCSCCc1cccs1 62a_100000210202_100000748579 [0,1,0,1,0,0|0,1,1]=4 8258 B10R1.21 CCSCCc1cccs1 62a_100000748579_100000210202 [0,1,0,1,0,0|0,1,1]=4 8259 B10R1.21 CNCCCc1cccs1 2230a_106832991635_100010992444 [0,1,0,1,0,0|0,1,1]=4 8260 B10R1.21 CNCCCc1cccs1 34a_100102657272_100010992444 [0,1,0,1,0,0|0,1,1]=4 8261 B10R1.21 CNCCCc1cccs1 7a_106832991635_100010992444 [0,1,0,1,0,0|0,1,1]=4 8262 B10R1.21 COCCCc1cccs1 34a_100011713143_200000210301 [0,1,0,1,0,0|0,1,1]=4 8263 B10R1.21 COCCCc1cccs1 34a_100138415774_100010992444 [0,1,0,1,0,0|0,1,1]=4 8264 B10R1.21 COCCCc1cccs1 7a_100011713143_200000210301 [0,1,0,1,0,0|0,1,1]=4 8265 B10R1.21 COCCCc1ccsc1 34a_200000699776_200000210301 [0,1,0,1,0,0|2,0,0]=4 8266 B10R1.21 COCCCc1ccsc1 7a_200000699776_200000210301 [0,1,0,1,0,0|2,0,0]=4 8267 B10R1.21 CSCCCc1cccs1 62a_100010992444_200000210301 [0,1,0,1,0,0|0,1,1]=4 8268 B10R1.21 CSCCCc1cccs1 62a_200000210301_100010992444 [0,1,0,1,0,0|0,1,1]=4 8269 B10R1.21 [13CH3]OCCCc1cccs1 34a_100011713143_200025704644 [0,1,0,1,0,0|0,1,1]=4 8270 B10R1.21 [13CH3]OCCCc1cccs1 7a_100011713143_200025704644 [0,1,0,1,0,0|0,1,1]=4 8271 B10R1.21 [13CH3]OCCCc1ccsc1 34a_200000699776_200025704644 [0,1,0,1,0,0|2,0,0]=4 8272 B10R1.21 [13CH3]OCCCc1ccsc1 7a_200000699776_200025704644 [0,1,0,1,0,0|2,0,0]=4 8273 B10R1.21 [13CH3]SCCCc1cccs1 62a_100010992444_200025704644 [0,1,0,1,0,0|0,1,1]=4 8274 B10R1.21 [13CH3]SCCCc1cccs1 62a_200025704644_100010992444 [0,1,0,1,0,0|0,1,1]=4 8275 B10R1.25 CNC1CCC(=O)NC1=O 2230a_100000691121_200000210301 [0,1,0,1,0,0|2,0,0]=4 8276 B10R1.25 CNC1CCC(=O)NC1=O 2230a_106832991635_100000694648 [0,1,0,1,0,0|2,0,0]=4 8277 B10R1.25 CNC1CCC(=O)NC1=O 34a_100000691121_200000210301 [0,1,0,1,0,0|2,0,0]=4 8278 B10R1.25 CNC1CCC(=O)NC1=O 7a_106832991635_100000694648 [0,1,0,1,0,0|2,0,0]=4 8279 B10R1.25 CSC1CCC(=O)NC1=O 62a_100000694648_200000210301 [0,1,0,1,0,0|2,0,0]=4 8280 B10R1.25 CSC1CCC(=O)NC1=O 62a_200000210301_100000694648 [0,1,0,1,0,0|2,0,0]=4 8281 B10R1.25 [13CH3]NC1CCC(=O)NC1=O 2230a_100000691121_200025704644 [0,1,0,1,0,0|2,0,0]=4 8282 B10R1.25 [13CH3]NC1CCC(=O)NC1=O 34a_100000691121_200025704644 [0,1,0,1,0,0|2,0,0]=4 8283 B10R1.25 [13CH3]SC1CCC(=O)NC1=O 62a_100000694648_200025704644 [0,1,0,1,0,0|2,0,0]=4 8284 B10R1.25 [13CH3]SC1CCC(=O)NC1=O 62a_200025704644_100000694648 [0,1,0,1,0,0|2,0,0]=4 8285 B10R1.29 CCCCC1C=CCN1C 2230a_100015184376_200000210301 [0,1,0,1,0,0|1,0,1]=4 8286 B10R1.29 CCCCC1C=CCN1C 269982a_100015184376_200000210301 [0,1,0,1,0,0|1,0,1]=4 8287 B10R1.29 CCCCC1C=CCN1C 34a_100015184376_200000210301 [0,1,0,1,0,0|1,0,1]=4 8288 B10R1.29 CCCCC1C=CCN1[13CH3] 2230a_100015184376_200025704644 [0,1,0,1,0,0|1,0,1]=4 8289 B10R1.29 CCCCC1C=CCN1[13CH3] 269982a_100015184376_200025704644 [0,1,0,1,0,0|1,0,1]=4 8290 B10R1.29 CCCCC1C=CCN1[13CH3] 34a_100015184376_200025704644 [0,1,0,1,0,0|1,0,1]=4 8291 B10R1.29 CCCCc1ccnn1C 271570a_100020621405_100000688441 [0,1,0,1,0,0|2,0,0]=4 8292 B10R1.29 CCCCc1ccsc1C 271570a_100020621405_100000684487 [0,1,0,1,0,0|2,0,0]=4 8293 B10R1.29 CCCCc1ccsc1O 271570a_203496583355_100010071534 [0,1,0,1,0,0|1,0,1]=4 8294 B10R1.29 CCCCc1cscc1Br 271570a_100020621405_100010143727 [0,1,0,1,0,0|2,0,0]=4 8295 B10R1.29 CCCCc1cscc1C 271570a_100020621405_100000759966 [0,1,0,1,0,0|2,0,0]=4 8296 B10R1.29 CCCCc1n[nH]cc1Br 271570a_100020621405_100015839836 [0,1,0,1,0,0|2,0,0]=4 8297 B10R1.29 CCCCc1n[nH]cc1C 271570a_100020621405_100009871783 [0,1,0,1,0,0|2,0,0]=4 8298 B10R1.29 CCCCc1n[nH]cc1N 271570a_100020621405_100010894806 [0,1,0,1,0,0|2,0,0]=4 8299 B10R1.29 CCCCc1sccc1Br 271570a_100020621405_100012361411 [0,1,0,1,0,0|0,1,1]=4 8300 B10R1.29 CCCCc1sccc1C 271570a_100020621405_100000742657 [0,1,0,1,0,0|0,1,1]=4 8301 B10R1.29 CCCCn1nccc1O 271570a_203496583355_200010264484 [0,1,0,1,0,0|1,0,1]=4 8302 B10R1.29 CCCNC1CCNC1=O 2230a_100016995588_100000210303 [0,1,0,1,0,0|1,0,1]=4 8303 B10R1.29 CCCNC1CCNC1=O 34a_100016995588_100000210303 [0,1,0,1,0,0|1,0,1]=4 8304 B10R1.29 CCCN[C@@H]1CONC1=O 2230a_100000765999_100000210303 [0,1,0,1,0,0|2,0,0]=4 8305 B10R1.29 CCCN[C@@H]1CONC1=O 34a_100000765999_100000210303 [0,1,0,1,0,0|2,0,0]=4 8306 B10R1.29 CCCOC1CCCC1=O 34a_100000210258_100000709159 [0,1,0,1,0,0|0,0,2]=4 8307 B10R1.29 CCCOC1CCCC1=O 34a_200000719330_100000210303 [0,1,0,1,0,0|0,0,2]=4 8308 B10R1.29 CCCOC1CCOC1=O 34a_100000210258_100000211211 [0,1,0,1,0,0|1,0,1]=4 8309 B10R1.29 CCCO[C@H]1CCNC1=O 34a_100000688343_100000210303 [0,1,0,1,0,0|1,0,1]=4 8310 B10R1.29 CCCSC1CCCC1=O 62a_100000210303_100000211823 [0,1,0,1,0,0|0,0,2]=4 8311 B10R1.29 CCCSC1CCCC1=O 62a_100000211823_100000210303 [0,1,0,1,0,0|0,0,2]=4 8312 B10R1.29 CCCSC1CCOC1=O 62a_100000210303_100000211211 [0,1,0,1,0,0|1,0,1]=4 8313 B10R1.29 CCCSC1CCOC1=O 62a_100000211211_100000210303 [0,1,0,1,0,0|1,0,1]=4 8314 B10R1.29 CCOCC1=CCCC1=O 34a_100000087531_100000210202 [0,1,0,1,0,0|1,0,1]=4 8315 B10R1.29 CCOCC1CCNC1=O 34a_100000133458_100000210202 [0,1,0,1,0,0|1,0,1]=4 8316 B10R1.135 C=CCC(=O)C1CC1CC 1458a_200011661523_100000210623 [0,1,0,1,0,0|0,0,2]=4 8317 B10R1.135 CCC1CC1C(=O)NNC 22a_100016993582_200011661523 [0,1,0,1,0,0|2,0,0]=4 8318 B10R1.135 CCCC(=O)C1CC1CC 1458a_200011661523_100000210303 [0,1,0,1,0,0|0,0,2]=4 8319 B10R1.135 CCNC(=O)C1CC1CC 11a_100015525214_200011661523 [0,1,0,1,0,0|1,0,1]=4 8320 B10R1.135 CCNC(=O)C1CC1CC 240690a_100015525214_200011661523 [0,1,0,1,0,0|1,0,1]=4 8321 B10R1.135 CCNC(=O)C1CC1CC 527a_100015525214_200011661523 [0,1,0,1,0,0|1,0,1]=4 8322 B10R1.136 CC=CC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000210699 [0,1,0,1,0,0|1,0,0]=3 8323 B10R1.136 CC=CC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000210699 [0,1,0,1,0,0|1,0,0]=3 8324 B10R1.136 CC=CC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000210699 [0,1,0,1,0,0|1,0,0]=3 8325 B10R1.136 CC=CC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000210699 [0,1,0,1,0,0|1,0,0]=3 8326 B10R1.136 O=C(C=CBr)N[C@@H]1C[C@@H]1F 240690a_100015190264_100016273825 [0,1,0,1,0,0|2,0,0]=4 8327 B10R1.136 O=C(C=CBr)N[C@@H]1C[C@H]1F 1626a_100025746932_100016273825 [0,1,0,1,0,0|2,0,0]=4 8328 B10R1.136 O=C(C=CBr)N[C@@H]1C[C@H]1F 240690a_100025746932_100016273825 [0,1,0,1,0,0|2,0,0]=4 8329 B10R1.136 O=C(C=CCl)N[C@@H]1C[C@@H]1F 240690a_100015190264_200016279998 [0,1,0,1,0,0|2,0,0]=4 8330 B10R1.136 O=C(C=CCl)N[C@@H]1C[C@H]1F 11a_100025746932_200016279998 [0,1,0,1,0,0|2,0,0]=4 8331 B10R1.136 O=C(C=CCl)N[C@@H]1C[C@H]1F 1626a_100025746932_200016279998 [0,1,0,1,0,0|2,0,0]=4 8332 B10R1.136 O=C(C=CCl)N[C@@H]1C[C@H]1F 240690a_100025746932_200016279998 [0,1,0,1,0,0|2,0,0]=4 8333 B10R1.136 O=C(C=CI)N[C@@H]1C[C@H]1F 1626a_100025746932_100016256311 [0,1,0,1,0,0|2,0,0]=4 8334 B10R1.137 C/C=C/C(C)OC1CCC1 34a_200102604097_100000749161 [0,1,0,1,0,0|1,0,1]=4 8335 B10R1.137 C=CCC(=O)CC1CCC1 1458a_100000210193_100000763275 [0,1,0,1,0,0|0,0,2]=4 8336 B10R1.137 C=CCC(=O)CC1CCC1 1458a_100000763092_100000210623 [0,1,0,1,0,0|0,0,2]=4 8337 B10R1.137 C=CCC(=O)CC1CCO1 1458a_100000210193_100000103362 [0,1,0,1,0,0|0,0,2]=4 8338 B10R1.137 C=CCC(=O)CC1COC1 1458a_100000210193_100010264016 [0,1,0,1,0,0|0,0,2]=4 8339 B10R1.137 C=CCC(=O)CC1COC1 1458a_100000687760_100000210623 [0,1,0,1,0,0|0,0,2]=4 8340 B10R1.137 C=CCC(=O)NC1CCC1 11a_100000749019_100000210193 [0,1,0,1,0,0|0,0,2]=4 8341 B10R1.137 C=CCC(=O)NC1CCC1 1626a_100000749019_100000210193 [0,1,0,1,0,0|0,0,2]=4 8342 B10R1.137 C=CCC(=O)NC1CCC1 240690a_100000749019_100000210193 [0,1,0,1,0,0|0,0,2]=4 8343 B10R1.137 C=CCC(=O)NC1CCC1 527a_100000749019_100000210193 [0,1,0,1,0,0|0,0,2]=4 8344 B10R1.137 C=COC(=O)CN1CCC1 269982a_100000754969_100000036128 [0,1,0,1,0,0|1,0,1]=4 8345 B10R1.137 CC#CC(=O)CC1CCC1 1458a_100000763181_100000763275 [0,1,0,1,0,0|0,0,2]=4 8346 B10R1.137 CC#CC(=O)CC1CCO1 1458a_100000763181_100000103362 [0,1,0,1,0,0|0,0,2]=4 8347 B10R1.137 CC#CC(=O)CC1COC1 1458a_100000763181_100010264016 [0,1,0,1,0,0|0,0,2]=4 8348 B10R1.137 CC=CC(=O)CC1CCC1 1458a_100000210699_100000763275 [0,1,0,1,0,0|0,0,0]=2 8349 B10R1.137 CC=CC(=O)CC1CCO1 1458a_100000210699_100000103362 [0,1,0,1,0,0|0,0,0]=2 8350 B10R1.137 CC=CC(=O)CC1COC1 1458a_100000210699_100010264016 [0,1,0,1,0,0|0,0,0]=2 8351 B10R1.137 CC=CC(=O)NC1CCC1 11a_100000749019_100000210699 [0,1,0,1,0,0|0,0,0]=2 8352 B10R1.137 CC=CC(=O)NC1CCC1 1626a_100000749019_100000210699 [0,1,0,1,0,0|0,0,0]=2 8353 B10R1.137 CC=CC(=O)NC1CCC1 240690a_100000749019_100000210699 [0,1,0,1,0,0|0,0,0]=2 8354 B10R1.137 CC=CC(=O)NC1COC1 11a_100016991112_100000210699 [0,1,0,1,0,0|1,0,0]=3 8355 B10R1.137 CC=CC(=O)NC1COC1 1626a_100016991112_100000210699 [0,1,0,1,0,0|1,0,0]=3 8356 B10R1.137 CC=CC(=O)NC1COC1 240690a_100016991112_100000210699 [0,1,0,1,0,0|1,0,0]=3 8357 B10R1.137 CC=CC(=O)NC1CSC1 11a_100016994217_100000210699 [0,1,0,1,0,0|1,0,0]=3 8358 B10R1.137 CC=CC(=O)NC1CSC1 1626a_100016994217_100000210699 [0,1,0,1,0,0|1,0,0]=3 8359 B10R1.137 CC=CC(=O)NC1CSC1 240690a_100016994217_100000210699 [0,1,0,1,0,0|1,0,0]=3 8360 B10R1.137 CCCC(=O)CC1CCC1 1458a_100000211992_100000763275 [0,1,0,1,0,0|0,0,2]=4 8361 B10R1.137 CCCC(=O)CC1CCC1 1458a_100000763092_100000210303 [0,1,0,1,0,0|0,0,2]=4 8362 B10R1.137 CCCC(=O)CC1CCO1 1458a_100000211992_100000103362 [0,1,0,1,0,0|0,0,2]=4 8363 B10R1.137 CCCC(=O)CC1COC1 1458a_100000211992_100010264016 [0,1,0,1,0,0|0,0,2]=4 8364 B10R1.137 CCCC(=O)CC1COC1 1458a_100000687760_100000210303 [0,1,0,1,0,0|0,0,2]=4 8365 B10R1.137 CCCC(=O)CN1CCC1 269982a_100000754969_100000747444 [0,1,0,1,0,0|0,0,2]=4 8366 B10R1.137 CCCC(=O)NC1CCC1 11a_100000749019_100000211992 [0,1,0,1,0,0|0,0,2]=4 8367 B10R1.137 CCCC(=O)NC1CCC1 1626a_100000749019_100000211992 [0,1,0,1,0,0|0,0,2]=4 8368 B10R1.137 CCCC(=O)NC1CCC1 240690a_100000749019_100000211992 [0,1,0,1,0,0|0,0,2]=4 8369 B10R1.137 CCCC(=O)NC1CCC1 527a_100000749019_100000211992 [0,1,0,1,0,0|0,0,2]=4 8370 B10R1.137 CCNC(=O)CC1CCC1 11a_100015525214_100000763092 [0,1,0,1,0,0|1,0,1]=4 8371 B10R1.137 CCNC(=O)CC1CCC1 240690a_100015525214_100000763092 [0,1,0,1,0,0|1,0,1]=4 8372 B10R1.137 CCNC(=O)CC1CCC1 527a_100015525214_100000763092 [0,1,0,1,0,0|1,0,1]=4 8373 B10R1.137 CCNC(=O)CC1COC1 11a_100015525214_100000687760 [0,1,0,1,0,0|1,0,1]=4 8374 B10R1.137 CCNC(=O)CN1CCC1 269982a_100000754969_100000183381 [0,1,0,1,0,0|1,0,1]=4 8375 B10R1.137 CCNC(=O)NC1CCC1 2708a_100015525214_100000749019 [0,1,0,1,0,0|1,0,1]=4 8376 B10R1.137 CCNC(=O)NC1CCC1 273464a_100000749019_100015525214 [0,1,0,1,0,0|1,0,1]=4 8377 B10R1.137 CCNC(=O)NC1CCC1 273464a_100015525214_100000749019 [0,1,0,1,0,0|1,0,1]=4 8378 B10R1.137 CCNC(=O)NC1CCC1 512a_100000749019_100015525214 [0,1,0,1,0,0|1,0,1]=4 8379 B10R1.137 CCNC(=O)NC1CCC1 512a_100015525214_100000749019 [0,1,0,1,0,0|1,0,1]=4 8380 B10R1.137 CCOC(=O)CN1CCC1 269982a_100000754969_100000188475 [0,1,0,1,0,0|1,0,1]=4 8381 B10R1.137 CNNC(=O)CC1CCC1 22a_100016993582_100000763092 [0,1,0,1,0,0|2,0,0]=4 8382 B10R1.137 CNNC(=O)CC1COC1 22a_100016993582_100000687760 [0,1,0,1,0,0|2,0,0]=4 8383 B10R1.137 CNNC(=O)NC1CCC1 273464a_100000749019_100016993582 [0,1,0,1,0,0|2,0,0]=4 8384 B10R1.137 CNNC(=O)NC1CCC1 512a_100000749019_100016993582 [0,1,0,1,0,0|2,0,0]=4 8385 B10R1.137 CNNC(=O)NC1CCC1 512a_100016993582_100000749019 [0,1,0,1,0,0|2,0,0]=4 8386 B10R1.137 COCC(=O)CC1CCC1 1458a_100000210968_100000763275 [0,1,0,1,0,0|1,0,1]=4 8387 B10R1.137 COCC(=O)CC1CCO1 1458a_100000210968_100000103362 [0,1,0,1,0,0|1,0,1]=4 8388 B10R1.137 COCC(=O)CC1COC1 1458a_100000210968_100010264016 [0,1,0,1,0,0|1,0,1]=4 8389 B10R1.137 COCC(=O)NC1CCC1 11a_100000749019_100000210968 [0,1,0,1,0,0|1,0,1]=4 8390 B10R1.137 COCC(=O)NC1CCC1 1626a_100000749019_100000210968 [0,1,0,1,0,0|1,0,1]=4 8391 B10R1.137 COCC(=O)NC1CCC1 240690a_100000749019_100000210968 [0,1,0,1,0,0|1,0,1]=4 8392 B10R1.137 COCC(=O)NC1CCC1 527a_100000749019_100000210968 [0,1,0,1,0,0|1,0,1]=4 8393 B10R1.137 CSCC(=O)CC1CCC1 1458a_100000184570_100000763275 [0,1,0,1,0,0|1,0,1]=4 8394 B10R1.137 CSCC(=O)CC1CCO1 1458a_100000184570_100000103362 [0,1,0,1,0,0|1,0,1]=4 8395 B10R1.137 CSCC(=O)CC1COC1 1458a_100000184570_100010264016 [0,1,0,1,0,0|1,0,1]=4 8396 B10R1.137 CSCC(=O)NC1CCC1 11a_100000749019_100000184570 [0,1,0,1,0,0|1,0,1]=4 8397 B10R1.137 CSCC(=O)NC1CCC1 1626a_100000749019_100000184570 [0,1,0,1,0,0|1,0,1]=4 8398 B10R1.137 CSCC(=O)NC1CCC1 240690a_100000749019_100000184570 [0,1,0,1,0,0|1,0,1]=4 8399 B10R1.137 CSCC(=O)NC1CCC1 527a_100000749019_100000184570 [0,1,0,1,0,0|1,0,1]=4 8400 B10R1.137 O=C(C=CBr)CC1CCC1 1458a_100016273825_100000763275 [0,1,0,1,0,0|1,0,0]=3 8401 B10R1.137 O=C(C=CBr)CC1CCO1 1458a_100016273825_100000103362 [0,1,0,1,0,0|1,0,0]=3 8402 B10R1.137 O=C(C=CBr)CC1COC1 1458a_100016273825_100010264016 [0,1,0,1,0,0|1,0,0]=3 8403 B10R1.137 O=C(C=CBr)NC1CCC1 1626a_100000749019_100016273825 [0,1,0,1,0,0|1,0,0]=3 8404 B10R1.137 O=C(C=CBr)NC1CCC1 240690a_100000749019_100016273825 [0,1,0,1,0,0|1,0,0]=3 8405 B10R1.137 O=C(C=CBr)NC1COC1 1626a_100016991112_100016273825 [0,1,0,1,0,0|2,0,0]=4 8406 B10R1.137 O=C(C=CBr)NC1COC1 240690a_100016991112_100016273825 [0,1,0,1,0,0|2,0,0]=4 8407 B10R1.137 O=C(C=CBr)NC1CSC1 1626a_100016994217_100016273825 [0,1,0,1,0,0|2,0,0]=4 8408 B10R1.137 O=C(C=CBr)NC1CSC1 240690a_100016994217_100016273825 [0,1,0,1,0,0|2,0,0]=4 8409 B10R1.137 O=C(C=CCl)CC1CCC1 1458a_200016279998_100000763275 [0,1,0,1,0,0|1,0,0]=3 8410 B10R1.137 O=C(C=CCl)CC1CCO1 1458a_200016279998_100000103362 [0,1,0,1,0,0|1,0,0]=3 8411 B10R1.137 O=C(C=CCl)CC1COC1 1458a_200016279998_100010264016 [0,1,0,1,0,0|1,0,0]=3 8412 B10R1.137 O=C(C=CCl)NC1CCC1 11a_100000749019_200016279998 [0,1,0,1,0,0|1,0,0]=3 8413 B10R1.137 O=C(C=CCl)NC1CCC1 1626a_100000749019_200016279998 [0,1,0,1,0,0|1,0,0]=3 8414 B10R1.137 O=C(C=CCl)NC1CCC1 240690a_100000749019_200016279998 [0,1,0,1,0,0|1,0,0]=3 8415 B10R1.137 O=C(C=CCl)NC1COC1 11a_100016991112_200016279998 [0,1,0,1,0,0|2,0,0]=4 8416 B10R1.137 O=C(C=CCl)NC1COC1 1626a_100016991112_200016279998 [0,1,0,1,0,0|2,0,0]=4 8417 B10R1.137 O=C(C=CCl)NC1COC1 240690a_100016991112_200016279998 [0,1,0,1,0,0|2,0,0]=4 8418 B10R1.137 O=C(C=CCl)NC1CSC1 11a_100016994217_200016279998 [0,1,0,1,0,0|2,0,0]=4 8419 B10R1.137 O=C(C=CCl)NC1CSC1 1626a_100016994217_200016279998 [0,1,0,1,0,0|2,0,0]=4 8420 B10R1.137 O=C(C=CCl)NC1CSC1 240690a_100016994217_200016279998 [0,1,0,1,0,0|2,0,0]=4 8421 B10R1.137 O=C(C=CI)CC1CCC1 1458a_100016256311_100000763275 [0,1,0,1,0,0|1,0,0]=3 8422 B10R1.137 O=C(C=CI)CC1CCO1 1458a_100016256311_100000103362 [0,1,0,1,0,0|1,0,0]=3 8423 B10R1.137 O=C(C=CI)CC1COC1 1458a_100016256311_100010264016 [0,1,0,1,0,0|1,0,0]=3 8424 B10R1.137 O=C(C=CI)NC1CCC1 1626a_100000749019_100016256311 [0,1,0,1,0,0|1,0,0]=3 8425 B10R1.137 O=C(C=CI)NC1COC1 1626a_100016991112_100016256311 [0,1,0,1,0,0|2,0,0]=4 8426 B10R1.137 O=C(C=CI)NC1CSC1 1626a_100016994217_100016256311 [0,1,0,1,0,0|2,0,0]=4 8427 B10R1.138 C/C=C/C(C)OCC1CC1 34a_200102604097_100000742324 [0,1,0,1,0,0|1,0,1]=4 8428 B10R1.138 C=CCC(=O)CCC1CC1 1458a_100000210193_100000694398 [0,1,0,1,0,0|0,0,2]=4 8429 B10R1.138 C=CCC(=O)CCC1CC1 1458a_100000756386_100000210623 [0,1,0,1,0,0|0,0,2]=4 8430 B10R1.138 C=CCC(=O)CCC1CO1 1458a_100000210193_100000732470 [0,1,0,1,0,0|0,0,2]=4 8431 B10R1.138 C=CCC(=O)NCC1CC1 11a_100000735609_100000210193 [0,1,0,1,0,0|0,0,2]=4 8432 B10R1.138 C=CCC(=O)NCC1CC1 1626a_100000735609_100000210193 [0,1,0,1,0,0|0,0,2]=4 8433 B10R1.138 C=CCC(=O)NCC1CC1 240690a_100000735609_100000210193 [0,1,0,1,0,0|0,0,2]=4 8434 B10R1.138 C=CCC(=O)NCC1CC1 527a_100000735609_100000210193 [0,1,0,1,0,0|0,0,2]=4 8435 B10R1.138 C=COC(=O)CNC1CC1 34a_100000212008_100000036128 [0,1,0,1,0,0|1,0,1]=4 8436 B10R1.138 C=COC(=O)CSC1CC1 62a_100000036128_100000211595 [0,1,0,1,0,0|1,0,1]=4 8437 B10R1.138 CC#CC(=O)CCC1CC1 1458a_100000763181_100000694398 [0,1,0,1,0,0|0,0,2]=4 8438 B10R1.138 CC#CC(=O)CCC1CO1 1458a_100000763181_100000732470 [0,1,0,1,0,0|0,0,2]=4 8439 B10R1.138 CC=CC(=NNC1CC1)C 4a_100000701032_100011218416 [0,1,0,1,0,0|2,0,0]=4 8440 B10R1.138 CC=CC(=O)CCC1CC1 1458a_100000210699_100000694398 [0,1,0,1,0,0|0,0,0]=2 8441 B10R1.138 CC=CC(=O)CCC1CO1 1458a_100000210699_100000732470 [0,1,0,1,0,0|0,0,0]=2 8442 B10R1.138 CC=CC(=O)NCC1CC1 11a_100000735609_100000210699 [0,1,0,1,0,0|0,0,0]=2 8443 B10R1.138 CC=CC(=O)NCC1CC1 1626a_100000735609_100000210699 [0,1,0,1,0,0|0,0,0]=2 8444 B10R1.138 CC=CC(=O)NCC1CC1 240690a_100000735609_100000210699 [0,1,0,1,0,0|0,0,0]=2 8445 B10R1.138 CC=CC(=O)NNC1CC1 22a_100000701032_100000210699 [0,1,0,1,0,0|1,0,0]=3 8446 B10R1.138 CCCC(=O)CCC1CC1 1458a_100000211992_100000694398 [0,1,0,1,0,0|0,0,2]=4 8447 B10R1.138 CCCC(=O)CCC1CC1 1458a_100000756386_100000210303 [0,1,0,1,0,0|0,0,2]=4 8448 B10R1.138 CCCC(=O)CCC1CO1 1458a_100000211992_100000732470 [0,1,0,1,0,0|0,0,2]=4 8449 B10R1.138 CCCC(=O)CSC1CC1 62a_100000747444_100000211595 [0,1,0,1,0,0|0,0,2]=4 8450 B10R1.138 CCCC(=O)NCC1CC1 11a_100000735609_100000211992 [0,1,0,1,0,0|0,0,2]=4 8451 B10R1.138 CCCC(=O)NCC1CC1 1626a_100000735609_100000211992 [0,1,0,1,0,0|0,0,2]=4 8452 B10R1.138 CCCC(=O)NCC1CC1 240690a_100000735609_100000211992 [0,1,0,1,0,0|0,0,2]=4 8453 B10R1.138 CCCC(=O)NCC1CC1 527a_100000735609_100000211992 [0,1,0,1,0,0|0,0,2]=4 8454 B10R1.138 CCNC(=O)CCC1CC1 11a_100015525214_100000756386 [0,1,0,1,0,0|1,0,1]=4 8455 B10R1.138 CCNC(=O)CCC1CC1 240690a_100015525214_100000756386 [0,1,0,1,0,0|1,0,1]=4 8456 B10R1.138 CCNC(=O)CCC1CC1 527a_100015525214_100000756386 [0,1,0,1,0,0|1,0,1]=4 8457 B10R1.138 CCNC(=O)CNC1CC1 34a_100000212008_100000183381 [0,1,0,1,0,0|1,0,1]=4 8458 B10R1.138 CCNC(=O)CSC1CC1 62a_100000183381_100000211595 [0,1,0,1,0,0|1,0,1]=4 8459 B10R1.138 CCNC(=O)NCC1CC1 2708a_100000735609_100015525214 [0,1,0,1,0,0|1,0,1]=4 8460 B10R1.138 CCNC(=O)NCC1CC1 2708a_100015525214_100000735609 [0,1,0,1,0,0|1,0,1]=4 8461 B10R1.138 CCNC(=O)NCC1CC1 273464a_100000735609_100015525214 [0,1,0,1,0,0|1,0,1]=4 8462 B10R1.138 CCNC(=O)NCC1CC1 273464a_100015525214_100000735609 [0,1,0,1,0,0|1,0,1]=4 8463 B10R1.138 CCNC(=O)NCC1CC1 512a_100000735609_100015525214 [0,1,0,1,0,0|1,0,1]=4 8464 B10R1.138 CCNC(=O)NCC1CC1 512a_100015525214_100000735609 [0,1,0,1,0,0|1,0,1]=4 8465 B10R1.138 CCOC(=O)CNC1CC1 34a_100000212008_100000188475 [0,1,0,1,0,0|1,0,1]=4 8466 B10R1.138 CCOC(=O)CSC1CC1 62a_100000188475_100000211595 [0,1,0,1,0,0|1,0,1]=4 8467 B10R1.138 CNNC(=O)CCC1CC1 22a_100016993582_100000756386 [0,1,0,1,0,0|2,0,0]=4 8468 B10R1.138 CNNC(=O)NCC1CC1 273464a_100000735609_100016993582 [0,1,0,1,0,0|2,0,0]=4 8469 B10R1.138 CNNC(=O)NCC1CC1 512a_100000735609_100016993582 [0,1,0,1,0,0|2,0,0]=4 8470 B10R1.138 CNNC(=O)NCC1CC1 512a_100016993582_100000735609 [0,1,0,1,0,0|2,0,0]=4 8471 B10R1.138 COCC(=O)CCC1CC1 1458a_100000210968_100000694398 [0,1,0,1,0,0|1,0,1]=4 8472 B10R1.138 COCC(=O)CCC1CO1 1458a_100000210968_100000732470 [0,1,0,1,0,0|1,0,1]=4 8473 B10R1.138 COCC(=O)NCC1CC1 11a_100000735609_100000210968 [0,1,0,1,0,0|1,0,1]=4 8474 B10R1.138 COCC(=O)NCC1CC1 1626a_100000735609_100000210968 [0,1,0,1,0,0|1,0,1]=4 8475 B10R1.138 COCC(=O)NCC1CC1 240690a_100000735609_100000210968 [0,1,0,1,0,0|1,0,1]=4 8476 B10R1.138 COCC(=O)NCC1CC1 527a_100000735609_100000210968 [0,1,0,1,0,0|1,0,1]=4 8477 B10R1.138 CSCC(=O)CCC1CC1 1458a_100000184570_100000694398 [0,1,0,1,0,0|1,0,1]=4 8478 B10R1.138 CSCC(=O)CCC1CO1 1458a_100000184570_100000732470 [0,1,0,1,0,0|1,0,1]=4 8479 B10R1.138 CSCC(=O)NCC1CC1 11a_100000735609_100000184570 [0,1,0,1,0,0|1,0,1]=4 8480 B10R1.138 CSCC(=O)NCC1CC1 1626a_100000735609_100000184570 [0,1,0,1,0,0|1,0,1]=4 8481 B10R1.138 CSCC(=O)NCC1CC1 240690a_100000735609_100000184570 [0,1,0,1,0,0|1,0,1]=4 8482 B10R1.138 CSCC(=O)NCC1CC1 527a_100000735609_100000184570 [0,1,0,1,0,0|1,0,1]=4 8483 B10R1.138 O=C(C=CBr)CCC1CC1 1458a_100016273825_100000694398 [0,1,0,1,0,0|1,0,0]=3 8484 B10R1.138 O=C(C=CBr)CCC1CO1 1458a_100016273825_100000732470 [0,1,0,1,0,0|1,0,0]=3 8485 B10R1.138 O=C(C=CBr)NCC1CC1 1626a_100000735609_100016273825 [0,1,0,1,0,0|1,0,0]=3 8486 B10R1.138 O=C(C=CBr)NCC1CC1 240690a_100000735609_100016273825 [0,1,0,1,0,0|1,0,0]=3 8487 B10R1.138 O=C(C=CCl)CCC1CC1 1458a_200016279998_100000694398 [0,1,0,1,0,0|1,0,0]=3 8488 B10R1.138 O=C(C=CCl)CCC1CO1 1458a_200016279998_100000732470 [0,1,0,1,0,0|1,0,0]=3 8489 B10R1.138 O=C(C=CCl)NCC1CC1 11a_100000735609_200016279998 [0,1,0,1,0,0|1,0,0]=3 8490 B10R1.138 O=C(C=CCl)NCC1CC1 1626a_100000735609_200016279998 [0,1,0,1,0,0|1,0,0]=3 8491 B10R1.138 O=C(C=CCl)NCC1CC1 240690a_100000735609_200016279998 [0,1,0,1,0,0|1,0,0]=3 8492 B10R1.138 O=C(C=CI)CCC1CC1 1458a_100016256311_100000694398 [0,1,0,1,0,0|1,0,0]=3 8493 B10R1.138 O=C(C=CI)CCC1CO1 1458a_100016256311_100000732470 [0,1,0,1,0,0|1,0,0]=3 8494 B10R1.138 O=C(C=CI)NCC1CC1 1626a_100000735609_100016256311 [0,1,0,1,0,0|1,0,0]=3 8495 B10R1.139 C=CCC(=O)N1CCC1C 11a_100000755817_100000210193 [0,1,0,1,0,0|0,0,2]=4 8496 B10R1.139 C=CCC(=O)N1CCC1C 240690a_100000755817_100000210193 [0,1,0,1,0,0|0,0,2]=4 8497 B10R1.139 C=CCC(=O)N1CCC1C 527a_100000755817_100000210193 [0,1,0,1,0,0|0,0,2]=4 8498 B10R1.139 CC1CCN1C(=O)C=CBr 240690a_100000755817_100016273825 [0,1,0,1,0,0|1,0,0]=3 8499 B10R1.139 CC1CCN1C(=O)C=CCl 11a_100000755817_200016279998 [0,1,0,1,0,0|1,0,0]=3 8500 B10R1.139 CC1CCN1C(=O)C=CCl 240690a_100000755817_200016279998 [0,1,0,1,0,0|1,0,0]=3 8501 B10R1.139 CC=CC(=O)C1CCC1=O 1458a_100000210699_100009892977 [0,1,0,1,0,0|0,0,1]=3 8502 B10R1.139 CC=CC(=O)N1CCC1C 11a_100000755817_100000210699 [0,1,0,1,0,0|0,0,0]=2 8503 B10R1.139 CC=CC(=O)N1CCC1C 240690a_100000755817_100000210699 [0,1,0,1,0,0|0,0,0]=2 8504 B10R1.139 CCCC(=O)N1CCC1C 11a_100000755817_100000211992 [0,1,0,1,0,0|0,0,2]=4 8505 B10R1.139 CCCC(=O)N1CCC1C 240690a_100000755817_100000211992 [0,1,0,1,0,0|0,0,2]=4 8506 B10R1.139 CCCC(=O)N1CCC1C 527a_100000755817_100000211992 [0,1,0,1,0,0|0,0,2]=4 8507 B10R1.139 CCNC(=O)N1CCC1C 2708a_100015525214_100000755817 [0,1,0,1,0,0|1,0,1]=4 8508 B10R1.139 CCNC(=O)N1CCC1C 273464a_100015525214_100000755817 [0,1,0,1,0,0|1,0,1]=4 8509 B10R1.139 COCC(=O)N1CCC1C 11a_100000755817_100000210968 [0,1,0,1,0,0|1,0,1]=4 8510 B10R1.139 COCC(=O)N1CCC1C 240690a_100000755817_100000210968 [0,1,0,1,0,0|1,0,1]=4 8511 B10R1.139 COCC(=O)N1CCC1C 527a_100000755817_100000210968 [0,1,0,1,0,0|1,0,1]=4 8512 B10R1.139 CSCC(=O)N1CCC1C 11a_100000755817_100000184570 [0,1,0,1,0,0|1,0,1]=4 8513 B10R1.139 CSCC(=O)N1CCC1C 240690a_100000755817_100000184570 [0,1,0,1,0,0|1,0,1]=4 8514 B10R1.139 CSCC(=O)N1CCC1C 527a_100000755817_100000184570 [0,1,0,1,0,0|1,0,1]=4 8515 B10R1.139 O=C(C=CBr)C1CCC1=O 1458a_100016273825_100009892977 [0,1,0,1,0,0|1,0,1]=4 8516 B10R1.139 O=C(C=CCl)C1CCC1=O 1458a_200016279998_100009892977 [0,1,0,1,0,0|1,0,1]=4 8517 B10R1.139 O=C(C=CI)C1CCC1=O 1458a_100016256311_100009892977 [0,1,0,1,0,0|1,0,1]=4 8518 B10R1.186 CCCCCC(=O)C1CC1 1458a_100000210395_100000210326 [0,1,0,1,0,0|0,0,2]=4 8519 B10R1.186 CCCCCC(=O)C1CO1 1458a_100000701028_100000210326 [0,1,0,1,0,0|1,0,1]=4 8520 B10R1.186 CCCCNC(=O)C1CC1 11a_100000102301_100000210395 [0,1,0,1,0,0|0,0,2]=4 8521 B10R1.186 CCCCNC(=O)C1CC1 1626a_100000102301_100000210395 [0,1,0,1,0,0|0,0,2]=4 8522 B10R1.186 CCCCNC(=O)C1CC1 240690a_100000102301_100000210395 [0,1,0,1,0,0|0,0,2]=4 8523 B10R1.186 CCCCNC(=O)C1CC1 527a_100000102301_100000210395 [0,1,0,1,0,0|0,0,2]=4 8524 B10R1.186 CCCCNC(=O)C1CO1 11a_100000102301_100000701028 [0,1,0,1,0,0|1,0,1]=4 8525 B10R1.186 CCCCNC(=O)C1CO1 1626a_100000102301_100000701028 [0,1,0,1,0,0|1,0,1]=4 8526 B10R1.186 CCCCNC(=O)C1CO1 240690a_100000102301_100000701028 [0,1,0,1,0,0|1,0,1]=4 8527 B10R1.186 CCCCNC(=O)C1CO1 527a_100000102301_100000701028 [0,1,0,1,0,0|1,0,1]=4 8528 B10R1.186 CCCOCC(=O)C1CC1 34a_100000210258_100000746382 [0,1,0,1,0,0|0,0,2]=4 8529 B10R1.186 CCCOCC(=O)C1CC1 34a_100000686663_100000210303 [0,1,0,1,0,0|0,0,2]=4 8530 B10R1.186 CCCSCC(=O)C1CC1 62a_100000210303_100000746382 [0,1,0,1,0,0|0,0,2]=4 8531 B10R1.186 CCCSCC(=O)C1CC1 62a_100000746382_100000210303 [0,1,0,1,0,0|0,0,2]=4 8532 B10R1.186 CCOCCC(=O)C1CC1 1458a_100000210395_100011215890 [0,1,0,1,0,0|0,0,2]=4 8533 B10R1.186 CCOCCC(=O)C1CO1 1458a_100000701028_100011215890 [0,1,0,1,0,0|1,0,1]=4 8534 B10R1.186 CCSCCC(=O)C1CC1 1458a_100000210395_100000757381 [0,1,0,1,0,0|0,0,2]=4 8535 B10R1.186 CCSCCC(=O)C1CO1 1458a_100000701028_100000757381 [0,1,0,1,0,0|1,0,1]=4 8536 B10R1.186 COCCCC(=O)C1CC1 1458a_100000210395_100000740836 [0,1,0,1,0,0|0,0,2]=4 8537 B10R1.186 COCCCC(=O)C1CO1 1458a_100000701028_100000740836 [0,1,0,1,0,0|1,0,1]=4 8538 B10R1.186 O=C(CCCCF)C1CC1 1458a_100000210395_100000729493 [0,1,0,1,0,0|0,0,2]=4 8539 B10R1.186 O=C(CCCCF)C1CO1 1458a_100000701028_100000729493 [0,1,0,1,0,0|1,0,1]=4 8540 B10R1.186 O=C(CCCCO)C1CC1 1458a_100000210395_100000210776 [0,1,0,1,0,0|0,0,2]=4 8541 B10R1.186 O=C(CCCCO)C1CO1 1458a_100000701028_100000210776 [0,1,0,1,0,0|1,0,1]=4 8542 B10R1.197 CCN1CCNC(=O)CC1 2230a_100000698595_100000210202 [0,1,0,1,0,0|1,0,1]=4 8543 B10R1.197 CCN1CCNC(=O)CC1 269982a_100000698595_100000204670 [0,1,0,1,0,0|1,0,1]=4 8544 B10R1.15 CCC(=O)C1=CCCCC1 1458a_100000765259_100000210202 [0,1,0,1,0,0|1,0,1]=4 8545 B10R1.15 CNC(=O)C1=CCCCC1 11a_106832991635_100000765259 [0,1,0,1,0,0|2,0,0]=4 8546 B10R1.15 CNC(=O)C1=CCCCC1 1626a_100102657272_100000765259 [0,1,0,1,0,0|2,0,0]=4 8547 B10R1.15 CNC(=O)C1=CCCCC1 240690a_100102657272_100000765259 [0,1,0,1,0,0|2,0,0]=4 8548 B10R1.15 CNC(=O)C1=CCCCC1 527a_100102657272_100000765259 [0,1,0,1,0,0|2,0,0]=4 8549 B10R1.178 C/C=C/CC(=O)C1CCC1 1458a_100000209988_100102629194 [0,1,0,1,0,0|0,0,0]=2 8550 B10R1.178 C/C=C/CC(=O)C1CCO1 1458a_100000089072_100102629194 [0,1,0,1,0,0|1,0,0]=3 8551 B10R1.178 C/C=C/CC(=O)C1COC1 1458a_100000758290_100102629194 [0,1,0,1,0,0|1,0,0]=3 8552 B10R1.178 C/C=C/CN(C)C1CCC1 269982a_100000758072_100102629194 [0,1,0,1,0,0|2,0,0]=4 8553 B10R1.178 C/C=C/CN(C)C1CCC1 34a_100000758072_100102629194 [0,1,0,1,0,0|2,0,0]=4 8554 B10R1.178 C=CC=CC(=O)C1CCC1 1458a_100016291481_100000749161 [0,1,0,1,0,0|0,0,1]=3 8555 B10R1.178 C=CC=CC(=O)C1COC1 1458a_100016291481_100000687716 [0,1,0,1,0,0|1,0,1]=4 8556 B10R1.178 C=CCCC(=O)C1CCC1 1458a_100000209988_100000754431 [0,1,0,1,0,0|0,0,2]=4 8557 B10R1.178 C=CCCC(=O)C1CCC1 1458a_100000749702_100000749161 [0,1,0,1,0,0|0,0,2]=4 8558 B10R1.178 C=CCNC(=O)C1CCC1 1626a_100020586998_100000209988 [0,1,0,1,0,0|0,0,2]=4 8559 B10R1.178 C=CCNC(=O)C1CCC1 240690a_100020586998_100000209988 [0,1,0,1,0,0|0,0,2]=4 8560 B10R1.178 C=CCNC(=O)C1CCC1 527a_100020586998_100000209988 [0,1,0,1,0,0|0,0,2]=4 8561 B10R1.178 CC#CCC(=O)C1CCC1 1458a_100000209988_100000748600 [0,1,0,1,0,0|0,0,2]=4 8562 B10R1.178 CC=CCC(=O)C1CCC1 1458a_100000209988_100000070051 [0,1,0,1,0,0|0,0,0]=2 8563 B10R1.178 CC=CCC(=O)C1CCC1 1458a_100121576822_100000749161 [0,1,0,1,0,0|0,0,0]=2 8564 B10R1.178 CC=CCC(=O)C1CCO1 1458a_100000089072_100000070051 [0,1,0,1,0,0|1,0,0]=3 8565 B10R1.178 CC=CCC(=O)C1COC1 1458a_100000758290_100000070051 [0,1,0,1,0,0|1,0,0]=3 8566 B10R1.178 CC=CCC(=O)C1COC1 1458a_100121576822_100000687716 [0,1,0,1,0,0|1,0,0]=3 8567 B10R1.178 CC=CCC(=O)N1CCC1 11a_100000754969_100121576822 [0,1,0,1,0,0|1,0,0]=3 8568 B10R1.178 CC=CCC(=O)N1CCC1 240690a_100000754969_100121576822 [0,1,0,1,0,0|1,0,0]=3 8569 B10R1.178 CC=CCC(=O)N1CCC1 527a_100000754969_100121576822 [0,1,0,1,0,0|1,0,0]=3 8570 B10R1.178 CC=CCN(C)C1CCC1 2230a_100000758072_100000070051 [0,1,0,1,0,0|2,0,0]=4 8571 B10R1.178 CC=CCN(C)C1CCC1 34a_100000758072_100000070051 [0,1,0,1,0,0|2,0,0]=4 8572 B10R1.178 CC=NNC(=O)C1CCC1 4a_100000186373_200000210099 [0,1,0,1,0,0|1,0,0]=3 8573 B10R1.178 CCC#CC(=O)C1CCC1 1458a_100011827653_100000749161 [0,1,0,1,0,0|0,0,2]=4 8574 B10R1.178 CCC=CC(=O)C1CCC1 1458a_100000212282_100000749161 [0,1,0,1,0,0|0,0,0]=2 8575 B10R1.178 CCC=CC(=O)C1COC1 1458a_100000212282_100000687716 [0,1,0,1,0,0|1,0,0]=3 8576 B10R1.178 CCC=CC(=O)N1CCC1 11a_100000754969_100000212282 [0,1,0,1,0,0|1,0,0]=3 8577 B10R1.178 CCC=CC(=O)N1CCC1 240690a_100000754969_100000212282 [0,1,0,1,0,0|1,0,0]=3 8578 B10R1.178 CCCCC(=O)C1CCC1 1458a_100000209988_100000210211 [0,1,0,1,0,0|0,0,2]=4 8579 B10R1.178 CCCCC(=O)C1CCC1 1458a_100000210183_100000749161 [0,1,0,1,0,0|0,0,2]=4 8580 B10R1.178 CCCCC(=O)C1CCO1 1458a_100000089072_100000210211 [0,1,0,1,0,0|0,0,2]=4 8581 B10R1.178 CCCCC(=O)C1COC1 1458a_100000210183_100000687716 [0,1,0,1,0,0|0,0,2]=4 8582 B10R1.178 CCCCC(=O)C1COC1 1458a_100000758290_100000210211 [0,1,0,1,0,0|0,0,2]=4 8583 B10R1.178 CCCCC(=O)N1CCC1 11a_100000754969_100000210183 [0,1,0,1,0,0|0,0,2]=4 8584 B10R1.178 CCCCC(=O)N1CCC1 240690a_100000754969_100000210183 [0,1,0,1,0,0|0,0,2]=4 8585 B10R1.178 CCCCC(=O)N1CCC1 527a_100000754969_100000210183 [0,1,0,1,0,0|0,0,2]=4 8586 B10R1.178 CCCNC(=O)C1CCC1 11a_100020643023_100000209988 [0,1,0,1,0,0|0,0,2]=4 8587 B10R1.178 CCCNC(=O)C1CCC1 1626a_100020643023_100000209988 [0,1,0,1,0,0|0,0,2]=4 8588 B10R1.178 CCCNC(=O)C1CCC1 240690a_100020643023_100000209988 [0,1,0,1,0,0|0,0,2]=4 8589 B10R1.178 CCCNC(=O)C1CCC1 527a_100020643023_100000209988 [0,1,0,1,0,0|0,0,2]=4 8590 B10R1.178 CCNCC(=O)C1CCC1 2230a_100015525214_100000686122 [0,1,0,1,0,0|0,0,2]=4 8591 B10R1.178 CCNNC(=O)C1CCC1 22a_100000756455_100000209988 [0,1,0,1,0,0|1,0,1]=4 8592 B10R1.178 CCOCC(=O)C1CCC1 1458a_100000211967_100000749161 [0,1,0,1,0,0|0,0,2]=4 8593 B10R1.178 CCOCC(=O)C1CCC1 34a_100121572206_100000686122 [0,1,0,1,0,0|0,0,2]=4 8594 B10R1.178 CCSCC(=O)C1CCC1 1458a_100000230394_100000749161 [0,1,0,1,0,0|0,0,2]=4 8595 B10R1.178 CCSCC(=O)C1CCC1 62a_100000210202_100000686122 [0,1,0,1,0,0|0,0,2]=4 8596 B10R1.178 CCSCC(=O)C1CCC1 62a_100000686122_100000210202 [0,1,0,1,0,0|0,0,2]=4 8597 B10R1.178 COC=CC(=O)C1CCC1 1458a_100016268678_100000749161 [0,1,0,1,0,0|0,0,0]=2 8598 B10R1.178 COC=CC(=O)C1COC1 1458a_100016268678_100000687716 [0,1,0,1,0,0|1,0,0]=3 8599 B10R1.178 COC=CC(=O)N1CCC1 240690a_100000754969_100016268678 [0,1,0,1,0,0|1,0,0]=3 8600 B10R1.178 COCCC(=O)C1CCC1 1458a_100000209988_100000233755 [0,1,0,1,0,0|0,0,2]=4 8601 B10R1.178 COCCC(=O)C1CCC1 1458a_100000749529_100000749161 [0,1,0,1,0,0|0,0,2]=4 8602 B10R1.178 CSCCC(=O)C1CCC1 1458a_100000174002_100000749161 [0,1,0,1,0,0|0,0,2]=4 8603 B10R1.178 CSCCC(=O)C1CCC1 1458a_100000209988_100000751147 [0,1,0,1,0,0|0,0,2]=4 8604 B10R1.178 O=C(C#CCO)C1CCC1 1458a_100000049017_100000749161 [0,1,0,1,0,0|0,0,2]=4 8605 B10R1.178 O=C(CCCF)C1CCC1 1458a_100000209988_100011934791 [0,1,0,1,0,0|0,0,2]=4 8606 B10R1.178 O=C(CCCO)C1CCC1 1458a_100000209988_100011215043 [0,1,0,1,0,0|0,0,2]=4 8607 B10R1.178 O=C(CSCF)C1CCC1 62a_100000686122_100015361967 [0,1,0,1,0,0|1,0,1]=4 8608 B10R1.178 O=C(CSCF)C1CCC1 62a_100015361967_100000686122 [0,1,0,1,0,0|1,0,1]=4 8609 B10R1.178 O=C(NCCF)C1CCC1 11a_100000724931_100000209988 [0,1,0,1,0,0|1,0,1]=4 8610 B10R1.178 O=C(NCCF)C1CCC1 1626a_100000724931_100000209988 [0,1,0,1,0,0|1,0,1]=4 8611 B10R1.178 O=C(NCCF)C1CCC1 240690a_100000724931_100000209988 [0,1,0,1,0,0|1,0,1]=4 8612 B10R1.178 O=C(NCCF)C1CCC1 527a_100000724931_100000209988 [0,1,0,1,0,0|1,0,1]=4 8613 B10R1.178 O=C(NCCO)C1CCC1 240690a_100000210304_100000209988 [0,1,0,1,0,0|1,0,1]=4 8614 B10R1.178 O=C(NCCO)C1CCC1 527a_100000210304_100000209988 [0,1,0,1,0,0|1,0,1]=4 8615 B10R1.179 CCCCC(=O)C1(CC1)C 1458a_100000756474_100000210211 [0,1,0,1,0,0|0,0,2]=4 8616 B10R1.179 CCCCC(=O)C1(CC1)F 1458a_100000055089_100000210211 [0,1,0,1,0,0|0,0,2]=4 8617 B10R1.179 CCCCC(=O)C1(CC1)O 1458a_100000241761_100000210211 [0,1,0,1,0,0|0,0,2]=4 8618 B10R1.182 C/C=C(\C)/C(=O)C1CCC1 1458a_100020587367_100000749161 [0,1,0,1,0,0|0,0,0]=2 8619 B10R1.182 C/C=C(\C)/C(=O)C1COC1 1458a_100020587367_100000687716 [0,1,0,1,0,0|1,0,0]=3 8620 B10R1.182 C/C=C(\C)/C(=O)N1CCC1 11a_100000754969_100020587367 [0,1,0,1,0,0|1,0,0]=3 8621 B10R1.182 C=CC(C)C(=O)C1CCC1 1458a_100011216780_100000749161 [0,1,0,1,0,0|0,0,2]=4 8622 B10R1.182 CCC(C)C(=O)C1CCC1 1458a_100000209988_100000758301 [0,1,0,1,0,0|0,0,2]=4 8623 B10R1.182 CCC(C)C(=O)C1CCC1 1458a_100011192722_100000749161 [0,1,0,1,0,0|0,0,2]=4 8624 B10R1.182 CCC(O)C(=O)C1CCC1 1458a_100011196387_100000749161 [0,1,0,1,0,0|0,0,2]=4 8625 B10R1.182 CCN(C)C(=O)C1CCC1 11a_100000225621_100000209988 [0,1,0,1,0,0|1,0,1]=4 8626 B10R1.182 CCN(C)C(=O)C1CCC1 1626a_100000225621_100000209988 [0,1,0,1,0,0|1,0,1]=4 8627 B10R1.182 CCN(C)C(=O)C1CCC1 240690a_100000225621_100000209988 [0,1,0,1,0,0|1,0,1]=4 8628 B10R1.182 CCN(C)C(=O)C1CCC1 527a_100000225621_100000209988 [0,1,0,1,0,0|1,0,1]=4 8629 B10R1.182 CNC(=O)C(=O)C1CCC1 1458a_100011218921_100000749161 [0,1,0,1,0,0|1,0,0]=3 8630 B10R1.182 CNC(=O)C(=O)C1COC1 1458a_100011218921_100000687716 [0,1,0,1,0,0|2,0,0]=4 8631 B10R1.182 CNC(=O)C(=O)N1CCC1 240690a_100000754969_100011218921 [0,1,0,1,0,0|2,0,0]=4 8632 B10R1.182 CNC(=O)C(=O)N1CCC1 527a_100000754969_100011218921 [0,1,0,1,0,0|2,0,0]=4 8633 B10R1.182 COC(=O)C(=O)N1CCC1 11a_100000754969_100000024059 [0,1,0,1,0,0|2,0,0]=4 8634 B10R1.182 COC(=O)C(=O)N1CCC1 240690a_100000754969_100000024059 [0,1,0,1,0,0|2,0,0]=4 8635 B10R1.182 COC(=O)C(=O)N1CCC1 527a_100000754969_100000024059 [0,1,0,1,0,0|2,0,0]=4 8636 B10R1.182 COC(C)C(=O)C1CCC1 1458a_100000743197_100000749161 [0,1,0,1,0,0|1,0,1]=4 8637 B10R1.182 CSC(C)C(=O)C1CCC1 1458a_100000149566_100000749161 [0,1,0,1,0,0|1,0,1]=4 8638 B10R1.184 C/C=C(\C)/C(=O)CC1CC1 1458a_100020587367_100000742324 [0,1,0,1,0,0|0,0,0]=2 8639 B10R1.184 C/C=C(\C)/C(=O)CC1CO1 1458a_100020587367_100011216344 [0,1,0,1,0,0|1,0,0]=3 8640 B10R1.184 C/C=C(\C)/C(=O)CC1CS1 1458a_100020587367_100000031435 [0,1,0,1,0,0|1,0,0]=3 8641 B10R1.184 C/C=C(\C)/C(=O)C[C@@H]1CO1 1458a_100020587367_100000745022 [0,1,0,1,0,0|1,0,0]=3 8642 B10R1.184 C/C=C(\C)/C(=O)NC1CC1 1626a_100000212008_100020587367 [0,1,0,1,0,0|1,0,0]=3 8643 B10R1.184 C=CC(C)C(=O)CC1CC1 1458a_100011216780_100000742324 [0,1,0,1,0,0|0,0,2]=4 8644 B10R1.184 CCC(=O)C(=O)NC1CC1 1458a_100000756273_100000210202 [0,1,0,1,0,0|1,0,1]=4 8645 B10R1.184 CCC(C)C(=O)CC1CC1 1458a_100000738066_100000758301 [0,1,0,1,0,0|0,0,2]=4 8646 B10R1.184 CCC(C)C(=O)CC1CC1 1458a_100011192722_100000742324 [0,1,0,1,0,0|0,0,2]=4 8647 B10R1.184 CCC(O)C(=O)CC1CC1 1458a_100011196387_100000742324 [0,1,0,1,0,0|0,0,2]=4 8648 B10R1.184 CCN(C)C(=O)CC1CC1 11a_100000225621_100000738066 [0,1,0,1,0,0|1,0,1]=4 8649 B10R1.184 CCN(C)C(=O)CC1CC1 1626a_100000225621_100000738066 [0,1,0,1,0,0|1,0,1]=4 8650 B10R1.184 CCN(C)C(=O)CC1CC1 240690a_100000225621_100000738066 [0,1,0,1,0,0|1,0,1]=4 8651 B10R1.184 CCN(C)C(=O)CC1CC1 527a_100000225621_100000738066 [0,1,0,1,0,0|1,0,1]=4 8652 B10R1.184 CNC(=O)C(=O)CC1CC1 1458a_100011218921_100000742324 [0,1,0,1,0,0|1,0,0]=3 8653 B10R1.184 CNC(=O)C(=O)CC1CO1 1458a_100011218921_100011216344 [0,1,0,1,0,0|2,0,0]=4 8654 B10R1.184 CNC(=O)C(=O)CC1CS1 1458a_100011218921_100000031435 [0,1,0,1,0,0|2,0,0]=4 8655 B10R1.184 CNC(=O)C(=O)C[C@@H]1CO1 1458a_100011218921_100000745022 [0,1,0,1,0,0|2,0,0]=4 8656 B10R1.184 CNC(=O)C(=O)NC1CC1 1626a_100000212008_100011218921 [0,1,0,1,0,0|2,0,0]=4 8657 B10R1.184 CNC(=O)C(=O)NC1CC1 1626a_100102657272_100000756273 [0,1,0,1,0,0|2,0,0]=4 8658 B10R1.184 CNC(=O)C(=O)NC1CC1 240690a_100000212008_100011218921 [0,1,0,1,0,0|2,0,0]=4 8659 B10R1.184 CNC(=O)C(=O)NC1CC1 240690a_100102657272_100000756273 [0,1,0,1,0,0|2,0,0]=4 8660 B10R1.184 CNC(=O)C(=O)NC1CC1 527a_100000212008_100011218921 [0,1,0,1,0,0|2,0,0]=4 8661 B10R1.184 COC(=O)C(=O)NC1CC1 1626a_100000212008_100000024059 [0,1,0,1,0,0|2,0,0]=4 8662 B10R1.184 COC(=O)C(=O)NC1CC1 240690a_100000212008_100000024059 [0,1,0,1,0,0|2,0,0]=4 8663 B10R1.184 COC(=O)C(=O)NC1CC1 527a_100000212008_100000024059 [0,1,0,1,0,0|2,0,0]=4 8664 B10R1.184 COC(C)C(=O)CC1CC1 1458a_100000743197_100000742324 [0,1,0,1,0,0|1,0,1]=4 8665 B10R1.184 CSC(C)C(=O)CC1CC1 1458a_100000149566_100000742324 [0,1,0,1,0,0|1,0,1]=4 8666 B10R1.264 CCOC1C(=O)C(=O)C1=O 7a_100010658403_100000210202 [0,1,0,1,0,0|2,0,0]=4 8667 B10R1.461 CCC(C)C(=O)C1CC1C 1458a_100000211227_100000758301 [0,1,0,1,0,0|0,0,2]=4 8668 B10R1.461 CCN(C)C(=O)C1CC1C 11a_100000225621_100000211227 [0,1,0,1,0,0|1,0,1]=4 8669 B10R1.461 CCN(C)C(=O)C1CC1C 1626a_100000225621_100000211227 [0,1,0,1,0,0|1,0,1]=4 8670 B10R1.461 CCN(C)C(=O)C1CC1C 527a_100000225621_100000211227 [0,1,0,1,0,0|1,0,1]=4 8671 B10R1.4 CCOC1CCCCC1=O 34a_100011214950_100000210202 [0,1,0,1,0,0|0,0,2]=4 8672 B10R1.4 CCOC1CCCCC1=O 34a_100121572206_100000754470 [0,1,0,1,0,0|0,0,2]=4 8673 B10R1.4 CCSC1CCCCC1=O 62a_100000204591_100000210202 [0,1,0,1,0,0|0,0,2]=4 8674 B10R1.4 CCSC1CCCCC1=O 62a_100000210202_100000204591 [0,1,0,1,0,0|0,0,2]=4 8675 B10R1.4 COCC1CCCCC1=O 34a_100009861125_200000210301 [0,1,0,1,0,0|0,0,2]=4 8676 B10R1.4 COCC1CCCCC1=O 7a_100009861125_200000210301 [0,1,0,1,0,0|0,0,2]=4 8677 B10R1.4 O=C1CCCCC1OCF 34a_100011214950_100015361967 [0,1,0,1,0,0|1,0,1]=4 8678 B10R1.4 O=C1CCCCC1SCF 62a_100000204591_100015361967 [0,1,0,1,0,0|1,0,1]=4 8679 B10R1.4 O=C1CCCCC1SCF 62a_100015361967_100000204591 [0,1,0,1,0,0|1,0,1]=4 8680 B10R1.4 [13CH3]OCC1CCCCC1=O 34a_100009861125_200025704644 [0,1,0,1,0,0|0,0,2]=4 8681 B10R1.4 [13CH3]OCC1CCCCC1=O 7a_100009861125_200025704644 [0,1,0,1,0,0|0,0,2]=4 8682 B10R1.17 CCCCN1CC=CCC1 2230a_100000698166_100000210211 [0,1,0,1,0,0|2,0,0]=4 8683 B10R1.17 CCCCN1CC=CCC1 269982a_100000698166_100000210211 [0,1,0,1,0,0|2,0,0]=4 8684 B10R1.17 CCCCN1CC=CCC1 34a_100000698166_100000210210 [0,1,0,1,0,0|2,0,0]=4 8685 B10R1.17 CCCCc1ccccc1 271570a_100020621405_100000210277 [0,1,0,1,0,0|1,0,1]=4 8686 B10R1.17 CCCCc1ccccn1 271570a_100020621405_100011216584 [0,1,0,1,0,0|1,0,1]=4 8687 B10R1.17 CCCCc1cccnc1 271570a_100020621405_100000752921 [0,1,0,1,0,0|1,0,1]=4 8688 B10R1.17 CCCCc1cccnn1 271570a_100020621405_100016991348 [0,1,0,1,0,0|1,0,1]=4 8689 B10R1.17 CCCCc1ccncc1 271570a_100020621405_100000035832 [0,1,0,1,0,0|1,0,1]=4 8690 B10R1.17 CCCCc1ccncn1 271570a_100020621405_100000703185 [0,1,0,1,0,0|1,0,1]=4 8691 B10R1.17 CCCCc1ccnnc1 271570a_100020621405_100000732662 [0,1,0,1,0,0|2,0,0]=4 8692 B10R1.17 CCCCc1cnccn1 271570a_100020621405_100000758340 [0,1,0,1,0,0|1,0,1]=4 8693 B10R1.17 CCCCc1cncnc1 271570a_100020621405_100011206942 [0,1,0,1,0,0|2,0,0]=4 8694 B10R1.17 CCCCc1ncccn1 271570a_100020621405_100000211032 [0,1,0,1,0,0|1,0,1]=4 8695 B10R1.143 C/C=C/CN1CC(C1)CC 269982a_100015205115_100102629194 [0,1,0,1,0,0|2,0,0]=4 8696 B10R1.143 CC=CCN1CC(C1)CC 2230a_100015205115_100000070051 [0,1,0,1,0,0|2,0,0]=4 8697 B10R1.187 CCNC1C(=O)NN=C1C 2230a_100015525214_200009843013 [0,1,0,1,0,0|2,0,0]=4 8698 B10R1.187 CCSC1C(=O)NN=C1C 62a_100000210202_200009843013 [0,1,0,1,0,0|2,0,0]=4 8699 B10R1.134 CCC(C)CC(=O)C1CC1 1458a_100000210395_100000748023 [0,1,0,1,0,0|0,0,2]=4 8700 B10R1.134 CCC(C)CC(=O)C1CO1 1458a_100000701028_100000748023 [0,1,0,1,0,0|1,0,1]=4 8701 B10R1.134 CCC(O)CC(=O)C1CC1 1458a_100000210395_100011218378 [0,1,0,1,0,0|0,0,2]=4 8702 B10R1.134 CCC(O)CC(=O)C1CO1 1458a_100000701028_100011218378 [0,1,0,1,0,0|1,0,1]=4 8703 B10R1.134 CC[C@H](C)CC(=O)C1CC1 1458a_100000210395_100009816398 [0,1,0,1,0,0|0,0,2]=4 8704 B10R1.134 CC[C@H](C)CC(=O)C1CO1 1458a_100000701028_100009816398 [0,1,0,1,0,0|1,0,1]=4 8705 B10R1.181 C=CCC(=O)CC1(CC1)C 1458a_100000112800_100000210623 [0,1,0,1,0,0|0,0,2]=4 8706 B10R1.181 CC1(CC1)NC(=O)C=CBr 1626a_100000757604_100016273825 [0,1,0,1,0,0|2,0,0]=4 8707 B10R1.181 CC1(CC1)NC(=O)C=CBr 240690a_100000757604_100016273825 [0,1,0,1,0,0|2,0,0]=4 8708 B10R1.181 CC1(CC1)NC(=O)C=CCl 11a_100000757604_200016279998 [0,1,0,1,0,0|2,0,0]=4 8709 B10R1.181 CC1(CC1)NC(=O)C=CCl 1626a_100000757604_200016279998 [0,1,0,1,0,0|2,0,0]=4 8710 B10R1.181 CC1(CC1)NC(=O)C=CCl 240690a_100000757604_200016279998 [0,1,0,1,0,0|2,0,0]=4 8711 B10R1.181 CC1(CC1)NC(=O)C=CI 1626a_100000757604_100016256311 [0,1,0,1,0,0|2,0,0]=4 8712 B10R1.181 CC1(CO1)CC(=O)C=CBr 1458a_100016273825_100000760498 [0,1,0,1,0,0|2,0,0]=4 8713 B10R1.181 CC1(CO1)CC(=O)C=CCl 1458a_200016279998_100000760498 [0,1,0,1,0,0|2,0,0]=4 8714 B10R1.181 CC1(CO1)CC(=O)C=CI 1458a_100016256311_100000760498 [0,1,0,1,0,0|2,0,0]=4 8715 B10R1.181 CC=CC(=O)CC1(CO1)C 1458a_100000210699_100000760498 [0,1,0,1,0,0|1,0,0]=3 8716 B10R1.181 CC=CC(=O)NC1(CC1)C 11a_100000757604_100000210699 [0,1,0,1,0,0|1,0,0]=3 8717 B10R1.181 CC=CC(=O)NC1(CC1)C 1626a_100000757604_100000210699 [0,1,0,1,0,0|1,0,0]=3 8718 B10R1.181 CC=CC(=O)NC1(CC1)C 240690a_100000757604_100000210699 [0,1,0,1,0,0|1,0,0]=3 8719 B10R1.181 CCCC(=O)CC1(CC1)C 1458a_100000112800_100000210303 [0,1,0,1,0,0|0,0,2]=4 8720 B10R1.181 CCNC(=O)CC1(CC1)C 11a_100015525214_100000112800 [0,1,0,1,0,0|1,0,1]=4 8721 B10R1.181 CCNC(=O)CC1(CC1)C 240690a_100015525214_100000112800 [0,1,0,1,0,0|1,0,1]=4 8722 B10R1.181 CCNC(=O)CC1(CC1)C 527a_100015525214_100000112800 [0,1,0,1,0,0|1,0,1]=4 8723 B10R1.181 CNNC(=O)CC1(CC1)C 22a_100016993582_100000112800 [0,1,0,1,0,0|2,0,0]=4 8724 B10R1.140 C=CCC(=O)C1CC(C1)C 1458a_100000686124_100000210623 [0,1,0,1,0,0|0,0,2]=4 8725 B10R1.140 C=CCC(=O)C1CC(C1)F 1458a_100000062598_100000210623 [0,1,0,1,0,0|0,0,2]=4 8726 B10R1.140 C=CCC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100000210623 [0,1,0,1,0,0|0,0,2]=4 8727 B10R1.140 CC1CN(C1)C(=O)C=CBr 240690a_100000702820_100016273825 [0,1,0,1,0,0|2,0,0]=4 8728 B10R1.140 CC1CN(C1)C(=O)C=CCl 11a_100000702820_200016279998 [0,1,0,1,0,0|2,0,0]=4 8729 B10R1.140 CC1CN(C1)C(=O)C=CCl 240690a_100000702820_200016279998 [0,1,0,1,0,0|2,0,0]=4 8730 B10R1.140 CC=CC(=O)N1CC(C1)C 11a_100000702820_100000210699 [0,1,0,1,0,0|1,0,0]=3 8731 B10R1.140 CC=CC(=O)N1CC(C1)C 240690a_100000702820_100000210699 [0,1,0,1,0,0|1,0,0]=3 8732 B10R1.140 CC=CC(=O)N1CC(C1)F 11a_100000690557_100000210699 [0,1,0,1,0,0|1,0,0]=3 8733 B10R1.140 CC=CC(=O)N1CC(C1)F 240690a_100000690557_100000210699 [0,1,0,1,0,0|1,0,0]=3 8734 B10R1.140 CC=CC(=O)N1CC(C1)O 11a_100000749847_100000210699 [0,1,0,1,0,0|1,0,0]=3 8735 B10R1.140 CC=CC(=O)N1CC(C1)O 240690a_100000749847_100000210699 [0,1,0,1,0,0|1,0,0]=3 8736 B10R1.140 CCCC(=O)C1CC(C1)C 1458a_100000686124_100000210303 [0,1,0,1,0,0|0,0,2]=4 8737 B10R1.140 CCCC(=O)C1CC(C1)F 1458a_100000062598_100000210303 [0,1,0,1,0,0|0,0,2]=4 8738 B10R1.140 CCCC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100000210303 [0,1,0,1,0,0|0,0,2]=4 8739 B10R1.140 CCNC(=O)C1CC(C1)C 11a_100015525214_100000686124 [0,1,0,1,0,0|1,0,1]=4 8740 B10R1.140 CCNC(=O)C1CC(C1)C 240690a_100015525214_100000686124 [0,1,0,1,0,0|1,0,1]=4 8741 B10R1.140 CCNC(=O)C1CC(C1)C 527a_100015525214_100000686124 [0,1,0,1,0,0|1,0,1]=4 8742 B10R1.140 CCNC(=O)C1CC(C1)F 11a_100015525214_100000062598 [0,1,0,1,0,0|1,0,1]=4 8743 B10R1.140 CCNC(=O)C1CC(C1)F 240690a_100015525214_100000062598 [0,1,0,1,0,0|1,0,1]=4 8744 B10R1.140 CCNC(=O)C1CC(C1)F 527a_100015525214_100000062598 [0,1,0,1,0,0|1,0,1]=4 8745 B10R1.140 CCNC(=O)[C@H]1C[C@H](C1)O 240690a_100015525214_100015266633 [0,1,0,1,0,0|1,0,1]=4 8746 B10R1.140 CCNC(=O)[C@H]1C[C@H](C1)O 527a_100015525214_100015266633 [0,1,0,1,0,0|1,0,1]=4 8747 B10R1.140 CNNC(=O)C1CC(C1)C 22a_100016993582_100000686124 [0,1,0,1,0,0|2,0,0]=4 8748 B10R1.140 CNNC(=O)C1CC(C1)F 22a_100016993582_100000062598 [0,1,0,1,0,0|2,0,0]=4 8749 B10R1.140 CNNC(=O)[C@H]1C[C@H](C1)O 22a_100016993582_100015266633 [0,1,0,1,0,0|2,0,0]=4 8750 B10R1.140 O=C(C=CBr)N1CC(C1)F 240690a_100000690557_100016273825 [0,1,0,1,0,0|2,0,0]=4 8751 B10R1.140 O=C(C=CBr)N1CC(C1)O 240690a_100000749847_100016273825 [0,1,0,1,0,0|2,0,0]=4 8752 B10R1.140 O=C(C=CCl)N1CC(C1)F 11a_100000690557_200016279998 [0,1,0,1,0,0|2,0,0]=4 8753 B10R1.140 O=C(C=CCl)N1CC(C1)F 240690a_100000690557_200016279998 [0,1,0,1,0,0|2,0,0]=4 8754 B10R1.140 O=C(C=CCl)N1CC(C1)O 11a_100000749847_200016279998 [0,1,0,1,0,0|2,0,0]=4 8755 B10R1.140 O=C(C=CCl)N1CC(C1)O 240690a_100000749847_200016279998 [0,1,0,1,0,0|2,0,0]=4 8756 B10R1.212 CC=CC(=O)N(C)C1CC1 11a_100000226674_100000210699 [0,1,0,1,0,0|1,0,0]=3 8757 B10R1.212 CC=CC(=O)N(C)C1CC1 1626a_100000226674_100000210699 [0,1,0,1,0,0|1,0,0]=3 8758 B10R1.212 CC=CC(=O)N(C)C1CC1 240690a_100000226674_100000210699 [0,1,0,1,0,0|1,0,0]=3 8759 B10R1.212 CCCC(C)C(=O)C1CC1 1458a_100000210395_100000766640 [0,1,0,1,0,0|0,0,2]=4 8760 B10R1.212 CCCC(C)C(=O)C1CO1 1458a_100000701028_100000766640 [0,1,0,1,0,0|1,0,1]=4 8761 B10R1.212 CN(C(=O)C=CBr)C1CC1 1626a_100000226674_100016273825 [0,1,0,1,0,0|2,0,0]=4 8762 B10R1.212 CN(C(=O)C=CBr)C1CC1 240690a_100000226674_100016273825 [0,1,0,1,0,0|2,0,0]=4 8763 B10R1.212 CN(C(=O)C=CCl)C1CC1 11a_100000226674_200016279998 [0,1,0,1,0,0|2,0,0]=4 8764 B10R1.212 CN(C(=O)C=CCl)C1CC1 1626a_100000226674_200016279998 [0,1,0,1,0,0|2,0,0]=4 8765 B10R1.212 CN(C(=O)C=CCl)C1CC1 240690a_100000226674_200016279998 [0,1,0,1,0,0|2,0,0]=4 8766 B10R1.212 CN(C(=O)C=CI)C1CC1 1626a_100000226674_100016256311 [0,1,0,1,0,0|2,0,0]=4 8767 B10R1.401 C=CCC(=O)C1(CCC1)C 1458a_100000684636_100000210623 [0,1,0,1,0,0|0,0,2]=4 8768 B10R1.401 C=CCC(=O)C1(CCC1)O 1458a_100000242746_100000210623 [0,1,0,1,0,0|0,0,2]=4 8769 B10R1.401 CCCC(=O)C1(CCC1)C 1458a_100000684636_100000210303 [0,1,0,1,0,0|0,0,2]=4 8770 B10R1.401 CCCC(=O)C1(CCC1)O 1458a_100000242746_100000210303 [0,1,0,1,0,0|0,0,2]=4 8771 B10R1.401 CCNC(=O)C1(CCC1)C 11a_100015525214_100000684636 [0,1,0,1,0,0|1,0,1]=4 8772 B10R1.401 CCNC(=O)C1(CCC1)C 240690a_100015525214_100000684636 [0,1,0,1,0,0|1,0,1]=4 8773 B10R1.401 CCNC(=O)C1(CCC1)C 527a_100015525214_100000684636 [0,1,0,1,0,0|1,0,1]=4 8774 B10R1.401 CCNC(=O)C1(CCC1)O 240690a_100015525214_100000242746 [0,1,0,1,0,0|1,0,1]=4 8775 B10R1.401 CNNC(=O)C1(CCC1)C 22a_100016993582_100000684636 [0,1,0,1,0,0|2,0,0]=4 8776 B10R1.401 CNNC(=O)C1(CCC1)O 22a_100016993582_100000242746 [0,1,0,1,0,0|2,0,0]=4 8777 B10R1.161 COC1C=CCCCCC1 34a_100000688657_200000210301 [0,1,0,1,0,0|0,0,2]=4 8778 B10R1.161 [13CH3]OC1C=CCCCCC1 34a_100000688657_200025704644 [0,1,0,1,0,0|0,0,2]=4 8779 B10R1.211 CC(C)CCC(=O)C1CC1 1458a_100000210395_100000210312 [0,1,0,1,0,0|0,0,2]=4 8780 B10R1.211 CC(C)CCC(=O)C1CO1 1458a_100000701028_100000210312 [0,1,0,1,0,0|1,0,1]=4 8781 B10R1.211 CC(O)CCC(=O)C1CC1 1458a_100000210395_100012276601 [0,1,0,1,0,0|0,0,2]=4 8782 B10R1.211 CC(O)CCC(=O)C1CO1 1458a_100000701028_100012276601 [0,1,0,1,0,0|1,0,1]=4 8783 B10R1.400 C=CCC(=O)[C@H]1CC1(C)C 1458a_100000692687_100000210623 [0,1,0,1,0,0|0,0,2]=4 8784 B10R1.400 CCCC(=O)[C@H]1CC1(C)C 1458a_100000692687_100000210303 [0,1,0,1,0,0|0,0,2]=4 8785 B10R1.400 CCNC(=O)[C@H]1CC1(C)C 11a_100015525214_100000692687 [0,1,0,1,0,0|1,0,1]=4 8786 B10R1.400 CCNC(=O)[C@H]1CC1(C)C 240690a_100015525214_100000692687 [0,1,0,1,0,0|1,0,1]=4 8787 B10R1.400 CCNC(=O)[C@H]1CC1(C)C 527a_100015525214_100000692687 [0,1,0,1,0,0|1,0,1]=4 8788 B10R1.400 CNNC(=O)[C@H]1CC1(C)C 22a_100016993582_100000692687 [0,1,0,1,0,0|2,0,0]=4 8789 B10R2.406 O=C(C1CCC1)C2CC2 1458a_100000210395_100000749161 [0,0,0,2,0,0|0,0,2]=4 8790 B10R2.406 O=C(C1CCC1)C2CO2 1458a_100000701028_100000749161 [0,0,0,2,0,0|1,0,1]=4 8791 B10R2.485 O=C(CC1CC1)C2CC2 1458a_100000210395_100000742324 [0,0,0,2,0,0|0,0,2]=4 8792 B10R2.485 O=C(CC1CC1)C2CO2 1458a_100000701028_100000742324 [0,0,0,2,0,0|1,0,1]=4